NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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502279 |
2laq   |
17533 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 TRP 1 HN TRP 1 26.724 -4.462 -13.523
2 HA TRP 1 HA TRP 1 25.793 -5.972 -11.180
3 HB2 TRP 1 2HB TRP 1 28.523 -6.169 -12.436
4 HB3 TRP 1 3HB TRP 1 27.770 -7.255 -11.284
5 HD1 TRP 1 1HD TRP 1 25.762 -8.889 -12.310
6 HE1 TRP 1 1HE TRP 1 25.319 -9.894 -14.709
7 HE3 TRP 1 3HE TRP 1 28.769 -5.634 -14.805
8 HZ2 TRP 1 2HZ TRP 1 26.254 -9.230 -17.322
9 HZ3 TRP 1 3HZ TRP 1 28.948 -5.882 -17.278
10 HH2 TRP 1 2HH TRP 1 27.751 -7.604 -18.535
11 H GLU 2 HN GLU 2 25.579 -3.283 -10.863
12 HA GLU 2 HA GLU 2 27.268 -2.775 -8.757
13 HB2 GLU 2 2HB GLU 2 28.637 -0.886 -9.685
14 HB3 GLU 2 3HB GLU 2 29.082 -2.450 -10.339
15 HG2 GLU 2 2HG GLU 2 28.235 -1.974 -12.455
16 HG3 GLU 2 3HG GLU 2 26.973 -0.926 -11.840
17 H TRP 3 HN TRP 3 24.778 -2.569 -8.443
18 HA TRP 3 HA TRP 3 24.199 0.221 -8.273
19 HB2 TRP 3 2HB TRP 3 22.612 -1.482 -10.199
20 HB3 TRP 3 3HB TRP 3 22.045 0.045 -9.548
21 HD1 TRP 3 1HD TRP 3 24.597 -1.349 -12.061
22 HE1 TRP 3 1HE TRP 3 25.567 0.557 -13.607
23 HE3 TRP 3 3HE TRP 3 22.509 2.515 -9.499
24 HZ2 TRP 3 2HZ TRP 3 25.357 3.402 -13.586
25 HZ3 TRP 3 3HZ TRP 3 22.941 4.826 -10.329
26 HH2 TRP 3 2HH TRP 3 24.309 5.301 -12.298
27 HA PRO 4 HA PRO 4 22.423 -1.358 -4.673
28 HB2 PRO 4 2HB PRO 4 20.625 0.658 -4.017
29 HB3 PRO 4 3HB PRO 4 22.384 0.836 -4.009
30 HG2 PRO 4 2HG PRO 4 20.452 1.653 -6.249
31 HG3 PRO 4 3HG PRO 4 21.737 2.636 -5.514
32 HD2 PRO 4 2HD PRO 4 22.143 1.278 -7.900
33 HD3 PRO 4 3HD PRO 4 23.472 1.440 -6.716
34 H TRP 5 HN TRP 5 21.326 -3.506 -5.448
35 HA TRP 5 HA TRP 5 18.419 -3.110 -5.376
36 HB2 TRP 5 2HB TRP 5 18.070 -4.715 -7.087
37 HB3 TRP 5 3HB TRP 5 19.167 -3.494 -7.701
38 HD1 TRP 5 1HD TRP 5 21.781 -4.292 -8.076
39 HE1 TRP 5 1HE TRP 5 22.928 -6.633 -8.490
40 HE3 TRP 5 3HE TRP 5 17.859 -7.090 -6.449
41 HZ2 TRP 5 2HZ TRP 5 22.084 -9.331 -8.100
42 HZ3 TRP 5 3HZ TRP 5 18.102 -9.570 -6.499
43 HH2 TRP 5 2HH TRP 5 20.124 -10.695 -7.289
44 H ASN 6 HN ASN 6 20.099 -3.552 -3.131
45 HA ASN 6 HA ASN 6 19.998 -6.405 -2.701
46 HB2 ASN 6 2HB ASN 6 21.280 -5.900 -0.629
47 HB3 ASN 6 3HB ASN 6 22.050 -5.158 -2.017
48 HD21 ASN 6 1HD2 ASN 6 22.945 -3.366 -1.312
49 HD22 ASN 6 2HD2 ASN 6 22.174 -2.099 -0.418
50 H ARG 7 HN ARG 7 18.928 -7.237 -0.671
51 HA ARG 7 HA ARG 7 16.999 -7.470 0.358
52 HB2 ARG 7 2HB ARG 7 18.710 -5.773 1.731
53 HB3 ARG 7 3HB ARG 7 17.233 -4.831 1.734
54 HG2 ARG 7 2HG ARG 7 16.075 -6.370 3.042
55 HG3 ARG 7 3HG ARG 7 16.964 -7.744 2.415
56 HD2 ARG 7 2HD ARG 7 18.752 -5.919 3.861
57 HD3 ARG 7 3HD ARG 7 17.413 -6.413 4.877
58 HE ARG 7 HE ARG 7 19.597 -8.093 3.978
59 HH11 ARG 7 2HH2 ARG 7 16.176 -8.161 4.799
60 HH12 ARG 7 1HH2 ARG 7 16.182 -9.838 5.232
61 HH21 ARG 7 2HH1 ARG 7 19.606 -10.305 4.549
62 HH22 ARG 7 1HH1 ARG 7 18.147 -11.066 5.089
63 H LYS 8 HN LYS 8 15.419 -7.255 -1.349
64 HA LYS 8 HA LYS 8 14.503 -4.714 -2.191
65 HB2 LYS 8 2HB LYS 8 14.129 -7.479 -2.899
66 HB3 LYS 8 3HB LYS 8 12.562 -6.709 -2.752
67 HG2 LYS 8 2HG LYS 8 12.988 -5.176 -4.470
68 HG3 LYS 8 3HG LYS 8 14.719 -5.186 -4.201
69 HD2 LYS 8 2HD LYS 8 14.538 -6.400 -6.207
70 HD3 LYS 8 3HD LYS 8 14.612 -7.684 -5.018
71 HE2 LYS 8 2HE LYS 8 12.154 -7.912 -5.039
72 HE3 LYS 8 3HE LYS 8 12.000 -6.531 -6.107
73 HZ1 LYS 8 3HZ LYS 8 13.692 -8.073 -7.456
74 HZ2 LYS 8 1HZ LYS 8 12.781 -9.212 -6.722
75 HZ3 LYS 8 2HZ LYS 8 12.074 -8.089 -7.672
76 HA HYP 9 HA HYP 9 11.657 -3.344 0.679
77 HB2 HYP 9 3HB HYP 9 10.025 -1.984 -0.422
78 HB3 HYP 9 2HB HYP 9 9.448 -3.318 -1.428
79 HG HYP 9 2HG HYP 9 10.779 -2.043 -2.929
80 HD22 HYP 9 2HD HYP 9 11.390 -4.505 -2.965
81 HD23 HYP 9 3HD HYP 9 12.974 -3.686 -2.903
82 HD1 HYP 9 1HG HYP 9 12.879 -1.289 -2.302
83 H THR 10 HN THR 10 9.199 -3.441 1.536
84 HA THR 10 HA THR 10 7.897 -5.959 1.001
85 HB THR 10 HB THR 10 8.639 -5.348 3.889
86 HG1 THR 10 1HG THR 10 10.629 -6.274 3.434
87 HG21 THR 10 3HG2 THR 10 7.349 -7.240 4.109
88 HG22 THR 10 1HG2 THR 10 7.381 -7.556 2.359
89 HG23 THR 10 2HG2 THR 10 8.730 -8.097 3.385
90 H LYS 11 HN LYS 11 6.094 -5.916 3.167
91 HA LYS 11 HA LYS 11 4.028 -5.072 3.377
92 HB2 LYS 11 2HB LYS 11 4.826 -4.114 5.305
93 HB3 LYS 11 3HB LYS 11 5.980 -3.094 4.468
94 HG2 LYS 11 2HG LYS 11 4.367 -1.469 3.919
95 HG3 LYS 11 3HG LYS 11 3.036 -2.607 3.996
96 HD2 LYS 11 2HD LYS 11 4.616 -1.926 6.499
97 HD3 LYS 11 3HD LYS 11 3.340 -0.861 5.942
98 HE2 LYS 11 2HE LYS 11 2.553 -3.726 5.993
99 HE3 LYS 11 3HE LYS 11 2.972 -3.088 7.570
100 HZ1 LYS 11 3HZ LYS 11 1.473 -1.133 6.598
101 HZ2 LYS 11 1HZ LYS 11 0.765 -2.414 5.875
102 HZ3 LYS 11 2HZ LYS 11 0.884 -2.358 7.503
103 H PHE 12 HN PHE 12 3.398 -5.151 1.127
104 HA PHE 12 HA PHE 12 3.917 -3.358 -0.809
105 HB2 PHE 12 2HB PHE 12 1.340 -3.875 -1.351
106 HB3 PHE 12 3HB PHE 12 2.501 -5.189 -1.367
107 HD1 PHE 12 2HD PHE 12 0.406 -3.411 1.175
108 HD2 PHE 12 1HD PHE 12 1.823 -7.119 -0.326
109 HE1 PHE 12 2HE PHE 12 -0.948 -4.628 2.903
110 HE2 PHE 12 1HE PHE 12 0.470 -8.335 1.402
111 HZ PHE 12 HZ PHE 12 -0.901 -7.076 2.996
112 HA HYP 13 HA HYP 13 2.308 0.570 -0.198
113 HB2 HYP 13 3HB HYP 13 1.692 1.530 -2.302
114 HB3 HYP 13 2HB HYP 13 0.441 0.317 -2.600
115 HG HYP 13 2HG HYP 13 2.219 -0.378 -4.017
116 HD22 HYP 13 2HD HYP 13 1.345 -2.277 -2.578
117 HD23 HYP 13 3HD HYP 13 3.117 -2.432 -2.436
118 HD1 HYP 13 1HG HYP 13 4.396 -0.469 -3.225
119 H ILE 14 HN ILE 14 0.684 2.010 0.600
120 HA ILE 14 HA ILE 14 -1.225 2.623 1.520
121 HB ILE 14 HB ILE 14 -1.981 1.163 -0.882
122 HG12 ILE 14 2HG1 ILE 14 -1.739 3.725 -0.305
123 HG13 ILE 14 3HG1 ILE 14 -2.912 3.161 -1.478
124 HG21 ILE 14 1HG2 ILE 14 -4.106 1.496 1.251
125 HG22 ILE 14 2HG2 ILE 14 -4.335 0.909 -0.412
126 HG23 ILE 14 3HG2 ILE 14 -3.392 -0.055 0.749
127 HD11 ILE 14 3HD1 ILE 14 -3.960 4.757 0.087
128 HD12 ILE 14 1HD1 ILE 14 -4.678 3.140 0.288
129 HD13 ILE 14 2HD1 ILE 14 -3.484 3.736 1.466
130 HA HYP 15 HA HYP 15 -1.422 0.233 5.086
131 HB2 HYP 15 3HB HYP 15 -2.978 1.330 6.536
132 HB3 HYP 15 2HB HYP 15 -4.289 1.245 5.354
133 HG HYP 15 2HG HYP 15 -3.592 3.513 5.228
134 HD22 HYP 15 2HD HYP 15 -3.723 2.425 2.940
135 HD23 HYP 15 3HD HYP 15 -2.164 3.289 2.897
136 HD1 HYP 15 1HG HYP 15 -1.342 4.054 5.100
137 H SER 16 HN SER 16 -3.049 -1.259 6.448
138 HA SER 16 HA SER 16 -3.617 -3.525 5.233
139 HB2 SER 16 2HB SER 16 -4.607 -2.132 7.606
140 HB3 SER 16 3HB SER 16 -5.861 -3.150 6.925
141 HG SER 16 HG SER 16 -3.349 -3.873 8.052
142 HA HYP 17 HA HYP 17 -6.302 -1.792 2.044
143 HB2 HYP 17 3HB HYP 17 -5.681 -3.008 0.078
144 HB3 HYP 17 2HB HYP 17 -5.820 -4.575 0.884
145 HG HYP 17 2HG HYP 17 -3.472 -4.221 0.786
146 HD22 HYP 17 2HD HYP 17 -4.248 -4.847 3.120
147 HD23 HYP 17 3HD HYP 17 -3.141 -3.477 3.406
148 HD1 HYP 17 1HG HYP 17 -2.557 -2.177 1.385
149 H ASN 18 HN ASN 18 -8.468 -1.899 1.455
150 HA ASN 18 HA ASN 18 -10.150 -3.604 2.878
151 HB2 ASN 18 2HB ASN 18 -10.453 -1.307 1.333
152 HB3 ASN 18 3HB ASN 18 -11.183 -2.515 0.295
153 HD21 ASN 18 1HD2 ASN 18 -13.240 -1.759 0.538
154 HD22 ASN 18 2HD2 ASN 18 -14.168 -1.911 1.993
155 HA HYP 19 HA HYP 19 -10.554 -5.532 -1.646
156 HB2 HYP 19 3HB HYP 19 -9.325 -4.861 -3.587
157 HB3 HYP 19 2HB HYP 19 -7.783 -4.841 -2.725
158 HG HYP 19 2HG HYP 19 -8.334 -2.536 -2.906
159 HD22 HYP 19 2HD HYP 19 -7.730 -3.191 -0.530
160 HD23 HYP 19 3HD HYP 19 -9.199 -2.201 -0.324
161 HD1 HYP 19 1HG HYP 19 -10.471 -1.788 -2.406
162 H ARG 20 HN ARG 20 -10.575 -7.622 -0.939
163 HA ARG 20 HA ARG 20 -9.828 -9.610 -0.400
164 HB2 ARG 20 2HB ARG 20 -9.706 -9.698 -2.850
165 HB3 ARG 20 3HB ARG 20 -8.118 -8.956 -2.849
166 HG2 ARG 20 2HG ARG 20 -7.078 -10.947 -2.476
167 HG3 ARG 20 3HG ARG 20 -8.148 -11.343 -1.146
168 HD2 ARG 20 2HD ARG 20 -9.488 -12.663 -2.457
169 HD3 ARG 20 3HD ARG 20 -9.502 -11.504 -3.772
170 HE ARG 20 HE ARG 20 -7.872 -12.802 -4.804
171 HH11 ARG 20 2HH2 ARG 20 -7.562 -13.207 -1.323
172 HH12 ARG 20 1HH2 ARG 20 -6.253 -14.336 -1.442
173 HH21 ARG 20 2HH1 ARG 20 -6.145 -14.290 -4.963
174 HH22 ARG 20 1HH1 ARG 20 -5.442 -14.956 -3.526
175 H ASP 21 HN ASP 21 -8.665 -8.025 1.450
176 HA ASP 21 HA ASP 21 -6.085 -9.259 1.739
177 HB2 ASP 21 2HB ASP 21 -6.562 -6.256 1.677
178 HB3 ASP 21 3HB ASP 21 -5.214 -6.929 2.569
179 H LYS 22 HN LYS 22 -6.753 -10.364 3.632
180 HA LYS 22 HA LYS 22 -7.257 -10.660 5.762
181 HB2 LYS 22 2HB LYS 22 -5.722 -8.522 5.903
182 HB3 LYS 22 3HB LYS 22 -7.211 -7.718 6.357
183 HG2 LYS 22 2HG LYS 22 -7.534 -9.643 8.078
184 HG3 LYS 22 3HG LYS 22 -5.863 -10.064 7.757
185 HD2 LYS 22 2HD LYS 22 -6.329 -7.168 8.299
186 HD3 LYS 22 3HD LYS 22 -6.675 -8.226 9.651
187 HE2 LYS 22 2HE LYS 22 -4.452 -8.984 9.814
188 HE3 LYS 22 3HE LYS 22 -4.102 -8.659 8.127
189 HZ1 LYS 22 3HZ LYS 22 -3.391 -6.667 8.684
190 HZ2 LYS 22 1HZ LYS 22 -4.788 -6.280 9.435
191 HZ3 LYS 22 2HZ LYS 22 -3.595 -7.025 10.264
192 H TRP 23 HN TRP 23 -9.191 -9.500 3.480
193 HA TRP 23 HA TRP 23 -11.336 -8.309 4.791
194 HB2 TRP 23 2HB TRP 23 -12.085 -8.184 2.725
195 HB3 TRP 23 3HB TRP 23 -10.690 -9.104 2.195
196 HD1 TRP 23 1HD TRP 23 -11.204 -11.996 2.471
197 HE1 TRP 23 1HE TRP 23 -13.303 -13.369 1.652
198 HE3 TRP 23 3HE TRP 23 -14.370 -8.024 2.245
199 HZ2 TRP 23 2HZ TRP 23 -15.992 -12.656 1.015
200 HZ3 TRP 23 3HZ TRP 23 -16.715 -8.448 1.515
201 HH2 TRP 23 2HH TRP 23 -17.541 -10.668 0.911
202 H CYS 24 HN CYS 24 -13.621 -9.734 4.571
203 HA CYS 24 HA CYS 24 -14.823 -11.448 5.288
204 HB2 CYS 24 3HB CYS 24 -14.061 -13.549 5.215
205 HB3 CYS 24 2HB CYS 24 -12.653 -12.806 4.483
206 H ARG 25 HN ARG 25 -15.882 -11.022 7.192
207 HA ARG 25 HA ARG 25 -14.184 -10.584 9.517
208 HB2 ARG 25 2HB ARG 25 -15.910 -8.772 8.432
209 HB3 ARG 25 3HB ARG 25 -17.029 -9.602 9.494
210 HG2 ARG 25 2HG ARG 25 -15.177 -9.283 11.336
211 HG3 ARG 25 3HG ARG 25 -14.501 -8.093 10.242
212 HD2 ARG 25 2HD ARG 25 -15.938 -6.630 11.261
213 HD3 ARG 25 3HD ARG 25 -17.161 -7.345 10.231
214 HE ARG 25 HE ARG 25 -16.708 -8.809 12.740
215 HH11 ARG 25 2HH2 ARG 25 -18.540 -6.262 11.149
216 HH12 ARG 25 1HH2 ARG 25 -19.849 -6.320 12.282
217 HH21 ARG 25 2HH1 ARG 25 -18.433 -8.887 14.236
218 HH22 ARG 25 1HH1 ARG 25 -19.788 -7.823 14.049
219 H LEU 26 HN LEU 26 -16.591 -12.568 8.021
220 HA LEU 26 HA LEU 26 -16.963 -13.981 10.549
221 HB2 LEU 26 2HB LEU 26 -19.390 -14.359 9.566
222 HB3 LEU 26 3HB LEU 26 -18.996 -13.045 10.656
223 HG LEU 26 HG LEU 26 -18.553 -12.213 7.923
224 HD11 LEU 26 1HD1 LEU 26 -21.136 -12.212 7.455
225 HD12 LEU 26 2HD1 LEU 26 -20.133 -13.616 7.019
226 HD13 LEU 26 3HD1 LEU 26 -21.117 -13.652 8.500
227 HD21 LEU 26 3HD2 LEU 26 -20.607 -10.695 8.835
228 HD22 LEU 26 1HD2 LEU 26 -19.928 -11.288 10.368
229 HD23 LEU 26 2HD2 LEU 26 -18.893 -10.407 9.219
230 H ASN 27 HN ASN 27 -18.503 -16.092 9.667
231 HA ASN 27 HA ASN 27 -16.594 -17.578 8.309
232 HB2 ASN 27 2HB ASN 27 -19.544 -18.330 8.399
233 HB3 ASN 27 3HB ASN 27 -18.155 -19.395 8.493
234 HD21 ASN 27 1HD2 ASN 27 -16.676 -19.039 10.367
235 HD22 ASN 27 2HD2 ASN 27 -17.379 -18.712 11.916
236 H LEU 28 HN LEU 28 -16.185 -17.587 6.093
237 HA LEU 28 HA LEU 28 -17.992 -16.240 4.331
238 HB2 LEU 28 2HB LEU 28 -15.301 -16.590 4.416
239 HB3 LEU 28 3HB LEU 28 -15.742 -17.805 3.233
240 HG LEU 28 HG LEU 28 -17.051 -15.913 2.052
241 HD11 LEU 28 1HD1 LEU 28 -16.260 -14.474 4.302
242 HD12 LEU 28 2HD1 LEU 28 -15.197 -13.888 2.999
243 HD13 LEU 28 3HD1 LEU 28 -16.965 -13.823 2.803
244 HD21 LEU 28 3HD2 LEU 28 -15.067 -16.934 1.110
245 HD22 LEU 28 1HD2 LEU 28 -15.021 -15.172 0.860
246 HD23 LEU 28 2HD2 LEU 28 -14.023 -15.917 2.131
247 H GLY 29 HN GLY 29 -17.524 -17.967 1.996
248 HA2 GLY 29 2HA GLY 29 -18.951 -20.428 2.716
249 HA3 GLY 29 1HA GLY 29 -19.716 -19.313 1.601
250 HA PRO 30 HA PRO 30 -18.178 -21.251 -1.909
251 HB2 PRO 30 2HB PRO 30 -17.276 -19.144 -3.486
252 HB3 PRO 30 3HB PRO 30 -18.977 -19.479 -3.129
253 HG2 PRO 30 2HG PRO 30 -17.148 -17.463 -1.709
254 HG3 PRO 30 3HG PRO 30 -18.778 -17.179 -2.358
255 HD2 PRO 30 2HD PRO 30 -18.370 -17.731 0.331
256 HD3 PRO 30 3HD PRO 30 -19.824 -18.348 -0.506
257 H ALA 31 HN ALA 31 -16.293 -22.474 -0.548
258 HA ALA 31 HA ALA 31 -14.204 -23.248 -1.050
259 HB1 ALA 31 1HB ALA 31 -14.278 -21.557 -3.057
260 HB2 ALA 31 2HB ALA 31 -13.299 -20.525 -1.986
261 HB3 ALA 31 3HB ALA 31 -12.705 -22.136 -2.458
262 H TRP 32 HN TRP 32 -15.466 -21.883 1.298
263 HA TRP 32 HA TRP 32 -12.965 -21.328 2.703
264 HB2 TRP 32 2HB TRP 32 -14.743 -19.301 1.965
265 HB3 TRP 32 3HB TRP 32 -15.113 -19.623 3.647
266 HD1 TRP 32 1HD TRP 32 -12.781 -19.540 5.338
267 HE1 TRP 32 1HE TRP 32 -10.745 -17.861 5.343
268 HE3 TRP 32 3HE TRP 32 -13.426 -17.923 0.561
269 HZ2 TRP 32 2HZ TRP 32 -9.657 -16.085 3.391
270 HZ3 TRP 32 3HZ TRP 32 -11.833 -16.215 -0.313
271 HH2 TRP 32 2HH TRP 32 -10.000 -15.301 1.019
272 H GLY 33 HN GLY 33 -14.537 -20.643 5.147
273 HA2 GLY 33 2HA GLY 33 -16.371 -21.812 6.314
274 HA3 GLY 33 1HA GLY 33 -15.724 -23.306 5.664
275 H GLY 34 HN GLY 34 -15.971 -21.781 8.489
276 HA2 GLY 34 2HA GLY 34 -14.887 -22.007 10.450
277 HA3 GLY 34 1HA GLY 34 -13.769 -23.113 9.679
278 H ARG 35 HN ARG 35 -12.329 -21.800 7.863
279 HA ARG 35 HA ARG 35 -10.750 -20.119 9.440
280 HB2 ARG 35 2HB ARG 35 -10.722 -20.704 6.438
281 HB3 ARG 35 3HB ARG 35 -9.470 -19.787 7.252
282 HG2 ARG 35 2HG ARG 35 -9.948 -22.250 8.721
283 HG3 ARG 35 3HG ARG 35 -9.696 -22.634 7.030
284 HD2 ARG 35 2HD ARG 35 -7.804 -20.606 8.132
285 HD3 ARG 35 3HD ARG 35 -7.663 -22.197 8.850
286 HE ARG 35 HE ARG 35 -7.805 -22.219 5.913
287 HH11 ARG 35 2HH2 ARG 35 -5.694 -22.066 8.725
288 HH12 ARG 35 1HH2 ARG 35 -4.298 -22.630 7.867
289 HH21 ARG 35 2HH1 ARG 35 -5.964 -22.963 4.781
290 HH22 ARG 35 1HH1 ARG 35 -4.453 -23.144 5.609
291 H CYS 36 HN CYS 36 -9.893 -17.956 8.034
292 HA CYS 36 HA CYS 36 -11.633 -15.991 8.492
293 HB2 CYS 36 3HB CYS 36 -9.561 -15.217 7.954
294 HB3 CYS 36 2HB CYS 36 -9.371 -16.301 6.591
Start of MODEL 2
1 H1 TRP 1 HN TRP 1 21.979 -6.121 8.747
2 HA TRP 1 HA TRP 1 20.905 -7.192 10.651
3 HB2 TRP 1 2HB TRP 1 23.289 -8.286 11.111
4 HB3 TRP 1 3HB TRP 1 23.430 -6.929 12.210
5 HD1 TRP 1 1HD TRP 1 20.240 -6.996 13.122
6 HE1 TRP 1 1HE TRP 1 19.385 -8.825 14.820
7 HE3 TRP 1 3HE TRP 1 24.057 -10.263 12.337
8 HZ2 TRP 1 2HZ TRP 1 20.378 -11.376 15.626
9 HZ3 TRP 1 3HZ TRP 1 24.039 -12.400 13.620
10 HH2 TRP 1 2HH TRP 1 22.283 -12.979 15.219
11 H GLU 2 HN GLU 2 23.699 -4.872 10.902
12 HA GLU 2 HA GLU 2 23.833 -2.899 11.853
13 HB2 GLU 2 2HB GLU 2 22.430 -1.192 10.816
14 HB3 GLU 2 3HB GLU 2 22.829 -2.408 9.620
15 HG2 GLU 2 2HG GLU 2 20.282 -2.719 11.225
16 HG3 GLU 2 3HG GLU 2 20.318 -1.560 9.910
17 H TRP 3 HN TRP 3 21.854 -0.963 12.671
18 HA TRP 3 HA TRP 3 20.688 -2.404 14.953
19 HB2 TRP 3 2HB TRP 3 21.892 0.351 14.740
20 HB3 TRP 3 3HB TRP 3 20.834 -0.111 16.060
21 HD1 TRP 3 1HD TRP 3 24.267 -1.177 14.558
22 HE1 TRP 3 1HE TRP 3 25.808 -2.242 16.417
23 HE3 TRP 3 3HE TRP 3 20.764 -1.106 18.242
24 HZ2 TRP 3 2HZ TRP 3 25.396 -2.922 19.158
25 HZ3 TRP 3 3HZ TRP 3 21.415 -1.989 20.482
26 HH2 TRP 3 2HH TRP 3 23.640 -2.875 20.968
27 HA PRO 4 HA PRO 4 16.779 -1.454 13.402
28 HB2 PRO 4 2HB PRO 4 15.273 -1.299 15.734
29 HB3 PRO 4 3HB PRO 4 16.031 -2.775 15.122
30 HG2 PRO 4 2HG PRO 4 17.132 -0.883 17.274
31 HG3 PRO 4 3HG PRO 4 16.980 -2.651 17.359
32 HD2 PRO 4 2HD PRO 4 19.379 -1.437 16.670
33 HD3 PRO 4 3HD PRO 4 18.898 -2.982 15.909
34 H TRP 5 HN TRP 5 17.128 0.776 12.248
35 HA TRP 5 HA TRP 5 15.444 2.717 13.550
36 HB2 TRP 5 2HB TRP 5 16.988 4.501 13.639
37 HB3 TRP 5 3HB TRP 5 17.694 3.156 14.513
38 HD1 TRP 5 1HD TRP 5 19.776 1.835 13.184
39 HE1 TRP 5 1HE TRP 5 21.596 2.665 11.464
40 HE3 TRP 5 3HE TRP 5 17.310 6.065 11.813
41 HZ2 TRP 5 2HZ TRP 5 21.797 4.946 9.760
42 HZ3 TRP 5 3HZ TRP 5 18.387 7.538 10.114
43 HH2 TRP 5 2HH TRP 5 20.552 7.036 9.097
44 H ASN 6 HN ASN 6 14.825 1.182 11.375
45 HA ASN 6 HA ASN 6 14.239 3.008 9.458
46 HB2 ASN 6 2HB ASN 6 16.980 2.126 9.213
47 HB3 ASN 6 3HB ASN 6 16.088 1.413 7.884
48 HD21 ASN 6 1HD2 ASN 6 18.108 3.594 8.061
49 HD22 ASN 6 2HD2 ASN 6 17.421 4.961 7.249
50 H ARG 7 HN ARG 7 12.300 1.914 9.043
51 HA ARG 7 HA ARG 7 12.586 -0.854 8.206
52 HB2 ARG 7 2HB ARG 7 10.938 0.277 10.393
53 HB3 ARG 7 3HB ARG 7 9.995 -0.689 9.275
54 HG2 ARG 7 2HG ARG 7 12.318 -2.224 9.651
55 HG3 ARG 7 3HG ARG 7 12.025 -1.545 11.241
56 HD2 ARG 7 2HD ARG 7 9.460 -2.325 10.402
57 HD3 ARG 7 3HD ARG 7 10.487 -3.595 9.769
58 HE ARG 7 HE ARG 7 11.265 -3.040 12.475
59 HH11 ARG 7 2HH2 ARG 7 8.639 -4.505 10.648
60 HH12 ARG 7 1HH2 ARG 7 8.176 -5.577 11.928
61 HH21 ARG 7 2HH1 ARG 7 10.655 -4.454 14.164
62 HH22 ARG 7 1HH1 ARG 7 9.331 -5.547 13.942
63 H LYS 8 HN LYS 8 12.658 0.394 6.054
64 HA LYS 8 HA LYS 8 9.908 0.753 5.125
65 HB2 LYS 8 2HB LYS 8 11.636 2.896 5.577
66 HB3 LYS 8 3HB LYS 8 11.771 2.607 3.855
67 HG2 LYS 8 2HG LYS 8 9.524 3.093 3.445
68 HG3 LYS 8 3HG LYS 8 9.002 2.555 5.029
69 HD2 LYS 8 2HD LYS 8 10.691 4.731 5.602
70 HD3 LYS 8 3HD LYS 8 9.848 5.240 4.153
71 HE2 LYS 8 2HE LYS 8 7.708 4.285 5.470
72 HE3 LYS 8 3HE LYS 8 8.718 4.576 6.873
73 HZ1 LYS 8 3HZ LYS 8 8.972 6.800 5.312
74 HZ2 LYS 8 1HZ LYS 8 7.380 6.442 5.256
75 HZ3 LYS 8 2HZ LYS 8 8.115 6.672 6.696
76 HA HYP 9 HA HYP 9 12.501 -2.344 2.897
77 HB2 HYP 9 3HB HYP 9 11.342 -4.422 3.147
78 HB3 HYP 9 2HB HYP 9 9.771 -3.704 2.774
79 HG HYP 9 2HG HYP 9 9.701 -3.967 5.134
80 HD22 HYP 9 2HD HYP 9 9.055 -1.621 4.414
81 HD23 HYP 9 3HD HYP 9 10.176 -1.343 5.773
82 HD1 HYP 9 1HG HYP 9 11.496 -3.322 6.452
83 H THR 10 HN THR 10 12.247 -3.506 0.713
84 HA THR 10 HA THR 10 11.546 -1.833 -1.351
85 HB THR 10 HB THR 10 11.282 -4.858 -1.510
86 HG1 THR 10 1HG THR 10 13.233 -4.812 -0.454
87 HG21 THR 10 3HG2 THR 10 11.623 -4.399 -3.721
88 HG22 THR 10 1HG2 THR 10 11.778 -2.664 -3.359
89 HG23 THR 10 2HG2 THR 10 13.211 -3.718 -3.296
90 H LYS 11 HN LYS 11 9.799 -2.369 -3.073
91 HA LYS 11 HA LYS 11 7.638 -1.908 -3.454
92 HB2 LYS 11 2HB LYS 11 7.510 -4.174 -3.904
93 HB3 LYS 11 3HB LYS 11 7.786 -4.644 -2.239
94 HG2 LYS 11 2HG LYS 11 5.564 -4.510 -1.697
95 HG3 LYS 11 3HG LYS 11 5.337 -3.014 -2.581
96 HD2 LYS 11 2HD LYS 11 4.411 -4.129 -4.324
97 HD3 LYS 11 3HD LYS 11 5.842 -5.126 -4.495
98 HE2 LYS 11 2HE LYS 11 3.455 -5.650 -2.667
99 HE3 LYS 11 3HE LYS 11 3.929 -6.585 -4.071
100 HZ1 LYS 11 3HZ LYS 11 4.828 -7.762 -2.357
101 HZ2 LYS 11 1HZ LYS 11 6.113 -6.842 -2.769
102 HZ3 LYS 11 2HZ LYS 11 5.213 -6.449 -1.464
103 H PHE 12 HN PHE 12 7.408 0.027 -2.196
104 HA PHE 12 HA PHE 12 7.014 0.280 0.444
105 HB2 PHE 12 2HB PHE 12 5.252 2.106 -0.447
106 HB3 PHE 12 3HB PHE 12 6.951 2.274 -0.848
107 HD1 PHE 12 1HD PHE 12 4.154 0.223 -2.252
108 HD2 PHE 12 2HD PHE 12 7.228 3.054 -2.991
109 HE1 PHE 12 1HE PHE 12 3.580 0.209 -4.695
110 HE2 PHE 12 2HE PHE 12 6.654 3.039 -5.433
111 HZ PHE 12 HZ PHE 12 4.837 1.617 -6.257
112 HA HYP 13 HA HYP 13 3.414 -1.462 1.994
113 HB2 HYP 13 3HB HYP 13 2.616 -0.157 3.834
114 HB3 HYP 13 2HB HYP 13 2.314 1.261 2.824
115 HG HYP 13 2HG HYP 13 4.324 1.822 3.961
116 HD22 HYP 13 2HD HYP 13 4.515 2.171 1.455
117 HD23 HYP 13 3HD HYP 13 6.033 1.333 1.872
118 HD1 HYP 13 1HG HYP 13 6.061 0.295 4.117
119 H ILE 14 HN ILE 14 1.588 -2.373 1.208
120 HA ILE 14 HA ILE 14 -0.145 -0.696 -0.450
121 HB ILE 14 HB ILE 14 -0.431 -3.658 -0.169
122 HG12 ILE 14 2HG1 ILE 14 1.170 -3.365 -2.395
123 HG13 ILE 14 3HG1 ILE 14 1.915 -2.259 -1.258
124 HG21 ILE 14 1HG2 ILE 14 -1.237 -1.524 -2.081
125 HG22 ILE 14 2HG2 ILE 14 -0.861 -3.130 -2.749
126 HG23 ILE 14 3HG2 ILE 14 -2.125 -2.956 -1.508
127 HD11 ILE 14 3HD1 ILE 14 2.971 -4.326 -0.790
128 HD12 ILE 14 1HD1 ILE 14 1.721 -4.211 0.472
129 HD13 ILE 14 2HD1 ILE 14 1.453 -5.242 -0.954
130 HA HYP 15 HA HYP 15 -2.924 0.186 2.702
131 HB2 HYP 15 3HB HYP 15 -4.914 0.983 1.637
132 HB3 HYP 15 2HB HYP 15 -5.121 -0.497 0.695
133 HG HYP 15 2HG HYP 15 -4.263 1.046 -0.898
134 HD22 HYP 15 2HD HYP 15 -2.976 -1.141 -0.896
135 HD23 HYP 15 3HD HYP 15 -1.691 0.097 -0.926
136 HD1 HYP 15 1HG HYP 15 -2.445 2.389 -0.385
137 H SER 16 HN SER 16 -4.272 -0.663 4.322
138 HA SER 16 HA SER 16 -4.603 -3.487 4.292
139 HB2 SER 16 2HB SER 16 -4.228 -1.707 6.291
140 HB3 SER 16 3HB SER 16 -5.979 -1.763 6.332
141 HG SER 16 HG SER 16 -4.208 -3.571 7.325
142 HA HYP 17 HA HYP 17 -8.564 -4.057 2.699
143 HB2 HYP 17 3HB HYP 17 -9.499 -6.055 3.625
144 HB3 HYP 17 2HB HYP 17 -9.471 -5.421 5.274
145 HG HYP 17 2HG HYP 17 -7.623 -6.915 5.235
146 HD22 HYP 17 2HD HYP 17 -6.989 -4.633 6.147
147 HD23 HYP 17 3HD HYP 17 -5.663 -5.008 5.014
148 HD1 HYP 17 1HG HYP 17 -6.117 -6.888 3.473
149 H ASN 18 HN ASN 18 -10.412 -2.933 2.309
150 HA ASN 18 HA ASN 18 -11.773 -1.870 4.656
151 HB2 ASN 18 2HB ASN 18 -10.986 -0.524 2.082
152 HB3 ASN 18 3HB ASN 18 -12.579 -0.131 2.699
153 HD21 ASN 18 1HD2 ASN 18 -9.619 1.000 2.587
154 HD22 ASN 18 2HD2 ASN 18 -9.444 1.794 4.117
155 HA HYP 19 HA HYP 19 -15.435 -3.836 3.415
156 HB2 HYP 19 3HB HYP 19 -17.327 -2.594 4.193
157 HB3 HYP 19 2HB HYP 19 -16.905 -1.165 3.242
158 HG HYP 19 2HG HYP 19 -16.247 -0.564 5.445
159 HD22 HYP 19 2HD HYP 19 -14.401 -0.159 3.752
160 HD23 HYP 19 3HD HYP 19 -13.554 -0.957 5.105
161 HD1 HYP 19 1HG HYP 19 -15.037 -2.038 6.763
162 H ARG 20 HN ARG 20 -15.297 -4.772 1.405
163 HA ARG 20 HA ARG 20 -15.562 -5.010 -0.757
164 HB2 ARG 20 2HB ARG 20 -17.875 -5.239 0.105
165 HB3 ARG 20 3HB ARG 20 -18.132 -3.511 -0.045
166 HG2 ARG 20 2HG ARG 20 -18.627 -3.682 -2.259
167 HG3 ARG 20 3HG ARG 20 -17.188 -4.629 -2.582
168 HD2 ARG 20 2HD ARG 20 -18.387 -6.561 -2.661
169 HD3 ARG 20 3HD ARG 20 -19.107 -6.246 -1.094
170 HE ARG 20 HE ARG 20 -20.333 -5.763 -3.682
171 HH11 ARG 20 2HH2 ARG 20 -20.227 -4.597 -0.363
172 HH12 ARG 20 1HH2 ARG 20 -21.814 -3.905 -0.421
173 HH21 ARG 20 2HH1 ARG 20 -22.426 -4.850 -3.758
174 HH22 ARG 20 1HH1 ARG 20 -23.074 -4.050 -2.365
175 H ASP 21 HN ASP 21 -14.092 -2.525 -0.058
176 HA ASP 21 HA ASP 21 -14.986 -0.333 -1.424
177 HB2 ASP 21 2HB ASP 21 -12.792 -0.929 0.082
178 HB3 ASP 21 3HB ASP 21 -12.046 -0.942 -1.504
179 H LYS 22 HN LYS 22 -12.533 0.104 -3.158
180 HA LYS 22 HA LYS 22 -13.589 -0.908 -5.569
181 HB2 LYS 22 2HB LYS 22 -11.442 0.891 -4.704
182 HB3 LYS 22 3HB LYS 22 -11.010 -0.047 -6.119
183 HG2 LYS 22 2HG LYS 22 -12.882 0.765 -7.379
184 HG3 LYS 22 3HG LYS 22 -13.708 1.343 -5.945
185 HD2 LYS 22 2HD LYS 22 -10.992 2.502 -6.556
186 HD3 LYS 22 3HD LYS 22 -12.334 3.004 -7.564
187 HE2 LYS 22 2HE LYS 22 -13.330 4.212 -5.877
188 HE3 LYS 22 3HE LYS 22 -12.952 3.014 -4.654
189 HZ1 LYS 22 3HZ LYS 22 -10.833 4.658 -5.811
190 HZ2 LYS 22 1HZ LYS 22 -11.753 5.229 -4.589
191 HZ3 LYS 22 2HZ LYS 22 -10.853 3.882 -4.374
192 H TRP 23 HN TRP 23 -13.529 -3.193 -4.263
193 HA TRP 23 HA TRP 23 -10.982 -4.510 -4.612
194 HB2 TRP 23 2HB TRP 23 -11.728 -5.872 -3.047
195 HB3 TRP 23 3HB TRP 23 -13.125 -4.826 -2.889
196 HD1 TRP 23 1HD TRP 23 -15.126 -5.590 -4.992
197 HE1 TRP 23 1HE TRP 23 -16.133 -7.991 -5.426
198 HE3 TRP 23 3HE TRP 23 -11.343 -8.154 -2.764
199 HZ2 TRP 23 2HZ TRP 23 -15.254 -10.633 -4.802
200 HZ3 TRP 23 3HZ TRP 23 -11.495 -10.642 -2.719
201 HH2 TRP 23 2HH TRP 23 -13.364 -11.880 -3.691
202 H CYS 24 HN CYS 24 -11.589 -6.996 -5.584
203 HA CYS 24 HA CYS 24 -12.142 -8.186 -7.357
204 HB2 CYS 24 3HB CYS 24 -14.388 -7.032 -7.171
205 HB3 CYS 24 2HB CYS 24 -13.828 -5.903 -8.390
206 H ARG 25 HN ARG 25 -9.753 -6.679 -7.173
207 HA ARG 25 HA ARG 25 -9.379 -5.148 -9.499
208 HB2 ARG 25 2HB ARG 25 -8.040 -5.340 -7.142
209 HB3 ARG 25 3HB ARG 25 -7.034 -6.417 -8.092
210 HG2 ARG 25 2HG ARG 25 -6.729 -4.624 -9.808
211 HG3 ARG 25 3HG ARG 25 -7.745 -3.548 -8.870
212 HD2 ARG 25 2HD ARG 25 -6.094 -3.117 -7.317
213 HD3 ARG 25 3HD ARG 25 -5.504 -4.766 -7.326
214 HE ARG 25 HE ARG 25 -4.874 -3.606 -9.855
215 HH11 ARG 25 2HH2 ARG 25 -3.983 -3.266 -6.468
216 HH12 ARG 25 1HH2 ARG 25 -2.388 -2.685 -6.813
217 HH21 ARG 25 2HH1 ARG 25 -2.770 -2.840 -10.311
218 HH22 ARG 25 1HH1 ARG 25 -1.694 -2.440 -9.014
219 H LEU 26 HN LEU 26 -9.350 -8.557 -8.746
220 HA LEU 26 HA LEU 26 -8.106 -9.090 -11.353
221 HB2 LEU 26 2HB LEU 26 -7.843 -10.599 -8.756
222 HB3 LEU 26 3HB LEU 26 -7.424 -11.292 -10.310
223 HG LEU 26 HG LEU 26 -6.147 -8.702 -9.927
224 HD11 LEU 26 1HD1 LEU 26 -6.392 -9.553 -7.525
225 HD12 LEU 26 2HD1 LEU 26 -5.231 -10.821 -7.987
226 HD13 LEU 26 3HD1 LEU 26 -4.762 -9.106 -8.082
227 HD21 LEU 26 3HD2 LEU 26 -5.083 -9.853 -11.549
228 HD22 LEU 26 1HD2 LEU 26 -4.133 -10.478 -10.179
229 HD23 LEU 26 2HD2 LEU 26 -5.478 -11.439 -10.843
230 H ASN 27 HN ASN 27 -8.759 -11.755 -11.652
231 HA ASN 27 HA ASN 27 -11.395 -11.552 -12.458
232 HB2 ASN 27 2HB ASN 27 -9.246 -13.542 -12.498
233 HB3 ASN 27 3HB ASN 27 -10.771 -14.328 -12.139
234 HD21 ASN 27 1HD2 ASN 27 -8.790 -13.719 -14.548
235 HD22 ASN 27 2HD2 ASN 27 -9.863 -13.500 -15.889
236 H LEU 28 HN LEU 28 -13.294 -11.834 -11.268
237 HA LEU 28 HA LEU 28 -13.015 -12.865 -8.559
238 HB2 LEU 28 2HB LEU 28 -14.268 -10.667 -9.529
239 HB3 LEU 28 3HB LEU 28 -15.601 -11.806 -9.519
240 HG LEU 28 HG LEU 28 -15.119 -12.265 -7.099
241 HD11 LEU 28 1HD1 LEU 28 -12.720 -10.972 -7.605
242 HD12 LEU 28 2HD1 LEU 28 -13.649 -9.787 -6.655
243 HD13 LEU 28 3HD1 LEU 28 -13.369 -11.422 -6.009
244 HD21 LEU 28 3HD2 LEU 28 -16.259 -9.863 -8.290
245 HD22 LEU 28 1HD2 LEU 28 -16.869 -10.895 -6.974
246 HD23 LEU 28 2HD2 LEU 28 -15.707 -9.595 -6.620
247 H GLY 29 HN GLY 29 -15.716 -13.745 -8.209
248 HA2 GLY 29 2HA GLY 29 -16.349 -15.716 -10.194
249 HA3 GLY 29 1HA GLY 29 -15.559 -16.409 -8.791
250 HA PRO 30 HA PRO 30 -19.416 -16.974 -6.939
251 HB2 PRO 30 2HB PRO 30 -18.714 -17.001 -4.249
252 HB3 PRO 30 3HB PRO 30 -18.263 -18.249 -5.419
253 HG2 PRO 30 2HG PRO 30 -16.549 -15.880 -4.484
254 HG3 PRO 30 3HG PRO 30 -16.080 -17.592 -4.567
255 HD2 PRO 30 2HD PRO 30 -15.419 -15.814 -6.593
256 HD3 PRO 30 3HD PRO 30 -15.836 -17.508 -6.980
257 H ALA 31 HN ALA 31 -19.957 -14.385 -7.861
258 HA ALA 31 HA ALA 31 -21.807 -13.363 -6.294
259 HB1 ALA 31 1HB ALA 31 -20.710 -12.939 -4.326
260 HB2 ALA 31 2HB ALA 31 -19.130 -12.746 -5.122
261 HB3 ALA 31 3HB ALA 31 -20.315 -11.418 -5.161
262 H TRP 32 HN TRP 32 -19.066 -12.912 -8.417
263 HA TRP 32 HA TRP 32 -20.521 -10.705 -9.693
264 HB2 TRP 32 2HB TRP 32 -18.219 -10.289 -8.324
265 HB3 TRP 32 3HB TRP 32 -17.574 -10.676 -9.907
266 HD1 TRP 32 1HD TRP 32 -17.863 -8.815 -11.812
267 HE1 TRP 32 1HE TRP 32 -18.720 -6.322 -11.923
268 HE3 TRP 32 3HE TRP 32 -20.033 -8.802 -7.213
269 HZ2 TRP 32 2HZ TRP 32 -20.177 -4.661 -10.116
270 HZ3 TRP 32 3HZ TRP 32 -21.152 -6.704 -6.464
271 HH2 TRP 32 2HH TRP 32 -21.245 -4.682 -7.832
272 H GLY 33 HN GLY 33 -18.238 -10.703 -11.732
273 HA2 GLY 33 2HA GLY 33 -17.917 -13.249 -12.856
274 HA3 GLY 33 1HA GLY 33 -19.353 -12.529 -13.556
275 H GLY 34 HN GLY 34 -18.968 -11.503 -15.463
276 HA2 GLY 34 2HA GLY 34 -17.736 -10.603 -17.151
277 HA3 GLY 34 1HA GLY 34 -17.510 -9.335 -15.963
278 H ARG 35 HN ARG 35 -15.389 -8.734 -16.512
279 HA ARG 35 HA ARG 35 -13.429 -10.754 -15.824
280 HB2 ARG 35 2HB ARG 35 -13.803 -10.234 -18.427
281 HB3 ARG 35 3HB ARG 35 -12.832 -8.818 -18.076
282 HG2 ARG 35 2HG ARG 35 -11.963 -11.652 -17.350
283 HG3 ARG 35 3HG ARG 35 -11.528 -10.878 -18.861
284 HD2 ARG 35 2HD ARG 35 -10.461 -8.996 -17.556
285 HD3 ARG 35 3HD ARG 35 -10.841 -9.840 -16.068
286 HE ARG 35 HE ARG 35 -9.435 -11.636 -17.804
287 HH11 ARG 35 2HH2 ARG 35 -8.877 -8.756 -15.861
288 HH12 ARG 35 1HH2 ARG 35 -7.202 -9.105 -15.593
289 HH21 ARG 35 2HH1 ARG 35 -7.224 -12.098 -17.450
290 HH22 ARG 35 1HH1 ARG 35 -6.256 -11.019 -16.503
291 H CYS 36 HN CYS 36 -13.456 -9.512 -13.752
292 HA CYS 36 HA CYS 36 -12.980 -6.793 -13.613
293 HB2 CYS 36 3HB CYS 36 -13.009 -9.061 -11.797
294 HB3 CYS 36 2HB CYS 36 -11.766 -7.907 -11.357
Start of MODEL 3
1 H1 TRP 1 HN TRP 1 12.582 -6.084 -19.408
2 HA TRP 1 HA TRP 1 13.894 -8.298 -20.574
3 HB2 TRP 1 2HB TRP 1 12.996 -7.499 -22.645
4 HB3 TRP 1 3HB TRP 1 11.775 -7.389 -21.392
5 HD1 TRP 1 1HD TRP 1 11.139 -4.829 -20.548
6 HE1 TRP 1 1HE TRP 1 11.271 -2.459 -21.701
7 HE3 TRP 1 3HE TRP 1 14.376 -6.212 -24.218
8 HZ2 TRP 1 2HZ TRP 1 12.683 -1.450 -23.967
9 HZ3 TRP 1 3HZ TRP 1 15.081 -4.473 -25.859
10 HH2 TRP 1 2HH TRP 1 14.288 -2.163 -25.776
11 H GLU 2 HN GLU 2 14.744 -4.958 -19.833
12 HA GLU 2 HA GLU 2 16.984 -5.075 -21.656
13 HB2 GLU 2 2HB GLU 2 17.339 -2.678 -20.834
14 HB3 GLU 2 3HB GLU 2 15.854 -2.971 -21.716
15 HG2 GLU 2 2HG GLU 2 14.510 -2.727 -19.833
16 HG3 GLU 2 3HG GLU 2 15.729 -3.357 -18.742
17 H TRP 3 HN TRP 3 18.443 -6.553 -20.733
18 HA TRP 3 HA TRP 3 20.082 -7.228 -19.407
19 HB2 TRP 3 2HB TRP 3 19.859 -4.466 -18.196
20 HB3 TRP 3 3HB TRP 3 21.129 -5.617 -17.829
21 HD1 TRP 3 1HD TRP 3 20.295 -2.918 -20.281
22 HE1 TRP 3 1HE TRP 3 22.061 -2.718 -22.232
23 HE3 TRP 3 3HE TRP 3 22.647 -7.320 -19.309
24 HZ2 TRP 3 2HZ TRP 3 24.196 -4.387 -23.129
25 HZ3 TRP 3 3HZ TRP 3 24.563 -7.960 -20.770
26 HH2 TRP 3 2HH TRP 3 25.345 -6.575 -22.625
27 HA PRO 4 HA PRO 4 17.846 -9.222 -16.303
28 HB2 PRO 4 2HB PRO 4 19.890 -10.334 -14.780
29 HB3 PRO 4 3HB PRO 4 19.506 -10.800 -16.443
30 HG2 PRO 4 2HG PRO 4 21.678 -8.836 -15.524
31 HG3 PRO 4 3HG PRO 4 21.854 -10.198 -16.653
32 HD2 PRO 4 2HD PRO 4 21.483 -7.602 -17.565
33 HD3 PRO 4 3HD PRO 4 20.756 -8.979 -18.443
34 H TRP 5 HN TRP 5 16.619 -7.326 -15.155
35 HA TRP 5 HA TRP 5 17.690 -7.093 -12.452
36 HB2 TRP 5 2HB TRP 5 16.977 -4.757 -14.227
37 HB3 TRP 5 3HB TRP 5 17.070 -4.647 -12.480
38 HD1 TRP 5 1HD TRP 5 19.238 -4.317 -15.482
39 HE1 TRP 5 1HE TRP 5 21.805 -4.127 -14.900
40 HE3 TRP 5 3HE TRP 5 18.785 -5.784 -10.635
41 HZ2 TRP 5 2HZ TRP 5 23.323 -4.602 -12.531
42 HZ3 TRP 5 3HZ TRP 5 20.859 -5.895 -9.256
43 HH2 TRP 5 2HH TRP 5 23.071 -5.333 -10.130
44 H ASN 6 HN ASN 6 15.200 -4.861 -13.204
45 HA ASN 6 HA ASN 6 13.053 -6.699 -13.170
46 HB2 ASN 6 2HB ASN 6 13.880 -5.254 -10.630
47 HB3 ASN 6 3HB ASN 6 12.175 -5.525 -10.927
48 HD21 ASN 6 1HD2 ASN 6 13.952 -6.610 -8.881
49 HD22 ASN 6 2HD2 ASN 6 13.878 -8.337 -8.994
50 H ARG 7 HN ARG 7 10.913 -5.433 -13.194
51 HA ARG 7 HA ARG 7 11.425 -2.845 -14.366
52 HB2 ARG 7 2HB ARG 7 9.768 -4.944 -15.125
53 HB3 ARG 7 3HB ARG 7 8.629 -3.883 -14.320
54 HG2 ARG 7 2HG ARG 7 9.795 -1.985 -15.772
55 HG3 ARG 7 3HG ARG 7 10.329 -3.326 -16.765
56 HD2 ARG 7 2HD ARG 7 7.427 -3.338 -16.007
57 HD3 ARG 7 3HD ARG 7 7.925 -2.068 -17.106
58 HE ARG 7 HE ARG 7 8.346 -3.679 -18.774
59 HH11 ARG 7 2HH2 ARG 7 7.838 -5.263 -15.673
60 HH12 ARG 7 1HH2 ARG 7 7.742 -6.852 -16.356
61 HH21 ARG 7 2HH1 ARG 7 8.219 -5.776 -19.676
62 HH22 ARG 7 1HH1 ARG 7 7.960 -7.146 -18.649
63 H LYS 8 HN LYS 8 11.843 -2.704 -11.659
64 HA LYS 8 HA LYS 8 11.095 -1.971 -9.683
65 HB2 LYS 8 2HB LYS 8 11.474 0.136 -10.516
66 HB3 LYS 8 3HB LYS 8 10.255 -0.003 -11.767
67 HG2 LYS 8 2HG LYS 8 8.522 0.631 -10.358
68 HG3 LYS 8 3HG LYS 8 9.250 -0.107 -8.946
69 HD2 LYS 8 2HD LYS 8 11.094 1.846 -9.397
70 HD3 LYS 8 3HD LYS 8 9.694 2.626 -10.106
71 HE2 LYS 8 2HE LYS 8 9.232 3.290 -7.966
72 HE3 LYS 8 3HE LYS 8 8.598 1.669 -7.765
73 HZ1 LYS 8 3HZ LYS 8 11.294 1.453 -7.403
74 HZ2 LYS 8 1HZ LYS 8 10.881 2.815 -6.603
75 HZ3 LYS 8 2HZ LYS 8 10.146 1.402 -6.243
76 HA HYP 9 HA HYP 9 7.157 -4.324 -10.157
77 HB2 HYP 9 3HB HYP 9 7.538 -6.411 -9.051
78 HB3 HYP 9 2HB HYP 9 8.298 -5.644 -7.652
79 HG HYP 9 2HG HYP 9 10.146 -6.529 -8.857
80 HD22 HYP 9 2HD HYP 9 10.478 -4.085 -8.256
81 HD23 HYP 9 3HD HYP 9 10.980 -4.163 -9.966
82 HD1 HYP 9 1HG HYP 9 10.317 -6.230 -11.149
83 H THR 10 HN THR 10 5.198 -3.727 -9.386
84 HA THR 10 HA THR 10 3.664 -2.782 -8.056
85 HB THR 10 HB THR 10 3.266 -4.573 -6.693
86 HG1 THR 10 1HG THR 10 5.542 -3.520 -5.172
87 HG21 THR 10 3HG2 THR 10 4.954 -6.217 -6.149
88 HG22 THR 10 1HG2 THR 10 5.374 -5.629 -7.775
89 HG23 THR 10 2HG2 THR 10 6.267 -5.034 -6.355
90 H LYS 11 HN LYS 11 3.374 -1.759 -5.618
91 HA LYS 11 HA LYS 11 5.636 0.063 -5.249
92 HB2 LYS 11 2HB LYS 11 3.630 0.952 -6.705
93 HB3 LYS 11 3HB LYS 11 2.829 1.128 -5.158
94 HG2 LYS 11 2HG LYS 11 4.241 2.823 -4.454
95 HG3 LYS 11 3HG LYS 11 5.640 2.146 -5.264
96 HD2 LYS 11 2HD LYS 11 4.330 2.808 -7.482
97 HD3 LYS 11 3HD LYS 11 3.443 3.883 -6.418
98 HE2 LYS 11 2HE LYS 11 5.887 4.583 -5.588
99 HE3 LYS 11 3HE LYS 11 6.381 3.929 -7.137
100 HZ1 LYS 11 3HZ LYS 11 4.351 6.018 -6.745
101 HZ2 LYS 11 1HZ LYS 11 5.868 6.250 -7.304
102 HZ3 LYS 11 2HZ LYS 11 4.793 5.400 -8.191
103 H PHE 12 HN PHE 12 5.555 -2.064 -3.671
104 HA PHE 12 HA PHE 12 5.205 -2.862 -1.632
105 HB2 PHE 12 2HB PHE 12 4.963 -0.024 -0.598
106 HB3 PHE 12 3HB PHE 12 6.000 -1.309 -0.010
107 HD1 PHE 12 1HD PHE 12 8.008 -1.964 -1.482
108 HD2 PHE 12 2HD PHE 12 5.828 1.641 -1.989
109 HE1 PHE 12 1HE PHE 12 9.950 -0.964 -2.721
110 HE2 PHE 12 2HE PHE 12 7.769 2.642 -3.227
111 HZ PHE 12 HZ PHE 12 9.807 1.328 -3.577
112 HA HYP 13 HA HYP 13 1.230 -2.908 0.037
113 HB2 HYP 13 3HB HYP 13 1.281 -3.456 2.365
114 HB3 HYP 13 2HB HYP 13 2.116 -1.960 2.800
115 HG HYP 13 2HG HYP 13 3.839 -3.594 2.901
116 HD22 HYP 13 2HD HYP 13 4.511 -1.581 1.510
117 HD23 HYP 13 3HD HYP 13 5.032 -2.966 0.513
118 HD1 HYP 13 1HG HYP 13 4.097 -5.150 1.202
119 H ILE 14 HN ILE 14 -0.761 -1.934 0.951
120 HA ILE 14 HA ILE 14 -0.518 0.952 1.414
121 HB ILE 14 HB ILE 14 -2.707 -0.419 -0.153
122 HG12 ILE 14 2HG1 ILE 14 -1.181 1.607 -1.570
123 HG13 ILE 14 3HG1 ILE 14 -0.135 0.317 -1.012
124 HG21 ILE 14 1HG2 ILE 14 -3.564 1.460 1.110
125 HG22 ILE 14 2HG2 ILE 14 -2.249 2.502 0.515
126 HG23 ILE 14 3HG2 ILE 14 -3.475 1.882 -0.617
127 HD11 ILE 14 3HD1 ILE 14 -2.732 -0.574 -2.189
128 HD12 ILE 14 1HD1 ILE 14 -1.583 0.183 -3.319
129 HD13 ILE 14 2HD1 ILE 14 -1.098 -1.254 -2.387
130 HA HYP 15 HA HYP 15 -1.977 0.178 5.380
131 HB2 HYP 15 3HB HYP 15 -2.569 2.309 6.295
132 HB3 HYP 15 2HB HYP 15 -3.719 2.656 4.999
133 HG HYP 15 2HG HYP 15 -1.839 3.995 4.430
134 HD22 HYP 15 2HD HYP 15 -2.639 2.591 2.474
135 HD23 HYP 15 3HD HYP 15 -0.869 2.374 2.441
136 HD1 HYP 15 1HG HYP 15 0.304 3.112 4.490
137 H SER 16 HN SER 16 -3.556 -0.926 6.490
138 HA SER 16 HA SER 16 -5.444 -1.900 6.937
139 HB2 SER 16 2HB SER 16 -6.895 0.390 5.559
140 HB3 SER 16 3HB SER 16 -7.460 -0.577 6.906
141 HG SER 16 HG SER 16 -5.943 0.408 8.284
142 HA HYP 17 HA HYP 17 -6.910 -4.425 3.767
143 HB2 HYP 17 3HB HYP 17 -8.894 -5.545 4.498
144 HB3 HYP 17 2HB HYP 17 -9.802 -4.039 4.664
145 HG HYP 17 2HG HYP 17 -9.271 -4.603 6.911
146 HD22 HYP 17 2HD HYP 17 -8.659 -2.203 6.358
