Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
518946 | 2kmz RC | 17237 | cing | 1-original | 14 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HT1 GLU 1 -5.969 -17.185 8.327
2 H2 GLU 1 HT2 GLU 1 -6.811 -18.647 8.016
3 H3 GLU 1 HT3 GLU 1 -6.588 -18.110 9.630
4 HA GLU 1 HA GLU 1 -8.060 -16.571 7.610
5 HB2 GLU 1 HB2 GLU 1 -8.759 -19.059 8.794
6 HB3 GLU 1 HB1 GLU 1 -9.753 -17.824 9.554
7 HG2 GLU 1 HG2 GLU 1 -11.109 -18.145 7.814
8 HG3 GLU 1 HG1 GLU 1 -9.962 -17.130 6.941
9 H GLN 2 HN GLN 2 -7.797 -17.428 11.066
10 HA GLN 2 HA GLN 2 -8.875 -14.935 11.941
11 HB2 GLN 2 HB2 GLN 2 -8.359 -17.415 13.103
12 HB3 GLN 2 HB1 GLN 2 -7.265 -16.316 13.930
13 HG2 GLN 2 HG2 GLN 2 -8.920 -15.552 15.174
14 HG3 GLN 2 HG1 GLN 2 -9.826 -15.085 13.736
15 HE21 GLN 2 HE21 GLN 2 -10.571 -16.322 16.380
16 HE22 GLN 2 HE22 GLN 2 -11.522 -17.700 15.954
17 H ALA 3 HN ALA 3 -7.869 -13.045 12.138
18 HA ALA 3 HA ALA 3 -5.144 -12.837 12.984
19 HB1 ALA 3 HB1 ALA 3 -4.506 -13.289 10.786
20 HB2 ALA 3 HB2 ALA 3 -4.484 -11.528 10.877
21 HB3 ALA 3 HB3 ALA 3 -5.839 -12.354 10.108
22 HA PRO 4 HA PRO 4 -6.757 -9.008 14.506
23 HB2 PRO 4 HB2 PRO 4 -4.000 -7.955 14.293
24 HB3 PRO 4 HB1 PRO 4 -5.035 -8.115 15.714
25 HG2 PRO 4 HG2 PRO 4 -2.938 -9.730 15.338
26 HG3 PRO 4 HG1 PRO 4 -4.445 -10.325 16.058
27 HD2 PRO 4 HD2 PRO 4 -3.416 -10.659 13.266
28 HD3 PRO 4 HD1 PRO 4 -4.244 -11.832 14.312
29 H GLY 5 HN GLY 5 -7.786 -8.744 12.312
30 HA2 GLY 5 HA2 GLY 5 -8.261 -6.648 11.124
31 HA3 GLY 5 HA1 GLY 5 -6.527 -6.467 10.911
32 H THR 6 HN THR 6 -5.951 -6.778 8.885
33 HA THR 6 HA THR 6 -6.014 -7.419 6.698
34 HB THR 6 HB THR 6 -4.729 -9.230 7.306
35 HG1 THR 6 HG1 THR 6 -5.371 -10.320 5.657
36 HG21 THR 6 HG21 THR 6 -5.732 -9.722 9.470
37 HG22 THR 6 HG22 THR 6 -5.466 -11.190 8.529
38 HG23 THR 6 HG23 THR 6 -7.088 -10.511 8.662
39 H ALA 7 HN ALA 7 -7.693 -6.730 5.577
40 HA ALA 7 HA ALA 7 -10.233 -8.207 5.769
41 HB1 ALA 7 HB1 ALA 7 -10.931 -6.090 6.159
42 HB2 ALA 7 HB2 ALA 7 -10.934 -6.014 4.397
43 HB3 ALA 7 HB3 ALA 7 -9.569 -5.365 5.306
44 HA PRO 8 HA PRO 8 -9.854 -9.557 1.583
45 HB2 PRO 8 HB2 PRO 8 -12.392 -9.614 0.721
46 HB3 PRO 8 HB1 PRO 8 -11.829 -10.685 2.011
47 HG2 PRO 8 HG2 PRO 8 -13.376 -8.130 2.210
48 HG3 PRO 8 HG1 PRO 8 -13.606 -9.649 3.095
49 HD2 PRO 8 HD2 PRO 8 -12.293 -7.466 4.114
50 HD3 PRO 8 HD1 PRO 8 -11.990 -9.136 4.633
51 H CYS 9 HN CYS 9 -9.018 -6.976 1.580
52 HA CYS 9 HA CYS 9 -8.796 -5.082 0.333
53 HB2 CYS 9 HB2 CYS 9 -9.084 -7.298 -1.425
54 HB3 CYS 9 HB1 CYS 9 -9.938 -5.938 -2.147
55 H SER 10 HN SER 10 -10.207 -3.641 1.238
56 HA SER 10 HA SER 10 -12.584 -3.042 -0.307
57 HB2 SER 10 HB2 SER 10 -14.135 -3.113 1.524
58 HB3 SER 10 HB1 SER 10 -13.313 -4.672 1.474
59 HG SER 10 HG SER 10 -13.111 -4.157 3.545
60 H ARG 11 HN ARG 11 -12.640 -0.920 -0.612
61 HA ARG 11 HA ARG 11 -12.263 1.311 -0.380
62 HB2 ARG 11 HB2 ARG 11 -13.061 0.349 2.227
63 HB3 ARG 11 HB1 ARG 11 -11.959 1.710 2.382
64 HG2 ARG 11 HG2 ARG 11 -14.064 2.689 2.337
65 HG3 ARG 11 HG1 ARG 11 -13.473 2.887 0.686
66 HD2 ARG 11 HD2 ARG 11 -15.169 0.544 1.494
67 HD3 ARG 11 HD1 ARG 11 -15.882 2.080 1.004
68 HE ARG 11 HE ARG 11 -14.152 1.481 -1.009
69 HH11 ARG 11 HH11 ARG 11 -16.802 -0.209 0.507
70 HH12 ARG 11 HH12 ARG 11 -17.227 -1.084 -0.926
71 HH21 ARG 11 HH21 ARG 11 -14.710 0.333 -2.894
72 HH22 ARG 11 HH22 ARG 11 -16.040 -0.777 -2.857
73 H GLY 12 HN GLY 12 -10.228 1.368 -1.326
74 HA2 GLY 12 HA2 GLY 12 -8.053 2.203 -1.260
75 HA3 GLY 12 HA1 GLY 12 -8.079 2.065 0.491
76 H SER 13 HN SER 13 -6.921 0.484 1.381
77 HA SER 13 HA SER 13 -5.432 -1.238 1.529
78 HB2 SER 13 HB2 SER 13 -7.654 -2.392 1.467
79 HB3 SER 13 HB1 SER 13 -7.424 -2.639 -0.264
80 HG SER 13 HG SER 13 -6.649 -4.251 1.557
81 H SER 14 HN SER 14 -4.547 -3.217 -0.068
82 HA SER 14 HA SER 14 -3.954 -2.294 -2.708
83 HB2 SER 14 HB2 SER 14 -2.373 -0.912 -1.471
84 HB3 SER 14 HB1 SER 14 -1.752 -2.335 -0.635
85 HG SER 14 HG SER 14 -1.078 -3.123 -2.696
86 H TRP 15 HN TRP 15 -3.247 -3.911 -4.031
87 HA TRP 15 HA TRP 15 -3.506 -6.591 -3.053
88 HB2 TRP 15 HB2 TRP 15 -4.339 -6.411 -5.203
89 HB3 TRP 15 HB1 TRP 15 -3.078 -5.297 -5.713
90 HD1 TRP 15 HD1 TRP 15 -0.951 -6.309 -6.855
91 HE1 TRP 15 HE1 TRP 15 -0.299 -8.679 -7.615
92 HE3 TRP 15 HE3 TRP 15 -4.638 -8.962 -4.508
93 HZ2 TRP 15 HZ2 TRP 15 -1.224 -11.318 -7.265
94 HZ3 TRP 15 HZ3 TRP 15 -4.685 -11.406 -4.774
95 HH2 TRP 15 HH2 TRP 15 -3.011 -12.560 -6.126
96 H SER 16 HN SER 16 -1.834 -8.277 -3.569
97 HA SER 16 HA SER 16 0.890 -7.268 -3.390
98 HB2 SER 16 HB2 SER 16 0.139 -9.621 -1.710
99 HB3 SER 16 HB1 SER 16 1.434 -8.448 -1.474
100 HG SER 16 HG SER 16 -0.777 -8.432 -0.217
101 H ALA 17 HN ALA 17 2.148 -8.185 -4.867
102 HA ALA 17 HA ALA 17 1.219 -10.596 -6.218
103 HB1 ALA 17 HB1 ALA 17 3.718 -9.315 -7.110
104 HB2 ALA 17 HB2 ALA 17 2.263 -8.325 -7.219
105 HB3 ALA 17 HB3 ALA 17 2.334 -9.882 -8.044
106 H ASP 18 HN ASP 18 3.622 -9.589 -3.949
107 HA ASP 18 HA ASP 18 5.620 -11.479 -4.330
108 HB2 ASP 18 HB2 ASP 18 5.363 -9.478 -2.618
109 HB3 ASP 18 HB1 ASP 18 4.820 -10.763 -1.543
110 H LEU 19 HN LEU 19 2.494 -11.788 -2.762
111 HA LEU 19 HA LEU 19 2.870 -14.686 -2.708
112 HB2 LEU 19 HB2 LEU 19 1.607 -14.606 -0.436
113 HB3 LEU 19 HB1 LEU 19 3.342 -14.358 -0.480
114 HG LEU 19 HG LEU 19 2.786 -11.842 -0.544
115 HD11 LEU 19 HD11 LEU 19 0.187 -12.873 0.580
116 HD12 LEU 19 HD12 LEU 19 0.379 -12.183 -1.032
117 HD13 LEU 19 HD13 LEU 19 0.675 -11.188 0.394
118 HD21 LEU 19 HD21 LEU 19 2.537 -11.796 1.926
119 HD22 LEU 19 HD22 LEU 19 3.822 -12.866 1.366
120 HD23 LEU 19 HD23 LEU 19 2.280 -13.540 1.895
121 H ASP 20 HN ASP 20 1.287 -12.610 -4.236
122 HA ASP 20 HA ASP 20 -0.841 -12.215 -4.986
123 HB2 ASP 20 HB2 ASP 20 -2.008 -14.283 -5.678
124 HB3 ASP 20 HB1 ASP 20 -0.299 -14.305 -6.102
125 H LYS 21 HN LYS 21 -1.541 -11.086 -3.082
126 HA LYS 21 HA LYS 21 -3.978 -12.067 -2.061
127 HB2 LYS 21 HB2 LYS 21 -1.750 -13.010 -0.662
128 HB3 LYS 21 HB1 LYS 21 -2.370 -11.694 0.325
129 HG2 LYS 21 HG2 LYS 21 -4.458 -12.734 0.592
130 HG3 LYS 21 HG1 LYS 21 -4.144 -13.880 -0.713
131 HD2 LYS 21 HD2 LYS 21 -2.996 -15.275 0.627
132 HD3 LYS 21 HD1 LYS 21 -2.182 -13.953 1.466
133 HE2 LYS 21 HE2 LYS 21 -4.766 -13.685 2.325
134 HE3 LYS 21 HE1 LYS 21 -4.601 -15.434 2.182
135 HZ1 LYS 21 HZ1 LYS 21 -2.410 -14.041 3.490
136 HZ2 LYS 21 HZ2 LYS 21 -3.132 -15.522 3.870
137 HZ3 LYS 21 HZ3 LYS 21 -3.874 -14.077 4.338
138 H CYS 22 HN CYS 22 -5.196 -10.453 -1.153
139 HA CYS 22 HA CYS 22 -4.183 -7.774 -1.467
140 HB2 CYS 22 HB2 CYS 22 -6.798 -9.054 -1.187
141 HB3 CYS 22 HB1 CYS 22 -6.678 -7.540 -0.297
142 H MET 23 HN MET 23 -4.369 -6.131 0.215
143 HA MET 23 HA MET 23 -4.650 -6.873 2.945
144 HB2 MET 23 HB2 MET 23 -2.155 -7.420 1.889
145 HB3 MET 23 HB1 MET 23 -1.931 -5.849 2.646
146 HG2 MET 23 HG2 MET 23 -3.363 -7.847 4.261
147 HG3 MET 23 HG1 MET 23 -1.668 -8.198 3.926
148 HE1 MET 23 HE1 MET 23 -0.969 -7.643 6.992
149 HE2 MET 23 HE2 MET 23 -2.567 -8.209 6.508
150 HE3 MET 23 HE3 MET 23 -2.411 -6.803 7.561
151 H ASP 24 HN ASP 24 -5.237 -5.140 4.097
152 HA ASP 24 HA ASP 24 -5.668 -2.656 2.880
153 HB2 ASP 24 HB2 ASP 24 -6.532 -3.841 5.173
154 HB3 ASP 24 HB1 ASP 24 -5.424 -2.635 5.820
155 H CYS 25 HN CYS 25 -4.860 -0.567 4.100
156 HA CYS 25 HA CYS 25 -1.951 -0.609 3.852
157 HB2 CYS 25 HB2 CYS 25 -3.988 1.611 3.876
158 HB3 CYS 25 HB1 CYS 25 -2.258 1.924 3.954
159 H ALA 26 HN ALA 26 -4.066 -1.053 6.305
160 HA ALA 26 HA ALA 26 -2.786 0.626 8.286
161 HB1 ALA 26 HB1 ALA 26 -5.134 -1.178 8.220
162 HB2 ALA 26 HB2 ALA 26 -4.969 0.447 8.885
163 HB3 ALA 26 HB3 ALA 26 -4.341 -0.938 9.777
164 H SER 27 HN SER 27 -0.764 -0.739 7.344
165 HA SER 27 HA SER 27 0.251 -2.159 9.542
166 HB2 SER 27 HB2 SER 27 -1.402 -3.838 8.422
167 HB3 SER 27 HB1 SER 27 -0.131 -4.015 7.213
168 HG SER 27 HG SER 27 -0.012 -5.526 8.991
169 H CYS 28 HN CYS 28 1.022 -0.059 7.750
170 HA CYS 28 HA CYS 28 3.699 -0.866 7.230
171 HB2 CYS 28 HB2 CYS 28 1.972 -1.430 5.182
172 HB3 CYS 28 HB1 CYS 28 2.559 0.165 4.729
173 H ARG 29 HN ARG 29 2.684 1.078 8.876
174 HA ARG 29 HA ARG 29 3.147 3.606 7.454
175 HB2 ARG 29 HB2 ARG 29 1.190 2.898 9.271
176 HB3 ARG 29 HB1 ARG 29 2.330 3.806 10.254
177 HG2 ARG 29 HG2 ARG 29 1.755 5.753 9.328
178 HG3 ARG 29 HG1 ARG 29 1.728 5.078 7.698
179 HD2 ARG 29 HD2 ARG 29 -0.468 3.940 8.477
180 HD3 ARG 29 HD1 ARG 29 -0.449 5.157 9.753
181 HE ARG 29 HE ARG 29 -1.155 6.677 8.214
182 HH11 ARG 29 HH11 ARG 29 0.397 4.054 6.512
183 HH12 ARG 29 HH12 ARG 29 0.030 4.689 4.944
184 HH21 ARG 29 HH21 ARG 29 -1.639 7.513 6.151
185 HH22 ARG 29 HH22 ARG 29 -1.125 6.653 4.738
186 H ALA 30 HN ALA 30 5.258 1.700 8.296
187 HA ALA 30 HA ALA 30 7.182 3.517 9.171
188 HB1 ALA 30 HB1 ALA 30 6.863 1.705 11.459
189 HB2 ALA 30 HB2 ALA 30 5.594 2.918 11.289
190 HB3 ALA 30 HB3 ALA 30 7.280 3.418 11.413
191 H ARG 31 HN ARG 31 6.130 0.154 9.173
192 HA ARG 31 HA ARG 31 8.910 -0.693 8.732
193 HB2 ARG 31 HB2 ARG 31 6.525 -2.406 9.443
194 HB3 ARG 31 HB1 ARG 31 8.207 -2.916 9.392
195 HG2 ARG 31 HG2 ARG 31 8.073 -2.575 11.611
196 HG3 ARG 31 HG1 ARG 31 8.408 -0.905 11.151
197 HD2 ARG 31 HD2 ARG 31 6.579 -0.678 12.551
198 HD3 ARG 31 HD1 ARG 31 5.834 -0.702 10.953
199 HE ARG 31 HE ARG 31 5.975 -3.316 12.047
200 HH11 ARG 31 HH11 ARG 31 4.199 -0.320 12.281
201 HH12 ARG 31 HH12 ARG 31 2.748 -1.080 12.843
202 HH21 ARG 31 HH21 ARG 31 4.067 -4.316 12.786
203 HH22 ARG 31 HH22 ARG 31 2.673 -3.349 13.130
204 HA PRO 32 HA PRO 32 7.165 -1.143 4.521
205 HB2 PRO 32 HB2 PRO 32 9.434 -0.566 3.196
206 HB3 PRO 32 HB1 PRO 32 8.409 0.699 3.885
207 HG2 PRO 32 HG2 PRO 32 10.935 -0.490 4.964
208 HG3 PRO 32 HG1 PRO 32 10.431 1.209 4.914
209 HD2 PRO 32 HD2 PRO 32 10.218 -0.364 7.139
210 HD3 PRO 32 HD1 PRO 32 9.146 1.010 6.804
211 H HIS 33 HN HIS 33 6.868 -3.358 4.535
212 HA HIS 33 HA HIS 33 8.981 -4.925 3.364
213 HB2 HIS 33 HB2 HIS 33 9.342 -4.977 5.902
214 HB3 HIS 33 HB1 HIS 33 7.861 -5.927 5.976
215 HD1 HIS 33 HD1 HIS 33 10.101 -7.439 7.012
216 HD2 HIS 33 HD2 HIS 33 9.420 -7.224 2.918
217 HE1 HIS 33 HE1 HIS 33 11.287 -9.427 6.027
218 HE2 HIS 33 HE2 HIS 33 10.790 -9.322 3.559
219 H SER 34 HN SER 34 6.916 -4.469 1.961
220 HA SER 34 HA SER 34 5.646 -6.944 1.557
221 HB2 SER 34 HB2 SER 34 4.287 -5.086 3.354
222 HB3 SER 34 HB1 SER 34 3.289 -5.550 1.976
223 HG SER 34 HG SER 34 4.615 -7.332 3.745
224 H ASP 35 HN ASP 35 4.551 -7.032 -0.396
225 HA ASP 35 HA ASP 35 5.262 -5.095 -2.313
226 HB2 ASP 35 HB2 ASP 35 4.752 -7.593 -2.653
227 HB3 ASP 35 HB1 ASP 35 3.059 -7.109 -2.701
228 H PHE 36 HN PHE 36 2.214 -5.765 -0.637
229 HA PHE 36 HA PHE 36 0.597 -3.996 -2.078
230 HB2 PHE 36 HB2 PHE 36 -0.896 -4.037 -0.097
231 HB3 PHE 36 HB1 PHE 36 -0.382 -5.642 -0.602
232 HD1 PHE 36 HD2 PHE 36 0.290 -2.957 1.863
233 HD2 PHE 36 HD1 PHE 36 0.679 -7.083 0.894
234 HE1 PHE 36 HE2 PHE 36 1.074 -3.417 4.149
235 HE2 PHE 36 HE1 PHE 36 1.461 -7.550 3.178
236 HZ PHE 36 HZ PHE 36 1.661 -5.716 4.810
237 H CYS 37 HN CYS 37 3.078 -3.361 0.207
238 HA CYS 37 HA CYS 37 2.138 -0.802 1.068
239 HB2 CYS 37 HB2 CYS 37 4.938 -1.949 1.116
240 HB3 CYS 37 HB1 CYS 37 4.400 -0.518 1.988
241 H LEU 38 HN LEU 38 4.132 -1.985 -1.553
242 HA LEU 38 HA LEU 38 5.251 0.463 -2.368
243 HB2 LEU 38 HB2 LEU 38 5.856 -1.920 -3.095
244 HB3 LEU 38 HB1 LEU 38 4.533 -1.781 -4.236
245 HG LEU 38 HG LEU 38 6.594 0.365 -4.252
246 HD11 LEU 38 HD11 LEU 38 7.550 -2.138 -4.196
247 HD12 LEU 38 HD12 LEU 38 8.275 -0.845 -5.151
248 HD13 LEU 38 HD13 LEU 38 7.183 -2.000 -5.915
249 HD21 LEU 38 HD21 LEU 38 5.095 0.836 -5.880
250 HD22 LEU 38 HD22 LEU 38 4.610 -0.848 -6.076
251 HD23 LEU 38 HD23 LEU 38 6.108 -0.272 -6.806
252 H GLY 39 HN GLY 39 2.127 -0.997 -2.920
253 HA2 GLY 39 HA2 GLY 39 1.395 0.846 -5.020
254 HA3 GLY 39 HA1 GLY 39 0.341 -0.329 -4.245
255 H CYS 40 HN CYS 40 0.937 0.610 -1.550
256 HA CYS 40 HA CYS 40 -1.005 2.729 -1.448
257 HB2 CYS 40 HB2 CYS 40 -0.645 0.756 0.218
258 HB3 CYS 40 HB1 CYS 40 0.586 1.799 0.921
259 H ALA 41 HN ALA 41 2.406 2.401 -0.484
260 HA ALA 41 HA ALA 41 2.738 5.089 0.297
261 HB1 ALA 41 HB1 ALA 41 4.911 4.547 0.722
262 HB2 ALA 41 HB2 ALA 41 5.065 3.559 -0.731
263 HB3 ALA 41 HB3 ALA 41 4.213 2.928 0.678
264 H ALA 42 HN ALA 42 4.857 6.161 -0.918
265 HA ALA 42 HA ALA 42 5.589 7.351 -2.714
266 HB1 ALA 42 HB1 ALA 42 4.039 5.456 -4.464
267 HB2 ALA 42 HB2 ALA 42 5.624 5.080 -3.789
268 HB3 ALA 42 HB3 ALA 42 5.439 6.438 -4.898
269 H ALA 43 HN ALA 43 2.673 7.497 -1.526
270 HA ALA 43 HA ALA 43 0.787 8.746 -1.829
271 HB1 ALA 43 HB1 ALA 43 1.264 10.943 -1.981
272 HB2 ALA 43 HB2 ALA 43 2.192 10.750 -3.468
273 HB3 ALA 43 HB3 ALA 43 2.930 10.370 -1.912
274 HA PRO 44 HA PRO 44 -0.335 6.982 -5.915
275 HB2 PRO 44 HB2 PRO 44 -3.001 7.560 -4.725
276 HB3 PRO 44 HB1 PRO 44 -2.422 6.103 -5.538
277 HG2 PRO 44 HG2 PRO 44 -2.697 6.172 -2.886
278 HG3 PRO 44 HG1 PRO 44 -1.348 5.310 -3.648
279 HD2 PRO 44 HD2 PRO 44 -1.366 7.940 -2.241
280 HD3 PRO 44 HD1 PRO 44 -0.107 6.689 -2.284
281 HA PRO 45 HA PRO 45 -2.754 10.993 -6.899
282 HB2 PRO 45 HB2 PRO 45 -3.237 12.814 -4.998
283 HB3 PRO 45 HB1 PRO 45 -4.250 11.375 -5.172
284 HG2 PRO 45 HG2 PRO 45 -2.051 11.920 -3.220
285 HG3 PRO 45 HG1 PRO 45 -3.620 11.142 -2.950
286 HD2 PRO 45 HD2 PRO 45 -1.250 9.786 -3.300
287 HD3 PRO 45 HD1 PRO 45 -2.853 9.101 -3.627
288 H ALA 46 HN ALA 46 -2.278 13.468 -6.989
289 HA ALA 46 HA ALA 46 0.290 14.333 -6.070
290 HB1 ALA 46 HB1 ALA 46 -0.029 13.646 -8.988
291 HB2 ALA 46 HB2 ALA 46 1.091 12.915 -7.839
292 HB3 ALA 46 HB3 ALA 46 1.298 14.598 -8.323
293 HA PRO 47 HA PRO 47 -1.626 18.284 -6.489
294 HB2 PRO 47 HB2 PRO 47 1.039 19.266 -7.371
295 HB3 PRO 47 HB1 PRO 47 0.009 19.835 -6.053
296 HG2 PRO 47 HG2 PRO 47 2.196 18.398 -5.551
297 HG3 PRO 47 HG1 PRO 47 0.714 18.168 -4.605
298 HD2 PRO 47 HD2 PRO 47 1.855 16.475 -6.786
299 HD3 PRO 47 HD1 PRO 47 1.013 15.988 -5.301
300 H PHE 48 HN PHE 48 -1.148 20.327 -8.160
301 HA PHE 48 HA PHE 48 -2.153 19.349 -10.659
302 HB2 PHE 48 HB2 PHE 48 -1.342 22.152 -9.857
303 HB3 PHE 48 HB1 PHE 48 -2.260 21.721 -11.296
304 HD1 PHE 48 HD2 PHE 48 -4.556 20.813 -11.063
305 HD2 PHE 48 HD1 PHE 48 -2.384 22.359 -7.747
306 HE1 PHE 48 HE2 PHE 48 -6.651 21.011 -9.788
307 HE2 PHE 48 HE1 PHE 48 -4.475 22.558 -6.465
308 HZ PHE 48 HZ PHE 48 -6.612 21.884 -7.486
309 H ARG 49 HN ARG 49 0.860 20.855 -9.571
310 HA ARG 49 HA ARG 49 2.197 19.757 -11.924
311 HB2 ARG 49 HB2 ARG 49 1.807 22.619 -11.351
312 HB3 ARG 49 HB1 ARG 49 3.464 22.167 -11.731
313 HG2 ARG 49 HG2 ARG 49 3.006 21.951 -13.892
314 HG3 ARG 49 HG1 ARG 49 1.579 20.965 -13.569
315 HD2 ARG 49 HD2 ARG 49 0.166 22.744 -13.636
316 HD3 ARG 49 HD1 ARG 49 1.368 23.861 -12.991
317 HE ARG 49 HE ARG 49 2.081 23.025 -15.602
318 HH11 ARG 49 HH11 ARG 49 -0.139 25.111 -13.899
319 HH12 ARG 49 HH12 ARG 49 -0.313 26.214 -15.222
320 HH21 ARG 49 HH21 ARG 49 1.854 24.475 -17.343
321 HH22 ARG 49 HH22 ARG 49 0.819 25.854 -17.177
322 H LEU 50 HN LEU 50 2.937 21.907 -9.171
323 HA LEU 50 HA LEU 50 4.435 20.017 -7.738
324 HB2 LEU 50 HB2 LEU 50 5.805 21.089 -9.969
325 HB3 LEU 50 HB1 LEU 50 6.513 21.823 -8.543
326 HG LEU 50 HG LEU 50 6.214 19.002 -8.099
327 HD11 LEU 50 HD11 LEU 50 6.464 19.370 -10.756
328 HD12 LEU 50 HD12 LEU 50 7.127 17.985 -9.887
329 HD13 LEU 50 HD13 LEU 50 8.162 19.359 -10.277
330 HD21 LEU 50 HD21 LEU 50 8.882 20.166 -8.548
331 HD22 LEU 50 HD22 LEU 50 8.257 19.244 -7.180
332 HD23 LEU 50 HD23 LEU 50 7.892 20.963 -7.325
333 H LEU 51 HN LEU 51 5.600 20.981 -5.906
334 HA LEU 51 HA LEU 51 4.707 23.725 -5.318
335 HB2 LEU 51 HB2 LEU 51 4.262 21.225 -3.822
336 HB3 LEU 51 HB1 LEU 51 4.799 22.583 -2.851
337 HG LEU 51 HG LEU 51 2.874 23.883 -3.992
338 HD11 LEU 51 HD11 LEU 51 2.388 21.106 -4.876
339 HD12 LEU 51 HD12 LEU 51 1.967 22.635 -5.646
340 HD13 LEU 51 HD13 LEU 51 0.988 22.019 -4.316
341 HD21 LEU 51 HD21 LEU 51 1.714 21.821 -2.234
342 HD22 LEU 51 HD22 LEU 51 1.689 23.579 -2.097
343 HD23 LEU 51 HD23 LEU 51 3.120 22.677 -1.600
344 H TRP 52 HN TRP 52 5.914 24.540 -3.263
345 HA TRP 52 HA TRP 52 8.760 23.832 -3.559
346 HB2 TRP 52 HB2 TRP 52 7.830 26.188 -4.284
347 HB3 TRP 52 HB1 TRP 52 7.901 26.517 -2.556
348 HD1 TRP 52 HD1 TRP 52 10.139 27.437 -1.721
349 HE1 TRP 52 HE1 TRP 52 12.552 27.505 -2.614
350 HE3 TRP 52 HE3 TRP 52 9.529 24.599 -5.931
351 HZ2 TRP 52 HZ2 TRP 52 14.005 26.491 -4.812
352 HZ3 TRP 52 HZ3 TRP 52 11.480 24.197 -7.374
353 HH2 TRP 52 HH2 TRP 52 13.671 25.124 -6.825
354 HA PRO 53 HA PRO 53 7.659 22.490 0.719
355 HB2 PRO 53 HB2 PRO 53 10.400 21.384 0.322
356 HB3 PRO 53 HB1 PRO 53 8.966 20.616 1.012
357 HG2 PRO 53 HG2 PRO 53 9.773 20.009 -1.450
358 HG3 PRO 53 HG1 PRO 53 8.047 20.157 -1.069
359 HD2 PRO 53 HD2 PRO 53 9.837 22.047 -2.527
360 HD3 PRO 53 HD1 PRO 53 8.121 21.681 -2.795
Start of MODEL 2
1 H1 GLU 1 HT1 GLU 1 -22.135 -0.790 4.286
2 H2 GLU 1 HT2 GLU 1 -21.177 0.633 4.272
3 H3 GLU 1 HT3 GLU 1 -22.672 0.611 5.114
4 HA GLU 1 HA GLU 1 -20.598 0.429 6.462
5 HB2 GLU 1 HB2 GLU 1 -23.104 -0.315 6.901
6 HB3 GLU 1 HB1 GLU 1 -22.391 -1.922 6.896
7 HG2 GLU 1 HG2 GLU 1 -20.689 -0.632 8.546
8 HG3 GLU 1 HG1 GLU 1 -22.188 0.235 8.877
9 H GLN 2 HN GLN 2 -19.786 -0.750 3.939
10 HA GLN 2 HA GLN 2 -18.160 -2.914 5.014
11 HB2 GLN 2 HB2 GLN 2 -20.304 -3.270 3.044
12 HB3 GLN 2 HB1 GLN 2 -18.757 -3.929 2.531
13 HG2 GLN 2 HG2 GLN 2 -18.688 -5.464 4.257
14 HG3 GLN 2 HG1 GLN 2 -19.830 -4.555 5.245
15 HE21 GLN 2 HE21 GLN 2 -19.778 -5.964 1.984
16 HE22 GLN 2 HE22 GLN 2 -21.310 -6.753 2.117
17 H ALA 3 HN ALA 3 -16.670 -3.697 3.041
18 HA ALA 3 HA ALA 3 -15.966 -1.862 1.042
19 HB1 ALA 3 HB1 ALA 3 -15.045 -0.269 2.348
20 HB2 ALA 3 HB2 ALA 3 -13.658 -1.357 2.334
21 HB3 ALA 3 HB3 ALA 3 -14.778 -1.376 3.696
22 HA PRO 4 HA PRO 4 -12.430 -5.084 1.399
23 HB2 PRO 4 HB2 PRO 4 -12.211 -6.584 3.636
24 HB3 PRO 4 HB1 PRO 4 -11.477 -4.982 3.496
25 HG2 PRO 4 HG2 PRO 4 -14.034 -5.785 4.831
26 HG3 PRO 4 HG1 PRO 4 -12.777 -4.670 5.399
27 HD2 PRO 4 HD2 PRO 4 -15.096 -3.830 4.251
28 HD3 PRO 4 HD1 PRO 4 -13.572 -2.928 4.127
29 H GLY 5 HN GLY 5 -12.440 -7.194 0.633
30 HA2 GLY 5 HA2 GLY 5 -13.268 -9.390 0.400
31 HA3 GLY 5 HA1 GLY 5 -14.700 -8.922 1.305
32 H THR 6 HN THR 6 -15.767 -6.877 -0.006
33 HA THR 6 HA THR 6 -16.480 -8.067 -2.582
34 HB THR 6 HB THR 6 -17.861 -5.766 -1.203
35 HG1 THR 6 HG1 THR 6 -18.323 -8.546 -0.901
36 HG21 THR 6 HG21 THR 6 -19.456 -5.916 -2.739
37 HG22 THR 6 HG22 THR 6 -19.473 -7.679 -2.672
38 HG23 THR 6 HG23 THR 6 -18.294 -6.846 -3.686
39 H ALA 7 HN ALA 7 -13.984 -6.765 -2.432
40 HA ALA 7 HA ALA 7 -14.238 -4.957 -4.625
41 HB1 ALA 7 HB1 ALA 7 -14.824 -3.330 -3.002
42 HB2 ALA 7 HB2 ALA 7 -13.145 -3.022 -3.443
43 HB3 ALA 7 HB3 ALA 7 -13.522 -3.837 -1.926
44 HA PRO 8 HA PRO 8 -10.239 -7.095 -4.763
45 HB2 PRO 8 HB2 PRO 8 -9.795 -6.641 -7.405
46 HB3 PRO 8 HB1 PRO 8 -10.842 -7.935 -6.814
47 HG2 PRO 8 HG2 PRO 8 -11.581 -5.227 -7.851
48 HG3 PRO 8 HG1 PRO 8 -12.336 -6.797 -8.185
49 HD2 PRO 8 HD2 PRO 8 -13.376 -5.039 -6.415
50 HD3 PRO 8 HD1 PRO 8 -13.512 -6.795 -6.199
51 H CYS 9 HN CYS 9 -9.922 -4.895 -3.436
52 HA CYS 9 HA CYS 9 -8.582 -3.109 -3.011
53 HB2 CYS 9 HB2 CYS 9 -7.048 -4.624 -5.086
54 HB3 CYS 9 HB1 CYS 9 -6.463 -3.046 -4.570
55 H SER 10 HN SER 10 -10.479 -1.881 -3.878
56 HA SER 10 HA SER 10 -10.030 -0.637 -6.479
57 HB2 SER 10 HB2 SER 10 -12.331 -0.618 -4.534
58 HB3 SER 10 HB1 SER 10 -12.260 0.506 -5.891
59 HG SER 10 HG SER 10 -13.190 -1.116 -6.882
60 H ARG 11 HN ARG 11 -10.384 0.292 -3.071
61 HA ARG 11 HA ARG 11 -8.591 2.516 -3.456
62 HB2 ARG 11 HB2 ARG 11 -11.028 3.231 -4.072
63 HB3 ARG 11 HB1 ARG 11 -11.275 3.231 -2.331
64 HG2 ARG 11 HG2 ARG 11 -10.743 5.452 -3.021
65 HG3 ARG 11 HG1 ARG 11 -9.371 4.809 -2.116
66 HD2 ARG 11 HD2 ARG 11 -8.688 6.039 -4.143
67 HD3 ARG 11 HD1 ARG 11 -8.182 4.350 -4.165
68 HE ARG 11 HE ARG 11 -10.693 4.823 -5.480
69 HH11 ARG 11 HH11 ARG 11 -7.224 4.793 -5.861
70 HH12 ARG 11 HH12 ARG 11 -7.289 4.546 -7.573
71 HH21 ARG 11 HH21 ARG 11 -10.781 4.498 -7.733
72 HH22 ARG 11 HH22 ARG 11 -9.308 4.380 -8.636
73 H GLY 12 HN GLY 12 -7.507 3.004 -1.620
74 HA2 GLY 12 HA2 GLY 12 -7.299 3.244 0.741
75 HA3 GLY 12 HA1 GLY 12 -8.600 2.081 0.944
76 H SER 13 HN SER 13 -7.847 -0.075 -0.444
77 HA SER 13 HA SER 13 -5.506 -0.974 1.045
78 HB2 SER 13 HB2 SER 13 -7.212 -2.743 -0.688
79 HB3 SER 13 HB1 SER 13 -6.291 -3.162 0.756
80 HG SER 13 HG SER 13 -7.986 -2.713 1.897
81 H SER 14 HN SER 14 -4.553 -3.014 -0.483
82 HA SER 14 HA SER 14 -4.023 -2.189 -3.163
83 HB2 SER 14 HB2 SER 14 -2.197 -1.402 -1.018
84 HB3 SER 14 HB1 SER 14 -1.400 -2.294 -2.314
85 HG SER 14 HG SER 14 -2.309 -0.785 -3.787
86 H TRP 15 HN TRP 15 -2.857 -3.738 -4.377
87 HA TRP 15 HA TRP 15 -3.188 -6.417 -3.423
88 HB2 TRP 15 HB2 TRP 15 -3.641 -6.167 -5.710
89 HB3 TRP 15 HB1 TRP 15 -2.214 -5.177 -5.982
90 HD1 TRP 15 HD1 TRP 15 -0.093 -6.382 -6.839
91 HE1 TRP 15 HE1 TRP 15 0.531 -8.832 -7.320
92 HE3 TRP 15 HE3 TRP 15 -4.152 -8.684 -4.750
93 HZ2 TRP 15 HZ2 TRP 15 -0.554 -11.397 -6.871
94 HZ3 TRP 15 HZ3 TRP 15 -4.283 -11.136 -4.820
95 HH2 TRP 15 HH2 TRP 15 -2.520 -12.465 -5.860
96 H SER 16 HN SER 16 -1.431 -8.043 -3.533
97 HA SER 16 HA SER 16 1.234 -6.998 -3.073
98 HB2 SER 16 HB2 SER 16 0.498 -9.091 -1.146
99 HB3 SER 16 HB1 SER 16 1.417 -7.607 -0.900
100 HG SER 16 HG SER 16 -0.364 -7.061 0.113
101 H ALA 17 HN ALA 17 2.797 -8.257 -3.904
102 HA ALA 17 HA ALA 17 1.970 -10.749 -5.184
103 HB1 ALA 17 HB1 ALA 17 3.133 -9.050 -6.532
104 HB2 ALA 17 HB2 ALA 17 4.014 -10.576 -6.470
105 HB3 ALA 17 HB3 ALA 17 4.545 -9.211 -5.489
106 H ASP 18 HN ASP 18 3.781 -9.629 -2.485
107 HA ASP 18 HA ASP 18 5.699 -11.579 -2.120
108 HB2 ASP 18 HB2 ASP 18 5.305 -9.529 -0.695
109 HB3 ASP 18 HB1 ASP 18 4.017 -10.424 0.108
110 H LEU 19 HN LEU 19 2.241 -11.784 -1.680
111 HA LEU 19 HA LEU 19 2.467 -14.663 -1.381
112 HB2 LEU 19 HB2 LEU 19 0.866 -14.653 0.547
113 HB3 LEU 19 HB1 LEU 19 2.481 -14.078 0.914
114 HG LEU 19 HG LEU 19 0.669 -11.919 0.155
115 HD11 LEU 19 HD11 LEU 19 -0.296 -12.167 2.635
116 HD12 LEU 19 HD12 LEU 19 -0.165 -13.873 2.209
117 HD13 LEU 19 HD13 LEU 19 -1.132 -12.786 1.212
118 HD21 LEU 19 HD21 LEU 19 1.647 -10.845 2.053
119 HD22 LEU 19 HD22 LEU 19 2.927 -11.702 1.194
120 HD23 LEU 19 HD23 LEU 19 2.252 -12.379 2.676
121 H ASP 20 HN ASP 20 1.385 -12.569 -3.276
122 HA ASP 20 HA ASP 20 -0.481 -12.125 -4.529
123 HB2 ASP 20 HB2 ASP 20 -0.329 -15.093 -4.222
124 HB3 ASP 20 HB1 ASP 20 -1.720 -14.403 -5.052
125 H LYS 21 HN LYS 21 -1.485 -10.897 -2.795
126 HA LYS 21 HA LYS 21 -4.174 -11.576 -2.414
127 HB2 LYS 21 HB2 LYS 21 -2.362 -12.672 -0.442
128 HB3 LYS 21 HB1 LYS 21 -3.493 -11.553 0.307
129 HG2 LYS 21 HG2 LYS 21 -5.318 -12.845 -0.923
130 HG3 LYS 21 HG1 LYS 21 -4.081 -14.072 -1.207
131 HD2 LYS 21 HD2 LYS 21 -3.686 -14.134 1.259
132 HD3 LYS 21 HD1 LYS 21 -5.071 -13.057 1.455
133 HE2 LYS 21 HE2 LYS 21 -6.439 -14.774 0.225
134 HE3 LYS 21 HE1 LYS 21 -5.052 -15.857 0.344
135 HZ1 LYS 21 HZ1 LYS 21 -6.930 -15.890 2.134
136 HZ2 LYS 21 HZ2 LYS 21 -6.063 -14.594 2.790
137 HZ3 LYS 21 HZ3 LYS 21 -5.312 -16.095 2.585
138 H CYS 22 HN CYS 22 -5.313 -9.784 -1.916
139 HA CYS 22 HA CYS 22 -4.070 -7.279 -1.890
140 HB2 CYS 22 HB2 CYS 22 -6.821 -8.296 -1.521
141 HB3 CYS 22 HB1 CYS 22 -6.500 -6.712 -0.825
142 H MET 23 HN MET 23 -4.053 -5.657 -0.215
143 HA MET 23 HA MET 23 -4.364 -6.496 2.518
144 HB2 MET 23 HB2 MET 23 -1.889 -6.899 1.386
145 HB3 MET 23 HB1 MET 23 -1.706 -5.323 2.144
146 HG2 MET 23 HG2 MET 23 -2.962 -7.444 3.770
147 HG3 MET 23 HG1 MET 23 -1.245 -7.619 3.414
148 HE1 MET 23 HE1 MET 23 -1.153 -7.852 5.777
149 HE2 MET 23 HE2 MET 23 -1.373 -6.608 7.007
150 HE3 MET 23 HE3 MET 23 0.121 -6.669 6.072
151 H ASP 24 HN ASP 24 -5.267 -4.861 3.564
152 HA ASP 24 HA ASP 24 -5.666 -2.331 2.457
153 HB2 ASP 24 HB2 ASP 24 -5.758 -3.086 5.385
154 HB3 ASP 24 HB1 ASP 24 -6.517 -1.676 4.653
155 H CYS 25 HN CYS 25 -5.030 -0.247 3.616
156 HA CYS 25 HA CYS 25 -2.179 -0.044 3.540
157 HB2 CYS 25 HB2 CYS 25 -4.398 1.732 3.348
158 HB3 CYS 25 HB1 CYS 25 -3.344 2.325 4.628
159 H ALA 26 HN ALA 26 -4.543 -0.442 6.037
160 HA ALA 26 HA ALA 26 -2.989 0.565 8.197
161 HB1 ALA 26 HB1 ALA 26 -5.406 0.378 8.363
162 HB2 ALA 26 HB2 ALA 26 -4.627 -0.573 9.628
163 HB3 ALA 26 HB3 ALA 26 -5.298 -1.375 8.207
164 H SER 27 HN SER 27 -1.024 -0.657 7.219
165 HA SER 27 HA SER 27 -0.197 -2.596 9.044
166 HB2 SER 27 HB2 SER 27 -1.918 -3.808 7.358
167 HB3 SER 27 HB1 SER 27 -0.424 -4.006 6.443
168 HG SER 27 HG SER 27 0.400 -5.235 8.016
169 H CYS 28 HN CYS 28 0.796 -0.241 7.801
170 HA CYS 28 HA CYS 28 3.398 -1.166 7.072
171 HB2 CYS 28 HB2 CYS 28 1.940 -1.194 4.937
172 HB3 CYS 28 HB1 CYS 28 2.038 0.560 5.023
173 H ARG 29 HN ARG 29 2.469 0.353 9.207
174 HA ARG 29 HA ARG 29 2.905 3.148 8.697
175 HB2 ARG 29 HB2 ARG 29 2.325 1.474 11.099
176 HB3 ARG 29 HB1 ARG 29 3.012 3.074 11.345
177 HG2 ARG 29 HG2 ARG 29 0.741 2.989 9.492
178 HG3 ARG 29 HG1 ARG 29 0.365 2.540 11.157
179 HD2 ARG 29 HD2 ARG 29 1.460 4.635 11.912
180 HD3 ARG 29 HD1 ARG 29 1.678 5.089 10.222
181 HE ARG 29 HE ARG 29 -0.514 5.720 10.159
182 HH11 ARG 29 HH11 ARG 29 -0.050 3.614 12.903
183 HH12 ARG 29 HH12 ARG 29 -1.651 3.853 13.516
184 HH21 ARG 29 HH21 ARG 29 -2.621 6.035 10.964
185 HH22 ARG 29 HH22 ARG 29 -3.113 5.227 12.415
186 H ALA 30 HN ALA 30 4.995 0.601 8.836
187 HA ALA 30 HA ALA 30 7.306 2.174 8.887
188 HB1 ALA 30 HB1 ALA 30 7.359 0.566 11.369
189 HB2 ALA 30 HB2 ALA 30 6.411 2.053 11.400
190 HB3 ALA 30 HB3 ALA 30 8.127 2.109 10.998
191 H ARG 31 HN ARG 31 5.849 -0.975 9.445
192 HA ARG 31 HA ARG 31 8.179 -2.520 9.012
193 HB2 ARG 31 HB2 ARG 31 5.302 -3.006 9.304
194 HB3 ARG 31 HB1 ARG 31 6.115 -4.167 8.265
195 HG2 ARG 31 HG2 ARG 31 6.023 -4.929 10.579
196 HG3 ARG 31 HG1 ARG 31 7.686 -4.691 10.040
197 HD2 ARG 31 HD2 ARG 31 7.099 -2.245 11.072
198 HD3 ARG 31 HD1 ARG 31 6.154 -3.300 12.122
199 HE ARG 31 HE ARG 31 9.017 -3.065 12.020
200 HH11 ARG 31 HH11 ARG 31 6.345 -5.139 12.881
201 HH12 ARG 31 HH12 ARG 31 7.265 -6.060 14.022
202 HH21 ARG 31 HH21 ARG 31 10.229 -4.274 13.521
203 HH22 ARG 31 HH22 ARG 31 9.470 -5.569 14.387
204 HA PRO 32 HA PRO 32 8.124 -1.891 4.543
205 HB2 PRO 32 HB2 PRO 32 10.699 -2.416 4.095
206 HB3 PRO 32 HB1 PRO 32 10.209 -0.929 4.915
207 HG2 PRO 32 HG2 PRO 32 11.323 -3.451 6.065
208 HG3 PRO 32 HG1 PRO 32 11.660 -1.770 6.513
209 HD2 PRO 32 HD2 PRO 32 9.896 -3.471 7.836
210 HD3 PRO 32 HD1 PRO 32 9.905 -1.702 7.960
211 H HIS 33 HN HIS 33 9.603 -3.389 2.836
212 HA HIS 33 HA HIS 33 9.740 -5.374 1.745
213 HB2 HIS 33 HB2 HIS 33 9.865 -6.159 4.581
214 HB3 HIS 33 HB1 HIS 33 9.315 -7.433 3.497
215 HD1 HIS 33 HD1 HIS 33 11.171 -6.607 1.076
216 HD2 HIS 33 HD2 HIS 33 12.394 -7.163 5.009
217 HE1 HIS 33 HE1 HIS 33 13.627 -7.132 0.948
218 HE2 HIS 33 HE2 HIS 33 14.363 -7.375 3.346
219 H SER 34 HN SER 34 7.538 -4.301 1.148
220 HA SER 34 HA SER 34 5.648 -6.442 0.958
221 HB2 SER 34 HB2 SER 34 5.149 -4.108 2.740
222 HB3 SER 34 HB1 SER 34 3.800 -4.702 1.769
223 HG SER 34 HG SER 34 4.606 -5.669 4.035
224 H ASP 35 HN ASP 35 4.967 -6.416 -1.068
225 HA ASP 35 HA ASP 35 5.465 -4.278 -2.832
226 HB2 ASP 35 HB2 ASP 35 3.901 -6.833 -3.039
227 HB3 ASP 35 HB1 ASP 35 3.848 -5.650 -4.342
228 H PHE 36 HN PHE 36 2.731 -5.084 -0.839
229 HA PHE 36 HA PHE 36 0.831 -3.477 -2.231
230 HB2 PHE 36 HB2 PHE 36 -0.604 -3.811 -0.296
231 HB3 PHE 36 HB1 PHE 36 0.165 -5.330 -0.743
232 HD1 PHE 36 HD1 PHE 36 0.361 -2.498 1.638
233 HD2 PHE 36 HD2 PHE 36 1.430 -6.532 0.806
234 HE1 PHE 36 HE1 PHE 36 1.182 -2.751 3.944
235 HE2 PHE 36 HE2 PHE 36 2.252 -6.793 3.110
236 HZ PHE 36 HZ PHE 36 2.127 -4.902 4.682
237 H CYS 37 HN CYS 37 3.393 -2.767 -0.080
238 HA CYS 37 HA CYS 37 2.300 -0.329 0.969
239 HB2 CYS 37 HB2 CYS 37 5.094 -1.477 0.957
240 HB3 CYS 37 HB1 CYS 37 4.685 0.058 1.714
241 H LEU 38 HN LEU 38 4.311 -1.260 -1.746
242 HA LEU 38 HA LEU 38 5.232 1.313 -2.449
243 HB2 LEU 38 HB2 LEU 38 5.602 -1.272 -3.375
244 HB3 LEU 38 HB1 LEU 38 4.796 -0.474 -4.711
245 HG LEU 38 HG LEU 38 7.323 0.525 -3.398
246 HD11 LEU 38 HD11 LEU 38 8.028 -1.390 -4.484
247 HD12 LEU 38 HD12 LEU 38 8.236 -0.154 -5.725
248 HD13 LEU 38 HD13 LEU 38 6.835 -1.224 -5.772
249 HD21 LEU 38 HD21 LEU 38 6.573 2.429 -4.355
250 HD22 LEU 38 HD22 LEU 38 5.508 1.578 -5.473
251 HD23 LEU 38 HD23 LEU 38 7.235 1.692 -5.815
252 H GLY 39 HN GLY 39 2.249 -0.394 -3.070
253 HA2 GLY 39 HA2 GLY 39 1.359 1.654 -4.959
254 HA3 GLY 39 HA1 GLY 39 0.517 0.163 -4.572
255 H CYS 40 HN CYS 40 0.909 0.698 -1.656
256 HA CYS 40 HA CYS 40 -1.386 2.488 -1.361
257 HB2 CYS 40 HB2 CYS 40 -1.019 0.043 -0.316
258 HB3 CYS 40 HB1 CYS 40 -0.301 1.003 0.973
259 H ALA 41 HN ALA 41 1.342 3.471 -1.839
260 HA ALA 41 HA ALA 41 1.372 5.509 0.144
261 HB1 ALA 41 HB1 ALA 41 2.916 4.798 1.575
262 HB2 ALA 41 HB2 ALA 41 4.021 4.380 0.265
263 HB3 ALA 41 HB3 ALA 41 2.811 3.216 0.803
264 H ALA 42 HN ALA 42 1.185 6.782 -1.738
265 HA ALA 42 HA ALA 42 3.183 6.698 -3.794
266 HB1 ALA 42 HB1 ALA 42 2.014 8.944 -4.406
267 HB2 ALA 42 HB2 ALA 42 0.823 8.433 -3.210
268 HB3 ALA 42 HB3 ALA 42 1.152 7.419 -4.616
269 H ALA 43 HN ALA 43 4.984 6.894 -2.186
270 HA ALA 43 HA ALA 43 5.661 9.733 -1.842
271 HB1 ALA 43 HB1 ALA 43 6.941 8.659 0.279
272 HB2 ALA 43 HB2 ALA 43 5.496 7.650 0.231
273 HB3 ALA 43 HB3 ALA 43 5.343 9.402 0.364
274 HA PRO 44 HA PRO 44 9.598 9.051 -3.674
275 HB2 PRO 44 HB2 PRO 44 10.865 9.924 -1.119
276 HB3 PRO 44 HB1 PRO 44 11.132 10.509 -2.765
277 HG2 PRO 44 HG2 PRO 44 9.704 11.940 -1.034
278 HG3 PRO 44 HG1 PRO 44 9.232 11.841 -2.741
279 HD2 PRO 44 HD2 PRO 44 8.042 10.493 -0.360
280 HD3 PRO 44 HD1 PRO 44 7.248 11.115 -1.821
281 HA PRO 45 HA PRO 45 11.581 5.254 -2.628
282 HB2 PRO 45 HB2 PRO 45 14.124 6.694 -2.026
283 HB3 PRO 45 HB1 PRO 45 13.837 5.316 -3.096
284 HG2 PRO 45 HG2 PRO 45 14.209 7.752 -4.099
285 HG3 PRO 45 HG1 PRO 45 13.016 6.649 -4.810
286 HD2 PRO 45 HD2 PRO 45 12.593 9.030 -3.064
287 HD3 PRO 45 HD1 PRO 45 11.601 8.419 -4.403
288 H ALA 46 HN ALA 46 12.538 7.891 -0.447
289 HA ALA 46 HA ALA 46 12.055 6.088 1.821
290 HB1 ALA 46 HB1 ALA 46 14.027 7.587 2.851
291 HB2 ALA 46 HB2 ALA 46 14.535 7.548 1.162
292 HB3 ALA 46 HB3 ALA 46 14.304 6.041 2.048
293 HA PRO 47 HA PRO 47 9.603 9.560 3.135
294 HB2 PRO 47 HB2 PRO 47 8.965 8.706 5.608
295 HB3 PRO 47 HB1 PRO 47 8.278 7.966 4.156
296 HG2 PRO 47 HG2 PRO 47 10.541 7.022 5.875
297 HG3 PRO 47 HG1 PRO 47 9.208 6.090 5.169
298 HD2 PRO 47 HD2 PRO 47 11.711 6.180 4.089
299 HD3 PRO 47 HD1 PRO 47 10.243 5.922 3.127
300 H PHE 48 HN PHE 48 10.139 11.489 3.950
301 HA PHE 48 HA PHE 48 11.249 13.130 5.066
302 HB2 PHE 48 HB2 PHE 48 10.717 11.063 6.991
303 HB3 PHE 48 HB1 PHE 48 12.259 11.824 7.365
304 HD1 PHE 48 HD1 PHE 48 8.843 12.881 6.285
305 HD2 PHE 48 HD2 PHE 48 12.182 13.575 8.831
306 HE1 PHE 48 HE1 PHE 48 7.653 14.767 7.325
307 HE2 PHE 48 HE2 PHE 48 10.998 15.463 9.876
308 HZ PHE 48 HZ PHE 48 8.730 16.060 9.124
309 H ARG 49 HN ARG 49 13.506 13.181 6.638
310 HA ARG 49 HA ARG 49 15.778 13.163 6.562
311 HB2 ARG 49 HB2 ARG 49 15.011 10.528 5.543
312 HB3 ARG 49 HB1 ARG 49 16.578 11.069 4.957
313 HG2 ARG 49 HG2 ARG 49 16.858 11.654 7.554
314 HG3 ARG 49 HG1 ARG 49 15.727 10.305 7.675
315 HD2 ARG 49 HD2 ARG 49 17.695 9.152 7.703
316 HD3 ARG 49 HD1 ARG 49 17.410 9.204 5.963
317 HE ARG 49 HE ARG 49 18.960 11.414 6.950
318 HH11 ARG 49 HH11 ARG 49 19.083 8.127 5.787
319 HH12 ARG 49 HH12 ARG 49 20.735 8.237 5.279
320 HH21 ARG 49 HH21 ARG 49 21.132 11.561 6.282
321 HH22 ARG 49 HH22 ARG 49 21.898 10.185 5.559
322 H LEU 50 HN LEU 50 17.155 14.366 5.410
323 HA LEU 50 HA LEU 50 18.038 15.582 3.705
324 HB2 LEU 50 HB2 LEU 50 16.968 13.498 1.820
325 HB3 LEU 50 HB1 LEU 50 18.376 14.522 1.615
326 HG LEU 50 HG LEU 50 18.918 13.069 3.933
327 HD11 LEU 50 HD11 LEU 50 16.915 11.662 2.975
328 HD12 LEU 50 HD12 LEU 50 18.342 10.875 3.646
329 HD13 LEU 50 HD13 LEU 50 18.162 11.034 1.899
330 HD21 LEU 50 HD21 LEU 50 20.342 11.752 2.087
331 HD22 LEU 50 HD22 LEU 50 20.751 13.376 2.643
332 HD23 LEU 50 HD23 LEU 50 19.863 13.157 1.134
333 H LEU 51 HN LEU 51 16.071 16.939 4.382
334 HA LEU 51 HA LEU 51 14.184 17.221 2.148
335 HB2 LEU 51 HB2 LEU 51 14.058 17.891 5.053
336 HB3 LEU 51 HB1 LEU 51 13.098 18.833 3.928
337 HG LEU 51 HG LEU 51 12.309 16.441 3.117
338 HD11 LEU 51 HD11 LEU 51 13.368 14.875 4.358
339 HD12 LEU 51 HD12 LEU 51 12.040 15.206 5.472
340 HD13 LEU 51 HD13 LEU 51 13.612 15.963 5.724
341 HD21 LEU 51 HD21 LEU 51 11.156 18.458 4.441
342 HD22 LEU 51 HD22 LEU 51 11.088 17.218 5.694
343 HD23 LEU 51 HD23 LEU 51 10.340 16.927 4.123
344 H TRP 52 HN TRP 52 13.823 19.231 1.185
345 HA TRP 52 HA TRP 52 16.109 21.030 1.338
346 HB2 TRP 52 HB2 TRP 52 14.025 20.429 -0.684
347 HB3 TRP 52 HB1 TRP 52 14.634 22.081 -0.652
348 HD1 TRP 52 HD1 TRP 52 15.191 19.318 -2.678
349 HE1 TRP 52 HE1 TRP 52 17.626 19.070 -3.473
350 HE3 TRP 52 HE3 TRP 52 17.479 22.352 0.745
351 HZ2 TRP 52 HZ2 TRP 52 20.178 20.031 -2.746
352 HZ3 TRP 52 HZ3 TRP 52 19.920 22.633 0.626
353 HH2 TRP 52 HH2 TRP 52 21.241 21.496 -1.084
354 HA PRO 53 HA PRO 53 12.661 24.239 2.137
355 HB2 PRO 53 HB2 PRO 53 10.072 23.491 2.178
356 HB3 PRO 53 HB1 PRO 53 10.911 23.890 0.675
357 HG2 PRO 53 HG2 PRO 53 10.309 21.204 1.852
358 HG3 PRO 53 HG1 PRO 53 10.168 21.744 0.170
359 HD2 PRO 53 HD2 PRO 53 12.276 20.295 1.098
360 HD3 PRO 53 HD1 PRO 53 12.406 21.447 -0.245
Start of MODEL 3
1 H1 GLU 1 HT1 GLU 1 -24.730 3.754 -6.730
2 H2 GLU 1 HT2 GLU 1 -23.454 4.753 -6.166
3 H3 GLU 1 HT3 GLU 1 -25.054 4.999 -5.598
4 HA GLU 1 HA GLU 1 -25.020 3.248 -4.238
5 HB2 GLU 1 HB2 GLU 1 -23.238 1.405 -4.613
6 HB3 GLU 1 HB1 GLU 1 -24.622 1.472 -5.693
7 HG2 GLU 1 HG2 GLU 1 -23.224 1.510 -7.402
8 HG3 GLU 1 HG1 GLU 1 -22.660 3.091 -6.867
9 H GLN 2 HN GLN 2 -21.750 4.049 -5.429
10 HA GLN 2 HA GLN 2 -19.936 4.941 -4.388
11 HB2 GLN 2 HB2 GLN 2 -22.066 6.257 -3.242
12 HB3 GLN 2 HB1 GLN 2 -21.216 5.619 -1.841
13 HG2 GLN 2 HG2 GLN 2 -19.903 7.395 -1.970
14 HG3 GLN 2 HG1 GLN 2 -19.200 6.665 -3.412
15 HE21 GLN 2 HE21 GLN 2 -18.763 8.885 -4.015
16 HE22 GLN 2 HE22 GLN 2 -20.000 9.811 -4.789
17 H ALA 3 HN ALA 3 -21.768 3.746 -1.574
18 HA ALA 3 HA ALA 3 -21.230 2.258 0.062
19 HB1 ALA 3 HB1 ALA 3 -21.425 0.760 -1.958
20 HB2 ALA 3 HB2 ALA 3 -20.460 0.128 -0.625
21 HB3 ALA 3 HB3 ALA 3 -19.664 0.796 -2.050
22 HA PRO 4 HA PRO 4 -17.021 4.160 0.626
23 HB2 PRO 4 HB2 PRO 4 -17.560 5.306 3.023
24 HB3 PRO 4 HB1 PRO 4 -17.923 6.094 1.483
25 HG2 PRO 4 HG2 PRO 4 -19.748 4.581 3.313
26 HG3 PRO 4 HG1 PRO 4 -20.035 6.109 2.458
27 HD2 PRO 4 HD2 PRO 4 -20.989 3.735 1.566
28 HD3 PRO 4 HD1 PRO 4 -20.523 5.051 0.470
29 H GLY 5 HN GLY 5 -15.620 3.989 2.696
30 HA2 GLY 5 HA2 GLY 5 -14.925 2.776 4.582
31 HA3 GLY 5 HA1 GLY 5 -16.302 1.704 4.373
32 H THR 6 HN THR 6 -16.200 0.240 2.450
33 HA THR 6 HA THR 6 -13.476 -0.822 2.225
34 HB THR 6 HB THR 6 -16.033 -2.203 1.414
35 HG1 THR 6 HG1 THR 6 -16.227 -1.751 3.587
36 HG21 THR 6 HG21 THR 6 -14.488 -4.176 2.231
37 HG22 THR 6 HG22 THR 6 -13.217 -3.050 1.757
38 HG23 THR 6 HG23 THR 6 -14.424 -3.564 0.578
39 H ALA 7 HN ALA 7 -12.398 -0.856 0.347
40 HA ALA 7 HA ALA 7 -13.865 -0.108 -2.100
41 HB1 ALA 7 HB1 ALA 7 -12.608 1.768 -1.886
42 HB2 ALA 7 HB2 ALA 7 -11.413 0.758 -2.701
43 HB3 ALA 7 HB3 ALA 7 -11.353 0.956 -0.949
44 HA PRO 8 HA PRO 8 -12.104 -3.662 -4.032
45 HB2 PRO 8 HB2 PRO 8 -11.807 -2.891 -6.589
46 HB3 PRO 8 HB1 PRO 8 -13.403 -3.064 -5.847
47 HG2 PRO 8 HG2 PRO 8 -11.799 -0.586 -6.336
48 HG3 PRO 8 HG1 PRO 8 -13.535 -0.859 -6.568
49 HD2 PRO 8 HD2 PRO 8 -12.465 0.398 -4.380
50 HD3 PRO 8 HD1 PRO 8 -14.012 -0.470 -4.362
51 H CYS 9 HN CYS 9 -10.095 -2.546 -2.586
52 HA CYS 9 HA CYS 9 -7.844 -2.217 -2.423
53 HB2 CYS 9 HB2 CYS 9 -8.062 -4.302 -4.587
54 HB3 CYS 9 HB1 CYS 9 -6.508 -3.786 -3.941
55 H SER 10 HN SER 10 -9.160 -0.271 -4.037
56 HA SER 10 HA SER 10 -6.861 0.671 -5.545
57 HB2 SER 10 HB2 SER 10 -8.854 1.347 -7.306
58 HB3 SER 10 HB1 SER 10 -7.752 -0.015 -7.506
59 HG SER 10 HG SER 10 -9.845 -0.764 -7.703
60 H ARG 11 HN ARG 11 -8.300 1.407 -3.085
61 HA ARG 11 HA ARG 11 -8.394 4.229 -3.531
62 HB2 ARG 11 HB2 ARG 11 -10.860 2.730 -3.659
63 HB3 ARG 11 HB1 ARG 11 -10.894 3.843 -2.298
64 HG2 ARG 11 HG2 ARG 11 -11.642 5.294 -3.835
65 HG3 ARG 11 HG1 ARG 11 -9.929 5.467 -4.222
66 HD2 ARG 11 HD2 ARG 11 -10.888 3.212 -5.635
67 HD3 ARG 11 HD1 ARG 11 -12.056 4.510 -5.869
68 HE ARG 11 HE ARG 11 -9.371 4.384 -6.892
69 HH11 ARG 11 HH11 ARG 11 -12.020 6.493 -6.039
70 HH12 ARG 11 HH12 ARG 11 -11.500 7.772 -7.083
71 HH21 ARG 11 HH21 ARG 11 -8.688 6.067 -8.265
72 HH22 ARG 11 HH22 ARG 11 -9.610 7.531 -8.348
73 H GLY 12 HN GLY 12 -6.990 2.291 -1.879
74 HA2 GLY 12 HA2 GLY 12 -6.603 3.625 0.450
75 HA3 GLY 12 HA1 GLY 12 -7.980 2.596 0.815
76 H SER 13 HN SER 13 -7.025 0.463 -0.975
77 HA SER 13 HA SER 13 -4.775 -0.517 0.659
78 HB2 SER 13 HB2 SER 13 -6.887 -2.275 -0.593
79 HB3 SER 13 HB1 SER 13 -5.697 -2.713 0.633
80 HG SER 13 HG SER 13 -7.809 -0.848 0.992
81 H SER 14 HN SER 14 -4.054 -2.744 -0.663
82 HA SER 14 HA SER 14 -3.850 -2.288 -3.484
83 HB2 SER 14 HB2 SER 14 -2.097 -0.786 -2.370
84 HB3 SER 14 HB1 SER 14 -1.263 -2.280 -1.944
85 HG SER 14 HG SER 14 -1.127 -2.769 -4.153
86 H TRP 15 HN TRP 15 -2.837 -4.034 -4.617
87 HA TRP 15 HA TRP 15 -3.273 -6.564 -3.338
88 HB2 TRP 15 HB2 TRP 15 -3.902 -6.665 -5.557
89 HB3 TRP 15 HB1 TRP 15 -2.588 -5.626 -6.090
90 HD1 TRP 15 HD1 TRP 15 -0.358 -6.780 -6.861
91 HE1 TRP 15 HE1 TRP 15 0.315 -9.228 -7.275
92 HE3 TRP 15 HE3 TRP 15 -4.330 -9.110 -4.636
93 HZ2 TRP 15 HZ2 TRP 15 -0.702 -11.802 -6.730
94 HZ3 TRP 15 HZ3 TRP 15 -4.406 -11.565 -4.631
95 HH2 TRP 15 HH2 TRP 15 -2.628 -12.884 -5.658
96 H SER 16 HN SER 16 -1.606 -8.331 -3.507
97 HA SER 16 HA SER 16 1.139 -7.440 -3.373
98 HB2 SER 16 HB2 SER 16 0.446 -9.201 -1.119
99 HB3 SER 16 HB1 SER 16 1.505 -7.792 -1.165
100 HG SER 16 HG SER 16 -1.230 -7.954 -0.655
101 H ALA 17 HN ALA 17 2.244 -8.780 -4.619
102 HA ALA 17 HA ALA 17 1.217 -11.415 -5.229
103 HB1 ALA 17 HB1 ALA 17 3.625 -9.911 -6.241
104 HB2 ALA 17 HB2 ALA 17 2.081 -10.137 -7.063
105 HB3 ALA 17 HB3 ALA 17 3.148 -11.515 -6.797
106 H ASP 18 HN ASP 18 3.591 -10.005 -3.158
107 HA ASP 18 HA ASP 18 5.450 -12.024 -2.856
108 HB2 ASP 18 HB2 ASP 18 5.040 -9.633 -1.651
109 HB3 ASP 18 HB1 ASP 18 4.573 -10.722 -0.348
110 H LEU 19 HN LEU 19 2.142 -11.926 -1.814
111 HA LEU 19 HA LEU 19 2.373 -14.682 -0.910
112 HB2 LEU 19 HB2 LEU 19 0.930 -14.098 1.107
113 HB3 LEU 19 HB1 LEU 19 2.630 -13.682 1.184
114 HG LEU 19 HG LEU 19 1.204 -11.449 0.112
115 HD11 LEU 19 HD11 LEU 19 -0.555 -12.844 1.607
116 HD12 LEU 19 HD12 LEU 19 -0.562 -11.086 1.455
117 HD13 LEU 19 HD13 LEU 19 0.206 -11.848 2.848
118 HD21 LEU 19 HD21 LEU 19 2.921 -12.077 2.456
119 HD22 LEU 19 HD22 LEU 19 2.013 -10.565 2.462
120 HD23 LEU 19 HD23 LEU 19 3.157 -10.901 1.163
121 H ASP 20 HN ASP 20 1.086 -13.011 -3.094
122 HA ASP 20 HA ASP 20 -0.915 -12.790 -4.190
123 HB2 ASP 20 HB2 ASP 20 -0.289 -15.532 -3.685
124 HB3 ASP 20 HB1 ASP 20 -2.038 -15.348 -3.638
125 H LYS 21 HN LYS 21 -1.792 -11.230 -2.703
126 HA LYS 21 HA LYS 21 -4.402 -11.678 -1.957
127 HB2 LYS 21 HB2 LYS 21 -2.529 -12.697 0.006
128 HB3 LYS 21 HB1 LYS 21 -3.548 -11.442 0.699
129 HG2 LYS 21 HG2 LYS 21 -5.353 -12.754 0.712
130 HG3 LYS 21 HG1 LYS 21 -5.024 -13.380 -0.905
131 HD2 LYS 21 HD2 LYS 21 -4.886 -15.221 0.594
132 HD3 LYS 21 HD1 LYS 21 -3.233 -14.813 0.128
133 HE2 LYS 21 HE2 LYS 21 -3.251 -13.352 2.264
134 HE3 LYS 21 HE1 LYS 21 -4.639 -14.334 2.729
135 HZ1 LYS 21 HZ1 LYS 21 -2.327 -15.078 3.475
136 HZ2 LYS 21 HZ2 LYS 21 -2.106 -15.590 1.878
137 HZ3 LYS 21 HZ3 LYS 21 -3.354 -16.249 2.812
138 H CYS 22 HN CYS 22 -5.406 -9.802 -1.329
139 HA CYS 22 HA CYS 22 -4.005 -7.382 -1.719
140 HB2 CYS 22 HB2 CYS 22 -6.757 -8.201 -1.161
141 HB3 CYS 22 HB1 CYS 22 -6.335 -6.662 -0.417
142 H MET 23 HN MET 23 -3.942 -5.578 -0.136
143 HA MET 23 HA MET 23 -3.982 -6.203 2.652
144 HB2 MET 23 HB2 MET 23 -1.595 -6.728 1.266
145 HB3 MET 23 HB1 MET 23 -1.315 -5.230 2.143
146 HG2 MET 23 HG2 MET 23 -1.252 -6.259 4.120
147 HG3 MET 23 HG1 MET 23 -2.626 -7.293 3.736
148 HE1 MET 23 HE1 MET 23 0.808 -7.666 4.974
149 HE2 MET 23 HE2 MET 23 0.664 -9.420 4.851
150 HE3 MET 23 HE3 MET 23 -0.668 -8.470 5.509
151 H ASP 24 HN ASP 24 -4.712 -4.439 3.613
152 HA ASP 24 HA ASP 24 -4.913 -1.947 2.315
153 HB2 ASP 24 HB2 ASP 24 -5.345 -2.821 5.164
154 HB3 ASP 24 HB1 ASP 24 -5.546 -1.143 4.672
155 H CYS 25 HN CYS 25 -4.170 0.116 3.547
156 HA CYS 25 HA CYS 25 -1.300 0.079 3.522
157 HB2 CYS 25 HB2 CYS 25 -3.280 2.002 3.075
158 HB3 CYS 25 HB1 CYS 25 -2.451 2.543 4.531
159 H ALA 26 HN ALA 26 -3.749 -0.142 5.935
160 HA ALA 26 HA ALA 26 -2.477 0.915 8.170
161 HB1 ALA 26 HB1 ALA 26 -4.015 -1.560 8.611
162 HB2 ALA 26 HB2 ALA 26 -4.856 -0.271 7.750
163 HB3 ALA 26 HB3 ALA 26 -4.183 0.031 9.352
164 H SER 27 HN SER 27 -2.554 -2.524 7.211
165 HA SER 27 HA SER 27 -0.555 -3.280 9.073
166 HB2 SER 27 HB2 SER 27 -1.364 -4.811 6.598
167 HB3 SER 27 HB1 SER 27 -0.681 -5.459 8.089
168 HG SER 27 HG SER 27 -2.602 -5.478 8.936
169 H CYS 28 HN CYS 28 0.845 -1.374 8.254
170 HA CYS 28 HA CYS 28 3.048 -2.497 6.847
171 HB2 CYS 28 HB2 CYS 28 1.178 -1.460 5.182
172 HB3 CYS 28 HB1 CYS 28 2.162 -0.032 5.484
173 H ARG 29 HN ARG 29 2.680 -1.413 9.410
174 HA ARG 29 HA ARG 29 4.215 1.095 9.259
175 HB2 ARG 29 HB2 ARG 29 1.970 1.191 10.383
176 HB3 ARG 29 HB1 ARG 29 2.596 0.091 11.603
177 HG2 ARG 29 HG2 ARG 29 4.178 2.531 11.087
178 HG3 ARG 29 HG1 ARG 29 2.615 2.745 11.876
179 HD2 ARG 29 HD2 ARG 29 4.208 0.545 12.963
180 HD3 ARG 29 HD1 ARG 29 4.961 2.129 13.142
181 HE ARG 29 HE ARG 29 2.390 2.501 13.974
182 HH11 ARG 29 HH11 ARG 29 4.969 0.329 14.874
