Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504729 | 2emx RC | 10226 | 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 -5.735 -23.614 2.939
2 HA2 GLY 1 1HA GLY 1 -6.019 -26.051 1.963
3 HA3 GLY 1 2HA GLY 1 -7.189 -25.203 0.963
4 H SER 2 H SER 2 -5.595 -26.189 -0.653
5 HA SER 2 HA SER 2 -3.015 -25.160 -0.989
6 HB2 SER 2 1HB SER 2 -4.992 -26.526 -2.749
7 HB3 SER 2 2HB SER 2 -3.637 -25.709 -3.527
8 HG SER 2 HG SER 2 -3.524 -27.758 -1.569
9 H SER 3 H SER 3 -2.793 -22.982 -0.825
10 HA SER 3 HA SER 3 -3.821 -21.403 -3.048
11 HB2 SER 3 1HB SER 3 -5.475 -21.155 -1.194
12 HB3 SER 3 2HB SER 3 -4.188 -20.505 -0.180
13 HG SER 3 HG SER 3 -5.139 -19.405 -2.619
14 H GLY 4 H GLY 4 -2.223 -20.230 -3.873
15 HA2 GLY 4 1HA GLY 4 -0.007 -19.446 -2.081
16 HA3 GLY 4 2HA GLY 4 0.266 -20.027 -3.717
17 H SER 5 H SER 5 1.448 -17.785 -3.396
18 HA SER 5 HA SER 5 -0.384 -15.623 -4.176
19 HB2 SER 5 1HB SER 5 1.200 -15.336 -2.196
20 HB3 SER 5 2HB SER 5 2.511 -15.306 -3.376
21 HG SER 5 HG SER 5 1.826 -13.409 -4.122
22 H SER 6 H SER 6 -0.318 -14.760 -6.159
23 HA SER 6 HA SER 6 1.229 -16.031 -8.196
24 HB2 SER 6 1HB SER 6 -0.604 -13.627 -8.245
25 HB3 SER 6 2HB SER 6 0.173 -14.288 -9.684
26 HG SER 6 HG SER 6 -1.916 -15.303 -8.159
27 H GLY 7 H GLY 7 3.355 -15.671 -8.315
28 HA2 GLY 7 1HA GLY 7 5.277 -14.487 -8.822
29 HA3 GLY 7 2HA GLY 7 4.308 -13.022 -8.895
30 H GLU 8 H GLU 8 6.923 -13.373 -7.699
31 HA GLU 8 HA GLU 8 6.706 -13.524 -4.875
32 HB2 GLU 8 1HB GLU 8 8.806 -12.690 -6.815
33 HB3 GLU 8 2HB GLU 8 8.982 -12.166 -5.146
34 HG2 GLU 8 1HG GLU 8 10.184 -14.254 -5.635
35 HG3 GLU 8 2HG GLU 8 8.968 -14.439 -4.373
36 H LYS 9 H LYS 9 5.516 -12.139 -3.739
37 HA LYS 9 HA LYS 9 5.826 -9.264 -4.296
38 HB2 LYS 9 1HB LYS 9 3.311 -10.740 -3.504
39 HB3 LYS 9 2HB LYS 9 3.462 -8.988 -3.514
40 HG2 LYS 9 1HG LYS 9 4.073 -9.191 -5.962
41 HG3 LYS 9 2HG LYS 9 3.541 -10.870 -5.852
42 HD2 LYS 9 1HD LYS 9 1.368 -9.902 -4.879
43 HD3 LYS 9 2HD LYS 9 1.931 -8.358 -5.524
44 HE2 LYS 9 1HE LYS 9 1.700 -9.032 -7.703
45 HE3 LYS 9 2HE LYS 9 1.939 -10.735 -7.316
46 HZ1 LYS 9 3HZ LYS 9 -0.259 -10.860 -6.430
47 HZ2 LYS 9 1HZ LYS 9 -0.363 -10.165 -7.969
48 HZ3 LYS 9 2HZ LYS 9 -0.491 -9.192 -6.592
49 HA PRO 10 HA PRO 10 7.073 -10.201 0.072
50 HB2 PRO 10 1HB PRO 10 9.290 -8.636 0.017
51 HB3 PRO 10 2HB PRO 10 9.290 -10.321 -0.517
52 HG2 PRO 10 1HG PRO 10 9.127 -7.816 -2.148
53 HG3 PRO 10 2HG PRO 10 10.076 -9.284 -2.445
54 HD2 PRO 10 1HD PRO 10 7.738 -8.780 -3.714
55 HD3 PRO 10 2HD PRO 10 8.274 -10.426 -3.316
56 H PHE 11 H PHE 11 5.842 -7.667 -1.656
57 HA PHE 11 HA PHE 11 5.908 -5.854 0.665
58 HB2 PHE 11 1HB PHE 11 5.480 -5.192 -2.256
59 HB3 PHE 11 2HB PHE 11 5.427 -4.029 -0.935
60 HD1 PHE 11 HD1 PHE 11 7.646 -6.434 -2.675
61 HD2 PHE 11 HD2 PHE 11 7.379 -3.009 -0.163
62 HE1 PHE 11 HE1 PHE 11 10.073 -6.094 -2.887
63 HE2 PHE 11 HE2 PHE 11 9.805 -2.662 -0.371
64 HZ PHE 11 HZ PHE 11 11.156 -4.205 -1.735
65 H GLY 12 H GLY 12 4.076 -5.712 1.769
66 HA2 GLY 12 1HA GLY 12 1.535 -6.103 0.314
67 HA3 GLY 12 2HA GLY 12 1.822 -6.850 1.878
68 H CYS 13 H CYS 13 0.190 -4.447 0.481
69 HA CYS 13 HA CYS 13 0.670 -2.106 1.838
70 HB2 CYS 13 1HB CYS 13 -1.056 -2.512 0.037
71 HB3 CYS 13 2HB CYS 13 -2.098 -3.182 1.288
72 H SER 14 H SER 14 -0.663 -1.132 3.614
73 HA SER 14 HA SER 14 -0.856 -3.055 5.827
74 HB2 SER 14 1HB SER 14 -0.426 -0.061 5.827
75 HB3 SER 14 2HB SER 14 -0.665 -1.021 7.287
76 HG SER 14 HG SER 14 1.191 -2.307 6.219
77 H CYS 15 H CYS 15 -2.554 -0.411 4.226
78 HA CYS 15 HA CYS 15 -4.811 -0.464 5.972
79 HB2 CYS 15 1HB CYS 15 -4.500 0.689 3.193
80 HB3 CYS 15 2HB CYS 15 -5.875 0.974 4.253
81 HG CYS 15 HG CYS 15 -3.412 1.786 6.092
82 H CYS 16 H CYS 16 -4.105 -1.830 2.784
83 HA CYS 16 HA CYS 16 -6.591 -3.399 2.980
84 HB2 CYS 16 1HB CYS 16 -6.507 -3.601 0.535
85 HB3 CYS 16 2HB CYS 16 -6.538 -1.912 1.032
86 H GLU 17 H GLU 17 -6.208 -5.416 1.301
87 HA GLU 17 HA GLU 17 -3.924 -6.853 2.468
88 HB2 GLU 17 1HB GLU 17 -6.622 -7.737 1.497
89 HB3 GLU 17 2HB GLU 17 -5.293 -8.885 1.583
90 HG2 GLU 17 1HG GLU 17 -5.066 -7.977 4.025
91 HG3 GLU 17 2HG GLU 17 -6.743 -7.494 3.777
92 H LYS 18 H LYS 18 -3.793 -5.069 0.139
93 HA LYS 18 HA LYS 18 -3.433 -6.838 -2.133
94 HB2 LYS 18 1HB LYS 18 -3.126 -3.866 -1.740
95 HB3 LYS 18 2HB LYS 18 -2.632 -4.665 -3.227
96 HG2 LYS 18 1HG LYS 18 -4.872 -5.380 -3.664
97 HG3 LYS 18 2HG LYS 18 -5.413 -4.806 -2.086
98 HD2 LYS 18 1HD LYS 18 -5.261 -2.573 -2.706
99 HD3 LYS 18 2HD LYS 18 -4.144 -2.915 -4.029
100 HE2 LYS 18 1HE LYS 18 -6.291 -2.355 -4.950
101 HE3 LYS 18 2HE LYS 18 -5.987 -4.071 -5.219
102 HZ1 LYS 18 3HZ LYS 18 -8.273 -3.255 -4.309
103 HZ2 LYS 18 1HZ LYS 18 -7.468 -3.256 -2.820
104 HZ3 LYS 18 2HZ LYS 18 -7.582 -4.683 -3.721
105 H ALA 19 H ALA 19 -1.423 -6.999 -3.294
106 HA ALA 19 HA ALA 19 0.978 -6.398 -1.715
107 HB1 ALA 19 3HB ALA 19 1.898 -8.619 -2.228
108 HB2 ALA 19 1HB ALA 19 0.436 -8.713 -1.245
109 HB3 ALA 19 2HB ALA 19 0.363 -9.070 -2.971
110 H PHE 20 H PHE 20 2.840 -6.003 -2.903
111 HA PHE 20 HA PHE 20 2.533 -5.966 -5.830
112 HB2 PHE 20 1HB PHE 20 3.864 -3.809 -4.179
113 HB3 PHE 20 2HB PHE 20 3.678 -3.819 -5.930
114 HD1 PHE 20 HD2 PHE 20 1.666 -3.920 -2.800
115 HD2 PHE 20 HD1 PHE 20 1.874 -2.747 -6.886
116 HE1 PHE 20 HE2 PHE 20 -0.490 -2.757 -2.573
117 HE2 PHE 20 HE1 PHE 20 -0.282 -1.581 -6.665
118 HZ PHE 20 HZ PHE 20 -1.467 -1.586 -4.506
119 H SER 21 H SER 21 4.790 -5.496 -6.859
120 HA SER 21 HA SER 21 6.629 -7.452 -5.692
121 HB2 SER 21 1HB SER 21 6.543 -6.235 -8.463
122 HB3 SER 21 2HB SER 21 7.696 -7.457 -7.929
123 HG SER 21 HG SER 21 5.552 -8.590 -7.330
124 H SER 22 H SER 22 6.603 -4.163 -7.019
125 HA SER 22 HA SER 22 9.195 -3.692 -5.697
126 HB2 SER 22 1HB SER 22 8.915 -3.449 -8.287
127 HB3 SER 22 2HB SER 22 8.136 -1.921 -7.877
128 HG SER 22 HG SER 22 10.110 -1.203 -7.813
129 H LYS 23 H LYS 23 9.245 -2.291 -4.069
130 HA LYS 23 HA LYS 23 7.149 -1.263 -2.728
131 HB2 LYS 23 1HB LYS 23 9.651 -1.142 -2.162
132 HB3 LYS 23 2HB LYS 23 9.654 0.377 -3.048
133 HG2 LYS 23 1HG LYS 23 8.417 1.466 -1.463
134 HG3 LYS 23 2HG LYS 23 7.635 -0.012 -0.899
135 HD2 LYS 23 1HD LYS 23 10.073 -0.639 -0.153
136 HD3 LYS 23 2HD LYS 23 10.313 1.109 -0.208
137 HE2 LYS 23 1HE LYS 23 9.630 0.862 1.961
138 HE3 LYS 23 2HE LYS 23 8.074 1.124 1.175
139 HZ1 LYS 23 3HZ LYS 23 7.711 -0.716 2.508
140 HZ2 LYS 23 1HZ LYS 23 9.228 -1.394 2.189
141 HZ3 LYS 23 2HZ LYS 23 8.025 -1.418 1.001
142 H SER 24 H SER 24 8.960 0.578 -5.187
143 HA SER 24 HA SER 24 7.735 2.942 -5.282
144 HB2 SER 24 1HB SER 24 8.510 1.131 -7.554
145 HB3 SER 24 2HB SER 24 7.809 2.718 -7.870
146 HG SER 24 HG SER 24 9.559 3.674 -7.069
147 H TYR 25 H TYR 25 6.398 0.126 -7.019
148 HA TYR 25 HA TYR 25 4.022 1.276 -7.851
149 HB2 TYR 25 1HB TYR 25 4.799 -1.552 -7.207
150 HB3 TYR 25 2HB TYR 25 3.145 -1.168 -7.672
151 HD1 TYR 25 HD1 TYR 25 2.958 0.311 -9.873
152 HD2 TYR 25 HD2 TYR 25 6.281 -2.150 -8.871
153 HE1 TYR 25 HE1 TYR 25 3.600 0.222 -12.246
154 HE2 TYR 25 HE2 TYR 25 6.933 -2.245 -11.241
155 HH TYR 25 HH TYR 25 6.381 -0.448 -13.375
156 H LEU 26 H LEU 26 4.576 -0.642 -4.898
157 HA LEU 26 HA LEU 26 2.040 -0.488 -3.811
158 HB2 LEU 26 1HB LEU 26 3.633 -1.924 -2.814
159 HB3 LEU 26 2HB LEU 26 4.748 -0.593 -2.512
160 HG LEU 26 HG LEU 26 3.214 0.289 -0.808
161 HD11 LEU 26 1HD1 LEU 26 1.098 -0.463 -1.611
162 HD12 LEU 26 2HD1 LEU 26 1.366 -1.201 -0.033
163 HD13 LEU 26 3HD1 LEU 26 1.592 -2.152 -1.500
164 HD21 LEU 26 3HD2 LEU 26 3.620 -2.584 -0.116
165 HD22 LEU 26 1HD2 LEU 26 3.908 -1.140 0.854
166 HD23 LEU 26 2HD2 LEU 26 5.021 -1.564 -0.448
167 H LEU 27 H LEU 27 4.714 1.816 -3.535
168 HA LEU 27 HA LEU 27 3.606 3.567 -1.684
169 HB2 LEU 27 1HB LEU 27 5.355 4.225 -4.050
170 HB3 LEU 27 2HB LEU 27 5.070 5.276 -2.664
171 HG LEU 27 HG LEU 27 6.403 2.576 -2.492
172 HD11 LEU 27 1HD1 LEU 27 8.159 4.761 -1.970
173 HD12 LEU 27 2HD1 LEU 27 7.433 4.973 -3.563
174 HD13 LEU 27 3HD1 LEU 27 8.301 3.486 -3.181
175 HD21 LEU 27 3HD2 LEU 27 6.025 4.841 -0.545
176 HD22 LEU 27 1HD2 LEU 27 7.173 3.525 -0.300
177 HD23 LEU 27 2HD2 LEU 27 5.446 3.181 -0.402
178 H VAL 28 H VAL 28 3.576 3.960 -5.234
179 HA VAL 28 HA VAL 28 1.894 6.133 -5.401
180 HB VAL 28 HB VAL 28 1.938 3.797 -7.317
181 HG11 VAL 28 1HG1 VAL 28 0.130 5.729 -7.374
182 HG12 VAL 28 2HG1 VAL 28 1.443 6.598 -8.172
183 HG13 VAL 28 3HG1 VAL 28 0.845 5.083 -8.850
184 HG21 VAL 28 3HG2 VAL 28 3.934 5.778 -6.655
185 HG22 VAL 28 1HG2 VAL 28 4.057 4.362 -7.699
186 HG23 VAL 28 2HG2 VAL 28 3.459 5.888 -8.349
187 H HIS 29 H HIS 29 1.071 2.758 -4.903
188 HA HIS 29 HA HIS 29 -1.717 3.008 -5.343
189 HB2 HIS 29 1HB HIS 29 -0.910 0.811 -5.436
190 HB3 HIS 29 2HB HIS 29 0.006 0.984 -3.942
191 HD1 HIS 29 HD1 HIS 29 -3.625 0.840 -5.057
192 HD2 HIS 29 HD2 HIS 29 -1.247 -0.040 -1.766
193 HE1 HIS 29 HE1 HIS 29 -5.153 -0.279 -3.403
194 H GLN 30 H GLN 30 0.332 3.399 -2.511
195 HA GLN 30 HA GLN 30 -1.680 3.493 -0.558
196 HB2 GLN 30 1HB GLN 30 1.015 4.860 -0.619
197 HB3 GLN 30 2HB GLN 30 -0.006 4.723 0.806
198 HG2 GLN 30 1HG GLN 30 0.811 2.265 -0.672
199 HG3 GLN 30 2HG GLN 30 1.942 3.051 0.428
200 HE21 GLN 30 1HE2 GLN 30 1.193 0.524 0.955
201 HE22 GLN 30 2HE2 GLN 30 0.138 0.472 2.322
202 H GLN 31 H GLN 31 -0.485 5.898 -2.795
203 HA GLN 31 HA GLN 31 -1.382 8.242 -1.653
204 HB2 GLN 31 1HB GLN 31 -1.168 7.354 -4.515
205 HB3 GLN 31 2HB GLN 31 -1.775 8.954 -4.111
206 HG2 GLN 31 1HG GLN 31 0.724 8.656 -4.656
207 HG3 GLN 31 2HG GLN 31 0.257 9.667 -3.289
208 HE21 GLN 31 1HE2 GLN 31 2.470 7.541 -4.207
209 HE22 GLN 31 2HE2 GLN 31 2.837 6.776 -2.703
210 H THR 32 H THR 32 -3.209 5.787 -3.382
211 HA THR 32 HA THR 32 -5.600 7.170 -3.766
212 HB THR 32 HB THR 32 -6.696 5.003 -3.923
213 HG1 THR 32 HG1 THR 32 -5.375 4.154 -2.058
214 HG21 THR 32 3HG2 THR 32 -5.755 4.801 -5.930
215 HG22 THR 32 1HG2 THR 32 -4.350 4.023 -5.202
216 HG23 THR 32 2HG2 THR 32 -4.389 5.776 -5.388
217 H HIS 33 H HIS 33 -4.407 5.392 -0.959
218 HA HIS 33 HA HIS 33 -6.797 5.511 0.549
219 HB2 HIS 33 1HB HIS 33 -3.907 5.095 1.285
220 HB3 HIS 33 2HB HIS 33 -5.168 5.164 2.513
221 HD1 HIS 33 HD1 HIS 33 -7.334 3.445 1.561
222 HD2 HIS 33 HD2 HIS 33 -3.359 2.506 0.800
223 HE1 HIS 33 HE1 HIS 33 -7.303 0.971 1.108
224 H ALA 34 H ALA 34 -4.529 7.890 -0.287
225 HA ALA 34 HA ALA 34 -5.141 9.581 2.014
226 HB1 ALA 34 3HB ALA 34 -3.262 9.994 -0.307
227 HB2 ALA 34 1HB ALA 34 -3.484 11.128 1.025
228 HB3 ALA 34 2HB ALA 34 -2.829 9.520 1.335
229 H GLU 35 H GLU 35 -6.960 8.818 -0.377
230 HA GLU 35 HA GLU 35 -8.128 11.463 -0.629
231 HB2 GLU 35 1HB GLU 35 -6.450 11.008 -2.561
232 HB3 GLU 35 2HB GLU 35 -7.688 9.914 -3.163
233 HG2 GLU 35 1HG GLU 35 -8.052 11.930 -4.284
234 HG3 GLU 35 2HG GLU 35 -9.285 11.876 -3.025
235 H GLU 36 H GLU 36 -10.309 11.413 -1.485
236 HA GLU 36 HA GLU 36 -12.437 10.598 -1.379
237 HB2 GLU 36 1HB GLU 36 -11.333 9.482 -3.466
238 HB3 GLU 36 2HB GLU 36 -11.412 8.014 -2.501
239 HG2 GLU 36 1HG GLU 36 -13.356 7.948 -3.755
240 HG3 GLU 36 2HG GLU 36 -13.893 8.580 -2.199
241 H LYS 37 H LYS 37 -10.612 10.033 0.894
242 HA LYS 37 HA LYS 37 -10.738 7.592 2.049
243 HB2 LYS 37 1HB LYS 37 -11.241 10.270 3.352
244 HB3 LYS 37 2HB LYS 37 -10.989 8.782 4.256
245 HG2 LYS 37 1HG LYS 37 -8.956 9.544 2.232
246 HG3 LYS 37 2HG LYS 37 -9.016 10.455 3.743
247 HD2 LYS 37 1HD LYS 37 -9.104 8.029 4.789
248 HD3 LYS 37 2HD LYS 37 -8.326 7.598 3.264
249 HE2 LYS 37 1HE LYS 37 -6.497 8.043 4.583
250 HE3 LYS 37 2HE LYS 37 -6.765 9.618 3.837
251 HZ1 LYS 37 3HZ LYS 37 -6.394 9.843 6.201
252 HZ2 LYS 37 1HZ LYS 37 -7.678 8.795 6.540
253 HZ3 LYS 37 2HZ LYS 37 -7.979 10.297 5.824
254 HA PRO 38 HA PRO 38 -14.948 6.414 2.532
255 HB2 PRO 38 1HB PRO 38 -14.718 4.744 4.660
256 HB3 PRO 38 2HB PRO 38 -14.155 4.318 3.039
257 HG2 PRO 38 1HG PRO 38 -12.591 5.333 5.381
258 HG3 PRO 38 2HG PRO 38 -12.183 4.039 4.239
259 HD2 PRO 38 1HD PRO 38 -11.142 6.532 4.049
260 HD3 PRO 38 2HD PRO 38 -11.460 5.519 2.626
261 H SER 39 H SER 39 -13.196 7.516 5.402
262 HA SER 39 HA SER 39 -15.462 7.930 7.038
263 HB2 SER 39 1HB SER 39 -13.280 7.786 8.052
264 HB3 SER 39 2HB SER 39 -12.700 9.161 7.112
265 HG SER 39 HG SER 39 -13.873 10.517 8.338
266 H GLY 40 H GLY 40 -17.061 9.050 5.958
267 HA2 GLY 40 1HA GLY 40 -16.574 11.927 5.701
268 HA3 GLY 40 2HA GLY 40 -17.179 11.074 4.289
269 HA PRO 41 HA PRO 41 -20.669 12.525 7.136
270 HB2 PRO 41 1HB PRO 41 -21.712 14.401 5.473
271 HB3 PRO 41 2HB PRO 41 -20.462 14.765 6.668
272 HG2 PRO 41 1HG PRO 41 -20.184 14.260 3.731
273 HG3 PRO 41 2HG PRO 41 -19.397 15.493 4.733
274 HD2 PRO 41 1HD PRO 41 -18.147 13.212 3.980
275 HD3 PRO 41 2HD PRO 41 -17.814 14.018 5.526
276 H SER 42 H SER 42 -20.166 11.145 4.114
277 HA SER 42 HA SER 42 -21.412 9.646 2.920
278 HB2 SER 42 1HB SER 42 -23.786 10.177 4.694
279 HB3 SER 42 2HB SER 42 -23.373 8.703 3.818
280 HG SER 42 HG SER 42 -22.692 8.197 5.778
281 H SER 43 H SER 43 -21.128 12.050 1.855
282 HA SER 43 HA SER 43 -23.809 12.784 0.874
283 HB2 SER 43 1HB SER 43 -22.853 15.023 0.374
284 HB3 SER 43 2HB SER 43 -22.797 14.633 2.093
285 HG SER 43 HG SER 43 -20.565 13.831 1.502
286 H GLY 44 H GLY 44 -24.194 12.208 -1.153
287 HA2 GLY 44 1HA GLY 44 -22.337 11.016 -2.857
288 HA3 GLY 44 2HA GLY 44 -23.882 11.682 -3.365
Start of MODEL 2
1 H1 GLY 1 H GLY 1 6.055 -1.227 -23.398
2 HA2 GLY 1 1HA GLY 1 3.917 0.163 -22.091
3 HA3 GLY 1 2HA GLY 1 3.554 -1.541 -22.319
4 H SER 2 H SER 2 3.892 -0.109 -19.826
5 HA SER 2 HA SER 2 6.272 -0.286 -18.536
6 HB2 SER 2 1HB SER 2 5.072 -0.514 -16.477
7 HB3 SER 2 2HB SER 2 4.053 0.436 -17.557
8 HG SER 2 HG SER 2 2.729 -1.276 -17.837
9 H SER 3 H SER 3 7.088 -1.919 -16.979
10 HA SER 3 HA SER 3 6.456 -4.687 -17.648
11 HB2 SER 3 1HB SER 3 8.329 -3.850 -19.162
12 HB3 SER 3 2HB SER 3 9.321 -3.736 -17.709
13 HG SER 3 HG SER 3 8.027 -6.087 -18.639
14 H GLY 4 H GLY 4 7.376 -6.232 -16.130
15 HA2 GLY 4 1HA GLY 4 8.817 -5.528 -13.833
16 HA3 GLY 4 2HA GLY 4 7.105 -5.396 -13.454
17 H SER 5 H SER 5 9.761 -7.504 -13.887
18 HA SER 5 HA SER 5 8.665 -9.944 -14.464
19 HB2 SER 5 1HB SER 5 11.079 -9.553 -14.089
20 HB3 SER 5 2HB SER 5 10.776 -9.417 -12.357
21 HG SER 5 HG SER 5 10.271 -11.701 -13.968
22 H SER 6 H SER 6 6.701 -10.500 -13.690
23 HA SER 6 HA SER 6 5.913 -10.073 -10.975
24 HB2 SER 6 1HB SER 6 4.694 -11.470 -13.336
25 HB3 SER 6 2HB SER 6 3.997 -11.679 -11.729
26 HG SER 6 HG SER 6 4.434 -9.198 -13.041
27 H GLY 7 H GLY 7 5.172 -11.849 -9.547
28 HA2 GLY 7 1HA GLY 7 5.656 -14.493 -9.639
29 HA3 GLY 7 2HA GLY 7 7.263 -13.847 -9.346
30 H GLU 8 H GLU 8 7.681 -12.737 -7.380
31 HA GLU 8 HA GLU 8 5.819 -13.503 -5.237
32 HB2 GLU 8 1HB GLU 8 8.270 -14.332 -5.309
33 HB3 GLU 8 2HB GLU 8 8.682 -12.698 -4.808
34 HG2 GLU 8 1HG GLU 8 8.551 -13.689 -2.775
35 HG3 GLU 8 2HG GLU 8 6.872 -13.181 -2.954
36 H LYS 9 H LYS 9 4.887 -11.997 -3.992
37 HA LYS 9 HA LYS 9 5.711 -9.197 -4.394
38 HB2 LYS 9 1HB LYS 9 3.032 -10.479 -4.020
39 HB3 LYS 9 2HB LYS 9 3.271 -8.820 -3.488
40 HG2 LYS 9 1HG LYS 9 2.375 -8.726 -5.674
41 HG3 LYS 9 2HG LYS 9 4.083 -8.297 -5.803
42 HD2 LYS 9 1HD LYS 9 3.687 -9.778 -7.586
43 HD3 LYS 9 2HD LYS 9 4.489 -10.753 -6.353
