Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505606 | 2yte RC | 10308 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -8.774 -13.953 11.422
2 HA2 GLY 1 1HA GLY 1 -9.504 -11.543 10.144
3 HA3 GLY 1 2HA GLY 1 -9.411 -11.795 11.881
4 H SER 2 H SER 2 -7.416 -11.133 9.025
5 HA SER 2 HA SER 2 -5.832 -9.277 10.622
6 HB2 SER 2 1HB SER 2 -4.782 -11.768 9.343
7 HB3 SER 2 2HB SER 2 -3.761 -10.330 9.358
8 HG SER 2 HG SER 2 -3.343 -10.763 11.358
9 H SER 3 H SER 3 -4.242 -8.077 9.157
10 HA SER 3 HA SER 3 -5.546 -7.575 6.561
11 HB2 SER 3 1HB SER 3 -4.113 -5.631 8.386
12 HB3 SER 3 2HB SER 3 -4.713 -5.237 6.775
13 HG SER 3 HG SER 3 -6.056 -4.948 8.903
14 H GLY 4 H GLY 4 -4.183 -9.122 5.534
15 HA2 GLY 4 1HA GLY 4 -1.940 -8.084 4.269
16 HA3 GLY 4 2HA GLY 4 -1.349 -8.996 5.650
17 H SER 5 H SER 5 -1.668 -9.249 2.489
18 HA SER 5 HA SER 5 -1.983 -10.926 0.966
19 HB2 SER 5 1HB SER 5 0.006 -11.636 2.533
20 HB3 SER 5 2HB SER 5 -1.119 -12.887 3.061
21 HG SER 5 HG SER 5 -0.062 -12.437 0.480
22 H SER 6 H SER 6 -4.358 -10.286 2.195
23 HA SER 6 HA SER 6 -5.704 -12.895 2.215
24 HB2 SER 6 1HB SER 6 -5.490 -12.196 4.557
25 HB3 SER 6 2HB SER 6 -6.247 -10.650 4.174
26 HG SER 6 HG SER 6 -7.988 -12.236 3.313
27 H GLY 7 H GLY 7 -6.851 -12.820 0.384
28 HA2 GLY 7 1HA GLY 7 -8.832 -12.190 -0.745
29 HA3 GLY 7 2HA GLY 7 -8.774 -10.635 0.073
30 H GLU 8 H GLU 8 -9.311 -10.601 -2.552
31 HA GLU 8 HA GLU 8 -6.768 -9.869 -3.844
32 HB2 GLU 8 1HB GLU 8 -8.260 -11.679 -4.875
33 HB3 GLU 8 2HB GLU 8 -9.369 -10.375 -5.275
34 HG2 GLU 8 1HG GLU 8 -7.601 -9.282 -6.573
35 HG3 GLU 8 2HG GLU 8 -6.513 -10.617 -6.194
36 H LYS 9 H LYS 9 -6.407 -7.806 -4.351
37 HA LYS 9 HA LYS 9 -8.690 -5.944 -4.339
38 HB2 LYS 9 1HB LYS 9 -5.965 -5.634 -3.097
39 HB3 LYS 9 2HB LYS 9 -6.964 -4.241 -3.489
40 HG2 LYS 9 1HG LYS 9 -7.495 -4.590 -1.285
41 HG3 LYS 9 2HG LYS 9 -8.776 -5.489 -2.101
42 HD2 LYS 9 1HD LYS 9 -7.404 -7.552 -1.843
43 HD3 LYS 9 2HD LYS 9 -6.252 -6.614 -0.889
44 HE2 LYS 9 1HE LYS 9 -9.131 -6.580 -0.120
45 HE3 LYS 9 2HE LYS 9 -8.164 -8.003 0.266
46 HZ1 LYS 9 3HZ LYS 9 -8.297 -6.163 1.996
47 HZ2 LYS 9 1HZ LYS 9 -7.260 -5.284 0.989
48 HZ3 LYS 9 2HZ LYS 9 -6.760 -6.767 1.630
49 HA PRO 10 HA PRO 10 -7.336 -4.730 -8.348
50 HB2 PRO 10 1HB PRO 10 -8.459 -2.261 -8.456
51 HB3 PRO 10 2HB PRO 10 -9.401 -3.751 -8.585
52 HG2 PRO 10 1HG PRO 10 -8.979 -1.977 -6.211
53 HG3 PRO 10 2HG PRO 10 -10.470 -2.752 -6.778
54 HD2 PRO 10 1HD PRO 10 -8.999 -3.745 -4.733
55 HD3 PRO 10 2HD PRO 10 -9.920 -4.784 -5.840
56 H TYR 11 H TYR 11 -6.154 -3.443 -5.518
57 HA TYR 11 HA TYR 11 -4.215 -1.786 -6.989
58 HB2 TYR 11 1HB TYR 11 -5.251 -1.211 -4.207
59 HB3 TYR 11 2HB TYR 11 -4.126 -0.226 -5.135
60 HD1 TYR 11 HD1 TYR 11 -4.971 0.831 -7.298
61 HD2 TYR 11 HD2 TYR 11 -7.564 -0.873 -4.386
62 HE1 TYR 11 HE1 TYR 11 -6.854 2.103 -8.239
63 HE2 TYR 11 HE2 TYR 11 -9.454 0.393 -5.320
64 HH TYR 11 HH TYR 11 -10.061 1.441 -7.521
65 H SER 12 H SER 12 -2.347 -2.841 -6.959
66 HA SER 12 HA SER 12 -1.471 -4.056 -4.422
67 HB2 SER 12 1HB SER 12 -0.259 -5.762 -5.794
68 HB3 SER 12 2HB SER 12 -2.014 -5.859 -5.940
69 HG SER 12 HG SER 12 -0.990 -5.979 -7.977
70 H CYS 13 H CYS 13 0.811 -4.070 -4.048
71 HA CYS 13 HA CYS 13 2.197 -1.893 -5.465
72 HB2 CYS 13 1HB CYS 13 1.757 -1.595 -3.010
73 HB3 CYS 13 2HB CYS 13 2.808 -2.975 -2.709
74 H ALA 14 H ALA 14 3.778 -2.473 -6.784
75 HA ALA 14 HA ALA 14 4.878 -5.156 -6.660
76 HB1 ALA 14 3HB ALA 14 4.557 -3.126 -8.685
77 HB2 ALA 14 1HB ALA 14 6.205 -3.756 -8.669
78 HB3 ALA 14 2HB ALA 14 4.841 -4.858 -8.862
79 H GLU 15 H GLU 15 5.522 -3.263 -4.524
80 HA GLU 15 HA GLU 15 8.448 -3.214 -4.860
81 HB2 GLU 15 1HB GLU 15 7.620 -0.931 -4.923
82 HB3 GLU 15 2HB GLU 15 6.718 -1.186 -3.436
83 HG2 GLU 15 1HG GLU 15 8.581 -1.081 -2.119
84 HG3 GLU 15 2HG GLU 15 9.657 -1.623 -3.406
85 H CYS 16 H CYS 16 5.884 -3.079 -2.385
86 HA CYS 16 HA CYS 16 7.612 -4.681 -0.623
87 HB2 CYS 16 1HB CYS 16 6.265 -3.830 1.236
88 HB3 CYS 16 2HB CYS 16 6.940 -2.503 0.296
89 H LYS 17 H LYS 17 4.983 -4.918 -2.651
90 HA LYS 17 HA LYS 17 3.528 -6.615 -3.092
91 HB2 LYS 17 1HB LYS 17 4.672 -8.171 -0.786
92 HB3 LYS 17 2HB LYS 17 3.945 -8.782 -2.267
93 HG2 LYS 17 1HG LYS 17 6.460 -7.177 -2.392
94 HG3 LYS 17 2HG LYS 17 6.514 -8.886 -1.953
95 HD2 LYS 17 1HD LYS 17 6.743 -9.073 -4.217
96 HD3 LYS 17 2HD LYS 17 4.982 -9.110 -4.102
97 HE2 LYS 17 1HE LYS 17 5.477 -7.579 -5.825
98 HE3 LYS 17 2HE LYS 17 5.050 -6.597 -4.425
99 HZ1 LYS 17 3HZ LYS 17 7.207 -6.152 -5.876
100 HZ2 LYS 17 1HZ LYS 17 7.871 -7.241 -4.764
101 HZ3 LYS 17 2HZ LYS 17 7.145 -5.814 -4.220
102 H GLU 18 H GLU 18 2.512 -4.572 -1.697
103 HA GLU 18 HA GLU 18 0.886 -5.830 0.413
104 HB2 GLU 18 1HB GLU 18 2.407 -3.830 0.980
105 HB3 GLU 18 2HB GLU 18 1.247 -2.862 0.081
106 HG2 GLU 18 1HG GLU 18 -0.528 -3.797 1.612
107 HG3 GLU 18 2HG GLU 18 0.788 -4.437 2.595
108 H THR 19 H THR 19 -1.335 -5.541 0.404
109 HA THR 19 HA THR 19 -2.443 -4.642 -2.166
110 HB THR 19 HB THR 19 -4.447 -5.978 -1.562
111 HG1 THR 19 HG1 THR 19 -2.828 -6.749 0.656
112 HG21 THR 19 3HG2 THR 19 -3.532 -7.745 -2.587
113 HG22 THR 19 1HG2 THR 19 -2.424 -8.044 -1.249
114 HG23 THR 19 2HG2 THR 19 -2.001 -6.874 -2.499
115 H PHE 20 H PHE 20 -4.318 -3.349 -2.221
116 HA PHE 20 HA PHE 20 -5.162 -2.122 0.298
117 HB2 PHE 20 1HB PHE 20 -4.451 -0.466 -2.127
118 HB3 PHE 20 2HB PHE 20 -4.913 0.119 -0.532
119 HD1 PHE 20 HD2 PHE 20 -2.282 -1.793 -2.320
120 HD2 PHE 20 HD1 PHE 20 -3.295 0.564 1.076
121 HE1 PHE 20 HE2 PHE 20 0.089 -1.723 -1.666
122 HE2 PHE 20 HE1 PHE 20 -0.926 0.639 1.735
123 HZ PHE 20 HZ PHE 20 0.769 -0.507 0.365
124 H SER 21 H SER 21 -7.253 -2.645 0.341
125 HA SER 21 HA SER 21 -8.886 -3.253 -1.812
126 HB2 SER 21 1HB SER 21 -9.503 -3.823 0.475
127 HB3 SER 21 2HB SER 21 -9.670 -2.115 0.883
128 HG SER 21 HG SER 21 -11.153 -3.063 -1.274
129 H ASP 22 H ASP 22 -8.058 -0.152 -0.444
130 HA ASP 22 HA ASP 22 -9.746 1.150 -2.480
131 HB2 ASP 22 1HB ASP 22 -8.901 2.417 0.126
132 HB3 ASP 22 2HB ASP 22 -10.119 2.989 -1.011
133 H ASN 23 H ASN 23 -8.859 2.791 -3.691
134 HA ASN 23 HA ASN 23 -6.105 2.710 -4.194
135 HB2 ASN 23 1HB ASN 23 -7.794 3.457 -5.841
136 HB3 ASN 23 2HB ASN 23 -8.054 4.918 -4.892
137 HD21 ASN 23 1HD2 ASN 23 -7.277 6.503 -6.104
138 HD22 ASN 23 2HD2 ASN 23 -5.690 6.559 -6.786
139 H ASN 24 H ASN 24 -8.024 5.278 -2.629
140 HA ASN 24 HA ASN 24 -6.238 7.152 -1.998
141 HB2 ASN 24 1HB ASN 24 -8.175 5.928 -0.020
142 HB3 ASN 24 2HB ASN 24 -7.406 7.503 0.158
143 HD21 ASN 24 1HD2 ASN 24 -10.167 6.026 -0.721
144 HD22 ASN 24 2HD2 ASN 24 -10.820 7.215 -1.791
145 H ARG 25 H ARG 25 -6.655 4.253 0.042
146 HA ARG 25 HA ARG 25 -4.574 4.703 1.805
147 HB2 ARG 25 1HB ARG 25 -5.774 2.150 0.751
148 HB3 ARG 25 2HB ARG 25 -4.504 2.145 1.968
149 HG2 ARG 25 1HG ARG 25 -5.951 3.536 3.418
150 HG3 ARG 25 2HG ARG 25 -7.234 3.386 2.216
151 HD2 ARG 25 1HD ARG 25 -6.833 0.837 2.476
152 HD3 ARG 25 2HD ARG 25 -6.041 1.288 3.985
153 HE ARG 25 HE ARG 25 -8.869 1.377 3.405
154 HH11 ARG 25 1HH1 ARG 25 -6.292 2.477 5.471
155 HH12 ARG 25 2HH1 ARG 25 -7.340 2.848 6.800
156 HH21 ARG 25 1HH2 ARG 25 -10.259 1.861 5.148
157 HH22 ARG 25 2HH2 ARG 25 -9.596 2.496 6.615
158 H LEU 26 H LEU 26 -4.496 3.072 -1.341
159 HA LEU 26 HA LEU 26 -1.783 2.310 -1.247
160 HB2 LEU 26 1HB LEU 26 -3.337 1.307 -2.806
161 HB3 LEU 26 2HB LEU 26 -3.585 2.861 -3.600
162 HG LEU 26 HG LEU 26 -1.046 2.727 -4.112
163 HD11 LEU 26 1HD1 LEU 26 -0.293 0.374 -4.414
164 HD12 LEU 26 2HD1 LEU 26 -1.696 -0.145 -3.480
165 HD13 LEU 26 3HD1 LEU 26 -0.462 0.866 -2.729
166 HD21 LEU 26 3HD2 LEU 26 -3.394 1.750 -5.442
167 HD22 LEU 26 1HD2 LEU 26 -1.995 0.770 -5.880
168 HD23 LEU 26 2HD2 LEU 26 -1.959 2.516 -6.124
169 H VAL 27 H VAL 27 -3.382 5.131 -2.703
170 HA VAL 27 HA VAL 27 -1.242 6.372 -3.892
171 HB VAL 27 HB VAL 27 -3.471 7.721 -2.361
172 HG11 VAL 27 1HG1 VAL 27 -1.240 8.955 -3.189
173 HG12 VAL 27 2HG1 VAL 27 -2.186 9.032 -4.677
174 HG13 VAL 27 3HG1 VAL 27 -2.826 9.727 -3.187
175 HG21 VAL 27 3HG2 VAL 27 -4.747 6.795 -3.949
176 HG22 VAL 27 1HG2 VAL 27 -4.006 7.964 -5.042
177 HG23 VAL 27 2HG2 VAL 27 -3.353 6.329 -4.924
178 H GLN 28 H GLN 28 -2.329 6.853 -0.530
179 HA GLN 28 HA GLN 28 -0.184 8.535 0.201
180 HB2 GLN 28 1HB GLN 28 -2.151 6.891 1.770
181 HB3 GLN 28 2HB GLN 28 -0.867 7.784 2.574
182 HG2 GLN 28 1HG GLN 28 -1.768 9.805 1.233
183 HG3 GLN 28 2HG GLN 28 -3.216 8.816 1.048
184 HE21 GLN 28 1HE2 GLN 28 -1.214 10.590 3.250
185 HE22 GLN 28 2HE2 GLN 28 -2.310 10.576 4.585
186 H HIS 29 H HIS 29 -0.601 5.055 0.222
187 HA HIS 29 HA HIS 29 1.677 4.451 1.804
188 HB2 HIS 29 1HB HIS 29 0.155 2.694 1.681
189 HB3 HIS 29 2HB HIS 29 -0.078 2.885 -0.054
190 HD1 HIS 29 HD1 HIS 29 2.155 1.274 2.464
191 HD2 HIS 29 HD2 HIS 29 1.808 1.571 -1.665
192 HE1 HIS 29 HE1 HIS 29 3.711 -0.467 1.532
193 H GLN 30 H GLN 30 1.170 5.013 -1.615
194 HA GLN 30 HA GLN 30 3.576 3.972 -2.601
195 HB2 GLN 30 1HB GLN 30 1.780 6.182 -3.585
196 HB3 GLN 30 2HB GLN 30 3.212 5.671 -4.469
197 HG2 GLN 30 1HG GLN 30 2.167 3.309 -4.304
198 HG3 GLN 30 2HG GLN 30 0.676 4.183 -3.960
199 HE21 GLN 30 1HE2 GLN 30 1.361 2.512 -6.241
200 HE22 GLN 30 2HE2 GLN 30 1.178 3.508 -7.641
201 H LYS 31 H LYS 31 2.768 7.315 -1.673
202 HA LYS 31 HA LYS 31 5.376 8.331 -2.074
203 HB2 LYS 31 1HB LYS 31 4.602 10.326 -1.024
204 HB3 LYS 31 2HB LYS 31 3.254 9.681 -1.951
205 HG2 LYS 31 1HG LYS 31 2.209 8.839 0.029
206 HG3 LYS 31 2HG LYS 31 3.621 9.251 1.005
207 HD2 LYS 31 1HD LYS 31 2.243 11.034 1.460
208 HD3 LYS 31 2HD LYS 31 3.160 11.667 0.091
209 HE2 LYS 31 1HE LYS 31 1.228 10.643 -1.323
210 HE3 LYS 31 2HE LYS 31 0.335 10.690 0.197
211 HZ1 LYS 31 3HZ LYS 31 -0.139 12.705 -0.854
212 HZ2 LYS 31 1HZ LYS 31 1.464 12.954 -1.335
213 HZ3 LYS 31 2HZ LYS 31 1.036 13.111 0.294
214 H MET 32 H MET 32 3.722 6.993 0.738
215 HA MET 32 HA MET 32 5.413 7.670 2.782
216 HB2 MET 32 1HB MET 32 3.755 5.249 2.225
217 HB3 MET 32 2HB MET 32 4.854 5.219 3.598
218 HG2 MET 32 1HG MET 32 3.771 7.133 4.569
219 HG3 MET 32 2HG MET 32 2.744 7.315 3.149
220 HE1 MET 32 3HE MET 32 0.546 6.314 6.192
221 HE2 MET 32 1HE MET 32 1.420 7.628 5.404
222 HE3 MET 32 2HE MET 32 0.072 6.847 4.578
223 H HIS 33 H HIS 33 5.992 5.448 0.171
224 HA HIS 33 HA HIS 33 8.167 4.038 1.296
225 HB2 HIS 33 1HB HIS 33 7.164 4.499 -1.487
226 HB3 HIS 33 2HB HIS 33 8.747 3.764 -1.254
227 HD1 HIS 33 HD1 HIS 33 8.107 1.933 1.139
228 HD2 HIS 33 HD2 HIS 33 5.690 2.329 -2.217
229 HE1 HIS 33 HE1 HIS 33 6.746 -0.180 1.037
230 H THR 34 H THR 34 7.926 7.073 -0.457
231 HA THR 34 HA THR 34 10.839 7.417 -0.253
232 HB THR 34 HB THR 34 10.474 9.353 -1.827
233 HG1 THR 34 HG1 THR 34 8.504 9.677 -2.679
234 HG21 THR 34 3HG2 THR 34 11.003 7.938 -3.472
235 HG22 THR 34 1HG2 THR 34 9.409 7.187 -3.428
236 HG23 THR 34 2HG2 THR 34 10.679 6.625 -2.341
237 H VAL 35 H VAL 35 10.741 7.926 2.006
238 HA VAL 35 HA VAL 35 9.523 10.532 2.628
239 HB VAL 35 HB VAL 35 9.861 9.875 5.021
240 HG11 VAL 35 1HG1 VAL 35 8.117 7.863 4.742
241 HG12 VAL 35 2HG1 VAL 35 7.677 9.556 4.509
242 HG13 VAL 35 3HG1 VAL 35 8.039 8.537 3.115
243 HG21 VAL 35 3HG2 VAL 35 10.072 7.029 4.390
244 HG22 VAL 35 1HG2 VAL 35 11.523 7.955 4.003
245 HG23 VAL 35 2HG2 VAL 35 10.874 7.975 5.643
246 H LYS 36 H LYS 36 10.755 12.233 3.173
247 HA LYS 36 HA LYS 36 13.601 11.784 3.750
248 HB2 LYS 36 1HB LYS 36 12.391 13.519 1.634
249 HB3 LYS 36 2HB LYS 36 13.884 14.033 2.409
250 HG2 LYS 36 1HG LYS 36 15.096 12.266 1.545
251 HG3 LYS 36 2HG LYS 36 13.658 11.280 1.273
252 HD2 LYS 36 1HD LYS 36 13.969 13.852 -0.211
253 HD3 LYS 36 2HD LYS 36 14.884 12.436 -0.736
254 HE2 LYS 36 1HE LYS 36 12.885 12.408 -1.986
255 HE3 LYS 36 2HE LYS 36 12.681 11.185 -0.733
256 HZ1 LYS 36 3HZ LYS 36 11.192 12.497 0.422
257 HZ2 LYS 36 1HZ LYS 36 10.780 12.832 -1.185
258 HZ3 LYS 36 2HZ LYS 36 11.710 13.935 -0.303
259 H SER 37 H SER 37 11.599 12.225 5.648
260 HA SER 37 HA SER 37 12.207 14.972 6.531
261 HB2 SER 37 1HB SER 37 9.835 14.767 6.060
262 HB3 SER 37 2HB SER 37 9.728 13.314 7.053
263 HG SER 37 HG SER 37 9.045 14.989 8.317
264 H GLY 38 H GLY 38 11.228 11.794 7.837
265 HA2 GLY 38 1HA GLY 38 13.220 12.194 9.980
266 HA3 GLY 38 2HA GLY 38 11.605 11.601 10.336
267 HA PRO 39 HA PRO 39 14.721 8.198 8.940
268 HB2 PRO 39 1HB PRO 39 15.886 7.535 11.301
269 HB3 PRO 39 2HB PRO 39 16.573 8.728 10.192
270 HG2 PRO 39 1HG PRO 39 14.941 9.159 12.664
271 HG3 PRO 39 2HG PRO 39 16.391 10.021 12.116
272 HD2 PRO 39 1HD PRO 39 13.894 11.019 11.796
273 HD3 PRO 39 2HD PRO 39 15.204 11.336 10.641
274 H SER 40 H SER 40 14.526 5.933 9.509
275 HA SER 40 HA SER 40 11.964 5.097 10.078
276 HB2 SER 40 1HB SER 40 12.943 2.843 10.440
277 HB3 SER 40 2HB SER 40 13.588 3.635 9.002
278 HG SER 40 HG SER 40 15.246 4.373 10.756
279 H SER 41 H SER 41 11.572 3.389 11.951
280 HA SER 41 HA SER 41 12.092 4.840 14.455
281 HB2 SER 41 1HB SER 41 9.834 3.056 13.565
282 HB3 SER 41 2HB SER 41 10.107 3.406 15.272
283 HG SER 41 HG SER 41 10.180 5.724 14.276
284 H GLY 42 H GLY 42 11.854 1.544 13.132
285 HA2 GLY 42 1HA GLY 42 13.038 -0.357 13.663
286 HA3 GLY 42 2HA GLY 42 14.129 0.655 14.598
Start of MODEL 2
1 H1 GLY 1 H GLY 1 3.416 -10.901 2.974
2 HA2 GLY 1 1HA GLY 1 2.896 -12.364 0.894
3 HA3 GLY 1 2HA GLY 1 3.648 -13.616 1.873
4 H SER 2 H SER 2 1.123 -14.025 1.006
5 HA SER 2 HA SER 2 -0.938 -13.095 2.670
6 HB2 SER 2 1HB SER 2 -0.734 -15.686 1.117
7 HB3 SER 2 2HB SER 2 -2.217 -15.056 1.834
8 HG SER 2 HG SER 2 -0.665 -13.588 -0.025
9 H SER 3 H SER 3 0.716 -16.257 2.738
10 HA SER 3 HA SER 3 1.058 -17.760 4.411
11 HB2 SER 3 1HB SER 3 0.928 -15.241 6.082
12 HB3 SER 3 2HB SER 3 1.428 -16.813 6.704
13 HG SER 3 HG SER 3 3.133 -16.788 5.190
14 H GLY 4 H GLY 4 -1.564 -17.558 3.507
15 HA2 GLY 4 1HA GLY 4 -3.114 -19.101 4.936
16 HA3 GLY 4 2HA GLY 4 -3.234 -17.648 5.917
17 H SER 5 H SER 5 -5.253 -16.938 5.610
18 HA SER 5 HA SER 5 -6.368 -16.915 2.905
19 HB2 SER 5 1HB SER 5 -7.721 -17.846 4.784
20 HB3 SER 5 2HB SER 5 -7.728 -16.246 5.526
21 HG SER 5 HG SER 5 -9.401 -17.167 3.734
22 H SER 6 H SER 6 -6.583 -15.116 1.736
23 HA SER 6 HA SER 6 -6.659 -12.509 3.013
24 HB2 SER 6 1HB SER 6 -4.462 -13.292 1.083
25 HB3 SER 6 2HB SER 6 -4.809 -11.635 1.577
26 HG SER 6 HG SER 6 -4.173 -13.736 3.374
27 H GLY 7 H GLY 7 -7.873 -11.081 1.896
28 HA2 GLY 7 1HA GLY 7 -9.247 -12.041 -0.456
29 HA3 GLY 7 2HA GLY 7 -9.549 -10.529 0.388
30 H GLU 8 H GLU 8 -8.700 -11.678 -2.494
31 HA GLU 8 HA GLU 8 -6.422 -10.153 -3.201
32 HB2 GLU 8 1HB GLU 8 -7.113 -12.065 -4.531
33 HB3 GLU 8 2HB GLU 8 -8.641 -11.283 -4.913
34 HG2 GLU 8 1HG GLU 8 -6.008 -10.071 -5.675
35 HG3 GLU 8 2HG GLU 8 -6.823 -11.259 -6.691
36 H LYS 9 H LYS 9 -6.198 -8.083 -3.779
37 HA LYS 9 HA LYS 9 -8.648 -6.481 -4.125
38 HB2 LYS 9 1HB LYS 9 -6.118 -5.956 -2.638
39 HB3 LYS 9 2HB LYS 9 -6.919 -4.592 -3.407
40 HG2 LYS 9 1HG LYS 9 -7.763 -4.598 -1.242
41 HG3 LYS 9 2HG LYS 9 -9.027 -5.385 -2.190
42 HD2 LYS 9 1HD LYS 9 -8.488 -7.504 -1.367
43 HD3 LYS 9 2HD LYS 9 -6.891 -6.986 -0.820
44 HE2 LYS 9 1HE LYS 9 -8.274 -7.249 1.108
45 HE3 LYS 9 2HE LYS 9 -8.026 -5.522 0.854
46 HZ1 LYS 9 3HZ LYS 9 -10.189 -5.191 0.404
47 HZ2 LYS 9 1HZ LYS 9 -10.411 -6.628 1.268
48 HZ3 LYS 9 2HZ LYS 9 -10.372 -6.655 -0.423
49 HA PRO 10 HA PRO 10 -7.242 -5.343 -8.131
50 HB2 PRO 10 1HB PRO 10 -8.411 -2.905 -8.372
51 HB3 PRO 10 2HB PRO 10 -9.321 -4.418 -8.448
52 HG2 PRO 10 1HG PRO 10 -8.975 -2.528 -6.152
53 HG3 PRO 10 2HG PRO 10 -10.441 -3.358 -6.707
54 HD2 PRO 10 1HD PRO 10 -8.987 -4.226 -4.594
55 HD3 PRO 10 2HD PRO 10 -9.869 -5.333 -5.666
56 H TYR 11 H TYR 11 -6.281 -3.717 -5.325
57 HA TYR 11 HA TYR 11 -4.375 -2.058 -6.839
58 HB2 TYR 11 1HB TYR 11 -5.339 -1.660 -4.000
59 HB3 TYR 11 2HB TYR 11 -4.252 -0.598 -4.888
60 HD1 TYR 11 HD1 TYR 11 -5.127 0.676 -6.860
61 HD2 TYR 11 HD2 TYR 11 -7.690 -1.489 -4.243
62 HE1 TYR 11 HE1 TYR 11 -7.054 1.951 -7.702
63 HE2 TYR 11 HE2 TYR 11 -9.624 -0.220 -5.079
64 HH TYR 11 HH TYR 11 -9.644 2.452 -6.387
65 H SER 12 H SER 12 -2.290 -2.554 -6.699
66 HA SER 12 HA SER 12 -1.317 -4.035 -4.362
67 HB2 SER 12 1HB SER 12 -1.784 -5.677 -6.161
68 HB3 SER 12 2HB SER 12 -0.684 -4.799 -7.224
69 HG SER 12 HG SER 12 0.599 -6.304 -6.363
70 H CYS 13 H CYS 13 0.840 -3.683 -3.837
71 HA CYS 13 HA CYS 13 2.018 -1.320 -5.108
72 HB2 CYS 13 1HB CYS 13 1.636 -1.280 -2.653
73 HB3 CYS 13 2HB CYS 13 2.742 -2.640 -2.484
74 H ALA 14 H ALA 14 3.735 -1.488 -6.385
75 HA ALA 14 HA ALA 14 5.010 -4.062 -6.746
76 HB1 ALA 14 3HB ALA 14 6.187 -2.960 -8.606
77 HB2 ALA 14 1HB ALA 14 4.437 -2.768 -8.710
78 HB3 ALA 14 2HB ALA 14 5.440 -1.429 -8.152
79 H GLU 15 H GLU 15 5.416 -2.483 -4.248
80 HA GLU 15 HA GLU 15 8.355 -2.313 -4.372
81 HB2 GLU 15 1HB GLU 15 6.546 -0.678 -2.586
82 HB3 GLU 15 2HB GLU 15 8.296 -0.557 -2.694
83 HG2 GLU 15 1HG GLU 15 6.430 0.007 -4.984
84 HG3 GLU 15 2HG GLU 15 7.050 1.237 -3.885
85 H CYS 16 H CYS 16 5.531 -3.075 -2.391
86 HA CYS 16 HA CYS 16 7.235 -4.870 -0.796
87 HB2 CYS 16 1HB CYS 16 5.817 -4.360 1.173
88 HB3 CYS 16 2HB CYS 16 6.696 -2.951 0.589
89 H LYS 17 H LYS 17 4.719 -4.623 -2.912
90 HA LYS 17 HA LYS 17 3.129 -6.069 -3.656
91 HB2 LYS 17 1HB LYS 17 4.613 -8.001 -1.866
92 HB3 LYS 17 2HB LYS 17 3.355 -8.466 -3.004
93 HG2 LYS 17 1HG LYS 17 5.356 -8.916 -4.114
94 HG3 LYS 17 2HG LYS 17 4.808 -7.383 -4.796
95 HD2 LYS 17 1HD LYS 17 6.358 -6.154 -3.447
96 HD3 LYS 17 2HD LYS 17 6.792 -7.602 -2.536
97 HE2 LYS 17 1HE LYS 17 7.174 -7.501 -5.503
98 HE3 LYS 17 2HE LYS 17 8.360 -6.764 -4.426
99 HZ1 LYS 17 3HZ LYS 17 9.190 -8.869 -4.631
100 HZ2 LYS 17 1HZ LYS 17 7.669 -9.595 -4.768
101 HZ3 LYS 17 2HZ LYS 17 8.223 -9.074 -3.258
102 H GLU 18 H GLU 18 2.341 -4.375 -1.647
103 HA GLU 18 HA GLU 18 0.768 -6.007 0.210
104 HB2 GLU 18 1HB GLU 18 2.179 -4.042 1.003
105 HB3 GLU 18 2HB GLU 18 1.009 -3.001 0.204
106 HG2 GLU 18 1HG GLU 18 -0.736 -3.717 1.646
107 HG3 GLU 18 2HG GLU 18 0.263 -5.006 2.315
108 H THR 19 H THR 19 -1.457 -5.904 0.315
109 HA THR 19 HA THR 19 -2.759 -4.890 -2.101
110 HB THR 19 HB THR 19 -4.748 -6.212 -1.191
111 HG1 THR 19 HG1 THR 19 -3.743 -7.985 0.251
112 HG21 THR 19 3HG2 THR 19 -2.648 -6.947 -2.781
113 HG22 THR 19 1HG2 THR 19 -4.100 -7.910 -2.514
114 HG23 THR 19 2HG2 THR 19 -2.647 -8.221 -1.562
115 H PHE 20 H PHE 20 -4.538 -3.521 -2.055
116 HA PHE 20 HA PHE 20 -5.251 -2.341 0.535
117 HB2 PHE 20 1HB PHE 20 -4.558 -0.767 -1.955
118 HB3 PHE 20 2HB PHE 20 -5.188 -0.082 -0.461
119 HD1 PHE 20 HD2 PHE 20 -2.280 -1.590 -2.090
120 HD2 PHE 20 HD1 PHE 20 -3.793 0.153 1.487
121 HE1 PHE 20 HE2 PHE 20 0.015 -1.357 -1.236
122 HE2 PHE 20 HE1 PHE 20 -1.500 0.389 2.346
123 HZ PHE 20 HZ PHE 20 0.408 -0.368 0.985
124 H SER 21 H SER 21 -7.378 -2.136 0.813
125 HA SER 21 HA SER 21 -9.247 -3.180 -0.957
126 HB2 SER 21 1HB SER 21 -10.937 -1.915 0.461
127 HB3 SER 21 2HB SER 21 -9.850 -2.988 1.341
128 HG SER 21 HG SER 21 -9.629 -0.171 1.079
129 H ASP 22 H ASP 22 -8.157 0.145 -0.523
130 HA ASP 22 HA ASP 22 -9.555 0.847 -3.016
131 HB2 ASP 22 1HB ASP 22 -9.429 2.385 -0.433
132 HB3 ASP 22 2HB ASP 22 -9.719 3.200 -1.967
133 H ASN 23 H ASN 23 -8.643 3.151 -3.728
134 HA ASN 23 HA ASN 23 -5.831 2.705 -4.195
135 HB2 ASN 23 1HB ASN 23 -6.812 3.485 -6.130
136 HB3 ASN 23 2HB ASN 23 -7.910 4.559 -5.268
137 HD21 ASN 23 1HD2 ASN 23 -4.733 4.166 -6.594
138 HD22 ASN 23 2HD2 ASN 23 -4.256 5.822 -6.479
139 H ASN 24 H ASN 24 -7.783 5.339 -2.799
140 HA ASN 24 HA ASN 24 -5.981 7.179 -2.077
141 HB2 ASN 24 1HB ASN 24 -8.503 6.878 -1.397
142 HB3 ASN 24 2HB ASN 24 -7.818 6.237 0.093
143 HD21 ASN 24 1HD2 ASN 24 -7.385 8.989 -2.106
144 HD22 ASN 24 2HD2 ASN 24 -7.187 10.170 -0.861
145 H ARG 25 H ARG 25 -6.474 4.116 -0.360
146 HA ARG 25 HA ARG 25 -4.571 4.589 1.672
147 HB2 ARG 25 1HB ARG 25 -5.662 2.007 0.543
148 HB3 ARG 25 2HB ARG 25 -4.646 2.103 1.976
149 HG2 ARG 25 1HG ARG 25 -6.304 2.986 3.266
150 HG3 ARG 25 2HG ARG 25 -7.106 3.761 1.899
151 HD2 ARG 25 1HD ARG 25 -8.123 1.767 1.218
152 HD3 ARG 25 2HD ARG 25 -7.019 0.776 2.171
153 HE ARG 25 HE ARG 25 -9.413 2.103 3.097
154 HH11 ARG 25 1HH1 ARG 25 -6.404 0.588 3.974
155 HH12 ARG 25 2HH1 ARG 25 -6.907 0.226 5.592
156 HH21 ARG 25 1HH2 ARG 25 -10.087 1.632 5.225
157 HH22 ARG 25 2HH2 ARG 25 -9.003 0.819 6.302
158 H LEU 26 H LEU 26 -4.353 3.008 -1.486
159 HA LEU 26 HA LEU 26 -1.653 2.171 -1.187
160 HB2 LEU 26 1HB LEU 26 -3.008 1.037 -2.770
161 HB3 LEU 26 2HB LEU 26 -3.434 2.542 -3.581
162 HG LEU 26 HG LEU 26 -0.901 2.671 -4.131
163 HD11 LEU 26 1HD1 LEU 26 -1.045 0.169 -2.759
164 HD12 LEU 26 2HD1 LEU 26 0.363 0.996 -3.422
165 HD13 LEU 26 3HD1 LEU 26 -0.569 -0.106 -4.435
166 HD21 LEU 26 3HD2 LEU 26 -3.012 2.053 -5.586
167 HD22 LEU 26 1HD2 LEU 26 -2.249 0.463 -5.599
168 HD23 LEU 26 2HD2 LEU 26 -1.375 1.865 -6.217
169 H VAL 27 H VAL 27 -3.095 4.791 -3.136
170 HA VAL 27 HA VAL 27 -0.814 5.972 -4.094
171 HB VAL 27 HB VAL 27 -3.038 6.723 -4.748
172 HG11 VAL 27 1HG1 VAL 27 -4.119 6.581 -2.558
173 HG12 VAL 27 2HG1 VAL 27 -3.189 7.976 -2.007
174 HG13 VAL 27 3HG1 VAL 27 -4.374 8.161 -3.300
175 HG21 VAL 27 3HG2 VAL 27 -2.603 9.266 -4.404
176 HG22 VAL 27 1HG2 VAL 27 -1.090 8.721 -3.680
177 HG23 VAL 27 2HG2 VAL 27 -1.467 8.307 -5.353
178 H GLN 28 H GLN 28 -2.304 6.423 -0.917
179 HA GLN 28 HA GLN 28 -0.439 8.421 -0.077
180 HB2 GLN 28 1HB GLN 28 -2.608 6.840 1.232
181 HB3 GLN 28 2HB GLN 28 -1.426 7.651 2.251
182 HG2 GLN 28 1HG GLN 28 -1.971 9.769 1.019
183 HG3 GLN 28 2HG GLN 28 -3.305 8.897 0.266
184 HE21 GLN 28 1HE2 GLN 28 -2.922 11.142 2.367
185 HE22 GLN 28 2HE2 GLN 28 -4.058 10.715 3.595
186 H HIS 29 H HIS 29 -0.420 4.994 -0.210
187 HA HIS 29 HA HIS 29 1.650 4.707 1.808
188 HB2 HIS 29 1HB HIS 29 0.225 2.872 1.869
189 HB3 HIS 29 2HB HIS 29 0.062 2.811 0.117
190 HD1 HIS 29 HD1 HIS 29 1.603 1.050 2.790
191 HD2 HIS 29 HD2 HIS 29 2.721 2.007 -1.095
192 HE1 HIS 29 HE1 HIS 29 3.437 -0.566 2.201
193 H GLN 30 H GLN 30 1.338 4.906 -1.650
194 HA GLN 30 HA GLN 30 3.798 3.787 -2.406
195 HB2 GLN 30 1HB GLN 30 2.068 5.892 -3.700
196 HB3 GLN 30 2HB GLN 30 3.526 5.262 -4.455
197 HG2 GLN 30 1HG GLN 30 2.361 2.949 -3.992
198 HG3 GLN 30 2HG GLN 30 0.907 3.945 -3.988
199 HE21 GLN 30 1HE2 GLN 30 0.502 2.461 -5.860
200 HE22 GLN 30 2HE2 GLN 30 1.038 2.991 -7.414
201 H LYS 31 H LYS 31 2.911 7.093 -1.513
202 HA LYS 31 HA LYS 31 5.479 8.205 -2.028
203 HB2 LYS 31 1HB LYS 31 4.654 10.176 -0.872
204 HB3 LYS 31 2HB LYS 31 3.419 9.560 -1.962
205 HG2 LYS 31 1HG LYS 31 2.070 8.831 -0.238
206 HG3 LYS 31 2HG LYS 31 3.408 8.741 0.909
207 HD2 LYS 31 1HD LYS 31 2.250 10.629 1.609
208 HD3 LYS 31 2HD LYS 31 3.533 11.307 0.604
209 HE2 LYS 31 1HE LYS 31 1.701 12.445 -0.191
210 HE3 LYS 31 2HE LYS 31 1.754 11.075 -1.299
211 HZ1 LYS 31 3HZ LYS 31 -0.199 11.728 0.745
212 HZ2 LYS 31 1HZ LYS 31 0.216 10.091 0.635
213 HZ3 LYS 31 2HZ LYS 31 -0.395 10.901 -0.718
214 H MET 32 H MET 32 4.036 6.568 0.678
215 HA MET 32 HA MET 32 5.727 7.438 2.734
216 HB2 MET 32 1HB MET 32 4.241 4.846 2.318
217 HB3 MET 32 2HB MET 32 5.151 5.192 3.782
218 HG2 MET 32 1HG MET 32 3.011 7.039 2.793
219 HG3 MET 32 2HG MET 32 2.639 5.635 3.790
220 HE1 MET 32 3HE MET 32 2.805 6.885 7.140
221 HE2 MET 32 1HE MET 32 2.199 5.786 5.901
222 HE3 MET 32 2HE MET 32 3.797 5.529 6.601
223 H HIS 33 H HIS 33 6.210 5.134 0.167
224 HA HIS 33 HA HIS 33 8.438 3.777 1.262
225 HB2 HIS 33 1HB HIS 33 7.219 4.049 -1.439
226 HB3 HIS 33 2HB HIS 33 8.883 3.477 -1.356
227 HD1 HIS 33 HD1 HIS 33 8.975 1.501 0.791
228 HD2 HIS 33 HD2 HIS 33 5.598 1.908 -1.594
229 HE1 HIS 33 HE1 HIS 33 7.749 -0.686 0.984
230 H THR 34 H THR 34 8.064 6.865 -0.225
231 HA THR 34 HA THR 34 10.361 7.529 -1.423
232 HB THR 34 HB THR 34 8.508 9.119 -0.786
233 HG1 THR 34 HG1 THR 34 10.220 10.091 -1.742
234 HG21 THR 34 3HG2 THR 34 10.108 9.342 1.767
235 HG22 THR 34 1HG2 THR 34 8.488 8.661 1.624
236 HG23 THR 34 2HG2 THR 34 8.756 10.374 1.300
237 H VAL 35 H VAL 35 12.456 8.159 -0.882
238 HA VAL 35 HA VAL 35 13.375 7.212 1.752
239 HB VAL 35 HB VAL 35 14.930 7.428 -0.830
240 HG11 VAL 35 1HG1 VAL 35 15.720 6.780 1.974
241 HG12 VAL 35 2HG1 VAL 35 16.556 5.997 0.632
242 HG13 VAL 35 3HG1 VAL 35 16.556 7.756 0.767
243 HG21 VAL 35 3HG2 VAL 35 14.454 5.280 -1.250
244 HG22 VAL 35 1HG2 VAL 35 14.658 4.813 0.438
245 HG23 VAL 35 2HG2 VAL 35 13.126 5.492 -0.110
246 H LYS 36 H LYS 36 14.474 8.549 3.071
247 HA LYS 36 HA LYS 36 15.283 11.177 2.021
248 HB2 LYS 36 1HB LYS 36 13.166 11.386 3.274
249 HB3 LYS 36 2HB LYS 36 13.937 10.664 4.681
250 HG2 LYS 36 1HG LYS 36 15.542 12.562 4.698
251 HG3 LYS 36 2HG LYS 36 14.605 13.304 3.399
252 HD2 LYS 36 1HD LYS 36 13.216 12.448 5.899
253 HD3 LYS 36 2HD LYS 36 14.155 13.943 5.902
254 HE2 LYS 36 1HE LYS 36 12.116 14.759 5.270
255 HE3 LYS 36 2HE LYS 36 12.798 14.393 3.686
256 HZ1 LYS 36 3HZ LYS 36 10.811 13.356 3.478
257 HZ2 LYS 36 1HZ LYS 36 10.644 13.061 5.136
258 HZ3 LYS 36 2HZ LYS 36 11.657 12.082 4.201
259 H SER 37 H SER 37 17.393 10.135 1.896
260 HA SER 37 HA SER 37 18.691 9.308 4.327
261 HB2 SER 37 1HB SER 37 20.660 8.978 2.935
262 HB3 SER 37 2HB SER 37 19.246 8.310 2.119
263 HG SER 37 HG SER 37 20.024 10.958 1.604
264 H GLY 38 H GLY 38 20.036 10.452 5.613
265 HA2 GLY 38 1HA GLY 38 21.725 12.403 5.422
266 HA3 GLY 38 2HA GLY 38 20.282 13.322 5.019
267 HA PRO 39 HA PRO 39 21.064 13.036 9.705
268 HB2 PRO 39 1HB PRO 39 21.978 15.562 10.103
269 HB3 PRO 39 2HB PRO 39 23.047 14.197 9.759
270 HG2 PRO 39 1HG PRO 39 22.013 16.307 7.904
271 HG3 PRO 39 2HG PRO 39 23.647 15.627 8.027
272 HD2 PRO 39 1HD PRO 39 21.885 14.851 6.123
273 HD3 PRO 39 2HD PRO 39 23.092 13.747 6.814
274 H SER 40 H SER 40 19.534 13.727 11.131
275 HA SER 40 HA SER 40 17.728 15.883 10.270
276 HB2 SER 40 1HB SER 40 15.809 14.581 11.115
277 HB3 SER 40 2HB SER 40 16.633 13.740 9.802
278 HG SER 40 HG SER 40 17.313 13.231 12.489
279 H SER 41 H SER 41 19.010 17.181 11.731
280 HA SER 41 HA SER 41 17.930 17.121 14.418
281 HB2 SER 41 1HB SER 41 20.828 16.624 13.813
282 HB3 SER 41 2HB SER 41 20.367 17.447 15.302
283 HG SER 41 HG SER 41 18.906 15.576 15.606
284 H GLY 42 H GLY 42 18.488 19.086 15.647
285 HA2 GLY 42 1HA GLY 42 19.765 21.288 15.277
286 HA3 GLY 42 2HA GLY 42 18.820 21.354 13.797
Start of MODEL 3
1 H1 GLY 1 H GLY 1 1.111 -26.601 1.855
2 HA2 GLY 1 1HA GLY 1 -0.263 -26.036 4.401
3 HA3 GLY 1 2HA GLY 1 1.269 -25.333 3.906
4 H SER 2 H SER 2 1.001 -23.221 3.642
5 HA SER 2 HA SER 2 -1.526 -22.096 2.856
6 HB2 SER 2 1HB SER 2 1.183 -20.849 3.364
7 HB3 SER 2 2HB SER 2 -0.261 -19.921 2.958
8 HG SER 2 HG SER 2 -0.455 -21.742 5.058
9 H SER 3 H SER 3 -1.794 -23.063 0.779
10 HA SER 3 HA SER 3 -0.223 -21.715 -1.315
11 HB2 SER 3 1HB SER 3 -1.174 -24.588 -1.293
12 HB3 SER 3 2HB SER 3 -0.505 -23.777 -2.708
13 HG SER 3 HG SER 3 1.438 -23.530 -1.601
14 H GLY 4 H GLY 4 -1.434 -20.494 -2.596
15 HA2 GLY 4 1HA GLY 4 -3.725 -21.186 -3.936
16 HA3 GLY 4 2HA GLY 4 -4.293 -20.529 -2.408
17 H SER 5 H SER 5 -5.326 -18.935 -3.839
18 HA SER 5 HA SER 5 -3.658 -17.056 -5.236
19 HB2 SER 5 1HB SER 5 -6.183 -17.753 -5.643
20 HB3 SER 5 2HB SER 5 -6.491 -16.420 -4.531
21 HG SER 5 HG SER 5 -4.831 -15.367 -6.115
22 H SER 6 H SER 6 -2.478 -15.586 -4.222
23 HA SER 6 HA SER 6 -3.450 -14.499 -1.667
24 HB2 SER 6 1HB SER 6 -1.052 -13.802 -1.336
25 HB3 SER 6 2HB SER 6 -1.301 -15.546 -1.411
26 HG SER 6 HG SER 6 0.262 -15.361 -2.838
27 H GLY 7 H GLY 7 -4.113 -12.456 -1.589
28 HA2 GLY 7 1HA GLY 7 -4.147 -10.173 -2.036
29 HA3 GLY 7 2HA GLY 7 -2.919 -10.424 -3.268
30 H GLU 8 H GLU 8 -6.355 -10.532 -2.573
31 HA GLU 8 HA GLU 8 -6.908 -10.715 -5.456
32 HB2 GLU 8 1HB GLU 8 -9.135 -11.439 -4.879
33 HB3 GLU 8 2HB GLU 8 -7.972 -12.423 -4.001
34 HG2 GLU 8 1HG GLU 8 -8.561 -11.571 -1.976
35 HG3 GLU 8 2HG GLU 8 -9.047 -10.015 -2.647
36 H LYS 9 H LYS 9 -5.971 -8.289 -4.501
37 HA LYS 9 HA LYS 9 -8.392 -6.608 -4.557
38 HB2 LYS 9 1HB LYS 9 -5.853 -6.385 -3.023
39 HB3 LYS 9 2HB LYS 9 -6.583 -4.891 -3.596
40 HG2 LYS 9 1HG LYS 9 -7.365 -5.262 -1.390
41 HG3 LYS 9 2HG LYS 9 -8.708 -5.604 -2.484
42 HD2 LYS 9 1HD LYS 9 -8.719 -7.349 -0.895
43 HD3 LYS 9 2HD LYS 9 -8.004 -8.040 -2.354
44 HE2 LYS 9 1HE LYS 9 -5.845 -7.996 -1.452
45 HE3 LYS 9 2HE LYS 9 -6.299 -6.854 -0.188
46 HZ1 LYS 9 3HZ LYS 9 -6.285 -8.762 1.011
47 HZ2 LYS 9 1HZ LYS 9 -6.685 -9.747 -0.305
48 HZ3 LYS 9 2HZ LYS 9 -7.884 -8.837 0.465
49 HA PRO 10 HA PRO 10 -6.989 -4.983 -8.399
50 HB2 PRO 10 1HB PRO 10 -8.277 -2.594 -8.359
51 HB3 PRO 10 2HB PRO 10 -9.108 -4.128 -8.641
52 HG2 PRO 10 1HG PRO 10 -8.891 -2.526 -6.122
53 HG3 PRO 10 2HG PRO 10 -10.304 -3.350 -6.805
54 HD2 PRO 10 1HD PRO 10 -8.839 -4.404 -4.788
55 HD3 PRO 10 2HD PRO 10 -9.647 -5.410 -6.007
56 H TYR 11 H TYR 11 -6.142 -3.688 -5.395
57 HA TYR 11 HA TYR 11 -4.275 -1.790 -6.659
58 HB2 TYR 11 1HB TYR 11 -5.373 -1.696 -3.841
59 HB3 TYR 11 2HB TYR 11 -4.297 -0.514 -4.579
60 HD1 TYR 11 HD1 TYR 11 -5.181 0.704 -6.684
61 HD2 TYR 11 HD2 TYR 11 -7.679 -1.397 -3.954
62 HE1 TYR 11 HE1 TYR 11 -7.125 1.976 -7.493
63 HE2 TYR 11 HE2 TYR 11 -9.629 -0.132 -4.756
64 HH TYR 11 HH TYR 11 -9.716 2.479 -6.066
65 H SER 12 H SER 12 -2.277 -2.553 -6.707
66 HA SER 12 HA SER 12 -1.288 -4.060 -4.380
67 HB2 SER 12 1HB SER 12 0.042 -5.468 -5.907
68 HB3 SER 12 2HB SER 12 -1.685 -5.625 -6.226
69 HG SER 12 HG SER 12 -1.339 -4.912 -8.163
70 H CYS 13 H CYS 13 0.973 -3.876 -3.962
71 HA CYS 13 HA CYS 13 2.122 -1.386 -5.028
72 HB2 CYS 13 1HB CYS 13 1.669 -1.503 -2.565
73 HB3 CYS 13 2HB CYS 13 2.847 -2.807 -2.460
74 H ALA 14 H ALA 14 3.781 -1.564 -6.368
75 HA ALA 14 HA ALA 14 5.120 -4.109 -6.708
76 HB1 ALA 14 3HB ALA 14 4.395 -2.635 -8.615
77 HB2 ALA 14 1HB ALA 14 5.704 -1.542 -8.165
78 HB3 ALA 14 2HB ALA 14 6.068 -3.190 -8.678
79 H GLU 15 H GLU 15 5.565 -2.751 -4.203
80 HA GLU 15 HA GLU 15 8.482 -2.449 -4.382
81 HB2 GLU 15 1HB GLU 15 6.588 -0.681 -2.829
82 HB3 GLU 15 2HB GLU 15 8.331 -0.687 -2.603
83 HG2 GLU 15 1HG GLU 15 7.139 -0.197 -5.301
84 HG3 GLU 15 2HG GLU 15 7.275 1.102 -4.117
85 H CYS 16 H CYS 16 5.706 -2.963 -2.230
86 HA CYS 16 HA CYS 16 7.422 -4.695 -0.573
87 HB2 CYS 16 1HB CYS 16 5.957 -4.147 1.329
88 HB3 CYS 16 2HB CYS 16 6.720 -2.707 0.662
89 H LYS 17 H LYS 17 4.976 -4.694 -2.781
90 HA LYS 17 HA LYS 17 3.478 -6.251 -3.490
91 HB2 LYS 17 1HB LYS 17 5.138 -7.947 -1.631
92 HB3 LYS 17 2HB LYS 17 3.798 -8.609 -2.559
93 HG2 LYS 17 1HG LYS 17 5.611 -9.083 -3.897
94 HG3 LYS 17 2HG LYS 17 5.017 -7.575 -4.596
95 HD2 LYS 17 1HD LYS 17 6.760 -6.328 -3.698
96 HD3 LYS 17 2HD LYS 17 7.115 -7.533 -2.459
97 HE2 LYS 17 1HE LYS 17 7.438 -8.290 -5.320
98 HE3 LYS 17 2HE LYS 17 8.653 -7.246 -4.583
99 HZ1 LYS 17 3HZ LYS 17 7.813 -9.871 -3.479
100 HZ2 LYS 17 1HZ LYS 17 9.077 -8.895 -2.922
101 HZ3 LYS 17 2HZ LYS 17 9.186 -9.635 -4.439
102 H GLU 18 H GLU 18 2.451 -4.524 -1.700
103 HA GLU 18 HA GLU 18 0.971 -6.123 0.264
104 HB2 GLU 18 1HB GLU 18 1.686 -3.240 0.034
105 HB3 GLU 18 2HB GLU 18 0.190 -3.650 0.862
106 HG2 GLU 18 1HG GLU 18 2.870 -4.812 1.573
107 HG3 GLU 18 2HG GLU 18 2.175 -3.387 2.344
108 H THR 19 H THR 19 -1.353 -5.170 0.617
109 HA THR 19 HA THR 19 -2.631 -4.729 -1.996
110 HB THR 19 HB THR 19 -4.537 -6.189 -1.155
111 HG1 THR 19 HG1 THR 19 -3.317 -6.207 1.048
112 HG21 THR 19 3HG2 THR 19 -2.861 -6.863 -2.888
113 HG22 THR 19 1HG2 THR 19 -3.544 -8.210 -1.979
114 HG23 THR 19 2HG2 THR 19 -1.922 -7.626 -1.605
115 H PHE 20 H PHE 20 -4.503 -3.488 -1.983
116 HA PHE 20 HA PHE 20 -5.367 -2.380 0.590
117 HB2 PHE 20 1HB PHE 20 -4.907 -0.621 -1.818
118 HB3 PHE 20 2HB PHE 20 -5.243 -0.125 -0.162
119 HD1 PHE 20 HD2 PHE 20 -2.699 -1.458 -2.445
120 HD2 PHE 20 HD1 PHE 20 -3.508 -0.024 1.480
121 HE1 PHE 20 HE2 PHE 20 -0.283 -1.290 -2.012
122 HE2 PHE 20 HE1 PHE 20 -1.093 0.148 1.919
123 HZ PHE 20 HZ PHE 20 0.523 -0.487 0.172
124 H SER 21 H SER 21 -7.520 -1.999 0.750
125 HA SER 21 HA SER 21 -9.241 -3.171 -1.184
126 HB2 SER 21 1HB SER 21 -11.065 -2.405 0.286
127 HB3 SER 21 2HB SER 21 -9.784 -3.190 1.209
128 HG SER 21 HG SER 21 -8.983 -0.892 1.428
129 H ASP 22 H ASP 22 -8.408 0.148 -0.337
130 HA ASP 22 HA ASP 22 -9.965 1.069 -2.664
131 HB2 ASP 22 1HB ASP 22 -9.458 2.305 0.015
132 HB3 ASP 22 2HB ASP 22 -9.722 3.351 -1.377
133 H ASN 23 H ASN 23 -9.052 3.254 -3.497
134 HA ASN 23 HA ASN 23 -6.310 2.749 -4.250
135 HB2 ASN 23 1HB ASN 23 -7.439 3.514 -6.098
136 HB3 ASN 23 2HB ASN 23 -8.479 4.579 -5.156
137 HD21 ASN 23 1HD2 ASN 23 -5.829 4.396 -7.184
138 HD22 ASN 23 2HD2 ASN 23 -5.216 5.996 -6.959
139 H ASN 24 H ASN 24 -8.094 5.318 -2.569
140 HA ASN 24 HA ASN 24 -6.217 7.202 -2.117
141 HB2 ASN 24 1HB ASN 24 -8.578 7.130 -1.199
142 HB3 ASN 24 2HB ASN 24 -7.950 6.149 0.122
143 HD21 ASN 24 1HD2 ASN 24 -8.568 9.245 -0.948