183 HH12 ARG 29 HH12 ARG 29 4.450 0.194 16.520
184 HH21 ARG 29 HH21 ARG 29 1.706 2.325 16.139
185 HH22 ARG 29 HH22 ARG 29 2.597 1.327 17.239
186 H ALA 30 HN ALA 30 4.185 -2.166 10.427
187 HA ALA 30 HA ALA 30 6.703 -1.687 11.874
188 HB1 ALA 30 HB1 ALA 30 6.237 -3.817 13.037
189 HB2 ALA 30 HB2 ALA 30 4.701 -3.920 12.175
190 HB3 ALA 30 HB3 ALA 30 4.991 -2.597 13.306
191 H ARG 31 HN ARG 31 5.181 -3.494 9.308
192 HA ARG 31 HA ARG 31 7.786 -4.737 8.706
193 HB2 ARG 31 HB2 ARG 31 5.023 -5.823 8.134
194 HB3 ARG 31 HB1 ARG 31 6.529 -6.569 7.617
195 HG2 ARG 31 HG2 ARG 31 6.016 -7.775 9.507
196 HG3 ARG 31 HG1 ARG 31 7.110 -6.546 10.146
197 HD2 ARG 31 HD2 ARG 31 5.495 -5.561 11.364
198 HD3 ARG 31 HD1 ARG 31 4.276 -5.777 10.108
199 HE ARG 31 HE ARG 31 5.005 -8.214 11.448
200 HH11 ARG 31 HH11 ARG 31 2.927 -5.412 11.533
201 HH12 ARG 31 HH12 ARG 31 1.717 -6.184 12.502
202 HH21 ARG 31 HH21 ARG 31 3.414 -9.231 12.721
203 HH22 ARG 31 HH22 ARG 31 1.992 -8.352 13.176
204 HA PRO 32 HA PRO 32 6.592 -1.991 5.152
205 HB2 PRO 32 HB2 PRO 32 8.862 -0.555 5.035
206 HB3 PRO 32 HB1 PRO 32 7.560 -0.148 6.159
207 HG2 PRO 32 HG2 PRO 32 10.115 -1.620 6.672
208 HG3 PRO 32 HG1 PRO 32 9.323 -0.376 7.656
209 HD2 PRO 32 HD2 PRO 32 9.146 -3.059 8.168
210 HD3 PRO 32 HD1 PRO 32 7.901 -1.884 8.634
211 H HIS 33 HN HIS 33 6.806 -4.171 4.150
212 HA HIS 33 HA HIS 33 8.921 -4.150 2.219
213 HB2 HIS 33 HB2 HIS 33 9.031 -5.982 4.543
214 HB3 HIS 33 HB1 HIS 33 9.342 -6.713 2.972
215 HD1 HIS 33 HD1 HIS 33 11.018 -5.021 5.653
216 HD2 HIS 33 HD2 HIS 33 11.490 -5.208 1.528
217 HE1 HIS 33 HE1 HIS 33 13.366 -4.238 5.209
218 HE2 HIS 33 HE2 HIS 33 13.600 -4.277 2.701
219 H SER 34 HN SER 34 6.581 -3.849 1.371
220 HA SER 34 HA SER 34 5.839 -6.331 0.132
221 HB2 SER 34 HB2 SER 34 4.477 -5.644 2.430
222 HB3 SER 34 HB1 SER 34 3.440 -5.006 1.154
223 HG SER 34 HG SER 34 3.071 -6.989 0.433
224 H ASP 35 HN ASP 35 4.894 -6.061 -1.833
225 HA ASP 35 HA ASP 35 5.266 -3.645 -3.185
226 HB2 ASP 35 HB2 ASP 35 4.998 -6.077 -4.086
227 HB3 ASP 35 HB1 ASP 35 3.283 -5.683 -4.141
228 H PHE 36 HN PHE 36 2.461 -4.924 -1.505
229 HA PHE 36 HA PHE 36 0.532 -3.195 -2.595
230 HB2 PHE 36 HB2 PHE 36 -0.889 -3.832 -0.781
231 HB3 PHE 36 HB1 PHE 36 0.055 -5.246 -1.231
232 HD1 PHE 36 HD1 PHE 36 0.074 -2.407 1.187
233 HD2 PHE 36 HD2 PHE 36 1.111 -6.461 0.413
234 HE1 PHE 36 HE1 PHE 36 0.783 -2.669 3.528
235 HE2 PHE 36 HE2 PHE 36 1.821 -6.729 2.753
236 HZ PHE 36 HZ PHE 36 1.658 -4.832 4.314
237 H CYS 37 HN CYS 37 3.101 -2.591 -0.418
238 HA CYS 37 HA CYS 37 1.903 -0.244 0.769
239 HB2 CYS 37 HB2 CYS 37 3.949 -1.944 1.517
240 HB3 CYS 37 HB1 CYS 37 4.810 -0.498 1.006
241 H LEU 38 HN LEU 38 4.581 -0.900 -1.484
242 HA LEU 38 HA LEU 38 5.267 1.744 -2.035
243 HB2 LEU 38 HB2 LEU 38 5.523 -0.819 -3.556
244 HB3 LEU 38 HB1 LEU 38 5.956 0.694 -4.328
245 HG LEU 38 HG LEU 38 7.950 -0.300 -3.449
246 HD11 LEU 38 HD11 LEU 38 8.806 1.578 -2.539
247 HD12 LEU 38 HD12 LEU 38 7.525 1.711 -1.334
248 HD13 LEU 38 HD13 LEU 38 7.238 2.247 -2.989
249 HD21 LEU 38 HD21 LEU 38 6.487 -1.548 -1.644
250 HD22 LEU 38 HD22 LEU 38 6.983 -0.187 -0.639
251 HD23 LEU 38 HD23 LEU 38 8.201 -1.227 -1.376
252 H GLY 39 HN GLY 39 2.617 -0.200 -3.181
253 HA2 GLY 39 HA2 GLY 39 1.943 1.610 -5.336
254 HA3 GLY 39 HA1 GLY 39 1.022 0.204 -4.824
255 H CYS 40 HN CYS 40 1.002 1.105 -2.010
256 HA CYS 40 HA CYS 40 -1.363 2.728 -2.183
257 HB2 CYS 40 HB2 CYS 40 -1.202 0.941 -0.519
258 HB3 CYS 40 HB1 CYS 40 0.180 1.737 0.224
259 H ALA 41 HN ALA 41 1.833 3.144 -0.662
260 HA ALA 41 HA ALA 41 3.013 4.996 -0.070
261 HB1 ALA 41 HB1 ALA 41 2.329 5.320 -2.657
262 HB2 ALA 41 HB2 ALA 41 3.345 6.448 -1.758
263 HB3 ALA 41 HB3 ALA 41 1.623 6.777 -1.957
264 H ALA 42 HN ALA 42 2.492 5.656 1.926
265 HA ALA 42 HA ALA 42 1.540 6.842 3.619
266 HB1 ALA 42 HB1 ALA 42 0.918 8.517 1.233
267 HB2 ALA 42 HB2 ALA 42 1.942 8.871 2.624
268 HB3 ALA 42 HB3 ALA 42 0.187 8.927 2.785
269 H ALA 43 HN ALA 43 -0.662 7.693 4.448
270 HA ALA 43 HA ALA 43 -2.780 5.886 3.476
271 HB1 ALA 43 HB1 ALA 43 -3.572 5.669 5.750
272 HB2 ALA 43 HB2 ALA 43 -2.340 6.796 6.318
273 HB3 ALA 43 HB3 ALA 43 -1.867 5.225 5.671
274 HA PRO 44 HA PRO 44 -5.328 9.441 2.893
275 HB2 PRO 44 HB2 PRO 44 -7.794 8.380 3.269
276 HB3 PRO 44 HB1 PRO 44 -6.819 8.046 1.834
277 HG2 PRO 44 HG2 PRO 44 -7.199 6.383 4.295
278 HG3 PRO 44 HG1 PRO 44 -7.185 5.877 2.595
279 HD2 PRO 44 HD2 PRO 44 -5.043 5.574 4.225
280 HD3 PRO 44 HD1 PRO 44 -4.882 5.878 2.484
281 HA PRO 45 HA PRO 45 -6.109 11.454 6.741
282 HB2 PRO 45 HB2 PRO 45 -8.624 12.436 5.483
283 HB3 PRO 45 HB1 PRO 45 -7.328 13.346 6.268
284 HG2 PRO 45 HG2 PRO 45 -7.558 13.330 3.616
285 HG3 PRO 45 HG1 PRO 45 -5.964 13.281 4.394
286 HD2 PRO 45 HD2 PRO 45 -7.504 11.085 3.082
287 HD3 PRO 45 HD1 PRO 45 -5.754 11.381 3.103
288 H ALA 46 HN ALA 46 -8.065 11.878 8.286
289 HA ALA 46 HA ALA 46 -9.551 9.347 8.499
290 HB1 ALA 46 HB1 ALA 46 -8.750 11.281 10.670
291 HB2 ALA 46 HB2 ALA 46 -7.998 9.722 10.330
292 HB3 ALA 46 HB3 ALA 46 -9.662 9.791 10.910
293 HA PRO 47 HA PRO 47 -13.158 11.904 7.742
294 HB2 PRO 47 HB2 PRO 47 -15.012 9.947 7.946
295 HB3 PRO 47 HB1 PRO 47 -13.974 10.127 6.526
296 HG2 PRO 47 HG2 PRO 47 -13.700 8.258 8.849
297 HG3 PRO 47 HG1 PRO 47 -13.480 7.932 7.120
298 HD2 PRO 47 HD2 PRO 47 -11.403 8.358 8.815
299 HD3 PRO 47 HD1 PRO 47 -11.352 8.807 7.099
300 H PHE 48 HN PHE 48 -15.381 12.123 8.845
301 HA PHE 48 HA PHE 48 -14.996 12.854 11.521
302 HB2 PHE 48 HB2 PHE 48 -16.732 13.812 10.014
303 HB3 PHE 48 HB1 PHE 48 -17.630 12.302 10.139
304 HD1 PHE 48 HD2 PHE 48 -16.283 15.107 12.162
305 HD2 PHE 48 HD1 PHE 48 -19.139 11.965 11.877
306 HE1 PHE 48 HE2 PHE 48 -17.407 15.950 14.182
307 HE2 PHE 48 HE1 PHE 48 -20.269 12.803 13.895
308 HZ PHE 48 HZ PHE 48 -19.403 14.797 15.051
309 H ARG 49 HN ARG 49 -16.275 12.048 13.390
310 HA ARG 49 HA ARG 49 -16.821 10.416 14.877
311 HB2 ARG 49 HB2 ARG 49 -18.485 9.900 12.994
312 HB3 ARG 49 HB1 ARG 49 -17.394 8.594 12.549
313 HG2 ARG 49 HG2 ARG 49 -19.016 7.591 13.893
314 HG3 ARG 49 HG1 ARG 49 -17.621 7.799 14.956
315 HD2 ARG 49 HD2 ARG 49 -18.624 9.818 15.888
316 HD3 ARG 49 HD1 ARG 49 -20.004 9.644 14.806
317 HE ARG 49 HE ARG 49 -19.523 8.209 17.248
318 HH11 ARG 49 HH11 ARG 49 -21.159 8.134 14.165
319 HH12 ARG 49 HH12 ARG 49 -22.377 7.025 14.698
320 HH21 ARG 49 HH21 ARG 49 -21.125 6.749 17.949
321 HH22 ARG 49 HH22 ARG 49 -22.357 6.237 16.846
322 H LEU 50 HN LEU 50 -14.111 10.671 13.900
323 HA LEU 50 HA LEU 50 -13.110 8.117 14.838
324 HB2 LEU 50 HB2 LEU 50 -13.021 8.914 12.043
325 HB3 LEU 50 HB1 LEU 50 -11.417 8.622 12.689
326 HG LEU 50 HG LEU 50 -13.571 6.592 13.128
327 HD11 LEU 50 HD11 LEU 50 -11.827 6.375 10.729
328 HD12 LEU 50 HD12 LEU 50 -13.274 7.379 10.636
329 HD13 LEU 50 HD13 LEU 50 -13.411 5.669 11.044
330 HD21 LEU 50 HD21 LEU 50 -11.027 6.739 13.997
331 HD22 LEU 50 HD22 LEU 50 -10.789 5.875 12.477
332 HD23 LEU 50 HD23 LEU 50 -11.876 5.221 13.702
333 H LEU 51 HN LEU 51 -10.810 8.187 15.358
334 HA LEU 51 HA LEU 51 -10.095 10.753 16.461
335 HB2 LEU 51 HB2 LEU 51 -9.162 7.959 16.733
336 HB3 LEU 51 HB1 LEU 51 -7.956 9.202 17.005
337 HG LEU 51 HG LEU 51 -10.555 9.485 18.421
338 HD11 LEU 51 HD11 LEU 51 -8.511 7.807 19.746
339 HD12 LEU 51 HD12 LEU 51 -9.513 7.036 18.517
340 HD13 LEU 51 HD13 LEU 51 -10.266 7.805 19.913
341 HD21 LEU 51 HD21 LEU 51 -8.291 10.923 18.432
342 HD22 LEU 51 HD22 LEU 51 -7.932 9.794 19.738
343 HD23 LEU 51 HD23 LEU 51 -9.373 10.808 19.820
344 H TRP 52 HN TRP 52 -7.590 11.232 16.332
345 HA TRP 52 HA TRP 52 -6.425 10.755 13.738
346 HB2 TRP 52 HB2 TRP 52 -8.118 12.918 13.918
347 HB3 TRP 52 HB1 TRP 52 -6.547 13.643 14.234
348 HD1 TRP 52 HD1 TRP 52 -8.316 14.135 11.560
349 HE1 TRP 52 HE1 TRP 52 -7.227 13.666 9.277
350 HE3 TRP 52 HE3 TRP 52 -4.566 10.996 13.069
351 HZ2 TRP 52 HZ2 TRP 52 -5.069 12.169 8.251
352 HZ3 TRP 52 HZ3 TRP 52 -3.035 10.091 11.372
353 HH2 TRP 52 HH2 TRP 52 -3.283 10.666 9.013
354 HA PRO 53 HA PRO 53 -3.452 11.056 17.318
355 HB2 PRO 53 HB2 PRO 53 -2.019 9.317 15.369
356 HB3 PRO 53 HB1 PRO 53 -2.192 9.141 17.119
357 HG2 PRO 53 HG2 PRO 53 -3.595 7.605 15.459
358 HG3 PRO 53 HG1 PRO 53 -4.320 8.233 16.951
359 HD2 PRO 53 HD2 PRO 53 -4.711 9.127 14.130
360 HD3 PRO 53 HD1 PRO 53 -5.882 9.048 15.463
Start of MODEL 4
1 H1 GLU 1 HT1 GLU 1 -13.220 -8.388 16.021
2 H2 GLU 1 HT2 GLU 1 -13.500 -9.829 15.134
3 H3 GLU 1 HT3 GLU 1 -14.654 -9.288 16.281
4 HA GLU 1 HA GLU 1 -13.876 -7.687 13.954
5 HB2 GLU 1 HB2 GLU 1 -15.774 -9.989 14.205
6 HB3 GLU 1 HB1 GLU 1 -16.181 -8.659 13.130
7 HG2 GLU 1 HG2 GLU 1 -14.738 -9.331 11.579
8 HG3 GLU 1 HG1 GLU 1 -13.457 -9.593 12.761
9 H GLN 2 HN GLN 2 -14.452 -7.023 16.756
10 HA GLN 2 HA GLN 2 -17.054 -5.682 16.459
11 HB2 GLN 2 HB2 GLN 2 -15.829 -7.093 18.643
12 HB3 GLN 2 HB1 GLN 2 -16.137 -5.430 19.121
13 HG2 GLN 2 HG2 GLN 2 -18.474 -5.665 18.516
14 HG3 GLN 2 HG1 GLN 2 -18.180 -7.314 17.966
15 HE21 GLN 2 HE21 GLN 2 -17.935 -8.944 19.454
16 HE22 GLN 2 HE22 GLN 2 -18.279 -8.744 21.135
17 H ALA 3 HN ALA 3 -13.710 -5.190 17.528
18 HA ALA 3 HA ALA 3 -14.018 -2.378 17.927
19 HB1 ALA 3 HB1 ALA 3 -11.323 -2.770 17.623
20 HB2 ALA 3 HB2 ALA 3 -11.879 -4.350 18.171
21 HB3 ALA 3 HB3 ALA 3 -12.214 -2.914 19.137
22 HA PRO 4 HA PRO 4 -11.692 -1.921 13.749
23 HB2 PRO 4 HB2 PRO 4 -11.148 -4.131 12.289
24 HB3 PRO 4 HB1 PRO 4 -10.065 -3.540 13.555
25 HG2 PRO 4 HG2 PRO 4 -12.078 -5.752 13.666
26 HG3 PRO 4 HG1 PRO 4 -10.427 -5.710 14.310
27 HD2 PRO 4 HD2 PRO 4 -12.625 -5.311 15.855
28 HD3 PRO 4 HD1 PRO 4 -11.057 -4.551 16.195
29 H GLY 5 HN GLY 5 -12.901 -1.176 12.114
30 HA2 GLY 5 HA2 GLY 5 -14.986 -2.905 10.978
31 HA3 GLY 5 HA1 GLY 5 -15.446 -1.330 11.607
32 H THR 6 HN THR 6 -12.916 -2.672 9.478
33 HA THR 6 HA THR 6 -13.287 -0.344 7.724
34 HB THR 6 HB THR 6 -11.016 -2.270 7.425
35 HG1 THR 6 HG1 THR 6 -11.270 -0.282 9.420
36 HG21 THR 6 HG21 THR 6 -10.827 -0.671 5.794
37 HG22 THR 6 HG22 THR 6 -9.853 0.027 7.087
38 HG23 THR 6 HG23 THR 6 -11.497 0.603 6.812
39 H ALA 7 HN ALA 7 -12.986 -0.780 5.361
40 HA ALA 7 HA ALA 7 -14.909 -2.624 4.462
41 HB1 ALA 7 HB1 ALA 7 -14.398 -1.895 2.281
42 HB2 ALA 7 HB2 ALA 7 -12.754 -1.441 2.732
43 HB3 ALA 7 HB3 ALA 7 -14.123 -0.495 3.319
44 HA PRO 8 HA PRO 8 -12.599 -6.379 4.140
45 HB2 PRO 8 HB2 PRO 8 -13.969 -7.643 2.178
46 HB3 PRO 8 HB1 PRO 8 -14.623 -7.423 3.805
47 HG2 PRO 8 HG2 PRO 8 -15.161 -5.845 1.318
48 HG3 PRO 8 HG1 PRO 8 -16.304 -6.420 2.547
49 HD2 PRO 8 HD2 PRO 8 -15.381 -3.869 2.477
50 HD3 PRO 8 HD1 PRO 8 -15.813 -4.692 3.989
51 H CYS 9 HN CYS 9 -10.995 -4.613 3.097
52 HA CYS 9 HA CYS 9 -9.350 -4.231 1.577
53 HB2 CYS 9 HB2 CYS 9 -9.560 -6.959 1.798
54 HB3 CYS 9 HB1 CYS 9 -9.710 -6.722 0.060
55 H SER 10 HN SER 10 -11.166 -2.714 0.810
56 HA SER 10 HA SER 10 -11.327 -2.990 -2.075
57 HB2 SER 10 HB2 SER 10 -13.466 -3.919 -0.723
58 HB3 SER 10 HB1 SER 10 -13.907 -2.215 -0.833
59 HG SER 10 HG SER 10 -14.518 -3.730 -2.628
60 H ARG 11 HN ARG 11 -10.675 -1.119 -2.884
61 HA ARG 11 HA ARG 11 -10.272 1.101 -3.165
62 HB2 ARG 11 HB2 ARG 11 -12.684 1.518 -1.392
63 HB3 ARG 11 HB1 ARG 11 -12.000 2.670 -2.532
64 HG2 ARG 11 HG2 ARG 11 -13.057 1.757 -4.278
65 HG3 ARG 11 HG1 ARG 11 -12.748 0.109 -3.730
66 HD2 ARG 11 HD2 ARG 11 -15.121 0.505 -3.721
67 HD3 ARG 11 HD1 ARG 11 -14.554 0.373 -2.057
68 HE ARG 11 HE ARG 11 -14.490 3.040 -2.539
69 HH11 ARG 11 HH11 ARG 11 -16.956 0.593 -2.873
70 HH12 ARG 11 HH12 ARG 11 -18.262 1.689 -2.567
71 HH21 ARG 11 HH21 ARG 11 -16.207 4.483 -2.136
72 HH22 ARG 11 HH22 ARG 11 -17.837 3.897 -2.150
73 H GLY 12 HN GLY 12 -8.419 1.678 -2.214
74 HA2 GLY 12 HA2 GLY 12 -7.553 3.232 -0.518
75 HA3 GLY 12 HA1 GLY 12 -8.524 2.362 0.659
76 H SER 13 HN SER 13 -7.768 -0.234 -0.648
77 HA SER 13 HA SER 13 -5.194 -0.511 0.719
78 HB2 SER 13 HB2 SER 13 -5.675 -2.831 0.931
79 HB3 SER 13 HB1 SER 13 -7.189 -1.995 1.278
80 HG SER 13 HG SER 13 -6.872 -3.881 -0.446
81 H SER 14 HN SER 14 -4.281 -2.841 -0.514
82 HA SER 14 HA SER 14 -4.095 -2.421 -3.343
83 HB2 SER 14 HB2 SER 14 -2.456 -0.798 -2.794
84 HB3 SER 14 HB1 SER 14 -1.765 -1.816 -1.530
85 HG SER 14 HG SER 14 -0.476 -1.866 -3.394
86 H TRP 15 HN TRP 15 -3.105 -4.152 -4.452
87 HA TRP 15 HA TRP 15 -3.212 -6.645 -2.994
88 HB2 TRP 15 HB2 TRP 15 -4.239 -6.806 -5.088
89 HB3 TRP 15 HB1 TRP 15 -2.976 -5.881 -5.889
90 HD1 TRP 15 HD1 TRP 15 -1.031 -7.211 -6.986
91 HE1 TRP 15 HE1 TRP 15 -0.470 -9.712 -7.218
92 HE3 TRP 15 HE3 TRP 15 -4.463 -9.127 -3.716
93 HZ2 TRP 15 HZ2 TRP 15 -1.365 -12.167 -6.156
94 HZ3 TRP 15 HZ3 TRP 15 -4.548 -11.561 -3.385
95 HH2 TRP 15 HH2 TRP 15 -3.030 -13.049 -4.581
96 H SER 16 HN SER 16 -1.486 -8.295 -3.300
97 HA SER 16 HA SER 16 1.173 -7.213 -3.701
98 HB2 SER 16 HB2 SER 16 0.126 -7.560 -1.129
99 HB3 SER 16 HB1 SER 16 1.182 -8.949 -1.383
100 HG SER 16 HG SER 16 2.874 -7.674 -1.403
101 H ALA 17 HN ALA 17 2.799 -8.828 -4.059
102 HA ALA 17 HA ALA 17 1.647 -11.379 -4.973
103 HB1 ALA 17 HB1 ALA 17 4.117 -9.941 -5.936
104 HB2 ALA 17 HB2 ALA 17 2.572 -10.052 -6.778
105 HB3 ALA 17 HB3 ALA 17 3.546 -11.500 -6.529
106 H ASP 18 HN ASP 18 3.725 -10.001 -2.667
107 HA ASP 18 HA ASP 18 5.754 -11.827 -2.321
108 HB2 ASP 18 HB2 ASP 18 4.155 -10.359 -0.214
109 HB3 ASP 18 HB1 ASP 18 5.661 -11.216 0.107
110 H LEU 19 HN LEU 19 2.368 -12.151 -1.522
111 HA LEU 19 HA LEU 19 2.683 -14.998 -1.197
112 HB2 LEU 19 HB2 LEU 19 1.299 -14.775 1.031
113 HB3 LEU 19 HB1 LEU 19 3.051 -14.730 1.039
114 HG LEU 19 HG LEU 19 2.815 -12.177 0.954
115 HD11 LEU 19 HD11 LEU 19 0.781 -11.201 1.639
116 HD12 LEU 19 HD12 LEU 19 0.071 -12.769 2.025
117 HD13 LEU 19 HD13 LEU 19 0.365 -12.324 0.343
118 HD21 LEU 19 HD21 LEU 19 2.343 -14.013 3.223
119 HD22 LEU 19 HD22 LEU 19 2.014 -12.303 3.503
120 HD23 LEU 19 HD23 LEU 19 3.615 -12.817 2.973
121 H ASP 20 HN ASP 20 1.252 -12.998 -2.887
122 HA ASP 20 HA ASP 20 -0.807 -12.599 -3.790
123 HB2 ASP 20 HB2 ASP 20 -0.603 -15.511 -3.292
124 HB3 ASP 20 HB1 ASP 20 -2.214 -14.904 -3.665
125 H LYS 21 HN LYS 21 -1.387 -11.139 -2.070
126 HA LYS 21 HA LYS 21 -3.937 -11.655 -1.011
127 HB2 LYS 21 HB2 LYS 21 -1.665 -12.379 0.689
128 HB3 LYS 21 HB1 LYS 21 -2.783 -11.264 1.462
129 HG2 LYS 21 HG2 LYS 21 -4.526 -13.043 0.448
130 HG3 LYS 21 HG1 LYS 21 -3.131 -14.089 0.721
131 HD2 LYS 21 HD2 LYS 21 -4.242 -12.233 2.817
132 HD3 LYS 21 HD1 LYS 21 -4.754 -13.913 2.642
133 HE2 LYS 21 HE2 LYS 21 -2.097 -14.263 2.686
134 HE3 LYS 21 HE1 LYS 21 -2.209 -12.791 3.651
135 HZ1 LYS 21 HZ1 LYS 21 -3.848 -13.947 5.063
136 HZ2 LYS 21 HZ2 LYS 21 -2.327 -14.687 5.085
137 HZ3 LYS 21 HZ3 LYS 21 -3.584 -15.368 4.184
138 H CYS 22 HN CYS 22 -4.894 -9.736 -0.915
139 HA CYS 22 HA CYS 22 -3.418 -7.328 -1.208
140 HB2 CYS 22 HB2 CYS 22 -5.564 -6.209 -1.166
141 HB3 CYS 22 HB1 CYS 22 -5.696 -7.673 -2.134
142 H MET 23 HN MET 23 -3.401 -5.506 0.222
143 HA MET 23 HA MET 23 -4.143 -5.866 2.970
144 HB2 MET 23 HB2 MET 23 -1.436 -6.408 2.085
145 HB3 MET 23 HB1 MET 23 -1.474 -5.110 3.270
146 HG2 MET 23 HG2 MET 23 -1.375 -6.783 4.747
147 HG3 MET 23 HG1 MET 23 -3.109 -6.898 4.453
148 HE1 MET 23 HE1 MET 23 0.048 -8.054 2.240
149 HE2 MET 23 HE2 MET 23 0.143 -9.712 2.833
150 HE3 MET 23 HE3 MET 23 0.380 -8.365 3.945
151 H ASP 24 HN ASP 24 -4.765 -3.972 3.777
152 HA ASP 24 HA ASP 24 -4.632 -1.602 2.256
153 HB2 ASP 24 HB2 ASP 24 -5.552 -0.525 4.336
154 HB3 ASP 24 HB1 ASP 24 -6.476 -1.906 3.754
155 H CYS 25 HN CYS 25 -3.909 0.515 3.465
156 HA CYS 25 HA CYS 25 -1.093 0.468 3.562
157 HB2 CYS 25 HB2 CYS 25 -2.938 2.624 4.608
158 HB3 CYS 25 HB1 CYS 25 -1.244 2.817 4.171
159 H ALA 26 HN ALA 26 -3.494 -0.045 5.987
160 HA ALA 26 HA ALA 26 -2.212 0.727 8.313
161 HB1 ALA 26 HB1 ALA 26 -4.548 -0.498 7.772
162 HB2 ALA 26 HB2 ALA 26 -3.861 -0.373 9.391
163 HB3 ALA 26 HB3 ALA 26 -3.639 -1.848 8.449
164 H SER 27 HN SER 27 -1.700 -2.134 6.339
165 HA SER 27 HA SER 27 -0.091 -3.551 8.176
166 HB2 SER 27 HB2 SER 27 -1.231 -4.413 6.030
167 HB3 SER 27 HB1 SER 27 0.181 -3.778 5.186
168 HG SER 27 HG SER 27 0.593 -5.902 5.691
169 H CYS 28 HN CYS 28 0.719 -1.388 5.482
170 HA CYS 28 HA CYS 28 3.528 -1.502 6.120
171 HB2 CYS 28 HB2 CYS 28 2.521 -1.359 3.761
172 HB3 CYS 28 HB1 CYS 28 2.247 0.343 4.116
173 H ARG 29 HN ARG 29 2.409 -0.595 8.331
174 HA ARG 29 HA ARG 29 2.479 2.329 8.286
175 HB2 ARG 29 HB2 ARG 29 0.795 0.626 9.576
176 HB3 ARG 29 HB1 ARG 29 1.972 0.943 10.841
177 HG2 ARG 29 HG2 ARG 29 1.409 3.154 11.008
178 HG3 ARG 29 HG1 ARG 29 0.836 3.246 9.340
179 HD2 ARG 29 HD2 ARG 29 -1.140 3.328 10.533
180 HD3 ARG 29 HD1 ARG 29 -1.008 1.612 10.156
181 HE ARG 29 HE ARG 29 0.220 1.984 12.611
182 HH11 ARG 29 HH11 ARG 29 -2.970 2.365 11.249
183 HH12 ARG 29 HH12 ARG 29 -3.783 2.049 12.744
184 HH21 ARG 29 HH21 ARG 29 -0.847 1.568 14.579
185 HH22 ARG 29 HH22 ARG 29 -2.577 1.598 14.636
186 H ALA 30 HN ALA 30 4.203 -0.453 9.511
187 HA ALA 30 HA ALA 30 6.321 1.354 10.468
188 HB1 ALA 30 HB1 ALA 30 5.018 0.396 12.358
189 HB2 ALA 30 HB2 ALA 30 6.730 -0.027 12.379
190 HB3 ALA 30 HB3 ALA 30 5.536 -1.208 11.840
191 H ARG 31 HN ARG 31 5.448 -1.666 8.940
192 HA ARG 31 HA ARG 31 8.288 -2.274 8.502
193 HB2 ARG 31 HB2 ARG 31 7.543 -4.535 7.920
194 HB3 ARG 31 HB1 ARG 31 6.996 -4.071 9.524
195 HG2 ARG 31 HG2 ARG 31 4.967 -3.325 7.711
196 HG3 ARG 31 HG1 ARG 31 5.465 -4.966 7.296
197 HD2 ARG 31 HD2 ARG 31 5.329 -5.288 9.914
198 HD3 ARG 31 HD1 ARG 31 4.219 -3.925 9.789
199 HE ARG 31 HE ARG 31 3.516 -5.858 7.877
200 HH11 ARG 31 HH11 ARG 31 3.505 -5.388 11.336
201 HH12 ARG 31 HH12 ARG 31 2.151 -6.432 11.600
202 HH21 ARG 31 HH21 ARG 31 1.734 -7.231 8.222
203 HH22 ARG 31 HH22 ARG 31 1.144 -7.480 9.831
204 HA PRO 32 HA PRO 32 7.106 -0.777 4.347
205 HB2 PRO 32 HB2 PRO 32 9.449 0.367 3.736
206 HB3 PRO 32 HB1 PRO 32 8.300 1.154 4.824
207 HG2 PRO 32 HG2 PRO 32 10.766 -0.406 5.484
208 HG3 PRO 32 HG1 PRO 32 10.180 1.111 6.189
209 HD2 PRO 32 HD2 PRO 32 9.829 -1.357 7.342
210 HD3 PRO 32 HD1 PRO 32 8.764 0.034 7.626
211 H HIS 33 HN HIS 33 7.084 -3.175 3.972
212 HA HIS 33 HA HIS 33 9.045 -3.846 1.991
213 HB2 HIS 33 HB2 HIS 33 9.864 -4.510 4.462
214 HB3 HIS 33 HB1 HIS 33 8.893 -5.933 4.100
215 HD1 HIS 33 HD1 HIS 33 11.375 -7.062 4.276
216 HD2 HIS 33 HD2 HIS 33 10.594 -4.713 0.938
217 HE1 HIS 33 HE1 HIS 33 13.122 -7.698 2.583
218 HE2 HIS 33 HE2 HIS 33 12.578 -6.323 0.543
219 H SER 34 HN SER 34 6.668 -3.570 1.225
220 HA SER 34 HA SER 34 5.677 -6.220 0.717
221 HB2 SER 34 HB2 SER 34 4.336 -4.391 2.573
222 HB3 SER 34 HB1 SER 34 3.284 -4.988 1.290
223 HG SER 34 HG SER 34 4.190 -7.134 1.909
224 H ASP 35 HN ASP 35 4.777 -6.394 -1.263
225 HA ASP 35 HA ASP 35 5.134 -4.391 -3.165
226 HB2 ASP 35 HB2 ASP 35 3.758 -7.013 -3.084
227 HB3 ASP 35 HB1 ASP 35 3.249 -5.913 -4.362
228 H PHE 36 HN PHE 36 2.247 -5.297 -1.330
229 HA PHE 36 HA PHE 36 0.426 -3.632 -2.662
230 HB2 PHE 36 HB2 PHE 36 -0.994 -3.871 -0.691
231 HB3 PHE 36 HB1 PHE 36 -0.264 -5.416 -1.111
232 HD1 PHE 36 HD2 PHE 36 0.252 -2.479 1.119
233 HD2 PHE 36 HD1 PHE 36 0.771 -6.661 0.529
234 HE1 PHE 36 HE2 PHE 36 1.099 -2.696 3.420
235 HE2 PHE 36 HE1 PHE 36 1.615 -6.886 2.827
236 HZ PHE 36 HZ PHE 36 1.781 -4.901 4.277
237 H CYS 37 HN CYS 37 2.895 -2.934 -0.338
238 HA CYS 37 HA CYS 37 1.889 -0.450 0.586
239 HB2 CYS 37 HB2 CYS 37 3.684 -1.784 1.715
240 HB3 CYS 37 HB1 CYS 37 4.781 -1.320 0.418
241 H LEU 38 HN LEU 38 3.737 -1.429 -2.213
242 HA LEU 38 HA LEU 38 4.720 1.073 -3.009
243 HB2 LEU 38 HB2 LEU 38 5.187 -1.319 -3.928
244 HB3 LEU 38 HB1 LEU 38 3.828 -0.996 -4.986
245 HG LEU 38 HG LEU 38 6.234 0.810 -4.829
246 HD11 LEU 38 HD11 LEU 38 6.736 -0.337 -7.091
247 HD12 LEU 38 HD12 LEU 38 5.754 -1.656 -6.452
248 HD13 LEU 38 HD13 LEU 38 7.209 -1.146 -5.597
249 HD21 LEU 38 HD21 LEU 38 3.764 0.671 -6.462
250 HD22 LEU 38 HD22 LEU 38 5.252 1.163 -7.272
251 HD23 LEU 38 HD23 LEU 38 4.662 2.072 -5.881
252 H GLY 39 HN GLY 39 1.581 -0.432 -3.385
253 HA2 GLY 39 HA2 GLY 39 0.587 1.443 -5.305
254 HA3 GLY 39 HA1 GLY 39 -0.371 0.308 -4.365
255 H CYS 40 HN CYS 40 0.567 1.248 -1.794
256 HA CYS 40 HA CYS 40 -1.265 3.435 -1.470
257 HB2 CYS 40 HB2 CYS 40 -1.052 1.639 0.217
258 HB3 CYS 40 HB1 CYS 40 0.596 2.161 0.547
259 H ALA 41 HN ALA 41 2.184 3.045 -0.637
260 HA ALA 41 HA ALA 41 3.875 4.557 -0.425
261 HB1 ALA 41 HB1 ALA 41 3.477 4.607 -2.877
262 HB2 ALA 41 HB2 ALA 41 4.155 6.104 -2.236
263 HB3 ALA 41 HB3 ALA 41 2.440 6.014 -2.638
264 H ALA 42 HN ALA 42 1.907 4.935 1.461
265 HA ALA 42 HA ALA 42 1.669 7.867 1.641
266 HB1 ALA 42 HB1 ALA 42 -0.415 6.316 1.663
267 HB2 ALA 42 HB2 ALA 42 -0.310 7.646 2.817
268 HB3 ALA 42 HB3 ALA 42 0.058 6.001 3.333
269 H ALA 43 HN ALA 43 4.041 6.336 2.332
270 HA ALA 43 HA ALA 43 4.278 7.205 5.117
271 HB1 ALA 43 HB1 ALA 43 3.867 4.605 4.692
272 HB2 ALA 43 HB2 ALA 43 4.914 5.204 5.978
273 HB3 ALA 43 HB3 ALA 43 5.615 4.645 4.460
274 HA PRO 44 HA PRO 44 7.695 8.964 2.541
275 HB2 PRO 44 HB2 PRO 44 7.824 10.568 5.051
276 HB3 PRO 44 HB1 PRO 44 7.904 11.102 3.370
277 HG2 PRO 44 HG2 PRO 44 5.690 11.462 4.802
278 HG3 PRO 44 HG1 PRO 44 5.604 11.006 3.090
279 HD2 PRO 44 HD2 PRO 44 5.154 9.338 5.523
280 HD3 PRO 44 HD1 PRO 44 4.344 9.276 3.945
281 HA PRO 45 HA PRO 45 11.106 6.731 4.224
282 HB2 PRO 45 HB2 PRO 45 12.688 9.218 3.784
283 HB3 PRO 45 HB1 PRO 45 13.011 7.568 3.241
284 HG2 PRO 45 HG2 PRO 45 12.107 9.404 1.539
285 HG3 PRO 45 HG1 PRO 45 11.539 7.726 1.455
286 HD2 PRO 45 HD2 PRO 45 10.155 10.147 2.516
287 HD3 PRO 45 HD1 PRO 45 9.483 8.746 1.658
288 H ALA 46 HN ALA 46 11.754 6.362 6.252
289 HA ALA 46 HA ALA 46 11.185 8.246 8.325
290 HB1 ALA 46 HB1 ALA 46 12.818 6.150 9.319
291 HB2 ALA 46 HB2 ALA 46 11.703 5.458 8.141
292 HB3 ALA 46 HB3 ALA 46 11.080 6.375 9.513
293 HA PRO 47 HA PRO 47 15.953 8.476 8.884
294 HB2 PRO 47 HB2 PRO 47 17.553 7.206 7.109
295 HB3 PRO 47 HB1 PRO 47 16.905 6.408 8.547
296 HG2 PRO 47 HG2 PRO 47 15.944 6.282 5.715
297 HG3 PRO 47 HG1 PRO 47 16.116 4.972 6.898
298 HD2 PRO 47 HD2 PRO 47 13.734 6.153 6.338
299 HD3 PRO 47 HD1 PRO 47 14.123 5.472 7.930
300 H PHE 48 HN PHE 48 17.801 9.599 7.736
301 HA PHE 48 HA PHE 48 16.702 11.227 5.550
302 HB2 PHE 48 HB2 PHE 48 17.602 12.162 7.852
303 HB3 PHE 48 HB1 PHE 48 19.164 12.011 7.054
304 HD1 PHE 48 HD1 PHE 48 15.755 13.390 6.440
305 HD2 PHE 48 HD2 PHE 48 19.947 13.791 5.827
306 HE1 PHE 48 HE1 PHE 48 15.380 15.546 5.317
307 HE2 PHE 48 HE2 PHE 48 19.580 15.948 4.703
308 HZ PHE 48 HZ PHE 48 17.295 16.829 4.446
309 H ARG 49 HN ARG 49 18.572 12.206 4.152
310 HA ARG 49 HA ARG 49 19.781 10.014 2.784
311 HB2 ARG 49 HB2 ARG 49 19.817 12.995 2.439
312 HB3 ARG 49 HB1 ARG 49 20.913 11.983 1.508
313 HG2 ARG 49 HG2 ARG 49 17.925 11.635 1.542
314 HG3 ARG 49 HG1 ARG 49 18.803 12.575 0.334
315 HD2 ARG 49 HD2 ARG 49 19.210 9.643 0.912
316 HD3 ARG 49 HD1 ARG 49 18.300 10.301 -0.447
317 HE ARG 49 HE ARG 49 21.156 10.113 -0.199
318 HH11 ARG 49 HH11 ARG 49 18.528 11.810 -1.745
319 HH12 ARG 49 HH12 ARG 49 19.483 12.313 -3.099
320 HH21 ARG 49 HH21 ARG 49 22.414 10.772 -1.980
321 HH22 ARG 49 HH22 ARG 49 21.689 11.723 -3.234
322 H LEU 50 HN LEU 50 22.023 9.656 2.425
323 HA LEU 50 HA LEU 50 23.671 10.454 4.718
324 HB2 LEU 50 HB2 LEU 50 23.301 8.014 4.152
325 HB3 LEU 50 HB1 LEU 50 24.262 8.287 2.710
326 HG LEU 50 HG LEU 50 26.056 9.162 4.401
327 HD11 LEU 50 HD11 LEU 50 25.734 7.473 6.451
328 HD12 LEU 50 HD12 LEU 50 24.044 7.865 6.129
329 HD13 LEU 50 HD13 LEU 50 25.194 9.153 6.490
330 HD21 LEU 50 HD21 LEU 50 26.592 7.308 3.090
331 HD22 LEU 50 HD22 LEU 50 25.329 6.312 3.816
332 HD23 LEU 50 HD23 LEU 50 26.772 6.723 4.744
333 H LEU 51 HN LEU 51 25.424 11.702 4.492
334 HA LEU 51 HA LEU 51 26.897 11.917 2.056
335 HB2 LEU 51 HB2 LEU 51 26.446 14.279 1.608
336 HB3 LEU 51 HB1 LEU 51 25.006 13.298 1.418
337 HG LEU 51 HG LEU 51 25.416 14.593 4.059
338 HD11 LEU 51 HD11 LEU 51 25.074 16.729 3.426
339 HD12 LEU 51 HD12 LEU 51 24.094 16.276 2.031
340 HD13 LEU 51 HD13 LEU 51 25.853 16.184 1.941
341 HD21 LEU 51 HD21 LEU 51 23.099 14.554 4.161
342 HD22 LEU 51 HD22 LEU 51 23.477 13.078 3.273
343 HD23 LEU 51 HD23 LEU 51 22.921 14.511 2.406
344 H TRP 52 HN TRP 52 28.627 13.624 2.240
345 HA TRP 52 HA TRP 52 29.875 13.392 4.796
346 HB2 TRP 52 HB2 TRP 52 30.650 14.146 2.132
347 HB3 TRP 52 HB1 TRP 52 31.234 15.352 3.275
348 HD1 TRP 52 HD1 TRP 52 33.382 14.766 4.579
349 HE1 TRP 52 HE1 TRP 52 34.848 12.664 4.822
350 HE3 TRP 52 HE3 TRP 52 30.388 11.401 2.159
351 HZ2 TRP 52 HZ2 TRP 52 34.749 9.941 4.085
352 HZ3 TRP 52 HZ3 TRP 52 31.147 9.068 1.971
353 HH2 TRP 52 HH2 TRP 52 33.284 8.355 2.914
354 HA PRO 53 HA PRO 53 29.162 18.304 4.728
355 HB2 PRO 53 HB2 PRO 53 26.559 18.150 3.277
356 HB3 PRO 53 HB1 PRO 53 27.790 19.417 3.247
357 HG2 PRO 53 HG2 PRO 53 27.550 17.719 1.214
358 HG3 PRO 53 HG1 PRO 53 29.147 18.250 1.770
359 HD2 PRO 53 HD2 PRO 53 27.760 15.643 2.192
360 HD3 PRO 53 HD1 PRO 53 29.488 15.982 1.965
Start of MODEL 5
1 H1 GLU 1 HT1 GLU 1 -16.422 -4.199 13.316
2 H2 GLU 1 HT2 GLU 1 -17.192 -3.456 14.659
3 H3 GLU 1 HT3 GLU 1 -17.413 -5.132 14.358
4 HA GLU 1 HA GLU 1 -14.781 -3.952 14.882
5 HB2 GLU 1 HB2 GLU 1 -16.945 -4.844 16.770
6 HB3 GLU 1 HB1 GLU 1 -15.252 -4.949 17.232
7 HG2 GLU 1 HG2 GLU 1 -14.980 -2.658 17.267
8 HG3 GLU 1 HG1 GLU 1 -16.361 -2.375 16.207
9 H GLN 2 HN GLN 2 -15.472 -5.922 12.961
10 HA GLN 2 HA GLN 2 -14.096 -8.232 14.133
11 HB2 GLN 2 HB2 GLN 2 -16.611 -8.329 12.463
12 HB3 GLN 2 HB1 GLN 2 -15.589 -9.729 12.763
13 HG2 GLN 2 HG2 GLN 2 -16.029 -8.766 15.286
14 HG3 GLN 2 HG1 GLN 2 -17.560 -8.442 14.476
15 HE21 GLN 2 HE21 GLN 2 -15.203 -11.075 14.191
16 HE22 GLN 2 HE22 GLN 2 -16.325 -12.346 14.525
17 H ALA 3 HN ALA 3 -13.641 -9.841 12.154
18 HA ALA 3 HA ALA 3 -12.980 -8.437 9.708
19 HB1 ALA 3 HB1 ALA 3 -10.632 -9.802 10.854
20 HB2 ALA 3 HB2 ALA 3 -11.098 -8.286 11.626
21 HB3 ALA 3 HB3 ALA 3 -10.735 -8.322 9.900
22 HA PRO 4 HA PRO 4 -14.391 -12.793 9.024
23 HB2 PRO 4 HB2 PRO 4 -14.731 -11.528 6.347
24 HB3 PRO 4 HB1 PRO 4 -15.828 -12.589 7.239
25 HG2 PRO 4 HG2 PRO 4 -16.302 -9.975 7.080
26 HG3 PRO 4 HG1 PRO 4 -16.614 -10.867 8.581
27 HD2 PRO 4 HD2 PRO 4 -14.367 -9.023 7.901
28 HD3 PRO 4 HD1 PRO 4 -15.207 -9.256 9.447
29 H GLY 5 HN GLY 5 -12.763 -10.958 6.421
30 HA2 GLY 5 HA2 GLY 5 -10.267 -11.927 6.420
31 HA3 GLY 5 HA1 GLY 5 -11.161 -13.293 5.769
32 H THR 6 HN THR 6 -13.028 -12.033 4.185
33 HA THR 6 HA THR 6 -13.330 -11.165 2.104
34 HB THR 6 HB THR 6 -10.895 -9.454 2.351
35 HG1 THR 6 HG1 THR 6 -13.191 -9.297 3.984
36 HG21 THR 6 HG21 THR 6 -13.426 -8.155 1.835
37 HG22 THR 6 HG22 THR 6 -13.080 -9.435 0.672
38 HG23 THR 6 HG23 THR 6 -11.924 -8.124 0.911
39 H ALA 7 HN ALA 7 -12.933 -12.324 0.348
40 HA ALA 7 HA ALA 7 -10.197 -13.283 -0.122
41 HB1 ALA 7 HB1 ALA 7 -12.564 -14.675 -0.065
42 HB2 ALA 7 HB2 ALA 7 -11.048 -15.236 -0.769
43 HB3 ALA 7 HB3 ALA 7 -12.262 -14.467 -1.790
44 HA PRO 8 HA PRO 8 -11.439 -11.586 -4.412
45 HB2 PRO 8 HB2 PRO 8 -14.037 -10.327 -4.297
46 HB3 PRO 8 HB1 PRO 8 -13.537 -11.733 -5.239
47 HG2 PRO 8 HG2 PRO 8 -15.299 -11.848 -3.147
48 HG3 PRO 8 HG1 PRO 8 -14.293 -13.210 -3.670
49 HD2 PRO 8 HD2 PRO 8 -13.878 -11.307 -1.394
50 HD3 PRO 8 HD1 PRO 8 -13.616 -13.062 -1.458
51 H CYS 9 HN CYS 9 -10.324 -10.171 -2.237
52 HA CYS 9 HA CYS 9 -9.597 -8.103 -1.623
53 HB2 CYS 9 HB2 CYS 9 -9.295 -8.204 -4.243
54 HB3 CYS 9 HB1 CYS 9 -10.545 -6.965 -4.221
55 H SER 10 HN SER 10 -10.256 -5.733 -1.395
56 HA SER 10 HA SER 10 -13.155 -5.363 -1.337
57 HB2 SER 10 HB2 SER 10 -12.524 -6.236 0.891
58 HB3 SER 10 HB1 SER 10 -11.385 -4.903 1.078
59 HG SER 10 HG SER 10 -14.202 -4.838 1.014
60 H ARG 11 HN ARG 11 -13.302 -2.962 -0.058
61 HA ARG 11 HA ARG 11 -12.334 -1.176 -2.056
62 HB2 ARG 11 HB2 ARG 11 -13.959 -0.943 0.423
63 HB3 ARG 11 HB1 ARG 11 -13.177 0.518 -0.164
64 HG2 ARG 11 HG2 ARG 11 -14.287 -0.438 -2.449
65 HG3 ARG 11 HG1 ARG 11 -15.462 -0.965 -1.242
66 HD2 ARG 11 HD2 ARG 11 -14.531 1.791 -0.894
67 HD3 ARG 11 HD1 ARG 11 -15.393 1.505 -2.405
68 HE ARG 11 HE ARG 11 -17.334 1.178 -1.215
69 HH11 ARG 11 HH11 ARG 11 -14.624 1.267 0.985
70 HH12 ARG 11 HH12 ARG 11 -15.617 1.343 2.401
71 HH21 ARG 11 HH21 ARG 11 -18.639 1.277 0.647
72 HH22 ARG 11 HH22 ARG 11 -17.895 1.346 2.209
73 H GLY 12 HN GLY 12 -10.879 0.576 -1.804
74 HA2 GLY 12 HA2 GLY 12 -8.928 1.570 -1.117
75 HA3 GLY 12 HA1 GLY 12 -9.361 1.074 0.512
76 H SER 13 HN SER 13 -7.527 0.249 1.319
77 HA SER 13 HA SER 13 -5.638 -1.009 1.540
78 HB2 SER 13 HB2 SER 13 -6.033 -3.297 1.443
79 HB3 SER 13 HB1 SER 13 -7.671 -2.651 1.520
80 HG SER 13 HG SER 13 -7.578 -4.157 -0.128
81 H SER 14 HN SER 14 -4.499 -3.006 -0.042
82 HA SER 14 HA SER 14 -4.137 -1.974 -2.703
83 HB2 SER 14 HB2 SER 14 -2.008 -1.739 -0.593
84 HB3 SER 14 HB1 SER 14 -1.580 -1.882 -2.297
85 HG SER 14 HG SER 14 -2.833 -0.015 -2.692
86 H TRP 15 HN TRP 15 -3.648 -3.554 -4.099
87 HA TRP 15 HA TRP 15 -3.703 -6.241 -3.340
88 HB2 TRP 15 HB2 TRP 15 -4.337 -5.791 -5.556
89 HB3 TRP 15 HB1 TRP 15 -2.902 -4.823 -5.869
90 HD1 TRP 15 HD1 TRP 15 -0.955 -6.005 -7.066
91 HE1 TRP 15 HE1 TRP 15 -0.427 -8.433 -7.734
92 HE3 TRP 15 HE3 TRP 15 -4.770 -8.376 -4.621
93 HZ2 TRP 15 HZ2 TRP 15 -1.487 -11.008 -7.282
94 HZ3 TRP 15 HZ3 TRP 15 -4.944 -10.821 -4.794
95 HH2 TRP 15 HH2 TRP 15 -3.335 -12.110 -6.100
96 H SER 16 HN SER 16 -2.003 -7.872 -3.663
97 HA SER 16 HA SER 16 0.710 -6.892 -3.337
98 HB2 SER 16 HB2 SER 16 0.024 -9.164 -1.583
99 HB3 SER 16 HB1 SER 16 1.065 -7.774 -1.273
100 HG SER 16 HG SER 16 -1.050 -7.968 -0.101
101 H ALA 17 HN ALA 17 2.171 -8.048 -4.449
102 HA ALA 17 HA ALA 17 1.218 -10.431 -5.849
103 HB1 ALA 17 HB1 ALA 17 2.114 -8.882 -7.360
104 HB2 ALA 17 HB2 ALA 17 3.381 -10.092 -7.162
105 HB3 ALA 17 HB3 ALA 17 3.503 -8.544 -6.326
106 H ASP 18 HN ASP 18 3.310 -9.509 -3.287
107 HA ASP 18 HA ASP 18 5.294 -11.420 -3.314
108 HB2 ASP 18 HB2 ASP 18 4.638 -9.484 -1.592
109 HB3 ASP 18 HB1 ASP 18 3.999 -10.858 -0.694
110 H LEU 19 HN LEU 19 1.911 -11.779 -2.525
111 HA LEU 19 HA LEU 19 2.204 -14.662 -2.588
112 HB2 LEU 19 HB2 LEU 19 0.738 -14.766 -0.448
113 HB3 LEU 19 HB1 LEU 19 2.475 -14.576 -0.303
114 HG LEU 19 HG LEU 19 1.234 -11.984 -0.427
115 HD11 LEU 19 HD11 LEU 19 -0.048 -12.054 1.636
116 HD12 LEU 19 HD12 LEU 19 0.204 -13.795 1.751
117 HD13 LEU 19 HD13 LEU 19 -0.753 -13.129 0.428
118 HD21 LEU 19 HD21 LEU 19 3.431 -12.379 0.489
119 HD22 LEU 19 HD22 LEU 19 2.762 -13.454 1.717
120 HD23 LEU 19 HD23 LEU 19 2.378 -11.734 1.748
121 H ASP 20 HN ASP 20 0.854 -12.405 -4.059
122 HA ASP 20 HA ASP 20 -1.166 -11.870 -4.991
123 HB2 ASP 20 HB2 ASP 20 -0.670 -14.708 -5.228
124 HB3 ASP 20 HB1 ASP 20 -2.402 -14.385 -5.205
125 H LYS 21 HN LYS 21 -1.945 -10.775 -3.099
126 HA LYS 21 HA LYS 21 -4.531 -11.548 -2.347
127 HB2 LYS 21 HB2 LYS 21 -2.373 -12.580 -0.665
128 HB3 LYS 21 HB1 LYS 21 -3.557 -11.644 0.237
129 HG2 LYS 21 HG2 LYS 21 -5.096 -13.247 0.092
130 HG3 LYS 21 HG1 LYS 21 -4.774 -13.526 -1.621
131 HD2 LYS 21 HD2 LYS 21 -2.915 -14.948 -1.105
132 HD3 LYS 21 HD1 LYS 21 -3.014 -14.539 0.608
133 HE2 LYS 21 HE2 LYS 21 -4.648 -16.025 0.985
134 HE3 LYS 21 HE1 LYS 21 -5.506 -15.595 -0.494
135 HZ1 LYS 21 HZ1 LYS 21 -4.300 -17.930 -0.129
136 HZ2 LYS 21 HZ2 LYS 21 -3.029 -17.072 -0.843
137 HZ3 LYS 21 HZ3 LYS 21 -4.507 -17.225 -1.653
138 H CYS 22 HN CYS 22 -5.558 -9.712 -1.934
139 HA CYS 22 HA CYS 22 -4.267 -7.238 -1.762
140 HB2 CYS 22 HB2 CYS 22 -7.086 -8.059 -1.061
141 HB3 CYS 22 HB1 CYS 22 -6.540 -6.386 -1.038
142 H MET 23 HN MET 23 -4.234 -5.702 -0.019
143 HA MET 23 HA MET 23 -4.698 -6.557 2.666
144 HB2 MET 23 HB2 MET 23 -2.013 -6.761 1.492
145 HB3 MET 23 HB1 MET 23 -2.068 -5.866 3.006
146 HG2 MET 23 HG2 MET 23 -2.528 -7.695 4.229
147 HG3 MET 23 HG1 MET 23 -3.540 -8.412 2.977
148 HE1 MET 23 HE1 MET 23 -0.003 -10.244 4.331
149 HE2 MET 23 HE2 MET 23 -1.213 -9.208 5.090
150 HE3 MET 23 HE3 MET 23 0.280 -8.507 4.466
151 H ASP 24 HN ASP 24 -4.905 -4.854 4.046
152 HA ASP 24 HA ASP 24 -5.295 -2.293 2.987
153 HB2 ASP 24 HB2 ASP 24 -4.878 -3.161 5.855
154 HB3 ASP 24 HB1 ASP 24 -5.434 -1.562 5.370
155 H CYS 25 HN CYS 25 -4.190 -0.289 3.704
156 HA CYS 25 HA CYS 25 -1.356 -0.532 3.233
157 HB2 CYS 25 HB2 CYS 25 -2.814 1.268 2.238
158 HB3 CYS 25 HB1 CYS 25 -2.924 1.977 3.844
159 H ALA 26 HN ALA 26 -3.469 0.084 5.934
160 HA ALA 26 HA ALA 26 -1.488 1.128 7.693
161 HB1 ALA 26 HB1 ALA 26 -3.864 1.543 8.048
162 HB2 ALA 26 HB2 ALA 26 -3.144 0.757 9.453
163 HB3 ALA 26 HB3 ALA 26 -4.132 -0.177 8.331
164 H SER 27 HN SER 27 0.295 -0.183 7.796
165 HA SER 27 HA SER 27 0.238 -2.339 9.606
166 HB2 SER 27 HB2 SER 27 -0.720 -3.624 7.792
167 HB3 SER 27 HB1 SER 27 0.542 -3.080 6.688
168 HG SER 27 HG SER 27 1.092 -4.534 9.054
169 H CYS 28 HN CYS 28 1.972 -0.977 6.830
170 HA CYS 28 HA CYS 28 4.510 -1.503 8.129
171 HB2 CYS 28 HB2 CYS 28 5.488 -0.671 5.982
172 HB3 CYS 28 HB1 CYS 28 4.447 -2.078 5.800
173 H ARG 29 HN ARG 29 2.950 0.358 9.470
174 HA ARG 29 HA ARG 29 3.582 3.033 8.730
175 HB2 ARG 29 HB2 ARG 29 1.671 2.178 10.241
176 HB3 ARG 29 HB1 ARG 29 2.876 2.168 11.522
177 HG2 ARG 29 HG2 ARG 29 3.163 4.499 11.415
178 HG3 ARG 29 HG1 ARG 29 2.317 4.611 9.870
179 HD2 ARG 29 HD2 ARG 29 0.247 4.423 10.833
180 HD3 ARG 29 HD1 ARG 29 0.851 3.500 12.208
181 HE ARG 29 HE ARG 29 1.778 6.218 12.154
182 HH11 ARG 29 HH11 ARG 29 -0.815 4.105 13.149
183 HH12 ARG 29 HH12 ARG 29 -1.367 5.166 14.400
184 HH21 ARG 29 HH21 ARG 29 1.053 7.615 13.800
185 HH22 ARG 29 HH22 ARG 29 -0.308 7.160 14.770
186 H ALA 30 HN ALA 30 5.265 0.564 10.453
187 HA ALA 30 HA ALA 30 7.154 2.490 11.591
188 HB1 ALA 30 HB1 ALA 30 6.103 0.371 12.780
189 HB2 ALA 30 HB2 ALA 30 7.745 0.911 13.125
190 HB3 ALA 30 HB3 ALA 30 7.475 -0.432 12.015
191 H ARG 31 HN ARG 31 7.196 -0.486 9.623
192 HA ARG 31 HA ARG 31 9.535 0.573 8.214
193 HB2 ARG 31 HB2 ARG 31 9.332 -2.167 9.464
194 HB3 ARG 31 HB1 ARG 31 10.541 -1.737 8.262
195 HG2 ARG 31 HG2 ARG 31 11.765 -1.337 10.116
196 HG3 ARG 31 HG1 ARG 31 10.976 0.237 9.996
197 HD2 ARG 31 HD2 ARG 31 9.544 -0.198 11.744
198 HD3 ARG 31 HD1 ARG 31 9.634 -1.944 11.523
199 HE ARG 31 HE ARG 31 11.362 -0.308 13.130
200 HH11 ARG 31 HH11 ARG 31 11.104 -3.305 11.361
201 HH12 ARG 31 HH12 ARG 31 12.333 -4.102 12.286
202 HH21 ARG 31 HH21 ARG 31 12.981 -1.353 14.345
203 HH22 ARG 31 HH22 ARG 31 13.401 -2.993 13.977
204 HA PRO 32 HA PRO 32 7.059 -0.884 4.798
205 HB2 PRO 32 HB2 PRO 32 8.686 -0.156 2.795
206 HB3 PRO 32 HB1 PRO 32 7.816 1.042 3.761
207 HG2 PRO 32 HG2 PRO 32 10.670 0.163 3.956
208 HG3 PRO 32 HG1 PRO 32 9.994 1.799 4.053
209 HD2 PRO 32 HD2 PRO 32 10.700 0.298 6.240
210 HD3 PRO 32 HD1 PRO 32 9.472 1.578 6.270
211 H HIS 33 HN HIS 33 6.908 -3.038 4.592
212 HA HIS 33 HA HIS 33 8.957 -4.443 3.118
213 HB2 HIS 33 HB2 HIS 33 9.024 -6.308 4.843
214 HB3 HIS 33 HB1 HIS 33 9.885 -4.831 5.266
215 HD1 HIS 33 HD1 HIS 33 6.247 -4.569 5.657
216 HD2 HIS 33 HD2 HIS 33 9.485 -5.738 7.985
217 HE1 HIS 33 HE1 HIS 33 5.403 -4.581 8.025
218 HE2 HIS 33 HE2 HIS 33 7.351 -5.388 9.403
219 H SER 34 HN SER 34 6.710 -4.003 1.979
220 HA SER 34 HA SER 34 5.487 -6.558 1.709
221 HB2 SER 34 HB2 SER 34 4.121 -4.446 3.278
222 HB3 SER 34 HB1 SER 34 3.133 -5.307 2.097
223 HG SER 34 HG SER 34 4.077 -7.269 3.125
224 H ASP 35 HN ASP 35 4.453 -6.792 -0.232
225 HA ASP 35 HA ASP 35 5.080 -5.004 -2.291
226 HB2 ASP 35 HB2 ASP 35 3.443 -7.459 -2.028
227 HB3 ASP 35 HB1 ASP 35 3.073 -6.424 -3.405
228 H PHE 36 HN PHE 36 2.049 -5.517 -0.520
229 HA PHE 36 HA PHE 36 0.475 -3.734 -2.016
230 HB2 PHE 36 HB2 PHE 36 -0.980 -3.679 0.046
231 HB3 PHE 36 HB1 PHE 36 -0.633 -5.285 -0.584
232 HD1 PHE 36 HD1 PHE 36 0.250 -2.862 2.060
233 HD2 PHE 36 HD2 PHE 36 0.468 -6.898 0.730
234 HE1 PHE 36 HE1 PHE 36 1.077 -3.543 4.275
235 HE2 PHE 36 HE2 PHE 36 1.295 -7.587 2.942
236 HZ PHE 36 HZ PHE 36 1.600 -5.909 4.718
237 H CYS 37 HN CYS 37 2.796 -3.210 0.519
238 HA CYS 37 HA CYS 37 1.955 -0.536 1.122
239 HB2 CYS 37 HB2 CYS 37 4.317 -2.233 1.848
240 HB3 CYS 37 HB1 CYS 37 4.361 -0.501 2.159
241 H LEU 38 HN LEU 38 4.229 -2.036 -1.071
242 HA LEU 38 HA LEU 38 5.687 0.277 -1.772
243 HB2 LEU 38 HB2 LEU 38 6.270 -2.151 -2.251
244 HB3 LEU 38 HB1 LEU 38 5.135 -2.064 -3.584
245 HG LEU 38 HG LEU 38 7.099 0.101 -3.621
246 HD11 LEU 38 HD11 LEU 38 8.823 -1.193 -2.941
247 HD12 LEU 38 HD12 LEU 38 8.755 -1.750 -4.612
248 HD13 LEU 38 HD13 LEU 38 7.994 -2.699 -3.335
249 HD21 LEU 38 HD21 LEU 38 6.910 -1.863 -5.806
250 HD22 LEU 38 HD22 LEU 38 6.840 -0.101 -5.850
251 HD23 LEU 38 HD23 LEU 38 5.412 -1.030 -5.395
252 H GLY 39 HN GLY 39 2.619 -1.020 -2.819
253 HA2 GLY 39 HA2 GLY 39 2.411 0.807 -5.063
254 HA3 GLY 39 HA1 GLY 39 1.191 -0.342 -4.534
255 H CYS 40 HN CYS 40 1.133 0.529 -1.792
256 HA CYS 40 HA CYS 40 -0.822 2.538 -1.969
257 HB2 CYS 40 HB2 CYS 40 -0.757 0.966 -0.106
258 HB3 CYS 40 HB1 CYS 40 0.791 1.618 0.420
259 H ALA 41 HN ALA 41 2.630 2.684 -1.646
260 HA ALA 41 HA ALA 41 2.954 5.228 -0.547
261 HB1 ALA 41 HB1 ALA 41 5.142 4.905 -0.935
262 HB2 ALA 41 HB2 ALA 41 4.888 4.506 -2.633
263 HB3 ALA 41 HB3 ALA 41 4.640 3.278 -1.393
264 H ALA 42 HN ALA 42 3.167 4.369 -4.008
265 HA ALA 42 HA ALA 42 1.880 6.919 -4.666
266 HB1 ALA 42 HB1 ALA 42 4.645 6.126 -5.337
267 HB2 ALA 42 HB2 ALA 42 3.944 7.728 -5.110
268 HB3 ALA 42 HB3 ALA 42 3.704 6.870 -6.631
269 H ALA 43 HN ALA 43 1.834 6.911 -7.308
270 HA ALA 43 HA ALA 43 0.628 4.321 -8.035
271 HB1 ALA 43 HB1 ALA 43 -0.180 6.996 -9.149
272 HB2 ALA 43 HB2 ALA 43 -0.956 6.252 -7.751
273 HB3 ALA 43 HB3 ALA 43 -1.014 5.451 -9.321
274 HA PRO 44 HA PRO 44 4.386 4.458 -10.694
275 HB2 PRO 44 HB2 PRO 44 3.244 2.093 -11.899
276 HB3 PRO 44 HB1 PRO 44 4.694 2.237 -10.909
277 HG2 PRO 44 HG2 PRO 44 1.999 1.381 -10.143
278 HG3 PRO 44 HG1 PRO 44 3.535 1.144 -9.297
279 HD2 PRO 44 HD2 PRO 44 1.594 2.820 -8.408
280 HD3 PRO 44 HD1 PRO 44 3.320 3.098 -8.105
281 HA PRO 45 HA PRO 45 1.356 4.028 -14.658
282 HB2 PRO 45 HB2 PRO 45 -0.998 5.004 -13.091
283 HB3 PRO 45 HB1 PRO 45 -0.952 3.947 -14.507
284 HG2 PRO 45 HG2 PRO 45 -1.322 2.951 -12.057
285 HG3 PRO 45 HG1 PRO 45 -0.359 2.087 -13.270
286 HD2 PRO 45 HD2 PRO 45 0.524 3.542 -10.844
287 HD3 PRO 45 HD1 PRO 45 1.292 2.193 -11.700
288 H ALA 46 HN ALA 46 2.099 5.753 -15.720
289 HA ALA 46 HA ALA 46 2.316 8.339 -14.537
290 HB1 ALA 46 HB1 ALA 46 2.579 8.481 -17.375
291 HB2 ALA 46 HB2 ALA 46 3.377 7.018 -16.797
292 HB3 ALA 46 HB3 ALA 46 3.832 8.589 -16.138
293 HA PRO 47 HA PRO 47 -1.152 9.633 -17.617
294 HB2 PRO 47 HB2 PRO 47 -2.424 7.697 -19.029
295 HB3 PRO 47 HB1 PRO 47 -0.961 8.501 -19.608
296 HG2 PRO 47 HG2 PRO 47 -1.258 5.837 -18.276
297 HG3 PRO 47 HG1 PRO 47 -0.256 6.286 -19.669
298 HD2 PRO 47 HD2 PRO 47 0.748 6.028 -17.165
299 HD3 PRO 47 HD1 PRO 47 1.404 7.180 -18.345
300 H PHE 48 HN PHE 48 -3.168 10.066 -16.889
301 HA PHE 48 HA PHE 48 -4.269 8.280 -14.856
302 HB2 PHE 48 HB2 PHE 48 -3.920 10.764 -14.455
303 HB3 PHE 48 HB1 PHE 48 -5.242 11.045 -15.584
304 HD1 PHE 48 HD2 PHE 48 -4.425 9.230 -12.441
305 HD2 PHE 48 HD1 PHE 48 -7.424 11.097 -14.816
306 HE1 PHE 48 HE2 PHE 48 -6.042 8.957 -10.607
307 HE2 PHE 48 HE1 PHE 48 -9.045 10.829 -12.985
308 HZ PHE 48 HZ PHE 48 -8.356 9.758 -10.877
309 H ARG 49 HN ARG 49 -5.011 9.622 -18.001
310 HA ARG 49 HA ARG 49 -7.638 8.321 -17.980
311 HB2 ARG 49 HB2 ARG 49 -7.022 10.790 -18.815
312 HB3 ARG 49 HB1 ARG 49 -6.741 9.921 -20.318
313 HG2 ARG 49 HG2 ARG 49 -9.215 9.044 -19.219
314 HG3 ARG 49 HG1 ARG 49 -9.192 10.808 -19.226
315 HD2 ARG 49 HD2 ARG 49 -9.861 10.593 -21.357
316 HD3 ARG 49 HD1 ARG 49 -8.162 10.251 -21.678
317 HE ARG 49 HE ARG 49 -9.306 7.833 -21.021
318 HH11 ARG 49 HH11 ARG 49 -9.781 10.271 -23.473
319 HH12 ARG 49 HH12 ARG 49 -10.350 9.145 -24.659
320 HH21 ARG 49 HH21 ARG 49 -10.056 6.352 -22.579
321 HH22 ARG 49 HH22 ARG 49 -10.506 6.920 -24.153
322 H LEU 50 HN LEU 50 -4.462 7.835 -19.089
323 HA LEU 50 HA LEU 50 -3.504 6.199 -20.343
324 HB2 LEU 50 HB2 LEU 50 -6.058 5.097 -19.536
325 HB3 LEU 50 HB1 LEU 50 -5.584 4.492 -21.113
326 HG LEU 50 HG LEU 50 -3.517 4.426 -18.985
327 HD11 LEU 50 HD11 LEU 50 -4.658 2.050 -18.519
328 HD12 LEU 50 HD12 LEU 50 -6.105 3.012 -18.821
329 HD13 LEU 50 HD13 LEU 50 -4.982 3.484 -17.545
330 HD21 LEU 50 HD21 LEU 50 -2.935 3.619 -21.155
331 HD22 LEU 50 HD22 LEU 50 -4.378 2.607 -21.227
332 HD23 LEU 50 HD23 LEU 50 -3.089 2.225 -20.087
333 H LEU 51 HN LEU 51 -3.162 7.774 -21.989
334 HA LEU 51 HA LEU 51 -5.031 7.670 -24.249
335 HB2 LEU 51 HB2 LEU 51 -2.712 9.552 -23.825
336 HB3 LEU 51 HB1 LEU 51 -3.951 9.674 -25.059
337 HG LEU 51 HG LEU 51 -4.763 9.738 -22.184
338 HD11 LEU 51 HD11 LEU 51 -4.053 11.839 -21.778
339 HD12 LEU 51 HD12 LEU 51 -4.197 12.332 -23.465
340 HD13 LEU 51 HD13 LEU 51 -2.796 11.403 -22.933
341 HD21 LEU 51 HD21 LEU 51 -5.861 10.513 -24.819
342 HD22 LEU 51 HD22 LEU 51 -6.275 11.540 -23.446
343 HD23 LEU 51 HD23 LEU 51 -6.666 9.821 -23.410
344 H TRP 52 HN TRP 52 -4.103 7.582 -26.435
345 HA TRP 52 HA TRP 52 -1.785 5.772 -26.496
346 HB2 TRP 52 HB2 TRP 52 -4.185 5.190 -27.447
347 HB3 TRP 52 HB1 TRP 52 -3.605 6.096 -28.841
348 HD1 TRP 52 HD1 TRP 52 -2.873 4.402 -30.609
349 HE1 TRP 52 HE1 TRP 52 -1.483 2.235 -30.628
350 HE3 TRP 52 HE3 TRP 52 -2.029 3.935 -25.588
351 HZ2 TRP 52 HZ2 TRP 52 -0.199 0.551 -28.761
352 HZ3 TRP 52 HZ3 TRP 52 -0.711 2.018 -24.787
353 HH2 TRP 52 HH2 TRP 52 0.184 0.362 -26.341
354 HA PRO 53 HA PRO 53 -0.041 9.594 -28.330
355 HB2 PRO 53 HB2 PRO 53 2.534 8.997 -27.706
356 HB3 PRO 53 HB1 PRO 53 1.418 9.754 -26.564
357 HG2 PRO 53 HG2 PRO 53 2.225 6.880 -26.802
358 HG3 PRO 53 HG1 PRO 53 2.038 7.872 -25.344
359 HD2 PRO 53 HD2 PRO 53 0.144 6.121 -26.160
360 HD3 PRO 53 HD1 PRO 53 -0.257 7.636 -25.324
Start of MODEL 6
1 H1 GLU 1 HT1 GLU 1 -21.742 -13.466 -11.537
2 H2 GLU 1 HT2 GLU 1 -20.609 -12.195 -11.321