44 HE2 LYS 9 1HE LYS 9 2.706 -12.076 -7.129
45 HE3 LYS 9 2HE LYS 9 2.161 -11.421 -5.585
46 HZ1 LYS 9 3HZ LYS 9 1.512 -9.941 -8.029
47 HZ2 LYS 9 1HZ LYS 9 0.641 -10.074 -6.585
48 HZ3 LYS 9 2HZ LYS 9 0.639 -11.351 -7.694
49 HA PRO 10 HA PRO 10 6.638 -10.224 0.026
50 HB2 PRO 10 1HB PRO 10 8.992 -8.873 0.080
51 HB3 PRO 10 2HB PRO 10 8.859 -10.550 -0.461
52 HG2 PRO 10 1HG PRO 10 9.007 -8.042 -2.088
53 HG3 PRO 10 2HG PRO 10 9.828 -9.593 -2.345
54 HD2 PRO 10 1HD PRO 10 7.608 -8.873 -3.720
55 HD3 PRO 10 2HD PRO 10 7.968 -10.561 -3.304
56 H PHE 11 H PHE 11 5.817 -7.547 -1.777
57 HA PHE 11 HA PHE 11 5.976 -5.729 0.529
58 HB2 PHE 11 1HB PHE 11 5.509 -5.085 -2.391
59 HB3 PHE 11 2HB PHE 11 5.642 -3.908 -1.088
60 HD1 PHE 11 HD1 PHE 11 7.470 -6.335 -3.145
61 HD2 PHE 11 HD2 PHE 11 7.765 -3.302 -0.173
62 HE1 PHE 11 HE1 PHE 11 9.907 -6.250 -3.478
63 HE2 PHE 11 HE2 PHE 11 10.202 -3.212 -0.502
64 HZ PHE 11 HZ PHE 11 11.275 -4.686 -2.157
65 H GLY 12 H GLY 12 4.182 -5.523 1.682
66 HA2 GLY 12 1HA GLY 12 1.591 -5.705 0.272
67 HA3 GLY 12 2HA GLY 12 1.851 -6.457 1.839
68 H CYS 13 H CYS 13 0.281 -4.024 0.524
69 HA CYS 13 HA CYS 13 0.981 -1.679 1.806
70 HB2 CYS 13 1HB CYS 13 -0.790 -1.873 0.084
71 HB3 CYS 13 2HB CYS 13 -1.829 -2.661 1.267
72 H SER 14 H SER 14 -0.006 -0.611 3.664
73 HA SER 14 HA SER 14 -0.253 -2.475 5.902
74 HB2 SER 14 1HB SER 14 1.303 -0.355 5.783
75 HB3 SER 14 2HB SER 14 -0.167 0.499 6.250
76 HG SER 14 HG SER 14 -0.278 -1.130 7.998
77 H CYS 15 H CYS 15 -2.011 0.100 4.269
78 HA CYS 15 HA CYS 15 -4.166 0.209 6.123
79 HB2 CYS 15 1HB CYS 15 -4.057 1.065 3.222
80 HB3 CYS 15 2HB CYS 15 -5.326 1.494 4.363
81 HG CYS 15 HG CYS 15 -3.515 2.904 6.056
82 H CYS 16 H CYS 16 -3.657 -1.473 3.049
83 HA CYS 16 HA CYS 16 -6.084 -3.052 3.603
84 HB2 CYS 16 1HB CYS 16 -6.262 -3.411 1.168
85 HB3 CYS 16 2HB CYS 16 -6.352 -1.704 1.589
86 H GLU 17 H GLU 17 -5.850 -5.161 2.030
87 HA GLU 17 HA GLU 17 -3.416 -6.477 3.012
88 HB2 GLU 17 1HB GLU 17 -6.179 -7.416 2.386
89 HB3 GLU 17 2HB GLU 17 -4.852 -8.556 2.218
90 HG2 GLU 17 1HG GLU 17 -5.363 -6.983 4.726
91 HG3 GLU 17 2HG GLU 17 -6.044 -8.580 4.424
92 H LYS 18 H LYS 18 -3.624 -4.776 0.580
93 HA LYS 18 HA LYS 18 -3.434 -6.556 -1.668
94 HB2 LYS 18 1HB LYS 18 -2.940 -3.611 -1.289
95 HB3 LYS 18 2HB LYS 18 -2.576 -4.419 -2.808
96 HG2 LYS 18 1HG LYS 18 -4.979 -5.201 -2.817
97 HG3 LYS 18 2HG LYS 18 -5.251 -4.074 -1.487
98 HD2 LYS 18 1HD LYS 18 -5.851 -2.880 -3.417
99 HD3 LYS 18 2HD LYS 18 -4.235 -2.296 -3.012
100 HE2 LYS 18 1HE LYS 18 -4.261 -2.663 -5.354
101 HE3 LYS 18 2HE LYS 18 -3.336 -3.987 -4.646
102 HZ1 LYS 18 3HZ LYS 18 -6.084 -4.051 -5.735
103 HZ2 LYS 18 1HZ LYS 18 -5.512 -5.261 -4.700
104 HZ3 LYS 18 2HZ LYS 18 -4.751 -4.990 -6.185
105 H ALA 19 H ALA 19 -1.465 -6.468 -3.107
106 HA ALA 19 HA ALA 19 1.057 -6.136 -1.684
107 HB1 ALA 19 3HB ALA 19 1.835 -8.346 -2.029
108 HB2 ALA 19 1HB ALA 19 0.239 -8.486 -1.292
109 HB3 ALA 19 2HB ALA 19 0.438 -8.758 -3.024
110 H PHE 20 H PHE 20 2.780 -5.692 -3.008
111 HA PHE 20 HA PHE 20 2.268 -5.706 -5.907
112 HB2 PHE 20 1HB PHE 20 3.608 -3.515 -4.309
113 HB3 PHE 20 2HB PHE 20 3.511 -3.566 -6.066
114 HD1 PHE 20 HD2 PHE 20 1.535 -3.253 -2.968
115 HD2 PHE 20 HD1 PHE 20 1.561 -2.881 -7.209
116 HE1 PHE 20 HE2 PHE 20 -0.635 -2.097 -2.877
117 HE2 PHE 20 HE1 PHE 20 -0.609 -1.724 -7.123
118 HZ PHE 20 HZ PHE 20 -1.710 -1.332 -4.956
119 H SER 21 H SER 21 4.078 -6.004 -7.250
120 HA SER 21 HA SER 21 6.048 -7.754 -6.220
121 HB2 SER 21 1HB SER 21 5.206 -7.789 -8.572
122 HB3 SER 21 2HB SER 21 6.086 -6.290 -8.869
123 HG SER 21 HG SER 21 7.905 -7.745 -7.897
124 H SER 22 H SER 22 6.136 -4.356 -7.215
125 HA SER 22 HA SER 22 8.821 -4.148 -6.017
126 HB2 SER 22 1HB SER 22 8.762 -3.630 -8.430
127 HB3 SER 22 2HB SER 22 7.561 -2.375 -8.125
128 HG SER 22 HG SER 22 10.293 -2.399 -7.593
129 H LYS 23 H LYS 23 9.227 -2.591 -4.505
130 HA LYS 23 HA LYS 23 7.161 -1.709 -2.862
131 HB2 LYS 23 1HB LYS 23 9.646 -1.899 -2.324
132 HB3 LYS 23 2HB LYS 23 9.832 -0.329 -3.095
133 HG2 LYS 23 1HG LYS 23 8.044 0.483 -1.458
134 HG3 LYS 23 2HG LYS 23 8.352 -1.018 -0.582
135 HD2 LYS 23 1HD LYS 23 9.793 0.458 0.463
136 HD3 LYS 23 2HD LYS 23 10.844 -0.290 -0.742
137 HE2 LYS 23 1HE LYS 23 10.119 1.687 -2.246
138 HE3 LYS 23 2HE LYS 23 9.615 2.443 -0.735
139 HZ1 LYS 23 3HZ LYS 23 11.901 3.021 -1.434
140 HZ2 LYS 23 1HZ LYS 23 12.348 1.401 -1.238
141 HZ3 LYS 23 2HZ LYS 23 11.833 2.303 0.096
142 H SER 24 H SER 24 8.965 0.066 -5.355
143 HA SER 24 HA SER 24 7.971 2.587 -5.078
144 HB2 SER 24 1HB SER 24 8.790 0.979 -7.458
145 HB3 SER 24 2HB SER 24 8.012 2.538 -7.732
146 HG SER 24 HG SER 24 9.927 3.321 -7.390
147 H TYR 25 H TYR 25 6.420 -0.080 -6.842
148 HA TYR 25 HA TYR 25 4.163 1.326 -7.712
149 HB2 TYR 25 1HB TYR 25 4.639 -1.596 -7.147
150 HB3 TYR 25 2HB TYR 25 3.094 -1.004 -7.749
151 HD1 TYR 25 HD1 TYR 25 3.781 0.965 -9.729
152 HD2 TYR 25 HD2 TYR 25 5.713 -2.723 -8.854
153 HE1 TYR 25 HE1 TYR 25 4.640 0.876 -12.032
154 HE2 TYR 25 HE2 TYR 25 6.579 -2.822 -11.154
155 HH TYR 25 HH TYR 25 6.451 -1.922 -13.209
156 H LEU 26 H LEU 26 4.649 -0.640 -4.791
157 HA LEU 26 HA LEU 26 2.106 -0.462 -3.710
158 HB2 LEU 26 1HB LEU 26 3.676 -1.926 -2.717
159 HB3 LEU 26 2HB LEU 26 4.812 -0.614 -2.410
160 HG LEU 26 HG LEU 26 3.204 0.298 -0.738
161 HD11 LEU 26 1HD1 LEU 26 1.177 -0.565 -0.396
162 HD12 LEU 26 2HD1 LEU 26 1.782 -2.221 -0.419
163 HD13 LEU 26 3HD1 LEU 26 1.402 -1.400 -1.933
164 HD21 LEU 26 3HD2 LEU 26 3.815 -1.223 0.990
165 HD22 LEU 26 1HD2 LEU 26 5.137 -1.194 -0.177
166 HD23 LEU 26 2HD2 LEU 26 4.007 -2.547 -0.161
167 H LEU 27 H LEU 27 4.839 1.770 -3.324
168 HA LEU 27 HA LEU 27 3.690 3.537 -1.513
169 HB2 LEU 27 1HB LEU 27 5.619 4.098 -3.760
170 HB3 LEU 27 2HB LEU 27 5.247 5.222 -2.455
171 HG LEU 27 HG LEU 27 6.478 2.504 -2.029
172 HD11 LEU 27 1HD1 LEU 27 7.765 4.402 -3.362
173 HD12 LEU 27 2HD1 LEU 27 8.571 3.375 -2.176
174 HD13 LEU 27 3HD1 LEU 27 8.051 4.999 -1.727
175 HD21 LEU 27 3HD2 LEU 27 6.827 4.687 -0.091
176 HD22 LEU 27 1HD2 LEU 27 6.507 2.973 0.171
177 HD23 LEU 27 2HD2 LEU 27 5.183 4.064 -0.238
178 H VAL 28 H VAL 28 3.816 3.886 -5.063
179 HA VAL 28 HA VAL 28 2.251 6.145 -5.314
180 HB VAL 28 HB VAL 28 2.359 3.782 -7.193
181 HG11 VAL 28 1HG1 VAL 28 1.694 6.597 -7.976
182 HG12 VAL 28 2HG1 VAL 28 1.395 5.096 -8.855
183 HG13 VAL 28 3HG1 VAL 28 0.439 5.486 -7.425
184 HG21 VAL 28 3HG2 VAL 28 4.350 5.614 -6.442
185 HG22 VAL 28 1HG2 VAL 28 4.391 4.463 -7.779
186 HG23 VAL 28 2HG2 VAL 28 3.810 6.107 -8.047
187 H HIS 29 H HIS 29 1.246 2.787 -4.948
188 HA HIS 29 HA HIS 29 -1.481 3.103 -5.503
189 HB2 HIS 29 1HB HIS 29 -0.903 0.881 -5.389
190 HB3 HIS 29 2HB HIS 29 0.154 1.116 -4.000
191 HD1 HIS 29 HD1 HIS 29 -3.493 0.728 -4.876
192 HD2 HIS 29 HD2 HIS 29 -1.009 0.653 -1.547
193 HE1 HIS 29 HE1 HIS 29 -4.926 -0.109 -2.986
194 H GLN 30 H GLN 30 0.169 3.067 -2.341
195 HA GLN 30 HA GLN 30 -1.807 3.449 -0.582
196 HB2 GLN 30 1HB GLN 30 0.920 4.619 -0.771
197 HB3 GLN 30 2HB GLN 30 -0.164 5.292 0.440
198 HG2 GLN 30 1HG GLN 30 -0.177 3.394 1.692
199 HG3 GLN 30 2HG GLN 30 0.091 2.342 0.303
200 HE21 GLN 30 1HE2 GLN 30 2.008 1.436 0.206
201 HE22 GLN 30 2HE2 GLN 30 3.464 2.045 0.908
202 H GLN 31 H GLN 31 -0.791 5.778 -2.977
203 HA GLN 31 HA GLN 31 -1.782 8.151 -2.142
204 HB2 GLN 31 1HB GLN 31 -1.920 6.852 -4.851
205 HB3 GLN 31 2HB GLN 31 -2.536 8.478 -4.588
206 HG2 GLN 31 1HG GLN 31 -0.226 8.995 -3.620
207 HG3 GLN 31 2HG GLN 31 0.280 7.484 -4.374
208 HE21 GLN 31 1HE2 GLN 31 0.555 7.391 -6.551
209 HE22 GLN 31 2HE2 GLN 31 0.423 8.761 -7.595
210 H THR 32 H THR 32 -3.740 5.642 -3.746
211 HA THR 32 HA THR 32 -6.196 6.790 -3.788
212 HB THR 32 HB THR 32 -5.756 4.505 -4.597
213 HG1 THR 32 HG1 THR 32 -7.836 4.170 -2.747
214 HG21 THR 32 3HG2 THR 32 -6.067 3.557 -1.760
215 HG22 THR 32 1HG2 THR 32 -4.483 3.859 -2.474
216 HG23 THR 32 2HG2 THR 32 -5.549 2.641 -3.175
217 H HIS 33 H HIS 33 -4.642 5.311 -0.973
218 HA HIS 33 HA HIS 33 -6.846 5.595 0.781
219 HB2 HIS 33 1HB HIS 33 -3.891 5.214 1.223
220 HB3 HIS 33 2HB HIS 33 -5.010 5.398 2.571
221 HD1 HIS 33 HD1 HIS 33 -7.256 3.617 2.041
222 HD2 HIS 33 HD2 HIS 33 -3.402 2.591 0.877
223 HE1 HIS 33 HE1 HIS 33 -7.272 1.114 1.795
224 H ALA 34 H ALA 34 -4.088 7.659 0.018
225 HA ALA 34 HA ALA 34 -4.265 9.561 1.998
226 HB1 ALA 34 3HB ALA 34 -2.858 9.298 -0.353
227 HB2 ALA 34 1HB ALA 34 -3.805 10.764 -0.610
228 HB3 ALA 34 2HB ALA 34 -2.733 10.639 0.785
229 H GLU 35 H GLU 35 -6.217 9.258 -0.927
230 HA GLU 35 HA GLU 35 -7.703 11.675 -0.301
231 HB2 GLU 35 1HB GLU 35 -7.962 9.676 -2.552
232 HB3 GLU 35 2HB GLU 35 -8.969 11.107 -2.382
233 HG2 GLU 35 1HG GLU 35 -7.071 12.546 -2.650
234 HG3 GLU 35 2HG GLU 35 -5.973 11.168 -2.637
235 H GLU 36 H GLU 36 -8.403 8.205 -0.700
236 HA GLU 36 HA GLU 36 -11.055 8.510 0.391
237 HB2 GLU 36 1HB GLU 36 -9.435 6.190 -0.609
238 HB3 GLU 36 2HB GLU 36 -10.920 5.913 0.291
239 HG2 GLU 36 1HG GLU 36 -10.783 7.630 -2.170
240 HG3 GLU 36 2HG GLU 36 -11.138 5.904 -2.207
241 H LYS 37 H LYS 37 -9.744 9.533 2.334
242 HA LYS 37 HA LYS 37 -9.256 7.404 4.312
243 HB2 LYS 37 1HB LYS 37 -7.759 8.840 5.452
244 HB3 LYS 37 2HB LYS 37 -7.353 8.985 3.747
245 HG2 LYS 37 1HG LYS 37 -8.757 11.058 3.683
246 HG3 LYS 37 2HG LYS 37 -8.888 10.940 5.439
247 HD2 LYS 37 1HD LYS 37 -6.182 10.848 4.194
248 HD3 LYS 37 2HD LYS 37 -7.012 12.402 4.305
249 HE2 LYS 37 1HE LYS 37 -5.929 12.418 6.310
250 HE3 LYS 37 2HE LYS 37 -7.410 11.595 6.794
251 HZ1 LYS 37 3HZ LYS 37 -5.071 10.626 7.392
252 HZ2 LYS 37 1HZ LYS 37 -5.167 9.973 5.834
253 HZ3 LYS 37 2HZ LYS 37 -6.352 9.600 6.981
254 HA PRO 38 HA PRO 38 -12.731 8.722 6.652
255 HB2 PRO 38 1HB PRO 38 -11.896 8.141 9.169
256 HB3 PRO 38 2HB PRO 38 -12.356 6.899 7.999
257 HG2 PRO 38 1HG PRO 38 -9.627 7.862 8.765
258 HG3 PRO 38 2HG PRO 38 -10.195 6.203 8.501
259 HD2 PRO 38 1HD PRO 38 -8.795 7.578 6.635
260 HD3 PRO 38 2HD PRO 38 -10.032 6.379 6.208
261 H SER 39 H SER 39 -12.573 10.986 6.211
262 HA SER 39 HA SER 39 -11.275 12.547 8.347
263 HB2 SER 39 1HB SER 39 -11.193 14.419 6.757
264 HB3 SER 39 2HB SER 39 -10.363 13.005 6.108
265 HG SER 39 HG SER 39 -13.068 13.289 5.508
266 H GLY 40 H GLY 40 -12.393 14.357 9.208
267 HA2 GLY 40 1HA GLY 40 -14.268 15.693 9.630
268 HA3 GLY 40 2HA GLY 40 -15.193 14.714 8.502
269 HA PRO 41 HA PRO 41 -16.163 13.643 13.007
270 HB2 PRO 41 1HB PRO 41 -18.711 14.577 13.039
271 HB3 PRO 41 2HB PRO 41 -17.318 15.572 13.480
272 HG2 PRO 41 1HG PRO 41 -18.824 15.459 10.895
273 HG3 PRO 41 2HG PRO 41 -18.225 16.874 11.779
274 HD2 PRO 41 1HD PRO 41 -16.932 15.842 9.635
275 HD3 PRO 41 2HD PRO 41 -16.077 16.620 10.982
276 H SER 42 H SER 42 -17.926 13.411 9.974
277 HA SER 42 HA SER 42 -18.808 10.718 10.765
278 HB2 SER 42 1HB SER 42 -20.925 11.071 9.563
279 HB3 SER 42 2HB SER 42 -20.737 12.241 10.869
280 HG SER 42 HG SER 42 -19.819 12.932 8.319
281 H SER 43 H SER 43 -19.142 9.242 8.991
282 HA SER 43 HA SER 43 -17.532 9.952 6.627
283 HB2 SER 43 1HB SER 43 -17.046 7.507 6.449
284 HB3 SER 43 2HB SER 43 -16.425 8.237 7.930
285 HG SER 43 HG SER 43 -18.178 6.221 7.644
286 H GLY 44 H GLY 44 -20.160 7.764 7.652
287 HA2 GLY 44 1HA GLY 44 -21.898 8.588 5.567
288 HA3 GLY 44 2HA GLY 44 -21.100 7.085 5.125
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -2.562 -18.987 -22.664
2 HA2 GLY 1 1HA GLY 1 -0.439 -18.107 -22.597
3 HA3 GLY 1 2HA GLY 1 -1.026 -16.968 -21.394
4 H SER 2 H SER 2 0.587 -17.042 -19.921
5 HA SER 2 HA SER 2 1.614 -19.608 -19.015
6 HB2 SER 2 1HB SER 2 2.363 -16.834 -18.067
7 HB3 SER 2 2HB SER 2 3.260 -18.327 -17.789
8 HG SER 2 HG SER 2 3.962 -16.887 -19.582
9 H SER 3 H SER 3 -0.126 -20.506 -17.912
10 HA SER 3 HA SER 3 -1.814 -19.319 -16.095
11 HB2 SER 3 1HB SER 3 -1.699 -21.778 -16.997
12 HB3 SER 3 2HB SER 3 -0.766 -22.071 -15.530
13 HG SER 3 HG SER 3 -2.515 -21.359 -14.315
14 H GLY 4 H GLY 4 -1.834 -19.066 -13.844
15 HA2 GLY 4 1HA GLY 4 -0.954 -18.589 -11.777
16 HA3 GLY 4 2HA GLY 4 0.302 -19.764 -12.137
17 H SER 5 H SER 5 2.315 -19.042 -12.390
18 HA SER 5 HA SER 5 4.057 -17.562 -12.297
19 HB2 SER 5 1HB SER 5 3.178 -17.593 -14.762
20 HB3 SER 5 2HB SER 5 2.649 -15.949 -14.401
21 HG SER 5 HG SER 5 4.665 -15.646 -15.105
22 H SER 6 H SER 6 2.140 -17.008 -10.351
23 HA SER 6 HA SER 6 2.579 -14.143 -10.009
24 HB2 SER 6 1HB SER 6 -0.123 -15.479 -9.989
25 HB3 SER 6 2HB SER 6 0.169 -13.967 -9.130
26 HG SER 6 HG SER 6 -0.625 -13.810 -11.368
27 H GLY 7 H GLY 7 2.994 -13.564 -7.934
28 HA2 GLY 7 1HA GLY 7 2.320 -14.148 -5.537
29 HA3 GLY 7 2HA GLY 7 2.935 -15.742 -5.948
30 H GLU 8 H GLU 8 4.418 -12.794 -7.106
31 HA GLU 8 HA GLU 8 6.722 -13.346 -5.354
32 HB2 GLU 8 1HB GLU 8 8.169 -12.492 -7.095
33 HB3 GLU 8 2HB GLU 8 7.152 -13.765 -7.755
34 HG2 GLU 8 1HG GLU 8 6.436 -10.867 -8.023
35 HG3 GLU 8 2HG GLU 8 7.500 -11.681 -9.168
36 H LYS 9 H LYS 9 4.556 -11.716 -4.550
37 HA LYS 9 HA LYS 9 5.691 -9.006 -4.692
38 HB2 LYS 9 1HB LYS 9 2.921 -9.838 -3.810
39 HB3 LYS 9 2HB LYS 9 3.498 -8.191 -4.029
40 HG2 LYS 9 1HG LYS 9 3.391 -8.306 -6.308
41 HG3 LYS 9 2HG LYS 9 3.627 -10.055 -6.341
42 HD2 LYS 9 1HD LYS 9 1.398 -10.487 -5.809
43 HD3 LYS 9 2HD LYS 9 1.137 -8.861 -5.174
44 HE2 LYS 9 1HE LYS 9 0.022 -9.005 -7.278
45 HE3 LYS 9 2HE LYS 9 1.448 -7.992 -7.496
46 HZ1 LYS 9 3HZ LYS 9 1.472 -10.886 -8.111
47 HZ2 LYS 9 1HZ LYS 9 2.568 -9.699 -8.612
48 HZ3 LYS 9 2HZ LYS 9 1.004 -9.730 -9.255
49 HA PRO 10 HA PRO 10 6.785 -10.430 -0.449
50 HB2 PRO 10 1HB PRO 10 9.150 -9.099 -0.384
51 HB3 PRO 10 2HB PRO 10 8.973 -10.710 -1.091
52 HG2 PRO 10 1HG PRO 10 9.053 -8.043 -2.449
53 HG3 PRO 10 2HG PRO 10 9.844 -9.560 -2.915
54 HD2 PRO 10 1HD PRO 10 7.559 -8.692 -4.079
55 HD3 PRO 10 2HD PRO 10 7.927 -10.416 -3.865
56 H PHE 11 H PHE 11 5.766 -7.636 -1.865
57 HA PHE 11 HA PHE 11 6.030 -6.099 0.635
58 HB2 PHE 11 1HB PHE 11 5.860 -5.155 -2.227
59 HB3 PHE 11 2HB PHE 11 5.635 -4.079 -0.852
60 HD1 PHE 11 HD1 PHE 11 8.034 -6.094 -2.738
61 HD2 PHE 11 HD2 PHE 11 7.492 -3.438 0.544
62 HE1 PHE 11 HE1 PHE 11 10.469 -5.772 -2.601
63 HE2 PHE 11 HE2 PHE 11 9.926 -3.110 0.686
64 HZ PHE 11 HZ PHE 11 11.418 -4.277 -0.888
65 H GLY 12 H GLY 12 4.216 -5.623 1.698
66 HA2 GLY 12 1HA GLY 12 1.662 -5.757 0.223
67 HA3 GLY 12 2HA GLY 12 1.855 -6.550 1.779
68 H CYS 13 H CYS 13 0.429 -4.018 0.448
69 HA CYS 13 HA CYS 13 1.113 -1.708 1.725
70 HB2 CYS 13 1HB CYS 13 -0.755 -1.970 0.094
71 HB3 CYS 13 2HB CYS 13 -1.727 -2.689 1.374
72 H SER 14 H SER 14 0.141 -0.621 3.607
73 HA SER 14 HA SER 14 0.056 -2.459 5.881
74 HB2 SER 14 1HB SER 14 1.662 -0.740 6.201
75 HB3 SER 14 2HB SER 14 0.545 0.510 5.652
76 HG SER 14 HG SER 14 0.441 0.676 7.805
77 H CYS 15 H CYS 15 -1.828 0.053 4.295
78 HA CYS 15 HA CYS 15 -3.907 0.092 6.257
79 HB2 CYS 15 1HB CYS 15 -3.249 1.892 4.477
80 HB3 CYS 15 2HB CYS 15 -4.315 0.974 3.421
81 HG CYS 15 HG CYS 15 -5.928 2.976 4.218
82 H CYS 16 H CYS 16 -3.488 -1.443 3.094
83 HA CYS 16 HA CYS 16 -5.911 -3.035 3.623
84 HB2 CYS 16 1HB CYS 16 -6.035 -3.379 1.178
85 HB3 CYS 16 2HB CYS 16 -6.136 -1.677 1.617
86 H GLU 17 H GLU 17 -5.673 -5.134 2.034
87 HA GLU 17 HA GLU 17 -3.248 -6.472 3.017