144 HD22 ASN 24 2HD2 ASN 24 -7.656 10.120 0.230
145 H ARG 25 H ARG 25 -6.489 4.137 -0.359
146 HA ARG 25 HA ARG 25 -4.390 4.606 1.460
147 HB2 ARG 25 1HB ARG 25 -5.851 2.196 0.482
148 HB3 ARG 25 2HB ARG 25 -4.348 1.955 1.362
149 HG2 ARG 25 1HG ARG 25 -5.335 3.418 3.177
150 HG3 ARG 25 2HG ARG 25 -6.873 3.260 2.325
151 HD2 ARG 25 1HD ARG 25 -6.846 1.588 4.009
152 HD3 ARG 25 2HD ARG 25 -6.577 0.768 2.472
153 HE ARG 25 HE ARG 25 -4.550 0.091 3.260
154 HH11 ARG 25 1HH1 ARG 25 -5.578 2.866 5.093
155 HH12 ARG 25 2HH1 ARG 25 -4.244 2.796 6.196
156 HH21 ARG 25 1HH2 ARG 25 -2.788 -0.012 4.705
157 HH22 ARG 25 2HH2 ARG 25 -2.657 1.159 5.973
158 H LEU 26 H LEU 26 -4.456 3.081 -1.735
159 HA LEU 26 HA LEU 26 -1.776 2.228 -1.774
160 HB2 LEU 26 1HB LEU 26 -3.512 1.447 -3.336
161 HB3 LEU 26 2HB LEU 26 -3.525 3.039 -4.093
162 HG LEU 26 HG LEU 26 -1.083 2.630 -4.658
163 HD11 LEU 26 1HD1 LEU 26 -0.474 0.864 -3.235
164 HD12 LEU 26 2HD1 LEU 26 -0.561 0.149 -4.844
165 HD13 LEU 26 3HD1 LEU 26 -1.875 -0.103 -3.695
166 HD21 LEU 26 3HD2 LEU 26 -1.975 0.717 -6.374
167 HD22 LEU 26 1HD2 LEU 26 -2.225 2.451 -6.580
168 HD23 LEU 26 2HD2 LEU 26 -3.489 1.458 -5.854
169 H VAL 27 H VAL 27 -3.302 5.219 -2.919
170 HA VAL 27 HA VAL 27 -1.055 6.410 -4.067
171 HB VAL 27 HB VAL 27 -3.370 7.755 -2.666
172 HG11 VAL 27 1HG1 VAL 27 -1.985 9.158 -4.838
173 HG12 VAL 27 2HG1 VAL 27 -2.590 9.765 -3.296
174 HG13 VAL 27 3HG1 VAL 27 -1.030 8.946 -3.371
175 HG21 VAL 27 3HG2 VAL 27 -3.493 7.988 -5.485
176 HG22 VAL 27 1HG2 VAL 27 -3.211 6.289 -5.102
177 HG23 VAL 27 2HG2 VAL 27 -4.597 7.131 -4.409
178 H GLN 28 H GLN 28 -2.393 7.008 -0.811
179 HA GLN 28 HA GLN 28 -0.278 8.594 0.101
180 HB2 GLN 28 1HB GLN 28 -2.412 6.986 1.448
181 HB3 GLN 28 2HB GLN 28 -1.123 7.688 2.416
182 HG2 GLN 28 1HG GLN 28 -1.694 9.907 1.457
183 HG3 GLN 28 2HG GLN 28 -3.073 9.154 0.659
184 HE21 GLN 28 1HE2 GLN 28 -4.374 10.653 1.853
185 HE22 GLN 28 2HE2 GLN 28 -4.787 10.321 3.497
186 H HIS 29 H HIS 29 -0.805 5.100 0.325
187 HA HIS 29 HA HIS 29 1.379 4.464 1.946
188 HB2 HIS 29 1HB HIS 29 -0.221 2.763 1.592
189 HB3 HIS 29 2HB HIS 29 -0.109 2.907 -0.160
190 HD1 HIS 29 HD1 HIS 29 1.468 1.260 2.767
191 HD2 HIS 29 HD2 HIS 29 2.142 1.629 -1.316
192 HE1 HIS 29 HE1 HIS 29 3.182 -0.493 2.207
193 H GLN 30 H GLN 30 1.153 4.414 -1.612
194 HA GLN 30 HA GLN 30 3.643 3.618 -2.319
195 HB2 GLN 30 1HB GLN 30 1.818 5.680 -3.496
196 HB3 GLN 30 2HB GLN 30 3.411 5.429 -4.197
197 HG2 GLN 30 1HG GLN 30 2.637 2.903 -4.142
198 HG3 GLN 30 2HG GLN 30 1.041 3.651 -4.178
199 HE21 GLN 30 1HE2 GLN 30 0.749 2.680 -6.241
200 HE22 GLN 30 2HE2 GLN 30 1.447 3.390 -7.653
201 H LYS 31 H LYS 31 2.747 6.937 -1.415
202 HA LYS 31 HA LYS 31 5.207 8.162 -1.767
203 HB2 LYS 31 1HB LYS 31 3.182 8.745 0.402
204 HB3 LYS 31 2HB LYS 31 4.441 9.839 -0.156
205 HG2 LYS 31 1HG LYS 31 3.402 10.086 -2.277
206 HG3 LYS 31 2HG LYS 31 2.264 8.779 -1.939
207 HD2 LYS 31 1HD LYS 31 1.415 10.183 -0.018
208 HD3 LYS 31 2HD LYS 31 2.384 11.508 -0.668
209 HE2 LYS 31 1HE LYS 31 1.090 11.677 -2.588
210 HE3 LYS 31 2HE LYS 31 0.457 10.040 -2.425
211 HZ1 LYS 31 3HZ LYS 31 -1.326 11.279 -1.755
212 HZ2 LYS 31 1HZ LYS 31 -0.381 12.498 -1.059
213 HZ3 LYS 31 2HZ LYS 31 -0.575 11.019 -0.261
214 H MET 32 H MET 32 4.028 6.229 0.928
215 HA MET 32 HA MET 32 5.906 6.762 2.865
216 HB2 MET 32 1HB MET 32 3.872 5.085 2.782
217 HB3 MET 32 2HB MET 32 5.125 3.918 2.381
218 HG2 MET 32 1HG MET 32 6.292 4.996 4.495
219 HG3 MET 32 2HG MET 32 4.622 5.372 4.912
220 HE1 MET 32 3HE MET 32 3.609 2.426 6.753
221 HE2 MET 32 1HE MET 32 3.758 4.176 6.592
222 HE3 MET 32 2HE MET 32 2.728 3.274 5.481
223 H HIS 33 H HIS 33 6.302 5.030 -0.119
224 HA HIS 33 HA HIS 33 8.873 3.925 0.648
225 HB2 HIS 33 1HB HIS 33 7.322 3.863 -1.945
226 HB3 HIS 33 2HB HIS 33 8.901 3.112 -1.735
227 HD1 HIS 33 HD1 HIS 33 9.013 0.979 -0.262
228 HD2 HIS 33 HD2 HIS 33 5.182 2.495 -0.795
229 HE1 HIS 33 HE1 HIS 33 7.457 -0.838 0.515
230 H THR 34 H THR 34 8.275 6.895 0.408
231 HA THR 34 HA THR 34 10.550 7.536 -1.352
232 HB THR 34 HB THR 34 8.273 9.453 -0.912
233 HG1 THR 34 HG1 THR 34 7.172 8.545 -2.519
234 HG21 THR 34 3HG2 THR 34 9.162 10.632 -2.730
235 HG22 THR 34 1HG2 THR 34 10.107 9.251 -3.282
236 HG23 THR 34 2HG2 THR 34 10.584 10.119 -1.823
237 H VAL 35 H VAL 35 10.902 6.984 1.326
238 HA VAL 35 HA VAL 35 11.263 9.638 2.551
239 HB VAL 35 HB VAL 35 11.459 8.454 4.709
240 HG11 VAL 35 1HG1 VAL 35 8.898 7.409 3.705
241 HG12 VAL 35 2HG1 VAL 35 9.230 8.517 5.037
242 HG13 VAL 35 3HG1 VAL 35 9.202 9.114 3.377
243 HG21 VAL 35 3HG2 VAL 35 10.447 5.967 3.386
244 HG22 VAL 35 1HG2 VAL 35 12.179 6.281 3.494
245 HG23 VAL 35 2HG2 VAL 35 11.211 6.162 4.963
246 H LYS 36 H LYS 36 13.188 9.594 4.170
247 HA LYS 36 HA LYS 36 15.492 8.326 2.839
248 HB2 LYS 36 1HB LYS 36 15.129 10.933 2.718
249 HB3 LYS 36 2HB LYS 36 15.789 10.892 4.348
250 HG2 LYS 36 1HG LYS 36 17.686 11.233 3.120
251 HG3 LYS 36 2HG LYS 36 17.676 9.471 3.225
252 HD2 LYS 36 1HD LYS 36 16.282 9.677 1.002
253 HD3 LYS 36 2HD LYS 36 17.089 11.244 0.902
254 HE2 LYS 36 1HE LYS 36 18.598 8.689 1.379
255 HE3 LYS 36 2HE LYS 36 18.223 9.267 -0.243
256 HZ1 LYS 36 3HZ LYS 36 20.190 10.301 -0.000
257 HZ2 LYS 36 1HZ LYS 36 20.134 10.285 1.691
258 HZ3 LYS 36 2HZ LYS 36 19.276 11.459 0.827
259 H SER 37 H SER 37 16.663 7.022 4.081
260 HA SER 37 HA SER 37 16.039 6.746 6.877
261 HB2 SER 37 1HB SER 37 17.956 5.314 5.035
262 HB3 SER 37 2HB SER 37 17.845 4.950 6.757
263 HG SER 37 HG SER 37 15.416 4.848 6.070
264 H GLY 38 H GLY 38 17.605 6.830 8.595
265 HA2 GLY 38 1HA GLY 38 18.978 9.173 8.865
266 HA3 GLY 38 2HA GLY 38 19.397 7.712 9.746
267 HA PRO 39 HA PRO 39 22.607 9.009 6.398
268 HB2 PRO 39 1HB PRO 39 24.199 10.688 7.818
269 HB3 PRO 39 2HB PRO 39 22.838 11.252 6.841
270 HG2 PRO 39 1HG PRO 39 22.985 10.786 9.795
271 HG3 PRO 39 2HG PRO 39 22.245 12.133 8.910
272 HD2 PRO 39 1HD PRO 39 20.796 10.078 9.915
273 HD3 PRO 39 2HD PRO 39 20.337 10.931 8.428
274 H SER 40 H SER 40 23.147 8.754 9.910
275 HA SER 40 HA SER 40 25.410 6.955 9.377
276 HB2 SER 40 1HB SER 40 25.570 9.095 10.879
277 HB3 SER 40 2HB SER 40 24.797 8.075 12.092
278 HG SER 40 HG SER 40 27.102 8.000 12.176
279 H SER 41 H SER 41 25.690 5.302 11.262
280 HA SER 41 HA SER 41 23.076 4.013 11.708
281 HB2 SER 41 1HB SER 41 25.748 2.624 11.408
282 HB3 SER 41 2HB SER 41 24.163 1.859 11.524
283 HG SER 41 HG SER 41 24.013 2.082 9.452
284 H GLY 42 H GLY 42 26.406 4.067 12.999
285 HA2 GLY 42 1HA GLY 42 27.155 3.676 15.156
286 HA3 GLY 42 2HA GLY 42 25.985 4.936 15.520
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -18.066 -28.007 2.312
2 HA2 GLY 1 1HA GLY 1 -18.654 -25.983 0.277
3 HA3 GLY 1 2HA GLY 1 -19.646 -26.361 1.677
4 H SER 2 H SER 2 -18.243 -23.864 0.492
5 HA SER 2 HA SER 2 -17.502 -22.781 3.093
6 HB2 SER 2 1HB SER 2 -15.675 -22.547 0.690
7 HB3 SER 2 2HB SER 2 -15.415 -21.807 2.269
8 HG SER 2 HG SER 2 -14.385 -23.966 1.690
9 H SER 3 H SER 3 -18.165 -20.728 3.360
10 HA SER 3 HA SER 3 -20.017 -19.539 1.716
11 HB2 SER 3 1HB SER 3 -19.573 -17.444 2.963
12 HB3 SER 3 2HB SER 3 -19.685 -18.841 4.033
13 HG SER 3 HG SER 3 -17.738 -18.419 4.664
14 H GLY 4 H GLY 4 -16.531 -18.829 1.873
15 HA2 GLY 4 1HA GLY 4 -15.686 -18.605 -0.569
16 HA3 GLY 4 2HA GLY 4 -16.795 -17.242 -0.587
17 H SER 5 H SER 5 -13.645 -18.181 -0.056
18 HA SER 5 HA SER 5 -13.074 -15.863 1.660
19 HB2 SER 5 1HB SER 5 -12.220 -17.997 2.507
20 HB3 SER 5 2HB SER 5 -11.345 -18.261 0.998
21 HG SER 5 HG SER 5 -10.003 -16.574 1.486
22 H SER 6 H SER 6 -13.565 -14.688 -0.465
23 HA SER 6 HA SER 6 -12.077 -14.724 -2.739
24 HB2 SER 6 1HB SER 6 -13.262 -12.446 -1.182
25 HB3 SER 6 2HB SER 6 -12.331 -12.125 -2.645
26 HG SER 6 HG SER 6 -14.506 -13.941 -2.543
27 H GLY 7 H GLY 7 -10.110 -13.970 -3.447
28 HA2 GLY 7 1HA GLY 7 -8.323 -12.711 -1.493
29 HA3 GLY 7 2HA GLY 7 -7.820 -14.235 -2.209
30 H GLU 8 H GLU 8 -8.733 -10.904 -2.979
31 HA GLU 8 HA GLU 8 -6.595 -10.540 -4.771
32 HB2 GLU 8 1HB GLU 8 -7.833 -10.385 -6.893
33 HB3 GLU 8 2HB GLU 8 -7.852 -12.018 -6.240
34 HG2 GLU 8 1HG GLU 8 -10.096 -11.871 -5.616
35 HG3 GLU 8 2HG GLU 8 -10.108 -10.113 -5.742
36 H LYS 9 H LYS 9 -6.379 -8.404 -5.406
37 HA LYS 9 HA LYS 9 -8.564 -6.557 -4.800
38 HB2 LYS 9 1HB LYS 9 -5.759 -6.133 -3.761
39 HB3 LYS 9 2HB LYS 9 -7.155 -5.099 -3.486
40 HG2 LYS 9 1HG LYS 9 -6.966 -7.947 -2.534
41 HG3 LYS 9 2HG LYS 9 -6.530 -6.543 -1.556
42 HD2 LYS 9 1HD LYS 9 -9.206 -6.568 -2.851
43 HD3 LYS 9 2HD LYS 9 -8.949 -7.621 -1.458
44 HE2 LYS 9 1HE LYS 9 -8.103 -4.763 -1.314
45 HE3 LYS 9 2HE LYS 9 -9.809 -5.167 -1.138
46 HZ1 LYS 9 3HZ LYS 9 -9.106 -6.759 0.634
47 HZ2 LYS 9 1HZ LYS 9 -8.868 -5.128 1.016
48 HZ3 LYS 9 2HZ LYS 9 -7.555 -6.089 0.552
49 HA PRO 10 HA PRO 10 -7.258 -4.669 -8.555
50 HB2 PRO 10 1HB PRO 10 -8.334 -2.202 -8.202
51 HB3 PRO 10 2HB PRO 10 -9.307 -3.631 -8.572
52 HG2 PRO 10 1HG PRO 10 -8.807 -2.311 -5.932
53 HG3 PRO 10 2HG PRO 10 -10.323 -2.949 -6.595
54 HD2 PRO 10 1HD PRO 10 -8.835 -4.311 -4.789
55 HD3 PRO 10 2HD PRO 10 -9.797 -5.123 -6.041
56 H TYR 11 H TYR 11 -6.399 -3.375 -5.451
57 HA TYR 11 HA TYR 11 -4.280 -1.754 -6.700
58 HB2 TYR 11 1HB TYR 11 -5.397 -1.487 -3.902
59 HB3 TYR 11 2HB TYR 11 -4.247 -0.409 -4.685
60 HD1 TYR 11 HD1 TYR 11 -5.047 0.829 -6.793
61 HD2 TYR 11 HD2 TYR 11 -7.689 -1.073 -4.054
62 HE1 TYR 11 HE1 TYR 11 -6.904 2.202 -7.641
63 HE2 TYR 11 HE2 TYR 11 -9.553 0.293 -4.894
64 HH TYR 11 HH TYR 11 -9.523 1.907 -7.721
65 H SER 12 H SER 12 -2.340 -2.649 -6.638
66 HA SER 12 HA SER 12 -1.485 -4.052 -4.215
67 HB2 SER 12 1HB SER 12 -2.241 -5.820 -5.724
68 HB3 SER 12 2HB SER 12 -1.219 -5.183 -7.012
69 HG SER 12 HG SER 12 0.119 -6.612 -6.188
70 H CYS 13 H CYS 13 0.545 -3.575 -3.624
71 HA CYS 13 HA CYS 13 2.010 -1.636 -5.177
72 HB2 CYS 13 1HB CYS 13 1.741 -1.882 -2.552
73 HB3 CYS 13 2HB CYS 13 3.162 -2.906 -2.732
74 H ALA 14 H ALA 14 4.377 -1.901 -5.533
75 HA ALA 14 HA ALA 14 4.961 -4.648 -6.423
76 HB1 ALA 14 3HB ALA 14 4.846 -3.243 -8.322
77 HB2 ALA 14 1HB ALA 14 5.817 -1.992 -7.545
78 HB3 ALA 14 2HB ALA 14 6.560 -3.520 -8.017
79 H GLU 15 H GLU 15 6.258 -1.806 -4.799
80 HA GLU 15 HA GLU 15 8.869 -2.845 -4.392
81 HB2 GLU 15 1HB GLU 15 7.377 -0.703 -2.866
82 HB3 GLU 15 2HB GLU 15 9.102 -1.023 -2.742
83 HG2 GLU 15 1HG GLU 15 9.383 -0.441 -5.096
84 HG3 GLU 15 2HG GLU 15 7.654 -0.123 -5.222
85 H CYS 16 H CYS 16 6.092 -2.497 -2.183
86 HA CYS 16 HA CYS 16 7.371 -4.349 -0.316
87 HB2 CYS 16 1HB CYS 16 5.767 -3.618 1.304
88 HB3 CYS 16 2HB CYS 16 6.368 -2.183 0.480
89 H LYS 17 H LYS 17 4.844 -4.204 -2.655
90 HA LYS 17 HA LYS 17 3.474 -5.806 -3.515
91 HB2 LYS 17 1HB LYS 17 4.869 -7.751 -1.672
92 HB3 LYS 17 2HB LYS 17 3.953 -8.135 -3.124
93 HG2 LYS 17 1HG LYS 17 6.437 -6.449 -3.187
94 HG3 LYS 17 2HG LYS 17 6.475 -8.210 -3.309
95 HD2 LYS 17 1HD LYS 17 4.786 -6.507 -5.124
96 HD3 LYS 17 2HD LYS 17 6.467 -6.901 -5.493
97 HE2 LYS 17 1HE LYS 17 4.499 -9.057 -4.820
98 HE3 LYS 17 2HE LYS 17 4.579 -8.392 -6.451
99 HZ1 LYS 17 3HZ LYS 17 6.021 -10.448 -5.743
100 HZ2 LYS 17 1HZ LYS 17 7.078 -9.249 -5.191
101 HZ3 LYS 17 2HZ LYS 17 6.622 -9.289 -6.819
102 H GLU 18 H GLU 18 2.325 -4.256 -1.688
103 HA GLU 18 HA GLU 18 0.859 -6.073 0.105
104 HB2 GLU 18 1HB GLU 18 2.157 -4.017 1.005
105 HB3 GLU 18 2HB GLU 18 0.828 -3.078 0.338
106 HG2 GLU 18 1HG GLU 18 0.559 -5.275 2.378
107 HG3 GLU 18 2HG GLU 18 0.539 -3.546 2.722
108 H THR 19 H THR 19 -1.312 -6.270 -0.052
109 HA THR 19 HA THR 19 -2.577 -5.060 -2.384
110 HB THR 19 HB THR 19 -4.465 -6.622 -1.856
111 HG1 THR 19 HG1 THR 19 -2.634 -7.661 0.069
112 HG21 THR 19 3HG2 THR 19 -1.756 -7.336 -2.678
113 HG22 THR 19 1HG2 THR 19 -3.305 -7.743 -3.415
114 HG23 THR 19 2HG2 THR 19 -2.685 -8.709 -2.076
115 H PHE 20 H PHE 20 -4.068 -3.495 -2.297
116 HA PHE 20 HA PHE 20 -5.115 -2.739 0.352
117 HB2 PHE 20 1HB PHE 20 -4.563 -0.890 -1.978
118 HB3 PHE 20 2HB PHE 20 -5.126 -0.418 -0.378
119 HD1 PHE 20 HD2 PHE 20 -2.268 -1.848 -2.232
120 HD2 PHE 20 HD1 PHE 20 -3.616 -0.060 1.388
121 HE1 PHE 20 HE2 PHE 20 0.065 -1.596 -1.492
122 HE2 PHE 20 HE1 PHE 20 -1.285 0.197 2.133
123 HZ PHE 20 HZ PHE 20 0.559 -0.573 0.694
124 H SER 21 H SER 21 -7.239 -1.777 0.384
125 HA SER 21 HA SER 21 -8.984 -2.993 -1.611
126 HB2 SER 21 1HB SER 21 -10.778 -2.628 -0.048
127 HB3 SER 21 2HB SER 21 -9.407 -3.276 0.853
128 HG SER 21 HG SER 21 -9.102 -1.369 1.801
129 H ASP 22 H ASP 22 -8.290 0.180 -0.200
130 HA ASP 22 HA ASP 22 -9.855 1.423 -2.362
131 HB2 ASP 22 1HB ASP 22 -9.097 2.413 0.386
132 HB3 ASP 22 2HB ASP 22 -9.730 3.482 -0.864
133 H ASN 23 H ASN 23 -8.964 3.074 -3.598
134 HA ASN 23 HA ASN 23 -6.224 2.867 -4.186
135 HB2 ASN 23 1HB ASN 23 -7.503 3.621 -5.976
136 HB3 ASN 23 2HB ASN 23 -8.402 4.765 -4.984
137 HD21 ASN 23 1HD2 ASN 23 -8.013 6.465 -6.380
138 HD22 ASN 23 2HD2 ASN 23 -6.460 7.210 -6.523
139 H ASN 24 H ASN 24 -8.039 5.449 -2.536
140 HA ASN 24 HA ASN 24 -6.096 7.273 -2.029
141 HB2 ASN 24 1HB ASN 24 -8.445 6.338 -0.440
142 HB3 ASN 24 2HB ASN 24 -7.309 7.446 0.324
143 HD21 ASN 24 1HD2 ASN 24 -8.985 8.995 0.417
144 HD22 ASN 24 2HD2 ASN 24 -9.427 9.908 -0.982
145 H ARG 25 H ARG 25 -6.548 4.188 -0.394
146 HA ARG 25 HA ARG 25 -4.603 4.619 1.629
147 HB2 ARG 25 1HB ARG 25 -5.730 2.054 0.493
148 HB3 ARG 25 2HB ARG 25 -4.720 2.151 1.929
149 HG2 ARG 25 1HG ARG 25 -6.530 3.795 2.786
150 HG3 ARG 25 2HG ARG 25 -7.534 3.063 1.533
151 HD2 ARG 25 1HD ARG 25 -6.708 0.822 2.580
152 HD3 ARG 25 2HD ARG 25 -6.350 1.828 3.983
153 HE ARG 25 HE ARG 25 -9.025 2.102 2.918
154 HH11 ARG 25 1HH1 ARG 25 -6.946 0.486 5.195
155 HH12 ARG 25 2HH1 ARG 25 -8.242 0.024 6.249
156 HH21 ARG 25 1HH2 ARG 25 -10.739 1.500 4.297
157 HH22 ARG 25 2HH2 ARG 25 -10.399 0.600 5.736
158 H LEU 26 H LEU 26 -4.491 3.274 -1.618
159 HA LEU 26 HA LEU 26 -1.782 2.354 -1.389
160 HB2 LEU 26 1HB LEU 26 -3.351 1.285 -2.913
161 HB3 LEU 26 2HB LEU 26 -3.527 2.793 -3.809
162 HG LEU 26 HG LEU 26 -0.943 2.522 -4.169
163 HD11 LEU 26 1HD1 LEU 26 -1.815 -0.325 -3.697
164 HD12 LEU 26 2HD1 LEU 26 -0.700 0.594 -2.687
165 HD13 LEU 26 3HD1 LEU 26 -0.259 0.192 -4.346
166 HD21 LEU 26 3HD2 LEU 26 -2.954 0.819 -5.637
167 HD22 LEU 26 1HD2 LEU 26 -1.391 1.357 -6.251
168 HD23 LEU 26 2HD2 LEU 26 -2.662 2.535 -5.922
169 H VAL 27 H VAL 27 -3.318 4.968 -3.272
170 HA VAL 27 HA VAL 27 -1.040 6.155 -4.280
171 HB VAL 27 HB VAL 27 -3.339 6.803 -4.917
172 HG11 VAL 27 1HG1 VAL 27 -3.795 7.067 -2.246
173 HG12 VAL 27 2HG1 VAL 27 -3.631 8.750 -2.748
174 HG13 VAL 27 3HG1 VAL 27 -4.834 7.713 -3.515
175 HG21 VAL 27 3HG2 VAL 27 -2.122 9.352 -4.015
176 HG22 VAL 27 1HG2 VAL 27 -1.143 8.300 -5.037
177 HG23 VAL 27 2HG2 VAL 27 -2.708 8.877 -5.609
178 H GLN 28 H GLN 28 -2.370 6.327 -1.059
179 HA GLN 28 HA GLN 28 -0.608 8.489 -0.266
180 HB2 GLN 28 1HB GLN 28 -2.750 6.896 1.096
181 HB3 GLN 28 2HB GLN 28 -1.616 7.837 2.056
182 HG2 GLN 28 1HG GLN 28 -3.149 9.077 -0.197
183 HG3 GLN 28 2HG GLN 28 -3.850 8.905 1.412
184 HE21 GLN 28 1HE2 GLN 28 -1.579 10.583 -0.555
185 HE22 GLN 28 2HE2 GLN 28 -1.104 11.760 0.616
186 H HIS 29 H HIS 29 -0.895 5.006 0.183
187 HA HIS 29 HA HIS 29 1.152 4.717 2.101
188 HB2 HIS 29 1HB HIS 29 -0.146 2.820 1.972
189 HB3 HIS 29 2HB HIS 29 -0.268 2.892 0.217
190 HD1 HIS 29 HD1 HIS 29 1.719 1.423 2.963
191 HD2 HIS 29 HD2 HIS 29 1.969 1.784 -1.168
192 HE1 HIS 29 HE1 HIS 29 3.487 -0.217 2.252
193 H GLN 30 H GLN 30 1.181 4.552 -1.439
194 HA GLN 30 HA GLN 30 3.779 3.724 -1.866
195 HB2 GLN 30 1HB GLN 30 2.074 5.659 -3.432
196 HB3 GLN 30 2HB GLN 30 3.633 5.079 -4.001
197 HG2 GLN 30 1HG GLN 30 2.724 2.747 -3.786
198 HG3 GLN 30 2HG GLN 30 1.144 3.474 -3.501
199 HE21 GLN 30 1HE2 GLN 30 0.751 2.089 -5.459
200 HE22 GLN 30 2HE2 GLN 30 0.968 2.837 -7.001
201 H LYS 31 H LYS 31 2.607 6.814 -0.783
202 HA LYS 31 HA LYS 31 4.761 8.464 -1.375
203 HB2 LYS 31 1HB LYS 31 3.115 8.557 1.158
204 HB3 LYS 31 2HB LYS 31 3.995 9.890 0.422
205 HG2 LYS 31 1HG LYS 31 1.912 8.533 -1.199
206 HG3 LYS 31 2HG LYS 31 1.394 9.596 0.111
207 HD2 LYS 31 1HD LYS 31 2.266 11.475 -0.887
208 HD3 LYS 31 2HD LYS 31 3.479 10.562 -1.788
209 HE2 LYS 31 1HE LYS 31 0.572 10.199 -2.389
210 HE3 LYS 31 2HE LYS 31 1.440 11.591 -3.036
211 HZ1 LYS 31 3HZ LYS 31 3.121 9.684 -3.713
212 HZ2 LYS 31 1HZ LYS 31 1.819 10.125 -4.699
213 HZ3 LYS 31 2HZ LYS 31 1.702 8.763 -3.703
214 H MET 32 H MET 32 4.340 6.150 1.243
215 HA MET 32 HA MET 32 6.576 6.903 2.780
216 HB2 MET 32 1HB MET 32 4.841 4.496 2.582
217 HB3 MET 32 2HB MET 32 6.394 4.306 3.386
218 HG2 MET 32 1HG MET 32 5.842 5.808 5.076
219 HG3 MET 32 2HG MET 32 4.520 6.510 4.146
220 HE1 MET 32 3HE MET 32 1.760 5.190 6.005
221 HE2 MET 32 1HE MET 32 3.088 5.885 6.934
222 HE3 MET 32 2HE MET 32 2.695 6.530 5.341
223 H HIS 33 H HIS 33 6.298 5.204 -0.195
224 HA HIS 33 HA HIS 33 8.884 3.923 -0.001
225 HB2 HIS 33 1HB HIS 33 6.794 4.106 -2.160
226 HB3 HIS 33 2HB HIS 33 8.385 3.422 -2.480
227 HD1 HIS 33 HD1 HIS 33 8.994 1.473 -0.494
228 HD2 HIS 33 HD2 HIS 33 5.031 2.176 -1.523
229 HE1 HIS 33 HE1 HIS 33 7.738 -0.583 0.227
230 H THR 34 H THR 34 8.516 6.922 0.094
231 HA THR 34 HA THR 34 10.000 7.748 -2.286
232 HB THR 34 HB THR 34 8.078 9.129 -1.593
233 HG1 THR 34 HG1 THR 34 9.204 10.720 -2.398
234 HG21 THR 34 3HG2 THR 34 7.869 10.140 0.455
235 HG22 THR 34 1HG2 THR 34 9.609 10.171 0.740
236 HG23 THR 34 2HG2 THR 34 8.710 8.666 0.933
237 H VAL 35 H VAL 35 12.025 8.704 -2.209
238 HA VAL 35 HA VAL 35 13.619 7.993 0.124
239 HB VAL 35 HB VAL 35 14.619 7.319 -1.915
240 HG11 VAL 35 1HG1 VAL 35 15.198 9.535 -3.438
241 HG12 VAL 35 2HG1 VAL 35 13.923 8.360 -3.765
242 HG13 VAL 35 3HG1 VAL 35 13.551 9.846 -2.890
243 HG21 VAL 35 3HG2 VAL 35 16.740 8.358 -1.819
244 HG22 VAL 35 1HG2 VAL 35 16.052 9.876 -1.242
245 HG23 VAL 35 2HG2 VAL 35 16.077 8.462 -0.188
246 H LYS 36 H LYS 36 13.665 9.447 1.711
247 HA LYS 36 HA LYS 36 13.626 12.301 1.060
248 HB2 LYS 36 1HB LYS 36 13.211 12.622 3.478
249 HB3 LYS 36 2HB LYS 36 12.005 11.594 2.717
250 HG2 LYS 36 1HG LYS 36 12.803 9.675 3.751
251 HG3 LYS 36 2HG LYS 36 14.371 10.403 4.107
252 HD2 LYS 36 1HD LYS 36 13.519 11.661 5.878
253 HD3 LYS 36 2HD LYS 36 11.853 11.495 5.316
254 HE2 LYS 36 1HE LYS 36 12.308 8.942 5.735
255 HE3 LYS 36 2HE LYS 36 13.564 9.558 6.806
256 HZ1 LYS 36 3HZ LYS 36 12.013 10.588 8.165
257 HZ2 LYS 36 1HZ LYS 36 11.250 9.130 7.770
258 HZ3 LYS 36 2HZ LYS 36 10.795 10.561 6.991
259 H SER 37 H SER 37 15.634 9.821 2.488
260 HA SER 37 HA SER 37 17.701 11.810 3.110
261 HB2 SER 37 1HB SER 37 16.921 10.015 4.798
262 HB3 SER 37 2HB SER 37 17.848 8.885 3.813
263 HG SER 37 HG SER 37 19.609 10.529 4.115
264 H GLY 38 H GLY 38 18.314 12.163 0.920
265 HA2 GLY 38 1HA GLY 38 20.558 11.133 -0.040
266 HA3 GLY 38 2HA GLY 38 19.418 9.897 -0.552
267 HA PRO 39 HA PRO 39 19.734 13.386 -3.709
268 HB2 PRO 39 1HB PRO 39 20.767 11.894 -5.729
269 HB3 PRO 39 2HB PRO 39 21.774 12.738 -4.546
270 HG2 PRO 39 1HG PRO 39 20.969 9.856 -4.636
271 HG3 PRO 39 2HG PRO 39 22.551 10.565 -4.263
272 HD2 PRO 39 1HD PRO 39 20.858 9.690 -2.340
273 HD3 PRO 39 2HD PRO 39 21.959 11.060 -2.092
274 H SER 40 H SER 40 18.270 13.694 -5.369
275 HA SER 40 HA SER 40 15.919 12.217 -5.371
276 HB2 SER 40 1HB SER 40 15.295 13.486 -7.366
277 HB3 SER 40 2HB SER 40 16.098 14.540 -6.201
278 HG SER 40 HG SER 40 18.070 14.009 -7.481
279 H SER 41 H SER 41 15.379 10.318 -6.204
280 HA SER 41 HA SER 41 15.544 8.328 -7.307
281 HB2 SER 41 1HB SER 41 16.159 10.340 -9.464
282 HB3 SER 41 2HB SER 41 16.073 8.614 -9.813
283 HG SER 41 HG SER 41 13.962 8.628 -9.471
284 H GLY 42 H GLY 42 17.737 8.732 -5.746
285 HA2 GLY 42 1HA GLY 42 20.166 8.391 -7.265
286 HA3 GLY 42 2HA GLY 42 20.007 8.318 -5.517
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -11.357 -28.509 -5.207
2 HA2 GLY 1 1HA GLY 1 -13.813 -27.471 -6.317
3 HA3 GLY 1 2HA GLY 1 -13.453 -27.707 -4.613
4 H SER 2 H SER 2 -14.700 -25.427 -5.981
5 HA SER 2 HA SER 2 -12.702 -23.318 -5.656
6 HB2 SER 2 1HB SER 2 -15.500 -23.342 -6.791
7 HB3 SER 2 2HB SER 2 -14.604 -21.849 -6.512
8 HG SER 2 HG SER 2 -12.898 -23.053 -7.812
9 H SER 3 H SER 3 -13.385 -24.616 -3.297
10 HA SER 3 HA SER 3 -15.422 -23.160 -1.894
11 HB2 SER 3 1HB SER 3 -13.378 -25.220 -1.125
12 HB3 SER 3 2HB SER 3 -14.245 -24.331 0.126
13 HG SER 3 HG SER 3 -15.684 -25.842 -0.192
14 H GLY 4 H GLY 4 -11.892 -23.396 -1.386
15 HA2 GLY 4 1HA GLY 4 -11.780 -21.141 0.328
16 HA3 GLY 4 2HA GLY 4 -10.407 -21.912 -0.452
17 H SER 5 H SER 5 -12.369 -19.173 -0.345
18 HA SER 5 HA SER 5 -11.841 -18.295 -3.050
19 HB2 SER 5 1HB SER 5 -13.338 -17.207 -0.705
20 HB3 SER 5 2HB SER 5 -12.813 -16.082 -1.956
21 HG SER 5 HG SER 5 -14.057 -18.427 -2.794
22 H SER 6 H SER 6 -9.741 -17.886 -3.440
23 HA SER 6 HA SER 6 -8.414 -15.914 -1.701
24 HB2 SER 6 1HB SER 6 -7.337 -18.490 -2.812
25 HB3 SER 6 2HB SER 6 -6.247 -17.146 -2.469
26 HG SER 6 HG SER 6 -6.997 -18.891 -0.763
27 H GLY 7 H GLY 7 -8.970 -14.221 -3.090
28 HA2 GLY 7 1HA GLY 7 -7.813 -14.359 -5.801
29 HA3 GLY 7 2HA GLY 7 -9.139 -13.306 -5.329
30 H GLU 8 H GLU 8 -8.014 -11.499 -6.162
31 HA GLU 8 HA GLU 8 -6.066 -10.420 -4.273
32 HB2 GLU 8 1HB GLU 8 -5.559 -11.004 -7.145
33 HB3 GLU 8 2HB GLU 8 -4.916 -9.500 -6.502
34 HG2 GLU 8 1HG GLU 8 -3.466 -10.568 -5.074
35 HG3 GLU 8 2HG GLU 8 -4.423 -12.047 -5.037
36 H LYS 9 H LYS 9 -5.962 -8.145 -4.234
37 HA LYS 9 HA LYS 9 -8.399 -6.867 -5.155
38 HB2 LYS 9 1HB LYS 9 -6.129 -5.767 -3.486
39 HB3 LYS 9 2HB LYS 9 -7.670 -4.971 -3.777
40 HG2 LYS 9 1HG LYS 9 -7.392 -7.633 -2.404
41 HG3 LYS 9 2HG LYS 9 -7.476 -6.085 -1.560
42 HD2 LYS 9 1HD LYS 9 -9.594 -6.717 -3.550
43 HD3 LYS 9 2HD LYS 9 -9.635 -7.554 -1.997
44 HE2 LYS 9 1HE LYS 9 -10.872 -5.718 -1.459
45 HE3 LYS 9 2HE LYS 9 -9.265 -5.097 -1.082
46 HZ1 LYS 9 3HZ LYS 9 -10.631 -3.558 -2.416
47 HZ2 LYS 9 1HZ LYS 9 -10.647 -4.686 -3.676
48 HZ3 LYS 9 2HZ LYS 9 -9.187 -3.988 -3.184
49 HA PRO 10 HA PRO 10 -6.707 -4.799 -8.640
50 HB2 PRO 10 1HB PRO 10 -8.138 -2.492 -8.614
51 HB3 PRO 10 2HB PRO 10 -8.835 -4.050 -9.074
52 HG2 PRO 10 1HG PRO 10 -8.998 -2.599 -6.461
53 HG3 PRO 10 2HG PRO 10 -10.273 -3.456 -7.345
54 HD2 PRO 10 1HD PRO 10 -8.976 -4.550 -5.236
55 HD3 PRO 10 2HD PRO 10 -9.581 -5.522 -6.593
56 H TYR 11 H TYR 11 -6.156 -3.766 -5.514
57 HA TYR 11 HA TYR 11 -4.345 -1.632 -6.438
58 HB2 TYR 11 1HB TYR 11 -5.714 -1.843 -3.748
59 HB3 TYR 11 2HB TYR 11 -4.624 -0.558 -4.254
60 HD1 TYR 11 HD1 TYR 11 -5.369 0.612 -6.550
61 HD2 TYR 11 HD2 TYR 11 -7.974 -1.414 -3.864
62 HE1 TYR 11 HE1 TYR 11 -7.275 1.879 -7.451
63 HE2 TYR 11 HE2 TYR 11 -9.887 -0.154 -4.759
64 HH TYR 11 HH TYR 11 -10.546 1.462 -6.134
65 H SER 12 H SER 12 -2.427 -2.654 -6.584
66 HA SER 12 HA SER 12 -1.433 -3.981 -4.150
67 HB2 SER 12 1HB SER 12 -1.971 -5.598 -6.012
68 HB3 SER 12 2HB SER 12 -0.711 -4.815 -6.966
69 HG SER 12 HG SER 12 -0.265 -5.930 -4.398
70 H CYS 13 H CYS 13 0.906 -3.937 -3.902
71 HA CYS 13 HA CYS 13 2.084 -1.547 -5.159
72 HB2 CYS 13 1HB CYS 13 1.662 -1.511 -2.652
73 HB3 CYS 13 2HB CYS 13 2.907 -2.748 -2.515
74 H ALA 14 H ALA 14 3.723 -1.888 -6.494
75 HA ALA 14 HA ALA 14 4.965 -4.505 -6.631
76 HB1 ALA 14 3HB ALA 14 4.329 -2.575 -8.512
77 HB2 ALA 14 1HB ALA 14 6.089 -2.508 -8.404
78 HB3 ALA 14 2HB ALA 14 5.285 -4.032 -8.783
79 H GLU 15 H GLU 15 5.474 -2.615 -4.361
80 HA GLU 15 HA GLU 15 8.404 -2.453 -4.638
81 HB2 GLU 15 1HB GLU 15 7.557 -0.219 -4.492
82 HB3 GLU 15 2HB GLU 15 6.509 -0.641 -3.144
83 HG2 GLU 15 1HG GLU 15 8.175 0.379 -2.002
84 HG3 GLU 15 2HG GLU 15 8.813 -1.264 -2.014
85 H CYS 16 H CYS 16 5.698 -3.112 -2.471
86 HA CYS 16 HA CYS 16 7.523 -4.711 -0.805
87 HB2 CYS 16 1HB CYS 16 6.258 -4.057 1.185
88 HB3 CYS 16 2HB CYS 16 6.929 -2.641 0.383
89 H LYS 17 H LYS 17 4.918 -4.723 -2.824
90 HA LYS 17 HA LYS 17 3.363 -6.287 -3.382
91 HB2 LYS 17 1HB LYS 17 4.876 -8.019 -1.418
92 HB3 LYS 17 2HB LYS 17 3.681 -8.595 -2.573
93 HG2 LYS 17 1HG LYS 17 6.193 -7.165 -3.396
94 HG3 LYS 17 2HG LYS 17 6.089 -8.918 -3.220
95 HD2 LYS 17 1HD LYS 17 4.207 -7.351 -4.967
96 HD3 LYS 17 2HD LYS 17 5.745 -7.984 -5.558
97 HE2 LYS 17 1HE LYS 17 3.893 -9.832 -4.138
98 HE3 LYS 17 2HE LYS 17 3.503 -9.359 -5.790
99 HZ1 LYS 17 3HZ LYS 17 5.294 -10.454 -6.628
100 HZ2 LYS 17 1HZ LYS 17 5.003 -11.433 -5.279
101 HZ3 LYS 17 2HZ LYS 17 6.228 -10.267 -5.229
102 H GLU 18 H GLU 18 2.360 -4.472 -1.767
103 HA GLU 18 HA GLU 18 0.860 -5.972 0.279
104 HB2 GLU 18 1HB GLU 18 2.393 -4.047 1.016
105 HB3 GLU 18 2HB GLU 18 1.211 -2.982 0.267
106 HG2 GLU 18 1HG GLU 18 -0.454 -3.556 1.799
107 HG3 GLU 18 2HG GLU 18 0.407 -4.999 2.329
108 H THR 19 H THR 19 -1.259 -6.176 -0.013
109 HA THR 19 HA THR 19 -2.511 -4.820 -2.260
110 HB THR 19 HB THR 19 -4.420 -6.316 -1.855
111 HG1 THR 19 HG1 THR 19 -3.768 -8.063 -0.192
112 HG21 THR 19 3HG2 THR 19 -1.888 -7.940 -1.742
113 HG22 THR 19 1HG2 THR 19 -2.364 -7.024 -3.171
114 HG23 THR 19 2HG2 THR 19 -3.395 -8.324 -2.573
115 H PHE 20 H PHE 20 -4.462 -3.638 -2.102
116 HA PHE 20 HA PHE 20 -5.215 -2.728 0.582
117 HB2 PHE 20 1HB PHE 20 -4.652 -0.904 -1.765
118 HB3 PHE 20 2HB PHE 20 -5.316 -0.393 -0.217
119 HD1 PHE 20 HD2 PHE 20 -2.327 -1.717 -1.907
120 HD2 PHE 20 HD1 PHE 20 -3.924 -0.067 1.676
121 HE1 PHE 20 HE2 PHE 20 -0.046 -1.402 -1.040
122 HE2 PHE 20 HE1 PHE 20 -1.646 0.252 2.549
123 HZ PHE 20 HZ PHE 20 0.297 -0.417 1.191
124 H SER 21 H SER 21 -7.328 -1.696 0.666
125 HA SER 21 HA SER 21 -9.192 -3.036 -1.092
126 HB2 SER 21 1HB SER 21 -10.918 -2.151 0.409
127 HB3 SER 21 2HB SER 21 -9.626 -2.916 1.334
128 HG SER 21 HG SER 21 -9.790 -1.049 2.359
129 H ASP 22 H ASP 22 -8.496 0.334 -0.183
130 HA ASP 22 HA ASP 22 -9.927 1.208 -2.601
131 HB2 ASP 22 1HB ASP 22 -10.707 2.108 -0.397
132 HB3 ASP 22 2HB ASP 22 -9.135 2.882 -0.210
133 H ASN 23 H ASN 23 -9.005 3.251 -3.596
134 HA ASN 23 HA ASN 23 -6.266 2.746 -4.285
135 HB2 ASN 23 1HB ASN 23 -7.691 3.464 -6.057
136 HB3 ASN 23 2HB ASN 23 -8.249 4.857 -5.134
137 HD21 ASN 23 1HD2 ASN 23 -7.177 6.726 -5.295
138 HD22 ASN 23 2HD2 ASN 23 -5.712 6.950 -6.184
139 H ASN 24 H ASN 24 -8.007 5.369 -2.642
140 HA ASN 24 HA ASN 24 -6.082 7.222 -2.227
141 HB2 ASN 24 1HB ASN 24 -8.323 6.235 -0.524
142 HB3 ASN 24 2HB ASN 24 -7.160 7.338 0.205
143 HD21 ASN 24 1HD2 ASN 24 -6.583 9.163 -1.533
144 HD22 ASN 24 2HD2 ASN 24 -7.978 9.987 -2.133
145 H ARG 25 H ARG 25 -6.550 4.331 -0.199
146 HA ARG 25 HA ARG 25 -4.426 4.759 1.554
147 HB2 ARG 25 1HB ARG 25 -5.437 2.081 0.581
148 HB3 ARG 25 2HB ARG 25 -4.571 2.395 2.078
149 HG2 ARG 25 1HG ARG 25 -6.396 3.338 3.100
150 HG3 ARG 25 2HG ARG 25 -7.143 3.807 1.571
151 HD2 ARG 25 1HD ARG 25 -8.480 2.044 2.190
152 HD3 ARG 25 2HD ARG 25 -7.282 1.224 1.191
153 HE ARG 25 HE ARG 25 -6.484 0.154 3.065
154 HH11 ARG 25 1HH1 ARG 25 -8.664 2.702 4.000
155 HH12 ARG 25 2HH1 ARG 25 -8.742 2.204 5.658
156 HH21 ARG 25 1HH2 ARG 25 -6.577 -0.511 5.244
157 HH22 ARG 25 2HH2 ARG 25 -7.553 0.378 6.365
158 H LEU 26 H LEU 26 -4.501 2.955 -1.506
159 HA LEU 26 HA LEU 26 -1.854 2.064 -1.487
160 HB2 LEU 26 1HB LEU 26 -3.552 1.234 -3.034
161 HB3 LEU 26 2HB LEU 26 -3.584 2.798 -3.845
162 HG LEU 26 HG LEU 26 -1.114 2.367 -4.372
163 HD11 LEU 26 1HD1 LEU 26 -0.268 0.580 -3.328
164 HD12 LEU 26 2HD1 LEU 26 -1.079 -0.354 -4.584
165 HD13 LEU 26 3HD1 LEU 26 -1.859 -0.115 -3.021
166 HD21 LEU 26 3HD2 LEU 26 -2.930 0.401 -5.709
167 HD22 LEU 26 1HD2 LEU 26 -1.682 1.431 -6.411
168 HD23 LEU 26 2HD2 LEU 26 -3.209 2.135 -5.879
169 H VAL 27 H VAL 27 -3.234 4.970 -3.016
170 HA VAL 27 HA VAL 27 -0.913 6.026 -4.095
171 HB VAL 27 HB VAL 27 -3.246 7.534 -2.908
172 HG11 VAL 27 1HG1 VAL 27 -1.865 9.292 -3.176
173 HG12 VAL 27 2HG1 VAL 27 -0.790 8.415 -4.267
174 HG13 VAL 27 3HG1 VAL 27 -2.288 9.119 -4.879
175 HG21 VAL 27 3HG2 VAL 27 -3.606 5.825 -4.803
176 HG22 VAL 27 1HG2 VAL 27 -4.267 7.449 -5.000
177 HG23 VAL 27 2HG2 VAL 27 -2.771 7.000 -5.820
178 H GLN 28 H GLN 28 -2.369 6.946 -0.967
179 HA GLN 28 HA GLN 28 -0.268 8.543 -0.080
180 HB2 GLN 28 1HB GLN 28 -2.342 6.951 1.418
181 HB3 GLN 28 2HB GLN 28 -1.178 7.982 2.239
182 HG2 GLN 28 1HG GLN 28 -2.013 9.900 0.919
183 HG3 GLN 28 2HG GLN 28 -3.243 8.843 0.228
184 HE21 GLN 28 1HE2 GLN 28 -2.929 11.203 2.325
185 HE22 GLN 28 2HE2 GLN 28 -4.088 10.755 3.525
186 H HIS 29 H HIS 29 -0.706 5.070 0.058
187 HA HIS 29 HA HIS 29 1.388 4.524 1.889
188 HB2 HIS 29 1HB HIS 29 -0.157 2.782 1.631
189 HB3 HIS 29 2HB HIS 29 -0.112 2.876 -0.127
190 HD1 HIS 29 HD1 HIS 29 1.845 1.558 2.801
191 HD2 HIS 29 HD2 HIS 29 1.834 1.330 -1.347
192 HE1 HIS 29 HE1 HIS 29 3.476 -0.267 2.223
193 H GLN 30 H GLN 30 1.233 4.544 -1.656
194 HA GLN 30 HA GLN 30 3.832 3.671 -2.170
195 HB2 GLN 30 1HB GLN 30 2.030 5.518 -3.735
196 HB3 GLN 30 2HB GLN 30 3.565 4.918 -4.349
197 HG2 GLN 30 1HG GLN 30 2.526 2.585 -3.752
198 HG3 GLN 30 2HG GLN 30 1.009 3.473 -3.886
199 HE21 GLN 30 1HE2 GLN 30 0.150 2.930 -5.765
200 HE22 GLN 30 2HE2 GLN 30 0.963 2.940 -7.289
201 H LYS 31 H LYS 31 2.672 6.705 -1.010
202 HA LYS 31 HA LYS 31 4.907 8.295 -1.771
203 HB2 LYS 31 1HB LYS 31 2.727 8.639 0.279
204 HB3 LYS 31 2HB LYS 31 4.015 9.820 0.084
205 HG2 LYS 31 1HG LYS 31 3.321 10.375 -2.093
206 HG3 LYS 31 2HG LYS 31 2.276 8.957 -2.205
207 HD2 LYS 31 1HD LYS 31 0.741 10.624 -1.782
208 HD3 LYS 31 2HD LYS 31 1.076 10.039 -0.151
209 HE2 LYS 31 1HE LYS 31 2.711 12.267 -1.279
210 HE3 LYS 31 2HE LYS 31 1.088 12.605 -0.678
211 HZ1 LYS 31 3HZ LYS 31 3.261 12.628 0.855
212 HZ2 LYS 31 1HZ LYS 31 2.775 11.022 1.074
213 HZ3 LYS 31 2HZ LYS 31 1.712 12.284 1.443
214 H MET 32 H MET 32 4.013 6.602 1.219
215 HA MET 32 HA MET 32 6.101 7.420 2.843
216 HB2 MET 32 1HB MET 32 4.781 4.701 2.759
217 HB3 MET 32 2HB MET 32 5.743 5.324 4.092
218 HG2 MET 32 1HG MET 32 4.078 7.213 4.245
219 HG3 MET 32 2HG MET 32 3.072 6.293 3.128
220 HE1 MET 32 3HE MET 32 1.971 3.710 3.937
221 HE2 MET 32 1HE MET 32 1.014 4.268 5.310
222 HE3 MET 32 2HE MET 32 1.229 5.310 3.903
223 H HIS 33 H HIS 33 6.090 5.129 0.219
224 HA HIS 33 HA HIS 33 8.529 3.825 0.835
225 HB2 HIS 33 1HB HIS 33 6.784 4.053 -1.573
226 HB3 HIS 33 2HB HIS 33 8.429 3.464 -1.795
227 HD1 HIS 33 HD1 HIS 33 8.707 1.712 0.710
228 HD2 HIS 33 HD2 HIS 33 5.356 1.745 -1.746
229 HE1 HIS 33 HE1 HIS 33 7.577 -0.504 1.083
230 H THR 34 H THR 34 7.751 6.844 -0.689
231 HA THR 34 HA THR 34 9.748 7.534 -2.308
232 HB THR 34 HB THR 34 8.010 9.099 -1.367
233 HG1 THR 34 HG1 THR 34 10.679 10.103 -1.403
234 HG21 THR 34 3HG2 THR 34 9.853 10.138 0.653
235 HG22 THR 34 1HG2 THR 34 9.190 8.553 1.046
236 HG23 THR 34 2HG2 THR 34 8.107 9.907 0.726
237 H VAL 35 H VAL 35 11.885 8.263 -2.204
238 HA VAL 35 HA VAL 35 13.357 7.327 0.162
239 HB VAL 35 HB VAL 35 15.334 7.229 -1.275
240 HG11 VAL 35 1HG1 VAL 35 12.916 5.671 -1.687
241 HG12 VAL 35 2HG1 VAL 35 13.993 5.636 -3.085
242 HG13 VAL 35 3HG1 VAL 35 14.586 5.138 -1.500
243 HG21 VAL 35 3HG2 VAL 35 14.705 7.409 -3.836
244 HG22 VAL 35 1HG2 VAL 35 13.493 8.529 -3.214
245 HG23 VAL 35 2HG2 VAL 35 15.205 8.823 -2.909
246 H LYS 36 H LYS 36 13.832 8.901 1.543
247 HA LYS 36 HA LYS 36 15.126 11.314 0.546
248 HB2 LYS 36 1HB LYS 36 13.708 12.817 1.807
249 HB3 LYS 36 2HB LYS 36 12.719 11.875 0.700
250 HG2 LYS 36 1HG LYS 36 11.924 10.490 2.468
251 HG3 LYS 36 2HG LYS 36 13.077 11.189 3.607
252 HD2 LYS 36 1HD LYS 36 11.044 12.248 4.100
253 HD3 LYS 36 2HD LYS 36 11.928 13.422 3.123
254 HE2 LYS 36 1HE LYS 36 10.688 12.538 1.125
255 HE3 LYS 36 2HE LYS 36 9.696 11.601 2.241
256 HZ1 LYS 36 3HZ LYS 36 8.573 13.628 1.723
257 HZ2 LYS 36 1HZ LYS 36 9.930 14.558 2.122
258 HZ3 LYS 36 2HZ LYS 36 9.093 13.721 3.330
259 H SER 37 H SER 37 16.714 12.029 1.862
260 HA SER 37 HA SER 37 17.140 10.533 4.348
261 HB2 SER 37 1HB SER 37 19.475 11.256 4.179
262 HB3 SER 37 2HB SER 37 18.959 10.486 2.678
263 HG SER 37 HG SER 37 18.412 12.909 2.211
264 H GLY 38 H GLY 38 16.736 11.469 6.234
265 HA2 GLY 38 1HA GLY 38 17.010 13.197 7.836
266 HA3 GLY 38 2HA GLY 38 17.158 14.355 6.523
267 HA PRO 39 HA PRO 39 12.894 14.667 8.371
268 HB2 PRO 39 1HB PRO 39 12.967 17.359 8.715
269 HB3 PRO 39 2HB PRO 39 13.563 16.219 9.927
270 HG2 PRO 39 1HG PRO 39 15.094 17.793 7.893
271 HG3 PRO 39 2HG PRO 39 15.476 17.500 9.600
272 HD2 PRO 39 1HD PRO 39 16.646 16.118 7.586
273 HD3 PRO 39 2HD PRO 39 16.327 15.400 9.178
274 H SER 40 H SER 40 11.256 16.560 7.676
275 HA SER 40 HA SER 40 11.141 16.383 4.786
276 HB2 SER 40 1HB SER 40 9.171 17.646 6.707
277 HB3 SER 40 2HB SER 40 8.878 17.255 5.012
278 HG SER 40 HG SER 40 8.773 15.649 7.210
279 H SER 41 H SER 41 11.602 17.963 3.391
280 HA SER 41 HA SER 41 12.277 19.965 2.549
281 HB2 SER 41 1HB SER 41 10.610 20.927 4.875
282 HB3 SER 41 2HB SER 41 11.373 22.034 3.735
283 HG SER 41 HG SER 41 9.351 20.123 3.263
284 H GLY 42 H GLY 42 14.130 18.604 4.105