3 H3 GLU 1 HT3 GLU 1 -22.264 -11.946 -10.941
4 HA GLU 1 HA GLU 1 -22.026 -13.767 -9.291
5 HB2 GLU 1 HB2 GLU 1 -19.096 -13.117 -9.629
6 HB3 GLU 1 HB1 GLU 1 -19.810 -14.348 -8.597
7 HG2 GLU 1 HG2 GLU 1 -19.695 -14.340 -11.601
8 HG3 GLU 1 HG1 GLU 1 -18.823 -15.405 -10.499
9 H GLN 2 HN GLN 2 -23.160 -12.136 -8.238
10 HA GLN 2 HA GLN 2 -21.538 -9.963 -7.091
11 HB2 GLN 2 HB2 GLN 2 -23.785 -9.678 -8.544
12 HB3 GLN 2 HB1 GLN 2 -24.496 -9.834 -6.944
13 HG2 GLN 2 HG2 GLN 2 -24.193 -7.630 -6.816
14 HG3 GLN 2 HG1 GLN 2 -22.511 -8.037 -6.479
15 HE21 GLN 2 HE21 GLN 2 -22.182 -5.850 -7.346
16 HE22 GLN 2 HE22 GLN 2 -22.009 -5.659 -9.054
17 H ALA 3 HN ALA 3 -23.699 -12.610 -6.379
18 HA ALA 3 HA ALA 3 -24.277 -12.059 -3.701
19 HB1 ALA 3 HB1 ALA 3 -25.556 -13.812 -4.246
20 HB2 ALA 3 HB2 ALA 3 -24.168 -14.793 -3.773
21 HB3 ALA 3 HB3 ALA 3 -24.419 -14.380 -5.469
22 HA PRO 4 HA PRO 4 -20.337 -14.906 -2.714
23 HB2 PRO 4 HB2 PRO 4 -18.762 -14.004 -5.080
24 HB3 PRO 4 HB1 PRO 4 -18.762 -15.568 -4.259
25 HG2 PRO 4 HG2 PRO 4 -19.996 -15.268 -6.597
26 HG3 PRO 4 HG1 PRO 4 -20.700 -16.276 -5.319
27 HD2 PRO 4 HD2 PRO 4 -21.476 -13.541 -6.225
28 HD3 PRO 4 HD1 PRO 4 -22.496 -14.869 -5.637
29 H GLY 5 HN GLY 5 -19.688 -13.681 -1.051
30 HA2 GLY 5 HA2 GLY 5 -18.505 -11.040 -1.641
31 HA3 GLY 5 HA1 GLY 5 -19.300 -11.461 -0.131
32 H THR 6 HN THR 6 -16.384 -10.856 -1.431
33 HA THR 6 HA THR 6 -15.030 -12.328 0.696
34 HB THR 6 HB THR 6 -13.202 -12.973 -0.889
35 HG1 THR 6 HG1 THR 6 -13.288 -12.224 -2.830
36 HG21 THR 6 HG21 THR 6 -15.732 -14.160 -1.932
37 HG22 THR 6 HG22 THR 6 -15.207 -14.474 -0.278
38 HG23 THR 6 HG23 THR 6 -14.172 -14.925 -1.632
39 H ALA 7 HN ALA 7 -12.717 -11.172 -1.406
40 HA ALA 7 HA ALA 7 -12.458 -8.714 0.164
41 HB1 ALA 7 HB1 ALA 7 -10.530 -9.990 0.476
42 HB2 ALA 7 HB2 ALA 7 -10.063 -8.807 -0.746
43 HB3 ALA 7 HB3 ALA 7 -10.455 -10.460 -1.223
44 HA PRO 8 HA PRO 8 -13.646 -6.979 -3.900
45 HB2 PRO 8 HB2 PRO 8 -14.699 -4.693 -2.913
46 HB3 PRO 8 HB1 PRO 8 -15.599 -6.214 -2.947
47 HG2 PRO 8 HG2 PRO 8 -14.128 -4.934 -0.675
48 HG3 PRO 8 HG1 PRO 8 -15.718 -5.719 -0.678
49 HD2 PRO 8 HD2 PRO 8 -13.463 -6.957 0.193
50 HD3 PRO 8 HD1 PRO 8 -14.815 -7.832 -0.555
51 H CYS 9 HN CYS 9 -11.099 -6.966 -3.709
52 HA CYS 9 HA CYS 9 -9.641 -4.802 -2.836
53 HB2 CYS 9 HB2 CYS 9 -9.222 -6.497 -5.303
54 HB3 CYS 9 HB1 CYS 9 -8.026 -5.371 -4.669
55 H SER 10 HN SER 10 -8.418 -3.306 -4.510
56 HA SER 10 HA SER 10 -8.517 -1.448 -5.815
57 HB2 SER 10 HB2 SER 10 -9.552 -3.404 -7.363
58 HB3 SER 10 HB1 SER 10 -10.938 -2.317 -7.290
59 HG SER 10 HG SER 10 -9.356 -0.632 -7.898
60 H ARG 11 HN ARG 11 -10.032 -1.595 -3.333
61 HA ARG 11 HA ARG 11 -11.890 0.608 -3.872
62 HB2 ARG 11 HB2 ARG 11 -12.839 -1.884 -3.348
63 HB3 ARG 11 HB1 ARG 11 -12.718 -1.234 -1.718
64 HG2 ARG 11 HG2 ARG 11 -14.408 0.227 -2.029
65 HG3 ARG 11 HG1 ARG 11 -13.990 0.519 -3.718
66 HD2 ARG 11 HD2 ARG 11 -15.420 -1.038 -4.450
67 HD3 ARG 11 HD1 ARG 11 -14.913 -2.200 -3.225
68 HE ARG 11 HE ARG 11 -17.214 -0.524 -3.144
69 HH11 ARG 11 HH11 ARG 11 -14.794 -2.035 -1.134
70 HH12 ARG 11 HH12 ARG 11 -15.811 -2.087 0.267
71 HH21 ARG 11 HH21 ARG 11 -18.552 -0.590 -1.303
72 HH22 ARG 11 HH22 ARG 11 -17.944 -1.268 0.171
73 H GLY 12 HN GLY 12 -9.143 0.439 -2.807
74 HA2 GLY 12 HA2 GLY 12 -8.618 2.316 -1.201
75 HA3 GLY 12 HA1 GLY 12 -9.632 1.433 -0.069
76 H SER 13 HN SER 13 -8.688 -1.186 -0.828
77 HA SER 13 HA SER 13 -6.180 -1.143 0.653
78 HB2 SER 13 HB2 SER 13 -6.516 -3.653 0.682
79 HB3 SER 13 HB1 SER 13 -7.773 -2.715 1.487
80 HG SER 13 HG SER 13 -7.871 -4.133 -0.926
81 H SER 14 HN SER 14 -4.249 -1.949 -0.094
82 HA SER 14 HA SER 14 -3.881 -1.894 -2.931
83 HB2 SER 14 HB2 SER 14 -1.449 -2.508 -2.142
84 HB3 SER 14 HB1 SER 14 -2.095 -0.894 -1.851
85 HG SER 14 HG SER 14 -2.344 -2.971 0.048
86 H TRP 15 HN TRP 15 -2.074 -3.654 -3.640
87 HA TRP 15 HA TRP 15 -3.209 -6.295 -2.991
88 HB2 TRP 15 HB2 TRP 15 -3.957 -5.917 -5.177
89 HB3 TRP 15 HB1 TRP 15 -2.484 -5.075 -5.641
90 HD1 TRP 15 HD1 TRP 15 -0.736 -6.452 -6.931
91 HE1 TRP 15 HE1 TRP 15 -0.439 -8.939 -7.518
92 HE3 TRP 15 HE3 TRP 15 -4.499 -8.419 -4.080
93 HZ2 TRP 15 HZ2 TRP 15 -1.639 -11.404 -6.860
94 HZ3 TRP 15 HZ3 TRP 15 -4.859 -10.851 -4.119
95 HH2 TRP 15 HH2 TRP 15 -3.457 -12.312 -5.482
96 H SER 16 HN SER 16 -1.697 -8.112 -3.340
97 HA SER 16 HA SER 16 1.110 -7.357 -3.191
98 HB2 SER 16 HB2 SER 16 0.087 -9.501 -1.367
99 HB3 SER 16 HB1 SER 16 1.536 -8.508 -1.214
100 HG SER 16 HG SER 16 -0.647 -8.100 0.036
101 H ALA 17 HN ALA 17 2.120 -8.368 -4.784
102 HA ALA 17 HA ALA 17 1.036 -10.818 -5.896
103 HB1 ALA 17 HB1 ALA 17 3.253 -10.414 -7.348
104 HB2 ALA 17 HB2 ALA 17 2.989 -8.774 -6.757
105 HB3 ALA 17 HB3 ALA 17 1.724 -9.596 -7.671
106 H ASP 18 HN ASP 18 3.555 -9.840 -3.744
107 HA ASP 18 HA ASP 18 5.408 -11.888 -4.036
108 HB2 ASP 18 HB2 ASP 18 4.595 -10.100 -1.795
109 HB3 ASP 18 HB1 ASP 18 5.606 -11.488 -1.408
110 H LEU 19 HN LEU 19 2.263 -11.900 -2.520
111 HA LEU 19 HA LEU 19 2.430 -14.794 -2.261
112 HB2 LEU 19 HB2 LEU 19 1.258 -14.480 0.053
113 HB3 LEU 19 HB1 LEU 19 3.006 -14.434 -0.071
114 HG LEU 19 HG LEU 19 2.746 -11.881 -0.231
115 HD11 LEU 19 HD11 LEU 19 -0.021 -12.744 0.384
116 HD12 LEU 19 HD12 LEU 19 0.559 -11.354 -0.534
117 HD13 LEU 19 HD13 LEU 19 0.597 -11.324 1.229
118 HD21 LEU 19 HD21 LEU 19 2.482 -13.639 2.136
119 HD22 LEU 19 HD22 LEU 19 2.182 -11.918 2.378
120 HD23 LEU 19 HD23 LEU 19 3.729 -12.460 1.728
121 H ASP 20 HN ASP 20 0.949 -12.645 -3.809
122 HA ASP 20 HA ASP 20 -1.166 -12.148 -4.525
123 HB2 ASP 20 HB2 ASP 20 -1.491 -15.105 -3.982
124 HB3 ASP 20 HB1 ASP 20 -2.524 -14.136 -5.028
125 H LYS 21 HN LYS 21 -1.713 -10.811 -2.716
126 HA LYS 21 HA LYS 21 -4.159 -11.528 -1.508
127 HB2 LYS 21 HB2 LYS 21 -1.936 -12.483 -0.115
128 HB3 LYS 21 HB1 LYS 21 -2.421 -11.038 0.761
129 HG2 LYS 21 HG2 LYS 21 -4.400 -11.936 1.431
130 HG3 LYS 21 HG1 LYS 21 -4.543 -12.964 0.005
131 HD2 LYS 21 HD2 LYS 21 -3.846 -14.664 1.265
132 HD3 LYS 21 HD1 LYS 21 -2.266 -13.883 1.331
133 HE2 LYS 21 HE2 LYS 21 -4.521 -13.335 3.256
134 HE3 LYS 21 HE1 LYS 21 -3.208 -14.472 3.562
135 HZ1 LYS 21 HZ1 LYS 21 -2.809 -11.585 2.996
136 HZ2 LYS 21 HZ2 LYS 21 -1.632 -12.697 3.482
137 HZ3 LYS 21 HZ3 LYS 21 -2.863 -12.247 4.551
138 H CYS 22 HN CYS 22 -5.259 -9.740 -0.922
139 HA CYS 22 HA CYS 22 -4.058 -7.186 -1.440
140 HB2 CYS 22 HB2 CYS 22 -6.762 -8.244 -1.021
141 HB3 CYS 22 HB1 CYS 22 -6.520 -6.636 -0.343
142 H MET 23 HN MET 23 -4.294 -5.353 0.102
143 HA MET 23 HA MET 23 -4.514 -5.893 2.888
144 HB2 MET 23 HB2 MET 23 -2.032 -6.464 1.830
145 HB3 MET 23 HB1 MET 23 -1.829 -4.826 2.435
146 HG2 MET 23 HG2 MET 23 -1.974 -5.456 4.589
147 HG3 MET 23 HG1 MET 23 -3.172 -6.704 4.257
148 HE1 MET 23 HE1 MET 23 -1.261 -7.237 6.379
149 HE2 MET 23 HE2 MET 23 0.190 -6.417 5.803
150 HE3 MET 23 HE3 MET 23 0.195 -8.167 6.025
151 H ASP 24 HN ASP 24 -5.197 -4.106 3.876
152 HA ASP 24 HA ASP 24 -5.670 -1.721 2.490
153 HB2 ASP 24 HB2 ASP 24 -5.854 -2.601 5.324
154 HB3 ASP 24 HB1 ASP 24 -5.833 -0.865 5.026
155 H CYS 25 HN CYS 25 -4.822 0.423 2.947
156 HA CYS 25 HA CYS 25 -2.062 0.602 2.638
157 HB2 CYS 25 HB2 CYS 25 -4.261 2.396 2.723
158 HB3 CYS 25 HB1 CYS 25 -3.031 3.029 3.810
159 H ALA 26 HN ALA 26 -3.973 0.368 5.517
160 HA ALA 26 HA ALA 26 -1.832 1.271 7.252
161 HB1 ALA 26 HB1 ALA 26 -3.429 0.681 9.075
162 HB2 ALA 26 HB2 ALA 26 -4.580 0.183 7.834
163 HB3 ALA 26 HB3 ALA 26 -4.048 1.862 7.921
164 H SER 27 HN SER 27 -0.156 -0.125 7.231
165 HA SER 27 HA SER 27 -0.330 -2.523 8.694
166 HB2 SER 27 HB2 SER 27 -1.234 -2.971 6.183
167 HB3 SER 27 HB1 SER 27 0.490 -3.253 5.943
168 HG SER 27 HG SER 27 -1.051 -5.037 6.736
169 H CYS 28 HN CYS 28 1.485 -0.955 6.075
170 HA CYS 28 HA CYS 28 3.994 -1.781 7.249
171 HB2 CYS 28 HB2 CYS 28 5.026 -0.785 5.269
172 HB3 CYS 28 HB1 CYS 28 3.727 -1.879 4.809
173 H ARG 29 HN ARG 29 2.885 -0.292 9.100
174 HA ARG 29 HA ARG 29 3.665 2.492 8.780
175 HB2 ARG 29 HB2 ARG 29 1.943 0.964 10.612
176 HB3 ARG 29 HB1 ARG 29 2.853 2.259 11.379
177 HG2 ARG 29 HG2 ARG 29 1.911 3.560 9.219
178 HG3 ARG 29 HG1 ARG 29 0.619 2.385 9.472
179 HD2 ARG 29 HD2 ARG 29 0.773 3.137 11.951
180 HD3 ARG 29 HD1 ARG 29 1.595 4.551 11.292
181 HE ARG 29 HE ARG 29 -0.899 3.971 9.992
182 HH11 ARG 29 HH11 ARG 29 0.596 5.572 12.709
183 HH12 ARG 29 HH12 ARG 29 -0.700 6.701 12.918
184 HH21 ARG 29 HH21 ARG 29 -2.606 5.456 10.266
185 HH22 ARG 29 HH22 ARG 29 -2.518 6.635 11.531
186 H ALA 30 HN ALA 30 4.787 -0.419 10.323
187 HA ALA 30 HA ALA 30 7.018 1.108 11.502
188 HB1 ALA 30 HB1 ALA 30 7.171 -1.011 13.011
189 HB2 ALA 30 HB2 ALA 30 5.490 -1.242 12.531
190 HB3 ALA 30 HB3 ALA 30 5.974 0.236 13.363
191 H ARG 31 HN ARG 31 6.089 -1.927 9.924
192 HA ARG 31 HA ARG 31 8.922 -2.394 9.283
193 HB2 ARG 31 HB2 ARG 31 6.607 -4.191 9.773
194 HB3 ARG 31 HB1 ARG 31 7.788 -4.714 8.580
195 HG2 ARG 31 HG2 ARG 31 8.628 -5.671 10.478
196 HG3 ARG 31 HG1 ARG 31 9.508 -4.142 10.460
197 HD2 ARG 31 HD2 ARG 31 8.778 -4.263 12.652
198 HD3 ARG 31 HD1 ARG 31 7.531 -3.275 11.893
199 HE ARG 31 HE ARG 31 6.932 -6.086 11.906
200 HH11 ARG 31 HH11 ARG 31 6.733 -3.109 13.716
201 HH12 ARG 31 HH12 ARG 31 5.392 -3.638 14.677
202 HH21 ARG 31 HH21 ARG 31 5.169 -6.782 13.167
203 HH22 ARG 31 HH22 ARG 31 4.505 -5.723 14.366
204 HA PRO 32 HA PRO 32 7.168 -1.097 5.237
205 HB2 PRO 32 HB2 PRO 32 9.359 0.218 4.382
206 HB3 PRO 32 HB1 PRO 32 8.193 0.957 5.487
207 HG2 PRO 32 HG2 PRO 32 10.838 -0.308 6.093
208 HG3 PRO 32 HG1 PRO 32 10.142 1.192 6.735
209 HD2 PRO 32 HD2 PRO 32 10.108 -1.173 8.091
210 HD3 PRO 32 HD1 PRO 32 8.869 0.081 8.291
211 H HIS 33 HN HIS 33 7.217 -3.361 4.676
212 HA HIS 33 HA HIS 33 9.224 -3.950 2.713
213 HB2 HIS 33 HB2 HIS 33 10.055 -4.689 5.120
214 HB3 HIS 33 HB1 HIS 33 9.010 -6.071 4.803
215 HD1 HIS 33 HD1 HIS 33 12.003 -4.295 3.306
216 HD2 HIS 33 HD2 HIS 33 10.113 -7.995 3.211
217 HE1 HIS 33 HE1 HIS 33 13.528 -5.796 1.985
218 HE2 HIS 33 HE2 HIS 33 12.322 -8.004 1.865
219 H SER 34 HN SER 34 6.864 -3.647 1.904
220 HA SER 34 HA SER 34 5.865 -6.290 1.330
221 HB2 SER 34 HB2 SER 34 3.490 -4.915 1.769
222 HB3 SER 34 HB1 SER 34 4.175 -6.167 2.806
223 HG SER 34 HG SER 34 3.959 -4.482 4.146
224 H ASP 35 HN ASP 35 5.109 -6.466 -0.700
225 HA ASP 35 HA ASP 35 5.613 -4.494 -2.596
226 HB2 ASP 35 HB2 ASP 35 5.386 -6.911 -3.100
227 HB3 ASP 35 HB1 ASP 35 3.650 -6.784 -2.833
228 H PHE 36 HN PHE 36 2.611 -5.315 -0.917
229 HA PHE 36 HA PHE 36 0.899 -3.644 -2.387
230 HB2 PHE 36 HB2 PHE 36 -0.653 -3.861 -0.525
231 HB3 PHE 36 HB1 PHE 36 0.103 -5.414 -0.861
232 HD1 PHE 36 HD2 PHE 36 0.426 -2.438 1.352
233 HD2 PHE 36 HD1 PHE 36 1.056 -6.619 0.865
234 HE1 PHE 36 HE2 PHE 36 1.107 -2.607 3.711
235 HE2 PHE 36 HE1 PHE 36 1.736 -6.795 3.223
236 HZ PHE 36 HZ PHE 36 1.763 -4.787 4.648
237 H CYS 37 HN CYS 37 3.096 -2.993 0.248
238 HA CYS 37 HA CYS 37 2.061 -0.415 0.890
239 HB2 CYS 37 HB2 CYS 37 3.434 -1.753 2.462
240 HB3 CYS 37 HB1 CYS 37 4.823 -1.542 1.402
241 H LEU 38 HN LEU 38 4.364 -1.639 -1.424
242 HA LEU 38 HA LEU 38 5.609 0.829 -2.054
243 HB2 LEU 38 HB2 LEU 38 5.452 -1.868 -3.302
244 HB3 LEU 38 HB1 LEU 38 5.973 -0.534 -4.313
245 HG LEU 38 HG LEU 38 7.852 -1.791 -3.309
246 HD11 LEU 38 HD11 LEU 38 8.788 0.393 -2.090
247 HD12 LEU 38 HD12 LEU 38 7.400 1.103 -2.914
248 HD13 LEU 38 HD13 LEU 38 8.640 0.261 -3.843
249 HD21 LEU 38 HD21 LEU 38 7.042 -2.499 -1.222
250 HD22 LEU 38 HD22 LEU 38 6.567 -0.865 -0.757
251 HD23 LEU 38 HD23 LEU 38 8.274 -1.295 -0.847
252 H GLY 39 HN GLY 39 2.656 -0.718 -3.079
253 HA2 GLY 39 HA2 GLY 39 2.272 1.206 -5.244
254 HA3 GLY 39 HA1 GLY 39 1.240 -0.169 -4.880
255 H CYS 40 HN CYS 40 1.111 0.541 -2.017
256 HA CYS 40 HA CYS 40 -1.150 2.294 -2.190
257 HB2 CYS 40 HB2 CYS 40 -0.486 0.288 -0.497
258 HB3 CYS 40 HB1 CYS 40 -0.022 1.680 0.476
259 H ALA 41 HN ALA 41 2.203 2.608 -1.287
260 HA ALA 41 HA ALA 41 2.111 4.978 0.184
261 HB1 ALA 41 HB1 ALA 41 4.411 5.088 -0.069
262 HB2 ALA 41 HB2 ALA 41 4.368 4.398 -1.691
263 HB3 ALA 41 HB3 ALA 41 4.083 3.369 -0.289
264 H ALA 42 HN ALA 42 2.218 4.440 -3.303
265 HA ALA 42 HA ALA 42 1.863 5.816 -5.080
266 HB1 ALA 42 HB1 ALA 42 0.590 7.945 -3.486
267 HB2 ALA 42 HB2 ALA 42 -0.134 6.342 -3.357
268 HB3 ALA 42 HB3 ALA 42 0.023 7.114 -4.935
269 H ALA 43 HN ALA 43 3.780 6.569 -5.773
270 HA ALA 43 HA ALA 43 4.624 9.194 -4.795
271 HB1 ALA 43 HB1 ALA 43 5.902 7.131 -3.764
272 HB2 ALA 43 HB2 ALA 43 6.757 8.603 -4.224
273 HB3 ALA 43 HB3 ALA 43 6.776 7.202 -5.294
274 HA PRO 44 HA PRO 44 5.081 9.905 -9.140
275 HB2 PRO 44 HB2 PRO 44 6.566 12.155 -9.095
276 HB3 PRO 44 HB1 PRO 44 4.868 12.135 -8.603
277 HG2 PRO 44 HG2 PRO 44 7.333 12.078 -6.904
278 HG3 PRO 44 HG1 PRO 44 5.844 13.014 -6.682
279 HD2 PRO 44 HD2 PRO 44 6.362 10.709 -5.333
280 HD3 PRO 44 HD1 PRO 44 4.720 11.240 -5.746
281 HA PRO 45 HA PRO 45 8.930 7.746 -10.005
282 HB2 PRO 45 HB2 PRO 45 8.269 8.515 -12.792
283 HB3 PRO 45 HB1 PRO 45 8.599 6.918 -12.112
284 HG2 PRO 45 HG2 PRO 45 6.120 7.634 -12.785
285 HG3 PRO 45 HG1 PRO 45 6.431 6.649 -11.344
286 HD2 PRO 45 HD2 PRO 45 5.809 9.568 -11.548
287 HD3 PRO 45 HD1 PRO 45 5.255 8.377 -10.353
288 H ALA 46 HN ALA 46 8.122 11.002 -10.827
289 HA ALA 46 HA ALA 46 9.441 12.869 -10.900
290 HB1 ALA 46 HB1 ALA 46 11.551 12.844 -10.075
291 HB2 ALA 46 HB2 ALA 46 12.014 11.410 -10.992
292 HB3 ALA 46 HB3 ALA 46 11.051 11.246 -9.523
293 HA PRO 47 HA PRO 47 9.568 12.516 -15.416
294 HB2 PRO 47 HB2 PRO 47 9.880 15.454 -15.101
295 HB3 PRO 47 HB1 PRO 47 8.742 14.543 -16.100
296 HG2 PRO 47 HG2 PRO 47 7.928 15.751 -13.872
297 HG3 PRO 47 HG1 PRO 47 7.292 14.159 -14.330
298 HD2 PRO 47 HD2 PRO 47 9.342 14.861 -12.269
299 HD3 PRO 47 HD1 PRO 47 8.054 13.641 -12.209
300 H PHE 48 HN PHE 48 10.997 14.473 -16.829
301 HA PHE 48 HA PHE 48 13.079 15.074 -17.529
302 HB2 PHE 48 HB2 PHE 48 13.330 15.032 -14.667
303 HB3 PHE 48 HB1 PHE 48 14.808 14.405 -15.388
304 HD1 PHE 48 HD2 PHE 48 15.287 15.912 -17.721
305 HD2 PHE 48 HD1 PHE 48 13.575 17.220 -14.051
306 HE1 PHE 48 HE2 PHE 48 16.028 18.209 -18.199
307 HE2 PHE 48 HE1 PHE 48 14.311 19.520 -14.522
308 HZ PHE 48 HZ PHE 48 15.539 20.017 -16.598
309 H ARG 49 HN ARG 49 15.544 13.989 -17.273
310 HA ARG 49 HA ARG 49 15.414 11.680 -18.821
311 HB2 ARG 49 HB2 ARG 49 17.822 11.442 -18.374
312 HB3 ARG 49 HB1 ARG 49 17.389 13.099 -18.772
313 HG2 ARG 49 HG2 ARG 49 17.295 12.600 -15.917
314 HG3 ARG 49 HG1 ARG 49 18.884 12.265 -16.610
315 HD2 ARG 49 HD2 ARG 49 18.910 14.491 -17.624
316 HD3 ARG 49 HD1 ARG 49 17.320 14.824 -16.940
317 HE ARG 49 HE ARG 49 18.335 15.318 -14.961
318 HH11 ARG 49 HH11 ARG 49 20.529 13.386 -16.867
319 HH12 ARG 49 HH12 ARG 49 21.838 13.539 -15.743
320 HH21 ARG 49 HH21 ARG 49 20.055 15.521 -13.482
321 HH22 ARG 49 HH22 ARG 49 21.570 14.751 -13.822
322 H LEU 50 HN LEU 50 16.399 9.541 -18.250
323 HA LEU 50 HA LEU 50 16.436 8.629 -15.570
324 HB2 LEU 50 HB2 LEU 50 14.027 8.895 -15.724
325 HB3 LEU 50 HB1 LEU 50 13.989 7.950 -17.200
326 HG LEU 50 HG LEU 50 15.127 6.156 -15.528
327 HD11 LEU 50 HD11 LEU 50 13.432 6.410 -13.496
328 HD12 LEU 50 HD12 LEU 50 13.667 8.120 -13.859
329 HD13 LEU 50 HD13 LEU 50 15.054 7.103 -13.468
330 HD21 LEU 50 HD21 LEU 50 12.928 5.122 -15.382
331 HD22 LEU 50 HD22 LEU 50 13.195 5.793 -16.991
332 HD23 LEU 50 HD23 LEU 50 12.167 6.645 -15.839
333 H LEU 51 HN LEU 51 17.942 7.108 -15.654
334 HA LEU 51 HA LEU 51 17.963 5.275 -17.961
335 HB2 LEU 51 HB2 LEU 51 20.414 6.121 -16.430
336 HB3 LEU 51 HB1 LEU 51 20.344 5.242 -17.946
337 HG LEU 51 HG LEU 51 19.234 8.016 -17.809
338 HD11 LEU 51 HD11 LEU 51 21.312 8.513 -16.913
339 HD12 LEU 51 HD12 LEU 51 21.586 8.687 -18.646
340 HD13 LEU 51 HD13 LEU 51 22.120 7.227 -17.811
341 HD21 LEU 51 HD21 LEU 51 20.154 7.971 -20.172
342 HD22 LEU 51 HD22 LEU 51 18.786 6.908 -19.837
343 HD23 LEU 51 HD23 LEU 51 20.417 6.244 -19.928
344 H TRP 52 HN TRP 52 18.509 3.118 -17.567
345 HA TRP 52 HA TRP 52 18.763 2.316 -14.754
346 HB2 TRP 52 HB2 TRP 52 16.668 1.455 -16.717
347 HB3 TRP 52 HB1 TRP 52 17.211 0.330 -15.476
348 HD1 TRP 52 HD1 TRP 52 14.484 2.550 -15.992
349 HE1 TRP 52 HE1 TRP 52 13.505 3.453 -13.790
350 HE3 TRP 52 HE3 TRP 52 18.343 1.381 -12.848
351 HZ2 TRP 52 HZ2 TRP 52 14.267 3.644 -11.078
352 HZ3 TRP 52 HZ3 TRP 52 18.138 1.958 -10.464
353 HH2 TRP 52 HH2 TRP 52 16.142 3.067 -9.600
354 HA PRO 53 HA PRO 53 21.825 0.172 -17.543
355 HB2 PRO 53 HB2 PRO 53 23.991 0.639 -15.979
356 HB3 PRO 53 HB1 PRO 53 23.425 1.787 -17.198
357 HG2 PRO 53 HG2 PRO 53 22.968 1.787 -14.239
358 HG3 PRO 53 HG1 PRO 53 23.378 3.142 -15.308
359 HD2 PRO 53 HD2 PRO 53 20.853 2.675 -14.445
360 HD3 PRO 53 HD1 PRO 53 21.204 3.392 -16.032
Start of MODEL 7
1 H1 GLU 1 HT1 GLU 1 -14.336 -11.396 0.144
2 H2 GLU 1 HT2 GLU 1 -14.911 -13.009 0.032
3 H3 GLU 1 HT3 GLU 1 -14.090 -12.483 1.445
4 HA GLU 1 HA GLU 1 -16.517 -12.663 1.648
5 HB2 GLU 1 HB2 GLU 1 -14.682 -10.872 2.662
6 HB3 GLU 1 HB1 GLU 1 -15.971 -9.817 2.098
7 HG2 GLU 1 HG2 GLU 1 -17.564 -10.863 3.501
8 HG3 GLU 1 HG1 GLU 1 -16.459 -12.183 3.883
9 H GLN 2 HN GLN 2 -15.476 -9.799 -0.214
10 HA GLN 2 HA GLN 2 -18.155 -9.729 -1.434
11 HB2 GLN 2 HB2 GLN 2 -17.027 -7.729 -0.065
12 HB3 GLN 2 HB1 GLN 2 -16.331 -7.389 -1.643
13 HG2 GLN 2 HG2 GLN 2 -18.540 -7.231 -2.618
14 HG3 GLN 2 HG1 GLN 2 -19.273 -7.662 -1.074
15 HE21 GLN 2 HE21 GLN 2 -18.699 -6.195 0.763
16 HE22 GLN 2 HE22 GLN 2 -18.629 -4.501 0.429
17 H ALA 3 HN ALA 3 -17.393 -11.404 -2.918
18 HA ALA 3 HA ALA 3 -16.667 -12.106 -4.957
19 HB1 ALA 3 HB1 ALA 3 -16.970 -9.166 -5.342
20 HB2 ALA 3 HB2 ALA 3 -17.856 -10.498 -6.083
21 HB3 ALA 3 HB3 ALA 3 -16.217 -10.124 -6.618
22 HA PRO 4 HA PRO 4 -12.267 -11.292 -3.427
23 HB2 PRO 4 HB2 PRO 4 -12.290 -14.231 -3.908
24 HB3 PRO 4 HB1 PRO 4 -11.570 -13.313 -2.580
25 HG2 PRO 4 HG2 PRO 4 -13.821 -14.686 -2.215
26 HG3 PRO 4 HG1 PRO 4 -13.589 -13.098 -1.458
27 HD2 PRO 4 HD2 PRO 4 -15.233 -13.843 -3.838
28 HD3 PRO 4 HD1 PRO 4 -15.560 -12.646 -2.568
29 H GLY 5 HN GLY 5 -10.867 -10.647 -4.931
30 HA2 GLY 5 HA2 GLY 5 -9.386 -11.335 -6.754
31 HA3 GLY 5 HA1 GLY 5 -10.771 -12.134 -7.481
32 H THR 6 HN THR 6 -11.135 -9.001 -6.023
33 HA THR 6 HA THR 6 -11.390 -7.832 -8.718
34 HB THR 6 HB THR 6 -12.742 -6.562 -6.390
35 HG1 THR 6 HG1 THR 6 -14.426 -8.003 -6.460
36 HG21 THR 6 HG21 THR 6 -14.374 -5.919 -7.928
37 HG22 THR 6 HG22 THR 6 -13.872 -7.132 -9.105
38 HG23 THR 6 HG23 THR 6 -12.846 -5.732 -8.788
39 H ALA 7 HN ALA 7 -10.755 -5.629 -8.991
40 HA ALA 7 HA ALA 7 -8.297 -4.983 -7.822
41 HB1 ALA 7 HB1 ALA 7 -10.095 -3.794 -9.759
42 HB2 ALA 7 HB2 ALA 7 -8.332 -3.760 -9.680
43 HB3 ALA 7 HB3 ALA 7 -9.279 -2.580 -8.773
44 HA PRO 8 HA PRO 8 -10.660 -1.754 -5.121
45 HB2 PRO 8 HB2 PRO 8 -13.476 -2.528 -5.182
46 HB3 PRO 8 HB1 PRO 8 -12.742 -0.966 -5.549
47 HG2 PRO 8 HG2 PRO 8 -13.867 -2.533 -7.448
48 HG3 PRO 8 HG1 PRO 8 -12.499 -1.455 -7.781
49 HD2 PRO 8 HD2 PRO 8 -12.509 -4.415 -7.303
50 HD3 PRO 8 HD1 PRO 8 -11.596 -3.470 -8.499
51 H CYS 9 HN CYS 9 -9.605 -4.175 -4.373
52 HA CYS 9 HA CYS 9 -11.298 -5.699 -2.695
53 HB2 CYS 9 HB2 CYS 9 -9.179 -6.562 -3.639
54 HB3 CYS 9 HB1 CYS 9 -8.287 -5.449 -2.608
55 H SER 10 HN SER 10 -12.263 -4.901 -0.949
56 HA SER 10 HA SER 10 -12.623 -3.832 1.026
57 HB2 SER 10 HB2 SER 10 -9.661 -4.329 1.134
58 HB3 SER 10 HB1 SER 10 -10.461 -3.423 2.418
59 HG SER 10 HG SER 10 -11.372 -5.958 1.555
60 H ARG 11 HN ARG 11 -11.647 -1.819 2.390
61 HA ARG 11 HA ARG 11 -11.498 0.359 0.429
62 HB2 ARG 11 HB2 ARG 11 -12.263 0.425 3.354
63 HB3 ARG 11 HB1 ARG 11 -12.260 1.811 2.273
64 HG2 ARG 11 HG2 ARG 11 -14.462 1.267 2.181
65 HG3 ARG 11 HG1 ARG 11 -13.865 0.265 0.857
66 HD2 ARG 11 HD2 ARG 11 -13.513 -1.400 2.968
67 HD3 ARG 11 HD1 ARG 11 -14.942 -0.505 3.483
68 HE ARG 11 HE ARG 11 -15.443 -1.252 0.889
69 HH11 ARG 11 HH11 ARG 11 -14.697 -2.907 3.870
70 HH12 ARG 11 HH12 ARG 11 -15.581 -4.334 3.444
71 HH21 ARG 11 HH21 ARG 11 -16.606 -3.127 0.327
72 HH22 ARG 11 HH22 ARG 11 -16.664 -4.460 1.432
73 H GLY 12 HN GLY 12 -9.728 1.588 0.249
74 HA2 GLY 12 HA2 GLY 12 -7.632 2.437 0.638
75 HA3 GLY 12 HA1 GLY 12 -7.992 2.275 2.349
76 H SER 13 HN SER 13 -7.367 0.048 -0.369
77 HA SER 13 HA SER 13 -5.219 -1.162 1.222
78 HB2 SER 13 HB2 SER 13 -7.199 -2.821 -0.342
79 HB3 SER 13 HB1 SER 13 -5.972 -3.386 0.791
80 HG SER 13 HG SER 13 -8.415 -2.091 1.310
81 H SER 14 HN SER 14 -4.358 -3.093 -0.449
82 HA SER 14 HA SER 14 -4.174 -2.199 -3.154
83 HB2 SER 14 HB2 SER 14 -2.080 -1.463 -1.205
84 HB3 SER 14 HB1 SER 14 -1.494 -2.154 -2.718
85 HG SER 14 HG SER 14 -2.024 0.279 -2.438
86 H TRP 15 HN TRP 15 -3.529 -3.797 -4.511
87 HA TRP 15 HA TRP 15 -3.574 -6.448 -3.670
88 HB2 TRP 15 HB2 TRP 15 -4.070 -6.088 -5.932
89 HB3 TRP 15 HB1 TRP 15 -2.640 -5.095 -6.186
90 HD1 TRP 15 HD1 TRP 15 -0.628 -6.261 -7.274
91 HE1 TRP 15 HE1 TRP 15 0.001 -8.695 -7.821
92 HE3 TRP 15 HE3 TRP 15 -4.462 -8.657 -4.886
93 HZ2 TRP 15 HZ2 TRP 15 -0.993 -11.282 -7.307
94 HZ3 TRP 15 HZ3 TRP 15 -4.551 -11.113 -4.964
95 HH2 TRP 15 HH2 TRP 15 -2.850 -12.398 -6.152
96 H SER 16 HN SER 16 -1.843 -8.075 -3.804
97 HA SER 16 HA SER 16 0.830 -7.033 -3.338
98 HB2 SER 16 HB2 SER 16 0.090 -9.274 -1.573
99 HB3 SER 16 HB1 SER 16 1.051 -7.836 -1.228
100 HG SER 16 HG SER 16 -0.919 -7.809 -0.089
101 H ALA 17 HN ALA 17 2.356 -8.142 -4.382
102 HA ALA 17 HA ALA 17 1.573 -10.601 -5.750
103 HB1 ALA 17 HB1 ALA 17 2.651 -8.634 -6.939
104 HB2 ALA 17 HB2 ALA 17 3.357 -10.222 -7.238
105 HB3 ALA 17 HB3 ALA 17 4.148 -9.100 -6.131
106 H ASP 18 HN ASP 18 3.527 -9.525 -3.120
107 HA ASP 18 HA ASP 18 5.525 -11.427 -2.984
108 HB2 ASP 18 HB2 ASP 18 4.062 -9.785 -0.988
109 HB3 ASP 18 HB1 ASP 18 4.989 -11.147 -0.368
110 H LEU 19 HN LEU 19 2.122 -11.744 -2.262
111 HA LEU 19 HA LEU 19 2.445 -14.628 -2.103
112 HB2 LEU 19 HB2 LEU 19 0.824 -14.583 -0.082
113 HB3 LEU 19 HB1 LEU 19 2.537 -14.326 0.182
114 HG LEU 19 HG LEU 19 1.872 -11.784 -0.026
115 HD11 LEU 19 HD11 LEU 19 -0.371 -11.440 1.042
116 HD12 LEU 19 HD12 LEU 19 -0.713 -13.139 0.710
117 HD13 LEU 19 HD13 LEU 19 -0.415 -12.022 -0.623
118 HD21 LEU 19 HD21 LEU 19 1.782 -13.677 2.249
119 HD22 LEU 19 HD22 LEU 19 1.148 -12.055 2.526
120 HD23 LEU 19 HD23 LEU 19 2.812 -12.271 1.981
121 H ASP 20 HN ASP 20 1.198 -12.513 -3.854
122 HA ASP 20 HA ASP 20 -0.754 -12.060 -4.963
123 HB2 ASP 20 HB2 ASP 20 -1.841 -14.112 -5.850
124 HB3 ASP 20 HB1 ASP 20 -0.088 -14.135 -6.011
125 H LYS 21 HN LYS 21 -1.745 -10.932 -3.186
126 HA LYS 21 HA LYS 21 -4.370 -11.754 -2.675
127 HB2 LYS 21 HB2 LYS 21 -2.360 -12.635 -0.711
128 HB3 LYS 21 HB1 LYS 21 -3.748 -11.809 -0.017
129 HG2 LYS 21 HG2 LYS 21 -4.846 -13.587 -1.843
130 HG3 LYS 21 HG1 LYS 21 -3.530 -14.484 -1.083
131 HD2 LYS 21 HD2 LYS 21 -4.428 -13.986 1.118
132 HD3 LYS 21 HD1 LYS 21 -5.705 -13.004 0.396
133 HE2 LYS 21 HE2 LYS 21 -6.932 -14.874 0.475
134 HE3 LYS 21 HE1 LYS 21 -5.989 -15.379 -0.927
135 HZ1 LYS 21 HZ1 LYS 21 -4.846 -15.910 1.705
136 HZ2 LYS 21 HZ2 LYS 21 -4.786 -16.839 0.292
137 HZ3 LYS 21 HZ3 LYS 21 -6.180 -16.845 1.249
138 H CYS 22 HN CYS 22 -5.449 -9.913 -2.457
139 HA CYS 22 HA CYS 22 -4.154 -7.434 -2.061
140 HB2 CYS 22 HB2 CYS 22 -6.508 -6.536 -1.892
141 HB3 CYS 22 HB1 CYS 22 -6.160 -7.454 -3.352
142 H MET 23 HN MET 23 -3.871 -6.190 -0.291
143 HA MET 23 HA MET 23 -5.208 -6.841 2.185
144 HB2 MET 23 HB2 MET 23 -2.872 -8.078 1.825
145 HB3 MET 23 HB1 MET 23 -2.258 -6.536 2.404
146 HG2 MET 23 HG2 MET 23 -2.988 -6.876 4.504
147 HG3 MET 23 HG1 MET 23 -4.446 -7.715 3.978
148 HE1 MET 23 HE1 MET 23 -2.346 -8.758 6.562
149 HE2 MET 23 HE2 MET 23 -1.244 -7.795 5.578
150 HE3 MET 23 HE3 MET 23 -0.903 -9.500 5.872
151 H ASP 24 HN ASP 24 -5.278 -5.144 3.661
152 HA ASP 24 HA ASP 24 -5.232 -2.557 2.597
153 HB2 ASP 24 HB2 ASP 24 -5.451 -1.830 5.009
154 HB3 ASP 24 HB1 ASP 24 -6.651 -2.999 4.464
155 H CYS 25 HN CYS 25 -3.986 -0.704 3.594
156 HA CYS 25 HA CYS 25 -1.142 -1.423 3.634
157 HB2 CYS 25 HB2 CYS 25 -2.519 1.203 3.054
158 HB3 CYS 25 HB1 CYS 25 -0.773 0.994 3.116
159 H ALA 26 HN ALA 26 -3.509 -0.852 5.820
160 HA ALA 26 HA ALA 26 -2.565 1.071 7.572
161 HB1 ALA 26 HB1 ALA 26 -3.652 -0.549 9.337
162 HB2 ALA 26 HB2 ALA 26 -4.224 -1.380 7.891
163 HB3 ALA 26 HB3 ALA 26 -4.644 0.312 8.159
164 H SER 27 HN SER 27 -1.516 -2.248 7.121
165 HA SER 27 HA SER 27 0.026 -2.525 9.449
166 HB2 SER 27 HB2 SER 27 -0.660 -4.251 7.560
167 HB3 SER 27 HB1 SER 27 0.922 -3.820 6.909
168 HG SER 27 HG SER 27 1.128 -5.572 8.306
169 H CYS 28 HN CYS 28 0.860 -1.310 6.231
170 HA CYS 28 HA CYS 28 3.565 -0.728 7.043
171 HB2 CYS 28 HB2 CYS 28 2.059 -0.758 4.497
172 HB3 CYS 28 HB1 CYS 28 3.368 0.414 4.603
173 H ARG 29 HN ARG 29 2.095 0.650 8.734
174 HA ARG 29 HA ARG 29 1.342 3.248 7.835
175 HB2 ARG 29 HB2 ARG 29 1.034 3.775 10.178
176 HB3 ARG 29 HB1 ARG 29 0.379 2.178 9.847
177 HG2 ARG 29 HG2 ARG 29 1.498 1.640 11.719
178 HG3 ARG 29 HG1 ARG 29 2.862 1.500 10.609
179 HD2 ARG 29 HD2 ARG 29 3.250 3.992 11.096
180 HD3 ARG 29 HD1 ARG 29 2.173 3.750 12.469
181 HE ARG 29 HE ARG 29 4.296 1.832 12.367
182 HH11 ARG 29 HH11 ARG 29 3.444 5.061 13.379
183 HH12 ARG 29 HH12 ARG 29 4.663 5.132 14.607
184 HH21 ARG 29 HH21 ARG 29 5.899 1.924 13.983
185 HH22 ARG 29 HH22 ARG 29 6.057 3.352 14.949
186 H ALA 30 HN ALA 30 4.341 1.835 8.339
187 HA ALA 30 HA ALA 30 5.788 4.171 7.793
188 HB1 ALA 30 HB1 ALA 30 6.906 4.573 9.917
189 HB2 ALA 30 HB2 ALA 30 5.924 3.325 10.685
190 HB3 ALA 30 HB3 ALA 30 5.163 4.796 10.079
191 H ARG 31 HN ARG 31 5.721 0.928 9.117
192 HA ARG 31 HA ARG 31 8.524 0.513 8.396
193 HB2 ARG 31 HB2 ARG 31 8.290 -1.639 9.573
194 HB3 ARG 31 HB1 ARG 31 7.856 -0.275 10.594
195 HG2 ARG 31 HG2 ARG 31 5.525 -1.235 9.239
196 HG3 ARG 31 HG1 ARG 31 6.344 -2.575 10.043
197 HD2 ARG 31 HD2 ARG 31 6.460 -0.691 11.976
198 HD3 ARG 31 HD1 ARG 31 4.956 -0.238 11.175
199 HE ARG 31 HE ARG 31 5.382 -3.010 12.048
200 HH11 ARG 31 HH11 ARG 31 3.587 -0.015 12.273
201 HH12 ARG 31 HH12 ARG 31 2.302 -0.718 13.192
202 HH21 ARG 31 HH21 ARG 31 3.692 -3.920 13.261
203 HH22 ARG 31 HH22 ARG 31 2.361 -2.929 13.755
204 HA PRO 32 HA PRO 32 6.911 -1.264 4.570
205 HB2 PRO 32 HB2 PRO 32 9.304 -1.555 3.344
206 HB3 PRO 32 HB1 PRO 32 8.485 0.007 3.467
207 HG2 PRO 32 HG2 PRO 32 10.716 -1.097 5.130
208 HG3 PRO 32 HG1 PRO 32 10.522 0.533 4.459
209 HD2 PRO 32 HD2 PRO 32 9.956 -0.073 7.045
210 HD3 PRO 32 HD1 PRO 32 9.098 1.192 6.142
211 H HIS 33 HN HIS 33 6.382 -3.338 4.327
212 HA HIS 33 HA HIS 33 8.239 -5.463 4.344
213 HB2 HIS 33 HB2 HIS 33 7.396 -6.671 6.351
214 HB3 HIS 33 HB1 HIS 33 8.260 -5.189 6.747
215 HD1 HIS 33 HD1 HIS 33 7.108 -4.682 8.937
216 HD2 HIS 33 HD2 HIS 33 4.440 -5.236 5.799
217 HE1 HIS 33 HE1 HIS 33 4.862 -3.992 9.833
218 HE2 HIS 33 HE2 HIS 33 3.251 -4.410 7.941
219 H SER 34 HN SER 34 6.343 -4.658 2.540
220 HA SER 34 HA SER 34 4.940 -7.042 2.042
221 HB2 SER 34 HB2 SER 34 3.564 -5.147 3.722
222 HB3 SER 34 HB1 SER 34 2.701 -5.334 2.195
223 HG SER 34 HG SER 34 3.434 -7.363 4.032
224 H ASP 35 HN ASP 35 4.072 -7.103 -0.024
225 HA ASP 35 HA ASP 35 5.130 -5.254 -1.873
226 HB2 ASP 35 HB2 ASP 35 4.543 -7.727 -2.241
227 HB3 ASP 35 HB1 ASP 35 2.889 -7.172 -2.483
228 H PHE 36 HN PHE 36 1.908 -5.681 -0.490
229 HA PHE 36 HA PHE 36 0.510 -3.936 -2.157
230 HB2 PHE 36 HB2 PHE 36 -1.163 -3.811 -0.388
231 HB3 PHE 36 HB1 PHE 36 -0.588 -5.463 -0.574
232 HD1 PHE 36 HD2 PHE 36 0.025 -2.396 1.449
233 HD2 PHE 36 HD1 PHE 36 0.054 -6.649 1.293
234 HE1 PHE 36 HE2 PHE 36 0.540 -2.477 3.853
235 HE2 PHE 36 HE1 PHE 36 0.566 -6.737 3.698
236 HZ PHE 36 HZ PHE 36 0.811 -4.649 4.981
237 H CYS 37 HN CYS 37 2.780 -3.277 0.361
238 HA CYS 37 HA CYS 37 1.969 -0.626 0.959
239 HB2 CYS 37 HB2 CYS 37 4.805 -1.636 1.135
240 HB3 CYS 37 HB1 CYS 37 4.023 -0.409 2.126
241 H LEU 38 HN LEU 38 4.073 -2.040 -1.472
242 HA LEU 38 HA LEU 38 5.275 0.314 -2.412
243 HB2 LEU 38 HB2 LEU 38 4.752 -2.393 -3.544
244 HB3 LEU 38 HB1 LEU 38 5.234 -1.119 -4.649
245 HG LEU 38 HG LEU 38 7.145 -2.470 -3.909
246 HD11 LEU 38 HD11 LEU 38 7.279 0.313 -2.766
247 HD12 LEU 38 HD12 LEU 38 7.391 -0.061 -4.485
248 HD13 LEU 38 HD13 LEU 38 8.618 -0.663 -3.370
249 HD21 LEU 38 HD21 LEU 38 7.898 -2.451 -1.627
250 HD22 LEU 38 HD22 LEU 38 6.230 -3.022 -1.669
251 HD23 LEU 38 HD23 LEU 38 6.586 -1.371 -1.158
252 H GLY 39 HN GLY 39 2.124 -1.081 -2.947
253 HA2 GLY 39 HA2 GLY 39 1.450 0.524 -5.220
254 HA3 GLY 39 HA1 GLY 39 0.332 -0.411 -4.237
255 H CYS 40 HN CYS 40 0.892 0.793 -1.734
256 HA CYS 40 HA CYS 40 -0.734 3.142 -1.981
257 HB2 CYS 40 HB2 CYS 40 0.459 1.588 0.270
258 HB3 CYS 40 HB1 CYS 40 -0.052 3.243 0.584
259 H ALA 41 HN ALA 41 2.613 2.514 -0.987
260 HA ALA 41 HA ALA 41 3.206 5.320 -0.792
261 HB1 ALA 41 HB1 ALA 41 5.621 4.098 -0.628
262 HB2 ALA 41 HB2 ALA 41 4.545 2.804 -0.100
263 HB3 ALA 41 HB3 ALA 41 4.538 4.356 0.738
264 H ALA 42 HN ALA 42 2.589 5.740 -3.067
265 HA ALA 42 HA ALA 42 4.153 4.695 -5.204
266 HB1 ALA 42 HB1 ALA 42 2.753 5.830 -6.562
267 HB2 ALA 42 HB2 ALA 42 2.833 7.302 -5.594
268 HB3 ALA 42 HB3 ALA 42 1.787 5.973 -5.094
269 H ALA 43 HN ALA 43 6.108 5.273 -5.876
270 HA ALA 43 HA ALA 43 8.084 6.382 -6.086
271 HB1 ALA 43 HB1 ALA 43 7.705 9.027 -5.882
272 HB2 ALA 43 HB2 ALA 43 6.039 8.512 -6.151
273 HB3 ALA 43 HB3 ALA 43 7.290 8.099 -7.324
274 HA PRO 44 HA PRO 44 8.857 6.321 -1.561
275 HB2 PRO 44 HB2 PRO 44 11.592 6.257 -2.760
276 HB3 PRO 44 HB1 PRO 44 10.928 5.309 -1.425
277 HG2 PRO 44 HG2 PRO 44 11.227 4.222 -3.832
278 HG3 PRO 44 HG1 PRO 44 9.804 3.856 -2.840
279 HD2 PRO 44 HD2 PRO 44 10.043 5.604 -5.241
280 HD3 PRO 44 HD1 PRO 44 8.680 4.604 -4.700
281 HA PRO 45 HA PRO 45 9.348 10.866 -1.848
282 HB2 PRO 45 HB2 PRO 45 9.043 10.439 1.086
283 HB3 PRO 45 HB1 PRO 45 8.250 11.614 0.032
284 HG2 PRO 45 HG2 PRO 45 6.934 9.472 0.905
285 HG3 PRO 45 HG1 PRO 45 6.707 10.068 -0.750
286 HD2 PRO 45 HD2 PRO 45 8.250 7.706 0.221
287 HD3 PRO 45 HD1 PRO 45 7.305 7.904 -1.268
288 H ALA 46 HN ALA 46 10.820 8.803 0.657
289 HA ALA 46 HA ALA 46 13.360 10.209 0.218
290 HB1 ALA 46 HB1 ALA 46 12.776 9.415 3.005
291 HB2 ALA 46 HB2 ALA 46 11.906 10.815 2.380
292 HB3 ALA 46 HB3 ALA 46 13.670 10.802 2.382
293 HA PRO 47 HA PRO 47 15.167 6.189 0.184
294 HB2 PRO 47 HB2 PRO 47 17.598 6.622 1.302
295 HB3 PRO 47 HB1 PRO 47 17.172 7.202 -0.312
296 HG2 PRO 47 HG2 PRO 47 17.209 8.688 2.287
297 HG3 PRO 47 HG1 PRO 47 17.788 9.208 0.693
298 HD2 PRO 47 HD2 PRO 47 15.399 9.989 1.707
299 HD3 PRO 47 HD1 PRO 47 15.675 9.767 -0.033
300 H PHE 48 HN PHE 48 16.804 4.866 1.831
301 HA PHE 48 HA PHE 48 15.097 4.168 4.018
302 HB2 PHE 48 HB2 PHE 48 16.433 2.502 2.747
303 HB3 PHE 48 HB1 PHE 48 17.901 3.207 3.415
304 HD1 PHE 48 HD2 PHE 48 14.627 1.881 4.624
305 HD2 PHE 48 HD1 PHE 48 18.832 2.154 5.221
306 HE1 PHE 48 HE2 PHE 48 14.441 0.399 6.580
307 HE2 PHE 48 HE1 PHE 48 18.653 0.673 7.178
308 HZ PHE 48 HZ PHE 48 16.457 -0.207 7.860
309 H ARG 49 HN ARG 49 15.906 3.955 6.263
310 HA ARG 49 HA ARG 49 16.703 6.426 7.301
311 HB2 ARG 49 HB2 ARG 49 16.602 3.657 8.475
312 HB3 ARG 49 HB1 ARG 49 17.164 5.030 9.418
313 HG2 ARG 49 HG2 ARG 49 15.011 5.196 10.009
314 HG3 ARG 49 HG1 ARG 49 14.837 6.008 8.452
315 HD2 ARG 49 HD2 ARG 49 14.602 3.422 7.698
316 HD3 ARG 49 HD1 ARG 49 13.918 3.349 9.322
317 HE ARG 49 HE ARG 49 12.771 4.613 7.008
318 HH11 ARG 49 HH11 ARG 49 12.832 4.541 10.497
319 HH12 ARG 49 HH12 ARG 49 11.252 5.229 10.663
320 HH21 ARG 49 HH21 ARG 49 10.691 5.517 7.225
321 HH22 ARG 49 HH22 ARG 49 10.036 5.782 8.806
322 H LEU 50 HN LEU 50 18.606 7.298 6.710
323 HA LEU 50 HA LEU 50 20.993 5.741 6.399
324 HB2 LEU 50 HB2 LEU 50 20.686 8.741 6.545
325 HB3 LEU 50 HB1 LEU 50 22.086 7.869 5.952
326 HG LEU 50 HG LEU 50 20.149 6.871 4.326
327 HD11 LEU 50 HD11 LEU 50 18.337 8.177 4.936
328 HD12 LEU 50 HD12 LEU 50 18.988 9.043 3.545
329 HD13 LEU 50 HD13 LEU 50 19.324 9.617 5.178
330 HD21 LEU 50 HD21 LEU 50 22.006 7.539 3.206
331 HD22 LEU 50 HD22 LEU 50 22.157 9.039 4.122
332 HD23 LEU 50 HD23 LEU 50 20.971 8.914 2.821
333 H LEU 51 HN LEU 51 21.376 4.762 8.392
334 HA LEU 51 HA LEU 51 22.389 6.591 10.461
335 HB2 LEU 51 HB2 LEU 51 20.759 4.087 10.890
336 HB3 LEU 51 HB1 LEU 51 21.584 4.959 12.168
337 HG LEU 51 HG LEU 51 19.722 6.556 10.517
338 HD11 LEU 51 HD11 LEU 51 17.738 5.711 11.405
339 HD12 LEU 51 HD12 LEU 51 18.582 4.747 12.618
340 HD13 LEU 51 HD13 LEU 51 18.634 4.272 10.920
341 HD21 LEU 51 HD21 LEU 51 20.656 6.399 13.340
342 HD22 LEU 51 HD22 LEU 51 19.105 7.164 12.997
343 HD23 LEU 51 HD23 LEU 51 20.579 7.784 12.252
344 H TRP 52 HN TRP 52 23.562 4.994 12.197
345 HA TRP 52 HA TRP 52 25.873 4.089 10.837
346 HB2 TRP 52 HB2 TRP 52 24.972 3.845 13.704
347 HB3 TRP 52 HB1 TRP 52 26.507 3.194 13.139
348 HD1 TRP 52 HD1 TRP 52 24.924 6.341 14.355
349 HE1 TRP 52 HE1 TRP 52 26.604 8.286 14.217
350 HE3 TRP 52 HE3 TRP 52 28.539 4.092 11.524
351 HZ2 TRP 52 HZ2 TRP 52 29.127 8.799 13.061
352 HZ3 TRP 52 HZ3 TRP 52 30.554 5.379 10.946
353 HH2 TRP 52 HH2 TRP 52 30.841 7.684 11.699
354 HA PRO 53 HA PRO 53 24.136 -0.345 12.257
355 HB2 PRO 53 HB2 PRO 53 21.295 0.322 11.643
356 HB3 PRO 53 HB1 PRO 53 21.957 -0.763 12.871
357 HG2 PRO 53 HG2 PRO 53 21.011 1.629 13.549
358 HG3 PRO 53 HG1 PRO 53 22.468 0.974 14.322
359 HD2 PRO 53 HD2 PRO 53 22.217 3.089 12.231
360 HD3 PRO 53 HD1 PRO 53 23.366 2.958 13.576
Start of MODEL 8
1 H1 GLU 1 HT1 GLU 1 -18.517 -13.810 8.991
2 H2 GLU 1 HT2 GLU 1 -17.478 -13.936 7.632
3 H3 GLU 1 HT3 GLU 1 -17.417 -15.118 8.876
4 HA GLU 1 HA GLU 1 -19.804 -15.567 8.347
5 HB2 GLU 1 HB2 GLU 1 -18.936 -14.051 5.876
6 HB3 GLU 1 HB1 GLU 1 -20.429 -14.967 6.026
7 HG2 GLU 1 HG2 GLU 1 -21.461 -13.253 6.965
8 HG3 GLU 1 HG1 GLU 1 -20.201 -13.096 8.188
9 H GLN 2 HN GLN 2 -20.255 -17.279 6.691
10 HA GLN 2 HA GLN 2 -17.767 -18.726 6.081
11 HB2 GLN 2 HB2 GLN 2 -19.158 -20.769 6.111
12 HB3 GLN 2 HB1 GLN 2 -19.193 -19.910 7.644
13 HG2 GLN 2 HG2 GLN 2 -21.322 -19.358 5.641
14 HG3 GLN 2 HG1 GLN 2 -21.383 -20.857 6.567
15 HE21 GLN 2 HE21 GLN 2 -22.504 -17.815 6.483
16 HE22 GLN 2 HE22 GLN 2 -22.786 -17.541 8.164
17 H ALA 3 HN ALA 3 -20.750 -17.505 4.754
18 HA ALA 3 HA ALA 3 -20.839 -18.882 2.333
19 HB1 ALA 3 HB1 ALA 3 -21.912 -16.589 1.565
20 HB2 ALA 3 HB2 ALA 3 -21.891 -16.279 3.301
21 HB3 ALA 3 HB3 ALA 3 -22.749 -17.683 2.666
22 HA PRO 4 HA PRO 4 -18.296 -15.287 0.278
23 HB2 PRO 4 HB2 PRO 4 -16.902 -13.693 2.030
24 HB3 PRO 4 HB1 PRO 4 -18.477 -13.278 1.345
25 HG2 PRO 4 HG2 PRO 4 -17.821 -14.449 4.018
26 HG3 PRO 4 HG1 PRO 4 -19.003 -13.193 3.603
27 HD2 PRO 4 HD2 PRO 4 -19.746 -15.730 4.072
28 HD3 PRO 4 HD1 PRO 4 -20.562 -14.732 2.851
29 H GLY 5 HN GLY 5 -15.836 -14.794 0.195
30 HA2 GLY 5 HA2 GLY 5 -14.489 -17.282 0.807
31 HA3 GLY 5 HA1 GLY 5 -13.841 -15.946 -0.132
32 H THR 6 HN THR 6 -12.024 -15.271 0.776
33 HA THR 6 HA THR 6 -12.036 -14.700 3.656
34 HB THR 6 HB THR 6 -10.872 -16.847 3.285
35 HG1 THR 6 HG1 THR 6 -10.116 -15.568 4.962
36 HG21 THR 6 HG21 THR 6 -8.725 -16.916 2.153
37 HG22 THR 6 HG22 THR 6 -8.938 -15.245 1.629
38 HG23 THR 6 HG23 THR 6 -10.023 -16.502 1.033
39 H ALA 7 HN ALA 7 -9.360 -13.801 3.777
40 HA ALA 7 HA ALA 7 -7.994 -12.034 3.305
41 HB1 ALA 7 HB1 ALA 7 -7.699 -11.432 1.161
42 HB2 ALA 7 HB2 ALA 7 -9.409 -11.077 0.917
43 HB3 ALA 7 HB3 ALA 7 -8.831 -12.741 0.825
44 HA PRO 8 HA PRO 8 -10.720 -8.993 5.161
45 HB2 PRO 8 HB2 PRO 8 -8.839 -7.538 6.394
46 HB3 PRO 8 HB1 PRO 8 -9.274 -9.155 6.963
47 HG2 PRO 8 HG2 PRO 8 -6.932 -8.294 5.313
48 HG3 PRO 8 HG1 PRO 8 -6.989 -9.444 6.660
49 HD2 PRO 8 HD2 PRO 8 -6.983 -10.169 4.007
50 HD3 PRO 8 HD1 PRO 8 -7.648 -11.169 5.312
51 H CYS 9 HN CYS 9 -10.942 -8.397 2.724
52 HA CYS 9 HA CYS 9 -9.964 -5.671 2.421
53 HB2 CYS 9 HB2 CYS 9 -9.717 -7.923 0.480
54 HB3 CYS 9 HB1 CYS 9 -9.963 -6.295 -0.140
55 H SER 10 HN SER 10 -11.279 -4.311 1.066
56 HA SER 10 HA SER 10 -13.805 -5.230 0.090
57 HB2 SER 10 HB2 SER 10 -13.995 -3.276 2.374
58 HB3 SER 10 HB1 SER 10 -15.280 -4.227 1.629
59 HG SER 10 HG SER 10 -14.593 -5.061 3.669
60 H ARG 11 HN ARG 11 -12.052 -2.365 1.265
61 HA ARG 11 HA ARG 11 -11.889 -1.143 -1.251
62 HB2 ARG 11 HB2 ARG 11 -14.450 -0.953 -0.311
63 HB3 ARG 11 HB1 ARG 11 -13.747 0.545 0.284
64 HG2 ARG 11 HG2 ARG 11 -14.314 1.355 -1.719
65 HG3 ARG 11 HG1 ARG 11 -12.861 0.528 -2.283
66 HD2 ARG 11 HD2 ARG 11 -14.110 -0.728 -3.621
67 HD3 ARG 11 HD1 ARG 11 -14.948 -1.382 -2.215
68 HE ARG 11 HE ARG 11 -16.152 1.028 -2.692
69 HH11 ARG 11 HH11 ARG 11 -15.594 -1.873 -4.549
70 HH12 ARG 11 HH12 ARG 11 -17.023 -1.684 -5.508
71 HH21 ARG 11 HH21 ARG 11 -18.031 1.280 -3.953
72 HH22 ARG 11 HH22 ARG 11 -18.406 0.106 -5.171
73 H GLY 12 HN GLY 12 -9.903 -0.377 -0.843
74 HA2 GLY 12 HA2 GLY 12 -8.838 1.709 -0.036
75 HA3 GLY 12 HA1 GLY 12 -9.583 1.373 1.519
76 H SER 13 HN SER 13 -8.027 -0.993 -0.579
77 HA SER 13 HA SER 13 -5.706 -1.088 1.192
78 HB2 SER 13 HB2 SER 13 -6.918 -2.743 2.290
79 HB3 SER 13 HB1 SER 13 -7.700 -3.297 0.810
80 HG SER 13 HG SER 13 -5.798 -4.284 0.198
81 H SER 14 HN SER 14 -3.858 -2.010 0.259
82 HA SER 14 HA SER 14 -3.836 -1.925 -2.616
83 HB2 SER 14 HB2 SER 14 -1.327 -2.361 -2.228
84 HB3 SER 14 HB1 SER 14 -1.988 -0.829 -1.657
85 HG SER 14 HG SER 14 -0.826 -1.628 0.020
86 H TRP 15 HN TRP 15 -2.698 -3.595 -3.880
87 HA TRP 15 HA TRP 15 -3.410 -6.271 -2.899
88 HB2 TRP 15 HB2 TRP 15 -4.581 -5.949 -4.893
89 HB3 TRP 15 HB1 TRP 15 -3.270 -5.042 -5.634
90 HD1 TRP 15 HD1 TRP 15 -1.757 -6.336 -7.261
91 HE1 TRP 15 HE1 TRP 15 -1.472 -8.808 -7.917
92 HE3 TRP 15 HE3 TRP 15 -4.775 -8.475 -3.730
93 HZ2 TRP 15 HZ2 TRP 15 -2.401 -11.324 -7.052
94 HZ3 TRP 15 HZ3 TRP 15 -5.025 -10.920 -3.716
95 HH2 TRP 15 HH2 TRP 15 -3.861 -12.316 -5.346
96 H SER 16 HN SER 16 -1.954 -8.062 -3.515
97 HA SER 16 HA SER 16 0.818 -7.224 -3.862
98 HB2 SER 16 HB2 SER 16 -0.021 -7.913 -1.430
99 HB3 SER 16 HB1 SER 16 0.283 -9.531 -2.062
100 HG SER 16 HG SER 16 2.209 -7.484 -2.303
101 H ALA 17 HN ALA 17 2.135 -8.615 -5.008
102 HA ALA 17 HA ALA 17 0.727 -10.810 -6.372
103 HB1 ALA 17 HB1 ALA 17 2.874 -10.435 -7.931
104 HB2 ALA 17 HB2 ALA 17 2.713 -8.812 -7.262
105 HB3 ALA 17 HB3 ALA 17 1.367 -9.544 -8.135
106 H ASP 18 HN ASP 18 3.377 -10.039 -4.305
107 HA ASP 18 HA ASP 18 5.178 -12.076 -4.768
108 HB2 ASP 18 HB2 ASP 18 5.625 -11.926 -2.253
109 HB3 ASP 18 HB1 ASP 18 5.791 -10.439 -3.181
110 H LEU 19 HN LEU 19 2.095 -12.196 -3.095
111 HA LEU 19 HA LEU 19 2.153 -15.100 -3.245
112 HB2 LEU 19 HB2 LEU 19 1.160 -15.002 -0.792
113 HB3 LEU 19 HB1 LEU 19 2.879 -15.158 -1.093
114 HG LEU 19 HG LEU 19 2.958 -12.594 -0.891
115 HD11 LEU 19 HD11 LEU 19 0.552 -12.839 0.824
116 HD12 LEU 19 HD12 LEU 19 0.309 -12.670 -0.914
117 HD13 LEU 19 HD13 LEU 19 1.203 -11.436 -0.025
118 HD21 LEU 19 HD21 LEU 19 2.623 -12.950 1.740
119 HD22 LEU 19 HD22 LEU 19 4.029 -13.547 0.858
120 HD23 LEU 19 HD23 LEU 19 2.692 -14.636 1.227
121 H ASP 20 HN ASP 20 0.658 -12.757 -4.397
122 HA ASP 20 HA ASP 20 -1.478 -12.103 -4.878
123 HB2 ASP 20 HB2 ASP 20 -1.393 -15.046 -4.888
124 HB3 ASP 20 HB1 ASP 20 -3.013 -14.365 -4.772
125 H LYS 21 HN LYS 21 -1.697 -10.865 -2.933
126 HA LYS 21 HA LYS 21 -4.055 -11.461 -1.506
127 HB2 LYS 21 HB2 LYS 21 -1.595 -12.466 -0.368
128 HB3 LYS 21 HB1 LYS 21 -2.332 -11.280 0.701
129 HG2 LYS 21 HG2 LYS 21 -3.842 -13.609 -0.451
130 HG3 LYS 21 HG1 LYS 21 -2.988 -13.672 1.093
131 HD2 LYS 21 HD2 LYS 21 -4.520 -11.336 1.193
132 HD3 LYS 21 HD1 LYS 21 -5.574 -12.551 0.465
133 HE2 LYS 21 HE2 LYS 21 -5.831 -12.562 2.874
134 HE3 LYS 21 HE1 LYS 21 -5.088 -14.069 2.336
135 HZ1 LYS 21 HZ1 LYS 21 -3.711 -13.558 4.045
136 HZ2 LYS 21 HZ2 LYS 21 -3.945 -11.888 3.908
137 HZ3 LYS 21 HZ3 LYS 21 -2.912 -12.687 2.832
138 H CYS 22 HN CYS 22 -4.941 -9.580 -0.972
139 HA CYS 22 HA CYS 22 -3.400 -7.161 -1.232
140 HB2 CYS 22 HB2 CYS 22 -5.594 -6.040 -0.779
141 HB3 CYS 22 HB1 CYS 22 -5.622 -7.149 -2.146
142 H MET 23 HN MET 23 -3.620 -5.406 0.413
143 HA MET 23 HA MET 23 -4.120 -6.137 3.126
144 HB2 MET 23 HB2 MET 23 -1.535 -6.654 2.128
145 HB3 MET 23 HB1 MET 23 -1.393 -5.221 3.135
146 HG2 MET 23 HG2 MET 23 -2.976 -7.392 4.306
147 HG3 MET 23 HG1 MET 23 -1.275 -7.770 4.038
148 HE1 MET 23 HE1 MET 23 -0.846 -7.405 7.499
149 HE2 MET 23 HE2 MET 23 0.518 -6.859 6.525
150 HE3 MET 23 HE3 MET 23 -0.505 -8.176 5.951
151 H ASP 24 HN ASP 24 -4.645 -4.389 4.292
152 HA ASP 24 HA ASP 24 -4.944 -1.883 3.071
153 HB2 ASP 24 HB2 ASP 24 -6.299 -2.691 4.991
154 HB3 ASP 24 HB1 ASP 24 -4.896 -2.487 6.035
155 H CYS 25 HN CYS 25 -3.935 0.129 3.533
156 HA CYS 25 HA CYS 25 -1.108 0.008 3.581
157 HB2 CYS 25 HB2 CYS 25 -2.994 1.876 2.815
158 HB3 CYS 25 HB1 CYS 25 -2.238 2.629 4.214
159 H ALA 26 HN ALA 26 -3.460 0.196 6.074
160 HA ALA 26 HA ALA 26 -2.181 1.596 8.083
161 HB1 ALA 26 HB1 ALA 26 -3.937 -0.844 8.293
162 HB2 ALA 26 HB2 ALA 26 -4.443 0.845 8.350
163 HB3 ALA 26 HB3 ALA 26 -3.470 0.172 9.658
164 H SER 27 HN SER 27 -1.391 -1.509 6.760
165 HA SER 27 HA SER 27 0.015 -2.655 8.881
166 HB2 SER 27 HB2 SER 27 -0.403 -4.051 7.027
167 HB3 SER 27 HB1 SER 27 0.292 -2.895 5.891
168 HG SER 27 HG SER 27 1.826 -4.136 7.917
169 H CYS 28 HN CYS 28 1.177 -0.504 6.301
170 HA CYS 28 HA CYS 28 3.792 -0.344 7.509
171 HB2 CYS 28 HB2 CYS 28 2.797 1.273 5.171
172 HB3 CYS 28 HB1 CYS 28 4.461 0.872 5.580
173 H ARG 29 HN ARG 29 2.157 0.538 9.387
174 HA ARG 29 HA ARG 29 1.414 3.242 9.323
175 HB2 ARG 29 HB2 ARG 29 1.381 3.073 11.804
176 HB3 ARG 29 HB1 ARG 29 0.513 1.770 11.004
177 HG2 ARG 29 HG2 ARG 29 1.649 0.496 12.466
178 HG3 ARG 29 HG1 ARG 29 2.925 0.620 11.252
179 HD2 ARG 29 HD2 ARG 29 3.910 2.491 12.455
180 HD3 ARG 29 HD1 ARG 29 2.610 2.430 13.645
181 HE ARG 29 HE ARG 29 3.661 -0.057 13.758
182 HH11 ARG 29 HH11 ARG 29 5.069 3.131 13.955
183 HH12 ARG 29 HH12 ARG 29 6.363 2.630 14.992