88 HB2 GLU 17 1HB GLU 17 -6.029 -7.402 2.444
89 HB3 GLU 17 2HB GLU 17 -4.708 -8.552 2.305
90 HG2 GLU 17 1HG GLU 17 -4.125 -8.299 4.585
91 HG3 GLU 17 2HG GLU 17 -5.184 -6.901 4.768
92 H LYS 18 H LYS 18 -3.389 -4.805 0.604
93 HA LYS 18 HA LYS 18 -3.263 -6.650 -1.621
94 HB2 LYS 18 1HB LYS 18 -2.945 -3.680 -1.317
95 HB3 LYS 18 2HB LYS 18 -2.451 -4.480 -2.804
96 HG2 LYS 18 1HG LYS 18 -4.727 -5.364 -3.066
97 HG3 LYS 18 2HG LYS 18 -5.212 -4.509 -1.600
98 HD2 LYS 18 1HD LYS 18 -4.821 -2.389 -2.611
99 HD3 LYS 18 2HD LYS 18 -4.024 -3.130 -4.001
100 HE2 LYS 18 1HE LYS 18 -6.213 -2.511 -4.694
101 HE3 LYS 18 2HE LYS 18 -6.201 -4.265 -4.519
102 HZ1 LYS 18 3HZ LYS 18 -7.397 -2.265 -2.693
103 HZ2 LYS 18 1HZ LYS 18 -7.136 -3.872 -2.231
104 HZ3 LYS 18 2HZ LYS 18 -8.174 -3.521 -3.519
105 H ALA 19 H ALA 19 -1.310 -6.423 -3.129
106 HA ALA 19 HA ALA 19 1.216 -5.999 -1.754
107 HB1 ALA 19 3HB ALA 19 0.341 -8.436 -1.446
108 HB2 ALA 19 1HB ALA 19 0.889 -8.639 -3.110
109 HB3 ALA 19 2HB ALA 19 2.032 -8.151 -1.858
110 H PHE 20 H PHE 20 2.966 -5.684 -3.143
111 HA PHE 20 HA PHE 20 2.378 -5.720 -6.021
112 HB2 PHE 20 1HB PHE 20 3.697 -3.441 -4.531
113 HB3 PHE 20 2HB PHE 20 3.495 -3.540 -6.277
114 HD1 PHE 20 HD2 PHE 20 1.427 -3.760 -3.178
115 HD2 PHE 20 HD1 PHE 20 1.731 -2.410 -7.204
116 HE1 PHE 20 HE2 PHE 20 -0.774 -2.679 -2.979
117 HE2 PHE 20 HE1 PHE 20 -0.469 -1.326 -7.010
118 HZ PHE 20 HZ PHE 20 -1.726 -1.460 -4.896
119 H SER 21 H SER 21 4.172 -5.996 -7.386
120 HA SER 21 HA SER 21 6.118 -7.766 -6.570
121 HB2 SER 21 1HB SER 21 5.458 -7.176 -8.950
122 HB3 SER 21 2HB SER 21 6.523 -5.777 -8.809
123 HG SER 21 HG SER 21 8.014 -7.130 -9.406
124 H SER 22 H SER 22 6.434 -4.245 -6.957
125 HA SER 22 HA SER 22 8.840 -4.370 -5.259
126 HB2 SER 22 1HB SER 22 8.266 -2.359 -7.448
127 HB3 SER 22 2HB SER 22 9.725 -2.439 -6.460
128 HG SER 22 HG SER 22 10.461 -3.937 -7.729
129 H LYS 23 H LYS 23 9.272 -2.328 -4.059
130 HA LYS 23 HA LYS 23 6.982 -1.578 -2.560
131 HB2 LYS 23 1HB LYS 23 9.323 -1.688 -1.673
132 HB3 LYS 23 2HB LYS 23 9.689 -0.233 -2.591
133 HG2 LYS 23 1HG LYS 23 7.788 0.867 -1.315
134 HG3 LYS 23 2HG LYS 23 7.834 -0.543 -0.253
135 HD2 LYS 23 1HD LYS 23 10.407 0.021 -0.176
136 HD3 LYS 23 2HD LYS 23 9.839 1.632 -0.622
137 HE2 LYS 23 1HE LYS 23 8.778 0.059 1.719
138 HE3 LYS 23 2HE LYS 23 10.078 1.243 1.840
139 HZ1 LYS 23 3HZ LYS 23 7.871 2.359 0.472
140 HZ2 LYS 23 1HZ LYS 23 8.597 2.869 1.912
141 HZ3 LYS 23 2HZ LYS 23 7.356 1.721 1.952
142 H SER 24 H SER 24 8.924 0.067 -5.020
143 HA SER 24 HA SER 24 7.925 2.608 -4.931
144 HB2 SER 24 1HB SER 24 9.655 1.568 -6.547
145 HB3 SER 24 2HB SER 24 8.268 1.211 -7.576
146 HG SER 24 HG SER 24 8.947 3.787 -6.593
147 H TYR 25 H TYR 25 6.573 0.007 -6.966
148 HA TYR 25 HA TYR 25 4.326 1.365 -7.857
149 HB2 TYR 25 1HB TYR 25 5.026 -1.515 -7.521
150 HB3 TYR 25 2HB TYR 25 3.348 -1.105 -7.860
151 HD1 TYR 25 HD1 TYR 25 3.223 0.830 -9.817
152 HD2 TYR 25 HD2 TYR 25 6.244 -2.133 -9.368
153 HE1 TYR 25 HE1 TYR 25 3.748 1.010 -12.213
154 HE2 TYR 25 HE2 TYR 25 6.777 -1.960 -11.763
155 HH TYR 25 HH TYR 25 6.019 -1.174 -13.766
156 H LEU 26 H LEU 26 4.733 -0.615 -4.945
157 HA LEU 26 HA LEU 26 2.102 -0.584 -4.039
158 HB2 LEU 26 1HB LEU 26 3.586 -2.038 -2.960
159 HB3 LEU 26 2HB LEU 26 4.743 -0.750 -2.628
160 HG LEU 26 HG LEU 26 3.156 0.190 -0.974
161 HD11 LEU 26 1HD1 LEU 26 1.459 -1.928 -2.078
162 HD12 LEU 26 2HD1 LEU 26 1.022 -0.421 -1.273
163 HD13 LEU 26 3HD1 LEU 26 1.468 -1.834 -0.317
164 HD21 LEU 26 3HD2 LEU 26 4.248 -2.581 -0.709
165 HD22 LEU 26 1HD2 LEU 26 3.338 -1.853 0.615
166 HD23 LEU 26 2HD2 LEU 26 4.810 -1.079 0.026
167 H LEU 27 H LEU 27 4.716 1.744 -3.499
168 HA LEU 27 HA LEU 27 3.448 3.409 -1.667
169 HB2 LEU 27 1HB LEU 27 5.526 3.887 -3.771
170 HB3 LEU 27 2HB LEU 27 4.908 5.219 -2.796
171 HG LEU 27 HG LEU 27 6.209 2.756 -1.643
172 HD11 LEU 27 1HD1 LEU 27 7.821 5.041 -1.300
173 HD12 LEU 27 2HD1 LEU 27 7.402 4.958 -3.010
174 HD13 LEU 27 3HD1 LEU 27 8.179 3.583 -2.225
175 HD21 LEU 27 3HD2 LEU 27 4.657 4.005 -0.173
176 HD22 LEU 27 1HD2 LEU 27 5.635 5.451 -0.419
177 HD23 LEU 27 2HD2 LEU 27 6.329 4.044 0.388
178 H VAL 28 H VAL 28 3.618 3.823 -5.208
179 HA VAL 28 HA VAL 28 2.020 6.033 -5.495
180 HB VAL 28 HB VAL 28 2.096 3.624 -7.317
181 HG11 VAL 28 1HG1 VAL 28 0.158 5.093 -7.725
182 HG12 VAL 28 2HG1 VAL 28 1.259 6.456 -7.932
183 HG13 VAL 28 3HG1 VAL 28 1.308 5.103 -9.062
184 HG21 VAL 28 3HG2 VAL 28 3.907 5.916 -6.867
185 HG22 VAL 28 1HG2 VAL 28 4.261 4.280 -7.422
186 HG23 VAL 28 2HG2 VAL 28 3.603 5.470 -8.546
187 H HIS 29 H HIS 29 1.033 2.698 -4.972
188 HA HIS 29 HA HIS 29 -1.722 3.046 -5.486
189 HB2 HIS 29 1HB HIS 29 -1.158 0.815 -5.454
190 HB3 HIS 29 2HB HIS 29 -0.060 1.001 -4.090
191 HD1 HIS 29 HD1 HIS 29 -3.721 0.625 -4.887
192 HD2 HIS 29 HD2 HIS 29 -1.174 0.535 -1.605
193 HE1 HIS 29 HE1 HIS 29 -5.114 -0.234 -2.977
194 H GLN 30 H GLN 30 0.114 3.047 -2.436
195 HA GLN 30 HA GLN 30 -1.844 3.380 -0.590
196 HB2 GLN 30 1HB GLN 30 0.933 4.420 -0.810
197 HB3 GLN 30 2HB GLN 30 -0.087 5.105 0.448
198 HG2 GLN 30 1HG GLN 30 -0.169 3.167 1.637
199 HG3 GLN 30 2HG GLN 30 0.022 2.152 0.209
200 HE21 GLN 30 1HE2 GLN 30 1.883 1.145 0.072
201 HE22 GLN 30 2HE2 GLN 30 3.383 1.668 0.750
202 H GLN 31 H GLN 31 -0.660 5.802 -2.843
203 HA GLN 31 HA GLN 31 -1.601 8.150 -1.890
204 HB2 GLN 31 1HB GLN 31 -1.720 7.056 -4.694
205 HB3 GLN 31 2HB GLN 31 -2.204 8.704 -4.315
206 HG2 GLN 31 1HG GLN 31 -0.021 9.283 -3.614
207 HG3 GLN 31 2HG GLN 31 0.500 7.599 -3.621
208 HE21 GLN 31 1HE2 GLN 31 1.315 10.152 -5.079
209 HE22 GLN 31 2HE2 GLN 31 1.417 9.660 -6.732
210 H THR 32 H THR 32 -3.539 5.560 -3.284
211 HA THR 32 HA THR 32 -5.979 6.813 -3.576
212 HB THR 32 HB THR 32 -7.032 4.620 -3.233
213 HG1 THR 32 HG1 THR 32 -6.082 3.241 -1.953
214 HG21 THR 32 3HG2 THR 32 -5.737 5.226 -5.341
215 HG22 THR 32 1HG2 THR 32 -6.036 3.511 -5.063
216 HG23 THR 32 2HG2 THR 32 -4.448 4.197 -4.717
217 H HIS 33 H HIS 33 -4.606 5.348 -0.650
218 HA HIS 33 HA HIS 33 -6.848 5.805 1.005
219 HB2 HIS 33 1HB HIS 33 -3.926 5.462 1.702
220 HB3 HIS 33 2HB HIS 33 -5.233 5.472 2.882
221 HD1 HIS 33 HD1 HIS 33 -7.250 3.602 1.886
222 HD2 HIS 33 HD2 HIS 33 -3.198 2.904 1.288
223 HE1 HIS 33 HE1 HIS 33 -7.046 1.128 1.484
224 H ALA 34 H ALA 34 -4.503 7.915 -0.267
225 HA ALA 34 HA ALA 34 -4.835 9.907 1.834
226 HB1 ALA 34 3HB ALA 34 -2.607 9.639 0.963
227 HB2 ALA 34 1HB ALA 34 -3.176 9.922 -0.683
228 HB3 ALA 34 2HB ALA 34 -3.218 11.228 0.502
229 H GLU 35 H GLU 35 -6.877 8.959 -0.333
230 HA GLU 35 HA GLU 35 -7.701 11.681 -1.099
231 HB2 GLU 35 1HB GLU 35 -7.550 9.190 -2.728
232 HB3 GLU 35 2HB GLU 35 -8.883 10.295 -3.036
233 HG2 GLU 35 1HG GLU 35 -7.322 12.095 -3.481
234 HG3 GLU 35 2HG GLU 35 -5.966 11.032 -3.108
235 H GLU 36 H GLU 36 -8.978 8.355 -0.870
236 HA GLU 36 HA GLU 36 -11.130 7.656 -0.401
237 HB2 GLU 36 1HB GLU 36 -9.820 7.912 1.778
238 HB3 GLU 36 2HB GLU 36 -10.735 9.391 2.030
239 HG2 GLU 36 1HG GLU 36 -11.830 7.691 3.245
240 HG3 GLU 36 2HG GLU 36 -12.824 8.024 1.827
241 H LYS 37 H LYS 37 -11.068 10.099 -1.985
242 HA LYS 37 HA LYS 37 -13.066 11.882 -0.970
243 HB2 LYS 37 1HB LYS 37 -12.981 12.894 -3.217
244 HB3 LYS 37 2HB LYS 37 -11.377 12.691 -2.522
245 HG2 LYS 37 1HG LYS 37 -11.494 10.412 -3.871
246 HG3 LYS 37 2HG LYS 37 -12.625 11.350 -4.850
247 HD2 LYS 37 1HD LYS 37 -9.836 12.247 -4.133
248 HD3 LYS 37 2HD LYS 37 -10.272 11.460 -5.652
249 HE2 LYS 37 1HE LYS 37 -11.690 13.934 -4.729
250 HE3 LYS 37 2HE LYS 37 -10.146 14.037 -5.574
251 HZ1 LYS 37 3HZ LYS 37 -11.637 12.322 -7.087
252 HZ2 LYS 37 1HZ LYS 37 -11.335 13.950 -7.432
253 HZ3 LYS 37 2HZ LYS 37 -12.749 13.506 -6.619
254 HA PRO 38 HA PRO 38 -16.749 9.849 -2.228
255 HB2 PRO 38 1HB PRO 38 -18.329 11.972 -2.837
256 HB3 PRO 38 2HB PRO 38 -17.896 11.541 -1.178
257 HG2 PRO 38 1HG PRO 38 -16.710 13.630 -2.965
258 HG3 PRO 38 2HG PRO 38 -17.123 13.734 -1.243
259 HD2 PRO 38 1HD PRO 38 -14.590 13.331 -2.112
260 HD3 PRO 38 2HD PRO 38 -15.196 12.654 -0.586
261 H SER 39 H SER 39 -14.731 11.323 -4.377
262 HA SER 39 HA SER 39 -15.901 11.912 -6.698
263 HB2 SER 39 1HB SER 39 -13.532 11.777 -6.676
264 HB3 SER 39 2HB SER 39 -13.556 10.068 -6.243
265 HG SER 39 HG SER 39 -13.916 9.542 -8.273
266 H GLY 40 H GLY 40 -17.881 11.063 -7.176
267 HA2 GLY 40 1HA GLY 40 -17.924 8.177 -7.812
268 HA3 GLY 40 2HA GLY 40 -19.292 8.994 -7.071
269 HA PRO 41 HA PRO 41 -20.930 9.604 -11.102
270 HB2 PRO 41 1HB PRO 41 -22.613 11.670 -10.581
271 HB3 PRO 41 2HB PRO 41 -22.938 10.012 -10.063
272 HG2 PRO 41 1HG PRO 41 -21.812 12.300 -8.495
273 HG3 PRO 41 2HG PRO 41 -23.028 11.103 -8.012
274 HD2 PRO 41 1HD PRO 41 -20.434 10.932 -7.256
275 HD3 PRO 41 2HD PRO 41 -21.442 9.498 -7.538
276 H SER 42 H SER 42 -20.124 10.601 -12.834
277 HA SER 42 HA SER 42 -18.914 13.265 -12.479
278 HB2 SER 42 1HB SER 42 -17.201 11.698 -13.058
279 HB3 SER 42 2HB SER 42 -18.185 11.003 -14.346
280 HG SER 42 HG SER 42 -17.110 13.630 -14.271
281 H SER 43 H SER 43 -19.491 14.906 -13.810
282 HA SER 43 HA SER 43 -21.913 15.180 -14.920
283 HB2 SER 43 1HB SER 43 -20.157 16.966 -14.769
284 HB3 SER 43 2HB SER 43 -19.433 16.309 -16.237
285 HG SER 43 HG SER 43 -21.399 18.045 -16.061
286 H GLY 44 H GLY 44 -19.114 13.762 -16.560
287 HA2 GLY 44 1HA GLY 44 -20.213 13.452 -19.105
288 HA3 GLY 44 2HA GLY 44 -18.966 12.422 -18.417
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -6.300 -24.617 -3.432
2 HA2 GLY 1 1HA GLY 1 -4.390 -25.829 -5.291
3 HA3 GLY 1 2HA GLY 1 -5.919 -25.077 -5.720
4 H SER 2 H SER 2 -5.259 -23.613 -7.206
5 HA SER 2 HA SER 2 -2.954 -22.180 -7.373
6 HB2 SER 2 1HB SER 2 -4.209 -20.481 -8.634
7 HB3 SER 2 2HB SER 2 -4.720 -22.109 -9.083
8 HG SER 2 HG SER 2 -6.630 -21.762 -8.224
9 H SER 3 H SER 3 -2.001 -21.323 -5.610
10 HA SER 3 HA SER 3 -3.201 -18.951 -4.460
11 HB2 SER 3 1HB SER 3 -3.143 -19.655 -2.180
12 HB3 SER 3 2HB SER 3 -3.999 -20.917 -3.065
13 HG SER 3 HG SER 3 -2.463 -22.273 -2.591
14 H GLY 4 H GLY 4 -1.657 -17.830 -2.970
15 HA2 GLY 4 1HA GLY 4 1.142 -18.593 -3.337
16 HA3 GLY 4 2HA GLY 4 0.640 -17.046 -4.002
17 H SER 5 H SER 5 2.518 -17.836 -1.783
18 HA SER 5 HA SER 5 1.245 -16.363 0.425
19 HB2 SER 5 1HB SER 5 1.977 -18.518 1.169
20 HB3 SER 5 2HB SER 5 3.549 -18.319 0.396
21 HG SER 5 HG SER 5 2.599 -16.658 2.489
22 H SER 6 H SER 6 1.634 -14.282 -0.341
23 HA SER 6 HA SER 6 2.865 -12.445 -1.010
24 HB2 SER 6 1HB SER 6 4.172 -13.411 1.534
25 HB3 SER 6 2HB SER 6 4.579 -11.867 0.786
26 HG SER 6 HG SER 6 2.431 -11.227 1.044
27 H GLY 7 H GLY 7 3.662 -14.630 -2.537
28 HA2 GLY 7 1HA GLY 7 6.525 -14.899 -2.491
29 HA3 GLY 7 2HA GLY 7 5.436 -15.530 -3.717
30 H GLU 8 H GLU 8 5.203 -14.458 -5.611
31 HA GLU 8 HA GLU 8 7.070 -12.870 -6.689
32 HB2 GLU 8 1HB GLU 8 5.019 -13.803 -7.832
33 HB3 GLU 8 2HB GLU 8 4.140 -12.401 -7.239
34 HG2 GLU 8 1HG GLU 8 5.943 -11.014 -8.416
35 HG3 GLU 8 2HG GLU 8 6.354 -12.512 -9.249
36 H LYS 9 H LYS 9 4.291 -11.686 -4.836
37 HA LYS 9 HA LYS 9 5.521 -9.014 -4.794
38 HB2 LYS 9 1HB LYS 9 2.676 -9.809 -4.143
39 HB3 LYS 9 2HB LYS 9 3.308 -8.168 -4.176
40 HG2 LYS 9 1HG LYS 9 3.560 -8.198 -6.513
41 HG3 LYS 9 2HG LYS 9 3.358 -9.950 -6.590
42 HD2 LYS 9 1HD LYS 9 1.075 -9.833 -6.315
43 HD3 LYS 9 2HD LYS 9 1.149 -8.281 -5.479
44 HE2 LYS 9 1HE LYS 9 1.431 -7.091 -7.472
45 HE3 LYS 9 2HE LYS 9 1.912 -8.530 -8.369
46 HZ1 LYS 9 3HZ LYS 9 -0.677 -8.901 -7.328
47 HZ2 LYS 9 1HZ LYS 9 -0.184 -8.857 -8.946
48 HZ3 LYS 9 2HZ LYS 9 -0.630 -7.428 -8.159
49 HA PRO 10 HA PRO 10 6.310 -10.677 -0.566
50 HB2 PRO 10 1HB PRO 10 8.733 -9.478 -0.316
51 HB3 PRO 10 2HB PRO 10 8.514 -11.047 -1.099
52 HG2 PRO 10 1HG PRO 10 8.807 -8.337 -2.336
53 HG3 PRO 10 2HG PRO 10 9.545 -9.874 -2.822
54 HD2 PRO 10 1HD PRO 10 7.377 -8.839 -4.071
55 HD3 PRO 10 2HD PRO 10 7.643 -10.587 -3.911
56 H PHE 11 H PHE 11 5.736 -7.685 -1.969
57 HA PHE 11 HA PHE 11 5.970 -6.243 0.577
58 HB2 PHE 11 1HB PHE 11 5.779 -5.346 -2.287
59 HB3 PHE 11 2HB PHE 11 5.422 -4.236 -0.968
60 HD1 PHE 11 HD1 PHE 11 8.053 -6.443 -2.356
61 HD2 PHE 11 HD2 PHE 11 7.140 -3.154 0.188
62 HE1 PHE 11 HE1 PHE 11 10.455 -5.966 -2.116
63 HE2 PHE 11 HE2 PHE 11 9.540 -2.672 0.431
64 HZ PHE 11 HZ PHE 11 11.201 -4.078 -0.722
65 H GLY 12 H GLY 12 4.219 -5.813 1.751
66 HA2 GLY 12 1HA GLY 12 1.586 -5.956 0.415
67 HA3 GLY 12 2HA GLY 12 1.872 -6.651 2.004
68 H CYS 13 H CYS 13 0.407 -4.177 0.565
69 HA CYS 13 HA CYS 13 1.168 -1.817 1.722
70 HB2 CYS 13 1HB CYS 13 -0.734 -2.168 0.108
71 HB3 CYS 13 2HB CYS 13 -1.710 -2.704 1.472
72 H SER 14 H SER 14 0.157 -0.621 3.544
73 HA SER 14 HA SER 14 0.072 -2.350 5.905
74 HB2 SER 14 1HB SER 14 0.378 -0.181 7.154
75 HB3 SER 14 2HB SER 14 1.704 -0.596 6.068
76 HG SER 14 HG SER 14 0.056 1.555 6.029
77 H CYS 15 H CYS 15 -1.762 0.181 4.264
78 HA CYS 15 HA CYS 15 -3.845 0.308 6.200
79 HB2 CYS 15 1HB CYS 15 -3.642 1.228 3.335
80 HB3 CYS 15 2HB CYS 15 -5.098 1.456 4.296
81 HG CYS 15 HG CYS 15 -3.593 3.852 4.147
82 H CYS 16 H CYS 16 -3.489 -1.353 3.087
83 HA CYS 16 HA CYS 16 -5.923 -2.891 3.707
84 HB2 CYS 16 1HB CYS 16 -6.044 -3.363 1.281
85 HB3 CYS 16 2HB CYS 16 -6.119 -1.639 1.630
86 H GLU 17 H GLU 17 -5.717 -5.074 2.229
87 HA GLU 17 HA GLU 17 -3.305 -6.394 3.272
88 HB2 GLU 17 1HB GLU 17 -6.038 -7.481 2.592
89 HB3 GLU 17 2HB GLU 17 -4.660 -8.505 2.970
90 HG2 GLU 17 1HG GLU 17 -5.617 -6.374 4.848
91 HG3 GLU 17 2HG GLU 17 -6.297 -8.000 4.844
92 H LYS 18 H LYS 18 -3.500 -4.883 0.747
93 HA LYS 18 HA LYS 18 -3.411 -6.891 -1.338
94 HB2 LYS 18 1HB LYS 18 -3.064 -3.901 -1.299
95 HB3 LYS 18 2HB LYS 18 -2.719 -4.850 -2.739
96 HG2 LYS 18 1HG LYS 18 -4.952 -5.489 -2.995
97 HG3 LYS 18 2HG LYS 18 -5.365 -5.027 -1.342
98 HD2 LYS 18 1HD LYS 18 -5.188 -2.709 -1.864
99 HD3 LYS 18 2HD LYS 18 -4.473 -3.056 -3.440
100 HE2 LYS 18 1HE LYS 18 -7.241 -3.943 -2.658
101 HE3 LYS 18 2HE LYS 18 -6.915 -2.398 -3.442
102 HZ1 LYS 18 3HZ LYS 18 -7.549 -4.176 -5.004
103 HZ2 LYS 18 1HZ LYS 18 -6.161 -5.040 -4.567
104 HZ3 LYS 18 2HZ LYS 18 -6.016 -3.538 -5.330
105 H ALA 19 H ALA 19 -1.485 -6.642 -2.936
106 HA ALA 19 HA ALA 19 1.052 -6.228 -1.550
107 HB1 ALA 19 3HB ALA 19 1.891 -8.364 -1.850
108 HB2 ALA 19 1HB ALA 19 0.218 -8.674 -1.386
109 HB3 ALA 19 2HB ALA 19 0.696 -8.772 -3.081
110 H PHE 20 H PHE 20 2.868 -6.032 -2.971
111 HA PHE 20 HA PHE 20 2.241 -5.772 -5.821
112 HB2 PHE 20 1HB PHE 20 3.640 -3.633 -4.200
113 HB3 PHE 20 2HB PHE 20 3.373 -3.599 -5.940
114 HD1 PHE 20 HD2 PHE 20 1.488 -3.873 -2.738
115 HD2 PHE 20 HD1 PHE 20 1.526 -2.502 -6.767
116 HE1 PHE 20 HE2 PHE 20 -0.679 -2.766 -2.378
117 HE2 PHE 20 HE1 PHE 20 -0.641 -1.392 -6.414
118 HZ PHE 20 HZ PHE 20 -1.747 -1.524 -4.217
119 H SER 21 H SER 21 4.119 -5.765 -7.202
120 HA SER 21 HA SER 21 6.064 -7.655 -6.412
121 HB2 SER 21 1HB SER 21 5.381 -7.413 -8.748
122 HB3 SER 21 2HB SER 21 6.044 -5.780 -8.790
123 HG SER 21 HG SER 21 8.089 -6.916 -8.138
124 H SER 22 H SER 22 6.385 -4.182 -7.157
125 HA SER 22 HA SER 22 8.838 -4.161 -5.523
126 HB2 SER 22 1HB SER 22 9.507 -3.648 -7.734
127 HB3 SER 22 2HB SER 22 8.109 -2.607 -8.002
128 HG SER 22 HG SER 22 10.465 -1.840 -7.251
129 H LYS 23 H LYS 23 9.257 -2.248 -4.279