147 HD23 HYP 17 3HD HYP 17 -7.222 -2.807 7.227
148 HD1 HYP 17 1HG HYP 17 -7.126 -5.264 7.490
149 H ASN 18 HN ASN 18 -7.090 -4.230 1.603
150 HA ASN 18 HA ASN 18 -8.362 -2.058 0.408
151 HB2 ASN 18 2HB ASN 18 -6.645 -4.111 -0.409
152 HB3 ASN 18 3HB ASN 18 -8.132 -4.526 -1.239
153 HD21 ASN 18 1HD2 ASN 18 -6.635 -4.056 -3.070
154 HD22 ASN 18 2HD2 ASN 18 -6.587 -2.442 -3.699
155 HA HYP 19 HA HYP 19 -11.524 -5.684 -0.732
156 HB2 HYP 19 3HB HYP 19 -11.422 -7.943 0.052
157 HB3 HYP 19 2HB HYP 19 -11.115 -7.454 1.722
158 HG HYP 19 2HG HYP 19 -8.976 -8.161 0.962
159 HD22 HYP 19 2HD HYP 19 -8.894 -5.872 2.053
160 HD23 HYP 19 3HD HYP 19 -7.921 -5.660 0.572
161 HD1 HYP 19 1HG HYP 19 -8.164 -7.468 -1.097
162 H ARG 20 HN ARG 20 -13.319 -4.433 -0.452
163 HA ARG 20 HA ARG 20 -15.063 -3.548 0.520
164 HB2 ARG 20 2HB ARG 20 -15.838 -5.857 0.274
165 HB3 ARG 20 3HB ARG 20 -15.046 -6.341 1.759
166 HG2 ARG 20 2HG ARG 20 -16.795 -4.110 2.350
167 HG3 ARG 20 3HG ARG 20 -17.703 -5.290 1.427
168 HD2 ARG 20 2HD ARG 20 -16.294 -6.898 3.229
169 HD3 ARG 20 3HD ARG 20 -16.646 -5.475 4.190
170 HE ARG 20 HE ARG 20 -18.973 -6.387 2.683
171 HH11 ARG 20 2HH2 ARG 20 -17.106 -6.891 5.623
172 HH12 ARG 20 1HH2 ARG 20 -18.434 -7.574 6.501
173 HH21 ARG 20 2HH1 ARG 20 -20.724 -7.289 3.840
174 HH22 ARG 20 1HH1 ARG 20 -20.506 -7.803 5.480
175 H ASP 21 HN ASP 21 -13.050 -2.357 1.811
176 HA ASP 21 HA ASP 21 -14.022 -2.258 4.516
177 HB2 ASP 21 2HB ASP 21 -11.169 -2.934 3.720
178 HB3 ASP 21 3HB ASP 21 -11.489 -2.113 5.235
179 H LYS 22 HN LYS 22 -14.684 -0.078 4.291
180 HA LYS 22 HA LYS 22 -14.514 2.117 4.138
181 HB2 LYS 22 2HB LYS 22 -11.578 1.481 4.457
182 HB3 LYS 22 3HB LYS 22 -12.146 3.126 4.263
183 HG2 LYS 22 2HG LYS 22 -13.402 1.305 6.345
184 HG3 LYS 22 3HG LYS 22 -11.902 2.140 6.689
185 HD2 LYS 22 2HD LYS 22 -13.114 3.972 7.247
186 HD3 LYS 22 3HD LYS 22 -13.568 4.131 5.562
187 HE2 LYS 22 2HE LYS 22 -15.627 2.994 5.867
188 HE3 LYS 22 3HE LYS 22 -15.082 2.183 7.321
189 HZ1 LYS 22 3HZ LYS 22 -14.897 4.698 8.074
190 HZ2 LYS 22 1HZ LYS 22 -16.126 4.842 7.007
191 HZ3 LYS 22 2HZ LYS 22 -16.256 3.813 8.269
192 H TRP 23 HN TRP 23 -14.037 0.023 1.771
193 HA TRP 23 HA TRP 23 -12.662 1.396 -0.229
194 HB2 TRP 23 2HB TRP 23 -13.043 -0.491 -1.297
195 HB3 TRP 23 3HB TRP 23 -14.014 -1.035 0.056
196 HD1 TRP 23 1HD TRP 23 -16.777 -0.038 -0.191
197 HE1 TRP 23 1HE TRP 23 -18.374 -0.148 -2.289
198 HE3 TRP 23 3HE TRP 23 -13.077 -0.580 -3.636
199 HZ2 TRP 23 2HZ TRP 23 -17.920 -0.444 -5.091
200 HZ3 TRP 23 3HZ TRP 23 -13.739 -0.772 -6.031
201 HH2 TRP 23 2HH TRP 23 -16.066 -0.712 -6.778
202 H CYS 24 HN CYS 24 -14.248 1.855 -2.393
203 HA CYS 24 HA CYS 24 -15.681 3.231 -3.332
204 HB2 CYS 24 3HB CYS 24 -17.411 2.130 -1.985
205 HB3 CYS 24 2HB CYS 24 -17.128 3.259 -0.675
206 H ARG 25 HN ARG 25 -13.211 4.158 -2.261
207 HA ARG 25 HA ARG 25 -13.637 6.457 -0.702
208 HB2 ARG 25 2HB ARG 25 -11.454 4.924 -1.243
209 HB3 ARG 25 3HB ARG 25 -11.169 6.198 -2.412
210 HG2 ARG 25 2HG ARG 25 -11.865 7.645 -0.134
211 HG3 ARG 25 3HG ARG 25 -10.997 6.284 0.548
212 HD2 ARG 25 2HD ARG 25 -9.399 6.995 -1.639
213 HD3 ARG 25 3HD ARG 25 -9.971 8.547 -1.060
214 HE ARG 25 HE ARG 25 -8.067 6.825 0.268
215 HH11 ARG 25 2HH2 ARG 25 -10.674 9.096 0.916
216 HH12 ARG 25 1HH2 ARG 25 -10.071 9.540 2.478
217 HH21 ARG 25 2HH1 ARG 25 -7.271 7.409 2.328
218 HH22 ARG 25 1HH1 ARG 25 -8.121 8.574 3.286
219 H LEU 26 HN LEU 26 -13.902 5.688 -4.092
220 HA LEU 26 HA LEU 26 -13.945 8.559 -4.724
221 HB2 LEU 26 2HB LEU 26 -13.067 6.202 -6.388
222 HB3 LEU 26 3HB LEU 26 -13.443 7.768 -7.079
223 HG LEU 26 HG LEU 26 -11.017 7.365 -6.727
224 HD11 LEU 26 1HD1 LEU 26 -10.852 9.584 -5.155
225 HD12 LEU 26 2HD1 LEU 26 -11.197 9.595 -6.901
226 HD13 LEU 26 3HD1 LEU 26 -12.533 9.687 -5.730
227 HD21 LEU 26 3HD2 LEU 26 -11.342 7.796 -3.785
228 HD22 LEU 26 1HD2 LEU 26 -11.567 6.158 -4.448
229 HD23 LEU 26 2HD2 LEU 26 -10.025 7.014 -4.693
230 H ASN 27 HN ASN 27 -15.243 8.485 -7.163
231 HA ASN 27 HA ASN 27 -17.871 8.235 -6.331
232 HB2 ASN 27 2HB ASN 27 -17.029 8.156 -9.257
233 HB3 ASN 27 3HB ASN 27 -18.444 8.922 -8.564
234 HD21 ASN 27 1HD2 ASN 27 -16.600 10.155 -10.288
235 HD22 ASN 27 2HD2 ASN 27 -15.814 11.456 -9.457
236 H LEU 28 HN LEU 28 -19.191 6.401 -6.271
237 HA LEU 28 HA LEU 28 -18.141 3.977 -7.492
238 HB2 LEU 28 2HB LEU 28 -19.102 4.413 -5.030
239 HB3 LEU 28 3HB LEU 28 -20.602 3.983 -5.828
240 HG LEU 28 HG LEU 28 -19.100 1.940 -6.704
241 HD11 LEU 28 1HD1 LEU 28 -17.940 1.527 -4.175
242 HD12 LEU 28 2HD1 LEU 28 -17.112 1.787 -5.729
243 HD13 LEU 28 3HD1 LEU 28 -17.469 3.171 -4.669
244 HD21 LEU 28 3HD2 LEU 28 -20.350 1.994 -3.945
245 HD22 LEU 28 1HD2 LEU 28 -21.254 1.848 -5.471
246 HD23 LEU 28 2HD2 LEU 28 -20.104 0.576 -4.993
247 H GLY 29 HN GLY 29 -20.625 2.597 -7.815
248 HA2 GLY 29 2HA GLY 29 -22.268 4.182 -9.601
249 HA3 GLY 29 1HA GLY 29 -21.276 2.971 -10.389
250 HA PRO 30 HA PRO 30 -24.508 0.135 -9.978
251 HB2 PRO 30 2HB PRO 30 -23.112 -2.267 -10.077
252 HB3 PRO 30 3HB PRO 30 -23.282 -1.146 -11.434
253 HG2 PRO 30 2HG PRO 30 -20.908 -1.367 -9.501
254 HG3 PRO 30 3HG PRO 30 -20.860 -1.329 -11.278
255 HD2 PRO 30 2HD PRO 30 -20.419 0.960 -9.772
256 HD3 PRO 30 3HD PRO 30 -21.281 1.060 -11.335
257 H ALA 31 HN ALA 31 -24.706 1.131 -7.365
258 HA ALA 31 HA ALA 31 -25.793 -0.750 -5.886
259 HB1 ALA 31 1HB ALA 31 -24.114 -2.323 -5.728
260 HB2 ALA 31 2HB ALA 31 -22.816 -1.110 -5.834
261 HB3 ALA 31 3HB ALA 31 -23.709 -1.329 -4.309
262 H TRP 32 HN TRP 32 -23.701 2.034 -6.167
263 HA TRP 32 HA TRP 32 -24.941 3.112 -3.739
264 HB2 TRP 32 2HB TRP 32 -22.328 2.364 -3.773
265 HB3 TRP 32 3HB TRP 32 -22.196 4.024 -4.321
266 HD1 TRP 32 1HD TRP 32 -22.669 5.943 -2.494
267 HE1 TRP 32 1HE TRP 32 -23.003 6.022 0.121
268 HE3 TRP 32 3HE TRP 32 -23.380 0.943 -1.907
269 HZ2 TRP 32 2HZ TRP 32 -23.516 4.030 2.100
270 HZ3 TRP 32 3HZ TRP 32 -23.792 0.091 0.400
271 HH2 TRP 32 2HH TRP 32 -23.866 1.546 2.363
272 H GLY 33 HN GLY 33 -23.263 5.615 -4.302
273 HA2 GLY 33 2HA GLY 33 -23.218 6.861 -6.549
274 HA3 GLY 33 1HA GLY 33 -24.952 6.616 -6.497
275 H GLY 34 HN GLY 34 -22.793 8.973 -6.057
276 HA2 GLY 34 2HA GLY 34 -23.161 11.040 -5.144
277 HA3 GLY 34 1HA GLY 34 -24.486 10.404 -4.189
278 H ARG 35 HN ARG 35 -20.984 10.933 -4.361
279 HA ARG 35 HA ARG 35 -19.375 10.724 -2.919
280 HB2 ARG 35 2HB ARG 35 -19.690 11.893 -0.879
281 HB3 ARG 35 3HB ARG 35 -20.988 12.511 -1.880
282 HG2 ARG 35 2HG ARG 35 -22.581 11.659 -0.499
283 HG3 ARG 35 3HG ARG 35 -21.840 10.071 -0.511
284 HD2 ARG 35 2HD ARG 35 -20.507 10.519 1.379
285 HD3 ARG 35 3HD ARG 35 -20.509 12.250 1.106
286 HE ARG 35 HE ARG 35 -23.188 11.616 1.602
287 HH11 ARG 35 2HH2 ARG 35 -20.152 11.231 3.337
288 HH12 ARG 35 1HH2 ARG 35 -20.887 11.324 4.902
289 HH21 ARG 35 2HH1 ARG 35 -24.159 11.739 3.667
290 HH22 ARG 35 1HH1 ARG 35 -23.182 11.614 5.092
291 H CYS 36 HN CYS 36 -18.922 9.800 -0.374
292 HA CYS 36 HA CYS 36 -20.400 7.384 0.076
293 HB2 CYS 36 3HB CYS 36 -18.327 7.141 -1.686
294 HB3 CYS 36 2HB CYS 36 -17.519 6.808 -0.167
Start of MODEL 4
1 H1 TRP 1 HN TRP 1 21.595 1.519 20.698
2 HA TRP 1 HA TRP 1 21.656 4.228 20.369
3 HB2 TRP 1 2HB TRP 1 24.005 3.734 19.509
4 HB3 TRP 1 3HB TRP 1 23.237 2.988 18.122
5 HD1 TRP 1 1HD TRP 1 22.691 4.633 16.154
6 HE1 TRP 1 1HE TRP 1 22.560 7.237 15.746
7 HE3 TRP 1 3HE TRP 1 23.341 5.959 21.020
8 HZ2 TRP 1 2HZ TRP 1 22.739 9.508 17.465
9 HZ3 TRP 1 3HZ TRP 1 23.350 8.390 21.571
10 HH2 TRP 1 2HH TRP 1 23.063 10.138 19.886
11 H GLU 2 HN GLU 2 19.432 3.289 20.536
12 HA GLU 2 HA GLU 2 18.206 3.253 18.069
13 HB2 GLU 2 2HB GLU 2 17.475 0.922 17.849
14 HB3 GLU 2 3HB GLU 2 19.226 1.000 17.825
15 HG2 GLU 2 2HG GLU 2 19.416 0.181 20.069
16 HG3 GLU 2 3HG GLU 2 17.735 0.521 20.430
17 H TRP 3 HN TRP 3 15.778 2.260 18.404
18 HA TRP 3 HA TRP 3 14.982 2.786 21.174
19 HB2 TRP 3 2HB TRP 3 13.521 3.964 18.813
20 HB3 TRP 3 3HB TRP 3 13.229 4.249 20.518
21 HD1 TRP 3 1HD TRP 3 15.469 5.418 17.659
22 HE1 TRP 3 1HE TRP 3 16.949 7.487 18.357
23 HE3 TRP 3 3HE TRP 3 14.367 5.202 22.619
24 HZ2 TRP 3 2HZ TRP 3 17.483 8.773 20.848
25 HZ3 TRP 3 3HZ TRP 3 15.410 6.902 24.115
26 HH2 TRP 3 2HH TRP 3 16.920 8.643 23.303
27 HA PRO 4 HA PRO 4 12.985 -1.011 20.706
28 HB2 PRO 4 2HB PRO 4 10.922 -0.770 22.557
29 HB3 PRO 4 3HB PRO 4 12.640 -0.851 22.969
30 HG2 PRO 4 2HG PRO 4 10.917 1.674 22.695
31 HG3 PRO 4 3HG PRO 4 11.997 1.238 24.038
32 HD2 PRO 4 2HD PRO 4 12.824 2.951 22.017
33 HD3 PRO 4 3HD PRO 4 13.978 1.803 22.755
34 H TRP 5 HN TRP 5 12.226 -0.903 18.276
35 HA TRP 5 HA TRP 5 9.344 -1.062 18.267
36 HB2 TRP 5 2HB TRP 5 8.901 0.588 16.680
37 HB3 TRP 5 3HB TRP 5 9.902 1.366 17.890
38 HD1 TRP 5 1HD TRP 5 12.522 1.896 17.123
39 HE1 TRP 5 1HE TRP 5 13.651 2.362 14.785
40 HE3 TRP 5 3HE TRP 5 8.749 -0.053 14.325
41 HZ2 TRP 5 2HZ TRP 5 12.857 1.873 12.087
42 HZ3 TRP 5 3HZ TRP 5 9.006 -0.019 11.846
43 HH2 TRP 5 2HH TRP 5 10.972 0.901 10.723
44 H ASN 6 HN ASN 6 11.829 -2.766 17.992
45 HA ASN 6 HA ASN 6 12.512 -4.435 16.789
46 HB2 ASN 6 2HB ASN 6 9.990 -3.920 15.128
47 HB3 ASN 6 3HB ASN 6 11.011 -5.330 14.927
48 HD21 ASN 6 1HD2 ASN 6 8.604 -3.760 16.808
49 HD22 ASN 6 2HD2 ASN 6 8.305 -5.010 17.969
50 H ARG 7 HN ARG 7 14.287 -4.298 15.401
51 HA ARG 7 HA ARG 7 14.411 -2.077 13.633
52 HB2 ARG 7 2HB ARG 7 16.321 -4.301 14.438
53 HB3 ARG 7 3HB ARG 7 16.717 -3.260 13.085
54 HG2 ARG 7 2HG ARG 7 17.140 -1.443 14.428
55 HG3 ARG 7 3HG ARG 7 15.793 -1.785 15.494
56 HD2 ARG 7 2HD ARG 7 18.195 -3.627 15.554
57 HD3 ARG 7 3HD ARG 7 18.309 -2.068 16.347
58 HE ARG 7 HE ARG 7 15.911 -3.047 17.298
59 HH11 ARG 7 2HH2 ARG 7 19.166 -4.377 17.151
60 HH12 ARG 7 1HH2 ARG 7 18.968 -5.353 18.568
61 HH21 ARG 7 2HH1 ARG 7 15.650 -4.335 19.167
62 HH22 ARG 7 1HH1 ARG 7 16.955 -5.329 19.723
63 H LYS 8 HN LYS 8 12.324 -3.378 12.610
64 HA LYS 8 HA LYS 8 13.413 -4.621 10.209
65 HB2 LYS 8 2HB LYS 8 12.352 -6.188 12.219
66 HB3 LYS 8 3HB LYS 8 10.967 -5.935 11.176
67 HG2 LYS 8 2HG LYS 8 11.794 -7.497 9.760
68 HG3 LYS 8 3HG LYS 8 13.139 -6.429 9.411
69 HD2 LYS 8 2HD LYS 8 14.476 -8.028 10.322
70 HD3 LYS 8 3HD LYS 8 13.865 -7.509 11.880
71 HE2 LYS 8 2HE LYS 8 11.861 -9.153 11.378
72 HE3 LYS 8 3HE LYS 8 12.932 -9.842 10.175
73 HZ1 LYS 8 3HZ LYS 8 13.005 -10.768 12.511
74 HZ2 LYS 8 1HZ LYS 8 14.438 -10.457 11.791
75 HZ3 LYS 8 2HZ LYS 8 13.850 -9.432 12.919
76 HA HYP 9 HA HYP 9 10.590 -1.065 9.601
77 HB2 HYP 9 3HB HYP 9 11.849 0.476 8.272
78 HB3 HYP 9 2HB HYP 9 12.398 -0.781 7.158
79 HG HYP 9 2HG HYP 9 14.310 -0.382 8.512
80 HD22 HYP 9 2HD HYP 9 13.747 -2.851 8.357
81 HD23 HYP 9 3HD HYP 9 14.063 -2.607 10.097
82 HD1 HYP 9 1HG HYP 9 14.118 -0.242 10.818
83 H THR 10 HN THR 10 8.645 -1.064 8.598
84 HA THR 10 HA THR 10 8.071 -2.899 6.492
85 HB THR 10 HB THR 10 5.887 -1.423 6.552
86 HG1 THR 10 1HG THR 10 6.114 0.276 7.958
87 HG21 THR 10 3HG2 THR 10 6.051 -3.591 7.805
88 HG22 THR 10 1HG2 THR 10 6.885 -2.746 9.131
89 HG23 THR 10 2HG2 THR 10 5.190 -2.358 8.756
90 H LYS 11 HN LYS 11 8.004 -2.650 4.313
91 HA LYS 11 HA LYS 11 8.313 0.033 3.248
92 HB2 LYS 11 2HB LYS 11 10.611 -1.170 3.702
93 HB3 LYS 11 3HB LYS 11 10.214 -2.069 2.251
94 HG2 LYS 11 2HG LYS 11 9.685 0.329 1.237
95 HG3 LYS 11 3HG LYS 11 10.672 0.911 2.564
96 HD2 LYS 11 2HD LYS 11 12.622 -0.158 1.770
97 HD3 LYS 11 3HD LYS 11 11.723 -1.353 0.855
98 HE2 LYS 11 2HE LYS 11 10.898 1.006 -0.356
99 HE3 LYS 11 3HE LYS 11 12.552 1.393 0.072
100 HZ1 LYS 11 3HZ LYS 11 12.966 0.316 -1.820
101 HZ2 LYS 11 1HZ LYS 11 12.843 -1.039 -0.918
102 HZ3 LYS 11 2HZ LYS 11 11.572 -0.535 -1.811
103 H PHE 12 HN PHE 12 5.946 -0.998 3.086
104 HA PHE 12 HA PHE 12 5.850 -2.145 0.395
105 HB2 PHE 12 2HB PHE 12 3.731 -3.359 1.472
106 HB3 PHE 12 3HB PHE 12 5.321 -4.037 1.757
107 HD1 PHE 12 1HD PHE 12 3.440 -1.204 3.314
108 HD2 PHE 12 2HD PHE 12 5.453 -4.896 3.886
109 HE1 PHE 12 1HE PHE 12 3.074 -1.020 5.791
110 HE2 PHE 12 2HE PHE 12 5.087 -4.712 6.363
111 HZ PHE 12 HZ PHE 12 3.902 -2.776 7.285
112 HA HYP 13 HA HYP 13 2.806 0.676 -0.706
113 HB2 HYP 13 3HB HYP 13 1.415 -0.266 -2.411
114 HB3 HYP 13 2HB HYP 13 0.801 -1.536 -1.347
115 HG HYP 13 2HG HYP 13 2.373 -2.683 -2.711
116 HD22 HYP 13 2HD HYP 13 2.745 -3.130 -0.241
117 HD23 HYP 13 3HD HYP 13 4.389 -2.811 -0.857
118 HD1 HYP 13 1HG HYP 13 4.474 -1.786 -3.106
119 H ILE 14 HN ILE 14 0.490 1.581 -0.598
120 HA ILE 14 HA ILE 14 -0.475 1.672 2.001
121 HB ILE 14 HB ILE 14 -0.892 3.389 0.361
122 HG12 ILE 14 2HG1 ILE 14 -3.458 2.090 1.325
123 HG13 ILE 14 3HG1 ILE 14 -2.435 3.159 2.262
124 HG21 ILE 14 1HG2 ILE 14 -2.734 2.928 -1.374
125 HG22 ILE 14 2HG2 ILE 14 -1.096 2.314 -1.701
126 HG23 ILE 14 3HG2 ILE 14 -2.360 1.209 -1.111
127 HD11 ILE 14 3HD1 ILE 14 -2.862 4.594 -0.114
128 HD12 ILE 14 1HD1 ILE 14 -4.432 3.821 0.214
129 HD13 ILE 14 2HD1 ILE 14 -3.682 4.870 1.442
130 HA HYP 15 HA HYP 15 -2.147 -2.187 2.891
131 HB2 HYP 15 3HB HYP 15 -3.430 -1.903 4.891
132 HB3 HYP 15 2HB HYP 15 -4.453 -0.652 4.174
133 HG HYP 15 2HG HYP 15 -2.971 0.586 5.558
134 HD22 HYP 15 2HD HYP 15 -3.081 1.519 3.201
135 HD23 HYP 15 3HD HYP 15 -1.333 1.498 3.556
136 HD1 HYP 15 1HG HYP 15 -0.692 0.159 5.534
137 H SER 16 HN SER 16 -3.479 -3.760 2.060
138 HA SER 16 HA SER 16 -5.346 -3.045 0.083
139 HB2 SER 16 2HB SER 16 -3.965 -5.350 0.793
140 HB3 SER 16 3HB SER 16 -5.605 -5.752 1.262
141 HG SER 16 HG SER 16 -5.130 -6.322 -0.969
142 HA HYP 17 HA HYP 17 -8.364 -4.736 3.557
143 HB2 HYP 17 3HB HYP 17 -7.749 -5.498 5.740
144 HB3 HYP 17 2HB HYP 17 -6.701 -4.107 6.038
145 HG HYP 17 2HG HYP 17 -5.161 -5.851 5.554
146 HD22 HYP 17 2HD HYP 17 -4.706 -3.767 4.181
147 HD23 HYP 17 3HD HYP 17 -4.591 -5.085 2.983
148 HD1 HYP 17 1HG HYP 17 -5.497 -7.257 3.742
149 H ASN 18 HN ASN 18 -10.073 -3.403 3.771
150 HA ASN 18 HA ASN 18 -10.130 -1.540 5.803
151 HB2 ASN 18 2HB ASN 18 -8.984 -0.469 3.422
152 HB3 ASN 18 3HB ASN 18 -10.631 0.130 3.437
153 HD21 ASN 18 1HD2 ASN 18 -10.310 2.196 3.969
154 HD22 ASN 18 2HD2 ASN 18 -9.614 2.764 5.450
155 HA HYP 19 HA HYP 19 -14.401 -2.140 5.290
156 HB2 HYP 19 3HB HYP 19 -15.575 -0.452 6.514
157 HB3 HYP 19 2HB HYP 19 -14.909 0.861 5.536
158 HG HYP 19 2HG HYP 19 -13.655 0.995 7.550
159 HD22 HYP 19 2HD HYP 19 -12.165 0.968 5.496
160 HD23 HYP 19 3HD HYP 19 -11.371 -0.190 6.596
161 HD1 HYP 19 1HG HYP 19 -12.757 -0.913 8.514
162 H ARG 20 HN ARG 20 -14.726 -2.856 3.160
163 HA ARG 20 HA ARG 20 -16.692 -1.443 1.895
164 HB2 ARG 20 2HB ARG 20 -14.495 -0.118 1.204
165 HB3 ARG 20 3HB ARG 20 -14.235 -1.460 0.107
166 HG2 ARG 20 2HG ARG 20 -15.638 -0.445 -1.358
167 HG3 ARG 20 3HG ARG 20 -16.955 -0.800 -0.257
168 HD2 ARG 20 2HD ARG 20 -16.281 1.381 0.997
169 HD3 ARG 20 3HD ARG 20 -15.291 1.749 -0.401
170 HE ARG 20 HE ARG 20 -17.842 1.074 -1.408
171 HH11 ARG 20 2HH2 ARG 20 -16.449 3.544 0.676
172 HH12 ARG 20 1HH2 ARG 20 -17.628 4.741 0.261
173 HH21 ARG 20 2HH1 ARG 20 -19.398 2.655 -1.958
174 HH22 ARG 20 1HH1 ARG 20 -19.317 4.233 -1.249
175 H ASP 21 HN ASP 21 -16.082 -4.104 2.845
176 HA ASP 21 HA ASP 21 -16.311 -5.522 0.316
177 HB2 ASP 21 2HB ASP 21 -14.165 -6.222 0.950
178 HB3 ASP 21 3HB ASP 21 -14.502 -6.061 2.662
179 H LYS 22 HN LYS 22 -18.237 -6.702 0.298
180 HA LYS 22 HA LYS 22 -20.052 -7.756 0.983
181 HB2 LYS 22 2HB LYS 22 -18.084 -8.465 3.086
182 HB3 LYS 22 3HB LYS 22 -19.765 -8.706 3.515
183 HG2 LYS 22 2HG LYS 22 -20.144 -10.198 1.674
184 HG3 LYS 22 3HG LYS 22 -18.684 -9.691 0.849
185 HD2 LYS 22 2HD LYS 22 -17.590 -11.416 1.831
186 HD3 LYS 22 3HD LYS 22 -17.792 -10.614 3.376
187 HE2 LYS 22 2HE LYS 22 -20.027 -11.724 3.651
188 HE3 LYS 22 3HE LYS 22 -19.803 -12.541 2.116
189 HZ1 LYS 22 3HZ LYS 22 -18.629 -13.114 4.645
190 HZ2 LYS 22 1HZ LYS 22 -18.852 -14.092 3.356
191 HZ3 LYS 22 2HZ LYS 22 -17.543 -13.118 3.426
192 H TRP 23 HN TRP 23 -19.155 -4.819 1.870
193 HA TRP 23 HA TRP 23 -20.729 -4.278 4.151
194 HB2 TRP 23 2HB TRP 23 -19.697 -2.334 4.036
195 HB3 TRP 23 3HB TRP 23 -18.845 -2.934 2.626
196 HD1 TRP 23 1HD TRP 23 -20.157 -2.325 0.158
197 HE1 TRP 23 1HE TRP 23 -21.435 -0.149 -0.617
198 HE3 TRP 23 3HE TRP 23 -21.033 -0.536 4.837
199 HZ2 TRP 23 2HZ TRP 23 -22.640 2.026 0.782
200 HZ3 TRP 23 3HZ TRP 23 -22.266 1.620 5.044
201 HH2 TRP 23 2HH TRP 23 -23.061 2.891 3.113
202 H CYS 24 HN CYS 24 -22.607 -2.529 3.877
203 HA CYS 24 HA CYS 24 -24.131 -2.098 1.786
204 HB2 CYS 24 3HB CYS 24 -25.851 -3.995 1.829
205 HB3 CYS 24 2HB CYS 24 -24.360 -4.232 0.940
206 H ARG 25 HN ARG 25 -23.811 -0.737 4.021
207 HA ARG 25 HA ARG 25 -25.483 -1.452 6.132
208 HB2 ARG 25 2HB ARG 25 -23.481 0.306 5.930
209 HB3 ARG 25 3HB ARG 25 -24.764 1.434 5.538
210 HG2 ARG 25 2HG ARG 25 -25.262 1.642 7.737
211 HG3 ARG 25 3HG ARG 25 -25.665 -0.063 7.811
212 HD2 ARG 25 2HD ARG 25 -23.937 0.216 9.438
213 HD3 ARG 25 3HD ARG 25 -23.132 -0.519 8.066
214 HE ARG 25 HE ARG 25 -21.851 1.417 7.844
215 HH11 ARG 25 2HH2 ARG 25 -24.796 2.217 9.597
216 HH12 ARG 25 1HH2 ARG 25 -24.321 3.854 9.902
217 HH21 ARG 25 2HH1 ARG 25 -21.225 3.577 8.247
218 HH22 ARG 25 1HH1 ARG 25 -22.276 4.633 9.130
219 H LEU 26 HN LEU 26 -25.976 0.196 3.046
220 HA LEU 26 HA LEU 26 -28.782 0.587 3.786
221 HB2 LEU 26 2HB LEU 26 -26.945 2.557 2.436
222 HB3 LEU 26 3HB LEU 26 -28.689 2.653 2.306
223 HG LEU 26 HG LEU 26 -27.882 2.415 5.086
224 HD11 LEU 26 1HD1 LEU 26 -25.887 3.501 4.819
225 HD12 LEU 26 2HD1 LEU 26 -26.434 4.404 3.386
226 HD13 LEU 26 3HD1 LEU 26 -26.978 4.895 5.009
227 HD21 LEU 26 3HD2 LEU 26 -29.086 4.932 4.160
228 HD22 LEU 26 1HD2 LEU 26 -29.972 3.469 3.666
229 HD23 LEU 26 2HD2 LEU 26 -29.639 3.770 5.389
230 H ASN 27 HN ASN 27 -29.788 1.380 1.339
231 HA ASN 27 HA ASN 27 -29.634 -1.079 -0.044
232 HB2 ASN 27 2HB ASN 27 -31.390 1.223 0.064
233 HB3 ASN 27 3HB ASN 27 -30.960 0.962 -1.615
234 HD21 ASN 27 1HD2 ASN 27 -30.949 -1.432 -2.268
235 HD22 ASN 27 2HD2 ASN 27 -32.327 -2.370 -1.798
236 H LEU 28 HN LEU 28 -27.681 -1.397 -1.187
237 HA LEU 28 HA LEU 28 -26.204 0.695 -2.322
238 HB2 LEU 28 2HB LEU 28 -25.716 -1.868 -1.676
239 HB3 LEU 28 3HB LEU 28 -25.945 -2.054 -3.404
240 HG LEU 28 HG LEU 28 -24.226 -0.115 -3.624
241 HD11 LEU 28 1HD1 LEU 28 -22.821 0.394 -1.868
242 HD12 LEU 28 2HD1 LEU 28 -24.389 0.231 -1.041
243 HD13 LEU 28 3HD1 LEU 28 -23.208 -1.098 -0.978
244 HD21 LEU 28 3HD2 LEU 28 -23.359 -2.864 -2.685
245 HD22 LEU 28 1HD2 LEU 28 -23.825 -2.417 -4.344
246 HD23 LEU 28 2HD2 LEU 28 -22.368 -1.707 -3.606
247 H GLY 29 HN GLY 29 -25.618 -0.301 -4.957
248 HA2 GLY 29 2HA GLY 29 -28.106 0.525 -6.319
249 HA3 GLY 29 1HA GLY 29 -26.475 0.816 -6.892
250 HA PRO 30 HA PRO 30 -28.363 -2.650 -9.271
251 HB2 PRO 30 2HB PRO 30 -26.788 -2.279 -11.532
252 HB3 PRO 30 3HB PRO 30 -28.195 -1.292 -11.112
253 HG2 PRO 30 2HG PRO 30 -25.246 -0.639 -10.567
254 HG3 PRO 30 3HG PRO 30 -26.470 0.412 -11.314
255 HD2 PRO 30 2HD PRO 30 -25.842 0.615 -8.618
256 HD3 PRO 30 3HD PRO 30 -27.521 0.870 -9.175
257 H ALA 31 HN ALA 31 -27.081 -4.059 -7.284
258 HA ALA 31 HA ALA 31 -25.891 -6.157 -8.578
259 HB1 ALA 31 1HB ALA 31 -23.488 -5.446 -7.390
260 HB2 ALA 31 2HB ALA 31 -23.852 -5.347 -9.129
261 HB3 ALA 31 3HB ALA 31 -24.048 -3.911 -8.096
262 H TRP 32 HN TRP 32 -26.287 -4.084 -5.734
263 HA TRP 32 HA TRP 32 -26.101 -6.489 -4.052
264 HB2 TRP 32 2HB TRP 32 -24.668 -4.151 -3.816
265 HB3 TRP 32 3HB TRP 32 -25.996 -3.891 -2.702
266 HD1 TRP 32 1HD TRP 32 -26.016 -5.400 -0.464
267 HE1 TRP 32 1HE TRP 32 -24.297 -6.995 0.747
268 HE3 TRP 32 3HE TRP 32 -22.839 -5.836 -4.410
269 HZ2 TRP 32 2HZ TRP 32 -21.857 -8.233 -0.064
270 HZ3 TRP 32 3HZ TRP 32 -20.811 -7.256 -4.117
271 HH2 TRP 32 2HH TRP 32 -20.297 -8.432 -2.037
272 H GLY 33 HN GLY 33 -27.393 -4.833 -1.853
273 HA2 GLY 33 2HA GLY 33 -29.863 -3.809 -2.604
274 HA3 GLY 33 1HA GLY 33 -30.085 -5.535 -2.396
275 H GLY 34 HN GLY 34 -30.440 -2.680 -0.806
276 HA2 GLY 34 2HA GLY 34 -29.253 -2.620 1.583
277 HA3 GLY 34 1HA GLY 34 -30.967 -2.314 1.375
278 H ARG 35 HN ARG 35 -31.520 -5.141 0.452
279 HA ARG 35 HA ARG 35 -32.118 -6.170 2.950
280 HB2 ARG 35 2HB ARG 35 -33.157 -6.649 0.575
281 HB3 ARG 35 3HB ARG 35 -31.911 -7.874 0.436
282 HG2 ARG 35 2HG ARG 35 -33.448 -9.227 1.465
283 HG3 ARG 35 3HG ARG 35 -32.869 -8.469 2.934
284 HD2 ARG 35 2HD ARG 35 -34.672 -6.656 2.562
285 HD3 ARG 35 3HD ARG 35 -35.328 -7.689 1.307
286 HE ARG 35 HE ARG 35 -35.579 -8.091 4.168
287 HH11 ARG 35 2HH2 ARG 35 -35.339 -9.816 1.110
288 HH12 ARG 35 1HH2 ARG 35 -36.168 -11.222 1.691
289 HH21 ARG 35 2HH1 ARG 35 -36.672 -9.945 4.935
290 HH22 ARG 35 1HH1 ARG 35 -36.931 -11.295 3.882
291 H CYS 36 HN CYS 36 -29.910 -6.057 3.976
292 HA CYS 36 HA CYS 36 -28.233 -8.305 3.130
293 HB2 CYS 36 3HB CYS 36 -27.609 -5.569 3.818
294 HB3 CYS 36 2HB CYS 36 -26.786 -6.667 4.907
Start of MODEL 5
1 H1 TRP 1 HN TRP 1 25.737 6.625 -23.936
2 HA TRP 1 HA TRP 1 23.373 7.801 -23.753
3 HB2 TRP 1 2HB TRP 1 24.100 6.381 -25.609
4 HB3 TRP 1 3HB TRP 1 23.819 4.945 -24.643
5 HD1 TRP 1 1HD TRP 1 21.518 8.016 -25.473
6 HE1 TRP 1 1HE TRP 1 19.133 7.188 -26.245
7 HE3 TRP 1 3HE TRP 1 22.540 3.049 -25.096
8 HZ2 TRP 1 2HZ TRP 1 17.969 4.608 -26.603
9 HZ3 TRP 1 3HZ TRP 1 20.725 1.442 -25.676
10 HH2 TRP 1 2HH TRP 1 18.503 2.150 -26.408
11 H GLU 2 HN GLU 2 23.926 4.434 -22.469
12 HA GLU 2 HA GLU 2 21.536 4.589 -20.961
13 HB2 GLU 2 2HB GLU 2 22.167 2.343 -20.165
14 HB3 GLU 2 3HB GLU 2 22.362 2.456 -21.903
15 HG2 GLU 2 2HG GLU 2 24.614 2.111 -21.785
16 HG3 GLU 2 3HG GLU 2 24.810 3.270 -20.485
17 H TRP 3 HN TRP 3 22.567 6.790 -20.039
18 HA TRP 3 HA TRP 3 24.416 6.355 -17.879
19 HB2 TRP 3 2HB TRP 3 22.889 8.799 -18.789
20 HB3 TRP 3 3HB TRP 3 24.053 8.782 -17.479
21 HD1 TRP 3 1HD TRP 3 23.890 9.201 -21.193
22 HE1 TRP 3 1HE TRP 3 26.273 9.365 -22.315
23 HE3 TRP 3 3HE TRP 3 26.497 7.652 -17.111
24 HZ2 TRP 3 2HZ TRP 3 28.922 8.841 -21.390
25 HZ3 TRP 3 3HZ TRP 3 28.978 7.505 -17.305
26 HH2 TRP 3 2HH TRP 3 30.190 8.069 -19.352
27 HA PRO 4 HA PRO 4 21.555 5.173 -14.875
28 HB2 PRO 4 2HB PRO 4 22.778 6.101 -12.555
29 HB3 PRO 4 3HB PRO 4 23.415 4.808 -13.581
30 HG2 PRO 4 2HG PRO 4 24.223 7.770 -13.616
31 HG3 PRO 4 3HG PRO 4 25.295 6.354 -13.548
32 HD2 PRO 4 2HD PRO 4 24.750 7.640 -15.947
33 HD3 PRO 4 3HD PRO 4 24.956 5.866 -15.901
34 H TRP 5 HN TRP 5 19.465 6.452 -15.522
35 HA TRP 5 HA TRP 5 19.042 8.563 -13.525
36 HB2 TRP 5 2HB TRP 5 17.551 9.639 -15.279
37 HB3 TRP 5 3HB TRP 5 19.284 9.830 -15.448
38 HD1 TRP 5 1HD TRP 5 17.656 6.543 -16.615
39 HE1 TRP 5 1HE TRP 5 17.793 6.282 -19.238
40 HE3 TRP 5 3HE TRP 5 19.411 11.229 -17.516
41 HZ2 TRP 5 2HZ TRP 5 18.600 8.026 -21.347
42 HZ3 TRP 5 3HZ TRP 5 19.847 11.871 -19.885
43 HH2 TRP 5 2HH TRP 5 19.470 10.356 -21.766
44 H ASN 6 HN ASN 6 16.437 8.091 -15.685
45 HA ASN 6 HA ASN 6 14.493 7.149 -15.511
46 HB2 ASN 6 2HB ASN 6 16.372 5.019 -15.049
47 HB3 ASN 6 3HB ASN 6 15.047 4.763 -13.929
48 HD21 ASN 6 1HD2 ASN 6 15.617 3.036 -16.005
49 HD22 ASN 6 2HD2 ASN 6 14.338 3.051 -17.173
50 H ARG 7 HN ARG 7 13.123 8.251 -14.090
51 HA ARG 7 HA ARG 7 13.570 7.745 -11.257
52 HB2 ARG 7 2HB ARG 7 12.563 10.212 -12.733
53 HB3 ARG 7 3HB ARG 7 12.228 9.994 -11.028
54 HG2 ARG 7 2HG ARG 7 14.470 10.227 -10.403
55 HG3 ARG 7 3HG ARG 7 15.076 9.613 -11.930
56 HD2 ARG 7 2HD ARG 7 14.855 11.682 -13.017
57 HD3 ARG 7 3HD ARG 7 13.546 12.213 -11.980
58 HE ARG 7 HE ARG 7 15.114 12.959 -10.374
59 HH11 ARG 7 2HH2 ARG 7 16.726 11.132 -12.913
60 HH12 ARG 7 1HH2 ARG 7 18.317 11.610 -12.423
61 HH21 ARG 7 2HH1 ARG 7 17.214 13.591 -9.727
62 HH22 ARG 7 1HH1 ARG 7 18.596 13.018 -10.599
63 H LYS 8 HN LYS 8 12.184 5.737 -11.943
64 HA LYS 8 HA LYS 8 9.357 6.497 -11.713
65 HB2 LYS 8 2HB LYS 8 10.574 5.231 -13.908
66 HB3 LYS 8 3HB LYS 8 9.751 3.948 -13.044
67 HG2 LYS 8 2HG LYS 8 7.866 5.989 -12.954
68 HG3 LYS 8 3HG LYS 8 8.615 6.266 -14.514
69 HD2 LYS 8 2HD LYS 8 8.169 3.942 -15.200
70 HD3 LYS 8 3HD LYS 8 7.564 3.547 -13.603
71 HE2 LYS 8 2HE LYS 8 5.598 3.935 -14.893
72 HE3 LYS 8 3HE LYS 8 5.798 5.407 -13.963
73 HZ1 LYS 8 3HZ LYS 8 6.349 4.964 -16.789
74 HZ2 LYS 8 1HZ LYS 8 5.488 6.160 -16.085
75 HZ3 LYS 8 2HZ LYS 8 7.118 6.168 -15.999
76 HA HYP 9 HA HYP 9 10.823 4.254 -8.022
77 HB2 HYP 9 3HB HYP 9 10.102 5.612 -6.189
78 HB3 HYP 9 2HB HYP 9 8.474 5.811 -6.848
79 HG HYP 9 2HG HYP 9 9.510 7.897 -7.321
80 HD22 HYP 9 2HD HYP 9 8.394 6.897 -9.369
81 HD23 HYP 9 3HD HYP 9 9.980 7.436 -9.984
82 HD1 HYP 9 1HG HYP 9 11.639 7.982 -8.233
83 H THR 10 HN THR 10 9.879 2.717 -6.441
84 HA THR 10 HA THR 10 7.497 1.409 -7.495
85 HB THR 10 HB THR 10 9.185 0.535 -5.118
86 HG1 THR 10 1HG THR 10 10.799 0.089 -6.599
87 HG21 THR 10 3HG2 THR 10 7.467 -1.062 -5.510
88 HG22 THR 10 1HG2 THR 10 7.487 -0.781 -7.268
89 HG23 THR 10 2HG2 THR 10 8.807 -1.693 -6.497
90 H LYS 11 HN LYS 11 6.128 0.395 -5.497
91 HA LYS 11 HA LYS 11 5.630 2.534 -3.582
92 HB2 LYS 11 2HB LYS 11 4.172 2.630 -5.792
93 HB3 LYS 11 3HB LYS 11 3.266 1.356 -5.000
94 HG2 LYS 11 2HG LYS 11 2.454 2.758 -3.355
95 HG3 LYS 11 3HG LYS 11 3.945 3.673 -3.248
96 HD2 LYS 11 2HD LYS 11 3.329 5.159 -4.928
97 HD3 LYS 11 3HD LYS 11 2.398 3.960 -5.804
98 HE2 LYS 11 2HE LYS 11 0.601 5.111 -4.949
99 HE3 LYS 11 3HE LYS 11 0.884 4.112 -3.537
100 HZ1 LYS 11 3HZ LYS 11 1.804 5.828 -2.425
101 HZ2 LYS 11 1HZ LYS 11 2.405 6.566 -3.753
102 HZ3 LYS 11 2HZ LYS 11 0.816 6.698 -3.393
103 H PHE 12 HN PHE 12 6.821 0.853 -2.298
104 HA PHE 12 HA PHE 12 6.094 -1.708 -1.923
105 HB2 PHE 12 2HB PHE 12 6.698 -1.036 0.604
106 HB3 PHE 12 3HB PHE 12 7.927 -0.891 -0.639
107 HD1 PHE 12 2HD PHE 12 5.234 1.118 0.984
108 HD2 PHE 12 1HD PHE 12 9.053 1.118 -0.866
109 HE1 PHE 12 2HE PHE 12 5.500 3.553 1.534
110 HE2 PHE 12 1HE PHE 12 9.319 3.552 -0.316
111 HZ PHE 12 HZ PHE 12 7.539 4.741 0.877
112 HA HYP 13 HA HYP 13 2.247 -2.321 -0.127
113 HB2 HYP 13 3HB HYP 13 2.304 -4.257 1.277
114 HB3 HYP 13 2HB HYP 13 3.470 -3.536 2.392
115 HG HYP 13 2HG HYP 13 4.796 -5.046 1.123
116 HD22 HYP 13 2HD HYP 13 5.815 -2.725 1.215
117 HD23 HYP 13 3HD HYP 13 5.964 -3.174 -0.505
118 HD1 HYP 13 1HG HYP 13 4.612 -5.129 -1.186
119 H ILE 14 HN ILE 14 0.680 -1.088 0.768
120 HA ILE 14 HA ILE 14 1.015 -0.270 3.524
121 HB ILE 14 HB ILE 14 0.116 1.843 1.615
122 HG12 ILE 14 2HG1 ILE 14 3.024 1.296 2.278
123 HG13 ILE 14 3HG1 ILE 14 2.275 1.031 0.716
124 HG21 ILE 14 1HG2 ILE 14 1.082 1.655 4.433
125 HG22 ILE 14 2HG2 ILE 14 1.409 3.149 3.523
126 HG23 ILE 14 3HG2 ILE 14 -0.265 2.587 3.738
127 HD11 ILE 14 3HD1 ILE 14 1.549 3.540 0.855
128 HD12 ILE 14 1HD1 ILE 14 2.769 3.661 2.145
129 HD13 ILE 14 2HD1 ILE 14 3.256 3.177 0.503
130 HA HYP 15 HA HYP 15 -2.892 -2.006 3.906
131 HB2 HYP 15 3HB HYP 15 -3.701 -1.367 6.065
132 HB3 HYP 15 2HB HYP 15 -3.554 0.359 5.718
133 HG HYP 15 2HG HYP 15 -1.679 -0.075 7.113
134 HD22 HYP 15 2HD HYP 15 -1.028 1.161 4.996
135 HD23 HYP 15 3HD HYP 15 0.210 -0.116 5.125
136 HD1 HYP 15 1HG HYP 15 -0.323 -1.917 6.734
137 H SER 16 HN SER 16 -5.327 -1.623 3.818
138 HA SER 16 HA SER 16 -6.488 0.741 3.323
139 HB2 SER 16 2HB SER 16 -5.934 1.385 1.231
140 HB3 SER 16 3HB SER 16 -4.984 -0.068 0.996
141 HG SER 16 HG SER 16 -7.718 0.440 0.314
142 HA HYP 17 HA HYP 17 -9.042 -2.966 1.382
143 HB2 HYP 17 3HB HYP 17 -8.173 -5.070 0.645
144 HB3 HYP 17 2HB HYP 17 -7.205 -5.293 2.107
145 HG HYP 17 2HG HYP 17 -5.595 -4.640 0.485
146 HD22 HYP 17 2HD HYP 17 -5.422 -3.265 2.611
147 HD23 HYP 17 3HD HYP 17 -5.324 -2.041 1.317
148 HD1 HYP 17 1HG HYP 17 -5.996 -2.843 -0.924
149 H ASN 18 HN ASN 18 -10.738 -2.982 2.764
150 HA ASN 18 HA ASN 18 -10.459 -4.834 4.995
151 HB2 ASN 18 2HB ASN 18 -12.400 -3.296 5.999
152 HB3 ASN 18 3HB ASN 18 -10.722 -2.834 6.200
153 HD21 ASN 18 1HD2 ASN 18 -11.151 -0.672 6.351
154 HD22 ASN 18 2HD2 ASN 18 -11.647 0.315 5.017
155 HA HYP 19 HA HYP 19 -13.612 -6.261 2.019
156 HB2 HYP 19 3HB HYP 19 -13.038 -8.548 1.610
157 HB3 HYP 19 2HB HYP 19 -12.897 -8.923 3.331
158 HG HYP 19 2HG HYP 19 -10.634 -8.762 2.624
159 HD22 HYP 19 2HD HYP 19 -11.091 -7.362 4.690
160 HD23 HYP 19 3HD HYP 19 -10.144 -6.265 3.650
161 HD1 HYP 19 1HG HYP 19 -9.932 -6.995 1.297
162 H ARG 20 HN ARG 20 -13.985 -5.723 5.194
163 HA ARG 20 HA ARG 20 -16.537 -7.112 5.244
164 HB2 ARG 20 2HB ARG 20 -16.356 -5.917 7.715
165 HB3 ARG 20 3HB ARG 20 -15.784 -7.538 7.376
166 HG2 ARG 20 2HG ARG 20 -13.510 -6.627 6.855
167 HG3 ARG 20 3HG ARG 20 -14.082 -5.007 7.198
168 HD2 ARG 20 2HD ARG 20 -13.654 -5.316 9.405
169 HD3 ARG 20 3HD ARG 20 -14.813 -6.630 9.452
170 HE ARG 20 HE ARG 20 -12.606 -7.842 8.337
171 HH11 ARG 20 2HH2 ARG 20 -13.056 -5.886 11.227
172 HH12 ARG 20 1HH2 ARG 20 -11.772 -6.651 12.100
173 HH21 ARG 20 2HH1 ARG 20 -10.911 -8.852 9.488
174 HH22 ARG 20 1HH1 ARG 20 -10.543 -8.350 11.105
175 H ASP 21 HN ASP 21 -15.854 -4.713 3.569
176 HA ASP 21 HA ASP 21 -17.250 -2.596 4.932
177 HB2 ASP 21 2HB ASP 21 -16.635 -1.241 2.952
178 HB3 ASP 21 3HB ASP 21 -15.229 -2.044 3.624
179 H LYS 22 HN LYS 22 -19.496 -3.007 4.894
180 HA LYS 22 HA LYS 22 -21.532 -3.325 4.105
181 HB2 LYS 22 2HB LYS 22 -20.169 -1.795 2.070
182 HB3 LYS 22 3HB LYS 22 -21.347 -2.853 1.320
183 HG2 LYS 22 2HG LYS 22 -23.144 -1.980 2.710
184 HG3 LYS 22 3HG LYS 22 -22.016 -1.121 3.740
185 HD2 LYS 22 2HD LYS 22 -21.868 0.651 2.304
186 HD3 LYS 22 3HD LYS 22 -21.707 -0.384 0.899
187 HE2 LYS 22 2HE LYS 22 -24.252 -0.861 1.160
188 HE3 LYS 22 3HE LYS 22 -24.279 0.486 2.278
189 HZ1 LYS 22 3HZ LYS 22 -23.548 1.925 0.593
190 HZ2 LYS 22 1HZ LYS 22 -23.187 0.709 -0.435
191 HZ3 LYS 22 2HZ LYS 22 -24.745 1.040 -0.075
192 H TRP 23 HN TRP 23 -19.194 -5.417 3.851
193 HA TRP 23 HA TRP 23 -19.674 -7.092 1.723
194 HB2 TRP 23 2HB TRP 23 -18.057 -8.219 2.705
195 HB3 TRP 23 3HB TRP 23 -18.139 -7.111 4.059
196 HD1 TRP 23 1HD TRP 23 -20.233 -7.959 5.957
197 HE1 TRP 23 1HE TRP 23 -20.633 -10.356 6.986
198 HE3 TRP 23 3HE TRP 23 -17.754 -10.508 2.323
199 HZ2 TRP 23 2HZ TRP 23 -19.884 -12.989 6.184
200 HZ3 TRP 23 3HZ TRP 23 -17.634 -12.990 2.521
201 HH2 TRP 23 2HH TRP 23 -18.648 -14.230 4.369
202 H CYS 24 HN CYS 24 -20.572 -9.552 2.458
203 HA CYS 24 HA CYS 24 -22.331 -10.788 2.919
204 HB2 CYS 24 3HB CYS 24 -22.786 -10.396 5.065
205 HB3 CYS 24 2HB CYS 24 -22.601 -8.661 4.898
206 H ARG 25 HN ARG 25 -23.227 -10.953 0.853
207 HA ARG 25 HA ARG 25 -25.034 -8.792 0.120
208 HB2 ARG 25 2HB ARG 25 -22.897 -9.636 -1.334
209 HB3 ARG 25 3HB ARG 25 -24.080 -10.781 -1.933
210 HG2 ARG 25 2HG ARG 25 -25.480 -8.352 -1.977
211 HG3 ARG 25 3HG ARG 25 -23.857 -7.878 -2.438
212 HD2 ARG 25 2HD ARG 25 -24.089 -10.093 -3.999
213 HD3 ARG 25 3HD ARG 25 -25.789 -9.688 -3.868
214 HE ARG 25 HE ARG 25 -24.250 -7.322 -4.484
215 HH11 ARG 25 2HH2 ARG 25 -25.509 -10.265 -5.943
216 HH12 ARG 25 1HH2 ARG 25 -25.576 -9.596 -7.540
217 HH21 ARG 25 2HH1 ARG 25 -24.339 -6.439 -6.590
218 HH22 ARG 25 1HH1 ARG 25 -24.907 -7.406 -7.911
219 H LEU 26 HN LEU 26 -24.689 -12.146 0.975
220 HA LEU 26 HA LEU 26 -27.489 -12.589 0.227
221 HB2 LEU 26 2HB LEU 26 -26.553 -15.080 0.062
222 HB3 LEU 26 3HB LEU 26 -26.688 -13.997 -1.308
223 HG LEU 26 HG LEU 26 -24.297 -13.387 -1.048
224 HD11 LEU 26 1HD1 LEU 26 -24.311 -14.009 1.452
225 HD12 LEU 26 2HD1 LEU 26 -23.999 -15.670 0.892
226 HD13 LEU 26 3HD1 LEU 26 -22.854 -14.367 0.496
227 HD21 LEU 26 3HD2 LEU 26 -24.752 -16.371 -1.317
228 HD22 LEU 26 1HD2 LEU 26 -25.035 -15.167 -2.597
229 HD23 LEU 26 2HD2 LEU 26 -23.389 -15.430 -1.971
230 H ASN 27 HN ASN 27 -27.896 -15.030 1.468
231 HA ASN 27 HA ASN 27 -28.183 -14.224 4.094
232 HB2 ASN 27 2HB ASN 27 -29.283 -16.193 2.595
233 HB3 ASN 27 3HB ASN 27 -28.077 -17.168 3.411
234 HD21 ASN 27 1HD2 ASN 27 -30.236 -18.107 4.098
235 HD22 ASN 27 2HD2 ASN 27 -30.910 -17.544 5.591
236 H LEU 28 HN LEU 28 -26.679 -14.250 5.779
237 HA LEU 28 HA LEU 28 -24.168 -15.640 5.294
238 HB2 LEU 28 2HB LEU 28 -24.661 -13.142 6.151
239 HB3 LEU 28 3HB LEU 28 -24.594 -13.958 7.700
240 HG LEU 28 HG LEU 28 -22.340 -14.953 6.586
241 HD11 LEU 28 1HD1 LEU 28 -21.737 -12.280 5.694
242 HD12 LEU 28 2HD1 LEU 28 -21.552 -13.832 4.842
243 HD13 LEU 28 3HD1 LEU 28 -23.096 -12.949 4.760
244 HD21 LEU 28 3HD2 LEU 28 -21.114 -13.409 7.955
245 HD22 LEU 28 1HD2 LEU 28 -22.470 -12.257 7.960
246 HD23 LEU 28 2HD2 LEU 28 -22.631 -13.824 8.788
247 H GLY 29 HN GLY 29 -23.400 -16.014 8.025
248 HA2 GLY 29 2HA GLY 29 -25.424 -17.676 9.269
249 HA3 GLY 29 1HA GLY 29 -24.073 -18.550 8.575
250 HA PRO 30 HA PRO 30 -22.016 -18.263 12.361
251 HB2 PRO 30 2HB PRO 30 -19.373 -18.544 11.541
252 HB3 PRO 30 3HB PRO 30 -20.595 -19.822 11.460
253 HG2 PRO 30 2HG PRO 30 -19.716 -17.951 9.190
254 HG3 PRO 30 3HG PRO 30 -19.862 -19.722 9.142
255 HD2 PRO 30 2HD PRO 30 -21.886 -18.078 8.191
256 HD3 PRO 30 3HD PRO 30 -22.283 -19.614 9.014
257 H ALA 31 HN ALA 31 -22.851 -15.582 12.311
258 HA ALA 31 HA ALA 31 -21.176 -14.208 13.795
259 HB1 ALA 31 1HB ALA 31 -20.121 -14.260 10.993
260 HB2 ALA 31 2HB ALA 31 -20.023 -12.722 11.883
261 HB3 ALA 31 3HB ALA 31 -19.246 -14.182 12.540
262 H TRP 32 HN TRP 32 -23.407 -14.347 11.111
263 HA TRP 32 HA TRP 32 -24.618 -11.870 12.091
264 HB2 TRP 32 2HB TRP 32 -23.177 -11.854 9.787
265 HB3 TRP 32 3HB TRP 32 -24.760 -12.290 9.172
266 HD1 TRP 32 1HD TRP 32 -26.636 -10.361 9.191
267 HE1 TRP 32 1HE TRP 32 -26.671 -7.760 9.633
268 HE3 TRP 32 3HE TRP 32 -22.013 -10.126 11.295
269 HZ2 TRP 32 2HZ TRP 32 -24.804 -5.937 10.787
270 HZ3 TRP 32 3HZ TRP 32 -21.194 -7.897 12.053
271 HH2 TRP 32 2HH TRP 32 -22.508 -5.848 11.827
272 H GLY 33 HN GLY 33 -26.584 -12.204 9.760
273 HA2 GLY 33 2HA GLY 33 -27.933 -14.258 9.187
274 HA3 GLY 33 1HA GLY 33 -28.068 -14.480 10.920
275 H GLY 34 HN GLY 34 -29.885 -13.553 8.425
276 HA2 GLY 34 2HA GLY 34 -32.045 -12.648 8.883
277 HA3 GLY 34 1HA GLY 34 -31.321 -11.519 10.011
278 H ARG 35 HN ARG 35 -31.437 -9.465 9.224
279 HA ARG 35 HA ARG 35 -31.754 -8.953 6.516
280 HB2 ARG 35 2HB ARG 35 -31.192 -6.520 7.298
281 HB3 ARG 35 3HB ARG 35 -32.605 -7.293 7.987
282 HG2 ARG 35 2HG ARG 35 -30.107 -7.858 9.486
283 HG3 ARG 35 3HG ARG 35 -30.522 -6.155 9.443
284 HD2 ARG 35 2HD ARG 35 -32.964 -7.580 9.945
285 HD3 ARG 35 3HD ARG 35 -31.750 -8.280 10.998
286 HE ARG 35 HE ARG 35 -31.839 -6.329 12.264
287 HH11 ARG 35 2HH2 ARG 35 -32.785 -5.550 8.965
288 HH12 ARG 35 1HH2 ARG 35 -33.117 -3.886 9.318
289 HH21 ARG 35 2HH1 ARG 35 -32.277 -4.136 12.730
290 HH22 ARG 35 1HH1 ARG 35 -32.826 -3.076 11.474
291 H CYS 36 HN CYS 36 -29.975 -9.967 5.377
292 HA CYS 36 HA CYS 36 -27.325 -8.967 6.019