184 HH21 ARG 29 HH21 ARG 29 5.361 -0.716 15.123
185 HH22 ARG 29 HH22 ARG 29 6.528 0.448 15.655
186 H ALA 30 HN ALA 30 4.475 1.695 9.900
187 HA ALA 30 HA ALA 30 5.662 4.311 10.557
188 HB1 ALA 30 HB1 ALA 30 7.234 1.855 11.034
189 HB2 ALA 30 HB2 ALA 30 5.831 2.110 12.072
190 HB3 ALA 30 HB3 ALA 30 7.103 3.328 11.997
191 H ARG 31 HN ARG 31 6.468 1.249 8.905
192 HA ARG 31 HA ARG 31 7.596 2.774 6.694
193 HB2 ARG 31 HB2 ARG 31 9.169 1.024 8.535
194 HB3 ARG 31 HB1 ARG 31 9.595 1.052 6.830
195 HG2 ARG 31 HG2 ARG 31 10.872 2.801 7.329
196 HG3 ARG 31 HG1 ARG 31 9.370 3.721 7.450
197 HD2 ARG 31 HD2 ARG 31 9.254 3.197 9.843
198 HD3 ARG 31 HD1 ARG 31 10.763 2.295 9.715
199 HE ARG 31 HE ARG 31 11.921 4.279 9.679
200 HH11 ARG 31 HH11 ARG 31 8.517 4.924 9.248
201 HH12 ARG 31 HH12 ARG 31 8.691 6.636 9.435
202 HH21 ARG 31 HH21 ARG 31 12.150 6.531 9.923
203 HH22 ARG 31 HH22 ARG 31 10.752 7.549 9.817
204 HA PRO 32 HA PRO 32 5.979 -0.453 4.183
205 HB2 PRO 32 HB2 PRO 32 7.895 -0.777 2.273
206 HB3 PRO 32 HB1 PRO 32 6.796 0.606 2.322
207 HG2 PRO 32 HG2 PRO 32 9.625 0.398 3.276
208 HG3 PRO 32 HG1 PRO 32 8.840 1.713 2.381
209 HD2 PRO 32 HD2 PRO 32 9.262 1.839 5.042
210 HD3 PRO 32 HD1 PRO 32 7.841 2.577 4.275
211 H HIS 33 HN HIS 33 6.219 -2.662 3.502
212 HA HIS 33 HA HIS 33 8.482 -4.244 3.986
213 HB2 HIS 33 HB2 HIS 33 7.530 -3.534 6.374
214 HB3 HIS 33 HB1 HIS 33 6.457 -4.895 6.073
215 HD1 HIS 33 HD1 HIS 33 7.850 -7.193 5.378
216 HD2 HIS 33 HD2 HIS 33 9.869 -4.260 7.518
217 HE1 HIS 33 HE1 HIS 33 9.841 -8.350 6.389
218 HE2 HIS 33 HE2 HIS 33 11.000 -6.575 7.751
219 H SER 34 HN SER 34 6.560 -3.976 1.969
220 HA SER 34 HA SER 34 5.961 -6.651 1.402
221 HB2 SER 34 HB2 SER 34 3.987 -5.319 3.026
222 HB3 SER 34 HB1 SER 34 3.297 -5.719 1.452
223 HG SER 34 HG SER 34 4.020 -7.361 3.516
224 H ASP 35 HN ASP 35 5.118 -6.932 -0.685
225 HA ASP 35 HA ASP 35 5.796 -5.001 -2.565
226 HB2 ASP 35 HB2 ASP 35 4.345 -7.574 -2.601
227 HB3 ASP 35 HB1 ASP 35 4.004 -6.495 -3.951
228 H PHE 36 HN PHE 36 2.589 -5.845 -1.284
229 HA PHE 36 HA PHE 36 1.080 -4.094 -2.841
230 HB2 PHE 36 HB2 PHE 36 -0.638 -4.279 -1.090
231 HB3 PHE 36 HB1 PHE 36 0.063 -5.847 -1.472
232 HD1 PHE 36 HD1 PHE 36 0.428 -3.021 0.928
233 HD2 PHE 36 HD2 PHE 36 0.781 -7.207 0.245
234 HE1 PHE 36 HE1 PHE 36 0.942 -3.363 3.309
235 HE2 PHE 36 HE2 PHE 36 1.294 -7.556 2.626
236 HZ PHE 36 HZ PHE 36 1.375 -5.633 4.161
237 H CYS 37 HN CYS 37 3.063 -3.493 -0.044
238 HA CYS 37 HA CYS 37 1.972 -0.935 0.585
239 HB2 CYS 37 HB2 CYS 37 3.354 -2.449 2.113
240 HB3 CYS 37 HB1 CYS 37 4.766 -1.856 1.245
241 H LEU 38 HN LEU 38 4.520 -2.086 -1.529
242 HA LEU 38 HA LEU 38 5.827 0.337 -2.028
243 HB2 LEU 38 HB2 LEU 38 5.569 -2.263 -3.429
244 HB3 LEU 38 HB1 LEU 38 6.129 -0.905 -4.387
245 HG LEU 38 HG LEU 38 8.039 -2.101 -3.566
246 HD11 LEU 38 HD11 LEU 38 9.257 -0.326 -2.754
247 HD12 LEU 38 HD12 LEU 38 7.943 0.249 -1.730
248 HD13 LEU 38 HD13 LEU 38 7.875 0.498 -3.474
249 HD21 LEU 38 HD21 LEU 38 6.493 -2.117 -1.056
250 HD22 LEU 38 HD22 LEU 38 8.235 -1.900 -0.891
251 HD23 LEU 38 HD23 LEU 38 7.597 -3.320 -1.721
252 H GLY 39 HN GLY 39 2.820 -0.954 -3.243
253 HA2 GLY 39 HA2 GLY 39 2.606 1.056 -5.328
254 HA3 GLY 39 HA1 GLY 39 1.418 -0.180 -4.943
255 H CYS 40 HN CYS 40 1.416 0.528 -2.083
256 HA CYS 40 HA CYS 40 -0.524 2.665 -2.259
257 HB2 CYS 40 HB2 CYS 40 -0.903 0.644 -0.853
258 HB3 CYS 40 HB1 CYS 40 0.432 1.150 0.178
259 H ALA 41 HN ALA 41 2.489 2.087 -0.447
260 HA ALA 41 HA ALA 41 2.658 4.611 0.749
261 HB1 ALA 41 HB1 ALA 41 4.780 2.601 0.033
262 HB2 ALA 41 HB2 ALA 41 4.020 2.871 1.602
263 HB3 ALA 41 HB3 ALA 41 5.117 4.079 0.934
264 H ALA 42 HN ALA 42 2.582 6.463 -0.356
265 HA ALA 42 HA ALA 42 3.905 6.676 -2.948
266 HB1 ALA 42 HB1 ALA 42 2.768 8.880 -3.069
267 HB2 ALA 42 HB2 ALA 42 2.059 8.557 -1.488
268 HB3 ALA 42 HB3 ALA 42 1.661 7.524 -2.861
269 H ALA 43 HN ALA 43 6.074 6.602 -2.134
270 HA ALA 43 HA ALA 43 8.052 7.534 -1.505
271 HB1 ALA 43 HB1 ALA 43 6.652 10.189 -1.734
272 HB2 ALA 43 HB2 ALA 43 7.246 9.275 -3.120
273 HB3 ALA 43 HB3 ALA 43 8.376 9.859 -1.899
274 HA PRO 44 HA PRO 44 6.768 7.684 2.906
275 HB2 PRO 44 HB2 PRO 44 9.580 6.773 3.162
276 HB3 PRO 44 HB1 PRO 44 8.112 6.115 3.888
277 HG2 PRO 44 HG2 PRO 44 9.329 4.863 1.866
278 HG3 PRO 44 HG1 PRO 44 7.561 4.896 2.000
279 HD2 PRO 44 HD2 PRO 44 9.358 6.472 0.207
280 HD3 PRO 44 HD1 PRO 44 7.760 5.775 -0.125
281 HA PRO 45 HA PRO 45 10.377 10.706 3.749
282 HB2 PRO 45 HB2 PRO 45 12.315 11.088 1.943
283 HB3 PRO 45 HB1 PRO 45 12.336 9.696 3.034
284 HG2 PRO 45 HG2 PRO 45 11.517 9.840 0.162
285 HG3 PRO 45 HG1 PRO 45 12.454 8.590 0.999
286 HD2 PRO 45 HD2 PRO 45 9.762 8.411 0.432
287 HD3 PRO 45 HD1 PRO 45 10.579 7.511 1.723
288 H ALA 46 HN ALA 46 11.430 12.820 2.556
289 HA ALA 46 HA ALA 46 9.221 14.344 1.712
290 HB1 ALA 46 HB1 ALA 46 11.268 15.888 0.929
291 HB2 ALA 46 HB2 ALA 46 12.124 14.792 2.015
292 HB3 ALA 46 HB3 ALA 46 10.759 15.737 2.610
293 HA PRO 47 HA PRO 47 9.405 12.915 -2.575
294 HB2 PRO 47 HB2 PRO 47 7.034 13.949 -3.342
295 HB3 PRO 47 HB1 PRO 47 7.150 12.472 -2.378
296 HG2 PRO 47 HG2 PRO 47 6.561 15.271 -1.493
297 HG3 PRO 47 HG1 PRO 47 5.782 13.756 -1.002
298 HD2 PRO 47 HD2 PRO 47 7.677 15.005 0.499
299 HD3 PRO 47 HD1 PRO 47 7.441 13.245 0.505
300 H PHE 48 HN PHE 48 9.455 13.959 -4.668
301 HA PHE 48 HA PHE 48 10.326 16.752 -4.466
302 HB2 PHE 48 HB2 PHE 48 11.382 14.499 -5.807
303 HB3 PHE 48 HB1 PHE 48 10.809 15.599 -7.057
304 HD1 PHE 48 HD2 PHE 48 11.400 18.198 -6.325
305 HD2 PHE 48 HD1 PHE 48 13.614 14.691 -5.366
306 HE1 PHE 48 HE2 PHE 48 13.433 19.558 -6.060
307 HE2 PHE 48 HE1 PHE 48 15.650 16.045 -5.098
308 HZ PHE 48 HZ PHE 48 15.562 18.482 -5.445
309 H ARG 49 HN ARG 49 9.367 18.372 -5.588
310 HA ARG 49 HA ARG 49 6.893 17.684 -7.012
311 HB2 ARG 49 HB2 ARG 49 7.744 19.976 -5.332
312 HB3 ARG 49 HB1 ARG 49 6.678 20.341 -6.682
313 HG2 ARG 49 HG2 ARG 49 5.206 19.989 -4.937
314 HG3 ARG 49 HG1 ARG 49 5.219 18.428 -5.759
315 HD2 ARG 49 HD2 ARG 49 6.238 17.380 -4.035
316 HD3 ARG 49 HD1 ARG 49 7.237 18.779 -3.640
317 HE ARG 49 HE ARG 49 4.465 19.147 -2.996
318 HH11 ARG 49 HH11 ARG 49 7.496 17.833 -1.868
319 HH12 ARG 49 HH12 ARG 49 7.062 17.937 -0.195
320 HH21 ARG 49 HH21 ARG 49 3.894 19.286 -0.795
321 HH22 ARG 49 HH22 ARG 49 5.017 18.763 0.414
322 H LEU 50 HN LEU 50 10.006 19.159 -7.384
323 HA LEU 50 HA LEU 50 11.130 19.930 -9.204
324 HB2 LEU 50 HB2 LEU 50 9.211 18.052 -10.239
325 HB3 LEU 50 HB1 LEU 50 9.435 19.359 -11.385
326 HG LEU 50 HG LEU 50 11.872 18.091 -10.242
327 HD11 LEU 50 HD11 LEU 50 11.769 16.155 -11.455
328 HD12 LEU 50 HD12 LEU 50 10.623 16.817 -12.622
329 HD13 LEU 50 HD13 LEU 50 10.071 16.340 -11.016
330 HD21 LEU 50 HD21 LEU 50 12.501 18.413 -12.722
331 HD22 LEU 50 HD22 LEU 50 12.354 19.839 -11.694
332 HD23 LEU 50 HD23 LEU 50 11.049 19.411 -12.801
333 H LEU 51 HN LEU 51 9.142 21.568 -7.829
334 HA LEU 51 HA LEU 51 8.346 23.377 -10.011
335 HB2 LEU 51 HB2 LEU 51 6.952 22.413 -7.709
336 HB3 LEU 51 HB1 LEU 51 7.141 24.149 -7.558
337 HG LEU 51 HG LEU 51 6.097 24.433 -9.785
338 HD11 LEU 51 HD11 LEU 51 6.709 22.247 -10.713
339 HD12 LEU 51 HD12 LEU 51 4.978 22.559 -10.845
340 HD13 LEU 51 HD13 LEU 51 5.586 21.469 -9.599
341 HD21 LEU 51 HD21 LEU 51 4.474 24.791 -8.249
342 HD22 LEU 51 HD22 LEU 51 4.740 23.243 -7.446
343 HD23 LEU 51 HD23 LEU 51 3.817 23.310 -8.947
344 H TRP 52 HN TRP 52 7.942 25.682 -8.545
345 HA TRP 52 HA TRP 52 9.007 27.527 -7.749
346 HB2 TRP 52 HB2 TRP 52 11.052 25.689 -6.507
347 HB3 TRP 52 HB1 TRP 52 10.564 27.292 -5.968
348 HD1 TRP 52 HD1 TRP 52 10.279 24.031 -4.724
349 HE1 TRP 52 HE1 TRP 52 8.106 23.615 -3.410
350 HE3 TRP 52 HE3 TRP 52 7.549 28.022 -6.385
351 HZ2 TRP 52 HZ2 TRP 52 5.570 24.820 -3.114
352 HZ3 TRP 52 HZ3 TRP 52 5.258 28.318 -5.537
353 HH2 TRP 52 HH2 TRP 52 4.291 26.749 -3.936
354 HA PRO 53 HA PRO 53 12.022 27.371 -11.218
355 HB2 PRO 53 HB2 PRO 53 11.358 29.809 -12.213
356 HB3 PRO 53 HB1 PRO 53 10.470 28.333 -12.612
357 HG2 PRO 53 HG2 PRO 53 9.806 30.463 -10.614
358 HG3 PRO 53 HG1 PRO 53 8.739 29.637 -11.765
359 HD2 PRO 53 HD2 PRO 53 8.859 28.957 -9.148
360 HD3 PRO 53 HD1 PRO 53 8.532 27.770 -10.427
Start of MODEL 9
1 H1 GLU 1 HT1 GLU 1 -14.513 -18.279 -13.309
2 H2 GLU 1 HT2 GLU 1 -13.223 -19.060 -12.491
3 H3 GLU 1 HT3 GLU 1 -13.989 -19.829 -13.821
4 HA GLU 1 HA GLU 1 -11.787 -18.807 -14.252
5 HB2 GLU 1 HB2 GLU 1 -13.953 -19.244 -15.799
6 HB3 GLU 1 HB1 GLU 1 -13.781 -17.509 -16.022
7 HG2 GLU 1 HG2 GLU 1 -12.263 -17.913 -17.573
8 HG3 GLU 1 HG1 GLU 1 -11.209 -18.556 -16.315
9 H GLN 2 HN GLN 2 -11.090 -16.660 -15.378
10 HA GLN 2 HA GLN 2 -12.221 -14.231 -14.421
11 HB2 GLN 2 HB2 GLN 2 -10.624 -15.523 -12.561
12 HB3 GLN 2 HB1 GLN 2 -9.534 -14.351 -13.292
13 HG2 GLN 2 HG2 GLN 2 -11.504 -12.693 -12.879
14 HG3 GLN 2 HG1 GLN 2 -12.011 -13.901 -11.700
15 HE21 GLN 2 HE21 GLN 2 -9.082 -12.173 -12.717
16 HE22 GLN 2 HE22 GLN 2 -8.486 -11.895 -11.120
17 H ALA 3 HN ALA 3 -10.424 -12.400 -14.702
18 HA ALA 3 HA ALA 3 -8.337 -12.749 -16.524
19 HB1 ALA 3 HB1 ALA 3 -10.987 -12.614 -17.736
20 HB2 ALA 3 HB2 ALA 3 -9.448 -13.123 -18.429
21 HB3 ALA 3 HB3 ALA 3 -9.865 -11.410 -18.369
22 HA PRO 4 HA PRO 4 -9.725 -7.994 -16.389
23 HB2 PRO 4 HB2 PRO 4 -11.602 -8.322 -14.095
24 HB3 PRO 4 HB1 PRO 4 -11.677 -7.200 -15.458
25 HG2 PRO 4 HG2 PRO 4 -13.256 -9.340 -15.380
26 HG3 PRO 4 HG1 PRO 4 -12.523 -8.806 -16.904
27 HD2 PRO 4 HD2 PRO 4 -11.792 -11.103 -15.150
28 HD3 PRO 4 HD1 PRO 4 -11.733 -10.966 -16.918
29 H GLY 5 HN GLY 5 -9.896 -9.886 -13.371
30 HA2 GLY 5 HA2 GLY 5 -8.264 -10.001 -11.701
31 HA3 GLY 5 HA1 GLY 5 -7.400 -8.687 -12.485
32 H THR 6 HN THR 6 -7.334 -8.294 -9.986
33 HA THR 6 HA THR 6 -7.836 -6.868 -8.289
34 HB THR 6 HB THR 6 -9.690 -5.544 -10.278
35 HG1 THR 6 HG1 THR 6 -6.933 -5.126 -9.771
36 HG21 THR 6 HG21 THR 6 -9.413 -4.960 -7.625
37 HG22 THR 6 HG22 THR 6 -9.941 -3.836 -8.877
38 HG23 THR 6 HG23 THR 6 -8.249 -3.872 -8.382
39 H ALA 7 HN ALA 7 -9.188 -6.900 -6.559
40 HA ALA 7 HA ALA 7 -11.922 -7.900 -6.968
41 HB1 ALA 7 HB1 ALA 7 -11.400 -9.095 -4.653
42 HB2 ALA 7 HB2 ALA 7 -9.765 -9.082 -5.312
43 HB3 ALA 7 HB3 ALA 7 -11.070 -9.865 -6.203
44 HA PRO 8 HA PRO 8 -12.953 -4.622 -4.179
45 HB2 PRO 8 HB2 PRO 8 -15.460 -5.307 -3.527
46 HB3 PRO 8 HB1 PRO 8 -15.036 -4.809 -5.170
47 HG2 PRO 8 HG2 PRO 8 -15.449 -7.561 -4.069
48 HG3 PRO 8 HG1 PRO 8 -15.982 -6.883 -5.618
49 HD2 PRO 8 HD2 PRO 8 -13.753 -8.466 -5.305
50 HD3 PRO 8 HD1 PRO 8 -13.972 -7.300 -6.625
51 H CYS 9 HN CYS 9 -11.263 -6.323 -2.862
52 HA CYS 9 HA CYS 9 -12.510 -7.390 -0.510
53 HB2 CYS 9 HB2 CYS 9 -10.165 -7.866 0.199
54 HB3 CYS 9 HB1 CYS 9 -10.581 -8.546 -1.371
55 H SER 10 HN SER 10 -13.521 -5.465 0.293
56 HA SER 10 HA SER 10 -13.680 -3.711 1.732
57 HB2 SER 10 HB2 SER 10 -12.008 -5.242 3.000
58 HB3 SER 10 HB1 SER 10 -10.792 -4.070 2.491
59 HG SER 10 HG SER 10 -13.162 -3.425 3.914
60 H ARG 11 HN ARG 11 -13.671 -1.594 1.310
61 HA ARG 11 HA ARG 11 -12.159 -0.549 -0.843
62 HB2 ARG 11 HB2 ARG 11 -14.419 0.223 0.602
63 HB3 ARG 11 HB1 ARG 11 -13.244 1.495 0.908
64 HG2 ARG 11 HG2 ARG 11 -13.097 2.071 -1.345
65 HG3 ARG 11 HG1 ARG 11 -13.803 0.543 -1.875
66 HD2 ARG 11 HD2 ARG 11 -15.740 1.633 -2.025
67 HD3 ARG 11 HD1 ARG 11 -15.759 1.644 -0.262
68 HE ARG 11 HE ARG 11 -15.237 3.873 -2.013
69 HH11 ARG 11 HH11 ARG 11 -14.850 2.589 1.211
70 HH12 ARG 11 HH12 ARG 11 -14.648 4.146 1.940
71 HH21 ARG 11 HH21 ARG 11 -14.972 5.920 -1.054
72 HH22 ARG 11 HH22 ARG 11 -14.718 6.036 0.656
73 H GLY 12 HN GLY 12 -10.240 0.447 -0.898
74 HA2 GLY 12 HA2 GLY 12 -8.488 1.792 -0.104
75 HA3 GLY 12 HA1 GLY 12 -9.143 1.647 1.520
76 H SER 13 HN SER 13 -7.900 -0.582 -0.974
77 HA SER 13 HA SER 13 -5.850 -1.502 0.861
78 HB2 SER 13 HB2 SER 13 -7.699 -2.945 1.488
79 HB3 SER 13 HB1 SER 13 -7.991 -3.359 -0.201
80 HG SER 13 HG SER 13 -5.915 -4.334 -0.229
81 H SER 14 HN SER 14 -4.061 -2.251 -0.169
82 HA SER 14 HA SER 14 -4.045 -2.010 -3.053
83 HB2 SER 14 HB2 SER 14 -1.717 -1.729 -2.917
84 HB3 SER 14 HB1 SER 14 -2.321 -0.931 -1.464
85 HG SER 14 HG SER 14 -1.134 -3.492 -1.686
86 H TRP 15 HN TRP 15 -2.301 -3.592 -4.082
87 HA TRP 15 HA TRP 15 -3.171 -6.312 -3.372
88 HB2 TRP 15 HB2 TRP 15 -3.885 -5.978 -5.563
89 HB3 TRP 15 HB1 TRP 15 -2.489 -4.991 -5.976
90 HD1 TRP 15 HD1 TRP 15 -0.500 -6.175 -7.136
91 HE1 TRP 15 HE1 TRP 15 0.006 -8.602 -7.825
92 HE3 TRP 15 HE3 TRP 15 -4.340 -8.528 -4.714
93 HZ2 TRP 15 HZ2 TRP 15 -1.079 -11.168 -7.396
94 HZ3 TRP 15 HZ3 TRP 15 -4.536 -10.971 -4.909
95 HH2 TRP 15 HH2 TRP 15 -2.937 -12.264 -6.223
96 H SER 16 HN SER 16 -1.563 -8.047 -3.739
97 HA SER 16 HA SER 16 1.207 -7.206 -3.626
98 HB2 SER 16 HB2 SER 16 1.182 -9.147 -1.672
99 HB3 SER 16 HB1 SER 16 1.251 -7.410 -1.381
100 HG SER 16 HG SER 16 -0.690 -9.131 -0.750
101 H ALA 17 HN ALA 17 2.665 -8.725 -4.370
102 HA ALA 17 HA ALA 17 1.452 -11.055 -5.678
103 HB1 ALA 17 HB1 ALA 17 3.948 -9.481 -6.228
104 HB2 ALA 17 HB2 ALA 17 2.555 -9.749 -7.277
105 HB3 ALA 17 HB3 ALA 17 3.672 -11.071 -6.941
106 H ASP 18 HN ASP 18 3.529 -10.182 -3.101
107 HA ASP 18 HA ASP 18 5.299 -12.299 -2.928
108 HB2 ASP 18 HB2 ASP 18 3.922 -10.672 -0.799
109 HB3 ASP 18 HB1 ASP 18 5.105 -11.914 -0.398
110 H LEU 19 HN LEU 19 1.880 -12.209 -2.208
111 HA LEU 19 HA LEU 19 1.872 -15.106 -1.979
112 HB2 LEU 19 HB2 LEU 19 0.206 -14.692 0.046
113 HB3 LEU 19 HB1 LEU 19 1.930 -14.910 0.281
114 HG LEU 19 HG LEU 19 2.156 -12.403 0.294
115 HD11 LEU 19 HD11 LEU 19 -0.760 -12.657 -0.095
116 HD12 LEU 19 HD12 LEU 19 0.352 -11.396 -0.624
117 HD13 LEU 19 HD13 LEU 19 -0.216 -11.426 1.045
118 HD21 LEU 19 HD21 LEU 19 2.043 -13.861 2.332
119 HD22 LEU 19 HD22 LEU 19 0.327 -13.470 2.434
120 HD23 LEU 19 HD23 LEU 19 1.532 -12.191 2.580
121 H ASP 20 HN ASP 20 0.855 -12.908 -3.774
122 HA ASP 20 HA ASP 20 -1.028 -12.310 -4.921
123 HB2 ASP 20 HB2 ASP 20 -0.842 -15.188 -4.765
124 HB3 ASP 20 HB1 ASP 20 -2.526 -14.690 -4.899
125 H LYS 21 HN LYS 21 -1.827 -10.884 -3.298
126 HA LYS 21 HA LYS 21 -4.509 -11.340 -2.603
127 HB2 LYS 21 HB2 LYS 21 -2.629 -12.386 -0.732
128 HB3 LYS 21 HB1 LYS 21 -3.408 -10.994 0.006
129 HG2 LYS 21 HG2 LYS 21 -5.090 -13.045 -1.348
130 HG3 LYS 21 HG1 LYS 21 -4.425 -13.387 0.251
131 HD2 LYS 21 HD2 LYS 21 -5.381 -11.041 0.851
132 HD3 LYS 21 HD1 LYS 21 -6.384 -11.285 -0.580
133 HE2 LYS 21 HE2 LYS 21 -6.957 -13.562 0.470
134 HE3 LYS 21 HE1 LYS 21 -6.302 -12.881 1.958
135 HZ1 LYS 21 HZ1 LYS 21 -8.860 -12.606 1.045
136 HZ2 LYS 21 HZ2 LYS 21 -8.152 -11.113 0.684
137 HZ3 LYS 21 HZ3 LYS 21 -8.138 -11.693 2.273
138 H CYS 22 HN CYS 22 -5.234 -9.577 -0.921
139 HA CYS 22 HA CYS 22 -3.799 -7.106 -1.634
140 HB2 CYS 22 HB2 CYS 22 -5.957 -5.946 -1.378
141 HB3 CYS 22 HB1 CYS 22 -6.043 -7.214 -2.595
142 H MET 23 HN MET 23 -3.377 -5.581 -0.059
143 HA MET 23 HA MET 23 -4.047 -6.293 2.687
144 HB2 MET 23 HB2 MET 23 -1.561 -6.665 1.736
145 HB3 MET 23 HB1 MET 23 -1.434 -4.982 2.227
146 HG2 MET 23 HG2 MET 23 -0.897 -5.803 4.223
147 HG3 MET 23 HG1 MET 23 -2.626 -6.099 4.402
148 HE1 MET 23 HE1 MET 23 -0.871 -9.139 6.049
149 HE2 MET 23 HE2 MET 23 -1.074 -7.395 6.220
150 HE3 MET 23 HE3 MET 23 0.401 -8.045 5.503
151 H ASP 24 HN ASP 24 -4.937 -4.693 3.818
152 HA ASP 24 HA ASP 24 -5.573 -2.222 2.667
153 HB2 ASP 24 HB2 ASP 24 -6.325 -1.575 4.932
154 HB3 ASP 24 HB1 ASP 24 -6.900 -3.176 4.473
155 H CYS 25 HN CYS 25 -4.878 -0.104 3.164
156 HA CYS 25 HA CYS 25 -2.109 0.271 3.194
157 HB2 CYS 25 HB2 CYS 25 -4.497 1.987 3.297
158 HB3 CYS 25 HB1 CYS 25 -3.063 2.694 4.033
159 H ALA 26 HN ALA 26 -4.424 0.083 5.793
160 HA ALA 26 HA ALA 26 -2.686 1.177 7.795
161 HB1 ALA 26 HB1 ALA 26 -4.395 0.480 9.379
162 HB2 ALA 26 HB2 ALA 26 -5.198 -0.460 8.121
163 HB3 ALA 26 HB3 ALA 26 -5.125 1.298 7.998
164 H SER 27 HN SER 27 -0.903 -0.342 6.975
165 HA SER 27 HA SER 27 -0.376 -2.254 8.961
166 HB2 SER 27 HB2 SER 27 -1.615 -3.267 6.451
167 HB3 SER 27 HB1 SER 27 -0.277 -4.196 7.127
168 HG SER 27 HG SER 27 -1.805 -5.008 8.332
169 H CYS 28 HN CYS 28 0.912 -0.058 7.627
170 HA CYS 28 HA CYS 28 3.476 -1.215 7.223
171 HB2 CYS 28 HB2 CYS 28 1.981 -1.275 4.972
172 HB3 CYS 28 HB1 CYS 28 2.699 0.324 4.822
173 H ARG 29 HN ARG 29 2.394 0.690 8.983
174 HA ARG 29 HA ARG 29 3.597 3.211 8.067
175 HB2 ARG 29 HB2 ARG 29 1.866 2.872 10.509
176 HB3 ARG 29 HB1 ARG 29 2.249 4.355 9.644
177 HG2 ARG 29 HG2 ARG 29 0.875 3.710 7.795
178 HG3 ARG 29 HG1 ARG 29 0.616 2.108 8.488
179 HD2 ARG 29 HD2 ARG 29 -1.264 2.987 9.329
180 HD3 ARG 29 HD1 ARG 29 -0.202 3.740 10.518
181 HE ARG 29 HE ARG 29 -0.534 5.283 8.114
182 HH11 ARG 29 HH11 ARG 29 -1.844 4.583 11.271
183 HH12 ARG 29 HH12 ARG 29 -2.668 6.100 11.404
184 HH21 ARG 29 HH21 ARG 29 -1.616 7.279 8.286
185 HH22 ARG 29 HH22 ARG 29 -2.539 7.631 9.709
186 H ALA 30 HN ALA 30 5.324 1.157 8.804
187 HA ALA 30 HA ALA 30 6.850 2.459 10.832
188 HB1 ALA 30 HB1 ALA 30 6.902 0.234 12.225
189 HB2 ALA 30 HB2 ALA 30 5.294 0.021 11.534
190 HB3 ALA 30 HB3 ALA 30 5.655 1.449 12.503
191 H ARG 31 HN ARG 31 6.346 -0.500 8.939
192 HA ARG 31 HA ARG 31 9.216 -0.489 8.336
193 HB2 ARG 31 HB2 ARG 31 7.652 -2.936 9.169
194 HB3 ARG 31 HB1 ARG 31 9.307 -2.944 8.576
195 HG2 ARG 31 HG2 ARG 31 9.757 -2.957 10.787
196 HG3 ARG 31 HG1 ARG 31 9.598 -1.212 10.582
197 HD2 ARG 31 HD2 ARG 31 8.164 -1.430 12.315
198 HD3 ARG 31 HD1 ARG 31 7.031 -1.850 11.032
199 HE ARG 31 HE ARG 31 8.468 -4.102 12.095
200 HH11 ARG 31 HH11 ARG 31 5.664 -2.058 12.469
201 HH12 ARG 31 HH12 ARG 31 4.754 -3.252 13.331
202 HH21 ARG 31 HH21 ARG 31 7.272 -5.673 13.229
203 HH22 ARG 31 HH22 ARG 31 5.667 -5.304 13.763
204 HA PRO 32 HA PRO 32 6.969 -0.971 4.397
205 HB2 PRO 32 HB2 PRO 32 8.714 0.390 2.879
206 HB3 PRO 32 HB1 PRO 32 7.557 1.219 3.928
207 HG2 PRO 32 HG2 PRO 32 10.460 0.650 4.388
208 HG3 PRO 32 HG1 PRO 32 9.547 2.135 4.714
209 HD2 PRO 32 HD2 PRO 32 10.164 0.279 6.629
210 HD3 PRO 32 HD1 PRO 32 8.754 1.351 6.715
211 H HIS 33 HN HIS 33 7.270 -3.161 4.071
212 HA HIS 33 HA HIS 33 9.486 -3.899 2.386
213 HB2 HIS 33 HB2 HIS 33 10.272 -5.750 3.783
214 HB3 HIS 33 HB1 HIS 33 10.472 -4.211 4.615
215 HD1 HIS 33 HD1 HIS 33 10.544 -6.357 6.525
216 HD2 HIS 33 HD2 HIS 33 6.897 -4.937 5.128
217 HE1 HIS 33 HE1 HIS 33 8.849 -7.048 8.249
218 HE2 HIS 33 HE2 HIS 33 6.664 -6.103 7.425
219 H SER 34 HN SER 34 7.170 -3.873 1.357
220 HA SER 34 HA SER 34 6.515 -6.574 0.805
221 HB2 SER 34 HB2 SER 34 3.981 -5.990 1.509
222 HB3 SER 34 HB1 SER 34 5.106 -6.823 2.581
223 HG SER 34 HG SER 34 5.508 -4.910 3.630
224 H ASP 35 HN ASP 35 5.336 -6.793 -1.069
225 HA ASP 35 HA ASP 35 5.428 -4.780 -2.957
226 HB2 ASP 35 HB2 ASP 35 4.173 -7.424 -2.749
227 HB3 ASP 35 HB1 ASP 35 3.342 -6.331 -3.852
228 H PHE 36 HN PHE 36 2.685 -5.757 -0.926
229 HA PHE 36 HA PHE 36 0.803 -3.985 -2.010
230 HB2 PHE 36 HB2 PHE 36 -0.505 -4.390 -0.008
231 HB3 PHE 36 HB1 PHE 36 0.233 -5.896 -0.542
232 HD1 PHE 36 HD2 PHE 36 0.756 -3.076 1.832
233 HD2 PHE 36 HD1 PHE 36 1.409 -7.192 0.966
234 HE1 PHE 36 HE2 PHE 36 1.713 -3.393 4.076
235 HE2 PHE 36 HE1 PHE 36 2.365 -7.516 3.210
236 HZ PHE 36 HZ PHE 36 2.518 -5.615 4.768
237 H CYS 37 HN CYS 37 3.506 -3.411 0.016
238 HA CYS 37 HA CYS 37 2.516 -0.958 1.155
239 HB2 CYS 37 HB2 CYS 37 4.342 -2.593 2.082
240 HB3 CYS 37 HB1 CYS 37 5.425 -1.677 1.041
241 H LEU 38 HN LEU 38 4.604 -1.909 -1.518
242 HA LEU 38 HA LEU 38 5.613 0.598 -2.211
243 HB2 LEU 38 HB2 LEU 38 5.943 -1.901 -3.165
244 HB3 LEU 38 HB1 LEU 38 4.917 -1.240 -4.422
245 HG LEU 38 HG LEU 38 7.445 0.136 -3.544
246 HD11 LEU 38 HD11 LEU 38 8.184 -2.008 -4.240
247 HD12 LEU 38 HD12 LEU 38 8.456 -0.908 -5.592
248 HD13 LEU 38 HD13 LEU 38 7.082 -2.014 -5.617
249 HD21 LEU 38 HD21 LEU 38 5.423 0.488 -5.670
250 HD22 LEU 38 HD22 LEU 38 7.106 0.750 -6.125
251 HD23 LEU 38 HD23 LEU 38 6.392 1.686 -4.813
252 H GLY 39 HN GLY 39 2.492 -0.851 -2.779
253 HA2 GLY 39 HA2 GLY 39 1.676 1.097 -4.741
254 HA3 GLY 39 HA1 GLY 39 0.654 -0.116 -3.984
255 H CYS 40 HN CYS 40 1.081 0.559 -1.289
256 HA CYS 40 HA CYS 40 -0.759 2.713 -1.023
257 HB2 CYS 40 HB2 CYS 40 -0.678 0.817 0.557
258 HB3 CYS 40 HB1 CYS 40 0.911 1.346 1.098
259 H ALA 41 HN ALA 41 2.714 2.365 -0.442
260 HA ALA 41 HA ALA 41 3.146 4.905 0.681
261 HB1 ALA 41 HB1 ALA 41 5.324 4.321 0.739
262 HB2 ALA 41 HB2 ALA 41 5.330 3.768 -0.936
263 HB3 ALA 41 HB3 ALA 41 4.688 2.727 0.334
264 H ALA 42 HN ALA 42 3.019 6.852 -0.204
265 HA ALA 42 HA ALA 42 3.569 7.145 -3.078
266 HB1 ALA 42 HB1 ALA 42 1.488 8.881 -1.861
267 HB2 ALA 42 HB2 ALA 42 1.058 7.214 -2.246
268 HB3 ALA 42 HB3 ALA 42 1.644 8.289 -3.516
269 H ALA 43 HN ALA 43 3.203 8.827 0.028
270 HA ALA 43 HA ALA 43 5.303 10.704 -0.843
271 HB1 ALA 43 HB1 ALA 43 3.062 11.366 1.057
272 HB2 ALA 43 HB2 ALA 43 3.033 11.732 -0.668
273 HB3 ALA 43 HB3 ALA 43 4.252 12.471 0.371
274 HA PRO 44 HA PRO 44 7.126 8.565 2.751
275 HB2 PRO 44 HB2 PRO 44 9.680 9.355 2.210
276 HB3 PRO 44 HB1 PRO 44 8.915 7.953 1.455
277 HG2 PRO 44 HG2 PRO 44 9.269 10.724 0.383
278 HG3 PRO 44 HG1 PRO 44 9.484 9.169 -0.442
279 HD2 PRO 44 HD2 PRO 44 7.264 10.670 -0.759
280 HD3 PRO 44 HD1 PRO 44 7.216 8.895 -0.788
281 HA PRO 45 HA PRO 45 7.316 12.085 5.439
282 HB2 PRO 45 HB2 PRO 45 8.558 10.984 7.571
283 HB3 PRO 45 HB1 PRO 45 6.889 10.592 7.142
284 HG2 PRO 45 HG2 PRO 45 9.398 9.057 6.585
285 HG3 PRO 45 HG1 PRO 45 7.823 8.462 7.140
286 HD2 PRO 45 HD2 PRO 45 8.634 8.308 4.551
287 HD3 PRO 45 HD1 PRO 45 6.931 8.478 5.020
288 H ALA 46 HN ALA 46 8.845 13.470 6.603
289 HA ALA 46 HA ALA 46 11.577 13.269 5.511
290 HB1 ALA 46 HB1 ALA 46 9.682 15.532 5.617
291 HB2 ALA 46 HB2 ALA 46 10.937 15.154 4.437
292 HB3 ALA 46 HB3 ALA 46 11.369 15.902 5.975
293 HA PRO 47 HA PRO 47 13.115 13.412 9.640
294 HB2 PRO 47 HB2 PRO 47 15.458 14.739 9.318
295 HB3 PRO 47 HB1 PRO 47 15.212 13.081 8.756
296 HG2 PRO 47 HG2 PRO 47 15.102 15.641 7.208
297 HG3 PRO 47 HG1 PRO 47 15.850 14.096 6.764
298 HD2 PRO 47 HD2 PRO 47 13.431 14.871 5.822
299 HD3 PRO 47 HD1 PRO 47 13.845 13.169 6.109
300 H PHE 48 HN PHE 48 14.174 15.026 11.251
301 HA PHE 48 HA PHE 48 12.363 17.201 11.569
302 HB2 PHE 48 HB2 PHE 48 13.837 15.733 13.298
303 HB3 PHE 48 HB1 PHE 48 14.841 17.175 13.190
304 HD1 PHE 48 HD1 PHE 48 11.177 16.472 13.394
305 HD2 PHE 48 HD2 PHE 48 14.507 18.651 14.901
306 HE1 PHE 48 HE1 PHE 48 9.699 17.617 14.994
307 HE2 PHE 48 HE2 PHE 48 13.036 19.800 16.504
308 HZ PHE 48 HZ PHE 48 10.629 19.283 16.552
309 H ARG 49 HN ARG 49 13.840 19.276 12.572
310 HA ARG 49 HA ARG 49 14.908 21.187 11.957
311 HB2 ARG 49 HB2 ARG 49 16.676 19.130 11.423
312 HB3 ARG 49 HB1 ARG 49 16.639 20.021 9.907
313 HG2 ARG 49 HG2 ARG 49 17.143 22.093 11.183
314 HG3 ARG 49 HG1 ARG 49 17.327 21.101 12.631
315 HD2 ARG 49 HD2 ARG 49 19.034 19.763 11.285
316 HD3 ARG 49 HD1 ARG 49 18.999 21.099 10.135
317 HE ARG 49 HE ARG 49 19.470 22.336 12.489
318 HH11 ARG 49 HH11 ARG 49 20.983 19.634 10.880
319 HH12 ARG 49 HH12 ARG 49 22.545 19.941 11.560
320 HH21 ARG 49 HH21 ARG 49 21.527 22.742 13.385
321 HH22 ARG 49 HH22 ARG 49 22.855 21.705 12.982
322 H LEU 50 HN LEU 50 15.870 22.203 9.637
323 HA LEU 50 HA LEU 50 13.565 22.907 8.225
324 HB2 LEU 50 HB2 LEU 50 16.145 23.807 8.323
325 HB3 LEU 50 HB1 LEU 50 16.078 23.111 6.716
326 HG LEU 50 HG LEU 50 13.852 24.547 6.568
327 HD11 LEU 50 HD11 LEU 50 15.467 25.839 8.742
328 HD12 LEU 50 HD12 LEU 50 13.742 25.469 8.715
329 HD13 LEU 50 HD13 LEU 50 14.383 26.769 7.710
330 HD21 LEU 50 HD21 LEU 50 16.692 25.162 6.028
331 HD22 LEU 50 HD22 LEU 50 15.557 26.508 5.932
332 HD23 LEU 50 HD23 LEU 50 15.316 25.079 4.927
333 H LEU 51 HN LEU 51 13.079 22.533 5.942
334 HA LEU 51 HA LEU 51 13.680 19.755 5.190
335 HB2 LEU 51 HB2 LEU 51 11.626 20.161 3.637
336 HB3 LEU 51 HB1 LEU 51 11.395 19.792 5.333
337 HG LEU 51 HG LEU 51 9.925 21.603 4.393
338 HD11 LEU 51 HD11 LEU 51 10.994 23.191 6.422
339 HD12 LEU 51 HD12 LEU 51 11.380 21.530 6.871
340 HD13 LEU 51 HD13 LEU 51 9.708 21.994 6.560
341 HD21 LEU 51 HD21 LEU 51 11.006 23.876 4.300
342 HD22 LEU 51 HD22 LEU 51 11.385 22.791 2.964
343 HD23 LEU 51 HD23 LEU 51 12.560 23.046 4.252
344 H TRP 52 HN TRP 52 13.523 19.387 2.736
345 HA TRP 52 HA TRP 52 14.671 21.616 1.228
346 HB2 TRP 52 HB2 TRP 52 16.288 19.653 2.281
347 HB3 TRP 52 HB1 TRP 52 15.987 19.058 0.652
348 HD1 TRP 52 HD1 TRP 52 18.269 21.250 2.487
349 HE1 TRP 52 HE1 TRP 52 19.604 22.753 0.879
350 HE3 TRP 52 HE3 TRP 52 15.517 20.536 -1.761
351 HZ2 TRP 52 HZ2 TRP 52 19.503 23.532 -1.833
352 HZ3 TRP 52 HZ3 TRP 52 16.203 21.697 -3.820
353 HH2 TRP 52 HH2 TRP 52 18.155 23.163 -3.853
354 HA PRO 53 HA PRO 53 11.463 19.040 -1.058
355 HB2 PRO 53 HB2 PRO 53 9.806 21.114 -1.650
356 HB3 PRO 53 HB1 PRO 53 9.667 20.159 -0.169
357 HG2 PRO 53 HG2 PRO 53 10.955 22.829 -0.587
358 HG3 PRO 53 HG1 PRO 53 9.911 22.286 0.740
359 HD2 PRO 53 HD2 PRO 53 12.600 22.413 0.974
360 HD3 PRO 53 HD1 PRO 53 11.631 21.180 1.809
Start of MODEL 10
1 H1 GLU 1 HT1 GLU 1 -5.835 -9.569 -7.663
2 H2 GLU 1 HT2 GLU 1 -6.248 -8.517 -8.957
3 H3 GLU 1 HT3 GLU 1 -5.387 -9.969 -9.269
4 HA GLU 1 HA GLU 1 -8.185 -9.600 -8.492
5 HB2 GLU 1 HB2 GLU 1 -6.890 -11.280 -10.643
6 HB3 GLU 1 HB1 GLU 1 -8.591 -10.859 -10.496
7 HG2 GLU 1 HG2 GLU 1 -8.120 -9.269 -11.983
8 HG3 GLU 1 HG1 GLU 1 -7.432 -8.402 -10.611
9 H GLN 2 HN GLN 2 -5.484 -11.880 -8.550
10 HA GLN 2 HA GLN 2 -5.090 -13.791 -7.382
11 HB2 GLN 2 HB2 GLN 2 -6.211 -12.376 -5.528
12 HB3 GLN 2 HB1 GLN 2 -7.628 -13.373 -5.826
13 HG2 GLN 2 HG2 GLN 2 -5.775 -15.292 -5.555
14 HG3 GLN 2 HG1 GLN 2 -5.072 -14.045 -4.526
15 HE21 GLN 2 HE21 GLN 2 -6.951 -12.917 -3.189
16 HE22 GLN 2 HE22 GLN 2 -7.934 -14.031 -2.307
17 H ALA 3 HN ALA 3 -8.655 -13.658 -7.486
18 HA ALA 3 HA ALA 3 -8.959 -15.483 -9.596
19 HB1 ALA 3 HB1 ALA 3 -9.054 -17.539 -8.681
20 HB2 ALA 3 HB2 ALA 3 -9.757 -16.951 -7.174
21 HB3 ALA 3 HB3 ALA 3 -8.020 -16.820 -7.447
22 HA PRO 4 HA PRO 4 -13.137 -14.131 -9.225
23 HB2 PRO 4 HB2 PRO 4 -14.558 -16.227 -10.188
24 HB3 PRO 4 HB1 PRO 4 -13.563 -15.194 -11.221
25 HG2 PRO 4 HG2 PRO 4 -12.935 -17.884 -10.066
26 HG3 PRO 4 HG1 PRO 4 -12.633 -17.272 -11.702
27 HD2 PRO 4 HD2 PRO 4 -10.704 -17.381 -9.801
28 HD3 PRO 4 HD1 PRO 4 -10.736 -16.131 -11.061
29 H GLY 5 HN GLY 5 -13.617 -13.901 -7.067
30 HA2 GLY 5 HA2 GLY 5 -15.064 -16.150 -5.854
31 HA3 GLY 5 HA1 GLY 5 -13.761 -15.400 -4.945
32 H THR 6 HN THR 6 -15.586 -13.312 -6.969
33 HA THR 6 HA THR 6 -17.059 -11.633 -6.546
34 HB THR 6 HB THR 6 -18.044 -12.976 -4.067
35 HG1 THR 6 HG1 THR 6 -19.171 -14.472 -5.338
36 HG21 THR 6 HG21 THR 6 -19.062 -10.898 -5.255
37 HG22 THR 6 HG22 THR 6 -20.111 -12.171 -4.632
38 HG23 THR 6 HG23 THR 6 -19.736 -12.103 -6.353
39 H ALA 7 HN ALA 7 -16.891 -9.683 -5.586
40 HA ALA 7 HA ALA 7 -16.073 -8.026 -4.259
41 HB1 ALA 7 HB1 ALA 7 -15.965 -8.605 -1.769
42 HB2 ALA 7 HB2 ALA 7 -16.598 -10.182 -2.240
43 HB3 ALA 7 HB3 ALA 7 -17.533 -8.723 -2.571
44 HA PRO 8 HA PRO 8 -11.797 -9.945 -4.497
45 HB2 PRO 8 HB2 PRO 8 -11.293 -7.686 -6.313
46 HB3 PRO 8 HB1 PRO 8 -10.996 -9.409 -6.558
47 HG2 PRO 8 HG2 PRO 8 -12.950 -8.108 -7.866
48 HG3 PRO 8 HG1 PRO 8 -13.125 -9.798 -7.357
49 HD2 PRO 8 HD2 PRO 8 -14.221 -7.313 -6.089
50 HD3 PRO 8 HD1 PRO 8 -15.006 -8.886 -6.345
51 H CYS 9 HN CYS 9 -12.391 -8.738 -2.263
52 HA CYS 9 HA CYS 9 -11.731 -7.301 -0.624
53 HB2 CYS 9 HB2 CYS 9 -9.223 -7.270 -2.314
54 HB3 CYS 9 HB1 CYS 9 -9.328 -6.684 -0.657
55 H SER 10 HN SER 10 -13.318 -6.060 -2.512
56 HA SER 10 HA SER 10 -12.254 -3.704 -3.613
57 HB2 SER 10 HB2 SER 10 -14.649 -4.952 -3.796
58 HB3 SER 10 HB1 SER 10 -15.075 -3.621 -2.721
59 HG SER 10 HG SER 10 -15.314 -2.733 -4.669
60 H ARG 11 HN ARG 11 -11.165 -2.284 -2.392
61 HA ARG 11 HA ARG 11 -12.501 -0.618 -0.565
62 HB2 ARG 11 HB2 ARG 11 -11.070 -1.262 1.462
63 HB3 ARG 11 HB1 ARG 11 -12.442 -2.292 1.077
64 HG2 ARG 11 HG2 ARG 11 -11.046 -3.968 0.163
65 HG3 ARG 11 HG1 ARG 11 -9.644 -2.897 0.165
66 HD2 ARG 11 HD2 ARG 11 -9.142 -3.940 2.091
67 HD3 ARG 11 HD1 ARG 11 -10.334 -2.842 2.783
68 HE ARG 11 HE ARG 11 -11.752 -5.040 1.931
69 HH11 ARG 11 HH11 ARG 11 -9.141 -4.436 4.167
70 HH12 ARG 11 HH12 ARG 11 -9.566 -5.750 5.213
71 HH21 ARG 11 HH21 ARG 11 -12.313 -6.768 3.305
72 HH22 ARG 11 HH22 ARG 11 -11.365 -7.075 4.722
73 H GLY 12 HN GLY 12 -10.652 0.575 0.863
74 HA2 GLY 12 HA2 GLY 12 -8.992 1.839 -1.084
75 HA3 GLY 12 HA1 GLY 12 -9.016 2.180 0.638
76 H SER 13 HN SER 13 -8.544 -1.016 0.607
77 HA SER 13 HA SER 13 -5.885 -0.928 1.420
78 HB2 SER 13 HB2 SER 13 -5.931 -3.329 1.374
79 HB3 SER 13 HB1 SER 13 -7.536 -2.784 1.857
80 HG SER 13 HG SER 13 -6.733 -3.645 -0.725
81 H SER 14 HN SER 14 -4.504 -2.903 0.070
82 HA SER 14 HA SER 14 -4.325 -2.073 -2.697
83 HB2 SER 14 HB2 SER 14 -2.471 -1.222 -0.646
84 HB3 SER 14 HB1 SER 14 -1.645 -2.163 -1.887
85 HG SER 14 HG SER 14 -1.735 -0.422 -3.044
86 H TRP 15 HN TRP 15 -3.935 -3.730 -4.008
87 HA TRP 15 HA TRP 15 -3.878 -6.369 -3.148
88 HB2 TRP 15 HB2 TRP 15 -4.547 -6.112 -5.358
89 HB3 TRP 15 HB1 TRP 15 -3.243 -4.995 -5.733
90 HD1 TRP 15 HD1 TRP 15 -1.090 -5.985 -6.801
91 HE1 TRP 15 HE1 TRP 15 -0.357 -8.348 -7.505
92 HE3 TRP 15 HE3 TRP 15 -4.829 -8.690 -4.599
93 HZ2 TRP 15 HZ2 TRP 15 -1.245 -11.002 -7.167
94 HZ3 TRP 15 HZ3 TRP 15 -4.815 -11.136 -4.841
95 HH2 TRP 15 HH2 TRP 15 -3.059 -12.268 -6.102
96 H SER 16 HN SER 16 -2.124 -7.983 -3.502
97 HA SER 16 HA SER 16 0.545 -6.882 -3.119
98 HB2 SER 16 HB2 SER 16 -0.315 -9.260 -1.511
99 HB3 SER 16 HB1 SER 16 0.997 -8.125 -1.198
100 HG SER 16 HG SER 16 -1.787 -7.650 -0.942
101 H ALA 17 HN ALA 17 2.049 -7.836 -4.345
102 HA ALA 17 HA ALA 17 1.268 -10.209 -5.865
103 HB1 ALA 17 HB1 ALA 17 3.605 -9.519 -6.976
104 HB2 ALA 17 HB2 ALA 17 3.128 -7.958 -6.309
105 HB3 ALA 17 HB3 ALA 17 2.065 -8.795 -7.439
106 H ASP 18 HN ASP 18 3.362 -9.241 -3.304
107 HA ASP 18 HA ASP 18 5.444 -11.056 -3.478
108 HB2 ASP 18 HB2 ASP 18 5.174 -9.195 -1.792
109 HB3 ASP 18 HB1 ASP 18 4.089 -10.257 -0.900
110 H LEU 19 HN LEU 19 2.149 -11.537 -2.362
111 HA LEU 19 HA LEU 19 2.585 -14.421 -2.456
112 HB2 LEU 19 HB2 LEU 19 1.224 -14.642 -0.324
113 HB3 LEU 19 HB1 LEU 19 2.886 -14.111 -0.152
114 HG LEU 19 HG LEU 19 1.081 -11.854 -0.411
115 HD11 LEU 19 HD11 LEU 19 -0.567 -13.267 0.617
116 HD12 LEU 19 HD12 LEU 19 0.033 -12.123 1.818
117 HD13 LEU 19 HD13 LEU 19 0.589 -13.796 1.839
118 HD21 LEU 19 HD21 LEU 19 2.224 -11.623 2.010
119 HD22 LEU 19 HD22 LEU 19 3.038 -11.201 0.504
120 HD23 LEU 19 HD23 LEU 19 3.335 -12.767 1.258
121 H ASP 20 HN ASP 20 1.112 -12.257 -3.968
122 HA ASP 20 HA ASP 20 -0.931 -11.856 -4.915
123 HB2 ASP 20 HB2 ASP 20 -0.572 -14.818 -4.869
124 HB3 ASP 20 HB1 ASP 20 -2.121 -14.175 -5.408
125 H LYS 21 HN LYS 21 -1.740 -10.803 -2.985
126 HA LYS 21 HA LYS 21 -4.284 -11.755 -2.235
127 HB2 LYS 21 HB2 LYS 21 -2.018 -12.389 -0.438
128 HB3 LYS 21 HB1 LYS 21 -3.454 -11.732 0.335
129 HG2 LYS 21 HG2 LYS 21 -4.303 -13.728 -1.483
130 HG3 LYS 21 HG1 LYS 21 -2.957 -14.386 -0.550
131 HD2 LYS 21 HD2 LYS 21 -4.468 -13.094 1.357
132 HD3 LYS 21 HD1 LYS 21 -5.686 -13.769 0.275
133 HE2 LYS 21 HE2 LYS 21 -3.837 -15.815 0.589
134 HE3 LYS 21 HE1 LYS 21 -3.966 -15.098 2.195
135 HZ1 LYS 21 HZ1 LYS 21 -6.463 -15.278 1.833
136 HZ2 LYS 21 HZ2 LYS 21 -5.622 -16.715 2.129
137 HZ3 LYS 21 HZ3 LYS 21 -6.098 -16.323 0.554
138 H CYS 22 HN CYS 22 -5.520 -10.136 -1.393
139 HA CYS 22 HA CYS 22 -4.552 -7.487 -1.564
140 HB2 CYS 22 HB2 CYS 22 -6.756 -6.821 -0.760
141 HB3 CYS 22 HB1 CYS 22 -6.910 -8.096 -1.963
142 H MET 23 HN MET 23 -4.565 -5.878 0.161
143 HA MET 23 HA MET 23 -4.538 -6.631 2.892
144 HB2 MET 23 HB2 MET 23 -2.128 -7.106 1.485
145 HB3 MET 23 HB1 MET 23 -1.852 -5.701 2.504
146 HG2 MET 23 HG2 MET 23 -2.023 -6.882 4.427
147 HG3 MET 23 HG1 MET 23 -3.193 -8.019 3.757
148 HE1 MET 23 HE1 MET 23 -0.980 -9.567 5.535
149 HE2 MET 23 HE2 MET 23 -0.344 -7.923 5.487
150 HE3 MET 23 HE3 MET 23 0.664 -9.273 4.968
151 H ASP 24 HN ASP 24 -4.742 -4.877 4.187
152 HA ASP 24 HA ASP 24 -5.378 -2.394 3.074
153 HB2 ASP 24 HB2 ASP 24 -5.567 -3.574 5.585
154 HB3 ASP 24 HB1 ASP 24 -4.501 -2.197 5.845
155 H CYS 25 HN CYS 25 -4.332 -0.307 3.509
156 HA CYS 25 HA CYS 25 -1.521 -0.450 2.845
157 HB2 CYS 25 HB2 CYS 25 -3.190 2.030 3.269
158 HB3 CYS 25 HB1 CYS 25 -1.675 1.898 2.383
159 H ALA 26 HN ALA 26 -3.521 0.432 5.572
160 HA ALA 26 HA ALA 26 -1.354 1.616 7.061
161 HB1 ALA 26 HB1 ALA 26 -2.932 2.319 8.513
162 HB2 ALA 26 HB2 ALA 26 -3.781 0.773 8.504
163 HB3 ALA 26 HB3 ALA 26 -4.027 1.922 7.189
164 H SER 27 HN SER 27 0.243 0.120 7.390
165 HA SER 27 HA SER 27 0.080 -1.601 9.564
166 HB2 SER 27 HB2 SER 27 -1.238 -2.772 7.461
167 HB3 SER 27 HB1 SER 27 0.379 -3.453 7.300
168 HG SER 27 HG SER 27 -1.361 -4.414 8.822
169 H CYS 28 HN CYS 28 1.595 -0.880 6.489
170 HA CYS 28 HA CYS 28 4.109 -2.057 7.210
171 HB2 CYS 28 HB2 CYS 28 2.963 -0.721 4.841
172 HB3 CYS 28 HB1 CYS 28 4.696 -0.511 5.059
173 H ARG 29 HN ARG 29 3.576 -0.414 9.240
174 HA ARG 29 HA ARG 29 4.671 2.215 8.841
175 HB2 ARG 29 HB2 ARG 29 2.945 1.288 10.643
176 HB3 ARG 29 HB1 ARG 29 4.421 1.035 11.565
177 HG2 ARG 29 HG2 ARG 29 4.979 3.434 11.207
178 HG3 ARG 29 HG1 ARG 29 3.393 3.637 10.458
179 HD2 ARG 29 HD2 ARG 29 2.303 3.540 12.433
180 HD3 ARG 29 HD1 ARG 29 3.397 2.325 13.095
181 HE ARG 29 HE ARG 29 4.920 4.556 13.042
182 HH11 ARG 29 HH11 ARG 29 1.746 3.873 14.325
183 HH12 ARG 29 HH12 ARG 29 1.877 5.034 15.604
184 HH21 ARG 29 HH21 ARG 29 5.093 6.082 14.725
185 HH22 ARG 29 HH22 ARG 29 3.776 6.287 15.832
186 H ALA 30 HN ALA 30 6.068 -0.771 8.993
187 HA ALA 30 HA ALA 30 8.691 0.138 9.099
188 HB1 ALA 30 HB1 ALA 30 9.353 -0.844 11.339
189 HB2 ALA 30 HB2 ALA 30 7.636 -0.827 11.745
190 HB3 ALA 30 HB3 ALA 30 8.473 0.684 11.384
191 H ARG 31 HN ARG 31 6.431 -2.476 9.682
192 HA ARG 31 HA ARG 31 8.304 -4.594 9.366
193 HB2 ARG 31 HB2 ARG 31 5.307 -4.655 8.986
194 HB3 ARG 31 HB1 ARG 31 6.355 -6.044 9.243
195 HG2 ARG 31 HG2 ARG 31 5.995 -3.817 11.233
196 HG3 ARG 31 HG1 ARG 31 5.079 -5.326 11.252
197 HD2 ARG 31 HD2 ARG 31 7.625 -6.255 11.094
198 HD3 ARG 31 HD1 ARG 31 7.860 -4.785 12.037
199 HE ARG 31 HE ARG 31 6.553 -7.200 12.884
200 HH11 ARG 31 HH11 ARG 31 6.817 -3.760 13.404
201 HH12 ARG 31 HH12 ARG 31 6.262 -3.838 15.043
202 HH21 ARG 31 HH21 ARG 31 5.822 -7.306 15.038
203 HH22 ARG 31 HH22 ARG 31 5.698 -5.851 15.971
204 HA PRO 32 HA PRO 32 8.429 -4.122 4.878
205 HB2 PRO 32 HB2 PRO 32 10.591 -5.656 4.454
206 HB3 PRO 32 HB1 PRO 32 10.728 -4.040 5.158
207 HG2 PRO 32 HG2 PRO 32 10.764 -6.707 6.516
208 HG3 PRO 32 HG1 PRO 32 11.797 -5.294 6.799
209 HD2 PRO 32 HD2 PRO 32 9.631 -5.929 8.349
210 HD3 PRO 32 HD1 PRO 32 10.246 -4.278 8.144
211 H HIS 33 HN HIS 33 9.214 -6.142 3.229
212 HA HIS 33 HA HIS 33 8.563 -8.060 2.205
213 HB2 HIS 33 HB2 HIS 33 8.298 -8.726 5.067
214 HB3 HIS 33 HB1 HIS 33 7.336 -9.722 3.982
215 HD1 HIS 33 HD1 HIS 33 10.431 -9.834 5.581
216 HD2 HIS 33 HD2 HIS 33 9.239 -10.543 1.663
217 HE1 HIS 33 HE1 HIS 33 12.246 -11.253 4.572
218 HE2 HIS 33 HE2 HIS 33 11.549 -11.587 2.175
219 H SER 34 HN SER 34 6.978 -6.211 1.522
220 HA SER 34 HA SER 34 4.410 -7.434 1.294
221 HB2 SER 34 HB2 SER 34 4.750 -4.963 2.973
222 HB3 SER 34 HB1 SER 34 3.236 -5.282 2.123
223 HG SER 34 HG SER 34 4.485 -6.843 4.128
224 H ASP 35 HN ASP 35 3.375 -6.805 -0.535
225 HA ASP 35 HA ASP 35 4.730 -4.810 -2.162
226 HB2 ASP 35 HB2 ASP 35 3.172 -7.268 -2.766
227 HB3 ASP 35 HB1 ASP 35 3.109 -5.955 -3.939
228 H PHE 36 HN PHE 36 1.865 -5.307 -0.388
229 HA PHE 36 HA PHE 36 0.108 -3.689 -1.933
230 HB2 PHE 36 HB2 PHE 36 -1.269 -3.641 0.168
231 HB3 PHE 36 HB1 PHE 36 -0.861 -5.254 -0.404
232 HD1 PHE 36 HD1 PHE 36 -0.167 -2.709 2.153
233 HD2 PHE 36 HD2 PHE 36 0.513 -6.713 0.883
234 HE1 PHE 36 HE1 PHE 36 0.768 -3.248 4.366
235 HE2 PHE 36 HE2 PHE 36 1.449 -7.259 3.092
236 HZ PHE 36 HZ PHE 36 1.577 -5.526 4.837
237 H CYS 37 HN CYS 37 2.110 -3.054 0.927
238 HA CYS 37 HA CYS 37 1.335 -0.305 1.082
239 HB2 CYS 37 HB2 CYS 37 3.303 -0.155 2.679
240 HB3 CYS 37 HB1 CYS 37 2.034 -1.291 3.120
241 H LEU 38 HN LEU 38 3.713 -2.078 -0.681
242 HA LEU 38 HA LEU 38 5.604 -0.053 -1.138
243 HB2 LEU 38 HB2 LEU 38 6.075 -2.371 -1.650
244 HB3 LEU 38 HB1 LEU 38 4.794 -2.404 -2.847
245 HG LEU 38 HG LEU 38 6.921 -0.392 -3.276
246 HD11 LEU 38 HD11 LEU 38 8.537 -1.917 -2.873
247 HD12 LEU 38 HD12 LEU 38 8.103 -2.466 -4.492
248 HD13 LEU 38 HD13 LEU 38 7.448 -3.290 -3.077
249 HD21 LEU 38 HD21 LEU 38 6.447 -0.744 -5.517
250 HD22 LEU 38 HD22 LEU 38 4.879 -0.990 -4.746
251 HD23 LEU 38 HD23 LEU 38 5.847 -2.380 -5.238
252 H GLY 39 HN GLY 39 2.459 -0.653 -2.503
253 HA2 GLY 39 HA2 GLY 39 2.914 1.358 -4.594
254 HA3 GLY 39 HA1 GLY 39 1.552 0.252 -4.512
255 H CYS 40 HN CYS 40 0.756 0.675 -1.866
256 HA CYS 40 HA CYS 40 -0.824 3.003 -2.158
257 HB2 CYS 40 HB2 CYS 40 -1.016 0.762 -0.641
258 HB3 CYS 40 HB1 CYS 40 -0.481 1.921 0.570
259 H ALA 41 HN ALA 41 2.291 2.427 -0.754
260 HA ALA 41 HA ALA 41 2.496 4.492 1.087
261 HB1 ALA 41 HB1 ALA 41 4.424 2.963 -0.563
262 HB2 ALA 41 HB2 ALA 41 4.335 3.164 1.187
263 HB3 ALA 41 HB3 ALA 41 5.000 4.453 0.185
264 H ALA 42 HN ALA 42 3.787 4.628 -2.240
265 HA ALA 42 HA ALA 42 2.700 7.264 -2.650
266 HB1 ALA 42 HB1 ALA 42 4.551 8.037 -1.442
267 HB2 ALA 42 HB2 ALA 42 5.019 8.218 -3.132
268 HB3 ALA 42 HB3 ALA 42 5.638 6.864 -2.186
269 H ALA 43 HN ALA 43 2.172 7.437 -4.725
270 HA ALA 43 HA ALA 43 3.848 6.708 -6.875
271 HB1 ALA 43 HB1 ALA 43 2.753 4.782 -7.758
272 HB2 ALA 43 HB2 ALA 43 1.505 4.849 -6.514
273 HB3 ALA 43 HB3 ALA 43 3.164 4.436 -6.078
274 HA PRO 44 HA PRO 44 0.332 9.631 -7.752
275 HB2 PRO 44 HB2 PRO 44 1.876 11.584 -8.827
276 HB3 PRO 44 HB1 PRO 44 1.572 11.450 -7.091
277 HG2 PRO 44 HG2 PRO 44 3.954 10.558 -8.670
278 HG3 PRO 44 HG1 PRO 44 3.897 11.390 -7.105
279 HD2 PRO 44 HD2 PRO 44 4.306 8.722 -7.323
280 HD3 PRO 44 HD1 PRO 44 3.451 9.447 -5.948
281 HA PRO 45 HA PRO 45 0.632 7.814 -11.914
282 HB2 PRO 45 HB2 PRO 45 -2.011 8.027 -12.484
283 HB3 PRO 45 HB1 PRO 45 -1.346 6.721 -11.497
284 HG2 PRO 45 HG2 PRO 45 -2.704 9.244 -10.631
285 HG3 PRO 45 HG1 PRO 45 -2.912 7.594 -10.016
286 HD2 PRO 45 HD2 PRO 45 -1.395 9.438 -8.743
287 HD3 PRO 45 HD1 PRO 45 -1.015 7.704 -8.712
288 H ALA 46 HN ALA 46 1.816 9.632 -12.710
289 HA ALA 46 HA ALA 46 0.408 11.178 -14.611
290 HB1 ALA 46 HB1 ALA 46 0.121 12.289 -12.176
291 HB2 ALA 46 HB2 ALA 46 0.158 13.216 -13.676
292 HB3 ALA 46 HB3 ALA 46 1.617 13.065 -12.696
293 HA PRO 47 HA PRO 47 4.594 11.106 -16.104
294 HB2 PRO 47 HB2 PRO 47 4.266 12.537 -18.360
295 HB3 PRO 47 HB1 PRO 47 3.615 10.903 -18.186
296 HG2 PRO 47 HG2 PRO 47 2.219 13.537 -17.916
297 HG3 PRO 47 HG1 PRO 47 1.671 12.059 -18.727
298 HD2 PRO 47 HD2 PRO 47 0.863 12.791 -16.224
299 HD3 PRO 47 HD1 PRO 47 0.951 11.105 -16.769
300 H PHE 48 HN PHE 48 5.979 12.266 -14.873
301 HA PHE 48 HA PHE 48 5.821 15.199 -14.975
302 HB2 PHE 48 HB2 PHE 48 6.487 13.282 -12.881
303 HB3 PHE 48 HB1 PHE 48 7.706 14.542 -13.044
304 HD1 PHE 48 HD1 PHE 48 6.611 16.984 -13.354
305 HD2 PHE 48 HD2 PHE 48 4.808 13.673 -11.382
306 HE1 PHE 48 HE1 PHE 48 5.189 18.528 -12.072
307 HE2 PHE 48 HE2 PHE 48 3.381 15.211 -10.096
308 HZ PHE 48 HZ PHE 48 3.570 17.642 -10.441
309 H ARG 49 HN ARG 49 7.878 12.450 -15.616
310 HA ARG 49 HA ARG 49 10.025 14.244 -16.514
311 HB2 ARG 49 HB2 ARG 49 9.963 11.415 -15.558
312 HB3 ARG 49 HB1 ARG 49 11.231 11.900 -16.675
313 HG2 ARG 49 HG2 ARG 49 10.798 13.658 -14.346
314 HG3 ARG 49 HG1 ARG 49 11.467 12.059 -14.017
315 HD2 ARG 49 HD2 ARG 49 13.387 13.264 -14.383
316 HD3 ARG 49 HD1 ARG 49 13.063 12.652 -16.004
317 HE ARG 49 HE ARG 49 11.791 15.038 -15.983
318 HH11 ARG 49 HH11 ARG 49 15.044 14.062 -15.180
319 HH12 ARG 49 HH12 ARG 49 15.746 15.577 -15.640
320 HH21 ARG 49 HH21 ARG 49 12.713 17.031 -16.589
321 HH22 ARG 49 HH22 ARG 49 14.423 17.263 -16.439
322 H LEU 50 HN LEU 50 11.332 12.997 -18.387
323 HA LEU 50 HA LEU 50 9.439 11.995 -20.383
324 HB2 LEU 50 HB2 LEU 50 10.345 14.618 -20.395
325 HB3 LEU 50 HB1 LEU 50 11.390 13.813 -21.549
326 HG LEU 50 HG LEU 50 8.766 12.961 -22.140
327 HD11 LEU 50 HD11 LEU 50 7.374 14.724 -22.051
328 HD12 LEU 50 HD12 LEU 50 8.657 15.889 -22.380
329 HD13 LEU 50 HD13 LEU 50 8.444 15.251 -20.750
330 HD21 LEU 50 HD21 LEU 50 10.145 13.106 -23.950
331 HD22 LEU 50 HD22 LEU 50 10.881 14.615 -23.411
332 HD23 LEU 50 HD23 LEU 50 9.270 14.627 -24.129
333 H LEU 51 HN LEU 51 10.446 10.872 -22.155
334 HA LEU 51 HA LEU 51 13.236 10.084 -21.668
335 HB2 LEU 51 HB2 LEU 51 11.001 8.459 -21.222
336 HB3 LEU 51 HB1 LEU 51 11.662 7.909 -22.751
337 HG LEU 51 HG LEU 51 13.889 7.669 -21.614
338 HD11 LEU 51 HD11 LEU 51 12.541 7.632 -18.982
339 HD12 LEU 51 HD12 LEU 51 12.904 9.214 -19.671
340 HD13 LEU 51 HD13 LEU 51 14.202 8.050 -19.405
341 HD21 LEU 51 HD21 LEU 51 13.386 5.548 -20.693
342 HD22 LEU 51 HD22 LEU 51 12.222 5.813 -21.992
343 HD23 LEU 51 HD23 LEU 51 11.731 6.027 -20.312
344 H TRP 52 HN TRP 52 14.025 8.715 -23.599
345 HA TRP 52 HA TRP 52 14.138 8.272 -25.878
346 HB2 TRP 52 HB2 TRP 52 11.804 9.868 -25.938
347 HB3 TRP 52 HB1 TRP 52 12.933 10.585 -27.079
348 HD1 TRP 52 HD1 TRP 52 10.160 8.816 -27.653
349 HE1 TRP 52 HE1 TRP 52 10.353 6.910 -29.369
350 HE3 TRP 52 HE3 TRP 52 15.234 8.174 -27.592
351 HZ2 TRP 52 HZ2 TRP 52 12.385 5.342 -30.543
352 HZ3 TRP 52 HZ3 TRP 52 16.221 6.450 -29.041
353 HH2 TRP 52 HH2 TRP 52 14.824 5.064 -30.486
354 HA PRO 53 HA PRO 53 16.657 12.123 -26.806
355 HB2 PRO 53 HB2 PRO 53 15.995 14.567 -25.968
356 HB3 PRO 53 HB1 PRO 53 15.130 13.794 -27.302
357 HG2 PRO 53 HG2 PRO 53 14.302 14.163 -24.466
358 HG3 PRO 53 HG1 PRO 53 13.318 14.200 -25.939
359 HD2 PRO 53 HD2 PRO 53 13.602 12.035 -24.176
360 HD3 PRO 53 HD1 PRO 53 12.900 11.977 -25.803
Start of MODEL 11
1 H1 GLU 1 HT1 GLU 1 -14.200 9.325 -14.475