130 HA LYS 23 HA LYS 23 7.051 -1.340 -2.812
131 HB2 LYS 23 1HB LYS 23 9.311 -1.362 -1.893
132 HB3 LYS 23 2HB LYS 23 9.818 -0.146 -3.057
133 HG2 LYS 23 1HG LYS 23 8.127 1.399 -2.037
134 HG3 LYS 23 2HG LYS 23 7.897 0.191 -0.770
135 HD2 LYS 23 1HD LYS 23 10.670 1.075 -1.389
136 HD3 LYS 23 2HD LYS 23 9.621 2.179 -0.496
137 HE2 LYS 23 1HE LYS 23 10.118 -0.688 0.292
138 HE3 LYS 23 2HE LYS 23 11.026 0.681 0.933
139 HZ1 LYS 23 3HZ LYS 23 9.051 1.569 1.894
140 HZ2 LYS 23 1HZ LYS 23 9.156 -0.055 2.357
141 HZ3 LYS 23 2HZ LYS 23 8.078 0.409 1.139
142 H SER 24 H SER 24 9.018 0.364 -5.244
143 HA SER 24 HA SER 24 7.980 2.829 -5.318
144 HB2 SER 24 1HB SER 24 9.560 1.568 -7.009
145 HB3 SER 24 2HB SER 24 8.076 1.399 -7.948
146 HG SER 24 HG SER 24 9.620 3.617 -7.485
147 H TYR 25 H TYR 25 6.422 0.030 -6.867
148 HA TYR 25 HA TYR 25 4.138 1.427 -7.754
149 HB2 TYR 25 1HB TYR 25 4.732 -1.483 -7.279
150 HB3 TYR 25 2HB TYR 25 3.127 -0.953 -7.772
151 HD1 TYR 25 HD1 TYR 25 2.949 0.415 -9.935
152 HD2 TYR 25 HD2 TYR 25 6.403 -1.833 -8.875
153 HE1 TYR 25 HE1 TYR 25 3.669 0.423 -12.287
154 HE2 TYR 25 HE2 TYR 25 7.132 -1.830 -11.224
155 HH TYR 25 HH TYR 25 5.093 -0.859 -13.781
156 H LEU 26 H LEU 26 4.660 -0.632 -4.899
157 HA LEU 26 HA LEU 26 2.132 -0.493 -3.788
158 HB2 LEU 26 1HB LEU 26 3.658 -1.984 -2.818
159 HB3 LEU 26 2HB LEU 26 4.861 -0.720 -2.564
160 HG LEU 26 HG LEU 26 3.404 0.250 -0.808
161 HD11 LEU 26 1HD1 LEU 26 1.819 -2.232 -0.622
162 HD12 LEU 26 2HD1 LEU 26 1.385 -1.121 -1.920
163 HD13 LEU 26 3HD1 LEU 26 1.377 -0.566 -0.246
164 HD21 LEU 26 3HD2 LEU 26 4.297 -2.611 -0.519
165 HD22 LEU 26 1HD2 LEU 26 3.753 -1.620 0.835
166 HD23 LEU 26 2HD2 LEU 26 5.183 -1.148 -0.085
167 H LEU 27 H LEU 27 4.810 1.795 -3.514
168 HA LEU 27 HA LEU 27 3.683 3.488 -1.585
169 HB2 LEU 27 1HB LEU 27 5.608 4.078 -3.825
170 HB3 LEU 27 2HB LEU 27 5.210 5.216 -2.540
171 HG LEU 27 HG LEU 27 6.398 2.511 -1.976
172 HD11 LEU 27 1HD1 LEU 27 8.208 3.250 -3.086
173 HD12 LEU 27 2HD1 LEU 27 8.462 4.218 -1.635
174 HD13 LEU 27 3HD1 LEU 27 7.680 4.933 -3.044
175 HD21 LEU 27 3HD2 LEU 27 5.685 4.916 -0.432
176 HD22 LEU 27 1HD2 LEU 27 7.244 4.189 -0.042
177 HD23 LEU 27 2HD2 LEU 27 5.770 3.225 0.067
178 H VAL 28 H VAL 28 3.669 3.769 -5.137
179 HA VAL 28 HA VAL 28 2.138 6.077 -5.348
180 HB VAL 28 HB VAL 28 2.160 3.711 -7.227
181 HG11 VAL 28 1HG1 VAL 28 1.371 6.574 -7.752
182 HG12 VAL 28 2HG1 VAL 28 1.394 5.259 -8.928
183 HG13 VAL 28 3HG1 VAL 28 0.251 5.223 -7.586
184 HG21 VAL 28 3HG2 VAL 28 3.650 6.040 -8.063
185 HG22 VAL 28 1HG2 VAL 28 4.234 5.427 -6.516
186 HG23 VAL 28 2HG2 VAL 28 4.174 4.362 -7.921
187 H HIS 29 H HIS 29 1.099 2.703 -5.088
188 HA HIS 29 HA HIS 29 -1.633 3.068 -5.510
189 HB2 HIS 29 1HB HIS 29 -1.066 0.838 -5.478
190 HB3 HIS 29 2HB HIS 29 0.021 1.023 -4.105
191 HD1 HIS 29 HD1 HIS 29 -3.651 0.712 -4.911
192 HD2 HIS 29 HD2 HIS 29 -1.090 0.483 -1.648
193 HE1 HIS 29 HE1 HIS 29 -5.052 -0.169 -3.018
194 H GLN 30 H GLN 30 0.210 3.128 -2.471
195 HA GLN 30 HA GLN 30 -1.767 3.438 -0.626
196 HB2 GLN 30 1HB GLN 30 1.009 4.486 -0.834
197 HB3 GLN 30 2HB GLN 30 -0.019 5.161 0.423
198 HG2 GLN 30 1HG GLN 30 -0.099 3.216 1.602
199 HG3 GLN 30 2HG GLN 30 0.108 2.209 0.170
200 HE21 GLN 30 1HE2 GLN 30 1.990 1.242 -0.005
201 HE22 GLN 30 2HE2 GLN 30 3.477 1.762 0.703
202 H GLN 31 H GLN 31 -0.500 5.907 -2.803
203 HA GLN 31 HA GLN 31 -1.515 8.223 -1.846
204 HB2 GLN 31 1HB GLN 31 -1.618 7.263 -4.710
205 HB3 GLN 31 2HB GLN 31 -1.872 8.930 -4.213
206 HG2 GLN 31 1HG GLN 31 0.476 8.565 -3.058
207 HG3 GLN 31 2HG GLN 31 0.625 7.336 -4.313
208 HE21 GLN 31 1HE2 GLN 31 0.735 7.954 -6.458
209 HE22 GLN 31 2HE2 GLN 31 1.026 9.587 -6.940
210 H THR 32 H THR 32 -3.351 5.710 -3.525
211 HA THR 32 HA THR 32 -5.783 6.980 -3.832
212 HB THR 32 HB THR 32 -6.835 4.763 -3.757
213 HG1 THR 32 HG1 THR 32 -5.342 2.957 -3.328
214 HG21 THR 32 3HG2 THR 32 -4.782 5.592 -5.487
215 HG22 THR 32 1HG2 THR 32 -6.049 4.410 -5.813
216 HG23 THR 32 2HG2 THR 32 -4.493 3.881 -5.172
217 H HIS 33 H HIS 33 -4.473 5.378 -0.966
218 HA HIS 33 HA HIS 33 -6.773 5.474 0.631
219 HB2 HIS 33 1HB HIS 33 -3.834 5.378 1.249
220 HB3 HIS 33 2HB HIS 33 -5.019 5.513 2.544
221 HD1 HIS 33 HD1 HIS 33 -7.088 3.545 2.024
222 HD2 HIS 33 HD2 HIS 33 -3.142 2.794 0.964
223 HE1 HIS 33 HE1 HIS 33 -6.904 1.044 1.847
224 H ALA 34 H ALA 34 -4.211 7.844 0.095
225 HA ALA 34 HA ALA 34 -4.769 9.690 2.061
226 HB1 ALA 34 3HB ALA 34 -3.963 10.288 -0.783
227 HB2 ALA 34 1HB ALA 34 -3.783 11.369 0.599
228 HB3 ALA 34 2HB ALA 34 -2.866 9.863 0.532
229 H GLU 35 H GLU 35 -6.571 8.974 -0.833
230 HA GLU 35 HA GLU 35 -8.205 11.348 -0.669
231 HB2 GLU 35 1HB GLU 35 -7.686 10.283 -2.838
232 HB3 GLU 35 2HB GLU 35 -8.574 8.852 -2.334
233 HG2 GLU 35 1HG GLU 35 -10.509 10.608 -1.976
234 HG3 GLU 35 2HG GLU 35 -9.579 11.515 -3.167
235 H GLU 36 H GLU 36 -8.862 7.853 -0.359
236 HA GLU 36 HA GLU 36 -11.465 7.915 0.458
237 HB2 GLU 36 1HB GLU 36 -9.232 6.118 1.404
238 HB3 GLU 36 2HB GLU 36 -10.922 5.843 1.799
239 HG2 GLU 36 1HG GLU 36 -10.030 6.111 -1.043
240 HG3 GLU 36 2HG GLU 36 -9.893 4.579 -0.182
241 H LYS 37 H LYS 37 -8.678 8.946 2.232
242 HA LYS 37 HA LYS 37 -8.381 9.598 4.422
243 HB2 LYS 37 1HB LYS 37 -9.750 11.405 3.049
244 HB3 LYS 37 2HB LYS 37 -11.005 11.007 4.216
245 HG2 LYS 37 1HG LYS 37 -10.004 12.720 5.316
246 HG3 LYS 37 2HG LYS 37 -9.029 11.384 5.931
247 HD2 LYS 37 1HD LYS 37 -8.222 12.870 3.455
248 HD3 LYS 37 2HD LYS 37 -7.830 13.498 5.057
249 HE2 LYS 37 1HE LYS 37 -6.894 11.116 5.480
250 HE3 LYS 37 2HE LYS 37 -6.892 10.988 3.722
251 HZ1 LYS 37 3HZ LYS 37 -4.887 12.019 5.189
252 HZ2 LYS 37 1HZ LYS 37 -5.718 13.420 4.732
253 HZ3 LYS 37 2HZ LYS 37 -5.147 12.352 3.551
254 HA PRO 38 HA PRO 38 -11.729 6.656 6.038
255 HB2 PRO 38 1HB PRO 38 -10.111 4.535 6.541
256 HB3 PRO 38 2HB PRO 38 -10.936 4.769 4.995
257 HG2 PRO 38 1HG PRO 38 -8.104 5.387 5.743
258 HG3 PRO 38 2HG PRO 38 -8.733 4.640 4.263
259 HD2 PRO 38 1HD PRO 38 -8.025 7.251 4.389
260 HD3 PRO 38 2HD PRO 38 -9.337 6.667 3.346
261 H SER 39 H SER 39 -8.351 7.116 7.029
262 HA SER 39 HA SER 39 -9.093 8.068 9.604
263 HB2 SER 39 1HB SER 39 -9.482 5.702 10.054
264 HB3 SER 39 2HB SER 39 -7.872 5.301 9.458
265 HG SER 39 HG SER 39 -7.071 6.684 11.179
266 H GLY 40 H GLY 40 -7.635 9.601 9.942
267 HA2 GLY 40 1HA GLY 40 -4.807 9.004 9.763
268 HA3 GLY 40 2HA GLY 40 -5.378 10.174 8.582
269 HA PRO 41 HA PRO 41 -4.671 11.971 13.002
270 HB2 PRO 41 1HB PRO 41 -2.026 12.577 12.927
271 HB3 PRO 41 2HB PRO 41 -2.643 11.048 13.563
272 HG2 PRO 41 1HG PRO 41 -1.478 11.648 10.871
273 HG3 PRO 41 2HG PRO 41 -1.194 10.252 11.927
274 HD2 PRO 41 1HD PRO 41 -2.868 10.154 9.801
275 HD3 PRO 41 2HD PRO 41 -3.142 9.205 11.276
276 H SER 42 H SER 42 -3.391 12.752 9.826
277 HA SER 42 HA SER 42 -2.893 15.477 10.176
278 HB2 SER 42 1HB SER 42 -3.724 13.890 7.745
279 HB3 SER 42 2HB SER 42 -3.336 15.609 7.670
280 HG SER 42 HG SER 42 -1.315 14.784 8.860
281 H SER 43 H SER 43 -4.181 17.254 9.106
282 HA SER 43 HA SER 43 -6.709 17.448 10.351
283 HB2 SER 43 1HB SER 43 -5.075 19.332 9.648
284 HB3 SER 43 2HB SER 43 -5.856 19.216 8.071
285 HG SER 43 HG SER 43 -6.778 20.774 9.599
286 H GLY 44 H GLY 44 -8.759 17.953 9.220
287 HA2 GLY 44 1HA GLY 44 -9.656 15.876 7.647
288 HA3 GLY 44 2HA GLY 44 -10.430 17.452 7.723
Start of MODEL 5
1 H1 GLY 1 H GLY 1 9.401 -21.905 -3.558
2 HA2 GLY 1 1HA GLY 1 10.480 -24.639 -3.609
3 HA3 GLY 1 2HA GLY 1 10.508 -23.742 -2.099
4 H SER 2 H SER 2 8.341 -22.851 -1.402
5 HA SER 2 HA SER 2 6.149 -24.649 -2.183
6 HB2 SER 2 1HB SER 2 5.478 -24.753 0.229
7 HB3 SER 2 2HB SER 2 7.013 -25.549 -0.115
8 HG SER 2 HG SER 2 7.807 -23.237 0.458
9 H SER 3 H SER 3 5.132 -23.046 -3.365
10 HA SER 3 HA SER 3 3.654 -21.116 -1.792
11 HB2 SER 3 1HB SER 3 5.594 -20.273 -3.949
12 HB3 SER 3 2HB SER 3 4.288 -19.238 -3.372
13 HG SER 3 HG SER 3 5.248 -19.637 -1.214
14 H GLY 4 H GLY 4 2.055 -19.913 -3.204
15 HA2 GLY 4 1HA GLY 4 0.689 -21.835 -4.841
16 HA3 GLY 4 2HA GLY 4 0.158 -20.197 -4.492
17 H SER 5 H SER 5 -0.492 -20.015 -6.698
18 HA SER 5 HA SER 5 1.721 -19.838 -8.625
19 HB2 SER 5 1HB SER 5 0.135 -20.156 -10.367
20 HB3 SER 5 2HB SER 5 -0.305 -21.312 -9.110
21 HG SER 5 HG SER 5 -1.549 -18.858 -9.758
22 H SER 6 H SER 6 1.599 -17.779 -6.829
23 HA SER 6 HA SER 6 0.728 -15.553 -8.540
24 HB2 SER 6 1HB SER 6 -0.021 -14.305 -6.565
25 HB3 SER 6 2HB SER 6 -0.914 -15.817 -6.720
26 HG SER 6 HG SER 6 1.000 -16.540 -5.253
27 H GLY 7 H GLY 7 3.281 -16.503 -8.602
28 HA2 GLY 7 1HA GLY 7 5.497 -16.013 -8.136
29 HA3 GLY 7 2HA GLY 7 4.915 -14.372 -8.371
30 H GLU 8 H GLU 8 6.064 -13.282 -6.866
31 HA GLU 8 HA GLU 8 5.487 -13.927 -4.068
32 HB2 GLU 8 1HB GLU 8 7.927 -13.282 -3.574
33 HB3 GLU 8 2HB GLU 8 7.614 -14.888 -4.216
34 HG2 GLU 8 1HG GLU 8 8.370 -12.581 -5.978
35 HG3 GLU 8 2HG GLU 8 9.570 -13.608 -5.195
36 H LYS 9 H LYS 9 4.912 -12.194 -2.924
37 HA LYS 9 HA LYS 9 5.715 -9.533 -3.884
38 HB2 LYS 9 1HB LYS 9 2.946 -10.402 -3.044
39 HB3 LYS 9 2HB LYS 9 3.425 -8.721 -3.240
40 HG2 LYS 9 1HG LYS 9 4.055 -9.322 -5.618
41 HG3 LYS 9 2HG LYS 9 3.212 -10.849 -5.347
42 HD2 LYS 9 1HD LYS 9 1.255 -9.332 -4.562
43 HD3 LYS 9 2HD LYS 9 2.110 -8.068 -5.449
44 HE2 LYS 9 1HE LYS 9 2.155 -9.917 -7.334
45 HE3 LYS 9 2HE LYS 9 0.751 -10.518 -6.453
46 HZ1 LYS 9 3HZ LYS 9 0.757 -8.530 -8.330
47 HZ2 LYS 9 1HZ LYS 9 0.623 -7.698 -6.863
48 HZ3 LYS 9 2HZ LYS 9 -0.504 -8.894 -7.263
49 HA PRO 10 HA PRO 10 6.766 -9.961 0.577
50 HB2 PRO 10 1HB PRO 10 9.066 -8.532 0.387
51 HB3 PRO 10 2HB PRO 10 8.979 -10.262 0.035
52 HG2 PRO 10 1HG PRO 10 8.966 -7.940 -1.855
53 HG3 PRO 10 2HG PRO 10 9.837 -9.480 -1.980
54 HD2 PRO 10 1HD PRO 10 7.541 -8.992 -3.329
55 HD3 PRO 10 2HD PRO 10 7.982 -10.611 -2.751
56 H PHE 11 H PHE 11 5.650 -7.585 -1.409
57 HA PHE 11 HA PHE 11 5.784 -5.545 0.714
58 HB2 PHE 11 1HB PHE 11 5.480 -5.130 -2.268
59 HB3 PHE 11 2HB PHE 11 5.492 -3.854 -1.056
60 HD1 PHE 11 HD1 PHE 11 7.513 -6.308 -2.862
61 HD2 PHE 11 HD2 PHE 11 7.540 -3.170 0.013
62 HE1 PHE 11 HE1 PHE 11 9.963 -6.168 -3.043
63 HE2 PHE 11 HE2 PHE 11 9.989 -3.024 -0.164
64 HZ PHE 11 HZ PHE 11 11.204 -4.524 -1.694
65 H GLY 12 H GLY 12 3.928 -5.560 1.808
66 HA2 GLY 12 1HA GLY 12 1.419 -5.724 0.253
67 HA3 GLY 12 2HA GLY 12 1.608 -6.486 1.825
68 H CYS 13 H CYS 13 -0.063 -4.178 0.563
69 HA CYS 13 HA CYS 13 0.578 -1.799 1.895
70 HB2 CYS 13 1HB CYS 13 -1.026 -1.878 0.051
71 HB3 CYS 13 2HB CYS 13 -2.131 -2.836 1.032
72 H SER 14 H SER 14 -0.656 -0.786 3.667
73 HA SER 14 HA SER 14 -1.046 -2.718 5.835
74 HB2 SER 14 1HB SER 14 -0.485 0.249 5.817
75 HB3 SER 14 2HB SER 14 -0.940 -0.621 7.282
76 HG SER 14 HG SER 14 1.376 -0.402 6.874
77 H CYS 15 H CYS 15 -2.661 -0.121 4.104
78 HA CYS 15 HA CYS 15 -4.955 -0.015 5.781
79 HB2 CYS 15 1HB CYS 15 -4.260 1.026 3.063
80 HB3 CYS 15 2HB CYS 15 -5.942 1.042 3.580
81 HG CYS 15 HG CYS 15 -5.495 2.657 5.806
82 H CYS 16 H CYS 16 -4.224 -1.671 2.736
83 HA CYS 16 HA CYS 16 -6.679 -3.260 3.103
84 HB2 CYS 16 1HB CYS 16 -6.700 -3.591 0.666
85 HB3 CYS 16 2HB CYS 16 -6.785 -1.883 1.084
86 H GLU 17 H GLU 17 -6.318 -5.350 1.515
87 HA GLU 17 HA GLU 17 -3.958 -6.670 2.659
88 HB2 GLU 17 1HB GLU 17 -6.666 -7.624 1.830
89 HB3 GLU 17 2HB GLU 17 -5.320 -8.755 1.791
90 HG2 GLU 17 1HG GLU 17 -6.472 -8.972 3.878
91 HG3 GLU 17 2HG GLU 17 -4.882 -8.269 4.167
92 H LYS 18 H LYS 18 -3.913 -4.960 0.273
93 HA LYS 18 HA LYS 18 -3.611 -6.726 -1.986
94 HB2 LYS 18 1HB LYS 18 -3.138 -3.784 -1.555
95 HB3 LYS 18 2HB LYS 18 -2.671 -4.584 -3.051
96 HG2 LYS 18 1HG LYS 18 -5.030 -5.318 -3.324
97 HG3 LYS 18 2HG LYS 18 -5.446 -4.348 -1.909
98 HD2 LYS 18 1HD LYS 18 -5.932 -2.949 -3.716
99 HD3 LYS 18 2HD LYS 18 -4.346 -2.399 -3.168
100 HE2 LYS 18 1HE LYS 18 -3.249 -3.525 -4.948
101 HE3 LYS 18 2HE LYS 18 -4.714 -4.404 -5.383
102 HZ1 LYS 18 3HZ LYS 18 -5.726 -2.331 -6.070
103 HZ2 LYS 18 1HZ LYS 18 -4.271 -2.568 -6.901
104 HZ3 LYS 18 2HZ LYS 18 -4.343 -1.467 -5.620
105 H ALA 19 H ALA 19 -1.518 -6.491 -3.309
106 HA ALA 19 HA ALA 19 0.891 -6.201 -1.722
107 HB1 ALA 19 3HB ALA 19 0.166 -8.860 -2.945
108 HB2 ALA 19 1HB ALA 19 1.717 -8.456 -2.209
109 HB3 ALA 19 2HB ALA 19 0.255 -8.494 -1.222
110 H PHE 20 H PHE 20 2.734 -5.873 -2.952
111 HA PHE 20 HA PHE 20 2.394 -5.910 -5.872
112 HB2 PHE 20 1HB PHE 20 3.638 -3.675 -4.256
113 HB3 PHE 20 2HB PHE 20 3.609 -3.763 -6.014
114 HD1 PHE 20 HD2 PHE 20 1.508 -3.409 -3.002
115 HD2 PHE 20 HD1 PHE 20 1.707 -3.102 -7.243
116 HE1 PHE 20 HE2 PHE 20 -0.669 -2.264 -3.018
117 HE2 PHE 20 HE1 PHE 20 -0.471 -1.955 -7.265
118 HZ PHE 20 HZ PHE 20 -1.662 -1.536 -5.151
119 H SER 21 H SER 21 4.491 -5.784 -7.044
120 HA SER 21 HA SER 21 6.379 -7.599 -5.805
121 HB2 SER 21 1HB SER 21 5.766 -8.036 -8.105
122 HB3 SER 21 2HB SER 21 6.246 -6.409 -8.585
123 HG SER 21 HG SER 21 8.400 -7.002 -7.897
124 H SER 22 H SER 22 6.389 -4.310 -7.129
125 HA SER 22 HA SER 22 9.037 -3.889 -5.915
126 HB2 SER 22 1HB SER 22 7.659 -2.668 -8.282
127 HB3 SER 22 2HB SER 22 8.909 -1.757 -7.436
128 HG SER 22 HG SER 22 9.132 -4.231 -8.780
129 H LYS 23 H LYS 23 9.362 -2.291 -4.440
130 HA LYS 23 HA LYS 23 7.278 -1.444 -2.816
131 HB2 LYS 23 1HB LYS 23 9.602 -1.460 -2.074
132 HB3 LYS 23 2HB LYS 23 9.996 -0.178 -3.213
133 HG2 LYS 23 1HG LYS 23 8.638 1.389 -2.012
134 HG3 LYS 23 2HG LYS 23 8.036 0.116 -0.948
135 HD2 LYS 23 1HD LYS 23 9.695 1.208 0.304
136 HD3 LYS 23 2HD LYS 23 10.476 -0.257 -0.296
137 HE2 LYS 23 1HE LYS 23 12.091 1.266 -0.817
138 HE3 LYS 23 2HE LYS 23 11.131 1.351 -2.294
139 HZ1 LYS 23 3HZ LYS 23 11.817 3.474 -0.815
140 HZ2 LYS 23 1HZ LYS 23 10.281 3.141 -0.188
141 HZ3 LYS 23 2HZ LYS 23 10.475 3.430 -1.843
142 H SER 24 H SER 24 9.054 0.469 -5.245
143 HA SER 24 HA SER 24 7.856 2.881 -5.084
144 HB2 SER 24 1HB SER 24 8.331 1.439 -7.704
145 HB3 SER 24 2HB SER 24 8.255 3.185 -7.464
146 HG SER 24 HG SER 24 10.233 3.172 -6.721
147 H TYR 25 H TYR 25 6.545 0.161 -6.979
148 HA TYR 25 HA TYR 25 4.210 1.367 -7.855
149 HB2 TYR 25 1HB TYR 25 5.039 -1.453 -7.356
150 HB3 TYR 25 2HB TYR 25 3.332 -1.134 -7.641
151 HD1 TYR 25 HD1 TYR 25 3.387 0.976 -9.654
152 HD2 TYR 25 HD2 TYR 25 5.846 -2.475 -9.277
153 HE1 TYR 25 HE1 TYR 25 3.795 1.010 -12.079
154 HE2 TYR 25 HE2 TYR 25 6.262 -2.451 -11.701
155 HH TYR 25 HH TYR 25 4.499 -0.385 -13.846
156 H LEU 26 H LEU 26 4.732 -0.524 -4.888
157 HA LEU 26 HA LEU 26 2.158 -0.453 -3.868
158 HB2 LEU 26 1HB LEU 26 3.728 -1.833 -2.795
159 HB3 LEU 26 2HB LEU 26 4.848 -0.496 -2.537
160 HG LEU 26 HG LEU 26 3.292 0.447 -0.870
161 HD11 LEU 26 1HD1 LEU 26 1.233 -0.549 -1.809
162 HD12 LEU 26 2HD1 LEU 26 1.410 -0.826 -0.077
163 HD13 LEU 26 3HD1 LEU 26 1.759 -2.125 -1.217
164 HD21 LEU 26 3HD2 LEU 26 4.686 -0.661 0.465
165 HD22 LEU 26 1HD2 LEU 26 4.783 -2.025 -0.650
166 HD23 LEU 26 2HD2 LEU 26 3.472 -1.940 0.528
167 H LEU 27 H LEU 27 4.784 1.895 -3.402
168 HA LEU 27 HA LEU 27 3.525 3.632 -1.653
169 HB2 LEU 27 1HB LEU 27 5.373 4.384 -3.912
170 HB3 LEU 27 2HB LEU 27 5.034 5.348 -2.476
171 HG LEU 27 HG LEU 27 6.382 2.652 -2.412
172 HD11 LEU 27 1HD1 LEU 27 7.472 4.909 -3.494
173 HD12 LEU 27 2HD1 LEU 27 8.381 3.590 -2.759