285 HA2 GLY 42 1HA GLY 42 16.005 18.869 5.440
286 HA3 GLY 42 2HA GLY 42 16.206 20.293 4.430
Start of MODEL 6
1 H1 GLY 1 H GLY 1 3.162 -13.903 2.144
2 HA2 GLY 1 1HA GLY 1 0.978 -12.465 2.771
3 HA3 GLY 1 2HA GLY 1 0.880 -13.876 1.728
4 H SER 2 H SER 2 -0.704 -12.536 4.110
5 HA SER 2 HA SER 2 -0.933 -14.687 5.995
6 HB2 SER 2 1HB SER 2 -2.699 -12.264 5.571
7 HB3 SER 2 2HB SER 2 -2.771 -13.352 6.956
8 HG SER 2 HG SER 2 -1.414 -11.911 7.726
9 H SER 3 H SER 3 -2.478 -16.247 6.144
10 HA SER 3 HA SER 3 -3.699 -17.193 3.818
11 HB2 SER 3 1HB SER 3 -4.270 -17.789 6.727
12 HB3 SER 3 2HB SER 3 -5.012 -18.670 5.392
13 HG SER 3 HG SER 3 -2.321 -18.610 6.209
14 H GLY 4 H GLY 4 -5.559 -16.748 2.815
15 HA2 GLY 4 1HA GLY 4 -7.638 -15.278 4.298
16 HA3 GLY 4 2HA GLY 4 -7.077 -14.677 2.745
17 H SER 5 H SER 5 -9.344 -14.859 2.129
18 HA SER 5 HA SER 5 -10.132 -17.630 1.513
19 HB2 SER 5 1HB SER 5 -11.632 -16.153 3.002
20 HB3 SER 5 2HB SER 5 -12.017 -15.279 1.519
21 HG SER 5 HG SER 5 -12.204 -18.054 1.437
22 H SER 6 H SER 6 -8.300 -16.584 -0.169
23 HA SER 6 HA SER 6 -7.860 -16.215 -2.370
24 HB2 SER 6 1HB SER 6 -9.478 -18.079 -2.676
25 HB3 SER 6 2HB SER 6 -10.781 -16.896 -2.789
26 HG SER 6 HG SER 6 -9.009 -17.692 -4.679
27 H GLY 7 H GLY 7 -8.329 -13.961 -0.874
28 HA2 GLY 7 1HA GLY 7 -10.074 -12.258 -2.511
29 HA3 GLY 7 2HA GLY 7 -9.432 -11.849 -0.927
30 H GLU 8 H GLU 8 -9.209 -11.151 -4.124
31 HA GLU 8 HA GLU 8 -6.418 -10.241 -3.854
32 HB2 GLU 8 1HB GLU 8 -6.185 -10.434 -6.271
33 HB3 GLU 8 2HB GLU 8 -6.659 -11.978 -5.576
34 HG2 GLU 8 1HG GLU 8 -9.062 -11.235 -6.172
35 HG3 GLU 8 2HG GLU 8 -8.261 -10.088 -7.243
36 H LYS 9 H LYS 9 -6.245 -8.118 -3.672
37 HA LYS 9 HA LYS 9 -8.452 -6.397 -4.449
38 HB2 LYS 9 1HB LYS 9 -5.961 -6.055 -2.825
39 HB3 LYS 9 2HB LYS 9 -6.765 -4.631 -3.473
40 HG2 LYS 9 1HG LYS 9 -7.738 -4.784 -1.410
41 HG3 LYS 9 2HG LYS 9 -8.889 -5.700 -2.386
42 HD2 LYS 9 1HD LYS 9 -7.497 -7.757 -1.736
43 HD3 LYS 9 2HD LYS 9 -6.795 -6.722 -0.490
44 HE2 LYS 9 1HE LYS 9 -8.549 -7.736 0.630
45 HE3 LYS 9 2HE LYS 9 -9.258 -6.204 0.120
46 HZ1 LYS 9 3HZ LYS 9 -10.717 -8.119 -0.287
47 HZ2 LYS 9 1HZ LYS 9 -9.563 -8.774 -1.337
48 HZ3 LYS 9 2HZ LYS 9 -10.316 -7.308 -1.717
49 HA PRO 10 HA PRO 10 -6.726 -5.130 -8.294
50 HB2 PRO 10 1HB PRO 10 -7.934 -2.711 -8.539
51 HB3 PRO 10 2HB PRO 10 -8.793 -4.240 -8.759
52 HG2 PRO 10 1HG PRO 10 -8.704 -2.445 -6.365
53 HG3 PRO 10 2HG PRO 10 -10.092 -3.284 -7.084
54 HD2 PRO 10 1HD PRO 10 -8.809 -4.209 -4.886
55 HD3 PRO 10 2HD PRO 10 -9.561 -5.289 -6.078
56 H TYR 11 H TYR 11 -6.171 -3.475 -5.356
57 HA TYR 11 HA TYR 11 -4.170 -1.726 -6.617
58 HB2 TYR 11 1HB TYR 11 -5.309 -1.544 -3.821
59 HB3 TYR 11 2HB TYR 11 -4.259 -0.370 -4.608
60 HD1 TYR 11 HD1 TYR 11 -5.213 0.559 -6.910
61 HD2 TYR 11 HD2 TYR 11 -7.577 -1.120 -3.797
62 HE1 TYR 11 HE1 TYR 11 -7.184 1.753 -7.771
63 HE2 TYR 11 HE2 TYR 11 -9.554 0.067 -4.650
64 HH TYR 11 HH TYR 11 -9.310 2.395 -7.274
65 H SER 12 H SER 12 -2.305 -2.828 -6.736
66 HA SER 12 HA SER 12 -1.310 -4.087 -4.263
67 HB2 SER 12 1HB SER 12 -0.258 -5.808 -5.524
68 HB3 SER 12 2HB SER 12 -1.895 -5.678 -6.166
69 HG SER 12 HG SER 12 0.514 -5.179 -7.378
70 H CYS 13 H CYS 13 0.641 -3.460 -3.550
71 HA CYS 13 HA CYS 13 1.943 -1.258 -4.884
72 HB2 CYS 13 1HB CYS 13 1.614 -1.497 -2.362
73 HB3 CYS 13 2HB CYS 13 2.916 -2.681 -2.410
74 H ALA 14 H ALA 14 3.570 -1.417 -6.270
75 HA ALA 14 HA ALA 14 4.790 -3.988 -6.787
76 HB1 ALA 14 3HB ALA 14 5.035 -3.187 -8.843
77 HB2 ALA 14 1HB ALA 14 4.239 -1.706 -8.311
78 HB3 ALA 14 2HB ALA 14 5.998 -1.833 -8.254
79 H GLU 15 H GLU 15 5.326 -2.373 -4.272
80 HA GLU 15 HA GLU 15 8.262 -2.284 -4.514
81 HB2 GLU 15 1HB GLU 15 6.361 -0.589 -2.921
82 HB3 GLU 15 2HB GLU 15 8.039 -0.762 -2.426
83 HG2 GLU 15 1HG GLU 15 7.856 1.230 -3.705
84 HG3 GLU 15 2HG GLU 15 8.718 0.042 -4.680
85 H CYS 16 H CYS 16 5.666 -2.785 -2.120
86 HA CYS 16 HA CYS 16 7.403 -4.752 -0.783
87 HB2 CYS 16 1HB CYS 16 5.973 -4.342 1.229
88 HB3 CYS 16 2HB CYS 16 6.885 -2.930 0.702
89 H LYS 17 H LYS 17 4.846 -4.537 -2.835
90 HA LYS 17 HA LYS 17 3.284 -6.013 -3.579
91 HB2 LYS 17 1HB LYS 17 4.817 -7.935 -1.820
92 HB3 LYS 17 2HB LYS 17 3.571 -8.409 -2.966
93 HG2 LYS 17 1HG LYS 17 6.043 -6.908 -3.781
94 HG3 LYS 17 2HG LYS 17 5.957 -8.671 -3.733
95 HD2 LYS 17 1HD LYS 17 3.975 -7.009 -5.267
96 HD3 LYS 17 2HD LYS 17 5.500 -7.547 -5.975
97 HE2 LYS 17 1HE LYS 17 4.821 -9.893 -5.300
98 HE3 LYS 17 2HE LYS 17 3.223 -9.231 -4.957
99 HZ1 LYS 17 3HZ LYS 17 3.804 -10.229 -7.292
100 HZ2 LYS 17 1HZ LYS 17 4.421 -8.679 -7.573
101 HZ3 LYS 17 2HZ LYS 17 2.795 -8.879 -7.152
102 H GLU 18 H GLU 18 2.297 -4.377 -1.750
103 HA GLU 18 HA GLU 18 0.849 -6.047 0.189
104 HB2 GLU 18 1HB GLU 18 2.225 -3.861 0.776
105 HB3 GLU 18 2HB GLU 18 0.741 -3.066 0.270
106 HG2 GLU 18 1HG GLU 18 0.711 -3.361 2.646
107 HG3 GLU 18 2HG GLU 18 -0.506 -4.407 1.917
108 H THR 19 H THR 19 -1.398 -5.915 0.365
109 HA THR 19 HA THR 19 -2.729 -4.989 -2.079
110 HB THR 19 HB THR 19 -4.616 -6.418 -1.382
111 HG1 THR 19 HG1 THR 19 -2.887 -7.177 0.757
112 HG21 THR 19 3HG2 THR 19 -2.271 -7.215 -2.496
113 HG22 THR 19 1HG2 THR 19 -3.682 -8.255 -2.305
114 HG23 THR 19 2HG2 THR 19 -2.378 -8.311 -1.120
115 H PHE 20 H PHE 20 -4.570 -3.695 -2.021
116 HA PHE 20 HA PHE 20 -5.315 -2.540 0.569
117 HB2 PHE 20 1HB PHE 20 -4.639 -0.937 -1.907
118 HB3 PHE 20 2HB PHE 20 -5.322 -0.273 -0.426
119 HD1 PHE 20 HD2 PHE 20 -2.333 -1.677 -1.998
120 HD2 PHE 20 HD1 PHE 20 -3.976 -0.001 1.553
121 HE1 PHE 20 HE2 PHE 20 -0.064 -1.369 -1.097
122 HE2 PHE 20 HE1 PHE 20 -1.710 0.311 2.459
123 HZ PHE 20 HZ PHE 20 0.250 -0.375 1.134
124 H SER 21 H SER 21 -7.445 -1.974 0.770
125 HA SER 21 HA SER 21 -9.286 -3.181 -1.026
126 HB2 SER 21 1HB SER 21 -11.020 -2.186 0.433
127 HB3 SER 21 2HB SER 21 -9.773 -3.017 1.363
128 HG SER 21 HG SER 21 -10.505 -0.757 1.979
129 H ASP 22 H ASP 22 -8.421 0.186 -0.330
130 HA ASP 22 HA ASP 22 -9.888 0.985 -2.758
131 HB2 ASP 22 1HB ASP 22 -10.529 1.920 -0.404
132 HB3 ASP 22 2HB ASP 22 -9.102 2.930 -0.614
133 H ASN 23 H ASN 23 -8.925 3.209 -3.573
134 HA ASN 23 HA ASN 23 -6.183 2.622 -4.287
135 HB2 ASN 23 1HB ASN 23 -7.349 3.349 -6.153
136 HB3 ASN 23 2HB ASN 23 -8.266 4.546 -5.243
137 HD21 ASN 23 1HD2 ASN 23 -5.729 4.052 -7.341
138 HD22 ASN 23 2HD2 ASN 23 -4.954 5.589 -7.190
139 H ASN 24 H ASN 24 -7.917 5.399 -2.876
140 HA ASN 24 HA ASN 24 -5.983 7.180 -2.378
141 HB2 ASN 24 1HB ASN 24 -7.194 7.943 -0.469
142 HB3 ASN 24 2HB ASN 24 -8.384 7.276 -1.583
143 HD21 ASN 24 1HD2 ASN 24 -6.973 7.081 1.513
144 HD22 ASN 24 2HD2 ASN 24 -7.901 5.749 2.106
145 H ARG 25 H ARG 25 -6.602 4.373 -0.273
146 HA ARG 25 HA ARG 25 -4.566 4.788 1.564
147 HB2 ARG 25 1HB ARG 25 -5.691 2.180 0.528
148 HB3 ARG 25 2HB ARG 25 -4.665 2.326 1.949
149 HG2 ARG 25 1HG ARG 25 -6.351 3.742 3.017
150 HG3 ARG 25 2HG ARG 25 -7.381 3.578 1.594
151 HD2 ARG 25 1HD ARG 25 -7.171 1.046 1.996
152 HD3 ARG 25 2HD ARG 25 -6.594 1.494 3.601
153 HE ARG 25 HE ARG 25 -9.097 2.710 2.833
154 HH11 ARG 25 1HH1 ARG 25 -7.543 -0.002 4.365
155 HH12 ARG 25 2HH1 ARG 25 -8.934 -0.437 5.302
156 HH21 ARG 25 1HH2 ARG 25 -10.935 2.148 4.061
157 HH22 ARG 25 2HH2 ARG 25 -10.863 0.786 5.127
158 H LEU 26 H LEU 26 -4.466 3.049 -1.525
159 HA LEU 26 HA LEU 26 -1.816 2.143 -1.337
160 HB2 LEU 26 1HB LEU 26 -3.379 1.249 -2.958
161 HB3 LEU 26 2HB LEU 26 -3.470 2.813 -3.766
162 HG LEU 26 HG LEU 26 -0.964 2.514 -4.217
163 HD11 LEU 26 1HD1 LEU 26 -0.127 0.772 -3.052
164 HD12 LEU 26 2HD1 LEU 26 -0.674 -0.142 -4.457
165 HD13 LEU 26 3HD1 LEU 26 -1.670 -0.081 -3.004
166 HD21 LEU 26 3HD2 LEU 26 -3.298 1.595 -5.570
167 HD22 LEU 26 1HD2 LEU 26 -1.981 0.460 -5.870
168 HD23 LEU 26 2HD2 LEU 26 -1.776 2.170 -6.252
169 H VAL 27 H VAL 27 -3.100 4.944 -3.137
170 HA VAL 27 HA VAL 27 -0.713 6.016 -4.010
171 HB VAL 27 HB VAL 27 -3.164 7.543 -3.118
172 HG11 VAL 27 1HG1 VAL 27 -1.286 8.525 -5.209
173 HG12 VAL 27 2HG1 VAL 27 -2.339 9.431 -4.121
174 HG13 VAL 27 3HG1 VAL 27 -0.844 8.720 -3.513
175 HG21 VAL 27 3HG2 VAL 27 -3.193 5.674 -4.996
176 HG22 VAL 27 1HG2 VAL 27 -4.101 7.176 -5.165
177 HG23 VAL 27 2HG2 VAL 27 -2.543 6.992 -5.971
178 H GLN 28 H GLN 28 -2.369 6.582 -0.922
179 HA GLN 28 HA GLN 28 -0.454 8.439 0.057
180 HB2 GLN 28 1HB GLN 28 -2.692 6.868 1.275
181 HB3 GLN 28 2HB GLN 28 -1.548 7.699 2.321
182 HG2 GLN 28 1HG GLN 28 -2.134 9.812 1.438
183 HG3 GLN 28 2HG GLN 28 -3.041 9.083 0.114
184 HE21 GLN 28 1HE2 GLN 28 -2.949 9.050 3.662
185 HE22 GLN 28 2HE2 GLN 28 -4.663 9.096 3.877
186 H HIS 29 H HIS 29 -0.495 5.034 -0.210
187 HA HIS 29 HA HIS 29 1.497 4.647 1.883
188 HB2 HIS 29 1HB HIS 29 -0.065 2.897 1.878
189 HB3 HIS 29 2HB HIS 29 -0.077 2.789 0.120
190 HD1 HIS 29 HD1 HIS 29 1.246 1.138 3.011
191 HD2 HIS 29 HD2 HIS 29 2.561 1.781 -0.878
192 HE1 HIS 29 HE1 HIS 29 3.044 -0.576 2.617
193 H GLN 30 H GLN 30 1.244 4.847 -1.583
194 HA GLN 30 HA GLN 30 3.655 3.633 -2.318
195 HB2 GLN 30 1HB GLN 30 2.070 5.855 -3.601
196 HB3 GLN 30 2HB GLN 30 3.496 5.145 -4.346
197 HG2 GLN 30 1HG GLN 30 2.324 2.915 -4.156
198 HG3 GLN 30 2HG GLN 30 0.872 3.823 -3.738
199 HE21 GLN 30 1HE2 GLN 30 1.227 2.124 -5.998
200 HE22 GLN 30 2HE2 GLN 30 1.047 3.101 -7.411
201 H LYS 31 H LYS 31 2.940 7.026 -1.547
202 HA LYS 31 HA LYS 31 5.515 8.040 -1.989
203 HB2 LYS 31 1HB LYS 31 4.810 9.979 -0.771
204 HB3 LYS 31 2HB LYS 31 3.428 9.394 -1.689
205 HG2 LYS 31 1HG LYS 31 2.423 8.471 0.256
206 HG3 LYS 31 2HG LYS 31 3.883 8.741 1.211
207 HD2 LYS 31 1HD LYS 31 2.560 10.518 1.861
208 HD3 LYS 31 2HD LYS 31 3.511 11.239 0.561
209 HE2 LYS 31 1HE LYS 31 0.885 9.955 -0.056
210 HE3 LYS 31 2HE LYS 31 0.922 11.573 0.642
211 HZ1 LYS 31 3HZ LYS 31 1.100 11.019 -1.990
212 HZ2 LYS 31 1HZ LYS 31 2.728 11.213 -1.572
213 HZ3 LYS 31 2HZ LYS 31 1.623 12.457 -1.269
214 H MET 32 H MET 32 4.065 6.508 0.825
215 HA MET 32 HA MET 32 5.877 7.121 2.800
216 HB2 MET 32 1HB MET 32 4.590 4.424 2.339
217 HB3 MET 32 2HB MET 32 5.257 5.005 3.860
218 HG2 MET 32 1HG MET 32 3.046 6.466 2.465
219 HG3 MET 32 2HG MET 32 2.725 5.098 3.528
220 HE1 MET 32 3HE MET 32 3.896 6.331 6.992
221 HE2 MET 32 1HE MET 32 2.930 5.140 6.121
222 HE3 MET 32 2HE MET 32 4.669 5.238 5.844
223 H HIS 33 H HIS 33 6.417 5.330 -0.056
224 HA HIS 33 HA HIS 33 8.754 3.943 0.971
225 HB2 HIS 33 1HB HIS 33 7.394 4.021 -1.716
226 HB3 HIS 33 2HB HIS 33 8.955 3.238 -1.487
227 HD1 HIS 33 HD1 HIS 33 8.683 1.592 0.926
228 HD2 HIS 33 HD2 HIS 33 5.508 2.101 -1.704
229 HE1 HIS 33 HE1 HIS 33 7.156 -0.364 1.330
230 H THR 34 H THR 34 8.497 6.958 0.724
231 HA THR 34 HA THR 34 10.568 7.595 -1.218
232 HB THR 34 HB THR 34 8.589 9.090 -0.913
233 HG1 THR 34 HG1 THR 34 9.845 10.722 -1.472
234 HG21 THR 34 3HG2 THR 34 9.711 9.208 1.830
235 HG22 THR 34 1HG2 THR 34 8.035 9.298 1.288
236 HG23 THR 34 2HG2 THR 34 9.082 10.710 1.153
237 H VAL 35 H VAL 35 10.885 6.093 1.479
238 HA VAL 35 HA VAL 35 13.500 7.033 2.036
239 HB VAL 35 HB VAL 35 11.905 8.726 3.213
240 HG11 VAL 35 1HG1 VAL 35 11.984 6.941 5.553
241 HG12 VAL 35 2HG1 VAL 35 10.753 8.098 5.046
242 HG13 VAL 35 3HG1 VAL 35 10.825 6.502 4.299
243 HG21 VAL 35 3HG2 VAL 35 13.546 9.119 4.897
244 HG22 VAL 35 1HG2 VAL 35 14.073 7.436 4.860
245 HG23 VAL 35 2HG2 VAL 35 14.391 8.490 3.482
246 H LYS 36 H LYS 36 14.649 5.654 3.416
247 HA LYS 36 HA LYS 36 13.899 2.982 3.442
248 HB2 LYS 36 1HB LYS 36 15.771 2.614 4.953
249 HB3 LYS 36 2HB LYS 36 16.219 3.765 3.701
250 HG2 LYS 36 1HG LYS 36 15.817 5.605 5.297
251 HG3 LYS 36 2HG LYS 36 15.476 4.407 6.548
252 HD2 LYS 36 1HD LYS 36 17.735 5.041 6.846
253 HD3 LYS 36 2HD LYS 36 17.773 3.453 6.075
254 HE2 LYS 36 1HE LYS 36 18.418 4.335 4.018
255 HE3 LYS 36 2HE LYS 36 17.875 5.959 4.436
256 HZ1 LYS 36 3HZ LYS 36 19.794 5.361 6.295
257 HZ2 LYS 36 1HZ LYS 36 19.977 6.377 4.954
258 HZ3 LYS 36 2HZ LYS 36 20.420 4.748 4.848
259 H SER 37 H SER 37 13.694 5.379 6.054
260 HA SER 37 HA SER 37 12.641 5.337 8.081
261 HB2 SER 37 1HB SER 37 10.744 5.447 6.395
262 HB3 SER 37 2HB SER 37 10.538 3.712 6.641
263 HG SER 37 HG SER 37 9.546 5.663 8.096
264 H GLY 38 H GLY 38 14.583 3.503 8.139
265 HA2 GLY 38 1HA GLY 38 15.156 1.837 9.678
266 HA3 GLY 38 2HA GLY 38 13.450 1.473 9.885
267 HA PRO 39 HA PRO 39 15.011 -0.802 5.883
268 HB2 PRO 39 1HB PRO 39 17.703 -1.114 5.721
269 HB3 PRO 39 2HB PRO 39 16.851 0.260 5.008
270 HG2 PRO 39 1HG PRO 39 18.342 0.094 7.598
271 HG3 PRO 39 2HG PRO 39 18.353 1.384 6.382
272 HD2 PRO 39 1HD PRO 39 16.901 1.544 8.661
273 HD3 PRO 39 2HD PRO 39 16.372 2.287 7.138
274 H SER 40 H SER 40 16.277 -1.082 9.075
275 HA SER 40 HA SER 40 17.504 -3.437 9.339
276 HB2 SER 40 1HB SER 40 16.635 -3.632 11.522
277 HB3 SER 40 2HB SER 40 16.546 -1.905 11.176
278 HG SER 40 HG SER 40 14.455 -2.010 11.325
279 H SER 41 H SER 41 17.106 -5.597 9.205
280 HA SER 41 HA SER 41 16.190 -7.425 8.145
281 HB2 SER 41 1HB SER 41 14.220 -8.234 9.281
282 HB3 SER 41 2HB SER 41 15.231 -7.401 10.462
283 HG SER 41 HG SER 41 12.704 -6.896 9.803
284 H GLY 42 H GLY 42 16.051 -5.322 6.401
285 HA2 GLY 42 1HA GLY 42 14.961 -5.439 4.247
286 HA3 GLY 42 2HA GLY 42 13.466 -5.838 5.080
Start of MODEL 7
1 H1 GLY 1 H GLY 1 1.422 -19.535 -1.060
2 HA2 GLY 1 1HA GLY 1 -0.902 -20.350 -2.157
3 HA3 GLY 1 2HA GLY 1 -0.854 -19.485 -0.628
4 H SER 2 H SER 2 -2.680 -18.284 -0.800
5 HA SER 2 HA SER 2 -2.806 -16.400 -3.064
6 HB2 SER 2 1HB SER 2 -4.640 -18.265 -2.760
7 HB3 SER 2 2HB SER 2 -5.264 -17.164 -1.532
8 HG SER 2 HG SER 2 -5.420 -15.563 -3.122
9 H SER 3 H SER 3 -1.446 -15.037 -1.684
10 HA SER 3 HA SER 3 -1.062 -13.538 0.037
11 HB2 SER 3 1HB SER 3 -2.447 -11.587 -0.218
12 HB3 SER 3 2HB SER 3 -2.262 -12.321 -1.810
13 HG SER 3 HG SER 3 -4.472 -11.657 -1.015
14 H GLY 4 H GLY 4 -2.115 -15.868 1.144
15 HA2 GLY 4 1HA GLY 4 -2.762 -16.416 3.314
16 HA3 GLY 4 2HA GLY 4 -3.331 -14.768 3.534
17 H SER 5 H SER 5 -4.182 -17.256 1.138
18 HA SER 5 HA SER 5 -6.272 -17.804 0.332
19 HB2 SER 5 1HB SER 5 -6.156 -18.502 3.234
20 HB3 SER 5 2HB SER 5 -7.682 -18.728 2.380
21 HG SER 5 HG SER 5 -5.363 -19.688 1.165
22 H SER 6 H SER 6 -6.140 -15.053 0.616
23 HA SER 6 HA SER 6 -8.899 -14.435 1.433
24 HB2 SER 6 1HB SER 6 -6.364 -13.044 2.179
25 HB3 SER 6 2HB SER 6 -7.806 -12.064 1.915
26 HG SER 6 HG SER 6 -8.158 -12.589 3.934
27 H GLY 7 H GLY 7 -10.019 -12.995 0.143
28 HA2 GLY 7 1HA GLY 7 -9.719 -12.961 -2.535
29 HA3 GLY 7 2HA GLY 7 -10.440 -11.613 -1.669
30 H GLU 8 H GLU 8 -8.949 -11.474 -4.114
31 HA GLU 8 HA GLU 8 -6.454 -10.173 -3.285
32 HB2 GLU 8 1HB GLU 8 -5.955 -10.167 -5.748
33 HB3 GLU 8 2HB GLU 8 -6.104 -11.763 -5.028
34 HG2 GLU 8 1HG GLU 8 -8.439 -10.462 -6.367
35 HG3 GLU 8 2HG GLU 8 -7.212 -11.314 -7.302
36 H LYS 9 H LYS 9 -6.322 -8.036 -3.183
37 HA LYS 9 HA LYS 9 -8.553 -6.393 -3.931
38 HB2 LYS 9 1HB LYS 9 -5.938 -5.966 -2.564
39 HB3 LYS 9 2HB LYS 9 -6.742 -4.566 -3.263
40 HG2 LYS 9 1HG LYS 9 -7.559 -4.532 -1.125
41 HG3 LYS 9 2HG LYS 9 -8.814 -5.458 -1.952
42 HD2 LYS 9 1HD LYS 9 -8.085 -7.480 -1.047
43 HD3 LYS 9 2HD LYS 9 -6.492 -6.835 -0.647
44 HE2 LYS 9 1HE LYS 9 -7.453 -6.852 1.429
45 HE3 LYS 9 2HE LYS 9 -7.898 -5.232 0.896
46 HZ1 LYS 9 3HZ LYS 9 -10.015 -6.355 0.050
47 HZ2 LYS 9 1HZ LYS 9 -9.863 -6.114 1.717
48 HZ3 LYS 9 2HZ LYS 9 -9.588 -7.646 1.056
49 HA PRO 10 HA PRO 10 -7.315 -5.208 -7.978
50 HB2 PRO 10 1HB PRO 10 -8.422 -2.733 -8.112
51 HB3 PRO 10 2HB PRO 10 -9.379 -4.217 -8.172
52 HG2 PRO 10 1HG PRO 10 -8.863 -2.388 -5.859
53 HG3 PRO 10 2HG PRO 10 -10.379 -3.163 -6.356
54 HD2 PRO 10 1HD PRO 10 -8.848 -4.118 -4.337
55 HD3 PRO 10 2HD PRO 10 -9.814 -5.176 -5.385
56 H TYR 11 H TYR 11 -6.435 -3.306 -5.212
57 HA TYR 11 HA TYR 11 -4.383 -1.910 -6.795
58 HB2 TYR 11 1HB TYR 11 -5.420 -1.201 -4.043
59 HB3 TYR 11 2HB TYR 11 -4.299 -0.255 -5.016
60 HD1 TYR 11 HD1 TYR 11 -5.129 0.745 -7.186
61 HD2 TYR 11 HD2 TYR 11 -7.749 -0.956 -4.297
62 HE1 TYR 11 HE1 TYR 11 -7.019 1.949 -8.199
63 HE2 TYR 11 HE2 TYR 11 -9.646 0.243 -5.303
64 HH TYR 11 HH TYR 11 -10.328 1.516 -7.002
65 H SER 12 H SER 12 -2.324 -2.455 -6.526
66 HA SER 12 HA SER 12 -1.476 -3.695 -4.009
67 HB2 SER 12 1HB SER 12 -1.192 -4.866 -6.765
68 HB3 SER 12 2HB SER 12 -0.047 -5.274 -5.488
69 HG SER 12 HG SER 12 -2.463 -6.284 -5.906
70 H CYS 13 H CYS 13 0.888 -3.724 -3.753
71 HA CYS 13 HA CYS 13 2.086 -1.372 -5.047
72 HB2 CYS 13 1HB CYS 13 1.828 -1.383 -2.542
73 HB3 CYS 13 2HB CYS 13 2.974 -2.718 -2.491
74 H ALA 14 H ALA 14 3.756 -1.615 -6.379
75 HA ALA 14 HA ALA 14 4.862 -4.273 -6.783
76 HB1 ALA 14 3HB ALA 14 6.138 -2.857 -8.627
77 HB2 ALA 14 1HB ALA 14 4.475 -3.402 -8.849
78 HB3 ALA 14 2HB ALA 14 4.800 -1.746 -8.336
79 H GLU 15 H GLU 15 5.515 -2.650 -4.374
80 HA GLU 15 HA GLU 15 8.441 -2.629 -4.712
81 HB2 GLU 15 1HB GLU 15 6.707 -0.707 -3.164
82 HB3 GLU 15 2HB GLU 15 8.439 -0.848 -2.900
83 HG2 GLU 15 1HG GLU 15 7.221 -0.217 -5.573
84 HG3 GLU 15 2HG GLU 15 7.723 1.012 -4.413
85 H CYS 16 H CYS 16 5.797 -2.890 -2.349
86 HA CYS 16 HA CYS 16 7.523 -4.647 -0.732
87 HB2 CYS 16 1HB CYS 16 6.190 -4.026 1.199
88 HB3 CYS 16 2HB CYS 16 6.784 -2.571 0.405
89 H LYS 17 H LYS 17 5.008 -4.688 -2.874
90 HA LYS 17 HA LYS 17 3.527 -6.287 -3.528
91 HB2 LYS 17 1HB LYS 17 4.968 -8.015 -1.507
92 HB3 LYS 17 2HB LYS 17 3.867 -8.594 -2.751
93 HG2 LYS 17 1HG LYS 17 6.263 -7.003 -3.537
94 HG3 LYS 17 2HG LYS 17 6.441 -8.707 -3.113
95 HD2 LYS 17 1HD LYS 17 4.620 -9.197 -4.784
96 HD3 LYS 17 2HD LYS 17 4.750 -7.515 -5.304
97 HE2 LYS 17 1HE LYS 17 6.110 -8.714 -6.793
98 HE3 LYS 17 2HE LYS 17 7.231 -7.986 -5.643
99 HZ1 LYS 17 3HZ LYS 17 6.249 -10.788 -5.549
100 HZ2 LYS 17 1HZ LYS 17 7.342 -10.086 -4.465
101 HZ3 LYS 17 2HZ LYS 17 7.777 -10.300 -6.086
102 H GLU 18 H GLU 18 2.521 -4.476 -1.805
103 HA GLU 18 HA GLU 18 1.041 -5.974 0.235
104 HB2 GLU 18 1HB GLU 18 1.773 -3.116 -0.141
105 HB3 GLU 18 2HB GLU 18 0.257 -3.459 0.680
106 HG2 GLU 18 1HG GLU 18 2.721 -4.868 1.568
107 HG3 GLU 18 2HG GLU 18 2.489 -3.179 2.016
108 H THR 19 H THR 19 -1.273 -4.840 0.539
109 HA THR 19 HA THR 19 -2.567 -4.512 -2.065
110 HB THR 19 HB THR 19 -4.436 -6.046 -1.233
111 HG1 THR 19 HG1 THR 19 -2.431 -7.308 0.293
112 HG21 THR 19 3HG2 THR 19 -3.337 -6.968 -3.017
113 HG22 THR 19 1HG2 THR 19 -2.900 -8.138 -1.773
114 HG23 THR 19 2HG2 THR 19 -1.760 -6.874 -2.235
115 H PHE 20 H PHE 20 -4.392 -3.243 -2.040
116 HA PHE 20 HA PHE 20 -5.411 -2.326 0.545
117 HB2 PHE 20 1HB PHE 20 -4.693 -0.382 -1.652
118 HB3 PHE 20 2HB PHE 20 -5.220 -0.006 -0.014
119 HD1 PHE 20 HD2 PHE 20 -2.454 -1.513 -1.964
120 HD2 PHE 20 HD1 PHE 20 -3.671 0.248 1.715
121 HE1 PHE 20 HE2 PHE 20 -0.106 -1.420 -1.236
122 HE2 PHE 20 HE1 PHE 20 -1.324 0.345 2.448
123 HZ PHE 20 HZ PHE 20 0.462 -0.490 0.973
124 H SER 21 H SER 21 -7.545 -2.480 0.553
125 HA SER 21 HA SER 21 -9.106 -3.251 -1.597
126 HB2 SER 21 1HB SER 21 -11.050 -2.609 -0.222
127 HB3 SER 21 2HB SER 21 -9.842 -3.468 0.733
128 HG SER 21 HG SER 21 -9.768 -1.786 1.970
129 H ASP 22 H ASP 22 -8.485 0.004 -0.355
130 HA ASP 22 HA ASP 22 -9.908 1.119 -2.673
131 HB2 ASP 22 1HB ASP 22 -9.068 2.455 -0.091
132 HB3 ASP 22 2HB ASP 22 -9.935 3.240 -1.408
133 H ASN 23 H ASN 23 -8.948 3.067 -3.669
134 HA ASN 23 HA ASN 23 -6.195 2.580 -4.314
135 HB2 ASN 23 1HB ASN 23 -7.548 3.289 -6.124
136 HB3 ASN 23 2HB ASN 23 -8.209 4.638 -5.205
137 HD21 ASN 23 1HD2 ASN 23 -5.022 3.407 -6.173
138 HD22 ASN 23 2HD2 ASN 23 -4.392 4.941 -6.662
139 H ASN 24 H ASN 24 -7.948 5.321 -2.860
140 HA ASN 24 HA ASN 24 -6.021 7.121 -2.371
141 HB2 ASN 24 1HB ASN 24 -7.192 7.784 -0.345
142 HB3 ASN 24 2HB ASN 24 -8.362 7.322 -1.579
143 HD21 ASN 24 1HD2 ASN 24 -7.438 6.940 1.591
144 HD22 ASN 24 2HD2 ASN 24 -8.364 5.532 1.974
145 H ARG 25 H ARG 25 -6.640 4.350 -0.212
146 HA ARG 25 HA ARG 25 -4.596 4.753 1.597
147 HB2 ARG 25 1HB ARG 25 -6.021 2.323 0.603
148 HB3 ARG 25 2HB ARG 25 -4.613 2.112 1.635
149 HG2 ARG 25 1HG ARG 25 -5.667 3.465 3.367
150 HG3 ARG 25 2HG ARG 25 -7.075 3.700 2.330
151 HD2 ARG 25 1HD ARG 25 -7.680 1.962 3.785
152 HD3 ARG 25 2HD ARG 25 -7.253 1.161 2.274
153 HE ARG 25 HE ARG 25 -5.422 0.217 3.313
154 HH11 ARG 25 1HH1 ARG 25 -6.882 2.603 5.385
155 HH12 ARG 25 2HH1 ARG 25 -5.970 2.137 6.783
156 HH21 ARG 25 1HH2 ARG 25 -4.216 -0.406 5.146
157 HH22 ARG 25 2HH2 ARG 25 -4.453 0.426 6.646
158 H LEU 26 H LEU 26 -4.476 3.026 -1.499
159 HA LEU 26 HA LEU 26 -1.807 2.162 -1.308
160 HB2 LEU 26 1HB LEU 26 -3.315 1.202 -2.917
161 HB3 LEU 26 2HB LEU 26 -3.521 2.761 -3.713
162 HG LEU 26 HG LEU 26 -1.025 2.623 -4.246
163 HD11 LEU 26 1HD1 LEU 26 -1.497 0.005 -2.976
164 HD12 LEU 26 2HD1 LEU 26 -0.020 0.960 -3.103
165 HD13 LEU 26 3HD1 LEU 26 -0.561 -0.015 -4.470
166 HD21 LEU 26 3HD2 LEU 26 -1.934 2.241 -6.235
167 HD22 LEU 26 1HD2 LEU 26 -3.327 1.445 -5.500
168 HD23 LEU 26 2HD2 LEU 26 -1.878 0.513 -5.880
169 H VAL 27 H VAL 27 -3.128 4.888 -3.199
170 HA VAL 27 HA VAL 27 -0.813 6.017 -4.102
171 HB VAL 27 HB VAL 27 -3.228 7.512 -3.071
172 HG11 VAL 27 1HG1 VAL 27 -0.840 8.627 -3.674
173 HG12 VAL 27 2HG1 VAL 27 -1.615 8.636 -5.259
174 HG13 VAL 27 3HG1 VAL 27 -2.392 9.435 -3.892
175 HG21 VAL 27 3HG2 VAL 27 -4.318 6.786 -4.866
176 HG22 VAL 27 1HG2 VAL 27 -3.028 7.363 -5.921
177 HG23 VAL 27 2HG2 VAL 27 -2.950 5.737 -5.241
178 H GLN 28 H GLN 28 -2.347 6.622 -0.952
179 HA GLN 28 HA GLN 28 -0.368 8.435 -0.043
180 HB2 GLN 28 1HB GLN 28 -2.325 6.745 1.524
181 HB3 GLN 28 2HB GLN 28 -1.373 8.065 2.190
182 HG2 GLN 28 1HG GLN 28 -2.614 9.678 1.141
183 HG3 GLN 28 2HG GLN 28 -3.122 8.597 -0.156
184 HE21 GLN 28 1HE2 GLN 28 -5.054 10.050 0.815
185 HE22 GLN 28 2HE2 GLN 28 -6.086 9.159 1.876
186 H HIS 29 H HIS 29 -0.568 4.985 -0.144
187 HA HIS 29 HA HIS 29 1.523 4.579 1.815
188 HB2 HIS 29 1HB HIS 29 -0.023 2.826 1.822
189 HB3 HIS 29 2HB HIS 29 -0.114 2.770 0.064
190 HD1 HIS 29 HD1 HIS 29 1.577 1.253 2.930
191 HD2 HIS 29 HD2 HIS 29 2.216 1.548 -1.164
192 HE1 HIS 29 HE1 HIS 29 3.278 -0.517 2.386
193 H GLN 30 H GLN 30 1.227 4.915 -1.624
194 HA GLN 30 HA GLN 30 3.608 3.674 -2.437
195 HB2 GLN 30 1HB GLN 30 1.985 5.917 -3.623
196 HB3 GLN 30 2HB GLN 30 3.430 5.293 -4.406
197 HG2 GLN 30 1HG GLN 30 2.245 2.993 -4.154
198 HG3 GLN 30 2HG GLN 30 0.792 3.975 -3.975
199 HE21 GLN 30 1HE2 GLN 30 0.430 2.561 -5.984
200 HE22 GLN 30 2HE2 GLN 30 0.832 3.296 -7.494
201 H LYS 31 H LYS 31 2.938 7.022 -1.480
202 HA LYS 31 HA LYS 31 5.574 7.969 -1.926
203 HB2 LYS 31 1HB LYS 31 4.881 9.964 -0.791
204 HB3 LYS 31 2HB LYS 31 3.532 9.407 -1.772
205 HG2 LYS 31 1HG LYS 31 2.463 8.462 0.191
206 HG3 LYS 31 2HG LYS 31 3.834 8.949 1.190
207 HD2 LYS 31 1HD LYS 31 3.306 11.204 1.036
208 HD3 LYS 31 2HD LYS 31 2.352 10.983 -0.432
209 HE2 LYS 31 1HE LYS 31 0.543 10.068 0.755
210 HE3 LYS 31 2HE LYS 31 1.523 9.781 2.192
211 HZ1 LYS 31 3HZ LYS 31 0.026 11.692 2.428
212 HZ2 LYS 31 1HZ LYS 31 0.807 12.464 1.141
213 HZ3 LYS 31 2HZ LYS 31 1.652 12.139 2.570
214 H MET 32 H MET 32 3.922 6.603 0.867
215 HA MET 32 HA MET 32 5.633 7.198 2.918
216 HB2 MET 32 1HB MET 32 4.063 4.704 2.319
217 HB3 MET 32 2HB MET 32 5.031 4.842 3.780
218 HG2 MET 32 1HG MET 32 2.893 6.810 3.018
219 HG3 MET 32 2HG MET 32 2.605 5.397 4.031
220 HE1 MET 32 3HE MET 32 4.217 9.043 3.906
221 HE2 MET 32 1HE MET 32 2.508 8.762 4.243
222 HE3 MET 32 2HE MET 32 3.565 9.387 5.509
223 H HIS 33 H HIS 33 6.287 5.290 0.148
224 HA HIS 33 HA HIS 33 8.521 3.872 1.318
225 HB2 HIS 33 1HB HIS 33 7.303 4.003 -1.424
226 HB3 HIS 33 2HB HIS 33 8.892 3.280 -1.190
227 HD1 HIS 33 HD1 HIS 33 8.624 1.556 1.184
228 HD2 HIS 33 HD2 HIS 33 5.524 1.986 -1.548
229 HE1 HIS 33 HE1 HIS 33 7.181 -0.482 1.479
230 H THR 34 H THR 34 8.359 6.905 1.084
231 HA THR 34 HA THR 34 10.615 7.497 -0.656
232 HB THR 34 HB THR 34 8.687 9.053 -0.568
233 HG1 THR 34 HG1 THR 34 10.875 10.454 0.520
234 HG21 THR 34 3HG2 THR 34 7.864 9.142 1.576
235 HG22 THR 34 1HG2 THR 34 8.839 10.610 1.555
236 HG23 THR 34 2HG2 THR 34 9.467 9.145 2.308
237 H VAL 35 H VAL 35 12.456 8.742 0.156
238 HA VAL 35 HA VAL 35 13.109 8.079 2.954
239 HB VAL 35 HB VAL 35 14.345 6.710 1.223
240 HG11 VAL 35 1HG1 VAL 35 15.335 7.720 -0.486
241 HG12 VAL 35 2HG1 VAL 35 14.823 9.289 0.139
242 HG13 VAL 35 3HG1 VAL 35 16.374 8.607 0.630
243 HG21 VAL 35 3HG2 VAL 35 15.374 6.627 3.271
244 HG22 VAL 35 1HG2 VAL 35 16.650 7.372 2.308
245 HG23 VAL 35 2HG2 VAL 35 15.626 8.372 3.339
246 H LYS 36 H LYS 36 11.925 10.475 2.391
247 HA LYS 36 HA LYS 36 14.061 12.460 2.183
248 HB2 LYS 36 1HB LYS 36 11.713 12.535 1.000
249 HB3 LYS 36 2HB LYS 36 11.178 13.173 2.550
250 HG2 LYS 36 1HG LYS 36 13.515 14.371 1.114
251 HG3 LYS 36 2HG LYS 36 11.858 14.825 0.709
252 HD2 LYS 36 1HD LYS 36 11.513 15.879 2.712
253 HD3 LYS 36 2HD LYS 36 12.662 14.853 3.573
254 HE2 LYS 36 1HE LYS 36 14.449 16.032 2.138
255 HE3 LYS 36 2HE LYS 36 13.194 17.229 1.823
256 HZ1 LYS 36 3HZ LYS 36 14.649 17.796 3.716
257 HZ2 LYS 36 1HZ LYS 36 14.092 16.424 4.536
258 HZ3 LYS 36 2HZ LYS 36 13.019 17.674 4.154
259 H SER 37 H SER 37 15.109 12.638 4.084
260 HA SER 37 HA SER 37 13.789 13.874 6.282
261 HB2 SER 37 1HB SER 37 14.076 12.147 7.958
262 HB3 SER 37 2HB SER 37 13.108 11.498 6.635
263 HG SER 37 HG SER 37 14.731 10.032 7.252
264 H GLY 38 H GLY 38 15.356 14.048 8.211
265 HA2 GLY 38 1HA GLY 38 17.729 15.245 7.328
266 HA3 GLY 38 2HA GLY 38 17.377 14.801 8.992
267 HA PRO 39 HA PRO 39 20.849 12.174 7.146
268 HB2 PRO 39 1HB PRO 39 22.860 13.132 8.698
269 HB3 PRO 39 2HB PRO 39 22.435 13.837 7.134
270 HG2 PRO 39 1HG PRO 39 21.690 14.747 9.887
271 HG3 PRO 39 2HG PRO 39 22.219 15.710 8.495
272 HD2 PRO 39 1HD PRO 39 19.617 15.492 9.212
273 HD3 PRO 39 2HD PRO 39 20.129 15.683 7.523
274 H SER 40 H SER 40 20.521 10.223 8.016
275 HA SER 40 HA SER 40 20.000 8.638 9.617
276 HB2 SER 40 1HB SER 40 22.614 9.044 9.424
277 HB3 SER 40 2HB SER 40 22.423 9.570 11.096
278 HG SER 40 HG SER 40 21.118 7.403 11.096
279 H SER 41 H SER 41 18.525 10.919 10.171
280 HA SER 41 HA SER 41 18.657 11.067 13.112
281 HB2 SER 41 1HB SER 41 18.974 13.199 11.590
282 HB3 SER 41 2HB SER 41 17.214 13.137 11.500
283 HG SER 41 HG SER 41 18.322 14.367 13.302
284 H GLY 42 H GLY 42 17.381 9.117 13.199
285 HA2 GLY 42 1HA GLY 42 15.117 8.698 14.033
286 HA3 GLY 42 2HA GLY 42 14.522 9.655 12.685
Start of MODEL 8
1 H1 GLY 1 H GLY 1 6.685 -23.718 3.561
2 HA2 GLY 1 1HA GLY 1 4.242 -25.366 3.770
3 HA3 GLY 1 2HA GLY 1 4.654 -24.069 4.882
4 H SER 2 H SER 2 2.237 -24.459 3.269
5 HA SER 2 HA SER 2 2.366 -22.381 1.246
6 HB2 SER 2 1HB SER 2 0.032 -24.054 2.207
7 HB3 SER 2 2HB SER 2 0.002 -22.958 0.826
8 HG SER 2 HG SER 2 1.319 -25.420 1.123
9 H SER 3 H SER 3 2.129 -20.315 1.741
10 HA SER 3 HA SER 3 0.930 -19.545 4.275
11 HB2 SER 3 1HB SER 3 3.064 -18.516 3.513
12 HB3 SER 3 2HB SER 3 2.201 -17.803 2.149
13 HG SER 3 HG SER 3 1.084 -16.510 3.520
14 H GLY 4 H GLY 4 0.514 -18.695 0.834
15 HA2 GLY 4 1HA GLY 4 -1.751 -18.741 -0.087
16 HA3 GLY 4 2HA GLY 4 -2.313 -18.099 1.450
17 H SER 5 H SER 5 -2.840 -16.992 -1.130
18 HA SER 5 HA SER 5 -1.133 -14.776 -1.642
19 HB2 SER 5 1HB SER 5 -2.527 -15.648 -3.419
20 HB3 SER 5 2HB SER 5 -3.987 -15.331 -2.484
21 HG SER 5 HG SER 5 -2.234 -13.491 -3.709
22 H SER 6 H SER 6 -4.334 -15.042 -0.107
23 HA SER 6 HA SER 6 -5.503 -13.612 1.232
24 HB2 SER 6 1HB SER 6 -2.705 -12.995 2.214
25 HB3 SER 6 2HB SER 6 -4.194 -12.580 3.064
26 HG SER 6 HG SER 6 -4.321 -14.558 3.752
27 H GLY 7 H GLY 7 -5.051 -12.580 -1.313
28 HA2 GLY 7 1HA GLY 7 -5.200 -9.729 -0.721
29 HA3 GLY 7 2HA GLY 7 -3.938 -10.227 -1.839
30 H GLU 8 H GLU 8 -7.420 -10.124 -1.317
31 HA GLU 8 HA GLU 8 -7.870 -10.688 -4.156
32 HB2 GLU 8 1HB GLU 8 -9.786 -10.515 -1.825
33 HB3 GLU 8 2HB GLU 8 -10.278 -10.804 -3.488
34 HG2 GLU 8 1HG GLU 8 -8.413 -12.577 -1.929
35 HG3 GLU 8 2HG GLU 8 -10.144 -12.854 -2.114
36 H LYS 9 H LYS 9 -6.664 -8.256 -3.659
37 HA LYS 9 HA LYS 9 -8.843 -6.360 -4.247
38 HB2 LYS 9 1HB LYS 9 -6.322 -5.957 -2.646
39 HB3 LYS 9 2HB LYS 9 -7.225 -4.606 -3.319
40 HG2 LYS 9 1HG LYS 9 -8.139 -4.683 -1.241
41 HG3 LYS 9 2HG LYS 9 -9.236 -5.781 -2.083
42 HD2 LYS 9 1HD LYS 9 -8.739 -7.059 -0.254
43 HD3 LYS 9 2HD LYS 9 -7.441 -7.573 -1.335
44 HE2 LYS 9 1HE LYS 9 -5.978 -5.853 -0.288
45 HE3 LYS 9 2HE LYS 9 -7.270 -5.513 0.861
46 HZ1 LYS 9 3HZ LYS 9 -5.369 -7.644 0.852
47 HZ2 LYS 9 1HZ LYS 9 -6.954 -8.223 0.974
48 HZ3 LYS 9 2HZ LYS 9 -6.374 -7.104 2.102
49 HA PRO 10 HA PRO 10 -6.835 -5.645 -8.098
50 HB2 PRO 10 1HB PRO 10 -7.824 -3.178 -8.653
51 HB3 PRO 10 2HB PRO 10 -8.796 -4.650 -8.766
52 HG2 PRO 10 1HG PRO 10 -8.673 -2.627 -6.563
53 HG3 PRO 10 2HG PRO 10 -10.089 -3.425 -7.271
54 HD2 PRO 10 1HD PRO 10 -8.995 -4.213 -4.923
55 HD3 PRO 10 2HD PRO 10 -9.776 -5.349 -6.041
56 H TYR 11 H TYR 11 -6.466 -3.469 -5.408
57 HA TYR 11 HA TYR 11 -4.329 -1.970 -6.679
58 HB2 TYR 11 1HB TYR 11 -5.358 -1.847 -3.837
59 HB3 TYR 11 2HB TYR 11 -4.246 -0.707 -4.584
60 HD1 TYR 11 HD2 TYR 11 -7.727 -1.874 -4.467
61 HD2 TYR 11 HD1 TYR 11 -5.036 0.981 -6.113
62 HE1 TYR 11 HE2 TYR 11 -9.636 -0.526 -5.233
63 HE2 TYR 11 HE1 TYR 11 -6.938 2.338 -6.882
64 HH TYR 11 HH TYR 11 -9.587 2.493 -5.943
65 H SER 12 H SER 12 -2.325 -2.710 -6.740
66 HA SER 12 HA SER 12 -1.292 -4.215 -4.439
67 HB2 SER 12 1HB SER 12 -0.141 -5.779 -5.930
68 HB3 SER 12 2HB SER 12 -1.882 -5.830 -6.212
69 HG SER 12 HG SER 12 -1.448 -4.306 -7.969
70 H CYS 13 H CYS 13 0.858 -3.883 -3.951
71 HA CYS 13 HA CYS 13 2.101 -1.610 -5.328
72 HB2 CYS 13 1HB CYS 13 1.673 -1.513 -2.840
73 HB3 CYS 13 2HB CYS 13 2.875 -2.787 -2.656
74 H ALA 14 H ALA 14 3.748 -1.958 -6.652
75 HA ALA 14 HA ALA 14 4.988 -4.571 -6.781
76 HB1 ALA 14 3HB ALA 14 6.194 -3.583 -8.742
77 HB2 ALA 14 1HB ALA 14 4.435 -3.573 -8.871
78 HB3 ALA 14 2HB ALA 14 5.298 -2.090 -8.460
79 H GLU 15 H GLU 15 5.492 -2.953 -4.413
80 HA GLU 15 HA GLU 15 8.421 -2.785 -4.631
81 HB2 GLU 15 1HB GLU 15 6.507 -0.805 -3.454
82 HB3 GLU 15 2HB GLU 15 8.122 -0.958 -2.775
83 HG2 GLU 15 1HG GLU 15 7.704 -0.537 -5.709
84 HG3 GLU 15 2HG GLU 15 7.717 0.814 -4.576
85 H CYS 16 H CYS 16 5.757 -2.840 -2.259
86 HA CYS 16 HA CYS 16 7.435 -4.517 -0.523
87 HB2 CYS 16 1HB CYS 16 5.962 -3.848 1.305
88 HB3 CYS 16 2HB CYS 16 6.596 -2.427 0.482
89 H LYS 17 H LYS 17 4.988 -4.751 -2.747
90 HA LYS 17 HA LYS 17 3.589 -6.434 -3.368
91 HB2 LYS 17 1HB LYS 17 4.901 -8.080 -1.202
92 HB3 LYS 17 2HB LYS 17 4.037 -8.674 -2.614
93 HG2 LYS 17 1HG LYS 17 6.564 -7.055 -2.791
94 HG3 LYS 17 2HG LYS 17 6.538 -8.819 -2.727
95 HD2 LYS 17 1HD LYS 17 4.879 -7.377 -4.754
96 HD3 LYS 17 2HD LYS 17 6.608 -7.599 -5.031
97 HE2 LYS 17 1HE LYS 17 5.827 -9.503 -6.011
98 HE3 LYS 17 2HE LYS 17 6.022 -10.092 -4.361
99 HZ1 LYS 17 3HZ LYS 17 3.751 -9.993 -3.974
100 HZ2 LYS 17 1HZ LYS 17 3.834 -10.565 -5.564
101 HZ3 LYS 17 2HZ LYS 17 3.459 -8.943 -5.268
102 H GLU 18 H GLU 18 2.410 -4.609 -1.830
103 HA GLU 18 HA GLU 18 0.868 -6.121 0.171
104 HB2 GLU 18 1HB GLU 18 1.727 -3.280 -0.018
105 HB3 GLU 18 2HB GLU 18 0.160 -3.601 0.712
106 HG2 GLU 18 1HG GLU 18 2.215 -3.453 2.233
107 HG3 GLU 18 2HG GLU 18 1.077 -4.776 2.482
108 H THR 19 H THR 19 -1.435 -5.137 0.421
109 HA THR 19 HA THR 19 -2.590 -4.508 -2.202
110 HB THR 19 HB THR 19 -4.478 -6.091 -1.715
111 HG1 THR 19 HG1 THR 19 -2.669 -6.937 0.316
112 HG21 THR 19 3HG2 THR 19 -3.341 -7.254 -3.245
113 HG22 THR 19 1HG2 THR 19 -2.592 -8.131 -1.911
114 HG23 THR 19 2HG2 THR 19 -1.792 -6.716 -2.595
115 H PHE 20 H PHE 20 -4.387 -3.209 -2.156
116 HA PHE 20 HA PHE 20 -5.404 -2.416 0.488
117 HB2 PHE 20 1HB PHE 20 -4.790 -0.520 -1.788
118 HB3 PHE 20 2HB PHE 20 -5.457 -0.078 -0.220
119 HD1 PHE 20 HD2 PHE 20 -2.456 -1.223 -1.996
120 HD2 PHE 20 HD1 PHE 20 -4.067 0.103 1.714
121 HE1 PHE 20 HE2 PHE 20 -0.178 -0.921 -1.119
122 HE2 PHE 20 HE1 PHE 20 -1.791 0.408 2.597
123 HZ PHE 20 HZ PHE 20 0.158 -0.106 1.181
124 H SER 21 H SER 21 -7.572 -2.044 0.626
125 HA SER 21 HA SER 21 -9.184 -3.008 -1.569
126 HB2 SER 21 1HB SER 21 -9.540 -3.475 0.951
127 HB3 SER 21 2HB SER 21 -10.272 -1.872 0.998
128 HG SER 21 HG SER 21 -11.723 -3.709 0.591
129 H ASP 22 H ASP 22 -7.730 -0.305 -1.517
130 HA ASP 22 HA ASP 22 -9.723 1.130 -2.964
131 HB2 ASP 22 1HB ASP 22 -10.111 1.523 -0.372
132 HB3 ASP 22 2HB ASP 22 -8.794 2.673 -0.583
133 H ASN 23 H ASN 23 -8.841 3.498 -3.357
134 HA ASN 23 HA ASN 23 -6.078 3.140 -4.228
135 HB2 ASN 23 1HB ASN 23 -6.498 4.678 -5.890
136 HB3 ASN 23 2HB ASN 23 -8.121 4.041 -5.647
137 HD21 ASN 23 1HD2 ASN 23 -6.312 6.790 -5.902
138 HD22 ASN 23 2HD2 ASN 23 -7.407 7.914 -5.178
139 H ASN 24 H ASN 24 -8.063 5.424 -2.379
140 HA ASN 24 HA ASN 24 -6.224 7.367 -1.784
141 HB2 ASN 24 1HB ASN 24 -8.465 6.195 -0.151
142 HB3 ASN 24 2HB ASN 24 -7.480 7.517 0.467
143 HD21 ASN 24 1HD2 ASN 24 -10.356 7.198 -0.465