2 H2 GLU 1 HT2 GLU 1 -15.769 8.641 -14.350
3 H3 GLU 1 HT3 GLU 1 -15.108 8.998 -15.893
4 HA GLU 1 HA GLU 1 -14.941 6.716 -15.605
5 HB2 GLU 1 HB2 GLU 1 -12.525 8.422 -15.428
6 HB3 GLU 1 HB1 GLU 1 -12.273 6.706 -15.140
7 HG2 GLU 1 HG2 GLU 1 -13.918 7.266 -17.482
8 HG3 GLU 1 HG1 GLU 1 -12.288 7.930 -17.580
9 H GLN 2 HN GLN 2 -15.395 5.195 -14.165
10 HA GLN 2 HA GLN 2 -13.860 4.805 -11.799
11 HB2 GLN 2 HB2 GLN 2 -15.767 6.688 -11.423
12 HB3 GLN 2 HB1 GLN 2 -16.686 5.240 -11.041
13 HG2 GLN 2 HG2 GLN 2 -14.136 5.125 -9.751
14 HG3 GLN 2 HG1 GLN 2 -14.922 6.661 -9.386
15 HE21 GLN 2 HE21 GLN 2 -16.487 6.699 -7.907
16 HE22 GLN 2 HE22 GLN 2 -17.193 5.306 -7.166
17 H ALA 3 HN ALA 3 -13.652 2.673 -11.932
18 HA ALA 3 HA ALA 3 -15.925 1.052 -12.810
19 HB1 ALA 3 HB1 ALA 3 -13.351 0.946 -13.590
20 HB2 ALA 3 HB2 ALA 3 -14.450 -0.432 -13.652
21 HB3 ALA 3 HB3 ALA 3 -13.334 -0.255 -12.298
22 HA PRO 4 HA PRO 4 -16.679 -0.380 -8.688
23 HB2 PRO 4 HB2 PRO 4 -18.044 -2.646 -9.215
24 HB3 PRO 4 HB1 PRO 4 -18.732 -1.043 -9.504
25 HG2 PRO 4 HG2 PRO 4 -17.477 -2.943 -11.448
26 HG3 PRO 4 HG1 PRO 4 -18.948 -1.970 -11.627
27 HD2 PRO 4 HD2 PRO 4 -16.546 -1.251 -12.690
28 HD3 PRO 4 HD1 PRO 4 -17.774 -0.075 -12.185
29 H GLY 5 HN GLY 5 -16.668 -2.690 -7.525
30 HA2 GLY 5 HA2 GLY 5 -15.266 -4.861 -7.989
31 HA3 GLY 5 HA1 GLY 5 -13.949 -3.698 -7.934
32 H THR 6 HN THR 6 -16.747 -4.804 -6.034
33 HA THR 6 HA THR 6 -15.644 -3.827 -3.576
34 HB THR 6 HB THR 6 -18.048 -3.937 -3.823
35 HG1 THR 6 HG1 THR 6 -17.718 -4.232 -1.744
36 HG21 THR 6 HG21 THR 6 -17.675 -6.900 -4.163
37 HG22 THR 6 HG22 THR 6 -18.351 -5.764 -5.331
38 HG23 THR 6 HG23 THR 6 -19.220 -6.115 -3.836
39 H ALA 7 HN ALA 7 -15.571 -6.798 -5.341
40 HA ALA 7 HA ALA 7 -14.667 -8.436 -3.173
41 HB1 ALA 7 HB1 ALA 7 -15.560 -9.841 -4.683
42 HB2 ALA 7 HB2 ALA 7 -13.932 -9.829 -5.360
43 HB3 ALA 7 HB3 ALA 7 -15.181 -8.789 -6.046
44 HA PRO 8 HA PRO 8 -10.360 -8.084 -5.323
45 HB2 PRO 8 HB2 PRO 8 -10.067 -6.202 -7.270
46 HB3 PRO 8 HB1 PRO 8 -10.538 -7.875 -7.599
47 HG2 PRO 8 HG2 PRO 8 -12.251 -5.431 -7.384
48 HG3 PRO 8 HG1 PRO 8 -12.334 -6.756 -8.559
49 HD2 PRO 8 HD2 PRO 8 -14.005 -6.589 -6.444
50 HD3 PRO 8 HD1 PRO 8 -13.460 -8.145 -7.101
51 H CYS 9 HN CYS 9 -11.071 -6.867 -3.094
52 HA CYS 9 HA CYS 9 -10.431 -5.291 -1.583
53 HB2 CYS 9 HB2 CYS 9 -8.554 -4.166 -3.654
54 HB3 CYS 9 HB1 CYS 9 -8.384 -4.150 -1.901
55 H SER 10 HN SER 10 -9.982 -2.728 -1.487
56 HA SER 10 HA SER 10 -11.877 -1.395 -3.291
57 HB2 SER 10 HB2 SER 10 -11.847 -1.068 -0.281
58 HB3 SER 10 HB1 SER 10 -12.894 -0.204 -1.407
59 HG SER 10 HG SER 10 -14.183 -1.826 -0.986
60 H ARG 11 HN ARG 11 -11.816 1.125 -2.417
61 HA ARG 11 HA ARG 11 -9.248 2.032 -3.228
62 HB2 ARG 11 HB2 ARG 11 -11.706 3.128 -3.295
63 HB3 ARG 11 HB1 ARG 11 -11.077 3.922 -1.857
64 HG2 ARG 11 HG2 ARG 11 -9.960 5.359 -3.108
65 HG3 ARG 11 HG1 ARG 11 -9.089 4.038 -3.890
66 HD2 ARG 11 HD2 ARG 11 -10.103 4.749 -5.759
67 HD3 ARG 11 HD1 ARG 11 -11.514 3.903 -5.124
68 HE ARG 11 HE ARG 11 -12.513 5.927 -4.730
69 HH11 ARG 11 HH11 ARG 11 -9.115 6.437 -5.343
70 HH12 ARG 11 HH12 ARG 11 -9.261 8.161 -5.426
71 HH21 ARG 11 HH21 ARG 11 -12.706 8.194 -4.840
72 HH22 ARG 11 HH22 ARG 11 -11.299 9.159 -5.140
73 H GLY 12 HN GLY 12 -7.500 2.522 -2.060
74 HA2 GLY 12 HA2 GLY 12 -6.605 3.645 -0.065
75 HA3 GLY 12 HA1 GLY 12 -7.825 2.789 0.866
76 H SER 13 HN SER 13 -7.560 0.239 -0.265
77 HA SER 13 HA SER 13 -5.184 -0.648 1.105
78 HB2 SER 13 HB2 SER 13 -6.054 -2.943 0.371
79 HB3 SER 13 HB1 SER 13 -7.092 -2.014 1.452
80 HG SER 13 HG SER 13 -8.546 -1.910 -0.062
81 H SER 14 HN SER 14 -4.192 -2.738 -0.188
82 HA SER 14 HA SER 14 -3.666 -2.103 -2.947
83 HB2 SER 14 HB2 SER 14 -1.601 -1.797 -0.790
84 HB3 SER 14 HB1 SER 14 -1.119 -2.249 -2.425
85 HG SER 14 HG SER 14 -1.316 -0.234 -2.938
86 H TRP 15 HN TRP 15 -2.960 -3.837 -4.136
87 HA TRP 15 HA TRP 15 -3.310 -6.422 -2.917
88 HB2 TRP 15 HB2 TRP 15 -4.229 -6.394 -5.041
89 HB3 TRP 15 HB1 TRP 15 -2.951 -5.381 -5.698
90 HD1 TRP 15 HD1 TRP 15 -0.894 -6.576 -6.799
91 HE1 TRP 15 HE1 TRP 15 -0.370 -9.028 -7.378
92 HE3 TRP 15 HE3 TRP 15 -4.618 -8.856 -4.138
93 HZ2 TRP 15 HZ2 TRP 15 -1.398 -11.584 -6.784
94 HZ3 TRP 15 HZ3 TRP 15 -4.780 -11.308 -4.199
95 HH2 TRP 15 HH2 TRP 15 -3.201 -12.645 -5.496
96 H SER 16 HN SER 16 -1.704 -8.196 -3.364
97 HA SER 16 HA SER 16 1.049 -7.266 -3.405
98 HB2 SER 16 HB2 SER 16 0.387 -9.409 -1.448
99 HB3 SER 16 HB1 SER 16 1.648 -8.178 -1.381
100 HG SER 16 HG SER 16 -0.279 -7.984 0.072
101 H ALA 17 HN ALA 17 2.242 -8.412 -4.775
102 HA ALA 17 HA ALA 17 1.159 -10.905 -5.834
103 HB1 ALA 17 HB1 ALA 17 2.234 -10.442 -7.761
104 HB2 ALA 17 HB2 ALA 17 3.674 -9.842 -6.939
105 HB3 ALA 17 HB3 ALA 17 2.258 -8.804 -7.109
106 H ASP 18 HN ASP 18 3.625 -9.791 -3.710
107 HA ASP 18 HA ASP 18 5.578 -11.743 -3.949
108 HB2 ASP 18 HB2 ASP 18 5.387 -9.621 -2.398
109 HB3 ASP 18 HB1 ASP 18 4.786 -10.790 -1.226
110 H LEU 19 HN LEU 19 2.423 -11.911 -2.450
111 HA LEU 19 HA LEU 19 2.726 -14.795 -2.205
112 HB2 LEU 19 HB2 LEU 19 1.567 -14.573 0.113
113 HB3 LEU 19 HB1 LEU 19 3.307 -14.396 -0.015
114 HG LEU 19 HG LEU 19 2.102 -11.820 -0.342
115 HD11 LEU 19 HD11 LEU 19 0.633 -11.569 1.343
116 HD12 LEU 19 HD12 LEU 19 1.469 -12.719 2.387
117 HD13 LEU 19 HD13 LEU 19 0.388 -13.301 1.120
118 HD21 LEU 19 HD21 LEU 19 4.262 -11.790 0.427
119 HD22 LEU 19 HD22 LEU 19 4.013 -13.163 1.506
120 HD23 LEU 19 HD23 LEU 19 3.380 -11.575 1.941
121 H ASP 20 HN ASP 20 1.148 -12.724 -3.748
122 HA ASP 20 HA ASP 20 -0.990 -12.313 -4.450
123 HB2 ASP 20 HB2 ASP 20 -0.780 -15.272 -4.082
124 HB3 ASP 20 HB1 ASP 20 -2.335 -14.581 -4.537
125 H LYS 21 HN LYS 21 -1.555 -10.994 -2.626
126 HA LYS 21 HA LYS 21 -3.969 -11.766 -1.401
127 HB2 LYS 21 HB2 LYS 21 -1.799 -12.792 -0.059
128 HB3 LYS 21 HB1 LYS 21 -2.103 -11.294 0.810
129 HG2 LYS 21 HG2 LYS 21 -4.616 -12.398 0.518
130 HG3 LYS 21 HG1 LYS 21 -3.576 -13.788 0.829
131 HD2 LYS 21 HD2 LYS 21 -2.613 -12.307 2.737
132 HD3 LYS 21 HD1 LYS 21 -4.114 -11.400 2.551
133 HE2 LYS 21 HE2 LYS 21 -5.396 -13.448 2.927
134 HE3 LYS 21 HE1 LYS 21 -3.897 -14.358 3.104
135 HZ1 LYS 21 HZ1 LYS 21 -4.324 -12.026 4.829
136 HZ2 LYS 21 HZ2 LYS 21 -3.485 -13.461 5.145
137 HZ3 LYS 21 HZ3 LYS 21 -5.177 -13.446 5.178
138 H CYS 22 HN CYS 22 -5.071 -10.009 -0.656
139 HA CYS 22 HA CYS 22 -3.941 -7.430 -1.226
140 HB2 CYS 22 HB2 CYS 22 -6.432 -8.334 -1.438
141 HB3 CYS 22 HB1 CYS 22 -6.546 -7.702 0.201
142 H MET 23 HN MET 23 -4.027 -5.624 0.323
143 HA MET 23 HA MET 23 -4.151 -6.138 3.117
144 HB2 MET 23 HB2 MET 23 -1.674 -6.676 1.855
145 HB3 MET 23 HB1 MET 23 -1.468 -5.189 2.770
146 HG2 MET 23 HG2 MET 23 -1.329 -6.315 4.663
147 HG3 MET 23 HG1 MET 23 -2.882 -7.092 4.364
148 HE1 MET 23 HE1 MET 23 0.213 -7.772 5.574
149 HE2 MET 23 HE2 MET 23 0.495 -9.470 5.188
150 HE3 MET 23 HE3 MET 23 -0.988 -8.986 6.013
151 H ASP 24 HN ASP 24 -4.830 -4.321 4.029
152 HA ASP 24 HA ASP 24 -5.060 -1.901 2.618
153 HB2 ASP 24 HB2 ASP 24 -6.340 -2.836 4.730
154 HB3 ASP 24 HB1 ASP 24 -5.114 -1.927 5.607
155 H CYS 25 HN CYS 25 -4.203 0.222 3.449
156 HA CYS 25 HA CYS 25 -1.333 0.077 3.528
157 HB2 CYS 25 HB2 CYS 25 -3.161 1.925 2.587
158 HB3 CYS 25 HB1 CYS 25 -2.500 2.714 4.014
159 H ALA 26 HN ALA 26 -3.894 0.561 5.822
160 HA ALA 26 HA ALA 26 -2.548 1.885 7.869
161 HB1 ALA 26 HB1 ALA 26 -4.657 -0.246 8.192
162 HB2 ALA 26 HB2 ALA 26 -4.979 1.450 7.828
163 HB3 ALA 26 HB3 ALA 26 -4.230 1.004 9.361
164 H SER 27 HN SER 27 -2.409 -1.458 6.866
165 HA SER 27 HA SER 27 -0.897 -2.233 9.205
166 HB2 SER 27 HB2 SER 27 -2.668 -3.691 8.041
167 HB3 SER 27 HB1 SER 27 -1.433 -3.980 6.815
168 HG SER 27 HG SER 27 -0.071 -4.686 8.597
169 H CYS 28 HN CYS 28 0.451 -0.287 7.857
170 HA CYS 28 HA CYS 28 2.895 -1.612 7.213
171 HB2 CYS 28 HB2 CYS 28 1.542 -1.637 5.059
172 HB3 CYS 28 HB1 CYS 28 1.701 0.115 5.051
173 H ARG 29 HN ARG 29 2.123 0.180 9.225
174 HA ARG 29 HA ARG 29 3.499 2.667 8.458
175 HB2 ARG 29 HB2 ARG 29 1.068 2.540 9.508
176 HB3 ARG 29 HB1 ARG 29 1.973 2.432 11.011
177 HG2 ARG 29 HG2 ARG 29 1.595 4.696 10.813
178 HG3 ARG 29 HG1 ARG 29 3.217 4.523 10.139
179 HD2 ARG 29 HD2 ARG 29 1.516 4.122 7.979
180 HD3 ARG 29 HD1 ARG 29 0.776 5.442 8.882
181 HE ARG 29 HE ARG 29 3.595 5.785 8.485
182 HH11 ARG 29 HH11 ARG 29 0.445 6.239 7.053
183 HH12 ARG 29 HH12 ARG 29 0.964 7.524 6.015
184 HH21 ARG 29 HH21 ARG 29 4.278 7.477 7.123
185 HH22 ARG 29 HH22 ARG 29 3.141 8.227 6.054
186 H ALA 30 HN ALA 30 4.975 0.316 9.021
187 HA ALA 30 HA ALA 30 6.853 1.307 10.862
188 HB1 ALA 30 HB1 ALA 30 5.057 -0.870 11.914
189 HB2 ALA 30 HB2 ALA 30 5.311 0.737 12.595
190 HB3 ALA 30 HB3 ALA 30 6.616 -0.449 12.623
191 H ARG 31 HN ARG 31 5.488 -1.583 9.356
192 HA ARG 31 HA ARG 31 8.228 -2.570 8.911
193 HB2 ARG 31 HB2 ARG 31 5.615 -4.078 9.078
194 HB3 ARG 31 HB1 ARG 31 7.135 -4.806 8.578
195 HG2 ARG 31 HG2 ARG 31 7.026 -5.374 10.806
196 HG3 ARG 31 HG1 ARG 31 8.021 -3.917 10.844
197 HD2 ARG 31 HD2 ARG 31 6.195 -2.585 11.567
198 HD3 ARG 31 HD1 ARG 31 5.038 -3.874 11.238
199 HE ARG 31 HE ARG 31 6.549 -3.508 13.616
200 HH11 ARG 31 HH11 ARG 31 5.234 -5.973 11.526
201 HH12 ARG 31 HH12 ARG 31 5.117 -7.155 12.785
202 HH21 ARG 31 HH21 ARG 31 6.396 -5.061 15.274
203 HH22 ARG 31 HH22 ARG 31 5.776 -6.637 14.914
204 HA PRO 32 HA PRO 32 6.503 -1.369 4.755
205 HB2 PRO 32 HB2 PRO 32 8.656 0.036 3.920
206 HB3 PRO 32 HB1 PRO 32 7.379 0.757 4.909
207 HG2 PRO 32 HG2 PRO 32 10.063 -0.276 5.740
208 HG3 PRO 32 HG1 PRO 32 9.230 1.207 6.243
209 HD2 PRO 32 HD2 PRO 32 9.278 -1.053 7.756
210 HD3 PRO 32 HD1 PRO 32 7.930 0.103 7.785
211 H HIS 33 HN HIS 33 6.687 -3.603 4.229
212 HA HIS 33 HA HIS 33 8.850 -4.172 2.435
213 HB2 HIS 33 HB2 HIS 33 8.843 -5.296 5.157
214 HB3 HIS 33 HB1 HIS 33 9.039 -6.490 3.878
215 HD1 HIS 33 HD1 HIS 33 10.812 -3.788 5.667
216 HD2 HIS 33 HD2 HIS 33 11.397 -6.153 2.302
217 HE1 HIS 33 HE1 HIS 33 13.239 -3.514 5.067
218 HE2 HIS 33 HE2 HIS 33 13.592 -5.031 3.085
219 H SER 34 HN SER 34 6.558 -3.972 1.448
220 HA SER 34 HA SER 34 5.750 -6.603 0.705
221 HB2 SER 34 HB2 SER 34 3.822 -4.857 2.247
222 HB3 SER 34 HB1 SER 34 3.349 -6.290 1.335
223 HG SER 34 HG SER 34 3.753 -6.611 3.637
224 H ASP 35 HN ASP 35 4.656 -6.643 -1.233
225 HA ASP 35 HA ASP 35 5.049 -4.554 -3.013
226 HB2 ASP 35 HB2 ASP 35 4.648 -6.901 -3.683
227 HB3 ASP 35 HB1 ASP 35 2.961 -6.736 -3.207
228 H PHE 36 HN PHE 36 2.190 -5.335 -1.084
229 HA PHE 36 HA PHE 36 0.479 -3.436 -2.274
230 HB2 PHE 36 HB2 PHE 36 -1.009 -3.828 -0.460
231 HB3 PHE 36 HB1 PHE 36 -0.218 -5.362 -0.797
232 HD1 PHE 36 HD2 PHE 36 -0.354 -2.506 1.524
233 HD2 PHE 36 HD1 PHE 36 1.129 -6.434 0.831
234 HE1 PHE 36 HE2 PHE 36 0.311 -2.667 3.887
235 HE2 PHE 36 HE1 PHE 36 1.795 -6.604 3.195
236 HZ PHE 36 HZ PHE 36 1.387 -4.718 4.725
237 H CYS 37 HN CYS 37 3.156 -3.054 -0.204
238 HA CYS 37 HA CYS 37 2.267 -0.514 0.882
239 HB2 CYS 37 HB2 CYS 37 4.871 -2.027 1.138
240 HB3 CYS 37 HB1 CYS 37 4.568 -0.469 1.896
241 H LEU 38 HN LEU 38 4.940 -1.644 -1.202
242 HA LEU 38 HA LEU 38 5.844 0.920 -1.910
243 HB2 LEU 38 HB2 LEU 38 6.820 -0.279 -3.929
244 HB3 LEU 38 HB1 LEU 38 7.328 -0.834 -2.347
245 HG LEU 38 HG LEU 38 5.132 -2.438 -2.962
246 HD11 LEU 38 HD11 LEU 38 5.977 -3.408 -5.174
247 HD12 LEU 38 HD12 LEU 38 6.785 -1.855 -5.393
248 HD13 LEU 38 HD13 LEU 38 5.029 -1.921 -5.234
249 HD21 LEU 38 HD21 LEU 38 6.779 -3.562 -1.887
250 HD22 LEU 38 HD22 LEU 38 8.068 -2.730 -2.758
251 HD23 LEU 38 HD23 LEU 38 7.188 -4.048 -3.532
252 H GLY 39 HN GLY 39 3.068 -0.840 -2.887
253 HA2 GLY 39 HA2 GLY 39 2.721 0.745 -5.318
254 HA3 GLY 39 HA1 GLY 39 1.714 -0.601 -4.805
255 H CYS 40 HN CYS 40 1.416 0.438 -2.076
256 HA CYS 40 HA CYS 40 -0.904 2.016 -2.502
257 HB2 CYS 40 HB2 CYS 40 -0.668 0.492 -0.584
258 HB3 CYS 40 HB1 CYS 40 0.622 1.501 0.060
259 H ALA 41 HN ALA 41 2.382 2.759 -1.442
260 HA ALA 41 HA ALA 41 1.994 5.425 -0.697
261 HB1 ALA 41 HB1 ALA 41 4.103 3.754 -0.654
262 HB2 ALA 41 HB2 ALA 41 4.234 5.498 -0.432
263 HB3 ALA 41 HB3 ALA 41 4.554 4.785 -2.012
264 H ALA 42 HN ALA 42 1.459 7.164 -1.832
265 HA ALA 42 HA ALA 42 1.685 7.062 -4.758
266 HB1 ALA 42 HB1 ALA 42 0.168 9.233 -4.345
267 HB2 ALA 42 HB2 ALA 42 -0.208 8.330 -2.878
268 HB3 ALA 42 HB3 ALA 42 -0.492 7.601 -4.459
269 H ALA 43 HN ALA 43 4.004 7.530 -4.552
270 HA ALA 43 HA ALA 43 5.776 8.936 -4.778
271 HB1 ALA 43 HB1 ALA 43 4.969 11.473 -5.086
272 HB2 ALA 43 HB2 ALA 43 3.460 10.638 -5.453
273 HB3 ALA 43 HB3 ALA 43 4.915 10.277 -6.382
274 HA PRO 44 HA PRO 44 6.776 10.283 -0.699
275 HB2 PRO 44 HB2 PRO 44 8.537 12.301 -1.978
276 HB3 PRO 44 HB1 PRO 44 8.937 11.039 -0.808
277 HG2 PRO 44 HG2 PRO 44 9.638 10.805 -3.372
278 HG3 PRO 44 HG1 PRO 44 9.100 9.398 -2.436
279 HD2 PRO 44 HD2 PRO 44 7.613 11.004 -4.473
280 HD3 PRO 44 HD1 PRO 44 7.597 9.252 -4.185
281 HA PRO 45 HA PRO 45 4.266 13.939 -0.199
282 HB2 PRO 45 HB2 PRO 45 4.378 14.153 2.471
283 HB3 PRO 45 HB1 PRO 45 3.496 12.838 1.686
284 HG2 PRO 45 HG2 PRO 45 6.217 12.818 2.931
285 HG3 PRO 45 HG1 PRO 45 4.928 11.606 3.039
286 HD2 PRO 45 HD2 PRO 45 7.082 11.409 1.348
287 HD3 PRO 45 HD1 PRO 45 5.516 10.630 1.054
288 H ALA 46 HN ALA 46 4.437 16.146 0.480
289 HA ALA 46 HA ALA 46 5.499 18.150 0.665
290 HB1 ALA 46 HB1 ALA 46 7.617 18.086 2.146
291 HB2 ALA 46 HB2 ALA 46 7.177 16.400 2.418
292 HB3 ALA 46 HB3 ALA 46 6.057 17.686 2.866
293 HA PRO 47 HA PRO 47 8.044 17.482 -3.079
294 HB2 PRO 47 HB2 PRO 47 7.753 20.450 -2.990
295 HB3 PRO 47 HB1 PRO 47 7.561 19.341 -4.352
296 HG2 PRO 47 HG2 PRO 47 5.432 20.391 -3.153
297 HG3 PRO 47 HG1 PRO 47 5.425 18.707 -3.706
298 HD2 PRO 47 HD2 PRO 47 5.687 19.795 -0.942
299 HD3 PRO 47 HD1 PRO 47 4.889 18.311 -1.502
300 H PHE 48 HN PHE 48 10.212 17.515 -3.256
301 HA PHE 48 HA PHE 48 11.716 19.057 -1.252
302 HB2 PHE 48 HB2 PHE 48 12.477 16.550 -2.764
303 HB3 PHE 48 HB1 PHE 48 13.544 17.413 -1.661
304 HD1 PHE 48 HD2 PHE 48 12.831 17.635 0.760
305 HD2 PHE 48 HD1 PHE 48 10.970 14.957 -1.973
306 HE1 PHE 48 HE2 PHE 48 11.925 16.343 2.649
307 HE2 PHE 48 HE1 PHE 48 10.060 13.661 -0.091
308 HZ PHE 48 HZ PHE 48 10.538 14.353 2.224
309 H ARG 49 HN ARG 49 11.436 18.326 -4.668
310 HA ARG 49 HA ARG 49 13.786 19.764 -5.443
311 HB2 ARG 49 HB2 ARG 49 11.410 18.773 -7.023
312 HB3 ARG 49 HB1 ARG 49 12.811 19.549 -7.749
313 HG2 ARG 49 HG2 ARG 49 13.832 17.593 -7.848
314 HG3 ARG 49 HG1 ARG 49 13.777 17.482 -6.088
315 HD2 ARG 49 HD2 ARG 49 12.500 15.675 -6.397
316 HD3 ARG 49 HD1 ARG 49 11.217 16.805 -6.825
317 HE ARG 49 HE ARG 49 12.512 16.438 -9.167
318 HH11 ARG 49 HH11 ARG 49 11.177 14.233 -6.815
319 HH12 ARG 49 HH12 ARG 49 10.816 13.008 -7.984
320 HH21 ARG 49 HH21 ARG 49 12.037 14.828 -10.707
321 HH22 ARG 49 HH22 ARG 49 11.302 13.346 -10.194
322 H LEU 50 HN LEU 50 14.006 21.840 -6.099
323 HA LEU 50 HA LEU 50 11.635 23.563 -5.829
324 HB2 LEU 50 HB2 LEU 50 14.556 24.052 -5.329
325 HB3 LEU 50 HB1 LEU 50 13.442 25.384 -5.575
326 HG LEU 50 HG LEU 50 13.028 23.303 -3.437
327 HD11 LEU 50 HD11 LEU 50 14.581 25.872 -3.350
328 HD12 LEU 50 HD12 LEU 50 15.096 24.260 -2.855
329 HD13 LEU 50 HD13 LEU 50 13.892 25.132 -1.906
330 HD21 LEU 50 HD21 LEU 50 11.176 24.883 -4.346
331 HD22 LEU 50 HD22 LEU 50 12.026 26.119 -3.418
332 HD23 LEU 50 HD23 LEU 50 11.381 24.693 -2.605
333 H LEU 51 HN LEU 51 10.887 24.551 -7.582
334 HA LEU 51 HA LEU 51 12.708 24.973 -9.853
335 HB2 LEU 51 HB2 LEU 51 10.298 23.355 -9.740
336 HB3 LEU 51 HB1 LEU 51 10.191 24.591 -10.978
337 HG LEU 51 HG LEU 51 12.507 22.673 -10.772
338 HD11 LEU 51 HD11 LEU 51 10.468 22.334 -12.881
339 HD12 LEU 51 HD12 LEU 51 10.020 21.815 -11.256
340 HD13 LEU 51 HD13 LEU 51 11.444 21.131 -12.038
341 HD21 LEU 51 HD21 LEU 51 13.230 24.431 -12.074
342 HD22 LEU 51 HD22 LEU 51 11.621 24.754 -12.720
343 HD23 LEU 51 HD23 LEU 51 12.535 23.356 -13.286
344 H TRP 52 HN TRP 52 11.606 26.488 -11.513
345 HA TRP 52 HA TRP 52 11.216 28.977 -10.313
346 HB2 TRP 52 HB2 TRP 52 10.307 28.161 -13.077
347 HB3 TRP 52 HB1 TRP 52 10.663 29.793 -12.523
348 HD1 TRP 52 HD1 TRP 52 12.345 26.611 -13.744
349 HE1 TRP 52 HE1 TRP 52 14.839 27.090 -14.164
350 HE3 TRP 52 HE3 TRP 52 12.627 31.292 -11.707
351 HZ2 TRP 52 HZ2 TRP 52 16.682 29.176 -13.694
352 HZ3 TRP 52 HZ3 TRP 52 14.792 32.460 -11.731
353 HH2 TRP 52 HH2 TRP 52 16.777 31.422 -12.704
354 HA PRO 53 HA PRO 53 6.925 28.233 -9.083
355 HB2 PRO 53 HB2 PRO 53 6.666 30.501 -7.614
356 HB3 PRO 53 HB1 PRO 53 7.471 29.050 -7.005
357 HG2 PRO 53 HG2 PRO 53 8.671 31.537 -8.160
358 HG3 PRO 53 HG1 PRO 53 9.178 30.607 -6.738
359 HD2 PRO 53 HD2 PRO 53 10.414 30.384 -9.134
360 HD3 PRO 53 HD1 PRO 53 10.266 29.019 -8.009
Start of MODEL 12
1 H1 GLU 1 HT1 GLU 1 -12.159 -8.732 -16.516
2 H2 GLU 1 HT2 GLU 1 -13.871 -8.815 -16.423
3 H3 GLU 1 HT3 GLU 1 -13.098 -7.316 -16.744
4 HA GLU 1 HA GLU 1 -13.038 -9.691 -18.480
5 HB2 GLU 1 HB2 GLU 1 -14.902 -7.453 -18.146
6 HB3 GLU 1 HB1 GLU 1 -14.329 -7.640 -19.798
7 HG2 GLU 1 HG2 GLU 1 -15.459 -9.556 -20.116
8 HG3 GLU 1 HG1 GLU 1 -15.186 -10.118 -18.468
9 H GLN 2 HN GLN 2 -12.091 -9.276 -20.548
10 HA GLN 2 HA GLN 2 -10.550 -8.432 -21.994
11 HB2 GLN 2 HB2 GLN 2 -10.639 -5.865 -20.411
12 HB3 GLN 2 HB1 GLN 2 -10.132 -6.077 -22.081
13 HG2 GLN 2 HG2 GLN 2 -12.561 -6.926 -22.433
14 HG3 GLN 2 HG1 GLN 2 -12.880 -6.070 -20.924
15 HE21 GLN 2 HE21 GLN 2 -11.590 -3.823 -20.999
16 HE22 GLN 2 HE22 GLN 2 -11.982 -2.868 -22.385
17 H ALA 3 HN ALA 3 -9.737 -6.856 -18.895
18 HA ALA 3 HA ALA 3 -6.975 -7.118 -19.142
19 HB1 ALA 3 HB1 ALA 3 -8.053 -7.251 -16.402
20 HB2 ALA 3 HB2 ALA 3 -8.592 -5.886 -17.379
21 HB3 ALA 3 HB3 ALA 3 -6.870 -6.149 -17.109
22 HA PRO 4 HA PRO 4 -6.000 -11.384 -18.554
23 HB2 PRO 4 HB2 PRO 4 -3.854 -10.395 -16.740
24 HB3 PRO 4 HB1 PRO 4 -3.740 -11.474 -18.135
25 HG2 PRO 4 HG2 PRO 4 -2.936 -8.942 -18.308
26 HG3 PRO 4 HG1 PRO 4 -3.780 -9.726 -19.658
27 HD2 PRO 4 HD2 PRO 4 -4.804 -7.741 -17.677
28 HD3 PRO 4 HD1 PRO 4 -5.183 -7.914 -19.402
29 H GLY 5 HN GLY 5 -5.247 -9.657 -15.518
30 HA2 GLY 5 HA2 GLY 5 -7.332 -11.069 -14.100
31 HA3 GLY 5 HA1 GLY 5 -5.707 -11.597 -13.691
32 H THR 6 HN THR 6 -8.044 -9.885 -12.450
33 HA THR 6 HA THR 6 -6.211 -8.055 -11.091
34 HB THR 6 HB THR 6 -8.907 -7.135 -12.092
35 HG1 THR 6 HG1 THR 6 -6.362 -6.517 -13.171
36 HG21 THR 6 HG21 THR 6 -7.057 -6.013 -10.257
37 HG22 THR 6 HG22 THR 6 -8.581 -5.347 -10.845
38 HG23 THR 6 HG23 THR 6 -7.082 -5.019 -11.714
39 H ALA 7 HN ALA 7 -6.581 -7.885 -8.947
40 HA ALA 7 HA ALA 7 -8.635 -9.583 -7.809
41 HB1 ALA 7 HB1 ALA 7 -7.432 -8.551 -5.649
42 HB2 ALA 7 HB2 ALA 7 -6.156 -8.304 -6.840
43 HB3 ALA 7 HB3 ALA 7 -6.787 -9.924 -6.549
44 HA PRO 8 HA PRO 8 -11.394 -6.215 -6.957
45 HB2 PRO 8 HB2 PRO 8 -13.091 -7.431 -5.278
46 HB3 PRO 8 HB1 PRO 8 -12.996 -7.888 -6.983
47 HG2 PRO 8 HG2 PRO 8 -11.799 -9.231 -4.592
48 HG3 PRO 8 HG1 PRO 8 -12.606 -9.954 -5.994
49 HD2 PRO 8 HD2 PRO 8 -9.878 -9.795 -5.698
50 HD3 PRO 8 HD1 PRO 8 -10.704 -9.901 -7.264
51 H CYS 9 HN CYS 9 -9.087 -5.719 -5.628
52 HA CYS 9 HA CYS 9 -9.302 -5.737 -2.808
53 HB2 CYS 9 HB2 CYS 9 -7.342 -5.053 -4.703
54 HB3 CYS 9 HB1 CYS 9 -7.626 -3.590 -3.766
55 H SER 10 HN SER 10 -10.352 -3.523 -5.290
56 HA SER 10 HA SER 10 -11.654 -1.660 -5.240
57 HB2 SER 10 HB2 SER 10 -12.307 -2.609 -2.440
58 HB3 SER 10 HB1 SER 10 -13.200 -1.381 -3.337
59 HG SER 10 HG SER 10 -14.034 -3.613 -3.404
60 H ARG 11 HN ARG 11 -12.118 0.393 -3.772
61 HA ARG 11 HA ARG 11 -9.611 1.635 -3.367
62 HB2 ARG 11 HB2 ARG 11 -11.939 2.659 -3.956
63 HB3 ARG 11 HB1 ARG 11 -12.155 2.724 -2.213
64 HG2 ARG 11 HG2 ARG 11 -11.345 4.838 -2.872
65 HG3 ARG 11 HG1 ARG 11 -9.993 4.006 -2.102
66 HD2 ARG 11 HD2 ARG 11 -9.177 5.076 -4.078
67 HD3 ARG 11 HD1 ARG 11 -9.203 3.337 -4.368
68 HE ARG 11 HE ARG 11 -11.576 4.695 -5.255
69 HH11 ARG 11 HH11 ARG 11 -8.329 3.748 -6.117
70 HH12 ARG 11 HH12 ARG 11 -8.635 3.796 -7.821
71 HH21 ARG 11 HH21 ARG 11 -11.979 4.758 -7.496
72 HH22 ARG 11 HH22 ARG 11 -10.707 4.369 -8.604
73 H GLY 12 HN GLY 12 -8.557 2.269 -1.498
74 HA2 GLY 12 HA2 GLY 12 -8.561 2.544 0.924
75 HA3 GLY 12 HA1 GLY 12 -9.591 1.125 1.021
76 H SER 13 HN SER 13 -8.507 -0.866 -0.125
77 HA SER 13 HA SER 13 -5.898 -1.162 1.153
78 HB2 SER 13 HB2 SER 13 -6.245 -3.530 1.010
79 HB3 SER 13 HB1 SER 13 -7.769 -2.819 1.543
80 HG SER 13 HG SER 13 -8.624 -3.747 -0.123
81 H SER 14 HN SER 14 -4.795 -3.206 -0.322
82 HA SER 14 HA SER 14 -4.688 -2.510 -3.097
83 HB2 SER 14 HB2 SER 14 -2.556 -1.620 -1.204
84 HB3 SER 14 HB1 SER 14 -2.082 -2.150 -2.818
85 HG SER 14 HG SER 14 -2.596 -0.188 -3.364
86 H TRP 15 HN TRP 15 -4.118 -4.221 -4.289
87 HA TRP 15 HA TRP 15 -3.746 -6.749 -3.130
88 HB2 TRP 15 HB2 TRP 15 -4.650 -6.853 -5.262
89 HB3 TRP 15 HB1 TRP 15 -3.554 -5.636 -5.901
90 HD1 TRP 15 HD1 TRP 15 -1.382 -6.467 -7.072
91 HE1 TRP 15 HE1 TRP 15 -0.418 -8.790 -7.618
92 HE3 TRP 15 HE3 TRP 15 -4.528 -9.344 -4.249
93 HZ2 TRP 15 HZ2 TRP 15 -0.925 -11.478 -6.941
94 HZ3 TRP 15 HZ3 TRP 15 -4.223 -11.782 -4.256
95 HH2 TRP 15 HH2 TRP 15 -2.458 -12.828 -5.576
96 H SER 16 HN SER 16 -1.853 -8.198 -3.509
97 HA SER 16 HA SER 16 0.695 -6.808 -3.633
98 HB2 SER 16 HB2 SER 16 1.021 -8.764 -1.623
99 HB3 SER 16 HB1 SER 16 1.079 -7.011 -1.437
100 HG SER 16 HG SER 16 -0.604 -8.505 -0.281
101 H ALA 17 HN ALA 17 2.306 -7.944 -4.598
102 HA ALA 17 HA ALA 17 1.561 -10.537 -5.729
103 HB1 ALA 17 HB1 ALA 17 3.459 -8.384 -6.506
104 HB2 ALA 17 HB2 ALA 17 2.284 -9.265 -7.484
105 HB3 ALA 17 HB3 ALA 17 3.802 -10.036 -7.021
106 H ASP 18 HN ASP 18 3.700 -9.114 -3.418
107 HA ASP 18 HA ASP 18 5.781 -10.951 -3.337
108 HB2 ASP 18 HB2 ASP 18 4.885 -8.792 -1.757
109 HB3 ASP 18 HB1 ASP 18 5.065 -10.158 -0.661
110 H LEU 19 HN LEU 19 2.541 -11.145 -1.985
111 HA LEU 19 HA LEU 19 3.034 -13.975 -1.398
112 HB2 LEU 19 HB2 LEU 19 3.124 -12.576 0.685
113 HB3 LEU 19 HB1 LEU 19 1.453 -12.140 0.399
114 HG LEU 19 HG LEU 19 2.194 -14.123 2.038
115 HD11 LEU 19 HD11 LEU 19 -0.199 -15.071 0.965
116 HD12 LEU 19 HD12 LEU 19 -0.210 -13.332 0.672
117 HD13 LEU 19 HD13 LEU 19 0.005 -13.950 2.309
118 HD21 LEU 19 HD21 LEU 19 1.519 -15.627 -0.475
119 HD22 LEU 19 HD22 LEU 19 2.078 -16.263 1.072
120 HD23 LEU 19 HD23 LEU 19 3.182 -15.352 0.042
121 H ASP 20 HN ASP 20 1.610 -12.278 -3.493
122 HA ASP 20 HA ASP 20 -0.384 -12.191 -4.621
123 HB2 ASP 20 HB2 ASP 20 0.532 -14.907 -4.303
124 HB3 ASP 20 HB1 ASP 20 -1.223 -14.875 -4.432
125 H LYS 21 HN LYS 21 -1.366 -10.928 -2.858
126 HA LYS 21 HA LYS 21 -3.923 -11.938 -2.208
127 HB2 LYS 21 HB2 LYS 21 -1.806 -12.340 -0.253
128 HB3 LYS 21 HB1 LYS 21 -3.123 -11.375 0.400
129 HG2 LYS 21 HG2 LYS 21 -3.729 -13.906 -1.057
130 HG3 LYS 21 HG1 LYS 21 -3.167 -13.963 0.615
131 HD2 LYS 21 HD2 LYS 21 -5.006 -12.493 1.284
132 HD3 LYS 21 HD1 LYS 21 -5.564 -12.426 -0.390
133 HE2 LYS 21 HE2 LYS 21 -5.350 -14.942 1.258
134 HE3 LYS 21 HE1 LYS 21 -6.837 -14.029 1.005
135 HZ1 LYS 21 HZ1 LYS 21 -5.874 -16.045 -0.577
136 HZ2 LYS 21 HZ2 LYS 21 -5.538 -14.642 -1.460
137 HZ3 LYS 21 HZ3 LYS 21 -7.123 -14.973 -0.969
138 H CYS 22 HN CYS 22 -5.071 -10.350 -0.646
139 HA CYS 22 HA CYS 22 -4.248 -7.646 -1.441
140 HB2 CYS 22 HB2 CYS 22 -6.838 -8.994 -1.115
141 HB3 CYS 22 HB1 CYS 22 -6.781 -7.380 -0.412
142 H MET 23 HN MET 23 -3.997 -6.016 0.045
143 HA MET 23 HA MET 23 -4.527 -6.523 2.837
144 HB2 MET 23 HB2 MET 23 -2.201 -7.383 2.309
145 HB3 MET 23 HB1 MET 23 -1.754 -5.715 1.977
146 HG2 MET 23 HG2 MET 23 -1.180 -5.645 4.125
147 HG3 MET 23 HG1 MET 23 -2.909 -5.495 4.428
148 HE1 MET 23 HE1 MET 23 0.111 -6.822 5.146
149 HE2 MET 23 HE2 MET 23 0.070 -8.580 5.283
150 HE3 MET 23 HE3 MET 23 -0.426 -7.577 6.646
151 H ASP 24 HN ASP 24 -4.858 -4.680 4.028
152 HA ASP 24 HA ASP 24 -5.616 -2.357 2.672
153 HB2 ASP 24 HB2 ASP 24 -5.833 -3.335 5.276
154 HB3 ASP 24 HB1 ASP 24 -4.921 -1.838 5.446
155 H CYS 25 HN CYS 25 -4.734 -0.220 2.760
156 HA CYS 25 HA CYS 25 -1.969 -0.127 2.154
157 HB2 CYS 25 HB2 CYS 25 -3.749 1.412 1.246
158 HB3 CYS 25 HB1 CYS 25 -3.755 2.221 2.809
159 H ALA 26 HN ALA 26 -3.794 0.389 5.072
160 HA ALA 26 HA ALA 26 -1.547 1.607 6.453
161 HB1 ALA 26 HB1 ALA 26 -3.905 0.769 8.007
162 HB2 ALA 26 HB2 ALA 26 -4.204 1.955 6.736
163 HB3 ALA 26 HB3 ALA 26 -3.029 2.300 8.004
164 H SER 27 HN SER 27 0.047 0.148 6.782
165 HA SER 27 HA SER 27 -0.274 -1.798 8.807
166 HB2 SER 27 HB2 SER 27 0.357 -3.788 7.381
167 HB3 SER 27 HB1 SER 27 -1.282 -3.185 7.134
168 HG SER 27 HG SER 27 -0.780 -2.632 5.161
169 H CYS 28 HN CYS 28 1.672 -0.810 6.017
170 HA CYS 28 HA CYS 28 4.118 -1.584 7.331
171 HB2 CYS 28 HB2 CYS 28 5.227 -0.900 5.283
172 HB3 CYS 28 HB1 CYS 28 3.833 -1.903 4.895
173 H ARG 29 HN ARG 29 3.032 0.158 8.987
174 HA ARG 29 HA ARG 29 3.742 2.878 8.432
175 HB2 ARG 29 HB2 ARG 29 2.976 1.546 11.034
176 HB3 ARG 29 HB1 ARG 29 3.116 3.280 10.785
177 HG2 ARG 29 HG2 ARG 29 1.377 2.806 8.866
178 HG3 ARG 29 HG1 ARG 29 1.020 1.390 9.857
179 HD2 ARG 29 HD2 ARG 29 1.191 3.570 11.626
180 HD3 ARG 29 HD1 ARG 29 0.244 4.126 10.246
181 HE ARG 29 HE ARG 29 -1.448 2.715 10.877
182 HH11 ARG 29 HH11 ARG 29 1.456 1.852 12.606
183 HH12 ARG 29 HH12 ARG 29 0.649 0.735 13.656
184 HH21 ARG 29 HH21 ARG 29 -2.512 1.248 12.257
185 HH22 ARG 29 HH22 ARG 29 -1.603 0.394 13.458
186 H ALA 30 HN ALA 30 5.124 0.256 10.367
187 HA ALA 30 HA ALA 30 7.561 1.886 10.680
188 HB1 ALA 30 HB1 ALA 30 6.177 1.258 12.765
189 HB2 ALA 30 HB2 ALA 30 7.927 1.033 12.806
190 HB3 ALA 30 HB3 ALA 30 6.865 -0.351 12.543
191 H ARG 31 HN ARG 31 6.230 -1.229 9.815
192 HA ARG 31 HA ARG 31 8.932 -2.226 9.234
193 HB2 ARG 31 HB2 ARG 31 7.929 -4.458 9.190
194 HB3 ARG 31 HB1 ARG 31 7.607 -3.644 10.715
195 HG2 ARG 31 HG2 ARG 31 5.448 -3.010 9.053
196 HG3 ARG 31 HG1 ARG 31 5.766 -4.727 8.799
197 HD2 ARG 31 HD2 ARG 31 5.478 -3.450 11.513
198 HD3 ARG 31 HD1 ARG 31 4.150 -4.216 10.643
199 HE ARG 31 HE ARG 31 6.201 -5.523 12.116
200 HH11 ARG 31 HH11 ARG 31 4.167 -5.853 9.298
201 HH12 ARG 31 HH12 ARG 31 4.212 -7.585 9.315
202 HH21 ARG 31 HH21 ARG 31 6.260 -7.799 12.139
203 HH22 ARG 31 HH22 ARG 31 5.400 -8.690 10.927
204 HA PRO 32 HA PRO 32 7.335 -1.323 5.025
205 HB2 PRO 32 HB2 PRO 32 9.667 -0.488 3.985
206 HB3 PRO 32 HB1 PRO 32 8.668 0.570 4.990
207 HG2 PRO 32 HG2 PRO 32 11.102 -1.006 5.737
208 HG3 PRO 32 HG1 PRO 32 10.674 0.661 6.167
209 HD2 PRO 32 HD2 PRO 32 10.308 -1.470 7.839
210 HD3 PRO 32 HD1 PRO 32 9.308 -0.004 7.885
211 H HIS 33 HN HIS 33 6.998 -3.563 4.652
212 HA HIS 33 HA HIS 33 8.976 -4.759 2.940
213 HB2 HIS 33 HB2 HIS 33 8.300 -6.015 5.603
214 HB3 HIS 33 HB1 HIS 33 9.010 -6.915 4.268
215 HD1 HIS 33 HD1 HIS 33 11.409 -5.891 3.420
216 HD2 HIS 33 HD2 HIS 33 10.120 -4.835 7.227
217 HE1 HIS 33 HE1 HIS 33 13.460 -5.065 4.619
218 HE2 HIS 33 HE2 HIS 33 12.643 -4.370 6.899
219 H SER 34 HN SER 34 6.783 -4.067 1.893
220 HA SER 34 HA SER 34 5.389 -6.493 1.309
221 HB2 SER 34 HB2 SER 34 4.142 -4.398 3.009
222 HB3 SER 34 HB1 SER 34 3.133 -5.132 1.762
223 HG SER 34 HG SER 34 3.843 -7.197 2.677
224 H ASP 35 HN ASP 35 4.490 -6.471 -0.693
225 HA ASP 35 HA ASP 35 5.184 -4.313 -2.417
226 HB2 ASP 35 HB2 ASP 35 4.065 -7.029 -2.715
227 HB3 ASP 35 HB1 ASP 35 3.604 -5.878 -3.966
228 H PHE 36 HN PHE 36 2.218 -5.440 -0.905
229 HA PHE 36 HA PHE 36 0.365 -4.023 -2.425
230 HB2 PHE 36 HB2 PHE 36 -1.113 -4.150 -0.431
231 HB3 PHE 36 HB1 PHE 36 -0.375 -5.691 -0.849
232 HD1 PHE 36 HD2 PHE 36 0.237 -2.734 1.344
233 HD2 PHE 36 HD1 PHE 36 0.543 -6.949 0.834
234 HE1 PHE 36 HE2 PHE 36 1.067 -2.950 3.650
235 HE2 PHE 36 HE1 PHE 36 1.372 -7.171 3.140
236 HZ PHE 36 HZ PHE 36 1.635 -5.169 4.551
237 H CYS 37 HN CYS 37 2.568 -2.909 0.018
238 HA CYS 37 HA CYS 37 1.233 -0.397 0.434
239 HB2 CYS 37 HB2 CYS 37 3.654 -1.735 1.446
240 HB3 CYS 37 HB1 CYS 37 3.787 0.015 1.319
241 H LEU 38 HN LEU 38 3.970 -1.558 -1.467
242 HA LEU 38 HA LEU 38 4.802 0.965 -2.430
243 HB2 LEU 38 HB2 LEU 38 5.239 -1.871 -3.239
244 HB3 LEU 38 HB1 LEU 38 5.659 -0.610 -4.384
245 HG LEU 38 HG LEU 38 7.607 -1.299 -3.093
246 HD11 LEU 38 HD11 LEU 38 6.900 1.230 -3.665
247 HD12 LEU 38 HD12 LEU 38 8.438 0.789 -2.922
248 HD13 LEU 38 HD13 LEU 38 7.103 1.356 -1.918
249 HD21 LEU 38 HD21 LEU 38 5.937 -1.686 -1.022
250 HD22 LEU 38 HD22 LEU 38 6.612 -0.117 -0.581
251 HD23 LEU 38 HD23 LEU 38 7.682 -1.493 -0.845
252 H GLY 39 HN GLY 39 2.217 -1.169 -3.305
253 HA2 GLY 39 HA2 GLY 39 1.776 0.081 -5.887
254 HA3 GLY 39 HA1 GLY 39 0.802 -1.186 -5.155
255 H CYS 40 HN CYS 40 0.596 0.380 -2.626
256 HA CYS 40 HA CYS 40 -1.852 1.655 -3.143
257 HB2 CYS 40 HB2 CYS 40 -1.269 0.787 -0.931
258 HB3 CYS 40 HB1 CYS 40 0.021 1.976 -0.788
259 H ALA 41 HN ALA 41 1.434 2.840 -3.009
260 HA ALA 41 HA ALA 41 0.700 5.605 -3.113
261 HB1 ALA 41 HB1 ALA 41 2.745 5.674 -2.228
262 HB2 ALA 41 HB2 ALA 41 3.349 5.456 -3.870
263 HB3 ALA 41 HB3 ALA 41 3.136 4.058 -2.815
264 H ALA 42 HN ALA 42 -0.255 6.358 -4.906
265 HA ALA 42 HA ALA 42 -0.076 5.250 -7.464
266 HB1 ALA 42 HB1 ALA 42 -1.523 6.867 -8.083
267 HB2 ALA 42 HB2 ALA 42 -0.583 8.151 -7.322
268 HB3 ALA 42 HB3 ALA 42 -1.639 7.132 -6.343
269 H ALA 43 HN ALA 43 1.424 5.333 -9.003
270 HA ALA 43 HA ALA 43 3.496 7.422 -8.831
271 HB1 ALA 43 HB1 ALA 43 4.874 5.501 -10.042
272 HB2 ALA 43 HB2 ALA 43 3.749 4.485 -9.140
273 HB3 ALA 43 HB3 ALA 43 4.782 5.630 -8.285
274 HA PRO 44 HA PRO 44 1.736 8.422 -12.866
275 HB2 PRO 44 HB2 PRO 44 4.182 10.109 -12.951
276 HB3 PRO 44 HB1 PRO 44 2.500 10.548 -13.258
277 HG2 PRO 44 HG2 PRO 44 3.702 11.263 -10.989
278 HG3 PRO 44 HG1 PRO 44 2.003 10.756 -11.004
279 HD2 PRO 44 HD2 PRO 44 4.425 9.247 -10.120
280 HD3 PRO 44 HD1 PRO 44 2.788 9.256 -9.434
281 HA PRO 45 HA PRO 45 5.732 7.167 -15.229
282 HB2 PRO 45 HB2 PRO 45 7.929 6.450 -13.848
283 HB3 PRO 45 HB1 PRO 45 7.577 8.135 -14.247
284 HG2 PRO 45 HG2 PRO 45 7.140 6.664 -11.679
285 HG3 PRO 45 HG1 PRO 45 7.770 8.302 -11.937
286 HD2 PRO 45 HD2 PRO 45 5.193 7.774 -11.216
287 HD3 PRO 45 HD1 PRO 45 5.673 9.205 -12.147
288 H ALA 46 HN ALA 46 4.373 5.546 -12.597
289 HA ALA 46 HA ALA 46 5.217 2.934 -13.668
290 HB1 ALA 46 HB1 ALA 46 4.311 3.597 -10.868
291 HB2 ALA 46 HB2 ALA 46 5.971 3.284 -11.375
292 HB3 ALA 46 HB3 ALA 46 4.767 1.998 -11.454
293 HA PRO 47 HA PRO 47 0.630 3.442 -14.394
294 HB2 PRO 47 HB2 PRO 47 0.644 2.848 -17.028
295 HB3 PRO 47 HB1 PRO 47 0.953 4.481 -16.425
296 HG2 PRO 47 HG2 PRO 47 2.902 2.391 -17.319
297 HG3 PRO 47 HG1 PRO 47 2.889 4.131 -17.667
298 HD2 PRO 47 HD2 PRO 47 4.471 3.010 -15.759
299 HD3 PRO 47 HD1 PRO 47 3.845 4.667 -15.647
300 H PHE 48 HN PHE 48 -0.732 1.745 -15.817
301 HA PHE 48 HA PHE 48 0.091 -0.886 -14.821
302 HB2 PHE 48 HB2 PHE 48 -2.451 0.500 -15.073
303 HB3 PHE 48 HB1 PHE 48 -2.514 -1.103 -15.799
304 HD1 PHE 48 HD1 PHE 48 -1.723 -3.072 -14.375
305 HD2 PHE 48 HD2 PHE 48 -2.641 0.763 -12.774
306 HE1 PHE 48 HE1 PHE 48 -2.000 -4.073 -12.145
307 HE2 PHE 48 HE2 PHE 48 -2.919 -0.232 -10.541
308 HZ PHE 48 HZ PHE 48 -2.598 -2.653 -10.225
309 H ARG 49 HN ARG 49 -1.004 -2.705 -16.296
310 HA ARG 49 HA ARG 49 -0.828 -3.904 -18.220
311 HB2 ARG 49 HB2 ARG 49 -1.024 -1.255 -19.656
312 HB3 ARG 49 HB1 ARG 49 -1.472 -2.841 -20.270
313 HG2 ARG 49 HG2 ARG 49 -2.835 -1.736 -17.854
314 HG3 ARG 49 HG1 ARG 49 -3.312 -1.208 -19.469
315 HD2 ARG 49 HD2 ARG 49 -4.338 -3.147 -19.923
316 HD3 ARG 49 HD1 ARG 49 -3.035 -4.105 -19.219
317 HE ARG 49 HE ARG 49 -4.198 -4.190 -17.242
318 HH11 ARG 49 HH11 ARG 49 -5.646 -1.790 -19.322
319 HH12 ARG 49 HH12 ARG 49 -7.036 -1.575 -18.313
320 HH21 ARG 49 HH21 ARG 49 -6.026 -3.910 -15.916
321 HH22 ARG 49 HH22 ARG 49 -7.253 -2.778 -16.380
322 H LEU 50 HN LEU 50 0.369 -3.191 -20.716
323 HA LEU 50 HA LEU 50 2.377 -3.092 -21.773
324 HB2 LEU 50 HB2 LEU 50 2.694 -1.274 -19.523
325 HB3 LEU 50 HB1 LEU 50 4.212 -2.020 -19.982
326 HG LEU 50 HG LEU 50 2.397 -0.488 -21.847
327 HD11 LEU 50 HD11 LEU 50 5.093 0.501 -21.200
328 HD12 LEU 50 HD12 LEU 50 3.903 0.609 -19.902
329 HD13 LEU 50 HD13 LEU 50 3.588 1.382 -21.456
330 HD21 LEU 50 HD21 LEU 50 4.833 -2.119 -22.228
331 HD22 LEU 50 HD22 LEU 50 4.766 -0.581 -23.089
332 HD23 LEU 50 HD23 LEU 50 3.502 -1.785 -23.337
333 H LEU 51 HN LEU 51 4.455 -4.149 -21.836
334 HA LEU 51 HA LEU 51 4.463 -6.672 -20.661
335 HB2 LEU 51 HB2 LEU 51 5.913 -5.414 -22.614
336 HB3 LEU 51 HB1 LEU 51 7.118 -5.631 -21.359
337 HG LEU 51 HG LEU 51 6.444 -8.084 -21.322
338 HD11 LEU 51 HD11 LEU 51 4.326 -7.969 -22.427
339 HD12 LEU 51 HD12 LEU 51 5.429 -8.896 -23.444
340 HD13 LEU 51 HD13 LEU 51 5.054 -7.222 -23.850
341 HD21 LEU 51 HD21 LEU 51 7.578 -8.338 -23.733
342 HD22 LEU 51 HD22 LEU 51 8.480 -7.881 -22.288
343 HD23 LEU 51 HD23 LEU 51 7.943 -6.641 -23.420
344 H TRP 52 HN TRP 52 6.545 -7.464 -19.433
345 HA TRP 52 HA TRP 52 6.377 -6.512 -16.817
346 HB2 TRP 52 HB2 TRP 52 7.593 -8.664 -18.101
347 HB3 TRP 52 HB1 TRP 52 8.933 -7.786 -17.371
348 HD1 TRP 52 HD1 TRP 52 9.515 -8.973 -15.185
349 HE1 TRP 52 HE1 TRP 52 8.195 -9.905 -13.181
350 HE3 TRP 52 HE3 TRP 52 4.764 -8.152 -16.887
351 HZ2 TRP 52 HZ2 TRP 52 5.498 -10.248 -12.424
352 HZ3 TRP 52 HZ3 TRP 52 2.870 -8.812 -15.461
353 HH2 TRP 52 HH2 TRP 52 3.231 -9.838 -13.276
354 HA PRO 53 HA PRO 53 10.542 -4.197 -17.463
355 HB2 PRO 53 HB2 PRO 53 11.551 -3.976 -19.959
356 HB3 PRO 53 HB1 PRO 53 11.897 -5.361 -18.917
357 HG2 PRO 53 HG2 PRO 53 9.916 -5.117 -21.149
358 HG3 PRO 53 HG1 PRO 53 11.019 -6.454 -20.773
359 HD2 PRO 53 HD2 PRO 53 8.386 -6.475 -20.102
360 HD3 PRO 53 HD1 PRO 53 9.630 -7.309 -19.151
Start of MODEL 13
1 H1 GLU 1 HT1 GLU 1 -23.589 -9.820 -11.363
2 H2 GLU 1 HT2 GLU 1 -22.214 -8.995 -10.753
3 H3 GLU 1 HT3 GLU 1 -22.174 -10.698 -10.957
4 HA GLU 1 HA GLU 1 -20.997 -9.893 -12.725
5 HB2 GLU 1 HB2 GLU 1 -23.822 -10.677 -13.242
6 HB3 GLU 1 HB1 GLU 1 -22.886 -10.094 -14.611
7 HG2 GLU 1 HG2 GLU 1 -21.540 -12.104 -12.950
8 HG3 GLU 1 HG1 GLU 1 -22.981 -12.667 -13.796
9 H GLN 2 HN GLN 2 -23.810 -7.942 -12.018
10 HA GLN 2 HA GLN 2 -22.673 -5.786 -13.676
11 HB2 GLN 2 HB2 GLN 2 -25.104 -6.952 -14.084
12 HB3 GLN 2 HB1 GLN 2 -25.544 -5.614 -13.032
13 HG2 GLN 2 HG2 GLN 2 -23.740 -4.779 -15.133
14 HG3 GLN 2 HG1 GLN 2 -25.200 -5.531 -15.775
15 HE21 GLN 2 HE21 GLN 2 -23.882 -2.854 -14.026
16 HE22 GLN 2 HE22 GLN 2 -25.311 -1.883 -14.019
17 H ALA 3 HN ALA 3 -22.088 -6.392 -10.899
18 HA ALA 3 HA ALA 3 -23.500 -4.408 -9.330
19 HB1 ALA 3 HB1 ALA 3 -22.348 -6.747 -8.652
20 HB2 ALA 3 HB2 ALA 3 -22.648 -5.436 -7.511
21 HB3 ALA 3 HB3 ALA 3 -21.051 -5.627 -8.234
22 HA PRO 4 HA PRO 4 -20.925 -0.862 -9.663
23 HB2 PRO 4 HB2 PRO 4 -20.262 -1.129 -6.767
24 HB3 PRO 4 HB1 PRO 4 -20.892 0.264 -7.654
25 HG2 PRO 4 HG2 PRO 4 -22.488 -1.175 -6.084
26 HG3 PRO 4 HG1 PRO 4 -23.068 -0.542 -7.636
27 HD2 PRO 4 HD2 PRO 4 -22.268 -3.322 -6.901
28 HD3 PRO 4 HD1 PRO 4 -23.547 -2.768 -8.000
29 H GLY 5 HN GLY 5 -19.389 -2.990 -7.232
30 HA2 GLY 5 HA2 GLY 5 -17.051 -3.267 -8.946
31 HA3 GLY 5 HA1 GLY 5 -16.793 -2.417 -7.429
32 H THR 6 HN THR 6 -16.410 -3.572 -5.635
33 HA THR 6 HA THR 6 -15.983 -5.356 -4.290
34 HB THR 6 HB THR 6 -18.132 -6.856 -5.773
35 HG1 THR 6 HG1 THR 6 -19.638 -5.777 -4.523
36 HG21 THR 6 HG21 THR 6 -16.935 -8.035 -3.961
37 HG22 THR 6 HG22 THR 6 -18.656 -7.818 -3.647
38 HG23 THR 6 HG23 THR 6 -17.476 -6.785 -2.840
39 H ALA 7 HN ALA 7 -14.609 -5.113 -6.864
40 HA ALA 7 HA ALA 7 -13.833 -7.935 -7.188
41 HB1 ALA 7 HB1 ALA 7 -14.456 -7.831 -9.312
42 HB2 ALA 7 HB2 ALA 7 -13.155 -6.669 -9.576
43 HB3 ALA 7 HB3 ALA 7 -14.782 -6.102 -9.193
44 HA PRO 8 HA PRO 8 -9.830 -5.347 -7.912
45 HB2 PRO 8 HB2 PRO 8 -10.545 -2.560 -7.353
46 HB3 PRO 8 HB1 PRO 8 -9.721 -3.242 -8.757
47 HG2 PRO 8 HG2 PRO 8 -12.234 -2.277 -8.896
48 HG3 PRO 8 HG1 PRO 8 -11.688 -3.647 -9.881
49 HD2 PRO 8 HD2 PRO 8 -13.313 -3.651 -7.363
50 HD3 PRO 8 HD1 PRO 8 -13.520 -4.613 -8.840
51 H CYS 9 HN CYS 9 -10.713 -6.460 -5.584
52 HA CYS 9 HA CYS 9 -10.313 -6.584 -3.348
53 HB2 CYS 9 HB2 CYS 9 -7.996 -5.966 -4.319
54 HB3 CYS 9 HB1 CYS 9 -8.307 -4.365 -3.658
55 H SER 10 HN SER 10 -10.426 -5.385 -1.266
56 HA SER 10 HA SER 10 -12.620 -3.655 -1.209
57 HB2 SER 10 HB2 SER 10 -11.904 -5.026 0.718
58 HB3 SER 10 HB1 SER 10 -10.479 -4.003 0.905
59 HG SER 10 HG SER 10 -12.369 -3.494 2.259
60 H ARG 11 HN ARG 11 -12.813 -1.435 -0.805
61 HA ARG 11 HA ARG 11 -10.937 0.207 -2.137
62 HB2 ARG 11 HB2 ARG 11 -13.557 0.473 -1.378
63 HB3 ARG 11 HB1 ARG 11 -12.749 1.570 -0.266
64 HG2 ARG 11 HG2 ARG 11 -12.373 1.642 -3.249
65 HG3 ARG 11 HG1 ARG 11 -13.559 2.617 -2.379
66 HD2 ARG 11 HD2 ARG 11 -11.379 3.210 -0.947
67 HD3 ARG 11 HD1 ARG 11 -10.611 2.857 -2.493
68 HE ARG 11 HE ARG 11 -12.851 4.649 -2.694
69 HH11 ARG 11 HH11 ARG 11 -9.418 4.412 -2.111
70 HH12 ARG 11 HH12 ARG 11 -9.096 6.042 -2.598
71 HH21 ARG 11 HH21 ARG 11 -12.429 6.792 -3.335
72 HH22 ARG 11 HH22 ARG 11 -10.806 7.394 -3.292
73 H GLY 12 HN GLY 12 -9.349 1.539 -1.404
74 HA2 GLY 12 HA2 GLY 12 -8.144 2.755 0.227
75 HA3 GLY 12 HA1 GLY 12 -8.960 1.834 1.481
76 H SER 13 HN SER 13 -8.455 -0.760 0.440
77 HA SER 13 HA SER 13 -5.782 -1.125 1.418
78 HB2 SER 13 HB2 SER 13 -6.230 -3.471 1.297
79 HB3 SER 13 HB1 SER 13 -7.722 -2.700 1.838
80 HG SER 13 HG SER 13 -7.992 -4.282 0.139
81 H SER 14 HN SER 14 -4.763 -3.190 -0.051
82 HA SER 14 HA SER 14 -4.676 -2.487 -2.833
83 HB2 SER 14 HB2 SER 14 -2.932 -1.111 -1.222
84 HB3 SER 14 HB1 SER 14 -1.952 -2.479 -1.744
85 HG SER 14 HG SER 14 -2.172 -1.861 -3.824
86 H TRP 15 HN TRP 15 -3.788 -4.083 -4.135
87 HA TRP 15 HA TRP 15 -3.705 -6.704 -2.962
88 HB2 TRP 15 HB2 TRP 15 -4.739 -6.696 -5.051
89 HB3 TRP 15 HB1 TRP 15 -3.556 -5.597 -5.746
90 HD1 TRP 15 HD1 TRP 15 -1.670 -6.657 -7.146
91 HE1 TRP 15 HE1 TRP 15 -0.912 -9.063 -7.654
92 HE3 TRP 15 HE3 TRP 15 -4.624 -9.169 -3.813
93 HZ2 TRP 15 HZ2 TRP 15 -1.489 -11.672 -6.760
94 HZ3 TRP 15 HZ3 TRP 15 -4.462 -11.619 -3.705
95 HH2 TRP 15 HH2 TRP 15 -2.925 -12.846 -5.151
96 H SER 16 HN SER 16 -1.917 -8.235 -3.393
97 HA SER 16 HA SER 16 0.693 -6.948 -3.567
98 HB2 SER 16 HB2 SER 16 -0.235 -7.684 -1.166
99 HB3 SER 16 HB1 SER 16 0.435 -9.231 -1.687
100 HG SER 16 HG SER 16 1.740 -7.188 -0.681
101 H ALA 17 HN ALA 17 2.302 -8.136 -4.549
102 HA ALA 17 HA ALA 17 1.393 -10.608 -5.862
103 HB1 ALA 17 HB1 ALA 17 2.497 -10.010 -7.746
104 HB2 ALA 17 HB2 ALA 17 3.804 -9.220 -6.865
105 HB3 ALA 17 HB3 ALA 17 2.262 -8.392 -7.085
106 H ASP 18 HN ASP 18 3.732 -9.280 -3.699
107 HA ASP 18 HA ASP 18 5.860 -11.031 -3.924
108 HB2 ASP 18 HB2 ASP 18 5.579 -8.986 -2.384
109 HB3 ASP 18 HB1 ASP 18 4.828 -10.106 -1.249
110 H LEU 19 HN LEU 19 2.710 -11.539 -2.500
111 HA LEU 19 HA LEU 19 3.271 -14.386 -2.325
112 HB2 LEU 19 HB2 LEU 19 2.183 -14.431 -0.024
113 HB3 LEU 19 HB1 LEU 19 3.840 -13.867 -0.118
114 HG LEU 19 HG LEU 19 2.061 -11.626 -0.367
115 HD11 LEU 19 HD11 LEU 19 1.715 -13.086 2.231
116 HD12 LEU 19 HD12 LEU 19 0.571 -13.259 0.901
117 HD13 LEU 19 HD13 LEU 19 0.842 -11.676 1.630
118 HD21 LEU 19 HD21 LEU 19 4.225 -12.520 1.498
119 HD22 LEU 19 HD22 LEU 19 3.295 -11.059 1.830
120 HD23 LEU 19 HD23 LEU 19 4.227 -11.189 0.339
121 H ASP 20 HN ASP 20 1.528 -12.422 -3.826
122 HA ASP 20 HA ASP 20 -0.638 -12.168 -4.523
123 HB2 ASP 20 HB2 ASP 20 -0.076 -15.080 -4.341
124 HB3 ASP 20 HB1 ASP 20 -1.752 -14.609 -4.610
125 H LYS 21 HN LYS 21 -1.268 -10.983 -2.616
126 HA LYS 21 HA LYS 21 -3.626 -12.007 -1.445
127 HB2 LYS 21 HB2 LYS 21 -1.151 -12.506 -0.024
128 HB3 LYS 21 HB1 LYS 21 -2.234 -11.504 0.932
129 HG2 LYS 21 HG2 LYS 21 -2.851 -14.206 -0.242
130 HG3 LYS 21 HG1 LYS 21 -2.588 -13.824 1.460
131 HD2 LYS 21 HD2 LYS 21 -4.735 -13.299 1.710
132 HD3 LYS 21 HD1 LYS 21 -4.626 -12.108 0.412
133 HE2 LYS 21 HE2 LYS 21 -4.762 -14.938 -0.420
134 HE3 LYS 21 HE1 LYS 21 -6.218 -14.276 0.322
135 HZ1 LYS 21 HZ1 LYS 21 -5.663 -12.331 -1.366
136 HZ2 LYS 21 HZ2 LYS 21 -6.600 -13.668 -1.808
137 HZ3 LYS 21 HZ3 LYS 21 -4.962 -13.611 -2.222
138 H CYS 22 HN CYS 22 -4.908 -10.353 -0.884
139 HA CYS 22 HA CYS 22 -4.015 -7.684 -1.283
140 HB2 CYS 22 HB2 CYS 22 -6.557 -9.043 -0.748
141 HB3 CYS 22 HB1 CYS 22 -6.450 -7.445 -0.020
142 H MET 23 HN MET 23 -4.279 -5.934 0.307
143 HA MET 23 HA MET 23 -4.348 -6.498 3.087
144 HB2 MET 23 HB2 MET 23 -1.834 -6.823 1.831
145 HB3 MET 23 HB1 MET 23 -1.749 -5.328 2.754
146 HG2 MET 23 HG2 MET 23 -1.821 -6.384 4.733
147 HG3 MET 23 HG1 MET 23 -2.948 -7.613 4.160
148 HE1 MET 23 HE1 MET 23 0.594 -8.586 5.762
149 HE2 MET 23 HE2 MET 23 -0.739 -9.735 5.641
150 HE3 MET 23 HE3 MET 23 -1.052 -8.069 6.129
151 H ASP 24 HN ASP 24 -4.706 -4.673 4.276
152 HA ASP 24 HA ASP 24 -5.553 -2.353 2.951
153 HB2 ASP 24 HB2 ASP 24 -5.212 -3.209 5.755
154 HB3 ASP 24 HB1 ASP 24 -5.145 -1.468 5.495
155 H CYS 25 HN CYS 25 -4.714 -0.152 3.245
156 HA CYS 25 HA CYS 25 -1.965 -0.011 2.509
157 HB2 CYS 25 HB2 CYS 25 -3.718 1.540 1.655
158 HB3 CYS 25 HB1 CYS 25 -3.826 2.252 3.260
159 H ALA 26 HN ALA 26 -3.749 0.482 5.472
160 HA ALA 26 HA ALA 26 -1.534 1.706 6.856
161 HB1 ALA 26 HB1 ALA 26 -3.926 2.208 7.367
162 HB2 ALA 26 HB2 ALA 26 -2.961 1.753 8.772
163 HB3 ALA 26 HB3 ALA 26 -4.065 0.586 8.045
164 H SER 27 HN SER 27 0.188 0.329 6.942
165 HA SER 27 HA SER 27 0.222 -1.658 8.929
166 HB2 SER 27 HB2 SER 27 -0.937 -2.677 6.701
167 HB3 SER 27 HB1 SER 27 0.756 -3.039 6.369
168 HG SER 27 HG SER 27 -0.475 -3.664 8.837
169 H CYS 28 HN CYS 28 1.689 -0.501 5.934
170 HA CYS 28 HA CYS 28 4.331 -1.274 6.781
171 HB2 CYS 28 HB2 CYS 28 3.154 -0.069 4.320
172 HB3 CYS 28 HB1 CYS 28 4.878 0.131 4.612
173 H ARG 29 HN ARG 29 3.474 0.315 8.719
174 HA ARG 29 HA ARG 29 4.636 2.963 8.170
175 HB2 ARG 29 HB2 ARG 29 2.434 2.045 9.962
176 HB3 ARG 29 HB1 ARG 29 3.388 3.437 10.456
177 HG2 ARG 29 HG2 ARG 29 2.713 4.701 8.606
178 HG3 ARG 29 HG1 ARG 29 2.123 3.279 7.743
179 HD2 ARG 29 HD2 ARG 29 0.262 3.063 9.194