174 HD13 LEU 27 3HD1 LEU 27 7.982 5.022 -1.810
175 HD21 LEU 27 3HD2 LEU 27 6.167 4.835 -0.340
176 HD22 LEU 27 1HD2 LEU 27 6.988 3.285 -0.151
177 HD23 LEU 27 2HD2 LEU 27 5.236 3.336 -0.347
178 H VAL 28 H VAL 28 3.680 3.980 -5.203
179 HA VAL 28 HA VAL 28 1.998 6.141 -5.491
180 HB VAL 28 HB VAL 28 2.181 3.771 -7.356
181 HG11 VAL 28 1HG1 VAL 28 1.511 6.599 -8.107
182 HG12 VAL 28 2HG1 VAL 28 1.287 5.123 -9.048
183 HG13 VAL 28 3HG1 VAL 28 0.265 5.440 -7.645
184 HG21 VAL 28 3HG2 VAL 28 4.377 4.541 -7.096
185 HG22 VAL 28 1HG2 VAL 28 3.800 5.356 -8.550
186 HG23 VAL 28 2HG2 VAL 28 3.872 6.229 -7.019
187 H HIS 29 H HIS 29 1.181 2.798 -4.879
188 HA HIS 29 HA HIS 29 -1.594 3.029 -5.484
189 HB2 HIS 29 1HB HIS 29 -0.939 0.823 -5.536
190 HB3 HIS 29 2HB HIS 29 0.145 1.000 -4.160
191 HD1 HIS 29 HD1 HIS 29 -3.568 0.770 -4.899
192 HD2 HIS 29 HD2 HIS 29 -0.884 0.130 -1.792
193 HE1 HIS 29 HE1 HIS 29 -4.913 -0.286 -3.055
194 H GLN 30 H GLN 30 0.177 2.859 -2.394
195 HA GLN 30 HA GLN 30 -1.874 3.141 -0.618
196 HB2 GLN 30 1HB GLN 30 0.725 4.647 -0.339
197 HB3 GLN 30 2HB GLN 30 -0.303 4.031 0.948
198 HG2 GLN 30 1HG GLN 30 0.211 1.727 -0.248
199 HG3 GLN 30 2HG GLN 30 1.643 2.610 -0.775
200 HE21 GLN 30 1HE2 GLN 30 0.916 0.404 1.285
201 HE22 GLN 30 2HE2 GLN 30 1.818 0.877 2.680
202 H GLN 31 H GLN 31 -0.771 5.464 -2.896
203 HA GLN 31 HA GLN 31 -1.527 7.863 -1.708
204 HB2 GLN 31 1HB GLN 31 -1.598 7.031 -4.611
205 HB3 GLN 31 2HB GLN 31 -1.836 8.684 -4.059
206 HG2 GLN 31 1HG GLN 31 0.424 8.547 -2.984
207 HG3 GLN 31 2HG GLN 31 0.644 7.006 -3.812
208 HE21 GLN 31 1HE2 GLN 31 0.380 7.059 -6.187
209 HE22 GLN 31 2HE2 GLN 31 0.954 8.450 -7.035
210 H THR 32 H THR 32 -3.456 5.483 -3.454
211 HA THR 32 HA THR 32 -5.825 6.932 -3.713
212 HB THR 32 HB THR 32 -5.568 4.832 -4.869
213 HG1 THR 32 HG1 THR 32 -7.602 3.988 -4.414
214 HG21 THR 32 3HG2 THR 32 -4.645 3.904 -2.353
215 HG22 THR 32 1HG2 THR 32 -4.672 3.043 -3.892
216 HG23 THR 32 2HG2 THR 32 -6.050 2.935 -2.797
217 H HIS 33 H HIS 33 -4.317 5.690 -0.913
218 HA HIS 33 HA HIS 33 -6.769 5.620 0.651
219 HB2 HIS 33 1HB HIS 33 -3.887 4.998 1.266
220 HB3 HIS 33 2HB HIS 33 -5.100 5.107 2.538
221 HD1 HIS 33 HD1 HIS 33 -7.102 3.340 2.367
222 HD2 HIS 33 HD2 HIS 33 -3.817 2.611 -0.070
223 HE1 HIS 33 HE1 HIS 33 -7.316 0.939 1.651
224 H ALA 34 H ALA 34 -4.362 7.853 -0.215
225 HA ALA 34 HA ALA 34 -4.744 9.521 2.146
226 HB1 ALA 34 3HB ALA 34 -2.803 10.528 1.617
227 HB2 ALA 34 1HB ALA 34 -2.559 9.098 0.614
228 HB3 ALA 34 2HB ALA 34 -3.178 10.585 -0.105
229 H GLU 35 H GLU 35 -6.653 8.936 -0.302
230 HA GLU 35 HA GLU 35 -7.374 11.758 -0.751
231 HB2 GLU 35 1HB GLU 35 -7.864 9.365 -2.532
232 HB3 GLU 35 2HB GLU 35 -8.466 10.987 -2.843
233 HG2 GLU 35 1HG GLU 35 -6.215 11.826 -3.056
234 HG3 GLU 35 2HG GLU 35 -5.557 10.248 -2.627
235 H GLU 36 H GLU 36 -9.080 12.339 0.405
236 HA GLU 36 HA GLU 36 -11.287 10.414 0.713
237 HB2 GLU 36 1HB GLU 36 -9.780 10.990 2.794
238 HB3 GLU 36 2HB GLU 36 -10.747 12.458 2.828
239 HG2 GLU 36 1HG GLU 36 -12.771 10.881 2.764
240 HG3 GLU 36 2HG GLU 36 -11.621 9.624 3.217
241 H LYS 37 H LYS 37 -11.209 12.202 -1.374
242 HA LYS 37 HA LYS 37 -13.351 14.074 -0.622
243 HB2 LYS 37 1HB LYS 37 -12.379 15.568 -2.482
244 HB3 LYS 37 2HB LYS 37 -11.559 15.544 -0.926
245 HG2 LYS 37 1HG LYS 37 -9.764 15.340 -2.299
246 HG3 LYS 37 2HG LYS 37 -10.159 13.632 -2.093
247 HD2 LYS 37 1HD LYS 37 -11.048 13.446 -4.215
248 HD3 LYS 37 2HD LYS 37 -11.413 15.170 -4.326
249 HE2 LYS 37 1HE LYS 37 -9.213 15.727 -4.831
250 HE3 LYS 37 2HE LYS 37 -8.578 14.220 -4.173
251 HZ1 LYS 37 3HZ LYS 37 -10.377 14.073 -6.478
252 HZ2 LYS 37 1HZ LYS 37 -9.076 13.076 -6.060
253 HZ3 LYS 37 2HZ LYS 37 -8.791 14.597 -6.742
254 HA PRO 38 HA PRO 38 -14.499 11.245 -4.181
255 HB2 PRO 38 1HB PRO 38 -16.753 10.262 -3.031
256 HB3 PRO 38 2HB PRO 38 -15.161 9.530 -2.803
257 HG2 PRO 38 1HG PRO 38 -16.669 11.385 -1.001
258 HG3 PRO 38 2HG PRO 38 -15.745 9.928 -0.588
259 HD2 PRO 38 1HD PRO 38 -14.749 12.425 -0.264
260 HD3 PRO 38 2HD PRO 38 -13.725 11.034 -0.670
261 H SER 39 H SER 39 -16.447 11.373 -5.501
262 HA SER 39 HA SER 39 -17.795 13.967 -5.173
263 HB2 SER 39 1HB SER 39 -16.366 13.255 -7.289
264 HB3 SER 39 2HB SER 39 -17.871 12.464 -7.755
265 HG SER 39 HG SER 39 -18.722 14.731 -7.081
266 H GLY 40 H GLY 40 -19.427 13.215 -3.777
267 HA2 GLY 40 1HA GLY 40 -21.574 12.504 -3.359
268 HA3 GLY 40 2HA GLY 40 -21.752 12.247 -5.089
269 HA PRO 41 HA PRO 41 -21.857 8.131 -2.919
270 HB2 PRO 41 1HB PRO 41 -24.131 7.271 -4.129
271 HB3 PRO 41 2HB PRO 41 -24.136 8.219 -2.637
272 HG2 PRO 41 1HG PRO 41 -24.582 9.121 -5.456
273 HG3 PRO 41 2HG PRO 41 -25.460 9.575 -3.984
274 HD2 PRO 41 1HD PRO 41 -23.563 11.156 -5.096
275 HD3 PRO 41 2HD PRO 41 -23.853 11.099 -3.345
276 H SER 42 H SER 42 -22.469 5.947 -4.215
277 HA SER 42 HA SER 42 -21.622 4.455 -5.718
278 HB2 SER 42 1HB SER 42 -22.224 4.835 -7.967
279 HB3 SER 42 2HB SER 42 -23.396 5.772 -7.040
280 HG SER 42 HG SER 42 -21.747 6.638 -8.911
281 H SER 43 H SER 43 -19.640 5.865 -4.394
282 HA SER 43 HA SER 43 -17.681 6.662 -6.402
283 HB2 SER 43 1HB SER 43 -16.314 7.387 -4.510
284 HB3 SER 43 2HB SER 43 -17.946 8.039 -4.361
285 HG SER 43 HG SER 43 -17.833 7.175 -2.443
286 H GLY 44 H GLY 44 -18.117 4.228 -3.862
287 HA2 GLY 44 1HA GLY 44 -16.574 2.307 -5.319
288 HA3 GLY 44 2HA GLY 44 -15.694 2.936 -3.933
Start of MODEL 6
1 H1 GLY 1 H GLY 1 2.350 -24.745 -0.438
2 HA2 GLY 1 1HA GLY 1 4.135 -23.677 -1.444
3 HA3 GLY 1 2HA GLY 1 4.376 -25.259 -2.170
4 H SER 2 H SER 2 5.294 -24.083 -3.973
5 HA SER 2 HA SER 2 3.233 -23.385 -5.915
6 HB2 SER 2 1HB SER 2 4.171 -21.288 -6.519
7 HB3 SER 2 2HB SER 2 4.069 -21.268 -4.758
8 HG SER 2 HG SER 2 6.162 -20.703 -6.050
9 H SER 3 H SER 3 4.379 -22.925 -8.119
10 HA SER 3 HA SER 3 6.622 -24.807 -8.433
11 HB2 SER 3 1HB SER 3 5.649 -25.685 -10.453
12 HB3 SER 3 2HB SER 3 4.429 -25.778 -9.183
13 HG SER 3 HG SER 3 4.624 -23.812 -11.222
14 H GLY 4 H GLY 4 8.343 -23.936 -9.377
15 HA2 GLY 4 1HA GLY 4 9.671 -22.342 -10.380
16 HA3 GLY 4 2HA GLY 4 8.490 -22.470 -11.676
17 H SER 5 H SER 5 9.631 -20.583 -9.011
18 HA SER 5 HA SER 5 7.629 -18.779 -8.548
19 HB2 SER 5 1HB SER 5 9.628 -18.590 -7.273
20 HB3 SER 5 2HB SER 5 10.613 -18.356 -8.717
21 HG SER 5 HG SER 5 8.569 -16.524 -8.277
22 H SER 6 H SER 6 6.867 -16.909 -9.482
23 HA SER 6 HA SER 6 7.847 -16.287 -12.187
24 HB2 SER 6 1HB SER 6 5.712 -17.576 -12.273
25 HB3 SER 6 2HB SER 6 4.939 -16.292 -11.343
26 HG SER 6 HG SER 6 5.420 -14.862 -13.049
27 H GLY 7 H GLY 7 5.804 -15.084 -9.523
28 HA2 GLY 7 1HA GLY 7 7.131 -12.486 -9.759
29 HA3 GLY 7 2HA GLY 7 5.385 -12.524 -9.953
30 H GLU 8 H GLU 8 7.944 -12.315 -7.759
31 HA GLU 8 HA GLU 8 6.357 -13.150 -5.464
32 HB2 GLU 8 1HB GLU 8 8.405 -12.653 -4.165
33 HB3 GLU 8 2HB GLU 8 8.687 -13.801 -5.466
34 HG2 GLU 8 1HG GLU 8 9.694 -12.087 -6.823
35 HG3 GLU 8 2HG GLU 8 9.306 -10.860 -5.618
36 H LYS 9 H LYS 9 5.304 -11.808 -4.140
37 HA LYS 9 HA LYS 9 5.745 -8.912 -4.473
38 HB2 LYS 9 1HB LYS 9 3.135 -10.212 -3.690
39 HB3 LYS 9 2HB LYS 9 3.407 -8.526 -4.110
40 HG2 LYS 9 1HG LYS 9 3.830 -9.105 -6.400
41 HG3 LYS 9 2HG LYS 9 3.762 -10.827 -6.019
42 HD2 LYS 9 1HD LYS 9 1.651 -10.449 -6.874
43 HD3 LYS 9 2HD LYS 9 1.374 -10.255 -5.142
44 HE2 LYS 9 1HE LYS 9 1.341 -7.901 -5.313
45 HE3 LYS 9 2HE LYS 9 2.019 -7.933 -6.940
46 HZ1 LYS 9 3HZ LYS 9 -0.597 -7.695 -6.379
47 HZ2 LYS 9 1HZ LYS 9 -0.474 -9.360 -6.656
48 HZ3 LYS 9 2HZ LYS 9 0.017 -8.266 -7.848
49 HA PRO 10 HA PRO 10 6.588 -10.176 -0.056
50 HB2 PRO 10 1HB PRO 10 8.991 -8.925 0.112
51 HB3 PRO 10 2HB PRO 10 8.810 -10.584 -0.470
52 HG2 PRO 10 1HG PRO 10 9.119 -8.050 -2.035
53 HG3 PRO 10 2HG PRO 10 9.885 -9.628 -2.297
54 HD2 PRO 10 1HD PRO 10 7.749 -8.789 -3.734
55 HD3 PRO 10 2HD PRO 10 8.024 -10.498 -3.343
56 H PHE 11 H PHE 11 5.810 -7.486 -1.787
57 HA PHE 11 HA PHE 11 5.995 -5.708 0.554
58 HB2 PHE 11 1HB PHE 11 5.806 -5.059 -2.392
59 HB3 PHE 11 2HB PHE 11 5.671 -3.854 -1.116
60 HD1 PHE 11 HD1 PHE 11 7.950 -6.469 -2.446
61 HD2 PHE 11 HD2 PHE 11 7.572 -2.826 -0.279
62 HE1 PHE 11 HE1 PHE 11 10.400 -6.237 -2.415
63 HE2 PHE 11 HE2 PHE 11 10.021 -2.588 -0.245
64 HZ PHE 11 HZ PHE 11 11.438 -4.294 -1.315
65 H GLY 12 H GLY 12 4.127 -6.100 1.642
66 HA2 GLY 12 1HA GLY 12 1.609 -5.930 0.115
67 HA3 GLY 12 2HA GLY 12 1.792 -6.746 1.661
68 H CYS 13 H CYS 13 0.320 -4.235 0.368
69 HA CYS 13 HA CYS 13 0.993 -1.957 1.781
70 HB2 CYS 13 1HB CYS 13 -0.717 -2.128 -0.051
71 HB3 CYS 13 2HB CYS 13 -1.830 -2.819 1.126
72 H SER 14 H SER 14 0.833 -1.311 3.835
73 HA SER 14 HA SER 14 -0.071 -3.186 5.826
74 HB2 SER 14 1HB SER 14 1.963 -1.643 6.018
75 HB3 SER 14 2HB SER 14 0.811 -0.346 6.336
76 HG SER 14 HG SER 14 1.091 -2.746 7.827
77 H CYS 15 H CYS 15 -1.753 -1.236 3.896
78 HA CYS 15 HA CYS 15 -3.663 -0.406 5.974
79 HB2 CYS 15 1HB CYS 15 -3.325 0.589 3.137
80 HB3 CYS 15 2HB CYS 15 -4.575 1.133 4.249
81 HG CYS 15 HG CYS 15 -1.211 1.560 4.720
82 H CYS 16 H CYS 16 -3.413 -1.957 2.799
83 HA CYS 16 HA CYS 16 -6.053 -3.178 3.283
84 HB2 CYS 16 1HB CYS 16 -6.275 -3.315 0.799
85 HB3 CYS 16 2HB CYS 16 -6.234 -1.666 1.415
86 H GLU 17 H GLU 17 -6.190 -5.155 1.559
87 HA GLU 17 HA GLU 17 -4.042 -6.941 2.406
88 HB2 GLU 17 1HB GLU 17 -6.852 -7.291 1.494
89 HB3 GLU 17 2HB GLU 17 -5.726 -8.599 1.160
90 HG2 GLU 17 1HG GLU 17 -5.157 -8.662 3.569
91 HG3 GLU 17 2HG GLU 17 -6.404 -7.449 3.855
92 H LYS 18 H LYS 18 -3.693 -4.929 0.270
93 HA LYS 18 HA LYS 18 -3.332 -6.629 -2.090
94 HB2 LYS 18 1HB LYS 18 -3.204 -3.632 -1.731
95 HB3 LYS 18 2HB LYS 18 -2.825 -4.452 -3.241
96 HG2 LYS 18 1HG LYS 18 -5.041 -5.160 -3.540
97 HG3 LYS 18 2HG LYS 18 -5.470 -4.798 -1.866
98 HD2 LYS 18 1HD LYS 18 -5.058 -2.387 -2.359
99 HD3 LYS 18 2HD LYS 18 -4.828 -2.822 -4.054
100 HE2 LYS 18 1HE LYS 18 -7.075 -2.092 -3.829
101 HE3 LYS 18 2HE LYS 18 -7.123 -3.847 -3.991
102 HZ1 LYS 18 3HZ LYS 18 -8.014 -2.209 -1.835
103 HZ2 LYS 18 1HZ LYS 18 -6.938 -3.399 -1.298
104 HZ3 LYS 18 2HZ LYS 18 -8.333 -3.841 -2.146
105 H ALA 19 H ALA 19 -1.294 -6.257 -3.356
106 HA ALA 19 HA ALA 19 1.025 -5.481 -1.784
107 HB1 ALA 19 3HB ALA 19 0.259 -8.237 -2.145
108 HB2 ALA 19 1HB ALA 19 1.839 -7.917 -2.862
109 HB3 ALA 19 2HB ALA 19 1.550 -7.548 -1.161
110 H PHE 20 H PHE 20 3.081 -5.850 -3.169
111 HA PHE 20 HA PHE 20 2.629 -5.717 -6.028
112 HB2 PHE 20 1HB PHE 20 3.867 -3.380 -4.558
113 HB3 PHE 20 2HB PHE 20 3.712 -3.538 -6.305
114 HD1 PHE 20 HD2 PHE 20 1.717 -3.352 -3.179
115 HD2 PHE 20 HD1 PHE 20 1.815 -2.757 -7.393
116 HE1 PHE 20 HE2 PHE 20 -0.492 -2.274 -3.075
117 HE2 PHE 20 HE1 PHE 20 -0.394 -1.677 -7.295
118 HZ PHE 20 HZ PHE 20 -1.551 -1.435 -5.134
119 H SER 21 H SER 21 4.574 -5.876 -7.266
120 HA SER 21 HA SER 21 6.438 -7.677 -6.327
121 HB2 SER 21 1HB SER 21 5.974 -6.915 -8.744
122 HB3 SER 21 2HB SER 21 7.141 -5.631 -8.426
123 HG SER 21 HG SER 21 8.658 -7.286 -7.897
124 H SER 22 H SER 22 6.733 -4.142 -6.511
125 HA SER 22 HA SER 22 8.881 -4.305 -4.507
126 HB2 SER 22 1HB SER 22 10.189 -2.665 -5.628
127 HB3 SER 22 2HB SER 22 9.721 -3.830 -6.866
128 HG SER 22 HG SER 22 9.285 -1.226 -6.846
129 H LYS 23 H LYS 23 9.207 -2.253 -3.324
130 HA LYS 23 HA LYS 23 6.863 -1.332 -2.156
131 HB2 LYS 23 1HB LYS 23 8.301 0.538 -1.266
132 HB3 LYS 23 2HB LYS 23 8.913 -1.084 -0.969
133 HG2 LYS 23 1HG LYS 23 10.235 -0.651 -3.192
134 HG3 LYS 23 2HG LYS 23 9.957 1.040 -2.772
135 HD2 LYS 23 1HD LYS 23 10.992 -0.814 -0.679
136 HD3 LYS 23 2HD LYS 23 12.098 -0.233 -1.926
137 HE2 LYS 23 1HE LYS 23 11.618 2.059 -1.340
138 HE3 LYS 23 2HE LYS 23 10.391 1.541 -0.184
139 HZ1 LYS 23 3HZ LYS 23 11.993 1.538 1.329
140 HZ2 LYS 23 1HZ LYS 23 13.200 1.783 0.169
141 HZ3 LYS 23 2HZ LYS 23 12.688 0.213 0.538
142 H SER 24 H SER 24 8.852 0.197 -4.670
143 HA SER 24 HA SER 24 7.704 2.618 -4.993
144 HB2 SER 24 1HB SER 24 9.452 2.052 -6.481
145 HB3 SER 24 2HB SER 24 8.592 0.637 -7.086
146 HG SER 24 HG SER 24 7.630 1.861 -8.490
147 H TYR 25 H TYR 25 6.541 -0.186 -6.869
148 HA TYR 25 HA TYR 25 4.230 0.926 -7.858
149 HB2 TYR 25 1HB TYR 25 4.928 -1.905 -7.121
150 HB3 TYR 25 2HB TYR 25 3.347 -1.506 -7.783
151 HD1 TYR 25 HD1 TYR 25 3.693 0.264 -9.911
152 HD2 TYR 25 HD2 TYR 25 6.340 -2.831 -8.679
153 HE1 TYR 25 HE1 TYR 25 4.615 0.154 -12.189
154 HE2 TYR 25 HE2 TYR 25 7.270 -2.949 -10.953
155 HH TYR 25 HH TYR 25 6.204 -2.267 -13.414
156 H LEU 26 H LEU 26 4.740 -0.616 -4.721
157 HA LEU 26 HA LEU 26 2.041 -0.583 -3.888
158 HB2 LEU 26 1HB LEU 26 3.529 -2.014 -2.744
159 HB3 LEU 26 2HB LEU 26 4.648 -0.697 -2.401
160 HG LEU 26 HG LEU 26 3.015 0.257 -0.827
161 HD11 LEU 26 1HD1 LEU 26 1.278 -1.656 -2.086
162 HD12 LEU 26 2HD1 LEU 26 0.881 -0.322 -1.003
163 HD13 LEU 26 3HD1 LEU 26 1.307 -1.900 -0.340
164 HD21 LEU 26 3HD2 LEU 26 3.157 -1.602 0.866
165 HD22 LEU 26 1HD2 LEU 26 4.686 -1.133 0.122
166 HD23 LEU 26 2HD2 LEU 26 3.862 -2.601 -0.405
167 H LEU 27 H LEU 27 4.630 1.778 -3.714
168 HA LEU 27 HA LEU 27 3.440 3.555 -1.888
169 HB2 LEU 27 1HB LEU 27 5.417 3.986 -4.115
170 HB3 LEU 27 2HB LEU 27 4.922 5.266 -3.009
171 HG LEU 27 HG LEU 27 6.259 2.703 -2.149
172 HD11 LEU 27 1HD1 LEU 27 8.280 4.023 -1.886
173 HD12 LEU 27 2HD1 LEU 27 7.458 5.443 -2.533
174 HD13 LEU 27 3HD1 LEU 27 7.743 4.042 -3.566
175 HD21 LEU 27 3HD2 LEU 27 5.295 5.156 -0.754
176 HD22 LEU 27 1HD2 LEU 27 6.728 4.326 -0.147
177 HD23 LEU 27 2HD2 LEU 27 5.193 3.465 -0.263
178 H VAL 28 H VAL 28 3.600 3.799 -5.447
179 HA VAL 28 HA VAL 28 2.006 5.979 -5.851
180 HB VAL 28 HB VAL 28 2.020 3.464 -7.525
181 HG11 VAL 28 1HG1 VAL 28 0.128 5.131 -7.888
182 HG12 VAL 28 2HG1 VAL 28 1.371 6.243 -8.466
183 HG13 VAL 28 3HG1 VAL 28 1.104 4.708 -9.295
184 HG21 VAL 28 3HG2 VAL 28 3.637 4.858 -8.908
185 HG22 VAL 28 1HG2 VAL 28 3.762 5.913 -7.500
186 HG23 VAL 28 2HG2 VAL 28 4.245 4.221 -7.380
187 H HIS 29 H HIS 29 0.993 2.701 -5.091
188 HA HIS 29 HA HIS 29 -1.780 3.110 -5.569
189 HB2 HIS 29 1HB HIS 29 -1.242 0.863 -5.569
190 HB3 HIS 29 2HB HIS 29 -0.140 1.018 -4.204
191 HD1 HIS 29 HD1 HIS 29 -3.854 0.943 -4.940
192 HD2 HIS 29 HD2 HIS 29 -1.218 0.362 -1.781
193 HE1 HIS 29 HE1 HIS 29 -5.256 0.059 -3.048
194 H GLN 30 H GLN 30 0.192 3.108 -2.611
195 HA GLN 30 HA GLN 30 -1.612 3.428 -0.641
196 HB2 GLN 30 1HB GLN 30 0.950 4.975 -1.035
197 HB3 GLN 30 2HB GLN 30 0.025 5.002 0.461
198 HG2 GLN 30 1HG GLN 30 0.804 2.364 -0.652
199 HG3 GLN 30 2HG GLN 30 2.051 3.357 0.101
200 HE21 GLN 30 1HE2 GLN 30 1.031 0.821 0.993
201 HE22 GLN 30 2HE2 GLN 30 0.363 1.074 2.565
202 H GLN 31 H GLN 31 -0.712 5.885 -2.997
203 HA GLN 31 HA GLN 31 -1.738 8.183 -2.026
204 HB2 GLN 31 1HB GLN 31 -2.082 7.069 -4.811
205 HB3 GLN 31 2HB GLN 31 -2.452 8.732 -4.375
206 HG2 GLN 31 1HG GLN 31 -0.036 8.851 -3.541
207 HG3 GLN 31 2HG GLN 31 0.210 7.363 -4.454
208 HE21 GLN 31 1HE2 GLN 31 0.952 7.644 -6.420
209 HE22 GLN 31 2HE2 GLN 31 0.702 9.029 -7.422
210 H THR 32 H THR 32 -3.662 5.623 -3.570
211 HA THR 32 HA THR 32 -6.153 6.699 -3.593
212 HB THR 32 HB THR 32 -5.591 4.380 -4.320
213 HG1 THR 32 HG1 THR 32 -7.733 4.613 -4.301
214 HG21 THR 32 3HG2 THR 32 -6.092 3.491 -1.502
215 HG22 THR 32 1HG2 THR 32 -4.461 3.896 -2.033
216 HG23 THR 32 2HG2 THR 32 -5.354 2.605 -2.836