293 HB2 CYS 36 3HB CYS 36 -28.086 -11.463 5.470
294 HB3 CYS 36 2HB CYS 36 -27.800 -10.929 3.824
Start of MODEL 6
1 H1 TRP 1 HN TRP 1 13.365 -18.594 -11.251
2 HA TRP 1 HA TRP 1 13.939 -16.203 -10.340
3 HB2 TRP 1 2HB TRP 1 11.459 -15.892 -11.714
4 HB3 TRP 1 3HB TRP 1 11.163 -15.659 -10.003
5 HD1 TRP 1 1HD TRP 1 14.457 -14.537 -11.725
6 HE1 TRP 1 1HE TRP 1 14.752 -11.919 -11.574
7 HE3 TRP 1 3HE TRP 1 9.892 -13.614 -9.683
8 HZ2 TRP 1 2HZ TRP 1 13.080 -9.803 -10.639
9 HZ3 TRP 1 3HZ TRP 1 9.302 -11.245 -9.182
10 HH2 TRP 1 2HH TRP 1 10.811 -9.374 -9.627
11 H GLU 2 HN GLU 2 10.781 -17.952 -9.859
12 HA GLU 2 HA GLU 2 11.767 -19.568 -7.829
13 HB2 GLU 2 2HB GLU 2 10.700 -18.524 -5.851
14 HB3 GLU 2 3HB GLU 2 11.943 -17.489 -6.524
15 HG2 GLU 2 2HG GLU 2 10.032 -16.346 -7.871
16 HG3 GLU 2 3HG GLU 2 8.926 -17.199 -6.812
17 H TRP 3 HN TRP 3 10.488 -21.318 -8.224
18 HA TRP 3 HA TRP 3 8.006 -21.115 -9.507
19 HB2 TRP 3 2HB TRP 3 9.742 -23.210 -8.446
20 HB3 TRP 3 3HB TRP 3 8.042 -23.589 -8.267
21 HD1 TRP 3 1HD TRP 3 8.026 -25.443 -10.215
22 HE1 TRP 3 1HE TRP 3 8.157 -25.420 -12.851
23 HE3 TRP 3 3HE TRP 3 9.590 -20.622 -10.619
24 HZ2 TRP 3 2HZ TRP 3 8.883 -23.432 -14.765
25 HZ3 TRP 3 3HZ TRP 3 9.987 -19.717 -12.908
26 HH2 TRP 3 2HH TRP 3 9.658 -21.039 -14.937
27 HA PRO 4 HA PRO 4 5.128 -20.123 -6.482
28 HB2 PRO 4 2HB PRO 4 2.998 -21.851 -6.943
29 HB3 PRO 4 3HB PRO 4 3.532 -20.590 -8.062
30 HG2 PRO 4 2HG PRO 4 4.253 -23.572 -8.150
31 HG3 PRO 4 3HG PRO 4 3.651 -22.562 -9.483
32 HD2 PRO 4 2HD PRO 4 6.360 -23.075 -9.168
33 HD3 PRO 4 3HD PRO 4 5.806 -21.484 -9.768
34 H TRP 5 HN TRP 5 4.082 -23.604 -5.815
35 HA TRP 5 HA TRP 5 4.220 -24.756 -3.927
36 HB2 TRP 5 2HB TRP 5 6.725 -23.248 -3.913
37 HB3 TRP 5 3HB TRP 5 6.163 -23.652 -2.303
38 HD1 TRP 5 1HD TRP 5 6.578 -25.651 -5.653
39 HE1 TRP 5 1HE TRP 5 7.548 -28.057 -5.169
40 HE3 TRP 5 3HE TRP 5 6.765 -25.132 -0.599
41 HZ2 TRP 5 2HZ TRP 5 8.267 -29.443 -2.781
42 HZ3 TRP 5 3HZ TRP 5 7.614 -27.059 0.736
43 HH2 TRP 5 2HH TRP 5 8.350 -29.159 -0.277
44 H ASN 6 HN ASN 6 2.166 -24.152 -3.160
45 HA ASN 6 HA ASN 6 0.683 -23.200 -1.897
46 HB2 ASN 6 2HB ASN 6 3.140 -23.156 -0.311
47 HB3 ASN 6 3HB ASN 6 2.158 -21.763 0.098
48 HD21 ASN 6 1HD2 ASN 6 0.471 -21.989 1.388
49 HD22 ASN 6 2HD2 ASN 6 -0.212 -23.482 1.939
50 H ARG 7 HN ARG 7 0.019 -20.894 -0.828
51 HA ARG 7 HA ARG 7 1.282 -18.807 -2.410
52 HB2 ARG 7 2HB ARG 7 -1.549 -19.695 -2.391
53 HB3 ARG 7 3HB ARG 7 -1.378 -17.971 -2.128
54 HG2 ARG 7 2HG ARG 7 -0.145 -17.681 -4.198
55 HG3 ARG 7 3HG ARG 7 0.061 -19.410 -4.397
56 HD2 ARG 7 2HD ARG 7 -2.492 -19.605 -4.550
57 HD3 ARG 7 3HD ARG 7 -2.562 -17.855 -4.574
58 HE ARG 7 HE ARG 7 -0.748 -18.409 -6.578
59 HH11 ARG 7 2HH2 ARG 7 -4.000 -19.559 -5.886
60 HH12 ARG 7 1HH2 ARG 7 -4.393 -19.837 -7.550
61 HH21 ARG 7 2HH1 ARG 7 -1.266 -18.775 -8.773
62 HH22 ARG 7 1HH1 ARG 7 -2.827 -19.388 -9.203
63 H LYS 8 HN LYS 8 2.476 -18.244 -0.440
64 HA LYS 8 HA LYS 8 0.971 -17.586 1.916
65 HB2 LYS 8 2HB LYS 8 3.740 -18.084 1.202
66 HB3 LYS 8 3HB LYS 8 3.601 -16.622 2.160
67 HG2 LYS 8 2HG LYS 8 1.894 -18.249 3.555
68 HG3 LYS 8 3HG LYS 8 2.993 -19.455 2.917
69 HD2 LYS 8 2HD LYS 8 4.141 -16.961 4.188
70 HD3 LYS 8 3HD LYS 8 3.516 -18.228 5.226
71 HE2 LYS 8 2HE LYS 8 5.656 -19.058 5.022
72 HE3 LYS 8 3HE LYS 8 5.010 -19.768 3.554
73 HZ1 LYS 8 3HZ LYS 8 7.122 -18.364 3.441
74 HZ2 LYS 8 1HZ LYS 8 5.997 -18.166 2.274
75 HZ3 LYS 8 2HZ LYS 8 6.122 -17.074 3.481
76 HA HYP 9 HA HYP 9 -0.043 -13.472 1.410
77 HB2 HYP 9 3HB HYP 9 -0.158 -12.424 3.558
78 HB3 HYP 9 2HB HYP 9 1.553 -12.709 3.898
79 HG HYP 9 2HG HYP 9 0.457 -14.358 5.211
80 HD22 HYP 9 2HD HYP 9 2.311 -15.346 3.788
81 HD23 HYP 9 3HD HYP 9 0.958 -16.486 3.554
82 HD1 HYP 9 1HG HYP 9 -1.244 -15.651 4.310
83 H THR 10 HN THR 10 0.600 -11.077 1.274
84 HA THR 10 HA THR 10 3.458 -10.605 1.092
85 HB THR 10 HB THR 10 1.629 -9.910 -1.253
86 HG1 THR 10 1HG THR 10 1.892 -12.042 -1.781
87 HG21 THR 10 3HG2 THR 10 4.512 -9.634 -0.588
88 HG22 THR 10 1HG2 THR 10 4.216 -10.440 -2.147
89 HG23 THR 10 2HG2 THR 10 3.562 -8.812 -1.850
90 H LYS 11 HN LYS 11 3.633 -8.087 0.284
91 HA LYS 11 HA LYS 11 1.766 -6.692 2.073
92 HB2 LYS 11 2HB LYS 11 4.437 -6.923 2.443
93 HB3 LYS 11 3HB LYS 11 4.407 -5.479 1.449
94 HG2 LYS 11 2HG LYS 11 2.283 -5.270 3.403
95 HG3 LYS 11 3HG LYS 11 3.751 -5.732 4.243
96 HD2 LYS 11 2HD LYS 11 4.208 -3.632 2.207
97 HD3 LYS 11 3HD LYS 11 3.074 -3.138 3.449
98 HE2 LYS 11 2HE LYS 11 4.670 -3.529 5.215
99 HE3 LYS 11 3HE LYS 11 5.733 -4.441 4.162
100 HZ1 LYS 11 3HZ LYS 11 6.750 -2.524 3.840
101 HZ2 LYS 11 1HZ LYS 11 5.478 -2.044 2.936
102 HZ3 LYS 11 2HZ LYS 11 5.554 -1.642 4.517
103 H PHE 12 HN PHE 12 0.665 -4.910 1.301
104 HA PHE 12 HA PHE 12 1.235 -4.228 -1.498
105 HB2 PHE 12 2HB PHE 12 -1.374 -3.587 -1.229
106 HB3 PHE 12 3HB PHE 12 -0.907 -5.241 -1.570
107 HD1 PHE 12 1HD PHE 12 -1.414 -3.015 1.389
108 HD2 PHE 12 2HD PHE 12 -1.836 -6.898 -0.269
109 HE1 PHE 12 1HE PHE 12 -2.587 -3.777 3.473
110 HE2 PHE 12 2HE PHE 12 -3.009 -7.661 1.815
111 HZ PHE 12 HZ PHE 12 -3.370 -6.091 3.661
112 HA HYP 13 HA HYP 13 1.667 -0.044 -0.661
113 HB2 HYP 13 3HB HYP 13 1.004 1.226 -2.578
114 HB3 HYP 13 2HB HYP 13 -0.672 0.671 -2.489
115 HG HYP 13 2HG HYP 13 0.227 -0.605 -4.281
116 HD22 HYP 13 2HD HYP 13 -0.972 -2.058 -2.580
117 HD23 HYP 13 3HD HYP 13 0.541 -2.949 -2.892
118 HD1 HYP 13 1HG HYP 13 2.285 -1.652 -4.072
119 H ILE 14 HN ILE 14 1.247 1.455 0.895
120 HA ILE 14 HA ILE 14 0.161 2.717 2.344
121 HB ILE 14 HB ILE 14 -1.160 3.006 -0.056
122 HG12 ILE 14 2HG1 ILE 14 -1.473 4.551 2.533
123 HG13 ILE 14 3HG1 ILE 14 -0.242 4.800 1.311
124 HG21 ILE 14 1HG2 ILE 14 -3.347 2.943 2.008
125 HG22 ILE 14 2HG2 ILE 14 -3.462 2.981 0.231
126 HG23 ILE 14 3HG2 ILE 14 -2.945 1.492 1.058
127 HD11 ILE 14 3HD1 ILE 14 -1.931 5.455 -0.346
128 HD12 ILE 14 1HD1 ILE 14 -3.240 5.062 0.795
129 HD13 ILE 14 2HD1 ILE 14 -2.147 6.427 1.130
130 HA HYP 15 HA HYP 15 -1.133 0.004 5.400
131 HB2 HYP 15 3HB HYP 15 -1.725 1.337 7.297
132 HB3 HYP 15 2HB HYP 15 -2.941 2.252 6.399
133 HG HYP 15 2HG HYP 15 -1.117 3.769 6.545
134 HD22 HYP 15 2HD HYP 15 -1.980 3.536 4.170
135 HD23 HYP 15 3HD HYP 15 -0.208 3.440 3.978
136 HD1 HYP 15 1HG HYP 15 1.044 3.070 6.079
137 H SER 16 HN SER 16 -3.005 -1.078 6.529
138 HA SER 16 HA SER 16 -5.017 -1.881 6.700
139 HB2 SER 16 2HB SER 16 -6.104 0.191 4.761
140 HB3 SER 16 3HB SER 16 -6.963 -0.630 6.050
141 HG SER 16 HG SER 16 -5.687 1.731 6.177
142 HA HYP 17 HA HYP 17 -5.605 -4.764 3.551
143 HB2 HYP 17 3HB HYP 17 -7.697 -5.878 3.878
144 HB3 HYP 17 2HB HYP 17 -8.634 -4.397 3.653
145 HG HYP 17 2HG HYP 17 -8.679 -4.715 6.008
146 HD22 HYP 17 2HD HYP 17 -7.973 -2.362 5.376
147 HD23 HYP 17 3HD HYP 17 -6.795 -2.823 6.633
148 HD1 HYP 17 1HG HYP 17 -6.741 -5.236 7.169
149 H ASN 18 HN ASN 18 -5.547 -5.063 1.355
150 HA ASN 18 HA ASN 18 -6.189 -2.979 -0.361
151 HB2 ASN 18 2HB ASN 18 -4.921 -5.519 -0.524
152 HB3 ASN 18 3HB ASN 18 -6.260 -5.626 -1.649
153 HD21 ASN 18 1HD2 ASN 18 -4.008 -5.810 -2.842
154 HD22 ASN 18 2HD2 ASN 18 -3.485 -4.363 -3.636
155 HA HYP 19 HA HYP 19 -9.855 -6.103 -1.436
156 HB2 HYP 19 3HB HYP 19 -10.322 -8.171 -0.327
157 HB3 HYP 19 2HB HYP 19 -10.152 -7.461 1.282
158 HG HYP 19 2HG HYP 19 -8.120 -8.661 1.001
159 HD22 HYP 19 2HD HYP 19 -7.722 -6.268 1.746
160 HD23 HYP 19 3HD HYP 19 -6.534 -6.496 0.435
161 HD1 HYP 19 1HG HYP 19 -6.911 -8.495 -0.970
162 H ARG 20 HN ARG 20 -11.378 -4.522 -1.645
163 HA ARG 20 HA ARG 20 -12.998 -3.154 -1.096
164 HB2 ARG 20 2HB ARG 20 -14.199 -5.288 -1.223
165 HB3 ARG 20 3HB ARG 20 -13.779 -5.683 0.432
166 HG2 ARG 20 2HG ARG 20 -15.611 -4.590 1.194
167 HG3 ARG 20 3HG ARG 20 -15.067 -3.101 0.449
168 HD2 ARG 20 2HD ARG 20 -16.169 -3.653 -1.656
169 HD3 ARG 20 3HD ARG 20 -16.502 -5.289 -1.123
170 HE ARG 20 HE ARG 20 -17.647 -3.209 0.613
171 HH11 ARG 20 2HH2 ARG 20 -18.172 -5.276 -2.186
172 HH12 ARG 20 1HH2 ARG 20 -19.899 -5.183 -2.089
173 HH21 ARG 20 2HH1 ARG 20 -19.925 -3.087 0.741
174 HH22 ARG 20 1HH1 ARG 20 -20.903 -3.931 -0.414
175 H ASP 21 HN ASP 21 -10.978 -2.230 0.407
176 HA ASP 21 HA ASP 21 -12.318 -1.517 2.848
177 HB2 ASP 21 2HB ASP 21 -9.668 -2.978 2.691
178 HB3 ASP 21 3HB ASP 21 -9.923 -1.818 3.980
179 H LYS 22 HN LYS 22 -12.379 0.694 2.261
180 HA LYS 22 HA LYS 22 -11.645 2.751 1.932
181 HB2 LYS 22 2HB LYS 22 -9.698 1.635 3.545
182 HB3 LYS 22 3HB LYS 22 -8.759 2.279 2.213
183 HG2 LYS 22 2HG LYS 22 -9.360 4.485 2.659
184 HG3 LYS 22 3HG LYS 22 -10.933 4.047 3.296
185 HD2 LYS 22 2HD LYS 22 -9.606 2.962 5.278
186 HD3 LYS 22 3HD LYS 22 -8.236 3.884 4.691
187 HE2 LYS 22 2HE LYS 22 -9.842 5.950 4.763
188 HE3 LYS 22 3HE LYS 22 -10.890 4.940 5.738
189 HZ1 LYS 22 3HZ LYS 22 -8.209 5.895 6.356
190 HZ2 LYS 22 1HZ LYS 22 -9.558 5.952 7.274
191 HZ3 LYS 22 2HZ LYS 22 -8.763 4.539 7.079
192 H TRP 23 HN TRP 23 -11.345 0.265 -0.078
193 HA TRP 23 HA TRP 23 -9.426 1.013 -1.956
194 HB2 TRP 23 2HB TRP 23 -10.078 -0.888 -2.852
195 HB3 TRP 23 3HB TRP 23 -11.335 -1.008 -1.636
196 HD1 TRP 23 1HD TRP 23 -13.723 0.507 -2.472
197 HE1 TRP 23 1HE TRP 23 -14.980 0.430 -4.791
198 HE3 TRP 23 3HE TRP 23 -9.793 -1.313 -5.137
199 HZ2 TRP 23 2HZ TRP 23 -14.207 -0.365 -7.421
200 HZ3 TRP 23 3HZ TRP 23 -10.128 -1.711 -7.575
201 HH2 TRP 23 2HH TRP 23 -12.243 -1.267 -8.718
202 H CYS 24 HN CYS 24 -10.562 1.467 -4.396
203 HA CYS 24 HA CYS 24 -11.409 3.007 -5.708
204 HB2 CYS 24 3HB CYS 24 -13.563 3.634 -5.444
205 HB3 CYS 24 2HB CYS 24 -13.505 2.355 -4.248
206 H ARG 25 HN ARG 25 -10.159 4.780 -6.180
207 HA ARG 25 HA ARG 25 -9.618 6.577 -3.954
208 HB2 ARG 25 2HB ARG 25 -7.745 5.195 -5.371
209 HB3 ARG 25 3HB ARG 25 -7.870 6.603 -6.405
210 HG2 ARG 25 2HG ARG 25 -6.397 7.594 -4.978
211 HG3 ARG 25 3HG ARG 25 -7.754 7.767 -3.884
212 HD2 ARG 25 2HD ARG 25 -5.996 6.688 -2.626
213 HD3 ARG 25 3HD ARG 25 -7.200 5.456 -2.948
214 HE ARG 25 HE ARG 25 -5.387 5.345 -5.107
215 HH11 ARG 25 2HH2 ARG 25 -5.282 4.885 -1.620
216 HH12 ARG 25 1HH2 ARG 25 -3.974 3.751 -1.681
217 HH21 ARG 25 2HH1 ARG 25 -3.661 3.849 -5.187
218 HH22 ARG 25 1HH1 ARG 25 -3.046 3.158 -3.724
219 H LEU 26 HN LEU 26 -11.088 6.154 -7.063
220 HA LEU 26 HA LEU 26 -11.682 8.998 -7.149
221 HB2 LEU 26 2HB LEU 26 -11.320 8.605 -9.776
222 HB3 LEU 26 3HB LEU 26 -10.124 9.314 -8.708
223 HG LEU 26 HG LEU 26 -9.083 7.049 -8.448
224 HD11 LEU 26 1HD1 LEU 26 -9.893 5.645 -10.669
225 HD12 LEU 26 2HD1 LEU 26 -10.371 5.305 -8.987
226 HD13 LEU 26 3HD1 LEU 26 -11.428 6.284 -10.033
227 HD21 LEU 26 3HD2 LEU 26 -8.328 7.003 -10.980
228 HD22 LEU 26 1HD2 LEU 26 -9.212 8.548 -11.032
229 HD23 LEU 26 2HD2 LEU 26 -7.861 8.334 -9.893
230 H ASN 27 HN ASN 27 -13.184 9.052 -9.485
231 HA ASN 27 HA ASN 27 -15.583 8.279 -8.761
232 HB2 ASN 27 2HB ASN 27 -14.642 9.370 -11.019
233 HB3 ASN 27 3HB ASN 27 -14.810 7.743 -11.649
234 HD21 ASN 27 1HD2 ASN 27 -16.273 10.593 -11.540
235 HD22 ASN 27 2HD2 ASN 27 -17.949 10.158 -11.589
236 H LEU 28 HN LEU 28 -16.567 6.309 -8.272
237 HA LEU 28 HA LEU 28 -15.190 3.894 -8.527
238 HB2 LEU 28 2HB LEU 28 -17.318 4.809 -7.109
239 HB3 LEU 28 3HB LEU 28 -18.131 3.802 -8.291
240 HG LEU 28 HG LEU 28 -17.746 2.082 -6.938
241 HD11 LEU 28 1HD1 LEU 28 -14.769 2.304 -7.212
242 HD12 LEU 28 2HD1 LEU 28 -15.820 0.869 -7.279
243 HD13 LEU 28 3HD1 LEU 28 -15.769 2.001 -8.653
244 HD21 LEU 28 3HD2 LEU 28 -17.000 4.083 -5.279
245 HD22 LEU 28 1HD2 LEU 28 -17.014 2.362 -4.826
246 HD23 LEU 28 2HD2 LEU 28 -15.493 3.136 -5.335
247 H GLY 29 HN GLY 29 -17.449 2.218 -9.497
248 HA2 GLY 29 2HA GLY 29 -17.204 2.803 -12.388
249 HA3 GLY 29 1HA GLY 29 -17.068 1.195 -11.707
250 HA PRO 30 HA PRO 30 -21.337 1.928 -13.321
251 HB2 PRO 30 2HB PRO 30 -21.748 -0.684 -14.180
252 HB3 PRO 30 3HB PRO 30 -20.808 0.529 -15.060
253 HG2 PRO 30 2HG PRO 30 -19.728 -1.655 -13.192
254 HG3 PRO 30 3HG PRO 30 -19.173 -1.260 -14.834
255 HD2 PRO 30 2HD PRO 30 -17.866 -0.277 -12.592
256 HD3 PRO 30 3HD PRO 30 -18.006 0.723 -14.066
257 H ALA 31 HN ALA 31 -20.995 1.597 -10.245
258 HA ALA 31 HA ALA 31 -23.659 0.769 -9.811
259 HB1 ALA 31 1HB ALA 31 -22.413 -1.069 -8.106
260 HB2 ALA 31 2HB ALA 31 -23.330 -1.449 -9.583
261 HB3 ALA 31 3HB ALA 31 -21.560 -1.266 -9.656
262 H TRP 32 HN TRP 32 -21.828 3.047 -9.398
263 HA TRP 32 HA TRP 32 -22.222 3.275 -6.517
264 HB2 TRP 32 2HB TRP 32 -19.702 2.786 -7.600
265 HB3 TRP 32 3HB TRP 32 -19.732 4.522 -7.354
266 HD1 TRP 32 1HD TRP 32 -20.383 5.294 -4.690
267 HE1 TRP 32 1HE TRP 32 -19.724 4.225 -2.369
268 HE3 TRP 32 3HE TRP 32 -19.230 0.702 -6.540
269 HZ2 TRP 32 2HZ TRP 32 -18.815 1.636 -1.585
270 HZ3 TRP 32 3HZ TRP 32 -18.464 -1.041 -4.930
271 HH2 TRP 32 2HH TRP 32 -18.250 -0.634 -2.529
272 H GLY 33 HN GLY 33 -20.794 5.907 -6.585
273 HA2 GLY 33 2HA GLY 33 -22.800 7.400 -8.164
274 HA3 GLY 33 1HA GLY 33 -22.119 7.921 -6.635
275 H GLY 34 HN GLY 34 -20.875 9.709 -7.033
276 HA2 GLY 34 2HA GLY 34 -19.044 9.590 -9.353
277 HA3 GLY 34 1HA GLY 34 -19.758 11.053 -8.704
278 H ARG 35 HN ARG 35 -16.861 10.196 -9.050
279 HA ARG 35 HA ARG 35 -14.978 10.166 -7.971
280 HB2 ARG 35 2HB ARG 35 -14.575 12.055 -6.592
281 HB3 ARG 35 3HB ARG 35 -15.983 12.542 -7.517
282 HG2 ARG 35 2HG ARG 35 -17.274 12.682 -5.650
283 HG3 ARG 35 3HG ARG 35 -16.798 11.082 -5.114
284 HD2 ARG 35 2HD ARG 35 -14.961 11.889 -3.871
285 HD3 ARG 35 3HD ARG 35 -14.808 13.343 -4.837
286 HE ARG 35 HE ARG 35 -17.330 13.545 -3.633
287 HH11 ARG 35 2HH2 ARG 35 -14.010 13.224 -2.512
288 HH12 ARG 35 1HH2 ARG 35 -14.294 14.072 -1.029
289 HH21 ARG 35 2HH1 ARG 35 -17.704 14.665 -1.675
290 HH22 ARG 35 1HH1 ARG 35 -16.409 14.897 -0.550
291 H CYS 36 HN CYS 36 -14.009 10.187 -5.405
292 HA CYS 36 HA CYS 36 -15.659 8.444 -3.793
293 HB2 CYS 36 3HB CYS 36 -13.741 7.337 -5.510
294 HB3 CYS 36 2HB CYS 36 -12.976 7.348 -3.934
Start of MODEL 7
1 H1 TRP 1 HN TRP 1 29.090 13.971 -15.605
2 HA TRP 1 HA TRP 1 27.168 15.721 -14.902
3 HB2 TRP 1 2HB TRP 1 25.681 16.005 -16.768
4 HB3 TRP 1 3HB TRP 1 27.248 16.699 -17.136
5 HD1 TRP 1 1HD TRP 1 28.847 15.108 -18.858
6 HE1 TRP 1 1HE TRP 1 28.204 13.578 -20.909
7 HE3 TRP 1 3HE TRP 1 23.948 14.576 -17.600
8 HZ2 TRP 1 2HZ TRP 1 25.774 12.344 -21.757
9 HZ3 TRP 1 3HZ TRP 1 22.509 13.193 -19.093
10 HH2 TRP 1 2HH TRP 1 23.350 12.097 -21.110
11 H GLU 2 HN GLU 2 27.488 12.913 -17.198
12 HA GLU 2 HA GLU 2 25.310 11.531 -16.371
13 HB2 GLU 2 2HB GLU 2 26.373 9.561 -17.337
14 HB3 GLU 2 3HB GLU 2 26.775 10.957 -18.317
15 HG2 GLU 2 2HG GLU 2 28.942 10.288 -18.083
16 HG3 GLU 2 3HG GLU 2 28.847 10.971 -16.472
17 H TRP 3 HN TRP 3 24.703 10.920 -14.342
18 HA TRP 3 HA TRP 3 26.770 9.724 -12.644
19 HB2 TRP 3 2HB TRP 3 26.466 11.108 -10.910
20 HB3 TRP 3 3HB TRP 3 26.022 12.241 -12.171
21 HD1 TRP 3 1HD TRP 3 23.117 12.118 -12.682
22 HE1 TRP 3 1HE TRP 3 21.147 12.215 -10.928
23 HE3 TRP 3 3HE TRP 3 25.900 10.653 -8.686
24 HZ2 TRP 3 2HZ TRP 3 20.977 11.681 -8.130
25 HZ3 TRP 3 3HZ TRP 3 24.755 10.466 -6.479
26 HH2 TRP 3 2HH TRP 3 22.381 10.953 -6.166
27 HA PRO 4 HA PRO 4 23.934 6.455 -12.655
28 HB2 PRO 4 2HB PRO 4 24.722 5.103 -10.357
29 HB3 PRO 4 3HB PRO 4 25.699 5.247 -11.825
30 HG2 PRO 4 2HG PRO 4 25.898 6.967 -9.291
31 HG3 PRO 4 3HG PRO 4 27.221 6.154 -10.157
32 HD2 PRO 4 2HD PRO 4 26.658 8.838 -10.573
33 HD3 PRO 4 3HD PRO 4 27.210 7.812 -11.928
34 H TRP 5 HN TRP 5 22.891 9.085 -10.766
35 HA TRP 5 HA TRP 5 21.170 9.377 -9.367
36 HB2 TRP 5 2HB TRP 5 20.190 7.604 -11.558
37 HB3 TRP 5 3HB TRP 5 19.112 7.946 -10.221
38 HD1 TRP 5 1HD TRP 5 21.380 10.173 -12.522
39 HE1 TRP 5 1HE TRP 5 20.092 12.363 -13.233
40 HE3 TRP 5 3HE TRP 5 17.127 9.138 -9.935
41 HZ2 TRP 5 2HZ TRP 5 17.496 13.394 -12.646
42 HZ3 TRP 5 3HZ TRP 5 15.263 10.790 -10.057
43 HH2 TRP 5 2HH TRP 5 15.398 12.857 -11.353
44 H ASN 6 HN ASN 6 22.076 8.566 -7.394
45 HA ASN 6 HA ASN 6 21.892 5.776 -6.870
46 HB2 ASN 6 2HB ASN 6 22.950 6.322 -4.744
47 HB3 ASN 6 3HB ASN 6 23.718 7.314 -5.967
48 HD21 ASN 6 1HD2 ASN 6 23.671 7.842 -3.200
49 HD22 ASN 6 2HD2 ASN 6 22.825 9.326 -2.915
50 H ARG 7 HN ARG 7 20.814 5.130 -4.621
51 HA ARG 7 HA ARG 7 18.829 4.727 -3.767
52 HB2 ARG 7 2HB ARG 7 20.011 6.968 -2.638
53 HB3 ARG 7 3HB ARG 7 18.408 7.579 -2.994
54 HG2 ARG 7 2HG ARG 7 17.447 5.527 -1.818
55 HG3 ARG 7 3HG ARG 7 19.078 5.102 -1.340
56 HD2 ARG 7 2HD ARG 7 19.179 6.745 0.269
57 HD3 ARG 7 3HD ARG 7 18.357 7.923 -0.735
58 HE ARG 7 HE ARG 7 17.125 6.180 1.229
59 HH11 ARG 7 2HH2 ARG 7 16.538 7.804 -1.837
60 HH12 ARG 7 1HH2 ARG 7 14.821 7.866 -1.622
61 HH21 ARG 7 2HH1 ARG 7 14.858 6.260 1.513
62 HH22 ARG 7 1HH1 ARG 7 13.859 6.982 0.297
63 H LYS 8 HN LYS 8 17.437 4.265 -5.564
64 HA LYS 8 HA LYS 8 15.901 6.562 -6.552
65 HB2 LYS 8 2HB LYS 8 17.205 4.388 -7.885
66 HB3 LYS 8 3HB LYS 8 15.478 4.227 -8.138
67 HG2 LYS 8 2HG LYS 8 15.294 6.336 -9.195
68 HG3 LYS 8 3HG LYS 8 16.753 6.956 -8.447
69 HD2 LYS 8 2HD LYS 8 17.292 6.529 -10.760
70 HD3 LYS 8 3HD LYS 8 18.092 5.283 -9.823
71 HE2 LYS 8 2HE LYS 8 16.743 3.595 -10.646
72 HE3 LYS 8 3HE LYS 8 15.316 4.610 -10.702
73 HZ1 LYS 8 3HZ LYS 8 15.975 4.183 -12.897
74 HZ2 LYS 8 1HZ LYS 8 16.382 5.739 -12.617
75 HZ3 LYS 8 2HZ LYS 8 17.535 4.582 -12.621
76 HA HYP 9 HA HYP 9 12.215 5.473 -4.697
77 HB2 HYP 9 3HB HYP 9 10.400 6.291 -6.024
78 HB3 HYP 9 2HB HYP 9 10.832 5.285 -7.411
79 HG HYP 9 2HG HYP 9 11.597 7.444 -8.047
80 HD22 HYP 9 2HD HYP 9 13.387 5.671 -8.343
81 HD23 HYP 9 3HD HYP 9 14.259 7.011 -7.551
82 HD1 HYP 9 1HG HYP 9 12.807 8.754 -6.566
83 H THR 10 HN THR 10 11.323 3.720 -3.735
84 HA THR 10 HA THR 10 10.917 1.335 -5.419
85 HB THR 10 HB THR 10 11.341 1.487 -2.391
86 HG1 THR 10 1HG THR 10 13.083 0.843 -4.666
87 HG21 THR 10 3HG2 THR 10 12.247 -0.937 -3.122
88 HG22 THR 10 1HG2 THR 10 10.522 -0.684 -2.761
89 HG23 THR 10 2HG2 THR 10 11.083 -0.713 -4.450
90 H LYS 11 HN LYS 11 9.136 -0.138 -4.219
91 HA LYS 11 HA LYS 11 6.824 1.646 -4.043
92 HB2 LYS 11 2HB LYS 11 6.960 -0.138 -5.838
93 HB3 LYS 11 3HB LYS 11 6.847 -1.337 -4.566
94 HG2 LYS 11 2HG LYS 11 4.620 -0.894 -4.150
95 HG3 LYS 11 3HG LYS 11 4.800 0.828 -4.418
96 HD2 LYS 11 2HD LYS 11 3.779 0.501 -6.422
97 HD3 LYS 11 3HD LYS 11 5.276 -0.233 -6.961
98 HE2 LYS 11 2HE LYS 11 3.593 -2.094 -5.389
99 HE3 LYS 11 3HE LYS 11 2.788 -1.506 -6.829
100 HZ1 LYS 11 3HZ LYS 11 5.400 -2.114 -7.509
101 HZ2 LYS 11 1HZ LYS 11 4.823 -3.381 -6.655
102 HZ3 LYS 11 2HZ LYS 11 4.035 -2.870 -7.992
103 H PHE 12 HN PHE 12 5.141 1.150 -2.427
104 HA PHE 12 HA PHE 12 6.313 -0.150 -0.070
105 HB2 PHE 12 2HB PHE 12 4.571 1.614 1.006
106 HB3 PHE 12 3HB PHE 12 6.183 2.131 0.557
107 HD1 PHE 12 1HD PHE 12 2.743 1.862 -0.856
108 HD2 PHE 12 2HD PHE 12 6.436 3.953 -0.852
109 HE1 PHE 12 1HE PHE 12 1.763 3.596 -2.384
110 HE2 PHE 12 2HE PHE 12 5.455 5.687 -2.380
111 HZ PHE 12 HZ PHE 12 3.130 5.488 -3.126
112 HA HYP 13 HA HYP 13 2.927 -2.723 0.504
113 HB2 HYP 13 3HB HYP 13 2.619 -3.161 2.836
114 HB3 HYP 13 2HB HYP 13 2.256 -1.472 3.206
115 HG HYP 13 2HG HYP 13 4.491 -1.728 3.975
116 HD22 HYP 13 2HD HYP 13 4.223 0.300 2.474
117 HD23 HYP 13 3HD HYP 13 5.713 -0.472 1.866
118 HD1 HYP 13 1HG HYP 13 6.081 -2.785 2.661
119 H ILE 14 HN ILE 14 0.783 -3.083 0.017
120 HA ILE 14 HA ILE 14 -0.933 -0.818 -0.295
121 HB ILE 14 HB ILE 14 -1.827 -3.672 -0.448
122 HG12 ILE 14 2HG1 ILE 14 -0.927 -3.061 -3.001
123 HG13 ILE 14 3HG1 ILE 14 0.366 -2.472 -1.976
124 HG21 ILE 14 1HG2 ILE 14 -2.652 -1.036 -1.557
125 HG22 ILE 14 2HG2 ILE 14 -2.874 -2.470 -2.589
126 HG23 ILE 14 3HG2 ILE 14 -3.633 -2.404 -0.981
127 HD11 ILE 14 3HD1 ILE 14 0.176 -5.063 -2.762
128 HD12 ILE 14 1HD1 ILE 14 0.928 -4.580 -1.223
129 HD13 ILE 14 2HD1 ILE 14 -0.757 -5.152 -1.250
130 HA HYP 15 HA HYP 15 -2.418 -0.216 3.688
131 HB2 HYP 15 3HB HYP 15 -4.360 1.166 3.478
132 HB3 HYP 15 2HB HYP 15 -5.182 0.018 2.415
133 HG HYP 15 2HG HYP 15 -4.443 1.710 0.918
134 HD22 HYP 15 2HD HYP 15 -3.792 -0.613 0.131
135 HD23 HYP 15 3HD HYP 15 -2.300 0.336 -0.101
136 HD1 HYP 15 1HG HYP 15 -2.279 2.532 1.036
137 H SER 16 HN SER 16 -3.800 -0.981 5.456
138 HA SER 16 HA SER 16 -4.362 -3.698 5.370
139 HB2 SER 16 2HB SER 16 -4.146 -1.789 7.338
140 HB3 SER 16 3HB SER 16 -5.880 -2.039 7.328
141 HG SER 16 HG SER 16 -4.131 -3.537 8.582
142 HA HYP 17 HA HYP 17 -8.961 -2.003 5.169
143 HB2 HYP 17 3HB HYP 17 -9.629 0.286 4.978
144 HB3 HYP 17 2HB HYP 17 -8.468 0.620 3.689
145 HG HYP 17 2HG HYP 17 -7.457 1.608 5.599
146 HD22 HYP 17 2HD HYP 17 -5.855 0.089 4.346
147 HD23 HYP 17 3HD HYP 17 -5.610 -0.369 6.053
148 HD1 HYP 17 1HG HYP 17 -7.347 0.456 7.608
149 H ASN 18 HN ASN 18 -9.862 -3.393 3.746
150 HA ASN 18 HA ASN 18 -9.415 -2.840 0.928
151 HB2 ASN 18 2HB ASN 18 -9.941 -5.277 2.533
152 HB3 ASN 18 3HB ASN 18 -10.980 -5.175 1.125
153 HD21 ASN 18 1HD2 ASN 18 -7.896 -5.881 2.324
154 HD22 ASN 18 2HD2 ASN 18 -7.050 -6.137 0.836
155 HA HYP 19 HA HYP 19 -13.418 -1.405 0.042
156 HB2 HYP 19 3HB HYP 19 -14.167 -2.180 -2.094
157 HB3 HYP 19 2HB HYP 19 -14.136 -3.876 -1.598
158 HG HYP 19 2HG HYP 19 -12.180 -3.665 -2.931
159 HD22 HYP 19 2HD HYP 19 -11.698 -4.752 -0.688
160 HD23 HYP 19 3HD HYP 19 -10.382 -3.559 -0.862
161 HD1 HYP 19 1HG HYP 19 -10.736 -1.876 -2.638
162 H ARG 20 HN ARG 20 -14.711 -1.272 1.842
163 HA ARG 20 HA ARG 20 -16.265 -1.827 3.284
164 HB2 ARG 20 2HB ARG 20 -17.578 -1.176 1.286
165 HB3 ARG 20 3HB ARG 20 -17.531 -2.819 0.681
166 HG2 ARG 20 2HG ARG 20 -19.235 -3.498 2.044
167 HG3 ARG 20 3HG ARG 20 -18.564 -2.681 3.442
168 HD2 ARG 20 2HD ARG 20 -20.342 -1.254 3.206
169 HD3 ARG 20 3HD ARG 20 -19.383 -0.516 1.937
170 HE ARG 20 HE ARG 20 -20.867 -1.384 0.355
171 HH11 ARG 20 2HH2 ARG 20 -21.226 -3.184 3.357
172 HH12 ARG 20 1HH2 ARG 20 -22.588 -4.096 2.797
173 HH21 ARG 20 2HH1 ARG 20 -22.664 -2.587 -0.385
174 HH22 ARG 20 1HH1 ARG 20 -23.411 -3.753 0.654
175 H ASP 21 HN ASP 21 -14.228 -3.956 2.955
176 HA ASP 21 HA ASP 21 -15.574 -6.426 2.826
177 HB2 ASP 21 2HB ASP 21 -12.811 -5.556 3.761
178 HB3 ASP 21 3HB ASP 21 -13.321 -7.228 3.878
179 H LYS 22 HN LYS 22 -17.172 -6.657 4.462
180 HA LYS 22 HA LYS 22 -18.090 -6.736 6.479
181 HB2 LYS 22 2HB LYS 22 -15.543 -8.180 6.603
182 HB3 LYS 22 3HB LYS 22 -16.106 -7.666 8.181
183 HG2 LYS 22 2HG LYS 22 -18.434 -8.609 7.443
184 HG3 LYS 22 3HG LYS 22 -17.556 -9.409 6.155
185 HD2 LYS 22 2HD LYS 22 -15.972 -10.086 8.287
186 HD3 LYS 22 3HD LYS 22 -17.516 -9.944 9.101
187 HE2 LYS 22 2HE LYS 22 -17.185 -11.568 6.542
188 HE3 LYS 22 3HE LYS 22 -16.917 -12.268 8.126
189 HZ1 LYS 22 3HZ LYS 22 -19.387 -10.814 7.660
190 HZ2 LYS 22 1HZ LYS 22 -19.243 -12.319 7.045
191 HZ3 LYS 22 2HZ LYS 22 -19.103 -12.078 8.654
192 H TRP 23 HN TRP 23 -16.632 -4.202 5.630
193 HA TRP 23 HA TRP 23 -15.302 -3.011 7.709
194 HB2 TRP 23 2HB TRP 23 -15.309 -1.294 6.325
195 HB3 TRP 23 3HB TRP 23 -16.282 -2.259 5.233
196 HD1 TRP 23 1HD TRP 23 -19.098 -1.902 5.601
197 HE1 TRP 23 1HE TRP 23 -20.500 0.272 6.119
198 HE3 TRP 23 3HE TRP 23 -15.206 0.805 7.441
199 HZ2 TRP 23 2HZ TRP 23 -19.839 2.823 7.215
200 HZ3 TRP 23 3HZ TRP 23 -15.670 3.128 8.213
201 HH2 TRP 23 2HH TRP 23 -17.892 4.143 8.124
202 H CYS 24 HN CYS 24 -16.322 -1.095 9.069
203 HA CYS 24 HA CYS 24 -18.898 -0.899 9.772
204 HB2 CYS 24 3HB CYS 24 -17.970 -3.484 10.581
205 HB3 CYS 24 2HB CYS 24 -18.274 -2.529 12.019
206 H ARG 25 HN ARG 25 -18.020 1.220 10.114
207 HA ARG 25 HA ARG 25 -15.799 1.720 11.645
208 HB2 ARG 25 2HB ARG 25 -17.361 3.249 10.076
209 HB3 ARG 25 3HB ARG 25 -18.093 3.693 11.605
210 HG2 ARG 25 2HG ARG 25 -15.095 3.722 11.521
211 HG3 ARG 25 3HG ARG 25 -15.903 4.952 10.571
212 HD2 ARG 25 2HD ARG 25 -16.636 6.090 12.428
213 HD3 ARG 25 3HD ARG 25 -17.061 4.622 13.284
214 HE ARG 25 HE ARG 25 -14.290 4.562 13.271
215 HH11 ARG 25 2HH2 ARG 25 -16.679 6.937 14.290
216 HH12 ARG 25 1HH2 ARG 25 -15.667 7.614 15.522
217 HH21 ARG 25 2HH1 ARG 25 -12.955 5.455 14.896
218 HH22 ARG 25 1HH1 ARG 25 -13.535 6.765 15.870
219 H LEU 26 HN LEU 26 -19.108 0.912 12.529
220 HA LEU 26 HA LEU 26 -18.614 1.755 15.290
221 HB2 LEU 26 2HB LEU 26 -21.223 0.824 14.107
222 HB3 LEU 26 3HB LEU 26 -20.958 1.672 15.618
223 HG LEU 26 HG LEU 26 -20.265 2.954 12.977
224 HD11 LEU 26 1HD1 LEU 26 -22.594 2.204 12.810
225 HD12 LEU 26 2HD1 LEU 26 -22.973 3.035 14.338
226 HD13 LEU 26 3HD1 LEU 26 -22.477 3.978 12.912
227 HD21 LEU 26 3HD2 LEU 26 -20.185 4.951 14.126
228 HD22 LEU 26 1HD2 LEU 26 -21.240 4.370 15.436
229 HD23 LEU 26 2HD2 LEU 26 -19.553 3.811 15.339
230 H ASN 27 HN ASN 27 -20.740 -0.235 16.157
231 HA ASN 27 HA ASN 27 -19.280 -2.105 17.254
232 HB2 ASN 27 2HB ASN 27 -21.937 -2.761 15.881
233 HB3 ASN 27 3HB ASN 27 -21.274 -3.568 17.288
234 HD21 ASN 27 1HD2 ASN 27 -21.191 -2.517 19.280
235 HD22 ASN 27 2HD2 ASN 27 -22.177 -1.143 19.655
236 H LEU 28 HN LEU 28 -17.521 -3.057 16.122
237 HA LEU 28 HA LEU 28 -17.665 -3.872 13.449
238 HB2 LEU 28 2HB LEU 28 -15.702 -3.471 15.287
239 HB3 LEU 28 3HB LEU 28 -15.729 -5.221 15.217
240 HG LEU 28 HG LEU 28 -14.365 -5.067 13.470
241 HD11 LEU 28 1HD1 LEU 28 -16.397 -3.651 11.781
242 HD12 LEU 28 2HD1 LEU 28 -15.323 -5.013 11.379
243 HD13 LEU 28 3HD1 LEU 28 -16.751 -5.279 12.408
244 HD21 LEU 28 3HD2 LEU 28 -14.239 -2.520 14.271
245 HD22 LEU 28 1HD2 LEU 28 -13.393 -3.121 12.824
246 HD23 LEU 28 2HD2 LEU 28 -14.944 -2.265 12.657
247 H GLY 29 HN GLY 29 -16.464 -6.564 13.753
248 HA2 GLY 29 2HA GLY 29 -18.671 -8.136 14.867
249 HA3 GLY 29 1HA GLY 29 -18.356 -8.267 13.149
250 HA PRO 30 HA PRO 30 -15.969 -11.725 14.455
251 HB2 PRO 30 2HB PRO 30 -14.961 -12.426 11.961
252 HB3 PRO 30 3HB PRO 30 -16.645 -12.634 12.461
253 HG2 PRO 30 2HG PRO 30 -15.472 -10.320 10.819
254 HG3 PRO 30 3HG PRO 30 -16.914 -11.291 10.448
255 HD2 PRO 30 2HD PRO 30 -17.118 -8.816 11.687
256 HD3 PRO 30 3HD PRO 30 -18.238 -10.139 12.123
257 H ALA 31 HN ALA 31 -14.422 -8.863 14.706
258 HA ALA 31 HA ALA 31 -11.949 -10.156 15.239
259 HB1 ALA 31 1HB ALA 31 -11.364 -7.987 13.363
260 HB2 ALA 31 2HB ALA 31 -10.733 -9.650 13.410
261 HB3 ALA 31 3HB ALA 31 -12.278 -9.306 12.596
262 H TRP 32 HN TRP 32 -14.181 -8.500 16.439
263 HA TRP 32 HA TRP 32 -12.423 -6.582 17.725
264 HB2 TRP 32 2HB TRP 32 -13.921 -5.655 15.663
265 HB3 TRP 32 3HB TRP 32 -15.056 -5.460 16.984
266 HD1 TRP 32 1HD TRP 32 -13.744 -4.108 19.263
267 HE1 TRP 32 1HE TRP 32 -12.317 -1.888 19.237
268 HE3 TRP 32 3HE TRP 32 -12.558 -4.307 14.322
269 HZ2 TRP 32 2HZ TRP 32 -10.885 -0.495 17.198
270 HZ3 TRP 32 3HZ TRP 32 -11.142 -2.478 13.393
271 HH2 TRP 32 2HH TRP 32 -10.312 -0.618 14.745
272 H GLY 33 HN GLY 33 -15.091 -5.394 18.817
273 HA2 GLY 33 2HA GLY 33 -16.064 -7.704 20.350
274 HA3 GLY 33 1HA GLY 33 -15.369 -6.347 21.212
275 H GLY 34 HN GLY 34 -18.238 -7.659 19.951
276 HA2 GLY 34 2HA GLY 34 -20.076 -6.057 20.897
277 HA3 GLY 34 1HA GLY 34 -19.542 -5.065 19.555
278 H ARG 35 HN ARG 35 -20.312 -5.477 17.495
279 HA ARG 35 HA ARG 35 -20.890 -7.872 16.437
280 HB2 ARG 35 2HB ARG 35 -22.861 -7.266 18.419
281 HB3 ARG 35 3HB ARG 35 -23.649 -7.015 16.874
282 HG2 ARG 35 2HG ARG 35 -22.004 -9.467 16.903
283 HG3 ARG 35 3HG ARG 35 -23.244 -9.487 18.140
284 HD2 ARG 35 2HD ARG 35 -25.013 -9.284 16.557
285 HD3 ARG 35 3HD ARG 35 -23.958 -8.650 15.310
286 HE ARG 35 HE ARG 35 -24.417 -11.459 15.928
287 HH11 ARG 35 2HH2 ARG 35 -22.065 -9.194 14.618
288 HH12 ARG 35 1HH2 ARG 35 -21.250 -10.392 13.668
289 HH21 ARG 35 2HH1 ARG 35 -23.342 -13.040 14.676
290 HH22 ARG 35 1HH1 ARG 35 -21.981 -12.594 13.701
291 H CYS 36 HN CYS 36 -21.261 -7.515 14.232
292 HA CYS 36 HA CYS 36 -22.108 -4.796 13.541
293 HB2 CYS 36 3HB CYS 36 -19.822 -5.072 12.930
294 HB3 CYS 36 2HB CYS 36 -20.128 -6.633 12.195
Start of MODEL 8
1 H1 TRP 1 HN TRP 1 20.077 16.208 -4.088
2 HA TRP 1 HA TRP 1 18.614 16.792 -5.866
3 HB2 TRP 1 2HB TRP 1 21.057 15.259 -6.752
4 HB3 TRP 1 3HB TRP 1 20.045 16.164 -7.861
5 HD1 TRP 1 1HD TRP 1 23.152 16.683 -6.150
6 HE1 TRP 1 1HE TRP 1 23.773 19.202 -5.671
7 HE3 TRP 1 3HE TRP 1 18.473 18.526 -6.903
8 HZ2 TRP 1 2HZ TRP 1 22.271 21.629 -5.660
9 HZ3 TRP 1 3HZ TRP 1 18.136 20.982 -6.639
10 HH2 TRP 1 2HH TRP 1 19.941 22.518 -6.040
11 H GLU 2 HN GLU 2 19.770 13.360 -6.285
12 HA GLU 2 HA GLU 2 18.071 12.493 -8.109
13 HB2 GLU 2 2HB GLU 2 18.163 10.246 -6.958
14 HB3 GLU 2 3HB GLU 2 19.724 11.016 -7.153
15 HG2 GLU 2 2HG GLU 2 18.954 12.021 -4.697
16 HG3 GLU 2 3HG GLU 2 18.190 10.444 -4.661
17 H TRP 3 HN TRP 3 15.942 11.497 -8.186
18 HA TRP 3 HA TRP 3 14.273 11.893 -5.833
19 HB2 TRP 3 2HB TRP 3 12.648 12.802 -7.877
20 HB3 TRP 3 3HB TRP 3 13.355 13.752 -6.587
21 HD1 TRP 3 1HD TRP 3 14.380 15.905 -7.637
22 HE1 TRP 3 1HE TRP 3 15.779 16.606 -9.762
23 HE3 TRP 3 3HE TRP 3 14.492 11.277 -9.738
24 HZ2 TRP 3 2HZ TRP 3 16.753 15.177 -12.033
25 HZ3 TRP 3 3HZ TRP 3 15.688 11.015 -11.910
26 HH2 TRP 3 2HH TRP 3 16.794 12.872 -13.054
27 HA PRO 4 HA PRO 4 14.137 8.065 -8.593
28 HB2 PRO 4 2HB PRO 4 14.727 6.189 -6.628
29 HB3 PRO 4 3HB PRO 4 15.932 7.152 -7.495
30 HG2 PRO 4 2HG PRO 4 14.740 7.730 -4.725
31 HG3 PRO 4 3HG PRO 4 16.457 7.708 -5.184
32 HD2 PRO 4 2HD PRO 4 15.028 10.083 -5.047
33 HD3 PRO 4 3HD PRO 4 16.286 9.858 -6.297
34 H TRP 5 HN TRP 5 11.655 8.427 -8.966
35 HA TRP 5 HA TRP 5 10.232 6.336 -7.671
36 HB2 TRP 5 2HB TRP 5 8.582 7.597 -6.502
37 HB3 TRP 5 3HB TRP 5 10.165 8.015 -5.875
38 HD1 TRP 5 1HD TRP 5 11.118 10.532 -6.625
39 HE1 TRP 5 1HE TRP 5 9.902 12.802 -7.200
40 HE3 TRP 5 3HE TRP 5 6.562 8.468 -7.537
41 HZ2 TRP 5 2HZ TRP 5 7.232 13.465 -7.956
42 HZ3 TRP 5 3HZ TRP 5 4.704 9.997 -8.188
43 HH2 TRP 5 2HH TRP 5 4.982 12.415 -8.403
44 H ASN 6 HN ASN 6 10.931 6.716 -10.313
45 HA ASN 6 HA ASN 6 8.401 7.616 -11.449
46 HB2 ASN 6 2HB ASN 6 11.257 7.998 -12.437
47 HB3 ASN 6 3HB ASN 6 9.926 8.009 -13.578
48 HD21 ASN 6 1HD2 ASN 6 11.019 10.217 -13.761
49 HD22 ASN 6 2HD2 ASN 6 10.325 11.512 -12.844
50 H ARG 7 HN ARG 7 8.572 6.640 -14.013
51 HA ARG 7 HA ARG 7 8.055 4.756 -15.017
52 HB2 ARG 7 2HB ARG 7 10.793 5.197 -14.983
53 HB3 ARG 7 3HB ARG 7 10.717 3.533 -14.440
54 HG2 ARG 7 2HG ARG 7 9.795 2.761 -16.450
55 HG3 ARG 7 3HG ARG 7 9.024 4.291 -16.814
56 HD2 ARG 7 2HD ARG 7 11.592 5.131 -16.946
57 HD3 ARG 7 3HD ARG 7 11.872 3.438 -17.301
58 HE ARG 7 HE ARG 7 10.968 3.802 -19.416
59 HH11 ARG 7 2HH2 ARG 7 9.662 6.221 -17.217
60 HH12 ARG 7 1HH2 ARG 7 8.775 7.050 -18.453
61 HH21 ARG 7 2HH1 ARG 7 9.797 4.895 -21.045
62 HH22 ARG 7 1HH1 ARG 7 8.852 6.290 -20.645
63 H LYS 8 HN LYS 8 6.486 3.769 -13.596
64 HA LYS 8 HA LYS 8 5.685 2.346 -12.086
65 HB2 LYS 8 2HB LYS 8 5.856 0.649 -13.596
66 HB3 LYS 8 3HB LYS 8 7.587 0.828 -13.792
67 HG2 LYS 8 2HG LYS 8 8.083 -0.449 -11.871
68 HG3 LYS 8 3HG LYS 8 6.528 -0.130 -11.127
69 HD2 LYS 8 2HD LYS 8 6.236 -1.534 -13.699
70 HD3 LYS 8 3HD LYS 8 7.244 -2.433 -12.583
71 HE2 LYS 8 2HE LYS 8 5.231 -3.202 -11.784
72 HE3 LYS 8 3HE LYS 8 5.241 -1.704 -10.873
73 HZ1 LYS 8 3HZ LYS 8 3.446 -1.120 -11.973
74 HZ2 LYS 8 1HZ LYS 8 4.256 -1.139 -13.391
75 HZ3 LYS 8 2HZ LYS 8 3.481 -2.481 -12.876
76 HA HYP 9 HA HYP 9 8.713 3.645 -8.964
77 HB2 HYP 9 3HB HYP 9 7.441 5.020 -7.476
78 HB3 HYP 9 2HB HYP 9 6.121 3.851 -7.364
79 HG HYP 9 2HG HYP 9 5.252 5.514 -8.823
80 HD22 HYP 9 2HD HYP 9 4.995 3.176 -9.778
81 HD23 HYP 9 3HD HYP 9 5.609 4.123 -11.160
82 HD1 HYP 9 1HG HYP 9 6.532 6.339 -10.571
83 H THR 10 HN THR 10 8.463 3.204 -6.258
84 HA THR 10 HA THR 10 8.930 0.474 -5.887
85 HB THR 10 HB THR 10 8.481 1.264 -3.404
86 HG1 THR 10 1HG THR 10 7.192 3.118 -4.454
87 HG21 THR 10 3HG2 THR 10 10.446 3.114 -4.754
88 HG22 THR 10 1HG2 THR 10 10.646 2.144 -3.274
89 HG23 THR 10 2HG2 THR 10 10.753 1.364 -4.871
90 H LYS 11 HN LYS 11 7.703 -1.270 -5.329
91 HA LYS 11 HA LYS 11 4.811 -0.762 -5.316
92 HB2 LYS 11 2HB LYS 11 6.287 -2.338 -7.047
93 HB3 LYS 11 3HB LYS 11 5.693 -3.504 -5.883
94 HG2 LYS 11 2HG LYS 11 3.427 -1.978 -6.278
95 HG3 LYS 11 3HG LYS 11 4.180 -1.858 -7.856
96 HD2 LYS 11 2HD LYS 11 3.637 -4.486 -6.393
97 HD3 LYS 11 3HD LYS 11 2.613 -3.820 -7.650
98 HE2 LYS 11 2HE LYS 11 4.853 -3.765 -9.075
99 HE3 LYS 11 3HE LYS 11 5.425 -4.925 -7.893
100 HZ1 LYS 11 3HZ LYS 11 3.042 -5.196 -9.588
101 HZ2 LYS 11 1HZ LYS 11 4.414 -6.077 -9.674
102 HZ3 LYS 11 2HZ LYS 11 3.422 -6.236 -8.387
103 H PHE 12 HN PHE 12 4.723 -0.312 -3.051
104 HA PHE 12 HA PHE 12 5.215 -2.709 -1.426
105 HB2 PHE 12 2HB PHE 12 5.376 -0.707 0.383
106 HB3 PHE 12 3HB PHE 12 6.776 -1.145 -0.574
107 HD1 PHE 12 1HD PHE 12 3.738 0.919 -1.281
108 HD2 PHE 12 2HD PHE 12 7.974 0.730 -1.153
109 HE1 PHE 12 1HE PHE 12 3.869 3.265 -2.163
110 HE2 PHE 12 2HE PHE 12 8.107 3.076 -2.034
111 HZ PHE 12 HZ PHE 12 6.052 4.316 -2.529
112 HA HYP 13 HA HYP 13 1.180 -2.806 0.023
113 HB2 HYP 13 3HB HYP 13 1.143 -3.782 2.208
114 HB3 HYP 13 2HB HYP 13 2.102 -2.477 2.915
115 HG HYP 13 2HG HYP 13 3.669 -4.252 2.706
116 HD22 HYP 13 2HD HYP 13 4.544 -2.085 1.718
117 HD23 HYP 13 3HD HYP 13 4.953 -3.301 0.477
118 HD1 HYP 13 1HG HYP 13 3.814 -5.479 0.745
119 H ILE 14 HN ILE 14 -0.604 -1.531 0.130
120 HA ILE 14 HA ILE 14 -0.309 1.109 1.324
121 HB ILE 14 HB ILE 14 -2.742 0.080 -0.096
122 HG12 ILE 14 2HG1 ILE 14 -0.273 1.210 -1.447
123 HG13 ILE 14 3HG1 ILE 14 -0.765 -0.470 -1.495
124 HG21 ILE 14 1HG2 ILE 14 -2.618 2.590 -0.835
125 HG22 ILE 14 2HG2 ILE 14 -3.234 2.150 0.776
126 HG23 ILE 14 3HG2 ILE 14 -1.569 2.751 0.594
127 HD11 ILE 14 3HD1 ILE 14 -1.652 0.444 -3.499
128 HD12 ILE 14 1HD1 ILE 14 -3.049 0.408 -2.396
129 HD13 ILE 14 2HD1 ILE 14 -2.183 1.936 -2.686
130 HA HYP 15 HA HYP 15 -1.701 0.068 5.251
131 HB2 HYP 15 3HB HYP 15 -2.268 2.128 6.328
132 HB3 HYP 15 2HB HYP 15 -3.443 2.569 5.084
133 HG HYP 15 2HG HYP 15 -1.571 3.943 4.575
134 HD22 HYP 15 2HD HYP 15 -2.415 2.684 2.540
135 HD23 HYP 15 3HD HYP 15 -0.646 2.468 2.456
136 HD1 HYP 15 1HG HYP 15 0.570 3.056 4.527
137 H SER 16 HN SER 16 -3.265 -1.098 6.322
138 HA SER 16 HA SER 16 -5.150 -2.088 6.745
139 HB2 SER 16 2HB SER 16 -6.038 0.649 5.891
140 HB3 SER 16 3HB SER 16 -7.287 -0.568 6.058
141 HG SER 16 HG SER 16 -5.769 0.722 8.027
142 HA HYP 17 HA HYP 17 -6.684 -4.423 3.463
143 HB2 HYP 17 3HB HYP 17 -8.677 -5.557 4.150
144 HB3 HYP 17 2HB HYP 17 -9.566 -4.050 4.400
145 HG HYP 17 2HG HYP 17 -9.025 -4.735 6.611
146 HD22 HYP 17 2HD HYP 17 -8.390 -2.317 6.176
147 HD23 HYP 17 3HD HYP 17 -6.954 -2.981 7.002
148 HD1 HYP 17 1HG HYP 17 -6.885 -5.449 7.139
149 H ASN 18 HN ASN 18 -9.120 -4.667 2.026
150 HA ASN 18 HA ASN 18 -10.132 -2.195 1.238