144 HD22 ASN 24 2HD2 ASN 24 -10.593 8.537 -1.531
145 H ARG 25 H ARG 25 -6.535 4.167 -0.358
146 HA ARG 25 HA ARG 25 -4.632 4.605 1.722
147 HB2 ARG 25 1HB ARG 25 -5.915 2.157 0.539
148 HB3 ARG 25 2HB ARG 25 -4.635 2.021 1.737
149 HG2 ARG 25 1HG ARG 25 -6.435 1.956 3.114
150 HG3 ARG 25 2HG ARG 25 -6.191 3.703 3.057
151 HD2 ARG 25 1HD ARG 25 -7.787 3.472 0.951
152 HD3 ARG 25 2HD ARG 25 -8.312 2.032 1.821
153 HE ARG 25 HE ARG 25 -8.749 4.789 2.582
154 HH11 ARG 25 1HH1 ARG 25 -8.745 1.453 3.578
155 HH12 ARG 25 2HH1 ARG 25 -9.808 1.717 4.921
156 HH21 ARG 25 1HH2 ARG 25 -10.148 5.149 4.347
157 HH22 ARG 25 2HH2 ARG 25 -10.606 3.820 5.357
158 H LEU 26 H LEU 26 -4.484 3.318 -1.552
159 HA LEU 26 HA LEU 26 -1.786 2.415 -1.371
160 HB2 LEU 26 1HB LEU 26 -3.327 1.485 -2.999
161 HB3 LEU 26 2HB LEU 26 -3.498 3.063 -3.766
162 HG LEU 26 HG LEU 26 -0.923 2.837 -4.148
163 HD11 LEU 26 1HD1 LEU 26 -1.782 0.015 -3.588
164 HD12 LEU 26 2HD1 LEU 26 -0.411 0.902 -2.922
165 HD13 LEU 26 3HD1 LEU 26 -0.396 0.395 -4.611
166 HD21 LEU 26 3HD2 LEU 26 -2.709 2.901 -5.875
167 HD22 LEU 26 1HD2 LEU 26 -2.845 1.148 -5.742
168 HD23 LEU 26 2HD2 LEU 26 -1.341 1.875 -6.307
169 H VAL 27 H VAL 27 -3.251 5.184 -3.080
170 HA VAL 27 HA VAL 27 -1.016 6.436 -4.017
171 HB VAL 27 HB VAL 27 -3.280 7.262 -4.447
172 HG11 VAL 27 1HG1 VAL 27 -3.217 8.446 -1.678
173 HG12 VAL 27 2HG1 VAL 27 -4.544 8.489 -2.840
174 HG13 VAL 27 3HG1 VAL 27 -4.076 6.962 -2.090
175 HG21 VAL 27 3HG2 VAL 27 -2.136 9.060 -5.099
176 HG22 VAL 27 1HG2 VAL 27 -2.520 9.778 -3.534
177 HG23 VAL 27 2HG2 VAL 27 -1.004 8.906 -3.756
178 H GLN 28 H GLN 28 -2.408 6.808 -0.766
179 HA GLN 28 HA GLN 28 -0.456 8.630 0.164
180 HB2 GLN 28 1HB GLN 28 -2.513 6.890 1.462
181 HB3 GLN 28 2HB GLN 28 -1.287 7.657 2.464
182 HG2 GLN 28 1HG GLN 28 -3.000 9.201 0.543
183 HG3 GLN 28 2HG GLN 28 -3.484 8.879 2.208
184 HE21 GLN 28 1HE2 GLN 28 -1.152 10.490 0.164
185 HE22 GLN 28 2HE2 GLN 28 -0.589 11.607 1.355
186 H HIS 29 H HIS 29 -0.664 5.122 0.157
187 HA HIS 29 HA HIS 29 1.524 4.647 1.892
188 HB2 HIS 29 1HB HIS 29 0.154 2.789 1.646
189 HB3 HIS 29 2HB HIS 29 0.005 3.001 -0.096
190 HD1 HIS 29 HD1 HIS 29 1.941 1.228 2.468
191 HD2 HIS 29 HD2 HIS 29 2.317 2.107 -1.575
192 HE1 HIS 29 HE1 HIS 29 3.723 -0.323 1.606
193 H GLN 30 H GLN 30 1.318 4.283 -1.654
194 HA GLN 30 HA GLN 30 3.849 3.725 -2.339
195 HB2 GLN 30 1HB GLN 30 2.113 5.815 -3.663
196 HB3 GLN 30 2HB GLN 30 3.534 5.083 -4.395
197 HG2 GLN 30 1HG GLN 30 2.406 2.862 -4.142
198 HG3 GLN 30 2HG GLN 30 0.953 3.733 -3.655
199 HE21 GLN 30 1HE2 GLN 30 0.688 2.156 -5.753
200 HE22 GLN 30 2HE2 GLN 30 0.613 3.054 -7.227
201 H LYS 31 H LYS 31 2.711 6.846 -1.195
202 HA LYS 31 HA LYS 31 5.031 8.338 -1.756
203 HB2 LYS 31 1HB LYS 31 2.953 8.717 0.406
204 HB3 LYS 31 2HB LYS 31 4.171 9.908 -0.029
205 HG2 LYS 31 1HG LYS 31 3.216 10.240 -2.169
206 HG3 LYS 31 2HG LYS 31 2.165 8.834 -1.990
207 HD2 LYS 31 1HD LYS 31 0.670 10.483 -1.484
208 HD3 LYS 31 2HD LYS 31 1.328 10.190 0.127
209 HE2 LYS 31 1HE LYS 31 2.724 12.091 0.007
210 HE3 LYS 31 2HE LYS 31 2.469 12.263 -1.729
211 HZ1 LYS 31 3HZ LYS 31 0.570 13.376 -1.416
212 HZ2 LYS 31 1HZ LYS 31 1.143 13.644 0.154
213 HZ3 LYS 31 2HZ LYS 31 0.057 12.382 -0.146
214 H MET 32 H MET 32 4.003 6.637 1.192
215 HA MET 32 HA MET 32 6.022 7.283 2.914
216 HB2 MET 32 1HB MET 32 4.420 4.793 2.514
217 HB3 MET 32 2HB MET 32 5.753 4.767 3.661
218 HG2 MET 32 1HG MET 32 3.392 6.631 3.721
219 HG3 MET 32 2HG MET 32 3.658 5.245 4.775
220 HE1 MET 32 3HE MET 32 4.208 5.337 6.742
221 HE2 MET 32 1HE MET 32 5.553 6.182 7.509
222 HE3 MET 32 2HE MET 32 3.954 6.926 7.466
223 H HIS 33 H HIS 33 6.147 5.040 0.213
224 HA HIS 33 HA HIS 33 8.630 3.850 0.813
225 HB2 HIS 33 1HB HIS 33 6.984 4.150 -1.669
226 HB3 HIS 33 2HB HIS 33 8.633 3.543 -1.799
227 HD1 HIS 33 HD1 HIS 33 8.621 1.797 0.793
228 HD2 HIS 33 HD2 HIS 33 5.646 1.800 -2.106
229 HE1 HIS 33 HE1 HIS 33 7.468 -0.427 1.011
230 H THR 34 H THR 34 7.758 6.805 -0.873
231 HA THR 34 HA THR 34 10.496 7.326 -1.673
232 HB THR 34 HB THR 34 9.617 9.419 -2.623
233 HG1 THR 34 HG1 THR 34 7.181 9.505 -2.557
234 HG21 THR 34 3HG2 THR 34 7.556 7.585 -3.595
235 HG22 THR 34 1HG2 THR 34 9.167 6.871 -3.532
236 HG23 THR 34 2HG2 THR 34 8.892 8.347 -4.458
237 H VAL 35 H VAL 35 11.937 8.309 -0.427
238 HA VAL 35 HA VAL 35 11.091 9.582 2.043
239 HB VAL 35 HB VAL 35 13.869 9.088 0.961
240 HG11 VAL 35 1HG1 VAL 35 13.101 10.876 2.921
241 HG12 VAL 35 2HG1 VAL 35 13.591 9.445 3.831
242 HG13 VAL 35 3HG1 VAL 35 14.715 10.200 2.700
243 HG21 VAL 35 3HG2 VAL 35 12.053 7.524 2.753
244 HG22 VAL 35 1HG2 VAL 35 13.038 6.971 1.399
245 HG23 VAL 35 2HG2 VAL 35 13.803 7.397 2.929
246 H LYS 36 H LYS 36 13.242 10.478 -0.661
247 HA LYS 36 HA LYS 36 13.976 12.540 -1.353
248 HB2 LYS 36 1HB LYS 36 12.167 13.989 -2.108
249 HB3 LYS 36 2HB LYS 36 11.796 12.308 -2.467
250 HG2 LYS 36 1HG LYS 36 10.242 12.188 -0.663
251 HG3 LYS 36 2HG LYS 36 10.737 13.772 -0.061
252 HD2 LYS 36 1HD LYS 36 9.684 13.511 -2.846
253 HD3 LYS 36 2HD LYS 36 8.559 13.528 -1.485
254 HE2 LYS 36 1HE LYS 36 9.123 15.694 -0.883
255 HE3 LYS 36 2HE LYS 36 10.679 15.625 -1.707
256 HZ1 LYS 36 3HZ LYS 36 8.063 15.635 -3.107
257 HZ2 LYS 36 1HZ LYS 36 9.596 15.772 -3.810
258 HZ3 LYS 36 2HZ LYS 36 8.997 17.020 -2.839
259 H SER 37 H SER 37 14.370 12.276 1.381
260 HA SER 37 HA SER 37 13.302 14.433 2.879
261 HB2 SER 37 1HB SER 37 14.815 13.802 4.592
262 HB3 SER 37 2HB SER 37 14.395 12.298 3.772
263 HG SER 37 HG SER 37 16.792 13.754 3.715
264 H GLY 38 H GLY 38 16.334 13.994 1.093
265 HA2 GLY 38 1HA GLY 38 16.711 16.430 0.052
266 HA3 GLY 38 2HA GLY 38 17.189 16.701 1.722
267 HA PRO 39 HA PRO 39 21.251 15.445 0.618
268 HB2 PRO 39 1HB PRO 39 22.187 14.774 3.077
269 HB3 PRO 39 2HB PRO 39 21.933 16.448 2.570
270 HG2 PRO 39 1HG PRO 39 20.179 14.688 4.240
271 HG3 PRO 39 2HG PRO 39 20.600 16.394 4.475
272 HD2 PRO 39 1HD PRO 39 18.243 15.609 3.397
273 HD3 PRO 39 2HD PRO 39 19.052 17.118 2.928
274 H SER 40 H SER 40 18.850 13.353 1.458
275 HA SER 40 HA SER 40 19.742 10.992 2.310
276 HB2 SER 40 1HB SER 40 17.483 11.548 1.211
277 HB3 SER 40 2HB SER 40 18.246 11.070 -0.305
278 HG SER 40 HG SER 40 18.840 9.121 1.191
279 H SER 41 H SER 41 21.141 9.414 1.768
280 HA SER 41 HA SER 41 23.190 9.949 -0.107
281 HB2 SER 41 1HB SER 41 23.979 7.659 0.435
282 HB3 SER 41 2HB SER 41 23.621 8.605 1.880
283 HG SER 41 HG SER 41 22.212 6.447 0.765
284 H GLY 42 H GLY 42 20.479 7.647 -0.131
285 HA2 GLY 42 1HA GLY 42 20.047 7.850 -2.902
286 HA3 GLY 42 2HA GLY 42 21.059 6.444 -2.599
Start of MODEL 9
1 H1 GLY 1 H GLY 1 4.113 -25.338 3.702
2 HA2 GLY 1 1HA GLY 1 1.486 -26.334 3.162
3 HA3 GLY 1 2HA GLY 1 2.208 -26.107 4.748
4 H SER 2 H SER 2 0.342 -25.235 5.644
5 HA SER 2 HA SER 2 -1.340 -23.324 4.658
6 HB2 SER 2 1HB SER 2 -1.852 -22.716 6.965
7 HB3 SER 2 2HB SER 2 -1.626 -24.461 6.844
8 HG SER 2 HG SER 2 -0.253 -24.152 8.406
9 H SER 3 H SER 3 -0.525 -21.675 3.465
10 HA SER 3 HA SER 3 1.632 -20.034 4.524
11 HB2 SER 3 1HB SER 3 1.293 -20.790 2.041
12 HB3 SER 3 2HB SER 3 0.172 -19.430 1.972
13 HG SER 3 HG SER 3 2.005 -18.179 2.869
14 H GLY 4 H GLY 4 -1.685 -19.506 3.318
15 HA2 GLY 4 1HA GLY 4 -3.255 -18.218 4.634
16 HA3 GLY 4 2HA GLY 4 -1.900 -17.265 5.223
17 H SER 5 H SER 5 -4.027 -17.865 2.506
18 HA SER 5 HA SER 5 -2.926 -15.635 1.002
19 HB2 SER 5 1HB SER 5 -5.147 -17.602 0.429
20 HB3 SER 5 2HB SER 5 -4.755 -16.258 -0.643
21 HG SER 5 HG SER 5 -3.714 -18.483 -0.921
22 H SER 6 H SER 6 -4.083 -13.769 0.445
23 HA SER 6 HA SER 6 -6.196 -13.076 2.362
24 HB2 SER 6 1HB SER 6 -4.376 -11.550 2.524
25 HB3 SER 6 2HB SER 6 -4.263 -11.387 0.772
26 HG SER 6 HG SER 6 -5.741 -9.969 2.497
27 H GLY 7 H GLY 7 -5.337 -12.495 -1.054
28 HA2 GLY 7 1HA GLY 7 -7.560 -13.335 -2.321
29 HA3 GLY 7 2HA GLY 7 -8.074 -11.781 -1.681
30 H GLU 8 H GLU 8 -8.374 -11.058 -3.850
31 HA GLU 8 HA GLU 8 -5.852 -10.211 -5.098
32 HB2 GLU 8 1HB GLU 8 -8.145 -11.659 -6.352
33 HB3 GLU 8 2HB GLU 8 -7.274 -10.469 -7.310
34 HG2 GLU 8 1HG GLU 8 -5.761 -12.586 -5.853
35 HG3 GLU 8 2HG GLU 8 -6.573 -12.970 -7.370
36 H LYS 9 H LYS 9 -6.098 -8.150 -4.221
37 HA LYS 9 HA LYS 9 -8.514 -6.640 -4.766
38 HB2 LYS 9 1HB LYS 9 -5.922 -5.808 -3.449
39 HB3 LYS 9 2HB LYS 9 -7.376 -4.824 -3.539
40 HG2 LYS 9 1HG LYS 9 -7.372 -7.530 -2.245
41 HG3 LYS 9 2HG LYS 9 -6.930 -6.065 -1.365
42 HD2 LYS 9 1HD LYS 9 -9.146 -5.103 -2.130
43 HD3 LYS 9 2HD LYS 9 -9.565 -6.734 -2.658
44 HE2 LYS 9 1HE LYS 9 -10.462 -6.340 -0.450
45 HE3 LYS 9 2HE LYS 9 -9.177 -7.544 -0.360
46 HZ1 LYS 9 3HZ LYS 9 -8.967 -5.961 1.427
47 HZ2 LYS 9 1HZ LYS 9 -8.933 -4.667 0.337
48 HZ3 LYS 9 2HZ LYS 9 -7.662 -5.783 0.365
49 HA PRO 10 HA PRO 10 -7.169 -4.780 -8.515
50 HB2 PRO 10 1HB PRO 10 -8.537 -2.438 -8.394
51 HB3 PRO 10 2HB PRO 10 -9.315 -3.989 -8.730
52 HG2 PRO 10 1HG PRO 10 -9.153 -2.470 -6.156
53 HG3 PRO 10 2HG PRO 10 -10.538 -3.317 -6.870
54 HD2 PRO 10 1HD PRO 10 -9.037 -4.390 -4.888
55 HD3 PRO 10 2HD PRO 10 -9.811 -5.380 -6.142
56 H TYR 11 H TYR 11 -6.164 -3.770 -5.531
57 HA TYR 11 HA TYR 11 -4.393 -1.738 -6.714
58 HB2 TYR 11 1HB TYR 11 -5.547 -1.644 -3.920
59 HB3 TYR 11 2HB TYR 11 -4.490 -0.445 -4.657
60 HD1 TYR 11 HD1 TYR 11 -5.426 0.531 -6.959
61 HD2 TYR 11 HD2 TYR 11 -7.809 -1.198 -3.887
62 HE1 TYR 11 HE1 TYR 11 -7.389 1.749 -7.804
63 HE2 TYR 11 HE2 TYR 11 -9.778 0.014 -4.724
64 HH TYR 11 HH TYR 11 -10.432 1.010 -7.153
65 H SER 12 H SER 12 -2.434 -2.616 -6.776
66 HA SER 12 HA SER 12 -1.454 -4.003 -4.370
67 HB2 SER 12 1HB SER 12 -0.123 -5.483 -5.882
68 HB3 SER 12 2HB SER 12 -1.866 -5.702 -6.045
69 HG SER 12 HG SER 12 -0.061 -4.436 -7.799
70 H CYS 13 H CYS 13 0.839 -3.885 -4.025
71 HA CYS 13 HA CYS 13 1.975 -1.404 -5.099
72 HB2 CYS 13 1HB CYS 13 1.721 -1.912 -2.566
73 HB3 CYS 13 2HB CYS 13 3.121 -2.956 -2.794
74 H ALA 14 H ALA 14 4.357 -1.379 -5.447
75 HA ALA 14 HA ALA 14 5.216 -3.897 -6.713
76 HB1 ALA 14 3HB ALA 14 5.209 -2.501 -8.499
77 HB2 ALA 14 1HB ALA 14 5.458 -1.059 -7.514
78 HB3 ALA 14 2HB ALA 14 6.819 -2.118 -7.888
79 H GLU 15 H GLU 15 5.934 -1.579 -4.295
80 HA GLU 15 HA GLU 15 8.737 -2.306 -4.097
81 HB2 GLU 15 1HB GLU 15 6.950 -0.335 -2.737
82 HB3 GLU 15 2HB GLU 15 8.434 -0.826 -1.933
83 HG2 GLU 15 1HG GLU 15 8.574 1.261 -3.317
84 HG3 GLU 15 2HG GLU 15 9.778 0.023 -3.671
85 H CYS 16 H CYS 16 5.838 -2.546 -2.041
86 HA CYS 16 HA CYS 16 7.193 -4.657 -0.503
87 HB2 CYS 16 1HB CYS 16 5.714 -4.157 1.322
88 HB3 CYS 16 2HB CYS 16 6.390 -2.637 0.746
89 H LYS 17 H LYS 17 4.725 -4.062 -2.755
90 HA LYS 17 HA LYS 17 3.178 -5.395 -3.759
91 HB2 LYS 17 1HB LYS 17 5.015 -7.382 -2.496
92 HB3 LYS 17 2HB LYS 17 3.490 -7.955 -3.159
93 HG2 LYS 17 1HG LYS 17 4.884 -8.222 -4.954
94 HG3 LYS 17 2HG LYS 17 4.235 -6.612 -5.270
95 HD2 LYS 17 1HD LYS 17 6.205 -5.558 -4.661
96 HD3 LYS 17 2HD LYS 17 6.752 -6.923 -3.684
97 HE2 LYS 17 1HE LYS 17 6.418 -7.240 -6.637
98 HE3 LYS 17 2HE LYS 17 7.855 -6.442 -5.999
99 HZ1 LYS 17 3HZ LYS 17 7.751 -8.627 -4.469
100 HZ2 LYS 17 1HZ LYS 17 8.633 -8.530 -5.910
101 HZ3 LYS 17 2HZ LYS 17 7.096 -9.236 -5.905
102 H GLU 18 H GLU 18 2.312 -4.104 -1.515
103 HA GLU 18 HA GLU 18 0.837 -6.065 0.077
104 HB2 GLU 18 1HB GLU 18 2.054 -4.194 1.200
105 HB3 GLU 18 2HB GLU 18 0.962 -3.065 0.411
106 HG2 GLU 18 1HG GLU 18 0.356 -3.560 2.751
107 HG3 GLU 18 2HG GLU 18 -0.916 -3.951 1.595
108 H THR 19 H THR 19 -1.431 -5.961 0.326
109 HA THR 19 HA THR 19 -2.795 -4.970 -2.061
110 HB THR 19 HB THR 19 -4.741 -6.313 -1.155
111 HG1 THR 19 HG1 THR 19 -3.600 -6.328 1.041
112 HG21 THR 19 3HG2 THR 19 -2.175 -7.337 -2.170
113 HG22 THR 19 1HG2 THR 19 -3.809 -7.560 -2.791
114 HG23 THR 19 2HG2 THR 19 -3.234 -8.549 -1.449
115 H PHE 20 H PHE 20 -4.676 -3.700 -1.965
116 HA PHE 20 HA PHE 20 -5.351 -2.492 0.612
117 HB2 PHE 20 1HB PHE 20 -4.650 -0.893 -1.860
118 HB3 PHE 20 2HB PHE 20 -5.287 -0.224 -0.362
119 HD1 PHE 20 HD2 PHE 20 -2.367 -1.678 -2.008
120 HD2 PHE 20 HD1 PHE 20 -3.902 -0.036 1.607
121 HE1 PHE 20 HE2 PHE 20 -0.076 -1.447 -1.144
122 HE2 PHE 20 HE1 PHE 20 -1.613 0.198 2.477
123 HZ PHE 20 HZ PHE 20 0.304 -0.509 1.102
124 H SER 21 H SER 21 -7.480 -2.222 0.873
125 HA SER 21 HA SER 21 -9.326 -3.260 -0.958
126 HB2 SER 21 1HB SER 21 -11.019 -2.565 0.555
127 HB3 SER 21 2HB SER 21 -9.617 -2.936 1.558
128 HG SER 21 HG SER 21 -10.939 -0.603 1.272
129 H ASP 22 H ASP 22 -8.432 0.091 -0.227
130 HA ASP 22 HA ASP 22 -9.916 0.934 -2.629
131 HB2 ASP 22 1HB ASP 22 -9.119 2.654 -0.272
132 HB3 ASP 22 2HB ASP 22 -10.141 3.127 -1.626
133 H ASN 23 H ASN 23 -8.933 3.142 -3.450
134 HA ASN 23 HA ASN 23 -6.202 2.523 -4.190
135 HB2 ASN 23 1HB ASN 23 -6.459 4.486 -5.718
136 HB3 ASN 23 2HB ASN 23 -7.675 3.236 -5.960
137 HD21 ASN 23 1HD2 ASN 23 -7.051 6.444 -4.780
138 HD22 ASN 23 2HD2 ASN 23 -8.701 6.948 -4.687
139 H ASN 24 H ASN 24 -7.934 5.231 -2.667
140 HA ASN 24 HA ASN 24 -6.026 7.068 -2.234
141 HB2 ASN 24 1HB ASN 24 -7.158 7.741 -0.233
142 HB3 ASN 24 2HB ASN 24 -8.378 7.111 -1.335
143 HD21 ASN 24 1HD2 ASN 24 -7.797 7.271 1.742
144 HD22 ASN 24 2HD2 ASN 24 -8.332 5.722 2.291
145 H ARG 25 H ARG 25 -6.470 4.204 -0.161
146 HA ARG 25 HA ARG 25 -4.350 4.651 1.579
147 HB2 ARG 25 1HB ARG 25 -5.590 2.082 0.597
148 HB3 ARG 25 2HB ARG 25 -4.365 2.129 1.857
149 HG2 ARG 25 1HG ARG 25 -6.052 3.874 2.917
150 HG3 ARG 25 2HG ARG 25 -7.205 2.968 1.935
151 HD2 ARG 25 1HD ARG 25 -5.268 1.455 3.612
152 HD3 ARG 25 2HD ARG 25 -6.625 2.249 4.410
153 HE ARG 25 HE ARG 25 -7.393 0.652 2.149
154 HH11 ARG 25 1HH1 ARG 25 -6.697 0.633 5.559
155 HH12 ARG 25 2HH1 ARG 25 -7.645 -0.782 5.878
156 HH21 ARG 25 1HH2 ARG 25 -8.644 -1.211 2.555
157 HH22 ARG 25 2HH2 ARG 25 -8.751 -1.831 4.167
158 H LEU 26 H LEU 26 -4.386 2.818 -1.467
159 HA LEU 26 HA LEU 26 -1.695 2.031 -1.425
160 HB2 LEU 26 1HB LEU 26 -3.228 0.970 -2.915
161 HB3 LEU 26 2HB LEU 26 -3.600 2.499 -3.707
162 HG LEU 26 HG LEU 26 -1.073 2.458 -4.355
163 HD11 LEU 26 1HD1 LEU 26 -1.618 -0.362 -3.517
164 HD12 LEU 26 2HD1 LEU 26 -0.210 0.648 -3.190
165 HD13 LEU 26 3HD1 LEU 26 -0.468 -0.008 -4.807
166 HD21 LEU 26 3HD2 LEU 26 -1.638 1.214 -6.398
167 HD22 LEU 26 1HD2 LEU 26 -2.897 2.366 -5.951
168 HD23 LEU 26 2HD2 LEU 26 -3.121 0.646 -5.629
169 H VAL 27 H VAL 27 -3.250 4.827 -2.978
170 HA VAL 27 HA VAL 27 -1.021 5.943 -4.192
171 HB VAL 27 HB VAL 27 -3.351 7.402 -2.937
172 HG11 VAL 27 1HG1 VAL 27 -1.884 8.514 -5.254
173 HG12 VAL 27 2HG1 VAL 27 -2.660 9.337 -3.899
174 HG13 VAL 27 3HG1 VAL 27 -1.077 8.588 -3.688
175 HG21 VAL 27 3HG2 VAL 27 -3.405 7.254 -5.798
176 HG22 VAL 27 1HG2 VAL 27 -3.262 5.633 -5.120
177 HG23 VAL 27 2HG2 VAL 27 -4.595 6.679 -4.631
178 H GLN 28 H GLN 28 -2.376 6.857 -1.017
179 HA GLN 28 HA GLN 28 -0.292 8.562 -0.270
180 HB2 GLN 28 1HB GLN 28 -2.445 7.103 1.183
181 HB3 GLN 28 2HB GLN 28 -1.135 7.794 2.132
182 HG2 GLN 28 1HG GLN 28 -1.602 9.992 1.216
183 HG3 GLN 28 2HG GLN 28 -2.879 9.315 0.207
184 HE21 GLN 28 1HE2 GLN 28 -3.497 11.358 1.836
185 HE22 GLN 28 2HE2 GLN 28 -4.461 10.815 3.163
186 H HIS 29 H HIS 29 -0.749 5.098 0.294
187 HA HIS 29 HA HIS 29 1.430 4.659 1.980
188 HB2 HIS 29 1HB HIS 29 -0.099 2.882 1.774
189 HB3 HIS 29 2HB HIS 29 -0.018 2.899 0.015
190 HD1 HIS 29 HD1 HIS 29 1.760 1.621 3.039
191 HD2 HIS 29 HD2 HIS 29 2.136 1.490 -1.097
192 HE1 HIS 29 HE1 HIS 29 3.483 -0.152 2.576
193 H GLN 30 H GLN 30 1.248 4.388 -1.566
194 HA GLN 30 HA GLN 30 3.726 3.543 -2.228
195 HB2 GLN 30 1HB GLN 30 1.956 5.608 -3.482
196 HB3 GLN 30 2HB GLN 30 3.548 5.297 -4.162
197 HG2 GLN 30 1HG GLN 30 2.910 2.884 -4.322
198 HG3 GLN 30 2HG GLN 30 1.275 3.354 -3.860
199 HE21 GLN 30 1HE2 GLN 30 0.680 2.421 -5.918
200 HE22 GLN 30 2HE2 GLN 30 0.819 3.372 -7.354
201 H LYS 31 H LYS 31 2.951 7.001 -1.801
202 HA LYS 31 HA LYS 31 5.433 8.096 -2.043
203 HB2 LYS 31 1HB LYS 31 3.369 8.878 0.025
204 HB3 LYS 31 2HB LYS 31 4.682 9.895 -0.554
205 HG2 LYS 31 1HG LYS 31 3.715 10.106 -2.690
206 HG3 LYS 31 2HG LYS 31 2.578 8.790 -2.389
207 HD2 LYS 31 1HD LYS 31 1.347 10.104 -0.831
208 HD3 LYS 31 2HD LYS 31 2.587 11.360 -0.817
209 HE2 LYS 31 1HE LYS 31 2.111 11.780 -3.216
210 HE3 LYS 31 2HE LYS 31 0.794 10.611 -3.125
211 HZ1 LYS 31 3HZ LYS 31 0.987 13.285 -1.919
212 HZ2 LYS 31 1HZ LYS 31 0.020 12.112 -1.176
213 HZ3 LYS 31 2HZ LYS 31 -0.295 12.582 -2.770
214 H MET 32 H MET 32 4.094 6.506 0.818
215 HA MET 32 HA MET 32 5.932 7.071 2.743
216 HB2 MET 32 1HB MET 32 3.883 5.423 2.708
217 HB3 MET 32 2HB MET 32 5.119 4.213 2.390
218 HG2 MET 32 1HG MET 32 6.304 5.110 4.451
219 HG3 MET 32 2HG MET 32 4.803 5.963 4.803
220 HE1 MET 32 3HE MET 32 5.067 4.959 6.975
221 HE2 MET 32 1HE MET 32 4.208 3.487 7.429
222 HE3 MET 32 2HE MET 32 5.924 3.418 7.025
223 H HIS 33 H HIS 33 6.283 4.697 0.138
224 HA HIS 33 HA HIS 33 8.783 3.679 0.963
225 HB2 HIS 33 1HB HIS 33 7.395 3.741 -1.715
226 HB3 HIS 33 2HB HIS 33 8.958 2.963 -1.478
227 HD1 HIS 33 HD1 HIS 33 8.652 1.353 0.977
228 HD2 HIS 33 HD2 HIS 33 5.545 1.784 -1.747
229 HE1 HIS 33 HE1 HIS 33 7.136 -0.615 1.369
230 H THR 34 H THR 34 7.864 6.392 -1.079
231 HA THR 34 HA THR 34 10.588 6.964 -1.846
232 HB THR 34 HB THR 34 9.664 8.946 -2.956
233 HG1 THR 34 HG1 THR 34 7.772 9.708 -2.393
234 HG21 THR 34 3HG2 THR 34 7.944 6.515 -3.453
235 HG22 THR 34 1HG2 THR 34 9.576 6.737 -4.079
236 HG23 THR 34 2HG2 THR 34 8.281 7.818 -4.591
237 H VAL 35 H VAL 35 11.958 7.821 -0.432
238 HA VAL 35 HA VAL 35 10.953 9.884 1.420
239 HB VAL 35 HB VAL 35 13.196 7.912 1.876
240 HG11 VAL 35 1HG1 VAL 35 14.017 9.591 3.134
241 HG12 VAL 35 2HG1 VAL 35 12.471 10.440 3.198
242 HG13 VAL 35 3HG1 VAL 35 12.775 9.077 4.276
243 HG21 VAL 35 3HG2 VAL 35 10.377 7.816 2.405
244 HG22 VAL 35 1HG2 VAL 35 11.609 6.584 2.683
245 HG23 VAL 35 2HG2 VAL 35 11.278 7.796 3.922
246 H LYS 36 H LYS 36 12.192 11.720 1.737
247 HA LYS 36 HA LYS 36 14.456 12.065 -0.120
248 HB2 LYS 36 1HB LYS 36 12.365 13.335 -0.719
249 HB3 LYS 36 2HB LYS 36 12.553 14.232 0.782
250 HG2 LYS 36 1HG LYS 36 14.873 14.851 -0.080
251 HG3 LYS 36 2HG LYS 36 14.312 14.259 -1.645
252 HD2 LYS 36 1HD LYS 36 12.459 15.848 -1.590
253 HD3 LYS 36 2HD LYS 36 12.994 16.428 -0.010
254 HE2 LYS 36 1HE LYS 36 13.746 17.952 -1.721
255 HE3 LYS 36 2HE LYS 36 15.136 17.117 -1.029
256 HZ1 LYS 36 3HZ LYS 36 15.631 16.822 -3.193
257 HZ2 LYS 36 1HZ LYS 36 14.027 16.963 -3.713
258 HZ3 LYS 36 2HZ LYS 36 14.578 15.505 -3.056
259 H SER 37 H SER 37 16.200 11.865 1.167
260 HA SER 37 HA SER 37 16.327 13.605 3.542
261 HB2 SER 37 1HB SER 37 16.256 10.999 3.853
262 HB3 SER 37 2HB SER 37 17.950 11.090 3.370
263 HG SER 37 HG SER 37 16.957 12.789 5.380
264 H GLY 38 H GLY 38 18.730 13.912 4.215
265 HA2 GLY 38 1HA GLY 38 20.018 15.305 2.125
266 HA3 GLY 38 2HA GLY 38 20.715 14.943 3.697
267 HA PRO 39 HA PRO 39 23.347 11.845 2.057
268 HB2 PRO 39 1HB PRO 39 22.928 9.630 3.570
269 HB3 PRO 39 2HB PRO 39 23.751 11.070 4.182
270 HG2 PRO 39 1HG PRO 39 20.907 10.214 4.552
271 HG3 PRO 39 2HG PRO 39 22.035 10.892 5.740
272 HD2 PRO 39 1HD PRO 39 20.124 12.381 4.531
273 HD3 PRO 39 2HD PRO 39 21.693 13.054 5.018
274 H SER 40 H SER 40 23.362 10.558 0.313
275 HA SER 40 HA SER 40 20.867 9.166 -0.390
276 HB2 SER 40 1HB SER 40 23.128 10.041 -2.205
277 HB3 SER 40 2HB SER 40 21.613 9.298 -2.718
278 HG SER 40 HG SER 40 20.575 11.157 -1.682
279 H SER 41 H SER 41 24.402 8.819 -0.676
280 HA SER 41 HA SER 41 24.030 5.898 -0.685
281 HB2 SER 41 1HB SER 41 25.139 6.852 -2.698
282 HB3 SER 41 2HB SER 41 26.422 7.477 -1.662
283 HG SER 41 HG SER 41 25.759 4.746 -1.587
284 H GLY 42 H GLY 42 26.224 8.443 0.502
285 HA2 GLY 42 1HA GLY 42 27.010 6.618 2.684
286 HA3 GLY 42 2HA GLY 42 27.997 7.941 2.081
Start of MODEL 10
1 H1 GLY 1 H GLY 1 5.124 -9.731 -14.167
2 HA2 GLY 1 1HA GLY 1 3.029 -10.820 -14.212
3 HA3 GLY 1 2HA GLY 1 4.157 -12.149 -13.997
4 H SER 2 H SER 2 3.992 -13.384 -12.224
5 HA SER 2 HA SER 2 2.127 -12.480 -10.129
6 HB2 SER 2 1HB SER 2 1.697 -14.892 -9.705
7 HB3 SER 2 2HB SER 2 1.253 -14.402 -11.340
8 HG SER 2 HG SER 2 3.783 -15.512 -10.746
9 H SER 3 H SER 3 3.463 -11.618 -8.622
10 HA SER 3 HA SER 3 5.766 -13.208 -7.732
11 HB2 SER 3 1HB SER 3 5.081 -10.315 -7.158
12 HB3 SER 3 2HB SER 3 6.549 -11.147 -6.645
13 HG SER 3 HG SER 3 5.831 -11.049 -9.366
14 H GLY 4 H GLY 4 3.288 -11.107 -6.242
15 HA2 GLY 4 1HA GLY 4 3.541 -11.936 -3.631
16 HA3 GLY 4 2HA GLY 4 2.028 -11.394 -4.341
17 H SER 5 H SER 5 2.339 -13.384 -2.305
18 HA SER 5 HA SER 5 1.938 -15.952 -3.575
19 HB2 SER 5 1HB SER 5 1.535 -16.718 -1.200
20 HB3 SER 5 2HB SER 5 3.115 -15.988 -1.487
21 HG SER 5 HG SER 5 1.806 -15.287 0.432
22 H SER 6 H SER 6 -0.020 -13.899 -1.410
23 HA SER 6 HA SER 6 -2.421 -14.888 -2.793
24 HB2 SER 6 1HB SER 6 -2.029 -14.577 0.190
25 HB3 SER 6 2HB SER 6 -3.599 -14.824 -0.573
26 HG SER 6 HG SER 6 -1.404 -16.584 -0.916
27 H GLY 7 H GLY 7 -4.330 -13.467 -2.473
28 HA2 GLY 7 1HA GLY 7 -4.863 -11.147 -1.518
29 HA3 GLY 7 2HA GLY 7 -3.456 -10.653 -2.449
30 H GLU 8 H GLU 8 -6.657 -10.490 -2.487
31 HA GLU 8 HA GLU 8 -6.783 -10.602 -5.427
32 HB2 GLU 8 1HB GLU 8 -8.799 -11.541 -3.403
33 HB3 GLU 8 2HB GLU 8 -9.287 -11.094 -5.032
34 HG2 GLU 8 1HG GLU 8 -8.965 -13.491 -4.836
35 HG3 GLU 8 2HG GLU 8 -7.804 -12.784 -5.958
36 H LYS 9 H LYS 9 -6.012 -8.292 -4.606
37 HA LYS 9 HA LYS 9 -8.426 -6.610 -4.424
38 HB2 LYS 9 1HB LYS 9 -5.775 -6.413 -3.080
39 HB3 LYS 9 2HB LYS 9 -6.575 -4.914 -3.536
40 HG2 LYS 9 1HG LYS 9 -7.362 -5.186 -1.411
41 HG3 LYS 9 2HG LYS 9 -8.629 -6.003 -2.328
42 HD2 LYS 9 1HD LYS 9 -7.150 -8.116 -1.960
43 HD3 LYS 9 2HD LYS 9 -6.450 -7.171 -0.645
44 HE2 LYS 9 1HE LYS 9 -8.401 -7.162 0.567
45 HE3 LYS 9 2HE LYS 9 -9.415 -7.355 -0.862
46 HZ1 LYS 9 3HZ LYS 9 -9.016 -9.324 0.799
47 HZ2 LYS 9 1HZ LYS 9 -7.623 -9.553 -0.134
48 HZ3 LYS 9 2HZ LYS 9 -9.148 -9.602 -0.865
49 HA PRO 10 HA PRO 10 -7.289 -4.882 -8.309
50 HB2 PRO 10 1HB PRO 10 -8.569 -2.496 -8.117
51 HB3 PRO 10 2HB PRO 10 -9.418 -4.023 -8.383
52 HG2 PRO 10 1HG PRO 10 -9.029 -2.489 -5.841
53 HG3 PRO 10 2HG PRO 10 -10.486 -3.296 -6.449
54 HD2 PRO 10 1HD PRO 10 -8.886 -4.402 -4.565
55 HD3 PRO 10 2HD PRO 10 -9.777 -5.376 -5.753
56 H TYR 11 H TYR 11 -6.140 -3.778 -5.370
57 HA TYR 11 HA TYR 11 -4.332 -1.880 -6.713
58 HB2 TYR 11 1HB TYR 11 -5.401 -1.635 -3.894
59 HB3 TYR 11 2HB TYR 11 -4.286 -0.523 -4.680
60 HD1 TYR 11 HD1 TYR 11 -5.119 0.705 -6.770
61 HD2 TYR 11 HD2 TYR 11 -7.712 -1.321 -4.072
62 HE1 TYR 11 HE1 TYR 11 -7.019 2.013 -7.624
63 HE2 TYR 11 HE2 TYR 11 -9.619 -0.019 -4.920
64 HH TYR 11 HH TYR 11 -9.318 2.743 -6.689
65 H SER 12 H SER 12 -2.324 -2.615 -6.706
66 HA SER 12 HA SER 12 -1.320 -3.997 -4.319
67 HB2 SER 12 1HB SER 12 -0.074 -5.573 -5.836
68 HB3 SER 12 2HB SER 12 -1.824 -5.790 -5.840
69 HG SER 12 HG SER 12 -1.945 -4.875 -7.818
70 H CYS 13 H CYS 13 0.978 -3.910 -4.056
71 HA CYS 13 HA CYS 13 2.194 -1.641 -5.487
72 HB2 CYS 13 1HB CYS 13 1.890 -1.212 -3.103
73 HB3 CYS 13 2HB CYS 13 2.757 -2.693 -2.707
74 H ALA 14 H ALA 14 3.953 -1.991 -6.678
75 HA ALA 14 HA ALA 14 5.071 -4.669 -6.777
76 HB1 ALA 14 3HB ALA 14 4.538 -2.848 -8.717
77 HB2 ALA 14 1HB ALA 14 6.269 -2.603 -8.482
78 HB3 ALA 14 2HB ALA 14 5.653 -4.203 -8.895
79 H GLU 15 H GLU 15 5.566 -2.768 -4.497
80 HA GLU 15 HA GLU 15 8.510 -2.759 -4.643
81 HB2 GLU 15 1HB GLU 15 7.104 -0.521 -4.441
82 HB3 GLU 15 2HB GLU 15 7.067 -0.969 -2.741
83 HG2 GLU 15 1HG GLU 15 9.562 -1.124 -2.817
84 HG3 GLU 15 2HG GLU 15 9.488 -0.440 -4.441
85 H CYS 16 H CYS 16 5.767 -2.947 -2.380
86 HA CYS 16 HA CYS 16 7.417 -4.688 -0.668
87 HB2 CYS 16 1HB CYS 16 5.975 -3.964 1.209
88 HB3 CYS 16 2HB CYS 16 6.839 -2.620 0.471
89 H LYS 17 H LYS 17 4.942 -4.716 -2.841
90 HA LYS 17 HA LYS 17 3.359 -6.239 -3.429
91 HB2 LYS 17 1HB LYS 17 4.881 -7.942 -1.449
92 HB3 LYS 17 2HB LYS 17 3.603 -8.553 -2.493
93 HG2 LYS 17 1HG LYS 17 5.599 -9.109 -3.577
94 HG3 LYS 17 2HG LYS 17 4.991 -7.694 -4.439
95 HD2 LYS 17 1HD LYS 17 6.539 -6.259 -3.309
96 HD3 LYS 17 2HD LYS 17 7.036 -7.562 -2.227
97 HE2 LYS 17 1HE LYS 17 7.820 -8.804 -4.276
98 HE3 LYS 17 2HE LYS 17 7.543 -7.320 -5.186
99 HZ1 LYS 17 3HZ LYS 17 9.426 -6.447 -4.428
100 HZ2 LYS 17 1HZ LYS 17 9.831 -7.991 -3.866
101 HZ3 LYS 17 2HZ LYS 17 9.096 -6.878 -2.825
102 H GLU 18 H GLU 18 2.452 -4.368 -1.714
103 HA GLU 18 HA GLU 18 0.916 -5.804 0.335
104 HB2 GLU 18 1HB GLU 18 2.292 -3.732 0.907
105 HB3 GLU 18 2HB GLU 18 1.096 -2.814 0.004
106 HG2 GLU 18 1HG GLU 18 0.556 -2.698 2.324
107 HG3 GLU 18 2HG GLU 18 -0.654 -3.693 1.517
108 H THR 19 H THR 19 -1.331 -5.604 0.469
109 HA THR 19 HA THR 19 -2.616 -4.803 -2.054
110 HB THR 19 HB THR 19 -4.494 -6.274 -1.359
111 HG1 THR 19 HG1 THR 19 -4.383 -7.419 0.489
112 HG21 THR 19 3HG2 THR 19 -1.766 -7.559 -1.496
113 HG22 THR 19 1HG2 THR 19 -2.828 -7.180 -2.851
114 HG23 THR 19 2HG2 THR 19 -3.289 -8.425 -1.690
115 H PHE 20 H PHE 20 -4.529 -3.596 -2.027
116 HA PHE 20 HA PHE 20 -5.374 -2.468 0.538
117 HB2 PHE 20 1HB PHE 20 -4.713 -0.774 -1.880
118 HB3 PHE 20 2HB PHE 20 -5.334 -0.190 -0.339
119 HD1 PHE 20 HD1 PHE 20 -3.909 -0.087 1.619
120 HD2 PHE 20 HD2 PHE 20 -2.411 -1.437 -2.129
121 HE1 PHE 20 HE1 PHE 20 -1.607 0.180 2.446
122 HE2 PHE 20 HE2 PHE 20 -0.107 -1.173 -1.308
123 HZ PHE 20 HZ PHE 20 0.298 -0.364 0.982
124 H SER 21 H SER 21 -7.524 -2.098 0.689
125 HA SER 21 HA SER 21 -9.232 -3.210 -1.299
126 HB2 SER 21 1HB SER 21 -11.069 -2.465 0.192
127 HB3 SER 21 2HB SER 21 -9.818 -3.349 1.064
128 HG SER 21 HG SER 21 -10.010 -1.624 2.306
129 H ASP 22 H ASP 22 -8.336 0.058 -0.368
130 HA ASP 22 HA ASP 22 -9.912 1.076 -2.642
131 HB2 ASP 22 1HB ASP 22 -10.409 1.793 -0.140
132 HB3 ASP 22 2HB ASP 22 -9.060 2.889 -0.427
133 H ASN 23 H ASN 23 -9.000 3.172 -3.533
134 HA ASN 23 HA ASN 23 -6.262 2.710 -4.261
135 HB2 ASN 23 1HB ASN 23 -7.510 3.523 -6.049
136 HB3 ASN 23 2HB ASN 23 -8.365 4.694 -5.050
137 HD21 ASN 23 1HD2 ASN 23 -5.409 3.984 -6.744
138 HD22 ASN 23 2HD2 ASN 23 -4.796 5.599 -6.758
139 H ASN 24 H ASN 24 -7.991 5.337 -2.592
140 HA ASN 24 HA ASN 24 -6.127 7.164 -2.061
141 HB2 ASN 24 1HB ASN 24 -8.206 5.965 -0.269
142 HB3 ASN 24 2HB ASN 24 -7.095 7.165 0.385
143 HD21 ASN 24 1HD2 ASN 24 -10.021 6.733 -1.042
144 HD22 ASN 24 2HD2 ASN 24 -10.275 8.324 -1.667
145 H ARG 25 H ARG 25 -6.463 4.253 -0.021
146 HA ARG 25 HA ARG 25 -4.275 4.618 1.608
147 HB2 ARG 25 1HB ARG 25 -5.761 2.232 0.632
148 HB3 ARG 25 2HB ARG 25 -4.214 1.955 1.420
149 HG2 ARG 25 1HG ARG 25 -5.584 1.833 3.225
150 HG3 ARG 25 2HG ARG 25 -5.251 3.566 3.237
151 HD2 ARG 25 1HD ARG 25 -7.560 2.590 1.639
152 HD3 ARG 25 2HD ARG 25 -7.716 2.611 3.395
153 HE ARG 25 HE ARG 25 -7.582 4.895 1.627
154 HH11 ARG 25 1HH1 ARG 25 -7.288 3.721 4.892
155 HH12 ARG 25 2HH1 ARG 25 -7.578 5.269 5.613
156 HH21 ARG 25 1HH2 ARG 25 -7.964 6.938 2.565
157 HH22 ARG 25 2HH2 ARG 25 -7.963 7.098 4.289
158 H LEU 26 H LEU 26 -4.362 2.913 -1.515
159 HA LEU 26 HA LEU 26 -1.650 2.229 -1.612
160 HB2 LEU 26 1HB LEU 26 -3.321 1.249 -3.085
161 HB3 LEU 26 2HB LEU 26 -3.558 2.808 -3.873
162 HG LEU 26 HG LEU 26 -1.082 2.630 -4.529
163 HD11 LEU 26 1HD1 LEU 26 0.017 0.898 -3.671
164 HD12 LEU 26 2HD1 LEU 26 -0.900 -0.121 -4.780
165 HD13 LEU 26 3HD1 LEU 26 -1.474 0.124 -3.131
166 HD21 LEU 26 3HD2 LEU 26 -3.023 2.385 -6.057
167 HD22 LEU 26 1HD2 LEU 26 -3.014 0.652 -5.731
168 HD23 LEU 26 2HD2 LEU 26 -1.631 1.407 -6.524
169 H VAL 27 H VAL 27 -3.354 5.081 -2.856
170 HA VAL 27 HA VAL 27 -1.229 6.327 -4.146
171 HB VAL 27 HB VAL 27 -3.512 7.632 -2.657
172 HG11 VAL 27 1HG1 VAL 27 -3.069 9.610 -3.919
173 HG12 VAL 27 2HG1 VAL 27 -1.560 9.122 -3.144
174 HG13 VAL 27 3HG1 VAL 27 -1.818 8.798 -4.859
175 HG21 VAL 27 3HG2 VAL 27 -3.218 6.490 -5.400
176 HG22 VAL 27 1HG2 VAL 27 -4.562 6.360 -4.265
177 HG23 VAL 27 2HG2 VAL 27 -4.289 7.867 -5.141
178 H GLN 28 H GLN 28 -2.393 6.953 -0.829
179 HA GLN 28 HA GLN 28 -0.278 8.656 -0.109
180 HB2 GLN 28 1HB GLN 28 -2.212 7.004 1.499
181 HB3 GLN 28 2HB GLN 28 -0.977 7.990 2.272
182 HG2 GLN 28 1HG GLN 28 -2.713 9.454 2.290
183 HG3 GLN 28 2HG GLN 28 -1.989 9.869 0.737
184 HE21 GLN 28 1HE2 GLN 28 -3.141 9.600 -1.087
185 HE22 GLN 28 2HE2 GLN 28 -4.749 8.971 -1.145
186 H HIS 29 H HIS 29 -0.713 5.166 0.274
187 HA HIS 29 HA HIS 29 1.508 4.604 1.845
188 HB2 HIS 29 1HB HIS 29 0.083 2.793 1.557
189 HB3 HIS 29 2HB HIS 29 -0.042 3.037 -0.183
190 HD1 HIS 29 HD1 HIS 29 2.284 1.621 2.422
191 HD2 HIS 29 HD2 HIS 29 1.786 1.642 -1.703
192 HE1 HIS 29 HE1 HIS 29 3.910 -0.083 1.540
193 H GLN 30 H GLN 30 1.283 4.513 -1.713
194 HA GLN 30 HA GLN 30 3.786 3.814 -2.436
195 HB2 GLN 30 1HB GLN 30 1.991 5.935 -3.592
196 HB3 GLN 30 2HB GLN 30 3.533 5.530 -4.335
197 HG2 GLN 30 1HG GLN 30 2.828 3.280 -4.729
198 HG3 GLN 30 2HG GLN 30 1.348 3.534 -3.806
199 HE21 GLN 30 1HE2 GLN 30 1.760 2.700 -6.593
200 HE22 GLN 30 2HE2 GLN 30 0.875 3.831 -7.554
201 H LYS 31 H LYS 31 2.808 7.057 -1.383
202 HA LYS 31 HA LYS 31 5.313 8.292 -1.729
203 HB2 LYS 31 1HB LYS 31 2.998 8.939 0.098
204 HB3 LYS 31 2HB LYS 31 4.416 9.967 -0.062
205 HG2 LYS 31 1HG LYS 31 3.941 10.250 -2.444
206 HG3 LYS 31 2HG LYS 31 2.513 9.227 -2.276
207 HD2 LYS 31 1HD LYS 31 2.855 11.660 -0.562
208 HD3 LYS 31 2HD LYS 31 2.237 11.803 -2.209
209 HE2 LYS 31 1HE LYS 31 0.490 10.125 -1.624
210 HE3 LYS 31 2HE LYS 31 1.061 10.178 0.042
211 HZ1 LYS 31 3HZ LYS 31 0.325 12.344 0.310
212 HZ2 LYS 31 1HZ LYS 31 -0.908 11.648 -0.617
213 HZ3 LYS 31 2HZ LYS 31 0.243 12.645 -1.353
214 H MET 32 H MET 32 3.875 6.587 1.010
215 HA MET 32 HA MET 32 5.610 7.161 3.038
216 HB2 MET 32 1HB MET 32 3.583 5.472 2.850
217 HB3 MET 32 2HB MET 32 4.872 4.296 2.637
218 HG2 MET 32 1HG MET 32 5.870 5.295 4.774
219 HG3 MET 32 2HG MET 32 4.284 6.025 5.006
220 HE1 MET 32 3HE MET 32 4.491 4.692 7.399
221 HE2 MET 32 1HE MET 32 2.868 4.945 6.756
222 HE3 MET 32 2HE MET 32 3.306 3.386 7.454
223 H HIS 33 H HIS 33 6.191 5.143 0.240
224 HA HIS 33 HA HIS 33 8.557 3.895 1.151
225 HB2 HIS 33 1HB HIS 33 7.326 4.365 -1.540
226 HB3 HIS 33 2HB HIS 33 8.971 3.745 -1.434
227 HD1 HIS 33 HD1 HIS 33 9.010 1.580 0.449
228 HD2 HIS 33 HD2 HIS 33 5.583 2.330 -1.777
229 HE1 HIS 33 HE1 HIS 33 7.706 -0.570 0.477
230 H THR 34 H THR 34 7.917 6.961 -0.432
231 HA THR 34 HA THR 34 10.744 7.536 -0.761
232 HB THR 34 HB THR 34 9.949 9.729 -1.649
233 HG1 THR 34 HG1 THR 34 7.589 9.733 -2.087
234 HG21 THR 34 3HG2 THR 34 10.042 7.359 -2.902
235 HG22 THR 34 1HG2 THR 34 9.571 8.853 -3.712
236 HG23 THR 34 2HG2 THR 34 8.335 7.737 -3.131
237 H VAL 35 H VAL 35 11.509 7.610 1.364
238 HA VAL 35 HA VAL 35 10.416 8.921 3.532
239 HB VAL 35 HB VAL 35 13.345 8.666 2.837
240 HG11 VAL 35 1HG1 VAL 35 11.951 9.841 5.131
241 HG12 VAL 35 2HG1 VAL 35 13.196 8.664 5.555
242 HG13 VAL 35 3HG1 VAL 35 13.607 10.068 4.569
243 HG21 VAL 35 3HG2 VAL 35 11.427 6.710 3.469
244 HG22 VAL 35 1HG2 VAL 35 13.177 6.516 3.368
245 HG23 VAL 35 2HG2 VAL 35 12.422 6.916 4.911
246 H LYS 36 H LYS 36 10.396 10.981 4.305
247 HA LYS 36 HA LYS 36 11.915 13.083 3.043
248 HB2 LYS 36 1HB LYS 36 10.051 14.402 2.283
249 HB3 LYS 36 2HB LYS 36 9.948 12.812 1.538
250 HG2 LYS 36 1HG LYS 36 8.148 12.169 2.884
251 HG3 LYS 36 2HG LYS 36 8.435 13.472 4.040
252 HD2 LYS 36 1HD LYS 36 6.671 14.363 2.895
253 HD3 LYS 36 2HD LYS 36 7.997 14.973 1.903
254 HE2 LYS 36 1HE LYS 36 6.457 12.438 1.352
255 HE3 LYS 36 2HE LYS 36 6.138 13.992 0.584
256 HZ1 LYS 36 3HZ LYS 36 7.537 13.151 -0.952
257 HZ2 LYS 36 1HZ LYS 36 8.311 12.111 0.135
258 HZ3 LYS 36 2HZ LYS 36 8.727 13.750 0.090
259 H SER 37 H SER 37 12.133 14.876 4.335
260 HA SER 37 HA SER 37 11.434 14.545 7.094
261 HB2 SER 37 1HB SER 37 12.778 16.826 5.627
262 HB3 SER 37 2HB SER 37 12.589 16.745 7.379
263 HG SER 37 HG SER 37 13.841 14.848 7.362
264 H GLY 38 H GLY 38 9.745 15.353 8.171
265 HA2 GLY 38 1HA GLY 38 7.454 16.299 7.053
266 HA3 GLY 38 2HA GLY 38 7.940 16.692 8.696
267 HA PRO 39 HA PRO 39 8.127 20.396 5.613
268 HB2 PRO 39 1HB PRO 39 5.578 21.323 5.725
269 HB3 PRO 39 2HB PRO 39 6.129 20.175 4.500
270 HG2 PRO 39 1HG PRO 39 4.623 19.662 7.035
271 HG3 PRO 39 2HG PRO 39 4.369 18.969 5.423
272 HD2 PRO 39 1HD PRO 39 5.669 17.640 7.391
273 HD3 PRO 39 2HD PRO 39 6.073 17.438 5.675
274 H SER 40 H SER 40 7.279 19.639 8.766
275 HA SER 40 HA SER 40 6.395 21.770 10.103
276 HB2 SER 40 1HB SER 40 7.345 19.679 11.126
277 HB3 SER 40 2HB SER 40 8.952 20.378 10.925
278 HG SER 40 HG SER 40 7.821 22.247 12.127
279 H SER 41 H SER 41 6.879 23.852 10.415
280 HA SER 41 HA SER 41 9.565 24.857 10.163
281 HB2 SER 41 1HB SER 41 8.838 24.754 7.794
282 HB3 SER 41 2HB SER 41 7.470 25.795 8.188
283 HG SER 41 HG SER 41 9.061 27.360 8.895
284 H GLY 42 H GLY 42 9.851 26.711 11.303
285 HA2 GLY 42 1HA GLY 42 8.308 27.514 13.335
286 HA3 GLY 42 2HA GLY 42 9.288 28.663 12.435