217 H HIS 33 H HIS 33 -4.472 5.389 -0.774
218 HA HIS 33 HA HIS 33 -6.676 5.697 1.008
219 HB2 HIS 33 1HB HIS 33 -3.718 5.299 1.463
220 HB3 HIS 33 2HB HIS 33 -4.879 5.421 2.782
221 HD1 HIS 33 HD1 HIS 33 -7.046 3.606 2.246
222 HD2 HIS 33 HD2 HIS 33 -3.207 2.713 0.932
223 HE1 HIS 33 HE1 HIS 33 -7.020 1.117 1.890
224 H ALA 34 H ALA 34 -3.927 7.695 0.102
225 HA ALA 34 HA ALA 34 -4.126 9.641 2.106
226 HB1 ALA 34 3HB ALA 34 -2.721 9.317 -0.390
227 HB2 ALA 34 1HB ALA 34 -3.271 10.980 -0.184
228 HB3 ALA 34 2HB ALA 34 -2.260 10.225 1.049
229 H GLU 35 H GLU 35 -5.934 9.171 -0.850
230 HA GLU 35 HA GLU 35 -7.420 11.656 -0.324
231 HB2 GLU 35 1HB GLU 35 -6.239 11.035 -2.625
232 HB3 GLU 35 2HB GLU 35 -7.744 10.163 -2.882
233 HG2 GLU 35 1HG GLU 35 -8.323 12.151 -3.793
234 HG3 GLU 35 2HG GLU 35 -8.789 12.468 -2.124
235 H GLU 36 H GLU 36 -9.759 11.590 -0.762
236 HA GLU 36 HA GLU 36 -11.834 10.775 -0.310
237 HB2 GLU 36 1HB GLU 36 -10.483 8.476 -1.658
238 HB3 GLU 36 2HB GLU 36 -12.063 8.219 -0.931
239 HG2 GLU 36 1HG GLU 36 -12.708 8.787 -3.027
240 HG3 GLU 36 2HG GLU 36 -12.660 10.392 -2.300
241 H LYS 37 H LYS 37 -9.653 10.603 1.719
242 HA LYS 37 HA LYS 37 -10.949 8.630 3.479
243 HB2 LYS 37 1HB LYS 37 -8.058 9.058 2.909
244 HB3 LYS 37 2HB LYS 37 -8.513 8.664 4.561
245 HG2 LYS 37 1HG LYS 37 -9.305 7.019 2.170
246 HG3 LYS 37 2HG LYS 37 -7.873 6.709 3.155
247 HD2 LYS 37 1HD LYS 37 -9.408 6.568 5.146
248 HD3 LYS 37 2HD LYS 37 -10.761 6.611 4.013
249 HE2 LYS 37 1HE LYS 37 -8.544 4.565 3.991
250 HE3 LYS 37 2HE LYS 37 -10.141 4.317 4.698
251 HZ1 LYS 37 3HZ LYS 37 -9.483 3.701 2.171
252 HZ2 LYS 37 1HZ LYS 37 -10.167 5.234 1.959
253 HZ3 LYS 37 2HZ LYS 37 -11.062 4.004 2.697
254 HA PRO 38 HA PRO 38 -11.233 12.812 5.401
255 HB2 PRO 38 1HB PRO 38 -13.728 12.418 6.398
256 HB3 PRO 38 2HB PRO 38 -13.430 12.985 4.750
257 HG2 PRO 38 1HG PRO 38 -14.071 10.226 5.717
258 HG3 PRO 38 2HG PRO 38 -14.702 11.091 4.303
259 HD2 PRO 38 1HD PRO 38 -12.747 9.226 4.117
260 HD3 PRO 38 2HD PRO 38 -12.837 10.626 3.030
261 H SER 39 H SER 39 -10.409 13.134 7.366
262 HA SER 39 HA SER 39 -10.953 11.149 9.472
263 HB2 SER 39 1HB SER 39 -8.693 10.748 8.745
264 HB3 SER 39 2HB SER 39 -8.313 12.469 8.807
265 HG SER 39 HG SER 39 -9.099 10.954 11.071
266 H GLY 40 H GLY 40 -12.099 12.093 11.019
267 HA2 GLY 40 1HA GLY 40 -12.068 14.962 11.369
268 HA3 GLY 40 2HA GLY 40 -13.060 13.811 12.251
269 HA PRO 41 HA PRO 41 -9.078 15.218 14.580
270 HB2 PRO 41 1HB PRO 41 -9.934 17.489 15.796
271 HB3 PRO 41 2HB PRO 41 -9.113 17.488 14.230
272 HG2 PRO 41 1HG PRO 41 -12.039 17.668 14.834
273 HG3 PRO 41 2HG PRO 41 -11.082 18.583 13.655
274 HD2 PRO 41 1HD PRO 41 -12.625 16.472 12.954
275 HD3 PRO 41 2HD PRO 41 -11.114 16.871 12.112
276 H SER 42 H SER 42 -12.483 15.656 15.486
277 HA SER 42 HA SER 42 -11.899 14.690 18.185
278 HB2 SER 42 1HB SER 42 -13.273 16.708 18.017
279 HB3 SER 42 2HB SER 42 -14.441 15.847 17.015
280 HG SER 42 HG SER 42 -15.221 15.784 19.076
281 H SER 43 H SER 43 -14.122 14.007 15.492
282 HA SER 43 HA SER 43 -14.945 11.506 16.685
283 HB2 SER 43 1HB SER 43 -15.671 13.000 14.184
284 HB3 SER 43 2HB SER 43 -16.128 11.306 14.364
285 HG SER 43 HG SER 43 -17.734 12.803 15.118
286 H GLY 44 H GLY 44 -12.194 11.557 16.281
287 HA2 GLY 44 1HA GLY 44 -11.927 9.353 14.363
288 HA3 GLY 44 2HA GLY 44 -10.859 10.738 14.189
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -0.400 -16.498 -3.092
2 HA2 GLY 1 1HA GLY 1 -2.272 -14.486 -3.498
3 HA3 GLY 1 2HA GLY 1 -2.948 -15.943 -4.209
4 H SER 2 H SER 2 -4.554 -15.264 -2.431
5 HA SER 2 HA SER 2 -4.279 -15.362 0.228
6 HB2 SER 2 1HB SER 2 -6.461 -15.223 -0.930
7 HB3 SER 2 2HB SER 2 -6.376 -16.950 -1.273
8 HG SER 2 HG SER 2 -6.190 -15.966 1.365
9 H SER 3 H SER 3 -4.399 -18.262 -1.825
10 HA SER 3 HA SER 3 -2.762 -19.683 0.110
11 HB2 SER 3 1HB SER 3 -5.345 -19.994 0.542
12 HB3 SER 3 2HB SER 3 -5.224 -21.111 -0.818
13 HG SER 3 HG SER 3 -3.363 -22.000 0.462
14 H GLY 4 H GLY 4 -1.146 -20.419 -1.096
15 HA2 GLY 4 1HA GLY 4 -0.113 -21.763 -2.683
16 HA3 GLY 4 2HA GLY 4 -1.693 -22.119 -3.366
17 H SER 5 H SER 5 -0.133 -21.855 -5.305
18 HA SER 5 HA SER 5 0.785 -20.565 -6.991
19 HB2 SER 5 1HB SER 5 -2.029 -19.488 -6.705
20 HB3 SER 5 2HB SER 5 -0.999 -19.220 -8.112
21 HG SER 5 HG SER 5 -2.561 -21.291 -7.619
22 H SER 6 H SER 6 1.648 -19.537 -4.557
23 HA SER 6 HA SER 6 1.149 -16.776 -4.235
24 HB2 SER 6 1HB SER 6 2.162 -18.292 -2.504
25 HB3 SER 6 2HB SER 6 3.659 -18.265 -3.436
26 HG SER 6 HG SER 6 3.901 -16.653 -1.996
27 H GLY 7 H GLY 7 2.297 -14.968 -4.895
28 HA2 GLY 7 1HA GLY 7 3.914 -15.385 -7.310
29 HA3 GLY 7 2HA GLY 7 3.105 -13.891 -6.861
30 H GLU 8 H GLU 8 5.211 -12.935 -7.390
31 HA GLU 8 HA GLU 8 7.195 -13.295 -5.247
32 HB2 GLU 8 1HB GLU 8 8.789 -12.204 -6.810
33 HB3 GLU 8 2HB GLU 8 8.129 -13.711 -7.430
34 HG2 GLU 8 1HG GLU 8 6.464 -12.328 -8.710
35 HG3 GLU 8 2HG GLU 8 7.404 -10.912 -8.242
36 H LYS 9 H LYS 9 4.938 -11.815 -4.641
37 HA LYS 9 HA LYS 9 6.008 -9.070 -4.551
38 HB2 LYS 9 1HB LYS 9 3.526 -8.438 -4.243
39 HB3 LYS 9 2HB LYS 9 4.083 -8.858 -5.857
40 HG2 LYS 9 1HG LYS 9 3.023 -10.936 -5.812
41 HG3 LYS 9 2HG LYS 9 2.838 -10.904 -4.057
42 HD2 LYS 9 1HD LYS 9 0.702 -10.386 -4.737
43 HD3 LYS 9 2HD LYS 9 1.396 -8.774 -4.551
44 HE2 LYS 9 1HE LYS 9 0.200 -8.843 -6.624
45 HE3 LYS 9 2HE LYS 9 1.925 -8.793 -6.983
46 HZ1 LYS 9 3HZ LYS 9 1.901 -11.149 -7.403
47 HZ2 LYS 9 1HZ LYS 9 0.716 -10.405 -8.355
48 HZ3 LYS 9 2HZ LYS 9 0.271 -11.259 -6.965
49 HA PRO 10 HA PRO 10 5.725 -10.744 -0.230
50 HB2 PRO 10 1HB PRO 10 8.148 -9.795 0.543
51 HB3 PRO 10 2HB PRO 10 7.938 -11.362 -0.248
52 HG2 PRO 10 1HG PRO 10 8.795 -8.745 -1.424
53 HG3 PRO 10 2HG PRO 10 9.449 -10.369 -1.710
54 HD2 PRO 10 1HD PRO 10 7.740 -9.162 -3.430
55 HD3 PRO 10 2HD PRO 10 7.770 -10.921 -3.190
56 H PHE 11 H PHE 11 5.955 -7.728 -1.757
57 HA PHE 11 HA PHE 11 5.922 -6.156 0.677
58 HB2 PHE 11 1HB PHE 11 5.466 -5.224 -2.162
59 HB3 PHE 11 2HB PHE 11 5.874 -4.226 -0.770
60 HD1 PHE 11 HD1 PHE 11 7.162 -6.884 -2.999
61 HD2 PHE 11 HD2 PHE 11 8.105 -3.849 -0.168
62 HE1 PHE 11 HE1 PHE 11 9.552 -7.145 -3.521
63 HE2 PHE 11 HE2 PHE 11 10.496 -4.104 -0.686
64 HZ PHE 11 HZ PHE 11 11.223 -5.753 -2.365
65 H GLY 12 H GLY 12 4.105 -6.160 1.838
66 HA2 GLY 12 1HA GLY 12 1.538 -5.990 0.384
67 HA3 GLY 12 2HA GLY 12 1.731 -6.800 1.932
68 H CYS 13 H CYS 13 0.240 -4.306 0.747
69 HA CYS 13 HA CYS 13 1.098 -2.019 2.082
70 HB2 CYS 13 1HB CYS 13 -0.709 -2.181 0.318
71 HB3 CYS 13 2HB CYS 13 -1.792 -2.741 1.587
72 H SER 14 H SER 14 0.036 -0.941 3.935
73 HA SER 14 HA SER 14 -0.272 -2.851 6.128
74 HB2 SER 14 1HB SER 14 0.057 -0.868 7.591
75 HB3 SER 14 2HB SER 14 1.392 -1.107 6.464
76 HG SER 14 HG SER 14 0.993 0.944 6.086
77 H CYS 15 H CYS 15 -1.940 -0.156 4.576
78 HA CYS 15 HA CYS 15 -4.147 -0.132 6.376
79 HB2 CYS 15 1HB CYS 15 -3.306 1.695 4.695
80 HB3 CYS 15 2HB CYS 15 -4.353 0.858 3.555
81 HG CYS 15 HG CYS 15 -5.146 3.100 5.787
82 H CYS 16 H CYS 16 -3.559 -1.605 3.215
83 HA CYS 16 HA CYS 16 -6.058 -3.134 3.545
84 HB2 CYS 16 1HB CYS 16 -6.128 -3.335 1.096
85 HB3 CYS 16 2HB CYS 16 -6.141 -1.649 1.601
86 H GLU 17 H GLU 17 -5.824 -5.171 1.907
87 HA GLU 17 HA GLU 17 -3.457 -6.604 2.894
88 HB2 GLU 17 1HB GLU 17 -4.725 -8.654 2.506
89 HB3 GLU 17 2HB GLU 17 -5.624 -7.553 3.540
90 HG2 GLU 17 1HG GLU 17 -6.906 -6.824 1.534
91 HG3 GLU 17 2HG GLU 17 -6.092 -8.092 0.620
92 H LYS 18 H LYS 18 -3.566 -4.821 0.522
93 HA LYS 18 HA LYS 18 -3.332 -6.602 -1.748
94 HB2 LYS 18 1HB LYS 18 -2.922 -3.626 -1.436
95 HB3 LYS 18 2HB LYS 18 -2.699 -4.481 -2.957
96 HG2 LYS 18 1HG LYS 18 -5.084 -5.269 -2.723
97 HG3 LYS 18 2HG LYS 18 -5.240 -4.116 -1.396
98 HD2 LYS 18 1HD LYS 18 -4.743 -2.278 -2.858
99 HD3 LYS 18 2HD LYS 18 -4.355 -3.378 -4.184
100 HE2 LYS 18 1HE LYS 18 -7.062 -3.094 -2.882
101 HE3 LYS 18 2HE LYS 18 -6.589 -2.365 -4.416
102 HZ1 LYS 18 3HZ LYS 18 -7.809 -4.400 -4.785
103 HZ2 LYS 18 1HZ LYS 18 -6.718 -5.274 -3.832
104 HZ3 LYS 18 2HZ LYS 18 -6.208 -4.597 -5.296
105 H ALA 19 H ALA 19 -1.419 -6.821 -3.023
106 HA ALA 19 HA ALA 19 1.093 -6.157 -1.654
107 HB1 ALA 19 3HB ALA 19 1.877 -8.488 -2.495
108 HB2 ALA 19 1HB ALA 19 0.947 -8.366 -1.002
109 HB3 ALA 19 2HB ALA 19 0.155 -8.865 -2.496
110 H PHE 20 H PHE 20 2.885 -5.870 -3.002
111 HA PHE 20 HA PHE 20 2.362 -5.937 -5.893
112 HB2 PHE 20 1HB PHE 20 3.709 -3.663 -4.420
113 HB3 PHE 20 2HB PHE 20 3.474 -3.771 -6.162
114 HD1 PHE 20 HD2 PHE 20 1.822 -3.245 -2.931
115 HD2 PHE 20 HD1 PHE 20 1.346 -3.316 -7.160
116 HE1 PHE 20 HE2 PHE 20 -0.358 -2.129 -2.701
117 HE2 PHE 20 HE1 PHE 20 -0.835 -2.199 -6.937
118 HZ PHE 20 HZ PHE 20 -1.690 -1.606 -4.705
119 H SER 21 H SER 21 4.222 -6.155 -7.221
120 HA SER 21 HA SER 21 6.217 -7.851 -6.127
121 HB2 SER 21 1HB SER 21 7.202 -7.804 -8.380
122 HB3 SER 21 2HB SER 21 5.457 -8.052 -8.459
123 HG SER 21 HG SER 21 6.744 -6.276 -9.768
124 H SER 22 H SER 22 6.224 -4.478 -7.210
125 HA SER 22 HA SER 22 8.919 -4.174 -6.065
126 HB2 SER 22 1HB SER 22 7.490 -2.417 -8.075
127 HB3 SER 22 2HB SER 22 9.130 -2.170 -7.475
128 HG SER 22 HG SER 22 9.467 -4.417 -8.316
129 H LYS 23 H LYS 23 9.355 -2.015 -5.074
130 HA LYS 23 HA LYS 23 7.359 -1.468 -3.087
131 HB2 LYS 23 1HB LYS 23 10.158 -0.608 -3.616
132 HB3 LYS 23 2HB LYS 23 9.165 0.446 -2.617
133 HG2 LYS 23 1HG LYS 23 9.262 -2.460 -1.980
134 HG3 LYS 23 2HG LYS 23 10.636 -1.438 -1.549
135 HD2 LYS 23 1HD LYS 23 7.849 -0.614 -0.826
136 HD3 LYS 23 2HD LYS 23 8.719 -1.786 0.167
137 HE2 LYS 23 1HE LYS 23 9.743 0.958 -0.556
138 HE3 LYS 23 2HE LYS 23 8.949 0.551 0.964
139 HZ1 LYS 23 3HZ LYS 23 11.621 0.396 0.463
140 HZ2 LYS 23 1HZ LYS 23 11.116 -1.215 0.352
141 HZ3 LYS 23 2HZ LYS 23 10.814 -0.329 1.760
142 H SER 24 H SER 24 8.924 0.491 -5.621
143 HA SER 24 HA SER 24 7.686 2.880 -5.344
144 HB2 SER 24 1HB SER 24 8.191 3.330 -7.579
145 HB3 SER 24 2HB SER 24 9.311 2.023 -7.195
146 HG SER 24 HG SER 24 8.214 1.667 -9.174
147 H TYR 25 H TYR 25 6.308 0.041 -6.966
148 HA TYR 25 HA TYR 25 3.903 1.219 -7.786
149 HB2 TYR 25 1HB TYR 25 4.807 -1.586 -7.292
150 HB3 TYR 25 2HB TYR 25 3.091 -1.283 -7.538
151 HD1 TYR 25 HD1 TYR 25 3.022 0.759 -9.584
152 HD2 TYR 25 HD2 TYR 25 5.634 -2.578 -9.212
153 HE1 TYR 25 HE1 TYR 25 3.369 0.768 -12.019
154 HE2 TYR 25 HE2 TYR 25 5.990 -2.578 -11.645
155 HH TYR 25 HH TYR 25 4.612 -1.744 -13.706
156 H LEU 26 H LEU 26 4.696 -0.580 -4.827
157 HA LEU 26 HA LEU 26 2.149 -0.514 -3.667
158 HB2 LEU 26 1HB LEU 26 3.730 -1.988 -2.742
159 HB3 LEU 26 2HB LEU 26 4.914 -0.703 -2.516
160 HG LEU 26 HG LEU 26 3.504 0.242 -0.723
161 HD11 LEU 26 1HD1 LEU 26 1.550 -1.458 -1.823
162 HD12 LEU 26 2HD1 LEU 26 1.397 -0.379 -0.437
163 HD13 LEU 26 3HD1 LEU 26 1.889 -2.056 -0.199
164 HD21 LEU 26 3HD2 LEU 26 4.811 -2.379 -0.660
165 HD22 LEU 26 1HD2 LEU 26 3.690 -2.090 0.670
166 HD23 LEU 26 2HD2 LEU 26 5.026 -0.975 0.386
167 H LEU 27 H LEU 27 4.888 1.721 -3.330
168 HA LEU 27 HA LEU 27 3.781 3.450 -1.452
169 HB2 LEU 27 1HB LEU 27 5.708 3.962 -3.706
170 HB3 LEU 27 2HB LEU 27 5.295 5.174 -2.496
171 HG LEU 27 HG LEU 27 6.418 2.515 -1.685
172 HD11 LEU 27 1HD1 LEU 27 7.989 3.345 -3.305
173 HD12 LEU 27 2HD1 LEU 27 8.651 3.580 -1.688
174 HD13 LEU 27 3HD1 LEU 27 7.965 4.946 -2.566
175 HD21 LEU 27 3HD2 LEU 27 5.735 3.589 0.216
176 HD22 LEU 27 1HD2 LEU 27 6.007 5.196 -0.459
177 HD23 LEU 27 2HD2 LEU 27 7.376 4.222 0.077
178 H VAL 28 H VAL 28 3.830 3.868 -4.997
179 HA VAL 28 HA VAL 28 2.266 6.133 -5.174
180 HB VAL 28 HB VAL 28 2.320 3.799 -7.092
181 HG11 VAL 28 1HG1 VAL 28 0.888 4.886 -8.397
182 HG12 VAL 28 2HG1 VAL 28 0.621 6.027 -7.077
183 HG13 VAL 28 3HG1 VAL 28 1.847 6.362 -8.301
184 HG21 VAL 28 3HG2 VAL 28 4.472 4.455 -7.251
185 HG22 VAL 28 1HG2 VAL 28 3.797 5.751 -8.239
186 HG23 VAL 28 2HG2 VAL 28 4.153 6.035 -6.535
187 H HIS 29 H HIS 29 1.251 2.769 -4.865
188 HA HIS 29 HA HIS 29 -1.482 3.094 -5.344
189 HB2 HIS 29 1HB HIS 29 -0.889 0.871 -5.253
190 HB3 HIS 29 2HB HIS 29 0.173 1.100 -3.866
191 HD1 HIS 29 HD1 HIS 29 -3.527 0.920 -4.673
192 HD2 HIS 29 HD2 HIS 29 -0.930 0.415 -1.470
193 HE1 HIS 29 HE1 HIS 29 -4.940 0.020 -2.798
194 H GLN 30 H GLN 30 0.275 3.139 -2.245
195 HA GLN 30 HA GLN 30 -1.729 3.511 -0.461
196 HB2 GLN 30 1HB GLN 30 1.055 4.544 -0.621
197 HB3 GLN 30 2HB GLN 30 0.002 5.247 0.599
198 HG2 GLN 30 1HG GLN 30 -0.114 3.327 1.813
199 HG3 GLN 30 2HG GLN 30 0.114 2.291 0.405
200 HE21 GLN 30 1HE2 GLN 30 1.986 1.297 0.303
201 HE22 GLN 30 2HE2 GLN 30 3.464 1.823 1.026
202 H GLN 31 H GLN 31 -0.451 5.916 -2.689
203 HA GLN 31 HA GLN 31 -1.474 8.258 -1.769
204 HB2 GLN 31 1HB GLN 31 -1.494 7.263 -4.623
205 HB3 GLN 31 2HB GLN 31 -1.758 8.937 -4.152
206 HG2 GLN 31 1HG GLN 31 0.454 9.155 -3.344
207 HG3 GLN 31 2HG GLN 31 0.735 7.418 -3.450
208 HE21 GLN 31 1HE2 GLN 31 2.413 9.316 -4.604
209 HE22 GLN 31 2HE2 GLN 31 2.334 9.153 -6.322
210 H THR 32 H THR 32 -3.256 5.713 -3.455
211 HA THR 32 HA THR 32 -5.679 6.976 -3.857
212 HB THR 32 HB THR 32 -6.725 4.786 -3.855
213 HG1 THR 32 HG1 THR 32 -4.282 3.737 -2.841
214 HG21 THR 32 3HG2 THR 32 -3.993 4.234 -4.937
215 HG22 THR 32 1HG2 THR 32 -4.959 5.535 -5.632
216 HG23 THR 32 2HG2 THR 32 -5.569 3.880 -5.642
217 H HIS 33 H HIS 33 -4.444 5.432 -0.930
218 HA HIS 33 HA HIS 33 -6.786 5.528 0.601
219 HB2 HIS 33 1HB HIS 33 -3.866 5.529 1.331
220 HB3 HIS 33 2HB HIS 33 -5.120 5.600 2.566
221 HD1 HIS 33 HD1 HIS 33 -7.098 3.555 1.758
222 HD2 HIS 33 HD2 HIS 33 -3.017 2.974 1.238
223 HE1 HIS 33 HE1 HIS 33 -6.786 1.063 1.618
224 H ALA 34 H ALA 34 -4.643 8.023 -0.395
225 HA ALA 34 HA ALA 34 -4.899 9.918 1.607
226 HB1 ALA 34 3HB ALA 34 -4.877 10.532 -1.342
227 HB2 ALA 34 1HB ALA 34 -4.320 11.563 -0.024
228 HB3 ALA 34 2HB ALA 34 -3.444 10.083 -0.417
229 H GLU 35 H GLU 35 -7.175 8.989 -0.896
230 HA GLU 35 HA GLU 35 -8.953 11.181 -0.539
231 HB2 GLU 35 1HB GLU 35 -10.338 10.132 -2.074
232 HB3 GLU 35 2HB GLU 35 -8.758 9.498 -2.513
233 HG2 GLU 35 1HG GLU 35 -9.208 7.444 -1.328
234 HG3 GLU 35 2HG GLU 35 -10.752 8.079 -0.763
235 H GLU 36 H GLU 36 -8.668 7.989 0.901
236 HA GLU 36 HA GLU 36 -11.157 8.236 2.348
237 HB2 GLU 36 1HB GLU 36 -9.046 6.160 2.056
238 HB3 GLU 36 2HB GLU 36 -10.017 6.126 3.522
239 HG2 GLU 36 1HG GLU 36 -11.415 6.338 0.910
240 HG3 GLU 36 2HG GLU 36 -10.713 4.787 1.368
241 H LYS 37 H LYS 37 -9.384 10.359 2.858
242 HA LYS 37 HA LYS 37 -8.874 9.927 5.721
243 HB2 LYS 37 1HB LYS 37 -6.809 10.051 4.071
244 HB3 LYS 37 2HB LYS 37 -7.107 11.781 4.183
245 HG2 LYS 37 1HG LYS 37 -6.722 11.789 6.519
246 HG3 LYS 37 2HG LYS 37 -6.744 10.025 6.596
247 HD2 LYS 37 1HD LYS 37 -4.663 9.843 5.531
248 HD3 LYS 37 2HD LYS 37 -4.726 11.502 4.932
249 HE2 LYS 37 1HE LYS 37 -3.226 11.666 6.685
250 HE3 LYS 37 2HE LYS 37 -4.744 12.140 7.445
251 HZ1 LYS 37 3HZ LYS 37 -3.995 10.634 8.954
252 HZ2 LYS 37 1HZ LYS 37 -3.165 9.705 7.809
253 HZ3 LYS 37 2HZ LYS 37 -4.846 9.578 7.942
254 HA PRO 38 HA PRO 38 -11.376 13.520 6.226
255 HB2 PRO 38 1HB PRO 38 -10.625 14.185 8.749
256 HB3 PRO 38 2HB PRO 38 -11.681 12.813 8.391
257 HG2 PRO 38 1HG PRO 38 -8.741 12.843 8.954
258 HG3 PRO 38 2HG PRO 38 -9.983 11.725 9.548