151 HB2 ASN 18 2HB ASN 18 -7.708 -2.818 -0.061
152 HB3 ASN 18 3HB ASN 18 -8.923 -3.344 -1.210
153 HD21 ASN 18 1HD2 ASN 18 -8.530 -1.755 -2.680
154 HD22 ASN 18 2HD2 ASN 18 -8.927 -0.086 -2.446
155 HA HYP 19 HA HYP 19 -13.262 -4.776 -0.366
156 HB2 HYP 19 3HB HYP 19 -14.672 -3.466 -1.788
157 HB3 HYP 19 2HB HYP 19 -13.385 -3.177 -2.964
158 HG HYP 19 2HG HYP 19 -13.520 -1.115 -1.788
159 HD22 HYP 19 2HD HYP 19 -11.141 -1.986 -1.922
160 HD23 HYP 19 3HD HYP 19 -11.303 -1.485 -0.217
161 HD1 HYP 19 1HG HYP 19 -13.626 -1.078 0.526
162 H ARG 20 HN ARG 20 -10.386 -5.339 -1.662
163 HA ARG 20 HA ARG 20 -11.462 -7.184 -3.630
164 HB2 ARG 20 2HB ARG 20 -8.735 -7.508 -3.797
165 HB3 ARG 20 3HB ARG 20 -9.637 -6.359 -4.763
166 HG2 ARG 20 2HG ARG 20 -9.197 -4.562 -3.140
167 HG3 ARG 20 3HG ARG 20 -8.443 -5.692 -2.033
168 HD2 ARG 20 2HD ARG 20 -6.717 -6.198 -3.853
169 HD3 ARG 20 3HD ARG 20 -7.416 -4.899 -4.799
170 HE ARG 20 HE ARG 20 -6.881 -3.822 -2.235
171 HH11 ARG 20 2HH2 ARG 20 -5.066 -5.184 -4.925
172 HH12 ARG 20 1HH2 ARG 20 -3.638 -4.262 -4.595
173 HH21 ARG 20 2HH1 ARG 20 -4.996 -2.606 -1.799
174 HH22 ARG 20 1HH1 ARG 20 -3.599 -2.786 -2.804
175 H ASP 21 HN ASP 21 -11.751 -7.453 -0.661
176 HA ASP 21 HA ASP 21 -9.830 -9.327 0.197
177 HB2 ASP 21 2HB ASP 21 -12.627 -8.717 1.264
178 HB3 ASP 21 3HB ASP 21 -11.413 -9.649 2.118
179 H LYS 22 HN LYS 22 -9.799 -11.205 -1.140
180 HA LYS 22 HA LYS 22 -10.521 -13.014 -2.203
181 HB2 LYS 22 2HB LYS 22 -11.001 -13.279 0.472
182 HB3 LYS 22 3HB LYS 22 -12.588 -13.638 -0.179
183 HG2 LYS 22 2HG LYS 22 -11.282 -15.182 -1.877
184 HG3 LYS 22 3HG LYS 22 -9.962 -15.057 -0.731
185 HD2 LYS 22 2HD LYS 22 -11.217 -17.037 -0.139
186 HD3 LYS 22 3HD LYS 22 -11.549 -15.838 1.095
187 HE2 LYS 22 2HE LYS 22 -13.765 -16.039 0.665
188 HE3 LYS 22 3HE LYS 22 -13.496 -15.396 -0.943
189 HZ1 LYS 22 3HZ LYS 22 -14.414 -17.474 -1.271
190 HZ2 LYS 22 1HZ LYS 22 -12.823 -17.748 -1.517
191 HZ3 LYS 22 2HZ LYS 22 -13.521 -18.199 -0.111
192 H TRP 23 HN TRP 23 -11.926 -10.382 -2.740
193 HA TRP 23 HA TRP 23 -14.631 -10.679 -3.079
194 HB2 TRP 23 2HB TRP 23 -14.424 -8.661 -3.942
195 HB3 TRP 23 3HB TRP 23 -12.689 -8.814 -3.745
196 HD1 TRP 23 1HD TRP 23 -11.383 -9.914 -6.052
197 HE1 TRP 23 1HE TRP 23 -11.798 -9.475 -8.621
198 HE3 TRP 23 3HE TRP 23 -16.111 -8.118 -5.520
199 HZ2 TRP 23 2HZ TRP 23 -14.007 -8.449 -10.109
200 HZ3 TRP 23 3HZ TRP 23 -17.327 -7.420 -7.582
201 HH2 TRP 23 2HH TRP 23 -16.349 -7.562 -9.817
202 H CYS 24 HN CYS 24 -15.649 -10.815 -5.464
203 HA CYS 24 HA CYS 24 -14.708 -12.074 -7.556
204 HB2 CYS 24 3HB CYS 24 -13.695 -13.911 -6.643
205 HB3 CYS 24 2HB CYS 24 -14.862 -14.066 -5.345
206 H ARG 25 HN ARG 25 -16.585 -10.691 -8.065
207 HA ARG 25 HA ARG 25 -19.098 -12.039 -7.481
208 HB2 ARG 25 2HB ARG 25 -18.488 -9.480 -6.807
209 HB3 ARG 25 3HB ARG 25 -19.047 -9.180 -8.440
210 HG2 ARG 25 2HG ARG 25 -21.239 -9.883 -7.978
211 HG3 ARG 25 3HG ARG 25 -20.742 -10.946 -6.677
212 HD2 ARG 25 2HD ARG 25 -21.536 -9.257 -5.333
213 HD3 ARG 25 3HD ARG 25 -19.959 -8.547 -5.617
214 HE ARG 25 HE ARG 25 -21.368 -7.613 -7.770
215 HH11 ARG 25 2HH2 ARG 25 -22.106 -7.670 -4.331
216 HH12 ARG 25 1HH2 ARG 25 -23.080 -6.239 -4.386
217 HH21 ARG 25 2HH1 ARG 25 -22.652 -5.725 -7.844
218 HH22 ARG 25 1HH1 ARG 25 -23.393 -5.125 -6.398
219 H LEU 26 HN LEU 26 -16.811 -11.023 -9.906
220 HA LEU 26 HA LEU 26 -18.744 -11.765 -11.988
221 HB2 LEU 26 2HB LEU 26 -16.750 -9.504 -11.985
222 HB3 LEU 26 3HB LEU 26 -17.449 -10.150 -13.456
223 HG LEU 26 HG LEU 26 -19.591 -9.578 -11.649
224 HD11 LEU 26 1HD1 LEU 26 -18.237 -8.062 -10.421
225 HD12 LEU 26 2HD1 LEU 26 -17.550 -7.361 -11.906
226 HD13 LEU 26 3HD1 LEU 26 -19.261 -7.084 -11.500
227 HD21 LEU 26 3HD2 LEU 26 -19.048 -7.786 -13.955
228 HD22 LEU 26 1HD2 LEU 26 -19.211 -9.524 -14.304
229 HD23 LEU 26 2HD2 LEU 26 -20.532 -8.652 -13.489
230 H ASN 27 HN ASN 27 -17.040 -11.910 -14.158
231 HA ASN 27 HA ASN 27 -15.731 -14.324 -13.572
232 HB2 ASN 27 2HB ASN 27 -16.492 -12.780 -15.919
233 HB3 ASN 27 3HB ASN 27 -14.817 -13.263 -16.092
234 HD21 ASN 27 1HD2 ASN 27 -14.725 -14.962 -17.345
235 HD22 ASN 27 2HD2 ASN 27 -15.694 -16.393 -17.244
236 H LEU 28 HN LEU 28 -13.736 -14.377 -12.524
237 HA LEU 28 HA LEU 28 -12.037 -12.062 -12.589
238 HB2 LEU 28 2HB LEU 28 -12.569 -14.030 -10.761
239 HB3 LEU 28 3HB LEU 28 -11.020 -14.546 -11.396
240 HG LEU 28 HG LEU 28 -10.131 -13.204 -9.852
241 HD11 LEU 28 1HD1 LEU 28 -11.081 -10.716 -11.197
242 HD12 LEU 28 2HD1 LEU 28 -9.454 -11.173 -10.640
243 HD13 LEU 28 3HD1 LEU 28 -10.109 -11.869 -12.142
244 HD21 LEU 28 3HD2 LEU 28 -12.114 -13.018 -8.551
245 HD22 LEU 28 1HD2 LEU 28 -11.421 -11.384 -8.686
246 HD23 LEU 28 2HD2 LEU 28 -12.825 -11.839 -9.680
247 H GLY 29 HN GLY 29 -9.518 -13.640 -12.460
248 HA2 GLY 29 2HA GLY 29 -9.182 -15.106 -14.860
249 HA3 GLY 29 1HA GLY 29 -8.718 -13.434 -15.113
250 HA PRO 30 HA PRO 30 -4.710 -14.595 -13.919
251 HB2 PRO 30 2HB PRO 30 -3.641 -12.085 -13.384
252 HB3 PRO 30 3HB PRO 30 -4.085 -12.668 -14.994
253 HG2 PRO 30 2HG PRO 30 -5.766 -10.892 -13.138
254 HG3 PRO 30 3HG PRO 30 -5.397 -10.622 -14.856
255 HD2 PRO 30 2HD PRO 30 -7.790 -11.779 -14.057
256 HD3 PRO 30 3HD PRO 30 -6.989 -12.313 -15.561
257 H ALA 31 HN ALA 31 -6.043 -15.659 -11.666
258 HA ALA 31 HA ALA 31 -4.305 -15.738 -9.704
259 HB1 ALA 31 1HB ALA 31 -5.367 -13.882 -8.091
260 HB2 ALA 31 2HB ALA 31 -4.002 -13.517 -9.173
261 HB3 ALA 31 3HB ALA 31 -5.657 -13.063 -9.644
262 H TRP 32 HN TRP 32 -7.609 -15.461 -10.791
263 HA TRP 32 HA TRP 32 -8.393 -17.305 -8.643
264 HB2 TRP 32 2HB TRP 32 -9.292 -14.741 -8.780
265 HB3 TRP 32 3HB TRP 32 -10.501 -15.562 -9.748
266 HD1 TRP 32 1HD TRP 32 -12.208 -17.183 -8.437
267 HE1 TRP 32 1HE TRP 32 -12.802 -17.650 -5.909
268 HE3 TRP 32 3HE TRP 32 -8.119 -14.860 -6.501
269 HZ2 TRP 32 2HZ TRP 32 -11.525 -17.010 -3.439
270 HZ3 TRP 32 3HZ TRP 32 -7.869 -14.825 -4.021
271 HH2 TRP 32 2HH TRP 32 -9.489 -15.850 -2.505
272 H GLY 33 HN GLY 33 -11.128 -17.331 -10.040
273 HA2 GLY 33 2HA GLY 33 -10.838 -18.106 -12.721
274 HA3 GLY 33 1HA GLY 33 -10.677 -19.535 -11.719
275 H GLY 34 HN GLY 34 -12.883 -17.862 -13.493
276 HA2 GLY 34 2HA GLY 34 -15.117 -17.261 -12.181
277 HA3 GLY 34 1HA GLY 34 -15.127 -18.208 -13.655
278 H ARG 35 HN ARG 35 -17.057 -18.397 -11.466
279 HA ARG 35 HA ARG 35 -18.208 -20.019 -10.579
280 HB2 ARG 35 2HB ARG 35 -17.051 -21.533 -12.354
281 HB3 ARG 35 3HB ARG 35 -15.954 -22.015 -11.076
282 HG2 ARG 35 2HG ARG 35 -18.746 -22.149 -10.174
283 HG3 ARG 35 3HG ARG 35 -18.505 -23.111 -11.620
284 HD2 ARG 35 2HD ARG 35 -16.241 -23.716 -10.072
285 HD3 ARG 35 3HD ARG 35 -17.513 -23.577 -8.875
286 HE ARG 35 HE ARG 35 -17.207 -25.715 -10.773
287 HH11 ARG 35 2HH2 ARG 35 -19.696 -23.755 -9.242
288 HH12 ARG 35 1HH2 ARG 35 -20.922 -24.971 -9.384
289 HH21 ARG 35 2HH1 ARG 35 -18.823 -27.320 -10.960
290 HH22 ARG 35 1HH1 ARG 35 -20.422 -27.012 -10.368
291 H CYS 36 HN CYS 36 -17.621 -18.656 -8.637
292 HA CYS 36 HA CYS 36 -15.446 -19.490 -7.017
293 HB2 CYS 36 3HB CYS 36 -17.450 -17.378 -7.015
294 HB3 CYS 36 2HB CYS 36 -17.195 -18.033 -5.410
Start of MODEL 9
1 H1 TRP 1 HN TRP 1 23.397 10.723 -13.640
2 HA TRP 1 HA TRP 1 21.234 9.781 -13.377
3 HB2 TRP 1 2HB TRP 1 21.126 8.297 -15.440
4 HB3 TRP 1 3HB TRP 1 21.676 9.949 -15.642
5 HD1 TRP 1 1HD TRP 1 22.837 6.374 -16.139
6 HE1 TRP 1 1HE TRP 1 25.238 6.248 -17.229
7 HE3 TRP 1 3HE TRP 1 23.912 11.316 -15.608
8 HZ2 TRP 1 2HZ TRP 1 27.271 8.185 -17.735
9 HZ3 TRP 1 3HZ TRP 1 26.126 12.116 -16.426
10 HH2 TRP 1 2HH TRP 1 27.778 10.641 -17.459
11 H GLU 2 HN GLU 2 22.355 8.719 -11.152
12 HA GLU 2 HA GLU 2 21.171 6.202 -11.038
13 HB2 GLU 2 2HB GLU 2 23.243 4.857 -10.502
14 HB3 GLU 2 3HB GLU 2 23.109 5.331 -12.184
15 HG2 GLU 2 2HG GLU 2 24.764 7.047 -11.959
16 HG3 GLU 2 3HG GLU 2 24.642 7.061 -10.211
17 H TRP 3 HN TRP 3 20.901 5.522 -8.843
18 HA TRP 3 HA TRP 3 22.432 6.728 -6.763
19 HB2 TRP 3 2HB TRP 3 19.704 7.513 -6.232
20 HB3 TRP 3 3HB TRP 3 21.187 8.442 -6.127
21 HD1 TRP 3 1HD TRP 3 18.352 7.654 -8.627
22 HE1 TRP 3 1HE TRP 3 18.294 9.418 -10.589
23 HE3 TRP 3 3HE TRP 3 22.669 10.010 -7.339
24 HZ2 TRP 3 2HZ TRP 3 20.023 11.551 -11.365
25 HZ3 TRP 3 3HZ TRP 3 23.414 11.924 -8.752
26 HH2 TRP 3 2HH TRP 3 22.167 12.702 -10.704
27 HA PRO 4 HA PRO 4 21.296 3.108 -4.755
28 HB2 PRO 4 2HB PRO 4 20.958 3.847 -2.096
29 HB3 PRO 4 3HB PRO 4 22.493 3.911 -2.971
30 HG2 PRO 4 2HG PRO 4 20.538 6.227 -2.488
31 HG3 PRO 4 3HG PRO 4 22.294 6.212 -2.204
32 HD2 PRO 4 2HD PRO 4 21.216 7.277 -4.528
33 HD3 PRO 4 3HD PRO 4 22.776 6.407 -4.573
34 H TRP 5 HN TRP 5 18.882 4.396 -2.356
35 HA TRP 5 HA TRP 5 16.825 3.601 -2.021
36 HB2 TRP 5 2HB TRP 5 15.215 4.300 -3.599
37 HB3 TRP 5 3HB TRP 5 16.508 5.482 -3.613
38 HD1 TRP 5 1HD TRP 5 18.195 5.373 -5.847
39 HE1 TRP 5 1HE TRP 5 17.777 4.671 -8.357
40 HE3 TRP 5 3HE TRP 5 13.925 2.759 -4.956
41 HZ2 TRP 5 2HZ TRP 5 15.754 3.137 -9.658
42 HZ3 TRP 5 3HZ TRP 5 12.791 1.690 -6.901
43 HH2 TRP 5 2HH TRP 5 13.639 1.847 -9.188
44 H ASN 6 HN ASN 6 18.538 1.485 -2.242
45 HA ASN 6 HA ASN 6 17.068 -0.328 -3.993
46 HB2 ASN 6 2HB ASN 6 19.205 -1.708 -4.028
47 HB3 ASN 6 3HB ASN 6 19.370 -0.143 -4.800
48 HD21 ASN 6 1HD2 ASN 6 21.507 -1.648 -3.845
49 HD22 ASN 6 2HD2 ASN 6 22.278 -0.816 -2.536
50 H ARG 7 HN ARG 7 15.590 -0.675 -2.106
51 HA ARG 7 HA ARG 7 16.688 -2.659 -0.359
52 HB2 ARG 7 2HB ARG 7 16.008 0.085 0.535
53 HB3 ARG 7 3HB ARG 7 15.173 -1.148 1.457
54 HG2 ARG 7 2HG ARG 7 17.681 -2.247 1.388
55 HG3 ARG 7 3HG ARG 7 18.102 -0.548 1.303
56 HD2 ARG 7 2HD ARG 7 17.365 -0.110 3.452
57 HD3 ARG 7 3HD ARG 7 16.019 -1.225 3.336
58 HE ARG 7 HE ARG 7 17.374 -2.919 4.217
59 HH11 ARG 7 2HH2 ARG 7 19.414 -0.290 3.074
60 HH12 ARG 7 1HH2 ARG 7 20.869 -0.964 3.730
61 HH21 ARG 7 2HH1 ARG 7 19.292 -3.808 5.083
62 HH22 ARG 7 1HH1 ARG 7 20.799 -2.979 4.881
63 H LYS 8 HN LYS 8 15.239 -4.112 -1.451
64 HA LYS 8 HA LYS 8 12.653 -3.679 -2.138
65 HB2 LYS 8 2HB LYS 8 14.405 -5.869 -1.960
66 HB3 LYS 8 3HB LYS 8 12.988 -6.349 -1.048
67 HG2 LYS 8 2HG LYS 8 11.848 -5.124 -3.271
68 HG3 LYS 8 3HG LYS 8 13.281 -5.860 -3.962
69 HD2 LYS 8 2HD LYS 8 12.638 -8.063 -3.222
70 HD3 LYS 8 3HD LYS 8 11.416 -7.429 -2.139
71 HE2 LYS 8 2HE LYS 8 9.867 -7.129 -3.828
72 HE3 LYS 8 3HE LYS 8 11.077 -6.645 -5.001
73 HZ1 LYS 8 3HZ LYS 8 10.643 -8.684 -5.775
74 HZ2 LYS 8 1HZ LYS 8 11.735 -9.165 -4.661
75 HZ3 LYS 8 2HZ LYS 8 10.138 -9.285 -4.343
76 HA HYP 9 HA HYP 9 11.358 -2.408 1.970
77 HB2 HYP 9 3HB HYP 9 9.760 -0.684 1.524
78 HB3 HYP 9 2HB HYP 9 8.881 -1.666 0.348
79 HG HYP 9 2HG HYP 9 10.118 -0.165 -1.017
80 HD22 HYP 9 2HD HYP 9 10.412 -2.579 -1.742
81 HD23 HYP 9 3HD HYP 9 12.076 -1.936 -1.764
82 HD1 HYP 9 1HG HYP 9 12.366 0.229 -0.605
83 H THR 10 HN THR 10 10.066 -3.217 3.620
84 HA THR 10 HA THR 10 8.432 -5.523 2.998
85 HB THR 10 HB THR 10 8.733 -4.177 5.708
86 HG1 THR 10 1HG THR 10 10.772 -5.572 5.692
87 HG21 THR 10 3HG2 THR 10 7.779 -6.724 4.730
88 HG22 THR 10 1HG2 THR 10 9.301 -7.009 5.610
89 HG23 THR 10 2HG2 THR 10 7.942 -6.196 6.423
90 H LYS 11 HN LYS 11 6.220 -5.658 4.166
91 HA LYS 11 HA LYS 11 4.099 -5.023 3.804
92 HB2 LYS 11 2HB LYS 11 4.157 -4.303 5.985
93 HB3 LYS 11 3HB LYS 11 5.367 -3.073 5.679
94 HG2 LYS 11 2HG LYS 11 3.808 -1.497 5.018
95 HG3 LYS 11 3HG LYS 11 2.769 -2.682 4.251
96 HD2 LYS 11 2HD LYS 11 1.842 -3.387 6.380
97 HD3 LYS 11 3HD LYS 11 3.062 -2.505 7.280
98 HE2 LYS 11 2HE LYS 11 1.188 -1.069 7.403
99 HE3 LYS 11 3HE LYS 11 2.120 -0.370 6.094
100 HZ1 LYS 11 3HZ LYS 11 0.531 -2.275 4.946
101 HZ2 LYS 11 1HZ LYS 11 -0.442 -1.506 6.007
102 HZ3 LYS 11 2HZ LYS 11 0.341 -0.655 4.854
103 H PHE 12 HN PHE 12 4.116 -4.809 1.497
104 HA PHE 12 HA PHE 12 5.004 -2.768 0.002
105 HB2 PHE 12 2HB PHE 12 2.709 -3.300 -1.291
106 HB3 PHE 12 3HB PHE 12 3.922 -4.554 -1.139
107 HD1 PHE 12 2HD PHE 12 0.904 -3.231 0.603
108 HD2 PHE 12 1HD PHE 12 3.329 -6.610 -0.245
109 HE1 PHE 12 2HE PHE 12 -0.772 -4.717 1.735
110 HE2 PHE 12 1HE PHE 12 1.653 -8.096 0.887
111 HZ PHE 12 HZ PHE 12 -0.377 -7.133 1.864
112 HA HYP 13 HA HYP 13 3.033 0.997 0.579
113 HB2 HYP 13 3HB HYP 13 2.968 2.198 -1.489
114 HB3 HYP 13 2HB HYP 13 1.934 0.996 -2.270
115 HG HYP 13 2HG HYP 13 4.080 0.545 -3.188
116 HD22 HYP 13 2HD HYP 13 2.967 -1.549 -2.287
117 HD23 HYP 13 3HD HYP 13 4.634 -1.666 -1.663
118 HD1 HYP 13 1HG HYP 13 5.949 0.422 -1.822
119 H ILE 14 HN ILE 14 1.140 2.314 0.949
120 HA ILE 14 HA ILE 14 -0.992 2.741 1.330
121 HB ILE 14 HB ILE 14 -0.831 1.913 -1.304
122 HG12 ILE 14 2HG1 ILE 14 -3.009 3.286 0.281
123 HG13 ILE 14 3HG1 ILE 14 -1.728 4.025 -0.658
124 HG21 ILE 14 1HG2 ILE 14 -1.801 -0.235 -0.882
125 HG22 ILE 14 2HG2 ILE 14 -3.125 0.486 0.065
126 HG23 ILE 14 3HG2 ILE 14 -3.022 0.777 -1.689
127 HD11 ILE 14 3HD1 ILE 14 -3.638 4.173 -2.064
128 HD12 ILE 14 1HD1 ILE 14 -2.740 2.776 -2.706
129 HD13 ILE 14 2HD1 ILE 14 -4.163 2.519 -1.668
130 HA HYP 15 HA HYP 15 -2.099 0.087 4.507
131 HB2 HYP 15 3HB HYP 15 -4.161 0.906 5.404
132 HB3 HYP 15 2HB HYP 15 -5.001 0.778 3.855
133 HG HYP 15 2HG HYP 15 -4.579 3.108 4.052
134 HD22 HYP 15 2HD HYP 15 -3.832 2.188 1.808
135 HD23 HYP 15 3HD HYP 15 -2.459 3.209 2.314
136 HD1 HYP 15 1HG HYP 15 -2.491 3.883 4.693
137 H SER 16 HN SER 16 -3.232 -1.891 5.187
138 HA SER 16 HA SER 16 -3.478 -3.818 3.260
139 HB2 SER 16 2HB SER 16 -4.764 -3.618 6.017
140 HB3 SER 16 3HB SER 16 -4.780 -5.080 5.050
141 HG SER 16 HG SER 16 -2.458 -5.112 5.103
142 HA HYP 17 HA HYP 17 -7.271 -3.503 1.238
143 HB2 HYP 17 3HB HYP 17 -7.948 -5.676 0.500
144 HB3 HYP 17 2HB HYP 17 -8.082 -6.303 2.147
145 HG HYP 17 2HG HYP 17 -6.038 -7.238 1.374
146 HD22 HYP 17 2HD HYP 17 -5.777 -6.103 3.628
147 HD23 HYP 17 3HD HYP 17 -4.364 -5.522 2.707
148 HD1 HYP 17 1HG HYP 17 -4.478 -5.925 0.270
149 H ASN 18 HN ASN 18 -9.272 -2.598 1.426
150 HA ASN 18 HA ASN 18 -11.085 -1.852 2.401
151 HB2 ASN 18 2HB ASN 18 -11.854 -4.062 1.559
152 HB3 ASN 18 3HB ASN 18 -11.345 -4.835 3.046
153 HD21 ASN 18 1HD2 ASN 18 -13.945 -3.874 1.437
154 HD22 ASN 18 2HD2 ASN 18 -15.046 -3.464 2.710
155 HA HYP 19 HA HYP 19 -9.236 -1.573 6.563
156 HB2 HYP 19 3HB HYP 19 -8.921 0.775 6.897
157 HB3 HYP 19 2HB HYP 19 -10.570 1.168 6.399
158 HG HYP 19 2HG HYP 19 -9.269 1.783 4.507
159 HD22 HYP 19 2HD HYP 19 -11.232 0.302 3.878
160 HD23 HYP 19 3HD HYP 19 -9.870 -0.406 2.968
161 HD1 HYP 19 1HG HYP 19 -7.632 0.363 3.685
162 H ARG 20 HN ARG 20 -12.357 -2.154 5.795
163 HA ARG 20 HA ARG 20 -12.982 -2.147 8.632
164 HB2 ARG 20 2HB ARG 20 -14.344 -0.465 7.134
165 HB3 ARG 20 3HB ARG 20 -15.146 -1.891 6.505
166 HG2 ARG 20 2HG ARG 20 -16.167 -2.404 8.560
167 HG3 ARG 20 3HG ARG 20 -14.935 -1.589 9.502
168 HD2 ARG 20 2HD ARG 20 -15.792 0.624 8.487
169 HD3 ARG 20 3HD ARG 20 -17.146 -0.287 7.849
170 HE ARG 20 HE ARG 20 -16.947 -0.921 10.611
171 HH11 ARG 20 2HH2 ARG 20 -17.653 1.873 8.592
172 HH12 ARG 20 1HH2 ARG 20 -18.667 2.630 9.774
173 HH21 ARG 20 2HH1 ARG 20 -18.286 0.077 12.170
174 HH22 ARG 20 1HH1 ARG 20 -19.030 1.602 11.823
175 H ASP 21 HN ASP 21 -11.758 -4.122 6.660
176 HA ASP 21 HA ASP 21 -13.880 -6.102 6.604
177 HB2 ASP 21 2HB ASP 21 -12.473 -5.531 4.526
178 HB3 ASP 21 3HB ASP 21 -11.105 -6.257 5.345
179 H LYS 22 HN LYS 22 -13.786 -7.804 8.095
180 HA LYS 22 HA LYS 22 -13.099 -8.951 9.866
181 HB2 LYS 22 2HB LYS 22 -11.101 -10.278 9.535
182 HB3 LYS 22 3HB LYS 22 -11.988 -10.150 8.029
183 HG2 LYS 22 2HG LYS 22 -10.447 -8.521 7.135
184 HG3 LYS 22 3HG LYS 22 -9.719 -8.235 8.703
185 HD2 LYS 22 2HD LYS 22 -9.420 -11.016 8.300
186 HD3 LYS 22 3HD LYS 22 -9.108 -10.320 6.724
187 HE2 LYS 22 2HE LYS 22 -7.653 -8.583 8.223
188 HE3 LYS 22 3HE LYS 22 -7.583 -9.970 9.292
189 HZ1 LYS 22 3HZ LYS 22 -7.075 -11.068 6.921
190 HZ2 LYS 22 1HZ LYS 22 -6.376 -9.605 6.731
191 HZ3 LYS 22 2HZ LYS 22 -5.925 -10.572 7.968
192 H TRP 23 HN TRP 23 -12.616 -5.941 9.796
193 HA TRP 23 HA TRP 23 -10.200 -5.503 11.223
194 HB2 TRP 23 2HB TRP 23 -10.639 -3.431 10.624
195 HB3 TRP 23 3HB TRP 23 -12.171 -3.949 9.946
196 HD1 TRP 23 1HD TRP 23 -14.264 -4.036 11.981
197 HE1 TRP 23 1HE TRP 23 -14.866 -2.245 13.823
198 HE3 TRP 23 3HE TRP 23 -9.734 -1.726 11.962
199 HZ2 TRP 23 2HZ TRP 23 -13.412 -0.111 15.038
200 HZ3 TRP 23 3HZ TRP 23 -9.408 0.203 13.506
201 HH2 TRP 23 2HH TRP 23 -11.156 1.017 15.009
202 H CYS 24 HN CYS 24 -10.711 -4.086 13.466
203 HA CYS 24 HA CYS 24 -11.305 -4.178 15.578
204 HB2 CYS 24 3HB CYS 24 -13.550 -4.025 15.375
205 HB3 CYS 24 2HB CYS 24 -13.671 -5.396 14.289
206 H ARG 25 HN ARG 25 -9.562 -5.275 16.492
207 HA ARG 25 HA ARG 25 -9.570 -8.156 16.223
208 HB2 ARG 25 2HB ARG 25 -7.513 -6.376 15.935
209 HB3 ARG 25 3HB ARG 25 -7.329 -6.737 17.640
210 HG2 ARG 25 2HG ARG 25 -6.413 -8.760 17.178
211 HG3 ARG 25 3HG ARG 25 -7.791 -9.217 16.197
212 HD2 ARG 25 2HD ARG 25 -6.709 -7.666 14.358
213 HD3 ARG 25 3HD ARG 25 -5.252 -7.795 15.323
214 HE ARG 25 HE ARG 25 -6.365 -10.419 14.915
215 HH11 ARG 25 2HH2 ARG 25 -4.644 -7.872 13.202
216 HH12 ARG 25 1HH2 ARG 25 -3.906 -8.956 12.069
217 HH21 ARG 25 2HH1 ARG 25 -5.392 -11.850 13.422
218 HH22 ARG 25 1HH1 ARG 25 -4.334 -11.234 12.196
219 H LEU 26 HN LEU 26 -10.336 -5.581 18.419
220 HA LEU 26 HA LEU 26 -10.183 -7.427 20.696
221 HB2 LEU 26 2HB LEU 26 -10.256 -4.406 20.651
222 HB3 LEU 26 3HB LEU 26 -10.238 -5.402 22.093
223 HG LEU 26 HG LEU 26 -8.030 -4.843 21.966
224 HD11 LEU 26 1HD1 LEU 26 -7.846 -7.171 20.059
225 HD12 LEU 26 2HD1 LEU 26 -6.766 -6.728 21.402
226 HD13 LEU 26 3HD1 LEU 26 -8.390 -7.373 21.741
227 HD21 LEU 26 3HD2 LEU 26 -6.751 -4.426 19.955
228 HD22 LEU 26 1HD2 LEU 26 -8.093 -5.009 18.940
229 HD23 LEU 26 2HD2 LEU 26 -8.282 -3.518 19.894
230 H ASN 27 HN ASN 27 -12.009 -6.140 22.396
231 HA ASN 27 HA ASN 27 -14.397 -7.141 21.293
232 HB2 ASN 27 2HB ASN 27 -13.392 -6.376 23.885
233 HB3 ASN 27 3HB ASN 27 -14.868 -5.467 23.627
234 HD21 ASN 27 1HD2 ASN 27 -14.154 -7.758 25.389
235 HD22 ASN 27 2HD2 ASN 27 -15.342 -8.985 25.100
236 H LEU 28 HN LEU 28 -15.778 -5.970 19.952
237 HA LEU 28 HA LEU 28 -15.414 -3.099 19.796
238 HB2 LEU 28 2HB LEU 28 -15.768 -5.000 17.910
239 HB3 LEU 28 3HB LEU 28 -17.428 -4.482 18.128
240 HG LEU 28 HG LEU 28 -16.605 -2.097 17.754
241 HD11 LEU 28 1HD1 LEU 28 -14.080 -3.601 17.369
242 HD12 LEU 28 2HD1 LEU 28 -14.431 -2.325 16.178
243 HD13 LEU 28 3HD1 LEU 28 -14.359 -1.929 17.912
244 HD21 LEU 28 3HD2 LEU 28 -16.186 -2.750 15.171
245 HD22 LEU 28 1HD2 LEU 28 -16.899 -4.270 15.763
246 HD23 LEU 28 2HD2 LEU 28 -17.790 -2.740 15.945
247 H GLY 29 HN GLY 29 -18.072 -2.389 18.993
248 HA2 GLY 29 2HA GLY 29 -19.904 -3.170 21.072
249 HA3 GLY 29 1HA GLY 29 -19.224 -1.572 21.312
250 HA PRO 30 HA PRO 30 -22.492 0.106 19.043
251 HB2 PRO 30 2HB PRO 30 -21.354 2.487 18.167
252 HB3 PRO 30 3HB PRO 30 -21.741 2.116 19.853
253 HG2 PRO 30 2HG PRO 30 -19.012 1.840 18.473
254 HG3 PRO 30 3HG PRO 30 -19.371 2.643 20.018
255 HD2 PRO 30 2HD PRO 30 -18.412 0.040 19.930
256 HD3 PRO 30 3HD PRO 30 -19.598 0.523 21.177
257 H ALA 31 HN ALA 31 -22.003 -2.010 17.268
258 HA ALA 31 HA ALA 31 -22.876 -1.276 14.904
259 HB1 ALA 31 1HB ALA 31 -20.012 -0.420 15.154
260 HB2 ALA 31 2HB ALA 31 -20.544 -1.106 13.600
261 HB3 ALA 31 3HB ALA 31 -21.355 0.334 14.260
262 H TRP 32 HN TRP 32 -20.665 -3.156 16.849
263 HA TRP 32 HA TRP 32 -21.237 -5.459 15.131
264 HB2 TRP 32 2HB TRP 32 -18.784 -4.292 15.099
265 HB3 TRP 32 3HB TRP 32 -18.579 -5.430 16.418
266 HD1 TRP 32 1HD TRP 32 -18.457 -8.037 15.758
267 HE1 TRP 32 1HE TRP 32 -18.249 -9.412 13.516
268 HE3 TRP 32 3HE TRP 32 -19.594 -4.166 12.662
269 HZ2 TRP 32 2HZ TRP 32 -18.575 -8.742 10.761
270 HZ3 TRP 32 3HZ TRP 32 -19.627 -4.612 10.210
271 HH2 TRP 32 2HH TRP 32 -19.142 -6.806 9.248
272 H GLY 33 HN GLY 33 -19.431 -7.014 17.067
273 HA2 GLY 33 2HA GLY 33 -19.630 -7.109 19.583
274 HA3 GLY 33 1HA GLY 33 -21.360 -7.087 19.304
275 H GLY 34 HN GLY 34 -19.044 -9.153 20.188
276 HA2 GLY 34 2HA GLY 34 -19.732 -11.471 20.343
277 HA3 GLY 34 1HA GLY 34 -20.209 -11.402 18.659
278 H ARG 35 HN ARG 35 -18.781 -13.184 18.139
279 HA ARG 35 HA ARG 35 -16.109 -13.193 18.785
280 HB2 ARG 35 2HB ARG 35 -17.853 -14.563 16.756
281 HB3 ARG 35 3HB ARG 35 -16.128 -14.627 16.458
282 HG2 ARG 35 2HG ARG 35 -16.212 -16.458 17.841
283 HG3 ARG 35 3HG ARG 35 -16.135 -15.257 19.115
284 HD2 ARG 35 2HD ARG 35 -18.724 -15.191 19.020
285 HD3 ARG 35 3HD ARG 35 -18.630 -16.617 18.007
286 HE ARG 35 HE ARG 35 -17.108 -16.810 20.522
287 HH11 ARG 35 2HH2 ARG 35 -20.180 -17.405 18.913
288 HH12 ARG 35 1HH2 ARG 35 -20.692 -18.604 20.054
289 HH21 ARG 35 2HH1 ARG 35 -17.782 -18.390 22.028
290 HH22 ARG 35 1HH1 ARG 35 -19.319 -19.168 21.838
291 H CYS 36 HN CYS 36 -14.791 -11.433 18.301
292 HA CYS 36 HA CYS 36 -14.708 -10.670 15.479
293 HB2 CYS 36 3HB CYS 36 -15.936 -8.993 16.930
294 HB3 CYS 36 2HB CYS 36 -14.413 -8.697 17.746
Start of MODEL 10
1 H1 TRP 1 HN TRP 1 29.528 -9.445 7.078
2 HA TRP 1 HA TRP 1 30.805 -7.041 6.845
3 HB2 TRP 1 2HB TRP 1 28.847 -8.529 5.141
4 HB3 TRP 1 3HB TRP 1 29.312 -6.903 4.683
5 HD1 TRP 1 1HD TRP 1 32.150 -6.578 4.397
6 HE1 TRP 1 1HE TRP 1 33.955 -8.187 3.341
7 HE3 TRP 1 3HE TRP 1 29.370 -10.818 4.796
8 HZ2 TRP 1 2HZ TRP 1 34.017 -10.990 2.804
9 HZ3 TRP 1 3HZ TRP 1 30.377 -12.948 3.982
10 HH2 TRP 1 2HH TRP 1 32.618 -13.077 3.014
11 H GLU 2 HN GLU 2 27.215 -7.444 6.409
12 HA GLU 2 HA GLU 2 25.607 -5.965 6.626
13 HB2 GLU 2 2HB GLU 2 25.308 -5.144 8.998
14 HB3 GLU 2 3HB GLU 2 25.615 -6.865 8.866
15 HG2 GLU 2 2HG GLU 2 27.977 -6.554 9.460
16 HG3 GLU 2 3HG GLU 2 27.808 -4.810 9.404
17 H TRP 3 HN TRP 3 27.309 -4.715 5.018
18 HA TRP 3 HA TRP 3 27.464 -2.001 6.134
19 HB2 TRP 3 2HB TRP 3 29.526 -3.431 4.453
20 HB3 TRP 3 3HB TRP 3 29.495 -1.695 4.681
21 HD1 TRP 3 1HD TRP 3 31.249 -4.523 6.070
22 HE1 TRP 3 1HE TRP 3 32.192 -4.166 8.508
23 HE3 TRP 3 3HE TRP 3 28.416 -0.437 7.132
24 HZ2 TRP 3 2HZ TRP 3 31.660 -2.256 10.561
25 HZ3 TRP 3 3HZ TRP 3 28.689 0.614 9.376
26 HH2 TRP 3 2HH TRP 3 30.243 -0.231 11.063
27 HA PRO 4 HA PRO 4 24.807 -2.801 2.352
28 HB2 PRO 4 2HB PRO 4 22.520 -1.522 3.281
29 HB3 PRO 4 3HB PRO 4 22.991 -3.172 3.704
30 HG2 PRO 4 2HG PRO 4 23.484 -0.626 5.346
31 HG3 PRO 4 3HG PRO 4 22.787 -2.161 5.908
32 HD2 PRO 4 2HD PRO 4 25.471 -1.569 6.288
33 HD3 PRO 4 3HD PRO 4 24.958 -3.245 5.942
34 H TRP 5 HN TRP 5 26.189 -1.379 0.831
35 HA TRP 5 HA TRP 5 25.627 1.460 1.072
36 HB2 TRP 5 2HB TRP 5 27.278 1.655 -0.767
37 HB3 TRP 5 3HB TRP 5 27.903 0.933 0.704
38 HD1 TRP 5 1HD TRP 5 28.247 -1.862 0.588
39 HE1 TRP 5 1HE TRP 5 28.921 -3.472 -1.390
40 HE3 TRP 5 3HE TRP 5 27.051 1.372 -3.148
41 HZ2 TRP 5 2HZ TRP 5 28.880 -3.219 -4.232
42 HZ3 TRP 5 3HZ TRP 5 27.398 0.612 -5.497
43 HH2 TRP 5 2HH TRP 5 28.278 -1.595 -6.067
44 H ASN 6 HN ASN 6 23.291 0.018 0.621
45 HA ASN 6 HA ASN 6 22.837 0.578 -2.204
46 HB2 ASN 6 2HB ASN 6 22.747 -1.901 -1.592
47 HB3 ASN 6 3HB ASN 6 21.418 -1.543 -0.508
48 HD21 ASN 6 1HD2 ASN 6 20.865 -3.326 -2.313
49 HD22 ASN 6 2HD2 ASN 6 19.883 -2.731 -3.610
50 H ARG 7 HN ARG 7 21.366 2.272 -2.417
51 HA ARG 7 HA ARG 7 19.340 2.483 -0.347
52 HB2 ARG 7 2HB ARG 7 21.448 4.410 -0.996
53 HB3 ARG 7 3HB ARG 7 19.874 5.130 -1.275
54 HG2 ARG 7 2HG ARG 7 19.468 3.836 1.148
55 HG3 ARG 7 3HG ARG 7 21.151 4.307 1.282
56 HD2 ARG 7 2HD ARG 7 19.757 6.559 0.172
57 HD3 ARG 7 3HD ARG 7 18.782 5.972 1.506
58 HE ARG 7 HE ARG 7 21.313 5.965 2.590
59 HH11 ARG 7 2HH2 ARG 7 19.458 8.409 0.867
60 HH12 ARG 7 1HH2 ARG 7 20.219 9.739 1.674
61 HH21 ARG 7 2HH1 ARG 7 22.317 7.719 3.656
62 HH22 ARG 7 1HH1 ARG 7 21.857 9.344 3.271
63 H LYS 8 HN LYS 8 17.889 1.440 -1.901
64 HA LYS 8 HA LYS 8 16.963 3.323 -3.930
65 HB2 LYS 8 2HB LYS 8 18.503 1.110 -4.605
66 HB3 LYS 8 3HB LYS 8 16.863 0.545 -4.848
67 HG2 LYS 8 2HG LYS 8 17.756 3.250 -5.914
68 HG3 LYS 8 3HG LYS 8 18.055 1.782 -6.822
69 HD2 LYS 8 2HD LYS 8 15.812 1.451 -7.313
70 HD3 LYS 8 3HD LYS 8 15.265 2.122 -5.790
71 HE2 LYS 8 2HE LYS 8 16.590 4.184 -7.392
72 HE3 LYS 8 3HE LYS 8 15.310 3.422 -8.316
73 HZ1 LYS 8 3HZ LYS 8 13.910 3.767 -6.280
74 HZ2 LYS 8 1HZ LYS 8 15.085 4.753 -5.719
75 HZ3 LYS 8 2HZ LYS 8 14.310 5.116 -7.110
76 HA HYP 9 HA HYP 9 13.924 1.605 -0.870
77 HB2 HYP 9 3HB HYP 9 13.200 3.469 0.444
78 HB3 HYP 9 2HB HYP 9 13.018 4.518 -0.966
79 HG HYP 9 2HG HYP 9 15.048 5.271 0.012
80 HD22 HYP 9 2HD HYP 9 15.298 4.806 -2.469
81 HD23 HYP 9 3HD HYP 9 16.745 4.041 -1.758
82 HD1 HYP 9 1HG HYP 9 16.665 3.757 0.697
83 H THR 10 HN THR 10 11.873 0.811 -1.191
84 HA THR 10 HA THR 10 10.326 2.035 -3.381
85 HB THR 10 HB THR 10 10.579 -0.119 -4.196
86 HG1 THR 10 1HG THR 10 8.415 -0.417 -3.736
87 HG21 THR 10 3HG2 THR 10 10.889 -2.125 -2.677
88 HG22 THR 10 1HG2 THR 10 12.190 -0.923 -2.506
89 HG23 THR 10 2HG2 THR 10 10.899 -1.017 -1.284
90 H LYS 11 HN LYS 11 7.857 1.504 -3.063
91 HA LYS 11 HA LYS 11 7.166 1.742 -0.242
92 HB2 LYS 11 2HB LYS 11 7.495 4.050 -1.246
93 HB3 LYS 11 3HB LYS 11 6.134 3.712 -2.297
94 HG2 LYS 11 2HG LYS 11 5.346 2.982 0.373
95 HG3 LYS 11 3HG LYS 11 6.106 4.558 0.471
96 HD2 LYS 11 2HD LYS 11 4.616 5.244 -1.535
97 HD3 LYS 11 3HD LYS 11 3.736 3.751 -1.267
98 HE2 LYS 11 2HE LYS 11 4.058 5.095 1.282
99 HE3 LYS 11 3HE LYS 11 3.440 6.253 0.119
100 HZ1 LYS 11 3HZ LYS 11 2.233 3.779 1.038
101 HZ2 LYS 11 1HZ LYS 11 1.549 5.244 0.812
102 HZ3 LYS 11 2HZ LYS 11 1.882 4.292 -0.473
103 H PHE 12 HN PHE 12 6.861 -0.614 -1.354
104 HA PHE 12 HA PHE 12 4.695 -1.000 -3.043
105 HB2 PHE 12 2HB PHE 12 6.425 -2.498 -1.112
106 HB3 PHE 12 3HB PHE 12 4.846 -3.227 -1.322
107 HD1 PHE 12 1HD PHE 12 6.468 -1.402 -4.057
108 HD2 PHE 12 2HD PHE 12 5.744 -5.218 -2.351
109 HE1 PHE 12 1HE PHE 12 7.254 -2.497 -6.175
110 HE2 PHE 12 2HE PHE 12 6.531 -6.314 -4.467
111 HZ PHE 12 HZ PHE 12 7.276 -4.940 -6.354
112 HA HYP 13 HA HYP 13 2.583 -2.600 1.365
113 HB2 HYP 13 3HB HYP 13 3.044 -1.332 3.341
114 HB3 HYP 13 2HB HYP 13 3.115 0.199 2.461
115 HG HYP 13 2HG HYP 13 5.403 -0.301 2.865
116 HD22 HYP 13 2HD HYP 13 4.962 0.258 0.430
117 HD23 HYP 13 3HD HYP 13 5.997 -1.193 0.340
118 HD1 HYP 13 1HG HYP 13 6.238 -2.427 2.469
119 H ILE 14 HN ILE 14 0.391 -2.500 1.333
120 HA ILE 14 HA ILE 14 -0.795 0.076 0.564
121 HB ILE 14 HB ILE 14 -2.212 -2.507 0.080
122 HG12 ILE 14 2HG1 ILE 14 -1.188 -2.275 -2.323
123 HG13 ILE 14 3HG1 ILE 14 0.126 -1.463 -1.495
124 HG21 ILE 14 1HG2 ILE 14 -2.355 0.321 -0.860
125 HG22 ILE 14 2HG2 ILE 14 -2.859 -0.967 -1.980
126 HG23 ILE 14 3HG2 ILE 14 -3.652 -0.805 -0.395
127 HD11 ILE 14 3HD1 ILE 14 -0.435 -4.298 -1.646
128 HD12 ILE 14 1HD1 ILE 14 0.973 -3.481 -0.927
129 HD13 ILE 14 2HD1 ILE 14 -0.478 -3.786 0.058
130 HA HYP 15 HA HYP 15 -2.291 0.486 4.567
131 HB2 HYP 15 3HB HYP 15 -3.958 2.201 4.486
132 HB3 HYP 15 2HB HYP 15 -4.928 1.338 3.286
133 HG HYP 15 2HG HYP 15 -3.858 3.030 2.005
134 HD22 HYP 15 2HD HYP 15 -3.588 0.730 0.967
135 HD23 HYP 15 3HD HYP 15 -1.946 1.424 0.868
136 HD1 HYP 15 1HG HYP 15 -1.590 3.443 2.250
137 H SER 16 HN SER 16 -4.404 0.131 6.008
138 HA SER 16 HA SER 16 -5.025 -2.458 6.227
139 HB2 SER 16 2HB SER 16 -5.974 -0.004 7.299
140 HB3 SER 16 3HB SER 16 -7.408 -0.861 6.770
141 HG SER 16 HG SER 16 -6.143 -2.771 7.951
142 HA HYP 17 HA HYP 17 -6.807 -2.818 2.086
143 HB2 HYP 17 3HB HYP 17 -6.131 -5.004 1.388
144 HB3 HYP 17 2HB HYP 17 -6.685 -5.762 2.885
145 HG HYP 17 2HG HYP 17 -4.326 -5.678 3.160
146 HD22 HYP 17 2HD HYP 17 -5.555 -4.729 5.166
147 HD23 HYP 17 3HD HYP 17 -4.268 -3.532 4.867
148 HD1 HYP 17 1HG HYP 17 -3.145 -3.744 2.672
149 H ASN 18 HN ASN 18 -8.910 -2.225 1.899
150 HA ASN 18 HA ASN 18 -10.765 -4.309 2.012
151 HB2 ASN 18 2HB ASN 18 -11.077 -3.896 4.353
152 HB3 ASN 18 3HB ASN 18 -10.894 -2.164 4.166
153 HD21 ASN 18 1HD2 ASN 18 -13.035 -4.627 4.619
154 HD22 ASN 18 2HD2 ASN 18 -14.516 -3.880 4.118
155 HA HYP 19 HA HYP 19 -12.232 -1.913 -1.319
156 HB2 HYP 19 3HB HYP 19 -14.264 -2.937 -2.061
157 HB3 HYP 19 2HB HYP 19 -15.050 -2.742 -0.490
158 HG HYP 19 2HG HYP 19 -14.475 -5.048 -0.526
159 HD22 HYP 19 2HD HYP 19 -13.708 -3.905 1.605
160 HD23 HYP 19 3HD HYP 19 -12.288 -4.868 1.119
161 HD1 HYP 19 1HG HYP 19 -12.364 -5.731 -1.198
162 H ARG 20 HN ARG 20 -11.796 0.250 -0.723
163 HA ARG 20 HA ARG 20 -14.025 1.809 -0.964
164 HB2 ARG 20 2HB ARG 20 -14.120 1.066 1.584
165 HB3 ARG 20 3HB ARG 20 -12.851 2.254 1.802
166 HG2 ARG 20 2HG ARG 20 -14.426 3.880 1.875
167 HG3 ARG 20 3HG ARG 20 -14.816 3.545 0.199
168 HD2 ARG 20 2HD ARG 20 -16.884 2.953 0.961
169 HD3 ARG 20 3HD ARG 20 -16.128 1.469 1.510
170 HE ARG 20 HE ARG 20 -15.627 3.278 3.570
171 HH11 ARG 20 2HH2 ARG 20 -18.518 2.110 1.940
172 HH12 ARG 20 1HH2 ARG 20 -19.537 2.313 3.326
173 HH21 ARG 20 2HH1 ARG 20 -16.970 3.547 5.399
174 HH22 ARG 20 1HH1 ARG 20 -18.650 3.137 5.307
175 H ASP 21 HN ASP 21 -11.389 1.466 -2.091
176 HA ASP 21 HA ASP 21 -10.490 4.176 -1.818
177 HB2 ASP 21 2HB ASP 21 -9.130 2.029 -0.505
178 HB3 ASP 21 3HB ASP 21 -8.151 2.437 -1.899
179 H LYS 22 HN LYS 22 -10.441 4.810 -3.980
180 HA LYS 22 HA LYS 22 -10.025 4.808 -6.149
181 HB2 LYS 22 2HB LYS 22 -7.790 3.723 -5.166
182 HB3 LYS 22 3HB LYS 22 -8.346 2.336 -6.081
183 HG2 LYS 22 2HG LYS 22 -8.606 4.854 -7.603
184 HG3 LYS 22 3HG LYS 22 -6.953 4.547 -7.109
185 HD2 LYS 22 2HD LYS 22 -7.308 2.131 -8.014
186 HD3 LYS 22 3HD LYS 22 -8.763 2.748 -8.770
187 HE2 LYS 22 2HE LYS 22 -7.353 3.243 -10.514
188 HE3 LYS 22 3HE LYS 22 -6.988 4.673 -9.569
189 HZ1 LYS 22 3HZ LYS 22 -5.333 2.925 -8.488
190 HZ2 LYS 22 1HZ LYS 22 -5.386 2.331 -10.008
191 HZ3 LYS 22 2HZ LYS 22 -4.926 3.876 -9.751
192 H TRP 23 HN TRP 23 -11.934 2.764 -4.554
193 HA TRP 23 HA TRP 23 -12.425 0.706 -6.423
194 HB2 TRP 23 2HB TRP 23 -13.633 -0.059 -4.750
195 HB3 TRP 23 3HB TRP 23 -13.260 1.393 -3.842
196 HD1 TRP 23 1HD TRP 23 -15.133 3.558 -4.538
197 HE1 TRP 23 1HE TRP 23 -17.767 3.466 -4.668
198 HE3 TRP 23 3HE TRP 23 -15.453 -1.482 -5.134
199 HZ2 TRP 23 2HZ TRP 23 -19.647 1.345 -4.997
200 HZ3 TRP 23 3HZ TRP 23 -17.725 -2.483 -5.353
201 HH2 TRP 23 2HH TRP 23 -19.777 -1.156 -5.291
202 H CYS 24 HN CYS 24 -15.056 0.702 -7.115
203 HA CYS 24 HA CYS 24 -16.571 1.516 -8.481
204 HB2 CYS 24 3HB CYS 24 -17.221 3.360 -7.363
205 HB3 CYS 24 2HB CYS 24 -15.592 3.988 -7.204
206 H ARG 25 HN ARG 25 -15.769 0.557 -10.387
207 HA ARG 25 HA ARG 25 -13.616 1.900 -11.731
208 HB2 ARG 25 2HB ARG 25 -14.188 -0.744 -11.472
209 HB3 ARG 25 3HB ARG 25 -15.050 -0.445 -12.967
210 HG2 ARG 25 2HG ARG 25 -12.538 0.869 -13.260
211 HG3 ARG 25 3HG ARG 25 -12.174 -0.678 -12.523
212 HD2 ARG 25 2HD ARG 25 -13.038 -1.910 -14.341
213 HD3 ARG 25 3HD ARG 25 -14.100 -0.615 -14.854
214 HE ARG 25 HE ARG 25 -11.414 0.318 -15.094
215 HH11 ARG 25 2HH2 ARG 25 -13.560 -2.055 -16.562
216 HH12 ARG 25 1HH2 ARG 25 -12.762 -2.014 -18.099
217 HH21 ARG 25 2HH1 ARG 25 -10.361 0.372 -17.121
218 HH22 ARG 25 1HH1 ARG 25 -10.930 -0.625 -18.419
219 H LEU 26 HN LEU 26 -17.102 1.727 -11.736
220 HA LEU 26 HA LEU 26 -17.155 3.016 -14.377
221 HB2 LEU 26 2HB LEU 26 -19.277 1.356 -13.007
222 HB3 LEU 26 3HB LEU 26 -19.488 2.213 -14.521
223 HG LEU 26 HG LEU 26 -17.248 0.236 -14.304
224 HD11 LEU 26 1HD1 LEU 26 -19.440 -0.742 -13.344
225 HD12 LEU 26 2HD1 LEU 26 -20.012 -0.708 -15.029
226 HD13 LEU 26 3HD1 LEU 26 -18.568 -1.656 -14.599
227 HD21 LEU 26 3HD2 LEU 26 -17.139 1.170 -16.375
228 HD22 LEU 26 1HD2 LEU 26 -18.282 -0.149 -16.726
229 HD23 LEU 26 2HD2 LEU 26 -18.886 1.502 -16.447
230 H ASN 27 HN ASN 27 -19.714 4.128 -14.254
231 HA ASN 27 HA ASN 27 -19.143 6.383 -12.681
232 HB2 ASN 27 2HB ASN 27 -20.980 5.634 -14.789
233 HB3 ASN 27 3HB ASN 27 -21.928 6.323 -13.486
234 HD21 ASN 27 1HD2 ASN 27 -19.570 6.862 -15.944
235 HD22 ASN 27 2HD2 ASN 27 -19.440 8.584 -15.818
236 H LEU 28 HN LEU 28 -19.701 6.684 -10.514
237 HA LEU 28 HA LEU 28 -21.337 4.680 -9.244
238 HB2 LEU 28 2HB LEU 28 -19.128 6.033 -8.482
239 HB3 LEU 28 3HB LEU 28 -20.361 7.034 -7.741
240 HG LEU 28 HG LEU 28 -21.284 4.892 -6.696
241 HD11 LEU 28 1HD1 LEU 28 -18.993 3.810 -8.174
242 HD12 LEU 28 2HD1 LEU 28 -19.039 3.327 -6.461
243 HD13 LEU 28 3HD1 LEU 28 -20.432 2.995 -7.518
244 HD21 LEU 28 3HD2 LEU 28 -19.334 4.856 -4.983
245 HD22 LEU 28 1HD2 LEU 28 -18.671 6.185 -5.964
246 HD23 LEU 28 2HD2 LEU 28 -20.274 6.351 -5.207
247 H GLY 29 HN GLY 29 -22.550 6.265 -7.206
248 HA2 GLY 29 2HA GLY 29 -24.245 8.199 -8.582
249 HA3 GLY 29 1HA GLY 29 -25.027 6.735 -8.019
250 HA PRO 30 HA PRO 30 -25.946 8.798 -4.327
251 HB2 PRO 30 2HB PRO 30 -26.367 6.628 -2.639
252 HB3 PRO 30 3HB PRO 30 -27.421 7.073 -3.989
253 HG2 PRO 30 2HG PRO 30 -25.199 4.954 -3.994
254 HG3 PRO 30 3HG PRO 30 -26.875 4.771 -4.558
255 HD2 PRO 30 2HD PRO 30 -24.806 5.313 -6.327
256 HD3 PRO 30 3HD PRO 30 -26.428 6.016 -6.592
257 H ALA 31 HN ALA 31 -23.209 9.509 -4.435
258 HA ALA 31 HA ALA 31 -22.448 10.043 -1.988
259 HB1 ALA 31 1HB ALA 31 -22.484 7.967 -0.975
260 HB2 ALA 31 2HB ALA 31 -22.032 7.109 -2.468
261 HB3 ALA 31 3HB ALA 31 -20.798 7.996 -1.541
262 H TRP 32 HN TRP 32 -21.691 8.929 -5.202
263 HA TRP 32 HA TRP 32 -19.316 10.632 -5.156
264 HB2 TRP 32 2HB TRP 32 -19.048 7.916 -5.057
265 HB3 TRP 32 3HB TRP 32 -19.049 8.196 -6.787
266 HD1 TRP 32 1HD TRP 32 -17.073 10.049 -7.657
267 HE1 TRP 32 1HE TRP 32 -14.599 10.457 -6.836
268 HE3 TRP 32 3HE TRP 32 -17.659 7.838 -3.116
269 HZ2 TRP 32 2HZ TRP 32 -13.196 9.823 -4.432
270 HZ3 TRP 32 3HZ TRP 32 -15.687 7.775 -1.592
271 HH2 TRP 32 2HH TRP 32 -13.512 8.721 -2.187
272 H GLY 33 HN GLY 33 -18.853 9.584 -8.015
273 HA2 GLY 33 2HA GLY 33 -21.278 10.387 -9.405
274 HA3 GLY 33 1HA GLY 33 -19.929 11.499 -9.529
275 H GLY 34 HN GLY 34 -18.918 11.237 -11.470
276 HA2 GLY 34 2HA GLY 34 -18.570 8.473 -12.461
277 HA3 GLY 34 1HA GLY 34 -18.731 9.898 -13.468
278 H ARG 35 HN ARG 35 -16.640 8.997 -14.406
279 HA ARG 35 HA ARG 35 -14.462 8.810 -14.510
280 HB2 ARG 35 2HB ARG 35 -14.838 11.221 -15.003
281 HB3 ARG 35 3HB ARG 35 -14.682 11.614 -13.302
282 HG2 ARG 35 2HG ARG 35 -12.541 12.100 -14.268
283 HG3 ARG 35 3HG ARG 35 -12.325 10.602 -13.386
284 HD2 ARG 35 2HD ARG 35 -13.135 9.685 -15.892
285 HD3 ARG 35 3HD ARG 35 -12.190 11.101 -16.308
286 HE ARG 35 HE ARG 35 -11.175 8.606 -15.204
287 HH11 ARG 35 2HH2 ARG 35 -10.579 12.069 -15.382
288 HH12 ARG 35 1HH2 ARG 35 -8.877 11.920 -15.100
289 HH21 ARG 35 2HH1 ARG 35 -8.929 8.408 -14.834
290 HH22 ARG 35 1HH1 ARG 35 -7.931 9.823 -14.787
291 H CYS 36 HN CYS 36 -14.370 7.109 -12.774
292 HA CYS 36 HA CYS 36 -13.558 8.046 -10.167