Start of MODEL 11
1 H1 GLY 1 H GLY 1 2.036 -28.592 2.892
2 HA2 GLY 1 1HA GLY 1 2.296 -26.540 4.240
3 HA3 GLY 1 2HA GLY 1 3.739 -26.834 3.280
4 H SER 2 H SER 2 0.524 -25.358 2.809
5 HA SER 2 HA SER 2 1.573 -22.786 2.262
6 HB2 SER 2 1HB SER 2 2.292 -23.922 0.176
7 HB3 SER 2 2HB SER 2 0.608 -24.327 -0.159
8 HG SER 2 HG SER 2 1.647 -22.290 -1.083
9 H SER 3 H SER 3 -0.019 -21.239 2.208
10 HA SER 3 HA SER 3 -2.740 -22.229 2.687
11 HB2 SER 3 1HB SER 3 -1.378 -20.621 4.281
12 HB3 SER 3 2HB SER 3 -1.955 -19.382 3.167
13 HG SER 3 HG SER 3 -3.623 -21.259 4.489
14 H GLY 4 H GLY 4 -0.936 -19.816 0.820
15 HA2 GLY 4 1HA GLY 4 -1.411 -19.179 -1.389
16 HA3 GLY 4 2HA GLY 4 -2.994 -19.928 -1.241
17 H SER 5 H SER 5 -3.550 -17.851 -2.373
18 HA SER 5 HA SER 5 -3.668 -15.540 -0.588
19 HB2 SER 5 1HB SER 5 -4.160 -15.914 -3.537
20 HB3 SER 5 2HB SER 5 -4.656 -14.442 -2.701
21 HG SER 5 HG SER 5 -2.528 -14.042 -2.178
22 H SER 6 H SER 6 -5.614 -14.477 -0.084
23 HA SER 6 HA SER 6 -7.880 -16.273 0.146
24 HB2 SER 6 1HB SER 6 -7.387 -13.489 1.223
25 HB3 SER 6 2HB SER 6 -8.854 -14.420 1.527
26 HG SER 6 HG SER 6 -7.767 -15.755 2.807
27 H GLY 7 H GLY 7 -7.342 -12.961 -1.071
28 HA2 GLY 7 1HA GLY 7 -9.019 -13.416 -3.348
29 HA3 GLY 7 2HA GLY 7 -9.817 -12.432 -2.130
30 H GLU 8 H GLU 8 -7.107 -12.611 -4.353
31 HA GLU 8 HA GLU 8 -5.650 -10.408 -3.976
32 HB2 GLU 8 1HB GLU 8 -5.352 -10.196 -6.365
33 HB3 GLU 8 2HB GLU 8 -5.458 -11.899 -5.945
34 HG2 GLU 8 1HG GLU 8 -7.754 -11.977 -6.704
35 HG3 GLU 8 2HG GLU 8 -7.719 -10.249 -7.050
36 H LYS 9 H LYS 9 -5.718 -8.192 -4.554
37 HA LYS 9 HA LYS 9 -8.451 -7.097 -4.703
38 HB2 LYS 9 1HB LYS 9 -6.056 -6.303 -3.128
39 HB3 LYS 9 2HB LYS 9 -7.091 -5.013 -3.727
40 HG2 LYS 9 1HG LYS 9 -8.065 -5.374 -1.708
41 HG3 LYS 9 2HG LYS 9 -8.985 -6.524 -2.681
42 HD2 LYS 9 1HD LYS 9 -7.838 -8.354 -1.830
43 HD3 LYS 9 2HD LYS 9 -6.458 -7.378 -1.322
44 HE2 LYS 9 1HE LYS 9 -8.112 -6.268 0.305
45 HE3 LYS 9 2HE LYS 9 -9.153 -7.651 -0.030
46 HZ1 LYS 9 3HZ LYS 9 -6.385 -7.790 1.039
47 HZ2 LYS 9 1HZ LYS 9 -7.384 -9.117 0.716
48 HZ3 LYS 9 2HZ LYS 9 -7.802 -8.021 1.934
49 HA PRO 10 HA PRO 10 -7.483 -4.952 -8.406
50 HB2 PRO 10 1HB PRO 10 -8.739 -2.572 -8.048
51 HB3 PRO 10 2HB PRO 10 -9.609 -4.082 -8.346
52 HG2 PRO 10 1HG PRO 10 -9.099 -2.669 -5.757
53 HG3 PRO 10 2HG PRO 10 -10.586 -3.441 -6.336
54 HD2 PRO 10 1HD PRO 10 -8.912 -4.640 -4.578
55 HD3 PRO 10 2HD PRO 10 -9.860 -5.554 -5.769
56 H TYR 11 H TYR 11 -6.317 -3.856 -5.423
57 HA TYR 11 HA TYR 11 -4.496 -1.977 -6.777
58 HB2 TYR 11 1HB TYR 11 -5.431 -1.769 -3.911
59 HB3 TYR 11 2HB TYR 11 -4.435 -0.611 -4.786
60 HD1 TYR 11 HD1 TYR 11 -5.537 0.389 -6.956
61 HD2 TYR 11 HD2 TYR 11 -7.709 -1.391 -3.760
62 HE1 TYR 11 HE1 TYR 11 -7.557 1.600 -7.663
63 HE2 TYR 11 HE2 TYR 11 -9.736 -0.186 -4.459
64 HH TYR 11 HH TYR 11 -10.275 1.030 -7.271
65 H SER 12 H SER 12 -2.466 -2.648 -6.777
66 HA SER 12 HA SER 12 -1.462 -4.162 -4.469
67 HB2 SER 12 1HB SER 12 -0.273 -5.708 -5.934
68 HB3 SER 12 2HB SER 12 -1.999 -5.755 -6.293
69 HG SER 12 HG SER 12 -0.437 -3.956 -7.738
70 H CYS 13 H CYS 13 0.829 -4.046 -4.160
71 HA CYS 13 HA CYS 13 2.014 -1.649 -5.395
72 HB2 CYS 13 1HB CYS 13 1.598 -1.581 -2.918
73 HB3 CYS 13 2HB CYS 13 2.753 -2.898 -2.743
74 H ALA 14 H ALA 14 3.994 -1.753 -6.334
75 HA ALA 14 HA ALA 14 5.142 -4.434 -6.652
76 HB1 ALA 14 3HB ALA 14 5.209 -3.862 -8.796
77 HB2 ALA 14 1HB ALA 14 4.744 -2.202 -8.420
78 HB3 ALA 14 2HB ALA 14 6.444 -2.670 -8.390
79 H GLU 15 H GLU 15 5.574 -2.827 -4.256
80 HA GLU 15 HA GLU 15 8.503 -2.609 -4.420
81 HB2 GLU 15 1HB GLU 15 6.566 -0.713 -3.104
82 HB3 GLU 15 2HB GLU 15 8.264 -0.776 -2.651
83 HG2 GLU 15 1HG GLU 15 8.328 0.896 -4.187
84 HG3 GLU 15 2HG GLU 15 8.628 -0.488 -5.236
85 H CYS 16 H CYS 16 5.689 -3.056 -2.315
86 HA CYS 16 HA CYS 16 7.378 -4.709 -0.554
87 HB2 CYS 16 1HB CYS 16 5.932 -4.019 1.329
88 HB3 CYS 16 2HB CYS 16 6.775 -2.654 0.603
89 H LYS 17 H LYS 17 4.905 -4.729 -2.732
90 HA LYS 17 HA LYS 17 3.353 -6.271 -3.351
91 HB2 LYS 17 1HB LYS 17 4.815 -7.980 -1.330
92 HB3 LYS 17 2HB LYS 17 3.599 -8.581 -2.449
93 HG2 LYS 17 1HG LYS 17 6.104 -7.198 -3.363
94 HG3 LYS 17 2HG LYS 17 6.004 -8.942 -3.108
95 HD2 LYS 17 1HD LYS 17 4.051 -7.493 -4.871
96 HD3 LYS 17 2HD LYS 17 5.611 -8.051 -5.481
97 HE2 LYS 17 1HE LYS 17 3.656 -9.858 -4.078
98 HE3 LYS 17 2HE LYS 17 3.650 -9.614 -5.823
99 HZ1 LYS 17 3HZ LYS 17 6.116 -10.261 -5.649
100 HZ2 LYS 17 1HZ LYS 17 4.952 -11.485 -5.555
101 HZ3 LYS 17 2HZ LYS 17 5.695 -10.914 -4.147
102 H GLU 18 H GLU 18 2.485 -4.387 -1.567
103 HA GLU 18 HA GLU 18 0.854 -5.860 0.382
104 HB2 GLU 18 1HB GLU 18 2.311 -3.855 1.055
105 HB3 GLU 18 2HB GLU 18 1.120 -2.866 0.222
106 HG2 GLU 18 1HG GLU 18 0.690 -4.623 2.621
107 HG3 GLU 18 2HG GLU 18 0.585 -2.866 2.536
108 H THR 19 H THR 19 -1.262 -6.112 0.080
109 HA THR 19 HA THR 19 -2.488 -4.928 -2.279
110 HB THR 19 HB THR 19 -4.397 -6.435 -1.771
111 HG1 THR 19 HG1 THR 19 -4.290 -6.713 0.420
112 HG21 THR 19 3HG2 THR 19 -3.385 -8.309 -2.652
113 HG22 THR 19 1HG2 THR 19 -1.949 -8.141 -1.643
114 HG23 THR 19 2HG2 THR 19 -2.182 -7.076 -3.029
115 H PHE 20 H PHE 20 -4.056 -3.415 -2.270
116 HA PHE 20 HA PHE 20 -5.028 -2.487 0.353
117 HB2 PHE 20 1HB PHE 20 -4.489 -0.802 -2.102
118 HB3 PHE 20 2HB PHE 20 -5.092 -0.213 -0.557
119 HD1 PHE 20 HD2 PHE 20 -2.177 -1.684 -2.266
120 HD2 PHE 20 HD1 PHE 20 -3.629 0.235 1.245
121 HE1 PHE 20 HE2 PHE 20 0.136 -1.346 -1.498
122 HE2 PHE 20 HE1 PHE 20 -1.318 0.576 2.018
123 HZ PHE 20 HZ PHE 20 0.568 -0.216 0.647
124 H SER 21 H SER 21 -7.176 -1.852 0.517
125 HA SER 21 HA SER 21 -8.939 -3.058 -1.440
126 HB2 SER 21 1HB SER 21 -10.724 -2.539 0.184
127 HB3 SER 21 2HB SER 21 -9.387 -3.402 0.945
128 HG SER 21 HG SER 21 -10.325 -0.866 1.397
129 H ASP 22 H ASP 22 -8.053 0.141 -0.312
130 HA ASP 22 HA ASP 22 -9.788 1.298 -2.396
131 HB2 ASP 22 1HB ASP 22 -9.046 2.350 0.329
132 HB3 ASP 22 2HB ASP 22 -9.663 3.404 -0.940
133 H ASN 23 H ASN 23 -8.916 2.756 -3.801
134 HA ASN 23 HA ASN 23 -6.191 2.658 -4.363
135 HB2 ASN 23 1HB ASN 23 -7.413 3.327 -6.196
136 HB3 ASN 23 2HB ASN 23 -8.456 4.384 -5.249
137 HD21 ASN 23 1HD2 ASN 23 -5.599 4.128 -7.113
138 HD22 ASN 23 2HD2 ASN 23 -5.132 5.790 -7.038
139 H ASN 24 H ASN 24 -8.059 5.216 -2.746
140 HA ASN 24 HA ASN 24 -6.191 7.143 -2.355
141 HB2 ASN 24 1HB ASN 24 -8.053 6.184 -0.174
142 HB3 ASN 24 2HB ASN 24 -7.378 7.800 -0.355
143 HD21 ASN 24 1HD2 ASN 24 -9.905 5.692 -1.170
144 HD22 ASN 24 2HD2 ASN 24 -10.755 6.743 -2.247
145 H ARG 25 H ARG 25 -6.636 4.297 -0.262
146 HA ARG 25 HA ARG 25 -4.579 4.822 1.539
147 HB2 ARG 25 1HB ARG 25 -5.669 2.174 0.572
148 HB3 ARG 25 2HB ARG 25 -4.584 2.352 1.944
149 HG2 ARG 25 1HG ARG 25 -6.335 3.921 2.919
150 HG3 ARG 25 2HG ARG 25 -7.416 3.297 1.671
151 HD2 ARG 25 1HD ARG 25 -7.461 1.179 2.582
152 HD3 ARG 25 2HD ARG 25 -5.912 1.385 3.398
153 HE ARG 25 HE ARG 25 -8.056 3.061 4.377
154 HH11 ARG 25 1HH1 ARG 25 -6.328 0.056 4.695
155 HH12 ARG 25 2HH1 ARG 25 -6.807 -0.196 6.341
156 HH21 ARG 25 1HH2 ARG 25 -8.693 2.741 6.544
157 HH22 ARG 25 2HH2 ARG 25 -8.153 1.332 7.391
158 H LEU 26 H LEU 26 -4.504 3.009 -1.512
159 HA LEU 26 HA LEU 26 -1.820 2.204 -1.381
160 HB2 LEU 26 1HB LEU 26 -3.322 1.184 -2.942
161 HB3 LEU 26 2HB LEU 26 -3.623 2.729 -3.735
162 HG LEU 26 HG LEU 26 -1.131 2.682 -4.345
163 HD11 LEU 26 1HD1 LEU 26 -0.944 0.605 -2.698
164 HD12 LEU 26 2HD1 LEU 26 0.096 0.788 -4.110
165 HD13 LEU 26 3HD1 LEU 26 -1.312 -0.270 -4.184
166 HD21 LEU 26 3HD2 LEU 26 -2.769 2.431 -6.042
167 HD22 LEU 26 1HD2 LEU 26 -3.160 0.793 -5.519
168 HD23 LEU 26 2HD2 LEU 26 -1.600 1.130 -6.271
169 H VAL 27 H VAL 27 -3.276 4.971 -3.095
170 HA VAL 27 HA VAL 27 -1.007 6.106 -4.155
171 HB VAL 27 HB VAL 27 -3.396 7.544 -2.992
172 HG11 VAL 27 1HG1 VAL 27 -2.756 9.452 -4.291
173 HG12 VAL 27 2HG1 VAL 27 -1.381 8.981 -3.290
174 HG13 VAL 27 3HG1 VAL 27 -1.404 8.573 -5.006
175 HG21 VAL 27 3HG2 VAL 27 -3.174 5.840 -5.211
176 HG22 VAL 27 1HG2 VAL 27 -4.528 6.887 -4.788
177 HG23 VAL 27 2HG2 VAL 27 -3.257 7.478 -5.859
178 H GLN 28 H GLN 28 -2.445 6.874 -0.982
179 HA GLN 28 HA GLN 28 -0.422 8.624 -0.143
180 HB2 GLN 28 1HB GLN 28 -2.226 6.885 1.548
181 HB3 GLN 28 2HB GLN 28 -1.308 8.270 2.123
182 HG2 GLN 28 1HG GLN 28 -2.595 9.740 0.668
183 HG3 GLN 28 2HG GLN 28 -3.508 8.355 0.072
184 HE21 GLN 28 1HE2 GLN 28 -4.948 10.335 1.060
185 HE22 GLN 28 2HE2 GLN 28 -5.580 9.951 2.621
186 H HIS 29 H HIS 29 -0.836 5.140 0.368
187 HA HIS 29 HA HIS 29 1.286 4.664 2.079
188 HB2 HIS 29 1HB HIS 29 -0.042 2.800 1.755
189 HB3 HIS 29 2HB HIS 29 -0.114 3.022 0.010
190 HD1 HIS 29 HD1 HIS 29 1.911 1.438 2.701
191 HD2 HIS 29 HD2 HIS 29 2.048 1.917 -1.424
192 HE1 HIS 29 HE1 HIS 29 3.671 -0.168 1.896
193 H GLN 30 H GLN 30 1.297 4.728 -1.474
194 HA GLN 30 HA GLN 30 3.892 3.995 -1.984
195 HB2 GLN 30 1HB GLN 30 2.207 6.085 -3.367
196 HB3 GLN 30 2HB GLN 30 3.735 5.489 -4.001
197 HG2 GLN 30 1HG GLN 30 2.763 3.198 -4.000
198 HG3 GLN 30 2HG GLN 30 1.216 3.911 -3.546
199 HE21 GLN 30 1HE2 GLN 30 1.456 2.423 -5.826
200 HE22 GLN 30 2HE2 GLN 30 1.295 3.445 -7.210
201 H LYS 31 H LYS 31 2.691 7.099 -0.854
202 HA LYS 31 HA LYS 31 4.876 8.726 -1.240
203 HB2 LYS 31 1HB LYS 31 3.148 8.684 1.240
204 HB3 LYS 31 2HB LYS 31 4.087 10.045 0.642
205 HG2 LYS 31 1HG LYS 31 2.050 8.860 -1.162
206 HG3 LYS 31 2HG LYS 31 1.495 9.834 0.201
207 HD2 LYS 31 1HD LYS 31 1.733 11.484 -1.356
208 HD3 LYS 31 2HD LYS 31 3.370 11.481 -0.695
209 HE2 LYS 31 1HE LYS 31 3.713 9.644 -2.581
210 HE3 LYS 31 2HE LYS 31 2.368 10.512 -3.319
211 HZ1 LYS 31 3HZ LYS 31 4.658 11.301 -3.931
212 HZ2 LYS 31 1HZ LYS 31 4.809 11.880 -2.349
213 HZ3 LYS 31 2HZ LYS 31 3.605 12.497 -3.363
214 H MET 32 H MET 32 4.301 6.456 1.424
215 HA MET 32 HA MET 32 6.554 7.060 2.956
216 HB2 MET 32 1HB MET 32 4.842 4.623 2.649
217 HB3 MET 32 2HB MET 32 6.309 4.534 3.615
218 HG2 MET 32 1HG MET 32 5.318 6.673 4.754
219 HG3 MET 32 2HG MET 32 3.801 6.052 4.108
220 HE1 MET 32 3HE MET 32 3.243 5.192 7.625
221 HE2 MET 32 1HE MET 32 4.809 5.991 7.764
222 HE3 MET 32 2HE MET 32 3.607 6.600 6.626
223 H HIS 33 H HIS 33 6.174 4.991 0.142
224 HA HIS 33 HA HIS 33 8.728 3.760 0.296
225 HB2 HIS 33 1HB HIS 33 6.645 4.045 -1.838
226 HB3 HIS 33 2HB HIS 33 8.239 3.424 -2.258
227 HD1 HIS 33 HD1 HIS 33 8.907 1.484 -0.148
228 HD2 HIS 33 HD2 HIS 33 5.016 1.922 -1.536
229 HE1 HIS 33 HE1 HIS 33 7.745 -0.673 0.417
230 H THR 34 H THR 34 7.521 6.692 -1.222
231 HA THR 34 HA THR 34 9.954 7.235 -2.645
232 HB THR 34 HB THR 34 8.957 9.409 -3.164
233 HG1 THR 34 HG1 THR 34 7.785 9.273 -0.932
234 HG21 THR 34 3HG2 THR 34 6.835 8.575 -4.230
235 HG22 THR 34 1HG2 THR 34 7.110 7.039 -3.412
236 HG23 THR 34 2HG2 THR 34 8.276 7.628 -4.597
237 H VAL 35 H VAL 35 11.667 7.354 -1.242
238 HA VAL 35 HA VAL 35 11.563 8.901 1.174
239 HB VAL 35 HB VAL 35 13.850 7.579 -0.282
240 HG11 VAL 35 1HG1 VAL 35 15.270 8.108 1.590
241 HG12 VAL 35 2HG1 VAL 35 14.605 9.605 0.933
242 HG13 VAL 35 3HG1 VAL 35 13.941 8.920 2.417
243 HG21 VAL 35 3HG2 VAL 35 13.711 6.345 2.082
244 HG22 VAL 35 1HG2 VAL 35 12.024 6.837 1.927
245 HG23 VAL 35 2HG2 VAL 35 12.767 5.831 0.683
246 H LYS 36 H LYS 36 12.635 10.836 1.621
247 HA LYS 36 HA LYS 36 13.284 12.448 -0.757
248 HB2 LYS 36 1HB LYS 36 12.097 13.210 1.906
249 HB3 LYS 36 2HB LYS 36 12.784 14.405 0.814
250 HG2 LYS 36 1HG LYS 36 10.609 14.520 0.177
251 HG3 LYS 36 2HG LYS 36 11.158 13.244 -0.913
252 HD2 LYS 36 1HD LYS 36 9.125 12.481 0.030
253 HD3 LYS 36 2HD LYS 36 10.411 11.592 0.850
254 HE2 LYS 36 1HE LYS 36 10.178 12.838 2.812
255 HE3 LYS 36 2HE LYS 36 9.308 14.135 1.994
256 HZ1 LYS 36 3HZ LYS 36 8.278 11.817 3.255
257 HZ2 LYS 36 1HZ LYS 36 7.794 11.856 1.634
258 HZ3 LYS 36 2HZ LYS 36 7.446 13.161 2.652
259 H SER 37 H SER 37 15.460 11.526 -0.619
260 HA SER 37 HA SER 37 17.224 11.626 1.453
261 HB2 SER 37 1HB SER 37 18.996 11.649 -0.147
262 HB3 SER 37 2HB SER 37 17.653 10.797 -0.908
263 HG SER 37 HG SER 37 18.663 13.365 -1.431
264 H GLY 38 H GLY 38 18.747 13.122 2.244
265 HA2 GLY 38 1HA GLY 38 18.212 15.940 1.552
266 HA3 GLY 38 2HA GLY 38 18.282 15.421 3.230
267 HA PRO 39 HA PRO 39 22.586 16.232 3.317
268 HB2 PRO 39 1HB PRO 39 23.453 14.353 5.074
269 HB3 PRO 39 2HB PRO 39 22.512 15.767 5.566
270 HG2 PRO 39 1HG PRO 39 21.598 12.957 5.088
271 HG3 PRO 39 2HG PRO 39 21.157 14.070 6.396
272 HD2 PRO 39 1HD PRO 39 19.559 13.632 4.254
273 HD3 PRO 39 2HD PRO 39 19.627 15.197 5.090
274 H SER 40 H SER 40 21.347 13.409 1.986
275 HA SER 40 HA SER 40 23.982 12.339 1.280
276 HB2 SER 40 1HB SER 40 22.303 10.746 2.138
277 HB3 SER 40 2HB SER 40 21.228 11.170 0.806
278 HG SER 40 HG SER 40 23.300 10.549 -0.461
279 H SER 41 H SER 41 24.791 12.405 -0.742
280 HA SER 41 HA SER 41 24.297 14.286 -2.563
281 HB2 SER 41 1HB SER 41 26.055 12.420 -2.649
282 HB3 SER 41 2HB SER 41 24.846 11.480 -3.523
283 HG SER 41 HG SER 41 26.492 13.078 -4.616
284 H GLY 42 H GLY 42 22.498 14.978 -3.502
285 HA2 GLY 42 1HA GLY 42 20.836 13.125 -4.989
286 HA3 GLY 42 2HA GLY 42 20.042 13.891 -3.621
Start of MODEL 12
1 H1 GLY 1 H GLY 1 1.021 -21.987 1.643
2 HA2 GLY 1 1HA GLY 1 2.462 -21.218 4.063
3 HA3 GLY 1 2HA GLY 1 2.890 -20.366 2.586
4 H SER 2 H SER 2 -0.074 -21.343 4.317
5 HA SER 2 HA SER 2 -1.302 -18.805 3.529
6 HB2 SER 2 1HB SER 2 -2.463 -21.341 4.697
7 HB3 SER 2 2HB SER 2 -3.404 -19.873 4.434
8 HG SER 2 HG SER 2 -3.289 -20.154 2.308
9 H SER 3 H SER 3 -0.458 -17.308 4.921
10 HA SER 3 HA SER 3 -0.645 -17.823 7.799
11 HB2 SER 3 1HB SER 3 1.497 -16.992 7.240
12 HB3 SER 3 2HB SER 3 0.831 -15.763 6.165
13 HG SER 3 HG SER 3 1.402 -15.555 8.752
14 H GLY 4 H GLY 4 -2.899 -17.604 8.030
15 HA2 GLY 4 1HA GLY 4 -4.751 -16.392 8.666
16 HA3 GLY 4 2HA GLY 4 -3.772 -14.938 8.538
17 H SER 5 H SER 5 -6.193 -16.856 7.092
18 HA SER 5 HA SER 5 -5.997 -15.840 4.437
19 HB2 SER 5 1HB SER 5 -8.332 -16.760 4.212
20 HB3 SER 5 2HB SER 5 -7.137 -17.929 4.774
21 HG SER 5 HG SER 5 -8.508 -16.477 6.714
22 H SER 6 H SER 6 -5.947 -13.626 4.415
23 HA SER 6 HA SER 6 -8.094 -12.149 5.733
24 HB2 SER 6 1HB SER 6 -5.596 -11.477 5.774
25 HB3 SER 6 2HB SER 6 -5.870 -10.909 4.127
26 HG SER 6 HG SER 6 -7.560 -10.119 6.242
27 H GLY 7 H GLY 7 -6.561 -12.136 2.505
28 HA2 GLY 7 1HA GLY 7 -8.486 -12.626 0.784
29 HA3 GLY 7 2HA GLY 7 -9.045 -11.070 1.380
30 H GLU 8 H GLU 8 -8.621 -11.190 -1.234
31 HA GLU 8 HA GLU 8 -6.024 -9.851 -1.617
32 HB2 GLU 8 1HB GLU 8 -6.118 -10.636 -3.974
33 HB3 GLU 8 2HB GLU 8 -6.003 -11.945 -2.808
34 HG2 GLU 8 1HG GLU 8 -8.689 -11.097 -3.770
35 HG3 GLU 8 2HG GLU 8 -7.666 -12.080 -4.816
36 H LYS 9 H LYS 9 -5.968 -8.005 -2.895
37 HA LYS 9 HA LYS 9 -8.592 -6.878 -3.623
38 HB2 LYS 9 1HB LYS 9 -6.338 -5.704 -2.075
39 HB3 LYS 9 2HB LYS 9 -7.208 -4.639 -3.171
40 HG2 LYS 9 1HG LYS 9 -8.290 -4.363 -1.133
41 HG3 LYS 9 2HG LYS 9 -9.328 -5.486 -2.015
42 HD2 LYS 9 1HD LYS 9 -9.164 -6.413 0.128
43 HD3 LYS 9 2HD LYS 9 -8.007 -7.337 -0.833
44 HE2 LYS 9 1HE LYS 9 -6.800 -6.859 1.084
45 HE3 LYS 9 2HE LYS 9 -6.295 -5.575 -0.013
46 HZ1 LYS 9 3HZ LYS 9 -6.836 -4.243 1.682
47 HZ2 LYS 9 1HZ LYS 9 -7.790 -5.411 2.449
48 HZ3 LYS 9 2HZ LYS 9 -8.437 -4.484 1.191
49 HA PRO 10 HA PRO 10 -7.045 -6.070 -7.649
50 HB2 PRO 10 1HB PRO 10 -8.182 -3.675 -8.233
51 HB3 PRO 10 2HB PRO 10 -9.103 -5.182 -8.155
52 HG2 PRO 10 1HG PRO 10 -8.823 -3.024 -6.099
53 HG3 PRO 10 2HG PRO 10 -10.275 -3.909 -6.601
54 HD2 PRO 10 1HD PRO 10 -8.907 -4.516 -4.345
55 HD3 PRO 10 2HD PRO 10 -9.759 -5.743 -5.304
56 H TYR 11 H TYR 11 -6.369 -3.859 -5.090
57 HA TYR 11 HA TYR 11 -4.361 -2.457 -6.707
58 HB2 TYR 11 1HB TYR 11 -5.411 -1.816 -3.943
59 HB3 TYR 11 2HB TYR 11 -4.262 -0.843 -4.855
60 HD1 TYR 11 HD1 TYR 11 -5.028 0.199 -7.034
61 HD2 TYR 11 HD2 TYR 11 -7.728 -1.552 -4.250
62 HE1 TYR 11 HE1 TYR 11 -6.888 1.428 -8.073
63 HE2 TYR 11 HE2 TYR 11 -9.595 -0.328 -5.282
64 HH TYR 11 HH TYR 11 -9.085 2.165 -7.628
65 H SER 12 H SER 12 -2.378 -3.258 -6.663
66 HA SER 12 HA SER 12 -1.341 -4.319 -4.122
67 HB2 SER 12 1HB SER 12 -0.190 -6.107 -5.307
68 HB3 SER 12 2HB SER 12 -1.916 -6.187 -5.657
69 HG SER 12 HG SER 12 -0.228 -4.732 -7.362
70 H CYS 13 H CYS 13 0.426 -3.291 -3.486
71 HA CYS 13 HA CYS 13 1.695 -1.318 -5.071
72 HB2 CYS 13 1HB CYS 13 1.529 -1.552 -2.477
73 HB3 CYS 13 2HB CYS 13 2.988 -2.523 -2.646
74 H ALA 14 H ALA 14 3.268 -1.496 -6.520
75 HA ALA 14 HA ALA 14 4.512 -4.071 -6.978
76 HB1 ALA 14 3HB ALA 14 5.504 -1.891 -8.616
77 HB2 ALA 14 1HB ALA 14 4.708 -3.392 -9.090
78 HB3 ALA 14 2HB ALA 14 3.744 -1.990 -8.623
79 H GLU 15 H GLU 15 5.168 -2.382 -4.580
80 HA GLU 15 HA GLU 15 8.080 -2.265 -5.007
81 HB2 GLU 15 1HB GLU 15 6.348 -0.432 -3.347
82 HB3 GLU 15 2HB GLU 15 8.102 -0.475 -3.236
83 HG2 GLU 15 1HG GLU 15 8.100 -0.003 -5.741
84 HG3 GLU 15 2HG GLU 15 6.397 0.403 -5.538
85 H CYS 16 H CYS 16 5.506 -2.691 -2.600
86 HA CYS 16 HA CYS 16 7.350 -4.392 -1.052
87 HB2 CYS 16 1HB CYS 16 6.000 -3.827 0.936
88 HB3 CYS 16 2HB CYS 16 6.717 -2.398 0.199
89 H LYS 17 H LYS 17 4.760 -4.472 -3.084
90 HA LYS 17 HA LYS 17 3.244 -6.066 -3.658
91 HB2 LYS 17 1HB LYS 17 5.183 -7.615 -1.989
92 HB3 LYS 17 2HB LYS 17 3.682 -8.385 -2.486
93 HG2 LYS 17 1HG LYS 17 5.542 -7.075 -4.445
94 HG3 LYS 17 2HG LYS 17 5.703 -8.765 -3.958
95 HD2 LYS 17 1HD LYS 17 3.746 -9.389 -4.999
96 HD3 LYS 17 2HD LYS 17 3.050 -7.770 -4.896
97 HE2 LYS 17 1HE LYS 17 4.744 -7.025 -6.575
98 HE3 LYS 17 2HE LYS 17 5.230 -8.710 -6.755
99 HZ1 LYS 17 3HZ LYS 17 3.349 -7.524 -8.238
100 HZ2 LYS 17 1HZ LYS 17 2.391 -8.216 -7.028
101 HZ3 LYS 17 2HZ LYS 17 3.415 -9.190 -7.957
102 H GLU 18 H GLU 18 2.366 -4.291 -1.794
103 HA GLU 18 HA GLU 18 0.946 -5.903 0.211
104 HB2 GLU 18 1HB GLU 18 2.326 -3.880 0.908
105 HB3 GLU 18 2HB GLU 18 1.106 -2.894 0.114
106 HG2 GLU 18 1HG GLU 18 0.625 -2.957 2.446
107 HG3 GLU 18 2HG GLU 18 -0.602 -3.898 1.602
108 H THR 19 H THR 19 -1.309 -5.605 0.526
109 HA THR 19 HA THR 19 -2.700 -4.796 -1.932
110 HB THR 19 HB THR 19 -4.627 -6.110 -0.980
111 HG1 THR 19 HG1 THR 19 -4.311 -6.461 1.111
112 HG21 THR 19 3HG2 THR 19 -3.852 -8.130 -1.829
113 HG22 THR 19 1HG2 THR 19 -2.226 -7.889 -1.194
114 HG23 THR 19 2HG2 THR 19 -2.774 -6.960 -2.589
115 H PHE 20 H PHE 20 -4.618 -3.556 -1.821
116 HA PHE 20 HA PHE 20 -5.232 -2.257 0.721
117 HB2 PHE 20 1HB PHE 20 -4.524 -0.746 -1.802
118 HB3 PHE 20 2HB PHE 20 -5.197 -0.016 -0.348
119 HD1 PHE 20 HD2 PHE 20 -2.235 -1.530 -1.863
120 HD2 PHE 20 HD1 PHE 20 -3.855 0.277 1.634
121 HE1 PHE 20 HE2 PHE 20 0.036 -1.247 -0.961
122 HE2 PHE 20 HE1 PHE 20 -1.586 0.564 2.541
123 HZ PHE 20 HZ PHE 20 0.363 -0.199 1.244
124 H SER 21 H SER 21 -7.313 -1.336 0.825
125 HA SER 21 HA SER 21 -9.304 -2.705 -0.599
126 HB2 SER 21 1HB SER 21 -9.404 -1.442 1.690
127 HB3 SER 21 2HB SER 21 -9.851 -0.054 0.698
128 HG SER 21 HG SER 21 -11.702 -1.007 0.160
129 H ASP 22 H ASP 22 -8.329 0.717 -0.818
130 HA ASP 22 HA ASP 22 -9.279 0.712 -3.603
131 HB2 ASP 22 1HB ASP 22 -9.538 3.100 -1.779
132 HB3 ASP 22 2HB ASP 22 -10.266 2.861 -3.365
133 H ASN 23 H ASN 23 -8.469 2.943 -4.629
134 HA ASN 23 HA ASN 23 -5.652 2.723 -4.763
135 HB2 ASN 23 1HB ASN 23 -5.803 4.757 -6.206
136 HB3 ASN 23 2HB ASN 23 -6.889 3.461 -6.700
137 HD21 ASN 23 1HD2 ASN 23 -6.906 6.461 -6.992
138 HD22 ASN 23 2HD2 ASN 23 -8.480 6.930 -6.457
139 H ASN 24 H ASN 24 -7.695 5.411 -3.603
140 HA ASN 24 HA ASN 24 -5.953 7.215 -2.706
141 HB2 ASN 24 1HB ASN 24 -7.513 7.914 -1.088
142 HB3 ASN 24 2HB ASN 24 -8.490 7.104 -2.309
143 HD21 ASN 24 1HD2 ASN 24 -9.784 5.509 -1.692
144 HD22 ASN 24 2HD2 ASN 24 -9.777 4.760 -0.135
145 H ARG 25 H ARG 25 -6.794 4.304 -0.832
146 HA ARG 25 HA ARG 25 -5.050 4.747 1.305
147 HB2 ARG 25 1HB ARG 25 -6.450 2.381 0.171
148 HB3 ARG 25 2HB ARG 25 -5.127 2.074 1.288
149 HG2 ARG 25 1HG ARG 25 -7.189 4.054 2.085
150 HG3 ARG 25 2HG ARG 25 -7.617 2.342 2.112
151 HD2 ARG 25 1HD ARG 25 -5.390 2.064 3.408
152 HD3 ARG 25 2HD ARG 25 -5.531 3.799 3.689
153 HE ARG 25 HE ARG 25 -7.937 2.917 4.466
154 HH11 ARG 25 1HH1 ARG 25 -4.718 1.809 5.192
155 HH12 ARG 25 2HH1 ARG 25 -5.135 1.220 6.767
156 HH21 ARG 25 1HH2 ARG 25 -8.499 2.146 6.538
157 HH22 ARG 25 2HH2 ARG 25 -7.286 1.412 7.532
158 H LEU 26 H LEU 26 -4.560 2.912 -1.698
159 HA LEU 26 HA LEU 26 -1.953 2.034 -1.143
160 HB2 LEU 26 1HB LEU 26 -3.108 0.975 -2.897
161 HB3 LEU 26 2HB LEU 26 -3.455 2.505 -3.699
162 HG LEU 26 HG LEU 26 -0.951 2.679 -4.117
163 HD11 LEU 26 1HD1 LEU 26 0.011 0.250 -4.259
164 HD12 LEU 26 2HD1 LEU 26 -1.148 -0.064 -2.968
165 HD13 LEU 26 3HD1 LEU 26 0.100 1.164 -2.753
166 HD21 LEU 26 3HD2 LEU 26 -2.731 0.624 -5.388
167 HD22 LEU 26 1HD2 LEU 26 -1.100 0.933 -5.985
168 HD23 LEU 26 2HD2 LEU 26 -2.295 2.230 -5.975
169 H VAL 27 H VAL 27 -3.048 4.812 -3.090
170 HA VAL 27 HA VAL 27 -0.607 5.867 -3.800
171 HB VAL 27 HB VAL 27 -3.085 7.417 -3.031
172 HG11 VAL 27 1HG1 VAL 27 -1.923 9.266 -3.421
173 HG12 VAL 27 2HG1 VAL 27 -0.477 8.309 -3.751
174 HG13 VAL 27 3HG1 VAL 27 -1.592 8.703 -5.059
175 HG21 VAL 27 3HG2 VAL 27 -2.201 6.065 -5.552
176 HG22 VAL 27 1HG2 VAL 27 -3.770 6.017 -4.749
177 HG23 VAL 27 2HG2 VAL 27 -3.267 7.469 -5.615
178 H GLN 28 H GLN 28 -2.506 6.735 -0.907
179 HA GLN 28 HA GLN 28 -0.711 8.501 0.239
180 HB2 GLN 28 1HB GLN 28 -2.651 6.589 1.538
181 HB3 GLN 28 2HB GLN 28 -1.767 7.820 2.430
182 HG2 GLN 28 1HG GLN 28 -2.792 9.526 0.912
183 HG3 GLN 28 2HG GLN 28 -3.807 8.239 0.264
184 HE21 GLN 28 1HE2 GLN 28 -4.163 10.757 2.018
185 HE22 GLN 28 2HE2 GLN 28 -5.206 10.205 3.280
186 H HIS 29 H HIS 29 -0.730 4.993 0.288
187 HA HIS 29 HA HIS 29 1.267 4.683 2.284
188 HB2 HIS 29 1HB HIS 29 0.034 2.747 1.981
189 HB3 HIS 29 2HB HIS 29 0.025 2.902 0.227
190 HD1 HIS 29 HD1 HIS 29 1.717 1.190 2.958
191 HD2 HIS 29 HD2 HIS 29 2.595 2.193 -0.977
192 HE1 HIS 29 HE1 HIS 29 3.663 -0.265 2.312
193 H GLN 30 H GLN 30 1.393 4.488 -1.271
194 HA GLN 30 HA GLN 30 3.961 3.888 -1.776
195 HB2 GLN 30 1HB GLN 30 2.205 5.963 -3.059
196 HB3 GLN 30 2HB GLN 30 3.830 5.656 -3.656
197 HG2 GLN 30 1HG GLN 30 3.065 3.186 -3.745
198 HG3 GLN 30 2HG GLN 30 1.441 3.868 -3.680
199 HE21 GLN 30 1HE2 GLN 30 1.174 2.903 -5.782
200 HE22 GLN 30 2HE2 GLN 30 1.752 3.731 -7.183
201 H LYS 31 H LYS 31 2.810 7.047 -0.678
202 HA LYS 31 HA LYS 31 4.986 8.639 -0.897
203 HB2 LYS 31 1HB LYS 31 3.000 8.357 1.340
204 HB3 LYS 31 2HB LYS 31 4.293 9.546 1.434
205 HG2 LYS 31 1HG LYS 31 2.309 10.603 0.604
206 HG3 LYS 31 2HG LYS 31 3.501 10.520 -0.695
207 HD2 LYS 31 1HD LYS 31 2.369 8.612 -1.661
208 HD3 LYS 31 2HD LYS 31 1.229 8.570 -0.313
209 HE2 LYS 31 1HE LYS 31 0.080 9.642 -2.062
210 HE3 LYS 31 2HE LYS 31 0.590 10.937 -0.981
211 HZ1 LYS 31 3HZ LYS 31 1.528 11.881 -2.736
212 HZ2 LYS 31 1HZ LYS 31 1.236 10.531 -3.713
213 HZ3 LYS 31 2HZ LYS 31 2.647 10.614 -2.784
214 H MET 32 H MET 32 4.474 6.219 1.652
215 HA MET 32 HA MET 32 6.683 6.672 3.224
216 HB2 MET 32 1HB MET 32 5.238 4.142 2.487
217 HB3 MET 32 2HB MET 32 6.627 4.106 3.565
218 HG2 MET 32 1HG MET 32 5.441 5.752 5.018
219 HG3 MET 32 2HG MET 32 4.025 5.549 3.990
220 HE1 MET 32 3HE MET 32 3.054 5.288 6.333
221 HE2 MET 32 1HE MET 32 2.095 4.076 5.483
222 HE3 MET 32 2HE MET 32 2.793 3.701 7.058
223 H HIS 33 H HIS 33 6.500 4.920 0.167
224 HA HIS 33 HA HIS 33 9.160 3.942 0.205
225 HB2 HIS 33 1HB HIS 33 7.235 4.418 -2.076
226 HB3 HIS 33 2HB HIS 33 8.797 3.627 -2.264
227 HD1 HIS 33 HD1 HIS 33 8.684 1.833 0.275
228 HD2 HIS 33 HD2 HIS 33 5.596 2.265 -2.470
229 HE1 HIS 33 HE1 HIS 33 7.281 -0.241 0.509
230 H THR 34 H THR 34 7.681 6.903 -0.981
231 HA THR 34 HA THR 34 10.317 7.857 -1.867
232 HB THR 34 HB THR 34 8.599 8.021 -3.580
233 HG1 THR 34 HG1 THR 34 9.633 9.798 -4.054
234 HG21 THR 34 3HG2 THR 34 6.936 8.744 -1.405
235 HG22 THR 34 1HG2 THR 34 6.481 8.507 -3.091
236 HG23 THR 34 2HG2 THR 34 6.962 10.107 -2.524
237 H VAL 35 H VAL 35 11.378 8.932 -0.336
238 HA VAL 35 HA VAL 35 10.047 10.236 1.844
239 HB VAL 35 HB VAL 35 12.331 10.977 2.495
240 HG11 VAL 35 1HG1 VAL 35 12.930 8.194 2.052
241 HG12 VAL 35 2HG1 VAL 35 12.521 9.030 3.552
242 HG13 VAL 35 3HG1 VAL 35 11.241 8.407 2.510
243 HG21 VAL 35 3HG2 VAL 35 14.257 10.110 1.244
244 HG22 VAL 35 1HG2 VAL 35 13.164 9.480 0.012
245 HG23 VAL 35 2HG2 VAL 35 13.292 11.220 0.271
246 H LYS 36 H LYS 36 9.363 12.269 1.952
247 HA LYS 36 HA LYS 36 10.676 14.476 0.789
248 HB2 LYS 36 1HB LYS 36 9.225 15.080 -0.996
249 HB3 LYS 36 2HB LYS 36 9.674 13.401 -1.263
250 HG2 LYS 36 1HG LYS 36 7.464 12.887 0.007
251 HG3 LYS 36 2HG LYS 36 7.052 14.549 -0.423
252 HD2 LYS 36 1HD LYS 36 7.819 13.796 -2.813
253 HD3 LYS 36 2HD LYS 36 7.488 12.179 -2.187
254 HE2 LYS 36 1HE LYS 36 5.496 14.424 -2.003
255 HE3 LYS 36 2HE LYS 36 5.590 13.358 -3.404
256 HZ1 LYS 36 3HZ LYS 36 4.257 12.904 -1.007
257 HZ2 LYS 36 1HZ LYS 36 5.546 11.808 -1.055
258 HZ3 LYS 36 2HZ LYS 36 4.420 11.846 -2.317
259 H SER 37 H SER 37 9.088 16.461 0.778
260 HA SER 37 HA SER 37 8.035 17.903 2.213
261 HB2 SER 37 1HB SER 37 6.194 16.536 1.006
262 HB3 SER 37 2HB SER 37 5.973 15.738 2.563
263 HG SER 37 HG SER 37 5.958 18.168 3.248
264 H GLY 38 H GLY 38 10.024 16.510 3.543
265 HA2 GLY 38 1HA GLY 38 10.560 16.696 5.859
266 HA3 GLY 38 2HA GLY 38 8.870 16.407 6.242
267 HA PRO 39 HA PRO 39 11.583 12.465 6.368
268 HB2 PRO 39 1HB PRO 39 12.076 12.346 9.035
269 HB3 PRO 39 2HB PRO 39 13.161 13.147 7.892
270 HG2 PRO 39 1HG PRO 39 11.093 14.342 9.696
271 HG3 PRO 39 2HG PRO 39 12.738 14.907 9.351
272 HD2 PRO 39 1HD PRO 39 10.550 15.992 8.182
273 HD3 PRO 39 2HD PRO 39 12.119 15.886 7.359
274 H SER 40 H SER 40 9.164 13.773 8.588
275 HA SER 40 HA SER 40 7.347 11.663 8.149
276 HB2 SER 40 1HB SER 40 9.104 10.523 9.605
277 HB3 SER 40 2HB SER 40 8.568 11.582 10.910
278 HG SER 40 HG SER 40 7.291 9.417 9.732
279 H SER 41 H SER 41 5.583 11.712 9.984
280 HA SER 41 HA SER 41 4.201 14.008 9.927
281 HB2 SER 41 1HB SER 41 4.372 12.305 12.423
282 HB3 SER 41 2HB SER 41 3.020 13.322 11.926
283 HG SER 41 HG SER 41 2.340 11.746 10.728
284 H GLY 42 H GLY 42 6.381 13.207 12.642
285 HA2 GLY 42 1HA GLY 42 7.327 15.921 12.785
286 HA3 GLY 42 2HA GLY 42 6.242 15.503 14.103
Start of MODEL 13
1 H1 GLY 1 H GLY 1 2.535 -23.301 -6.469
2 HA2 GLY 1 1HA GLY 1 0.918 -24.753 -4.970
3 HA3 GLY 1 2HA GLY 1 1.137 -23.373 -3.903
4 H SER 2 H SER 2 -1.169 -24.542 -5.566
5 HA SER 2 HA SER 2 -1.853 -22.625 -7.527
6 HB2 SER 2 1HB SER 2 -2.900 -24.810 -7.541
7 HB3 SER 2 2HB SER 2 -3.587 -24.533 -5.941
8 HG SER 2 HG SER 2 -4.943 -24.148 -7.925
9 H SER 3 H SER 3 -3.262 -23.115 -4.284
10 HA SER 3 HA SER 3 -4.047 -20.281 -4.291
11 HB2 SER 3 1HB SER 3 -5.756 -20.854 -2.688
12 HB3 SER 3 2HB SER 3 -5.856 -22.000 -4.025
13 HG SER 3 HG SER 3 -4.908 -22.395 -1.408
14 H GLY 4 H GLY 4 -3.351 -18.904 -2.735
15 HA2 GLY 4 1HA GLY 4 -2.450 -19.488 -0.192
16 HA3 GLY 4 2HA GLY 4 -1.040 -19.630 -1.231
17 H SER 5 H SER 5 -3.723 -17.398 -0.528
18 HA SER 5 HA SER 5 -1.809 -15.200 -0.430
19 HB2 SER 5 1HB SER 5 -4.276 -15.090 -2.182
20 HB3 SER 5 2HB SER 5 -3.106 -13.793 -1.941
21 HG SER 5 HG SER 5 -2.537 -16.332 -3.079
22 H SER 6 H SER 6 -2.907 -13.150 0.329
23 HA SER 6 HA SER 6 -4.870 -13.861 2.399
24 HB2 SER 6 1HB SER 6 -4.031 -12.061 3.708
25 HB3 SER 6 2HB SER 6 -2.612 -12.875 3.050
26 HG SER 6 HG SER 6 -3.738 -10.399 2.334
27 H GLY 7 H GLY 7 -4.129 -11.454 -0.087
28 HA2 GLY 7 1HA GLY 7 -6.983 -10.872 -0.303
29 HA3 GLY 7 2HA GLY 7 -5.926 -9.523 0.085
30 H GLU 8 H GLU 8 -7.627 -10.426 -2.332
31 HA GLU 8 HA GLU 8 -5.513 -10.079 -4.356
32 HB2 GLU 8 1HB GLU 8 -8.234 -11.355 -4.696
33 HB3 GLU 8 2HB GLU 8 -7.012 -11.185 -5.949
34 HG2 GLU 8 1HG GLU 8 -6.502 -12.698 -3.409
35 HG3 GLU 8 2HG GLU 8 -7.219 -13.450 -4.833
36 H LYS 9 H LYS 9 -6.335 -7.815 -3.146
37 HA LYS 9 HA LYS 9 -8.571 -6.566 -4.377
38 HB2 LYS 9 1HB LYS 9 -6.220 -5.545 -2.804
39 HB3 LYS 9 2HB LYS 9 -7.386 -4.440 -3.520
40 HG2 LYS 9 1HG LYS 9 -8.308 -4.658 -1.461
41 HG3 LYS 9 2HG LYS 9 -9.101 -6.015 -2.264
42 HD2 LYS 9 1HD LYS 9 -7.020 -7.354 -1.434
43 HD3 LYS 9 2HD LYS 9 -6.861 -6.024 -0.284
44 HE2 LYS 9 1HE LYS 9 -8.153 -7.612 0.845
45 HE3 LYS 9 2HE LYS 9 -9.328 -6.440 0.252
46 HZ1 LYS 9 3HZ LYS 9 -10.049 -8.727 -0.116
47 HZ2 LYS 9 1HZ LYS 9 -8.677 -9.023 -1.062
48 HZ3 LYS 9 2HZ LYS 9 -9.839 -7.908 -1.582
49 HA PRO 10 HA PRO 10 -6.972 -5.200 -8.229
50 HB2 PRO 10 1HB PRO 10 -8.176 -2.782 -8.495
51 HB3 PRO 10 2HB PRO 10 -9.048 -4.312 -8.651
52 HG2 PRO 10 1HG PRO 10 -8.876 -2.459 -6.305
53 HG3 PRO 10 2HG PRO 10 -10.289 -3.308 -6.960
54 HD2 PRO 10 1HD PRO 10 -8.942 -4.186 -4.781
55 HD3 PRO 10 2HD PRO 10 -9.736 -5.290 -5.922
56 H TYR 11 H TYR 11 -6.277 -3.527 -5.347
57 HA TYR 11 HA TYR 11 -4.286 -1.844 -6.718
58 HB2 TYR 11 1HB TYR 11 -5.345 -1.452 -3.917
59 HB3 TYR 11 2HB TYR 11 -4.377 -0.327 -4.864
60 HD1 TYR 11 HD1 TYR 11 -5.408 0.748 -6.898
61 HD2 TYR 11 HD2 TYR 11 -7.700 -1.463 -4.075
62 HE1 TYR 11 HE1 TYR 11 -7.460 1.811 -7.740
63 HE2 TYR 11 HE2 TYR 11 -9.758 -0.407 -4.911
64 HH TYR 11 HH TYR 11 -9.706 1.775 -7.692
65 H SER 12 H SER 12 -2.354 -2.780 -6.695
66 HA SER 12 HA SER 12 -1.438 -4.022 -4.185
67 HB2 SER 12 1HB SER 12 -0.157 -5.648 -5.517
68 HB3 SER 12 2HB SER 12 -1.882 -5.761 -5.863
69 HG SER 12 HG SER 12 -1.345 -4.263 -7.674
70 H CYS 13 H CYS 13 0.841 -3.906 -3.781
71 HA CYS 13 HA CYS 13 2.088 -1.579 -5.080
72 HB2 CYS 13 1HB CYS 13 1.573 -1.720 -2.506
73 HB3 CYS 13 2HB CYS 13 3.042 -2.689 -2.468
74 H ALA 14 H ALA 14 3.547 -2.122 -6.554
75 HA ALA 14 HA ALA 14 4.838 -4.682 -6.577
76 HB1 ALA 14 3HB ALA 14 4.735 -4.116 -8.736
77 HB2 ALA 14 1HB ALA 14 4.598 -2.396 -8.373
78 HB3 ALA 14 2HB ALA 14 6.185 -3.165 -8.419
79 H GLU 15 H GLU 15 5.348 -2.249 -4.572
80 HA GLU 15 HA GLU 15 8.271 -2.245 -4.733
81 HB2 GLU 15 1HB GLU 15 6.234 -0.484 -3.470
82 HB3 GLU 15 2HB GLU 15 7.798 -0.605 -2.677
83 HG2 GLU 15 1HG GLU 15 7.667 -0.043 -5.602
84 HG3 GLU 15 2HG GLU 15 7.360 1.250 -4.444
85 H CYS 16 H CYS 16 5.678 -2.847 -2.372
86 HA CYS 16 HA CYS 16 7.576 -4.512 -0.851
87 HB2 CYS 16 1HB CYS 16 6.172 -4.018 1.145
88 HB3 CYS 16 2HB CYS 16 6.938 -2.586 0.464
89 H LYS 17 H LYS 17 4.942 -4.600 -2.844
90 HA LYS 17 HA LYS 17 3.523 -6.267 -3.469
91 HB2 LYS 17 1HB LYS 17 4.914 -7.991 -1.416
92 HB3 LYS 17 2HB LYS 17 3.968 -8.536 -2.795
93 HG2 LYS 17 1HG LYS 17 6.477 -6.920 -3.110
94 HG3 LYS 17 2HG LYS 17 6.487 -8.682 -3.000
95 HD2 LYS 17 1HD LYS 17 4.673 -7.354 -4.963
96 HD3 LYS 17 2HD LYS 17 6.394 -7.488 -5.334
97 HE2 LYS 17 1HE LYS 17 4.947 -9.908 -4.376
98 HE3 LYS 17 2HE LYS 17 4.679 -9.369 -6.033
99 HZ1 LYS 17 3HZ LYS 17 6.541 -10.421 -6.561
100 HZ2 LYS 17 1HZ LYS 17 6.904 -10.745 -4.941
101 HZ3 LYS 17 2HZ LYS 17 7.408 -9.293 -5.646
102 H GLU 18 H GLU 18 2.499 -4.453 -1.766
103 HA GLU 18 HA GLU 18 0.990 -6.019 0.218
104 HB2 GLU 18 1HB GLU 18 2.391 -3.959 0.905
105 HB3 GLU 18 2HB GLU 18 1.117 -3.016 0.146
106 HG2 GLU 18 1HG GLU 18 0.913 -3.316 2.622
107 HG3 GLU 18 2HG GLU 18 -0.502 -3.783 1.682
108 H THR 19 H THR 19 -1.275 -5.636 0.435
109 HA THR 19 HA THR 19 -2.520 -4.748 -2.082
110 HB THR 19 HB THR 19 -4.488 -6.142 -1.317
111 HG1 THR 19 HG1 THR 19 -4.173 -6.568 0.789
112 HG21 THR 19 3HG2 THR 19 -3.638 -7.578 -2.792
113 HG22 THR 19 1HG2 THR 19 -2.625 -8.268 -1.525
114 HG23 THR 19 2HG2 THR 19 -2.021 -6.935 -2.509
115 H PHE 20 H PHE 20 -4.457 -3.537 -2.003
116 HA PHE 20 HA PHE 20 -5.166 -2.376 0.593
117 HB2 PHE 20 1HB PHE 20 -4.626 -0.750 -1.901
118 HB3 PHE 20 2HB PHE 20 -5.203 -0.116 -0.363
119 HD1 PHE 20 HD2 PHE 20 -2.333 -1.677 -2.069
120 HD2 PHE 20 HD1 PHE 20 -3.714 0.337 1.416
121 HE1 PHE 20 HE2 PHE 20 -0.007 -1.369 -1.330
122 HE2 PHE 20 HE1 PHE 20 -1.390 0.650 2.161
123 HZ PHE 20 HZ PHE 20 0.467 -0.205 0.788
124 H SER 21 H SER 21 -7.288 -1.567 0.735
125 HA SER 21 HA SER 21 -9.181 -2.957 -0.876
126 HB2 SER 21 1HB SER 21 -9.792 -2.595 1.390
127 HB3 SER 21 2HB SER 21 -9.450 -0.868 1.286
128 HG SER 21 HG SER 21 -11.716 -2.242 0.628
129 H ASP 22 H ASP 22 -8.379 0.490 -0.508
130 HA ASP 22 HA ASP 22 -9.622 0.960 -3.140
131 HB2 ASP 22 1HB ASP 22 -9.528 2.848 -0.777
132 HB3 ASP 22 2HB ASP 22 -10.182 3.237 -2.365
133 H ASN 23 H ASN 23 -8.728 2.861 -4.299
134 HA ASN 23 HA ASN 23 -5.944 2.649 -4.580
135 HB2 ASN 23 1HB ASN 23 -6.175 4.698 -6.020
136 HB3 ASN 23 2HB ASN 23 -7.259 3.377 -6.450
137 HD21 ASN 23 1HD2 ASN 23 -7.029 6.632 -5.761
138 HD22 ASN 23 2HD2 ASN 23 -8.708 6.975 -5.540
139 H ASN 24 H ASN 24 -7.893 5.305 -3.218
140 HA ASN 24 HA ASN 24 -6.064 7.131 -2.506
141 HB2 ASN 24 1HB ASN 24 -8.044 6.203 -0.436
142 HB3 ASN 24 2HB ASN 24 -7.486 7.841 -0.764
143 HD21 ASN 24 1HD2 ASN 24 -9.588 5.269 -1.773
144 HD22 ASN 24 2HD2 ASN 24 -10.557 6.211 -2.850
145 H ARG 25 H ARG 25 -6.861 4.367 -0.392