180 HD3 ARG 29 HD1 ARG 29 0.928 4.230 10.335
181 HE ARG 29 HE ARG 29 0.657 5.678 8.071
182 HH11 ARG 29 HH11 ARG 29 -1.533 3.636 9.863
183 HH12 ARG 29 HH12 ARG 29 -2.943 4.528 9.401
184 HH21 ARG 29 HH21 ARG 29 -1.197 6.854 7.463
185 HH22 ARG 29 HH22 ARG 29 -2.753 6.355 8.039
186 H ALA 30 HN ALA 30 4.838 0.109 10.137
187 HA ALA 30 HA ALA 30 6.896 1.349 11.822
188 HB1 ALA 30 HB1 ALA 30 5.687 -1.377 12.207
189 HB2 ALA 30 HB2 ALA 30 4.956 0.094 12.850
190 HB3 ALA 30 HB3 ALA 30 6.566 -0.394 13.379
191 H ARG 31 HN ARG 31 6.370 -1.174 9.450
192 HA ARG 31 HA ARG 31 9.225 -1.370 9.019
193 HB2 ARG 31 HB2 ARG 31 7.603 -3.594 10.187
194 HB3 ARG 31 HB1 ARG 31 8.912 -3.982 9.077
195 HG2 ARG 31 HG2 ARG 31 10.125 -4.042 10.965
196 HG3 ARG 31 HG1 ARG 31 10.195 -2.295 10.726
197 HD2 ARG 31 HD2 ARG 31 9.452 -2.272 12.862
198 HD3 ARG 31 HD1 ARG 31 7.887 -2.462 12.074
199 HE ARG 31 HE ARG 31 8.695 -5.013 12.445
200 HH11 ARG 31 HH11 ARG 31 8.432 -2.266 14.581
201 HH12 ARG 31 HH12 ARG 31 8.106 -3.229 15.983
202 HH21 ARG 31 HH21 ARG 31 8.271 -6.282 14.287
203 HH22 ARG 31 HH22 ARG 31 8.017 -5.509 15.817
204 HA PRO 32 HA PRO 32 6.704 -1.452 5.131
205 HB2 PRO 32 HB2 PRO 32 9.305 -0.407 4.151
206 HB3 PRO 32 HB1 PRO 32 7.667 0.182 3.845
207 HG2 PRO 32 HG2 PRO 32 9.308 1.494 5.489
208 HG3 PRO 32 HG1 PRO 32 7.575 1.357 5.842
209 HD2 PRO 32 HD2 PRO 32 9.879 -0.128 7.038
210 HD3 PRO 32 HD1 PRO 32 8.405 0.486 7.817
211 H HIS 33 HN HIS 33 6.590 -3.559 4.582
212 HA HIS 33 HA HIS 33 8.778 -4.694 3.080
213 HB2 HIS 33 HB2 HIS 33 7.938 -5.784 5.749
214 HB3 HIS 33 HB1 HIS 33 8.555 -6.866 4.505
215 HD1 HIS 33 HD1 HIS 33 11.063 -6.640 3.875
216 HD2 HIS 33 HD2 HIS 33 9.839 -4.138 6.958
217 HE1 HIS 33 HE1 HIS 33 13.181 -5.776 4.919
218 HE2 HIS 33 HE2 HIS 33 12.415 -4.334 6.838
219 H SER 34 HN SER 34 6.658 -4.057 1.823
220 HA SER 34 HA SER 34 5.511 -6.482 0.937
221 HB2 SER 34 HB2 SER 34 4.156 -5.227 3.095
222 HB3 SER 34 HB1 SER 34 3.174 -4.988 1.651
223 HG SER 34 HG SER 34 3.188 -7.221 1.327
224 H ASP 35 HN ASP 35 4.370 -6.242 -0.998
225 HA ASP 35 HA ASP 35 5.002 -3.850 -2.439
226 HB2 ASP 35 HB2 ASP 35 4.015 -6.558 -3.108
227 HB3 ASP 35 HB1 ASP 35 3.531 -5.266 -4.204
228 H PHE 36 HN PHE 36 2.163 -5.266 -0.984
229 HA PHE 36 HA PHE 36 0.179 -3.842 -2.333
230 HB2 PHE 36 HB2 PHE 36 -1.294 -4.422 -0.547
231 HB3 PHE 36 HB1 PHE 36 -0.177 -5.766 -0.749
232 HD1 PHE 36 HD2 PHE 36 -0.843 -2.761 1.321
233 HD2 PHE 36 HD1 PHE 36 1.085 -6.544 1.050
234 HE1 PHE 36 HE2 PHE 36 -0.280 -2.642 3.713
235 HE2 PHE 36 HE1 PHE 36 1.647 -6.434 3.441
236 HZ PHE 36 HZ PHE 36 0.965 -4.481 4.776
237 H CYS 37 HN CYS 37 2.057 -2.952 0.541
238 HA CYS 37 HA CYS 37 0.668 -0.478 0.904
239 HB2 CYS 37 HB2 CYS 37 2.563 0.036 2.480
240 HB3 CYS 37 HB1 CYS 37 1.675 -1.439 2.841
241 H LEU 38 HN LEU 38 3.519 -1.507 -0.828
242 HA LEU 38 HA LEU 38 4.610 1.067 -1.294
243 HB2 LEU 38 HB2 LEU 38 5.694 -1.261 -1.575
244 HB3 LEU 38 HB1 LEU 38 4.938 -1.265 -3.157
245 HG LEU 38 HG LEU 38 6.407 1.196 -2.691
246 HD11 LEU 38 HD11 LEU 38 8.067 0.247 -1.476
247 HD12 LEU 38 HD12 LEU 38 8.617 -0.241 -3.080
248 HD13 LEU 38 HD13 LEU 38 7.726 -1.378 -2.069
249 HD21 LEU 38 HD21 LEU 38 7.247 -0.728 -4.757
250 HD22 LEU 38 HD22 LEU 38 6.859 0.987 -4.889
251 HD23 LEU 38 HD23 LEU 38 5.563 -0.209 -4.828
252 H GLY 39 HN GLY 39 1.864 -0.516 -2.541
253 HA2 GLY 39 HA2 GLY 39 1.823 1.228 -4.915
254 HA3 GLY 39 HA1 GLY 39 0.890 -0.247 -4.727
255 H CYS 40 HN CYS 40 0.328 0.701 -1.871
256 HA CYS 40 HA CYS 40 -2.168 1.949 -2.483
257 HB2 CYS 40 HB2 CYS 40 -2.708 1.657 -0.216
258 HB3 CYS 40 HB1 CYS 40 -1.658 0.295 -0.583
259 H ALA 41 HN ALA 41 0.903 3.197 -2.204
260 HA ALA 41 HA ALA 41 -0.059 5.880 -2.116
261 HB1 ALA 41 HB1 ALA 41 1.774 6.098 -0.076
262 HB2 ALA 41 HB2 ALA 41 0.902 4.615 0.318
263 HB3 ALA 41 HB3 ALA 41 0.019 6.127 0.101
264 H ALA 42 HN ALA 42 2.010 7.400 -1.857
265 HA ALA 42 HA ALA 42 3.965 6.356 -3.782
266 HB1 ALA 42 HB1 ALA 42 4.100 8.416 -4.691
267 HB2 ALA 42 HB2 ALA 42 3.983 9.230 -3.130
268 HB3 ALA 42 HB3 ALA 42 2.526 8.629 -3.923
269 H ALA 43 HN ALA 43 6.167 7.677 -3.500
270 HA ALA 43 HA ALA 43 7.501 6.609 -1.329
271 HB1 ALA 43 HB1 ALA 43 8.102 8.694 -3.332
272 HB2 ALA 43 HB2 ALA 43 9.000 7.239 -2.901
273 HB3 ALA 43 HB3 ALA 43 9.108 8.675 -1.883
274 HA PRO 44 HA PRO 44 5.978 9.566 1.741
275 HB2 PRO 44 HB2 PRO 44 6.231 7.996 3.882
276 HB3 PRO 44 HB1 PRO 44 4.949 7.718 2.695
277 HG2 PRO 44 HG2 PRO 44 7.547 6.284 3.051
278 HG3 PRO 44 HG1 PRO 44 5.948 5.627 2.661
279 HD2 PRO 44 HD2 PRO 44 7.958 6.136 0.816
280 HD3 PRO 44 HD1 PRO 44 6.234 5.974 0.429
281 HA PRO 45 HA PRO 45 10.303 10.727 2.630
282 HB2 PRO 45 HB2 PRO 45 9.784 13.343 3.106
283 HB3 PRO 45 HB1 PRO 45 9.939 12.683 1.474
284 HG2 PRO 45 HG2 PRO 45 7.462 13.289 3.044
285 HG3 PRO 45 HG1 PRO 45 7.815 13.623 1.338
286 HD2 PRO 45 HD2 PRO 45 6.311 11.515 2.129
287 HD3 PRO 45 HD1 PRO 45 7.343 11.465 0.686
288 H ALA 46 HN ALA 46 7.475 11.825 4.487
289 HA ALA 46 HA ALA 46 8.816 11.028 6.952
290 HB1 ALA 46 HB1 ALA 46 9.455 13.204 7.188
291 HB2 ALA 46 HB2 ALA 46 7.844 13.304 7.896
292 HB3 ALA 46 HB3 ALA 46 8.108 13.820 6.231
293 HA PRO 47 HA PRO 47 4.790 9.668 8.118
294 HB2 PRO 47 HB2 PRO 47 4.790 10.060 10.804
295 HB3 PRO 47 HB1 PRO 47 5.726 8.782 10.020
296 HG2 PRO 47 HG2 PRO 47 6.625 11.468 10.987
297 HG3 PRO 47 HG1 PRO 47 7.426 9.894 11.153
298 HD2 PRO 47 HD2 PRO 47 8.152 11.707 9.277
299 HD3 PRO 47 HD1 PRO 47 8.269 9.956 9.007
300 H PHE 48 HN PHE 48 3.252 10.998 7.265
301 HA PHE 48 HA PHE 48 2.695 13.548 8.593
302 HB2 PHE 48 HB2 PHE 48 2.942 13.365 6.065
303 HB3 PHE 48 HB1 PHE 48 1.409 12.503 6.071
304 HD1 PHE 48 HD1 PHE 48 2.868 15.659 7.431
305 HD2 PHE 48 HD2 PHE 48 -0.485 13.723 5.663
306 HE1 PHE 48 HE1 PHE 48 1.668 17.805 7.368
307 HE2 PHE 48 HE2 PHE 48 -1.692 15.867 5.596
308 HZ PHE 48 HZ PHE 48 -0.615 17.911 6.449
309 H ARG 49 HN ARG 49 0.875 13.930 9.731
310 HA ARG 49 HA ARG 49 -0.786 11.656 10.398
311 HB2 ARG 49 HB2 ARG 49 -0.059 14.157 11.639
312 HB3 ARG 49 HB1 ARG 49 -1.806 13.959 11.653
313 HG2 ARG 49 HG2 ARG 49 0.162 11.925 12.679
314 HG3 ARG 49 HG1 ARG 49 -0.714 13.086 13.678
315 HD2 ARG 49 HD2 ARG 49 -2.840 12.114 12.759
316 HD3 ARG 49 HD1 ARG 49 -1.861 10.846 12.024
317 HE ARG 49 HE ARG 49 -1.378 11.118 14.829
318 HH11 ARG 49 HH11 ARG 49 -3.524 9.719 12.460
319 HH12 ARG 49 HH12 ARG 49 -4.053 8.445 13.506
320 HH21 ARG 49 HH21 ARG 49 -2.074 9.444 16.209
321 HH22 ARG 49 HH22 ARG 49 -3.230 8.289 15.635
322 H LEU 50 HN LEU 50 -3.238 12.465 10.831
323 HA LEU 50 HA LEU 50 -4.315 12.822 8.199
324 HB2 LEU 50 HB2 LEU 50 -5.377 12.218 10.896
325 HB3 LEU 50 HB1 LEU 50 -6.487 12.981 9.775
326 HG LEU 50 HG LEU 50 -4.988 10.624 8.776
327 HD11 LEU 50 HD11 LEU 50 -6.001 10.323 11.235
328 HD12 LEU 50 HD12 LEU 50 -6.000 9.038 10.026
329 HD13 LEU 50 HD13 LEU 50 -7.451 10.008 10.282
330 HD21 LEU 50 HD21 LEU 50 -6.428 11.293 7.162
331 HD22 LEU 50 HD22 LEU 50 -7.553 12.018 8.310
332 HD23 LEU 50 HD23 LEU 50 -7.542 10.271 8.070
333 H LEU 51 HN LEU 51 -5.216 14.592 7.300
334 HA LEU 51 HA LEU 51 -5.177 17.067 8.894
335 HB2 LEU 51 HB2 LEU 51 -3.846 16.523 6.554
336 HB3 LEU 51 HB1 LEU 51 -5.278 17.355 5.980
337 HG LEU 51 HG LEU 51 -4.750 19.247 7.498
338 HD11 LEU 51 HD11 LEU 51 -2.581 17.397 8.286
339 HD12 LEU 51 HD12 LEU 51 -3.460 18.592 9.239
340 HD13 LEU 51 HD13 LEU 51 -2.167 19.107 8.155
341 HD21 LEU 51 HD21 LEU 51 -3.421 20.231 5.952
342 HD22 LEU 51 HD22 LEU 51 -3.793 18.765 5.044
343 HD23 LEU 51 HD23 LEU 51 -2.271 18.894 5.927
344 H TRP 52 HN TRP 52 -6.614 18.664 7.092
345 HA TRP 52 HA TRP 52 -9.116 17.472 6.425
346 HB2 TRP 52 HB2 TRP 52 -8.826 18.906 9.026
347 HB3 TRP 52 HB1 TRP 52 -10.311 19.137 8.110
348 HD1 TRP 52 HD1 TRP 52 -9.399 17.272 10.905
349 HE1 TRP 52 HE1 TRP 52 -10.571 14.985 11.062
350 HE3 TRP 52 HE3 TRP 52 -10.959 16.822 6.056
351 HZ2 TRP 52 HZ2 TRP 52 -11.969 13.224 9.357
352 HZ3 TRP 52 HZ3 TRP 52 -12.206 14.806 5.401
353 HH2 TRP 52 HH2 TRP 52 -12.700 13.044 7.019
354 HA PRO 53 HA PRO 53 -9.461 22.206 5.579
355 HB2 PRO 53 HB2 PRO 53 -7.449 23.809 6.475
356 HB3 PRO 53 HB1 PRO 53 -8.909 23.469 7.413
357 HG2 PRO 53 HG2 PRO 53 -6.194 22.223 7.616
358 HG3 PRO 53 HG1 PRO 53 -7.283 22.751 8.913
359 HD2 PRO 53 HD2 PRO 53 -7.062 20.162 8.198
360 HD3 PRO 53 HD1 PRO 53 -8.598 20.858 8.751
Start of MODEL 14
1 H1 GLU 1 HT1 GLU 1 -9.556 -2.306 11.111
2 H2 GLU 1 HT2 GLU 1 -9.242 -3.420 12.378
3 H3 GLU 1 HT3 GLU 1 -8.121 -2.165 12.036
4 HA GLU 1 HA GLU 1 -9.554 -1.838 14.008
5 HB2 GLU 1 HB2 GLU 1 -9.365 0.070 11.688
6 HB3 GLU 1 HB1 GLU 1 -10.085 0.563 13.214
7 HG2 GLU 1 HG2 GLU 1 -8.036 0.165 14.383
8 HG3 GLU 1 HG1 GLU 1 -7.303 -0.548 12.948
9 H GLN 2 HN GLN 2 -11.349 -3.372 13.887
10 HA GLN 2 HA GLN 2 -13.581 -3.801 13.970
11 HB2 GLN 2 HB2 GLN 2 -13.570 -1.298 14.673
12 HB3 GLN 2 HB1 GLN 2 -14.190 -1.008 13.055
13 HG2 GLN 2 HG2 GLN 2 -15.700 -3.113 14.209
14 HG3 GLN 2 HG1 GLN 2 -15.599 -1.799 15.379
15 HE21 GLN 2 HE21 GLN 2 -15.589 0.405 13.809
16 HE22 GLN 2 HE22 GLN 2 -17.073 0.526 12.932
17 H ALA 3 HN ALA 3 -13.377 -1.413 11.324
18 HA ALA 3 HA ALA 3 -14.025 -1.512 9.144
19 HB1 ALA 3 HB1 ALA 3 -12.138 -2.926 8.854
20 HB2 ALA 3 HB2 ALA 3 -13.470 -3.656 7.958
21 HB3 ALA 3 HB3 ALA 3 -12.995 -4.315 9.522
22 HA PRO 4 HA PRO 4 -18.209 -3.153 10.106
23 HB2 PRO 4 HB2 PRO 4 -19.517 -1.217 8.701
24 HB3 PRO 4 HB1 PRO 4 -18.999 -1.017 10.379
25 HG2 PRO 4 HG2 PRO 4 -17.690 -0.060 7.863
26 HG3 PRO 4 HG1 PRO 4 -17.910 0.790 9.404
27 HD2 PRO 4 HD2 PRO 4 -15.564 -0.352 8.712
28 HD3 PRO 4 HD1 PRO 4 -16.123 -0.283 10.395
29 H GLY 5 HN GLY 5 -16.648 -2.294 7.096
30 HA2 GLY 5 HA2 GLY 5 -18.167 -4.433 5.772
31 HA3 GLY 5 HA1 GLY 5 -18.092 -2.850 5.014
32 H THR 6 HN THR 6 -16.805 -5.840 4.917
33 HA THR 6 HA THR 6 -14.064 -5.032 4.348
34 HB THR 6 HB THR 6 -14.421 -7.085 5.632
35 HG1 THR 6 HG1 THR 6 -12.616 -7.006 4.248
36 HG21 THR 6 HG21 THR 6 -16.085 -8.456 5.157
37 HG22 THR 6 HG22 THR 6 -15.198 -8.954 3.716
38 HG23 THR 6 HG23 THR 6 -16.381 -7.650 3.617
39 H ALA 7 HN ALA 7 -13.040 -5.412 2.342
40 HA ALA 7 HA ALA 7 -14.569 -6.257 0.056
41 HB1 ALA 7 HB1 ALA 7 -14.950 -3.663 0.670
42 HB2 ALA 7 HB2 ALA 7 -14.992 -4.295 -0.975
43 HB3 ALA 7 HB3 ALA 7 -13.526 -3.532 -0.360
44 HA PRO 8 HA PRO 8 -10.548 -7.254 -1.447
45 HB2 PRO 8 HB2 PRO 8 -10.855 -7.048 -4.131
46 HB3 PRO 8 HB1 PRO 8 -11.584 -8.351 -3.184
47 HG2 PRO 8 HG2 PRO 8 -12.828 -5.822 -4.199
48 HG3 PRO 8 HG1 PRO 8 -13.482 -7.471 -4.202
49 HD2 PRO 8 HD2 PRO 8 -14.196 -5.618 -2.357
50 HD3 PRO 8 HD1 PRO 8 -14.125 -7.354 -1.991
51 H CYS 9 HN CYS 9 -10.160 -4.910 -0.418
52 HA CYS 9 HA CYS 9 -8.914 -3.010 -0.497
53 HB2 CYS 9 HB2 CYS 9 -8.000 -4.213 -3.116
54 HB3 CYS 9 HB1 CYS 9 -7.268 -2.797 -2.367
55 H SER 10 HN SER 10 -9.911 -1.127 -0.698
56 HA SER 10 HA SER 10 -10.566 -0.074 -3.299
57 HB2 SER 10 HB2 SER 10 -12.757 -0.628 -1.286
58 HB3 SER 10 HB1 SER 10 -12.950 0.385 -2.716
59 HG SER 10 HG SER 10 -12.230 -1.547 -3.911
60 H ARG 11 HN ARG 11 -10.944 0.321 0.209
61 HA ARG 11 HA ARG 11 -10.327 3.183 -0.138
62 HB2 ARG 11 HB2 ARG 11 -12.584 2.081 1.020
63 HB3 ARG 11 HB1 ARG 11 -11.571 2.459 2.407
64 HG2 ARG 11 HG2 ARG 11 -11.431 4.765 1.742
65 HG3 ARG 11 HG1 ARG 11 -12.296 4.422 0.242
66 HD2 ARG 11 HD2 ARG 11 -13.993 3.438 2.167
67 HD3 ARG 11 HD1 ARG 11 -13.317 4.873 2.938
68 HE ARG 11 HE ARG 11 -14.224 5.326 0.249
69 HH11 ARG 11 HH11 ARG 11 -15.171 5.218 3.606
70 HH12 ARG 11 HH12 ARG 11 -16.533 6.264 3.384
71 HH21 ARG 11 HH21 ARG 11 -16.014 6.703 -0.044
72 HH22 ARG 11 HH22 ARG 11 -17.012 7.108 1.313
73 H GLY 12 HN GLY 12 -8.134 3.131 0.137
74 HA2 GLY 12 HA2 GLY 12 -6.214 3.277 1.409
75 HA3 GLY 12 HA1 GLY 12 -7.176 2.884 2.825
76 H SER 13 HN SER 13 -6.519 1.086 -0.177
77 HA SER 13 HA SER 13 -4.995 -0.892 1.309
78 HB2 SER 13 HB2 SER 13 -7.551 -1.598 -0.149
79 HB3 SER 13 HB1 SER 13 -6.401 -2.768 0.496
80 HG SER 13 HG SER 13 -7.870 -0.846 1.983
81 H SER 14 HN SER 14 -4.341 -2.731 -0.292
82 HA SER 14 HA SER 14 -4.208 -2.048 -3.052
83 HB2 SER 14 HB2 SER 14 -2.018 -1.254 -1.250
84 HB3 SER 14 HB1 SER 14 -1.507 -2.121 -2.698
85 HG SER 14 HG SER 14 -3.289 0.073 -2.796
86 H TRP 15 HN TRP 15 -3.234 -3.675 -4.340
87 HA TRP 15 HA TRP 15 -3.382 -6.295 -3.153
88 HB2 TRP 15 HB2 TRP 15 -4.306 -6.301 -5.279
89 HB3 TRP 15 HB1 TRP 15 -3.098 -5.198 -5.923
90 HD1 TRP 15 HD1 TRP 15 -0.972 -6.242 -7.044
91 HE1 TRP 15 HE1 TRP 15 -0.279 -8.649 -7.639
92 HE3 TRP 15 HE3 TRP 15 -4.512 -8.797 -4.380
93 HZ2 TRP 15 HZ2 TRP 15 -1.124 -11.275 -7.056
94 HZ3 TRP 15 HZ3 TRP 15 -4.502 -11.252 -4.457
95 HH2 TRP 15 HH2 TRP 15 -2.841 -12.466 -5.769
96 H SER 16 HN SER 16 -1.644 -7.933 -3.619
97 HA SER 16 HA SER 16 1.029 -6.802 -3.699
98 HB2 SER 16 HB2 SER 16 -0.073 -7.423 -1.286
99 HB3 SER 16 HB1 SER 16 0.719 -8.943 -1.701
100 HG SER 16 HG SER 16 2.181 -7.642 -0.619
101 H ALA 17 HN ALA 17 2.556 -8.100 -4.634
102 HA ALA 17 HA ALA 17 1.540 -10.578 -5.836
103 HB1 ALA 17 HB1 ALA 17 3.467 -8.508 -6.693
104 HB2 ALA 17 HB2 ALA 17 2.296 -9.430 -7.635
105 HB3 ALA 17 HB3 ALA 17 3.827 -10.168 -7.165
106 H ASP 18 HN ASP 18 3.748 -9.414 -3.488
107 HA ASP 18 HA ASP 18 5.812 -11.235 -3.513
108 HB2 ASP 18 HB2 ASP 18 4.612 -9.447 -1.573
109 HB3 ASP 18 HB1 ASP 18 5.189 -10.921 -0.800
110 H LEU 19 HN LEU 19 2.509 -11.684 -2.442
111 HA LEU 19 HA LEU 19 2.934 -14.556 -2.385
112 HB2 LEU 19 HB2 LEU 19 1.614 -14.637 -0.178
113 HB3 LEU 19 HB1 LEU 19 3.325 -14.256 -0.119
114 HG LEU 19 HG LEU 19 2.123 -11.766 -0.320
115 HD11 LEU 19 HD11 LEU 19 0.057 -13.400 0.370
116 HD12 LEU 19 HD12 LEU 19 0.164 -11.684 0.761
117 HD13 LEU 19 HD13 LEU 19 0.655 -12.891 1.949
118 HD21 LEU 19 HD21 LEU 19 2.683 -12.891 2.371
119 HD22 LEU 19 HD22 LEU 19 3.186 -11.360 1.655
120 HD23 LEU 19 HD23 LEU 19 3.996 -12.857 1.195
121 H ASP 20 HN ASP 20 1.407 -12.438 -3.904
122 HA ASP 20 HA ASP 20 -0.679 -12.047 -4.760
123 HB2 ASP 20 HB2 ASP 20 -0.655 -15.058 -4.494
124 HB3 ASP 20 HB1 ASP 20 -1.869 -14.168 -5.406
125 H LYS 21 HN LYS 21 -1.426 -10.916 -2.872
126 HA LYS 21 HA LYS 21 -3.918 -11.853 -1.951
127 HB2 LYS 21 HB2 LYS 21 -1.621 -12.612 -0.367
128 HB3 LYS 21 HB1 LYS 21 -2.700 -11.579 0.560
129 HG2 LYS 21 HG2 LYS 21 -4.490 -13.077 0.358
130 HG3 LYS 21 HG1 LYS 21 -3.706 -13.967 -0.950
131 HD2 LYS 21 HD2 LYS 21 -2.516 -15.238 0.471
132 HD3 LYS 21 HD1 LYS 21 -2.158 -13.877 1.536
133 HE2 LYS 21 HE2 LYS 21 -4.542 -14.049 2.351
134 HE3 LYS 21 HE1 LYS 21 -4.645 -15.572 1.469
135 HZ1 LYS 21 HZ1 LYS 21 -3.371 -16.630 2.971
136 HZ2 LYS 21 HZ2 LYS 21 -3.882 -15.394 4.007
137 HZ3 LYS 21 HZ3 LYS 21 -2.371 -15.293 3.252
138 H CYS 22 HN CYS 22 -5.121 -10.118 -1.557
139 HA CYS 22 HA CYS 22 -3.954 -7.513 -1.555
140 HB2 CYS 22 HB2 CYS 22 -6.453 -8.565 -2.149
141 HB3 CYS 22 HB1 CYS 22 -6.738 -7.619 -0.693
142 H MET 23 HN MET 23 -4.287 -5.884 0.103
143 HA MET 23 HA MET 23 -5.096 -6.552 2.728
144 HB2 MET 23 HB2 MET 23 -2.975 -7.815 2.677
145 HB3 MET 23 HB1 MET 23 -2.113 -6.331 2.295
146 HG2 MET 23 HG2 MET 23 -2.105 -5.643 4.415
147 HG3 MET 23 HG1 MET 23 -3.775 -6.140 4.685
148 HE1 MET 23 HE1 MET 23 0.138 -7.997 5.218
149 HE2 MET 23 HE2 MET 23 -0.473 -7.375 6.751
150 HE3 MET 23 HE3 MET 23 -0.429 -6.331 5.331
151 H ASP 24 HN ASP 24 -5.422 -4.748 3.936
152 HA ASP 24 HA ASP 24 -5.424 -2.242 2.683
153 HB2 ASP 24 HB2 ASP 24 -5.839 -1.371 5.037
154 HB3 ASP 24 HB1 ASP 24 -6.969 -2.588 4.451
155 H CYS 25 HN CYS 25 -4.248 -0.313 3.243
156 HA CYS 25 HA CYS 25 -1.467 -0.641 3.196
157 HB2 CYS 25 HB2 CYS 25 -2.971 1.843 4.038
158 HB3 CYS 25 HB1 CYS 25 -1.329 1.766 3.407
159 H ALA 26 HN ALA 26 -3.709 -0.194 5.841
160 HA ALA 26 HA ALA 26 -1.645 0.295 7.795
161 HB1 ALA 26 HB1 ALA 26 -3.409 0.368 9.408
162 HB2 ALA 26 HB2 ALA 26 -4.533 -0.404 8.288
163 HB3 ALA 26 HB3 ALA 26 -3.951 1.231 7.968
164 H SER 27 HN SER 27 -0.266 -1.434 7.876
165 HA SER 27 HA SER 27 -0.959 -3.623 9.483
166 HB2 SER 27 HB2 SER 27 -1.964 -4.058 7.007
167 HB3 SER 27 HB1 SER 27 -0.351 -4.741 6.809
168 HG SER 27 HG SER 27 -0.862 -5.889 8.858
169 H CYS 28 HN CYS 28 1.142 -2.631 6.802
170 HA CYS 28 HA CYS 28 3.407 -3.973 7.981
171 HB2 CYS 28 HB2 CYS 28 4.630 -3.098 5.984
172 HB3 CYS 28 HB1 CYS 28 3.235 -4.093 5.586
173 H ARG 29 HN ARG 29 2.659 -2.245 9.823
174 HA ARG 29 HA ARG 29 4.212 0.213 9.476
175 HB2 ARG 29 HB2 ARG 29 1.747 -0.164 10.566
176 HB3 ARG 29 HB1 ARG 29 2.755 -0.214 12.005
177 HG2 ARG 29 HG2 ARG 29 3.754 1.966 11.257
178 HG3 ARG 29 HG1 ARG 29 2.504 2.023 10.013
179 HD2 ARG 29 HD2 ARG 29 2.205 2.161 12.994
180 HD3 ARG 29 HD1 ARG 29 1.631 3.291 11.771
181 HE ARG 29 HE ARG 29 -0.193 1.909 11.363
182 HH11 ARG 29 HH11 ARG 29 1.969 0.441 13.684
183 HH12 ARG 29 HH12 ARG 29 0.819 -0.749 14.184
184 HH21 ARG 29 HH21 ARG 29 -1.702 0.342 12.025
185 HH22 ARG 29 HH22 ARG 29 -1.263 -0.807 13.245
186 H ALA 30 HN ALA 30 4.066 -2.725 11.382
187 HA ALA 30 HA ALA 30 6.281 -1.890 13.070
188 HB1 ALA 30 HB1 ALA 30 4.460 -3.130 14.095
189 HB2 ALA 30 HB2 ALA 30 5.961 -4.049 14.189
190 HB3 ALA 30 HB3 ALA 30 4.738 -4.480 12.994
191 H ARG 31 HN ARG 31 5.656 -3.952 10.320
192 HA ARG 31 HA ARG 31 8.539 -4.366 10.032
193 HB2 ARG 31 HB2 ARG 31 6.487 -6.574 9.788
194 HB3 ARG 31 HB1 ARG 31 8.200 -6.727 9.425
195 HG2 ARG 31 HG2 ARG 31 8.608 -7.252 11.532
196 HG3 ARG 31 HG1 ARG 31 7.963 -5.694 12.054
197 HD2 ARG 31 HD2 ARG 31 5.656 -6.830 11.786
198 HD3 ARG 31 HD1 ARG 31 6.570 -8.337 11.819
199 HE ARG 31 HE ARG 31 7.182 -6.565 13.998
200 HH11 ARG 31 HH11 ARG 31 5.043 -9.082 12.874
201 HH12 ARG 31 HH12 ARG 31 4.601 -9.591 14.469
202 HH21 ARG 31 HH21 ARG 31 6.603 -7.233 16.097
203 HH22 ARG 31 HH22 ARG 31 5.486 -8.541 16.298
204 HA PRO 32 HA PRO 32 6.618 -2.936 6.085
205 HB2 PRO 32 HB2 PRO 32 8.716 -1.374 5.354
206 HB3 PRO 32 HB1 PRO 32 7.430 -0.813 6.429
207 HG2 PRO 32 HG2 PRO 32 10.161 -1.830 7.114
208 HG3 PRO 32 HG1 PRO 32 9.285 -0.441 7.783
209 HD2 PRO 32 HD2 PRO 32 9.432 -2.820 9.064
210 HD3 PRO 32 HD1 PRO 32 8.015 -1.757 9.188
211 H HIS 33 HN HIS 33 6.785 -4.967 5.117
212 HA HIS 33 HA HIS 33 9.006 -5.274 3.320
213 HB2 HIS 33 HB2 HIS 33 9.359 -6.466 5.756
214 HB3 HIS 33 HB1 HIS 33 8.627 -7.772 4.831
215 HD1 HIS 33 HD1 HIS 33 11.420 -5.247 4.220
216 HD2 HIS 33 HD2 HIS 33 10.520 -9.258 3.620
217 HE1 HIS 33 HE1 HIS 33 13.459 -6.237 3.133
218 HE2 HIS 33 HE2 HIS 33 12.858 -8.646 2.701
219 H SER 34 HN SER 34 6.731 -4.803 2.319
220 HA SER 34 HA SER 34 5.740 -7.350 1.348
221 HB2 SER 34 HB2 SER 34 4.285 -5.743 3.140
222 HB3 SER 34 HB1 SER 34 3.544 -5.490 1.559
223 HG SER 34 HG SER 34 3.704 -7.801 3.110
224 H ASP 35 HN ASP 35 3.705 -6.286 -0.265
225 HA ASP 35 HA ASP 35 5.234 -4.636 -2.129
226 HB2 ASP 35 HB2 ASP 35 3.952 -7.199 -2.506
227 HB3 ASP 35 HB1 ASP 35 3.300 -6.003 -3.622
228 H PHE 36 HN PHE 36 2.044 -5.381 -0.836
229 HA PHE 36 HA PHE 36 0.552 -3.542 -2.321
230 HB2 PHE 36 HB2 PHE 36 -1.144 -3.750 -0.601
231 HB3 PHE 36 HB1 PHE 36 -0.429 -5.327 -0.911
232 HD1 PHE 36 HD2 PHE 36 1.132 -6.318 0.723
233 HD2 PHE 36 HD1 PHE 36 -0.964 -2.701 1.519
234 HE1 PHE 36 HE2 PHE 36 1.618 -6.568 3.122
235 HE2 PHE 36 HE1 PHE 36 -0.481 -2.944 3.919
236 HZ PHE 36 HZ PHE 36 0.812 -4.880 4.723
237 H CYS 37 HN CYS 37 2.663 -3.093 0.409
238 HA CYS 37 HA CYS 37 1.699 -0.506 1.138
239 HB2 CYS 37 HB2 CYS 37 4.469 -1.568 1.687
240 HB3 CYS 37 HB1 CYS 37 3.549 -0.397 2.625
241 H LEU 38 HN LEU 38 4.197 -1.713 -1.019
242 HA LEU 38 HA LEU 38 5.456 0.763 -1.536
243 HB2 LEU 38 HB2 LEU 38 5.295 -1.401 -3.598
244 HB3 LEU 38 HB1 LEU 38 6.628 -0.327 -3.227
245 HG LEU 38 HG LEU 38 5.740 -2.757 -1.686
246 HD11 LEU 38 HD11 LEU 38 7.995 -2.046 -3.459
247 HD12 LEU 38 HD12 LEU 38 7.183 -3.592 -3.215
248 HD13 LEU 38 HD13 LEU 38 8.372 -3.027 -2.043
249 HD21 LEU 38 HD21 LEU 38 7.439 -2.229 -0.037
250 HD22 LEU 38 HD22 LEU 38 6.243 -0.936 -0.115
251 HD23 LEU 38 HD23 LEU 38 7.818 -0.727 -0.879
252 H GLY 39 HN GLY 39 2.591 -0.768 -2.789
253 HA2 GLY 39 HA2 GLY 39 2.338 1.086 -5.005
254 HA3 GLY 39 HA1 GLY 39 1.197 -0.176 -4.561
255 H CYS 40 HN CYS 40 1.072 0.734 -1.759
256 HA CYS 40 HA CYS 40 -1.076 2.574 -2.056
257 HB2 CYS 40 HB2 CYS 40 -0.986 0.887 -0.252
258 HB3 CYS 40 HB1 CYS 40 0.383 1.735 0.459
259 H ALA 41 HN ALA 41 2.248 2.866 -0.871
260 HA ALA 41 HA ALA 41 2.103 5.546 -0.046
261 HB1 ALA 41 HB1 ALA 41 4.685 4.637 -1.130
262 HB2 ALA 41 HB2 ALA 41 3.984 3.619 0.129
263 HB3 ALA 41 HB3 ALA 41 4.290 5.326 0.445
264 H ALA 42 HN ALA 42 4.014 6.994 -1.269
265 HA ALA 42 HA ALA 42 3.822 7.016 -4.111
266 HB1 ALA 42 HB1 ALA 42 1.781 7.976 -4.193
267 HB2 ALA 42 HB2 ALA 42 2.698 9.450 -3.879
268 HB3 ALA 42 HB3 ALA 42 1.894 8.612 -2.552
269 H ALA 43 HN ALA 43 5.238 8.491 -5.060
270 HA ALA 43 HA ALA 43 7.091 9.806 -5.202
271 HB1 ALA 43 HB1 ALA 43 7.202 11.523 -3.151
272 HB2 ALA 43 HB2 ALA 43 5.512 11.034 -3.027
273 HB3 ALA 43 HB3 ALA 43 6.120 11.735 -4.527
274 HA PRO 44 HA PRO 44 9.540 7.095 -2.448
275 HB2 PRO 44 HB2 PRO 44 11.713 7.033 -4.098
276 HB3 PRO 44 HB1 PRO 44 10.324 5.955 -4.271
277 HG2 PRO 44 HG2 PRO 44 10.962 8.475 -5.753
278 HG3 PRO 44 HG1 PRO 44 10.333 6.939 -6.376
279 HD2 PRO 44 HD2 PRO 44 8.739 9.067 -5.945
280 HD3 PRO 44 HD1 PRO 44 8.173 7.403 -5.696
281 HA PRO 45 HA PRO 45 11.392 10.875 -0.714
282 HB2 PRO 45 HB2 PRO 45 12.152 8.910 1.377
283 HB3 PRO 45 HB1 PRO 45 11.344 10.473 1.542
284 HG2 PRO 45 HG2 PRO 45 9.982 8.201 1.824
285 HG3 PRO 45 HG1 PRO 45 9.261 9.603 1.013
286 HD2 PRO 45 HD2 PRO 45 10.410 7.108 -0.173
287 HD3 PRO 45 HD1 PRO 45 8.975 8.032 -0.663
288 H ALA 46 HN ALA 46 13.325 11.569 -1.347
289 HA ALA 46 HA ALA 46 15.524 9.627 -1.564
290 HB1 ALA 46 HB1 ALA 46 16.102 10.560 -3.508
291 HB2 ALA 46 HB2 ALA 46 15.962 12.195 -2.863
292 HB3 ALA 46 HB3 ALA 46 14.529 11.357 -3.459
293 HA PRO 47 HA PRO 47 17.268 11.865 1.915
294 HB2 PRO 47 HB2 PRO 47 19.572 10.450 2.092
295 HB3 PRO 47 HB1 PRO 47 18.023 9.829 2.675
296 HG2 PRO 47 HG2 PRO 47 19.445 9.260 0.101
297 HG3 PRO 47 HG1 PRO 47 18.614 8.136 1.193
298 HD2 PRO 47 HD2 PRO 47 17.476 9.072 -1.080
299 HD3 PRO 47 HD1 PRO 47 16.531 8.679 0.371
300 H PHE 48 HN PHE 48 19.458 12.885 2.390
301 HA PHE 48 HA PHE 48 20.661 13.918 -0.093
302 HB2 PHE 48 HB2 PHE 48 19.937 15.416 2.427
303 HB3 PHE 48 HB1 PHE 48 21.011 16.071 1.195
304 HD1 PHE 48 HD1 PHE 48 19.944 15.758 -1.292
305 HD2 PHE 48 HD2 PHE 48 17.786 16.176 2.351
306 HE1 PHE 48 HE1 PHE 48 18.000 16.595 -2.546
307 HE2 PHE 48 HE2 PHE 48 15.836 17.014 1.103
308 HZ PHE 48 HZ PHE 48 15.943 17.224 -1.348
309 H ARG 49 HN ARG 49 22.865 14.793 0.200
310 HA ARG 49 HA ARG 49 25.031 14.642 0.886
311 HB2 ARG 49 HB2 ARG 49 23.712 14.991 3.204
312 HB3 ARG 49 HB1 ARG 49 24.380 13.391 3.495
313 HG2 ARG 49 HG2 ARG 49 25.891 14.996 4.388
314 HG3 ARG 49 HG1 ARG 49 26.630 14.304 2.944
315 HD2 ARG 49 HD2 ARG 49 27.025 16.501 2.516
316 HD3 ARG 49 HD1 ARG 49 25.417 16.373 1.804
317 HE ARG 49 HE ARG 49 24.909 17.076 4.367
318 HH11 ARG 49 HH11 ARG 49 26.964 18.411 1.883
319 HH12 ARG 49 HH12 ARG 49 26.824 20.035 2.465
320 HH21 ARG 49 HH21 ARG 49 24.723 19.211 5.135
321 HH22 ARG 49 HH22 ARG 49 25.553 20.490 4.312
322 H LEU 50 HN LEU 50 23.510 11.876 2.550
323 HA LEU 50 HA LEU 50 25.579 10.108 1.605
324 HB2 LEU 50 HB2 LEU 50 23.808 10.137 3.760
325 HB3 LEU 50 HB1 LEU 50 23.275 8.788 2.776
326 HG LEU 50 HG LEU 50 26.180 8.891 3.241
327 HD11 LEU 50 HD11 LEU 50 26.231 8.460 5.492
328 HD12 LEU 50 HD12 LEU 50 24.547 7.935 5.542
329 HD13 LEU 50 HD13 LEU 50 24.932 9.651 5.416
330 HD21 LEU 50 HD21 LEU 50 24.540 6.550 3.957
331 HD22 LEU 50 HD22 LEU 50 26.015 6.656 2.995
332 HD23 LEU 50 HD23 LEU 50 24.459 7.062 2.270
333 H LEU 51 HN LEU 51 25.547 8.963 -0.208
334 HA LEU 51 HA LEU 51 24.845 7.963 -2.127
335 HB2 LEU 51 HB2 LEU 51 23.282 6.921 -0.235
336 HB3 LEU 51 HB1 LEU 51 22.042 7.750 -1.158
337 HG LEU 51 HG LEU 51 23.695 6.293 -2.979
338 HD11 LEU 51 HD11 LEU 51 24.336 4.875 -1.134
339 HD12 LEU 51 HD12 LEU 51 23.222 4.008 -2.192
340 HD13 LEU 51 HD13 LEU 51 22.648 4.674 -0.663
341 HD21 LEU 51 HD21 LEU 51 20.839 5.961 -2.070
342 HD22 LEU 51 HD22 LEU 51 21.550 5.166 -3.474
343 HD23 LEU 51 HD23 LEU 51 21.413 6.925 -3.432
344 H TRP 52 HN TRP 52 22.983 8.096 -3.860
345 HA TRP 52 HA TRP 52 22.433 10.959 -4.221
346 HB2 TRP 52 HB2 TRP 52 23.254 8.795 -6.016
347 HB3 TRP 52 HB1 TRP 52 21.930 9.764 -6.655
348 HD1 TRP 52 HD1 TRP 52 22.664 11.838 -7.954
349 HE1 TRP 52 HE1 TRP 52 24.788 13.286 -8.074
350 HE3 TRP 52 HE3 TRP 52 25.396 9.578 -4.271
351 HZ2 TRP 52 HZ2 TRP 52 27.292 13.449 -6.779
352 HZ3 TRP 52 HZ3 TRP 52 27.647 10.441 -3.774
353 HH2 TRP 52 HH2 TRP 52 28.574 12.335 -5.003
354 HA PRO 53 HA PRO 53 18.073 10.584 -3.762
355 HB2 PRO 53 HB2 PRO 53 17.879 12.065 -6.342
356 HB3 PRO 53 HB1 PRO 53 17.125 12.417 -4.782
357 HG2 PRO 53 HG2 PRO 53 19.213 13.834 -5.630
358 HG3 PRO 53 HG1 PRO 53 19.052 13.384 -3.922
359 HD2 PRO 53 HD2 PRO 53 20.831 12.238 -6.026
360 HD3 PRO 53 HD1 PRO 53 21.140 12.483 -4.296
Start of MODEL 15
1 H1 GLU 1 HT1 GLU 1 -12.279 -18.773 -14.470
2 H2 GLU 1 HT2 GLU 1 -11.830 -19.408 -16.001
3 H3 GLU 1 HT3 GLU 1 -12.270 -17.757 -15.850
4 HA GLU 1 HA GLU 1 -9.865 -19.122 -14.880
5 HB2 GLU 1 HB2 GLU 1 -10.550 -16.937 -16.821
6 HB3 GLU 1 HB1 GLU 1 -8.948 -17.003 -16.101
7 HG2 GLU 1 HG2 GLU 1 -9.217 -19.555 -16.933
8 HG3 GLU 1 HG1 GLU 1 -10.177 -18.712 -18.148
9 H GLN 2 HN GLN 2 -11.853 -16.200 -14.617
10 HA GLN 2 HA GLN 2 -10.156 -15.112 -12.535
11 HB2 GLN 2 HB2 GLN 2 -12.059 -14.069 -14.377
12 HB3 GLN 2 HB1 GLN 2 -12.625 -13.692 -12.756
13 HG2 GLN 2 HG2 GLN 2 -11.002 -12.196 -12.399
14 HG3 GLN 2 HG1 GLN 2 -9.775 -13.184 -13.191
15 HE21 GLN 2 HE21 GLN 2 -12.507 -11.042 -13.812
16 HE22 GLN 2 HE22 GLN 2 -11.931 -10.449 -15.328
17 H ALA 3 HN ALA 3 -10.944 -14.562 -10.418
18 HA ALA 3 HA ALA 3 -12.598 -16.662 -9.309
19 HB1 ALA 3 HB1 ALA 3 -10.917 -16.358 -7.829
20 HB2 ALA 3 HB2 ALA 3 -12.017 -15.143 -7.175
21 HB3 ALA 3 HB3 ALA 3 -10.706 -14.657 -8.251
22 HA PRO 4 HA PRO 4 -16.345 -14.338 -9.083
23 HB2 PRO 4 HB2 PRO 4 -17.517 -15.471 -6.917
24 HB3 PRO 4 HB1 PRO 4 -17.375 -16.301 -8.470
25 HG2 PRO 4 HG2 PRO 4 -15.682 -16.571 -6.016
26 HG3 PRO 4 HG1 PRO 4 -16.310 -17.838 -7.087
27 HD2 PRO 4 HD2 PRO 4 -13.761 -16.930 -7.236
28 HD3 PRO 4 HD1 PRO 4 -14.656 -17.508 -8.656
29 H GLY 5 HN GLY 5 -14.284 -14.551 -6.250
30 HA2 GLY 5 HA2 GLY 5 -15.568 -12.699 -4.591
31 HA3 GLY 5 HA1 GLY 5 -13.849 -13.062 -4.560
32 H THR 6 HN THR 6 -14.937 -10.514 -4.055
33 HA THR 6 HA THR 6 -13.536 -9.002 -6.104
34 HB THR 6 HB THR 6 -15.617 -7.339 -5.906
35 HG1 THR 6 HG1 THR 6 -16.778 -8.832 -4.574
36 HG21 THR 6 HG21 THR 6 -15.071 -7.859 -8.066
37 HG22 THR 6 HG22 THR 6 -16.643 -8.644 -7.911
38 HG23 THR 6 HG23 THR 6 -15.165 -9.598 -7.788
39 H ALA 7 HN ALA 7 -12.974 -6.855 -5.434
40 HA ALA 7 HA ALA 7 -13.572 -5.994 -2.752
41 HB1 ALA 7 HB1 ALA 7 -11.686 -7.748 -2.619
42 HB2 ALA 7 HB2 ALA 7 -11.483 -6.222 -1.758
43 HB3 ALA 7 HB3 ALA 7 -10.669 -6.479 -3.302
44 HA PRO 8 HA PRO 8 -12.761 -2.157 -4.821
45 HB2 PRO 8 HB2 PRO 8 -12.909 -0.474 -2.735
46 HB3 PRO 8 HB1 PRO 8 -14.335 -1.321 -3.347
47 HG2 PRO 8 HG2 PRO 8 -12.627 -1.956 -0.972
48 HG3 PRO 8 HG1 PRO 8 -14.393 -1.998 -1.125
49 HD2 PRO 8 HD2 PRO 8 -12.790 -4.217 -1.286
50 HD3 PRO 8 HD1 PRO 8 -14.382 -4.087 -2.058
51 H CYS 9 HN CYS 9 -10.421 -3.462 -4.716
52 HA CYS 9 HA CYS 9 -8.430 -2.325 -3.073
53 HB2 CYS 9 HB2 CYS 9 -8.236 -3.758 -5.727
54 HB3 CYS 9 HB1 CYS 9 -6.841 -3.309 -4.751
55 H SER 10 HN SER 10 -6.386 -1.401 -4.448
56 HA SER 10 HA SER 10 -5.482 0.386 -5.531
57 HB2 SER 10 HB2 SER 10 -8.128 0.742 -6.946
58 HB3 SER 10 HB1 SER 10 -6.534 1.269 -7.486
59 HG SER 10 HG SER 10 -7.460 -1.401 -7.230
60 H ARG 11 HN ARG 11 -8.910 1.336 -5.223
61 HA ARG 11 HA ARG 11 -8.253 3.944 -4.302
62 HB2 ARG 11 HB2 ARG 11 -10.911 2.547 -3.993
63 HB3 ARG 11 HB1 ARG 11 -10.612 4.279 -4.050
64 HG2 ARG 11 HG2 ARG 11 -9.719 2.757 -6.405
65 HG3 ARG 11 HG1 ARG 11 -11.463 2.827 -6.146
66 HD2 ARG 11 HD2 ARG 11 -10.984 4.685 -7.491
67 HD3 ARG 11 HD1 ARG 11 -11.150 5.341 -5.863
68 HE ARG 11 HE ARG 11 -8.498 4.884 -6.061
69 HH11 ARG 11 HH11 ARG 11 -10.772 6.572 -8.101
70 HH12 ARG 11 HH12 ARG 11 -9.596 7.694 -8.698
71 HH21 ARG 11 HH21 ARG 11 -6.950 6.360 -6.844
72 HH22 ARG 11 HH22 ARG 11 -7.426 7.574 -7.984
73 H GLY 12 HN GLY 12 -6.752 3.066 -2.591
74 HA2 GLY 12 HA2 GLY 12 -6.968 3.671 -0.152
75 HA3 GLY 12 HA1 GLY 12 -8.249 2.469 -0.114
76 H SER 13 HN SER 13 -7.617 0.229 -0.707
77 HA SER 13 HA SER 13 -5.287 -0.531 0.765
78 HB2 SER 13 HB2 SER 13 -5.994 -2.780 0.423
79 HB3 SER 13 HB1 SER 13 -7.470 -1.836 0.613
80 HG SER 13 HG SER 13 -6.394 -3.029 -1.684
81 H SER 14 HN SER 14 -4.298 -2.705 -0.661
82 HA SER 14 HA SER 14 -3.466 -1.837 -3.267
83 HB2 SER 14 HB2 SER 14 -1.796 -1.351 -0.925
84 HB3 SER 14 HB1 SER 14 -0.969 -2.296 -2.163
85 HG SER 14 HG SER 14 -0.633 -0.209 -2.719
86 H TRP 15 HN TRP 15 -2.558 -3.464 -4.510
87 HA TRP 15 HA TRP 15 -3.144 -6.136 -3.640
88 HB2 TRP 15 HB2 TRP 15 -3.653 -5.777 -5.892
89 HB3 TRP 15 HB1 TRP 15 -2.162 -4.893 -6.192
90 HD1 TRP 15 HD1 TRP 15 -0.240 -6.219 -7.272
91 HE1 TRP 15 HE1 TRP 15 0.188 -8.697 -7.820
92 HE3 TRP 15 HE3 TRP 15 -4.246 -8.294 -4.867
93 HZ2 TRP 15 HZ2 TRP 15 -1.014 -11.195 -7.301
94 HZ3 TRP 15 HZ3 TRP 15 -4.536 -10.733 -4.945
95 HH2 TRP 15 HH2 TRP 15 -2.952 -12.154 -6.139
96 H SER 16 HN SER 16 -1.582 -7.915 -3.814
97 HA SER 16 HA SER 16 1.183 -7.129 -3.354
98 HB2 SER 16 HB2 SER 16 -0.357 -7.745 -1.239
99 HB3 SER 16 HB1 SER 16 0.164 -9.366 -1.697
100 HG SER 16 HG SER 16 2.109 -8.925 -1.021
101 H ALA 17 HN ALA 17 2.724 -8.573 -4.071
102 HA ALA 17 HA ALA 17 1.679 -10.775 -5.713
103 HB1 ALA 17 HB1 ALA 17 4.331 -9.347 -5.902
104 HB2 ALA 17 HB2 ALA 17 2.927 -9.063 -6.932
105 HB3 ALA 17 HB3 ALA 17 3.759 -10.618 -6.983
106 H ASP 18 HN ASP 18 3.743 -10.014 -3.032
107 HA ASP 18 HA ASP 18 5.406 -12.230 -2.924
108 HB2 ASP 18 HB2 ASP 18 5.080 -10.084 -1.348
109 HB3 ASP 18 HB1 ASP 18 4.249 -11.278 -0.356
110 H LEU 19 HN LEU 19 2.013 -11.941 -2.149
111 HA LEU 19 HA LEU 19 1.877 -14.840 -1.847
112 HB2 LEU 19 HB2 LEU 19 2.034 -13.790 0.426
113 HB3 LEU 19 HB1 LEU 19 0.533 -12.954 0.087
114 HG LEU 19 HG LEU 19 0.657 -15.246 1.460
115 HD11 LEU 19 HD11 LEU 19 -1.753 -15.505 0.101
116 HD12 LEU 19 HD12 LEU 19 -1.370 -13.785 0.021
117 HD13 LEU 19 HD13 LEU 19 -1.457 -14.599 1.583
118 HD21 LEU 19 HD21 LEU 19 -0.073 -16.250 -1.273
119 HD22 LEU 19 HD22 LEU 19 0.236 -17.169 0.199
120 HD23 LEU 19 HD23 LEU 19 1.569 -16.381 -0.643
121 H ASP 20 HN ASP 20 1.041 -12.595 -3.745
122 HA ASP 20 HA ASP 20 -0.772 -11.939 -4.989
123 HB2 ASP 20 HB2 ASP 20 -0.678 -14.888 -4.882
124 HB3 ASP 20 HB1 ASP 20 -2.187 -14.205 -5.479
125 H LYS 21 HN LYS 21 -1.681 -10.729 -3.171
126 HA LYS 21 HA LYS 21 -4.430 -11.298 -2.837
127 HB2 LYS 21 HB2 LYS 21 -2.644 -12.390 -0.853
128 HB3 LYS 21 HB1 LYS 21 -3.703 -11.194 -0.120
129 HG2 LYS 21 HG2 LYS 21 -5.648 -12.392 -1.054
130 HG3 LYS 21 HG1 LYS 21 -4.551 -13.622 -1.687
131 HD2 LYS 21 HD2 LYS 21 -3.847 -14.214 0.535
132 HD3 LYS 21 HD1 LYS 21 -4.767 -12.878 1.228
133 HE2 LYS 21 HE2 LYS 21 -6.751 -14.107 -0.050
134 HE3 LYS 21 HE1 LYS 21 -5.696 -15.498 0.193
135 HZ1 LYS 21 HZ1 LYS 21 -7.464 -14.720 1.987
136 HZ2 LYS 21 HZ2 LYS 21 -6.154 -13.781 2.502
137 HZ3 LYS 21 HZ3 LYS 21 -6.006 -15.464 2.416
138 H CYS 22 HN CYS 22 -5.563 -9.507 -2.200
139 HA CYS 22 HA CYS 22 -4.132 -7.025 -2.190
140 HB2 CYS 22 HB2 CYS 22 -6.624 -7.726 -2.988
141 HB3 CYS 22 HB1 CYS 22 -6.987 -7.024 -1.416
142 H MET 23 HN MET 23 -4.079 -5.470 -0.532
143 HA MET 23 HA MET 23 -5.021 -6.156 2.097
144 HB2 MET 23 HB2 MET 23 -2.171 -6.351 1.320
145 HB3 MET 23 HB1 MET 23 -2.505 -5.550 2.849
146 HG2 MET 23 HG2 MET 23 -2.362 -7.636 3.657
147 HG3 MET 23 HG1 MET 23 -4.043 -7.726 3.136
148 HE1 MET 23 HE1 MET 23 -0.479 -8.917 2.767
149 HE2 MET 23 HE2 MET 23 -0.761 -10.457 1.956
150 HE3 MET 23 HE3 MET 23 -1.539 -10.120 3.502
151 H ASP 24 HN ASP 24 -5.237 -4.391 3.444
152 HA ASP 24 HA ASP 24 -5.483 -1.875 2.215
153 HB2 ASP 24 HB2 ASP 24 -6.414 -2.986 4.529
154 HB3 ASP 24 HB1 ASP 24 -5.209 -1.861 5.149
155 H CYS 25 HN CYS 25 -4.490 0.106 3.539
156 HA CYS 25 HA CYS 25 -1.687 0.046 2.939
157 HB2 CYS 25 HB2 CYS 25 -3.634 2.012 3.039
158 HB3 CYS 25 HB1 CYS 25 -2.620 2.380 4.429
159 H ALA 26 HN ALA 26 -3.555 -0.587 5.728
160 HA ALA 26 HA ALA 26 -1.235 -0.158 7.484
161 HB1 ALA 26 HB1 ALA 26 -4.117 -0.596 8.256
162 HB2 ALA 26 HB2 ALA 26 -3.324 0.975 8.136
163 HB3 ALA 26 HB3 ALA 26 -2.785 -0.196 9.341
164 H SER 27 HN SER 27 -0.019 -1.938 7.579
165 HA SER 27 HA SER 27 -0.948 -4.292 8.796
166 HB2 SER 27 HB2 SER 27 -1.647 -4.254 6.135
167 HB3 SER 27 HB1 SER 27 -0.127 -5.147 6.113
168 HG SER 27 HG SER 27 -2.207 -5.755 7.930
169 H CYS 28 HN CYS 28 1.456 -2.871 6.634
170 HA CYS 28 HA CYS 28 3.531 -4.618 7.604
171 HB2 CYS 28 HB2 CYS 28 5.000 -3.283 6.085
172 HB3 CYS 28 HB1 CYS 28 3.630 -4.034 5.276
173 H ARG 29 HN ARG 29 2.634 -3.443 9.786
174 HA ARG 29 HA ARG 29 4.358 -1.134 10.337
175 HB2 ARG 29 HB2 ARG 29 1.738 -1.494 10.937
176 HB3 ARG 29 HB1 ARG 29 2.483 -2.075 12.418
177 HG2 ARG 29 HG2 ARG 29 2.303 0.102 12.981
178 HG3 ARG 29 HG1 ARG 29 3.851 0.195 12.139
179 HD2 ARG 29 HD2 ARG 29 2.793 0.969 10.138
180 HD3 ARG 29 HD1 ARG 29 1.189 0.671 10.810
181 HE ARG 29 HE ARG 29 2.336 2.447 12.536
182 HH11 ARG 29 HH11 ARG 29 1.718 2.408 9.102
183 HH12 ARG 29 HH12 ARG 29 1.542 4.128 8.988
184 HH21 ARG 29 HH21 ARG 29 2.103 4.707 12.389
185 HH22 ARG 29 HH22 ARG 29 1.762 5.433 10.854
186 H ALA 30 HN ALA 30 5.386 -3.841 10.090
187 HA ALA 30 HA ALA 30 7.096 -3.894 12.326
188 HB1 ALA 30 HB1 ALA 30 4.738 -4.881 13.096
189 HB2 ALA 30 HB2 ALA 30 6.273 -5.487 13.718
190 HB3 ALA 30 HB3 ALA 30 5.444 -6.350 12.422
191 H ARG 31 HN ARG 31 5.553 -5.814 9.791
192 HA ARG 31 HA ARG 31 8.151 -7.083 9.236
193 HB2 ARG 31 HB2 ARG 31 5.333 -8.023 8.984
194 HB3 ARG 31 HB1 ARG 31 6.511 -8.626 7.827
195 HG2 ARG 31 HG2 ARG 31 6.653 -10.233 9.437
196 HG3 ARG 31 HG1 ARG 31 7.909 -9.125 9.991
197 HD2 ARG 31 HD2 ARG 31 5.685 -8.106 11.202
198 HD3 ARG 31 HD1 ARG 31 5.342 -9.836 11.214
199 HE ARG 31 HE ARG 31 7.986 -9.286 12.109
200 HH11 ARG 31 HH11 ARG 31 4.644 -9.241 13.113
201 HH12 ARG 31 HH12 ARG 31 5.014 -9.446 14.791
202 HH21 ARG 31 HH21 ARG 31 8.475 -9.556 14.318
203 HH22 ARG 31 HH22 ARG 31 7.189 -9.626 15.476
204 HA PRO 32 HA PRO 32 7.752 -4.186 5.721
205 HB2 PRO 32 HB2 PRO 32 10.382 -4.373 5.005
206 HB3 PRO 32 HB1 PRO 32 9.781 -3.268 6.246
207 HG2 PRO 32 HG2 PRO 32 11.081 -5.945 6.559
208 HG3 PRO 32 HG1 PRO 32 11.336 -4.459 7.493
209 HD2 PRO 32 HD2 PRO 32 9.813 -6.483 8.411
210 HD3 PRO 32 HD1 PRO 32 9.437 -4.785 8.768
211 H HIS 33 HN HIS 33 9.152 -4.537 3.454
212 HA HIS 33 HA HIS 33 9.280 -5.723 1.522
213 HB2 HIS 33 HB2 HIS 33 9.754 -7.764 3.604
214 HB3 HIS 33 HB1 HIS 33 9.236 -8.391 2.044
215 HD1 HIS 33 HD1 HIS 33 11.912 -6.065 3.421
216 HD2 HIS 33 HD2 HIS 33 11.264 -8.700 0.275
217 HE1 HIS 33 HE1 HIS 33 14.097 -6.186 2.185
218 HE2 HIS 33 HE2 HIS 33 13.654 -7.713 0.232
219 H SER 34 HN SER 34 6.918 -4.769 1.763
220 HA SER 34 HA SER 34 5.102 -6.955 1.099
221 HB2 SER 34 HB2 SER 34 3.345 -5.147 2.045
222 HB3 SER 34 HB1 SER 34 4.066 -6.402 3.054
223 HG SER 34 HG SER 34 5.263 -3.862 2.732
224 H ASP 35 HN ASP 35 4.466 -6.805 -0.937
225 HA ASP 35 HA ASP 35 4.934 -4.541 -2.548
226 HB2 ASP 35 HB2 ASP 35 4.133 -7.232 -2.934
227 HB3 ASP 35 HB1 ASP 35 2.924 -6.220 -3.718
228 H PHE 36 HN PHE 36 2.253 -5.488 -0.571
229 HA PHE 36 HA PHE 36 0.353 -3.759 -1.870
230 HB2 PHE 36 HB2 PHE 36 -1.186 -4.430 -0.140
231 HB3 PHE 36 HB1 PHE 36 -0.309 -5.852 -0.695
232 HD1 PHE 36 HD2 PHE 36 1.454 -6.845 0.720
233 HD2 PHE 36 HD1 PHE 36 -1.006 -3.656 2.093
234 HE1 PHE 36 HE2 PHE 36 2.112 -7.342 3.038
235 HE2 PHE 36 HE1 PHE 36 -0.353 -4.146 4.413
236 HZ PHE 36 HZ PHE 36 1.208 -5.992 4.889
237 H CYS 37 HN CYS 37 2.960 -3.095 0.029
238 HA CYS 37 HA CYS 37 1.648 -0.794 1.311
239 HB2 CYS 37 HB2 CYS 37 4.030 -2.450 2.051
240 HB3 CYS 37 HB1 CYS 37 3.948 -0.774 2.587
241 H LEU 38 HN LEU 38 4.442 -1.785 -0.617
242 HA LEU 38 HA LEU 38 5.593 0.777 -0.878
243 HB2 LEU 38 HB2 LEU 38 6.806 -0.172 -2.791
244 HB3 LEU 38 HB1 LEU 38 6.861 -1.218 -1.386
245 HG LEU 38 HG LEU 38 4.882 -2.460 -2.500
246 HD11 LEU 38 HD11 LEU 38 5.584 -0.494 -4.531
247 HD12 LEU 38 HD12 LEU 38 4.141 -1.496 -4.370
248 HD13 LEU 38 HD13 LEU 38 5.588 -2.150 -5.136
249 HD21 LEU 38 HD21 LEU 38 7.765 -2.537 -3.273
250 HD22 LEU 38 HD22 LEU 38 6.617 -3.612 -4.071
251 HD23 LEU 38 HD23 LEU 38 6.825 -3.686 -2.321
252 H GLY 39 HN GLY 39 2.956 -0.810 -2.499
253 HA2 GLY 39 HA2 GLY 39 2.853 1.138 -4.649
254 HA3 GLY 39 HA1 GLY 39 1.742 -0.198 -4.394
255 H CYS 40 HN CYS 40 1.409 0.647 -1.538
256 HA CYS 40 HA CYS 40 -0.696 2.595 -2.046
257 HB2 CYS 40 HB2 CYS 40 -1.134 0.512 -0.737
258 HB3 CYS 40 HB1 CYS 40 -0.051 1.116 0.512
259 H ALA 41 HN ALA 41 2.238 3.294 -1.940
260 HA ALA 41 HA ALA 41 2.798 4.707 0.424
261 HB1 ALA 41 HB1 ALA 41 3.934 5.760 -2.087
262 HB2 ALA 41 HB2 ALA 41 4.245 4.058 -1.745
263 HB3 ALA 41 HB3 ALA 41 4.733 5.294 -0.585
264 H ALA 42 HN ALA 42 1.788 5.984 -2.754
265 HA ALA 42 HA ALA 42 -0.137 7.749 -1.714
266 HB1 ALA 42 HB1 ALA 42 0.904 9.724 -1.382
267 HB2 ALA 42 HB2 ALA 42 2.091 9.436 -2.654
268 HB3 ALA 42 HB3 ALA 42 2.299 8.691 -1.070
269 H ALA 43 HN ALA 43 2.362 7.587 -4.249
270 HA ALA 43 HA ALA 43 0.240 8.084 -6.237
271 HB1 ALA 43 HB1 ALA 43 2.353 9.696 -5.825
272 HB2 ALA 43 HB2 ALA 43 1.566 9.499 -7.391
273 HB3 ALA 43 HB3 ALA 43 3.036 8.597 -7.023
274 HA PRO 44 HA PRO 44 1.678 3.816 -7.117
275 HB2 PRO 44 HB2 PRO 44 -0.673 2.976 -8.171
276 HB3 PRO 44 HB1 PRO 44 -0.368 3.014 -6.431
277 HG2 PRO 44 HG2 PRO 44 -1.848 4.979 -8.137
278 HG3 PRO 44 HG1 PRO 44 -2.277 4.337 -6.540
279 HD2 PRO 44 HD2 PRO 44 -1.148 6.778 -6.878
280 HD3 PRO 44 HD1 PRO 44 -0.859 5.780 -5.439
281 HA PRO 45 HA PRO 45 2.847 4.231 -11.349
282 HB2 PRO 45 HB2 PRO 45 1.789 1.469 -11.733
283 HB3 PRO 45 HB1 PRO 45 3.378 2.133 -12.135
284 HG2 PRO 45 HG2 PRO 45 3.069 0.553 -10.016
285 HG3 PRO 45 HG1 PRO 45 4.151 1.958 -9.955
286 HD2 PRO 45 HD2 PRO 45 1.429 1.608 -8.782
287 HD3 PRO 45 HD1 PRO 45 2.827 2.497 -8.146
288 H ALA 46 HN ALA 46 1.740 5.382 -12.788
289 HA ALA 46 HA ALA 46 -0.973 4.490 -13.524
290 HB1 ALA 46 HB1 ALA 46 -1.559 6.434 -12.527
291 HB2 ALA 46 HB2 ALA 46 -1.108 7.105 -14.093
292 HB3 ALA 46 HB3 ALA 46 0.034 7.158 -12.750
293 HA PRO 47 HA PRO 47 1.548 4.080 -17.361
294 HB2 PRO 47 HB2 PRO 47 -1.014 2.755 -18.104
295 HB3 PRO 47 HB1 PRO 47 0.648 2.215 -18.363
296 HG2 PRO 47 HG2 PRO 47 -0.854 1.111 -16.465
297 HG3 PRO 47 HG1 PRO 47 0.870 1.425 -16.194
298 HD2 PRO 47 HD2 PRO 47 -1.511 2.914 -15.182
299 HD3 PRO 47 HD1 PRO 47 0.038 2.582 -14.381
300 H PHE 48 HN PHE 48 0.502 4.271 -19.758
301 HA PHE 48 HA PHE 48 -0.320 6.983 -19.962
302 HB2 PHE 48 HB2 PHE 48 0.063 4.748 -21.929
303 HB3 PHE 48 HB1 PHE 48 -0.677 6.261 -22.441
304 HD1 PHE 48 HD2 PHE 48 0.835 8.261 -20.976
305 HD2 PHE 48 HD1 PHE 48 2.169 4.690 -22.867
306 HE1 PHE 48 HE2 PHE 48 3.067 9.254 -21.268
307 HE2 PHE 48 HE1 PHE 48 4.404 5.675 -23.161
308 HZ PHE 48 HZ PHE 48 4.855 7.961 -22.362
309 H ARG 49 HN ARG 49 -2.295 7.754 -19.667
310 HA ARG 49 HA ARG 49 -4.591 5.977 -20.155
311 HB2 ARG 49 HB2 ARG 49 -3.999 8.003 -18.089
312 HB3 ARG 49 HB1 ARG 49 -5.643 8.020 -18.710
313 HG2 ARG 49 HG2 ARG 49 -4.422 5.441 -17.842
314 HG3 ARG 49 HG1 ARG 49 -5.040 6.573 -16.638
315 HD2 ARG 49 HD2 ARG 49 -7.227 6.523 -17.637
316 HD3 ARG 49 HD1 ARG 49 -6.636 5.544 -18.978
317 HE ARG 49 HE ARG 49 -6.072 4.038 -16.795
318 HH11 ARG 49 HH11 ARG 49 -8.978 5.566 -17.979
319 HH12 ARG 49 HH12 ARG 49 -10.032 4.377 -17.292
320 HH21 ARG 49 HH21 ARG 49 -7.457 2.473 -15.891
321 HH22 ARG 49 HH22 ARG 49 -9.169 2.620 -16.107
322 H LEU 50 HN LEU 50 -3.676 9.419 -20.314
323 HA LEU 50 HA LEU 50 -5.571 9.730 -22.546
324 HB2 LEU 50 HB2 LEU 50 -5.821 11.115 -20.401
325 HB3 LEU 50 HB1 LEU 50 -4.389 11.977 -20.934
326 HG LEU 50 HG LEU 50 -5.832 12.246 -23.155
327 HD11 LEU 50 HD11 LEU 50 -7.998 12.361 -21.094
328 HD12 LEU 50 HD12 LEU 50 -7.671 10.873 -21.982
329 HD13 LEU 50 HD13 LEU 50 -8.131 12.337 -22.853
330 HD21 LEU 50 HD21 LEU 50 -6.699 14.401 -22.141
331 HD22 LEU 50 HD22 LEU 50 -4.958 14.135 -22.052
332 HD23 LEU 50 HD23 LEU 50 -5.964 13.869 -20.629
333 H LEU 51 HN LEU 51 -4.673 9.814 -24.488
334 HA LEU 51 HA LEU 51 -1.849 10.345 -24.796
335 HB2 LEU 51 HB2 LEU 51 -4.038 9.307 -26.501
336 HB3 LEU 51 HB1 LEU 51 -2.724 10.123 -27.328
337 HG LEU 51 HG LEU 51 -1.423 8.388 -25.598
338 HD11 LEU 51 HD11 LEU 51 -3.300 6.583 -26.968
339 HD12 LEU 51 HD12 LEU 51 -3.944 7.439 -25.566
340 HD13 LEU 51 HD13 LEU 51 -2.508 6.427 -25.400
341 HD21 LEU 51 HD21 LEU 51 -0.442 8.511 -27.637
342 HD22 LEU 51 HD22 LEU 51 -1.981 8.551 -28.498
343 HD23 LEU 51 HD23 LEU 51 -1.349 7.020 -27.894
344 H TRP 52 HN TRP 52 -1.069 11.867 -26.465
345 HA TRP 52 HA TRP 52 -2.815 14.176 -26.899
346 HB2 TRP 52 HB2 TRP 52 -0.130 14.230 -25.528
347 HB3 TRP 52 HB1 TRP 52 -0.825 15.659 -26.286
348 HD1 TRP 52 HD1 TRP 52 -1.407 13.259 -23.343
349 HE1 TRP 52 HE1 TRP 52 -2.938 14.426 -21.633
350 HE3 TRP 52 HE3 TRP 52 -2.567 17.455 -26.024
351 HZ2 TRP 52 HZ2 TRP 52 -4.437 16.810 -21.447
352 HZ3 TRP 52 HZ3 TRP 52 -4.056 19.129 -25.008
353 HH2 TRP 52 HH2 TRP 52 -4.972 18.813 -22.767
354 HA PRO 53 HA PRO 53 -1.009 14.197 -30.919
355 HB2 PRO 53 HB2 PRO 53 -1.120 16.834 -31.557
356 HB3 PRO 53 HB1 PRO 53 -2.550 15.799 -31.504
357 HG2 PRO 53 HG2 PRO 53 -1.525 17.718 -29.449
358 HG3 PRO 53 HG1 PRO 53 -3.189 17.454 -30.001
359 HD2 PRO 53 HD2 PRO 53 -2.240 16.405 -27.693