293 HB2 CYS 36 3HB CYS 36 -14.676 5.606 -11.284
294 HB3 CYS 36 2HB CYS 36 -13.303 5.266 -10.250
Start of MODEL 11
1 H1 TRP 1 HN TRP 1 24.948 -12.392 -7.047
2 HA TRP 1 HA TRP 1 23.435 -14.839 -6.599
3 HB2 TRP 1 2HB TRP 1 26.349 -14.108 -6.455
4 HB3 TRP 1 3HB TRP 1 25.744 -15.583 -5.728
5 HD1 TRP 1 1HD TRP 1 23.629 -16.292 -8.156
6 HE1 TRP 1 1HE TRP 1 24.500 -17.258 -10.452
7 HE3 TRP 1 3HE TRP 1 28.405 -14.619 -7.652
8 HZ2 TRP 1 2HZ TRP 1 27.029 -17.215 -11.771
9 HZ3 TRP 1 3HZ TRP 1 30.012 -15.123 -9.489
10 HH2 TRP 1 2HH TRP 1 29.391 -16.373 -11.496
11 H GLU 2 HN GLU 2 21.982 -14.256 -4.926
12 HA GLU 2 HA GLU 2 23.332 -13.696 -2.412
13 HB2 GLU 2 2HB GLU 2 21.548 -12.124 -1.763
14 HB3 GLU 2 3HB GLU 2 22.355 -11.572 -3.216
15 HG2 GLU 2 2HG GLU 2 20.323 -11.466 -4.216
16 HG3 GLU 2 3HG GLU 2 20.279 -13.217 -4.182
17 H TRP 3 HN TRP 3 22.811 -15.194 -0.872
18 HA TRP 3 HA TRP 3 21.256 -17.377 -1.361
19 HB2 TRP 3 2HB TRP 3 22.547 -16.149 0.939
20 HB3 TRP 3 3HB TRP 3 21.079 -16.993 1.389
21 HD1 TRP 3 1HD TRP 3 22.308 -19.084 2.528
22 HE1 TRP 3 1HE TRP 3 23.736 -21.139 1.692
23 HE3 TRP 3 3HE TRP 3 23.098 -17.296 -2.166
24 HZ2 TRP 3 2HZ TRP 3 25.008 -21.773 -0.784
25 HZ3 TRP 3 3HZ TRP 3 24.444 -18.695 -3.731
26 HH2 TRP 3 2HH TRP 3 25.386 -20.863 -3.105
27 HA PRO 4 HA PRO 4 17.148 -16.085 -1.493
28 HB2 PRO 4 2HB PRO 4 15.807 -18.334 -0.559
29 HB3 PRO 4 3HB PRO 4 16.714 -18.261 -2.076
30 HG2 PRO 4 2HG PRO 4 17.698 -19.351 0.620
31 HG3 PRO 4 3HG PRO 4 17.797 -20.139 -0.970
32 HD2 PRO 4 2HD PRO 4 19.951 -18.746 0.089
33 HD3 PRO 4 3HD PRO 4 19.631 -18.713 -1.669
34 H TRP 5 HN TRP 5 18.420 -15.063 1.266
35 HA TRP 5 HA TRP 5 16.175 -15.380 3.030
36 HB2 TRP 5 2HB TRP 5 18.759 -13.840 3.138
37 HB3 TRP 5 3HB TRP 5 17.498 -13.599 4.330
38 HD1 TRP 5 1HD TRP 5 16.773 -16.917 4.298
39 HE1 TRP 5 1HE TRP 5 18.276 -18.556 5.720
40 HE3 TRP 5 3HE TRP 5 20.762 -13.784 4.664
41 HZ2 TRP 5 2HZ TRP 5 20.905 -18.362 6.813
42 HZ3 TRP 5 3HZ TRP 5 22.757 -14.585 5.926
43 HH2 TRP 5 2HH TRP 5 22.869 -16.788 6.979
44 H ASN 6 HN ASN 6 17.221 -13.298 0.401
45 HA ASN 6 HA ASN 6 16.522 -11.368 -0.360
46 HB2 ASN 6 2HB ASN 6 13.875 -11.250 -0.411
47 HB3 ASN 6 3HB ASN 6 14.686 -12.528 -1.292
48 HD21 ASN 6 1HD2 ASN 6 12.800 -11.674 1.499
49 HD22 ASN 6 2HD2 ASN 6 12.359 -13.271 2.010
50 H ARG 7 HN ARG 7 17.497 -10.698 2.040
51 HA ARG 7 HA ARG 7 15.360 -9.409 3.514
52 HB2 ARG 7 2HB ARG 7 18.166 -10.313 4.196
53 HB3 ARG 7 3HB ARG 7 17.475 -8.998 5.124
54 HG2 ARG 7 2HG ARG 7 15.372 -10.803 5.097
55 HG3 ARG 7 3HG ARG 7 16.752 -11.884 5.107
56 HD2 ARG 7 2HD ARG 7 17.204 -11.419 7.290
57 HD3 ARG 7 3HD ARG 7 17.185 -9.691 6.994
58 HE ARG 7 HE ARG 7 14.508 -10.293 6.949
59 HH11 ARG 7 2HH2 ARG 7 17.069 -11.080 9.232
60 HH12 ARG 7 1HH2 ARG 7 16.007 -11.137 10.599
61 HH21 ARG 7 2HH1 ARG 7 13.108 -10.368 8.753
62 HH22 ARG 7 1HH1 ARG 7 13.739 -10.730 10.326
63 H LYS 8 HN LYS 8 15.765 -8.127 1.140
64 HA LYS 8 HA LYS 8 17.240 -5.739 1.966
65 HB2 LYS 8 2HB LYS 8 18.158 -7.506 0.009
66 HB3 LYS 8 3HB LYS 8 17.394 -6.224 -0.908
67 HG2 LYS 8 2HG LYS 8 18.817 -4.549 -0.016
68 HG3 LYS 8 3HG LYS 8 19.232 -5.506 1.392
69 HD2 LYS 8 2HD LYS 8 20.751 -6.868 0.195
70 HD3 LYS 8 3HD LYS 8 19.996 -6.533 -1.350
71 HE2 LYS 8 2HE LYS 8 20.951 -4.046 -0.148
72 HE3 LYS 8 3HE LYS 8 22.252 -5.218 -0.213
73 HZ1 LYS 8 3HZ LYS 8 21.109 -5.499 -2.609
74 HZ2 LYS 8 1HZ LYS 8 20.909 -3.898 -2.354
75 HZ3 LYS 8 2HZ LYS 8 22.405 -4.551 -2.309
76 HA HYP 9 HA HYP 9 12.821 -5.013 1.094
77 HB2 HYP 9 3HB HYP 9 12.014 -3.884 3.043
78 HB3 HYP 9 2HB HYP 9 13.383 -2.767 3.083
79 HG HYP 9 2HG HYP 9 13.894 -4.313 4.815
80 HD22 HYP 9 2HD HYP 9 15.841 -3.986 3.222
81 HD23 HYP 9 3HD HYP 9 15.768 -5.757 3.427
82 HD1 HYP 9 1HG HYP 9 13.685 -6.596 4.463
83 H THR 10 HN THR 10 11.547 -3.345 0.073
84 HA THR 10 HA THR 10 12.907 -0.830 -0.490
85 HB THR 10 HB THR 10 11.623 -2.503 -2.704
86 HG1 THR 10 1HG THR 10 14.420 -2.044 -1.936
87 HG21 THR 10 3HG2 THR 10 13.449 -0.981 -3.940
88 HG22 THR 10 1HG2 THR 10 11.836 -0.322 -3.575
89 HG23 THR 10 2HG2 THR 10 13.215 0.068 -2.520
90 H LYS 11 HN LYS 11 11.232 0.640 -1.776
91 HA LYS 11 HA LYS 11 9.163 1.112 -0.015
92 HB2 LYS 11 2HB LYS 11 8.260 2.501 -2.000
93 HB3 LYS 11 3HB LYS 11 9.812 2.926 -1.305
94 HG2 LYS 11 2HG LYS 11 10.056 0.897 -3.438
95 HG3 LYS 11 3HG LYS 11 9.310 2.377 -4.010
96 HD2 LYS 11 2HD LYS 11 11.417 3.324 -2.432
97 HD3 LYS 11 3HD LYS 11 12.103 1.886 -3.162
98 HE2 LYS 11 2HE LYS 11 10.750 3.101 -5.302
99 HE3 LYS 11 3HE LYS 11 11.397 4.467 -4.414
100 HZ1 LYS 11 3HZ LYS 11 12.870 2.216 -5.561
101 HZ2 LYS 11 1HZ LYS 11 13.077 3.812 -5.838
102 HZ3 LYS 11 2HZ LYS 11 13.541 3.164 -4.413
103 H PHE 12 HN PHE 12 7.574 -0.300 0.507
104 HA PHE 12 HA PHE 12 6.314 -1.716 -1.735
105 HB2 PHE 12 2HB PHE 12 5.621 -3.206 0.389
106 HB3 PHE 12 3HB PHE 12 7.218 -3.394 -0.309
107 HD1 PHE 12 2HD PHE 12 5.562 -1.155 2.191
108 HD2 PHE 12 1HD PHE 12 8.950 -3.506 1.192
109 HE1 PHE 12 2HE PHE 12 6.597 -0.606 4.410
110 HE2 PHE 12 1HE PHE 12 9.985 -2.956 3.413
111 HZ PHE 12 HZ PHE 12 8.796 -1.513 4.995
112 HA HYP 13 HA HYP 13 2.408 -0.089 -1.031
113 HB2 HYP 13 3HB HYP 13 0.742 -1.688 -1.655
114 HB3 HYP 13 2HB HYP 13 1.239 -2.839 -0.409
115 HG HYP 13 2HG HYP 13 2.145 -3.769 -2.400
116 HD22 HYP 13 2HD HYP 13 3.874 -3.600 -0.552
117 HD23 HYP 13 3HD HYP 13 4.738 -2.978 -1.984
118 HD1 HYP 13 1HG HYP 13 3.289 -2.437 -3.914
119 H ILE 14 HN ILE 14 1.029 0.900 0.427
120 HA ILE 14 HA ILE 14 1.181 -0.051 3.182
121 HB ILE 14 HB ILE 14 -0.165 2.475 2.299
122 HG12 ILE 14 2HG1 ILE 14 2.038 2.395 1.156
123 HG13 ILE 14 3HG1 ILE 14 1.899 3.693 2.326
124 HG21 ILE 14 1HG2 ILE 14 1.061 3.099 4.571
125 HG22 ILE 14 2HG2 ILE 14 -0.518 2.277 4.542
126 HG23 ILE 14 3HG2 ILE 14 0.970 1.338 4.813
127 HD11 ILE 14 3HD1 ILE 14 2.972 1.104 3.380
128 HD12 ILE 14 1HD1 ILE 14 4.019 1.996 2.250
129 HD13 ILE 14 2HD1 ILE 14 3.463 2.775 3.751
130 HA HYP 15 HA HYP 15 -2.403 -2.411 3.049
131 HB2 HYP 15 3HB HYP 15 -3.024 -2.813 5.325
132 HB3 HYP 15 2HB HYP 15 -3.137 -1.091 5.703
133 HG HYP 15 2HG HYP 15 -1.071 -1.728 6.689
134 HD22 HYP 15 2HD HYP 15 -0.837 0.331 5.225
135 HD23 HYP 15 3HD HYP 15 0.559 -0.674 4.751
136 HD1 HYP 15 1HG HYP 15 0.451 -3.024 5.515
137 H SER 16 HN SER 16 -4.562 -2.422 2.429
138 HA SER 16 HA SER 16 -6.123 -0.092 3.073
139 HB2 SER 16 2HB SER 16 -5.664 -1.068 0.225
140 HB3 SER 16 3HB SER 16 -7.022 -0.050 0.666
141 HG SER 16 HG SER 16 -4.629 0.794 -0.020
142 HA HYP 17 HA HYP 17 -8.057 -4.142 3.924
143 HB2 HYP 17 3HB HYP 17 -8.810 -3.956 6.189
144 HB3 HYP 17 2HB HYP 17 -9.559 -2.380 5.913
145 HG HYP 17 2HG HYP 17 -7.558 -1.834 7.073
146 HD22 HYP 17 2HD HYP 17 -7.846 -0.456 4.961
147 HD23 HYP 17 3HD HYP 17 -6.138 -0.969 4.891
148 HD1 HYP 17 1HG HYP 17 -5.536 -2.786 6.456
149 H ASN 18 HN ASN 18 -10.155 -5.132 3.701
150 HA ASN 18 HA ASN 18 -11.926 -3.735 2.019
151 HB2 ASN 18 2HB ASN 18 -11.504 -6.435 2.871
152 HB3 ASN 18 3HB ASN 18 -13.143 -6.043 3.352
153 HD21 ASN 18 1HD2 ASN 18 -14.533 -6.728 1.925
154 HD22 ASN 18 2HD2 ASN 18 -14.408 -6.632 0.200
155 HA HYP 19 HA HYP 19 -14.683 -4.362 6.100
156 HB2 HYP 19 3HB HYP 19 -13.910 -5.231 8.192
157 HB3 HYP 19 2HB HYP 19 -12.432 -4.263 8.160
158 HG HYP 19 2HG HYP 19 -11.672 -6.434 7.560
159 HD22 HYP 19 2HD HYP 19 -10.863 -4.658 5.939
160 HD23 HYP 19 3HD HYP 19 -11.429 -5.968 4.868
161 HD1 HYP 19 1HG HYP 19 -12.810 -7.691 5.980
162 H ARG 20 HN ARG 20 -15.636 -2.381 5.956
163 HA ARG 20 HA ARG 20 -16.022 -0.268 6.325
164 HB2 ARG 20 2HB ARG 20 -16.467 -1.174 8.567
165 HB3 ARG 20 3HB ARG 20 -14.773 -1.057 9.003
166 HG2 ARG 20 2HG ARG 20 -14.960 1.146 9.552
167 HG3 ARG 20 3HG ARG 20 -15.801 1.529 8.063
168 HD2 ARG 20 2HD ARG 20 -17.653 1.840 9.357
169 HD3 ARG 20 3HD ARG 20 -17.735 0.093 9.469
170 HE ARG 20 HE ARG 20 -15.944 0.720 11.465
171 HH11 ARG 20 2HH2 ARG 20 -19.158 1.916 10.673
172 HH12 ARG 20 1HH2 ARG 20 -19.561 2.293 12.315
173 HH21 ARG 20 2HH1 ARG 20 -16.476 1.217 13.631
174 HH22 ARG 20 1HH1 ARG 20 -18.027 1.893 14.008
175 H ASP 21 HN ASP 21 -13.729 -0.397 4.797
176 HA ASP 21 HA ASP 21 -11.788 1.284 6.135
177 HB2 ASP 21 2HB ASP 21 -11.215 -0.834 4.730
178 HB3 ASP 21 3HB ASP 21 -11.609 0.131 3.322
179 H LYS 22 HN LYS 22 -11.803 3.500 5.702
180 HA LYS 22 HA LYS 22 -12.622 5.422 4.907
181 HB2 LYS 22 2HB LYS 22 -11.791 5.956 2.718
182 HB3 LYS 22 3HB LYS 22 -10.628 4.921 3.519
183 HG2 LYS 22 2HG LYS 22 -12.750 3.629 1.798
184 HG3 LYS 22 3HG LYS 22 -11.415 4.438 1.003
185 HD2 LYS 22 2HD LYS 22 -10.450 2.760 3.206
186 HD3 LYS 22 3HD LYS 22 -11.414 1.820 2.085
187 HE2 LYS 22 2HE LYS 22 -9.375 1.665 0.995
188 HE3 LYS 22 3HE LYS 22 -9.948 3.147 0.256
189 HZ1 LYS 22 3HZ LYS 22 -8.795 4.294 2.152
190 HZ2 LYS 22 1HZ LYS 22 -8.061 2.872 2.476
191 HZ3 LYS 22 2HZ LYS 22 -7.826 3.602 1.034
192 H TRP 23 HN TRP 23 -14.605 3.205 5.139
193 HA TRP 23 HA TRP 23 -16.300 3.309 2.875
194 HB2 TRP 23 2HB TRP 23 -17.313 1.646 3.913
195 HB3 TRP 23 3HB TRP 23 -16.093 1.771 5.164
196 HD1 TRP 23 1HD TRP 23 -16.838 3.254 7.414
197 HE1 TRP 23 1HE TRP 23 -19.168 3.677 8.578
198 HE3 TRP 23 3HE TRP 23 -19.674 1.929 3.406
199 HZ2 TRP 23 2HZ TRP 23 -21.875 3.417 7.711
200 HZ3 TRP 23 3HZ TRP 23 -22.152 2.042 3.649
201 HH2 TRP 23 2HH TRP 23 -23.256 2.755 5.709
202 H CYS 24 HN CYS 24 -18.786 4.023 3.509
203 HA CYS 24 HA CYS 24 -19.013 6.285 5.154
204 HB2 CYS 24 3HB CYS 24 -19.179 8.065 3.622
205 HB3 CYS 24 2HB CYS 24 -17.649 7.271 3.308
206 H ARG 25 HN ARG 25 -21.185 6.350 5.689
207 HA ARG 25 HA ARG 25 -22.893 4.523 4.426
208 HB2 ARG 25 2HB ARG 25 -22.829 5.698 6.896
209 HB3 ARG 25 3HB ARG 25 -24.050 6.705 6.142
210 HG2 ARG 25 2HG ARG 25 -24.782 4.099 5.372
211 HG3 ARG 25 3HG ARG 25 -24.226 3.896 7.021
212 HD2 ARG 25 2HD ARG 25 -26.333 5.908 6.094
213 HD3 ARG 25 3HD ARG 25 -26.659 4.415 6.951
214 HE ARG 25 HE ARG 25 -25.656 5.346 8.942
215 HH11 ARG 25 2HH2 ARG 25 -25.760 7.610 6.252
216 HH12 ARG 25 1HH2 ARG 25 -25.505 9.004 7.249
217 HH21 ARG 25 2HH1 ARG 25 -25.319 7.184 10.258
218 HH22 ARG 25 1HH1 ARG 25 -25.252 8.759 9.543
219 H LEU 26 HN LEU 26 -21.906 7.713 3.657
220 HA LEU 26 HA LEU 26 -24.351 8.133 2.080
221 HB2 LEU 26 2HB LEU 26 -22.487 10.331 2.919
222 HB3 LEU 26 3HB LEU 26 -24.138 10.443 2.343
223 HG LEU 26 HG LEU 26 -24.451 8.956 4.636
224 HD11 LEU 26 1HD1 LEU 26 -23.188 10.247 6.387
225 HD12 LEU 26 2HD1 LEU 26 -22.204 9.148 5.391
226 HD13 LEU 26 3HD1 LEU 26 -22.176 10.900 5.077
227 HD21 LEU 26 3HD2 LEU 26 -24.654 11.926 4.126
228 HD22 LEU 26 1HD2 LEU 26 -25.944 10.700 4.104
229 HD23 LEU 26 2HD2 LEU 26 -25.190 11.171 5.646
230 H ASN 27 HN ASN 27 -22.971 10.356 0.623
231 HA ASN 27 HA ASN 27 -21.601 8.615 -1.220
232 HB2 ASN 27 2HB ASN 27 -23.398 10.215 -2.007
233 HB3 ASN 27 3HB ASN 27 -22.403 11.561 -1.486
234 HD21 ASN 27 1HD2 ASN 27 -22.801 12.045 -3.825
235 HD22 ASN 27 2HD2 ASN 27 -21.639 11.485 -4.982
236 H LEU 28 HN LEU 28 -19.356 8.819 -1.656
237 HA LEU 28 HA LEU 28 -17.872 10.480 0.172
238 HB2 LEU 28 2HB LEU 28 -17.496 7.997 -0.945
239 HB3 LEU 28 3HB LEU 28 -16.409 8.995 -1.890
240 HG LEU 28 HG LEU 28 -15.087 9.552 -0.048
241 HD11 LEU 28 1HD1 LEU 28 -15.885 8.860 2.335
242 HD12 LEU 28 2HD1 LEU 28 -16.500 10.356 1.592
243 HD13 LEU 28 3HD1 LEU 28 -17.506 8.888 1.602
244 HD21 LEU 28 3HD2 LEU 28 -15.696 6.823 -0.529
245 HD22 LEU 28 1HD2 LEU 28 -14.183 7.534 0.084
246 HD23 LEU 28 2HD2 LEU 28 -15.450 7.015 1.224
247 H GLY 29 HN GLY 29 -15.625 11.210 -1.289
248 HA2 GLY 29 2HA GLY 29 -15.045 12.372 -3.297
249 HA3 GLY 29 1HA GLY 29 -16.701 12.929 -3.436
250 HA PRO 30 HA PRO 30 -15.183 16.777 -2.050
251 HB2 PRO 30 2HB PRO 30 -17.595 17.961 -1.334
252 HB3 PRO 30 3HB PRO 30 -17.094 17.622 -2.996
253 HG2 PRO 30 2HG PRO 30 -18.926 15.906 -1.229
254 HG3 PRO 30 3HG PRO 30 -19.221 16.443 -2.897
255 HD2 PRO 30 2HD PRO 30 -18.211 13.917 -2.349
256 HD3 PRO 30 3HD PRO 30 -17.669 14.811 -3.799
257 H ALA 31 HN ALA 31 -14.117 15.222 0.031
258 HA ALA 31 HA ALA 31 -13.848 16.735 2.133
259 HB1 ALA 31 1HB ALA 31 -16.034 17.199 2.729
260 HB2 ALA 31 2HB ALA 31 -16.632 15.611 2.193
261 HB3 ALA 31 3HB ALA 31 -15.742 15.755 3.728
262 H TRP 32 HN TRP 32 -14.411 13.597 0.754
263 HA TRP 32 HA TRP 32 -12.757 12.415 2.881
264 HB2 TRP 32 2HB TRP 32 -15.250 11.678 2.568
265 HB3 TRP 32 3HB TRP 32 -14.624 10.787 1.195
266 HD1 TRP 32 1HD TRP 32 -13.635 8.422 1.762
267 HE1 TRP 32 1HE TRP 32 -12.944 7.045 3.905
268 HE3 TRP 32 3HE TRP 32 -14.219 12.253 5.056
269 HZ2 TRP 32 2HZ TRP 32 -12.724 7.698 6.674
270 HZ3 TRP 32 3HZ TRP 32 -13.745 11.798 7.460
271 HH2 TRP 32 2HH TRP 32 -13.021 9.615 8.286
272 H GLY 33 HN GLY 33 -12.748 9.951 0.988
273 HA2 GLY 33 2HA GLY 33 -11.794 10.344 -1.494
274 HA3 GLY 33 1HA GLY 33 -10.412 10.783 -0.510
275 H GLY 34 HN GLY 34 -11.553 8.292 -2.263
276 HA2 GLY 34 2HA GLY 34 -9.909 6.338 -1.689
277 HA3 GLY 34 1HA GLY 34 -10.998 6.165 -0.327
278 H ARG 35 HN ARG 35 -12.366 4.472 -0.692
279 HA ARG 35 HA ARG 35 -13.819 4.542 -3.187
280 HB2 ARG 35 2HB ARG 35 -11.952 2.395 -2.291
281 HB3 ARG 35 3HB ARG 35 -13.519 1.807 -2.814
282 HG2 ARG 35 2HG ARG 35 -12.287 3.877 -4.584
283 HG3 ARG 35 3HG ARG 35 -11.427 2.351 -4.517
284 HD2 ARG 35 2HD ARG 35 -13.725 1.212 -4.939
285 HD3 ARG 35 3HD ARG 35 -14.328 2.810 -5.332
286 HE ARG 35 HE ARG 35 -11.862 2.065 -6.757
287 HH11 ARG 35 2HH2 ARG 35 -15.380 2.069 -6.819
288 HH12 ARG 35 1HH2 ARG 35 -15.477 1.920 -8.542
289 HH21 ARG 35 2HH1 ARG 35 -11.989 1.869 -9.029
290 HH22 ARG 35 1HH1 ARG 35 -13.535 1.805 -9.807
291 H CYS 36 HN CYS 36 -15.871 4.917 -2.352
292 HA CYS 36 HA CYS 36 -16.697 3.147 -0.167
293 HB2 CYS 36 3HB CYS 36 -16.508 5.427 0.632
294 HB3 CYS 36 2HB CYS 36 -17.507 6.015 -0.683
Start of MODEL 12
1 H1 TRP 1 HN TRP 1 13.343 -12.986 -19.968
2 HA TRP 1 HA TRP 1 12.064 -14.796 -20.419
3 HB2 TRP 1 2HB TRP 1 12.848 -16.696 -21.729
4 HB3 TRP 1 3HB TRP 1 13.062 -15.176 -22.574
5 HD1 TRP 1 1HD TRP 1 15.736 -14.210 -22.563
6 HE1 TRP 1 1HE TRP 1 18.042 -15.484 -22.718
7 HE3 TRP 1 3HE TRP 1 13.930 -18.742 -21.125
8 HZ2 TRP 1 2HZ TRP 1 18.834 -18.182 -22.234
9 HZ3 TRP 1 3HZ TRP 1 15.536 -20.643 -20.993
10 HH2 TRP 1 2HH TRP 1 17.913 -20.418 -21.518
11 H GLU 2 HN GLU 2 12.718 -14.340 -17.966
12 HA GLU 2 HA GLU 2 13.918 -16.826 -17.020
13 HB2 GLU 2 2HB GLU 2 14.905 -15.613 -15.134
14 HB3 GLU 2 3HB GLU 2 15.447 -14.900 -16.640
15 HG2 GLU 2 2HG GLU 2 13.060 -13.511 -16.036
16 HG3 GLU 2 3HG GLU 2 13.853 -13.698 -14.485
17 H TRP 3 HN TRP 3 12.826 -17.895 -15.334
18 HA TRP 3 HA TRP 3 10.104 -17.441 -15.086
19 HB2 TRP 3 2HB TRP 3 12.022 -18.965 -13.318
20 HB3 TRP 3 3HB TRP 3 10.278 -19.010 -13.144
21 HD1 TRP 3 1HD TRP 3 13.054 -20.622 -15.105
22 HE1 TRP 3 1HE TRP 3 12.165 -22.359 -16.881
23 HE3 TRP 3 3HE TRP 3 8.168 -19.254 -14.775
24 HZ2 TRP 3 2HZ TRP 3 9.577 -22.953 -17.926
25 HZ3 TRP 3 3HZ TRP 3 6.524 -20.463 -16.208
26 HH2 TRP 3 2HH TRP 3 7.161 -22.256 -17.743
27 HA PRO 4 HA PRO 4 9.776 -13.983 -12.527
28 HB2 PRO 4 2HB PRO 4 7.331 -14.447 -11.288
29 HB3 PRO 4 3HB PRO 4 7.539 -14.126 -13.015
30 HG2 PRO 4 2HG PRO 4 7.249 -16.865 -11.661
31 HG3 PRO 4 3HG PRO 4 6.356 -16.252 -13.070
32 HD2 PRO 4 2HD PRO 4 8.574 -17.894 -13.367
33 HD3 PRO 4 3HD PRO 4 8.259 -16.583 -14.539
34 H TRP 5 HN TRP 5 11.772 -14.200 -10.983
35 HA TRP 5 HA TRP 5 10.928 -14.113 -8.320
36 HB2 TRP 5 2HB TRP 5 11.779 -16.112 -7.382
37 HB3 TRP 5 3HB TRP 5 10.653 -16.554 -8.648
38 HD1 TRP 5 1HD TRP 5 11.830 -17.514 -11.003
39 HE1 TRP 5 1HE TRP 5 14.052 -18.864 -11.457
40 HE3 TRP 5 3HE TRP 5 14.053 -16.361 -6.578
41 HZ2 TRP 5 2HZ TRP 5 16.436 -19.288 -9.947
42 HZ3 TRP 5 3HZ TRP 5 16.327 -17.285 -6.146
43 HH2 TRP 5 2HH TRP 5 17.515 -18.701 -7.744
44 H ASN 6 HN ASN 6 12.291 -12.340 -9.892
45 HA ASN 6 HA ASN 6 15.094 -12.803 -9.299
46 HB2 ASN 6 2HB ASN 6 15.548 -11.011 -10.928
47 HB3 ASN 6 3HB ASN 6 14.448 -12.166 -11.654
48 HD21 ASN 6 1HD2 ASN 6 12.224 -11.684 -11.804
49 HD22 ASN 6 2HD2 ASN 6 11.638 -10.054 -11.811
50 H ARG 7 HN ARG 7 16.050 -11.600 -7.632
51 HA ARG 7 HA ARG 7 16.009 -10.405 -5.787
52 HB2 ARG 7 2HB ARG 7 16.521 -8.853 -8.029
53 HB3 ARG 7 3HB ARG 7 15.275 -7.904 -7.242
54 HG2 ARG 7 2HG ARG 7 17.236 -8.872 -5.287
55 HG3 ARG 7 3HG ARG 7 18.028 -7.987 -6.575
56 HD2 ARG 7 2HD ARG 7 16.382 -6.093 -6.235
57 HD3 ARG 7 3HD ARG 7 15.690 -6.971 -4.887
58 HE ARG 7 HE ARG 7 18.292 -5.598 -4.936
59 HH11 ARG 7 2HH2 ARG 7 16.270 -7.955 -3.282
60 HH12 ARG 7 1HH2 ARG 7 17.125 -7.826 -1.782
61 HH21 ARG 7 2HH1 ARG 7 19.421 -5.427 -2.956
62 HH22 ARG 7 1HH1 ARG 7 18.929 -6.378 -1.595
63 H LYS 8 HN LYS 8 14.139 -11.120 -4.610
64 HA LYS 8 HA LYS 8 11.544 -10.612 -5.059
65 HB2 LYS 8 2HB LYS 8 12.173 -12.019 -3.262
66 HB3 LYS 8 3HB LYS 8 13.096 -10.755 -2.472
67 HG2 LYS 8 2HG LYS 8 10.814 -9.455 -2.359
68 HG3 LYS 8 3HG LYS 8 10.076 -11.007 -2.706
69 HD2 LYS 8 2HD LYS 8 12.065 -11.377 -0.629
70 HD3 LYS 8 3HD LYS 8 11.039 -10.030 -0.181
71 HE2 LYS 8 2HE LYS 8 9.136 -11.799 -1.069
72 HE3 LYS 8 3HE LYS 8 10.346 -12.925 -0.487
73 HZ1 LYS 8 3HZ LYS 8 9.893 -12.372 1.591
74 HZ2 LYS 8 1HZ LYS 8 9.923 -10.764 1.303
75 HZ3 LYS 8 2HZ LYS 8 8.556 -11.616 1.037
76 HA HYP 9 HA HYP 9 10.754 -6.415 -5.441
77 HB2 HYP 9 3HB HYP 9 8.374 -6.177 -5.392
78 HB3 HYP 9 2HB HYP 9 8.233 -6.915 -3.792
79 HG HYP 9 2HG HYP 9 7.519 -8.647 -5.255
80 HD22 HYP 9 2HD HYP 9 9.281 -9.448 -3.614
81 HD23 HYP 9 3HD HYP 9 9.828 -10.123 -5.172
82 HD1 HYP 9 1HG HYP 9 8.728 -9.157 -7.166
83 H THR 10 HN THR 10 9.906 -4.342 -4.228
84 HA THR 10 HA THR 10 11.168 -4.255 -1.607
85 HB THR 10 HB THR 10 9.834 -2.051 -3.261
86 HG1 THR 10 1HG THR 10 11.579 -2.578 -4.535
87 HG21 THR 10 3HG2 THR 10 11.670 -2.166 -0.855
88 HG22 THR 10 1HG2 THR 10 11.893 -0.851 -2.034
89 HG23 THR 10 2HG2 THR 10 10.336 -1.038 -1.194
90 H LYS 11 HN LYS 11 9.856 -2.665 -0.020
91 HA LYS 11 HA LYS 11 7.678 -4.223 0.821
92 HB2 LYS 11 2HB LYS 11 9.363 -2.367 1.958
93 HB3 LYS 11 3HB LYS 11 7.851 -1.483 1.887
94 HG2 LYS 11 2HG LYS 11 6.752 -2.951 3.330
95 HG3 LYS 11 3HG LYS 11 7.710 -4.333 2.837
96 HD2 LYS 11 2HD LYS 11 8.722 -4.002 4.879
97 HD3 LYS 11 3HD LYS 11 9.687 -2.854 3.971
98 HE2 LYS 11 2HE LYS 11 8.891 -1.134 5.217
99 HE3 LYS 11 3HE LYS 11 7.243 -1.530 4.774
100 HZ1 LYS 11 3HZ LYS 11 8.287 -1.784 7.227
101 HZ2 LYS 11 1HZ LYS 11 6.926 -2.525 6.713
102 HZ3 LYS 11 2HZ LYS 11 8.350 -3.324 6.687
103 H PHE 12 HN PHE 12 5.638 -4.286 0.060
104 HA PHE 12 HA PHE 12 4.789 -2.541 -1.958
105 HB2 PHE 12 2HB PHE 12 3.030 -4.164 -0.045
106 HB3 PHE 12 3HB PHE 12 2.733 -3.852 -1.743
107 HD1 PHE 12 1HD PHE 12 4.364 -4.907 -3.435
108 HD2 PHE 12 2HD PHE 12 4.097 -6.133 0.618
109 HE1 PHE 12 1HE PHE 12 5.441 -7.096 -4.025
110 HE2 PHE 12 2HE PHE 12 5.174 -8.322 0.028
111 HZ PHE 12 HZ PHE 12 5.834 -8.776 -2.287
112 HA HYP 13 HA HYP 13 2.836 0.882 -0.268
113 HB2 HYP 13 3HB HYP 13 0.898 1.472 -1.542
114 HB3 HYP 13 2HB HYP 13 0.064 -0.037 -1.157
115 HG HYP 13 2HG HYP 13 0.800 -0.378 -3.391
116 HD22 HYP 13 2HD HYP 13 1.436 -2.307 -1.871
117 HD23 HYP 13 3HD HYP 13 2.931 -1.998 -2.793
118 HD1 HYP 13 1HG HYP 13 2.969 0.151 -4.016
119 H ILE 14 HN ILE 14 2.047 1.801 1.603
120 HA ILE 14 HA ILE 14 1.284 0.409 3.785
121 HB ILE 14 HB ILE 14 0.510 3.173 2.869
122 HG12 ILE 14 2HG1 ILE 14 2.437 2.567 5.077
123 HG13 ILE 14 3HG1 ILE 14 2.963 2.313 3.426
124 HG21 ILE 14 1HG2 ILE 14 -1.107 2.175 4.552
125 HG22 ILE 14 2HG2 ILE 14 0.253 2.150 5.699
126 HG23 ILE 14 3HG2 ILE 14 -0.309 3.695 5.019
127 HD11 ILE 14 3HD1 ILE 14 1.843 4.748 3.092
128 HD12 ILE 14 1HD1 ILE 14 2.242 4.869 4.822
129 HD13 ILE 14 2HD1 ILE 14 3.526 4.547 3.632
130 HA HYP 15 HA HYP 15 -2.294 -1.845 3.033
131 HB2 HYP 15 3HB HYP 15 -3.074 -2.588 5.169
132 HB3 HYP 15 2HB HYP 15 -3.204 -0.945 5.804
133 HG HYP 15 2HG HYP 15 -1.215 -1.762 6.817
134 HD22 HYP 15 2HD HYP 15 -0.868 0.497 5.714
135 HD23 HYP 15 3HD HYP 15 0.552 -0.445 5.183
136 HD1 HYP 15 1HG HYP 15 0.378 -2.883 5.561
137 H SER 16 HN SER 16 -4.843 -1.821 3.400
138 HA SER 16 HA SER 16 -6.138 0.498 4.006
139 HB2 SER 16 2HB SER 16 -5.002 0.627 1.372
140 HB3 SER 16 3HB SER 16 -6.737 0.473 1.179
141 HG SER 16 HG SER 16 -6.741 2.586 1.558
142 HA HYP 17 HA HYP 17 -8.903 -2.556 1.352
143 HB2 HYP 17 3HB HYP 17 -8.130 -4.216 -0.187
144 HB3 HYP 17 2HB HYP 17 -6.914 -4.835 0.936
145 HG HYP 17 2HG HYP 17 -5.632 -3.549 -0.598
146 HD22 HYP 17 2HD HYP 17 -5.116 -2.952 1.813
147 HD23 HYP 17 3HD HYP 17 -5.277 -1.362 1.018
148 HD1 HYP 17 1HG HYP 17 -6.316 -1.425 -1.225
149 H ASN 18 HN ASN 18 -10.328 -3.172 2.894
150 HA ASN 18 HA ASN 18 -9.535 -5.498 4.463
151 HB2 ASN 18 2HB ASN 18 -11.179 -3.066 5.092
152 HB3 ASN 18 3HB ASN 18 -11.802 -4.574 5.729
153 HD21 ASN 18 1HD2 ASN 18 -8.889 -2.577 5.490
154 HD22 ASN 18 2HD2 ASN 18 -8.178 -3.025 7.005
155 HA HYP 19 HA HYP 19 -12.589 -8.038 2.714
156 HB2 HYP 19 3HB HYP 19 -13.415 -9.596 4.331
157 HB3 HYP 19 2HB HYP 19 -14.068 -8.323 5.369
158 HG HYP 19 2HG HYP 19 -12.085 -8.982 6.501
159 HD22 HYP 19 2HD HYP 19 -12.219 -6.468 6.192
160 HD23 HYP 19 3HD HYP 19 -10.539 -6.853 5.727
161 HD1 HYP 19 1HG HYP 19 -10.096 -9.256 5.343
162 H ARG 20 HN ARG 20 -13.862 -6.984 1.230
163 HA ARG 20 HA ARG 20 -15.611 -5.938 0.418
164 HB2 ARG 20 2HB ARG 20 -16.417 -8.267 0.665
165 HB3 ARG 20 3HB ARG 20 -16.960 -7.940 2.298
166 HG2 ARG 20 2HG ARG 20 -18.856 -6.830 1.598
167 HG3 ARG 20 3HG ARG 20 -18.043 -6.071 0.244
168 HD2 ARG 20 2HD ARG 20 -19.668 -7.648 -0.655
169 HD3 ARG 20 3HD ARG 20 -18.070 -8.294 -0.969
170 HE ARG 20 HE ARG 20 -18.946 -9.297 1.560
171 HH11 ARG 20 2HH2 ARG 20 -19.714 -9.605 -1.861
172 HH12 ARG 20 1HH2 ARG 20 -20.328 -11.217 -1.708
173 HH21 ARG 20 2HH1 ARG 20 -19.756 -11.424 1.761
174 HH22 ARG 20 1HH1 ARG 20 -20.353 -12.258 0.365
175 H ASP 21 HN ASP 21 -14.536 -4.525 2.745
176 HA ASP 21 HA ASP 21 -16.583 -3.838 4.505
177 HB2 ASP 21 2HB ASP 21 -14.033 -2.386 3.664
178 HB3 ASP 21 3HB ASP 21 -15.064 -1.821 4.964
179 H LYS 22 HN LYS 22 -18.495 -3.024 3.537
180 HA LYS 22 HA LYS 22 -19.805 -1.811 2.203
181 HB2 LYS 22 2HB LYS 22 -19.721 0.528 2.648
182 HB3 LYS 22 3HB LYS 22 -19.202 -0.301 4.102
183 HG2 LYS 22 2HG LYS 22 -16.955 0.340 3.844
184 HG3 LYS 22 3HG LYS 22 -17.089 0.513 2.105
185 HD2 LYS 22 2HD LYS 22 -18.644 2.517 2.534
186 HD3 LYS 22 3HD LYS 22 -18.206 2.399 4.226
187 HE2 LYS 22 2HE LYS 22 -15.718 2.331 2.944
188 HE3 LYS 22 3HE LYS 22 -16.633 3.446 1.948
189 HZ1 LYS 22 3HZ LYS 22 -17.278 4.510 4.125
190 HZ2 LYS 22 1HZ LYS 22 -16.076 3.644 4.812
191 HZ3 LYS 22 2HZ LYS 22 -15.735 4.723 3.635
192 H TRP 23 HN TRP 23 -17.438 -3.104 0.899
193 HA TRP 23 HA TRP 23 -16.238 -1.423 -0.945
194 HB2 TRP 23 2HB TRP 23 -15.219 -3.295 -1.508
195 HB3 TRP 23 3HB TRP 23 -16.212 -4.128 -0.329
196 HD1 TRP 23 1HD TRP 23 -18.716 -5.054 -1.469
197 HE1 TRP 23 1HE TRP 23 -19.168 -6.254 -3.775
198 HE3 TRP 23 3HE TRP 23 -14.438 -3.483 -3.724
199 HZ2 TRP 23 2HZ TRP 23 -17.719 -6.410 -6.228
200 HZ3 TRP 23 3HZ TRP 23 -14.032 -4.204 -6.077
201 HH2 TRP 23 2HH TRP 23 -15.589 -5.617 -7.323
202 H CYS 24 HN CYS 24 -16.873 -2.416 -3.512
203 HA CYS 24 HA CYS 24 -18.733 -0.765 -4.435
204 HB2 CYS 24 3HB CYS 24 -17.840 -1.749 -6.220
205 HB3 CYS 24 2HB CYS 24 -17.539 -3.251 -5.367
206 H ARG 25 HN ARG 25 -20.680 -0.404 -3.356
207 HA ARG 25 HA ARG 25 -22.300 -2.781 -2.905
208 HB2 ARG 25 2HB ARG 25 -21.529 -1.007 -0.998
209 HB3 ARG 25 3HB ARG 25 -22.961 -0.165 -1.558
210 HG2 ARG 25 2HG ARG 25 -24.374 -1.690 -0.609
211 HG3 ARG 25 3HG ARG 25 -23.441 -3.055 -1.190
212 HD2 ARG 25 2HD ARG 25 -22.254 -3.245 0.772
213 HD3 ARG 25 3HD ARG 25 -22.070 -1.512 0.948
214 HE ARG 25 HE ARG 25 -24.807 -2.502 1.411
215 HH11 ARG 25 2HH2 ARG 25 -21.705 -1.684 2.858
216 HH12 ARG 25 1HH2 ARG 25 -22.358 -1.476 4.449
217 HH21 ARG 25 2HH1 ARG 25 -25.668 -2.228 3.510
218 HH22 ARG 25 1HH1 ARG 25 -24.626 -1.786 4.823
219 H LEU 26 HN LEU 26 -21.936 0.237 -4.611
220 HA LEU 26 HA LEU 26 -24.554 -0.166 -5.816
221 HB2 LEU 26 2HB LEU 26 -24.584 2.509 -5.708
222 HB3 LEU 26 3HB LEU 26 -25.401 1.467 -4.561
223 HG LEU 26 HG LEU 26 -23.277 1.630 -3.129
224 HD11 LEU 26 1HD1 LEU 26 -22.678 4.232 -4.426
225 HD12 LEU 26 2HD1 LEU 26 -21.603 3.075 -3.605
226 HD13 LEU 26 3HD1 LEU 26 -22.131 2.767 -5.277
227 HD21 LEU 26 3HD2 LEU 26 -23.967 4.076 -2.449
228 HD22 LEU 26 1HD2 LEU 26 -25.296 3.791 -3.598
229 HD23 LEU 26 2HD2 LEU 26 -25.078 2.708 -2.202
230 H ASN 27 HN ASN 27 -24.556 1.976 -7.577
231 HA ASN 27 HA ASN 27 -23.047 1.108 -9.601
232 HB2 ASN 27 2HB ASN 27 -24.461 3.608 -8.921
233 HB3 ASN 27 3HB ASN 27 -23.098 3.917 -9.979
234 HD21 ASN 27 1HD2 ASN 27 -26.136 2.252 -9.578
235 HD22 ASN 27 2HD2 ASN 27 -26.431 1.863 -11.240
236 H LEU 28 HN LEU 28 -20.827 0.634 -9.174
237 HA LEU 28 HA LEU 28 -19.164 2.371 -7.706
238 HB2 LEU 28 2HB LEU 28 -19.071 -0.225 -8.474
239 HB3 LEU 28 3HB LEU 28 -17.948 0.477 -9.622
240 HG LEU 28 HG LEU 28 -16.673 1.463 -7.712
241 HD11 LEU 28 1HD1 LEU 28 -17.251 0.087 -5.488
242 HD12 LEU 28 2HD1 LEU 28 -17.945 1.685 -5.852
243 HD13 LEU 28 3HD1 LEU 28 -18.888 0.211 -6.177
244 HD21 LEU 28 3HD2 LEU 28 -15.994 -0.949 -6.812
245 HD22 LEU 28 1HD2 LEU 28 -16.988 -1.461 -8.197
246 HD23 LEU 28 2HD2 LEU 28 -15.587 -0.393 -8.454
247 H GLY 29 HN GLY 29 -16.813 2.525 -9.318
248 HA2 GLY 29 2HA GLY 29 -17.505 3.945 -11.747
249 HA3 GLY 29 1HA GLY 29 -16.927 4.963 -10.442
250 HA PRO 30 HA PRO 30 -12.892 4.492 -11.905
251 HB2 PRO 30 2HB PRO 30 -11.431 4.929 -9.580
252 HB3 PRO 30 3HB PRO 30 -12.379 6.163 -10.419
253 HG2 PRO 30 2HG PRO 30 -13.244 4.498 -7.991
254 HG3 PRO 30 3HG PRO 30 -13.349 6.261 -8.190
255 HD2 PRO 30 2HD PRO 30 -15.534 4.619 -8.672
256 HD3 PRO 30 3HD PRO 30 -15.261 6.075 -9.672
257 H ALA 31 HN ALA 31 -13.590 1.801 -12.223
258 HA ALA 31 HA ALA 31 -11.384 0.385 -12.113
259 HB1 ALA 31 1HB ALA 31 -12.479 0.635 -9.329
260 HB2 ALA 31 2HB ALA 31 -11.788 -0.928 -9.826
261 HB3 ALA 31 3HB ALA 31 -10.791 0.545 -9.886
262 H TRP 32 HN TRP 32 -14.831 0.635 -11.607
263 HA TRP 32 HA TRP 32 -15.126 -2.087 -12.685
264 HB2 TRP 32 2HB TRP 32 -16.015 -1.261 -10.247
265 HB3 TRP 32 3HB TRP 32 -17.411 -0.906 -11.243
266 HD1 TRP 32 1HD TRP 32 -18.805 -3.015 -12.170
267 HE1 TRP 32 1HE TRP 32 -18.826 -5.614 -11.717
268 HE3 TRP 32 3HE TRP 32 -14.357 -3.151 -9.711
269 HZ2 TRP 32 2HZ TRP 32 -17.020 -7.396 -10.410
270 HZ3 TRP 32 3HZ TRP 32 -13.558 -5.361 -8.878
271 HH2 TRP 32 2HH TRP 32 -14.812 -7.436 -9.193
272 H GLY 33 HN GLY 33 -18.091 -1.402 -12.975
273 HA2 GLY 33 2HA GLY 33 -17.976 0.686 -15.038
274 HA3 GLY 33 1HA GLY 33 -18.495 -0.925 -15.492
275 H GLY 34 HN GLY 34 -20.691 -0.917 -15.735
276 HA2 GLY 34 2HA GLY 34 -22.384 0.882 -14.323
277 HA3 GLY 34 1HA GLY 34 -22.864 -0.438 -15.370
278 H ARG 35 HN ARG 35 -22.795 -2.701 -14.460
279 HA ARG 35 HA ARG 35 -24.231 -2.893 -12.199
280 HB2 ARG 35 2HB ARG 35 -23.583 -5.298 -12.172
281 HB3 ARG 35 3HB ARG 35 -23.904 -4.754 -13.807
282 HG2 ARG 35 2HG ARG 35 -21.077 -4.631 -12.723
283 HG3 ARG 35 3HG ARG 35 -21.718 -6.162 -13.284
284 HD2 ARG 35 2HD ARG 35 -22.458 -4.494 -15.363
285 HD3 ARG 35 3HD ARG 35 -20.963 -3.739 -14.850
286 HE ARG 35 HE ARG 35 -21.250 -6.371 -16.106
287 HH11 ARG 35 2HH2 ARG 35 -19.181 -4.340 -14.111
288 HH12 ARG 35 1HH2 ARG 35 -17.735 -5.206 -14.505
289 HH21 ARG 35 2HH1 ARG 35 -19.342 -7.515 -16.626
290 HH22 ARG 35 1HH1 ARG 35 -17.827 -7.024 -15.945
291 H CYS 36 HN CYS 36 -23.315 -4.443 -10.213
292 HA CYS 36 HA CYS 36 -22.241 -4.338 -8.294
293 HB2 CYS 36 3HB CYS 36 -20.502 -5.563 -9.077
294 HB3 CYS 36 2HB CYS 36 -20.103 -4.421 -10.345
Start of MODEL 13
1 H1 TRP 1 HN TRP 1 14.080 -14.490 5.353
2 HA TRP 1 HA TRP 1 15.469 -16.094 3.367
3 HB2 TRP 1 2HB TRP 1 12.699 -15.651 4.191
4 HB3 TRP 1 3HB TRP 1 12.906 -15.620 2.451
5 HD1 TRP 1 1HD TRP 1 14.240 -17.947 1.430
6 HE1 TRP 1 1HE TRP 1 13.993 -20.489 2.098
7 HE3 TRP 1 3HE TRP 1 12.218 -17.090 6.016
8 HZ2 TRP 1 2HZ TRP 1 13.003 -21.825 4.417
9 HZ3 TRP 1 3HZ TRP 1 11.639 -19.067 7.419
10 HH2 TRP 1 2HH TRP 1 12.002 -21.371 6.687
11 H GLU 2 HN GLU 2 16.897 -14.709 2.284
12 HA GLU 2 HA GLU 2 15.667 -12.890 0.499
13 HB2 GLU 2 2HB GLU 2 17.049 -10.896 1.236
14 HB3 GLU 2 3HB GLU 2 15.754 -11.332 2.334
15 HG2 GLU 2 2HG GLU 2 17.201 -12.007 4.001
16 HG3 GLU 2 3HG GLU 2 18.351 -12.697 2.874
17 H TRP 3 HN TRP 3 17.271 -15.352 0.434
18 HA TRP 3 HA TRP 3 19.945 -15.031 0.030
19 HB2 TRP 3 2HB TRP 3 17.876 -16.923 -0.781
20 HB3 TRP 3 3HB TRP 3 19.177 -16.813 -1.949
21 HD1 TRP 3 1HD TRP 3 20.328 -19.148 -1.341
22 HE1 TRP 3 1HE TRP 3 21.664 -20.146 0.704
23 HE3 TRP 3 3HE TRP 3 19.153 -15.424 1.916
24 HZ2 TRP 3 2HZ TRP 3 22.070 -19.284 3.394
25 HZ3 TRP 3 3HZ TRP 3 20.060 -15.579 4.233
26 HH2 TRP 3 2HH TRP 3 21.472 -17.425 4.990
27 HA PRO 4 HA PRO 4 20.436 -12.160 -3.152
28 HB2 PRO 4 2HB PRO 4 22.874 -12.946 -4.232
29 HB3 PRO 4 3HB PRO 4 22.659 -12.285 -2.605
30 HG2 PRO 4 2HG PRO 4 22.856 -15.246 -3.390
31 HG3 PRO 4 3HG PRO 4 23.757 -14.400 -2.112
32 HD2 PRO 4 2HD PRO 4 21.473 -15.870 -1.540
33 HD3 PRO 4 3HD PRO 4 21.827 -14.366 -0.642
34 H TRP 5 HN TRP 5 18.423 -12.662 -4.636
35 HA TRP 5 HA TRP 5 19.419 -13.928 -7.095
36 HB2 TRP 5 2HB TRP 5 17.000 -14.607 -7.452
37 HB3 TRP 5 3HB TRP 5 17.943 -15.524 -6.293
38 HD1 TRP 5 1HD TRP 5 16.579 -12.165 -5.078
39 HE1 TRP 5 1HE TRP 5 14.649 -12.480 -3.305
40 HE3 TRP 5 3HE TRP 5 16.085 -17.185 -5.725
41 HZ2 TRP 5 2HZ TRP 5 13.167 -14.741 -2.392
42 HZ3 TRP 5 3HZ TRP 5 14.373 -18.371 -4.354
43 HH2 TRP 5 2HH TRP 5 12.943 -17.230 -2.733
44 H ASN 6 HN ASN 6 16.183 -12.845 -7.251
45 HA ASN 6 HA ASN 6 16.990 -10.649 -8.862
46 HB2 ASN 6 2HB ASN 6 14.573 -12.248 -8.406
47 HB3 ASN 6 3HB ASN 6 14.170 -10.543 -8.412
48 HD21 ASN 6 1HD2 ASN 6 14.445 -13.195 -10.280
49 HD22 ASN 6 2HD2 ASN 6 14.740 -12.500 -11.838
50 H ARG 7 HN ARG 7 15.865 -8.418 -8.507
51 HA ARG 7 HA ARG 7 15.806 -7.903 -5.644
52 HB2 ARG 7 2HB ARG 7 16.633 -6.162 -8.009
53 HB3 ARG 7 3HB ARG 7 16.303 -5.467 -6.435
54 HG2 ARG 7 2HG ARG 7 18.127 -6.596 -5.405
55 HG3 ARG 7 3HG ARG 7 18.221 -7.805 -6.670
56 HD2 ARG 7 2HD ARG 7 19.608 -6.514 -7.949
57 HD3 ARG 7 3HD ARG 7 18.607 -5.090 -7.746
58 HE ARG 7 HE ARG 7 20.149 -5.820 -5.351
59 HH11 ARG 7 2HH2 ARG 7 20.116 -3.958 -8.336
60 HH12 ARG 7 1HH2 ARG 7 21.330 -2.844 -7.805
61 HH21 ARG 7 2HH1 ARG 7 21.751 -4.349 -4.649
62 HH22 ARG 7 1HH1 ARG 7 22.267 -3.068 -5.693
63 H LYS 8 HN LYS 8 13.434 -8.816 -6.280
64 HA LYS 8 HA LYS 8 11.608 -7.479 -7.724
65 HB2 LYS 8 2HB LYS 8 10.171 -8.858 -6.709
66 HB3 LYS 8 3HB LYS 8 11.564 -9.491 -5.856
67 HG2 LYS 8 2HG LYS 8 9.816 -7.187 -4.866
68 HG3 LYS 8 3HG LYS 8 9.688 -8.845 -4.314
69 HD2 LYS 8 2HD LYS 8 12.463 -7.937 -4.146
70 HD3 LYS 8 3HD LYS 8 11.411 -6.822 -3.300
71 HE2 LYS 8 2HE LYS 8 10.340 -9.008 -2.262
72 HE3 LYS 8 3HE LYS 8 11.820 -9.784 -2.787
73 HZ1 LYS 8 3HZ LYS 8 11.956 -8.912 -0.541
74 HZ2 LYS 8 1HZ LYS 8 13.066 -8.209 -1.512
75 HZ3 LYS 8 2HZ LYS 8 11.718 -7.390 -1.086
76 HA HYP 9 HA HYP 9 10.894 -3.445 -6.529
77 HB2 HYP 9 3HB HYP 9 8.651 -2.843 -7.105
78 HB3 HYP 9 2HB HYP 9 7.944 -4.048 -6.024
79 HG HYP 9 2HG HYP 9 7.689 -5.031 -8.172
80 HD22 HYP 9 2HD HYP 9 8.754 -6.627 -6.512
81 HD23 HYP 9 3HD HYP 9 9.766 -6.812 -7.971
82 HD1 HYP 9 1HG HYP 9 9.450 -5.053 -9.680
83 H THR 10 HN THR 10 9.558 -1.846 -4.936
84 HA THR 10 HA THR 10 10.314 -2.368 -2.300
85 HB THR 10 HB THR 10 8.113 -0.524 -3.370
86 HG1 THR 10 1HG THR 10 11.016 -0.288 -2.984
87 HG21 THR 10 3HG2 THR 10 9.796 -0.645 -0.842
88 HG22 THR 10 1HG2 THR 10 9.291 0.934 -1.491
89 HG23 THR 10 2HG2 THR 10 8.066 -0.264 -1.010
90 H LYS 11 HN LYS 11 8.484 -2.156 -0.469
91 HA LYS 11 HA LYS 11 7.101 -4.657 -0.665
92 HB2 LYS 11 2HB LYS 11 8.025 -2.869 1.417
93 HB3 LYS 11 3HB LYS 11 6.353 -3.311 1.697
94 HG2 LYS 11 2HG LYS 11 7.499 -5.083 2.735
95 HG3 LYS 11 3HG LYS 11 7.137 -5.764 1.162
96 HD2 LYS 11 2HD LYS 11 9.466 -6.238 1.633
97 HD3 LYS 11 3HD LYS 11 9.428 -5.027 0.367
98 HE2 LYS 11 2HE LYS 11 10.612 -3.584 1.657
99 HE3 LYS 11 3HE LYS 11 9.392 -3.656 2.913
100 HZ1 LYS 11 3HZ LYS 11 11.066 -4.593 4.030
101 HZ2 LYS 11 1HZ LYS 11 10.604 -5.967 3.276
102 HZ3 LYS 11 2HZ LYS 11 11.864 -5.103 2.699
103 H PHE 12 HN PHE 12 4.756 -4.893 -0.207
104 HA PHE 12 HA PHE 12 3.180 -3.661 -1.987
105 HB2 PHE 12 2HB PHE 12 1.374 -4.141 -0.048
106 HB3 PHE 12 3HB PHE 12 2.222 -5.480 -0.795
107 HD1 PHE 12 2HD PHE 12 2.325 -3.206 2.139
108 HD2 PHE 12 1HD PHE 12 3.525 -6.931 0.500
109 HE1 PHE 12 2HE PHE 12 3.182 -3.918 4.388
110 HE2 PHE 12 1HE PHE 12 4.383 -7.644 2.749
111 HZ PHE 12 HZ PHE 12 4.201 -6.129 4.667
112 HA HYP 13 HA HYP 13 2.102 0.390 -1.086
113 HB2 HYP 13 3HB HYP 13 -0.087 0.844 -1.939
114 HB3 HYP 13 2HB HYP 13 -0.856 -0.330 -0.867
115 HG HYP 13 2HG HYP 13 -0.828 -1.447 -2.964
116 HD22 HYP 13 2HD HYP 13 0.115 -2.889 -1.100
117 HD23 HYP 13 3HD HYP 13 1.289 -3.107 -2.426
118 HD1 HYP 13 1HG HYP 13 1.090 -1.469 -4.268
119 H ILE 14 HN ILE 14 1.101 2.107 0.318
120 HA ILE 14 HA ILE 14 1.357 1.701 3.008
121 HB ILE 14 HB ILE 14 0.800 3.795 1.354
122 HG12 ILE 14 2HG1 ILE 14 0.955 5.179 3.359
123 HG13 ILE 14 3HG1 ILE 14 0.590 3.801 4.379
124 HG21 ILE 14 1HG2 ILE 14 -1.592 3.598 3.193
125 HG22 ILE 14 2HG2 ILE 14 -1.249 4.832 1.959
126 HG23 ILE 14 3HG2 ILE 14 -1.637 3.166 1.467
127 HD11 ILE 14 3HD1 ILE 14 3.135 4.605 3.718
128 HD12 ILE 14 1HD1 ILE 14 2.710 2.951 4.218
129 HD13 ILE 14 2HD1 ILE 14 2.842 3.351 2.489
130 HA HYP 15 HA HYP 15 -1.542 -1.181 4.335
131 HB2 HYP 15 3HB HYP 15 -1.592 -1.023 6.721
132 HB3 HYP 15 2HB HYP 15 -2.013 0.693 6.698
133 HG HYP 15 2HG HYP 15 0.298 0.708 7.256
134 HD22 HYP 15 2HD HYP 15 -0.233 2.280 5.336
135 HD23 HYP 15 3HD HYP 15 1.231 1.425 4.778
136 HD1 HYP 15 1HG HYP 15 1.808 -0.597 6.078
137 H SER 16 HN SER 16 -3.693 -1.716 4.159
138 HA SER 16 HA SER 16 -5.696 -0.014 5.033
139 HB2 SER 16 2HB SER 16 -4.831 0.537 2.350
140 HB3 SER 16 3HB SER 16 -6.406 -0.225 2.237
141 HG SER 16 HG SER 16 -5.961 1.897 4.127
142 HA HYP 17 HA HYP 17 -8.233 -3.513 4.912
143 HB2 HYP 17 3HB HYP 17 -10.531 -2.956 4.542
144 HB3 HYP 17 2HB HYP 17 -10.220 -2.334 2.916
145 HG HYP 17 2HG HYP 17 -10.481 -0.359 4.214
146 HD22 HYP 17 2HD HYP 17 -8.368 -0.309 2.811
147 HD23 HYP 17 3HD HYP 17 -7.817 0.263 4.408
148 HD1 HYP 17 1HG HYP 17 -9.410 -0.135 6.257
149 H ASN 18 HN ASN 18 -10.085 -4.784 3.155