146 HA ARG 25 HA ARG 25 -4.958 4.759 1.557
147 HB2 ARG 25 1HB ARG 25 -6.374 2.372 0.487
148 HB3 ARG 25 2HB ARG 25 -4.985 2.086 1.527
149 HG2 ARG 25 1HG ARG 25 -7.038 4.021 2.449
150 HG3 ARG 25 2HG ARG 25 -7.431 2.301 2.489
151 HD2 ARG 25 1HD ARG 25 -5.555 1.836 3.896
152 HD3 ARG 25 2HD ARG 25 -4.938 3.476 3.705
153 HE ARG 25 HE ARG 25 -7.346 3.908 4.802
154 HH11 ARG 25 1HH1 ARG 25 -4.756 1.743 5.652
155 HH12 ARG 25 2HH1 ARG 25 -5.116 1.768 7.346
156 HH21 ARG 25 1HH2 ARG 25 -7.830 3.949 7.031
157 HH22 ARG 25 2HH2 ARG 25 -6.866 3.022 8.129
158 H LEU 26 H LEU 26 -4.594 3.125 -1.558
159 HA LEU 26 HA LEU 26 -1.933 2.250 -1.127
160 HB2 LEU 26 1HB LEU 26 -3.209 1.163 -2.801
161 HB3 LEU 26 2HB LEU 26 -3.571 2.687 -3.610
162 HG LEU 26 HG LEU 26 -0.956 2.742 -3.946
163 HD11 LEU 26 1HD1 LEU 26 -1.136 0.362 -2.629
164 HD12 LEU 26 2HD1 LEU 26 0.186 0.835 -3.696
165 HD13 LEU 26 3HD1 LEU 26 -1.136 -0.154 -4.316
166 HD21 LEU 26 3HD2 LEU 26 -2.111 0.788 -5.784
167 HD22 LEU 26 1HD2 LEU 26 -1.466 2.400 -6.096
168 HD23 LEU 26 2HD2 LEU 26 -3.126 2.209 -5.528
169 H VAL 27 H VAL 27 -3.234 4.970 -3.030
170 HA VAL 27 HA VAL 27 -0.905 6.111 -3.911
171 HB VAL 27 HB VAL 27 -3.342 7.587 -2.905
172 HG11 VAL 27 1HG1 VAL 27 -1.561 8.651 -5.037
173 HG12 VAL 27 2HG1 VAL 27 -2.567 9.510 -3.869
174 HG13 VAL 27 3HG1 VAL 27 -1.038 8.793 -3.359
175 HG21 VAL 27 3HG2 VAL 27 -4.346 6.546 -4.611
176 HG22 VAL 27 1HG2 VAL 27 -3.392 7.603 -5.653
177 HG23 VAL 27 2HG2 VAL 27 -2.815 5.979 -5.278
178 H GLN 28 H GLN 28 -2.475 6.636 -0.768
179 HA GLN 28 HA GLN 28 -0.604 8.509 0.203
180 HB2 GLN 28 1HB GLN 28 -2.376 6.603 1.742
181 HB3 GLN 28 2HB GLN 28 -1.543 7.994 2.423
182 HG2 GLN 28 1HG GLN 28 -2.913 9.513 1.319
183 HG3 GLN 28 2HG GLN 28 -3.463 8.312 0.152
184 HE21 GLN 28 1HE2 GLN 28 -4.951 10.107 1.961
185 HE22 GLN 28 2HE2 GLN 28 -5.985 9.076 2.884
186 H HIS 29 H HIS 29 -0.774 4.988 0.406
187 HA HIS 29 HA HIS 29 1.413 4.669 2.177
188 HB2 HIS 29 1HB HIS 29 0.013 2.804 2.048
189 HB3 HIS 29 2HB HIS 29 -0.042 2.845 0.288
190 HD1 HIS 29 HD1 HIS 29 2.022 1.621 3.149
191 HD2 HIS 29 HD2 HIS 29 2.084 1.553 -1.005
192 HE1 HIS 29 HE1 HIS 29 3.786 -0.061 2.530
193 H GLN 30 H GLN 30 1.142 4.831 -1.329
194 HA GLN 30 HA GLN 30 3.663 3.948 -2.068
195 HB2 GLN 30 1HB GLN 30 1.684 5.834 -3.257
196 HB3 GLN 30 2HB GLN 30 3.301 5.788 -3.947
197 HG2 GLN 30 1HG GLN 30 3.034 3.331 -4.239
198 HG3 GLN 30 2HG GLN 30 1.360 3.504 -3.715
199 HE21 GLN 30 1HE2 GLN 30 0.566 2.769 -5.680
200 HE22 GLN 30 2HE2 GLN 30 0.617 3.732 -7.113
201 H LYS 31 H LYS 31 2.678 7.000 -0.686
202 HA LYS 31 HA LYS 31 4.981 8.503 -1.285
203 HB2 LYS 31 1HB LYS 31 2.837 8.696 0.801
204 HB3 LYS 31 2HB LYS 31 4.242 9.750 0.894
205 HG2 LYS 31 1HG LYS 31 3.750 10.623 -1.326
206 HG3 LYS 31 2HG LYS 31 2.356 9.547 -1.446
207 HD2 LYS 31 1HD LYS 31 1.276 10.664 0.397
208 HD3 LYS 31 2HD LYS 31 2.707 11.657 0.682
209 HE2 LYS 31 1HE LYS 31 2.363 12.919 -1.242
210 HE3 LYS 31 2HE LYS 31 1.326 11.696 -1.975
211 HZ1 LYS 31 3HZ LYS 31 -0.166 13.301 -1.308
212 HZ2 LYS 31 1HZ LYS 31 0.673 13.664 0.116
213 HZ3 LYS 31 2HZ LYS 31 -0.217 12.230 0.000
214 H MET 32 H MET 32 4.345 6.057 1.089
215 HA MET 32 HA MET 32 6.557 6.713 2.793
216 HB2 MET 32 1HB MET 32 4.572 4.495 2.619
217 HB3 MET 32 2HB MET 32 6.055 4.211 3.521
218 HG2 MET 32 1HG MET 32 5.539 6.291 4.826
219 HG3 MET 32 2HG MET 32 3.963 6.303 4.037
220 HE1 MET 32 3HE MET 32 2.102 5.711 5.871
221 HE2 MET 32 1HE MET 32 2.125 4.764 4.383
222 HE3 MET 32 2HE MET 32 1.860 3.964 5.932
223 H HIS 33 H HIS 33 6.445 5.530 -0.266
224 HA HIS 33 HA HIS 33 8.780 3.780 0.085
225 HB2 HIS 33 1HB HIS 33 6.645 3.982 -1.998
226 HB3 HIS 33 2HB HIS 33 8.225 3.358 -2.463
227 HD1 HIS 33 HD1 HIS 33 9.053 1.351 -0.651
228 HD2 HIS 33 HD2 HIS 33 4.990 2.007 -1.218
229 HE1 HIS 33 HE1 HIS 33 7.918 -0.755 0.122
230 H THR 34 H THR 34 8.646 6.806 0.051
231 HA THR 34 HA THR 34 10.607 7.218 -2.112
232 HB THR 34 HB THR 34 9.892 9.565 -2.241
233 HG1 THR 34 HG1 THR 34 8.313 10.345 -0.968
234 HG21 THR 34 3HG2 THR 34 7.883 7.389 -2.697
235 HG22 THR 34 1HG2 THR 34 8.836 8.291 -3.875
236 HG23 THR 34 2HG2 THR 34 7.478 9.067 -3.059
237 H VAL 35 H VAL 35 12.381 8.561 -1.667
238 HA VAL 35 HA VAL 35 12.760 9.325 1.147
239 HB VAL 35 HB VAL 35 13.926 7.184 0.747
240 HG11 VAL 35 1HG1 VAL 35 15.749 8.667 -1.124
241 HG12 VAL 35 2HG1 VAL 35 15.663 6.932 -0.815
242 HG13 VAL 35 3HG1 VAL 35 14.367 7.737 -1.701
243 HG21 VAL 35 3HG2 VAL 35 16.259 8.074 1.388
244 HG22 VAL 35 1HG2 VAL 35 15.502 9.666 1.328
245 HG23 VAL 35 2HG2 VAL 35 14.900 8.444 2.448
246 H LYS 36 H LYS 36 13.357 11.374 1.349
247 HA LYS 36 HA LYS 36 14.102 12.903 -0.991
248 HB2 LYS 36 1HB LYS 36 13.459 13.585 1.862
249 HB3 LYS 36 2HB LYS 36 14.199 14.780 0.806
250 HG2 LYS 36 1HG LYS 36 12.333 14.980 -0.507
251 HG3 LYS 36 2HG LYS 36 11.761 13.353 -0.130
252 HD2 LYS 36 1HD LYS 36 11.262 14.127 2.179
253 HD3 LYS 36 2HD LYS 36 11.706 15.762 1.686
254 HE2 LYS 36 1HE LYS 36 9.368 15.691 1.506
255 HE3 LYS 36 2HE LYS 36 9.955 15.507 -0.147
256 HZ1 LYS 36 3HZ LYS 36 9.764 13.012 0.336
257 HZ2 LYS 36 1HZ LYS 36 8.341 13.879 0.045
258 HZ3 LYS 36 2HZ LYS 36 8.773 13.470 1.628
259 H SER 37 H SER 37 15.547 12.229 2.194
260 HA SER 37 HA SER 37 18.082 13.351 1.354
261 HB2 SER 37 1HB SER 37 17.391 11.915 3.928
262 HB3 SER 37 2HB SER 37 18.825 12.896 3.624
263 HG SER 37 HG SER 37 17.502 14.706 3.448
264 H GLY 38 H GLY 38 19.981 12.228 1.015
265 HA2 GLY 38 1HA GLY 38 21.219 10.486 0.159
266 HA3 GLY 38 2HA GLY 38 20.575 9.601 1.533
267 HA PRO 39 HA PRO 39 17.635 8.706 -2.217
268 HB2 PRO 39 1HB PRO 39 18.557 9.459 -4.657
269 HB3 PRO 39 2HB PRO 39 17.555 10.505 -3.644
270 HG2 PRO 39 1HG PRO 39 20.526 10.509 -4.015
271 HG3 PRO 39 2HG PRO 39 19.405 11.882 -3.943
272 HD2 PRO 39 1HD PRO 39 20.920 11.126 -1.830
273 HD3 PRO 39 2HD PRO 39 19.307 11.844 -1.641
274 H SER 40 H SER 40 17.717 6.630 -2.798
275 HA SER 40 HA SER 40 19.931 5.551 -4.292
276 HB2 SER 40 1HB SER 40 20.696 5.488 -1.884
277 HB3 SER 40 2HB SER 40 19.374 4.364 -1.568
278 HG SER 40 HG SER 40 21.284 3.235 -2.019
279 H SER 41 H SER 41 19.213 4.013 -5.623
280 HA SER 41 HA SER 41 17.150 2.164 -4.899
281 HB2 SER 41 1HB SER 41 15.610 3.893 -5.389
282 HB3 SER 41 2HB SER 41 16.534 4.429 -6.792
283 HG SER 41 HG SER 41 15.543 1.813 -6.763
284 H GLY 42 H GLY 42 17.726 0.321 -5.827
285 HA2 GLY 42 1HA GLY 42 18.921 -1.118 -7.191
286 HA3 GLY 42 2HA GLY 42 18.000 -0.298 -8.443
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -11.511 -8.671 -16.681
2 HA2 GLY 1 1HA GLY 1 -13.432 -10.032 -14.899
3 HA3 GLY 1 2HA GLY 1 -13.676 -9.781 -16.621
4 H SER 2 H SER 2 -11.299 -11.295 -14.436
5 HA SER 2 HA SER 2 -11.243 -13.595 -16.277
6 HB2 SER 2 1HB SER 2 -8.995 -12.087 -15.009
7 HB3 SER 2 2HB SER 2 -8.810 -13.823 -15.259
8 HG SER 2 HG SER 2 -9.114 -13.520 -17.447
9 H SER 3 H SER 3 -11.147 -15.635 -15.368
10 HA SER 3 HA SER 3 -11.692 -15.730 -12.476
11 HB2 SER 3 1HB SER 3 -12.585 -17.517 -14.740
12 HB3 SER 3 2HB SER 3 -12.737 -17.987 -13.047
13 HG SER 3 HG SER 3 -14.573 -16.957 -13.232
14 H GLY 4 H GLY 4 -10.407 -16.888 -11.163
15 HA2 GLY 4 1HA GLY 4 -8.836 -19.101 -12.026
16 HA3 GLY 4 2HA GLY 4 -7.848 -17.654 -11.881
17 H SER 5 H SER 5 -6.924 -19.403 -10.300
18 HA SER 5 HA SER 5 -8.296 -19.558 -7.765
19 HB2 SER 5 1HB SER 5 -6.875 -21.416 -8.675
20 HB3 SER 5 2HB SER 5 -5.461 -20.394 -8.415
21 HG SER 5 HG SER 5 -6.866 -21.879 -6.633
22 H SER 6 H SER 6 -7.843 -16.908 -8.521
23 HA SER 6 HA SER 6 -6.599 -15.889 -6.187
24 HB2 SER 6 1HB SER 6 -4.614 -16.511 -7.695
25 HB3 SER 6 2HB SER 6 -5.124 -15.166 -8.716
26 HG SER 6 HG SER 6 -3.965 -14.025 -7.385
27 H GLY 7 H GLY 7 -7.443 -13.941 -5.730
28 HA2 GLY 7 1HA GLY 7 -8.402 -12.239 -7.910
29 HA3 GLY 7 2HA GLY 7 -9.584 -12.790 -6.732
30 H GLU 8 H GLU 8 -6.230 -11.641 -6.398
31 HA GLU 8 HA GLU 8 -6.620 -10.284 -4.008
32 HB2 GLU 8 1HB GLU 8 -4.534 -9.094 -4.518
33 HB3 GLU 8 2HB GLU 8 -4.402 -10.811 -4.873
34 HG2 GLU 8 1HG GLU 8 -3.409 -9.913 -6.720
35 HG3 GLU 8 2HG GLU 8 -5.072 -10.064 -7.284
36 H LYS 9 H LYS 9 -6.672 -7.990 -3.562
37 HA LYS 9 HA LYS 9 -8.773 -6.642 -4.741
38 HB2 LYS 9 1HB LYS 9 -6.452 -5.749 -3.069
39 HB3 LYS 9 2HB LYS 9 -7.556 -4.553 -3.735
40 HG2 LYS 9 1HG LYS 9 -8.559 -4.902 -1.731
41 HG3 LYS 9 2HG LYS 9 -9.364 -6.164 -2.668
42 HD2 LYS 9 1HD LYS 9 -7.520 -7.721 -1.883
43 HD3 LYS 9 2HD LYS 9 -7.068 -6.452 -0.743
44 HE2 LYS 9 1HE LYS 9 -8.506 -8.004 0.382
45 HE3 LYS 9 2HE LYS 9 -9.393 -6.501 0.138
46 HZ1 LYS 9 3HZ LYS 9 -10.658 -8.574 -0.369
47 HZ2 LYS 9 1HZ LYS 9 -9.619 -8.832 -1.679
48 HZ3 LYS 9 2HZ LYS 9 -10.603 -7.458 -1.639
49 HA PRO 10 HA PRO 10 -7.337 -4.819 -8.465
50 HB2 PRO 10 1HB PRO 10 -8.574 -2.402 -8.426
51 HB3 PRO 10 2HB PRO 10 -9.436 -3.918 -8.713
52 HG2 PRO 10 1HG PRO 10 -9.195 -2.326 -6.190
53 HG3 PRO 10 2HG PRO 10 -10.623 -3.119 -6.880
54 HD2 PRO 10 1HD PRO 10 -9.187 -4.207 -4.859
55 HD3 PRO 10 2HD PRO 10 -10.012 -5.193 -6.083
56 H TYR 11 H TYR 11 -6.371 -3.668 -5.481
57 HA TYR 11 HA TYR 11 -4.446 -1.824 -6.735
58 HB2 TYR 11 1HB TYR 11 -5.640 -1.532 -3.971
59 HB3 TYR 11 2HB TYR 11 -4.505 -0.430 -4.743
60 HD1 TYR 11 HD1 TYR 11 -5.312 0.598 -7.019
61 HD2 TYR 11 HD2 TYR 11 -7.907 -1.077 -4.093
62 HE1 TYR 11 HE1 TYR 11 -7.189 1.880 -7.959
63 HE2 TYR 11 HE2 TYR 11 -9.791 0.200 -5.025
64 HH TYR 11 HH TYR 11 -10.461 1.609 -6.599
65 H SER 12 H SER 12 -2.431 -2.517 -6.559
66 HA SER 12 HA SER 12 -1.581 -3.881 -4.113
67 HB2 SER 12 1HB SER 12 -0.634 -5.735 -5.220
68 HB3 SER 12 2HB SER 12 -2.213 -5.540 -5.980
69 HG SER 12 HG SER 12 0.158 -5.535 -7.144
70 H CYS 13 H CYS 13 0.694 -3.821 -3.741
71 HA CYS 13 HA CYS 13 1.952 -1.497 -4.980
72 HB2 CYS 13 1HB CYS 13 1.786 -2.088 -2.402
73 HB3 CYS 13 2HB CYS 13 3.237 -3.020 -2.756
74 H ALA 14 H ALA 14 4.312 -1.613 -5.440
75 HA ALA 14 HA ALA 14 4.965 -4.194 -6.702
76 HB1 ALA 14 3HB ALA 14 5.933 -3.105 -8.470
77 HB2 ALA 14 1HB ALA 14 4.658 -1.961 -8.050
78 HB3 ALA 14 2HB ALA 14 6.315 -1.669 -7.520
79 H GLU 15 H GLU 15 6.089 -1.673 -4.571
80 HA GLU 15 HA GLU 15 8.787 -2.658 -4.420
81 HB2 GLU 15 1HB GLU 15 7.271 -0.654 -2.743
82 HB3 GLU 15 2HB GLU 15 8.971 -1.037 -2.514
83 HG2 GLU 15 1HG GLU 15 8.799 0.977 -3.786
84 HG3 GLU 15 2HG GLU 15 9.407 -0.303 -4.834
85 H CYS 16 H CYS 16 6.043 -2.572 -2.147
86 HA CYS 16 HA CYS 16 7.364 -4.620 -0.525
87 HB2 CYS 16 1HB CYS 16 5.701 -4.085 1.185
88 HB3 CYS 16 2HB CYS 16 6.515 -2.623 0.638
89 H LYS 17 H LYS 17 4.819 -4.203 -2.785
90 HA LYS 17 HA LYS 17 3.370 -5.668 -3.752
91 HB2 LYS 17 1HB LYS 17 4.828 -7.792 -2.169
92 HB3 LYS 17 2HB LYS 17 3.790 -8.056 -3.565
93 HG2 LYS 17 1HG LYS 17 6.270 -6.375 -3.726
94 HG3 LYS 17 2HG LYS 17 6.303 -8.127 -3.941
95 HD2 LYS 17 1HD LYS 17 4.357 -7.617 -5.642
96 HD3 LYS 17 2HD LYS 17 5.102 -6.017 -5.670
97 HE2 LYS 17 1HE LYS 17 6.084 -7.268 -7.433
98 HE3 LYS 17 2HE LYS 17 7.288 -7.157 -6.150
99 HZ1 LYS 17 3HZ LYS 17 7.434 -9.358 -6.470
100 HZ2 LYS 17 1HZ LYS 17 5.911 -9.478 -7.196
101 HZ3 LYS 17 2HZ LYS 17 6.043 -9.433 -5.511
102 H GLU 18 H GLU 18 2.419 -4.293 -1.607
103 HA GLU 18 HA GLU 18 0.973 -6.245 0.037
104 HB2 GLU 18 1HB GLU 18 2.261 -4.101 0.904
105 HB3 GLU 18 2HB GLU 18 0.754 -3.301 0.479
106 HG2 GLU 18 1HG GLU 18 0.479 -3.815 2.717
107 HG3 GLU 18 2HG GLU 18 -0.376 -5.118 1.892
108 H THR 19 H THR 19 -1.325 -5.910 0.419
109 HA THR 19 HA THR 19 -2.671 -5.045 -2.037
110 HB THR 19 HB THR 19 -4.632 -6.299 -1.145
111 HG1 THR 19 HG1 THR 19 -3.782 -7.851 0.633
112 HG21 THR 19 3HG2 THR 19 -3.851 -8.044 -2.290
113 HG22 THR 19 1HG2 THR 19 -2.729 -8.449 -0.992
114 HG23 THR 19 2HG2 THR 19 -2.251 -7.304 -2.245
115 H PHE 20 H PHE 20 -4.593 -3.782 -1.946
116 HA PHE 20 HA PHE 20 -5.111 -2.366 0.561
117 HB2 PHE 20 1HB PHE 20 -4.568 -0.978 -2.072
118 HB3 PHE 20 2HB PHE 20 -5.100 -0.187 -0.592
119 HD1 PHE 20 HD2 PHE 20 -2.311 -1.946 -2.219
120 HD2 PHE 20 HD1 PHE 20 -3.577 0.301 1.167
121 HE1 PHE 20 HE2 PHE 20 0.035 -1.667 -1.531
122 HE2 PHE 20 HE1 PHE 20 -1.233 0.584 1.860
123 HZ PHE 20 HZ PHE 20 0.576 -0.402 0.512
124 H SER 21 H SER 21 -7.205 -1.663 0.818
125 HA SER 21 HA SER 21 -9.197 -2.987 -0.705
126 HB2 SER 21 1HB SER 21 -10.785 -1.588 0.676
127 HB3 SER 21 2HB SER 21 -9.641 -2.553 1.610
128 HG SER 21 HG SER 21 -8.491 -0.748 2.081
129 H ASP 22 H ASP 22 -8.313 0.448 -0.417
130 HA ASP 22 HA ASP 22 -9.631 0.903 -3.014
131 HB2 ASP 22 1HB ASP 22 -10.705 1.929 -0.881
132 HB3 ASP 22 2HB ASP 22 -9.361 3.066 -0.947
133 H ASN 23 H ASN 23 -8.786 2.941 -4.100
134 HA ASN 23 HA ASN 23 -5.999 2.664 -4.497
135 HB2 ASN 23 1HB ASN 23 -7.011 3.448 -6.405
136 HB3 ASN 23 2HB ASN 23 -8.130 4.479 -5.517
137 HD21 ASN 23 1HD2 ASN 23 -5.054 4.236 -7.032
138 HD22 ASN 23 2HD2 ASN 23 -4.596 5.893 -6.860
139 H ASN 24 H ASN 24 -7.891 5.358 -3.121
140 HA ASN 24 HA ASN 24 -6.028 7.153 -2.433
141 HB2 ASN 24 1HB ASN 24 -7.990 6.262 -0.331
142 HB3 ASN 24 2HB ASN 24 -7.414 7.890 -0.674
143 HD21 ASN 24 1HD2 ASN 24 -10.115 6.437 -0.625
144 HD22 ASN 24 2HD2 ASN 24 -10.875 6.964 -2.085
145 H ARG 25 H ARG 25 -6.700 4.212 -0.551
146 HA ARG 25 HA ARG 25 -4.790 4.642 1.456
147 HB2 ARG 25 1HB ARG 25 -6.136 2.188 0.369
148 HB3 ARG 25 2HB ARG 25 -4.881 2.048 1.592
149 HG2 ARG 25 1HG ARG 25 -6.378 3.865 2.805
150 HG3 ARG 25 2HG ARG 25 -7.632 3.126 1.807
151 HD2 ARG 25 1HD ARG 25 -6.656 0.890 2.707
152 HD3 ARG 25 2HD ARG 25 -5.967 1.907 3.972
153 HE ARG 25 HE ARG 25 -8.805 2.244 3.523
154 HH11 ARG 25 1HH1 ARG 25 -6.311 0.606 5.317
155 HH12 ARG 25 2HH1 ARG 25 -7.350 0.200 6.643
156 HH21 ARG 25 1HH2 ARG 25 -10.182 1.717 5.263
157 HH22 ARG 25 2HH2 ARG 25 -9.552 0.832 6.611
158 H LEU 26 H LEU 26 -4.561 2.881 -1.618
159 HA LEU 26 HA LEU 26 -1.910 1.991 -1.283
160 HB2 LEU 26 1HB LEU 26 -3.286 0.950 -2.919
161 HB3 LEU 26 2HB LEU 26 -3.582 2.484 -3.734
162 HG LEU 26 HG LEU 26 -1.065 2.478 -4.237
163 HD11 LEU 26 1HD1 LEU 26 -0.050 0.250 -4.349
164 HD12 LEU 26 2HD1 LEU 26 -1.461 -0.428 -3.538
165 HD13 LEU 26 3HD1 LEU 26 -0.424 0.720 -2.691
166 HD21 LEU 26 3HD2 LEU 26 -2.867 0.423 -5.512
167 HD22 LEU 26 1HD2 LEU 26 -1.401 1.097 -6.223
168 HD23 LEU 26 2HD2 LEU 26 -2.793 2.137 -5.924
169 H VAL 27 H VAL 27 -3.201 4.762 -3.116
170 HA VAL 27 HA VAL 27 -0.848 5.831 -4.059
171 HB VAL 27 HB VAL 27 -3.247 7.364 -3.047
172 HG11 VAL 27 1HG1 VAL 27 -2.299 9.262 -3.731
173 HG12 VAL 27 2HG1 VAL 27 -0.778 8.368 -3.781
174 HG13 VAL 27 3HG1 VAL 27 -1.753 8.535 -5.242
175 HG21 VAL 27 3HG2 VAL 27 -4.305 6.408 -4.759
176 HG22 VAL 27 1HG2 VAL 27 -3.244 7.329 -5.825
177 HG23 VAL 27 2HG2 VAL 27 -2.815 5.682 -5.362
178 H GLN 28 H GLN 28 -2.463 6.720 -1.004
179 HA GLN 28 HA GLN 28 -0.501 8.450 -0.055
180 HB2 GLN 28 1HB GLN 28 -2.431 6.684 1.454
181 HB3 GLN 28 2HB GLN 28 -1.441 7.922 2.216
182 HG2 GLN 28 1HG GLN 28 -2.514 9.601 0.726
183 HG3 GLN 28 2HG GLN 28 -3.592 8.330 0.153
184 HE21 GLN 28 1HE2 GLN 28 -2.776 10.434 2.773
185 HE22 GLN 28 2HE2 GLN 28 -4.173 10.118 3.739
186 H HIS 29 H HIS 29 -0.853 4.953 0.418
187 HA HIS 29 HA HIS 29 1.229 4.531 2.201
188 HB2 HIS 29 1HB HIS 29 -0.161 2.685 1.806
189 HB3 HIS 29 2HB HIS 29 0.006 2.816 0.058
190 HD1 HIS 29 HD1 HIS 29 1.566 1.303 3.056
191 HD2 HIS 29 HD2 HIS 29 2.420 1.735 -0.987
192 HE1 HIS 29 HE1 HIS 29 3.439 -0.309 2.588
193 H GLN 30 H GLN 30 1.336 4.407 -1.357
194 HA GLN 30 HA GLN 30 3.973 3.779 -1.749
195 HB2 GLN 30 1HB GLN 30 2.147 5.612 -3.288
196 HB3 GLN 30 2HB GLN 30 3.783 5.266 -3.831
197 HG2 GLN 30 1HG GLN 30 3.185 2.834 -3.779
198 HG3 GLN 30 2HG GLN 30 1.517 3.324 -3.488
199 HE21 GLN 30 1HE2 GLN 30 0.433 2.983 -5.292
200 HE22 GLN 30 2HE2 GLN 30 0.921 3.470 -6.876
201 H LYS 31 H LYS 31 2.602 6.923 -0.933
202 HA LYS 31 HA LYS 31 4.620 8.670 -1.339
203 HB2 LYS 31 1HB LYS 31 3.026 8.479 1.224
204 HB3 LYS 31 2HB LYS 31 3.866 9.908 0.635
205 HG2 LYS 31 1HG LYS 31 1.824 8.646 -1.118
206 HG3 LYS 31 2HG LYS 31 1.283 9.586 0.276
207 HD2 LYS 31 1HD LYS 31 2.528 11.516 -0.511
208 HD3 LYS 31 2HD LYS 31 3.163 10.580 -1.866
209 HE2 LYS 31 1HE LYS 31 1.410 11.736 -2.839
210 HE3 LYS 31 2HE LYS 31 0.665 10.189 -2.440
211 HZ1 LYS 31 3HZ LYS 31 -0.101 11.277 -0.332
212 HZ2 LYS 31 1HZ LYS 31 -0.822 11.862 -1.746
213 HZ3 LYS 31 2HZ LYS 31 0.396 12.756 -0.986
214 H MET 32 H MET 32 4.405 6.424 1.403
215 HA MET 32 HA MET 32 6.727 7.226 2.734
216 HB2 MET 32 1HB MET 32 5.356 4.540 2.604
217 HB3 MET 32 2HB MET 32 6.699 4.889 3.685
218 HG2 MET 32 1HG MET 32 5.140 6.901 4.388
219 HG3 MET 32 2HG MET 32 3.887 5.820 3.784
220 HE1 MET 32 3HE MET 32 2.600 5.413 5.956
221 HE2 MET 32 1HE MET 32 2.894 3.911 5.080
222 HE3 MET 32 2HE MET 32 3.064 3.955 6.835
223 H HIS 33 H HIS 33 6.255 4.859 0.149
224 HA HIS 33 HA HIS 33 8.890 3.861 0.109
225 HB2 HIS 33 1HB HIS 33 6.692 3.943 -1.948
226 HB3 HIS 33 2HB HIS 33 8.267 3.245 -2.310
227 HD1 HIS 33 HD1 HIS 33 8.733 1.778 0.390
228 HD2 HIS 33 HD2 HIS 33 5.205 1.654 -1.802
229 HE1 HIS 33 HE1 HIS 33 7.577 -0.342 1.095
230 H THR 34 H THR 34 7.365 6.607 -1.474
231 HA THR 34 HA THR 34 9.624 7.219 -3.128
232 HB THR 34 HB THR 34 8.445 9.348 -3.590
233 HG1 THR 34 HG1 THR 34 7.345 9.839 -1.763
234 HG21 THR 34 3HG2 THR 34 7.538 8.039 -5.160
235 HG22 THR 34 1HG2 THR 34 6.136 7.902 -4.101
236 HG23 THR 34 2HG2 THR 34 7.402 6.676 -4.049
237 H VAL 35 H VAL 35 11.435 8.192 -2.522
238 HA VAL 35 HA VAL 35 11.527 9.551 0.068
239 HB VAL 35 HB VAL 35 13.812 8.768 -1.748
240 HG11 VAL 35 1HG1 VAL 35 13.628 10.179 0.844
241 HG12 VAL 35 2HG1 VAL 35 14.906 8.973 0.687
242 HG13 VAL 35 3HG1 VAL 35 14.822 10.323 -0.445
243 HG21 VAL 35 3HG2 VAL 35 13.135 6.701 -1.089
244 HG22 VAL 35 1HG2 VAL 35 14.077 7.129 0.339
245 HG23 VAL 35 2HG2 VAL 35 12.322 7.304 0.354
246 H LYS 36 H LYS 36 12.320 10.092 -3.343
247 HA LYS 36 HA LYS 36 12.988 12.000 -4.446
248 HB2 LYS 36 1HB LYS 36 11.268 13.677 -4.458
249 HB3 LYS 36 2HB LYS 36 10.498 12.105 -4.297
250 HG2 LYS 36 1HG LYS 36 10.236 12.474 -1.898
251 HG3 LYS 36 2HG LYS 36 11.013 14.051 -2.057
252 HD2 LYS 36 1HD LYS 36 8.531 13.288 -3.581
253 HD3 LYS 36 2HD LYS 36 8.481 14.052 -1.990
254 HE2 LYS 36 1HE LYS 36 10.062 15.259 -4.232
255 HE3 LYS 36 2HE LYS 36 8.326 15.538 -4.098
256 HZ1 LYS 36 3HZ LYS 36 10.221 16.072 -1.882
257 HZ2 LYS 36 1HZ LYS 36 8.607 16.566 -2.007
258 HZ3 LYS 36 2HZ LYS 36 9.780 17.244 -3.019
259 H SER 37 H SER 37 14.459 11.629 -2.028
260 HA SER 37 HA SER 37 14.951 14.440 -1.291
261 HB2 SER 37 1HB SER 37 13.981 13.099 0.580
262 HB3 SER 37 2HB SER 37 15.382 12.031 0.491
263 HG SER 37 HG SER 37 16.493 14.292 0.674
264 H GLY 38 H GLY 38 16.173 13.292 -3.494
265 HA2 GLY 38 1HA GLY 38 18.880 13.816 -3.016
266 HA3 GLY 38 2HA GLY 38 18.660 12.073 -2.965
267 HA PRO 39 HA PRO 39 19.287 13.607 -7.376
268 HB2 PRO 39 1HB PRO 39 21.617 12.293 -7.838
269 HB3 PRO 39 2HB PRO 39 21.552 13.929 -7.170
270 HG2 PRO 39 1HG PRO 39 21.926 11.318 -5.754
271 HG3 PRO 39 2HG PRO 39 22.769 12.857 -5.502
272 HD2 PRO 39 1HD PRO 39 20.756 12.018 -3.896
273 HD3 PRO 39 2HD PRO 39 21.051 13.735 -4.239
274 H SER 40 H SER 40 18.592 10.865 -5.693
275 HA SER 40 HA SER 40 18.217 9.316 -8.168
276 HB2 SER 40 1HB SER 40 20.030 8.263 -6.967
277 HB3 SER 40 2HB SER 40 19.105 8.281 -5.466
278 HG SER 40 HG SER 40 18.891 6.604 -7.675
279 H SER 41 H SER 41 16.141 8.991 -8.560
280 HA SER 41 HA SER 41 14.289 8.792 -6.274
281 HB2 SER 41 1HB SER 41 12.596 9.897 -7.552
282 HB3 SER 41 2HB SER 41 14.060 10.868 -7.710
283 HG SER 41 HG SER 41 12.687 9.402 -9.610
284 H GLY 42 H GLY 42 14.915 7.750 -9.608
285 HA2 GLY 42 1HA GLY 42 12.901 5.954 -10.035
286 HA3 GLY 42 2HA GLY 42 14.544 5.708 -10.608
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -0.980 -22.467 1.761
2 HA2 GLY 1 1HA GLY 1 -1.378 -24.358 -0.407
3 HA3 GLY 1 2HA GLY 1 -2.248 -24.724 1.076
4 H SER 2 H SER 2 -3.956 -24.466 -0.761
5 HA SER 2 HA SER 2 -4.815 -21.651 -0.862
6 HB2 SER 2 1HB SER 2 -6.146 -22.288 -2.841
7 HB3 SER 2 2HB SER 2 -4.432 -22.627 -3.075
8 HG SER 2 HG SER 2 -4.926 -24.821 -2.456
9 H SER 3 H SER 3 -5.306 -22.983 1.474
10 HA SER 3 HA SER 3 -7.949 -24.141 1.430
11 HB2 SER 3 1HB SER 3 -6.012 -23.472 3.645
12 HB3 SER 3 2HB SER 3 -7.637 -24.076 3.967
13 HG SER 3 HG SER 3 -6.860 -25.776 2.309
14 H GLY 4 H GLY 4 -8.073 -21.634 0.323
15 HA2 GLY 4 1HA GLY 4 -10.080 -20.404 1.923
16 HA3 GLY 4 2HA GLY 4 -8.591 -19.471 1.968
17 H SER 5 H SER 5 -11.290 -20.485 0.036
18 HA SER 5 HA SER 5 -10.327 -19.206 -2.369
19 HB2 SER 5 1HB SER 5 -13.052 -20.351 -1.708
20 HB3 SER 5 2HB SER 5 -12.523 -19.824 -3.306
21 HG SER 5 HG SER 5 -10.781 -21.420 -3.019
22 H SER 6 H SER 6 -10.042 -17.047 -1.880
23 HA SER 6 HA SER 6 -12.513 -15.545 -1.307
24 HB2 SER 6 1HB SER 6 -10.646 -15.596 0.500
25 HB3 SER 6 2HB SER 6 -9.786 -14.503 -0.584
26 HG SER 6 HG SER 6 -10.927 -13.100 0.551
27 H GLY 7 H GLY 7 -9.211 -14.952 -2.540
28 HA2 GLY 7 1HA GLY 7 -9.293 -14.461 -5.064
29 HA3 GLY 7 2HA GLY 7 -10.396 -13.183 -4.575
30 H GLU 8 H GLU 8 -9.411 -11.285 -4.695
31 HA GLU 8 HA GLU 8 -7.139 -10.671 -3.123
32 HB2 GLU 8 1HB GLU 8 -5.562 -10.118 -4.936
33 HB3 GLU 8 2HB GLU 8 -5.918 -11.838 -4.868
34 HG2 GLU 8 1HG GLU 8 -5.993 -11.402 -7.126
35 HG3 GLU 8 2HG GLU 8 -7.692 -11.307 -6.665
36 H LYS 9 H LYS 9 -6.287 -8.397 -3.733
37 HA LYS 9 HA LYS 9 -8.641 -6.732 -4.239
38 HB2 LYS 9 1HB LYS 9 -6.000 -6.232 -2.887
39 HB3 LYS 9 2HB LYS 9 -7.050 -4.903 -3.360
40 HG2 LYS 9 1HG LYS 9 -7.655 -5.242 -1.168
41 HG3 LYS 9 2HG LYS 9 -8.863 -6.198 -2.030
42 HD2 LYS 9 1HD LYS 9 -7.715 -8.226 -1.554
43 HD3 LYS 9 2HD LYS 9 -6.299 -7.358 -0.956
44 HE2 LYS 9 1HE LYS 9 -7.387 -6.701 1.005
45 HE3 LYS 9 2HE LYS 9 -8.985 -7.027 0.336
46 HZ1 LYS 9 3HZ LYS 9 -6.953 -9.002 1.206
47 HZ2 LYS 9 1HZ LYS 9 -8.319 -9.425 0.300
48 HZ3 LYS 9 2HZ LYS 9 -8.501 -8.758 1.844
49 HA PRO 10 HA PRO 10 -7.218 -5.484 -8.213
50 HB2 PRO 10 1HB PRO 10 -8.506 -3.101 -8.406
51 HB3 PRO 10 2HB PRO 10 -9.335 -4.655 -8.546
52 HG2 PRO 10 1HG PRO 10 -9.131 -2.823 -6.187
53 HG3 PRO 10 2HG PRO 10 -10.541 -3.708 -6.798
54 HD2 PRO 10 1HD PRO 10 -9.086 -4.567 -4.682
55 HD3 PRO 10 2HD PRO 10 -9.889 -5.684 -5.805
56 H TYR 11 H TYR 11 -6.371 -3.929 -5.342
57 HA TYR 11 HA TYR 11 -4.564 -2.083 -6.757
58 HB2 TYR 11 1HB TYR 11 -5.530 -1.935 -3.894
59 HB3 TYR 11 2HB TYR 11 -4.495 -0.762 -4.700
60 HD1 TYR 11 HD1 TYR 11 -5.469 0.427 -6.771
61 HD2 TYR 11 HD2 TYR 11 -7.847 -1.678 -3.939
62 HE1 TYR 11 HE1 TYR 11 -7.454 1.667 -7.526
63 HE2 TYR 11 HE2 TYR 11 -9.839 -0.444 -4.687
64 HH TYR 11 HH TYR 11 -10.187 1.015 -7.405
65 H SER 12 H SER 12 -2.429 -2.356 -6.577
66 HA SER 12 HA SER 12 -1.360 -3.982 -4.391
67 HB2 SER 12 1HB SER 12 -0.067 -5.384 -5.863
68 HB3 SER 12 2HB SER 12 -1.749 -5.461 -6.386
69 HG SER 12 HG SER 12 -1.041 -3.652 -7.861
70 H CYS 13 H CYS 13 0.881 -3.658 -3.981
71 HA CYS 13 HA CYS 13 1.862 -1.085 -5.012
72 HB2 CYS 13 1HB CYS 13 1.535 -1.131 -2.597
73 HB3 CYS 13 2HB CYS 13 2.552 -2.562 -2.464
74 H ALA 14 H ALA 14 3.634 -1.017 -6.232
75 HA ALA 14 HA ALA 14 5.032 -3.488 -6.824
76 HB1 ALA 14 3HB ALA 14 5.746 -0.829 -7.997
77 HB2 ALA 14 1HB ALA 14 5.866 -2.436 -8.714
78 HB3 ALA 14 2HB ALA 14 4.287 -1.675 -8.510
79 H GLU 15 H GLU 15 5.379 -2.352 -4.177
80 HA GLU 15 HA GLU 15 8.296 -1.996 -4.249
81 HB2 GLU 15 1HB GLU 15 6.428 -0.486 -2.413
82 HB3 GLU 15 2HB GLU 15 8.179 -0.343 -2.468
83 HG2 GLU 15 1HG GLU 15 6.417 0.300 -4.812
84 HG3 GLU 15 2HG GLU 15 6.873 1.489 -3.594
85 H CYS 16 H CYS 16 5.579 -2.504 -1.991
86 HA CYS 16 HA CYS 16 7.251 -4.456 -0.557
87 HB2 CYS 16 1HB CYS 16 5.885 -4.042 1.396
88 HB3 CYS 16 2HB CYS 16 6.458 -2.502 0.764
89 H LYS 17 H LYS 17 4.816 -4.282 -2.772
90 HA LYS 17 HA LYS 17 3.326 -5.779 -3.616
91 HB2 LYS 17 1HB LYS 17 5.113 -7.554 -1.989
92 HB3 LYS 17 2HB LYS 17 3.674 -8.219 -2.751
93 HG2 LYS 17 1HG LYS 17 5.376 -8.629 -4.282
94 HG3 LYS 17 2HG LYS 17 4.568 -7.193 -4.915
95 HD2 LYS 17 1HD LYS 17 6.840 -6.681 -5.088
96 HD3 LYS 17 2HD LYS 17 6.337 -5.868 -3.604
97 HE2 LYS 17 1HE LYS 17 8.279 -6.892 -2.918
98 HE3 LYS 17 2HE LYS 17 7.079 -8.106 -2.476
99 HZ1 LYS 17 3HZ LYS 17 7.879 -9.547 -3.967
100 HZ2 LYS 17 1HZ LYS 17 9.272 -8.587 -3.952
101 HZ3 LYS 17 2HZ LYS 17 8.108 -8.368 -5.159
102 H GLU 18 H GLU 18 2.440 -4.221 -1.495
103 HA GLU 18 HA GLU 18 0.911 -6.013 0.237
104 HB2 GLU 18 1HB GLU 18 2.017 -4.170 1.351
105 HB3 GLU 18 2HB GLU 18 1.265 -3.012 0.263
106 HG2 GLU 18 1HG GLU 18 -0.002 -2.825 2.182
107 HG3 GLU 18 2HG GLU 18 -0.960 -3.916 1.182
108 H THR 19 H THR 19 -1.350 -5.931 0.390
109 HA THR 19 HA THR 19 -2.661 -4.952 -2.051
110 HB THR 19 HB THR 19 -4.492 -6.523 -1.486
111 HG1 THR 19 HG1 THR 19 -4.327 -6.780 0.703
112 HG21 THR 19 3HG2 THR 19 -2.550 -7.177 -2.932
113 HG22 THR 19 1HG2 THR 19 -3.352 -8.528 -2.131
114 HG23 THR 19 2HG2 THR 19 -1.817 -7.920 -1.510
115 H PHE 20 H PHE 20 -4.355 -3.557 -1.978
116 HA PHE 20 HA PHE 20 -5.280 -2.684 0.677
117 HB2 PHE 20 1HB PHE 20 -4.710 -0.903 -1.701
118 HB3 PHE 20 2HB PHE 20 -5.371 -0.373 -0.158
119 HD1 PHE 20 HD2 PHE 20 -2.382 -1.748 -1.820
120 HD2 PHE 20 HD1 PHE 20 -3.972 0.034 1.703
121 HE1 PHE 20 HE2 PHE 20 -0.100 -1.406 -0.967
122 HE2 PHE 20 HE1 PHE 20 -1.692 0.380 2.561
123 HZ PHE 20 HZ PHE 20 0.248 -0.341 1.226
124 H SER 21 H SER 21 -7.407 -1.688 0.693
125 HA SER 21 HA SER 21 -9.200 -3.059 -1.128
126 HB2 SER 21 1HB SER 21 -10.977 -2.318 0.365
127 HB3 SER 21 2HB SER 21 -9.658 -3.007 1.312
128 HG SER 21 HG SER 21 -8.926 -0.733 1.498
129 H ASP 22 H ASP 22 -8.284 0.245 -0.299
130 HA ASP 22 HA ASP 22 -9.848 1.193 -2.611
131 HB2 ASP 22 1HB ASP 22 -10.084 3.320 -1.526
132 HB3 ASP 22 2HB ASP 22 -10.544 2.077 -0.365
133 H ASN 23 H ASN 23 -8.923 2.983 -3.826
134 HA ASN 23 HA ASN 23 -6.186 2.516 -4.455
135 HB2 ASN 23 1HB ASN 23 -6.508 3.926 -6.269
136 HB3 ASN 23 2HB ASN 23 -8.147 3.355 -5.972
137 HD21 ASN 23 1HD2 ASN 23 -6.088 6.043 -6.163
138 HD22 ASN 23 2HD2 ASN 23 -7.232 7.253 -5.703
139 H ASN 24 H ASN 24 -7.913 5.248 -2.974
140 HA ASN 24 HA ASN 24 -5.961 7.091 -2.646
141 HB2 ASN 24 1HB ASN 24 -8.416 6.990 -1.723
142 HB3 ASN 24 2HB ASN 24 -7.634 6.426 -0.250
143 HD21 ASN 24 1HD2 ASN 24 -9.009 8.681 -0.065
144 HD22 ASN 24 2HD2 ASN 24 -7.965 10.053 0.041
145 H ARG 25 H ARG 25 -6.572 4.478 -0.293
146 HA ARG 25 HA ARG 25 -4.457 4.935 1.409
147 HB2 ARG 25 1HB ARG 25 -6.019 2.519 0.644
148 HB3 ARG 25 2HB ARG 25 -4.540 2.274 1.562
149 HG2 ARG 25 1HG ARG 25 -5.542 4.095 3.133
150 HG3 ARG 25 2HG ARG 25 -7.065 3.637 2.367
151 HD2 ARG 25 1HD ARG 25 -6.864 2.308 4.318
152 HD3 ARG 25 2HD ARG 25 -6.511 1.252 2.951
153 HE ARG 25 HE ARG 25 -4.327 1.075 3.676
154 HH11 ARG 25 1HH1 ARG 25 -6.002 3.524 5.496
155 HH12 ARG 25 2HH1 ARG 25 -4.753 3.677 6.688
156 HH21 ARG 25 1HH2 ARG 25 -2.676 1.266 5.238
157 HH22 ARG 25 2HH2 ARG 25 -2.861 2.393 6.539
158 H LEU 26 H LEU 26 -4.479 2.909 -1.513
159 HA LEU 26 HA LEU 26 -1.861 1.982 -1.385
160 HB2 LEU 26 1HB LEU 26 -3.467 1.086 -2.949
161 HB3 LEU 26 2HB LEU 26 -3.556 2.631 -3.791
162 HG LEU 26 HG LEU 26 -1.085 2.286 -4.333
163 HD11 LEU 26 1HD1 LEU 26 -0.301 0.600 -2.992
164 HD12 LEU 26 2HD1 LEU 26 -0.663 -0.294 -4.468
165 HD13 LEU 26 3HD1 LEU 26 -1.789 -0.339 -3.112
166 HD21 LEU 26 3HD2 LEU 26 -3.086 1.967 -5.866
167 HD22 LEU 26 1HD2 LEU 26 -2.923 0.240 -5.545
168 HD23 LEU 26 2HD2 LEU 26 -1.602 1.123 -6.312
169 H VAL 27 H VAL 27 -3.103 4.838 -3.118
170 HA VAL 27 HA VAL 27 -0.701 5.780 -4.133
171 HB VAL 27 HB VAL 27 -3.057 7.407 -3.168
172 HG11 VAL 27 1HG1 VAL 27 -0.848 8.623 -3.502
173 HG12 VAL 27 2HG1 VAL 27 -1.021 8.239 -5.215
174 HG13 VAL 27 3HG1 VAL 27 -2.235 9.230 -4.406
175 HG21 VAL 27 3HG2 VAL 27 -3.243 7.411 -5.849
176 HG22 VAL 27 1HG2 VAL 27 -2.513 5.824 -5.600
177 HG23 VAL 27 2HG2 VAL 27 -4.046 6.222 -4.823
178 H GLN 28 H GLN 28 -2.313 6.964 -1.174
179 HA GLN 28 HA GLN 28 -0.264 8.577 -0.252
180 HB2 GLN 28 1HB GLN 28 -2.468 7.084 1.125
181 HB3 GLN 28 2HB GLN 28 -1.271 7.952 2.077
182 HG2 GLN 28 1HG GLN 28 -2.755 9.306 -0.140
183 HG3 GLN 28 2HG GLN 28 -3.462 9.138 1.466
184 HE21 GLN 28 1HE2 GLN 28 -2.701 10.367 3.131
185 HE22 GLN 28 2HE2 GLN 28 -1.549 11.638 2.928
186 H HIS 29 H HIS 29 -0.730 5.109 0.160
187 HA HIS 29 HA HIS 29 1.332 4.693 2.041
188 HB2 HIS 29 1HB HIS 29 -0.191 2.926 1.858
189 HB3 HIS 29 2HB HIS 29 -0.111 2.913 0.099
190 HD1 HIS 29 HD1 HIS 29 1.428 1.449 3.111
191 HD2 HIS 29 HD2 HIS 29 2.232 1.645 -0.960
192 HE1 HIS 29 HE1 HIS 29 3.171 -0.313 2.684
193 H GLN 30 H GLN 30 1.281 4.390 -1.501
194 HA GLN 30 HA GLN 30 3.801 3.464 -1.996
195 HB2 GLN 30 1HB GLN 30 2.216 5.549 -3.493
196 HB3 GLN 30 2HB GLN 30 3.714 4.862 -4.105
197 HG2 GLN 30 1HG GLN 30 2.432 2.595 -3.627
198 HG3 GLN 30 2HG GLN 30 1.029 3.640 -3.845
199 HE21 GLN 30 1HE2 GLN 30 0.265 3.293 -5.804
200 HE22 GLN 30 2HE2 GLN 30 1.192 3.233 -7.260
201 H LYS 31 H LYS 31 2.866 6.699 -1.017
202 HA LYS 31 HA LYS 31 5.251 8.053 -1.552
203 HB2 LYS 31 1HB LYS 31 3.378 8.549 0.768
204 HB3 LYS 31 2HB LYS 31 4.503 9.702 0.062
205 HG2 LYS 31 1HG LYS 31 3.236 9.869 -1.925
206 HG3 LYS 31 2HG LYS 31 2.250 8.469 -1.496
207 HD2 LYS 31 1HD LYS 31 0.818 10.159 -0.918
208 HD3 LYS 31 2HD LYS 31 1.675 9.948 0.611
209 HE2 LYS 31 1HE LYS 31 2.771 11.861 -1.391
210 HE3 LYS 31 2HE LYS 31 1.345 12.333 -0.467
211 HZ1 LYS 31 3HZ LYS 31 3.660 12.895 0.453
212 HZ2 LYS 31 1HZ LYS 31 3.726 11.266 0.904
213 HZ3 LYS 31 2HZ LYS 31 2.504 12.264 1.514
214 H MET 32 H MET 32 4.281 6.095 1.217
215 HA MET 32 HA MET 32 6.365 6.693 2.959
216 HB2 MET 32 1HB MET 32 4.738 4.192 2.551
217 HB3 MET 32 2HB MET 32 5.967 4.303 3.804
218 HG2 MET 32 1HG MET 32 4.777 6.280 4.716
219 HG3 MET 32 2HG MET 32 3.503 6.005 3.530
220 HE1 MET 32 3HE MET 32 2.386 6.409 5.764
221 HE2 MET 32 1HE MET 32 1.231 5.123 5.415
222 HE3 MET 32 2HE MET 32 2.053 5.169 6.974
223 H HIS 33 H HIS 33 6.497 5.177 -0.057
224 HA HIS 33 HA HIS 33 8.993 3.774 0.553
225 HB2 HIS 33 1HB HIS 33 7.189 3.741 -1.869
226 HB3 HIS 33 2HB HIS 33 8.747 2.921 -1.814
227 HD1 HIS 33 HD1 HIS 33 8.732 1.482 0.783
228 HD2 HIS 33 HD2 HIS 33 5.321 1.821 -1.565
229 HE1 HIS 33 HE1 HIS 33 7.240 -0.417 1.487
230 H THR 34 H THR 34 7.703 6.442 -1.322
231 HA THR 34 HA THR 34 10.265 6.988 -2.571
232 HB THR 34 HB THR 34 7.903 7.366 -3.612
233 HG1 THR 34 HG1 THR 34 9.212 8.244 -5.012
234 HG21 THR 34 3HG2 THR 34 7.501 8.974 -1.505
235 HG22 THR 34 1HG2 THR 34 6.717 9.226 -3.064
236 HG23 THR 34 2HG2 THR 34 8.158 10.152 -2.642
237 H VAL 35 H VAL 35 9.895 7.152 0.384
238 HA VAL 35 HA VAL 35 10.239 10.000 0.916
239 HB VAL 35 HB VAL 35 10.095 9.489 3.227
240 HG11 VAL 35 1HG1 VAL 35 8.190 7.473 2.114
241 HG12 VAL 35 2HG1 VAL 35 7.933 8.684 3.371
242 HG13 VAL 35 3HG1 VAL 35 8.028 9.174 1.679
243 HG21 VAL 35 3HG2 VAL 35 9.927 7.028 3.935
244 HG22 VAL 35 1HG2 VAL 35 10.664 6.670 2.373
245 HG23 VAL 35 2HG2 VAL 35 11.524 7.666 3.547
246 H LYS 36 H LYS 36 12.064 10.768 2.170
247 HA LYS 36 HA LYS 36 14.504 9.170 1.750
248 HB2 LYS 36 1HB LYS 36 14.215 11.171 0.208
249 HB3 LYS 36 2HB LYS 36 14.389 12.182 1.637
250 HG2 LYS 36 1HG LYS 36 16.542 12.176 0.928
251 HG3 LYS 36 2HG LYS 36 16.582 10.736 1.947
252 HD2 LYS 36 1HD LYS 36 17.533 9.879 0.058
253 HD3 LYS 36 2HD LYS 36 15.835 9.570 -0.314
254 HE2 LYS 36 1HE LYS 36 16.986 12.189 -1.117
255 HE3 LYS 36 2HE LYS 36 17.466 10.763 -2.035
256 HZ1 LYS 36 3HZ LYS 36 14.673 11.662 -1.570
257 HZ2 LYS 36 1HZ LYS 36 15.131 10.288 -2.445
258 HZ3 LYS 36 2HZ LYS 36 15.538 11.828 -3.015
259 H SER 37 H SER 37 13.118 8.948 4.098
260 HA SER 37 HA SER 37 14.520 10.680 6.009
261 HB2 SER 37 1HB SER 37 12.026 10.478 6.165
262 HB3 SER 37 2HB SER 37 12.236 8.769 6.549
263 HG SER 37 HG SER 37 13.467 9.433 8.377
264 H GLY 38 H GLY 38 15.997 8.668 4.682
265 HA2 GLY 38 1HA GLY 38 17.577 7.568 6.544
266 HA3 GLY 38 2HA GLY 38 16.238 6.430 6.520
267 HA PRO 39 HA PRO 39 18.303 4.284 3.290
268 HB2 PRO 39 1HB PRO 39 16.189 2.954 2.225
269 HB3 PRO 39 2HB PRO 39 16.915 2.518 3.777
270 HG2 PRO 39 1HG PRO 39 14.454 4.130 3.224
271 HG3 PRO 39 2HG PRO 39 14.716 2.869 4.443
272 HD2 PRO 39 1HD PRO 39 14.803 5.510 5.036
273 HD3 PRO 39 2HD PRO 39 15.800 4.308 5.880
274 H SER 40 H SER 40 18.274 3.981 0.929
275 HA SER 40 HA SER 40 17.422 6.434 -0.388
276 HB2 SER 40 1HB SER 40 18.923 5.842 -2.152
277 HB3 SER 40 2HB SER 40 19.753 5.470 -0.641
278 HG SER 40 HG SER 40 18.735 3.267 -1.040
279 H SER 41 H SER 41 16.195 6.477 -2.304
280 HA SER 41 HA SER 41 14.748 4.014 -2.979
281 HB2 SER 41 1HB SER 41 13.543 6.673 -2.228
282 HB3 SER 41 2HB SER 41 12.662 5.499 -3.206
283 HG SER 41 HG SER 41 12.681 5.547 -0.657
284 H GLY 42 H GLY 42 15.121 3.629 -5.055
285 HA2 GLY 42 1HA GLY 42 15.806 4.051 -7.238