360 HD3 PRO 53 HD1 PRO 53 -3.460 15.579 -28.683
Start of MODEL 16
1 H1 GLU 1 HT1 GLU 1 -27.140 2.137 -0.743
2 H2 GLU 1 HT2 GLU 1 -25.764 2.717 0.102
3 H3 GLU 1 HT3 GLU 1 -26.664 1.397 0.728
4 HA GLU 1 HA GLU 1 -25.143 1.422 -1.792
5 HB2 GLU 1 HB2 GLU 1 -24.433 0.952 0.981
6 HB3 GLU 1 HB1 GLU 1 -24.136 -0.478 0.001
7 HG2 GLU 1 HG2 GLU 1 -23.201 2.077 -1.128
8 HG3 GLU 1 HG1 GLU 1 -22.368 1.512 0.320
9 H GLN 2 HN GLN 2 -24.642 -1.046 -2.227
10 HA GLN 2 HA GLN 2 -27.244 -2.319 -2.492
11 HB2 GLN 2 HB2 GLN 2 -24.553 -2.747 -3.748
12 HB3 GLN 2 HB1 GLN 2 -25.786 -3.995 -3.853
13 HG2 GLN 2 HG2 GLN 2 -27.277 -2.021 -4.708
14 HG3 GLN 2 HG1 GLN 2 -25.719 -1.283 -5.077
15 HE21 GLN 2 HE21 GLN 2 -28.121 -2.854 -6.469
16 HE22 GLN 2 HE22 GLN 2 -27.277 -3.757 -7.677
17 H ALA 3 HN ALA 3 -27.181 -4.814 -2.326
18 HA ALA 3 HA ALA 3 -26.638 -5.466 0.384
19 HB1 ALA 3 HB1 ALA 3 -27.139 -7.872 -0.686
20 HB2 ALA 3 HB2 ALA 3 -27.809 -6.843 -1.952
21 HB3 ALA 3 HB3 ALA 3 -28.403 -6.706 -0.297
22 HA PRO 4 HA PRO 4 -23.185 -8.354 -1.320
23 HB2 PRO 4 HB2 PRO 4 -22.538 -8.195 -3.947
24 HB3 PRO 4 HB1 PRO 4 -23.795 -9.275 -3.336
25 HG2 PRO 4 HG2 PRO 4 -24.070 -6.588 -4.626
26 HG3 PRO 4 HG1 PRO 4 -25.024 -8.059 -4.891
27 HD2 PRO 4 HD2 PRO 4 -25.886 -6.017 -3.331
28 HD3 PRO 4 HD1 PRO 4 -26.313 -7.710 -3.013
29 H GLY 5 HN GLY 5 -20.923 -7.980 -2.563
30 HA2 GLY 5 HA2 GLY 5 -19.670 -5.870 -3.383
31 HA3 GLY 5 HA1 GLY 5 -20.130 -5.251 -1.803
32 H THR 6 HN THR 6 -18.085 -7.469 -3.540
33 HA THR 6 HA THR 6 -16.462 -7.781 -1.105
34 HB THR 6 HB THR 6 -17.523 -9.898 -1.396
35 HG1 THR 6 HG1 THR 6 -15.567 -10.551 -0.976
36 HG21 THR 6 HG21 THR 6 -16.549 -10.033 -4.233
37 HG22 THR 6 HG22 THR 6 -18.185 -9.543 -3.789
38 HG23 THR 6 HG23 THR 6 -17.609 -11.161 -3.387
39 H ALA 7 HN ALA 7 -14.209 -8.716 -1.783
40 HA ALA 7 HA ALA 7 -12.217 -8.351 -2.816
41 HB1 ALA 7 HB1 ALA 7 -13.940 -7.862 -5.243
42 HB2 ALA 7 HB2 ALA 7 -13.287 -9.416 -4.727
43 HB3 ALA 7 HB3 ALA 7 -12.198 -8.134 -5.254
44 HA PRO 8 HA PRO 8 -13.022 -3.708 -2.658
45 HB2 PRO 8 HB2 PRO 8 -12.360 -3.189 -0.110
46 HB3 PRO 8 HB1 PRO 8 -13.984 -3.728 -0.554
47 HG2 PRO 8 HG2 PRO 8 -11.712 -5.304 0.592
48 HG3 PRO 8 HG1 PRO 8 -13.433 -5.354 1.014
49 HD2 PRO 8 HD2 PRO 8 -12.215 -7.172 -0.635
50 HD3 PRO 8 HD1 PRO 8 -13.940 -6.765 -0.717
51 H CYS 9 HN CYS 9 -10.918 -4.790 -3.902
52 HA CYS 9 HA CYS 9 -8.431 -4.339 -2.590
53 HB2 CYS 9 HB2 CYS 9 -9.305 -5.115 -5.323
54 HB3 CYS 9 HB1 CYS 9 -7.696 -4.420 -5.160
55 H SER 10 HN SER 10 -9.737 -2.769 -5.512
56 HA SER 10 HA SER 10 -8.020 -0.576 -5.464
57 HB2 SER 10 HB2 SER 10 -10.580 -1.231 -6.809
58 HB3 SER 10 HB1 SER 10 -10.159 0.479 -6.725
59 HG SER 10 HG SER 10 -8.340 0.098 -7.879
60 H ARG 11 HN ARG 11 -8.361 1.618 -4.885
61 HA ARG 11 HA ARG 11 -8.929 3.298 -3.462
62 HB2 ARG 11 HB2 ARG 11 -11.559 1.842 -3.652
63 HB3 ARG 11 HB1 ARG 11 -11.371 3.300 -2.687
64 HG2 ARG 11 HG2 ARG 11 -10.322 4.140 -5.019
65 HG3 ARG 11 HG1 ARG 11 -11.498 2.961 -5.605
66 HD2 ARG 11 HD2 ARG 11 -12.968 4.278 -3.747
67 HD3 ARG 11 HD1 ARG 11 -11.910 5.571 -4.309
68 HE ARG 11 HE ARG 11 -14.051 4.332 -5.763
69 HH11 ARG 11 HH11 ARG 11 -11.026 6.047 -6.062
70 HH12 ARG 11 HH12 ARG 11 -11.380 6.648 -7.646
71 HH21 ARG 11 HH21 ARG 11 -14.518 5.121 -7.847
72 HH22 ARG 11 HH22 ARG 11 -13.363 6.124 -8.660
73 H GLY 12 HN GLY 12 -7.684 3.053 -1.687
74 HA2 GLY 12 HA2 GLY 12 -7.763 2.922 0.713
75 HA3 GLY 12 HA1 GLY 12 -8.886 1.580 0.561
76 H SER 13 HN SER 13 -8.120 -0.472 0.460
77 HA SER 13 HA SER 13 -5.565 -1.039 1.418
78 HB2 SER 13 HB2 SER 13 -7.121 -3.009 -0.242
79 HB3 SER 13 HB1 SER 13 -6.111 -3.310 1.172
80 HG SER 13 HG SER 13 -7.794 -3.007 2.378
81 H SER 14 HN SER 14 -4.455 -3.026 -0.101
82 HA SER 14 HA SER 14 -3.983 -2.060 -2.769
83 HB2 SER 14 HB2 SER 14 -1.855 -1.936 -0.635
84 HB3 SER 14 HB1 SER 14 -1.468 -1.973 -2.356
85 HG SER 14 HG SER 14 -2.855 0.006 -0.895
86 H TRP 15 HN TRP 15 -3.132 -3.594 -4.133
87 HA TRP 15 HA TRP 15 -3.450 -6.302 -3.373
88 HB2 TRP 15 HB2 TRP 15 -3.888 -5.893 -5.627
89 HB3 TRP 15 HB1 TRP 15 -2.461 -4.886 -5.827
90 HD1 TRP 15 HD1 TRP 15 -0.279 -6.042 -6.668
91 HE1 TRP 15 HE1 TRP 15 0.306 -8.436 -7.408
92 HE3 TRP 15 HE3 TRP 15 -4.496 -8.445 -5.060
93 HZ2 TRP 15 HZ2 TRP 15 -0.866 -11.001 -7.321
94 HZ3 TRP 15 HZ3 TRP 15 -4.686 -10.869 -5.429
95 HH2 TRP 15 HH2 TRP 15 -2.906 -12.120 -6.537
96 H SER 16 HN SER 16 -1.740 -7.980 -3.678
97 HA SER 16 HA SER 16 0.952 -7.084 -3.083
98 HB2 SER 16 HB2 SER 16 -0.080 -9.324 -1.410
99 HB3 SER 16 HB1 SER 16 1.165 -8.131 -1.043
100 HG SER 16 HG SER 16 -1.635 -7.666 -1.126
101 H ALA 17 HN ALA 17 2.236 -8.054 -4.493
102 HA ALA 17 HA ALA 17 1.405 -10.494 -5.812
103 HB1 ALA 17 HB1 ALA 17 3.643 -10.127 -7.027
104 HB2 ALA 17 HB2 ALA 17 3.665 -8.566 -6.208
105 HB3 ALA 17 HB3 ALA 17 2.342 -8.968 -7.302
106 H ASP 18 HN ASP 18 3.523 -9.546 -3.251
107 HA ASP 18 HA ASP 18 5.434 -11.544 -3.258
108 HB2 ASP 18 HB2 ASP 18 4.187 -9.841 -1.170
109 HB3 ASP 18 HB1 ASP 18 5.077 -11.254 -0.612
110 H LEU 19 HN LEU 19 2.055 -11.737 -2.460
111 HA LEU 19 HA LEU 19 2.277 -14.623 -2.261
112 HB2 LEU 19 HB2 LEU 19 0.775 -14.540 -0.174
113 HB3 LEU 19 HB1 LEU 19 2.497 -14.278 0.017
114 HG LEU 19 HG LEU 19 1.584 -11.718 -0.319
115 HD11 LEU 19 HD11 LEU 19 -0.509 -11.407 0.385
116 HD12 LEU 19 HD12 LEU 19 -0.336 -12.567 1.701
117 HD13 LEU 19 HD13 LEU 19 -0.733 -13.129 0.078
118 HD21 LEU 19 HD21 LEU 19 3.178 -12.303 1.342
119 HD22 LEU 19 HD22 LEU 19 2.020 -13.332 2.183
120 HD23 LEU 19 HD23 LEU 19 1.804 -11.582 2.179
121 H ASP 20 HN ASP 20 1.028 -12.484 -3.981
122 HA ASP 20 HA ASP 20 -0.948 -12.001 -5.032
123 HB2 ASP 20 HB2 ASP 20 -1.406 -14.962 -4.622
124 HB3 ASP 20 HB1 ASP 20 -2.093 -13.953 -5.891
125 H LYS 21 HN LYS 21 -1.769 -10.744 -3.242
126 HA LYS 21 HA LYS 21 -4.403 -11.418 -2.551
127 HB2 LYS 21 HB2 LYS 21 -2.405 -12.484 -0.790
128 HB3 LYS 21 HB1 LYS 21 -3.338 -11.268 0.070
129 HG2 LYS 21 HG2 LYS 21 -5.041 -12.661 0.306
130 HG3 LYS 21 HG1 LYS 21 -5.096 -12.965 -1.432
131 HD2 LYS 21 HD2 LYS 21 -4.063 -14.942 -1.224
132 HD3 LYS 21 HD1 LYS 21 -2.866 -14.296 -0.101
133 HE2 LYS 21 HE2 LYS 21 -5.556 -14.531 1.027
134 HE3 LYS 21 HE1 LYS 21 -4.847 -16.071 0.540
135 HZ1 LYS 21 HZ1 LYS 21 -4.118 -15.821 2.699
136 HZ2 LYS 21 HZ2 LYS 21 -3.893 -14.150 2.559
137 HZ3 LYS 21 HZ3 LYS 21 -2.803 -15.214 1.824
138 H CYS 22 HN CYS 22 -5.494 -9.713 -1.493
139 HA CYS 22 HA CYS 22 -4.093 -7.175 -1.690
140 HB2 CYS 22 HB2 CYS 22 -6.843 -8.068 -1.910
141 HB3 CYS 22 HB1 CYS 22 -6.711 -6.680 -0.837
142 H MET 23 HN MET 23 -3.720 -5.780 -0.014
143 HA MET 23 HA MET 23 -4.557 -6.568 2.655
144 HB2 MET 23 HB2 MET 23 -2.241 -7.437 2.194
145 HB3 MET 23 HB1 MET 23 -1.718 -5.767 2.031
146 HG2 MET 23 HG2 MET 23 -1.213 -5.986 4.201
147 HG3 MET 23 HG1 MET 23 -2.928 -5.646 4.429
148 HE1 MET 23 HE1 MET 23 -2.410 -7.072 7.045
149 HE2 MET 23 HE2 MET 23 -0.814 -6.985 6.302
150 HE3 MET 23 HE3 MET 23 -1.422 -8.525 6.906
151 H ASP 24 HN ASP 24 -5.106 -4.899 3.958
152 HA ASP 24 HA ASP 24 -5.537 -2.360 2.844
153 HB2 ASP 24 HB2 ASP 24 -6.452 -3.658 5.056
154 HB3 ASP 24 HB1 ASP 24 -5.368 -2.478 5.786
155 H CYS 25 HN CYS 25 -4.693 -0.294 3.698
156 HA CYS 25 HA CYS 25 -1.834 -0.288 3.590
157 HB2 CYS 25 HB2 CYS 25 -3.690 1.502 2.831
158 HB3 CYS 25 HB1 CYS 25 -3.282 2.171 4.408
159 H ALA 26 HN ALA 26 -4.237 -0.053 6.109
160 HA ALA 26 HA ALA 26 -2.411 0.897 8.115
161 HB1 ALA 26 HB1 ALA 26 -4.960 -0.462 8.837
162 HB2 ALA 26 HB2 ALA 26 -5.031 1.076 7.978
163 HB3 ALA 26 HB3 ALA 26 -4.207 0.972 9.534
164 H SER 27 HN SER 27 -0.926 -0.980 7.296
165 HA SER 27 HA SER 27 -0.608 -2.785 9.414
166 HB2 SER 27 HB2 SER 27 -2.625 -3.690 7.861
167 HB3 SER 27 HB1 SER 27 -1.254 -4.420 7.025
168 HG SER 27 HG SER 27 -1.914 -5.831 8.611
169 H CYS 28 HN CYS 28 1.249 -1.247 8.573
170 HA CYS 28 HA CYS 28 3.053 -2.961 7.064
171 HB2 CYS 28 HB2 CYS 28 1.961 -0.852 5.828
172 HB3 CYS 28 HB1 CYS 28 3.316 -0.043 6.609
173 H ARG 29 HN ARG 29 3.041 -2.860 9.794
174 HA ARG 29 HA ARG 29 4.660 -0.930 11.001
175 HB2 ARG 29 HB2 ARG 29 4.265 -3.851 11.669
176 HB3 ARG 29 HB1 ARG 29 5.140 -2.728 12.700
177 HG2 ARG 29 HG2 ARG 29 3.164 -1.418 13.053
178 HG3 ARG 29 HG1 ARG 29 2.269 -2.375 11.872
179 HD2 ARG 29 HD2 ARG 29 2.428 -4.332 13.275
180 HD3 ARG 29 HD1 ARG 29 3.456 -3.470 14.418
181 HE ARG 29 HE ARG 29 1.183 -1.979 14.327
182 HH11 ARG 29 HH11 ARG 29 1.858 -5.345 14.957
183 HH12 ARG 29 HH12 ARG 29 0.509 -5.545 16.023
184 HH21 ARG 29 HH21 ARG 29 -0.593 -2.241 15.729
185 HH22 ARG 29 HH22 ARG 29 -0.884 -3.784 16.461
186 H ALA 30 HN ALA 30 5.447 -3.722 9.076
187 HA ALA 30 HA ALA 30 8.258 -3.708 9.683
188 HB1 ALA 30 HB1 ALA 30 7.025 -5.751 9.022
189 HB2 ALA 30 HB2 ALA 30 8.428 -5.428 8.001
190 HB3 ALA 30 HB3 ALA 30 6.805 -5.056 7.416
191 H ARG 31 HN ARG 31 6.167 -2.119 7.463
192 HA ARG 31 HA ARG 31 6.444 -0.717 5.749
193 HB2 ARG 31 HB2 ARG 31 7.561 0.448 7.696
194 HB3 ARG 31 HB1 ARG 31 9.089 0.021 6.971
195 HG2 ARG 31 HG2 ARG 31 8.553 2.244 6.314
196 HG3 ARG 31 HG1 ARG 31 8.356 1.204 4.899
197 HD2 ARG 31 HD2 ARG 31 6.333 2.139 4.702
198 HD3 ARG 31 HD1 ARG 31 5.875 1.103 6.057
199 HE ARG 31 HE ARG 31 5.770 2.957 7.395
200 HH11 ARG 31 HH11 ARG 31 7.480 3.782 4.466
201 HH12 ARG 31 HH12 ARG 31 7.520 5.477 4.819
202 HH21 ARG 31 HH21 ARG 31 5.823 5.186 7.861
203 HH22 ARG 31 HH22 ARG 31 6.581 6.274 6.747
204 HA PRO 32 HA PRO 32 9.902 -1.837 2.850
205 HB2 PRO 32 HB2 PRO 32 12.426 -2.381 3.683
206 HB3 PRO 32 HB1 PRO 32 11.852 -0.738 3.376
207 HG2 PRO 32 HG2 PRO 32 12.100 -2.202 5.976
208 HG3 PRO 32 HG1 PRO 32 12.557 -0.533 5.586
209 HD2 PRO 32 HD2 PRO 32 10.271 -1.121 6.870
210 HD3 PRO 32 HD1 PRO 32 10.385 0.231 5.728
211 H HIS 33 HN HIS 33 8.340 -3.710 3.384
212 HA HIS 33 HA HIS 33 9.718 -6.142 3.001
213 HB2 HIS 33 HB2 HIS 33 9.382 -5.394 5.724
214 HB3 HIS 33 HB1 HIS 33 8.287 -6.735 5.408
215 HD1 HIS 33 HD1 HIS 33 11.575 -6.520 3.636
216 HD2 HIS 33 HD2 HIS 33 9.868 -8.536 6.844
217 HE1 HIS 33 HE1 HIS 33 13.213 -8.329 4.242
218 HE2 HIS 33 HE2 HIS 33 12.202 -9.476 6.244
219 H SER 34 HN SER 34 7.664 -4.756 1.693
220 HA SER 34 HA SER 34 5.775 -6.838 1.346
221 HB2 SER 34 HB2 SER 34 4.995 -4.480 3.005
222 HB3 SER 34 HB1 SER 34 3.804 -5.152 1.891
223 HG SER 34 HG SER 34 5.109 -6.433 4.049
224 H ASP 35 HN ASP 35 4.947 -6.749 -0.660
225 HA ASP 35 HA ASP 35 5.815 -4.681 -2.414
226 HB2 ASP 35 HB2 ASP 35 5.481 -7.181 -2.944
227 HB3 ASP 35 HB1 ASP 35 3.776 -6.775 -3.122
228 H PHE 36 HN PHE 36 2.832 -5.446 -0.763
229 HA PHE 36 HA PHE 36 1.113 -3.807 -2.293
230 HB2 PHE 36 HB2 PHE 36 -0.460 -4.030 -0.460
231 HB3 PHE 36 HB1 PHE 36 0.322 -5.579 -0.752
232 HD1 PHE 36 HD2 PHE 36 0.472 -2.579 1.432
233 HD2 PHE 36 HD1 PHE 36 1.352 -6.719 0.987
234 HE1 PHE 36 HE2 PHE 36 1.114 -2.693 3.804
235 HE2 PHE 36 HE1 PHE 36 1.994 -6.841 3.360
236 HZ PHE 36 HZ PHE 36 1.875 -4.826 4.772
237 H CYS 37 HN CYS 37 3.235 -3.161 0.420
238 HA CYS 37 HA CYS 37 2.212 -0.589 1.042
239 HB2 CYS 37 HB2 CYS 37 4.079 -2.299 2.163
240 HB3 CYS 37 HB1 CYS 37 5.059 -0.951 1.598
241 H LEU 38 HN LEU 38 4.548 -1.775 -1.268
242 HA LEU 38 HA LEU 38 5.838 0.632 -1.896
243 HB2 LEU 38 HB2 LEU 38 6.179 -1.900 -2.670
244 HB3 LEU 38 HB1 LEU 38 5.294 -1.322 -4.068
245 HG LEU 38 HG LEU 38 7.547 0.386 -3.238
246 HD11 LEU 38 HD11 LEU 38 8.131 -2.215 -3.027
247 HD12 LEU 38 HD12 LEU 38 9.280 -1.017 -3.624
248 HD13 LEU 38 HD13 LEU 38 8.369 -2.008 -4.762
249 HD21 LEU 38 HD21 LEU 38 6.204 -0.535 -5.715
250 HD22 LEU 38 HD22 LEU 38 7.901 -0.071 -5.831
251 HD23 LEU 38 HD23 LEU 38 6.712 1.084 -5.232
252 H GLY 39 HN GLY 39 2.729 -0.648 -2.837
253 HA2 GLY 39 HA2 GLY 39 2.350 1.361 -4.901
254 HA3 GLY 39 HA1 GLY 39 1.196 0.124 -4.423
255 H CYS 40 HN CYS 40 1.044 0.637 -1.683
256 HA CYS 40 HA CYS 40 -0.773 2.829 -1.678
257 HB2 CYS 40 HB2 CYS 40 -0.773 0.676 -0.218
258 HB3 CYS 40 HB1 CYS 40 0.315 1.582 0.827
259 H ALA 41 HN ALA 41 2.590 2.466 -0.896
260 HA ALA 41 HA ALA 41 2.985 4.630 0.814
261 HB1 ALA 41 HB1 ALA 41 5.318 4.593 0.045
262 HB2 ALA 41 HB2 ALA 41 4.854 3.524 -1.278
263 HB3 ALA 41 HB3 ALA 41 4.710 2.975 0.391
264 H ALA 42 HN ALA 42 2.916 4.504 -2.724
265 HA ALA 42 HA ALA 42 2.640 6.120 -4.301
266 HB1 ALA 42 HB1 ALA 42 0.748 7.073 -3.528
267 HB2 ALA 42 HB2 ALA 42 1.822 8.428 -3.178
268 HB3 ALA 42 HB3 ALA 42 1.393 7.290 -1.901
269 H ALA 43 HN ALA 43 3.559 8.287 -1.645
270 HA ALA 43 HA ALA 43 6.286 8.496 -2.475
271 HB1 ALA 43 HB1 ALA 43 5.839 9.877 -4.211
272 HB2 ALA 43 HB2 ALA 43 5.803 11.092 -2.933
273 HB3 ALA 43 HB3 ALA 43 4.296 10.404 -3.538
274 HA PRO 44 HA PRO 44 5.389 9.816 1.868
275 HB2 PRO 44 HB2 PRO 44 7.349 8.351 3.015
276 HB3 PRO 44 HB1 PRO 44 5.763 7.674 2.628
277 HG2 PRO 44 HG2 PRO 44 8.337 7.458 1.113
278 HG3 PRO 44 HG1 PRO 44 7.133 6.202 1.458
279 HD2 PRO 44 HD2 PRO 44 7.279 7.491 -0.929
280 HD3 PRO 44 HD1 PRO 44 5.757 6.873 -0.258
281 HA PRO 45 HA PRO 45 8.557 12.907 1.935
282 HB2 PRO 45 HB2 PRO 45 8.577 13.554 4.567
283 HB3 PRO 45 HB1 PRO 45 7.263 14.016 3.479
284 HG2 PRO 45 HG2 PRO 45 7.404 11.741 5.420
285 HG3 PRO 45 HG1 PRO 45 6.063 12.857 5.099
286 HD2 PRO 45 HD2 PRO 45 6.161 10.352 4.067
287 HD3 PRO 45 HD1 PRO 45 5.392 11.708 3.217
288 H ALA 46 HN ALA 46 10.710 13.327 2.621
289 HA ALA 46 HA ALA 46 12.017 11.318 4.284
290 HB1 ALA 46 HB1 ALA 46 13.465 11.900 1.784
291 HB2 ALA 46 HB2 ALA 46 12.029 10.889 1.629
292 HB3 ALA 46 HB3 ALA 46 13.338 10.401 2.703
293 HA PRO 47 HA PRO 47 14.241 14.779 5.886
294 HB2 PRO 47 HB2 PRO 47 16.607 12.978 5.922
295 HB3 PRO 47 HB1 PRO 47 15.876 13.903 7.238
296 HG2 PRO 47 HG2 PRO 47 15.553 11.263 7.082
297 HG3 PRO 47 HG1 PRO 47 14.229 12.316 7.615
298 HD2 PRO 47 HD2 PRO 47 14.643 10.973 4.977
299 HD3 PRO 47 HD1 PRO 47 13.140 11.244 5.883
300 H PHE 48 HN PHE 48 15.525 16.408 5.141
301 HA PHE 48 HA PHE 48 16.603 16.087 2.451
302 HB2 PHE 48 HB2 PHE 48 15.120 18.015 3.001
303 HB3 PHE 48 HB1 PHE 48 16.348 18.599 4.119
304 HD1 PHE 48 HD2 PHE 48 15.994 17.567 0.553
305 HD2 PHE 48 HD1 PHE 48 17.848 20.166 3.367
306 HE1 PHE 48 HE2 PHE 48 17.086 18.777 -1.291
307 HE2 PHE 48 HE1 PHE 48 18.943 21.381 1.529
308 HZ PHE 48 HZ PHE 48 18.564 20.687 -0.804
309 H ARG 49 HN ARG 49 18.479 14.898 2.867
310 HA ARG 49 HA ARG 49 20.714 14.641 3.197
311 HB2 ARG 49 HB2 ARG 49 20.374 17.565 3.156
312 HB3 ARG 49 HB1 ARG 49 21.814 17.011 3.999
313 HG2 ARG 49 HG2 ARG 49 22.847 16.475 2.101
314 HG3 ARG 49 HG1 ARG 49 21.418 15.671 1.448
315 HD2 ARG 49 HD2 ARG 49 20.696 17.533 0.369
316 HD3 ARG 49 HD1 ARG 49 21.338 18.626 1.596
317 HE ARG 49 HE ARG 49 22.618 17.833 -0.809
318 HH11 ARG 49 HH11 ARG 49 23.255 18.630 2.528
319 HH12 ARG 49 HH12 ARG 49 24.874 19.163 2.222
320 HH21 ARG 49 HH21 ARG 49 24.748 18.532 -1.214
321 HH22 ARG 49 HH22 ARG 49 25.722 19.107 0.098
322 H LEU 50 HN LEU 50 19.834 17.129 5.599
323 HA LEU 50 HA LEU 50 19.897 17.140 7.870
324 HB2 LEU 50 HB2 LEU 50 19.055 14.553 7.193
325 HB3 LEU 50 HB1 LEU 50 20.302 14.329 8.402
326 HG LEU 50 HG LEU 50 17.827 16.026 8.729
327 HD11 LEU 50 HD11 LEU 50 17.003 13.898 8.913
328 HD12 LEU 50 HD12 LEU 50 17.515 14.188 10.576
329 HD13 LEU 50 HD13 LEU 50 18.530 13.236 9.493
330 HD21 LEU 50 HD21 LEU 50 18.606 16.750 10.721
331 HD22 LEU 50 HD22 LEU 50 20.172 16.475 9.959
332 HD23 LEU 50 HD23 LEU 50 19.492 15.260 11.041
333 H LEU 51 HN LEU 51 21.922 14.277 7.253
334 HA LEU 51 HA LEU 51 24.244 15.803 8.223
335 HB2 LEU 51 HB2 LEU 51 24.999 13.715 9.380
336 HB3 LEU 51 HB1 LEU 51 23.587 14.481 10.084
337 HG LEU 51 HG LEU 51 22.274 12.768 8.590
338 HD11 LEU 51 HD11 LEU 51 25.021 11.569 8.788
339 HD12 LEU 51 HD12 LEU 51 24.026 11.800 7.351
340 HD13 LEU 51 HD13 LEU 51 23.571 10.593 8.553
341 HD21 LEU 51 HD21 LEU 51 22.796 12.956 11.218
342 HD22 LEU 51 HD22 LEU 51 23.557 11.404 10.869
343 HD23 LEU 51 HD23 LEU 51 21.849 11.649 10.505
344 H TRP 52 HN TRP 52 26.301 14.313 7.871
345 HA TRP 52 HA TRP 52 26.416 12.471 5.793
346 HB2 TRP 52 HB2 TRP 52 25.941 15.094 4.828
347 HB3 TRP 52 HB1 TRP 52 27.611 14.698 4.432
348 HD1 TRP 52 HD1 TRP 52 24.523 14.650 2.753
349 HE1 TRP 52 HE1 TRP 52 24.337 12.766 1.009
350 HE3 TRP 52 HE3 TRP 52 28.369 11.684 4.348
351 HZ2 TRP 52 HZ2 TRP 52 25.648 10.343 0.392
352 HZ3 TRP 52 HZ3 TRP 52 28.837 9.601 3.126
353 HH2 TRP 52 HH2 TRP 52 27.504 8.945 1.190
354 HA PRO 53 HA PRO 53 30.859 14.533 6.514
355 HB2 PRO 53 HB2 PRO 53 30.088 16.011 8.985
356 HB3 PRO 53 HB1 PRO 53 31.263 16.441 7.737
357 HG2 PRO 53 HG2 PRO 53 28.895 17.650 7.838
358 HG3 PRO 53 HG1 PRO 53 29.632 17.220 6.283
359 HD2 PRO 53 HD2 PRO 53 27.387 15.909 7.747
360 HD3 PRO 53 HD1 PRO 53 27.625 16.123 6.002
Start of MODEL 17
1 H1 GLU 1 HT1 GLU 1 6.044 -0.236 -24.056
2 H2 GLU 1 HT2 GLU 1 4.794 0.836 -23.573
3 H3 GLU 1 HT3 GLU 1 4.702 0.032 -25.087
4 HA GLU 1 HA GLU 1 3.267 -1.114 -23.745
5 HB2 GLU 1 HB2 GLU 1 5.953 -2.307 -24.191
6 HB3 GLU 1 HB1 GLU 1 4.845 -3.209 -23.168
7 HG2 GLU 1 HG2 GLU 1 3.854 -2.206 -25.782
8 HG3 GLU 1 HG1 GLU 1 4.946 -3.590 -25.766
9 H GLN 2 HN GLN 2 2.712 -2.125 -21.742
10 HA GLN 2 HA GLN 2 4.369 -2.011 -19.447
11 HB2 GLN 2 HB2 GLN 2 3.019 -0.296 -18.202
12 HB3 GLN 2 HB1 GLN 2 4.030 0.353 -19.486
13 HG2 GLN 2 HG2 GLN 2 2.233 1.407 -20.230
14 HG3 GLN 2 HG1 GLN 2 1.613 -0.165 -20.730
15 HE21 GLN 2 HE21 GLN 2 1.861 1.837 -17.809
16 HE22 GLN 2 HE22 GLN 2 0.270 1.491 -17.230
17 H ALA 3 HN ALA 3 3.298 -2.794 -17.527
18 HA ALA 3 HA ALA 3 1.259 -4.712 -18.151
19 HB1 ALA 3 HB1 ALA 3 2.959 -5.379 -16.619
20 HB2 ALA 3 HB2 ALA 3 1.446 -5.282 -15.718
21 HB3 ALA 3 HB3 ALA 3 2.642 -3.994 -15.573
22 HA PRO 4 HA PRO 4 -2.227 -2.193 -17.064
23 HB2 PRO 4 HB2 PRO 4 -4.090 -4.120 -16.753
24 HB3 PRO 4 HB1 PRO 4 -3.452 -3.671 -18.340
25 HG2 PRO 4 HG2 PRO 4 -2.717 -5.984 -16.588
26 HG3 PRO 4 HG1 PRO 4 -2.979 -5.947 -18.341
27 HD2 PRO 4 HD2 PRO 4 -0.505 -5.910 -17.203
28 HD3 PRO 4 HD1 PRO 4 -0.867 -5.148 -18.765
29 H GLY 5 HN GLY 5 -1.729 -5.120 -15.087
30 HA2 GLY 5 HA2 GLY 5 -1.758 -5.411 -12.807
31 HA3 GLY 5 HA1 GLY 5 -1.641 -3.664 -12.653
32 H THR 6 HN THR 6 -4.022 -6.144 -13.597
33 HA THR 6 HA THR 6 -6.056 -4.587 -12.140
34 HB THR 6 HB THR 6 -6.756 -6.569 -14.279
35 HG1 THR 6 HG1 THR 6 -6.040 -5.314 -15.780
36 HG21 THR 6 HG21 THR 6 -8.804 -5.741 -14.134
37 HG22 THR 6 HG22 THR 6 -8.219 -4.080 -14.206
38 HG23 THR 6 HG23 THR 6 -8.277 -4.929 -12.661
39 H ALA 7 HN ALA 7 -6.722 -5.507 -10.324
40 HA ALA 7 HA ALA 7 -6.958 -8.429 -10.211
41 HB1 ALA 7 HB1 ALA 7 -4.914 -8.144 -9.108
42 HB2 ALA 7 HB2 ALA 7 -6.100 -8.257 -7.808
43 HB3 ALA 7 HB3 ALA 7 -5.461 -6.684 -8.284
44 HA PRO 8 HA PRO 8 -10.879 -7.711 -8.333
45 HB2 PRO 8 HB2 PRO 8 -10.405 -9.906 -6.432
46 HB3 PRO 8 HB1 PRO 8 -11.592 -9.786 -7.732
47 HG2 PRO 8 HG2 PRO 8 -9.479 -11.438 -7.890
48 HG3 PRO 8 HG1 PRO 8 -10.140 -10.618 -9.317
49 HD2 PRO 8 HD2 PRO 8 -7.719 -9.935 -7.687
50 HD3 PRO 8 HD1 PRO 8 -7.933 -9.915 -9.451
51 H CYS 9 HN CYS 9 -9.568 -5.761 -7.366
52 HA CYS 9 HA CYS 9 -10.330 -5.580 -4.622
53 HB2 CYS 9 HB2 CYS 9 -7.727 -6.472 -5.108
54 HB3 CYS 9 HB1 CYS 9 -7.549 -4.765 -4.718
55 H SER 10 HN SER 10 -11.362 -3.699 -4.677
56 HA SER 10 HA SER 10 -9.944 -1.304 -5.443
57 HB2 SER 10 HB2 SER 10 -11.057 -2.294 -7.556
58 HB3 SER 10 HB1 SER 10 -12.578 -1.787 -6.820
59 HG SER 10 HG SER 10 -11.858 -0.123 -8.105
60 H ARG 11 HN ARG 11 -10.221 -0.568 -3.367
61 HA ARG 11 HA ARG 11 -12.737 0.652 -2.774
62 HB2 ARG 11 HB2 ARG 11 -12.741 -1.893 -1.981
63 HB3 ARG 11 HB1 ARG 11 -11.892 -1.204 -0.603
64 HG2 ARG 11 HG2 ARG 11 -13.715 0.013 0.086
65 HG3 ARG 11 HG1 ARG 11 -14.433 0.050 -1.525
66 HD2 ARG 11 HD2 ARG 11 -15.770 -1.414 -0.240
67 HD3 ARG 11 HD1 ARG 11 -14.790 -2.436 -1.291
68 HE ARG 11 HE ARG 11 -13.363 -2.234 1.041
69 HH11 ARG 11 HH11 ARG 11 -16.566 -3.315 0.171
70 HH12 ARG 11 HH12 ARG 11 -16.659 -4.472 1.456
71 HH21 ARG 11 HH21 ARG 11 -13.485 -3.754 2.731
72 HH22 ARG 11 HH22 ARG 11 -14.911 -4.721 2.910
73 H GLY 12 HN GLY 12 -10.013 -0.574 -0.817
74 HA2 GLY 12 HA2 GLY 12 -8.825 2.019 -0.578
75 HA3 GLY 12 HA1 GLY 12 -9.723 1.577 0.865
76 H SER 13 HN SER 13 -8.069 -0.786 -1.116
77 HA SER 13 HA SER 13 -5.853 -0.904 0.787
78 HB2 SER 13 HB2 SER 13 -7.450 -3.357 0.032
79 HB3 SER 13 HB1 SER 13 -6.108 -3.269 1.174
80 HG SER 13 HG SER 13 -8.751 -2.366 1.449
81 H SER 14 HN SER 14 -3.970 -1.878 -0.018
82 HA SER 14 HA SER 14 -3.728 -1.764 -2.874
83 HB2 SER 14 HB2 SER 14 -1.273 -2.406 -2.222
84 HB3 SER 14 HB1 SER 14 -1.886 -0.795 -1.850
85 HG SER 14 HG SER 14 -2.143 -2.875 0.027
86 H TRP 15 HN TRP 15 -1.996 -3.549 -3.689
87 HA TRP 15 HA TRP 15 -3.178 -6.168 -3.035
88 HB2 TRP 15 HB2 TRP 15 -3.900 -5.699 -5.227
89 HB3 TRP 15 HB1 TRP 15 -2.363 -4.972 -5.675
90 HD1 TRP 15 HD1 TRP 15 -0.808 -6.460 -7.059
91 HE1 TRP 15 HE1 TRP 15 -0.655 -8.972 -7.591
92 HE3 TRP 15 HE3 TRP 15 -4.499 -8.180 -3.966
93 HZ2 TRP 15 HZ2 TRP 15 -1.929 -11.361 -6.804
94 HZ3 TRP 15 HZ3 TRP 15 -4.972 -10.591 -3.919
95 HH2 TRP 15 HH2 TRP 15 -3.711 -12.149 -5.311
96 H SER 16 HN SER 16 -1.737 -8.023 -3.324
97 HA SER 16 HA SER 16 1.097 -7.381 -3.239
98 HB2 SER 16 HB2 SER 16 0.243 -9.481 -1.347
99 HB3 SER 16 HB1 SER 16 1.479 -8.238 -1.167
100 HG SER 16 HG SER 16 -1.327 -7.867 -0.952
101 H ALA 17 HN ALA 17 2.313 -8.716 -4.424
102 HA ALA 17 HA ALA 17 1.004 -11.034 -5.630
103 HB1 ALA 17 HB1 ALA 17 2.294 -10.713 -7.453
104 HB2 ALA 17 HB2 ALA 17 3.719 -10.289 -6.505
105 HB3 ALA 17 HB3 ALA 17 2.457 -9.089 -6.787
106 H ASP 18 HN ASP 18 3.409 -10.240 -3.298
107 HA ASP 18 HA ASP 18 5.143 -12.380 -3.371
108 HB2 ASP 18 HB2 ASP 18 4.288 -10.429 -1.390
109 HB3 ASP 18 HB1 ASP 18 4.687 -11.976 -0.650
110 H LEU 19 HN LEU 19 1.840 -12.264 -2.228
111 HA LEU 19 HA LEU 19 1.780 -15.167 -2.140
112 HB2 LEU 19 HB2 LEU 19 0.488 -14.987 0.082
113 HB3 LEU 19 HB1 LEU 19 2.240 -14.920 0.115
114 HG LEU 19 HG LEU 19 1.476 -12.255 -0.113
115 HD11 LEU 19 HD11 LEU 19 -0.384 -11.823 1.066
116 HD12 LEU 19 HD12 LEU 19 -0.085 -13.126 2.216
117 HD13 LEU 19 HD13 LEU 19 -0.814 -13.481 0.650
118 HD21 LEU 19 HD21 LEU 19 1.973 -12.470 2.509
119 HD22 LEU 19 HD22 LEU 19 3.235 -12.548 1.280
120 HD23 LEU 19 HD23 LEU 19 2.584 -14.034 1.971
121 H ASP 20 HN ASP 20 0.610 -12.842 -3.674
122 HA ASP 20 HA ASP 20 -1.395 -12.113 -4.508
123 HB2 ASP 20 HB2 ASP 20 -1.955 -15.070 -4.200
124 HB3 ASP 20 HB1 ASP 20 -2.886 -13.965 -5.208
125 H LYS 21 HN LYS 21 -1.941 -10.861 -2.629
126 HA LYS 21 HA LYS 21 -4.537 -11.409 -1.666
127 HB2 LYS 21 HB2 LYS 21 -2.265 -12.271 -0.004
128 HB3 LYS 21 HB1 LYS 21 -3.451 -11.282 0.838
129 HG2 LYS 21 HG2 LYS 21 -5.143 -12.954 -0.298
130 HG3 LYS 21 HG1 LYS 21 -3.722 -14.001 -0.322
131 HD2 LYS 21 HD2 LYS 21 -3.464 -13.785 2.066
132 HD3 LYS 21 HD1 LYS 21 -4.774 -12.604 2.137
133 HE2 LYS 21 HE2 LYS 21 -6.003 -14.416 2.685
134 HE3 LYS 21 HE1 LYS 21 -6.053 -14.639 0.936
135 HZ1 LYS 21 HZ1 LYS 21 -5.315 -16.677 1.505
136 HZ2 LYS 21 HZ2 LYS 21 -4.625 -16.162 2.961
137 HZ3 LYS 21 HZ3 LYS 21 -3.805 -15.913 1.503
138 H CYS 22 HN CYS 22 -5.481 -9.509 -1.296
139 HA CYS 22 HA CYS 22 -4.148 -7.074 -1.575
140 HB2 CYS 22 HB2 CYS 22 -6.797 -7.561 -0.198
141 HB3 CYS 22 HB1 CYS 22 -6.232 -6.028 -0.851
142 H MET 23 HN MET 23 -4.198 -5.282 0.099
143 HA MET 23 HA MET 23 -4.034 -6.019 2.850
144 HB2 MET 23 HB2 MET 23 -1.673 -6.261 1.296
145 HB3 MET 23 HB1 MET 23 -1.471 -4.857 2.334
146 HG2 MET 23 HG2 MET 23 -1.375 -6.089 4.215
147 HG3 MET 23 HG1 MET 23 -2.545 -7.271 3.633
148 HE1 MET 23 HE1 MET 23 0.451 -7.120 5.127
149 HE2 MET 23 HE2 MET 23 1.387 -8.486 4.518
150 HE3 MET 23 HE3 MET 23 -0.223 -8.749 5.191
151 H ASP 24 HN ASP 24 -4.656 -4.329 4.019
152 HA ASP 24 HA ASP 24 -5.298 -1.857 2.874
153 HB2 ASP 24 HB2 ASP 24 -6.047 -3.034 5.132
154 HB3 ASP 24 HB1 ASP 24 -4.773 -2.022 5.807
155 H CYS 25 HN CYS 25 -4.386 0.212 3.132
156 HA CYS 25 HA CYS 25 -1.640 0.402 2.747
157 HB2 CYS 25 HB2 CYS 25 -3.818 2.160 2.726
158 HB3 CYS 25 HB1 CYS 25 -2.705 2.832 3.912
159 H ALA 26 HN ALA 26 -3.491 0.353 5.693
160 HA ALA 26 HA ALA 26 -1.243 1.224 7.314
161 HB1 ALA 26 HB1 ALA 26 -4.024 0.345 8.074
162 HB2 ALA 26 HB2 ALA 26 -3.430 2.002 7.957
163 HB3 ALA 26 HB3 ALA 26 -2.804 0.926 9.208
164 H SER 27 HN SER 27 -2.011 -1.618 5.854
165 HA SER 27 HA SER 27 -1.697 -3.519 7.905
166 HB2 SER 27 HB2 SER 27 -2.459 -3.758 5.384
167 HB3 SER 27 HB1 SER 27 -0.752 -4.123 5.137
168 HG SER 27 HG SER 27 -1.076 -5.683 6.928
169 H CYS 28 HN CYS 28 0.555 -1.423 6.443
170 HA CYS 28 HA CYS 28 2.853 -3.085 6.926
171 HB2 CYS 28 HB2 CYS 28 2.342 -0.453 5.668
172 HB3 CYS 28 HB1 CYS 28 3.929 -0.672 6.399
173 H ARG 29 HN ARG 29 1.665 -2.985 9.274
174 HA ARG 29 HA ARG 29 2.835 -0.812 10.842
175 HB2 ARG 29 HB2 ARG 29 0.391 -2.005 11.004
176 HB3 ARG 29 HB1 ARG 29 1.281 -2.898 12.230
177 HG2 ARG 29 HG2 ARG 29 1.967 -0.633 13.158
178 HG3 ARG 29 HG1 ARG 29 0.723 0.046 12.106
179 HD2 ARG 29 HD2 ARG 29 -0.382 -0.256 14.132
180 HD3 ARG 29 HD1 ARG 29 -0.844 -1.676 13.195
181 HE ARG 29 HE ARG 29 1.470 -2.150 14.796
182 HH11 ARG 29 HH11 ARG 29 -2.013 -1.967 14.891
183 HH12 ARG 29 HH12 ARG 29 -2.157 -3.025 16.253
184 HH21 ARG 29 HH21 ARG 29 1.283 -3.542 16.590
185 HH22 ARG 29 HH22 ARG 29 -0.285 -3.920 17.219
186 H ALA 30 HN ALA 30 4.671 -2.608 9.740
187 HA ALA 30 HA ALA 30 6.128 -3.366 12.049
188 HB1 ALA 30 HB1 ALA 30 5.037 -5.320 12.388
189 HB2 ALA 30 HB2 ALA 30 6.146 -5.883 11.137
190 HB3 ALA 30 HB3 ALA 30 4.493 -5.435 10.714
191 H ARG 31 HN ARG 31 5.663 -4.051 8.592
192 HA ARG 31 HA ARG 31 8.508 -3.458 8.179
193 HB2 ARG 31 HB2 ARG 31 7.130 -5.990 7.659
194 HB3 ARG 31 HB1 ARG 31 7.997 -5.369 6.260
195 HG2 ARG 31 HG2 ARG 31 9.612 -6.648 7.257
196 HG3 ARG 31 HG1 ARG 31 9.950 -5.068 7.966
197 HD2 ARG 31 HD2 ARG 31 8.436 -5.775 9.880
198 HD3 ARG 31 HD1 ARG 31 8.519 -7.402 9.208
199 HE ARG 31 HE ARG 31 10.614 -7.601 10.087
200 HH11 ARG 31 HH11 ARG 31 9.816 -4.209 9.904
201 HH12 ARG 31 HH12 ARG 31 11.245 -3.699 10.738
202 HH21 ARG 31 HH21 ARG 31 12.493 -6.933 11.186
203 HH22 ARG 31 HH22 ARG 31 12.765 -5.246 11.466
204 HA PRO 32 HA PRO 32 5.989 -1.039 5.205
205 HB2 PRO 32 HB2 PRO 32 7.426 1.228 5.361
206 HB3 PRO 32 HB1 PRO 32 6.220 0.802 6.582
207 HG2 PRO 32 HG2 PRO 32 9.198 0.502 6.674
208 HG3 PRO 32 HG1 PRO 32 8.092 1.073 7.936
209 HD2 PRO 32 HD2 PRO 32 9.094 -1.470 7.839
210 HD3 PRO 32 HD1 PRO 32 7.536 -1.057 8.580
211 H HIS 33 HN HIS 33 7.446 -2.943 4.106
212 HA HIS 33 HA HIS 33 8.639 -1.676 1.845
213 HB2 HIS 33 HB2 HIS 33 10.365 -2.541 4.019
214 HB3 HIS 33 HB1 HIS 33 10.758 -3.364 2.513
215 HD1 HIS 33 HD1 HIS 33 11.720 -0.510 4.318
216 HD2 HIS 33 HD2 HIS 33 10.883 -1.216 0.310
217 HE1 HIS 33 HE1 HIS 33 12.833 1.362 3.060
218 HE2 HIS 33 HE2 HIS 33 12.259 0.949 0.641
219 H SER 34 HN SER 34 6.551 -3.143 1.606
220 HA SER 34 HA SER 34 7.474 -5.758 0.704
221 HB2 SER 34 HB2 SER 34 5.515 -5.228 2.655
222 HB3 SER 34 HB1 SER 34 4.635 -5.741 1.215
223 HG SER 34 HG SER 34 5.169 -7.669 1.851
224 H ASP 35 HN ASP 35 5.096 -6.497 -0.575
225 HA ASP 35 HA ASP 35 5.381 -5.078 -3.030
226 HB2 ASP 35 HB2 ASP 35 4.738 -7.614 -2.508
227 HB3 ASP 35 HB1 ASP 35 3.109 -6.956 -2.628
228 H PHE 36 HN PHE 36 2.644 -5.570 -0.804
229 HA PHE 36 HA PHE 36 0.898 -3.795 -2.119
230 HB2 PHE 36 HB2 PHE 36 -0.452 -3.892 -0.078
231 HB3 PHE 36 HB1 PHE 36 0.110 -5.496 -0.535
232 HD1 PHE 36 HD1 PHE 36 1.922 -6.581 0.744
233 HD2 PHE 36 HD2 PHE 36 0.192 -2.891 1.972
234 HE1 PHE 36 HE1 PHE 36 2.864 -6.893 2.995
235 HE2 PHE 36 HE2 PHE 36 1.132 -3.196 4.225
236 HZ PHE 36 HZ PHE 36 2.470 -5.198 4.739
237 H CYS 37 HN CYS 37 3.468 -3.284 0.154
238 HA CYS 37 HA CYS 37 2.650 -0.627 0.888
239 HB2 CYS 37 HB2 CYS 37 4.502 -2.508 1.856
240 HB3 CYS 37 HB1 CYS 37 5.463 -1.135 1.319
241 H LEU 38 HN LEU 38 4.705 -2.092 -1.528
242 HA LEU 38 HA LEU 38 6.179 0.162 -2.306
243 HB2 LEU 38 HB2 LEU 38 6.622 -2.195 -2.997
244 HB3 LEU 38 HB1 LEU 38 5.242 -2.097 -4.073
245 HG LEU 38 HG LEU 38 7.357 -0.035 -4.390
246 HD11 LEU 38 HD11 LEU 38 8.972 -1.368 -5.225
247 HD12 LEU 38 HD12 LEU 38 7.825 -2.551 -5.853
248 HD13 LEU 38 HD13 LEU 38 8.249 -2.557 -4.141
249 HD21 LEU 38 HD21 LEU 38 5.084 -0.573 -5.717
250 HD22 LEU 38 HD22 LEU 38 6.216 -1.556 -6.647
251 HD23 LEU 38 HD23 LEU 38 6.494 0.177 -6.467
252 H GLY 39 HN GLY 39 2.919 -0.857 -3.051
253 HA2 GLY 39 HA2 GLY 39 2.637 1.313 -5.007
254 HA3 GLY 39 HA1 GLY 39 1.493 0.003 -4.751
255 H CYS 40 HN CYS 40 1.606 0.354 -1.815
256 HA CYS 40 HA CYS 40 -0.275 2.588 -1.674
257 HB2 CYS 40 HB2 CYS 40 -0.465 0.061 -0.693
258 HB3 CYS 40 HB1 CYS 40 0.151 0.912 0.719
259 H ALA 41 HN ALA 41 2.748 2.800 -1.691
260 HA ALA 41 HA ALA 41 3.503 3.661 0.918
261 HB1 ALA 41 HB1 ALA 41 5.500 4.617 -0.355
262 HB2 ALA 41 HB2 ALA 41 4.793 3.862 -1.783
263 HB3 ALA 41 HB3 ALA 41 5.266 2.870 -0.403
264 H ALA 42 HN ALA 42 2.286 5.228 -1.977
265 HA ALA 42 HA ALA 42 2.654 7.880 -0.838
266 HB1 ALA 42 HB1 ALA 42 3.053 8.092 -3.063
267 HB2 ALA 42 HB2 ALA 42 1.315 8.393 -3.083
268 HB3 ALA 42 HB3 ALA 42 1.937 6.797 -3.500
269 H ALA 43 HN ALA 43 1.201 7.290 1.000
270 HA ALA 43 HA ALA 43 -1.299 8.530 0.720
271 HB1 ALA 43 HB1 ALA 43 -2.521 6.233 1.386
272 HB2 ALA 43 HB2 ALA 43 -1.268 5.607 0.314
273 HB3 ALA 43 HB3 ALA 43 -2.402 6.826 -0.270
274 HA PRO 44 HA PRO 44 0.461 7.808 5.022
275 HB2 PRO 44 HB2 PRO 44 0.593 10.730 5.147
276 HB3 PRO 44 HB1 PRO 44 1.863 9.542 5.442
277 HG2 PRO 44 HG2 PRO 44 1.868 11.149 3.274
278 HG3 PRO 44 HG1 PRO 44 2.519 9.500 3.236
279 HD2 PRO 44 HD2 PRO 44 -0.126 10.517 2.261
280 HD3 PRO 44 HD1 PRO 44 0.983 9.354 1.502
281 HA PRO 45 HA PRO 45 -3.870 8.661 6.130
282 HB2 PRO 45 HB2 PRO 45 -3.171 7.050 8.495
283 HB3 PRO 45 HB1 PRO 45 -4.443 6.793 7.298
284 HG2 PRO 45 HG2 PRO 45 -2.265 5.226 7.399
285 HG3 PRO 45 HG1 PRO 45 -3.045 5.646 5.862
286 HD2 PRO 45 HD2 PRO 45 -0.568 6.783 7.105
287 HD3 PRO 45 HD1 PRO 45 -0.888 6.369 5.408
288 H ALA 46 HN ALA 46 -4.761 9.058 8.567
289 HA ALA 46 HA ALA 46 -2.979 10.546 10.250
290 HB1 ALA 46 HB1 ALA 46 -3.598 12.071 8.254
291 HB2 ALA 46 HB2 ALA 46 -3.703 12.720 9.890
292 HB3 ALA 46 HB3 ALA 46 -5.165 12.203 9.051
293 HA PRO 47 HA PRO 47 -6.803 8.507 12.133
294 HB2 PRO 47 HB2 PRO 47 -4.685 7.934 14.144
295 HB3 PRO 47 HB1 PRO 47 -5.964 6.883 13.525
296 HG2 PRO 47 HG2 PRO 47 -3.443 6.563 12.732
297 HG3 PRO 47 HG1 PRO 47 -4.788 6.368 11.593
298 HD2 PRO 47 HD2 PRO 47 -2.878 8.645 11.903
299 HD3 PRO 47 HD1 PRO 47 -3.592 7.962 10.427
300 H PHE 48 HN PHE 48 -8.077 9.516 13.583
301 HA PHE 48 HA PHE 48 -8.835 11.088 15.040
302 HB2 PHE 48 HB2 PHE 48 -6.042 10.788 16.161
303 HB3 PHE 48 HB1 PHE 48 -7.355 11.640 16.966
304 HD1 PHE 48 HD1 PHE 48 -9.633 9.882 16.502
305 HD2 PHE 48 HD2 PHE 48 -5.597 8.929 17.452
306 HE1 PHE 48 HE1 PHE 48 -10.376 7.770 17.522
307 HE2 PHE 48 HE2 PHE 48 -6.332 6.815 18.474
308 HZ PHE 48 HZ PHE 48 -8.725 6.233 18.510
309 H ARG 49 HN ARG 49 -8.257 13.353 16.013
310 HA ARG 49 HA ARG 49 -6.529 14.895 14.240
311 HB2 ARG 49 HB2 ARG 49 -8.864 14.825 13.262
312 HB3 ARG 49 HB1 ARG 49 -9.402 15.708 14.684
313 HG2 ARG 49 HG2 ARG 49 -7.399 17.306 13.918
314 HG3 ARG 49 HG1 ARG 49 -7.846 16.628 12.352
315 HD2 ARG 49 HD2 ARG 49 -9.692 17.871 12.255
316 HD3 ARG 49 HD1 ARG 49 -10.182 17.382 13.876
317 HE ARG 49 HE ARG 49 -8.203 19.214 14.288
318 HH11 ARG 49 HH11 ARG 49 -11.231 19.221 12.551
319 HH12 ARG 49 HH12 ARG 49 -11.507 20.914 12.789
320 HH21 ARG 49 HH21 ARG 49 -8.566 21.441 14.601
321 HH22 ARG 49 HH22 ARG 49 -9.995 22.174 13.953
322 H LEU 50 HN LEU 50 -6.418 14.147 17.038
323 HA LEU 50 HA LEU 50 -6.561 16.830 18.249
324 HB2 LEU 50 HB2 LEU 50 -7.852 14.474 19.086
325 HB3 LEU 50 HB1 LEU 50 -6.543 14.730 20.222
326 HG LEU 50 HG LEU 50 -8.262 17.069 19.590
327 HD11 LEU 50 HD11 LEU 50 -9.708 16.145 21.585
328 HD12 LEU 50 HD12 LEU 50 -9.205 14.588 20.929
329 HD13 LEU 50 HD13 LEU 50 -10.085 15.729 19.914
330 HD21 LEU 50 HD21 LEU 50 -7.970 17.158 22.190
331 HD22 LEU 50 HD22 LEU 50 -6.642 17.617 21.124
332 HD23 LEU 50 HD23 LEU 50 -6.659 16.022 21.875
333 H LEU 51 HN LEU 51 -5.011 17.114 20.085
334 HA LEU 51 HA LEU 51 -2.447 15.853 19.394
335 HB2 LEU 51 HB2 LEU 51 -3.222 18.557 20.355
336 HB3 LEU 51 HB1 LEU 51 -1.676 17.924 20.887
337 HG LEU 51 HG LEU 51 -1.530 19.367 18.869
338 HD11 LEU 51 HD11 LEU 51 -0.666 16.497 18.759
339 HD12 LEU 51 HD12 LEU 51 0.286 17.927 19.156
340 HD13 LEU 51 HD13 LEU 51 -0.230 17.647 17.493
341 HD21 LEU 51 HD21 LEU 51 -2.643 18.965 16.947
342 HD22 LEU 51 HD22 LEU 51 -3.775 18.151 18.028
343 HD23 LEU 51 HD23 LEU 51 -2.570 17.214 17.143
344 H TRP 52 HN TRP 52 -0.878 15.979 21.399
345 HA TRP 52 HA TRP 52 -0.304 15.084 23.408
346 HB2 TRP 52 HB2 TRP 52 -3.036 16.165 24.087
347 HB3 TRP 52 HB1 TRP 52 -1.998 15.402 25.286
348 HD1 TRP 52 HD1 TRP 52 -2.586 18.660 23.528
349 HE1 TRP 52 HE1 TRP 52 -0.866 20.402 24.326
350 HE3 TRP 52 HE3 TRP 52 0.584 15.563 26.078
351 HZ2 TRP 52 HZ2 TRP 52 1.519 20.455 25.836
352 HZ3 TRP 52 HZ3 TRP 52 2.561 16.539 27.170
353 HH2 TRP 52 HH2 TRP 52 3.018 18.933 27.051
354 HA PRO 53 HA PRO 53 -1.879 10.932 22.442
355 HB2 PRO 53 HB2 PRO 53 0.108 10.364 24.594
356 HB3 PRO 53 HB1 PRO 53 -0.118 9.567 23.033
357 HG2 PRO 53 HG2 PRO 53 1.895 11.265 23.405
358 HG3 PRO 53 HG1 PRO 53 1.006 11.233 21.871
359 HD2 PRO 53 HD2 PRO 53 0.868 13.206 24.102
360 HD3 PRO 53 HD1 PRO 53 0.707 13.464 22.354
Start of MODEL 18
1 H1 GLU 1 HT1 GLU 1 0.751 4.704 20.781
2 H2 GLU 1 HT2 GLU 1 0.383 3.511 19.602
3 H3 GLU 1 HT3 GLU 1 1.956 4.194 19.673
4 HA GLU 1 HA GLU 1 2.446 3.157 21.661
5 HB2 GLU 1 HB2 GLU 1 -0.523 2.677 21.715
6 HB3 GLU 1 HB1 GLU 1 0.566 1.700 22.692
7 HG2 GLU 1 HG2 GLU 1 0.570 4.696 22.820
8 HG3 GLU 1 HG1 GLU 1 -0.520 3.713 23.797
9 H GLN 2 HN GLN 2 -0.049 1.559 19.668
10 HA GLN 2 HA GLN 2 1.959 -0.424 18.872
11 HB2 GLN 2 HB2 GLN 2 0.243 -2.218 19.103
12 HB3 GLN 2 HB1 GLN 2 0.738 -1.511 20.635
13 HG2 GLN 2 HG2 GLN 2 -1.454 0.000 19.796
14 HG3 GLN 2 HG1 GLN 2 -1.874 -1.677 19.452
15 HE21 GLN 2 HE21 GLN 2 -1.046 0.624 21.930
16 HE22 GLN 2 HE22 GLN 2 -1.577 -0.326 23.271
17 H ALA 3 HN ALA 3 1.449 -1.554 16.898
18 HA ALA 3 HA ALA 3 -0.792 -0.824 15.299
19 HB1 ALA 3 HB1 ALA 3 1.675 0.147 13.993
20 HB2 ALA 3 HB2 ALA 3 1.025 1.145 15.294
21 HB3 ALA 3 HB3 ALA 3 0.022 0.755 13.896
22 HA PRO 4 HA PRO 4 1.677 -4.686 14.212
23 HB2 PRO 4 HB2 PRO 4 -0.282 -6.479 14.770
24 HB3 PRO 4 HB1 PRO 4 0.881 -5.922 15.979
25 HG2 PRO 4 HG2 PRO 4 -1.936 -5.024 15.504
26 HG3 PRO 4 HG1 PRO 4 -1.111 -5.356 17.039
27 HD2 PRO 4 HD2 PRO 4 -1.468 -2.845 16.089
28 HD3 PRO 4 HD1 PRO 4 -0.055 -3.307 17.060
29 H GLY 5 HN GLY 5 -1.815 -4.128 13.729
30 HA2 GLY 5 HA2 GLY 5 -1.440 -4.322 10.852
31 HA3 GLY 5 HA1 GLY 5 -2.442 -5.575 11.570
32 H THR 6 HN THR 6 -3.853 -4.388 9.857
33 HA THR 6 HA THR 6 -5.341 -2.263 11.243
34 HB THR 6 HB THR 6 -4.967 -2.656 8.273
35 HG1 THR 6 HG1 THR 6 -3.851 -0.708 8.418
36 HG21 THR 6 HG21 THR 6 -6.080 -0.119 9.056
37 HG22 THR 6 HG22 THR 6 -7.138 -1.456 9.510
38 HG23 THR 6 HG23 THR 6 -6.629 -1.266 7.832
39 H ALA 7 HN ALA 7 -6.090 -4.198 8.407
40 HA ALA 7 HA ALA 7 -8.079 -5.755 9.791
41 HB1 ALA 7 HB1 ALA 7 -9.751 -4.802 7.889
42 HB2 ALA 7 HB2 ALA 7 -8.818 -3.353 8.265
43 HB3 ALA 7 HB3 ALA 7 -9.687 -4.200 9.545
44 HA PRO 8 HA PRO 8 -7.376 -8.526 6.435
45 HB2 PRO 8 HB2 PRO 8 -9.743 -9.776 6.118
46 HB3 PRO 8 HB1 PRO 8 -8.745 -10.004 7.560
47 HG2 PRO 8 HG2 PRO 8 -11.147 -8.261 7.174
48 HG3 PRO 8 HG1 PRO 8 -10.729 -9.300 8.547
49 HD2 PRO 8 HD2 PRO 8 -10.322 -6.602 8.529
50 HD3 PRO 8 HD1 PRO 8 -9.326 -7.732 9.465
51 H CYS 9 HN CYS 9 -7.299 -6.340 5.142
52 HA CYS 9 HA CYS 9 -7.579 -5.402 3.085
53 HB2 CYS 9 HB2 CYS 9 -8.008 -7.952 2.525
54 HB3 CYS 9 HB1 CYS 9 -9.660 -7.395 2.291
55 H SER 10 HN SER 10 -8.596 -3.525 3.016
56 HA SER 10 HA SER 10 -11.448 -3.429 3.740
57 HB2 SER 10 HB2 SER 10 -9.501 -2.074 4.971
58 HB3 SER 10 HB1 SER 10 -9.811 -0.940 3.656
59 HG SER 10 HG SER 10 -11.092 -0.634 5.612
60 H ARG 11 HN ARG 11 -11.968 -0.850 2.734
61 HA ARG 11 HA ARG 11 -12.128 -1.467 -0.115
62 HB2 ARG 11 HB2 ARG 11 -14.150 -0.796 1.267
63 HB3 ARG 11 HB1 ARG 11 -13.458 0.820 1.334
64 HG2 ARG 11 HG2 ARG 11 -13.408 0.165 -1.361
65 HG3 ARG 11 HG1 ARG 11 -14.948 -0.470 -0.780
66 HD2 ARG 11 HD2 ARG 11 -15.660 1.633 -1.166
67 HD3 ARG 11 HD1 ARG 11 -14.945 1.945 0.416
68 HE ARG 11 HE ARG 11 -13.105 2.260 -1.772
69 HH11 ARG 11 HH11 ARG 11 -15.539 3.835 0.172
70 HH12 ARG 11 HH12 ARG 11 -14.939 5.429 -0.145
71 HH21 ARG 11 HH21 ARG 11 -12.315 4.354 -2.189
72 HH22 ARG 11 HH22 ARG 11 -13.110 5.724 -1.488
73 H GLY 12 HN GLY 12 -9.644 -0.484 1.199
74 HA2 GLY 12 HA2 GLY 12 -9.005 1.530 -0.772
75 HA3 GLY 12 HA1 GLY 12 -8.968 2.113 0.886
76 H SER 13 HN SER 13 -8.125 -1.170 0.097
77 HA SER 13 HA SER 13 -5.411 -0.674 1.049
78 HB2 SER 13 HB2 SER 13 -6.706 -3.333 0.415
79 HB3 SER 13 HB1 SER 13 -5.253 -3.052 1.370
80 HG SER 13 HG SER 13 -6.668 -1.843 2.825
81 H SER 14 HN SER 14 -4.070 -2.777 -0.173
82 HA SER 14 HA SER 14 -4.268 -2.287 -3.028
83 HB2 SER 14 HB2 SER 14 -2.279 -1.115 -1.388
84 HB3 SER 14 HB1 SER 14 -1.486 -2.374 -2.334
85 HG SER 14 HG SER 14 -1.654 -1.140 -4.014
86 H TRP 15 HN TRP 15 -3.421 -3.924 -4.343
87 HA TRP 15 HA TRP 15 -3.448 -6.530 -3.143
88 HB2 TRP 15 HB2 TRP 15 -4.453 -6.564 -5.229
89 HB3 TRP 15 HB1 TRP 15 -3.294 -5.439 -5.924
90 HD1 TRP 15 HD1 TRP 15 -1.166 -6.444 -7.093
91 HE1 TRP 15 HE1 TRP 15 -0.462 -8.836 -7.726
92 HE3 TRP 15 HE3 TRP 15 -4.613 -9.058 -4.366
93 HZ2 TRP 15 HZ2 TRP 15 -1.263 -11.475 -7.143
94 HZ3 TRP 15 HZ3 TRP 15 -4.578 -11.513 -4.464
95 HH2 TRP 15 HH2 TRP 15 -2.936 -12.697 -5.825
96 H SER 16 HN SER 16 -1.716 -8.151 -3.660
97 HA SER 16 HA SER 16 0.942 -7.018 -3.903
98 HB2 SER 16 HB2 SER 16 1.383 -8.833 -1.905
99 HB3 SER 16 HB1 SER 16 1.209 -7.096 -1.659
100 HG SER 16 HG SER 16 -1.020 -7.458 -1.284
101 H ALA 17 HN ALA 17 2.434 -8.370 -4.826
102 HA ALA 17 HA ALA 17 1.358 -10.861 -5.923
103 HB1 ALA 17 HB1 ALA 17 2.227 -9.385 -7.582
104 HB2 ALA 17 HB2 ALA 17 3.346 -10.740 -7.437
105 HB3 ALA 17 HB3 ALA 17 3.740 -9.188 -6.697
106 H ASP 18 HN ASP 18 3.624 -9.710 -3.603
107 HA ASP 18 HA ASP 18 5.529 -11.718 -3.536
108 HB2 ASP 18 HB2 ASP 18 5.655 -11.179 -1.049
109 HB3 ASP 18 HB1 ASP 18 5.876 -9.827 -2.153
110 H LEU 19 HN LEU 19 2.253 -11.699 -2.269
111 HA LEU 19 HA LEU 19 2.480 -14.583 -1.822
112 HB2 LEU 19 HB2 LEU 19 2.742 -13.326 0.341
113 HB3 LEU 19 HB1 LEU 19 1.113 -12.722 0.121
114 HG LEU 19 HG LEU 19 1.698 -14.864 1.619
115 HD11 LEU 19 HD11 LEU 19 -0.784 -15.547 0.603
116 HD12 LEU 19 HD12 LEU 19 -0.658 -13.812 0.311
117 HD13 LEU 19 HD13 LEU 19 -0.456 -14.449 1.943
118 HD21 LEU 19 HD21 LEU 19 1.114 -15.986 -1.120
119 HD22 LEU 19 HD22 LEU 19 1.051 -16.906 0.385
120 HD23 LEU 19 HD23 LEU 19 2.580 -16.221 -0.167
121 H ASP 20 HN ASP 20 1.190 -12.605 -3.761
122 HA ASP 20 HA ASP 20 -0.783 -12.301 -4.877
123 HB2 ASP 20 HB2 ASP 20 -0.837 -15.249 -4.233
124 HB3 ASP 20 HB1 ASP 20 -1.992 -14.485 -5.320
125 H LYS 21 HN LYS 21 -1.490 -10.976 -2.976
126 HA LYS 21 HA LYS 21 -4.161 -11.668 -2.308
127 HB2 LYS 21 HB2 LYS 21 -3.999 -11.868 0.060
128 HB3 LYS 21 HB1 LYS 21 -2.836 -12.992 -0.625
129 HG2 LYS 21 HG2 LYS 21 -1.414 -12.100 0.847
130 HG3 LYS 21 HG1 LYS 21 -1.306 -10.765 -0.300
131 HD2 LYS 21 HD2 LYS 21 -2.386 -9.356 1.071
132 HD3 LYS 21 HD1 LYS 21 -3.589 -10.568 1.515
133 HE2 LYS 21 HE2 LYS 21 -0.779 -10.591 2.589
134 HE3 LYS 21 HE1 LYS 21 -2.090 -9.717 3.378
135 HZ1 LYS 21 HZ1 LYS 21 -3.275 -11.746 3.700
136 HZ2 LYS 21 HZ2 LYS 21 -1.700 -11.978 4.270
137 HZ3 LYS 21 HZ3 LYS 21 -2.161 -12.623 2.776
138 H CYS 22 HN CYS 22 -4.997 -9.967 -0.591
139 HA CYS 22 HA CYS 22 -3.848 -7.371 -1.381
140 HB2 CYS 22 HB2 CYS 22 -6.064 -6.415 -1.199
141 HB3 CYS 22 HB1 CYS 22 -6.133 -7.820 -2.258
142 H MET 23 HN MET 23 -3.650 -5.747 0.176
143 HA MET 23 HA MET 23 -4.505 -6.103 2.865
144 HB2 MET 23 HB2 MET 23 -2.617 -7.670 2.862
145 HB3 MET 23 HB1 MET 23 -1.552 -6.392 2.294
146 HG2 MET 23 HG2 MET 23 -1.065 -6.162 4.463
147 HG3 MET 23 HG1 MET 23 -2.566 -5.239 4.514
148 HE1 MET 23 HE1 MET 23 -2.726 -6.774 7.819
149 HE2 MET 23 HE2 MET 23 -1.550 -5.875 6.861
150 HE3 MET 23 HE3 MET 23 -1.235 -7.555 7.294
151 H ASP 24 HN ASP 24 -4.606 -4.190 3.899
152 HA ASP 24 HA ASP 24 -4.264 -1.795 2.517
153 HB2 ASP 24 HB2 ASP 24 -5.579 -2.403 4.733
154 HB3 ASP 24 HB1 ASP 24 -4.116 -1.791 5.500
155 H CYS 25 HN CYS 25 -2.784 -0.072 2.788
156 HA CYS 25 HA CYS 25 -0.064 -0.988 3.201
157 HB2 CYS 25 HB2 CYS 25 0.509 1.353 2.418
158 HB3 CYS 25 HB1 CYS 25 -0.350 0.342 1.263
159 H ALA 26 HN ALA 26 -2.370 1.186 4.705
160 HA ALA 26 HA ALA 26 -0.804 2.665 6.396
161 HB1 ALA 26 HB1 ALA 26 -3.567 1.627 6.523
162 HB2 ALA 26 HB2 ALA 26 -2.966 3.281 6.642
163 HB3 ALA 26 HB3 ALA 26 -2.871 2.205 8.036
164 H SER 27 HN SER 27 -1.490 -0.740 6.567
165 HA SER 27 HA SER 27 -0.878 -1.239 9.249
166 HB2 SER 27 HB2 SER 27 -0.865 -2.875 6.749
167 HB3 SER 27 HB1 SER 27 -0.100 -3.542 8.191
168 HG SER 27 HG SER 27 -2.468 -3.918 7.803
169 H CYS 28 HN CYS 28 1.225 -0.994 6.414
170 HA CYS 28 HA CYS 28 3.567 -1.592 7.983
171 HB2 CYS 28 HB2 CYS 28 4.803 -1.450 5.916
172 HB3 CYS 28 HB1 CYS 28 3.343 -2.392 5.640
173 H ARG 29 HN ARG 29 2.516 0.504 9.185
174 HA ARG 29 HA ARG 29 3.765 2.929 8.131
175 HB2 ARG 29 HB2 ARG 29 1.388 2.947 8.946
176 HB3 ARG 29 HB1 ARG 29 2.000 2.639 10.566
177 HG2 ARG 29 HG2 ARG 29 2.672 4.759 10.859
178 HG3 ARG 29 HG1 ARG 29 3.225 4.926 9.191
179 HD2 ARG 29 HD2 ARG 29 0.893 5.163 8.459
180 HD3 ARG 29 HD1 ARG 29 0.360 5.028 10.133
181 HE ARG 29 HE ARG 29 1.506 7.335 8.855
182 HH11 ARG 29 HH11 ARG 29 0.938 5.735 11.905
183 HH12 ARG 29 HH12 ARG 29 1.034 7.194 12.831