150 HA ASN 18 HA ASN 18 -8.277 -5.731 1.097
151 HB2 ASN 18 2HB ASN 18 -10.984 -6.840 2.016
152 HB3 ASN 18 3HB ASN 18 -9.904 -7.622 0.879
153 HD21 ASN 18 1HD2 ASN 18 -10.818 -7.320 4.074
154 HD22 ASN 18 2HD2 ASN 18 -9.488 -8.105 4.859
155 HA HYP 19 HA HYP 19 -10.536 -4.010 -2.212
156 HB2 HYP 19 3HB HYP 19 -10.113 -5.311 -4.175
157 HB3 HYP 19 2HB HYP 19 -10.894 -6.749 -3.510
158 HG HYP 19 2HG HYP 19 -8.579 -7.246 -3.304
159 HD22 HYP 19 2HD HYP 19 -9.834 -7.622 -1.131
160 HD23 HYP 19 3HD HYP 19 -8.371 -6.740 -0.616
161 HD1 HYP 19 1HG HYP 19 -7.104 -5.673 -2.452
162 H ARG 20 HN ARG 20 -12.377 -5.619 -0.104
163 HA ARG 20 HA ARG 20 -14.670 -4.492 -1.350
164 HB2 ARG 20 2HB ARG 20 -14.494 -7.022 -2.053
165 HB3 ARG 20 3HB ARG 20 -14.938 -7.371 -0.394
166 HG2 ARG 20 2HG ARG 20 -17.055 -7.298 -1.356
167 HG3 ARG 20 3HG ARG 20 -16.899 -5.623 -0.867
168 HD2 ARG 20 2HD ARG 20 -17.624 -5.490 -3.131
169 HD3 ARG 20 3HD ARG 20 -15.900 -5.185 -3.226
170 HE ARG 20 HE ARG 20 -16.338 -8.006 -3.469
171 HH11 ARG 20 2HH2 ARG 20 -16.845 -5.027 -5.272
172 HH12 ARG 20 1HH2 ARG 20 -16.764 -5.800 -6.820
173 HH21 ARG 20 2HH1 ARG 20 -16.233 -9.026 -5.511
174 HH22 ARG 20 1HH1 ARG 20 -16.414 -8.090 -6.957
175 H ASP 21 HN ASP 21 -12.851 -4.160 1.042
176 HA ASP 21 HA ASP 21 -14.319 -5.059 3.279
177 HB2 ASP 21 2HB ASP 21 -11.781 -3.833 2.741
178 HB3 ASP 21 3HB ASP 21 -12.611 -2.781 3.870
179 H LYS 22 HN LYS 22 -16.232 -4.089 3.965
180 HA LYS 22 HA LYS 22 -17.923 -2.615 3.934
181 HB2 LYS 22 2HB LYS 22 -17.581 -0.966 5.519
182 HB3 LYS 22 3HB LYS 22 -16.285 -2.089 5.873
183 HG2 LYS 22 2HG LYS 22 -14.777 -0.429 5.560
184 HG3 LYS 22 3HG LYS 22 -15.259 -0.322 3.878
185 HD2 LYS 22 2HD LYS 22 -16.858 1.396 4.311
186 HD3 LYS 22 3HD LYS 22 -16.914 1.043 6.026
187 HE2 LYS 22 2HE LYS 22 -14.928 2.186 6.480
188 HE3 LYS 22 3HE LYS 22 -14.248 1.863 4.897
189 HZ1 LYS 22 3HZ LYS 22 -15.661 3.484 3.953
190 HZ2 LYS 22 1HZ LYS 22 -16.517 3.676 5.331
191 HZ3 LYS 22 2HZ LYS 22 -14.963 4.174 5.258
192 H TRP 23 HN TRP 23 -16.500 -2.809 1.359
193 HA TRP 23 HA TRP 23 -16.027 -0.266 0.291
194 HB2 TRP 23 2HB TRP 23 -15.391 -1.449 -1.458
195 HB3 TRP 23 3HB TRP 23 -15.798 -2.890 -0.549
196 HD1 TRP 23 1HD TRP 23 -18.319 -3.971 -1.090
197 HE1 TRP 23 1HE TRP 23 -19.822 -3.989 -3.259
198 HE3 TRP 23 3HE TRP 23 -15.972 -0.088 -3.385
199 HZ2 TRP 23 2HZ TRP 23 -19.860 -2.412 -5.637
200 HZ3 TRP 23 3HZ TRP 23 -16.805 0.610 -5.629
201 HH2 TRP 23 2HH TRP 23 -18.680 -0.484 -6.752
202 H CYS 24 HN CYS 24 -17.607 0.166 -1.891
203 HA CYS 24 HA CYS 24 -20.228 0.575 -0.658
204 HB2 CYS 24 3HB CYS 24 -19.480 2.687 -1.126
205 HB3 CYS 24 2HB CYS 24 -18.563 2.187 -2.533
206 H ARG 25 HN ARG 25 -21.172 -1.455 -1.230
207 HA ARG 25 HA ARG 25 -20.923 -2.350 -3.919
208 HB2 ARG 25 2HB ARG 25 -21.175 -3.768 -1.711
209 HB3 ARG 25 3HB ARG 25 -22.891 -3.447 -1.871
210 HG2 ARG 25 2HG ARG 25 -21.907 -4.269 -4.458
211 HG3 ARG 25 3HG ARG 25 -21.302 -5.408 -3.271
212 HD2 ARG 25 2HD ARG 25 -23.348 -6.408 -3.420
213 HD3 ARG 25 3HD ARG 25 -23.939 -5.078 -2.443
214 HE ARG 25 HE ARG 25 -25.025 -4.214 -4.326
215 HH11 ARG 25 2HH2 ARG 25 -22.556 -6.491 -5.374
216 HH12 ARG 25 1HH2 ARG 25 -23.037 -6.443 -7.038
217 HH21 ARG 25 2HH1 ARG 25 -25.659 -4.149 -6.519
218 HH22 ARG 25 1HH1 ARG 25 -24.814 -5.101 -7.694
219 H LEU 26 HN LEU 26 -23.154 -0.443 -1.955
220 HA LEU 26 HA LEU 26 -24.789 -0.012 -4.314
221 HB2 LEU 26 2HB LEU 26 -26.792 -0.191 -2.572
222 HB3 LEU 26 3HB LEU 26 -26.271 -1.519 -3.590
223 HG LEU 26 HG LEU 26 -26.713 -1.870 -1.029
224 HD11 LEU 26 1HD1 LEU 26 -24.605 -3.062 -2.784
225 HD12 LEU 26 2HD1 LEU 26 -24.693 -3.564 -1.078
226 HD13 LEU 26 3HD1 LEU 26 -26.103 -3.775 -2.142
227 HD21 LEU 26 3HD2 LEU 26 -25.249 -1.108 0.471
228 HD22 LEU 26 1HD2 LEU 26 -23.849 -1.553 -0.534
229 HD23 LEU 26 2HD2 LEU 26 -24.689 -0.008 -0.812
230 H ASN 27 HN ASN 27 -26.724 1.638 -3.223
231 HA ASN 27 HA ASN 27 -25.491 4.006 -3.067
232 HB2 ASN 27 2HB ASN 27 -27.644 4.617 -1.570
233 HB3 ASN 27 3HB ASN 27 -27.811 4.221 -3.269
234 HD21 ASN 27 1HD2 ASN 27 -28.789 3.527 -0.160
235 HD22 ASN 27 2HD2 ASN 27 -29.573 2.002 -0.406
236 H LEU 28 HN LEU 28 -23.684 4.229 -1.658
237 HA LEU 28 HA LEU 28 -23.583 3.163 0.921
238 HB2 LEU 28 2HB LEU 28 -21.822 4.279 -0.818
239 HB3 LEU 28 3HB LEU 28 -21.991 5.580 0.344
240 HG LEU 28 HG LEU 28 -21.251 4.172 2.152
241 HD11 LEU 28 1HD1 LEU 28 -21.898 2.028 2.044
242 HD12 LEU 28 2HD1 LEU 28 -21.869 1.999 0.265
243 HD13 LEU 28 3HD1 LEU 28 -20.360 1.782 1.182
244 HD21 LEU 28 3HD2 LEU 28 -19.642 4.597 -0.248
245 HD22 LEU 28 1HD2 LEU 28 -19.253 4.884 1.465
246 HD23 LEU 28 2HD2 LEU 28 -19.040 3.261 0.765
247 H GLY 29 HN GLY 29 -22.739 5.355 2.548
248 HA2 GLY 29 2HA GLY 29 -24.791 7.353 2.633
249 HA3 GLY 29 1HA GLY 29 -25.053 6.085 3.814
250 HA PRO 30 HA PRO 30 -22.733 8.330 6.682
251 HB2 PRO 30 2HB PRO 30 -21.853 6.295 8.359
252 HB3 PRO 30 3HB PRO 30 -23.536 6.817 8.207
253 HG2 PRO 30 2HG PRO 30 -22.201 4.439 6.799
254 HG3 PRO 30 3HG PRO 30 -23.732 4.444 7.700
255 HD2 PRO 30 2HD PRO 30 -23.682 4.658 4.934
256 HD3 PRO 30 3HD PRO 30 -24.906 5.547 5.886
257 H ALA 31 HN ALA 31 -20.982 8.779 4.553
258 HA ALA 31 HA ALA 31 -18.592 9.205 5.565
259 HB1 ALA 31 1HB ALA 31 -17.921 7.136 6.297
260 HB2 ALA 31 2HB ALA 31 -18.917 6.270 5.103
261 HB3 ALA 31 3HB ALA 31 -17.369 6.998 4.611
262 H TRP 32 HN TRP 32 -20.595 8.081 2.926
263 HA TRP 32 HA TRP 32 -18.813 9.505 1.072
264 HB2 TRP 32 2HB TRP 32 -19.123 6.820 1.002
265 HB3 TRP 32 3HB TRP 32 -20.469 7.303 -0.009
266 HD1 TRP 32 1HD TRP 32 -19.871 8.151 -2.469
267 HE1 TRP 32 1HE TRP 32 -17.693 8.367 -3.943
268 HE3 TRP 32 3HE TRP 32 -16.586 7.379 1.335
269 HZ2 TRP 32 2HZ TRP 32 -14.904 8.195 -3.366
270 HZ3 TRP 32 3HZ TRP 32 -14.152 7.419 0.794
271 HH2 TRP 32 2HH TRP 32 -13.296 7.809 -1.462
272 H GLY 33 HN GLY 33 -20.963 8.868 -1.032
273 HA2 GLY 33 2HA GLY 33 -23.187 10.490 0.009
274 HA3 GLY 33 1HA GLY 33 -22.316 11.027 -1.414
275 H GLY 34 HN GLY 34 -23.576 10.638 -3.189
276 HA2 GLY 34 2HA GLY 34 -25.289 8.285 -3.251
277 HA3 GLY 34 1HA GLY 34 -25.255 9.617 -4.388
278 H ARG 35 HN ARG 35 -25.156 8.227 -6.237
279 HA ARG 35 HA ARG 35 -24.259 6.934 -7.727
280 HB2 ARG 35 2HB ARG 35 -22.536 8.990 -7.375
281 HB3 ARG 35 3HB ARG 35 -21.450 7.692 -6.920
282 HG2 ARG 35 2HG ARG 35 -22.817 6.834 -9.295
283 HG3 ARG 35 3HG ARG 35 -22.306 8.488 -9.574
284 HD2 ARG 35 2HD ARG 35 -20.226 6.829 -8.257
285 HD3 ARG 35 3HD ARG 35 -20.686 6.231 -9.839
286 HE ARG 35 HE ARG 35 -20.316 9.082 -9.972
287 HH11 ARG 35 2HH2 ARG 35 -18.481 6.094 -9.680
288 HH12 ARG 35 1HH2 ARG 35 -17.054 6.749 -10.413
289 HH21 ARG 35 2HH1 ARG 35 -18.435 9.946 -10.938
290 HH22 ARG 35 1HH1 ARG 35 -17.029 8.955 -11.134
291 H CYS 36 HN CYS 36 -22.145 5.280 -8.113
292 HA CYS 36 HA CYS 36 -21.504 3.228 -7.615
293 HB2 CYS 36 3HB CYS 36 -19.699 4.258 -6.552
294 HB3 CYS 36 2HB CYS 36 -20.667 4.794 -5.193
Start of MODEL 14
1 H1 TRP 1 HN TRP 1 32.181 -5.683 4.662
2 HA TRP 1 HA TRP 1 30.735 -5.095 2.956
3 HB2 TRP 1 2HB TRP 1 32.733 -7.068 1.840
4 HB3 TRP 1 3HB TRP 1 31.773 -5.977 0.862
5 HD1 TRP 1 1HD TRP 1 34.408 -5.692 3.736
6 HE1 TRP 1 1HE TRP 1 35.851 -3.500 3.453
7 HE3 TRP 1 3HE TRP 1 31.866 -3.910 -0.290
8 HZ2 TRP 1 2HZ TRP 1 35.768 -1.316 1.618
9 HZ3 TRP 1 3HZ TRP 1 32.611 -1.741 -1.268
10 HH2 TRP 1 2HH TRP 1 34.490 -0.455 -0.379
11 H GLU 2 HN GLU 2 29.108 -6.696 4.408
12 HA GLU 2 HA GLU 2 28.006 -8.453 2.363
13 HB2 GLU 2 2HB GLU 2 27.214 -9.937 4.286
14 HB3 GLU 2 3HB GLU 2 28.936 -9.969 3.963
15 HG2 GLU 2 2HG GLU 2 29.476 -8.888 5.938
16 HG3 GLU 2 3HG GLU 2 28.038 -7.887 5.915
17 H TRP 3 HN TRP 3 26.028 -7.713 1.738
18 HA TRP 3 HA TRP 3 24.383 -6.419 3.800
19 HB2 TRP 3 2HB TRP 3 25.531 -4.871 2.080
20 HB3 TRP 3 3HB TRP 3 24.388 -5.531 0.927
21 HD1 TRP 3 1HD TRP 3 21.930 -4.526 0.996
22 HE1 TRP 3 1HE TRP 3 20.632 -2.696 2.386
23 HE3 TRP 3 3HE TRP 3 25.507 -3.944 4.562
24 HZ2 TRP 3 2HZ TRP 3 21.234 -1.245 4.768
25 HZ3 TRP 3 3HZ TRP 3 25.073 -2.301 6.385
26 HH2 TRP 3 2HH TRP 3 23.023 -0.975 6.523
27 HA PRO 4 HA PRO 4 22.734 -10.227 1.623
28 HB2 PRO 4 2HB PRO 4 21.929 -11.586 3.911
29 HB3 PRO 4 3HB PRO 4 23.585 -11.547 3.295
30 HG2 PRO 4 2HG PRO 4 22.392 -9.794 5.514
31 HG3 PRO 4 3HG PRO 4 23.907 -10.723 5.562
32 HD2 PRO 4 2HD PRO 4 23.892 -8.011 4.969
33 HD3 PRO 4 3HD PRO 4 25.055 -9.105 4.165
34 H TRP 5 HN TRP 5 20.992 -7.483 2.483
35 HA TRP 5 HA TRP 5 18.877 -7.070 1.797
36 HB2 TRP 5 2HB TRP 5 18.059 -9.945 2.001
37 HB3 TRP 5 3HB TRP 5 17.394 -8.666 1.006
38 HD1 TRP 5 1HD TRP 5 20.500 -7.863 -0.110
39 HE1 TRP 5 1HE TRP 5 21.555 -9.294 -2.060
40 HE3 TRP 5 3HE TRP 5 17.496 -11.915 0.534
41 HZ2 TRP 5 2HZ TRP 5 21.026 -11.901 -3.091
42 HZ3 TRP 5 3HZ TRP 5 17.831 -13.861 -0.988
43 HH2 TRP 5 2HH TRP 5 19.523 -13.898 -2.752
44 H ASN 6 HN ASN 6 20.035 -8.914 4.496
45 HA ASN 6 HA ASN 6 17.962 -9.330 6.091
46 HB2 ASN 6 2HB ASN 6 19.474 -8.976 7.991
47 HB3 ASN 6 3HB ASN 6 20.408 -9.653 6.671
48 HD21 ASN 6 1HD2 ASN 6 20.954 -7.823 9.038
49 HD22 ASN 6 2HD2 ASN 6 21.859 -6.496 8.390
50 H ARG 7 HN ARG 7 16.345 -8.059 7.043
51 HA ARG 7 HA ARG 7 15.091 -6.263 7.221
52 HB2 ARG 7 2HB ARG 7 17.039 -6.370 9.193
53 HB3 ARG 7 3HB ARG 7 17.222 -4.721 8.631
54 HG2 ARG 7 2HG ARG 7 14.403 -5.204 8.838
55 HG3 ARG 7 3HG ARG 7 15.128 -5.847 10.298
56 HD2 ARG 7 2HD ARG 7 16.236 -3.208 9.509
57 HD3 ARG 7 3HD ARG 7 14.517 -3.162 9.847
58 HE ARG 7 HE ARG 7 16.649 -3.584 11.781
59 HH11 ARG 7 2HH2 ARG 7 13.276 -4.310 11.093
60 HH12 ARG 7 1HH2 ARG 7 12.853 -4.538 12.757
61 HH21 ARG 7 2HH1 ARG 7 16.092 -3.886 13.976
62 HH22 ARG 7 1HH1 ARG 7 14.465 -4.296 14.408
63 H LYS 8 HN LYS 8 15.020 -5.525 4.980
64 HA LYS 8 HA LYS 8 16.438 -3.000 4.631
65 HB2 LYS 8 2HB LYS 8 17.298 -5.316 3.365
66 HB3 LYS 8 3HB LYS 8 16.288 -4.555 2.153
67 HG2 LYS 8 2HG LYS 8 18.336 -2.922 3.692
68 HG3 LYS 8 3HG LYS 8 18.824 -3.875 2.305
69 HD2 LYS 8 2HD LYS 8 16.910 -2.692 1.010
70 HD3 LYS 8 3HD LYS 8 16.811 -1.589 2.368
71 HE2 LYS 8 2HE LYS 8 18.299 -0.496 0.877
72 HE3 LYS 8 3HE LYS 8 19.371 -1.231 2.051
73 HZ1 LYS 8 3HZ LYS 8 20.224 -2.512 0.488
74 HZ2 LYS 8 1HZ LYS 8 18.768 -3.000 -0.070
75 HZ3 LYS 8 2HZ LYS 8 19.433 -1.616 -0.625
76 HA HYP 9 HA HYP 9 11.828 -3.133 4.069
77 HB2 HYP 9 3HB HYP 9 10.919 -1.796 5.833
78 HB3 HYP 9 2HB HYP 9 12.118 -0.516 5.615
79 HG HYP 9 2HG HYP 9 12.881 -1.649 7.560
80 HD22 HYP 9 2HD HYP 9 14.724 -1.351 5.842
81 HD23 HYP 9 3HD HYP 9 14.905 -3.051 6.352
82 HD1 HYP 9 1HG HYP 9 12.986 -3.965 7.615
83 H THR 10 HN THR 10 10.753 -2.388 2.314
84 HA THR 10 HA THR 10 11.499 0.289 1.329
85 HB THR 10 HB THR 10 12.078 -0.993 -0.513
86 HG1 THR 10 1HG THR 10 10.012 -1.338 -1.774
87 HG21 THR 10 3HG2 THR 10 11.812 -3.215 0.519
88 HG22 THR 10 1HG2 THR 10 10.041 -3.052 0.480
89 HG23 THR 10 2HG2 THR 10 10.954 -3.208 -1.040
90 H LYS 11 HN LYS 11 9.583 1.222 -0.064
91 HA LYS 11 HA LYS 11 7.440 1.496 1.785
92 HB2 LYS 11 2HB LYS 11 8.373 3.337 0.377
93 HB3 LYS 11 3HB LYS 11 7.703 2.560 -1.043
94 HG2 LYS 11 2HG LYS 11 5.916 3.942 -0.563
95 HG3 LYS 11 3HG LYS 11 5.455 2.591 0.453
96 HD2 LYS 11 2HD LYS 11 5.823 3.758 2.386
97 HD3 LYS 11 3HD LYS 11 7.333 4.432 1.804
98 HE2 LYS 11 2HE LYS 11 5.107 5.577 0.305
99 HE3 LYS 11 3HE LYS 11 4.815 5.756 2.023
100 HZ1 LYS 11 3HZ LYS 11 6.159 7.531 0.944
101 HZ2 LYS 11 1HZ LYS 11 6.834 6.877 2.280
102 HZ3 LYS 11 2HZ LYS 11 7.384 6.461 0.800
103 H PHE 12 HN PHE 12 6.271 -0.385 2.087
104 HA PHE 12 HA PHE 12 5.576 -2.051 -0.100
105 HB2 PHE 12 2HB PHE 12 4.171 -1.870 2.610
106 HB3 PHE 12 3HB PHE 12 4.483 -3.312 1.667
107 HD1 PHE 12 1HD PHE 12 7.109 -3.739 1.248
108 HD2 PHE 12 2HD PHE 12 5.459 -1.554 4.490
109 HE1 PHE 12 1HE PHE 12 9.181 -4.174 2.596
110 HE2 PHE 12 2HE PHE 12 7.532 -1.987 5.838
111 HZ PHE 12 HZ PHE 12 9.368 -3.293 4.875
112 HA HYP 13 HA HYP 13 1.799 -0.690 -1.619
113 HB2 HYP 13 3HB HYP 13 0.408 -2.548 -2.204
114 HB3 HYP 13 2HB HYP 13 0.289 -3.110 -0.532
115 HG HYP 13 2HG HYP 13 1.841 -4.624 -1.505
116 HD22 HYP 13 2HD HYP 13 2.705 -3.634 0.665
117 HD23 HYP 13 3HD HYP 13 4.105 -3.509 -0.432
118 HD1 HYP 13 1HG HYP 13 3.582 -3.848 -2.825
119 H ILE 14 HN ILE 14 -0.528 0.004 -1.389
120 HA ILE 14 HA ILE 14 -1.147 1.432 0.802
121 HB ILE 14 HB ILE 14 -2.940 -0.083 -1.086
122 HG12 ILE 14 2HG1 ILE 14 -2.965 2.804 -1.277
123 HG13 ILE 14 3HG1 ILE 14 -1.321 2.209 -1.388
124 HG21 ILE 14 1HG2 ILE 14 -3.837 2.147 0.743
125 HG22 ILE 14 2HG2 ILE 14 -4.827 1.089 -0.291
126 HG23 ILE 14 3HG2 ILE 14 -4.024 0.426 1.153
127 HD11 ILE 14 3HD1 ILE 14 -3.639 1.747 -3.227
128 HD12 ILE 14 1HD1 ILE 14 -1.911 1.950 -3.604
129 HD13 ILE 14 2HD1 ILE 14 -2.515 0.386 -3.003
130 HA HYP 15 HA HYP 15 -1.248 -1.016 4.329
131 HB2 HYP 15 3HB HYP 15 -2.271 0.315 6.035
132 HB3 HYP 15 2HB HYP 15 -3.753 0.549 5.101
133 HG HYP 15 2HG HYP 15 -2.629 2.630 4.867
134 HD22 HYP 15 2HD HYP 15 -3.372 1.687 2.631
135 HD23 HYP 15 3HD HYP 15 -1.696 2.216 2.320
136 HD1 HYP 15 1HG HYP 15 -0.370 2.704 4.350
137 H SER 16 HN SER 16 -2.881 -2.213 5.939
138 HA SER 16 HA SER 16 -4.128 -4.244 4.795
139 HB2 SER 16 2HB SER 16 -3.938 -3.295 7.351
140 HB3 SER 16 3HB SER 16 -5.648 -3.035 7.070
141 HG SER 16 HG SER 16 -4.182 -5.469 7.220
142 HA HYP 17 HA HYP 17 -6.949 -1.771 2.279
143 HB2 HYP 17 3HB HYP 17 -7.023 -2.959 0.204
144 HB3 HYP 17 2HB HYP 17 -7.341 -4.510 0.991
145 HG HYP 17 2HG HYP 17 -5.042 -4.659 0.405
146 HD22 HYP 17 2HD HYP 17 -5.449 -5.255 2.838
147 HD23 HYP 17 3HD HYP 17 -4.031 -4.175 2.909
148 HD1 HYP 17 1HG HYP 17 -3.595 -2.899 0.835
149 H ASN 18 HN ASN 18 -9.262 -1.782 1.598
150 HA ASN 18 HA ASN 18 -11.029 -3.710 1.894
151 HB2 ASN 18 2HB ASN 18 -10.757 -4.111 4.224
152 HB3 ASN 18 3HB ASN 18 -10.504 -2.416 4.587
153 HD21 ASN 18 1HD2 ASN 18 -12.874 -4.826 3.600
154 HD22 ASN 18 2HD2 ASN 18 -14.291 -4.021 4.187
155 HA HYP 19 HA HYP 19 -12.884 0.784 2.727
156 HB2 HYP 19 3HB HYP 19 -11.633 2.708 3.404
157 HB3 HYP 19 2HB HYP 19 -10.363 2.425 2.210
158 HG HYP 19 2HG HYP 19 -9.369 1.697 4.243
159 HD22 HYP 19 2HD HYP 19 -9.153 -0.033 2.400
160 HD23 HYP 19 3HD HYP 19 -9.668 -0.995 3.812
161 HD1 HYP 19 1HG HYP 19 -10.537 0.333 5.709
162 H ARG 20 HN ARG 20 -11.417 -0.533 0.100
163 HA ARG 20 HA ARG 20 -12.990 1.253 -1.545
164 HB2 ARG 20 2HB ARG 20 -10.249 1.364 -1.675
165 HB3 ARG 20 3HB ARG 20 -10.548 0.091 -2.842
166 HG2 ARG 20 2HG ARG 20 -12.458 1.878 -3.634
167 HG3 ARG 20 3HG ARG 20 -11.284 2.994 -2.965
168 HD2 ARG 20 2HD ARG 20 -10.569 2.801 -5.207
169 HD3 ARG 20 3HD ARG 20 -9.518 1.665 -4.385
170 HE ARG 20 HE ARG 20 -11.918 0.308 -5.206
171 HH11 ARG 20 2HH2 ARG 20 -8.965 1.684 -6.535
172 HH12 ARG 20 1HH2 ARG 20 -8.937 0.626 -7.906
173 HH21 ARG 20 2HH1 ARG 20 -11.881 -1.088 -7.014
174 HH22 ARG 20 1HH1 ARG 20 -10.608 -0.962 -8.180
175 H ASP 21 HN ASP 21 -13.402 -1.429 -0.253
176 HA ASP 21 HA ASP 21 -13.841 -2.909 -2.720
177 HB2 ASP 21 2HB ASP 21 -12.142 -4.220 -1.785
178 HB3 ASP 21 3HB ASP 21 -12.564 -3.785 -0.140
179 H LYS 22 HN LYS 22 -16.033 -3.422 -2.928
180 HA LYS 22 HA LYS 22 -18.159 -3.748 -2.435
181 HB2 LYS 22 2HB LYS 22 -16.835 -5.357 -0.690
182 HB3 LYS 22 3HB LYS 22 -17.749 -4.374 0.436
183 HG2 LYS 22 2HG LYS 22 -19.794 -5.193 -0.281
184 HG3 LYS 22 3HG LYS 22 -19.274 -5.350 -1.947
185 HD2 LYS 22 2HD LYS 22 -18.346 -7.470 -1.615
186 HD3 LYS 22 3HD LYS 22 -17.974 -7.166 0.071
187 HE2 LYS 22 2HE LYS 22 -20.864 -7.040 -0.357
188 HE3 LYS 22 3HE LYS 22 -20.230 -8.554 -0.973
189 HZ1 LYS 22 3HZ LYS 22 -19.259 -7.692 1.608
190 HZ2 LYS 22 1HZ LYS 22 -20.808 -8.207 1.541
191 HZ3 LYS 22 2HZ LYS 22 -19.598 -9.197 1.073
192 H TRP 23 HN TRP 23 -16.446 -1.191 -1.607
193 HA TRP 23 HA TRP 23 -17.951 0.033 0.441
194 HB2 TRP 23 2HB TRP 23 -16.341 1.535 0.316
195 HB3 TRP 23 3HB TRP 23 -15.614 0.565 -0.951
196 HD1 TRP 23 1HD TRP 23 -16.400 1.329 -3.579
197 HE1 TRP 23 1HE TRP 23 -16.857 3.707 -4.628
198 HE3 TRP 23 3HE TRP 23 -17.155 3.717 0.846
199 HZ2 TRP 23 2HZ TRP 23 -17.467 6.263 -3.515
200 HZ3 TRP 23 3HZ TRP 23 -17.676 6.152 0.777
201 HH2 TRP 23 2HH TRP 23 -17.837 7.422 -1.306
202 H CYS 24 HN CYS 24 -19.129 2.256 -0.149
203 HA CYS 24 HA CYS 24 -20.275 2.792 -2.514
204 HB2 CYS 24 3HB CYS 24 -21.315 0.298 -1.589
205 HB3 CYS 24 2HB CYS 24 -22.599 1.488 -1.504
206 H ARG 25 HN ARG 25 -20.379 4.903 -1.738
207 HA ARG 25 HA ARG 25 -21.165 5.482 0.867
208 HB2 ARG 25 2HB ARG 25 -19.877 6.869 -1.095
209 HB3 ARG 25 3HB ARG 25 -21.471 7.573 -1.278
210 HG2 ARG 25 2HG ARG 25 -21.421 8.601 0.806
211 HG3 ARG 25 3HG ARG 25 -20.449 7.337 1.532
212 HD2 ARG 25 2HD ARG 25 -18.440 8.296 0.870
213 HD3 ARG 25 3HD ARG 25 -19.103 8.927 -0.624
214 HE ARG 25 HE ARG 25 -20.414 10.450 1.234
215 HH11 ARG 25 2HH2 ARG 25 -17.013 9.640 0.846
216 HH12 ARG 25 1HH2 ARG 25 -16.448 11.115 1.557
217 HH21 ARG 25 2HH1 ARG 25 -19.671 12.397 2.172
218 HH22 ARG 25 1HH1 ARG 25 -17.971 12.694 2.318
219 H LEU 26 HN LEU 26 -22.935 4.720 -2.023
220 HA LEU 26 HA LEU 26 -25.284 6.216 -1.315
221 HB2 LEU 26 2HB LEU 26 -24.990 4.038 -3.380
222 HB3 LEU 26 3HB LEU 26 -26.246 5.255 -3.279
223 HG LEU 26 HG LEU 26 -24.898 6.030 -4.996
224 HD11 LEU 26 1HD1 LEU 26 -25.146 7.575 -2.805
225 HD12 LEU 26 2HD1 LEU 26 -23.372 7.548 -2.956
226 HD13 LEU 26 3HD1 LEU 26 -24.373 8.118 -4.313
227 HD21 LEU 26 3HD2 LEU 26 -22.273 5.855 -3.619
228 HD22 LEU 26 1HD2 LEU 26 -23.011 4.323 -4.145
229 HD23 LEU 26 2HD2 LEU 26 -22.698 5.614 -5.330
230 H ASN 27 HN ASN 27 -27.233 4.149 -1.980
231 HA ASN 27 HA ASN 27 -27.567 3.139 0.599
232 HB2 ASN 27 2HB ASN 27 -28.987 2.988 -2.031
233 HB3 ASN 27 3HB ASN 27 -29.289 1.631 -0.965
234 HD21 ASN 27 1HD2 ASN 27 -31.464 2.745 -1.271
235 HD22 ASN 27 2HD2 ASN 27 -31.937 3.891 -0.061
236 H LEU 28 HN LEU 28 -27.236 0.980 1.393
237 HA LEU 28 HA LEU 28 -26.047 -0.903 -0.513
238 HB2 LEU 28 2HB LEU 28 -24.480 0.432 1.152
239 HB3 LEU 28 3HB LEU 28 -25.033 -0.779 2.290
240 HG LEU 28 HG LEU 28 -24.325 -2.409 0.266
241 HD11 LEU 28 1HD1 LEU 28 -23.566 -0.836 -1.307
242 HD12 LEU 28 2HD1 LEU 28 -22.669 0.090 -0.082
243 HD13 LEU 28 3HD1 LEU 28 -22.090 -1.517 -0.581
244 HD21 LEU 28 3HD2 LEU 28 -22.430 -2.986 1.527
245 HD22 LEU 28 1HD2 LEU 28 -22.219 -1.328 2.137
246 HD23 LEU 28 2HD2 LEU 28 -23.582 -2.319 2.708
247 H GLY 29 HN GLY 29 -25.666 -2.923 1.579
248 HA2 GLY 29 2HA GLY 29 -28.505 -3.626 1.967
249 HA3 GLY 29 1HA GLY 29 -27.176 -4.753 1.788
250 HA PRO 30 HA PRO 30 -27.815 -5.239 6.124
251 HB2 PRO 30 2HB PRO 30 -25.661 -6.928 6.613
252 HB3 PRO 30 3HB PRO 30 -27.130 -7.395 5.746
253 HG2 PRO 30 2HG PRO 30 -24.459 -6.509 4.521
254 HG3 PRO 30 3HG PRO 30 -25.421 -7.944 4.104
255 HD2 PRO 30 2HD PRO 30 -25.587 -5.610 2.612
256 HD3 PRO 30 3HD PRO 30 -27.038 -6.621 2.870
257 H ALA 31 HN ALA 31 -27.083 -2.545 6.187
258 HA ALA 31 HA ALA 31 -25.910 -2.077 8.484
259 HB1 ALA 31 1HB ALA 31 -23.416 -1.603 7.640
260 HB2 ALA 31 2HB ALA 31 -23.900 -3.192 8.281
261 HB3 ALA 31 3HB ALA 31 -23.807 -2.932 6.522
262 H TRP 32 HN TRP 32 -26.317 -1.329 5.102
263 HA TRP 32 HA TRP 32 -26.103 1.531 5.763
264 HB2 TRP 32 2HB TRP 32 -24.586 0.193 3.920
265 HB3 TRP 32 3HB TRP 32 -25.913 0.767 2.929
266 HD1 TRP 32 1HD TRP 32 -26.309 3.576 3.035
267 HE1 TRP 32 1HE TRP 32 -24.590 5.571 3.216
268 HE3 TRP 32 3HE TRP 32 -22.463 0.789 4.851
269 HZ2 TRP 32 2HZ TRP 32 -21.876 5.754 4.078
270 HZ3 TRP 32 3HZ TRP 32 -20.313 1.954 5.337
271 HH2 TRP 32 2HH TRP 32 -19.985 4.349 4.977
272 H GLY 33 HN GLY 33 -27.327 1.980 2.978
273 HA2 GLY 33 2HA GLY 33 -30.040 2.061 3.810
274 HA3 GLY 33 1HA GLY 33 -29.397 2.457 2.229
275 H GLY 34 HN GLY 34 -30.297 1.244 0.629
276 HA2 GLY 34 2HA GLY 34 -30.597 -1.647 1.107
277 HA3 GLY 34 1HA GLY 34 -31.964 -0.708 0.542
278 H ARG 35 HN ARG 35 -29.122 -2.429 -0.371
279 HA ARG 35 HA ARG 35 -28.179 -2.863 -2.265
280 HB2 ARG 35 2HB ARG 35 -30.688 -3.086 -2.947
281 HB3 ARG 35 3HB ARG 35 -30.497 -1.537 -3.743
282 HG2 ARG 35 2HG ARG 35 -29.754 -2.704 -5.548
283 HG3 ARG 35 3HG ARG 35 -28.268 -2.948 -4.654
284 HD2 ARG 35 2HD ARG 35 -29.050 -5.090 -3.780
285 HD3 ARG 35 3HD ARG 35 -30.669 -4.816 -4.393
286 HE ARG 35 HE ARG 35 -29.003 -4.642 -6.644
287 HH11 ARG 35 2HH2 ARG 35 -29.725 -7.073 -4.204
288 HH12 ARG 35 1HH2 ARG 35 -29.410 -8.409 -5.260
289 HH21 ARG 35 2HH1 ARG 35 -28.587 -6.406 -8.037
290 HH22 ARG 35 1HH1 ARG 35 -28.758 -8.028 -7.454
291 H CYS 36 HN CYS 36 -26.792 -1.907 -3.931
292 HA CYS 36 HA CYS 36 -26.786 1.022 -3.816
293 HB2 CYS 36 3HB CYS 36 -24.886 -0.173 -2.643
294 HB3 CYS 36 2HB CYS 36 -24.364 -0.737 -4.218
Start of MODEL 15
1 H1 TRP 1 HN TRP 1 24.777 -12.221 -5.424
2 HA TRP 1 HA TRP 1 24.257 -15.075 -5.850
3 HB2 TRP 1 2HB TRP 1 25.810 -13.635 -3.949
4 HB3 TRP 1 3HB TRP 1 24.475 -14.376 -3.090
5 HD1 TRP 1 1HD TRP 1 27.772 -15.285 -3.311
6 HE1 TRP 1 1HE TRP 1 28.338 -17.844 -3.616
7 HE3 TRP 1 3HE TRP 1 23.175 -16.639 -5.010
8 HZ2 TRP 1 2HZ TRP 1 26.834 -20.097 -4.514
9 HZ3 TRP 1 3HZ TRP 1 22.806 -19.038 -5.578
10 HH2 TRP 1 2HH TRP 1 24.545 -20.742 -5.354
11 H GLU 2 HN GLU 2 23.191 -12.348 -3.678
12 HA GLU 2 HA GLU 2 20.534 -12.553 -4.479
13 HB2 GLU 2 2HB GLU 2 19.521 -13.543 -2.456
14 HB3 GLU 2 3HB GLU 2 20.572 -14.696 -3.253
15 HG2 GLU 2 2HG GLU 2 22.106 -13.112 -1.338
16 HG3 GLU 2 3HG GLU 2 20.708 -13.813 -0.547
17 H TRP 3 HN TRP 3 22.161 -10.389 -4.348
18 HA TRP 3 HA TRP 3 22.213 -9.086 -1.855
19 HB2 TRP 3 2HB TRP 3 22.923 -8.515 -4.626
20 HB3 TRP 3 3HB TRP 3 22.277 -7.112 -3.799
21 HD1 TRP 3 1HD TRP 3 24.644 -5.866 -3.560
22 HE1 TRP 3 1HE TRP 3 26.835 -6.212 -2.129
23 HE3 TRP 3 3HE TRP 3 23.531 -10.587 -2.036
24 HZ2 TRP 3 2HZ TRP 3 27.833 -8.374 -0.555
25 HZ3 TRP 3 3HZ TRP 3 25.167 -11.746 -0.555
26 HH2 TRP 3 2HH TRP 3 27.257 -10.714 0.185
27 HA PRO 4 HA PRO 4 18.176 -7.752 -1.227
28 HB2 PRO 4 2HB PRO 4 18.490 -5.206 -0.154
29 HB3 PRO 4 3HB PRO 4 19.015 -6.702 0.632
30 HG2 PRO 4 2HG PRO 4 20.736 -4.778 -1.028
31 HG3 PRO 4 3HG PRO 4 21.095 -5.441 0.582
32 HD2 PRO 4 2HD PRO 4 22.153 -6.577 -1.719
33 HD3 PRO 4 3HD PRO 4 21.682 -7.609 -0.337
34 H TRP 5 HN TRP 5 18.939 -7.100 -4.280
35 HA TRP 5 HA TRP 5 16.830 -5.063 -4.500
36 HB2 TRP 5 2HB TRP 5 18.001 -4.415 -6.657
37 HB3 TRP 5 3HB TRP 5 18.718 -3.884 -5.148
38 HD1 TRP 5 1HD TRP 5 20.725 -5.932 -4.271
39 HE1 TRP 5 1HE TRP 5 22.744 -6.884 -5.679
40 HE3 TRP 5 3HE TRP 5 18.781 -4.773 -8.825
41 HZ2 TRP 5 2HZ TRP 5 23.289 -7.042 -8.475
42 HZ3 TRP 5 3HZ TRP 5 20.121 -5.361 -10.844
43 HH2 TRP 5 2HH TRP 5 22.302 -6.457 -10.721
44 H ASN 6 HN ASN 6 18.055 -6.184 -7.485
45 HA ASN 6 HA ASN 6 17.396 -7.622 -8.973
46 HB2 ASN 6 2HB ASN 6 17.556 -9.235 -6.804
47 HB3 ASN 6 3HB ASN 6 15.822 -9.328 -7.034
48 HD21 ASN 6 1HD2 ASN 6 15.274 -11.078 -8.067
49 HD22 ASN 6 2HD2 ASN 6 16.072 -11.794 -9.428
50 H ARG 7 HN ARG 7 15.106 -8.867 -9.708
51 HA ARG 7 HA ARG 7 13.190 -6.746 -9.560
52 HB2 ARG 7 2HB ARG 7 13.605 -9.197 -11.265
53 HB3 ARG 7 3HB ARG 7 11.969 -8.582 -11.145
54 HG2 ARG 7 2HG ARG 7 12.603 -6.424 -12.027
55 HG3 ARG 7 3HG ARG 7 14.311 -6.756 -11.820
56 HD2 ARG 7 2HD ARG 7 13.611 -6.989 -14.205
57 HD3 ARG 7 3HD ARG 7 14.240 -8.496 -13.569
58 HE ARG 7 HE ARG 7 12.099 -9.455 -13.743
59 HH11 ARG 7 2HH2 ARG 7 11.868 -5.964 -14.122
60 HH12 ARG 7 1HH2 ARG 7 10.210 -6.000 -14.623
61 HH21 ARG 7 2HH1 ARG 7 9.912 -9.504 -14.404
62 HH22 ARG 7 1HH1 ARG 7 9.090 -8.027 -14.784
63 H LYS 8 HN LYS 8 13.384 -7.805 -7.037
64 HA LYS 8 HA LYS 8 11.155 -9.700 -6.835
65 HB2 LYS 8 2HB LYS 8 13.731 -9.508 -5.527
66 HB3 LYS 8 3HB LYS 8 12.444 -9.453 -4.340
67 HG2 LYS 8 2HG LYS 8 12.446 -11.731 -4.531
68 HG3 LYS 8 3HG LYS 8 11.516 -11.455 -5.990
69 HD2 LYS 8 2HD LYS 8 13.510 -11.562 -7.384
70 HD3 LYS 8 3HD LYS 8 14.565 -11.534 -5.984
71 HE2 LYS 8 2HE LYS 8 12.753 -13.727 -5.602
72 HE3 LYS 8 3HE LYS 8 13.308 -13.821 -7.261
73 HZ1 LYS 8 3HZ LYS 8 15.331 -14.364 -6.587
74 HZ2 LYS 8 1HZ LYS 8 15.396 -13.216 -5.427
75 HZ3 LYS 8 2HZ LYS 8 14.684 -14.653 -5.115
76 HA HYP 9 HA HYP 9 8.334 -6.954 -5.188
77 HB2 HYP 9 3HB HYP 9 6.795 -8.152 -3.800
78 HB3 HYP 9 2HB HYP 9 8.056 -8.659 -2.670
79 HG HYP 9 2HG HYP 9 7.646 -10.624 -3.942
80 HD22 HYP 9 2HD HYP 9 10.117 -10.061 -3.820
81 HD23 HYP 9 3HD HYP 9 9.865 -10.450 -5.544
82 HD1 HYP 9 1HG HYP 9 7.498 -10.528 -6.254
83 H THR 10 HN THR 10 8.355 -4.966 -4.275
84 HA THR 10 HA THR 10 10.007 -4.564 -1.893
85 HB THR 10 HB THR 10 8.557 -2.416 -3.484
86 HG1 THR 10 1HG THR 10 11.095 -3.794 -4.016
87 HG21 THR 10 3HG2 THR 10 9.847 -1.208 -2.000
88 HG22 THR 10 1HG2 THR 10 10.855 -2.619 -1.597
89 HG23 THR 10 2HG2 THR 10 11.197 -1.670 -3.063
90 H LYS 11 HN LYS 11 8.969 -2.752 -0.380
91 HA LYS 11 HA LYS 11 6.547 -4.011 0.575
92 HB2 LYS 11 2HB LYS 11 8.762 -3.031 1.836
93 HB3 LYS 11 3HB LYS 11 7.661 -1.678 2.011
94 HG2 LYS 11 2HG LYS 11 5.922 -3.601 2.693
95 HG3 LYS 11 3HG LYS 11 7.382 -4.497 3.057
96 HD2 LYS 11 2HD LYS 11 8.014 -3.056 4.792
97 HD3 LYS 11 3HD LYS 11 7.195 -1.674 4.091
98 HE2 LYS 11 2HE LYS 11 4.973 -2.812 4.624
99 HE3 LYS 11 3HE LYS 11 5.870 -4.056 5.472
100 HZ1 LYS 11 3HZ LYS 11 5.677 -2.683 7.184
101 HZ2 LYS 11 1HZ LYS 11 6.873 -1.802 6.505
102 HZ3 LYS 11 2HZ LYS 11 5.313 -1.379 6.271
103 H PHE 12 HN PHE 12 5.797 -3.058 -1.775
104 HA PHE 12 HA PHE 12 5.175 -0.358 -1.938
105 HB2 PHE 12 2HB PHE 12 4.433 -2.987 -3.160
106 HB3 PHE 12 3HB PHE 12 3.156 -1.794 -3.291
107 HD1 PHE 12 1HD PHE 12 3.793 0.494 -4.304
108 HD2 PHE 12 2HD PHE 12 6.201 -2.980 -4.683
109 HE1 PHE 12 1HE PHE 12 4.943 1.508 -6.291
110 HE2 PHE 12 2HE PHE 12 7.351 -1.966 -6.670
111 HZ PHE 12 HZ PHE 12 6.708 0.266 -7.451
112 HA HYP 13 HA HYP 13 0.479 -2.218 -0.979
113 HB2 HYP 13 3HB HYP 13 0.283 -3.957 0.652
114 HB3 HYP 13 2HB HYP 13 1.609 -3.322 1.633
115 HG HYP 13 2HG HYP 13 2.595 -5.176 0.521
116 HD22 HYP 13 2HD HYP 13 3.993 -3.071 0.293
117 HD23 HYP 13 3HD HYP 13 3.976 -3.737 -1.362
118 HD1 HYP 13 1HG HYP 13 2.283 -5.497 -1.753
119 H ILE 14 HN ILE 14 -0.789 -0.606 -0.231
120 HA ILE 14 HA ILE 14 0.252 1.071 1.913
121 HB ILE 14 HB ILE 14 -2.312 1.501 0.412
122 HG12 ILE 14 2HG1 ILE 14 -0.490 3.077 -0.904
123 HG13 ILE 14 3HG1 ILE 14 0.433 1.608 -0.659
124 HG21 ILE 14 1HG2 ILE 14 -1.451 3.931 0.803
125 HG22 ILE 14 2HG2 ILE 14 -2.198 3.026 2.141
126 HG23 ILE 14 3HG2 ILE 14 -0.426 3.171 2.045
127 HD11 ILE 14 3HD1 ILE 14 -0.644 1.009 -2.614
128 HD12 ILE 14 1HD1 ILE 14 -1.892 0.477 -1.461
129 HD13 ILE 14 2HD1 ILE 14 -2.050 2.048 -2.281
130 HA HYP 15 HA HYP 15 -1.565 -1.076 5.157
131 HB2 HYP 15 3HB HYP 15 -1.515 0.395 7.044
132 HB3 HYP 15 2HB HYP 15 -2.441 1.651 6.215
133 HG HYP 15 2HG HYP 15 -0.217 2.485 6.151
134 HD22 HYP 15 2HD HYP 15 -1.319 2.526 3.866
135 HD23 HYP 15 3HD HYP 15 0.298 1.851 3.532
136 HD1 HYP 15 1HG HYP 15 1.546 1.110 5.535
137 H SER 16 HN SER 16 -3.586 -1.411 6.521
138 HA SER 16 HA SER 16 -5.729 -1.415 6.916
139 HB2 SER 16 2HB SER 16 -6.600 0.489 4.797
140 HB3 SER 16 3HB SER 16 -7.019 0.443 6.498
141 HG SER 16 HG SER 16 -5.048 1.457 7.033
142 HA HYP 17 HA HYP 17 -7.605 -4.210 4.216
143 HB2 HYP 17 3HB HYP 17 -9.957 -4.332 4.638
144 HB3 HYP 17 2HB HYP 17 -10.229 -2.652 4.161
145 HG HYP 17 2HG HYP 17 -10.327 -2.567 6.535
146 HD22 HYP 17 2HD HYP 17 -8.759 -0.816 5.578
147 HD23 HYP 17 3HD HYP 17 -7.826 -1.512 6.930
148 HD1 HYP 17 1HG HYP 17 -8.726 -3.636 7.824
149 H ASN 18 HN ASN 18 -9.340 -4.544 2.222
150 HA ASN 18 HA ASN 18 -9.850 -2.513 0.508
151 HB2 ASN 18 2HB ASN 18 -7.087 -3.056 0.398
152 HB3 ASN 18 3HB ASN 18 -7.721 -3.953 -0.968
153 HD21 ASN 18 1HD2 ASN 18 -8.474 -2.928 -2.734
154 HD22 ASN 18 2HD2 ASN 18 -8.439 -1.214 -2.984
155 HA HYP 19 HA HYP 19 -9.689 -6.923 -1.695
156 HB2 HYP 19 3HB HYP 19 -8.457 -8.835 -0.950
157 HB3 HYP 19 2HB HYP 19 -9.002 -8.658 0.721
158 HG HYP 19 2HG HYP 19 -6.773 -7.835 0.787
159 HD22 HYP 19 2HD HYP 19 -8.419 -6.226 1.855
160 HD23 HYP 19 3HD HYP 19 -7.408 -5.167 0.835
161 HD1 HYP 19 1HG HYP 19 -6.011 -6.353 -0.826
162 H ARG 20 HN ARG 20 -11.862 -6.998 -2.073
163 HA ARG 20 HA ARG 20 -14.015 -7.345 -1.607
164 HB2 ARG 20 2HB ARG 20 -14.427 -9.842 -1.476
165 HB3 ARG 20 3HB ARG 20 -13.261 -9.392 -2.705
166 HG2 ARG 20 2HG ARG 20 -11.403 -9.881 -1.043
167 HG3 ARG 20 3HG ARG 20 -12.615 -10.455 0.085
168 HD2 ARG 20 2HD ARG 20 -13.338 -11.932 -2.087
169 HD3 ARG 20 3HD ARG 20 -11.639 -11.719 -2.461
170 HE ARG 20 HE ARG 20 -11.165 -13.267 -0.790
171 HH11 ARG 20 2HH2 ARG 20 -14.209 -11.687 -0.000
172 HH12 ARG 20 1HH2 ARG 20 -14.474 -12.631 1.428
173 HH21 ARG 20 2HH1 ARG 20 -11.516 -14.512 1.094
174 HH22 ARG 20 1HH1 ARG 20 -12.933 -14.248 2.054
175 H ASP 21 HN ASP 21 -13.116 -6.124 0.706
176 HA ASP 21 HA ASP 21 -14.368 -7.769 2.760
177 HB2 ASP 21 2HB ASP 21 -12.166 -7.701 3.545
178 HB3 ASP 21 3HB ASP 21 -11.833 -6.154 2.793
179 H LYS 22 HN LYS 22 -16.206 -6.746 3.578
180 HA LYS 22 HA LYS 22 -17.686 -5.186 4.073
181 HB2 LYS 22 2HB LYS 22 -15.382 -4.257 5.140
182 HB3 LYS 22 3HB LYS 22 -15.752 -2.928 4.062
183 HG2 LYS 22 2HG LYS 22 -17.332 -2.178 5.500
184 HG3 LYS 22 3HG LYS 22 -18.216 -3.683 5.334
185 HD2 LYS 22 2HD LYS 22 -17.739 -4.070 7.522
186 HD3 LYS 22 3HD LYS 22 -16.096 -4.402 7.012
187 HE2 LYS 22 2HE LYS 22 -15.384 -2.139 7.466
188 HE3 LYS 22 3HE LYS 22 -17.034 -1.564 7.596
189 HZ1 LYS 22 3HZ LYS 22 -17.298 -2.904 9.562
190 HZ2 LYS 22 1HZ LYS 22 -15.776 -3.481 9.433
191 HZ3 LYS 22 2HZ LYS 22 -16.025 -1.897 9.743
192 H TRP 23 HN TRP 23 -16.409 -5.641 1.196
193 HA TRP 23 HA TRP 23 -16.936 -3.231 -0.185
194 HB2 TRP 23 2HB TRP 23 -15.939 -4.306 -1.831
195 HB3 TRP 23 3HB TRP 23 -15.741 -5.670 -0.748
196 HD1 TRP 23 1HD TRP 23 -17.870 -7.565 -0.890
197 HE1 TRP 23 1HE TRP 23 -19.256 -8.450 -2.955
198 HE3 TRP 23 3HE TRP 23 -16.793 -3.655 -3.959
199 HZ2 TRP 23 2HZ TRP 23 -19.734 -7.439 -5.580
200 HZ3 TRP 23 3HZ TRP 23 -17.759 -3.682 -6.256
201 HH2 TRP 23 2HH TRP 23 -19.185 -5.488 -7.081
202 H CYS 24 HN CYS 24 -18.685 -3.396 -2.102
203 HA CYS 24 HA CYS 24 -20.892 -4.833 -2.122
204 HB2 CYS 24 3HB CYS 24 -22.523 -3.441 -0.687
205 HB3 CYS 24 2HB CYS 24 -21.570 -4.705 0.065
206 H ARG 25 HN ARG 25 -19.920 -3.706 -4.163
207 HA ARG 25 HA ARG 25 -20.832 -0.990 -4.421
208 HB2 ARG 25 2HB ARG 25 -18.561 -2.116 -5.311
209 HB3 ARG 25 3HB ARG 25 -19.559 -2.543 -6.687
210 HG2 ARG 25 2HG ARG 25 -20.281 0.032 -6.561
211 HG3 ARG 25 3HG ARG 25 -18.764 0.201 -5.699
212 HD2 ARG 25 2HD ARG 25 -17.525 -0.790 -7.594
213 HD3 ARG 25 3HD ARG 25 -19.021 -1.124 -8.443
214 HE ARG 25 HE ARG 25 -19.171 1.141 -9.057
215 HH11 ARG 25 2HH2 ARG 25 -16.743 0.755 -6.539
216 HH12 ARG 25 1HH2 ARG 25 -16.148 2.376 -6.687
217 HH21 ARG 25 2HH1 ARG 25 -18.387 3.279 -9.253
218 HH22 ARG 25 1HH1 ARG 25 -17.089 3.820 -8.240
219 H LEU 26 HN LEU 26 -21.710 -4.286 -5.272
220 HA LEU 26 HA LEU 26 -24.027 -3.240 -6.703
221 HB2 LEU 26 2HB LEU 26 -22.069 -5.275 -7.746
222 HB3 LEU 26 3HB LEU 26 -23.728 -5.213 -8.306
223 HG LEU 26 HG LEU 26 -23.019 -2.613 -8.651
224 HD11 LEU 26 1HD1 LEU 26 -20.565 -3.877 -8.108
225 HD12 LEU 26 2HD1 LEU 26 -20.595 -3.592 -9.865
226 HD13 LEU 26 3HD1 LEU 26 -20.836 -2.235 -8.740
227 HD21 LEU 26 3HD2 LEU 26 -22.238 -4.433 -10.866
228 HD22 LEU 26 1HD2 LEU 26 -23.890 -4.600 -10.226
229 HD23 LEU 26 2HD2 LEU 26 -23.334 -3.031 -10.855
230 H ASN 27 HN ASN 27 -25.306 -5.625 -7.279
231 HA ASN 27 HA ASN 27 -26.592 -6.232 -5.053
232 HB2 ASN 27 2HB ASN 27 -27.174 -7.108 -7.324
233 HB3 ASN 27 3HB ASN 27 -25.814 -8.213 -7.260
234 HD21 ASN 27 1HD2 ASN 27 -25.970 -10.106 -6.225
235 HD22 ASN 27 2HD2 ASN 27 -27.373 -10.687 -5.393
236 H LEU 28 HN LEU 28 -25.876 -6.995 -3.059
237 HA LEU 28 HA LEU 28 -23.361 -8.398 -2.926
238 HB2 LEU 28 2HB LEU 28 -24.568 -6.563 -1.340
239 HB3 LEU 28 3HB LEU 28 -25.019 -8.036 -0.507
240 HG LEU 28 HG LEU 28 -22.628 -8.672 -0.353
241 HD11 LEU 28 1HD1 LEU 28 -21.348 -7.745 -1.965
242 HD12 LEU 28 2HD1 LEU 28 -22.314 -6.252 -2.035
243 HD13 LEU 28 3HD1 LEU 28 -21.116 -6.476 -0.738
244 HD21 LEU 28 3HD2 LEU 28 -23.709 -6.171 0.876
245 HD22 LEU 28 1HD2 LEU 28 -23.307 -7.736 1.621
246 HD23 LEU 28 2HD2 LEU 28 -22.008 -6.607 1.168
247 H GLY 29 HN GLY 29 -23.903 -10.082 -0.669
248 HA2 GLY 29 2HA GLY 29 -24.862 -12.388 -2.034
249 HA3 GLY 29 1HA GLY 29 -24.382 -12.264 -0.352
250 HA PRO 30 HA PRO 30 -28.984 -12.991 -0.998
251 HB2 PRO 30 2HB PRO 30 -29.209 -15.147 0.743
252 HB3 PRO 30 3HB PRO 30 -28.637 -15.257 -0.927
253 HG2 PRO 30 2HG PRO 30 -26.920 -15.084 1.611
254 HG3 PRO 30 3HG PRO 30 -26.768 -16.247 0.275
255 HD2 PRO 30 2HD PRO 30 -25.175 -13.978 0.403
256 HD3 PRO 30 3HD PRO 30 -25.744 -14.594 -1.176
257 H ALA 31 HN ALA 31 -28.053 -10.672 0.803
258 HA ALA 31 HA ALA 31 -30.405 -10.517 2.307
259 HB1 ALA 31 1HB ALA 31 -29.418 -12.153 3.790
260 HB2 ALA 31 2HB ALA 31 -27.883 -11.254 3.840
261 HB3 ALA 31 3HB ALA 31 -29.341 -10.566 4.593
262 H TRP 32 HN TRP 32 -28.851 -9.030 0.343
263 HA TRP 32 HA TRP 32 -28.516 -6.586 1.904
264 HB2 TRP 32 2HB TRP 32 -26.327 -8.045 0.983
265 HB3 TRP 32 3HB TRP 32 -26.536 -6.783 -0.214
266 HD1 TRP 32 1HD TRP 32 -26.667 -4.150 0.953
267 HE1 TRP 32 1HE TRP 32 -25.239 -3.084 2.901
268 HE3 TRP 32 3HE TRP 32 -25.162 -8.565 2.977
269 HZ2 TRP 32 2HZ TRP 32 -23.676 -4.182 5.020
270 HZ3 TRP 32 3HZ TRP 32 -23.686 -8.480 4.984
271 HH2 TRP 32 2HH TRP 32 -22.944 -6.386 6.004
272 H GLY 33 HN GLY 33 -27.547 -5.205 -0.568
273 HA2 GLY 33 2HA GLY 33 -28.416 -5.031 -2.843
274 HA3 GLY 33 1HA GLY 33 -30.001 -5.422 -2.208
275 H GLY 34 HN GLY 34 -28.434 -2.913 -3.479
276 HA2 GLY 34 2HA GLY 34 -29.057 -0.718 -3.499
277 HA3 GLY 34 1HA GLY 34 -30.039 -0.965 -2.069
278 H ARG 35 HN ARG 35 -29.295 -0.202 -0.122
279 HA ARG 35 HA ARG 35 -27.017 1.330 -0.058
280 HB2 ARG 35 2HB ARG 35 -29.056 0.369 1.865
281 HB3 ARG 35 3HB ARG 35 -27.497 0.636 2.620
282 HG2 ARG 35 2HG ARG 35 -27.811 2.877 0.945
283 HG3 ARG 35 3HG ARG 35 -29.426 2.602 1.570
284 HD2 ARG 35 2HD ARG 35 -28.825 3.114 3.748
285 HD3 ARG 35 3HD ARG 35 -27.232 2.402 3.594
286 HE ARG 35 HE ARG 35 -27.963 5.177 3.024
287 HH11 ARG 35 2HH2 ARG 35 -25.634 2.626 2.355
288 HH12 ARG 35 1HH2 ARG 35 -24.369 3.721 1.912
289 HH21 ARG 35 2HH1 ARG 35 -26.294 6.624 2.439
290 HH22 ARG 35 1HH1 ARG 35 -24.746 6.011 1.960
291 H CYS 36 HN CYS 36 -25.105 0.224 -0.685
292 HA CYS 36 HA CYS 36 -23.407 -1.171 -0.576
293 HB2 CYS 36 3HB CYS 36 -22.665 -0.071 1.309
294 HB3 CYS 36 2HB CYS 36 -24.004 -0.614 2.301