286 HA3 GLY 42 2HA GLY 42 14.308 4.970 -7.222
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -5.788 -27.672 4.902
2 HA2 GLY 1 1HA GLY 1 -6.063 -25.912 3.257
3 HA3 GLY 1 2HA GLY 1 -7.589 -26.775 3.377
4 H SER 2 H SER 2 -6.116 -23.778 3.514
5 HA SER 2 HA SER 2 -8.060 -22.545 5.280
6 HB2 SER 2 1HB SER 2 -5.643 -21.817 5.149
7 HB3 SER 2 2HB SER 2 -6.000 -21.163 3.551
8 HG SER 2 HG SER 2 -7.242 -20.416 5.993
9 H SER 3 H SER 3 -10.035 -22.136 4.559
10 HA SER 3 HA SER 3 -10.376 -21.360 1.738
11 HB2 SER 3 1HB SER 3 -12.105 -22.924 3.624
12 HB3 SER 3 2HB SER 3 -12.848 -22.040 2.291
13 HG SER 3 HG SER 3 -12.350 -24.143 1.642
14 H GLY 4 H GLY 4 -10.330 -19.181 1.727
15 HA2 GLY 4 1HA GLY 4 -12.533 -17.771 2.916
16 HA3 GLY 4 2HA GLY 4 -10.997 -17.392 3.681
17 H SER 5 H SER 5 -10.011 -15.660 2.910
18 HA SER 5 HA SER 5 -10.847 -14.533 0.375
19 HB2 SER 5 1HB SER 5 -9.515 -12.592 1.022
20 HB3 SER 5 2HB SER 5 -10.541 -13.090 2.367
21 HG SER 5 HG SER 5 -8.143 -12.631 2.692
22 H SER 6 H SER 6 -9.868 -14.945 -1.481
23 HA SER 6 HA SER 6 -7.558 -16.540 -1.701
24 HB2 SER 6 1HB SER 6 -9.265 -16.402 -3.472
25 HB3 SER 6 2HB SER 6 -8.811 -14.725 -3.778
26 HG SER 6 HG SER 6 -7.363 -15.508 -5.068
27 H GLY 7 H GLY 7 -7.995 -13.085 -2.500
28 HA2 GLY 7 1HA GLY 7 -6.366 -11.487 -1.607
29 HA3 GLY 7 2HA GLY 7 -5.131 -12.707 -1.877
30 H GLU 8 H GLU 8 -7.722 -11.275 -3.869
31 HA GLU 8 HA GLU 8 -5.674 -10.703 -5.911
32 HB2 GLU 8 1HB GLU 8 -8.572 -11.443 -6.357
33 HB3 GLU 8 2HB GLU 8 -7.411 -11.047 -7.616
34 HG2 GLU 8 1HG GLU 8 -6.102 -12.998 -7.088
35 HG3 GLU 8 2HG GLU 8 -7.151 -13.369 -5.721
36 H LYS 9 H LYS 9 -6.266 -8.876 -3.899
37 HA LYS 9 HA LYS 9 -8.252 -7.019 -4.349
38 HB2 LYS 9 1HB LYS 9 -5.486 -6.826 -3.224
39 HB3 LYS 9 2HB LYS 9 -6.416 -5.354 -3.474
40 HG2 LYS 9 1HG LYS 9 -7.469 -7.689 -1.906
41 HG3 LYS 9 2HG LYS 9 -6.532 -6.384 -1.174
42 HD2 LYS 9 1HD LYS 9 -8.187 -4.759 -1.921
43 HD3 LYS 9 2HD LYS 9 -9.109 -6.041 -2.709
44 HE2 LYS 9 1HE LYS 9 -8.481 -6.336 0.182
45 HE3 LYS 9 2HE LYS 9 -9.714 -5.164 -0.283
46 HZ1 LYS 9 3HZ LYS 9 -11.079 -6.912 -0.238
47 HZ2 LYS 9 1HZ LYS 9 -9.819 -8.041 -0.294
48 HZ3 LYS 9 2HZ LYS 9 -10.393 -7.342 -1.723
49 HA PRO 10 HA PRO 10 -7.366 -5.071 -8.189
50 HB2 PRO 10 1HB PRO 10 -8.462 -2.627 -7.741
51 HB3 PRO 10 2HB PRO 10 -9.431 -4.081 -8.005
52 HG2 PRO 10 1HG PRO 10 -8.702 -2.732 -5.435
53 HG3 PRO 10 2HG PRO 10 -10.261 -3.410 -5.939
54 HD2 PRO 10 1HD PRO 10 -8.566 -4.724 -4.286
55 HD3 PRO 10 2HD PRO 10 -9.628 -5.568 -5.431
56 H TYR 11 H TYR 11 -6.172 -3.819 -5.202
57 HA TYR 11 HA TYR 11 -4.218 -2.169 -6.668
58 HB2 TYR 11 1HB TYR 11 -5.150 -1.789 -3.816
59 HB3 TYR 11 2HB TYR 11 -4.044 -0.747 -4.704
60 HD1 TYR 11 HD1 TYR 11 -4.919 0.543 -6.686
61 HD2 TYR 11 HD2 TYR 11 -7.486 -1.497 -3.975
62 HE1 TYR 11 HE1 TYR 11 -6.817 1.892 -7.478
63 HE2 TYR 11 HE2 TYR 11 -9.392 -0.155 -4.760
64 HH TYR 11 HH TYR 11 -8.958 2.506 -7.020
65 H SER 12 H SER 12 -2.190 -2.852 -6.596
66 HA SER 12 HA SER 12 -1.234 -4.305 -4.242
67 HB2 SER 12 1HB SER 12 -0.254 -6.077 -5.550
68 HB3 SER 12 2HB SER 12 -1.962 -5.971 -5.973
69 HG SER 12 HG SER 12 -0.868 -4.390 -7.654
70 H CYS 13 H CYS 13 0.562 -3.376 -3.545
71 HA CYS 13 HA CYS 13 1.946 -1.400 -5.033
72 HB2 CYS 13 1HB CYS 13 1.739 -1.656 -2.473
73 HB3 CYS 13 2HB CYS 13 3.077 -2.791 -2.616
74 H ALA 14 H ALA 14 3.571 -1.579 -6.429
75 HA ALA 14 HA ALA 14 4.650 -4.198 -7.027
76 HB1 ALA 14 3HB ALA 14 5.760 -3.055 -8.907
77 HB2 ALA 14 1HB ALA 14 4.020 -2.764 -8.870
78 HB3 ALA 14 2HB ALA 14 5.136 -1.515 -8.315
79 H GLU 15 H GLU 15 5.337 -2.714 -4.498
80 HA GLU 15 HA GLU 15 8.263 -2.837 -4.811
81 HB2 GLU 15 1HB GLU 15 6.613 -0.861 -3.244
82 HB3 GLU 15 2HB GLU 15 8.320 -1.125 -2.916
83 HG2 GLU 15 1HG GLU 15 8.713 -0.601 -5.370
84 HG3 GLU 15 2HG GLU 15 7.051 -0.016 -5.396
85 H CYS 16 H CYS 16 5.770 -2.746 -2.258
86 HA CYS 16 HA CYS 16 7.321 -4.732 -0.758
87 HB2 CYS 16 1HB CYS 16 5.921 -4.099 1.162
88 HB3 CYS 16 2HB CYS 16 6.722 -2.697 0.461
89 H LYS 17 H LYS 17 4.847 -4.644 -2.931
90 HA LYS 17 HA LYS 17 3.266 -6.135 -3.600
91 HB2 LYS 17 1HB LYS 17 5.083 -7.795 -1.920
92 HB3 LYS 17 2HB LYS 17 3.534 -8.487 -2.382
93 HG2 LYS 17 1HG LYS 17 5.389 -7.291 -4.411
94 HG3 LYS 17 2HG LYS 17 5.545 -8.965 -3.874
95 HD2 LYS 17 1HD LYS 17 3.558 -9.603 -4.844
96 HD3 LYS 17 2HD LYS 17 2.876 -7.976 -4.767
97 HE2 LYS 17 1HE LYS 17 3.299 -8.167 -7.016
98 HE3 LYS 17 2HE LYS 17 4.795 -7.420 -6.458
99 HZ1 LYS 17 3HZ LYS 17 4.320 -10.226 -7.240
100 HZ2 LYS 17 1HZ LYS 17 5.630 -9.810 -6.254
101 HZ3 LYS 17 2HZ LYS 17 5.498 -9.153 -7.807
102 H GLU 18 H GLU 18 2.480 -4.337 -1.657
103 HA GLU 18 HA GLU 18 0.887 -5.882 0.255
104 HB2 GLU 18 1HB GLU 18 2.256 -3.933 1.040
105 HB3 GLU 18 2HB GLU 18 1.219 -2.885 0.082
106 HG2 GLU 18 1HG GLU 18 0.519 -2.836 2.378
107 HG3 GLU 18 2HG GLU 18 -0.717 -3.628 1.403
108 H THR 19 H THR 19 -1.294 -5.989 0.187
109 HA THR 19 HA THR 19 -2.589 -4.922 -2.206
110 HB THR 19 HB THR 19 -4.497 -6.405 -1.530
111 HG1 THR 19 HG1 THR 19 -3.578 -8.102 0.059
112 HG21 THR 19 3HG2 THR 19 -1.793 -7.703 -1.883
113 HG22 THR 19 1HG2 THR 19 -2.887 -7.183 -3.165
114 HG23 THR 19 2HG2 THR 19 -3.341 -8.518 -2.105
115 H PHE 20 H PHE 20 -4.317 -3.541 -2.168
116 HA PHE 20 HA PHE 20 -5.198 -2.553 0.458
117 HB2 PHE 20 1HB PHE 20 -4.560 -0.842 -1.954
118 HB3 PHE 20 2HB PHE 20 -5.220 -0.258 -0.430
119 HD1 PHE 20 HD2 PHE 20 -2.249 -1.648 -2.081
120 HD2 PHE 20 HD1 PHE 20 -3.835 0.047 1.487
121 HE1 PHE 20 HE2 PHE 20 0.034 -1.349 -1.213
122 HE2 PHE 20 HE1 PHE 20 -1.554 0.349 2.360
123 HZ PHE 20 HZ PHE 20 0.383 -0.350 1.011
124 H SER 21 H SER 21 -7.337 -1.899 0.607
125 HA SER 21 HA SER 21 -9.114 -3.093 -1.310
126 HB2 SER 21 1HB SER 21 -9.622 -3.196 1.086
127 HB3 SER 21 2HB SER 21 -9.707 -1.435 1.155
128 HG SER 21 HG SER 21 -11.563 -3.250 0.276
129 H ASP 22 H ASP 22 -8.188 0.174 -0.375
130 HA ASP 22 HA ASP 22 -9.780 1.205 -2.631
131 HB2 ASP 22 1HB ASP 22 -10.307 1.938 -0.185
132 HB3 ASP 22 2HB ASP 22 -8.865 2.935 -0.356
133 H ASN 23 H ASN 23 -8.867 3.233 -3.602
134 HA ASN 23 HA ASN 23 -6.138 2.758 -4.342
135 HB2 ASN 23 1HB ASN 23 -7.267 3.570 -6.164
136 HB3 ASN 23 2HB ASN 23 -8.304 4.611 -5.193
137 HD21 ASN 23 1HD2 ASN 23 -5.388 4.351 -6.977
138 HD22 ASN 23 2HD2 ASN 23 -4.890 5.999 -6.829
139 H ASN 24 H ASN 24 -7.840 5.416 -2.695
140 HA ASN 24 HA ASN 24 -5.898 7.217 -2.230
141 HB2 ASN 24 1HB ASN 24 -8.247 7.284 -1.330
142 HB3 ASN 24 2HB ASN 24 -7.714 6.232 -0.022
143 HD21 ASN 24 1HD2 ASN 24 -5.732 7.058 1.156
144 HD22 ASN 24 2HD2 ASN 24 -5.712 8.745 1.531
145 H ARG 25 H ARG 25 -6.454 4.442 -0.052
146 HA ARG 25 HA ARG 25 -4.304 4.776 1.629
147 HB2 ARG 25 1HB ARG 25 -5.534 2.211 0.613
148 HB3 ARG 25 2HB ARG 25 -4.387 2.288 1.944
149 HG2 ARG 25 1HG ARG 25 -6.005 3.858 3.081
150 HG3 ARG 25 2HG ARG 25 -7.167 3.414 1.830
151 HD2 ARG 25 1HD ARG 25 -6.634 0.986 2.503
152 HD3 ARG 25 2HD ARG 25 -5.938 1.697 3.958
153 HE ARG 25 HE ARG 25 -8.712 1.398 3.351
154 HH11 ARG 25 1HH1 ARG 25 -6.400 3.379 5.038
155 HH12 ARG 25 2HH1 ARG 25 -7.549 3.965 6.195
156 HH21 ARG 25 1HH2 ARG 25 -10.235 2.162 4.867
157 HH22 ARG 25 2HH2 ARG 25 -9.731 3.271 6.097
158 H LEU 26 H LEU 26 -4.376 3.058 -1.476
159 HA LEU 26 HA LEU 26 -1.700 2.184 -1.427
160 HB2 LEU 26 1HB LEU 26 -3.309 1.203 -2.927
161 HB3 LEU 26 2HB LEU 26 -3.550 2.749 -3.737
162 HG LEU 26 HG LEU 26 -1.049 2.558 -4.356
163 HD11 LEU 26 1HD1 LEU 26 -1.392 0.159 -2.881
164 HD12 LEU 26 2HD1 LEU 26 0.053 0.755 -3.696
165 HD13 LEU 26 3HD1 LEU 26 -1.090 -0.269 -4.565
166 HD21 LEU 26 3HD2 LEU 26 -1.776 0.818 -6.200
167 HD22 LEU 26 1HD2 LEU 26 -2.435 2.454 -6.170
168 HD23 LEU 26 2HD2 LEU 26 -3.376 1.113 -5.517
169 H VAL 27 H VAL 27 -3.155 4.917 -3.201
170 HA VAL 27 HA VAL 27 -0.875 6.020 -4.271
171 HB VAL 27 HB VAL 27 -3.270 7.503 -3.178
172 HG11 VAL 27 1HG1 VAL 27 -2.066 9.338 -3.587
173 HG12 VAL 27 2HG1 VAL 27 -0.813 8.428 -4.432
174 HG13 VAL 27 3HG1 VAL 27 -2.261 8.949 -5.295
175 HG21 VAL 27 3HG2 VAL 27 -3.074 5.697 -5.302
176 HG22 VAL 27 1HG2 VAL 27 -4.401 6.808 -4.962
177 HG23 VAL 27 2HG2 VAL 27 -3.099 7.295 -6.047
178 H GLN 28 H GLN 28 -2.344 6.869 -1.134
179 HA GLN 28 HA GLN 28 -0.310 8.643 -0.338
180 HB2 GLN 28 1HB GLN 28 -2.275 7.037 1.299
181 HB3 GLN 28 2HB GLN 28 -1.232 8.287 1.965
182 HG2 GLN 28 1HG GLN 28 -3.005 8.951 -0.332
183 HG3 GLN 28 2HG GLN 28 -3.697 8.816 1.283
184 HE21 GLN 28 1HE2 GLN 28 -3.208 11.111 -0.601
185 HE22 GLN 28 2HE2 GLN 28 -2.387 12.287 0.361
186 H HIS 29 H HIS 29 -0.734 5.174 0.124
187 HA HIS 29 HA HIS 29 1.331 4.738 1.960
188 HB2 HIS 29 1HB HIS 29 -0.122 2.930 1.651
189 HB3 HIS 29 2HB HIS 29 0.004 3.005 -0.104
190 HD1 HIS 29 HD1 HIS 29 2.215 2.141 2.867
191 HD2 HIS 29 HD2 HIS 29 1.718 1.186 -1.146
192 HE1 HIS 29 HE1 HIS 29 3.855 0.291 2.408
193 H GLN 30 H GLN 30 1.370 4.644 -1.592
194 HA GLN 30 HA GLN 30 3.997 3.867 -1.986
195 HB2 GLN 30 1HB GLN 30 2.277 5.746 -3.608
196 HB3 GLN 30 2HB GLN 30 3.833 5.134 -4.154
197 HG2 GLN 30 1HG GLN 30 2.965 2.842 -4.001
198 HG3 GLN 30 2HG GLN 30 1.399 3.485 -3.510
199 HE21 GLN 30 1HE2 GLN 30 1.517 1.879 -5.669
200 HE22 GLN 30 2HE2 GLN 30 1.259 2.786 -7.116
201 H LYS 31 H LYS 31 2.706 6.987 -1.081
202 HA LYS 31 HA LYS 31 5.039 8.512 -1.591
203 HB2 LYS 31 1HB LYS 31 2.698 8.972 0.261
204 HB3 LYS 31 2HB LYS 31 3.978 10.151 0.008
205 HG2 LYS 31 1HG LYS 31 3.352 9.826 -2.516
206 HG3 LYS 31 2HG LYS 31 1.821 9.265 -1.839
207 HD2 LYS 31 1HD LYS 31 1.626 11.371 -0.583
208 HD3 LYS 31 2HD LYS 31 3.136 11.930 -1.307
209 HE2 LYS 31 1HE LYS 31 2.131 11.816 -3.521
210 HE3 LYS 31 2HE LYS 31 0.634 11.198 -2.826
211 HZ1 LYS 31 3HZ LYS 31 1.221 13.540 -1.473
212 HZ2 LYS 31 1HZ LYS 31 -0.019 13.286 -2.595
213 HZ3 LYS 31 2HZ LYS 31 1.479 13.878 -3.111
214 H MET 32 H MET 32 4.051 6.455 1.028
215 HA MET 32 HA MET 32 5.900 7.463 2.956
216 HB2 MET 32 1HB MET 32 4.150 6.336 3.961
217 HB3 MET 32 2HB MET 32 4.132 5.064 2.747
218 HG2 MET 32 1HG MET 32 4.903 4.113 4.776
219 HG3 MET 32 2HG MET 32 6.284 4.236 3.688
220 HE1 MET 32 3HE MET 32 5.959 4.607 7.566
221 HE2 MET 32 1HE MET 32 5.409 6.283 7.585
222 HE3 MET 32 2HE MET 32 4.503 5.068 6.683
223 H HIS 33 H HIS 33 6.072 5.192 0.346
224 HA HIS 33 HA HIS 33 8.327 3.718 1.200
225 HB2 HIS 33 1HB HIS 33 6.908 4.144 -1.380
226 HB3 HIS 33 2HB HIS 33 8.549 3.509 -1.456
227 HD1 HIS 33 HD1 HIS 33 8.945 1.215 -0.116
228 HD2 HIS 33 HD2 HIS 33 4.988 2.302 -0.763
229 HE1 HIS 33 HE1 HIS 33 7.601 -0.874 0.276
230 H THR 34 H THR 34 7.961 6.742 -0.555
231 HA THR 34 HA THR 34 10.479 7.133 -1.577
232 HB THR 34 HB THR 34 10.103 9.530 -1.399
233 HG1 THR 34 HG1 THR 34 7.925 9.992 -0.263
234 HG21 THR 34 3HG2 THR 34 8.866 8.794 -3.187
235 HG22 THR 34 1HG2 THR 34 7.585 9.490 -2.194
236 HG23 THR 34 2HG2 THR 34 7.853 7.746 -2.194
237 H VAL 35 H VAL 35 12.356 6.787 -0.580
238 HA VAL 35 HA VAL 35 12.741 7.957 2.098
239 HB VAL 35 HB VAL 35 12.639 5.519 2.279
240 HG11 VAL 35 1HG1 VAL 35 14.146 4.062 1.158
241 HG12 VAL 35 2HG1 VAL 35 13.436 5.109 -0.072
242 HG13 VAL 35 3HG1 VAL 35 15.073 5.414 0.509
243 HG21 VAL 35 3HG2 VAL 35 15.392 5.513 2.826
244 HG22 VAL 35 1HG2 VAL 35 14.847 7.172 3.070
245 HG23 VAL 35 2HG2 VAL 35 14.072 5.852 3.946
246 H LYS 36 H LYS 36 14.225 9.498 2.103
247 HA LYS 36 HA LYS 36 16.322 9.447 0.035
248 HB2 LYS 36 1HB LYS 36 16.450 11.874 0.272
249 HB3 LYS 36 2HB LYS 36 14.812 11.375 -0.128
250 HG2 LYS 36 1HG LYS 36 14.450 11.443 2.446
251 HG3 LYS 36 2HG LYS 36 15.886 12.470 2.430
252 HD2 LYS 36 1HD LYS 36 14.023 13.927 2.299
253 HD3 LYS 36 2HD LYS 36 14.718 13.865 0.678
254 HE2 LYS 36 1HE LYS 36 12.993 12.497 -0.128
255 HE3 LYS 36 2HE LYS 36 12.469 12.053 1.496
256 HZ1 LYS 36 3HZ LYS 36 11.843 14.417 -0.073
257 HZ2 LYS 36 1HZ LYS 36 12.113 14.681 1.576
258 HZ3 LYS 36 2HZ LYS 36 10.909 13.602 1.079
259 H SER 37 H SER 37 18.455 9.890 0.605
260 HA SER 37 HA SER 37 19.112 9.243 3.358
261 HB2 SER 37 1HB SER 37 20.814 9.581 0.881
262 HB3 SER 37 2HB SER 37 21.473 9.205 2.473
263 HG SER 37 HG SER 37 21.148 7.295 1.346
264 H GLY 38 H GLY 38 19.926 11.819 1.030
265 HA2 GLY 38 1HA GLY 38 20.012 13.726 3.243
266 HA3 GLY 38 2HA GLY 38 21.490 13.520 2.314
267 HA PRO 39 HA PRO 39 19.134 16.939 0.322
268 HB2 PRO 39 1HB PRO 39 21.332 18.453 -0.177
269 HB3 PRO 39 2HB PRO 39 20.466 18.496 1.363
270 HG2 PRO 39 1HG PRO 39 22.972 17.027 0.640
271 HG3 PRO 39 2HG PRO 39 22.597 17.943 2.111
272 HD2 PRO 39 1HD PRO 39 22.464 15.240 2.003
273 HD3 PRO 39 2HD PRO 39 21.390 16.209 3.033
274 H SER 40 H SER 40 18.599 16.640 -1.739
275 HA SER 40 HA SER 40 20.595 16.459 -3.800
276 HB2 SER 40 1HB SER 40 18.999 14.058 -2.978
277 HB3 SER 40 2HB SER 40 19.423 14.278 -4.675
278 HG SER 40 HG SER 40 21.459 14.604 -2.808
279 H SER 41 H SER 41 19.740 16.753 -5.900
280 HA SER 41 HA SER 41 16.876 17.132 -6.198
281 HB2 SER 41 1HB SER 41 18.855 19.400 -6.483
282 HB3 SER 41 2HB SER 41 17.216 19.450 -7.130
283 HG SER 41 HG SER 41 16.484 19.082 -4.956
284 H GLY 42 H GLY 42 16.208 17.353 -8.408
285 HA2 GLY 42 1HA GLY 42 17.884 15.856 -10.201
286 HA3 GLY 42 2HA GLY 42 16.278 16.480 -10.548
Start of MODEL 17
1 H1 GLY 1 H GLY 1 3.478 -25.541 7.085
2 HA2 GLY 1 1HA GLY 1 2.778 -24.006 8.870
3 HA3 GLY 1 2HA GLY 1 4.007 -23.239 7.874
4 H SER 2 H SER 2 3.153 -21.197 8.534
5 HA SER 2 HA SER 2 0.594 -20.511 7.244
6 HB2 SER 2 1HB SER 2 0.807 -20.266 9.785
7 HB3 SER 2 2HB SER 2 1.902 -18.924 9.452
8 HG SER 2 HG SER 2 -0.639 -19.026 8.245
9 H SER 3 H SER 3 0.494 -18.805 5.854
10 HA SER 3 HA SER 3 3.073 -17.630 5.076
11 HB2 SER 3 1HB SER 3 0.554 -18.247 3.569
12 HB3 SER 3 2HB SER 3 1.645 -16.997 2.973
13 HG SER 3 HG SER 3 2.329 -18.862 2.045
14 H GLY 4 H GLY 4 -0.334 -16.804 5.639
15 HA2 GLY 4 1HA GLY 4 -1.026 -14.865 6.812
16 HA3 GLY 4 2HA GLY 4 0.524 -14.122 6.447
17 H SER 5 H SER 5 -1.930 -15.635 4.361
18 HA SER 5 HA SER 5 -1.918 -13.180 2.742
19 HB2 SER 5 1HB SER 5 -2.558 -16.049 2.050
20 HB3 SER 5 2HB SER 5 -2.944 -14.705 0.975
21 HG SER 5 HG SER 5 -0.496 -14.271 1.553
22 H SER 6 H SER 6 -3.590 -11.877 3.026
23 HA SER 6 HA SER 6 -6.140 -13.011 3.946
24 HB2 SER 6 1HB SER 6 -4.804 -10.364 4.306
25 HB3 SER 6 2HB SER 6 -6.567 -10.417 4.310
26 HG SER 6 HG SER 6 -6.467 -11.905 6.010
27 H GLY 7 H GLY 7 -6.788 -13.715 1.852
28 HA2 GLY 7 1HA GLY 7 -7.842 -13.504 -0.177
29 HA3 GLY 7 2HA GLY 7 -8.490 -12.010 0.483
30 H GLU 8 H GLU 8 -8.381 -11.354 -1.811
31 HA GLU 8 HA GLU 8 -5.718 -10.256 -2.420
32 HB2 GLU 8 1HB GLU 8 -6.218 -10.574 -4.831
33 HB3 GLU 8 2HB GLU 8 -6.079 -12.087 -3.947
34 HG2 GLU 8 1HG GLU 8 -8.531 -12.219 -3.830
35 HG3 GLU 8 2HG GLU 8 -8.636 -10.739 -4.781
36 H LYS 9 H LYS 9 -5.790 -8.355 -3.862
37 HA LYS 9 HA LYS 9 -8.324 -6.897 -3.839
38 HB2 LYS 9 1HB LYS 9 -5.747 -5.745 -2.755
39 HB3 LYS 9 2HB LYS 9 -7.273 -4.886 -2.922
40 HG2 LYS 9 1HG LYS 9 -6.920 -7.323 -1.195
41 HG3 LYS 9 2HG LYS 9 -6.732 -5.669 -0.609
42 HD2 LYS 9 1HD LYS 9 -9.071 -5.241 -1.494
43 HD3 LYS 9 2HD LYS 9 -9.211 -6.990 -1.693
44 HE2 LYS 9 1HE LYS 9 -8.476 -7.089 0.784
45 HE3 LYS 9 2HE LYS 9 -8.932 -5.387 0.824
46 HZ1 LYS 9 3HZ LYS 9 -11.119 -5.871 0.625
47 HZ2 LYS 9 1HZ LYS 9 -10.636 -7.320 1.353
48 HZ3 LYS 9 2HZ LYS 9 -10.862 -7.250 -0.321
49 HA PRO 10 HA PRO 10 -7.081 -5.605 -7.848
50 HB2 PRO 10 1HB PRO 10 -8.380 -3.229 -8.035
51 HB3 PRO 10 2HB PRO 10 -9.212 -4.786 -8.105
52 HG2 PRO 10 1HG PRO 10 -8.909 -2.903 -5.798
53 HG3 PRO 10 2HG PRO 10 -10.342 -3.803 -6.327
54 HD2 PRO 10 1HD PRO 10 -8.794 -4.615 -4.259
55 HD3 PRO 10 2HD PRO 10 -9.643 -5.756 -5.321
56 H TYR 11 H TYR 11 -6.175 -3.915 -5.047
57 HA TYR 11 HA TYR 11 -4.336 -2.211 -6.596
58 HB2 TYR 11 1HB TYR 11 -5.472 -1.748 -3.831
59 HB3 TYR 11 2HB TYR 11 -4.288 -0.714 -4.623
60 HD1 TYR 11 HD1 TYR 11 -4.959 0.457 -6.771
61 HD2 TYR 11 HD2 TYR 11 -7.773 -1.466 -4.224
62 HE1 TYR 11 HE1 TYR 11 -6.776 1.744 -7.816
63 HE2 TYR 11 HE2 TYR 11 -9.598 -0.185 -5.263
64 HH TYR 11 HH TYR 11 -8.952 2.350 -7.621
65 H SER 12 H SER 12 -2.445 -3.257 -6.675
66 HA SER 12 HA SER 12 -1.322 -4.242 -4.136
67 HB2 SER 12 1HB SER 12 -0.819 -5.461 -6.859
68 HB3 SER 12 2HB SER 12 -0.258 -6.071 -5.302
69 HG SER 12 HG SER 12 -2.218 -6.810 -4.861
70 H CYS 13 H CYS 13 0.606 -3.442 -3.593
71 HA CYS 13 HA CYS 13 1.838 -1.462 -5.275
72 HB2 CYS 13 1HB CYS 13 1.674 -1.278 -2.778
73 HB3 CYS 13 2HB CYS 13 2.850 -2.582 -2.656
74 H ALA 14 H ALA 14 3.470 -1.735 -6.649
75 HA ALA 14 HA ALA 14 4.636 -4.365 -6.965
76 HB1 ALA 14 3HB ALA 14 5.654 -2.148 -8.613
77 HB2 ALA 14 1HB ALA 14 5.103 -3.756 -9.083
78 HB3 ALA 14 2HB ALA 14 3.928 -2.480 -8.758
79 H GLU 15 H GLU 15 5.274 -2.589 -4.617
80 HA GLU 15 HA GLU 15 8.202 -2.590 -4.951
81 HB2 GLU 15 1HB GLU 15 7.523 -0.303 -4.798
82 HB3 GLU 15 2HB GLU 15 6.458 -0.646 -3.442
83 HG2 GLU 15 1HG GLU 15 8.199 0.251 -2.311
84 HG3 GLU 15 2HG GLU 15 8.723 -1.432 -2.330
85 H CYS 16 H CYS 16 5.649 -2.641 -2.461
86 HA CYS 16 HA CYS 16 7.361 -4.417 -0.857
87 HB2 CYS 16 1HB CYS 16 5.986 -3.733 1.068
88 HB3 CYS 16 2HB CYS 16 6.734 -2.347 0.281
89 H LYS 17 H LYS 17 4.798 -4.499 -2.940
90 HA LYS 17 HA LYS 17 3.252 -6.074 -3.487
91 HB2 LYS 17 1HB LYS 17 5.180 -7.598 -1.800
92 HB3 LYS 17 2HB LYS 17 3.642 -8.360 -2.184
93 HG2 LYS 17 1HG LYS 17 5.461 -7.214 -4.282
94 HG3 LYS 17 2HG LYS 17 5.562 -8.886 -3.725
95 HD2 LYS 17 1HD LYS 17 3.358 -9.359 -4.493
96 HD3 LYS 17 2HD LYS 17 3.031 -7.651 -4.797
97 HE2 LYS 17 1HE LYS 17 4.320 -7.609 -6.708
98 HE3 LYS 17 2HE LYS 17 5.305 -8.980 -6.201
99 HZ1 LYS 17 3HZ LYS 17 4.026 -10.043 -7.701
100 HZ2 LYS 17 1HZ LYS 17 2.747 -8.942 -7.582
101 HZ3 LYS 17 2HZ LYS 17 2.935 -10.148 -6.412
102 H GLU 18 H GLU 18 2.367 -4.235 -1.710
103 HA GLU 18 HA GLU 18 0.923 -5.742 0.357
104 HB2 GLU 18 1HB GLU 18 2.285 -3.689 0.969
105 HB3 GLU 18 2HB GLU 18 1.093 -2.742 0.090
106 HG2 GLU 18 1HG GLU 18 0.261 -2.567 2.197
107 HG3 GLU 18 2HG GLU 18 -0.592 -4.011 1.655
108 H THR 19 H THR 19 -1.263 -5.878 0.377
109 HA THR 19 HA THR 19 -2.649 -4.994 -2.035
110 HB THR 19 HB THR 19 -4.537 -6.407 -1.125
111 HG1 THR 19 HG1 THR 19 -2.673 -7.628 0.581
112 HG21 THR 19 3HG2 THR 19 -2.632 -8.485 -1.242
113 HG22 THR 19 1HG2 THR 19 -2.047 -7.200 -2.298
114 HG23 THR 19 2HG2 THR 19 -3.656 -7.881 -2.544
115 H PHE 20 H PHE 20 -4.430 -3.661 -2.044
116 HA PHE 20 HA PHE 20 -5.277 -2.493 0.508
117 HB2 PHE 20 1HB PHE 20 -4.605 -0.855 -1.945
118 HB3 PHE 20 2HB PHE 20 -5.176 -0.237 -0.399
119 HD1 PHE 20 HD2 PHE 20 -2.332 -1.681 -2.197
120 HD2 PHE 20 HD1 PHE 20 -3.702 -0.048 1.487
121 HE1 PHE 20 HE2 PHE 20 -0.004 -1.469 -1.429
122 HE2 PHE 20 HE1 PHE 20 -1.376 0.168 2.260
123 HZ PHE 20 HZ PHE 20 0.476 -0.544 0.802
124 H SER 21 H SER 21 -7.408 -1.867 0.606
125 HA SER 21 HA SER 21 -9.195 -3.119 -1.205
126 HB2 SER 21 1HB SER 21 -10.961 -1.902 0.115
127 HB3 SER 21 2HB SER 21 -9.859 -2.870 1.094
128 HG SER 21 HG SER 21 -9.718 -1.036 2.151
129 H ASP 22 H ASP 22 -8.508 0.313 -0.546
130 HA ASP 22 HA ASP 22 -9.714 0.965 -3.153
131 HB2 ASP 22 1HB ASP 22 -9.448 2.610 -0.634
132 HB3 ASP 22 2HB ASP 22 -9.911 3.301 -2.187
133 H ASN 23 H ASN 23 -8.757 3.095 -4.059
134 HA ASN 23 HA ASN 23 -5.942 2.630 -4.436
135 HB2 ASN 23 1HB ASN 23 -6.080 4.441 -6.084
136 HB3 ASN 23 2HB ASN 23 -7.375 3.273 -6.326
137 HD21 ASN 23 1HD2 ASN 23 -7.200 6.063 -7.139
138 HD22 ASN 23 2HD2 ASN 23 -8.563 6.854 -6.431
139 H ASN 24 H ASN 24 -7.941 5.209 -3.048
140 HA ASN 24 HA ASN 24 -6.168 7.168 -2.496
141 HB2 ASN 24 1HB ASN 24 -8.449 6.059 -0.905
142 HB3 ASN 24 2HB ASN 24 -7.442 7.318 -0.195
143 HD21 ASN 24 1HD2 ASN 24 -8.215 9.270 -0.455
144 HD22 ASN 24 2HD2 ASN 24 -9.148 9.833 -1.796
145 H ARG 25 H ARG 25 -6.557 4.192 -0.601
146 HA ARG 25 HA ARG 25 -4.621 4.798 1.353
147 HB2 ARG 25 1HB ARG 25 -5.913 2.273 0.389
148 HB3 ARG 25 2HB ARG 25 -4.558 2.183 1.506
149 HG2 ARG 25 1HG ARG 25 -5.803 3.635 3.072
150 HG3 ARG 25 2HG ARG 25 -7.179 3.588 1.968
151 HD2 ARG 25 1HD ARG 25 -7.556 1.318 2.343
152 HD3 ARG 25 2HD ARG 25 -5.935 1.060 2.986
153 HE ARG 25 HE ARG 25 -6.964 2.719 4.804
154 HH11 ARG 25 1HH1 ARG 25 -8.273 -0.145 3.321
155 HH12 ARG 25 2HH1 ARG 25 -9.231 -0.578 4.698
156 HH21 ARG 25 1HH2 ARG 25 -8.221 2.160 6.623
157 HH22 ARG 25 2HH2 ARG 25 -9.202 0.734 6.575
158 H LEU 26 H LEU 26 -4.412 3.121 -1.752
159 HA LEU 26 HA LEU 26 -1.721 2.298 -1.501
160 HB2 LEU 26 1HB LEU 26 -3.336 1.366 -3.124
161 HB3 LEU 26 2HB LEU 26 -3.276 2.885 -4.016
162 HG LEU 26 HG LEU 26 -0.843 2.467 -4.411
163 HD11 LEU 26 1HD1 LEU 26 -0.979 -0.380 -3.974
164 HD12 LEU 26 2HD1 LEU 26 -1.193 0.508 -2.466
165 HD13 LEU 26 3HD1 LEU 26 0.241 0.783 -3.454
166 HD21 LEU 26 3HD2 LEU 26 -1.586 0.202 -5.788
167 HD22 LEU 26 1HD2 LEU 26 -1.777 1.865 -6.346
168 HD23 LEU 26 2HD2 LEU 26 -3.117 1.045 -5.543
169 H VAL 27 H VAL 27 -3.214 5.158 -2.970
170 HA VAL 27 HA VAL 27 -0.956 6.321 -4.089
171 HB VAL 27 HB VAL 27 -3.309 7.719 -2.807
172 HG11 VAL 27 1HG1 VAL 27 -2.639 9.524 -4.500
173 HG12 VAL 27 2HG1 VAL 27 -1.672 9.372 -3.032
174 HG13 VAL 27 3HG1 VAL 27 -1.078 8.706 -4.554
175 HG21 VAL 27 3HG2 VAL 27 -4.485 7.411 -4.715
176 HG22 VAL 27 1HG2 VAL 27 -3.052 7.498 -5.739
177 HG23 VAL 27 2HG2 VAL 27 -3.431 6.007 -4.877
178 H GLN 28 H GLN 28 -2.392 7.198 -0.938
179 HA GLN 28 HA GLN 28 -0.248 8.772 -0.074
180 HB2 GLN 28 1HB GLN 28 -2.245 7.224 1.587
181 HB3 GLN 28 2HB GLN 28 -1.208 8.513 2.185
182 HG2 GLN 28 1HG GLN 28 -2.303 10.028 0.507
183 HG3 GLN 28 2HG GLN 28 -3.457 8.730 0.205
184 HE21 GLN 28 1HE2 GLN 28 -3.378 11.528 1.587
185 HE22 GLN 28 2HE2 GLN 28 -4.321 11.264 3.011
186 H HIS 29 H HIS 29 -0.921 5.331 0.379
187 HA HIS 29 HA HIS 29 1.055 4.678 2.200
188 HB2 HIS 29 1HB HIS 29 -0.331 2.894 1.759
189 HB3 HIS 29 2HB HIS 29 -0.341 3.192 0.023
190 HD1 HIS 29 HD1 HIS 29 1.352 1.239 2.650
191 HD2 HIS 29 HD2 HIS 29 1.955 2.165 -1.355
192 HE1 HIS 29 HE1 HIS 29 3.080 -0.396 1.834
193 H GLN 30 H GLN 30 1.303 4.678 -1.354
194 HA GLN 30 HA GLN 30 3.891 3.856 -1.676
195 HB2 GLN 30 1HB GLN 30 2.332 5.944 -3.192
196 HB3 GLN 30 2HB GLN 30 3.924 5.397 -3.701
197 HG2 GLN 30 1HG GLN 30 3.132 3.172 -4.035
198 HG3 GLN 30 2HG GLN 30 1.575 3.563 -3.306
199 HE21 GLN 30 1HE2 GLN 30 0.874 2.605 -5.398
200 HE22 GLN 30 2HE2 GLN 30 0.698 3.671 -6.746
201 H LYS 31 H LYS 31 2.751 7.032 -0.688
202 HA LYS 31 HA LYS 31 4.984 8.589 -0.946
203 HB2 LYS 31 1HB LYS 31 3.162 8.554 1.467
204 HB3 LYS 31 2HB LYS 31 4.175 9.894 0.948
205 HG2 LYS 31 1HG LYS 31 2.181 8.830 -0.976
206 HG3 LYS 31 2HG LYS 31 1.601 9.792 0.386
207 HD2 LYS 31 1HD LYS 31 2.611 11.704 -0.360
208 HD3 LYS 31 2HD LYS 31 3.911 10.829 -1.172
209 HE2 LYS 31 1HE LYS 31 2.686 11.622 -2.958
210 HE3 LYS 31 2HE LYS 31 2.009 10.008 -2.746
211 HZ1 LYS 31 3HZ LYS 31 0.248 11.595 -3.031
212 HZ2 LYS 31 1HZ LYS 31 0.835 12.554 -1.767
213 HZ3 LYS 31 2HZ LYS 31 0.206 11.017 -1.442
214 H MET 32 H MET 32 4.406 6.042 1.386
215 HA MET 32 HA MET 32 6.447 6.605 3.210
216 HB2 MET 32 1HB MET 32 6.101 4.471 4.066
217 HB3 MET 32 2HB MET 32 4.560 4.830 3.300
218 HG2 MET 32 1HG MET 32 5.073 3.457 1.433
219 HG3 MET 32 2HG MET 32 6.746 3.273 1.952
220 HE1 MET 32 3HE MET 32 3.271 3.176 3.252
221 HE2 MET 32 1HE MET 32 2.994 1.518 3.788
222 HE3 MET 32 2HE MET 32 3.760 2.679 4.872
223 H HIS 33 H HIS 33 6.502 4.848 0.150
224 HA HIS 33 HA HIS 33 9.196 3.956 0.395
225 HB2 HIS 33 1HB HIS 33 7.432 4.259 -2.043
226 HB3 HIS 33 2HB HIS 33 8.995 3.447 -2.032
227 HD1 HIS 33 HD1 HIS 33 9.016 1.449 -0.008
228 HD2 HIS 33 HD2 HIS 33 5.420 2.486 -1.814
229 HE1 HIS 33 HE1 HIS 33 7.474 -0.495 0.398
230 H THR 34 H THR 34 7.653 6.798 -0.968
231 HA THR 34 HA THR 34 9.944 7.791 -2.326
232 HB THR 34 HB THR 34 8.733 9.905 -2.491
233 HG1 THR 34 HG1 THR 34 7.464 10.369 -0.866
234 HG21 THR 34 3HG2 THR 34 7.712 7.352 -3.327
235 HG22 THR 34 1HG2 THR 34 7.676 8.897 -4.175
236 HG23 THR 34 2HG2 THR 34 6.381 8.475 -3.055
237 H VAL 35 H VAL 35 11.767 8.140 -1.202
238 HA VAL 35 HA VAL 35 11.631 9.382 1.440
239 HB VAL 35 HB VAL 35 13.870 8.732 1.777
240 HG11 VAL 35 1HG1 VAL 35 12.199 6.883 1.739
241 HG12 VAL 35 2HG1 VAL 35 12.699 6.530 0.084
242 HG13 VAL 35 3HG1 VAL 35 13.852 6.365 1.409
243 HG21 VAL 35 3HG2 VAL 35 14.797 7.531 -0.558
244 HG22 VAL 35 1HG2 VAL 35 14.053 9.039 -1.089
245 HG23 VAL 35 2HG2 VAL 35 15.329 9.066 0.128
246 H LYS 36 H LYS 36 12.435 10.121 -1.838
247 HA LYS 36 HA LYS 36 13.536 11.918 -2.795
248 HB2 LYS 36 1HB LYS 36 11.151 12.577 -2.396
249 HB3 LYS 36 2HB LYS 36 11.668 13.367 -0.913
250 HG2 LYS 36 1HG LYS 36 13.309 14.636 -2.490
251 HG3 LYS 36 2HG LYS 36 12.172 14.141 -3.747
252 HD2 LYS 36 1HD LYS 36 10.427 15.374 -2.827
253 HD3 LYS 36 2HD LYS 36 11.191 15.451 -1.237
254 HE2 LYS 36 1HE LYS 36 12.985 16.868 -2.304
255 HE3 LYS 36 2HE LYS 36 11.960 16.946 -3.736
256 HZ1 LYS 36 3HZ LYS 36 11.554 18.153 -1.093
257 HZ2 LYS 36 1HZ LYS 36 10.194 17.723 -2.003
258 HZ3 LYS 36 2HZ LYS 36 11.318 18.821 -2.629
259 H SER 37 H SER 37 15.289 11.020 -0.993
260 HA SER 37 HA SER 37 17.195 11.677 0.077
261 HB2 SER 37 1HB SER 37 16.789 13.769 -1.486
262 HB3 SER 37 2HB SER 37 16.397 14.560 0.041
263 HG SER 37 HG SER 37 18.764 14.233 -0.924
264 H GLY 38 H GLY 38 15.045 10.829 1.565
265 HA2 GLY 38 1HA GLY 38 14.416 12.637 3.691
266 HA3 GLY 38 2HA GLY 38 14.072 10.914 3.654
267 HA PRO 39 HA PRO 39 17.130 10.374 6.761
268 HB2 PRO 39 1HB PRO 39 17.671 7.740 6.392
269 HB3 PRO 39 2HB PRO 39 16.175 8.318 7.136
270 HG2 PRO 39 1HG PRO 39 16.671 7.429 4.321
271 HG3 PRO 39 2HG PRO 39 15.299 7.065 5.384
272 HD2 PRO 39 1HD PRO 39 15.181 8.954 3.447
273 HD3 PRO 39 2HD PRO 39 14.280 9.091 4.971
274 H SER 40 H SER 40 17.925 8.715 3.700
275 HA SER 40 HA SER 40 20.400 10.132 3.441
276 HB2 SER 40 1HB SER 40 21.901 8.214 3.631
277 HB3 SER 40 2HB SER 40 21.027 8.446 5.145
278 HG SER 40 HG SER 40 19.550 6.803 4.360
279 H SER 41 H SER 41 20.603 10.457 1.338
280 HA SER 41 HA SER 41 19.090 8.993 -0.580
281 HB2 SER 41 1HB SER 41 20.338 10.393 -2.244
282 HB3 SER 41 2HB SER 41 19.545 11.331 -0.979
283 HG SER 41 HG SER 41 21.541 11.538 0.055
284 H GLY 42 H GLY 42 19.821 7.643 -2.251
285 HA2 GLY 42 1HA GLY 42 20.982 5.787 -2.975
286 HA3 GLY 42 2HA GLY 42 22.357 6.878 -2.910
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -0.949 -10.518 1.274
2 HA2 GLY 1 1HA GLY 1 -2.506 -10.454 3.220
3 HA3 GLY 1 2HA GLY 1 -0.897 -10.991 3.680
4 H SER 2 H SER 2 -3.266 -9.228 4.815
5 HA SER 2 HA SER 2 -1.646 -7.736 6.592
6 HB2 SER 2 1HB SER 2 -1.717 -6.407 4.298
7 HB3 SER 2 2HB SER 2 -3.283 -5.880 4.916
8 HG SER 2 HG SER 2 -2.104 -4.462 5.936
9 H SER 3 H SER 3 -3.059 -6.184 7.928
10 HA SER 3 HA SER 3 -5.096 -7.582 9.142
11 HB2 SER 3 1HB SER 3 -3.893 -5.519 10.010
12 HB3 SER 3 2HB SER 3 -5.004 -4.564 9.029
13 HG SER 3 HG SER 3 -5.435 -5.387 11.436
14 H GLY 4 H GLY 4 -6.756 -8.411 8.001
15 HA2 GLY 4 1HA GLY 4 -8.987 -6.938 7.340
16 HA3 GLY 4 2HA GLY 4 -8.040 -7.019 5.861
17 H SER 5 H SER 5 -10.483 -8.084 5.754
18 HA SER 5 HA SER 5 -10.197 -10.966 6.205
19 HB2 SER 5 1HB SER 5 -12.632 -11.062 5.745
20 HB3 SER 5 2HB SER 5 -12.247 -9.971 7.076
21 HG SER 5 HG SER 5 -12.684 -9.167 4.388
22 H SER 6 H SER 6 -10.433 -8.566 3.703
23 HA SER 6 HA SER 6 -10.780 -10.561 1.613
24 HB2 SER 6 1HB SER 6 -10.563 -7.546 1.539
25 HB3 SER 6 2HB SER 6 -10.708 -8.547 0.094
26 HG SER 6 HG SER 6 -12.615 -7.807 1.910
27 H GLY 7 H GLY 7 -9.091 -11.607 0.810
28 HA2 GLY 7 1HA GLY 7 -6.402 -10.611 1.232
29 HA3 GLY 7 2HA GLY 7 -6.845 -12.158 0.526
30 H GLU 8 H GLU 8 -8.337 -11.550 -1.611
31 HA GLU 8 HA GLU 8 -6.386 -10.502 -3.436
32 HB2 GLU 8 1HB GLU 8 -8.098 -11.011 -5.166
33 HB3 GLU 8 2HB GLU 8 -7.717 -12.383 -4.135
34 HG2 GLU 8 1HG GLU 8 -9.754 -12.263 -3.012
35 HG3 GLU 8 2HG GLU 8 -10.057 -10.612 -3.550
36 H LYS 9 H LYS 9 -6.252 -8.519 -4.277
37 HA LYS 9 HA LYS 9 -8.568 -6.748 -4.236
38 HB2 LYS 9 1HB LYS 9 -5.926 -6.028 -2.953
39 HB3 LYS 9 2HB LYS 9 -7.257 -4.911 -3.221
40 HG2 LYS 9 1HG LYS 9 -8.667 -6.427 -1.787
41 HG3 LYS 9 2HG LYS 9 -7.178 -7.278 -1.372
42 HD2 LYS 9 1HD LYS 9 -6.233 -5.227 -0.471
43 HD3 LYS 9 2HD LYS 9 -7.678 -4.331 -0.945
44 HE2 LYS 9 1HE LYS 9 -7.675 -6.654 0.976
45 HE3 LYS 9 2HE LYS 9 -7.600 -4.963 1.468
46 HZ1 LYS 9 3HZ LYS 9 -9.807 -6.263 -0.036
47 HZ2 LYS 9 1HZ LYS 9 -9.728 -4.611 0.324
48 HZ3 LYS 9 2HZ LYS 9 -9.855 -5.744 1.574
49 HA PRO 10 HA PRO 10 -6.980 -5.536 -8.153
50 HB2 PRO 10 1HB PRO 10 -8.127 -3.086 -8.379
51 HB3 PRO 10 2HB PRO 10 -9.039 -4.591 -8.537
52 HG2 PRO 10 1HG PRO 10 -8.788 -2.767 -6.177
53 HG3 PRO 10 2HG PRO 10 -10.231 -3.574 -6.820
54 HD2 PRO 10 1HD PRO 10 -8.877 -4.507 -4.669
55 HD3 PRO 10 2HD PRO 10 -9.714 -5.580 -5.809
56 H TYR 11 H TYR 11 -6.499 -3.514 -5.344
57 HA TYR 11 HA TYR 11 -4.398 -1.995 -6.703
58 HB2 TYR 11 1HB TYR 11 -5.557 -1.641 -3.931
59 HB3 TYR 11 2HB TYR 11 -4.404 -0.565 -4.711
60 HD1 TYR 11 HD1 TYR 11 -5.161 0.525 -6.935
61 HD2 TYR 11 HD2 TYR 11 -7.841 -1.252 -4.149
62 HE1 TYR 11 HE1 TYR 11 -7.016 1.812 -7.909
63 HE2 TYR 11 HE2 TYR 11 -9.705 0.030 -5.116
64 HH TYR 11 HH TYR 11 -9.250 2.636 -7.212
65 H SER 12 H SER 12 -2.371 -2.662 -6.585
66 HA SER 12 HA SER 12 -1.435 -3.974 -4.133
67 HB2 SER 12 1HB SER 12 -1.143 -5.013 -6.951
68 HB3 SER 12 2HB SER 12 -0.066 -5.519 -5.650
69 HG SER 12 HG SER 12 -2.133 -6.759 -6.144
70 H CYS 13 H CYS 13 0.766 -3.703 -3.674
71 HA CYS 13 HA CYS 13 1.969 -1.405 -5.024
72 HB2 CYS 13 1HB CYS 13 1.695 -1.503 -2.504
73 HB3 CYS 13 2HB CYS 13 2.930 -2.758 -2.501
74 H ALA 14 H ALA 14 3.608 -1.611 -6.394
75 HA ALA 14 HA ALA 14 4.792 -4.225 -6.822
76 HB1 ALA 14 3HB ALA 14 5.779 -3.249 -8.810
77 HB2 ALA 14 1HB ALA 14 4.058 -2.869 -8.735
78 HB3 ALA 14 2HB ALA 14 5.253 -1.642 -8.309
79 H GLU 15 H GLU 15 5.427 -2.795 -4.360
80 HA GLU 15 HA GLU 15 8.343 -2.606 -4.718
81 HB2 GLU 15 1HB GLU 15 6.518 -0.810 -3.138
82 HB3 GLU 15 2HB GLU 15 8.226 -0.951 -2.746
83 HG2 GLU 15 1HG GLU 15 8.072 0.931 -4.116
84 HG3 GLU 15 2HG GLU 15 8.678 -0.346 -5.168
85 H CYS 16 H CYS 16 5.785 -2.979 -2.264
86 HA CYS 16 HA CYS 16 7.553 -4.852 -0.835
87 HB2 CYS 16 1HB CYS 16 6.107 -4.340 1.159
88 HB3 CYS 16 2HB CYS 16 7.056 -2.979 0.571
89 H LYS 17 H LYS 17 4.982 -4.777 -2.874
90 HA LYS 17 HA LYS 17 3.471 -6.342 -3.543
91 HB2 LYS 17 1HB LYS 17 4.753 -8.149 -1.488
92 HB3 LYS 17 2HB LYS 17 3.747 -8.647 -2.842
93 HG2 LYS 17 1HG LYS 17 6.375 -7.225 -3.174
94 HG3 LYS 17 2HG LYS 17 6.212 -8.982 -3.142
95 HD2 LYS 17 1HD LYS 17 4.618 -7.279 -5.035
96 HD3 LYS 17 2HD LYS 17 6.248 -7.830 -5.429
97 HE2 LYS 17 1HE LYS 17 3.979 -9.654 -4.646
98 HE3 LYS 17 2HE LYS 17 4.428 -9.290 -6.312
99 HZ1 LYS 17 3HZ LYS 17 5.429 -11.349 -5.629
100 HZ2 LYS 17 1HZ LYS 17 6.138 -10.617 -4.279
101 HZ3 LYS 17 2HZ LYS 17 6.646 -10.192 -5.835
102 H GLU 18 H GLU 18 2.565 -4.478 -1.786
103 HA GLU 18 HA GLU 18 0.952 -5.951 0.178
104 HB2 GLU 18 1HB GLU 18 2.403 -3.768 0.634
105 HB3 GLU 18 2HB GLU 18 0.944 -2.974 0.058
106 HG2 GLU 18 1HG GLU 18 0.647 -3.045 2.349
107 HG3 GLU 18 2HG GLU 18 -0.283 -4.430 1.779
108 H THR 19 H THR 19 -1.316 -5.281 0.438
109 HA THR 19 HA THR 19 -2.518 -4.483 -2.133
110 HB THR 19 HB THR 19 -4.505 -5.905 -1.380
111 HG1 THR 19 HG1 THR 19 -3.283 -6.136 0.803
112 HG21 THR 19 3HG2 THR 19 -2.947 -8.075 -1.887
113 HG22 THR 19 1HG2 THR 19 -1.925 -6.772 -2.493
114 HG23 THR 19 2HG2 THR 19 -3.560 -6.978 -3.123
115 H PHE 20 H PHE 20 -4.581 -3.407 -2.004
116 HA PHE 20 HA PHE 20 -5.340 -2.327 0.595
117 HB2 PHE 20 1HB PHE 20 -4.714 -0.525 -1.753
118 HB3 PHE 20 2HB PHE 20 -5.282 -0.016 -0.166
119 HD1 PHE 20 HD2 PHE 20 -2.436 -1.446 -2.014
120 HD2 PHE 20 HD1 PHE 20 -3.789 0.226 1.658
121 HE1 PHE 20 HE2 PHE 20 -0.106 -1.244 -1.252
122 HE2 PHE 20 HE1 PHE 20 -1.461 0.432 2.427
123 HZ PHE 20 HZ PHE 20 0.384 -0.305 0.972
124 H SER 21 H SER 21 -7.487 -1.950 0.782
125 HA SER 21 HA SER 21 -9.279 -3.084 -1.024
126 HB2 SER 21 1HB SER 21 -9.874 -2.745 1.309
127 HB3 SER 21 2HB SER 21 -9.777 -0.995 1.111
128 HG SER 21 HG SER 21 -11.828 -2.671 0.565
129 H ASP 22 H ASP 22 -8.542 0.353 -0.471
130 HA ASP 22 HA ASP 22 -9.764 0.943 -3.087
131 HB2 ASP 22 1HB ASP 22 -10.648 1.971 -0.810
132 HB3 ASP 22 2HB ASP 22 -9.315 3.093 -1.065
133 H ASN 23 H ASN 23 -8.821 3.123 -3.969
134 HA ASN 23 HA ASN 23 -6.011 2.652 -4.373
135 HB2 ASN 23 1HB ASN 23 -6.171 4.075 -6.185
136 HB3 ASN 23 2HB ASN 23 -7.838 3.518 -6.062
137 HD21 ASN 23 1HD2 ASN 23 -5.644 6.159 -5.444
138 HD22 ASN 23 2HD2 ASN 23 -6.853 7.383 -5.285
139 H ASN 24 H ASN 24 -7.984 5.232 -2.945
140 HA ASN 24 HA ASN 24 -6.205 7.169 -2.367
141 HB2 ASN 24 1HB ASN 24 -8.407 6.018 -0.670
142 HB3 ASN 24 2HB ASN 24 -7.445 7.382 -0.105
143 HD21 ASN 24 1HD2 ASN 24 -10.071 7.757 -0.354