184 HH21 ARG 29 HH21 ARG 29 1.636 9.255 10.073
185 HH22 ARG 29 HH22 ARG 29 1.432 9.193 11.792
186 H ALA 30 HN ALA 30 5.460 0.853 9.100
187 HA ALA 30 HA ALA 30 7.129 2.357 10.830
188 HB1 ALA 30 HB1 ALA 30 7.075 0.979 12.809
189 HB2 ALA 30 HB2 ALA 30 5.869 -0.081 12.080
190 HB3 ALA 30 HB3 ALA 30 5.452 1.586 12.478
191 H ARG 31 HN ARG 31 6.287 -0.864 9.636
192 HA ARG 31 HA ARG 31 9.141 -1.311 9.066
193 HB2 ARG 31 HB2 ARG 31 7.277 -2.946 10.600
194 HB3 ARG 31 HB1 ARG 31 8.027 -3.845 9.288
195 HG2 ARG 31 HG2 ARG 31 9.461 -4.200 11.068
196 HG3 ARG 31 HG1 ARG 31 10.242 -2.890 10.180
197 HD2 ARG 31 HD2 ARG 31 8.789 -1.399 11.804
198 HD3 ARG 31 HD1 ARG 31 8.848 -2.847 12.809
199 HE ARG 31 HE ARG 31 10.997 -1.023 12.270
200 HH11 ARG 31 HH11 ARG 31 10.200 -4.305 13.151
201 HH12 ARG 31 HH12 ARG 31 11.720 -4.598 13.927
202 HH21 ARG 31 HH21 ARG 31 12.997 -1.407 13.290
203 HH22 ARG 31 HH22 ARG 31 13.307 -2.953 14.007
204 HA PRO 32 HA PRO 32 6.836 -1.476 5.079
205 HB2 PRO 32 HB2 PRO 32 8.951 -0.618 3.586
206 HB3 PRO 32 HB1 PRO 32 7.820 0.477 4.390
207 HG2 PRO 32 HG2 PRO 32 10.538 -0.418 5.269
208 HG3 PRO 32 HG1 PRO 32 9.817 1.201 5.332
209 HD2 PRO 32 HD2 PRO 32 9.956 -0.395 7.502
210 HD3 PRO 32 HD1 PRO 32 8.604 0.724 7.238
211 H HIS 33 HN HIS 33 6.637 -3.578 4.569
212 HA HIS 33 HA HIS 33 8.804 -4.889 3.210
213 HB2 HIS 33 HB2 HIS 33 7.894 -5.797 5.924
214 HB3 HIS 33 HB1 HIS 33 8.483 -6.969 4.749
215 HD1 HIS 33 HD1 HIS 33 10.811 -5.252 3.579
216 HD2 HIS 33 HD2 HIS 33 10.037 -5.787 7.627
217 HE1 HIS 33 HE1 HIS 33 12.997 -4.821 4.745
218 HE2 HIS 33 HE2 HIS 33 12.483 -5.065 7.199
219 H SER 34 HN SER 34 6.702 -4.233 1.908
220 HA SER 34 HA SER 34 5.459 -6.683 1.181
221 HB2 SER 34 HB2 SER 34 3.118 -5.297 1.546
222 HB3 SER 34 HB1 SER 34 3.721 -6.562 2.618
223 HG SER 34 HG SER 34 4.090 -3.762 2.886
224 H ASP 35 HN ASP 35 4.621 -6.615 -0.865
225 HA ASP 35 HA ASP 35 5.405 -4.456 -2.515
226 HB2 ASP 35 HB2 ASP 35 5.314 -6.797 -3.298
227 HB3 ASP 35 HB1 ASP 35 3.559 -6.763 -3.159
228 H PHE 36 HN PHE 36 2.305 -5.486 -1.179
229 HA PHE 36 HA PHE 36 0.645 -3.789 -2.648
230 HB2 PHE 36 HB2 PHE 36 -0.996 -4.093 -0.851
231 HB3 PHE 36 HB1 PHE 36 -0.229 -5.617 -1.283
232 HD1 PHE 36 HD1 PHE 36 -0.105 -2.859 1.199
233 HD2 PHE 36 HD2 PHE 36 0.767 -6.936 0.348
234 HE1 PHE 36 HE1 PHE 36 0.476 -3.224 3.561
235 HE2 PHE 36 HE2 PHE 36 1.351 -7.308 2.710
236 HZ PHE 36 HZ PHE 36 1.204 -5.450 4.320
237 H CYS 37 HN CYS 37 2.864 -3.062 -0.117
238 HA CYS 37 HA CYS 37 1.614 -0.565 0.614
239 HB2 CYS 37 HB2 CYS 37 4.152 -1.970 1.370
240 HB3 CYS 37 HB1 CYS 37 3.975 -0.256 1.727
241 H LEU 38 HN LEU 38 4.277 -1.635 -1.425
242 HA LEU 38 HA LEU 38 5.284 0.935 -2.040
243 HB2 LEU 38 HB2 LEU 38 6.020 -1.673 -2.583
244 HB3 LEU 38 HB1 LEU 38 5.580 -1.050 -4.162
245 HG LEU 38 HG LEU 38 7.502 0.411 -2.369
246 HD11 LEU 38 HD11 LEU 38 9.328 -0.718 -3.295
247 HD12 LEU 38 HD12 LEU 38 8.343 -1.468 -4.551
248 HD13 LEU 38 HD13 LEU 38 8.187 -1.997 -2.876
249 HD21 LEU 38 HD21 LEU 38 7.729 0.489 -5.296
250 HD22 LEU 38 HD22 LEU 38 7.836 1.790 -4.111
251 HD23 LEU 38 HD23 LEU 38 6.259 1.206 -4.639
252 H GLY 39 HN GLY 39 2.617 -0.937 -3.254
253 HA2 GLY 39 HA2 GLY 39 2.277 0.740 -5.603
254 HA3 GLY 39 HA1 GLY 39 1.260 -0.611 -5.127
255 H CYS 40 HN CYS 40 1.025 0.513 -2.369
256 HA CYS 40 HA CYS 40 -1.394 1.890 -2.703
257 HB2 CYS 40 HB2 CYS 40 -0.406 0.626 -0.642
258 HB3 CYS 40 HB1 CYS 40 0.264 2.198 -0.223
259 H ALA 41 HN ALA 41 1.895 3.003 -2.536
260 HA ALA 41 HA ALA 41 1.497 5.677 -1.834
261 HB1 ALA 41 HB1 ALA 41 3.660 4.125 -2.474
262 HB2 ALA 41 HB2 ALA 41 3.702 5.862 -2.166
263 HB3 ALA 41 HB3 ALA 41 3.597 5.262 -3.821
264 H ALA 42 HN ALA 42 0.317 7.177 -2.803
265 HA ALA 42 HA ALA 42 0.070 7.097 -5.741
266 HB1 ALA 42 HB1 ALA 42 -1.962 7.555 -3.620
267 HB2 ALA 42 HB2 ALA 42 -2.091 6.671 -5.141
268 HB3 ALA 42 HB3 ALA 42 -2.127 8.434 -5.140
269 H ALA 43 HN ALA 43 0.184 9.181 -2.880
270 HA ALA 43 HA ALA 43 0.868 11.331 -2.576
271 HB1 ALA 43 HB1 ALA 43 2.323 11.239 -5.188
272 HB2 ALA 43 HB2 ALA 43 2.864 10.251 -3.832
273 HB3 ALA 43 HB3 ALA 43 2.793 12.006 -3.670
274 HA PRO 44 HA PRO 44 -2.497 12.636 -5.619
275 HB2 PRO 44 HB2 PRO 44 -3.508 13.823 -3.095
276 HB3 PRO 44 HB1 PRO 44 -4.375 12.930 -4.347
277 HG2 PRO 44 HG2 PRO 44 -3.815 11.805 -1.989
278 HG3 PRO 44 HG1 PRO 44 -3.760 10.870 -3.495
279 HD2 PRO 44 HD2 PRO 44 -1.514 11.981 -1.867
280 HD3 PRO 44 HD1 PRO 44 -1.617 10.443 -2.748
281 HA PRO 45 HA PRO 45 -1.474 17.116 -3.720
282 HB2 PRO 45 HB2 PRO 45 1.120 16.272 -2.508
283 HB3 PRO 45 HB1 PRO 45 -0.024 17.508 -1.972
284 HG2 PRO 45 HG2 PRO 45 0.113 15.162 -0.727
285 HG3 PRO 45 HG1 PRO 45 -1.450 15.956 -1.000
286 HD2 PRO 45 HD2 PRO 45 -0.235 13.622 -2.405
287 HD3 PRO 45 HD1 PRO 45 -1.935 13.947 -2.015
288 H ALA 46 HN ALA 46 0.246 18.612 -4.497
289 HA ALA 46 HA ALA 46 1.960 17.387 -6.550
290 HB1 ALA 46 HB1 ALA 46 1.292 18.876 -8.206
291 HB2 ALA 46 HB2 ALA 46 0.573 19.994 -7.047
292 HB3 ALA 46 HB3 ALA 46 -0.222 18.460 -7.401
293 HA PRO 47 HA PRO 47 4.753 19.981 -4.068
294 HB2 PRO 47 HB2 PRO 47 7.041 18.888 -5.061
295 HB3 PRO 47 HB1 PRO 47 6.102 18.152 -3.758
296 HG2 PRO 47 HG2 PRO 47 6.122 17.501 -6.679
297 HG3 PRO 47 HG1 PRO 47 6.111 16.402 -5.287
298 HD2 PRO 47 HD2 PRO 47 3.879 16.964 -6.698
299 HD3 PRO 47 HD1 PRO 47 3.840 16.648 -4.952
300 H PHE 48 HN PHE 48 6.642 21.379 -4.681
301 HA PHE 48 HA PHE 48 6.229 22.468 -7.386
302 HB2 PHE 48 HB2 PHE 48 6.684 23.728 -4.737
303 HB3 PHE 48 HB1 PHE 48 7.464 24.494 -6.118
304 HD1 PHE 48 HD2 PHE 48 5.872 24.830 -8.207
305 HD2 PHE 48 HD1 PHE 48 4.566 24.402 -4.180
306 HE1 PHE 48 HE2 PHE 48 3.760 25.957 -8.776
307 HE2 PHE 48 HE1 PHE 48 2.451 25.527 -4.741
308 HZ PHE 48 HZ PHE 48 2.047 26.308 -7.042
309 H ARG 49 HN ARG 49 7.760 20.914 -8.224
310 HA ARG 49 HA ARG 49 9.807 20.306 -9.004
311 HB2 ARG 49 HB2 ARG 49 10.837 22.941 -7.967
312 HB3 ARG 49 HB1 ARG 49 11.443 22.000 -9.323
313 HG2 ARG 49 HG2 ARG 49 9.410 22.477 -10.578
314 HG3 ARG 49 HG1 ARG 49 8.778 23.399 -9.214
315 HD2 ARG 49 HD2 ARG 49 11.336 24.044 -10.676
316 HD3 ARG 49 HD1 ARG 49 9.779 24.805 -11.005
317 HE ARG 49 HE ARG 49 10.127 25.205 -8.348
318 HH11 ARG 49 HH11 ARG 49 12.103 25.850 -11.151
319 HH12 ARG 49 HH12 ARG 49 12.875 27.229 -10.444
320 HH21 ARG 49 HH21 ARG 49 11.141 27.019 -7.417
321 HH22 ARG 49 HH22 ARG 49 12.330 27.892 -8.324
322 H LEU 50 HN LEU 50 10.222 18.618 -7.611
323 HA LEU 50 HA LEU 50 11.711 19.231 -5.156
324 HB2 LEU 50 HB2 LEU 50 9.696 17.825 -4.941
325 HB3 LEU 50 HB1 LEU 50 10.411 16.650 -6.027
326 HG LEU 50 HG LEU 50 12.150 17.238 -3.769
327 HD11 LEU 50 HD11 LEU 50 9.811 15.667 -2.895
328 HD12 LEU 50 HD12 LEU 50 9.591 17.415 -2.987
329 HD13 LEU 50 HD13 LEU 50 10.870 16.739 -1.979
330 HD21 LEU 50 HD21 LEU 50 10.944 14.573 -4.240
331 HD22 LEU 50 HD22 LEU 50 12.618 15.020 -3.916
332 HD23 LEU 50 HD23 LEU 50 11.941 15.252 -5.527
333 H LEU 51 HN LEU 51 12.762 19.200 -7.980
334 HA LEU 51 HA LEU 51 15.281 18.106 -7.464
335 HB2 LEU 51 HB2 LEU 51 13.381 16.164 -8.246
336 HB3 LEU 51 HB1 LEU 51 14.438 16.412 -9.623
337 HG LEU 51 HG LEU 51 15.911 16.130 -7.119
338 HD11 LEU 51 HD11 LEU 51 14.343 13.748 -8.088
339 HD12 LEU 51 HD12 LEU 51 13.961 14.672 -6.636
340 HD13 LEU 51 HD13 LEU 51 15.489 13.798 -6.749
341 HD21 LEU 51 HD21 LEU 51 16.476 15.907 -9.740
342 HD22 LEU 51 HD22 LEU 51 16.211 14.210 -9.336
343 HD23 LEU 51 HD23 LEU 51 17.428 15.144 -8.466
344 H TRP 52 HN TRP 52 16.662 18.039 -9.476
345 HA TRP 52 HA TRP 52 17.507 19.097 -11.303
346 HB2 TRP 52 HB2 TRP 52 14.584 19.199 -12.071
347 HB3 TRP 52 HB1 TRP 52 15.908 19.622 -13.152
348 HD1 TRP 52 HD1 TRP 52 13.685 16.918 -12.779
349 HE1 TRP 52 HE1 TRP 52 14.713 14.657 -13.458
350 HE3 TRP 52 HE3 TRP 52 18.631 18.211 -12.694
351 HZ2 TRP 52 HZ2 TRP 52 17.279 13.567 -13.898
352 HZ3 TRP 52 HZ3 TRP 52 20.308 16.501 -13.255
353 HH2 TRP 52 HH2 TRP 52 19.644 14.227 -13.845
354 HA PRO 53 HA PRO 53 16.782 23.244 -9.460
355 HB2 PRO 53 HB2 PRO 53 19.383 24.015 -9.610
356 HB3 PRO 53 HB1 PRO 53 18.739 23.056 -8.273
357 HG2 PRO 53 HG2 PRO 53 20.269 22.158 -10.685
358 HG3 PRO 53 HG1 PRO 53 20.450 21.654 -8.995
359 HD2 PRO 53 HD2 PRO 53 19.120 20.162 -10.816
360 HD3 PRO 53 HD1 PRO 53 18.658 20.204 -9.102
Start of MODEL 19
1 H1 GLU 1 HT1 GLU 1 -4.089 -0.195 -15.044
2 H2 GLU 1 HT2 GLU 1 -3.688 1.353 -14.417
3 H3 GLU 1 HT3 GLU 1 -5.068 1.160 -15.420
4 HA GLU 1 HA GLU 1 -4.768 -0.252 -12.870
5 HB2 GLU 1 HB2 GLU 1 -6.157 1.582 -11.911
6 HB3 GLU 1 HB1 GLU 1 -4.542 2.099 -12.374
7 HG2 GLU 1 HG2 GLU 1 -5.608 2.866 -14.562
8 HG3 GLU 1 HG1 GLU 1 -7.149 2.674 -13.729
9 H GLN 2 HN GLN 2 -6.958 -0.739 -12.006
10 HA GLN 2 HA GLN 2 -8.910 -1.146 -14.176
11 HB2 GLN 2 HB2 GLN 2 -8.555 -3.037 -11.858
12 HB3 GLN 2 HB1 GLN 2 -9.447 -3.303 -13.350
13 HG2 GLN 2 HG2 GLN 2 -7.665 -4.218 -14.275
14 HG3 GLN 2 HG1 GLN 2 -6.748 -2.735 -14.021
15 HE21 GLN 2 HE21 GLN 2 -5.166 -2.717 -12.548
16 HE22 GLN 2 HE22 GLN 2 -4.789 -4.023 -11.484
17 H ALA 3 HN ALA 3 -9.877 0.857 -13.451
18 HA ALA 3 HA ALA 3 -11.044 0.906 -10.796
19 HB1 ALA 3 HB1 ALA 3 -11.907 2.994 -12.642
20 HB2 ALA 3 HB2 ALA 3 -10.154 2.873 -12.486
21 HB3 ALA 3 HB3 ALA 3 -11.152 3.123 -11.053
22 HA PRO 4 HA PRO 4 -15.060 0.892 -13.626
23 HB2 PRO 4 HB2 PRO 4 -13.955 -0.551 -15.971
24 HB3 PRO 4 HB1 PRO 4 -15.105 0.788 -15.914
25 HG2 PRO 4 HG2 PRO 4 -12.584 1.179 -16.694
26 HG3 PRO 4 HG1 PRO 4 -13.437 2.385 -15.711
27 HD2 PRO 4 HD2 PRO 4 -11.372 0.382 -14.888
28 HD3 PRO 4 HD1 PRO 4 -11.587 2.064 -14.361
29 H GLY 5 HN GLY 5 -16.253 -0.641 -12.696
30 HA2 GLY 5 HA2 GLY 5 -17.014 -2.990 -12.990
31 HA3 GLY 5 HA1 GLY 5 -15.319 -3.441 -12.887
32 H THR 6 HN THR 6 -15.420 -4.726 -11.100
33 HA THR 6 HA THR 6 -16.474 -3.529 -8.634
34 HB THR 6 HB THR 6 -17.503 -5.651 -9.178
35 HG1 THR 6 HG1 THR 6 -17.262 -5.490 -7.021
36 HG21 THR 6 HG21 THR 6 -14.746 -6.852 -9.121
37 HG22 THR 6 HG22 THR 6 -15.739 -6.624 -10.561
38 HG23 THR 6 HG23 THR 6 -16.268 -7.726 -9.290
39 H ALA 7 HN ALA 7 -13.614 -4.658 -10.182
40 HA ALA 7 HA ALA 7 -11.418 -4.604 -9.600
41 HB1 ALA 7 HB1 ALA 7 -12.195 -2.959 -7.207
42 HB2 ALA 7 HB2 ALA 7 -12.120 -2.293 -8.838
43 HB3 ALA 7 HB3 ALA 7 -10.668 -2.955 -8.089
44 HA PRO 8 HA PRO 8 -11.318 -8.020 -6.723
45 HB2 PRO 8 HB2 PRO 8 -8.721 -8.687 -7.028
46 HB3 PRO 8 HB1 PRO 8 -9.936 -9.037 -8.263
47 HG2 PRO 8 HG2 PRO 8 -7.954 -6.795 -8.137
48 HG3 PRO 8 HG1 PRO 8 -8.414 -7.805 -9.520
49 HD2 PRO 8 HD2 PRO 8 -9.401 -5.303 -9.118
50 HD3 PRO 8 HD1 PRO 8 -10.314 -6.582 -9.942
51 H CYS 9 HN CYS 9 -11.518 -5.869 -5.252
52 HA CYS 9 HA CYS 9 -9.883 -6.328 -3.018
53 HB2 CYS 9 HB2 CYS 9 -8.504 -4.867 -4.867
54 HB3 CYS 9 HB1 CYS 9 -9.233 -3.593 -3.895
55 H SER 10 HN SER 10 -11.352 -3.471 -4.578
56 HA SER 10 HA SER 10 -12.989 -2.045 -3.905
57 HB2 SER 10 HB2 SER 10 -13.827 -4.477 -2.315
58 HB3 SER 10 HB1 SER 10 -14.788 -3.003 -2.424
59 HG SER 10 HG SER 10 -14.839 -3.318 -4.701
60 H ARG 11 HN ARG 11 -14.038 -1.072 -1.816
61 HA ARG 11 HA ARG 11 -13.780 0.020 0.163
62 HB2 ARG 11 HB2 ARG 11 -13.221 -2.360 0.946
63 HB3 ARG 11 HB1 ARG 11 -11.537 -1.862 0.864
64 HG2 ARG 11 HG2 ARG 11 -13.367 -0.099 2.370
65 HG3 ARG 11 HG1 ARG 11 -13.009 -1.674 3.079
66 HD2 ARG 11 HD2 ARG 11 -10.595 -1.187 2.838
67 HD3 ARG 11 HD1 ARG 11 -11.006 0.418 2.233
68 HE ARG 11 HE ARG 11 -11.376 1.081 4.384
69 HH11 ARG 11 HH11 ARG 11 -11.457 -2.406 4.275
70 HH12 ARG 11 HH12 ARG 11 -11.568 -2.581 5.994
71 HH21 ARG 11 HH21 ARG 11 -11.521 0.852 6.646
72 HH22 ARG 11 HH22 ARG 11 -11.604 -0.733 7.340
73 H GLY 12 HN GLY 12 -10.453 -1.051 -0.581
74 HA2 GLY 12 HA2 GLY 12 -9.282 0.963 -1.813
75 HA3 GLY 12 HA1 GLY 12 -9.554 1.712 -0.247
76 H SER 13 HN SER 13 -8.593 -1.612 -1.053
77 HA SER 13 HA SER 13 -6.224 -1.229 0.646
78 HB2 SER 13 HB2 SER 13 -7.127 -3.953 -0.170
79 HB3 SER 13 HB1 SER 13 -6.391 -3.417 1.341
80 HG SER 13 HG SER 13 -8.305 -2.920 2.112
81 H SER 14 HN SER 14 -4.211 -2.124 -0.017
82 HA SER 14 HA SER 14 -3.827 -1.996 -2.874
83 HB2 SER 14 HB2 SER 14 -1.362 -2.194 -2.162
84 HB3 SER 14 HB1 SER 14 -2.228 -0.730 -1.702
85 HG SER 14 HG SER 14 -2.335 -1.422 0.361
86 H TRP 15 HN TRP 15 -2.975 -3.619 -4.148
87 HA TRP 15 HA TRP 15 -3.525 -6.300 -3.285
88 HB2 TRP 15 HB2 TRP 15 -4.058 -5.928 -5.534
89 HB3 TRP 15 HB1 TRP 15 -2.571 -5.042 -5.842
90 HD1 TRP 15 HD1 TRP 15 -0.621 -6.369 -6.889
91 HE1 TRP 15 HE1 TRP 15 -0.208 -8.842 -7.468
92 HE3 TRP 15 HE3 TRP 15 -4.688 -8.438 -4.583
93 HZ2 TRP 15 HZ2 TRP 15 -1.442 -11.335 -7.007
94 HZ3 TRP 15 HZ3 TRP 15 -5.000 -10.874 -4.702
95 HH2 TRP 15 HH2 TRP 15 -3.409 -12.292 -5.891
96 H SER 16 HN SER 16 -1.931 -8.068 -3.502
97 HA SER 16 HA SER 16 0.829 -7.248 -3.099
98 HB2 SER 16 HB2 SER 16 -0.130 -9.423 -1.325
99 HB3 SER 16 HB1 SER 16 1.071 -8.166 -1.021
100 HG SER 16 HG SER 16 -1.749 -7.839 -1.048
101 H ALA 17 HN ALA 17 2.002 -8.287 -4.555
102 HA ALA 17 HA ALA 17 1.048 -10.757 -5.732
103 HB1 ALA 17 HB1 ALA 17 2.364 -8.661 -6.792
104 HB2 ALA 17 HB2 ALA 17 2.380 -10.280 -7.490
105 HB3 ALA 17 HB3 ALA 17 3.717 -9.746 -6.472
106 H ASP 18 HN ASP 18 3.327 -9.756 -3.334
107 HA ASP 18 HA ASP 18 5.182 -11.817 -3.379
108 HB2 ASP 18 HB2 ASP 18 4.355 -9.767 -1.525
109 HB3 ASP 18 HB1 ASP 18 4.702 -11.260 -0.660
110 H LEU 19 HN LEU 19 1.882 -11.803 -2.251
111 HA LEU 19 HA LEU 19 2.026 -14.692 -1.898
112 HB2 LEU 19 HB2 LEU 19 0.746 -14.553 0.229
113 HB3 LEU 19 HB1 LEU 19 2.386 -13.941 0.341
114 HG LEU 19 HG LEU 19 0.461 -11.845 -0.294
115 HD11 LEU 19 HD11 LEU 19 -0.987 -11.947 1.423
116 HD12 LEU 19 HD12 LEU 19 0.192 -12.672 2.516
117 HD13 LEU 19 HD13 LEU 19 -0.653 -13.677 1.338
118 HD21 LEU 19 HD21 LEU 19 2.438 -10.976 0.405
119 HD22 LEU 19 HD22 LEU 19 2.773 -12.322 1.494
120 HD23 LEU 19 HD23 LEU 19 1.627 -11.069 1.969
121 H ASP 20 HN ASP 20 0.768 -12.594 -3.702
122 HA ASP 20 HA ASP 20 -1.245 -12.103 -4.687
123 HB2 ASP 20 HB2 ASP 20 -1.106 -15.075 -4.403
124 HB3 ASP 20 HB1 ASP 20 -2.568 -14.353 -5.067
125 H LYS 21 HN LYS 21 -2.031 -10.859 -2.864
126 HA LYS 21 HA LYS 21 -4.647 -11.555 -2.127
127 HB2 LYS 21 HB2 LYS 21 -2.519 -12.420 -0.292
128 HB3 LYS 21 HB1 LYS 21 -3.798 -11.489 0.476
129 HG2 LYS 21 HG2 LYS 21 -5.291 -13.189 -0.959
130 HG3 LYS 21 HG1 LYS 21 -3.862 -14.191 -0.700
131 HD2 LYS 21 HD2 LYS 21 -4.877 -14.719 1.239
132 HD3 LYS 21 HD1 LYS 21 -4.229 -13.170 1.784
133 HE2 LYS 21 HE2 LYS 21 -6.514 -13.173 2.383
134 HE3 LYS 21 HE1 LYS 21 -6.378 -12.127 0.969
135 HZ1 LYS 21 HZ1 LYS 21 -6.930 -14.331 -0.282
136 HZ2 LYS 21 HZ2 LYS 21 -8.168 -13.404 0.402
137 HZ3 LYS 21 HZ3 LYS 21 -7.603 -14.781 1.205
138 H CYS 22 HN CYS 22 -5.711 -9.722 -1.707
139 HA CYS 22 HA CYS 22 -4.469 -7.223 -1.804
140 HB2 CYS 22 HB2 CYS 22 -7.197 -8.215 -1.200
141 HB3 CYS 22 HB1 CYS 22 -6.815 -6.594 -0.632
142 H MET 23 HN MET 23 -4.535 -5.521 -0.123
143 HA MET 23 HA MET 23 -4.701 -6.220 2.622
144 HB2 MET 23 HB2 MET 23 -2.320 -6.970 1.477
145 HB3 MET 23 HB1 MET 23 -1.936 -5.379 2.121
146 HG2 MET 23 HG2 MET 23 -2.377 -6.026 4.313
147 HG3 MET 23 HG1 MET 23 -3.292 -7.446 3.808
148 HE1 MET 23 HE1 MET 23 -0.089 -8.757 5.754
149 HE2 MET 23 HE2 MET 23 -1.763 -8.233 5.932
150 HE3 MET 23 HE3 MET 23 -0.463 -7.042 5.925
151 H ASP 24 HN ASP 24 -4.986 -4.437 3.848
152 HA ASP 24 HA ASP 24 -5.459 -1.960 2.652
153 HB2 ASP 24 HB2 ASP 24 -5.511 -3.067 5.338
154 HB3 ASP 24 HB1 ASP 24 -4.951 -1.398 5.339
155 H CYS 25 HN CYS 25 -4.371 0.066 2.915
156 HA CYS 25 HA CYS 25 -1.663 0.011 2.252
157 HB2 CYS 25 HB2 CYS 25 -3.122 1.891 1.693
158 HB3 CYS 25 HB1 CYS 25 -3.280 2.295 3.399
159 H ALA 26 HN ALA 26 -3.176 -0.152 5.337
160 HA ALA 26 HA ALA 26 -1.161 0.955 6.948
161 HB1 ALA 26 HB1 ALA 26 -3.616 0.165 7.476
162 HB2 ALA 26 HB2 ALA 26 -2.379 0.188 8.733
163 HB3 ALA 26 HB3 ALA 26 -2.799 -1.329 7.936
164 H SER 27 HN SER 27 -0.953 -1.524 8.683
165 HA SER 27 HA SER 27 0.443 -3.290 9.021
166 HB2 SER 27 HB2 SER 27 -0.419 -3.698 6.451
167 HB3 SER 27 HB1 SER 27 1.331 -3.636 6.239
168 HG SER 27 HG SER 27 1.350 -5.180 8.083
169 H CYS 28 HN CYS 28 1.860 -1.535 6.254
170 HA CYS 28 HA CYS 28 4.448 -1.573 7.511
171 HB2 CYS 28 HB2 CYS 28 3.542 -0.360 4.897
172 HB3 CYS 28 HB1 CYS 28 5.213 -0.465 5.436
173 H ARG 29 HN ARG 29 2.948 -0.219 9.212
174 HA ARG 29 HA ARG 29 2.981 2.615 8.650
175 HB2 ARG 29 HB2 ARG 29 1.173 1.521 9.977
176 HB3 ARG 29 HB1 ARG 29 2.348 1.202 11.245
177 HG2 ARG 29 HG2 ARG 29 0.925 3.182 11.669
178 HG3 ARG 29 HG1 ARG 29 2.651 3.543 11.641
179 HD2 ARG 29 HD2 ARG 29 2.494 4.473 9.447
180 HD3 ARG 29 HD1 ARG 29 0.834 3.907 9.267
181 HE ARG 29 HE ARG 29 0.693 5.527 11.423
182 HH11 ARG 29 HH11 ARG 29 1.983 5.954 8.208
183 HH12 ARG 29 HH12 ARG 29 1.661 7.654 8.170
184 HH21 ARG 29 HH21 ARG 29 0.269 7.764 11.374
185 HH22 ARG 29 HH22 ARG 29 0.690 8.684 9.968
186 H ALA 30 HN ALA 30 5.382 0.541 9.403
187 HA ALA 30 HA ALA 30 7.043 2.659 10.453
188 HB1 ALA 30 HB1 ALA 30 7.255 0.212 12.087
189 HB2 ALA 30 HB2 ALA 30 5.819 1.202 12.350
190 HB3 ALA 30 HB3 ALA 30 7.423 1.906 12.547
191 H ARG 31 HN ARG 31 6.851 -0.838 9.808
192 HA ARG 31 HA ARG 31 9.587 -0.711 8.730
193 HB2 ARG 31 HB2 ARG 31 8.034 -2.826 10.129
194 HB3 ARG 31 HB1 ARG 31 9.168 -3.347 8.890
195 HG2 ARG 31 HG2 ARG 31 10.870 -3.107 10.283
196 HG3 ARG 31 HG1 ARG 31 10.435 -1.422 10.583
197 HD2 ARG 31 HD2 ARG 31 10.208 -2.229 12.699
198 HD3 ARG 31 HD1 ARG 31 8.584 -2.568 12.100
199 HE ARG 31 HE ARG 31 9.947 -4.829 11.509
200 HH11 ARG 31 HH11 ARG 31 9.547 -2.978 14.441
201 HH12 ARG 31 HH12 ARG 31 9.698 -4.355 15.480
202 HH21 ARG 31 HH21 ARG 31 10.146 -6.641 12.874
203 HH22 ARG 31 HH22 ARG 31 10.039 -6.435 14.590
204 HA PRO 32 HA PRO 32 6.985 -1.201 4.966
205 HB2 PRO 32 HB2 PRO 32 8.537 0.313 3.356
206 HB3 PRO 32 HB1 PRO 32 7.340 1.018 4.449
207 HG2 PRO 32 HG2 PRO 32 10.301 0.750 4.801
208 HG3 PRO 32 HG1 PRO 32 9.253 2.134 5.163
209 HD2 PRO 32 HD2 PRO 32 10.125 0.393 7.065
210 HD3 PRO 32 HD1 PRO 32 8.577 1.253 7.176
211 H HIS 33 HN HIS 33 7.351 -3.286 4.399
212 HA HIS 33 HA HIS 33 9.609 -3.832 2.685
213 HB2 HIS 33 HB2 HIS 33 10.226 -4.319 5.189
214 HB3 HIS 33 HB1 HIS 33 9.246 -5.762 4.949
215 HD1 HIS 33 HD1 HIS 33 11.674 -4.225 2.475
216 HD2 HIS 33 HD2 HIS 33 11.182 -7.669 4.746
217 HE1 HIS 33 HE1 HIS 33 13.513 -5.779 1.747
218 HE2 HIS 33 HE2 HIS 33 13.140 -7.890 3.071
219 H SER 34 HN SER 34 7.287 -3.744 1.634
220 HA SER 34 HA SER 34 6.619 -6.474 1.037
221 HB2 SER 34 HB2 SER 34 5.064 -5.088 2.920
222 HB3 SER 34 HB1 SER 34 4.127 -5.056 1.427
223 HG SER 34 HG SER 34 4.071 -7.238 1.401
224 H ASP 35 HN ASP 35 4.253 -5.934 -0.376
225 HA ASP 35 HA ASP 35 5.253 -4.203 -2.504
226 HB2 ASP 35 HB2 ASP 35 4.014 -6.885 -2.544
227 HB3 ASP 35 HB1 ASP 35 3.482 -5.776 -3.805
228 H PHE 36 HN PHE 36 2.373 -5.285 -0.782
229 HA PHE 36 HA PHE 36 0.506 -3.668 -2.122
230 HB2 PHE 36 HB2 PHE 36 -0.960 -4.079 -0.213
231 HB3 PHE 36 HB1 PHE 36 -0.129 -5.557 -0.678
232 HD1 PHE 36 HD1 PHE 36 -0.460 -2.966 1.874
233 HD2 PHE 36 HD2 PHE 36 1.547 -6.547 0.755
234 HE1 PHE 36 HE1 PHE 36 0.343 -3.232 4.184
235 HE2 PHE 36 HE2 PHE 36 2.353 -6.821 3.063
236 HZ PHE 36 HZ PHE 36 1.752 -5.162 4.781
237 H CYS 37 HN CYS 37 2.334 -3.100 0.874
238 HA CYS 37 HA CYS 37 1.266 -0.453 1.188
239 HB2 CYS 37 HB2 CYS 37 2.853 -0.270 3.060
240 HB3 CYS 37 HB1 CYS 37 1.912 -1.756 3.149
241 H LEU 38 HN LEU 38 4.039 -1.880 -0.339
242 HA LEU 38 HA LEU 38 5.677 0.414 -0.475
243 HB2 LEU 38 HB2 LEU 38 6.477 -1.881 -0.879
244 HB3 LEU 38 HB1 LEU 38 5.546 -1.937 -2.363
245 HG LEU 38 HG LEU 38 7.378 0.340 -2.246
246 HD11 LEU 38 HD11 LEU 38 8.365 -2.388 -1.689
247 HD12 LEU 38 HD12 LEU 38 9.050 -0.821 -1.261
248 HD13 LEU 38 HD13 LEU 38 9.251 -1.454 -2.895
249 HD21 LEU 38 HD21 LEU 38 7.568 -0.049 -4.486
250 HD22 LEU 38 HD22 LEU 38 6.017 -0.832 -4.187
251 HD23 LEU 38 HD23 LEU 38 7.486 -1.801 -4.302
252 H GLY 39 HN GLY 39 2.759 -0.349 -2.062
253 HA2 GLY 39 HA2 GLY 39 3.324 1.648 -4.160
254 HA3 GLY 39 HA1 GLY 39 2.151 0.352 -4.317
255 H CYS 40 HN CYS 40 1.159 0.786 -1.558
256 HA CYS 40 HA CYS 40 -0.941 2.550 -2.167
257 HB2 CYS 40 HB2 CYS 40 -1.793 2.065 -0.051
258 HB3 CYS 40 HB1 CYS 40 -0.827 0.641 -0.415
259 H ALA 41 HN ALA 41 2.123 3.026 -0.548
260 HA ALA 41 HA ALA 41 1.697 5.451 0.722
261 HB1 ALA 41 HB1 ALA 41 3.756 4.738 1.278
262 HB2 ALA 41 HB2 ALA 41 4.264 5.721 -0.095
263 HB3 ALA 41 HB3 ALA 41 4.034 3.983 -0.291
264 H ALA 42 HN ALA 42 3.576 5.299 -2.289
265 HA ALA 42 HA ALA 42 1.936 7.045 -3.773
266 HB1 ALA 42 HB1 ALA 42 2.927 9.130 -3.555
267 HB2 ALA 42 HB2 ALA 42 4.395 8.468 -2.834
268 HB3 ALA 42 HB3 ALA 42 2.905 8.538 -1.894
269 H ALA 43 HN ALA 43 2.477 6.890 -5.863
270 HA ALA 43 HA ALA 43 4.670 5.248 -6.638
271 HB1 ALA 43 HB1 ALA 43 2.695 6.866 -8.233
272 HB2 ALA 43 HB2 ALA 43 2.681 5.127 -7.934
273 HB3 ALA 43 HB3 ALA 43 3.926 5.834 -8.963
274 HA PRO 44 HA PRO 44 7.653 8.613 -6.724
275 HB2 PRO 44 HB2 PRO 44 9.717 7.138 -7.728
276 HB3 PRO 44 HB1 PRO 44 9.248 7.125 -6.025
277 HG2 PRO 44 HG2 PRO 44 8.576 5.172 -8.191
278 HG3 PRO 44 HG1 PRO 44 9.059 4.861 -6.513
279 HD2 PRO 44 HD2 PRO 44 6.487 4.731 -7.306
280 HD3 PRO 44 HD1 PRO 44 6.945 5.303 -5.689
281 HA PRO 45 HA PRO 45 6.779 9.438 -11.114
282 HB2 PRO 45 HB2 PRO 45 7.351 12.099 -10.976
283 HB3 PRO 45 HB1 PRO 45 5.791 11.415 -10.503
284 HG2 PRO 45 HG2 PRO 45 8.114 12.206 -8.788
285 HG3 PRO 45 HG1 PRO 45 6.381 12.482 -8.524
286 HD2 PRO 45 HD2 PRO 45 7.732 10.505 -7.276
287 HD3 PRO 45 HD1 PRO 45 6.030 10.334 -7.750
288 H ALA 46 HN ALA 46 8.163 11.199 -12.570
289 HA ALA 46 HA ALA 46 10.709 9.927 -12.869
290 HB1 ALA 46 HB1 ALA 46 10.752 10.854 -14.930
291 HB2 ALA 46 HB2 ALA 46 10.172 12.419 -14.359
292 HB3 ALA 46 HB3 ALA 46 9.035 11.096 -14.612
293 HA PRO 47 HA PRO 47 13.324 12.607 -10.547
294 HB2 PRO 47 HB2 PRO 47 15.536 12.736 -12.142
295 HB3 PRO 47 HB1 PRO 47 15.121 11.324 -11.166
296 HG2 PRO 47 HG2 PRO 47 14.649 11.818 -14.079
297 HG3 PRO 47 HG1 PRO 47 15.218 10.345 -13.271
298 HD2 PRO 47 HD2 PRO 47 12.663 10.641 -14.079
299 HD3 PRO 47 HD1 PRO 47 13.090 9.733 -12.614
300 H PHE 48 HN PHE 48 15.167 14.447 -11.331
301 HA PHE 48 HA PHE 48 15.463 16.591 -12.021
302 HB2 PHE 48 HB2 PHE 48 13.732 15.472 -14.158
303 HB3 PHE 48 HB1 PHE 48 13.832 17.226 -14.060
304 HD1 PHE 48 HD1 PHE 48 16.257 14.406 -13.714
305 HD2 PHE 48 HD2 PHE 48 15.302 18.117 -15.564
306 HE1 PHE 48 HE1 PHE 48 18.395 14.345 -14.931
307 HE2 PHE 48 HE2 PHE 48 17.438 18.062 -16.785
308 HZ PHE 48 HZ PHE 48 18.987 16.174 -16.470
309 H ARG 49 HN ARG 49 11.985 16.171 -12.675
310 HA ARG 49 HA ARG 49 10.136 17.137 -11.762
311 HB2 ARG 49 HB2 ARG 49 11.894 18.099 -9.506
312 HB3 ARG 49 HB1 ARG 49 10.150 17.876 -9.485
313 HG2 ARG 49 HG2 ARG 49 10.598 15.417 -9.886
314 HG3 ARG 49 HG1 ARG 49 12.290 15.772 -9.528
315 HD2 ARG 49 HD2 ARG 49 11.499 16.781 -7.359
316 HD3 ARG 49 HD1 ARG 49 9.907 16.112 -7.718
317 HE ARG 49 HE ARG 49 10.686 14.031 -7.156
318 HH11 ARG 49 HH11 ARG 49 13.397 16.193 -7.547
319 HH12 ARG 49 HH12 ARG 49 14.548 15.064 -6.914
320 HH21 ARG 49 HH21 ARG 49 12.198 12.546 -6.324
321 HH22 ARG 49 HH22 ARG 49 13.869 12.994 -6.221
322 H LEU 50 HN LEU 50 12.757 19.355 -10.790
323 HA LEU 50 HA LEU 50 11.483 21.427 -12.451
324 HB2 LEU 50 HB2 LEU 50 12.466 21.564 -9.628
325 HB3 LEU 50 HB1 LEU 50 12.501 23.003 -10.629
326 HG LEU 50 HG LEU 50 9.931 21.534 -10.536
327 HD11 LEU 50 HD11 LEU 50 9.298 22.183 -8.401
328 HD12 LEU 50 HD12 LEU 50 10.624 23.337 -8.250
329 HD13 LEU 50 HD13 LEU 50 10.947 21.606 -8.164
330 HD21 LEU 50 HD21 LEU 50 9.048 23.812 -10.526
331 HD22 LEU 50 HD22 LEU 50 10.201 23.578 -11.839
332 HD23 LEU 50 HD23 LEU 50 10.685 24.450 -10.385
333 H LEU 51 HN LEU 51 14.496 20.833 -10.628
334 HA LEU 51 HA LEU 51 16.166 20.859 -12.886
335 HB2 LEU 51 HB2 LEU 51 15.397 23.456 -11.896
336 HB3 LEU 51 HB1 LEU 51 17.127 23.227 -11.716
337 HG LEU 51 HG LEU 51 15.712 22.735 -14.327
338 HD11 LEU 51 HD11 LEU 51 16.937 25.077 -14.747
339 HD12 LEU 51 HD12 LEU 51 16.498 25.279 -13.051
340 HD13 LEU 51 HD13 LEU 51 15.249 24.945 -14.250
341 HD21 LEU 51 HD21 LEU 51 18.205 23.503 -14.940
342 HD22 LEU 51 HD22 LEU 51 17.756 21.822 -14.648
343 HD23 LEU 51 HD23 LEU 51 18.504 22.770 -13.363
344 H TRP 52 HN TRP 52 18.475 20.883 -12.308
345 HA TRP 52 HA TRP 52 18.870 20.052 -9.507
346 HB2 TRP 52 HB2 TRP 52 20.169 19.066 -12.047
347 HB3 TRP 52 HB1 TRP 52 20.808 18.706 -10.446
348 HD1 TRP 52 HD1 TRP 52 18.694 17.210 -12.974
349 HE1 TRP 52 HE1 TRP 52 17.181 15.377 -11.987
350 HE3 TRP 52 HE3 TRP 52 19.208 18.316 -8.009
351 HZ2 TRP 52 HZ2 TRP 52 16.319 14.515 -9.441
352 HZ3 TRP 52 HZ3 TRP 52 18.007 16.940 -6.363
353 HH2 TRP 52 HH2 TRP 52 16.591 15.078 -7.066
354 HA PRO 53 HA PRO 53 21.943 23.081 -8.665
355 HB2 PRO 53 HB2 PRO 53 23.908 20.870 -8.269
356 HB3 PRO 53 HB1 PRO 53 23.497 22.216 -7.199
357 HG2 PRO 53 HG2 PRO 53 22.597 19.763 -6.697
358 HG3 PRO 53 HG1 PRO 53 21.572 21.183 -6.421
359 HD2 PRO 53 HD2 PRO 53 21.476 19.173 -8.622
360 HD3 PRO 53 HD1 PRO 53 20.150 20.046 -7.829
Start of MODEL 20
1 H1 GLU 1 HT1 GLU 1 -12.733 -14.180 12.993
2 H2 GLU 1 HT2 GLU 1 -14.445 -14.238 12.898
3 H3 GLU 1 HT3 GLU 1 -13.541 -13.463 11.663
4 HA GLU 1 HA GLU 1 -12.449 -15.668 11.302
5 HB2 GLU 1 HB2 GLU 1 -14.795 -16.377 13.059
6 HB3 GLU 1 HB1 GLU 1 -14.056 -17.545 11.972
7 HG2 GLU 1 HG2 GLU 1 -11.910 -17.236 13.119
8 HG3 GLU 1 HG1 GLU 1 -12.680 -16.099 14.225
9 H GLN 2 HN GLN 2 -13.021 -14.434 9.373
10 HA GLN 2 HA GLN 2 -15.705 -14.933 8.320
11 HB2 GLN 2 HB2 GLN 2 -15.030 -13.361 6.517
12 HB3 GLN 2 HB1 GLN 2 -14.947 -12.652 8.123
13 HG2 GLN 2 HG2 GLN 2 -12.419 -13.798 7.535
14 HG3 GLN 2 HG1 GLN 2 -12.921 -12.823 6.154
15 HE21 GLN 2 HE21 GLN 2 -11.724 -11.043 6.343
16 HE22 GLN 2 HE22 GLN 2 -11.673 -10.018 7.733
17 H ALA 3 HN ALA 3 -15.952 -15.705 6.110
18 HA ALA 3 HA ALA 3 -14.123 -17.896 5.575
19 HB1 ALA 3 HB1 ALA 3 -16.853 -17.612 5.342
20 HB2 ALA 3 HB2 ALA 3 -15.887 -18.932 4.684
21 HB3 ALA 3 HB3 ALA 3 -16.295 -17.549 3.670
22 HA PRO 4 HA PRO 4 -14.098 -15.385 1.303
23 HB2 PRO 4 HB2 PRO 4 -14.478 -12.704 2.547
24 HB3 PRO 4 HB1 PRO 4 -15.029 -13.306 0.980
25 HG2 PRO 4 HG2 PRO 4 -16.734 -13.037 3.006
26 HG3 PRO 4 HG1 PRO 4 -16.847 -14.417 1.898
27 HD2 PRO 4 HD2 PRO 4 -15.791 -14.304 4.686
28 HD3 PRO 4 HD1 PRO 4 -16.683 -15.601 3.868
29 H GLY 5 HN GLY 5 -12.517 -13.441 0.677
30 HA2 GLY 5 HA2 GLY 5 -10.427 -13.043 2.664
31 HA3 GLY 5 HA1 GLY 5 -9.981 -14.013 1.269
32 H THR 6 HN THR 6 -11.302 -12.704 -0.762
33 HA THR 6 HA THR 6 -9.679 -10.301 -0.979
34 HB THR 6 HB THR 6 -11.476 -11.437 -3.112
35 HG1 THR 6 HG1 THR 6 -10.263 -13.145 -2.970
36 HG21 THR 6 HG21 THR 6 -9.144 -10.615 -4.279
37 HG22 THR 6 HG22 THR 6 -9.403 -9.401 -3.026
38 HG23 THR 6 HG23 THR 6 -10.654 -9.705 -4.233
39 H ALA 7 HN ALA 7 -12.794 -11.035 0.001
40 HA ALA 7 HA ALA 7 -14.248 -8.890 -1.156
41 HB1 ALA 7 HB1 ALA 7 -15.757 -10.359 -0.366
42 HB2 ALA 7 HB2 ALA 7 -15.621 -9.396 1.105
43 HB3 ALA 7 HB3 ALA 7 -14.708 -10.895 0.946
44 HA PRO 8 HA PRO 8 -13.556 -6.580 3.020
45 HB2 PRO 8 HB2 PRO 8 -11.745 -7.608 4.766
46 HB3 PRO 8 HB1 PRO 8 -13.459 -8.037 4.791
47 HG2 PRO 8 HG2 PRO 8 -11.149 -9.529 3.606
48 HG3 PRO 8 HG1 PRO 8 -12.513 -10.148 4.556
49 HD2 PRO 8 HD2 PRO 8 -12.417 -10.343 1.862
50 HD3 PRO 8 HD1 PRO 8 -13.943 -10.136 2.746
51 H CYS 9 HN CYS 9 -12.283 -6.103 0.718
52 HA CYS 9 HA CYS 9 -10.140 -4.463 1.428
53 HB2 CYS 9 HB2 CYS 9 -8.257 -5.650 0.340
54 HB3 CYS 9 HB1 CYS 9 -8.858 -6.497 1.761
55 H SER 10 HN SER 10 -11.901 -3.429 0.098
56 HA SER 10 HA SER 10 -10.944 -3.168 -2.622
57 HB2 SER 10 HB2 SER 10 -12.813 -5.016 -2.433
58 HB3 SER 10 HB1 SER 10 -13.892 -3.624 -2.354
59 HG SER 10 HG SER 10 -12.976 -4.698 -4.508
60 H ARG 11 HN ARG 11 -10.798 -1.382 -0.521
61 HA ARG 11 HA ARG 11 -12.562 0.755 -1.490
62 HB2 ARG 11 HB2 ARG 11 -12.366 -0.313 1.247
63 HB3 ARG 11 HB1 ARG 11 -12.260 1.438 1.138
64 HG2 ARG 11 HG2 ARG 11 -14.434 0.127 -0.381
65 HG3 ARG 11 HG1 ARG 11 -14.570 0.145 1.377
66 HD2 ARG 11 HD2 ARG 11 -15.046 2.327 1.418
67 HD3 ARG 11 HD1 ARG 11 -13.749 2.714 0.289
68 HE ARG 11 HE ARG 11 -15.757 1.542 -1.205
69 HH11 ARG 11 HH11 ARG 11 -15.390 4.376 0.799
70 HH12 ARG 11 HH12 ARG 11 -16.557 5.303 -0.082
71 HH21 ARG 11 HH21 ARG 11 -17.291 2.760 -2.365
72 HH22 ARG 11 HH22 ARG 11 -17.638 4.386 -1.877
73 H GLY 12 HN GLY 12 -9.805 0.147 0.697
74 HA2 GLY 12 HA2 GLY 12 -8.278 2.179 -0.754
75 HA3 GLY 12 HA1 GLY 12 -8.529 2.429 0.967
76 H SER 13 HN SER 13 -8.117 -0.757 -0.398
77 HA SER 13 HA SER 13 -5.673 -1.064 1.168
78 HB2 SER 13 HB2 SER 13 -6.013 -3.415 1.012
79 HB3 SER 13 HB1 SER 13 -7.608 -2.716 1.289
80 HG SER 13 HG SER 13 -8.211 -3.278 -0.670
81 H SER 14 HN SER 14 -4.467 -3.146 -0.233
82 HA SER 14 HA SER 14 -3.987 -2.306 -2.937
83 HB2 SER 14 HB2 SER 14 -1.931 -1.908 -0.774
84 HB3 SER 14 HB1 SER 14 -1.468 -2.105 -2.463
85 HG SER 14 HG SER 14 -2.919 -0.309 -2.898
86 H TRP 15 HN TRP 15 -3.614 -4.037 -4.144
87 HA TRP 15 HA TRP 15 -3.547 -6.631 -3.120
88 HB2 TRP 15 HB2 TRP 15 -4.287 -6.462 -5.330
89 HB3 TRP 15 HB1 TRP 15 -2.942 -5.433 -5.806
90 HD1 TRP 15 HD1 TRP 15 -0.886 -6.588 -6.881
91 HE1 TRP 15 HE1 TRP 15 -0.259 -9.026 -7.415
92 HE3 TRP 15 HE3 TRP 15 -4.618 -8.971 -4.323
93 HZ2 TRP 15 HZ2 TRP 15 -1.218 -11.612 -6.829
94 HZ3 TRP 15 HZ3 TRP 15 -4.692 -11.428 -4.364
95 HH2 TRP 15 HH2 TRP 15 -3.026 -12.722 -5.591
96 H SER 16 HN SER 16 -1.800 -8.249 -3.430
97 HA SER 16 HA SER 16 0.889 -7.171 -3.315
98 HB2 SER 16 HB2 SER 16 0.378 -9.255 -1.294
99 HB3 SER 16 HB1 SER 16 1.366 -7.798 -1.186
100 HG SER 16 HG SER 16 -1.457 -7.972 -0.962
101 H ALA 17 HN ALA 17 2.240 -8.334 -4.513
102 HA ALA 17 HA ALA 17 1.333 -10.895 -5.561
103 HB1 ALA 17 HB1 ALA 17 3.722 -9.213 -6.309
104 HB2 ALA 17 HB2 ALA 17 2.166 -9.238 -7.138
105 HB3 ALA 17 HB3 ALA 17 3.190 -10.674 -7.141
106 H ASP 18 HN ASP 18 3.563 -9.646 -3.248
107 HA ASP 18 HA ASP 18 5.555 -11.563 -3.191
108 HB2 ASP 18 HB2 ASP 18 4.835 -9.412 -1.614
109 HB3 ASP 18 HB1 ASP 18 4.668 -10.778 -0.516
110 H LEU 19 HN LEU 19 2.249 -11.773 -2.090
111 HA LEU 19 HA LEU 19 2.595 -14.632 -1.687
112 HB2 LEU 19 HB2 LEU 19 0.933 -13.920 0.439
113 HB3 LEU 19 HB1 LEU 19 2.570 -14.537 0.534
114 HG LEU 19 HG LEU 19 3.414 -12.197 0.482
115 HD11 LEU 19 HD11 LEU 19 1.365 -10.616 1.246
116 HD12 LEU 19 HD12 LEU 19 0.547 -11.670 0.094
117 HD13 LEU 19 HD13 LEU 19 1.954 -10.737 -0.411
118 HD21 LEU 19 HD21 LEU 19 3.434 -12.858 2.643
119 HD22 LEU 19 HD22 LEU 19 1.741 -13.354 2.622
120 HD23 LEU 19 HD23 LEU 19 2.158 -11.648 2.787
121 H ASP 20 HN ASP 20 1.173 -12.663 -3.497
122 HA ASP 20 HA ASP 20 -0.876 -12.328 -4.466
123 HB2 ASP 20 HB2 ASP 20 -0.223 -15.142 -4.365
124 HB3 ASP 20 HB1 ASP 20 -1.969 -14.914 -4.389
125 H LYS 21 HN LYS 21 -1.727 -11.068 -2.691
126 HA LYS 21 HA LYS 21 -4.286 -11.863 -1.907
127 HB2 LYS 21 HB2 LYS 21 -3.994 -12.139 0.518
128 HB3 LYS 21 HB1 LYS 21 -3.168 -13.400 -0.385
129 HG2 LYS 21 HG2 LYS 21 -1.129 -12.754 0.315
130 HG3 LYS 21 HG1 LYS 21 -1.542 -11.039 0.291
131 HD2 LYS 21 HD2 LYS 21 -2.919 -11.433 2.348
132 HD3 LYS 21 HD1 LYS 21 -2.254 -13.067 2.404
133 HE2 LYS 21 HE2 LYS 21 0.041 -11.900 2.329
134 HE3 LYS 21 HE1 LYS 21 -0.848 -10.445 2.777
135 HZ1 LYS 21 HZ1 LYS 21 0.091 -11.699 4.681
136 HZ2 LYS 21 HZ2 LYS 21 -0.949 -12.982 4.315
137 HZ3 LYS 21 HZ3 LYS 21 -1.585 -11.483 4.774
138 H CYS 22 HN CYS 22 -5.445 -10.108 -1.355
139 HA CYS 22 HA CYS 22 -4.301 -7.547 -1.549
140 HB2 CYS 22 HB2 CYS 22 -6.517 -6.714 -0.878
141 HB3 CYS 22 HB1 CYS 22 -6.644 -7.972 -2.101
142 H MET 23 HN MET 23 -4.358 -5.845 0.098
143 HA MET 23 HA MET 23 -4.475 -6.544 2.859
144 HB2 MET 23 HB2 MET 23 -2.034 -7.035 1.596
145 HB3 MET 23 HB1 MET 23 -1.799 -5.508 2.435
146 HG2 MET 23 HG2 MET 23 -3.114 -7.615 4.004
147 HG3 MET 23 HG1 MET 23 -1.441 -7.935 3.551
148 HE1 MET 23 HE1 MET 23 -0.498 -6.838 7.009
149 HE2 MET 23 HE2 MET 23 0.307 -7.403 5.545
150 HE3 MET 23 HE3 MET 23 -1.179 -8.182 6.091
151 H ASP 24 HN ASP 24 -5.154 -4.809 3.921
152 HA ASP 24 HA ASP 24 -5.527 -2.322 2.682
153 HB2 ASP 24 HB2 ASP 24 -5.757 -3.326 5.490
154 HB3 ASP 24 HB1 ASP 24 -5.833 -1.592 5.196
155 H CYS 25 HN CYS 25 -4.684 -0.224 3.491
156 HA CYS 25 HA CYS 25 -1.847 -0.189 3.331
157 HB2 CYS 25 HB2 CYS 25 -3.832 1.635 2.843
158 HB3 CYS 25 HB1 CYS 25 -3.140 2.254 4.337
159 H ALA 26 HN ALA 26 -4.138 -0.086 5.959
160 HA ALA 26 HA ALA 26 -2.312 0.844 7.945
161 HB1 ALA 26 HB1 ALA 26 -5.068 -0.225 7.907
162 HB2 ALA 26 HB2 ALA 26 -4.417 1.215 8.691
163 HB3 ALA 26 HB3 ALA 26 -4.176 -0.373 9.421
164 H SER 27 HN SER 27 -0.512 -0.585 7.420
165 HA SER 27 HA SER 27 -0.384 -2.790 9.206
166 HB2 SER 27 HB2 SER 27 0.022 -3.564 6.325
167 HB3 SER 27 HB1 SER 27 -0.185 -4.612 7.728
168 HG SER 27 HG SER 27 -2.362 -3.821 7.843
169 H CYS 28 HN CYS 28 1.046 -1.187 6.404
170 HA CYS 28 HA CYS 28 3.697 -1.679 7.520
171 HB2 CYS 28 HB2 CYS 28 4.585 -1.253 5.294
172 HB3 CYS 28 HB1 CYS 28 3.341 -2.496 5.219
173 H ARG 29 HN ARG 29 2.472 0.201 8.908
174 HA ARG 29 HA ARG 29 3.158 2.805 7.764
175 HB2 ARG 29 HB2 ARG 29 1.896 3.764 9.608
176 HB3 ARG 29 HB1 ARG 29 0.933 2.541 8.791
177 HG2 ARG 29 HG2 ARG 29 1.928 0.981 10.660
178 HG3 ARG 29 HG1 ARG 29 2.125 2.514 11.511
179 HD2 ARG 29 HD2 ARG 29 -0.399 2.793 10.614
180 HD3 ARG 29 HD1 ARG 29 -0.329 1.040 10.789
181 HE ARG 29 HE ARG 29 0.672 2.383 13.097
182 HH11 ARG 29 HH11 ARG 29 -2.263 1.408 11.479
183 HH12 ARG 29 HH12 ARG 29 -3.197 1.355 12.935
184 HH21 ARG 29 HH21 ARG 29 -0.555 2.313 15.014
185 HH22 ARG 29 HH22 ARG 29 -2.229 1.870 14.943
186 H ALA 30 HN ALA 30 5.302 1.095 8.445
187 HA ALA 30 HA ALA 30 6.904 2.838 9.964
188 HB1 ALA 30 HB1 ALA 30 5.342 1.521 11.672
189 HB2 ALA 30 HB2 ALA 30 7.007 1.957 12.055
190 HB3 ALA 30 HB3 ALA 30 6.627 0.325 11.508
191 H ARG 31 HN ARG 31 6.407 -0.531 8.994
192 HA ARG 31 HA ARG 31 9.250 -0.641 8.221
193 HB2 ARG 31 HB2 ARG 31 7.477 -2.928 9.096
194 HB3 ARG 31 HB1 ARG 31 9.153 -3.071 8.587
195 HG2 ARG 31 HG2 ARG 31 9.897 -2.565 10.613
196 HG3 ARG 31 HG1 ARG 31 8.877 -1.128 10.700
197 HD2 ARG 31 HD2 ARG 31 7.661 -2.171 12.241
198 HD3 ARG 31 HD1 ARG 31 7.131 -3.291 10.987
199 HE ARG 31 HE ARG 31 9.016 -3.809 13.095
200 HH11 ARG 31 HH11 ARG 31 7.950 -4.760 9.911
201 HH12 ARG 31 HH12 ARG 31 8.580 -6.367 10.044
202 HH21 ARG 31 HH21 ARG 31 9.846 -5.922 13.271
203 HH22 ARG 31 HH22 ARG 31 9.655 -7.028 11.952
204 HA PRO 32 HA PRO 32 6.855 -0.968 4.303
205 HB2 PRO 32 HB2 PRO 32 8.770 0.198 2.769
206 HB3 PRO 32 HB1 PRO 32 7.575 1.125 3.683
207 HG2 PRO 32 HG2 PRO 32 10.418 0.494 4.378
208 HG3 PRO 32 HG1 PRO 32 9.538 2.024 4.548
209 HD2 PRO 32 HD2 PRO 32 9.959 0.355 6.634
210 HD3 PRO 32 HD1 PRO 32 8.500 1.357 6.496
211 H HIS 33 HN HIS 33 6.952 -3.144 3.949
212 HA HIS 33 HA HIS 33 9.132 -4.110 2.336
213 HB2 HIS 33 HB2 HIS 33 9.382 -4.497 5.063
214 HB3 HIS 33 HB1 HIS 33 8.685 -6.015 4.512
215 HD1 HIS 33 HD1 HIS 33 11.646 -3.767 3.745
216 HD2 HIS 33 HD2 HIS 33 10.490 -7.747 3.445
217 HE1 HIS 33 HE1 HIS 33 13.692 -5.006 2.970
218 HE2 HIS 33 HE2 HIS 33 12.993 -7.425 2.881
219 H SER 34 HN SER 34 6.860 -3.855 1.243
220 HA SER 34 HA SER 34 5.949 -6.480 0.682
221 HB2 SER 34 HB2 SER 34 4.138 -4.662 2.274
222 HB3 SER 34 HB1 SER 34 3.533 -6.013 1.316
223 HG SER 34 HG SER 34 4.973 -6.015 3.692
224 H ASP 35 HN ASP 35 4.782 -6.587 -1.217
225 HA ASP 35 HA ASP 35 5.154 -4.565 -3.090
226 HB2 ASP 35 HB2 ASP 35 4.425 -7.156 -3.248
227 HB3 ASP 35 HB1 ASP 35 2.865 -6.393 -3.541
228 H PHE 36 HN PHE 36 2.277 -5.370 -1.176
229 HA PHE 36 HA PHE 36 0.522 -3.541 -2.366
230 HB2 PHE 36 HB2 PHE 36 -0.852 -3.793 -0.373
231 HB3 PHE 36 HB1 PHE 36 -0.203 -5.355 -0.857
232 HD1 PHE 36 HD1 PHE 36 0.486 -2.514 1.450
233 HD2 PHE 36 HD2 PHE 36 0.829 -6.692 0.714
234 HE1 PHE 36 HE1 PHE 36 1.380 -2.837 3.720
235 HE2 PHE 36 HE2 PHE 36 1.723 -7.022 2.982
236 HZ PHE 36 HZ PHE 36 1.999 -5.093 4.488
237 H CYS 37 HN CYS 37 3.065 -3.089 -0.045
238 HA CYS 37 HA CYS 37 2.178 -0.496 0.822
239 HB2 CYS 37 HB2 CYS 37 3.734 -2.227 2.036
240 HB3 CYS 37 HB1 CYS 37 5.007 -1.436 1.114
241 H LEU 38 HN LEU 38 4.458 -1.758 -1.542
242 HA LEU 38 HA LEU 38 5.782 0.612 -2.196
243 HB2 LEU 38 HB2 LEU 38 6.386 -1.712 -2.931
244 HB3 LEU 38 HB1 LEU 38 5.086 -1.617 -4.104
245 HG LEU 38 HG LEU 38 6.515 0.653 -4.669
246 HD11 LEU 38 HD11 LEU 38 8.878 -0.456 -4.917
247 HD12 LEU 38 HD12 LEU 38 8.344 -1.397 -3.524
248 HD13 LEU 38 HD13 LEU 38 8.415 0.362 -3.425
249 HD21 LEU 38 HD21 LEU 38 7.027 -2.055 -5.886
250 HD22 LEU 38 HD22 LEU 38 7.181 -0.478 -6.661
251 HD23 LEU 38 HD23 LEU 38 5.589 -1.086 -6.209
252 H GLY 39 HN GLY 39 2.618 -0.560 -3.082
253 HA2 GLY 39 HA2 GLY 39 2.293 1.538 -5.092
254 HA3 GLY 39 HA1 GLY 39 1.154 0.245 -4.747
255 H CYS 40 HN CYS 40 0.974 0.603 -1.942
256 HA CYS 40 HA CYS 40 -0.903 2.770 -1.883
257 HB2 CYS 40 HB2 CYS 40 -1.019 0.498 -0.638
258 HB3 CYS 40 HB1 CYS 40 0.026 1.271 0.550
259 H ALA 41 HN ALA 41 2.071 2.059 -0.049
260 HA ALA 41 HA ALA 41 2.200 4.511 1.301
261 HB1 ALA 41 HB1 ALA 41 3.644 2.177 1.330
262 HB2 ALA 41 HB2 ALA 41 4.020 3.632 2.253
263 HB3 ALA 41 HB3 ALA 41 4.804 3.346 0.700
264 H ALA 42 HN ALA 42 4.538 5.725 0.932
265 HA ALA 42 HA ALA 42 5.624 7.309 -0.281
266 HB1 ALA 42 HB1 ALA 42 4.932 5.414 -2.514
267 HB2 ALA 42 HB2 ALA 42 6.461 5.559 -1.649
268 HB3 ALA 42 HB3 ALA 42 5.936 6.847 -2.733
269 H ALA 43 HN ALA 43 3.361 6.570 -2.895
270 HA ALA 43 HA ALA 43 1.881 7.892 -4.016
271 HB1 ALA 43 HB1 ALA 43 1.075 9.147 -1.431
272 HB2 ALA 43 HB2 ALA 43 0.806 7.423 -1.686
273 HB3 ALA 43 HB3 ALA 43 0.074 8.600 -2.776
274 HA PRO 44 HA PRO 44 4.697 11.658 -3.479
275 HB2 PRO 44 HB2 PRO 44 5.968 11.451 -5.872
276 HB3 PRO 44 HB1 PRO 44 6.559 10.678 -4.396
277 HG2 PRO 44 HG2 PRO 44 4.983 9.498 -6.650
278 HG3 PRO 44 HG1 PRO 44 6.376 8.822 -5.786
279 HD2 PRO 44 HD2 PRO 44 3.837 8.064 -5.251
280 HD3 PRO 44 HD1 PRO 44 5.090 8.134 -3.996
281 HA PRO 45 HA PRO 45 1.943 14.218 -5.797
282 HB2 PRO 45 HB2 PRO 45 4.240 15.994 -6.372
283 HB3 PRO 45 HB1 PRO 45 2.730 16.345 -5.527
284 HG2 PRO 45 HG2 PRO 45 5.043 16.119 -4.203
285 HG3 PRO 45 HG1 PRO 45 3.517 15.541 -3.508
286 HD2 PRO 45 HD2 PRO 45 5.733 13.984 -4.779
287 HD3 PRO 45 HD1 PRO 45 4.744 13.587 -3.358
288 H ALA 46 HN ALA 46 5.116 14.577 -7.389
289 HA ALA 46 HA ALA 46 3.876 13.640 -9.892
290 HB1 ALA 46 HB1 ALA 46 5.708 15.343 -10.855
291 HB2 ALA 46 HB2 ALA 46 5.324 16.154 -9.337
292 HB3 ALA 46 HB3 ALA 46 4.045 15.812 -10.501
293 HA PRO 47 HA PRO 47 7.718 11.198 -9.054
294 HB2 PRO 47 HB2 PRO 47 6.661 8.764 -9.503
295 HB3 PRO 47 HB1 PRO 47 6.481 9.589 -7.950
296 HG2 PRO 47 HG2 PRO 47 4.535 9.369 -10.215
297 HG3 PRO 47 HG1 PRO 47 4.246 9.210 -8.472
298 HD2 PRO 47 HD2 PRO 47 3.717 11.486 -9.883
299 HD3 PRO 47 HD1 PRO 47 4.134 11.479 -8.158
300 H PHE 48 HN PHE 48 8.309 9.074 -10.564
301 HA PHE 48 HA PHE 48 7.719 9.709 -13.353
302 HB2 PHE 48 HB2 PHE 48 10.147 10.452 -12.075
303 HB3 PHE 48 HB1 PHE 48 10.516 9.130 -13.176
304 HD1 PHE 48 HD2 PHE 48 8.586 12.321 -13.112
305 HD2 PHE 48 HD1 PHE 48 11.021 9.646 -15.353
306 HE1 PHE 48 HE2 PHE 48 8.573 13.898 -15.000
307 HE2 PHE 48 HE1 PHE 48 11.012 11.219 -17.246
308 HZ PHE 48 HZ PHE 48 9.787 13.348 -17.071
309 H ARG 49 HN ARG 49 6.988 7.865 -14.164
310 HA ARG 49 HA ARG 49 6.788 5.667 -14.710
311 HB2 ARG 49 HB2 ARG 49 9.696 5.924 -14.096
312 HB3 ARG 49 HB1 ARG 49 9.027 4.308 -14.280
313 HG2 ARG 49 HG2 ARG 49 8.010 5.422 -16.478
314 HG3 ARG 49 HG1 ARG 49 9.445 6.431 -16.292
315 HD2 ARG 49 HD2 ARG 49 9.931 3.565 -15.933
316 HD3 ARG 49 HD1 ARG 49 9.375 4.008 -17.547
317 HE ARG 49 HE ARG 49 11.946 4.472 -16.465
318 HH11 ARG 49 HH11 ARG 49 9.526 5.954 -18.497
319 HH12 ARG 49 HH12 ARG 49 10.674 6.890 -19.396
320 HH21 ARG 49 HH21 ARG 49 13.457 5.703 -17.644
321 HH22 ARG 49 HH22 ARG 49 12.905 6.747 -18.911
322 H LEU 50 HN LEU 50 5.311 5.661 -12.833
323 HA LEU 50 HA LEU 50 6.126 4.717 -10.296
324 HB2 LEU 50 HB2 LEU 50 3.500 4.953 -11.712
325 HB3 LEU 50 HB1 LEU 50 3.591 4.073 -10.197
326 HG LEU 50 HG LEU 50 4.620 6.887 -10.413
327 HD11 LEU 50 HD11 LEU 50 1.803 5.938 -10.223
328 HD12 LEU 50 HD12 LEU 50 2.470 7.334 -11.070
329 HD13 LEU 50 HD13 LEU 50 2.291 7.370 -9.316
330 HD21 LEU 50 HD21 LEU 50 4.257 6.910 -8.032
331 HD22 LEU 50 HD22 LEU 50 5.223 5.496 -8.456
332 HD23 LEU 50 HD23 LEU 50 3.506 5.315 -8.095
333 H LEU 51 HN LEU 51 6.314 2.708 -9.463
334 HA LEU 51 HA LEU 51 6.602 0.453 -9.391
335 HB2 LEU 51 HB2 LEU 51 4.398 0.287 -11.434
336 HB3 LEU 51 HB1 LEU 51 4.851 -0.918 -10.243
337 HG LEU 51 HG LEU 51 4.003 1.695 -9.156
338 HD11 LEU 51 HD11 LEU 51 2.485 0.879 -11.202
339 HD12 LEU 51 HD12 LEU 51 1.828 1.668 -9.768
340 HD13 LEU 51 HD13 LEU 51 1.775 -0.090 -9.911
341 HD21 LEU 51 HD21 LEU 51 2.804 -0.858 -8.305
342 HD22 LEU 51 HD22 LEU 51 3.465 0.465 -7.346
343 HD23 LEU 51 HD23 LEU 51 4.547 -0.713 -8.087
344 H TRP 52 HN TRP 52 6.775 -1.588 -10.957
345 HA TRP 52 HA TRP 52 7.482 -1.386 -13.593
346 HB2 TRP 52 HB2 TRP 52 10.093 -1.545 -13.190
347 HB3 TRP 52 HB1 TRP 52 9.292 0.005 -13.409
348 HD1 TRP 52 HD1 TRP 52 11.173 1.278 -12.019
349 HE1 TRP 52 HE1 TRP 52 11.652 1.443 -9.497
350 HE3 TRP 52 HE3 TRP 52 8.294 -2.614 -10.389
351 HZ2 TRP 52 HZ2 TRP 52 10.910 0.099 -7.128
352 HZ3 TRP 52 HZ3 TRP 52 8.236 -3.113 -7.980
353 HH2 TRP 52 HH2 TRP 52 9.517 -1.782 -6.384
354 HA PRO 53 HA PRO 53 7.370 -5.575 -11.420
355 HB2 PRO 53 HB2 PRO 53 5.677 -6.013 -13.830
356 HB3 PRO 53 HB1 PRO 53 5.436 -6.567 -12.170
357 HG2 PRO 53 HG2 PRO 53 4.000 -4.551 -13.149
358 HG3 PRO 53 HG1 PRO 53 4.581 -4.525 -11.473
359 HD2 PRO 53 HD2 PRO 53 5.600 -3.045 -13.857
360 HD3 PRO 53 HD1 PRO 53 5.490 -2.522 -12.164