Start of MODEL 16
1 H1 TRP 1 HN TRP 1 17.131 -18.769 7.799
2 HA TRP 1 HA TRP 1 19.208 -18.553 8.614
3 HB2 TRP 1 2HB TRP 1 19.762 -17.672 5.815
4 HB3 TRP 1 3HB TRP 1 20.924 -17.264 7.063
5 HD1 TRP 1 1HD TRP 1 22.245 -19.370 8.229
6 HE1 TRP 1 1HE TRP 1 22.745 -21.854 7.494
7 HE3 TRP 1 3HE TRP 1 18.717 -19.553 4.572
8 HZ2 TRP 1 2HZ TRP 1 21.635 -23.578 5.509
9 HZ3 TRP 1 3HZ TRP 1 18.490 -21.674 3.282
10 HH2 TRP 1 2HH TRP 1 19.879 -23.643 3.701
11 H GLU 2 HN GLU 2 17.355 -17.045 9.653
12 HA GLU 2 HA GLU 2 18.634 -14.752 10.451
13 HB2 GLU 2 2HB GLU 2 17.233 -12.978 9.418
14 HB3 GLU 2 3HB GLU 2 18.180 -13.838 8.221
15 HG2 GLU 2 2HG GLU 2 16.270 -15.123 7.481
16 HG3 GLU 2 3HG GLU 2 15.316 -14.645 8.872
17 H TRP 3 HN TRP 3 16.949 -13.230 11.689
18 HA TRP 3 HA TRP 3 15.755 -14.630 13.646
19 HB2 TRP 3 2HB TRP 3 14.958 -11.967 12.470
20 HB3 TRP 3 3HB TRP 3 14.274 -12.609 13.949
21 HD1 TRP 3 1HD TRP 3 16.804 -10.229 13.062
22 HE1 TRP 3 1HE TRP 3 18.716 -9.890 14.849
23 HE3 TRP 3 3HE TRP 3 15.851 -14.493 15.662
24 HZ2 TRP 3 2HZ TRP 3 19.595 -11.410 17.100
25 HZ3 TRP 3 3HZ TRP 3 17.282 -14.992 17.641
26 HH2 TRP 3 2HH TRP 3 19.100 -13.531 18.370
27 HA PRO 4 HA PRO 4 12.954 -16.819 10.885
28 HB2 PRO 4 2HB PRO 4 12.306 -18.838 12.684
29 HB3 PRO 4 3HB PRO 4 13.843 -18.717 11.818
30 HG2 PRO 4 2HG PRO 4 13.253 -17.784 14.682
31 HG3 PRO 4 3HG PRO 4 14.609 -18.789 14.128
32 HD2 PRO 4 2HD PRO 4 14.897 -16.055 14.501
33 HD3 PRO 4 3HD PRO 4 15.760 -16.879 13.171
34 H TRP 5 HN TRP 5 11.170 -15.047 10.650
35 HA TRP 5 HA TRP 5 8.953 -15.746 12.439
36 HB2 TRP 5 2HB TRP 5 9.820 -12.956 11.664
37 HB3 TRP 5 3HB TRP 5 8.287 -13.347 12.419
38 HD1 TRP 5 1HD TRP 5 12.087 -13.592 13.261
39 HE1 TRP 5 1HE TRP 5 12.473 -13.432 15.867
40 HE3 TRP 5 3HE TRP 5 7.160 -13.536 14.518
41 HZ2 TRP 5 2HZ TRP 5 10.714 -13.302 18.110
42 HZ3 TRP 5 3HZ TRP 5 6.580 -13.391 16.938
43 HH2 TRP 5 2HH TRP 5 8.264 -13.275 18.706
44 H ASN 6 HN ASN 6 8.335 -13.108 10.355
45 HA ASN 6 HA ASN 6 8.077 -14.381 7.919
46 HB2 ASN 6 2HB ASN 6 5.529 -14.562 7.866
47 HB3 ASN 6 3HB ASN 6 6.312 -15.761 8.876
48 HD21 ASN 6 1HD2 ASN 6 3.610 -14.736 8.989
49 HD22 ASN 6 2HD2 ASN 6 3.362 -14.061 10.565
50 H ARG 7 HN ARG 7 9.095 -12.025 8.101
51 HA ARG 7 HA ARG 7 7.061 -10.239 7.202
52 HB2 ARG 7 2HB ARG 7 8.317 -9.986 9.885
53 HB3 ARG 7 3HB ARG 7 8.437 -8.524 8.926
54 HG2 ARG 7 2HG ARG 7 5.868 -8.946 8.430
55 HG3 ARG 7 3HG ARG 7 5.940 -9.978 9.845
56 HD2 ARG 7 2HD ARG 7 6.638 -8.141 11.269
57 HD3 ARG 7 3HD ARG 7 6.960 -7.103 9.895
58 HE ARG 7 HE ARG 7 4.695 -6.547 9.839
59 HH11 ARG 7 2HH2 ARG 7 5.062 -9.601 11.548
60 HH12 ARG 7 1HH2 ARG 7 3.390 -9.703 11.988
61 HH21 ARG 7 2HH1 ARG 7 2.488 -6.680 10.419
62 HH22 ARG 7 1HH1 ARG 7 1.916 -8.030 11.342
63 H LYS 8 HN LYS 8 8.122 -10.059 5.197
64 HA LYS 8 HA LYS 8 10.727 -8.741 5.310
65 HB2 LYS 8 2HB LYS 8 10.463 -11.435 4.659
66 HB3 LYS 8 3HB LYS 8 10.528 -10.643 3.098
67 HG2 LYS 8 2HG LYS 8 12.506 -9.299 4.556
68 HG3 LYS 8 3HG LYS 8 12.648 -10.946 5.136
69 HD2 LYS 8 2HD LYS 8 12.546 -11.601 2.578
70 HD3 LYS 8 3HD LYS 8 12.946 -9.917 2.297
71 HE2 LYS 8 2HE LYS 8 14.970 -10.160 3.759
72 HE3 LYS 8 3HE LYS 8 14.574 -11.847 4.021
73 HZ1 LYS 8 3HZ LYS 8 14.971 -12.331 1.803
74 HZ2 LYS 8 1HZ LYS 8 14.913 -10.772 1.321
75 HZ3 LYS 8 2HZ LYS 8 16.186 -11.310 2.191
76 HA HYP 9 HA HYP 9 7.319 -6.724 2.902
77 HB2 HYP 9 3HB HYP 9 6.881 -4.652 4.017
78 HB3 HYP 9 2HB HYP 9 8.599 -4.277 4.203
79 HG HYP 9 2HG HYP 9 7.960 -4.994 6.378
80 HD22 HYP 9 2HD HYP 9 10.040 -6.189 5.548
81 HD23 HYP 9 3HD HYP 9 9.049 -7.507 6.229
82 HD1 HYP 9 1HG HYP 9 6.690 -6.912 6.666
83 H THR 10 HN THR 10 7.364 -5.913 0.846
84 HA THR 10 HA THR 10 9.870 -4.611 -0.002
85 HB THR 10 HB THR 10 9.787 -6.421 -1.453
86 HG1 THR 10 1HG THR 10 9.254 -5.137 -3.174
87 HG21 THR 10 3HG2 THR 10 7.850 -7.572 -0.424
88 HG22 THR 10 1HG2 THR 10 6.741 -6.368 -1.123
89 HG23 THR 10 2HG2 THR 10 7.621 -7.492 -2.188
90 H LYS 11 HN LYS 11 9.399 -3.105 -2.002
91 HA LYS 11 HA LYS 11 7.778 -1.040 -0.976
92 HB2 LYS 11 2HB LYS 11 8.307 -0.008 -3.261
93 HB3 LYS 11 3HB LYS 11 9.648 -0.346 -2.187
94 HG2 LYS 11 2HG LYS 11 10.514 -1.972 -3.559
95 HG3 LYS 11 3HG LYS 11 8.937 -2.629 -3.948
96 HD2 LYS 11 2HD LYS 11 8.558 -0.565 -5.430
97 HD3 LYS 11 3HD LYS 11 10.241 -0.155 -5.169
98 HE2 LYS 11 2HE LYS 11 9.718 -2.975 -6.035
99 HE3 LYS 11 3HE LYS 11 9.367 -1.740 -7.228
100 HZ1 LYS 11 3HZ LYS 11 11.818 -2.725 -6.594
101 HZ2 LYS 11 1HZ LYS 11 11.512 -1.423 -7.531
102 HZ3 LYS 11 2HZ LYS 11 11.819 -1.229 -5.939
103 H PHE 12 HN PHE 12 5.611 -0.853 -1.043
104 HA PHE 12 HA PHE 12 4.032 -0.927 -3.194
105 HB2 PHE 12 2HB PHE 12 4.938 -3.619 -2.378
106 HB3 PHE 12 3HB PHE 12 3.193 -3.512 -2.265
107 HD1 PHE 12 2HD PHE 12 2.711 -1.618 -4.568
108 HD2 PHE 12 1HD PHE 12 5.179 -5.052 -4.223
109 HE1 PHE 12 2HE PHE 12 2.527 -1.998 -7.042
110 HE2 PHE 12 1HE PHE 12 4.997 -5.433 -6.698
111 HZ PHE 12 HZ PHE 12 3.673 -3.901 -8.077
112 HA HYP 13 HA HYP 13 1.255 -3.026 0.555
113 HB2 HYP 13 3HB HYP 13 2.215 -3.162 2.743
114 HB3 HYP 13 2HB HYP 13 3.105 -1.647 2.554
115 HG HYP 13 2HG HYP 13 4.785 -3.303 2.271
116 HD22 HYP 13 2HD HYP 13 4.807 -1.591 0.400
117 HD23 HYP 13 3HD HYP 13 4.948 -3.147 -0.462
118 HD1 HYP 13 1HG HYP 13 4.421 -5.139 0.904
119 H ILE 14 HN ILE 14 -0.572 -1.850 0.698
120 HA ILE 14 HA ILE 14 -0.264 0.979 1.433
121 HB ILE 14 HB ILE 14 -2.290 -0.382 -0.337
122 HG12 ILE 14 2HG1 ILE 14 -0.334 0.189 -1.554
123 HG13 ILE 14 3HG1 ILE 14 -1.539 1.402 -1.936
124 HG21 ILE 14 1HG2 ILE 14 -3.318 1.225 1.343
125 HG22 ILE 14 2HG2 ILE 14 -2.404 2.513 0.520
126 HG23 ILE 14 3HG2 ILE 14 -3.615 1.568 -0.379
127 HD11 ILE 14 3HD1 ILE 14 0.929 1.661 -0.210
128 HD12 ILE 14 1HD1 ILE 14 0.352 2.726 -1.514
129 HD13 ILE 14 2HD1 ILE 14 -0.456 2.744 0.072
130 HA HYP 15 HA HYP 15 -1.760 0.124 5.366
131 HB2 HYP 15 3HB HYP 15 -2.348 2.234 6.329
132 HB3 HYP 15 2HB HYP 15 -3.488 2.618 5.035
133 HG HYP 15 2HG HYP 15 -1.599 3.963 4.511
134 HD22 HYP 15 2HD HYP 15 -2.394 2.609 2.516
135 HD23 HYP 15 3HD HYP 15 -0.624 2.386 2.490
136 HD1 HYP 15 1HG HYP 15 0.539 3.069 4.562
137 H SER 16 HN SER 16 -3.349 -1.001 6.439
138 HA SER 16 HA SER 16 -5.244 -1.978 6.849
139 HB2 SER 16 2HB SER 16 -7.156 -0.623 7.024
140 HB3 SER 16 3HB SER 16 -5.856 0.552 7.034
141 HG SER 16 HG SER 16 -6.210 0.797 4.681
142 HA HYP 17 HA HYP 17 -6.776 -4.393 3.623
143 HB2 HYP 17 3HB HYP 17 -8.832 -5.427 4.281
144 HB3 HYP 17 2HB HYP 17 -9.674 -3.882 4.435
145 HG HYP 17 2HG HYP 17 -9.239 -4.491 6.691
146 HD22 HYP 17 2HD HYP 17 -8.500 -2.117 6.183
147 HD23 HYP 17 3HD HYP 17 -7.121 -2.796 7.089
148 HD1 HYP 17 1HG HYP 17 -7.146 -5.256 7.328
149 H ASN 18 HN ASN 18 -9.059 -4.657 2.040
150 HA ASN 18 HA ASN 18 -10.293 -2.426 1.175
151 HB2 ASN 18 2HB ASN 18 -7.595 -2.292 0.329
152 HB3 ASN 18 3HB ASN 18 -8.448 -2.860 -1.093
153 HD21 ASN 18 1HD2 ASN 18 -7.243 -0.450 -1.137
154 HD22 ASN 18 2HD2 ASN 18 -8.395 0.843 -1.158
155 HA HYP 19 HA HYP 19 -9.998 -5.919 -2.297
156 HB2 HYP 19 3HB HYP 19 -8.322 -7.621 -2.455
157 HB3 HYP 19 2HB HYP 19 -8.435 -8.030 -0.741
158 HG HYP 19 2HG HYP 19 -6.430 -6.760 -0.864
159 HD22 HYP 19 2HD HYP 19 -7.980 -5.924 0.963
160 HD23 HYP 19 3HD HYP 19 -7.453 -4.426 0.149
161 HD1 HYP 19 1HG HYP 19 -6.363 -4.766 -2.043
162 H ARG 20 HN ARG 20 -12.152 -6.395 -2.241
163 HA ARG 20 HA ARG 20 -14.023 -7.333 -1.438
164 HB2 ARG 20 2HB ARG 20 -14.013 -9.774 -2.116
165 HB3 ARG 20 3HB ARG 20 -13.323 -8.712 -3.327
166 HG2 ARG 20 2HG ARG 20 -11.222 -9.519 -1.496
167 HG3 ARG 20 3HG ARG 20 -12.079 -10.950 -2.030
168 HD2 ARG 20 2HD ARG 20 -10.317 -10.562 -3.640
169 HD3 ARG 20 3HD ARG 20 -11.819 -10.126 -4.431
170 HE ARG 20 HE ARG 20 -10.468 -7.895 -3.057
171 HH11 ARG 20 2HH2 ARG 20 -10.879 -9.653 -6.078
172 HH12 ARG 20 1HH2 ARG 20 -10.323 -8.341 -7.064
173 HH21 ARG 20 2HH1 ARG 20 -9.734 -6.166 -4.358
174 HH22 ARG 20 1HH1 ARG 20 -9.668 -6.345 -6.079
175 H ASP 21 HN ASP 21 -12.808 -6.683 0.913
176 HA ASP 21 HA ASP 21 -12.338 -9.045 2.448
177 HB2 ASP 21 2HB ASP 21 -12.703 -6.251 3.578
178 HB3 ASP 21 3HB ASP 21 -11.719 -7.555 4.214
179 H LYS 22 HN LYS 22 -14.382 -10.154 2.570
180 HA LYS 22 HA LYS 22 -16.469 -10.569 3.173
181 HB2 LYS 22 2HB LYS 22 -15.525 -8.733 5.361
182 HB3 LYS 22 3HB LYS 22 -17.173 -9.325 5.367
183 HG2 LYS 22 2HG LYS 22 -16.225 -11.090 6.504
184 HG3 LYS 22 3HG LYS 22 -15.913 -11.677 4.883
185 HD2 LYS 22 2HD LYS 22 -13.848 -9.805 5.953
186 HD3 LYS 22 3HD LYS 22 -13.972 -11.330 6.809
187 HE2 LYS 22 2HE LYS 22 -14.081 -12.129 4.132
188 HE3 LYS 22 3HE LYS 22 -12.961 -10.782 4.080
189 HZ1 LYS 22 3HZ LYS 22 -11.750 -11.847 5.899
190 HZ2 LYS 22 1HZ LYS 22 -12.754 -13.133 5.829
191 HZ3 LYS 22 2HZ LYS 22 -11.793 -12.777 4.558
192 H TRP 23 HN TRP 23 -15.806 -8.225 1.290
193 HA TRP 23 HA TRP 23 -17.610 -6.163 1.647
194 HB2 TRP 23 2HB TRP 23 -16.669 -5.467 -0.220
195 HB3 TRP 23 3HB TRP 23 -15.766 -6.968 -0.278
196 HD1 TRP 23 1HD TRP 23 -17.420 -9.079 -1.556
197 HE1 TRP 23 1HE TRP 23 -18.701 -8.954 -3.859
198 HE3 TRP 23 3HE TRP 23 -17.664 -4.004 -1.743
199 HZ2 TRP 23 2HZ TRP 23 -19.651 -6.796 -5.465
200 HZ3 TRP 23 3HZ TRP 23 -18.786 -2.967 -3.715
201 HH2 TRP 23 2HH TRP 23 -19.759 -4.277 -5.534
202 H CYS 24 HN CYS 24 -19.368 -6.092 -0.518
203 HA CYS 24 HA CYS 24 -21.486 -6.594 -0.897
204 HB2 CYS 24 3HB CYS 24 -21.898 -8.877 -1.756
205 HB3 CYS 24 2HB CYS 24 -20.511 -8.080 -2.471
206 H ARG 25 HN ARG 25 -22.314 -6.044 1.233
207 HA ARG 25 HA ARG 25 -22.282 -7.948 3.290
208 HB2 ARG 25 2HB ARG 25 -22.687 -5.261 3.213
209 HB3 ARG 25 3HB ARG 25 -24.363 -5.768 3.251
210 HG2 ARG 25 2HG ARG 25 -23.835 -5.573 5.543
211 HG3 ARG 25 3HG ARG 25 -23.659 -7.292 5.257
212 HD2 ARG 25 2HD ARG 25 -21.150 -6.807 4.794
213 HD3 ARG 25 3HD ARG 25 -21.440 -5.210 5.455
214 HE ARG 25 HE ARG 25 -22.403 -7.374 7.185
215 HH11 ARG 25 2HH2 ARG 25 -19.639 -5.368 6.334
216 HH12 ARG 25 1HH2 ARG 25 -18.847 -5.589 7.859
217 HH21 ARG 25 2HH1 ARG 25 -21.359 -7.665 9.197
218 HH22 ARG 25 1HH1 ARG 25 -19.832 -6.904 9.498
219 H LEU 26 HN LEU 26 -24.265 -7.423 0.469
220 HA LEU 26 HA LEU 26 -26.193 -9.375 1.511
221 HB2 LEU 26 2HB LEU 26 -27.753 -8.070 -0.183
222 HB3 LEU 26 3HB LEU 26 -27.615 -7.642 1.510
223 HG LEU 26 HG LEU 26 -25.670 -6.278 -0.238
224 HD11 LEU 26 1HD1 LEU 26 -28.611 -5.603 -0.514
225 HD12 LEU 26 2HD1 LEU 26 -27.238 -4.746 -1.256
226 HD13 LEU 26 3HD1 LEU 26 -27.621 -6.412 -1.753
227 HD21 LEU 26 3HD2 LEU 26 -25.610 -5.059 1.614
228 HD22 LEU 26 1HD2 LEU 26 -27.228 -4.443 1.203
229 HD23 LEU 26 2HD2 LEU 26 -27.059 -5.865 2.260
230 H ASN 27 HN ASN 27 -27.597 -9.922 -0.797
231 HA ASN 27 HA ASN 27 -25.954 -11.674 -2.062
232 HB2 ASN 27 2HB ASN 27 -28.669 -10.887 -2.221
233 HB3 ASN 27 3HB ASN 27 -28.067 -10.638 -3.848
234 HD21 ASN 27 1HD2 ASN 27 -27.669 -12.314 -5.147
235 HD22 ASN 27 2HD2 ASN 27 -27.849 -13.985 -4.728
236 H LEU 28 HN LEU 28 -25.087 -11.652 -4.334
237 HA LEU 28 HA LEU 28 -24.608 -8.925 -5.314
238 HB2 LEU 28 2HB LEU 28 -22.690 -10.232 -4.100
239 HB3 LEU 28 3HB LEU 28 -22.576 -11.104 -5.616
240 HG LEU 28 HG LEU 28 -22.604 -8.443 -6.420
241 HD11 LEU 28 1HD1 LEU 28 -22.068 -8.300 -3.724
242 HD12 LEU 28 2HD1 LEU 28 -20.443 -8.311 -4.448
243 HD13 LEU 28 3HD1 LEU 28 -21.629 -7.081 -4.944
244 HD21 LEU 28 3HD2 LEU 28 -21.145 -10.599 -6.969
245 HD22 LEU 28 1HD2 LEU 28 -20.607 -8.954 -7.384
246 HD23 LEU 28 2HD2 LEU 28 -19.973 -9.755 -5.928
247 H GLY 29 HN GLY 29 -23.201 -9.779 -7.672
248 HA2 GLY 29 2HA GLY 29 -25.379 -10.271 -9.385
249 HA3 GLY 29 1HA GLY 29 -23.677 -10.307 -9.805
250 HA PRO 30 HA PRO 30 -25.798 -14.476 -10.158
251 HB2 PRO 30 2HB PRO 30 -24.874 -15.078 -12.710
252 HB3 PRO 30 3HB PRO 30 -26.262 -14.040 -12.361
253 HG2 PRO 30 2HG PRO 30 -23.388 -13.148 -12.963
254 HG3 PRO 30 3HG PRO 30 -24.887 -12.550 -13.707
255 HD2 PRO 30 2HD PRO 30 -23.670 -11.191 -11.615
256 HD3 PRO 30 3HD PRO 30 -25.453 -11.240 -11.744
257 H ALA 31 HN ALA 31 -23.243 -14.248 -8.464
258 HA ALA 31 HA ALA 31 -22.504 -16.941 -8.705
259 HB1 ALA 31 1HB ALA 31 -20.014 -15.533 -9.237
260 HB2 ALA 31 2HB ALA 31 -20.732 -16.921 -10.090
261 HB3 ALA 31 3HB ALA 31 -21.186 -15.262 -10.549
262 H TRP 32 HN TRP 32 -23.483 -14.997 -6.755
263 HA TRP 32 HA TRP 32 -21.357 -15.352 -4.796
264 HB2 TRP 32 2HB TRP 32 -21.757 -12.883 -6.000
265 HB3 TRP 32 3HB TRP 32 -22.665 -12.763 -4.505
266 HD1 TRP 32 1HD TRP 32 -21.082 -13.517 -2.198
267 HE1 TRP 32 1HE TRP 32 -18.593 -12.891 -1.587
268 HE3 TRP 32 3HE TRP 32 -19.659 -12.353 -6.938
269 HZ2 TRP 32 2HZ TRP 32 -16.357 -11.998 -3.121
270 HZ3 TRP 32 3HZ TRP 32 -17.306 -11.612 -7.295
271 HH2 TRP 32 2HH TRP 32 -15.678 -11.426 -5.481
272 H GLY 33 HN GLY 33 -22.958 -13.702 -2.864
273 HA2 GLY 33 2HA GLY 33 -25.056 -13.736 -1.837
274 HA3 GLY 33 1HA GLY 33 -25.502 -15.158 -2.758
275 H GLY 34 HN GLY 34 -25.025 -14.255 0.310
276 HA2 GLY 34 2HA GLY 34 -24.889 -15.627 2.141
277 HA3 GLY 34 1HA GLY 34 -24.265 -16.929 1.147
278 H ARG 35 HN ARG 35 -22.236 -17.510 1.770
279 HA ARG 35 HA ARG 35 -20.644 -16.072 3.399
280 HB2 ARG 35 2HB ARG 35 -19.942 -18.139 1.266
281 HB3 ARG 35 3HB ARG 35 -18.737 -17.516 2.377
282 HG2 ARG 35 2HG ARG 35 -21.021 -18.233 3.959
283 HG3 ARG 35 3HG ARG 35 -20.750 -19.556 2.841
284 HD2 ARG 35 2HD ARG 35 -18.253 -19.442 3.536
285 HD3 ARG 35 3HD ARG 35 -18.763 -18.383 4.835
286 HE ARG 35 HE ARG 35 -20.336 -20.843 4.711
287 HH11 ARG 35 2HH2 ARG 35 -17.365 -19.404 5.927
288 HH12 ARG 35 1HH2 ARG 35 -17.185 -20.550 7.213
289 HH21 ARG 35 2HH1 ARG 35 -20.101 -22.354 6.409
290 HH22 ARG 35 1HH1 ARG 35 -18.752 -22.239 7.490
291 H CYS 36 HN CYS 36 -20.405 -13.849 2.827
292 HA CYS 36 HA CYS 36 -19.198 -13.319 0.229
293 HB2 CYS 36 3HB CYS 36 -21.044 -11.901 1.961
294 HB3 CYS 36 2HB CYS 36 -19.673 -10.892 1.544
Start of MODEL 17
1 H1 TRP 1 HN TRP 1 25.234 11.685 4.920
2 HA TRP 1 HA TRP 1 25.641 9.020 3.776
3 HB2 TRP 1 2HB TRP 1 24.426 9.653 6.347
4 HB3 TRP 1 3HB TRP 1 23.322 8.800 5.288
5 HD1 TRP 1 1HD TRP 1 25.519 7.875 7.911
6 HE1 TRP 1 1HE TRP 1 26.585 5.468 7.736
7 HE3 TRP 1 3HE TRP 1 24.544 7.231 2.962
8 HZ2 TRP 1 2HZ TRP 1 26.895 3.606 5.595
9 HZ3 TRP 1 3HZ TRP 1 25.261 5.089 1.907
10 HH2 TRP 1 2HH TRP 1 26.398 3.312 3.140
11 H GLU 2 HN GLU 2 25.309 11.327 2.265
12 HA GLU 2 HA GLU 2 23.983 12.441 0.922
13 HB2 GLU 2 2HB GLU 2 22.732 11.064 -0.619
14 HB3 GLU 2 3HB GLU 2 24.131 10.141 -0.111
15 HG2 GLU 2 2HG GLU 2 22.810 8.813 1.435
16 HG3 GLU 2 3HG GLU 2 21.426 9.874 1.268
17 H TRP 3 HN TRP 3 21.207 12.098 0.167
18 HA TRP 3 HA TRP 3 19.974 13.644 2.111
19 HB2 TRP 3 2HB TRP 3 19.275 12.385 -0.416
20 HB3 TRP 3 3HB TRP 3 17.931 12.380 0.707
21 HD1 TRP 3 1HD TRP 3 16.532 14.323 -0.481
22 HE1 TRP 3 1HE TRP 3 16.795 16.925 -0.835
23 HE3 TRP 3 3HE TRP 3 21.403 14.557 0.958
24 HZ2 TRP 3 2HZ TRP 3 18.962 18.748 -0.481
25 HZ3 TRP 3 3HZ TRP 3 22.519 16.786 0.924
26 HH2 TRP 3 2HH TRP 3 21.379 18.836 0.236
27 HA PRO 4 HA PRO 4 19.070 10.862 5.285
28 HB2 PRO 4 2HB PRO 4 16.869 12.089 6.459
29 HB3 PRO 4 3HB PRO 4 18.507 12.757 6.447
30 HG2 PRO 4 2HG PRO 4 16.210 13.447 4.531
31 HG3 PRO 4 3HG PRO 4 17.249 14.576 5.430
32 HD2 PRO 4 2HD PRO 4 17.765 13.936 2.780
33 HD3 PRO 4 3HD PRO 4 19.113 14.213 3.919
34 H TRP 5 HN TRP 5 17.502 9.960 2.536
35 HA TRP 5 HA TRP 5 15.836 8.547 2.051
36 HB2 TRP 5 2HB TRP 5 16.075 6.763 4.267
37 HB3 TRP 5 3HB TRP 5 16.619 6.566 2.614
38 HD1 TRP 5 1HD TRP 5 19.189 7.859 2.163
39 HE1 TRP 5 1HE TRP 5 21.369 7.803 3.650
40 HE3 TRP 5 3HE TRP 5 16.844 6.553 6.481
41 HZ2 TRP 5 2HZ TRP 5 21.857 7.232 6.403
42 HZ3 TRP 5 3HZ TRP 5 18.245 6.267 8.523
43 HH2 TRP 5 2HH TRP 5 20.668 6.584 8.531
44 H ASN 6 HN ASN 6 15.086 10.910 3.688
45 HA ASN 6 HA ASN 6 13.603 10.524 5.837
46 HB2 ASN 6 2HB ASN 6 13.620 12.409 3.619
47 HB3 ASN 6 3HB ASN 6 11.957 12.116 4.087
48 HD21 ASN 6 1HD2 ASN 6 13.254 14.558 4.389
49 HD22 ASN 6 2HD2 ASN 6 13.408 14.942 6.071
50 H ARG 7 HN ARG 7 12.000 9.019 6.325
51 HA ARG 7 HA ARG 7 10.590 7.375 5.957
52 HB2 ARG 7 2HB ARG 7 9.366 9.857 5.760
53 HB3 ARG 7 3HB ARG 7 8.787 9.081 4.298
54 HG2 ARG 7 2HG ARG 7 8.065 7.093 5.698
55 HG3 ARG 7 3HG ARG 7 8.543 7.974 7.135
56 HD2 ARG 7 2HD ARG 7 6.958 9.877 6.194
57 HD3 ARG 7 3HD ARG 7 6.278 8.595 5.212
58 HE ARG 7 HE ARG 7 5.372 7.587 7.149
59 HH11 ARG 7 2HH2 ARG 7 7.552 10.203 8.034
60 HH12 ARG 7 1HH2 ARG 7 7.059 10.222 9.695
61 HH21 ARG 7 2HH1 ARG 7 4.722 7.612 9.340
62 HH22 ARG 7 1HH1 ARG 7 5.439 8.739 10.443
63 H LYS 8 HN LYS 8 11.856 6.017 4.493
64 HA LYS 8 HA LYS 8 10.731 6.000 1.795
65 HB2 LYS 8 2HB LYS 8 13.305 6.924 2.341
66 HB3 LYS 8 3HB LYS 8 13.558 5.266 1.836
67 HG2 LYS 8 2HG LYS 8 11.629 6.202 0.021
68 HG3 LYS 8 3HG LYS 8 12.674 7.590 0.248
69 HD2 LYS 8 2HD LYS 8 14.179 5.059 -0.055
70 HD3 LYS 8 3HD LYS 8 13.181 5.425 -1.447
71 HE2 LYS 8 2HE LYS 8 14.225 7.620 -1.714
72 HE3 LYS 8 3HE LYS 8 15.072 7.465 -0.187
73 HZ1 LYS 8 3HZ LYS 8 16.679 6.719 -1.521
74 HZ2 LYS 8 1HZ LYS 8 15.893 5.289 -1.434
75 HZ3 LYS 8 2HZ LYS 8 15.673 6.265 -2.725
76 HA HYP 9 HA HYP 9 10.400 2.120 4.282
77 HB2 HYP 9 3HB HYP 9 8.053 1.718 4.515
78 HB3 HYP 9 2HB HYP 9 7.724 2.072 2.815
79 HG HYP 9 2HG HYP 9 6.979 4.033 3.932
80 HD22 HYP 9 2HD HYP 9 8.531 4.566 1.997
81 HD23 HYP 9 3HD HYP 9 9.139 5.606 3.314
82 HD1 HYP 9 1HG HYP 9 8.287 5.035 5.563
83 H THR 10 HN THR 10 9.221 -0.169 3.454
84 HA THR 10 HA THR 10 10.755 -1.121 1.305
85 HB THR 10 HB THR 10 9.457 -3.147 1.667
86 HG1 THR 10 1HG THR 10 7.430 -2.746 3.048
87 HG21 THR 10 3HG2 THR 10 10.717 -1.968 3.784
88 HG22 THR 10 1HG2 THR 10 9.044 -1.956 4.395
89 HG23 THR 10 2HG2 THR 10 9.816 -3.495 3.941
90 H LYS 11 HN LYS 11 10.376 -1.437 -0.860
91 HA LYS 11 HA LYS 11 8.547 0.378 -2.039
92 HB2 LYS 11 2HB LYS 11 9.349 -0.803 -4.167
93 HB3 LYS 11 3HB LYS 11 10.536 0.071 -3.220
94 HG2 LYS 11 2HG LYS 11 11.544 -1.895 -2.401
95 HG3 LYS 11 3HG LYS 11 10.094 -2.855 -2.612
96 HD2 LYS 11 2HD LYS 11 11.259 -1.709 -5.121
97 HD3 LYS 11 3HD LYS 11 12.230 -2.932 -4.326
98 HE2 LYS 11 2HE LYS 11 10.655 -4.621 -4.672
99 HE3 LYS 11 3HE LYS 11 9.294 -3.518 -4.629
100 HZ1 LYS 11 3HZ LYS 11 9.644 -2.906 -6.792
101 HZ2 LYS 11 1HZ LYS 11 11.219 -3.335 -6.810
102 HZ3 LYS 11 2HZ LYS 11 10.060 -4.484 -6.851
103 H PHE 12 HN PHE 12 6.785 -0.763 -0.529
104 HA PHE 12 HA PHE 12 5.291 -2.447 -2.368
105 HB2 PHE 12 2HB PHE 12 5.612 -3.054 0.624
106 HB3 PHE 12 3HB PHE 12 4.876 -4.092 -0.580
107 HD1 PHE 12 2HD PHE 12 6.738 -4.313 -2.714
108 HD2 PHE 12 1HD PHE 12 7.543 -3.995 1.440
109 HE1 PHE 12 2HE PHE 12 8.933 -5.481 -3.051
110 HE2 PHE 12 1HE PHE 12 9.739 -5.163 1.103
111 HZ PHE 12 HZ PHE 12 10.408 -5.892 -1.138
112 HA HYP 13 HA HYP 13 1.697 -0.382 -1.269
113 HB2 HYP 13 3HB HYP 13 -0.195 -1.842 -1.374
114 HB3 HYP 13 2HB HYP 13 0.412 -2.882 -0.080
115 HG HYP 13 2HG HYP 13 0.851 -4.146 -2.045
116 HD22 HYP 13 2HD HYP 13 2.896 -3.953 -0.554
117 HD23 HYP 13 3HD HYP 13 3.539 -3.615 -2.184
118 HD1 HYP 13 1HG HYP 13 1.820 -3.151 -3.900
119 H ILE 14 HN ILE 14 0.739 0.949 0.243
120 HA ILE 14 HA ILE 14 1.384 0.456 3.022
121 HB ILE 14 HB ILE 14 -0.278 2.747 2.071
122 HG12 ILE 14 2HG1 ILE 14 1.335 2.810 0.360
123 HG13 ILE 14 3HG1 ILE 14 1.889 3.961 1.561
124 HG21 ILE 14 1HG2 ILE 14 1.556 3.762 3.758
125 HG22 ILE 14 2HG2 ILE 14 0.012 3.056 4.290
126 HG23 ILE 14 3HG2 ILE 14 1.502 2.085 4.349
127 HD11 ILE 14 3HD1 ILE 14 3.063 1.572 2.416
128 HD12 ILE 14 1HD1 ILE 14 3.154 1.465 0.642
129 HD13 ILE 14 2HD1 ILE 14 3.875 2.855 1.488
130 HA HYP 15 HA HYP 15 -2.013 -1.935 4.105
131 HB2 HYP 15 3HB HYP 15 -2.122 -1.901 6.496
132 HB3 HYP 15 2HB HYP 15 -2.249 -0.140 6.563
133 HG HYP 15 2HG HYP 15 0.009 -0.545 7.181
134 HD22 HYP 15 2HD HYP 15 -0.182 1.197 5.346
135 HD23 HYP 15 3HD HYP 15 1.138 0.139 4.776
136 HD1 HYP 15 1HG HYP 15 1.322 -2.020 5.967
137 H SER 16 HN SER 16 -4.337 -2.055 4.462
138 HA SER 16 HA SER 16 -5.955 -0.084 5.207
139 HB2 SER 16 2HB SER 16 -5.094 0.342 2.398
140 HB3 SER 16 3HB SER 16 -6.832 0.375 2.618
141 HG SER 16 HG SER 16 -5.133 1.859 4.399
142 HA HYP 17 HA HYP 17 -8.977 -3.135 4.836
143 HB2 HYP 17 3HB HYP 17 -11.152 -2.147 4.993
144 HB3 HYP 17 2HB HYP 17 -10.939 -1.208 3.511
145 HG HYP 17 2HG HYP 17 -10.641 0.409 5.227
146 HD22 HYP 17 2HD HYP 17 -8.758 0.461 3.527
147 HD23 HYP 17 3HD HYP 17 -7.905 0.534 5.092
148 HD1 HYP 17 1HG HYP 17 -9.291 -0.041 7.057
149 H ASN 18 HN ASN 18 -10.716 -4.370 3.506
150 HA ASN 18 HA ASN 18 -11.207 -3.909 0.905
151 HB2 ASN 18 2HB ASN 18 -8.503 -4.746 1.135
152 HB3 ASN 18 3HB ASN 18 -9.355 -6.183 0.607
153 HD21 ASN 18 1HD2 ASN 18 -9.713 -6.429 -1.464
154 HD22 ASN 18 2HD2 ASN 18 -9.684 -5.202 -2.685
155 HA HYP 19 HA HYP 19 -11.615 -8.640 2.149
156 HB2 HYP 19 3HB HYP 19 -10.396 -9.772 3.868
157 HB3 HYP 19 2HB HYP 19 -10.714 -8.510 5.063
158 HG HYP 19 2HG HYP 19 -8.456 -8.108 4.436
159 HD22 HYP 19 2HD HYP 19 -9.870 -6.004 4.319
160 HD23 HYP 19 3HD HYP 19 -8.945 -5.967 2.793
161 HD1 HYP 19 1HG HYP 19 -7.833 -8.095 2.203
162 H ARG 20 HN ARG 20 -12.988 -5.964 3.525
163 HA ARG 20 HA ARG 20 -15.102 -7.602 4.669
164 HB2 ARG 20 2HB ARG 20 -15.839 -5.023 5.279
165 HB3 ARG 20 3HB ARG 20 -14.880 -6.036 6.340
166 HG2 ARG 20 2HG ARG 20 -12.784 -5.116 5.304
167 HG3 ARG 20 3HG ARG 20 -13.756 -4.086 4.272
168 HD2 ARG 20 2HD ARG 20 -13.729 -2.524 5.923
169 HD3 ARG 20 3HD ARG 20 -14.746 -3.587 6.874
170 HE ARG 20 HE ARG 20 -12.209 -4.611 7.298
171 HH11 ARG 20 2HH2 ARG 20 -13.627 -1.407 7.624
172 HH12 ARG 20 1HH2 ARG 20 -12.560 -0.926 8.900
173 HH21 ARG 20 2HH1 ARG 20 -10.801 -3.977 8.982
174 HH22 ARG 20 1HH1 ARG 20 -10.942 -2.397 9.678
175 H ASP 21 HN ASP 21 -14.418 -7.047 1.740
176 HA ASP 21 HA ASP 21 -16.869 -5.630 1.049
177 HB2 ASP 21 2HB ASP 21 -15.145 -4.436 -0.014
178 HB3 ASP 21 3HB ASP 21 -14.159 -5.865 -0.252
179 H LYS 22 HN LYS 22 -18.469 -6.924 0.113
180 HA LYS 22 HA LYS 22 -19.480 -8.655 -0.806
181 HB2 LYS 22 2HB LYS 22 -16.906 -8.549 -2.296
182 HB3 LYS 22 3HB LYS 22 -17.845 -10.019 -2.463
183 HG2 LYS 22 2HG LYS 22 -19.709 -8.889 -3.395
184 HG3 LYS 22 3HG LYS 22 -19.235 -7.340 -2.725
185 HD2 LYS 22 2HD LYS 22 -17.192 -8.464 -4.545
186 HD3 LYS 22 3HD LYS 22 -18.736 -8.218 -5.336
187 HE2 LYS 22 2HE LYS 22 -18.640 -5.850 -4.086
188 HE3 LYS 22 3HE LYS 22 -16.919 -6.175 -4.050
189 HZ1 LYS 22 3HZ LYS 22 -18.363 -5.228 -6.163
190 HZ2 LYS 22 1HZ LYS 22 -16.797 -5.691 -6.179
191 HZ3 LYS 22 2HZ LYS 22 -17.967 -6.754 -6.588
192 H TRP 23 HN TRP 23 -17.522 -8.836 1.672
193 HA TRP 23 HA TRP 23 -16.674 -11.511 1.781
194 HB2 TRP 23 2HB TRP 23 -15.726 -10.823 3.651
195 HB3 TRP 23 3HB TRP 23 -16.391 -9.234 3.326
196 HD1 TRP 23 1HD TRP 23 -18.783 -8.649 4.653
197 HE1 TRP 23 1HE TRP 23 -19.773 -9.431 6.971
198 HE3 TRP 23 3HE TRP 23 -15.802 -12.740 5.141
199 HZ2 TRP 23 2HZ TRP 23 -19.210 -11.622 8.710
200 HZ3 TRP 23 3HZ TRP 23 -16.087 -14.146 7.180
201 HH2 TRP 23 2HH TRP 23 -17.720 -13.644 8.928
202 H CYS 24 HN CYS 24 -17.722 -12.703 4.020
203 HA CYS 24 HA CYS 24 -20.473 -13.155 3.170
204 HB2 CYS 24 3HB CYS 24 -18.330 -14.872 3.953
205 HB3 CYS 24 2HB CYS 24 -19.619 -15.047 5.127
206 H ARG 25 HN ARG 25 -21.304 -11.209 4.246
207 HA ARG 25 HA ARG 25 -20.872 -11.040 7.068
208 HB2 ARG 25 2HB ARG 25 -21.101 -9.065 5.350
209 HB3 ARG 25 3HB ARG 25 -22.826 -9.350 5.454
210 HG2 ARG 25 2HG ARG 25 -21.779 -9.303 8.144
211 HG3 ARG 25 3HG ARG 25 -21.138 -7.908 7.298
212 HD2 ARG 25 2HD ARG 25 -23.705 -7.720 6.452
213 HD3 ARG 25 3HD ARG 25 -24.000 -8.590 7.944
214 HE ARG 25 HE ARG 25 -22.230 -6.496 8.608
215 HH11 ARG 25 2HH2 ARG 25 -25.490 -6.811 7.323
216 HH12 ARG 25 1HH2 ARG 25 -26.034 -5.307 7.987
217 HH21 ARG 25 2HH1 ARG 25 -22.947 -4.512 9.485
218 HH22 ARG 25 1HH1 ARG 25 -24.578 -3.990 9.224
219 H LEU 26 HN LEU 26 -23.298 -12.178 4.747
220 HA LEU 26 HA LEU 26 -24.857 -13.214 6.966
221 HB2 LEU 26 2HB LEU 26 -26.906 -12.414 5.450
222 HB3 LEU 26 3HB LEU 26 -26.281 -11.506 6.813
223 HG LEU 26 HG LEU 26 -24.888 -10.837 4.335
224 HD11 LEU 26 1HD1 LEU 26 -27.889 -10.424 4.428
225 HD12 LEU 26 2HD1 LEU 26 -26.778 -9.615 3.295
226 HD13 LEU 26 3HD1 LEU 26 -26.970 -11.385 3.244
227 HD21 LEU 26 3HD2 LEU 26 -25.146 -9.647 6.688
228 HD22 LEU 26 1HD2 LEU 26 -24.919 -8.719 5.187
229 HD23 LEU 26 2HD2 LEU 26 -26.547 -8.897 5.886
230 H ASN 27 HN ASN 27 -26.949 -14.347 5.535
231 HA ASN 27 HA ASN 27 -25.753 -16.581 4.520
232 HB2 ASN 27 2HB ASN 27 -28.210 -16.201 5.280
233 HB3 ASN 27 3HB ASN 27 -28.511 -15.568 3.675
234 HD21 ASN 27 1HD2 ASN 27 -30.059 -17.427 3.843
235 HD22 ASN 27 2HD2 ASN 27 -29.540 -18.972 3.256
236 H LEU 28 HN LEU 28 -24.143 -15.921 2.910
237 HA LEU 28 HA LEU 28 -24.818 -14.286 0.716
238 HB2 LEU 28 2HB LEU 28 -22.525 -15.105 1.855
239 HB3 LEU 28 3HB LEU 28 -22.584 -16.226 0.509
240 HG LEU 28 HG LEU 28 -23.010 -14.052 -0.916
241 HD11 LEU 28 1HD1 LEU 28 -23.261 -12.406 0.743
242 HD12 LEU 28 2HD1 LEU 28 -21.832 -12.967 1.642
243 HD13 LEU 28 3HD1 LEU 28 -21.632 -12.149 0.074
244 HD21 LEU 28 3HD2 LEU 28 -20.326 -14.889 0.206
245 HD22 LEU 28 1HD2 LEU 28 -21.118 -15.473 -1.277
246 HD23 LEU 28 2HD2 LEU 28 -20.538 -13.793 -1.181
247 H GLY 29 HN GLY 29 -23.795 -15.756 -1.511
248 HA2 GLY 29 2HA GLY 29 -25.391 -18.156 -1.789
249 HA3 GLY 29 1HA GLY 29 -25.983 -16.777 -2.696
250 HA PRO 30 HA PRO 30 -23.574 -18.015 -6.059
251 HB2 PRO 30 2HB PRO 30 -23.259 -15.598 -7.398
252 HB3 PRO 30 3HB PRO 30 -24.793 -16.465 -7.230
253 HG2 PRO 30 2HG PRO 30 -23.786 -14.130 -5.510
254 HG3 PRO 30 3HG PRO 30 -25.372 -14.294 -6.295
255 HD2 PRO 30 2HD PRO 30 -25.007 -14.942 -3.621
256 HD3 PRO 30 3HD PRO 30 -26.135 -15.891 -4.633
257 H ALA 31 HN ALA 31 -21.570 -18.431 -4.147
258 HA ALA 31 HA ALA 31 -19.254 -18.223 -5.371
259 HB1 ALA 31 1HB ALA 31 -20.049 -15.506 -4.391
260 HB2 ALA 31 2HB ALA 31 -18.348 -15.989 -4.197
261 HB3 ALA 31 3HB ALA 31 -19.088 -15.970 -5.815
262 H TRP 32 HN TRP 32 -21.164 -17.921 -2.461
263 HA TRP 32 HA TRP 32 -18.990 -19.242 -0.993
264 HB2 TRP 32 2HB TRP 32 -19.727 -16.676 -0.483
265 HB3 TRP 32 3HB TRP 32 -20.823 -17.542 0.578
266 HD1 TRP 32 1HD TRP 32 -19.738 -18.709 2.743
267 HE1 TRP 32 1HE TRP 32 -17.384 -18.674 3.934
268 HE3 TRP 32 3HE TRP 32 -17.233 -16.540 -1.114
269 HZ2 TRP 32 2HZ TRP 32 -14.796 -17.765 3.147
270 HZ3 TRP 32 3HZ TRP 32 -14.795 -16.113 -0.821
271 HH2 TRP 32 2HH TRP 32 -13.577 -16.688 1.219
272 H GLY 33 HN GLY 33 -20.956 -19.289 1.358
273 HA2 GLY 33 2HA GLY 33 -23.266 -20.212 1.460
274 HA3 GLY 33 1HA GLY 33 -22.738 -21.390 0.275
275 H GLY 34 HN GLY 34 -23.513 -21.256 3.395
276 HA2 GLY 34 2HA GLY 34 -23.136 -22.755 5.056
277 HA3 GLY 34 1HA GLY 34 -21.870 -23.504 4.104
278 H ARG 35 HN ARG 35 -22.386 -21.968 6.968
279 HA ARG 35 HA ARG 35 -21.235 -20.720 8.336
280 HB2 ARG 35 2HB ARG 35 -19.934 -22.822 8.424
281 HB3 ARG 35 3HB ARG 35 -18.953 -22.312 7.065
282 HG2 ARG 35 2HG ARG 35 -18.966 -20.300 9.217
283 HG3 ARG 35 3HG ARG 35 -18.400 -21.857 9.787
284 HD2 ARG 35 2HD ARG 35 -17.214 -21.328 7.188
285 HD3 ARG 35 3HD ARG 35 -16.963 -19.932 8.217
286 HE ARG 35 HE ARG 35 -16.309 -22.025 9.890
287 HH11 ARG 35 2HH2 ARG 35 -15.290 -21.138 6.641
288 HH12 ARG 35 1HH2 ARG 35 -13.717 -21.846 6.804
289 HH21 ARG 35 2HH1 ARG 35 -14.235 -22.959 10.105
290 HH22 ARG 35 1HH1 ARG 35 -13.113 -22.889 8.786
291 H CYS 36 HN CYS 36 -21.748 -18.718 7.030
292 HA CYS 36 HA CYS 36 -19.833 -17.762 5.183
293 HB2 CYS 36 3HB CYS 36 -22.402 -16.913 6.263
294 HB3 CYS 36 2HB CYS 36 -21.294 -15.568 6.079
Start of MODEL 18
1 H1 TRP 1 HN TRP 1 23.165 13.306 -14.679
2 HA TRP 1 HA TRP 1 24.460 15.110 -13.348
3 HB2 TRP 1 2HB TRP 1 24.271 15.290 -15.705
4 HB3 TRP 1 3HB TRP 1 22.554 15.627 -15.625
5 HD1 TRP 1 1HD TRP 1 21.928 18.174 -15.670
6 HE1 TRP 1 1HE TRP 1 23.141 20.502 -15.402
7 HE3 TRP 1 3HE TRP 1 26.427 16.260 -14.274
8 HZ2 TRP 1 2HZ TRP 1 25.787 21.264 -14.653
9 HZ3 TRP 1 3HZ TRP 1 28.273 17.866 -13.793
10 HH2 TRP 1 2HH TRP 1 28.008 20.289 -13.963
11 H GLU 2 HN GLU 2 23.350 14.895 -11.153
12 HA GLU 2 HA GLU 2 21.926 15.530 -9.598
13 HB2 GLU 2 2HB GLU 2 21.833 18.097 -9.387
14 HB3 GLU 2 3HB GLU 2 23.424 17.363 -9.426
15 HG2 GLU 2 2HG GLU 2 23.634 17.875 -11.845
16 HG3 GLU 2 3HG GLU 2 22.010 18.533 -11.869
17 H TRP 3 HN TRP 3 19.922 14.571 -10.183
18 HA TRP 3 HA TRP 3 18.008 16.490 -11.296
19 HB2 TRP 3 2HB TRP 3 16.981 14.788 -12.649
20 HB3 TRP 3 3HB TRP 3 18.659 14.996 -13.107
21 HD1 TRP 3 1HD TRP 3 16.260 12.301 -12.243
22 HE1 TRP 3 1HE TRP 3 17.408 9.953 -11.880
23 HE3 TRP 3 3HE TRP 3 21.014 14.082 -11.956
24 HZ2 TRP 3 2HZ TRP 3 20.114 9.122 -11.521
25 HZ3 TRP 3 3HZ TRP 3 22.851 12.436 -11.598
26 HH2 TRP 3 2HH TRP 3 22.462 10.032 -11.383
27 HA PRO 4 HA PRO 4 17.285 14.261 -7.185
28 HB2 PRO 4 2HB PRO 4 17.035 16.518 -5.582
29 HB3 PRO 4 3HB PRO 4 18.574 15.787 -6.059
30 HG2 PRO 4 2HG PRO 4 17.175 18.184 -7.372
31 HG3 PRO 4 3HG PRO 4 18.870 18.069 -6.850
32 HD2 PRO 4 2HD PRO 4 18.139 17.635 -9.492
33 HD3 PRO 4 3HD PRO 4 19.463 16.688 -8.756
34 H TRP 5 HN TRP 5 15.003 14.928 -9.346
35 HA TRP 5 HA TRP 5 12.920 15.450 -7.346
36 HB2 TRP 5 2HB TRP 5 11.497 15.789 -9.432
37 HB3 TRP 5 3HB TRP 5 12.659 17.031 -9.011
38 HD1 TRP 5 1HD TRP 5 13.941 13.884 -10.807
39 HE1 TRP 5 1HE TRP 5 14.757 14.437 -13.255
40 HE3 TRP 5 3HE TRP 5 12.215 18.667 -10.867
41 HZ2 TRP 5 2HZ TRP 5 14.593 16.760 -14.904
42 HZ3 TRP 5 3HZ TRP 5 12.584 20.008 -12.934
43 HH2 TRP 5 2HH TRP 5 13.728 19.128 -14.907
44 H ASN 6 HN ASN 6 11.795 14.047 -10.260
45 HA ASN 6 HA ASN 6 10.967 12.112 -10.778
46 HB2 ASN 6 2HB ASN 6 13.555 11.436 -9.522
47 HB3 ASN 6 3HB ASN 6 12.403 10.124 -9.365
48 HD21 ASN 6 1HD2 ASN 6 13.150 8.711 -10.804
49 HD22 ASN 6 2HD2 ASN 6 13.309 8.981 -12.508
50 H ARG 7 HN ARG 7 9.019 12.659 -9.460
51 HA ARG 7 HA ARG 7 8.962 11.718 -6.776
52 HB2 ARG 7 2HB ARG 7 7.010 13.105 -8.634
53 HB3 ARG 7 3HB ARG 7 6.393 12.355 -7.176
54 HG2 ARG 7 2HG ARG 7 8.465 13.687 -6.062
55 HG3 ARG 7 3HG ARG 7 8.243 14.714 -7.464
56 HD2 ARG 7 2HD ARG 7 6.338 15.632 -6.609
57 HD3 ARG 7 3HD ARG 7 5.658 14.061 -6.236
58 HE ARG 7 HE ARG 7 6.398 14.293 -4.028
59 HH11 ARG 7 2HH2 ARG 7 8.140 16.571 -6.068
60 HH12 ARG 7 1HH2 ARG 7 8.915 17.365 -4.738
61 HH21 ARG 7 2HH1 ARG 7 7.420 15.340 -2.274
62 HH22 ARG 7 1HH1 ARG 7 8.502 16.661 -2.565
63 H LYS 8 HN LYS 8 9.614 9.466 -7.987
64 HA LYS 8 HA LYS 8 7.089 7.994 -8.201
65 HB2 LYS 8 2HB LYS 8 8.825 8.497 -10.348
66 HB3 LYS 8 3HB LYS 8 9.189 6.854 -9.858
67 HG2 LYS 8 2HG LYS 8 7.361 6.263 -11.086
68 HG3 LYS 8 3HG LYS 8 6.419 6.856 -9.733
69 HD2 LYS 8 2HD LYS 8 5.910 8.891 -10.787
70 HD3 LYS 8 3HD LYS 8 7.351 8.862 -11.783
71 HE2 LYS 8 2HE LYS 8 5.320 6.678 -12.217
72 HE3 LYS 8 3HE LYS 8 4.911 8.285 -12.783
73 HZ1 LYS 8 3HZ LYS 8 6.036 7.202 -14.507
74 HZ2 LYS 8 1HZ LYS 8 7.115 8.270 -13.905
75 HZ3 LYS 8 2HZ LYS 8 7.247 6.683 -13.542
76 HA HYP 9 HA HYP 9 9.831 6.636 -4.783
77 HB2 HYP 9 3HB HYP 9 8.466 6.775 -2.824
78 HB3 HYP 9 2HB HYP 9 7.091 5.986 -3.605
79 HG HYP 9 2HG HYP 9 6.462 8.277 -3.584
80 HD22 HYP 9 2HD HYP 9 6.208 7.238 -5.884
81 HD23 HYP 9 3HD HYP 9 7.011 8.796 -6.220
82 HD1 HYP 9 1HG HYP 9 7.960 9.922 -4.234
83 H THR 10 HN THR 10 9.584 4.531 -3.216
84 HA THR 10 HA THR 10 9.570 2.240 -4.873
85 HB THR 10 HB THR 10 9.560 1.169 -2.455
86 HG1 THR 10 1HG THR 10 9.816 2.820 -0.846
87 HG21 THR 10 3HG2 THR 10 11.881 1.843 -2.041
88 HG22 THR 10 1HG2 THR 10 11.675 1.667 -3.801
89 HG23 THR 10 2HG2 THR 10 11.686 3.287 -3.063
90 H LYS 11 HN LYS 11 8.184 0.236 -4.144
91 HA LYS 11 HA LYS 11 5.426 1.142 -4.429
92 HB2 LYS 11 2HB LYS 11 6.992 -0.960 -5.575
93 HB3 LYS 11 3HB LYS 11 5.691 -1.694 -4.661
94 HG2 LYS 11 2HG LYS 11 4.718 -1.311 -6.788
95 HG3 LYS 11 3HG LYS 11 4.121 0.025 -5.822
96 HD2 LYS 11 2HD LYS 11 5.715 1.568 -6.779
97 HD3 LYS 11 3HD LYS 11 6.664 0.272 -7.481
98 HE2 LYS 11 2HE LYS 11 3.772 0.849 -8.280
99 HE3 LYS 11 3HE LYS 11 5.152 1.526 -9.120
100 HZ1 LYS 11 3HZ LYS 11 5.562 -0.410 -10.091
101 HZ2 LYS 11 1HZ LYS 11 5.326 -1.295 -8.738
102 HZ3 LYS 11 2HZ LYS 11 4.050 -0.846 -9.653
103 H PHE 12 HN PHE 12 5.940 1.837 -1.994
104 HA PHE 12 HA PHE 12 6.209 0.129 0.055
105 HB2 PHE 12 2HB PHE 12 4.368 1.790 1.096
106 HB3 PHE 12 3HB PHE 12 5.924 2.425 0.601
107 HD1 PHE 12 2HD PHE 12 2.554 1.752 -0.867
108 HD2 PHE 12 1HD PHE 12 5.939 4.307 -0.727
109 HE1 PHE 12 2HE PHE 12 1.406 3.356 -2.418
110 HE2 PHE 12 1HE PHE 12 4.790 5.913 -2.278
111 HZ PHE 12 HZ PHE 12 2.537 5.417 -3.105
112 HA HYP 13 HA HYP 13 3.016 -2.680 0.609
113 HB2 HYP 13 3HB HYP 13 2.743 -3.140 2.940
114 HB3 HYP 13 2HB HYP 13 2.269 -1.479 3.313
115 HG HYP 13 2HG HYP 13 4.517 -1.587 4.078
116 HD22 HYP 13 2HD HYP 13 4.111 0.421 2.580
117 HD23 HYP 13 3HD HYP 13 5.647 -0.248 1.968
118 HD1 HYP 13 1HG HYP 13 6.172 -2.531 2.760
119 H ILE 14 HN ILE 14 0.999 -3.062 -0.157
120 HA ILE 14 HA ILE 14 -0.902 -1.023 -0.458
121 HB ILE 14 HB ILE 14 -0.826 -2.917 -1.923
122 HG12 ILE 14 2HG1 ILE 14 -3.374 -2.843 -0.282
123 HG13 ILE 14 3HG1 ILE 14 -2.982 -1.819 -1.649
124 HG21 ILE 14 1HG2 ILE 14 -1.256 -4.526 0.588
125 HG22 ILE 14 2HG2 ILE 14 -1.690 -5.165 -1.016
126 HG23 ILE 14 3HG2 ILE 14 -0.006 -4.704 -0.666
127 HD11 ILE 14 3HD1 ILE 14 -4.285 -3.482 -2.666
128 HD12 ILE 14 1HD1 ILE 14 -2.641 -4.110 -2.934
129 HD13 ILE 14 2HD1 ILE 14 -3.641 -4.768 -1.617
130 HA HYP 15 HA HYP 15 -2.416 -0.240 3.487
131 HB2 HYP 15 3HB HYP 15 -4.409 1.049 3.184
132 HB3 HYP 15 2HB HYP 15 -5.176 -0.190 2.184
133 HG HYP 15 2HG HYP 15 -4.491 1.440 0.597
134 HD22 HYP 15 2HD HYP 15 -3.743 -0.897 -0.049
135 HD23 HYP 15 3HD HYP 15 -2.287 0.094 -0.327
136 HD1 HYP 15 1HG HYP 15 -2.362 2.351 0.680
137 H SER 16 HN SER 16 -3.810 -0.945 5.282
138 HA SER 16 HA SER 16 -4.290 -3.699 5.298
139 HB2 SER 16 2HB SER 16 -4.223 -1.565 7.175
140 HB3 SER 16 3HB SER 16 -5.830 -2.254 7.312
141 HG SER 16 HG SER 16 -4.990 -4.237 7.892
142 HA HYP 17 HA HYP 17 -8.921 -2.096 5.244
143 HB2 HYP 17 3HB HYP 17 -9.648 0.179 5.097
144 HB3 HYP 17 2HB HYP 17 -8.540 0.551 3.772
145 HG HYP 17 2HG HYP 17 -7.484 1.545 5.656
146 HD22 HYP 17 2HD HYP 17 -5.893 0.074 4.334
147 HD23 HYP 17 3HD HYP 17 -5.579 -0.392 6.027
148 HD1 HYP 17 1HG HYP 17 -7.279 0.378 7.649
149 H ASN 18 HN ASN 18 -9.975 -3.384 3.839
150 HA ASN 18 HA ASN 18 -9.439 -3.041 1.023
151 HB2 ASN 18 2HB ASN 18 -10.632 -5.162 2.766
152 HB3 ASN 18 3HB ASN 18 -11.398 -4.995 1.199