144 HD22 ASN 24 2HD2 ASN 24 -10.433 8.747 -1.723
145 H ARG 25 H ARG 25 -6.646 4.236 -0.398
146 HA ARG 25 HA ARG 25 -4.652 4.791 1.489
147 HB2 ARG 25 1HB ARG 25 -5.982 2.279 0.541
148 HB3 ARG 25 2HB ARG 25 -4.621 2.180 1.650
149 HG2 ARG 25 1HG ARG 25 -5.789 3.072 3.389
150 HG3 ARG 25 2HG ARG 25 -6.842 4.022 2.339
151 HD2 ARG 25 1HD ARG 25 -8.190 2.176 1.832
152 HD3 ARG 25 2HD ARG 25 -6.980 1.027 2.398
153 HE ARG 25 HE ARG 25 -8.913 2.457 4.000
154 HH11 ARG 25 1HH1 ARG 25 -5.937 0.651 3.962
155 HH12 ARG 25 2HH1 ARG 25 -6.036 0.201 5.633
156 HH21 ARG 25 1HH2 ARG 25 -9.055 1.871 6.200
157 HH22 ARG 25 2HH2 ARG 25 -7.811 0.895 6.904
158 H LEU 26 H LEU 26 -4.508 3.148 -1.633
159 HA LEU 26 HA LEU 26 -1.862 2.218 -1.447
160 HB2 LEU 26 1HB LEU 26 -3.424 1.410 -3.124
161 HB3 LEU 26 2HB LEU 26 -3.467 3.004 -3.875
162 HG LEU 26 HG LEU 26 -0.960 2.671 -4.287
163 HD11 LEU 26 1HD1 LEU 26 -0.247 0.873 -3.081
164 HD12 LEU 26 2HD1 LEU 26 -0.617 0.074 -4.608
165 HD13 LEU 26 3HD1 LEU 26 -1.766 -0.002 -3.272
166 HD21 LEU 26 3HD2 LEU 26 -2.384 0.645 -5.880
167 HD22 LEU 26 1HD2 LEU 26 -1.478 2.068 -6.394
168 HD23 LEU 26 2HD2 LEU 26 -3.138 2.240 -5.823
169 H VAL 27 H VAL 27 -3.173 5.180 -2.923
170 HA VAL 27 HA VAL 27 -0.817 6.287 -3.860
171 HB VAL 27 HB VAL 27 -3.175 7.754 -2.668
172 HG11 VAL 27 1HG1 VAL 27 -0.834 8.911 -3.114
173 HG12 VAL 27 2HG1 VAL 27 -1.445 8.942 -4.770
174 HG13 VAL 27 3HG1 VAL 27 -2.357 9.722 -3.477
175 HG21 VAL 27 3HG2 VAL 27 -3.610 8.041 -5.228
176 HG22 VAL 27 1HG2 VAL 27 -2.616 6.590 -5.360
177 HG23 VAL 27 2HG2 VAL 27 -4.101 6.558 -4.409
178 H GLN 28 H GLN 28 -2.343 6.852 -0.687
179 HA GLN 28 HA GLN 28 -0.371 8.510 0.373
180 HB2 GLN 28 1HB GLN 28 -2.363 6.645 1.632
181 HB3 GLN 28 2HB GLN 28 -1.219 7.545 2.619
182 HG2 GLN 28 1HG GLN 28 -2.173 9.580 2.111
183 HG3 GLN 28 2HG GLN 28 -2.903 8.983 0.622
184 HE21 GLN 28 1HE2 GLN 28 -5.015 9.216 0.848
185 HE22 GLN 28 2HE2 GLN 28 -5.951 8.691 2.202
186 H HIS 29 H HIS 29 -0.610 4.989 0.330
187 HA HIS 29 HA HIS 29 1.596 4.479 2.019
188 HB2 HIS 29 1HB HIS 29 0.053 2.704 1.651
189 HB3 HIS 29 2HB HIS 29 0.226 2.821 -0.098
190 HD1 HIS 29 HD1 HIS 29 1.787 1.332 2.924
191 HD2 HIS 29 HD2 HIS 29 2.574 1.635 -1.144
192 HE1 HIS 29 HE1 HIS 29 3.610 -0.338 2.467
193 H GLN 30 H GLN 30 1.355 4.253 -1.536
194 HA GLN 30 HA GLN 30 3.931 3.698 -2.192
195 HB2 GLN 30 1HB GLN 30 1.966 5.538 -3.544
196 HB3 GLN 30 2HB GLN 30 3.531 5.161 -4.251
197 HG2 GLN 30 1HG GLN 30 2.795 2.695 -3.919
198 HG3 GLN 30 2HG GLN 30 1.176 3.384 -3.814
199 HE21 GLN 30 1HE2 GLN 30 0.541 2.352 -5.711
200 HE22 GLN 30 2HE2 GLN 30 1.070 2.888 -7.266
201 H LYS 31 H LYS 31 2.672 6.745 -1.029
202 HA LYS 31 HA LYS 31 4.899 8.360 -1.679
203 HB2 LYS 31 1HB LYS 31 2.678 8.603 0.335
204 HB3 LYS 31 2HB LYS 31 3.971 9.793 0.257
205 HG2 LYS 31 1HG LYS 31 3.364 10.457 -1.923
206 HG3 LYS 31 2HG LYS 31 2.302 9.063 -2.130
207 HD2 LYS 31 1HD LYS 31 0.940 10.992 -1.716
208 HD3 LYS 31 2HD LYS 31 0.882 9.959 -0.286
209 HE2 LYS 31 1HE LYS 31 2.860 12.200 -0.491
210 HE3 LYS 31 2HE LYS 31 1.201 12.503 0.022
211 HZ1 LYS 31 3HZ LYS 31 3.234 11.764 1.647
212 HZ2 LYS 31 1HZ LYS 31 2.435 10.295 1.386
213 HZ3 LYS 31 2HZ LYS 31 1.590 11.617 2.016
214 H MET 32 H MET 32 4.070 6.458 1.186
215 HA MET 32 HA MET 32 6.108 7.297 2.883
216 HB2 MET 32 1HB MET 32 4.724 4.628 2.628
217 HB3 MET 32 2HB MET 32 5.866 4.993 3.914
218 HG2 MET 32 1HG MET 32 3.479 6.729 3.422
219 HG3 MET 32 2HG MET 32 3.363 5.256 4.383
220 HE1 MET 32 3HE MET 32 3.624 6.985 7.646
221 HE2 MET 32 1HE MET 32 2.419 6.901 6.361
222 HE3 MET 32 2HE MET 32 3.323 5.457 6.818
223 H HIS 33 H HIS 33 6.181 5.093 0.176
224 HA HIS 33 HA HIS 33 8.662 3.860 0.738
225 HB2 HIS 33 1HB HIS 33 6.949 4.167 -1.693
226 HB3 HIS 33 2HB HIS 33 8.602 3.592 -1.890
227 HD1 HIS 33 HD1 HIS 33 9.162 1.434 -0.234
228 HD2 HIS 33 HD2 HIS 33 5.190 2.179 -1.198
229 HE1 HIS 33 HE1 HIS 33 7.944 -0.717 0.226
230 H THR 34 H THR 34 7.797 6.928 -0.627
231 HA THR 34 HA THR 34 9.927 7.658 -2.158
232 HB THR 34 HB THR 34 7.880 9.059 -1.373
233 HG1 THR 34 HG1 THR 34 9.204 9.955 -2.885
234 HG21 THR 34 3HG2 THR 34 8.475 10.757 0.323
235 HG22 THR 34 1HG2 THR 34 9.967 9.878 0.650
236 HG23 THR 34 2HG2 THR 34 8.409 9.127 0.994
237 H VAL 35 H VAL 35 11.896 8.812 -1.743
238 HA VAL 35 HA VAL 35 12.989 8.639 0.957
239 HB VAL 35 HB VAL 35 14.332 7.350 -1.423
240 HG11 VAL 35 1HG1 VAL 35 15.742 8.634 0.344
241 HG12 VAL 35 2HG1 VAL 35 15.378 7.250 1.376
242 HG13 VAL 35 3HG1 VAL 35 16.231 7.013 -0.150
243 HG21 VAL 35 3HG2 VAL 35 12.482 6.053 -0.370
244 HG22 VAL 35 1HG2 VAL 35 14.059 5.271 -0.258
245 HG23 VAL 35 2HG2 VAL 35 13.380 6.092 1.147
246 H LYS 36 H LYS 36 13.472 10.723 1.268
247 HA LYS 36 HA LYS 36 15.229 12.025 -0.697
248 HB2 LYS 36 1HB LYS 36 12.801 13.202 0.653
249 HB3 LYS 36 2HB LYS 36 14.047 14.193 -0.095
250 HG2 LYS 36 1HG LYS 36 12.556 12.050 -1.584
251 HG3 LYS 36 2HG LYS 36 12.006 13.725 -1.493
252 HD2 LYS 36 1HD LYS 36 14.084 14.479 -2.514
253 HD3 LYS 36 2HD LYS 36 14.681 12.819 -2.558
254 HE2 LYS 36 1HE LYS 36 12.673 12.260 -3.977
255 HE3 LYS 36 2HE LYS 36 12.365 13.993 -4.083
256 HZ1 LYS 36 3HZ LYS 36 14.044 12.495 -5.683
257 HZ2 LYS 36 1HZ LYS 36 15.067 13.429 -4.712
258 HZ3 LYS 36 2HZ LYS 36 13.887 14.179 -5.663
259 H SER 37 H SER 37 17.007 11.522 0.625
260 HA SER 37 HA SER 37 17.090 12.307 3.381
261 HB2 SER 37 1HB SER 37 18.440 10.434 2.720
262 HB3 SER 37 2HB SER 37 19.235 11.380 1.461
263 HG SER 37 HG SER 37 20.642 11.439 3.113
264 H GLY 38 H GLY 38 18.580 13.533 0.389
265 HA2 GLY 38 1HA GLY 38 18.398 16.240 1.244
266 HA3 GLY 38 2HA GLY 38 20.036 15.637 1.448
267 HA PRO 39 HA PRO 39 18.867 16.777 -3.097
268 HB2 PRO 39 1HB PRO 39 19.321 19.454 -3.140
269 HB3 PRO 39 2HB PRO 39 17.729 18.754 -2.821
270 HG2 PRO 39 1HG PRO 39 19.758 19.805 -0.888
271 HG3 PRO 39 2HG PRO 39 18.000 20.037 -0.901
272 HD2 PRO 39 1HD PRO 39 19.220 18.240 0.716
273 HD3 PRO 39 2HD PRO 39 17.595 17.978 0.052
274 H SER 40 H SER 40 21.328 17.874 -0.856
275 HA SER 40 HA SER 40 23.299 18.387 -2.880
276 HB2 SER 40 1HB SER 40 23.135 19.378 -0.474
277 HB3 SER 40 2HB SER 40 23.965 17.899 0.009
278 HG SER 40 HG SER 40 24.871 19.843 -1.849
279 H SER 41 H SER 41 23.882 16.678 -4.087
280 HA SER 41 HA SER 41 24.685 14.215 -2.682
281 HB2 SER 41 1HB SER 41 22.756 14.044 -4.316
282 HB3 SER 41 2HB SER 41 23.908 14.424 -5.596
283 HG SER 41 HG SER 41 23.409 12.069 -4.533
284 H GLY 42 H GLY 42 26.803 13.912 -2.577
285 HA2 GLY 42 1HA GLY 42 29.050 14.088 -3.029
286 HA3 GLY 42 2HA GLY 42 28.563 13.828 -4.698
Start of MODEL 19
1 H1 GLY 1 H GLY 1 7.997 -22.285 -4.906
2 HA2 GLY 1 1HA GLY 1 10.209 -22.248 -3.355
3 HA3 GLY 1 2HA GLY 1 10.337 -20.727 -4.225
4 H SER 2 H SER 2 8.652 -19.150 -3.955
5 HA SER 2 HA SER 2 7.086 -19.526 -1.488
6 HB2 SER 2 1HB SER 2 8.890 -18.057 -0.911
7 HB3 SER 2 2HB SER 2 8.653 -17.096 -2.371
8 HG SER 2 HG SER 2 7.455 -15.918 -1.105
9 H SER 3 H SER 3 5.112 -19.879 -2.378
10 HA SER 3 HA SER 3 4.109 -17.901 -4.312
11 HB2 SER 3 1HB SER 3 3.319 -20.758 -3.754
12 HB3 SER 3 2HB SER 3 2.291 -19.669 -4.686
13 HG SER 3 HG SER 3 5.010 -20.043 -5.344
14 H GLY 4 H GLY 4 1.694 -17.493 -4.126
15 HA2 GLY 4 1HA GLY 4 0.087 -17.863 -1.976
16 HA3 GLY 4 2HA GLY 4 1.166 -16.585 -1.437
17 H SER 5 H SER 5 -1.808 -16.858 -2.287
18 HA SER 5 HA SER 5 -1.813 -14.442 -3.974
19 HB2 SER 5 1HB SER 5 -3.946 -15.258 -4.960
20 HB3 SER 5 2HB SER 5 -2.587 -16.326 -5.306
21 HG SER 5 HG SER 5 -4.496 -17.441 -4.611
22 H SER 6 H SER 6 -3.667 -16.337 -1.609
23 HA SER 6 HA SER 6 -5.344 -15.712 -0.167
24 HB2 SER 6 1HB SER 6 -4.613 -14.053 1.454
25 HB3 SER 6 2HB SER 6 -3.240 -15.060 0.991
26 HG SER 6 HG SER 6 -3.844 -12.458 0.028
27 H GLY 7 H GLY 7 -6.018 -14.902 -2.717
28 HA2 GLY 7 1HA GLY 7 -7.769 -13.637 -3.578
29 HA3 GLY 7 2HA GLY 7 -7.758 -12.671 -2.110
30 H GLU 8 H GLU 8 -7.878 -11.869 -4.954
31 HA GLU 8 HA GLU 8 -5.351 -10.408 -5.234
32 HB2 GLU 8 1HB GLU 8 -7.608 -10.857 -7.192
33 HB3 GLU 8 2HB GLU 8 -6.177 -9.894 -7.529
34 HG2 GLU 8 1HG GLU 8 -4.774 -11.754 -7.523
35 HG3 GLU 8 2HG GLU 8 -5.956 -12.756 -6.682
36 H LYS 9 H LYS 9 -5.602 -8.144 -6.167
37 HA LYS 9 HA LYS 9 -7.988 -6.713 -5.387
38 HB2 LYS 9 1HB LYS 9 -6.270 -7.026 -3.372
39 HB3 LYS 9 2HB LYS 9 -5.501 -5.646 -4.145
40 HG2 LYS 9 1HG LYS 9 -7.286 -4.245 -3.721
41 HG3 LYS 9 2HG LYS 9 -8.425 -5.581 -3.542
42 HD2 LYS 9 1HD LYS 9 -6.156 -5.117 -1.621
43 HD3 LYS 9 2HD LYS 9 -7.743 -4.372 -1.414
44 HE2 LYS 9 1HE LYS 9 -8.742 -6.656 -1.482
45 HE3 LYS 9 2HE LYS 9 -7.108 -7.319 -1.499
46 HZ1 LYS 9 3HZ LYS 9 -8.401 -7.023 0.730
47 HZ2 LYS 9 1HZ LYS 9 -7.841 -5.430 0.622
48 HZ3 LYS 9 2HZ LYS 9 -6.740 -6.713 0.658
49 HA PRO 10 HA PRO 10 -6.684 -4.276 -8.819
50 HB2 PRO 10 1HB PRO 10 -8.259 -2.104 -8.402
51 HB3 PRO 10 2HB PRO 10 -8.885 -3.643 -9.007
52 HG2 PRO 10 1HG PRO 10 -8.941 -2.538 -6.225
53 HG3 PRO 10 2HG PRO 10 -10.221 -3.375 -7.123
54 HD2 PRO 10 1HD PRO 10 -8.695 -4.617 -5.264
55 HD3 PRO 10 2HD PRO 10 -9.337 -5.458 -6.689
56 H TYR 11 H TYR 11 -6.096 -3.486 -5.586
57 HA TYR 11 HA TYR 11 -4.343 -1.262 -6.402
58 HB2 TYR 11 1HB TYR 11 -5.645 -1.514 -3.689
59 HB3 TYR 11 2HB TYR 11 -4.769 -0.132 -4.338
60 HD1 TYR 11 HD1 TYR 11 -5.843 0.591 -6.780
61 HD2 TYR 11 HD2 TYR 11 -7.911 -1.185 -3.513
62 HE1 TYR 11 HE1 TYR 11 -7.954 1.546 -7.605
63 HE2 TYR 11 HE2 TYR 11 -10.028 -0.235 -4.329
64 HH TYR 11 HH TYR 11 -11.028 0.919 -5.941
65 H SER 12 H SER 12 -2.609 -2.722 -6.668
66 HA SER 12 HA SER 12 -1.558 -3.824 -4.143
67 HB2 SER 12 1HB SER 12 -0.637 -5.658 -5.296
68 HB3 SER 12 2HB SER 12 -2.230 -5.457 -6.025
69 HG SER 12 HG SER 12 -0.241 -5.689 -7.432
70 H CYS 13 H CYS 13 0.795 -3.884 -3.966
71 HA CYS 13 HA CYS 13 2.000 -1.533 -5.253
72 HB2 CYS 13 1HB CYS 13 1.812 -1.769 -2.687
73 HB3 CYS 13 2HB CYS 13 3.115 -2.943 -2.840
74 H ALA 14 H ALA 14 4.366 -1.670 -5.674
75 HA ALA 14 HA ALA 14 5.027 -4.315 -6.782
76 HB1 ALA 14 3HB ALA 14 4.801 -2.414 -8.382
77 HB2 ALA 14 1HB ALA 14 6.189 -1.658 -7.599
78 HB3 ALA 14 2HB ALA 14 6.374 -3.210 -8.418
79 H GLU 15 H GLU 15 6.082 -1.793 -4.640
80 HA GLU 15 HA GLU 15 8.774 -2.777 -4.381
81 HB2 GLU 15 1HB GLU 15 7.209 -0.782 -2.737
82 HB3 GLU 15 2HB GLU 15 8.915 -1.139 -2.509
83 HG2 GLU 15 1HG GLU 15 8.684 0.882 -3.778
84 HG3 GLU 15 2HG GLU 15 9.355 -0.381 -4.808
85 H CYS 16 H CYS 16 6.131 -2.469 -2.002
86 HA CYS 16 HA CYS 16 7.314 -4.623 -0.436
87 HB2 CYS 16 1HB CYS 16 5.748 -3.989 1.302
88 HB3 CYS 16 2HB CYS 16 6.542 -2.544 0.683
89 H LYS 17 H LYS 17 4.812 -4.126 -2.711
90 HA LYS 17 HA LYS 17 3.263 -5.510 -3.636
91 HB2 LYS 17 1HB LYS 17 5.163 -7.404 -2.351
92 HB3 LYS 17 2HB LYS 17 3.607 -8.046 -2.860
93 HG2 LYS 17 1HG LYS 17 4.813 -8.420 -4.748
94 HG3 LYS 17 2HG LYS 17 4.216 -6.797 -5.102
95 HD2 LYS 17 1HD LYS 17 6.510 -6.731 -5.612
96 HD3 LYS 17 2HD LYS 17 6.369 -5.948 -4.036
97 HE2 LYS 17 1HE LYS 17 6.803 -8.382 -3.150
98 HE3 LYS 17 2HE LYS 17 7.514 -8.608 -4.747
99 HZ1 LYS 17 3HZ LYS 17 8.315 -6.244 -3.224
100 HZ2 LYS 17 1HZ LYS 17 9.215 -7.196 -4.295
101 HZ3 LYS 17 2HZ LYS 17 8.922 -7.741 -2.721
102 H GLU 18 H GLU 18 2.324 -4.116 -1.553
103 HA GLU 18 HA GLU 18 0.873 -6.022 0.147
104 HB2 GLU 18 1HB GLU 18 2.227 -3.977 1.047
105 HB3 GLU 18 2HB GLU 18 0.820 -3.051 0.543
106 HG2 GLU 18 1HG GLU 18 0.696 -5.405 2.410
107 HG3 GLU 18 2HG GLU 18 0.828 -3.729 2.939
108 H THR 19 H THR 19 -1.329 -6.129 0.167
109 HA THR 19 HA THR 19 -2.689 -4.936 -2.110
110 HB THR 19 HB THR 19 -4.598 -6.379 -1.443
111 HG1 THR 19 HG1 THR 19 -3.873 -6.394 0.859
112 HG21 THR 19 3HG2 THR 19 -2.954 -7.235 -3.016
113 HG22 THR 19 1HG2 THR 19 -3.509 -8.532 -1.958
114 HG23 THR 19 2HG2 THR 19 -1.935 -7.785 -1.686
115 H PHE 20 H PHE 20 -4.403 -3.531 -1.999
116 HA PHE 20 HA PHE 20 -5.171 -2.542 0.660
117 HB2 PHE 20 1HB PHE 20 -4.555 -0.792 -1.730
118 HB3 PHE 20 2HB PHE 20 -5.105 -0.235 -0.153
119 HD1 PHE 20 HD2 PHE 20 -2.292 -1.693 -2.011
120 HD2 PHE 20 HD1 PHE 20 -3.605 -0.051 1.691
121 HE1 PHE 20 HE2 PHE 20 0.045 -1.521 -1.262
122 HE2 PHE 20 HE1 PHE 20 -1.269 0.125 2.445
123 HZ PHE 20 HZ PHE 20 0.559 -0.612 0.968
124 H SER 21 H SER 21 -7.300 -2.186 0.936
125 HA SER 21 HA SER 21 -9.066 -2.880 -1.271
126 HB2 SER 21 1HB SER 21 -10.826 -2.973 0.439
127 HB3 SER 21 2HB SER 21 -9.430 -3.936 0.923
128 HG SER 21 HG SER 21 -8.773 -1.992 2.126
129 H ASP 22 H ASP 22 -7.667 -0.339 -1.329
130 HA ASP 22 HA ASP 22 -9.791 1.334 -2.124
131 HB2 ASP 22 1HB ASP 22 -8.741 1.698 0.638
132 HB3 ASP 22 2HB ASP 22 -9.058 3.149 -0.309
133 H ASN 23 H ASN 23 -8.982 2.533 -3.707
134 HA ASN 23 HA ASN 23 -6.343 2.585 -4.481
135 HB2 ASN 23 1HB ASN 23 -7.701 3.311 -6.178
136 HB3 ASN 23 2HB ASN 23 -8.723 4.256 -5.100
137 HD21 ASN 23 1HD2 ASN 23 -5.798 4.206 -6.970
138 HD22 ASN 23 2HD2 ASN 23 -5.497 5.906 -6.920
139 H ASN 24 H ASN 24 -8.078 4.993 -2.534
140 HA ASN 24 HA ASN 24 -6.177 6.945 -2.277
141 HB2 ASN 24 1HB ASN 24 -8.437 7.072 -1.293
142 HB3 ASN 24 2HB ASN 24 -7.960 5.905 -0.064
143 HD21 ASN 24 1HD2 ASN 24 -8.724 7.742 1.292
144 HD22 ASN 24 2HD2 ASN 24 -7.558 8.934 1.745
145 H ARG 25 H ARG 25 -6.545 4.168 -0.066
146 HA ARG 25 HA ARG 25 -4.350 4.600 1.537
147 HB2 ARG 25 1HB ARG 25 -5.562 2.002 0.591
148 HB3 ARG 25 2HB ARG 25 -4.318 2.089 1.830
149 HG2 ARG 25 1HG ARG 25 -5.747 3.269 3.308
150 HG3 ARG 25 2HG ARG 25 -6.945 3.533 2.039
151 HD2 ARG 25 1HD ARG 25 -7.139 1.002 1.911
152 HD3 ARG 25 2HD ARG 25 -6.222 0.961 3.417
153 HE ARG 25 HE ARG 25 -8.978 1.660 3.097
154 HH11 ARG 25 1HH1 ARG 25 -6.136 2.173 5.042
155 HH12 ARG 25 2HH1 ARG 25 -7.028 2.595 6.466
156 HH21 ARG 25 1HH2 ARG 25 -10.163 2.213 4.965
157 HH22 ARG 25 2HH2 ARG 25 -9.319 2.616 6.422
158 H LEU 26 H LEU 26 -4.471 2.835 -1.542
159 HA LEU 26 HA LEU 26 -1.770 2.061 -1.593
160 HB2 LEU 26 1HB LEU 26 -3.419 1.039 -3.034
161 HB3 LEU 26 2HB LEU 26 -3.698 2.576 -3.852
162 HG LEU 26 HG LEU 26 -1.207 2.407 -4.523
163 HD11 LEU 26 1HD1 LEU 26 -1.090 -0.357 -4.785
164 HD12 LEU 26 2HD1 LEU 26 -1.598 -0.085 -3.119
165 HD13 LEU 26 3HD1 LEU 26 -0.112 0.650 -3.718
166 HD21 LEU 26 3HD2 LEU 26 -2.739 2.294 -6.256
167 HD22 LEU 26 1HD2 LEU 26 -3.494 0.828 -5.631
168 HD23 LEU 26 2HD2 LEU 26 -1.903 0.746 -6.387
169 H VAL 27 H VAL 27 -3.416 4.905 -2.929
170 HA VAL 27 HA VAL 27 -1.254 6.056 -4.258
171 HB VAL 27 HB VAL 27 -3.576 7.407 -2.879
172 HG11 VAL 27 1HG1 VAL 27 -1.800 8.598 -4.996
173 HG12 VAL 27 2HG1 VAL 27 -3.050 9.402 -4.044
174 HG13 VAL 27 3HG1 VAL 27 -1.557 8.870 -3.271
175 HG21 VAL 27 3HG2 VAL 27 -4.641 7.420 -4.998
176 HG22 VAL 27 1HG2 VAL 27 -3.173 6.881 -5.815
177 HG23 VAL 27 2HG2 VAL 27 -4.045 5.779 -4.749
178 H GLN 28 H GLN 28 -2.507 7.119 -1.089
179 HA GLN 28 HA GLN 28 -0.301 8.684 -0.412
180 HB2 GLN 28 1HB GLN 28 -2.508 7.402 1.142
181 HB3 GLN 28 2HB GLN 28 -1.162 8.120 2.017
182 HG2 GLN 28 1HG GLN 28 -2.479 9.736 -0.096
183 HG3 GLN 28 2HG GLN 28 -3.332 9.491 1.427
184 HE21 GLN 28 1HE2 GLN 28 -0.471 10.812 -0.075
185 HE22 GLN 28 2HE2 GLN 28 -0.033 11.860 1.226
186 H HIS 29 H HIS 29 -0.833 5.252 -0.126
187 HA HIS 29 HA HIS 29 1.198 4.661 1.737
188 HB2 HIS 29 1HB HIS 29 -0.266 2.894 1.431
189 HB3 HIS 29 2HB HIS 29 -0.305 3.092 -0.318
190 HD1 HIS 29 HD1 HIS 29 1.598 1.432 2.421
191 HD2 HIS 29 HD2 HIS 29 1.771 1.800 -1.714
192 HE1 HIS 29 HE1 HIS 29 3.246 -0.308 1.660
193 H GLN 30 H GLN 30 1.221 4.331 -1.817
194 HA GLN 30 HA GLN 30 3.736 3.530 -2.320
195 HB2 GLN 30 1HB GLN 30 2.132 5.661 -3.719
196 HB3 GLN 30 2HB GLN 30 3.689 5.119 -4.330
197 HG2 GLN 30 1HG GLN 30 2.835 2.846 -4.520
198 HG3 GLN 30 2HG GLN 30 1.278 3.374 -3.885
199 HE21 GLN 30 1HE2 GLN 30 1.681 2.106 -6.373
200 HE22 GLN 30 2HE2 GLN 30 1.223 3.215 -7.616
201 H LYS 31 H LYS 31 2.811 6.823 -1.421
202 HA LYS 31 HA LYS 31 5.294 8.058 -1.734
203 HB2 LYS 31 1HB LYS 31 2.972 8.617 0.100
204 HB3 LYS 31 2HB LYS 31 4.413 9.625 0.098
205 HG2 LYS 31 1HG LYS 31 2.765 10.654 -1.287
206 HG3 LYS 31 2HG LYS 31 4.053 10.036 -2.324
207 HD2 LYS 31 1HD LYS 31 2.697 8.072 -2.846
208 HD3 LYS 31 2HD LYS 31 1.415 8.669 -1.790
209 HE2 LYS 31 1HE LYS 31 0.937 10.476 -3.215
210 HE3 LYS 31 2HE LYS 31 2.451 10.287 -4.098
211 HZ1 LYS 31 3HZ LYS 31 0.747 9.432 -5.465
212 HZ2 LYS 31 1HZ LYS 31 0.065 8.533 -4.204
213 HZ3 LYS 31 2HZ LYS 31 1.562 8.084 -4.849
214 H MET 32 H MET 32 3.937 6.303 1.023
215 HA MET 32 HA MET 32 5.774 6.822 2.982
216 HB2 MET 32 1HB MET 32 4.395 4.227 2.300
217 HB3 MET 32 2HB MET 32 5.341 4.453 3.765
218 HG2 MET 32 1HG MET 32 3.849 6.163 4.535
219 HG3 MET 32 2HG MET 32 2.967 6.137 3.010
220 HE1 MET 32 3HE MET 32 1.316 6.233 5.148
221 HE2 MET 32 1HE MET 32 0.473 4.770 5.657
222 HE3 MET 32 2HE MET 32 1.948 5.272 6.485
223 H HIS 33 H HIS 33 6.293 5.166 0.021
224 HA HIS 33 HA HIS 33 8.703 3.822 0.899
225 HB2 HIS 33 1HB HIS 33 7.329 4.084 -1.773
226 HB3 HIS 33 2HB HIS 33 8.897 3.302 -1.595
227 HD1 HIS 33 HD1 HIS 33 8.839 1.253 0.275
228 HD2 HIS 33 HD2 HIS 33 5.256 2.374 -1.503
229 HE1 HIS 33 HE1 HIS 33 7.278 -0.687 0.627
230 H THR 34 H THR 34 8.396 6.818 0.953
231 HA THR 34 HA THR 34 10.480 7.634 -0.932
232 HB THR 34 HB THR 34 9.970 9.953 0.002
233 HG1 THR 34 HG1 THR 34 8.869 9.126 1.903
234 HG21 THR 34 3HG2 THR 34 7.823 8.384 -1.424
235 HG22 THR 34 1HG2 THR 34 9.140 9.294 -2.162
236 HG23 THR 34 2HG2 THR 34 7.855 10.142 -1.300
237 H VAL 35 H VAL 35 12.470 7.191 -0.201
238 HA VAL 35 HA VAL 35 13.213 8.237 2.439
239 HB VAL 35 HB VAL 35 13.962 5.507 1.386
240 HG11 VAL 35 1HG1 VAL 35 14.929 5.604 3.918
241 HG12 VAL 35 2HG1 VAL 35 15.892 5.901 2.470
242 HG13 VAL 35 3HG1 VAL 35 15.223 7.256 3.379
243 HG21 VAL 35 3HG2 VAL 35 12.699 4.599 3.136
244 HG22 VAL 35 1HG2 VAL 35 12.610 6.141 3.989
245 HG23 VAL 35 2HG2 VAL 35 11.690 5.900 2.504
246 H LYS 36 H LYS 36 15.319 8.994 2.616
247 HA LYS 36 HA LYS 36 17.104 8.774 0.330
248 HB2 LYS 36 1HB LYS 36 15.514 10.807 0.083
249 HB3 LYS 36 2HB LYS 36 16.478 11.524 1.367
250 HG2 LYS 36 1HG LYS 36 18.500 11.024 -0.103
251 HG3 LYS 36 2HG LYS 36 17.333 10.745 -1.398
252 HD2 LYS 36 1HD LYS 36 16.409 13.024 -0.946
253 HD3 LYS 36 2HD LYS 36 17.743 13.282 0.180
254 HE2 LYS 36 1HE LYS 36 18.229 12.460 -2.664
255 HE3 LYS 36 2HE LYS 36 17.993 14.151 -2.226
256 HZ1 LYS 36 3HZ LYS 36 19.831 13.254 -0.428
257 HZ2 LYS 36 1HZ LYS 36 20.164 14.168 -1.812
258 HZ3 LYS 36 2HZ LYS 36 20.289 12.482 -1.862
259 H SER 37 H SER 37 18.926 8.106 1.249
260 HA SER 37 HA SER 37 20.122 9.682 3.366
261 HB2 SER 37 1HB SER 37 20.541 7.682 4.798
262 HB3 SER 37 2HB SER 37 18.833 8.106 4.683
263 HG SER 37 HG SER 37 18.800 5.993 4.279
264 H GLY 38 H GLY 38 22.372 9.334 3.600
265 HA2 GLY 38 1HA GLY 38 23.694 8.623 1.192
266 HA3 GLY 38 2HA GLY 38 24.471 9.011 2.720
267 HA PRO 39 HA PRO 39 25.723 4.818 3.047
268 HB2 PRO 39 1HB PRO 39 26.020 4.627 5.739
269 HB3 PRO 39 2HB PRO 39 27.147 5.518 4.708
270 HG2 PRO 39 1HG PRO 39 24.893 6.551 6.386
271 HG3 PRO 39 2HG PRO 39 26.529 7.204 6.186
272 HD2 PRO 39 1HD PRO 39 24.384 8.226 4.888
273 HD3 PRO 39 2HD PRO 39 26.014 8.223 4.184
274 H SER 40 H SER 40 24.933 2.778 3.503
275 HA SER 40 HA SER 40 22.118 2.657 4.193
276 HB2 SER 40 1HB SER 40 23.348 1.360 2.287
277 HB3 SER 40 2HB SER 40 23.799 0.246 3.578
278 HG SER 40 HG SER 40 21.118 1.038 3.255
279 H SER 41 H SER 41 21.397 0.786 5.606
280 HA SER 41 HA SER 41 23.212 0.469 7.904
281 HB2 SER 41 1HB SER 41 21.232 0.632 9.394
282 HB3 SER 41 2HB SER 41 21.521 2.121 8.493
283 HG SER 41 HG SER 41 19.751 1.788 7.334
284 H GLY 42 H GLY 42 23.116 -1.487 9.012
285 HA2 GLY 42 1HA GLY 42 22.274 -3.731 7.437
286 HA3 GLY 42 2HA GLY 42 23.025 -3.794 9.025
Start of MODEL 20
1 H1 GLY 1 H GLY 1 2.251 -15.657 10.910
2 HA2 GLY 1 1HA GLY 1 0.919 -16.505 8.646
3 HA3 GLY 1 2HA GLY 1 -0.077 -15.224 9.321
4 H SER 2 H SER 2 2.033 -15.733 6.985
5 HA SER 2 HA SER 2 3.267 -13.069 7.254
6 HB2 SER 2 1HB SER 2 4.738 -15.275 7.252
7 HB3 SER 2 2HB SER 2 4.517 -15.147 5.507
8 HG SER 2 HG SER 2 6.084 -13.670 7.170
9 H SER 3 H SER 3 3.982 -12.248 4.994
10 HA SER 3 HA SER 3 1.694 -11.765 3.475
11 HB2 SER 3 1HB SER 3 4.607 -11.503 2.694
12 HB3 SER 3 2HB SER 3 3.261 -10.831 1.774
13 HG SER 3 HG SER 3 2.746 -9.837 3.975
14 H GLY 4 H GLY 4 0.583 -13.420 2.598
15 HA2 GLY 4 1HA GLY 4 1.775 -14.812 0.365
16 HA3 GLY 4 2HA GLY 4 1.377 -15.854 1.723
17 H SER 5 H SER 5 -0.967 -15.186 2.618
18 HA SER 5 HA SER 5 -2.743 -15.809 0.429
19 HB2 SER 5 1HB SER 5 -4.436 -16.133 2.139
20 HB3 SER 5 2HB SER 5 -2.941 -16.915 2.653
21 HG SER 5 HG SER 5 -3.302 -14.274 3.435
22 H SER 6 H SER 6 -1.712 -13.346 -0.045
23 HA SER 6 HA SER 6 -3.169 -11.174 0.994
24 HB2 SER 6 1HB SER 6 -1.559 -11.577 -1.516
25 HB3 SER 6 2HB SER 6 -2.422 -10.066 -1.227
26 HG SER 6 HG SER 6 -0.943 -10.938 0.915
27 H GLY 7 H GLY 7 -5.154 -10.428 0.596
28 HA2 GLY 7 1HA GLY 7 -7.036 -11.899 -0.873
29 HA3 GLY 7 2HA GLY 7 -7.263 -10.258 -0.289
30 H GLU 8 H GLU 8 -8.198 -11.383 -2.777
31 HA GLU 8 HA GLU 8 -6.523 -10.417 -4.893
32 HB2 GLU 8 1HB GLU 8 -9.393 -11.351 -4.836
33 HB3 GLU 8 2HB GLU 8 -8.567 -10.855 -6.306
34 HG2 GLU 8 1HG GLU 8 -7.452 -13.005 -4.547
35 HG3 GLU 8 2HG GLU 8 -8.686 -13.351 -5.758
36 H LYS 9 H LYS 9 -6.201 -8.233 -4.141
37 HA LYS 9 HA LYS 9 -8.529 -6.468 -4.424
38 HB2 LYS 9 1HB LYS 9 -5.784 -5.786 -3.360
39 HB3 LYS 9 2HB LYS 9 -7.229 -4.788 -3.270
40 HG2 LYS 9 1HG LYS 9 -7.038 -7.490 -1.970
41 HG3 LYS 9 2HG LYS 9 -6.564 -5.996 -1.159
42 HD2 LYS 9 1HD LYS 9 -8.734 -6.115 -0.466
43 HD3 LYS 9 2HD LYS 9 -8.971 -5.233 -1.977
44 HE2 LYS 9 1HE LYS 9 -10.535 -6.865 -2.257
45 HE3 LYS 9 2HE LYS 9 -9.141 -7.691 -2.951
46 HZ1 LYS 9 3HZ LYS 9 -8.862 -8.975 -1.042
47 HZ2 LYS 9 1HZ LYS 9 -10.538 -8.960 -1.273
48 HZ3 LYS 9 2HZ LYS 9 -9.838 -7.972 -0.093
49 HA PRO 10 HA PRO 10 -7.161 -5.034 -8.354
50 HB2 PRO 10 1HB PRO 10 -8.373 -2.605 -8.375
51 HB3 PRO 10 2HB PRO 10 -9.257 -4.121 -8.584
52 HG2 PRO 10 1HG PRO 10 -8.936 -2.438 -6.129
53 HG3 PRO 10 2HG PRO 10 -10.389 -3.241 -6.753
54 HD2 PRO 10 1HD PRO 10 -8.913 -4.268 -4.729
55 HD3 PRO 10 2HD PRO 10 -9.779 -5.290 -5.894
56 H TYR 11 H TYR 11 -6.178 -3.698 -5.424
57 HA TYR 11 HA TYR 11 -4.275 -1.914 -6.795
58 HB2 TYR 11 1HB TYR 11 -5.332 -1.621 -3.977
59 HB3 TYR 11 2HB TYR 11 -4.236 -0.518 -4.801
60 HD1 TYR 11 HD1 TYR 11 -5.115 0.628 -6.935
61 HD2 TYR 11 HD2 TYR 11 -7.638 -1.289 -4.096
62 HE1 TYR 11 HE1 TYR 11 -7.035 1.907 -7.787
63 HE2 TYR 11 HE2 TYR 11 -9.566 -0.016 -4.940
64 HH TYR 11 HH TYR 11 -9.191 2.380 -7.535
65 H SER 12 H SER 12 -2.307 -2.753 -6.810
66 HA SER 12 HA SER 12 -1.340 -4.125 -4.395
67 HB2 SER 12 1HB SER 12 -0.406 -5.900 -5.609
68 HB3 SER 12 2HB SER 12 -1.968 -5.659 -6.391
69 HG SER 12 HG SER 12 -0.567 -5.717 -8.047
70 H CYS 13 H CYS 13 0.731 -3.681 -3.791
71 HA CYS 13 HA CYS 13 2.014 -1.450 -5.150
72 HB2 CYS 13 1HB CYS 13 1.674 -1.550 -2.637
73 HB3 CYS 13 2HB CYS 13 2.909 -2.804 -2.605
74 H ALA 14 H ALA 14 3.802 -1.595 -6.356
75 HA ALA 14 HA ALA 14 4.962 -4.239 -6.778
76 HB1 ALA 14 3HB ALA 14 4.251 -2.876 -8.717
77 HB2 ALA 14 1HB ALA 14 5.479 -1.683 -8.291
78 HB3 ALA 14 2HB ALA 14 5.959 -3.312 -8.766
79 H GLU 15 H GLU 15 5.501 -2.594 -4.354
80 HA GLU 15 HA GLU 15 8.432 -2.459 -4.625
81 HB2 GLU 15 1HB GLU 15 6.601 -0.653 -3.044
82 HB3 GLU 15 2HB GLU 15 8.344 -0.700 -2.818
83 HG2 GLU 15 1HG GLU 15 6.925 0.014 -5.375
84 HG3 GLU 15 2HG GLU 15 7.661 1.152 -4.248
85 H CYS 16 H CYS 16 5.758 -2.863 -2.315
86 HA CYS 16 HA CYS 16 7.509 -4.633 -0.736
87 HB2 CYS 16 1HB CYS 16 6.084 -4.060 1.212
88 HB3 CYS 16 2HB CYS 16 6.907 -2.657 0.537
89 H LYS 17 H LYS 17 4.983 -4.623 -2.847
90 HA LYS 17 HA LYS 17 3.434 -6.163 -3.480
91 HB2 LYS 17 1HB LYS 17 5.228 -7.826 -1.736
92 HB3 LYS 17 2HB LYS 17 3.772 -8.518 -2.440
93 HG2 LYS 17 1HG LYS 17 5.914 -7.174 -4.066
94 HG3 LYS 17 2HG LYS 17 5.886 -8.906 -3.727
95 HD2 LYS 17 1HD LYS 17 3.581 -7.449 -5.004
96 HD3 LYS 17 2HD LYS 17 4.886 -8.187 -5.938
97 HE2 LYS 17 1HE LYS 17 4.363 -10.360 -5.018
98 HE3 LYS 17 2HE LYS 17 3.142 -9.653 -3.960
99 HZ1 LYS 17 3HZ LYS 17 2.948 -9.334 -6.885
100 HZ2 LYS 17 1HZ LYS 17 1.721 -9.263 -5.722
101 HZ3 LYS 17 2HZ LYS 17 2.402 -10.753 -6.142
102 H GLU 18 H GLU 18 2.373 -4.449 -1.803
103 HA GLU 18 HA GLU 18 1.000 -6.001 0.283
104 HB2 GLU 18 1HB GLU 18 2.256 -3.856 0.864
105 HB3 GLU 18 2HB GLU 18 0.985 -3.001 0.001
106 HG2 GLU 18 1HG GLU 18 -0.624 -3.530 1.569
107 HG3 GLU 18 2HG GLU 18 0.281 -4.914 2.180
108 H THR 19 H THR 19 -1.312 -5.297 0.672
109 HA THR 19 HA THR 19 -2.669 -4.874 -1.912
110 HB THR 19 HB THR 19 -4.572 -6.207 -0.914
111 HG1 THR 19 HG1 THR 19 -2.625 -7.230 0.872
112 HG21 THR 19 3HG2 THR 19 -3.789 -8.078 -1.917
113 HG22 THR 19 1HG2 THR 19 -2.296 -8.084 -0.980
114 HG23 THR 19 2HG2 THR 19 -2.455 -7.022 -2.380
115 H PHE 20 H PHE 20 -4.756 -3.827 -1.816
116 HA PHE 20 HA PHE 20 -5.417 -2.400 0.630
117 HB2 PHE 20 1HB PHE 20 -4.820 -0.931 -1.948
118 HB3 PHE 20 2HB PHE 20 -5.420 -0.204 -0.461
119 HD1 PHE 20 HD2 PHE 20 -2.521 -1.668 -2.138
120 HD2 PHE 20 HD1 PHE 20 -3.969 0.143 1.432
121 HE1 PHE 20 HE2 PHE 20 -0.206 -1.324 -1.377
122 HE2 PHE 20 HE1 PHE 20 -1.656 0.490 2.197
123 HZ PHE 20 HZ PHE 20 0.229 -0.245 0.793
124 H SER 21 H SER 21 -7.550 -1.712 0.731
125 HA SER 21 HA SER 21 -9.335 -3.035 -1.121
126 HB2 SER 21 1HB SER 21 -11.073 -2.545 0.438
127 HB3 SER 21 2HB SER 21 -9.658 -2.974 1.400
128 HG SER 21 HG SER 21 -9.414 -0.443 1.126
129 H ASP 22 H ASP 22 -7.921 0.017 -0.843
130 HA ASP 22 HA ASP 22 -9.619 1.042 -2.969
131 HB2 ASP 22 1HB ASP 22 -10.684 1.817 -0.861
132 HB3 ASP 22 2HB ASP 22 -9.178 2.621 -0.427
133 H ASN 23 H ASN 23 -8.736 3.145 -3.831
134 HA ASN 23 HA ASN 23 -5.932 2.838 -4.291
135 HB2 ASN 23 1HB ASN 23 -7.565 3.644 -6.010
136 HB3 ASN 23 2HB ASN 23 -7.712 5.145 -5.102
137 HD21 ASN 23 1HD2 ASN 23 -6.838 6.541 -6.515
138 HD22 ASN 23 2HD2 ASN 23 -5.209 6.466 -7.085
139 H ASN 24 H ASN 24 -7.871 5.471 -2.864
140 HA ASN 24 HA ASN 24 -6.024 7.266 -2.117
141 HB2 ASN 24 1HB ASN 24 -8.577 7.022 -1.489
142 HB3 ASN 24 2HB ASN 24 -7.925 6.407 0.026
143 HD21 ASN 24 1HD2 ASN 24 -8.040 7.944 1.489
144 HD22 ASN 24 2HD2 ASN 24 -7.595 9.598 1.264
145 H ARG 25 H ARG 25 -6.602 4.184 -0.485
146 HA ARG 25 HA ARG 25 -4.766 4.607 1.629
147 HB2 ARG 25 1HB ARG 25 -6.103 2.190 0.460
148 HB3 ARG 25 2HB ARG 25 -4.840 2.000 1.668
149 HG2 ARG 25 1HG ARG 25 -6.102 3.198 3.291
150 HG3 ARG 25 2HG ARG 25 -7.293 3.688 2.084
151 HD2 ARG 25 1HD ARG 25 -8.207 1.555 1.940
152 HD3 ARG 25 2HD ARG 25 -6.772 0.790 2.619
153 HE ARG 25 HE ARG 25 -7.596 1.177 4.724
154 HH11 ARG 25 1HH1 ARG 25 -9.396 3.058 2.413
155 HH12 ARG 25 2HH1 ARG 25 -10.601 3.550 3.556
156 HH21 ARG 25 1HH2 ARG 25 -9.176 1.818 6.238
157 HH22 ARG 25 2HH2 ARG 25 -10.475 2.845 5.732
158 H LEU 26 H LEU 26 -4.483 3.089 -1.551
159 HA LEU 26 HA LEU 26 -1.793 2.215 -1.168
160 HB2 LEU 26 1HB LEU 26 -3.162 1.078 -2.762
161 HB3 LEU 26 2HB LEU 26 -3.487 2.576 -3.630
162 HG LEU 26 HG LEU 26 -0.883 2.552 -3.996
163 HD11 LEU 26 1HD1 LEU 26 -0.325 0.670 -2.647
164 HD12 LEU 26 2HD1 LEU 26 -0.116 0.196 -4.333
165 HD13 LEU 26 3HD1 LEU 26 -1.541 -0.333 -3.439
166 HD21 LEU 26 3HD2 LEU 26 -2.869 0.837 -5.480
167 HD22 LEU 26 1HD2 LEU 26 -1.264 1.249 -6.084
168 HD23 LEU 26 2HD2 LEU 26 -2.453 2.521 -5.805
169 H VAL 27 H VAL 27 -3.198 4.818 -3.165
170 HA VAL 27 HA VAL 27 -0.888 5.979 -4.093
171 HB VAL 27 HB VAL 27 -3.119 6.701 -4.801
172 HG11 VAL 27 1HG1 VAL 27 -3.988 6.682 -2.381
173 HG12 VAL 27 2HG1 VAL 27 -3.351 8.326 -2.292
174 HG13 VAL 27 3HG1 VAL 27 -4.596 7.924 -3.475
175 HG21 VAL 27 3HG2 VAL 27 -1.888 8.404 -5.559
176 HG22 VAL 27 1HG2 VAL 27 -2.502 9.318 -4.181
177 HG23 VAL 27 2HG2 VAL 27 -0.947 8.492 -4.071
178 H GLN 28 H GLN 28 -2.420 6.394 -0.944
179 HA GLN 28 HA GLN 28 -0.559 8.421 -0.098
180 HB2 GLN 28 1HB GLN 28 -2.789 6.910 1.218
181 HB3 GLN 28 2HB GLN 28 -1.659 7.837 2.195
182 HG2 GLN 28 1HG GLN 28 -2.951 9.164 -0.129
183 HG3 GLN 28 2HG GLN 28 -3.902 8.885 1.328
184 HE21 GLN 28 1HE2 GLN 28 -2.608 9.494 3.389
185 HE22 GLN 28 2HE2 GLN 28 -1.850 11.045 3.340
186 H HIS 29 H HIS 29 -0.556 5.027 -0.252
187 HA HIS 29 HA HIS 29 1.364 4.701 1.913
188 HB2 HIS 29 1HB HIS 29 -0.056 2.877 1.921
189 HB3 HIS 29 2HB HIS 29 -0.197 2.845 0.166
190 HD1 HIS 29 HD1 HIS 29 1.294 1.036 2.847
191 HD2 HIS 29 HD2 HIS 29 2.435 1.978 -1.035
192 HE1 HIS 29 HE1 HIS 29 3.095 -0.617 2.256
193 H GLN 30 H GLN 30 1.251 4.853 -1.566
194 HA GLN 30 HA GLN 30 3.699 3.682 -2.206
195 HB2 GLN 30 1HB GLN 30 2.111 5.878 -3.520
196 HB3 GLN 30 2HB GLN 30 3.617 5.282 -4.205
197 HG2 GLN 30 1HG GLN 30 2.625 3.006 -4.251
198 HG3 GLN 30 2HG GLN 30 1.098 3.710 -3.722
199 HE21 GLN 30 1HE2 GLN 30 1.369 2.281 -6.087
200 HE22 GLN 30 2HE2 GLN 30 1.121 3.353 -7.419
201 H LYS 31 H LYS 31 2.992 7.147 -1.731
202 HA LYS 31 HA LYS 31 5.539 8.155 -1.970
203 HB2 LYS 31 1HB LYS 31 4.745 10.100 -1.005
204 HB3 LYS 31 2HB LYS 31 3.248 9.332 -1.518
205 HG2 LYS 31 1HG LYS 31 3.042 8.408 0.806
206 HG3 LYS 31 2HG LYS 31 4.403 9.437 1.256
207 HD2 LYS 31 1HD LYS 31 2.683 10.839 1.792
208 HD3 LYS 31 2HD LYS 31 2.903 11.293 0.101
209 HE2 LYS 31 1HE LYS 31 0.975 9.152 0.959
210 HE3 LYS 31 2HE LYS 31 0.521 10.854 0.884
211 HZ1 LYS 31 3HZ LYS 31 1.325 10.778 -1.489
212 HZ2 LYS 31 1HZ LYS 31 -0.100 9.926 -1.163
213 HZ3 LYS 31 2HZ LYS 31 1.361 9.093 -1.342
214 H MET 32 H MET 32 4.063 6.576 0.808
215 HA MET 32 HA MET 32 5.783 7.159 2.841
216 HB2 MET 32 1HB MET 32 3.750 5.525 2.727
217 HB3 MET 32 2HB MET 32 4.975 4.304 2.406
218 HG2 MET 32 1HG MET 32 6.116 5.231 4.529
219 HG3 MET 32 2HG MET 32 4.537 5.936 4.868
220 HE1 MET 32 3HE MET 32 6.820 3.099 4.807
221 HE2 MET 32 1HE MET 32 5.923 1.686 5.363
222 HE3 MET 32 2HE MET 32 5.855 2.162 3.666
223 H HIS 33 H HIS 33 6.340 4.961 0.148
224 HA HIS 33 HA HIS 33 8.767 3.865 1.127
225 HB2 HIS 33 1HB HIS 33 7.555 4.032 -1.629
226 HB3 HIS 33 2HB HIS 33 9.111 3.262 -1.332
227 HD1 HIS 33 HD1 HIS 33 8.482 1.706 1.224
228 HD2 HIS 33 HD2 HIS 33 5.934 1.895 -2.053
229 HE1 HIS 33 HE1 HIS 33 7.022 -0.335 1.389
230 H THR 34 H THR 34 7.982 6.666 -0.849
231 HA THR 34 HA THR 34 10.635 7.276 -1.639
232 HB THR 34 HB THR 34 8.302 9.181 -1.367
233 HG1 THR 34 HG1 THR 34 8.969 7.241 -3.263
234 HG21 THR 34 3HG2 THR 34 10.913 9.805 -1.829
235 HG22 THR 34 1HG2 THR 34 9.541 10.752 -2.402
236 HG23 THR 34 2HG2 THR 34 10.311 9.580 -3.472
237 H VAL 35 H VAL 35 12.178 8.554 -0.731
238 HA VAL 35 HA VAL 35 11.871 9.148 2.098
239 HB VAL 35 HB VAL 35 14.292 9.440 0.313
240 HG11 VAL 35 1HG1 VAL 35 15.536 10.040 2.136
241 HG12 VAL 35 2HG1 VAL 35 13.995 10.787 2.561
242 HG13 VAL 35 3HG1 VAL 35 14.454 9.242 3.276
243 HG21 VAL 35 3HG2 VAL 35 14.402 7.382 2.348
244 HG22 VAL 35 1HG2 VAL 35 13.076 7.117 1.215
245 HG23 VAL 35 2HG2 VAL 35 14.728 7.275 0.618
246 H LYS 36 H LYS 36 11.688 11.130 2.969
247 HA LYS 36 HA LYS 36 11.930 13.452 1.171
248 HB2 LYS 36 1HB LYS 36 9.914 13.084 3.395
249 HB3 LYS 36 2HB LYS 36 10.070 14.505 2.370
250 HG2 LYS 36 1HG LYS 36 9.635 11.886 1.047
251 HG3 LYS 36 2HG LYS 36 8.277 12.622 1.901
252 HD2 LYS 36 1HD LYS 36 7.973 13.586 -0.140
253 HD3 LYS 36 2HD LYS 36 9.094 14.762 0.550
254 HE2 LYS 36 1HE LYS 36 10.878 13.088 -0.483
255 HE3 LYS 36 2HE LYS 36 9.532 12.718 -1.560
256 HZ1 LYS 36 3HZ LYS 36 10.132 15.536 -1.100
257 HZ2 LYS 36 1HZ LYS 36 9.605 14.757 -2.506
258 HZ3 LYS 36 2HZ LYS 36 11.230 14.664 -2.047
259 H SER 37 H SER 37 14.093 13.711 1.942
260 HA SER 37 HA SER 37 14.463 14.314 4.762
261 HB2 SER 37 1HB SER 37 16.872 14.644 4.052
262 HB3 SER 37 2HB SER 37 16.225 13.027 3.780
263 HG SER 37 HG SER 37 16.354 13.314 1.684
264 H GLY 38 H GLY 38 15.159 15.975 1.677
265 HA2 GLY 38 1HA GLY 38 14.895 18.534 3.127
266 HA3 GLY 38 2HA GLY 38 15.898 18.299 1.703
267 HA PRO 39 HA PRO 39 11.339 19.555 0.755
268 HB2 PRO 39 1HB PRO 39 11.482 22.263 0.895
269 HB3 PRO 39 2HB PRO 39 11.001 21.254 2.264
270 HG2 PRO 39 1HG PRO 39 13.660 22.492 1.665
271 HG3 PRO 39 2HG PRO 39 12.795 22.393 3.210
272 HD2 PRO 39 1HD PRO 39 14.826 20.721 2.568
273 HD3 PRO 39 2HD PRO 39 13.462 20.219 3.588
274 H SER 40 H SER 40 14.483 20.101 -0.262
275 HA SER 40 HA SER 40 13.989 21.727 -2.555
276 HB2 SER 40 1HB SER 40 16.304 19.923 -1.823
277 HB3 SER 40 2HB SER 40 16.280 20.955 -3.253
278 HG SER 40 HG SER 40 16.842 22.543 -2.016
279 H SER 41 H SER 41 12.430 20.915 -3.876
280 HA SER 41 HA SER 41 12.842 18.201 -4.942
281 HB2 SER 41 1HB SER 41 10.620 18.976 -3.748
282 HB3 SER 41 2HB SER 41 10.272 19.688 -5.323
283 HG SER 41 HG SER 41 10.700 17.556 -6.203
284 H GLY 42 H GLY 42 12.605 17.846 -7.194
285 HA2 GLY 42 1HA GLY 42 13.833 19.753 -8.835
286 HA3 GLY 42 2HA GLY 42 12.964 18.336 -9.406