259 HD2 PRO 38 1HD PRO 38 -8.321 11.104 7.502
260 HD3 PRO 38 2HD PRO 38 -9.986 10.495 7.599
261 H SER 39 H SER 39 -8.030 13.546 5.965
262 HA SER 39 HA SER 39 -7.397 16.188 6.723
263 HB2 SER 39 1HB SER 39 -5.680 14.463 6.371
264 HB3 SER 39 2HB SER 39 -6.062 14.428 4.650
265 HG SER 39 HG SER 39 -4.446 16.106 5.994
266 H GLY 40 H GLY 40 -7.977 14.815 3.477
267 HA2 GLY 40 1HA GLY 40 -7.984 17.348 2.183
268 HA3 GLY 40 2HA GLY 40 -8.553 15.833 1.497
269 HA PRO 41 HA PRO 41 -12.054 18.803 2.971
270 HB2 PRO 41 1HB PRO 41 -12.394 20.369 0.779
271 HB3 PRO 41 2HB PRO 41 -11.340 20.817 2.125
272 HG2 PRO 41 1HG PRO 41 -10.625 19.603 -0.516
273 HG3 PRO 41 2HG PRO 41 -9.817 20.908 0.371
274 HD2 PRO 41 1HD PRO 41 -8.908 18.358 0.383
275 HD3 PRO 41 2HD PRO 41 -8.719 19.445 1.773
276 H SER 42 H SER 42 -11.350 17.537 -0.266
277 HA SER 42 HA SER 42 -14.089 17.127 -0.958
278 HB2 SER 42 1HB SER 42 -13.222 15.951 -2.908
279 HB3 SER 42 2HB SER 42 -12.298 17.430 -2.649
280 HG SER 42 HG SER 42 -11.410 15.019 -1.515
281 H SER 43 H SER 43 -15.386 15.576 -0.259
282 HA SER 43 HA SER 43 -14.204 13.192 0.979
283 HB2 SER 43 1HB SER 43 -15.734 14.474 2.401
284 HB3 SER 43 2HB SER 43 -17.009 14.315 1.193
285 HG SER 43 HG SER 43 -16.374 12.631 3.146
286 H GLY 44 H GLY 44 -13.758 12.228 -1.103
287 HA2 GLY 44 1HA GLY 44 -15.484 10.248 -1.879
288 HA3 GLY 44 2HA GLY 44 -15.904 11.612 -2.904
Start of MODEL 8
1 H1 GLY 1 H GLY 1 12.387 -22.839 -13.984
2 HA2 GLY 1 1HA GLY 1 10.007 -23.205 -12.902
3 HA3 GLY 1 2HA GLY 1 10.018 -24.549 -14.035
4 H SER 2 H SER 2 12.456 -23.149 -11.843
5 HA SER 2 HA SER 2 13.101 -25.861 -10.949
6 HB2 SER 2 1HB SER 2 14.579 -23.275 -11.044
7 HB3 SER 2 2HB SER 2 15.005 -24.413 -9.766
8 HG SER 2 HG SER 2 15.094 -25.989 -11.614
9 H SER 3 H SER 3 12.289 -22.661 -9.656
10 HA SER 3 HA SER 3 11.064 -23.917 -7.342
11 HB2 SER 3 1HB SER 3 13.385 -21.993 -7.115
12 HB3 SER 3 2HB SER 3 12.295 -22.359 -5.778
13 HG SER 3 HG SER 3 12.894 -24.622 -6.181
14 H GLY 4 H GLY 4 9.230 -22.904 -6.831
15 HA2 GLY 4 1HA GLY 4 7.482 -21.415 -7.118
16 HA3 GLY 4 2HA GLY 4 8.674 -20.280 -6.504
17 H SER 5 H SER 5 9.294 -18.649 -7.780
18 HA SER 5 HA SER 5 9.347 -18.833 -10.632
19 HB2 SER 5 1HB SER 5 7.012 -17.575 -9.271
20 HB3 SER 5 2HB SER 5 7.655 -16.772 -10.703
21 HG SER 5 HG SER 5 7.327 -18.680 -11.864
22 H SER 6 H SER 6 9.805 -16.613 -11.610
23 HA SER 6 HA SER 6 11.696 -15.245 -9.838
24 HB2 SER 6 1HB SER 6 11.515 -15.667 -12.782
25 HB3 SER 6 2HB SER 6 12.290 -14.188 -12.215
26 HG SER 6 HG SER 6 13.016 -16.642 -11.069
27 H GLY 7 H GLY 7 9.993 -14.077 -8.739
28 HA2 GLY 7 1HA GLY 7 9.725 -11.475 -9.179
29 HA3 GLY 7 2HA GLY 7 8.534 -12.098 -10.310
30 H GLU 8 H GLU 8 9.485 -12.411 -6.891
31 HA GLU 8 HA GLU 8 6.737 -13.032 -6.168
32 HB2 GLU 8 1HB GLU 8 8.785 -14.178 -5.170
33 HB3 GLU 8 2HB GLU 8 9.066 -12.685 -4.286
34 HG2 GLU 8 1HG GLU 8 7.863 -14.463 -3.014
35 HG3 GLU 8 2HG GLU 8 7.038 -12.907 -3.085
36 H LYS 9 H LYS 9 5.596 -11.849 -4.523
37 HA LYS 9 HA LYS 9 6.406 -9.022 -4.336
38 HB2 LYS 9 1HB LYS 9 3.870 -8.586 -4.246
39 HB3 LYS 9 2HB LYS 9 4.591 -8.946 -5.809
40 HG2 LYS 9 1HG LYS 9 3.917 -11.386 -5.295
41 HG3 LYS 9 2HG LYS 9 2.841 -10.661 -4.098
42 HD2 LYS 9 1HD LYS 9 2.888 -9.865 -7.004
43 HD3 LYS 9 2HD LYS 9 1.799 -11.086 -6.342
44 HE2 LYS 9 1HE LYS 9 0.981 -9.349 -4.732
45 HE3 LYS 9 2HE LYS 9 1.937 -8.163 -5.620
46 HZ1 LYS 9 3HZ LYS 9 -0.634 -9.044 -6.193
47 HZ2 LYS 9 1HZ LYS 9 0.360 -9.638 -7.427
48 HZ3 LYS 9 2HZ LYS 9 0.319 -7.979 -7.098
49 HA PRO 10 HA PRO 10 5.845 -10.845 -0.090
50 HB2 PRO 10 1HB PRO 10 8.159 -9.838 0.911
51 HB3 PRO 10 2HB PRO 10 8.071 -11.391 0.070
52 HG2 PRO 10 1HG PRO 10 8.935 -8.720 -0.969
53 HG3 PRO 10 2HG PRO 10 9.667 -10.313 -1.234
54 HD2 PRO 10 1HD PRO 10 8.071 -9.120 -3.068
55 HD3 PRO 10 2HD PRO 10 8.141 -10.882 -2.865
56 H PHE 11 H PHE 11 6.061 -7.797 -1.533
57 HA PHE 11 HA PHE 11 5.821 -6.261 0.907
58 HB2 PHE 11 1HB PHE 11 5.579 -5.437 -1.994
59 HB3 PHE 11 2HB PHE 11 5.566 -4.327 -0.627
60 HD1 PHE 11 HD1 PHE 11 7.638 -6.794 -2.440
61 HD2 PHE 11 HD2 PHE 11 7.566 -3.578 0.347
62 HE1 PHE 11 HE1 PHE 11 10.094 -6.667 -2.529
63 HE2 PHE 11 HE2 PHE 11 10.021 -3.445 0.262
64 HZ PHE 11 HZ PHE 11 11.289 -4.990 -1.177
65 H GLY 12 H GLY 12 3.983 -5.712 1.894
66 HA2 GLY 12 1HA GLY 12 1.463 -5.944 0.377
67 HA3 GLY 12 2HA GLY 12 1.622 -6.660 1.974
68 H CYS 13 H CYS 13 0.273 -4.167 0.454
69 HA CYS 13 HA CYS 13 0.915 -1.811 1.653
70 HB2 CYS 13 1HB CYS 13 -1.000 -2.389 -0.003
71 HB3 CYS 13 2HB CYS 13 -1.973 -2.614 1.446
72 H SER 14 H SER 14 -0.387 -0.640 3.391
73 HA SER 14 HA SER 14 -0.405 -2.340 5.781
74 HB2 SER 14 1HB SER 14 1.071 -0.511 6.078
75 HB3 SER 14 2HB SER 14 -0.079 0.632 5.383
76 HG SER 14 HG SER 14 -0.569 0.966 7.404
77 H CYS 15 H CYS 15 -2.318 0.154 4.139
78 HA CYS 15 HA CYS 15 -4.502 0.031 5.957
79 HB2 CYS 15 1HB CYS 15 -3.956 1.958 4.415
80 HB3 CYS 15 2HB CYS 15 -4.585 0.984 3.091
81 HG CYS 15 HG CYS 15 -6.424 2.998 4.011
82 H CYS 16 H CYS 16 -3.847 -1.448 2.808
83 HA CYS 16 HA CYS 16 -6.220 -3.153 3.192
84 HB2 CYS 16 1HB CYS 16 -6.279 -3.441 0.771
85 HB3 CYS 16 2HB CYS 16 -6.325 -1.729 1.181
86 H GLU 17 H GLU 17 -5.824 -5.236 1.645
87 HA GLU 17 HA GLU 17 -3.396 -6.473 2.740
88 HB2 GLU 17 1HB GLU 17 -6.070 -7.553 1.913
89 HB3 GLU 17 2HB GLU 17 -4.672 -8.617 1.982
90 HG2 GLU 17 1HG GLU 17 -5.987 -8.709 4.031
91 HG3 GLU 17 2HG GLU 17 -4.358 -8.103 4.326
92 H LYS 18 H LYS 18 -3.502 -4.781 0.322
93 HA LYS 18 HA LYS 18 -3.115 -6.607 -1.891
94 HB2 LYS 18 1HB LYS 18 -2.838 -3.609 -1.650
95 HB3 LYS 18 2HB LYS 18 -2.542 -4.496 -3.139
96 HG2 LYS 18 1HG LYS 18 -4.902 -5.375 -2.934
97 HG3 LYS 18 2HG LYS 18 -5.134 -4.179 -1.656
98 HD2 LYS 18 1HD LYS 18 -4.505 -2.400 -3.239
99 HD3 LYS 18 2HD LYS 18 -4.336 -3.611 -4.512
100 HE2 LYS 18 1HE LYS 18 -6.873 -3.051 -2.980
101 HE3 LYS 18 2HE LYS 18 -6.503 -2.419 -4.583
102 HZ1 LYS 18 3HZ LYS 18 -7.089 -4.331 -5.524
103 HZ2 LYS 18 1HZ LYS 18 -7.759 -4.776 -4.035
104 HZ3 LYS 18 2HZ LYS 18 -6.187 -5.257 -4.432
105 H ALA 19 H ALA 19 -1.126 -6.511 -3.208
106 HA ALA 19 HA ALA 19 1.291 -5.821 -1.707
107 HB1 ALA 19 3HB ALA 19 0.566 -8.556 -2.693
108 HB2 ALA 19 1HB ALA 19 2.253 -8.069 -2.518
109 HB3 ALA 19 2HB ALA 19 1.184 -8.068 -1.115
110 H PHE 20 H PHE 20 3.227 -5.764 -3.048
111 HA PHE 20 HA PHE 20 2.802 -5.722 -5.930
112 HB2 PHE 20 1HB PHE 20 3.883 -3.315 -4.450
113 HB3 PHE 20 2HB PHE 20 3.692 -3.469 -6.194
114 HD1 PHE 20 HD2 PHE 20 1.827 -3.322 -3.001
115 HD2 PHE 20 HD1 PHE 20 1.663 -2.943 -7.238
116 HE1 PHE 20 HE2 PHE 20 -0.449 -2.403 -2.828
117 HE2 PHE 20 HE1 PHE 20 -0.612 -2.022 -7.071
118 HZ PHE 20 HZ PHE 20 -1.672 -1.752 -4.864
119 H SER 21 H SER 21 4.536 -6.431 -7.020
120 HA SER 21 HA SER 21 6.692 -7.630 -5.743
121 HB2 SER 21 1HB SER 21 6.251 -8.372 -7.931
122 HB3 SER 21 2HB SER 21 6.254 -6.734 -8.584
123 HG SER 21 HG SER 21 8.518 -6.675 -8.136
124 H SER 22 H SER 22 6.395 -4.401 -7.131
125 HA SER 22 HA SER 22 9.071 -3.755 -6.084
126 HB2 SER 22 1HB SER 22 7.529 -2.189 -8.159
127 HB3 SER 22 2HB SER 22 9.230 -2.018 -7.728
128 HG SER 22 HG SER 22 7.972 -4.151 -9.096
129 H LYS 23 H LYS 23 9.260 -2.313 -4.490
130 HA LYS 23 HA LYS 23 7.162 -1.474 -2.922
131 HB2 LYS 23 1HB LYS 23 9.753 -1.391 -2.547
132 HB3 LYS 23 2HB LYS 23 9.603 0.249 -3.166
133 HG2 LYS 23 1HG LYS 23 8.309 0.944 -1.365
134 HG3 LYS 23 2HG LYS 23 7.872 -0.707 -0.919
135 HD2 LYS 23 1HD LYS 23 9.451 0.042 0.689
136 HD3 LYS 23 2HD LYS 23 10.304 -1.081 -0.373
137 HE2 LYS 23 1HE LYS 23 11.498 0.613 -1.413
138 HE3 LYS 23 2HE LYS 23 10.336 1.854 -0.947
139 HZ1 LYS 23 3HZ LYS 23 12.245 0.468 0.857
140 HZ2 LYS 23 1HZ LYS 23 11.077 1.585 1.361
141 HZ3 LYS 23 2HZ LYS 23 12.336 2.078 0.344
142 H SER 24 H SER 24 8.860 0.433 -5.405
143 HA SER 24 HA SER 24 7.653 2.838 -5.258
144 HB2 SER 24 1HB SER 24 8.424 1.197 -7.654
145 HB3 SER 24 2HB SER 24 7.685 2.785 -7.863
146 HG SER 24 HG SER 24 9.385 3.624 -6.536
147 H TYR 25 H TYR 25 6.284 0.064 -7.025
148 HA TYR 25 HA TYR 25 3.902 1.262 -7.820
149 HB2 TYR 25 1HB TYR 25 4.775 -1.557 -7.367
150 HB3 TYR 25 2HB TYR 25 3.060 -1.243 -7.608
151 HD1 TYR 25 HD1 TYR 25 2.980 0.821 -9.620
152 HD2 TYR 25 HD2 TYR 25 5.616 -2.504 -9.301
153 HE1 TYR 25 HE1 TYR 25 3.327 0.871 -12.054
154 HE2 TYR 25 HE2 TYR 25 5.972 -2.462 -11.735
155 HH TYR 25 HH TYR 25 4.166 -0.260 -13.818
156 H LEU 26 H LEU 26 4.491 -0.766 -4.948
157 HA LEU 26 HA LEU 26 1.968 -0.635 -3.822
158 HB2 LEU 26 1HB LEU 26 3.514 -2.132 -2.880
159 HB3 LEU 26 2HB LEU 26 4.701 -0.859 -2.604
160 HG LEU 26 HG LEU 26 3.232 0.069 -0.839
161 HD11 LEU 26 1HD1 LEU 26 1.143 -0.616 -0.539
162 HD12 LEU 26 2HD1 LEU 26 1.650 -2.301 -0.431
163 HD13 LEU 26 3HD1 LEU 26 1.309 -1.582 -2.005
164 HD21 LEU 26 3HD2 LEU 26 4.973 -2.022 -0.696
165 HD22 LEU 26 1HD2 LEU 26 3.533 -2.701 0.062
166 HD23 LEU 26 2HD2 LEU 26 4.245 -1.215 0.693
167 H LEU 27 H LEU 27 4.680 1.616 -3.457
168 HA LEU 27 HA LEU 27 3.521 3.307 -1.551
169 HB2 LEU 27 1HB LEU 27 5.586 3.748 -3.683
170 HB3 LEU 27 2HB LEU 27 5.073 5.048 -2.610
171 HG LEU 27 HG LEU 27 6.238 2.450 -1.626
172 HD11 LEU 27 1HD1 LEU 27 7.770 3.822 -3.121
173 HD12 LEU 27 2HD1 LEU 27 8.357 3.450 -1.500
174 HD13 LEU 27 3HD1 LEU 27 7.717 5.053 -1.859
175 HD21 LEU 27 3HD2 LEU 27 6.582 4.796 0.018
176 HD22 LEU 27 1HD2 LEU 27 5.862 3.237 0.418
177 HD23 LEU 27 2HD2 LEU 27 4.876 4.499 -0.322
178 H VAL 28 H VAL 28 3.723 3.785 -5.083
179 HA VAL 28 HA VAL 28 2.179 6.061 -5.288
180 HB VAL 28 HB VAL 28 2.295 3.761 -7.244
181 HG11 VAL 28 1HG1 VAL 28 1.482 6.631 -7.692
182 HG12 VAL 28 2HG1 VAL 28 1.602 5.376 -8.926
183 HG13 VAL 28 3HG1 VAL 28 0.388 5.249 -7.653
184 HG21 VAL 28 3HG2 VAL 28 3.878 6.325 -7.247
185 HG22 VAL 28 1HG2 VAL 28 4.479 4.801 -6.594
186 HG23 VAL 28 2HG2 VAL 28 4.084 4.931 -8.308
187 H HIS 29 H HIS 29 1.153 2.724 -4.931
188 HA HIS 29 HA HIS 29 -1.574 3.092 -5.553
189 HB2 HIS 29 1HB HIS 29 -0.956 0.860 -5.550
190 HB3 HIS 29 2HB HIS 29 -0.006 1.017 -4.074
191 HD1 HIS 29 HD1 HIS 29 -3.572 0.683 -5.247
192 HD2 HIS 29 HD2 HIS 29 -1.358 0.457 -1.739
193 HE1 HIS 29 HE1 HIS 29 -5.149 -0.233 -3.515
194 H GLN 30 H GLN 30 0.128 3.027 -2.428
195 HA GLN 30 HA GLN 30 -1.935 3.340 -0.678
196 HB2 GLN 30 1HB GLN 30 0.880 4.295 -0.707
197 HB3 GLN 30 2HB GLN 30 -0.190 4.976 0.512
198 HG2 GLN 30 1HG GLN 30 -0.396 3.011 1.636
199 HG3 GLN 30 2HG GLN 30 -0.163 2.030 0.190
200 HE21 GLN 30 1HE2 GLN 30 1.761 1.141 -0.134
201 HE22 GLN 30 2HE2 GLN 30 3.203 1.522 0.737
202 H GLN 31 H GLN 31 -0.499 5.823 -2.724
203 HA GLN 31 HA GLN 31 -1.459 8.150 -1.754
204 HB2 GLN 31 1HB GLN 31 -1.456 7.215 -4.624
205 HB3 GLN 31 2HB GLN 31 -1.788 8.876 -4.151
206 HG2 GLN 31 1HG GLN 31 0.382 9.250 -3.447
207 HG3 GLN 31 2HG GLN 31 0.723 7.531 -3.257
208 HE21 GLN 31 1HE2 GLN 31 2.661 8.381 -4.486
209 HE22 GLN 31 2HE2 GLN 31 2.579 8.293 -6.209
210 H THR 32 H THR 32 -3.344 5.713 -3.477
211 HA THR 32 HA THR 32 -5.718 7.063 -3.863
212 HB THR 32 HB THR 32 -6.854 4.872 -3.743
213 HG1 THR 32 HG1 THR 32 -5.196 3.071 -3.401
214 HG21 THR 32 3HG2 THR 32 -4.788 5.642 -5.493
215 HG22 THR 32 1HG2 THR 32 -6.100 4.507 -5.808
216 HG23 THR 32 2HG2 THR 32 -4.559 3.922 -5.181
217 H HIS 33 H HIS 33 -4.605 5.368 -0.955
218 HA HIS 33 HA HIS 33 -6.950 5.686 0.561
219 HB2 HIS 33 1HB HIS 33 -4.069 5.407 1.436
220 HB3 HIS 33 2HB HIS 33 -5.446 5.328 2.532
221 HD1 HIS 33 HD1 HIS 33 -7.342 3.483 1.142
222 HD2 HIS 33 HD2 HIS 33 -3.235 2.855 1.155
223 HE1 HIS 33 HE1 HIS 33 -7.036 1.027 0.698
224 H ALA 34 H ALA 34 -4.120 7.753 0.146
225 HA ALA 34 HA ALA 34 -4.530 9.618 2.135
226 HB1 ALA 34 3HB ALA 34 -3.014 9.461 -0.289
227 HB2 ALA 34 1HB ALA 34 -3.699 11.077 -0.119
228 HB3 ALA 34 2HB ALA 34 -2.695 10.404 1.167
229 H GLU 35 H GLU 35 -6.101 9.369 -1.015
230 HA GLU 35 HA GLU 35 -7.433 11.838 -0.991
231 HB2 GLU 35 1HB GLU 35 -7.182 9.951 -2.839
232 HB3 GLU 35 2HB GLU 35 -8.750 9.458 -2.214
233 HG2 GLU 35 1HG GLU 35 -9.796 11.370 -2.938
234 HG3 GLU 35 2HG GLU 35 -8.304 12.309 -2.953
235 H GLU 36 H GLU 36 -10.005 11.758 -1.092
236 HA GLU 36 HA GLU 36 -11.932 11.708 0.115
237 HB2 GLU 36 1HB GLU 36 -10.744 9.024 0.656
238 HB3 GLU 36 2HB GLU 36 -12.130 9.531 1.610
239 HG2 GLU 36 1HG GLU 36 -12.641 8.169 -0.436
240 HG3 GLU 36 2HG GLU 36 -13.509 9.697 -0.291
241 H LYS 37 H LYS 37 -9.543 12.971 1.215
242 HA LYS 37 HA LYS 37 -9.956 12.623 4.101
243 HB2 LYS 37 1HB LYS 37 -7.694 13.576 2.421
244 HB3 LYS 37 2HB LYS 37 -7.878 14.304 4.012
245 HG2 LYS 37 1HG LYS 37 -7.696 12.163 5.077
246 HG3 LYS 37 2HG LYS 37 -7.702 11.340 3.515
247 HD2 LYS 37 1HD LYS 37 -5.443 11.407 4.178
248 HD3 LYS 37 2HD LYS 37 -5.613 12.684 2.971
249 HE2 LYS 37 1HE LYS 37 -4.377 13.687 4.675
250 HE3 LYS 37 2HE LYS 37 -6.025 14.242 4.967
251 HZ1 LYS 37 3HZ LYS 37 -6.263 12.825 6.775
252 HZ2 LYS 37 1HZ LYS 37 -4.678 13.394 6.942
253 HZ3 LYS 37 2HZ LYS 37 -4.959 11.846 6.324
254 HA PRO 38 HA PRO 38 -12.249 16.381 4.319
255 HB2 PRO 38 1HB PRO 38 -11.915 16.906 6.962
256 HB3 PRO 38 2HB PRO 38 -12.984 15.632 6.363
257 HG2 PRO 38 1HG PRO 38 -10.197 15.418 7.434
258 HG3 PRO 38 2HG PRO 38 -11.600 14.381 7.751
259 HD2 PRO 38 1HD PRO 38 -9.648 13.698 6.002
260 HD3 PRO 38 2HD PRO 38 -11.342 13.216 5.778
261 H SER 39 H SER 39 -11.045 17.839 3.105
262 HA SER 39 HA SER 39 -9.000 19.356 4.590
263 HB2 SER 39 1HB SER 39 -9.203 18.950 1.596
264 HB3 SER 39 2HB SER 39 -7.965 19.892 2.427
265 HG SER 39 HG SER 39 -6.965 18.022 2.347
266 H GLY 40 H GLY 40 -10.218 20.996 5.414
267 HA2 GLY 40 1HA GLY 40 -12.391 22.269 4.283
268 HA3 GLY 40 2HA GLY 40 -11.281 23.033 5.411
269 HA PRO 41 HA PRO 41 -10.040 25.821 2.265
270 HB2 PRO 41 1HB PRO 41 -7.492 26.358 3.036
271 HB3 PRO 41 2HB PRO 41 -8.907 26.968 3.903
272 HG2 PRO 41 1HG PRO 41 -7.169 24.613 4.533
273 HG3 PRO 41 2HG PRO 41 -7.828 25.842 5.628
274 HD2 PRO 41 1HD PRO 41 -8.930 23.382 5.367
275 HD3 PRO 41 2HD PRO 41 -9.896 24.828 5.724
276 H SER 42 H SER 42 -9.178 25.756 0.258
277 HA SER 42 HA SER 42 -7.415 23.484 -0.372
278 HB2 SER 42 1HB SER 42 -9.689 23.566 -1.469
279 HB3 SER 42 2HB SER 42 -9.154 25.020 -2.312
280 HG SER 42 HG SER 42 -7.271 23.499 -2.880
281 H SER 43 H SER 43 -5.455 23.835 -1.226
282 HA SER 43 HA SER 43 -4.391 26.479 -1.257
283 HB2 SER 43 1HB SER 43 -2.320 25.341 -2.119
284 HB3 SER 43 2HB SER 43 -2.945 24.663 -0.615
285 HG SER 43 HG SER 43 -2.351 23.113 -2.298
286 H GLY 44 H GLY 44 -5.015 24.076 -3.812
287 HA2 GLY 44 1HA GLY 44 -5.330 26.292 -5.709
288 HA3 GLY 44 2HA GLY 44 -4.169 25.029 -6.090
Start of MODEL 9
1 H1 GLY 1 H GLY 1 1.746 -23.195 -17.470
2 HA2 GLY 1 1HA GLY 1 -0.314 -24.198 -17.047
3 HA3 GLY 1 2HA GLY 1 0.149 -25.532 -18.093
4 H SER 2 H SER 2 -0.237 -24.489 -14.902
5 HA SER 2 HA SER 2 0.083 -25.471 -12.875
6 HB2 SER 2 1HB SER 2 0.392 -28.004 -14.505
7 HB3 SER 2 2HB SER 2 0.019 -27.911 -12.784
8 HG SER 2 HG SER 2 -1.851 -28.218 -14.095
9 H SER 3 H SER 3 2.327 -24.263 -13.969
10 HA SER 3 HA SER 3 4.482 -26.002 -12.961
11 HB2 SER 3 1HB SER 3 4.391 -25.427 -15.522
12 HB3 SER 3 2HB SER 3 5.039 -23.873 -14.997
13 HG SER 3 HG SER 3 6.197 -26.425 -14.871