153 HD21 ASN 18 1HD2 ASN 18 -10.405 -5.670 -0.606
154 HD22 ASN 18 2HD2 ASN 18 -8.846 -6.423 -0.672
155 HA HYP 19 HA HYP 19 -12.994 -0.826 -0.118
156 HB2 HYP 19 3HB HYP 19 -13.771 -1.522 -2.272
157 HB3 HYP 19 2HB HYP 19 -14.114 -3.167 -1.726
158 HG HYP 19 2HG HYP 19 -12.088 -3.409 -2.945
159 HD22 HYP 19 2HD HYP 19 -11.955 -4.479 -0.647
160 HD23 HYP 19 3HD HYP 19 -10.416 -3.584 -0.777
161 HD1 HYP 19 1HG HYP 19 -10.327 -1.937 -2.620
162 H ARG 20 HN ARG 20 -14.332 -0.356 1.587
163 HA ARG 20 HA ARG 20 -16.038 -0.535 2.955
164 HB2 ARG 20 2HB ARG 20 -17.093 0.301 0.885
165 HB3 ARG 20 3HB ARG 20 -17.324 -1.332 0.296
166 HG2 ARG 20 2HG ARG 20 -19.271 -1.542 1.443
167 HG3 ARG 20 3HG ARG 20 -18.490 -1.108 2.950
168 HD2 ARG 20 2HD ARG 20 -18.886 1.236 2.619
169 HD3 ARG 20 3HD ARG 20 -19.225 1.029 0.912
170 HE ARG 20 HE ARG 20 -21.110 0.694 3.094
171 HH11 ARG 20 2HH2 ARG 20 -20.320 -0.463 -0.134
172 HH12 ARG 20 1HH2 ARG 20 -21.944 -0.945 -0.497
173 HH21 ARG 20 2HH1 ARG 20 -23.251 0.059 2.616
174 HH22 ARG 20 1HH1 ARG 20 -23.623 -0.646 1.077
175 H ASP 21 HN ASP 21 -14.532 -2.888 3.226
176 HA ASP 21 HA ASP 21 -16.419 -5.061 3.036
177 HB2 ASP 21 2HB ASP 21 -13.462 -4.832 3.689
178 HB3 ASP 21 3HB ASP 21 -14.330 -6.309 4.059
179 H LYS 22 HN LYS 22 -17.870 -5.043 4.785
180 HA LYS 22 HA LYS 22 -18.642 -5.016 6.853
181 HB2 LYS 22 2HB LYS 22 -15.882 -5.762 7.831
182 HB3 LYS 22 3HB LYS 22 -17.432 -6.168 8.538
183 HG2 LYS 22 2HG LYS 22 -17.981 -7.671 6.718
184 HG3 LYS 22 3HG LYS 22 -16.653 -7.081 5.737
185 HD2 LYS 22 2HD LYS 22 -15.309 -8.678 6.616
186 HD3 LYS 22 3HD LYS 22 -15.487 -7.946 8.199
187 HE2 LYS 22 2HE LYS 22 -17.223 -9.403 8.837
188 HE3 LYS 22 3HE LYS 22 -17.717 -9.716 7.185
189 HZ1 LYS 22 3HZ LYS 22 -15.393 -10.791 8.596
190 HZ2 LYS 22 1HZ LYS 22 -16.596 -11.606 7.851
191 HZ3 LYS 22 2HZ LYS 22 -15.473 -10.819 6.965
192 H TRP 23 HN TRP 23 -17.552 -2.553 5.635
193 HA TRP 23 HA TRP 23 -16.208 -1.118 7.698
194 HB2 TRP 23 2HB TRP 23 -15.788 0.290 6.055
195 HB3 TRP 23 3HB TRP 23 -16.635 -0.800 4.975
196 HD1 TRP 23 1HD TRP 23 -19.322 -0.160 4.505
197 HE1 TRP 23 1HE TRP 23 -20.615 2.140 4.434
198 HE3 TRP 23 3HE TRP 23 -15.827 2.486 7.083
199 HZ2 TRP 23 2HZ TRP 23 -20.044 4.748 5.442
200 HZ3 TRP 23 3HZ TRP 23 -16.273 4.903 7.497
201 HH2 TRP 23 2HH TRP 23 -18.296 6.037 6.722
202 H CYS 24 HN CYS 24 -17.496 1.249 8.065
203 HA CYS 24 HA CYS 24 -20.171 1.375 8.311
204 HB2 CYS 24 3HB CYS 24 -19.061 -0.440 10.344
205 HB3 CYS 24 2HB CYS 24 -20.072 0.835 10.994
206 H ARG 25 HN ARG 25 -20.546 3.511 8.896
207 HA ARG 25 HA ARG 25 -18.534 5.238 9.264
208 HB2 ARG 25 2HB ARG 25 -21.197 5.514 8.970
209 HB3 ARG 25 3HB ARG 25 -21.139 5.800 10.697
210 HG2 ARG 25 2HG ARG 25 -20.026 7.816 10.472
211 HG3 ARG 25 3HG ARG 25 -19.085 7.271 9.098
212 HD2 ARG 25 2HD ARG 25 -20.490 8.667 7.924
213 HD3 ARG 25 3HD ARG 25 -21.559 7.279 7.946
214 HE ARG 25 HE ARG 25 -21.962 8.764 10.360
215 HH11 ARG 25 2HH2 ARG 25 -22.531 9.042 6.899
216 HH12 ARG 25 1HH2 ARG 25 -23.905 10.079 7.078
217 HH21 ARG 25 2HH1 ARG 25 -23.775 10.133 10.598
218 HH22 ARG 25 1HH1 ARG 25 -24.618 10.705 9.197
219 H LEU 26 HN LEU 26 -19.815 2.972 11.573
220 HA LEU 26 HA LEU 26 -18.634 4.457 13.802
221 HB2 LEU 26 2HB LEU 26 -20.485 2.069 13.802
222 HB3 LEU 26 3HB LEU 26 -19.876 2.896 15.222
223 HG LEU 26 HG LEU 26 -21.010 5.005 14.073
224 HD11 LEU 26 1HD1 LEU 26 -21.674 3.148 12.187
225 HD12 LEU 26 2HD1 LEU 26 -23.130 3.153 13.212
226 HD13 LEU 26 3HD1 LEU 26 -22.551 4.669 12.480
227 HD21 LEU 26 3HD2 LEU 26 -21.506 3.686 16.281
228 HD22 LEU 26 1HD2 LEU 26 -22.700 4.831 15.625
229 HD23 LEU 26 2HD2 LEU 26 -22.909 3.082 15.369
230 H ASN 27 HN ASN 27 -18.039 2.301 15.506
231 HA ASN 27 HA ASN 27 -15.690 1.342 14.141
232 HB2 ASN 27 2HB ASN 27 -16.156 2.278 16.730
233 HB3 ASN 27 3HB ASN 27 -16.130 0.544 16.979
234 HD21 ASN 27 1HD2 ASN 27 -14.384 3.111 15.241
235 HD22 ASN 27 2HD2 ASN 27 -12.782 2.510 15.508
236 H LEU 28 HN LEU 28 -15.687 -0.744 13.289
237 HA LEU 28 HA LEU 28 -17.850 -2.519 14.037
238 HB2 LEU 28 2HB LEU 28 -16.572 -1.930 11.669
239 HB3 LEU 28 3HB LEU 28 -15.859 -3.470 12.112
240 HG LEU 28 HG LEU 28 -18.693 -3.658 12.492
241 HD11 LEU 28 1HD1 LEU 28 -17.898 -2.015 10.196
242 HD12 LEU 28 2HD1 LEU 28 -18.901 -3.420 9.763
243 HD13 LEU 28 3HD1 LEU 28 -19.490 -2.240 10.958
244 HD21 LEU 28 3HD2 LEU 28 -17.503 -5.000 10.156
245 HD22 LEU 28 1HD2 LEU 28 -16.643 -5.270 11.692
246 HD23 LEU 28 2HD2 LEU 28 -18.373 -5.671 11.557
247 H GLY 29 HN GLY 29 -16.564 -5.022 13.619
248 HA2 GLY 29 2HA GLY 29 -14.934 -6.411 14.508
249 HA3 GLY 29 1HA GLY 29 -14.397 -5.132 15.578
250 HA PRO 30 HA PRO 30 -16.133 -7.827 18.618
251 HB2 PRO 30 2HB PRO 30 -15.838 -6.129 20.799
252 HB3 PRO 30 3HB PRO 30 -14.508 -6.962 19.984
253 HG2 PRO 30 2HG PRO 30 -15.436 -4.071 19.535
254 HG3 PRO 30 3HG PRO 30 -13.779 -4.645 19.827
255 HD2 PRO 30 2HD PRO 30 -14.704 -4.147 17.258
256 HD3 PRO 30 3HD PRO 30 -13.572 -5.496 17.564
257 H ALA 31 HN ALA 31 -18.481 -7.294 17.179
258 HA ALA 31 HA ALA 31 -20.505 -7.472 18.805
259 HB1 ALA 31 1HB ALA 31 -20.196 -5.675 20.228
260 HB2 ALA 31 2HB ALA 31 -19.485 -4.651 18.958
261 HB3 ALA 31 3HB ALA 31 -21.245 -4.921 19.004
262 H TRP 32 HN TRP 32 -19.034 -6.412 15.933
263 HA TRP 32 HA TRP 32 -21.651 -6.046 14.646
264 HB2 TRP 32 2HB TRP 32 -19.717 -4.256 14.603
265 HB3 TRP 32 3HB TRP 32 -19.071 -5.288 13.343
266 HD1 TRP 32 1HD TRP 32 -20.090 -4.924 10.941
267 HE1 TRP 32 1HE TRP 32 -22.064 -3.561 9.843
268 HE3 TRP 32 3HE TRP 32 -22.215 -3.461 15.322
269 HZ2 TRP 32 2HZ TRP 32 -24.245 -2.058 10.905
270 HZ3 TRP 32 3HZ TRP 32 -24.265 -2.047 15.204
271 HH2 TRP 32 2HH TRP 32 -25.279 -1.347 13.093
272 H GLY 33 HN GLY 33 -20.420 -6.537 11.983
273 HA2 GLY 33 2HA GLY 33 -18.999 -8.657 11.413
274 HA3 GLY 33 1HA GLY 33 -20.377 -9.464 12.135
275 H GLY 34 HN GLY 34 -21.829 -10.194 10.653
276 HA2 GLY 34 2HA GLY 34 -22.604 -10.446 8.482
277 HA3 GLY 34 1HA GLY 34 -23.472 -9.031 9.041
278 H ARG 35 HN ARG 35 -23.089 -7.009 8.108
279 HA ARG 35 HA ARG 35 -20.796 -6.214 6.919
280 HB2 ARG 35 2HB ARG 35 -20.941 -7.903 5.205
281 HB3 ARG 35 3HB ARG 35 -22.662 -7.655 4.989
282 HG2 ARG 35 2HG ARG 35 -21.009 -5.220 4.532
283 HG3 ARG 35 3HG ARG 35 -20.696 -6.524 3.404
284 HD2 ARG 35 2HD ARG 35 -23.548 -5.671 4.026
285 HD3 ARG 35 3HD ARG 35 -22.597 -4.803 2.838
286 HE ARG 35 HE ARG 35 -22.328 -7.529 2.180
287 HH11 ARG 35 2HH2 ARG 35 -24.946 -5.192 2.434
288 HH12 ARG 35 1HH2 ARG 35 -25.925 -5.967 1.233
289 HH21 ARG 35 2HH1 ARG 35 -23.619 -8.552 0.595
290 HH22 ARG 35 1HH1 ARG 35 -25.165 -7.890 0.180
291 H CYS 36 HN CYS 36 -21.084 -4.003 6.946
292 HA CYS 36 HA CYS 36 -23.332 -2.721 7.572
293 HB2 CYS 36 3HB CYS 36 -20.778 -1.995 6.664
294 HB3 CYS 36 2HB CYS 36 -21.893 -1.135 5.621
Start of MODEL 19
1 H1 TRP 1 HN TRP 1 17.702 -4.725 -16.597
2 HA TRP 1 HA TRP 1 19.205 -6.308 -15.895
3 HB2 TRP 1 2HB TRP 1 16.513 -6.801 -14.661
4 HB3 TRP 1 3HB TRP 1 17.897 -7.764 -14.185
5 HD1 TRP 1 1HD TRP 1 20.187 -5.774 -13.735
6 HE1 TRP 1 1HE TRP 1 20.170 -3.789 -11.998
7 HE3 TRP 1 3HE TRP 1 15.125 -5.439 -13.372
8 HZ2 TRP 1 2HZ TRP 1 18.089 -2.334 -10.694
9 HZ3 TRP 1 3HZ TRP 1 14.183 -3.710 -11.845
10 HH2 TRP 1 2HH TRP 1 15.577 -2.190 -10.533
11 H GLU 2 HN GLU 2 19.225 -7.125 -18.333
12 HA GLU 2 HA GLU 2 19.028 -8.737 -19.817
13 HB2 GLU 2 2HB GLU 2 20.004 -10.922 -19.024
14 HB3 GLU 2 3HB GLU 2 20.948 -9.518 -18.570
15 HG2 GLU 2 2HG GLU 2 19.968 -9.542 -16.300
16 HG3 GLU 2 3HG GLU 2 18.902 -10.860 -16.740
17 H TRP 3 HN TRP 3 16.468 -8.135 -19.159
18 HA TRP 3 HA TRP 3 14.400 -8.918 -19.251
19 HB2 TRP 3 2HB TRP 3 15.795 -11.511 -19.915
20 HB3 TRP 3 3HB TRP 3 14.051 -11.339 -19.888
21 HD1 TRP 3 1HD TRP 3 17.115 -10.076 -21.894
22 HE1 TRP 3 1HE TRP 3 16.393 -9.223 -24.285
23 HE3 TRP 3 3HE TRP 3 12.108 -10.476 -21.101
24 HZ2 TRP 3 2HZ TRP 3 13.866 -8.820 -25.546
25 HZ3 TRP 3 3HZ TRP 3 10.582 -9.833 -22.964
26 HH2 TRP 3 2HH TRP 3 11.387 -9.028 -25.128
27 HA PRO 4 HA PRO 4 13.630 -9.793 -15.100
28 HB2 PRO 4 2HB PRO 4 10.955 -10.547 -15.170
29 HB3 PRO 4 3HB PRO 4 11.554 -8.924 -15.542
30 HG2 PRO 4 2HG PRO 4 10.867 -11.148 -17.543
31 HG3 PRO 4 3HG PRO 4 10.333 -9.453 -17.580
32 HD2 PRO 4 2HD PRO 4 12.497 -10.320 -19.085
33 HD3 PRO 4 3HD PRO 4 12.501 -8.688 -18.357
34 H TRP 5 HN TRP 5 15.226 -11.695 -14.593
35 HA TRP 5 HA TRP 5 13.812 -14.263 -14.651
36 HB2 TRP 5 2HB TRP 5 16.747 -13.584 -14.424
37 HB3 TRP 5 3HB TRP 5 16.098 -15.200 -14.220
38 HD1 TRP 5 1HD TRP 5 17.050 -12.725 -16.936
39 HE1 TRP 5 1HE TRP 5 16.770 -13.747 -19.353
40 HE3 TRP 5 3HE TRP 5 14.539 -16.890 -15.454
41 HZ2 TRP 5 2HZ TRP 5 15.557 -16.129 -20.351
42 HZ3 TRP 5 3HZ TRP 5 13.843 -18.513 -17.213
43 HH2 TRP 5 2HH TRP 5 14.313 -18.186 -19.589
44 H ASN 6 HN ASN 6 16.480 -14.138 -12.502
45 HA ASN 6 HA ASN 6 14.655 -14.226 -10.290
46 HB2 ASN 6 2HB ASN 6 17.641 -14.765 -10.624
47 HB3 ASN 6 3HB ASN 6 16.907 -14.716 -9.034
48 HD21 ASN 6 1HD2 ASN 6 17.036 -16.345 -12.119
49 HD22 ASN 6 2HD2 ASN 6 16.271 -17.827 -11.652
50 H ARG 7 HN ARG 7 14.645 -11.656 -11.342
51 HA ARG 7 HA ARG 7 15.906 -10.208 -9.215
52 HB2 ARG 7 2HB ARG 7 16.831 -10.103 -12.034
53 HB3 ARG 7 3HB ARG 7 16.458 -8.521 -11.381
54 HG2 ARG 7 2HG ARG 7 17.872 -9.287 -9.299
55 HG3 ARG 7 3HG ARG 7 18.478 -10.545 -10.357
56 HD2 ARG 7 2HD ARG 7 19.331 -8.886 -11.953
57 HD3 ARG 7 3HD ARG 7 18.559 -7.577 -11.079
58 HE ARG 7 HE ARG 7 20.337 -7.582 -9.563
59 HH11 ARG 7 2HH2 ARG 7 20.294 -10.655 -11.277
60 HH12 ARG 7 1HH2 ARG 7 21.784 -11.206 -10.588
61 HH21 ARG 7 2HH1 ARG 7 22.303 -8.308 -8.653
62 HH22 ARG 7 1HH1 ARG 7 22.936 -9.861 -9.085
63 H LYS 8 HN LYS 8 13.411 -10.335 -8.892
64 HA LYS 8 HA LYS 8 11.855 -8.713 -10.677
65 HB2 LYS 8 2HB LYS 8 11.385 -10.610 -8.507
66 HB3 LYS 8 3HB LYS 8 10.357 -9.197 -8.373
67 HG2 LYS 8 2HG LYS 8 9.734 -9.492 -10.820
68 HG3 LYS 8 3HG LYS 8 10.655 -10.982 -10.834
69 HD2 LYS 8 2HD LYS 8 8.505 -10.562 -8.735
70 HD3 LYS 8 3HD LYS 8 8.054 -11.055 -10.355
71 HE2 LYS 8 2HE LYS 8 8.497 -13.193 -9.725
72 HE3 LYS 8 3HE LYS 8 10.197 -12.766 -9.731
73 HZ1 LYS 8 3HZ LYS 8 8.712 -13.486 -7.569
74 HZ2 LYS 8 1HZ LYS 8 10.229 -12.880 -7.544
75 HZ3 LYS 8 2HZ LYS 8 8.949 -11.883 -7.368
76 HA HYP 9 HA HYP 9 12.202 -4.772 -9.073
77 HB2 HYP 9 3HB HYP 9 10.209 -3.551 -9.585
78 HB3 HYP 9 2HB HYP 9 9.186 -4.625 -8.624
79 HG HYP 9 2HG HYP 9 8.735 -5.300 -10.858
80 HD22 HYP 9 2HD HYP 9 9.307 -7.268 -9.361
81 HD23 HYP 9 3HD HYP 9 10.270 -7.574 -10.832
82 HD1 HYP 9 1HG HYP 9 10.465 -5.642 -12.364
83 H THR 10 HN THR 10 11.072 -3.044 -7.333
84 HA THR 10 HA THR 10 11.404 -4.304 -4.739
85 HB THR 10 HB THR 10 10.785 -1.390 -5.425
86 HG1 THR 10 1HG THR 10 12.712 -1.734 -6.513
87 HG21 THR 10 3HG2 THR 10 11.803 -2.918 -3.046
88 HG22 THR 10 1HG2 THR 10 12.644 -1.396 -3.424
89 HG23 THR 10 2HG2 THR 10 10.894 -1.388 -3.100
90 H LYS 11 HN LYS 11 9.768 -3.253 -2.998
91 HA LYS 11 HA LYS 11 7.066 -3.429 -4.076
92 HB2 LYS 11 2HB LYS 11 8.185 -5.677 -3.050
93 HB3 LYS 11 3HB LYS 11 7.538 -4.971 -1.583
94 HG2 LYS 11 2HG LYS 11 5.324 -4.642 -2.903
95 HG3 LYS 11 3HG LYS 11 6.018 -5.691 -4.123
96 HD2 LYS 11 2HD LYS 11 6.301 -6.795 -1.396
97 HD3 LYS 11 3HD LYS 11 4.626 -6.521 -1.833
98 HE2 LYS 11 2HE LYS 11 5.438 -7.682 -4.142
99 HE3 LYS 11 3HE LYS 11 6.634 -8.391 -3.074
100 HZ1 LYS 11 3HZ LYS 11 3.784 -8.788 -3.128
101 HZ2 LYS 11 1HZ LYS 11 4.976 -9.839 -2.753
102 HZ3 LYS 11 2HZ LYS 11 4.464 -8.753 -1.645
103 H PHE 12 HN PHE 12 5.570 -2.157 -2.963
104 HA PHE 12 HA PHE 12 6.689 -0.687 -0.681
105 HB2 PHE 12 2HB PHE 12 4.610 0.438 -2.598
106 HB3 PHE 12 3HB PHE 12 5.799 1.318 -1.659
107 HD1 PHE 12 1HD PHE 12 8.222 1.225 -2.384
108 HD2 PHE 12 2HD PHE 12 5.055 -0.195 -4.825
109 HE1 PHE 12 1HE PHE 12 9.715 1.358 -4.397
110 HE2 PHE 12 2HE PHE 12 6.548 -0.062 -6.838
111 HZ PHE 12 HZ PHE 12 8.860 0.713 -6.601
112 HA HYP 13 HA HYP 13 3.227 -1.379 1.762
113 HB2 HYP 13 3HB HYP 13 2.801 0.507 3.173
114 HB3 HYP 13 2HB HYP 13 2.449 1.574 1.808
115 HG HYP 13 2HG HYP 13 4.639 2.229 2.458
116 HD22 HYP 13 2HD HYP 13 4.478 1.771 -0.032
117 HD23 HYP 13 3HD HYP 13 5.981 0.938 0.445
118 HD1 HYP 13 1HG HYP 13 6.273 0.640 2.883
119 H ILE 14 HN ILE 14 1.077 -2.001 1.837
120 HA ILE 14 HA ILE 14 -0.750 -0.574 0.044
121 HB ILE 14 HB ILE 14 -0.409 -3.552 0.347
122 HG12 ILE 14 2HG1 ILE 14 -0.618 -2.052 -2.245
123 HG13 ILE 14 3HG1 ILE 14 0.894 -2.020 -1.359
124 HG21 ILE 14 1HG2 ILE 14 -2.660 -2.212 -1.155
125 HG22 ILE 14 2HG2 ILE 14 -2.446 -3.938 -0.775
126 HG23 ILE 14 3HG2 ILE 14 -2.824 -2.780 0.523
127 HD11 ILE 14 3HD1 ILE 14 -0.370 -4.246 -2.845
128 HD12 ILE 14 1HD1 ILE 14 1.340 -3.984 -2.428
129 HD13 ILE 14 2HD1 ILE 14 0.236 -4.713 -1.237
130 HA HYP 15 HA HYP 15 -2.968 0.467 3.571
131 HB2 HYP 15 3HB HYP 15 -5.087 1.278 2.812
132 HB3 HYP 15 2HB HYP 15 -5.468 -0.224 1.962
133 HG HYP 15 2HG HYP 15 -4.850 1.252 0.205
134 HD22 HYP 15 2HD HYP 15 -3.616 -0.961 0.072
135 HD23 HYP 15 3HD HYP 15 -2.330 0.246 -0.201
136 HD1 HYP 15 1HG HYP 15 -2.949 2.568 0.379
137 H SER 16 HN SER 16 -4.385 -0.234 5.315
138 HA SER 16 HA SER 16 -4.438 -3.011 5.692
139 HB2 SER 16 2HB SER 16 -4.882 -0.656 7.245
140 HB3 SER 16 3HB SER 16 -6.340 -1.617 7.390
141 HG SER 16 HG SER 16 -5.183 -3.331 8.259
142 HA HYP 17 HA HYP 17 -9.236 -2.159 5.127
143 HB2 HYP 17 3HB HYP 17 -10.263 -0.064 4.595
144 HB3 HYP 17 2HB HYP 17 -9.109 0.286 3.304
145 HG HYP 17 2HG HYP 17 -8.373 1.680 5.083
146 HD22 HYP 17 2HD HYP 17 -6.480 0.303 4.103
147 HD23 HYP 17 3HD HYP 17 -6.250 0.127 5.864
148 HD1 HYP 17 1HG HYP 17 -8.178 0.846 7.237
149 H ASN 18 HN ASN 18 -10.580 -3.196 3.649
150 HA ASN 18 HA ASN 18 -10.647 -2.722 1.000
151 HB2 ASN 18 2HB ASN 18 -8.273 -4.173 1.566
152 HB3 ASN 18 3HB ASN 18 -9.382 -5.385 0.956
153 HD21 ASN 18 1HD2 ASN 18 -7.474 -2.611 0.260
154 HD22 ASN 18 2HD2 ASN 18 -7.730 -2.526 -1.451
155 HA HYP 19 HA HYP 19 -12.256 -7.238 2.175
156 HB2 HYP 19 3HB HYP 19 -11.616 -8.512 4.096
157 HB3 HYP 19 2HB HYP 19 -11.815 -7.142 5.194
158 HG HYP 19 2HG HYP 19 -9.457 -7.297 4.940
159 HD22 HYP 19 2HD HYP 19 -10.308 -4.940 4.547
160 HD23 HYP 19 3HD HYP 19 -9.174 -5.201 3.194
161 HD1 HYP 19 1HG HYP 19 -8.506 -7.556 2.841
162 H ARG 20 HN ARG 20 -14.368 -6.785 1.717
163 HA ARG 20 HA ARG 20 -16.450 -6.186 2.043
164 HB2 ARG 20 2HB ARG 20 -16.362 -8.437 3.072
165 HB3 ARG 20 3HB ARG 20 -15.900 -7.748 4.615
166 HG2 ARG 20 2HG ARG 20 -18.052 -7.188 5.143
167 HG3 ARG 20 3HG ARG 20 -18.366 -6.525 3.551
168 HD2 ARG 20 2HD ARG 20 -18.817 -8.747 2.632
169 HD3 ARG 20 3HD ARG 20 -18.261 -9.528 4.099
170 HE ARG 20 HE ARG 20 -20.871 -8.278 3.669
171 HH11 ARG 20 2HH2 ARG 20 -18.515 -9.238 6.102
172 HH12 ARG 20 1HH2 ARG 20 -19.684 -9.341 7.377
173 HH21 ARG 20 2HH1 ARG 20 -22.412 -8.414 5.351
174 HH22 ARG 20 1HH1 ARG 20 -21.915 -8.869 6.947
175 H ASP 21 HN ASP 21 -14.591 -4.113 2.960
176 HA ASP 21 HA ASP 21 -15.141 -3.175 5.471
177 HB2 ASP 21 2HB ASP 21 -13.534 -2.381 3.443
178 HB3 ASP 21 3HB ASP 21 -14.816 -1.210 3.209
179 H LYS 22 HN LYS 22 -16.009 -0.377 4.687
180 HA LYS 22 HA LYS 22 -18.786 -0.735 5.008
181 HB2 LYS 22 2HB LYS 22 -16.888 1.545 4.764
182 HB3 LYS 22 3HB LYS 22 -18.561 1.875 4.359
183 HG2 LYS 22 2HG LYS 22 -19.341 1.213 6.530
184 HG3 LYS 22 3HG LYS 22 -17.841 0.391 6.914
185 HD2 LYS 22 2HD LYS 22 -17.215 3.143 6.287
186 HD3 LYS 22 3HD LYS 22 -18.547 3.138 7.425
187 HE2 LYS 22 2HE LYS 22 -16.265 1.261 7.994
188 HE3 LYS 22 3HE LYS 22 -15.958 2.972 8.214
189 HZ1 LYS 22 3HZ LYS 22 -17.660 3.115 9.775
190 HZ2 LYS 22 1HZ LYS 22 -18.317 1.675 9.370
191 HZ3 LYS 22 2HZ LYS 22 -16.887 1.728 10.158
192 H TRP 23 HN TRP 23 -18.514 -2.338 2.947
193 HA TRP 23 HA TRP 23 -18.810 -0.877 0.469
194 HB2 TRP 23 2HB TRP 23 -18.080 -2.738 -0.462
195 HB3 TRP 23 3HB TRP 23 -17.806 -3.363 1.152
196 HD1 TRP 23 1HD TRP 23 -20.408 -4.473 2.180
197 HE1 TRP 23 1HE TRP 23 -21.923 -6.289 1.009
198 HE3 TRP 23 3HE TRP 23 -18.612 -3.704 -2.515
199 HZ2 TRP 23 2HZ TRP 23 -22.195 -7.180 -1.689
200 HZ3 TRP 23 3HZ TRP 23 -19.557 -5.089 -4.360
201 HH2 TRP 23 2HH TRP 23 -21.288 -6.778 -4.008
202 H CYS 24 HN CYS 24 -20.770 -1.966 -0.950
203 HA CYS 24 HA CYS 24 -22.941 -2.410 -1.158
204 HB2 CYS 24 3HB CYS 24 -24.208 -3.259 0.492
205 HB3 CYS 24 2HB CYS 24 -22.657 -3.402 1.295
206 H ARG 25 HN ARG 25 -25.148 -1.054 0.138
207 HA ARG 25 HA ARG 25 -25.162 1.301 -1.121
208 HB2 ARG 25 2HB ARG 25 -26.961 -0.040 0.396
209 HB3 ARG 25 3HB ARG 25 -26.537 1.196 1.564
210 HG2 ARG 25 2HG ARG 25 -26.871 2.647 -0.819
211 HG3 ARG 25 3HG ARG 25 -28.125 1.427 -0.912
212 HD2 ARG 25 2HD ARG 25 -29.065 3.344 0.247
213 HD3 ARG 25 3HD ARG 25 -28.856 2.070 1.432
214 HE ARG 25 HE ARG 25 -26.461 3.497 1.538
215 HH11 ARG 25 2HH2 ARG 25 -29.864 4.303 1.929
216 HH12 ARG 25 1HH2 ARG 25 -29.561 5.607 3.029
217 HH21 ARG 25 2HH1 ARG 25 -26.060 5.217 2.989
218 HH22 ARG 25 1HH1 ARG 25 -27.382 6.130 3.636
219 H LEU 26 HN LEU 26 -23.168 0.474 1.523
220 HA LEU 26 HA LEU 26 -23.109 2.787 3.042
221 HB2 LEU 26 2HB LEU 26 -21.196 0.569 2.458
222 HB3 LEU 26 3HB LEU 26 -20.612 1.981 3.314
223 HG LEU 26 HG LEU 26 -21.635 1.413 5.233
224 HD11 LEU 26 1HD1 LEU 26 -23.983 0.617 3.521
225 HD12 LEU 26 2HD1 LEU 26 -23.928 0.246 5.261
226 HD13 LEU 26 3HD1 LEU 26 -23.848 1.937 4.708
227 HD21 LEU 26 3HD2 LEU 26 -21.377 -0.798 5.680
228 HD22 LEU 26 1HD2 LEU 26 -22.282 -1.317 4.238
229 HD23 LEU 26 2HD2 LEU 26 -20.599 -0.758 4.079
230 H ASN 27 HN ASN 27 -20.430 3.737 2.927
231 HA ASN 27 HA ASN 27 -20.758 5.675 0.956
232 HB2 ASN 27 2HB ASN 27 -19.435 5.832 3.174
233 HB3 ASN 27 3HB ASN 27 -18.150 4.944 2.380
234 HD21 ASN 27 1HD2 ASN 27 -18.695 7.816 3.391
235 HD22 ASN 27 2HD2 ASN 27 -18.086 8.838 2.132
236 H LEU 28 HN LEU 28 -21.025 3.699 -0.738
237 HA LEU 28 HA LEU 28 -18.378 2.963 -1.760
238 HB2 LEU 28 2HB LEU 28 -20.604 1.426 -1.223
239 HB3 LEU 28 3HB LEU 28 -20.724 1.683 -2.953
240 HG LEU 28 HG LEU 28 -18.680 0.177 -1.382
241 HD11 LEU 28 1HD1 LEU 28 -20.670 -0.773 -2.726
242 HD12 LEU 28 2HD1 LEU 28 -19.680 -0.413 -4.160
243 HD13 LEU 28 3HD1 LEU 28 -19.070 -1.530 -2.915
244 HD21 LEU 28 3HD2 LEU 28 -17.980 2.072 -3.474
245 HD22 LEU 28 1HD2 LEU 28 -16.937 1.127 -2.384
246 HD23 LEU 28 2HD2 LEU 28 -17.522 0.406 -3.903
247 H GLY 29 HN GLY 29 -19.574 2.336 -4.427
248 HA2 GLY 29 2HA GLY 29 -20.793 4.570 -5.578
249 HA3 GLY 29 1HA GLY 29 -19.060 4.809 -5.678
250 HA PRO 30 HA PRO 30 -19.145 2.884 -9.559
251 HB2 PRO 30 2HB PRO 30 -16.509 2.022 -9.741
252 HB3 PRO 30 3HB PRO 30 -17.020 3.714 -9.791
253 HG2 PRO 30 2HG PRO 30 -15.972 2.166 -7.356
254 HG3 PRO 30 3HG PRO 30 -15.435 3.755 -7.944
255 HD2 PRO 30 2HD PRO 30 -17.276 3.525 -5.880
256 HD3 PRO 30 3HD PRO 30 -17.412 4.855 -7.066
257 H ALA 31 HN ALA 31 -20.803 1.018 -8.367
258 HA ALA 31 HA ALA 31 -20.496 -1.279 -9.598
259 HB1 ALA 31 1HB ALA 31 -18.410 -1.983 -8.943
260 HB2 ALA 31 2HB ALA 31 -18.490 -1.129 -7.384
261 HB3 ALA 31 3HB ALA 31 -19.353 -2.671 -7.599
262 H TRP 32 HN TRP 32 -21.274 0.502 -6.695
263 HA TRP 32 HA TRP 32 -23.504 -1.360 -6.237
264 HB2 TRP 32 2HB TRP 32 -21.493 -1.158 -4.499
265 HB3 TRP 32 3HB TRP 32 -22.413 0.238 -3.973
266 HD1 TRP 32 1HD TRP 32 -24.460 -0.270 -2.389
267 HE1 TRP 32 1HE TRP 32 -25.725 -2.389 -1.454
268 HE3 TRP 32 3HE TRP 32 -22.109 -3.641 -5.380
269 HZ2 TRP 32 2HZ TRP 32 -25.603 -5.176 -2.058
270 HZ3 TRP 32 3HZ TRP 32 -22.740 -6.042 -5.145
271 HH2 TRP 32 2HH TRP 32 -24.422 -6.827 -3.554
272 H GLY 33 HN GLY 33 -24.380 0.671 -4.099
273 HA2 GLY 33 2HA GLY 33 -25.173 2.872 -4.041
274 HA3 GLY 33 1HA GLY 33 -25.027 2.986 -5.783
275 H GLY 34 HN GLY 34 -27.294 3.015 -3.456
276 HA2 GLY 34 2HA GLY 34 -29.576 3.029 -4.443
277 HA3 GLY 34 1HA GLY 34 -29.231 1.409 -5.014
278 H ARG 35 HN ARG 35 -28.785 -0.321 -3.387
279 HA ARG 35 HA ARG 35 -29.825 0.385 -0.771
280 HB2 ARG 35 2HB ARG 35 -31.173 -1.223 -2.729
281 HB3 ARG 35 3HB ARG 35 -30.619 -2.325 -1.484
282 HG2 ARG 35 2HG ARG 35 -31.818 -1.171 0.241
283 HG3 ARG 35 3HG ARG 35 -32.034 0.262 -0.744
284 HD2 ARG 35 2HD ARG 35 -33.945 -0.557 -1.678
285 HD3 ARG 35 3HD ARG 35 -33.182 -2.082 -2.079
286 HE ARG 35 HE ARG 35 -33.544 -2.267 0.661
287 HH11 ARG 35 2HH2 ARG 35 -35.687 -1.557 -2.038
288 HH12 ARG 35 1HH2 ARG 35 -37.089 -2.214 -1.264
289 HH21 ARG 35 2HH1 ARG 35 -35.394 -3.135 1.683
290 HH22 ARG 35 1HH1 ARG 35 -36.922 -3.118 0.867
291 H CYS 36 HN CYS 36 -29.316 -1.428 0.891
292 HA CYS 36 HA CYS 36 -26.673 -2.483 0.238
293 HB2 CYS 36 3HB CYS 36 -26.957 -0.915 2.184
294 HB3 CYS 36 2HB CYS 36 -27.926 -2.147 2.968
Start of MODEL 20
1 H1 TRP 1 HN TRP 1 32.369 2.589 0.894
2 HA TRP 1 HA TRP 1 33.537 4.548 -0.331
3 HB2 TRP 1 2HB TRP 1 32.946 2.963 -2.460
4 HB3 TRP 1 3HB TRP 1 31.571 4.050 -2.475
5 HD1 TRP 1 1HD TRP 1 32.522 6.856 -2.206
6 HE1 TRP 1 1HE TRP 1 34.375 8.073 -3.637
7 HE3 TRP 1 3HE TRP 1 34.857 2.613 -3.755
8 HZ2 TRP 1 2HZ TRP 1 36.560 7.146 -5.221
9 HZ3 TRP 1 3HZ TRP 1 36.843 2.858 -5.242
10 HH2 TRP 1 2HH TRP 1 37.699 5.026 -5.975
11 H GLU 2 HN GLU 2 32.280 6.546 -0.234
12 HA GLU 2 HA GLU 2 29.809 6.107 1.212
13 HB2 GLU 2 2HB GLU 2 30.087 8.415 2.012
14 HB3 GLU 2 3HB GLU 2 31.556 7.501 2.290
15 HG2 GLU 2 2HG GLU 2 32.545 8.458 0.196
16 HG3 GLU 2 3HG GLU 2 31.077 9.377 -0.074
17 H TRP 3 HN TRP 3 27.806 6.854 0.481
18 HA TRP 3 HA TRP 3 27.743 8.612 -1.821
19 HB2 TRP 3 2HB TRP 3 26.527 7.182 -3.245
20 HB3 TRP 3 3HB TRP 3 27.968 6.314 -2.754
21 HD1 TRP 3 1HD TRP 3 24.308 5.816 -2.995
22 HE1 TRP 3 1HE TRP 3 23.455 3.648 -1.756
23 HE3 TRP 3 3HE TRP 3 28.586 4.998 -0.370
24 HZ2 TRP 3 2HZ TRP 3 24.639 1.874 0.139
25 HZ3 TRP 3 3HZ TRP 3 28.655 3.026 1.153
26 HH2 TRP 3 2HH TRP 3 26.773 1.491 1.430
27 HA PRO 4 HA PRO 4 24.726 8.637 1.848
28 HB2 PRO 4 2HB PRO 4 25.290 11.202 2.764
29 HB3 PRO 4 3HB PRO 4 26.230 9.757 3.168
30 HG2 PRO 4 2HG PRO 4 26.856 11.826 0.988
31 HG3 PRO 4 3HG PRO 4 27.956 11.197 2.234
32 HD2 PRO 4 2HD PRO 4 27.942 10.157 -0.339
33 HD3 PRO 4 3HD PRO 4 28.231 9.089 1.064
34 H TRP 5 HN TRP 5 23.042 8.568 -0.235
35 HA TRP 5 HA TRP 5 21.267 10.680 0.188
36 HB2 TRP 5 2HB TRP 5 21.376 11.930 -1.831
37 HB3 TRP 5 3HB TRP 5 22.948 11.988 -1.057
38 HD1 TRP 5 1HD TRP 5 21.228 10.475 -4.164
39 HE1 TRP 5 1HE TRP 5 23.004 9.728 -5.967
40 HE3 TRP 5 3HE TRP 5 25.310 11.265 -1.237
41 HZ2 TRP 5 2HZ TRP 5 25.852 9.556 -5.967
42 HZ3 TRP 5 3HZ TRP 5 27.551 10.783 -2.215
43 HH2 TRP 5 2HH TRP 5 27.860 9.957 -4.495
44 H ASN 6 HN ASN 6 21.300 7.823 0.235
45 HA ASN 6 HA ASN 6 19.065 7.313 -1.315
46 HB2 ASN 6 2HB ASN 6 21.091 7.224 -3.039
47 HB3 ASN 6 3HB ASN 6 21.435 5.675 -2.295
48 HD21 ASN 6 1HD2 ASN 6 19.919 3.994 -2.396
49 HD22 ASN 6 2HD2 ASN 6 18.680 3.934 -3.604
50 H ARG 7 HN ARG 7 19.459 6.986 1.350
51 HA ARG 7 HA ARG 7 19.611 4.112 1.597
52 HB2 ARG 7 2HB ARG 7 21.356 6.124 3.002
53 HB3 ARG 7 3HB ARG 7 20.768 4.788 3.971
54 HG2 ARG 7 2HG ARG 7 21.595 3.523 1.613
55 HG3 ARG 7 3HG ARG 7 22.786 4.793 1.809
56 HD2 ARG 7 2HD ARG 7 22.322 3.601 4.404
57 HD3 ARG 7 3HD ARG 7 22.584 2.306 3.254
58 HE ARG 7 HE ARG 7 24.809 3.011 2.974
59 HH11 ARG 7 2HH2 ARG 7 22.981 5.500 4.662
60 HH12 ARG 7 1HH2 ARG 7 24.380 6.442 5.053
61 HH21 ARG 7 2HH1 ARG 7 26.656 4.254 3.491
62 HH22 ARG 7 1HH1 ARG 7 26.485 5.729 4.383
63 H LYS 8 HN LYS 8 17.192 5.127 1.456
64 HA LYS 8 HA LYS 8 16.338 5.414 4.245
65 HB2 LYS 8 2HB LYS 8 16.243 7.458 2.324
66 HB3 LYS 8 3HB LYS 8 14.606 6.838 2.397
67 HG2 LYS 8 2HG LYS 8 15.111 6.913 5.058
68 HG3 LYS 8 3HG LYS 8 16.240 8.155 4.554
69 HD2 LYS 8 2HD LYS 8 14.316 9.258 3.272
70 HD3 LYS 8 3HD LYS 8 13.235 8.098 4.018
71 HE2 LYS 8 2HE LYS 8 15.084 9.862 5.679
72 HE3 LYS 8 3HE LYS 8 13.492 10.402 5.187
73 HZ1 LYS 8 3HZ LYS 8 13.850 7.833 6.538
74 HZ2 LYS 8 1HZ LYS 8 13.710 9.221 7.388
75 HZ3 LYS 8 2HZ LYS 8 12.494 8.734 6.412
76 HA HYP 9 HA HYP 9 14.639 1.683 2.292
77 HB2 HYP 9 3HB HYP 9 15.047 -0.042 3.899
78 HB3 HYP 9 2HB HYP 9 14.428 0.926 5.241
79 HG HYP 9 2HG HYP 9 16.784 1.044 5.528
80 HD22 HYP 9 2HD HYP 9 15.698 3.337 5.584
81 HD23 HYP 9 3HD HYP 9 17.113 3.575 4.523
82 HD1 HYP 9 1HG HYP 9 18.175 1.488 3.728
83 H THR 10 HN THR 10 12.578 1.185 1.716
84 HA THR 10 HA THR 10 10.448 1.948 3.605
85 HB THR 10 HB THR 10 10.217 1.577 0.580
86 HG1 THR 10 1HG THR 10 10.727 3.893 2.313
87 HG21 THR 10 3HG2 THR 10 8.503 2.702 2.807
88 HG22 THR 10 1HG2 THR 10 8.432 3.480 1.207
89 HG23 THR 10 2HG2 THR 10 8.010 1.759 1.380
90 H LYS 11 HN LYS 11 8.352 0.517 2.965
91 HA LYS 11 HA LYS 11 9.232 -2.246 2.648
92 HB2 LYS 11 2HB LYS 11 9.210 -1.706 5.087
93 HB3 LYS 11 3HB LYS 11 7.507 -1.315 4.961
94 HG2 LYS 11 2HG LYS 11 7.776 -3.848 3.701
95 HG3 LYS 11 3HG LYS 11 8.786 -3.941 5.130
96 HD2 LYS 11 2HD LYS 11 6.932 -3.330 6.586
97 HD3 LYS 11 3HD LYS 11 5.919 -2.903 5.221
98 HE2 LYS 11 2HE LYS 11 5.621 -5.174 4.563
99 HE3 LYS 11 3HE LYS 11 7.029 -5.719 5.453
100 HZ1 LYS 11 3HZ LYS 11 4.675 -4.585 6.785
101 HZ2 LYS 11 1HZ LYS 11 4.835 -6.182 6.491
102 HZ3 LYS 11 2HZ LYS 11 5.900 -5.422 7.468
103 H PHE 12 HN PHE 12 8.303 -1.682 0.477
104 HA PHE 12 HA PHE 12 6.651 -1.579 -0.998
105 HB2 PHE 12 2HB PHE 12 4.936 -3.260 0.850
106 HB3 PHE 12 3HB PHE 12 5.301 -3.535 -0.841
107 HD1 PHE 12 2HD PHE 12 7.969 -3.949 -1.229
108 HD2 PHE 12 1HD PHE 12 5.805 -4.792 2.322
109 HE1 PHE 12 2HE PHE 12 9.700 -5.646 -0.578
110 HE2 PHE 12 1HE PHE 12 7.536 -6.489 2.973
111 HZ PHE 12 HZ PHE 12 9.462 -6.897 1.515
112 HA HYP 13 HA HYP 13 3.305 1.058 -0.342
113 HB2 HYP 13 3HB HYP 13 1.544 0.623 -1.902
114 HB3 HYP 13 2HB HYP 13 1.213 -0.978 -1.232
115 HG HYP 13 2HG HYP 13 2.409 -1.462 -3.228
116 HD22 HYP 13 2HD HYP 13 3.374 -2.673 -1.219
117 HD23 HYP 13 3HD HYP 13 4.817 -2.025 -2.043
118 HD1 HYP 13 1HG HYP 13 4.347 -0.306 -3.756
119 H ILE 14 HN ILE 14 1.163 1.728 0.652
120 HA ILE 14 HA ILE 14 0.751 0.356 3.153
121 HB ILE 14 HB ILE 14 0.823 2.804 2.995
122 HG12 ILE 14 2HG1 ILE 14 -1.908 1.827 3.871
123 HG13 ILE 14 3HG1 ILE 14 -0.438 1.553 4.786
124 HG21 ILE 14 1HG2 ILE 14 -0.707 2.510 0.725
125 HG22 ILE 14 2HG2 ILE 14 -1.882 3.116 1.916
126 HG23 ILE 14 3HG2 ILE 14 -0.395 4.037 1.586
127 HD11 ILE 14 3HD1 ILE 14 -0.432 4.325 4.115
128 HD12 ILE 14 1HD1 ILE 14 -2.079 3.939 4.668
129 HD13 ILE 14 2HD1 ILE 14 -0.685 3.597 5.720
130 HA HYP 15 HA HYP 15 -2.042 -2.662 1.908
131 HB2 HYP 15 3HB HYP 15 -3.032 -3.514 3.914
132 HB3 HYP 15 2HB HYP 15 -3.632 -1.926 4.409
133 HG HYP 15 2HG HYP 15 -1.741 -2.254 5.812
134 HD22 HYP 15 2HD HYP 15 -1.687 -0.002 4.646
135 HD23 HYP 15 3HD HYP 15 -0.024 -0.613 4.441
136 HD1 HYP 15 1HG HYP 15 0.264 -3.020 4.935
137 H SER 16 HN SER 16 -4.580 -3.192 1.859
138 HA SER 16 HA SER 16 -6.094 -0.750 1.522
139 HB2 SER 16 2HB SER 16 -5.261 -1.499 -0.749
140 HB3 SER 16 3HB SER 16 -6.132 -3.004 -0.534
141 HG SER 16 HG SER 16 -7.685 -0.698 -0.088
142 HA HYP 17 HA HYP 17 -7.970 -3.904 4.265
143 HB2 HYP 17 3HB HYP 17 -8.463 -2.709 6.278
144 HB3 HYP 17 2HB HYP 17 -9.209 -1.361 5.413
145 HG HYP 17 2HG HYP 17 -7.082 -0.499 6.028
146 HD22 HYP 17 2HD HYP 17 -7.576 -0.155 3.564
147 HD23 HYP 17 3HD HYP 17 -5.896 -0.757 3.568
148 HD1 HYP 17 1HG HYP 17 -5.159 -1.754 5.707
149 H ASN 18 HN ASN 18 -10.379 -4.083 5.253
150 HA ASN 18 HA ASN 18 -12.312 -2.792 3.586
151 HB2 ASN 18 2HB ASN 18 -11.511 -5.531 3.083
152 HB3 ASN 18 3HB ASN 18 -13.135 -5.565 3.738
153 HD21 ASN 18 1HD2 ASN 18 -14.446 -5.853 2.094
154 HD22 ASN 18 2HD2 ASN 18 -14.499 -4.929 0.630
155 HA HYP 19 HA HYP 19 -14.767 -3.041 7.183
156 HB2 HYP 19 3HB HYP 19 -17.053 -2.688 6.571
157 HB3 HYP 19 2HB HYP 19 -17.128 -4.172 5.614
158 HG HYP 19 2HG HYP 19 -16.957 -2.469 3.963
159 HD22 HYP 19 2HD HYP 19 -15.262 -4.324 3.605
160 HD23 HYP 19 3HD HYP 19 -14.301 -2.838 3.386
161 HD1 HYP 19 1HG HYP 19 -15.398 -0.767 4.177
162 H ARG 20 HN ARG 20 -13.655 -5.889 6.224
163 HA ARG 20 HA ARG 20 -15.233 -7.337 8.187
164 HB2 ARG 20 2HB ARG 20 -13.499 -9.217 7.174
165 HB3 ARG 20 3HB ARG 20 -15.091 -8.906 6.511
166 HG2 ARG 20 2HG ARG 20 -14.184 -7.389 4.829
167 HG3 ARG 20 3HG ARG 20 -12.603 -7.403 5.586
168 HD2 ARG 20 2HD ARG 20 -13.199 -10.138 5.118
169 HD3 ARG 20 3HD ARG 20 -13.752 -9.309 3.677
170 HE ARG 20 HE ARG 20 -11.218 -8.220 4.260
171 HH11 ARG 20 2HH2 ARG 20 -12.541 -11.379 3.454
172 HH12 ARG 20 1HH2 ARG 20 -11.089 -11.935 2.693
173 HH21 ARG 20 2HH1 ARG 20 -9.301 -8.953 3.256
174 HH22 ARG 20 1HH1 ARG 20 -9.232 -10.546 2.579
175 H ASP 21 HN ASP 21 -13.216 -5.187 8.774
176 HA ASP 21 HA ASP 21 -10.915 -6.594 9.697
177 HB2 ASP 21 2HB ASP 21 -11.837 -3.730 10.229
178 HB3 ASP 21 3HB ASP 21 -10.240 -4.359 10.581
179 H LYS 22 HN LYS 22 -11.548 -8.023 11.397
180 HA LYS 22 HA LYS 22 -12.423 -8.707 13.322
181 HB2 LYS 22 2HB LYS 22 -10.845 -6.272 13.859
182 HB3 LYS 22 3HB LYS 22 -11.945 -6.715 15.149
183 HG2 LYS 22 2HG LYS 22 -10.640 -8.471 15.759
184 HG3 LYS 22 3HG LYS 22 -10.638 -9.111 14.128
185 HD2 LYS 22 2HD LYS 22 -8.337 -8.633 14.690
186 HD3 LYS 22 3HD LYS 22 -8.836 -7.415 13.533
187 HE2 LYS 22 2HE LYS 22 -9.491 -6.460 16.186
188 HE3 LYS 22 3HE LYS 22 -7.831 -7.020 16.201
189 HZ1 LYS 22 3HZ LYS 22 -7.861 -4.785 15.501
190 HZ2 LYS 22 1HZ LYS 22 -7.496 -5.673 14.179
191 HZ3 LYS 22 2HZ LYS 22 -8.998 -5.055 14.359
192 H TRP 23 HN TRP 23 -14.224 -7.182 11.444
193 HA TRP 23 HA TRP 23 -15.916 -5.479 12.808
194 HB2 TRP 23 2HB TRP 23 -16.890 -5.409 10.834
195 HB3 TRP 23 3HB TRP 23 -15.773 -6.641 10.282
196 HD1 TRP 23 1HD TRP 23 -16.804 -9.327 11.022
197 HE1 TRP 23 1HE TRP 23 -19.206 -10.318 10.561
198 HE3 TRP 23 3HE TRP 23 -19.127 -4.837 10.474
199 HZ2 TRP 23 2HZ TRP 23 -21.750 -9.140 10.031
200 HZ3 TRP 23 3HZ TRP 23 -21.571 -4.846 9.987
201 HH2 TRP 23 2HH TRP 23 -22.877 -6.900 9.764
202 H CYS 24 HN CYS 24 -18.495 -6.546 12.807
203 HA CYS 24 HA CYS 24 -19.847 -7.500 14.272
204 HB2 CYS 24 3HB CYS 24 -19.766 -9.973 14.330
205 HB3 CYS 24 2HB CYS 24 -19.730 -9.290 12.718
206 H ARG 25 HN ARG 25 -18.779 -6.156 16.025
207 HA ARG 25 HA ARG 25 -17.119 -7.802 17.745
208 HB2 ARG 25 2HB ARG 25 -16.649 -5.260 16.903
209 HB3 ARG 25 3HB ARG 25 -17.594 -4.884 18.329
210 HG2 ARG 25 2HG ARG 25 -16.018 -5.820 19.802
211 HG3 ARG 25 3HG ARG 25 -15.374 -6.913 18.593
212 HD2 ARG 25 2HD ARG 25 -14.592 -4.700 17.366
213 HD3 ARG 25 3HD ARG 25 -14.829 -3.947 18.931
214 HE ARG 25 HE ARG 25 -13.326 -6.214 19.514
215 HH11 ARG 25 2HH2 ARG 25 -12.923 -3.472 17.347
216 HH12 ARG 25 1HH2 ARG 25 -11.193 -3.510 17.416
217 HH21 ARG 25 2HH1 ARG 25 -11.044 -6.264 19.607
218 HH22 ARG 25 1HH1 ARG 25 -10.117 -5.108 18.710
219 H LEU 26 HN LEU 26 -20.284 -6.394 17.338
220 HA LEU 26 HA LEU 26 -20.867 -6.744 20.188
221 HB2 LEU 26 2HB LEU 26 -22.468 -5.315 18.062
222 HB3 LEU 26 3HB LEU 26 -22.836 -5.386 19.774
223 HG LEU 26 HG LEU 26 -20.202 -4.367 19.583
224 HD11 LEU 26 1HD1 LEU 26 -21.112 -2.215 18.216
225 HD12 LEU 26 2HD1 LEU 26 -20.141 -3.522 17.496
226 HD13 LEU 26 3HD1 LEU 26 -21.912 -3.529 17.320
227 HD21 LEU 26 3HD2 LEU 26 -22.362 -3.905 21.092
228 HD22 LEU 26 1HD2 LEU 26 -21.007 -2.759 20.965
229 HD23 LEU 26 2HD2 LEU 26 -22.482 -2.503 20.002
230 H ASN 27 HN ASN 27 -23.643 -7.176 20.002
231 HA ASN 27 HA ASN 27 -23.590 -9.928 19.371
232 HB2 ASN 27 2HB ASN 27 -25.567 -7.969 20.531
233 HB3 ASN 27 3HB ASN 27 -26.233 -9.439 19.847
234 HD21 ASN 27 1HD2 ASN 27 -26.358 -8.734 22.549
235 HD22 ASN 27 2HD2 ASN 27 -25.465 -9.879 23.494
236 H LEU 28 HN LEU 28 -23.056 -9.503 16.968
237 HA LEU 28 HA LEU 28 -24.757 -8.165 15.256
238 HB2 LEU 28 2HB LEU 28 -22.393 -9.451 15.045
239 HB3 LEU 28 3HB LEU 28 -23.435 -10.620 14.261
240 HG LEU 28 HG LEU 28 -24.220 -8.249 13.078
241 HD11 LEU 28 1HD1 LEU 28 -21.311 -7.993 12.737
242 HD12 LEU 28 2HD1 LEU 28 -22.571 -6.745 12.891
243 HD13 LEU 28 3HD1 LEU 28 -21.908 -7.525 14.348
244 HD21 LEU 28 3HD2 LEU 28 -23.594 -10.615 12.177
245 HD22 LEU 28 1HD2 LEU 28 -23.451 -9.192 11.116
246 HD23 LEU 28 2HD2 LEU 28 -21.999 -9.879 11.884
247 H GLY 29 HN GLY 29 -25.679 -9.869 13.280
248 HA2 GLY 29 2HA GLY 29 -27.513 -11.722 14.646
249 HA3 GLY 29 1HA GLY 29 -28.161 -10.442 13.641
250 HA PRO 30 HA PRO 30 -28.112 -14.129 11.007
251 HB2 PRO 30 2HB PRO 30 -29.621 -13.003 8.961
252 HB3 PRO 30 3HB PRO 30 -30.276 -13.559 10.507
253 HG2 PRO 30 2HG PRO 30 -29.519 -10.684 9.743
254 HG3 PRO 30 3HG PRO 30 -31.036 -11.247 10.478
255 HD2 PRO 30 2HD PRO 30 -28.993 -10.174 12.022
256 HD3 PRO 30 3HD PRO 30 -29.994 -11.513 12.654
257 H ALA 31 HN ALA 31 -25.906 -11.489 10.563
258 HA ALA 31 HA ALA 31 -24.959 -12.870 8.156
259 HB1 ALA 31 1HB ALA 31 -24.709 -10.911 6.959
260 HB2 ALA 31 2HB ALA 31 -26.158 -10.496 7.906
261 HB3 ALA 31 3HB ALA 31 -24.560 -9.908 8.421
262 H TRP 32 HN TRP 32 -23.740 -14.022 9.932
263 HA TRP 32 HA TRP 32 -21.584 -12.351 11.006
264 HB2 TRP 32 2HB TRP 32 -23.212 -14.391 12.134
265 HB3 TRP 32 3HB TRP 32 -21.575 -15.011 12.051
266 HD1 TRP 32 1HD TRP 32 -19.688 -12.932 13.059
267 HE1 TRP 32 1HE TRP 32 -19.810 -11.633 15.353
268 HE3 TRP 32 3HE TRP 32 -24.661 -13.671 13.815
269 HZ2 TRP 32 2HZ TRP 32 -21.925 -11.072 17.185
270 HZ3 TRP 32 3HZ TRP 32 -25.676 -12.715 15.881
271 HH2 TRP 32 2HH TRP 32 -24.393 -11.453 17.534
272 H GLY 33 HN GLY 33 -19.871 -14.738 11.429
273 HA2 GLY 33 2HA GLY 33 -19.309 -15.578 8.664
274 HA3 GLY 33 1HA GLY 33 -18.059 -14.785 9.602
275 H GLY 34 HN GLY 34 -16.597 -16.305 10.260
276 HA2 GLY 34 2HA GLY 34 -17.654 -18.894 11.211
277 HA3 GLY 34 1HA GLY 34 -16.064 -18.624 10.525
278 H ARG 35 HN ARG 35 -14.399 -17.568 11.778
279 HA ARG 35 HA ARG 35 -14.930 -17.832 14.600
280 HB2 ARG 35 2HB ARG 35 -12.399 -17.599 14.781
281 HB3 ARG 35 3HB ARG 35 -12.929 -18.973 13.832
282 HG2 ARG 35 2HG ARG 35 -12.628 -16.528 12.200
283 HG3 ARG 35 3HG ARG 35 -11.135 -16.987 12.995
284 HD2 ARG 35 2HD ARG 35 -11.717 -19.422 12.122
285 HD3 ARG 35 3HD ARG 35 -12.784 -18.585 11.011
286 HE ARG 35 HE ARG 35 -10.450 -17.179 10.698
287 HH11 ARG 35 2HH2 ARG 35 -11.149 -20.629 10.668
288 HH12 ARG 35 1HH2 ARG 35 -9.857 -21.011 9.579
289 HH21 ARG 35 2HH1 ARG 35 -8.747 -17.683 9.261
290 HH22 ARG 35 1HH1 ARG 35 -8.481 -19.324 8.773
291 H CYS 36 HN CYS 36 -16.271 -15.796 14.608
292 HA CYS 36 HA CYS 36 -14.610 -13.400 14.383
293 HB2 CYS 36 3HB CYS 36 -16.371 -13.009 12.973
294 HB3 CYS 36 2HB CYS 36 -17.506 -13.941 13.930
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