14 H GLY 4 H GLY 4 4.191 -25.060 -10.881
15 HA2 GLY 4 1HA GLY 4 4.746 -23.591 -9.207
16 HA3 GLY 4 2HA GLY 4 5.891 -22.889 -10.340
17 H SER 5 H SER 5 4.020 -21.696 -8.318
18 HA SER 5 HA SER 5 2.288 -20.093 -10.050
19 HB2 SER 5 1HB SER 5 1.572 -21.205 -7.791
20 HB3 SER 5 2HB SER 5 2.377 -19.815 -7.063
21 HG SER 5 HG SER 5 0.936 -18.469 -8.014
22 H SER 6 H SER 6 3.242 -18.371 -10.913
23 HA SER 6 HA SER 6 5.451 -17.050 -9.604
24 HB2 SER 6 1HB SER 6 4.988 -17.438 -12.185
25 HB3 SER 6 2HB SER 6 4.132 -15.905 -12.029
26 HG SER 6 HG SER 6 6.859 -16.444 -11.486
27 H GLY 7 H GLY 7 5.412 -15.177 -8.497
28 HA2 GLY 7 1HA GLY 7 3.970 -12.958 -8.622
29 HA3 GLY 7 2HA GLY 7 2.791 -14.041 -7.897
30 H GLU 8 H GLU 8 6.199 -13.087 -7.457
31 HA GLU 8 HA GLU 8 5.911 -13.465 -4.579
32 HB2 GLU 8 1HB GLU 8 7.909 -14.349 -5.772
33 HB3 GLU 8 2HB GLU 8 8.363 -12.699 -6.171
34 HG2 GLU 8 1HG GLU 8 9.669 -13.251 -4.320
35 HG3 GLU 8 2HG GLU 8 8.367 -12.256 -3.671
36 H LYS 9 H LYS 9 4.778 -11.768 -3.770
37 HA LYS 9 HA LYS 9 5.891 -9.080 -4.248
38 HB2 LYS 9 1HB LYS 9 3.042 -9.944 -3.760
39 HB3 LYS 9 2HB LYS 9 3.566 -8.272 -3.609
40 HG2 LYS 9 1HG LYS 9 2.765 -8.304 -5.755
41 HG3 LYS 9 2HG LYS 9 4.478 -8.633 -6.024
42 HD2 LYS 9 1HD LYS 9 3.524 -10.273 -7.318
43 HD3 LYS 9 2HD LYS 9 3.705 -11.134 -5.788
44 HE2 LYS 9 1HE LYS 9 1.406 -10.774 -5.238
45 HE3 LYS 9 2HE LYS 9 1.194 -9.686 -6.608
46 HZ1 LYS 9 3HZ LYS 9 2.120 -12.374 -7.225
47 HZ2 LYS 9 1HZ LYS 9 1.019 -11.390 -8.052
48 HZ3 LYS 9 2HZ LYS 9 0.524 -12.244 -6.678
49 HA PRO 10 HA PRO 10 6.606 -10.028 0.199
50 HB2 PRO 10 1HB PRO 10 8.967 -8.693 0.320
51 HB3 PRO 10 2HB PRO 10 8.838 -10.369 -0.224
52 HG2 PRO 10 1HG PRO 10 9.049 -7.862 -1.846
53 HG3 PRO 10 2HG PRO 10 9.866 -9.418 -2.081
54 HD2 PRO 10 1HD PRO 10 7.692 -8.684 -3.518
55 HD3 PRO 10 2HD PRO 10 8.029 -10.374 -3.091
56 H PHE 11 H PHE 11 5.727 -7.404 -1.585
57 HA PHE 11 HA PHE 11 5.878 -5.564 0.709
58 HB2 PHE 11 1HB PHE 11 5.549 -4.964 -2.238
59 HB3 PHE 11 2HB PHE 11 5.510 -3.754 -0.960
60 HD1 PHE 11 HD1 PHE 11 7.624 -6.083 -2.835
61 HD2 PHE 11 HD2 PHE 11 7.521 -3.045 0.143
62 HE1 PHE 11 HE1 PHE 11 10.072 -5.869 -2.974
63 HE2 PHE 11 HE2 PHE 11 9.968 -2.825 0.009
64 HZ PHE 11 HZ PHE 11 11.246 -4.238 -1.551
65 H GLY 12 H GLY 12 4.051 -5.843 1.856
66 HA2 GLY 12 1HA GLY 12 1.498 -5.956 0.384
67 HA3 GLY 12 2HA GLY 12 1.750 -6.568 2.012
68 H CYS 13 H CYS 13 -0.053 -4.456 0.664
69 HA CYS 13 HA CYS 13 0.636 -1.966 1.850
70 HB2 CYS 13 1HB CYS 13 -0.864 -2.199 -0.121
71 HB3 CYS 13 2HB CYS 13 -2.081 -2.924 0.925
72 H SER 14 H SER 14 -0.446 -0.884 3.582
73 HA SER 14 HA SER 14 -1.176 -2.722 5.734
74 HB2 SER 14 1HB SER 14 0.492 -1.211 6.443
75 HB3 SER 14 2HB SER 14 -0.302 0.161 5.672
76 HG SER 14 HG SER 14 -0.784 -1.023 8.125
77 H CYS 15 H CYS 15 -2.479 -0.099 3.814
78 HA CYS 15 HA CYS 15 -4.839 0.272 5.369
79 HB2 CYS 15 1HB CYS 15 -4.254 1.011 2.494
80 HB3 CYS 15 2HB CYS 15 -5.643 1.568 3.420
81 HG CYS 15 HG CYS 15 -2.608 2.193 4.753
82 H CYS 16 H CYS 16 -4.078 -1.548 2.428
83 HA CYS 16 HA CYS 16 -6.673 -2.920 2.703
84 HB2 CYS 16 1HB CYS 16 -6.586 -3.329 0.273
85 HB3 CYS 16 2HB CYS 16 -6.584 -1.608 0.647
86 H GLU 17 H GLU 17 -6.425 -5.087 1.226
87 HA GLU 17 HA GLU 17 -4.229 -6.550 2.512
88 HB2 GLU 17 1HB GLU 17 -6.938 -7.355 1.506
89 HB3 GLU 17 2HB GLU 17 -5.676 -8.562 1.706
90 HG2 GLU 17 1HG GLU 17 -5.635 -8.339 3.999
91 HG3 GLU 17 2HG GLU 17 -6.331 -6.720 3.958
92 H LYS 18 H LYS 18 -3.946 -4.925 0.075
93 HA LYS 18 HA LYS 18 -3.486 -6.940 -1.992
94 HB2 LYS 18 1HB LYS 18 -3.399 -3.923 -2.025
95 HB3 LYS 18 2HB LYS 18 -2.906 -4.910 -3.395
96 HG2 LYS 18 1HG LYS 18 -5.069 -5.665 -3.789
97 HG3 LYS 18 2HG LYS 18 -5.618 -5.231 -2.168
98 HD2 LYS 18 1HD LYS 18 -5.022 -2.804 -2.933
99 HD3 LYS 18 2HD LYS 18 -5.166 -3.488 -4.554
100 HE2 LYS 18 1HE LYS 18 -7.426 -4.098 -4.192
101 HE3 LYS 18 2HE LYS 18 -7.304 -3.795 -2.460
102 HZ1 LYS 18 3HZ LYS 18 -6.620 -1.421 -3.660
103 HZ2 LYS 18 1HZ LYS 18 -8.081 -1.778 -2.885
104 HZ3 LYS 18 2HZ LYS 18 -7.939 -1.985 -4.558
105 H ALA 19 H ALA 19 -1.440 -7.051 -3.103
106 HA ALA 19 HA ALA 19 0.858 -5.989 -1.625
107 HB1 ALA 19 3HB ALA 19 1.272 -8.730 -2.548
108 HB2 ALA 19 1HB ALA 19 1.697 -7.970 -1.014
109 HB3 ALA 19 2HB ALA 19 0.062 -8.581 -1.274
110 H PHE 20 H PHE 20 2.685 -5.613 -2.860
111 HA PHE 20 HA PHE 20 2.427 -6.123 -5.749
112 HB2 PHE 20 1HB PHE 20 3.532 -3.624 -4.450
113 HB3 PHE 20 2HB PHE 20 3.477 -3.943 -6.180
114 HD1 PHE 20 HD2 PHE 20 1.251 -3.682 -3.208
115 HD2 PHE 20 HD1 PHE 20 1.677 -3.199 -7.415
116 HE1 PHE 20 HE2 PHE 20 -0.993 -2.678 -3.317
117 HE2 PHE 20 HE1 PHE 20 -0.566 -2.193 -7.531
118 HZ PHE 20 HZ PHE 20 -1.904 -1.933 -5.480
119 H SER 21 H SER 21 4.506 -6.077 -6.918
120 HA SER 21 HA SER 21 6.485 -7.581 -5.448
121 HB2 SER 21 1HB SER 21 7.624 -7.712 -7.689
122 HB3 SER 21 2HB SER 21 5.977 -8.344 -7.672
123 HG SER 21 HG SER 21 6.120 -7.038 -9.440
124 H SER 22 H SER 22 6.316 -4.464 -7.122
125 HA SER 22 HA SER 22 8.959 -3.771 -6.047
126 HB2 SER 22 1HB SER 22 7.356 -2.835 -8.386
127 HB3 SER 22 2HB SER 22 8.480 -1.700 -7.638
128 HG SER 22 HG SER 22 9.950 -3.715 -7.840
129 H LYS 23 H LYS 23 9.187 -2.324 -4.463
130 HA LYS 23 HA LYS 23 7.051 -1.439 -2.915
131 HB2 LYS 23 1HB LYS 23 9.236 -1.548 -1.950
132 HB3 LYS 23 2HB LYS 23 9.885 -0.428 -3.140
133 HG2 LYS 23 1HG LYS 23 9.648 0.760 -1.104
134 HG3 LYS 23 2HG LYS 23 8.373 1.324 -2.187
135 HD2 LYS 23 1HD LYS 23 7.135 1.006 -0.298
136 HD3 LYS 23 2HD LYS 23 7.015 -0.614 -0.989
137 HE2 LYS 23 1HE LYS 23 7.625 -1.128 1.157
138 HE3 LYS 23 2HE LYS 23 9.212 -1.013 0.399
139 HZ1 LYS 23 3HZ LYS 23 8.222 0.458 2.558
140 HZ2 LYS 23 1HZ LYS 23 8.458 1.538 1.277
141 HZ3 LYS 23 2HZ LYS 23 9.740 0.579 1.821
142 H SER 24 H SER 24 8.956 0.342 -5.331
143 HA SER 24 HA SER 24 7.899 2.845 -5.134
144 HB2 SER 24 1HB SER 24 8.599 1.309 -7.643
145 HB3 SER 24 2HB SER 24 8.266 3.041 -7.616
146 HG SER 24 HG SER 24 10.499 2.622 -7.457
147 H TYR 25 H TYR 25 6.491 0.117 -6.916
148 HA TYR 25 HA TYR 25 4.262 1.482 -7.936
149 HB2 TYR 25 1HB TYR 25 4.993 -1.369 -7.507
150 HB3 TYR 25 2HB TYR 25 3.292 -1.006 -7.775
151 HD1 TYR 25 HD1 TYR 25 3.416 1.180 -9.723
152 HD2 TYR 25 HD2 TYR 25 5.737 -2.376 -9.465
153 HE1 TYR 25 HE1 TYR 25 3.814 1.272 -12.148
154 HE2 TYR 25 HE2 TYR 25 6.143 -2.294 -11.890
155 HH TYR 25 HH TYR 25 6.173 -0.430 -13.689
156 H LEU 26 H LEU 26 4.585 -0.529 -5.018
157 HA LEU 26 HA LEU 26 1.981 -0.331 -4.086
158 HB2 LEU 26 1HB LEU 26 3.497 -1.860 -3.071
159 HB3 LEU 26 2HB LEU 26 4.590 -0.558 -2.604
160 HG LEU 26 HG LEU 26 2.899 0.250 -1.000
161 HD11 LEU 26 1HD1 LEU 26 1.390 -2.231 -1.811
162 HD12 LEU 26 2HD1 LEU 26 0.899 -0.566 -2.115
163 HD13 LEU 26 3HD1 LEU 26 0.982 -1.172 -0.461
164 HD21 LEU 26 3HD2 LEU 26 3.904 -2.572 -0.801
165 HD22 LEU 26 1HD2 LEU 26 3.025 -1.801 0.520
166 HD23 LEU 26 2HD2 LEU 26 4.547 -1.113 -0.047
167 H LEU 27 H LEU 27 4.755 1.762 -3.314
168 HA LEU 27 HA LEU 27 3.606 3.507 -1.550
169 HB2 LEU 27 1HB LEU 27 5.524 4.137 -3.788
170 HB3 LEU 27 2HB LEU 27 5.157 5.226 -2.452
171 HG LEU 27 HG LEU 27 6.352 2.490 -2.061
172 HD11 LEU 27 1HD1 LEU 27 7.795 3.954 -3.475
173 HD12 LEU 27 2HD1 LEU 27 8.510 3.501 -1.929
174 HD13 LEU 27 3HD1 LEU 27 7.830 5.113 -2.146
175 HD21 LEU 27 3HD2 LEU 27 7.130 3.759 0.064
176 HD22 LEU 27 1HD2 LEU 27 5.474 3.157 -0.028
177 HD23 LEU 27 2HD2 LEU 27 5.810 4.863 -0.324
178 H VAL 28 H VAL 28 3.603 3.850 -5.098
179 HA VAL 28 HA VAL 28 2.023 6.161 -5.205
180 HB VAL 28 HB VAL 28 2.278 3.951 -7.249
181 HG11 VAL 28 1HG1 VAL 28 1.604 5.781 -8.847
182 HG12 VAL 28 2HG1 VAL 28 0.324 5.181 -7.791
183 HG13 VAL 28 3HG1 VAL 28 1.112 6.720 -7.438
184 HG21 VAL 28 3HG2 VAL 28 4.251 4.814 -7.827
185 HG22 VAL 28 1HG2 VAL 28 3.615 6.459 -7.814
186 HG23 VAL 28 2HG2 VAL 28 4.195 5.725 -6.318
187 H HIS 29 H HIS 29 1.147 2.743 -5.154
188 HA HIS 29 HA HIS 29 -1.592 3.040 -5.705
189 HB2 HIS 29 1HB HIS 29 -0.966 0.839 -5.871
190 HB3 HIS 29 2HB HIS 29 0.111 0.929 -4.480
191 HD1 HIS 29 HD1 HIS 29 -3.492 0.404 -5.388
192 HD2 HIS 29 HD2 HIS 29 -1.037 0.264 -2.039
193 HE1 HIS 29 HE1 HIS 29 -4.875 -0.672 -3.585
194 H GLN 30 H GLN 30 0.130 2.823 -2.600
195 HA GLN 30 HA GLN 30 -1.999 2.942 -0.864
196 HB2 GLN 30 1HB GLN 30 0.620 4.394 -0.468
197 HB3 GLN 30 2HB GLN 30 -0.473 3.825 0.787
198 HG2 GLN 30 1HG GLN 30 -0.017 1.500 -0.401
199 HG3 GLN 30 2HG GLN 30 1.470 2.324 -0.866
200 HE21 GLN 30 1HE2 GLN 30 0.728 0.098 1.074
201 HE22 GLN 30 2HE2 GLN 30 1.530 0.545 2.537
202 H GLN 31 H GLN 31 -0.356 5.628 -2.483
203 HA GLN 31 HA GLN 31 -1.347 7.837 -1.320
204 HB2 GLN 31 1HB GLN 31 -1.267 7.311 -4.296
205 HB3 GLN 31 2HB GLN 31 -1.433 8.902 -3.565
206 HG2 GLN 31 1HG GLN 31 0.741 8.825 -2.661
207 HG3 GLN 31 2HG GLN 31 0.897 7.100 -2.992
208 HE21 GLN 31 1HE2 GLN 31 2.844 8.804 -3.805
209 HE22 GLN 31 2HE2 GLN 31 2.827 8.953 -5.526
210 H THR 32 H THR 32 -3.169 5.668 -3.423
211 HA THR 32 HA THR 32 -5.465 7.035 -3.911
212 HB THR 32 HB THR 32 -6.688 4.895 -3.837
213 HG1 THR 32 HG1 THR 32 -5.993 3.400 -2.525
214 HG21 THR 32 3HG2 THR 32 -4.575 3.659 -5.134
215 HG22 THR 32 1HG2 THR 32 -4.220 5.379 -5.294
216 HG23 THR 32 2HG2 THR 32 -5.761 4.738 -5.867
217 H HIS 33 H HIS 33 -4.756 5.219 -0.932
218 HA HIS 33 HA HIS 33 -7.160 5.773 0.392
219 HB2 HIS 33 1HB HIS 33 -4.432 5.326 1.622
220 HB3 HIS 33 2HB HIS 33 -5.980 5.154 2.443
221 HD1 HIS 33 HD1 HIS 33 -7.551 3.176 1.474
222 HD2 HIS 33 HD2 HIS 33 -3.541 3.065 0.394
223 HE1 HIS 33 HE1 HIS 33 -7.137 0.831 0.664
224 H ALA 34 H ALA 34 -4.121 7.562 0.251
225 HA ALA 34 HA ALA 34 -4.529 9.451 2.218
226 HB1 ALA 34 3HB ALA 34 -3.355 10.297 -0.392
227 HB2 ALA 34 1HB ALA 34 -2.836 10.676 1.251
228 HB3 ALA 34 2HB ALA 34 -2.537 9.073 0.578
229 H GLU 35 H GLU 35 -5.798 9.388 -1.077
230 HA GLU 35 HA GLU 35 -7.438 11.748 -0.424
231 HB2 GLU 35 1HB GLU 35 -7.571 12.200 -2.811
232 HB3 GLU 35 2HB GLU 35 -5.890 12.101 -2.305
233 HG2 GLU 35 1HG GLU 35 -5.718 9.862 -3.206
234 HG3 GLU 35 2HG GLU 35 -7.424 9.887 -3.647
235 H GLU 36 H GLU 36 -9.499 11.745 -1.920
236 HA GLU 36 HA GLU 36 -11.516 10.820 -2.437
237 HB2 GLU 36 1HB GLU 36 -9.891 9.118 -3.583
238 HB3 GLU 36 2HB GLU 36 -10.368 8.058 -2.264
239 HG2 GLU 36 1HG GLU 36 -12.669 8.175 -2.924
240 HG3 GLU 36 2HG GLU 36 -12.299 9.390 -4.147
241 H LYS 37 H LYS 37 -10.971 11.431 0.206
242 HA LYS 37 HA LYS 37 -12.205 9.227 1.714
243 HB2 LYS 37 1HB LYS 37 -10.372 11.464 2.483
244 HB3 LYS 37 2HB LYS 37 -11.447 10.780 3.695
245 HG2 LYS 37 1HG LYS 37 -10.480 8.586 3.362
246 HG3 LYS 37 2HG LYS 37 -9.448 9.215 2.075
247 HD2 LYS 37 1HD LYS 37 -8.099 9.104 4.019
248 HD3 LYS 37 2HD LYS 37 -8.494 10.808 3.788
249 HE2 LYS 37 1HE LYS 37 -10.238 9.123 5.526
250 HE3 LYS 37 2HE LYS 37 -8.694 9.696 6.153
251 HZ1 LYS 37 3HZ LYS 37 -10.174 11.771 4.863
252 HZ2 LYS 37 1HZ LYS 37 -9.504 11.733 6.416
253 HZ3 LYS 37 2HZ LYS 37 -11.042 11.084 6.142
254 HA PRO 38 HA PRO 38 -15.953 11.529 1.991
255 HB2 PRO 38 1HB PRO 38 -17.029 10.295 4.156
256 HB3 PRO 38 2HB PRO 38 -16.951 9.540 2.560
257 HG2 PRO 38 1HG PRO 38 -15.153 9.163 4.923
258 HG3 PRO 38 2HG PRO 38 -15.818 7.946 3.818
259 HD2 PRO 38 1HD PRO 38 -13.283 8.874 3.608
260 HD3 PRO 38 2HD PRO 38 -14.235 8.371 2.197
261 H SER 39 H SER 39 -16.789 13.270 3.076
262 HA SER 39 HA SER 39 -15.105 14.649 4.883
263 HB2 SER 39 1HB SER 39 -16.579 15.860 3.367
264 HB3 SER 39 2HB SER 39 -17.997 15.149 4.137
265 HG SER 39 HG SER 39 -17.753 17.116 5.070
266 H GLY 40 H GLY 40 -14.875 14.365 6.995
267 HA2 GLY 40 1HA GLY 40 -17.115 13.140 8.485
268 HA3 GLY 40 2HA GLY 40 -15.423 12.840 8.853
269 HA PRO 41 HA PRO 41 -17.288 16.716 11.034
270 HB2 PRO 41 1HB PRO 41 -18.383 15.614 13.260
271 HB3 PRO 41 2HB PRO 41 -19.304 15.906 11.780
272 HG2 PRO 41 1HG PRO 41 -18.066 13.367 12.770
273 HG3 PRO 41 2HG PRO 41 -19.659 13.622 12.035
274 HD2 PRO 41 1HD PRO 41 -17.552 12.645 10.643
275 HD3 PRO 41 2HD PRO 41 -18.805 13.655 9.894
276 H SER 42 H SER 42 -15.826 17.733 12.256
277 HA SER 42 HA SER 42 -13.832 18.015 13.367
278 HB2 SER 42 1HB SER 42 -15.688 16.515 15.162
279 HB3 SER 42 2HB SER 42 -14.030 16.773 15.706
280 HG SER 42 HG SER 42 -15.999 18.696 15.066
281 H SER 43 H SER 43 -13.529 16.044 11.440
282 HA SER 43 HA SER 43 -12.517 13.598 12.360
283 HB2 SER 43 1HB SER 43 -11.429 13.431 10.152
284 HB3 SER 43 2HB SER 43 -13.098 13.983 10.009
285 HG SER 43 HG SER 43 -10.719 15.345 9.529
286 H GLY 44 H GLY 44 -10.139 12.955 11.942
287 HA2 GLY 44 1HA GLY 44 -8.533 14.528 13.729
288 HA3 GLY 44 2HA GLY 44 -8.048 13.044 12.922
Start of MODEL 10
1 H1 GLY 1 H GLY 1 4.764 -24.883 -15.868
2 HA2 GLY 1 1HA GLY 1 4.060 -22.475 -17.378
3 HA3 GLY 1 2HA GLY 1 3.012 -23.344 -16.267
4 H SER 2 H SER 2 2.450 -21.414 -15.206
5 HA SER 2 HA SER 2 4.583 -19.972 -13.826
6 HB2 SER 2 1HB SER 2 1.616 -19.388 -13.981
7 HB3 SER 2 2HB SER 2 2.832 -18.344 -13.246
8 HG SER 2 HG SER 2 3.077 -17.547 -15.164
9 H SER 3 H SER 3 4.227 -22.574 -12.933
10 HA SER 3 HA SER 3 2.758 -22.297 -10.405
11 HB2 SER 3 1HB SER 3 2.194 -24.256 -11.803
12 HB3 SER 3 2HB SER 3 3.872 -24.791 -11.713
13 HG SER 3 HG SER 3 1.983 -24.596 -9.614
14 H GLY 4 H GLY 4 4.083 -21.336 -8.963
15 HA2 GLY 4 1HA GLY 4 5.708 -21.965 -7.231
16 HA3 GLY 4 2HA GLY 4 6.710 -22.615 -8.521
17 H SER 5 H SER 5 6.890 -20.730 -10.362
18 HA SER 5 HA SER 5 7.939 -18.387 -8.913
19 HB2 SER 5 1HB SER 5 9.603 -18.192 -10.759
20 HB3 SER 5 2HB SER 5 9.761 -19.692 -9.845
21 HG SER 5 HG SER 5 8.103 -20.268 -11.748
22 H SER 6 H SER 6 5.769 -17.486 -9.193
23 HA SER 6 HA SER 6 5.390 -16.387 -11.902
24 HB2 SER 6 1HB SER 6 3.614 -18.009 -11.191
25 HB3 SER 6 2HB SER 6 3.208 -16.912 -9.871
26 HG SER 6 HG SER 6 1.969 -15.990 -11.289
27 H GLY 7 H GLY 7 4.764 -15.782 -8.448
28 HA2 GLY 7 1HA GLY 7 5.476 -12.973 -8.881
29 HA3 GLY 7 2HA GLY 7 3.893 -13.320 -8.199
30 H GLU 8 H GLU 8 6.223 -11.889 -7.067
31 HA GLU 8 HA GLU 8 6.817 -13.630 -4.771
32 HB2 GLU 8 1HB GLU 8 8.225 -11.119 -5.696
33 HB3 GLU 8 2HB GLU 8 8.685 -12.092 -4.306
34 HG2 GLU 8 1HG GLU 8 8.619 -13.120 -7.131
35 HG3 GLU 8 2HG GLU 8 10.057 -12.476 -6.343
36 H LYS 9 H LYS 9 5.788 -10.358 -5.651
37 HA LYS 9 HA LYS 9 4.923 -8.656 -4.364
38 HB2 LYS 9 1HB LYS 9 3.267 -11.095 -3.788
39 HB3 LYS 9 2HB LYS 9 2.867 -9.549 -3.050
40 HG2 LYS 9 1HG LYS 9 1.561 -9.421 -4.898
41 HG3 LYS 9 2HG LYS 9 3.042 -8.720 -5.556
42 HD2 LYS 9 1HD LYS 9 3.508 -10.560 -6.831
43 HD3 LYS 9 2HD LYS 9 2.707 -11.669 -5.716
44 HE2 LYS 9 1HE LYS 9 0.578 -11.131 -6.538
45 HE3 LYS 9 2HE LYS 9 1.158 -9.665 -7.326
46 HZ1 LYS 9 3HZ LYS 9 2.225 -12.263 -8.182
47 HZ2 LYS 9 1HZ LYS 9 2.031 -10.836 -9.070
48 HZ3 LYS 9 2HZ LYS 9 0.686 -11.796 -8.708
49 HA PRO 10 HA PRO 10 7.153 -10.096 -0.453
50 HB2 PRO 10 1HB PRO 10 9.323 -8.484 -0.710
51 HB3 PRO 10 2HB PRO 10 9.252 -10.115 -1.388
52 HG2 PRO 10 1HG PRO 10 8.817 -7.481 -2.742
53 HG3 PRO 10 2HG PRO 10 9.720 -8.897 -3.312
54 HD2 PRO 10 1HD PRO 10 7.209 -8.335 -4.154
55 HD3 PRO 10 2HD PRO 10 7.812 -9.996 -3.993
56 H PHE 11 H PHE 11 5.753 -7.375 -1.792
57 HA PHE 11 HA PHE 11 5.965 -5.912 0.757
58 HB2 PHE 11 1HB PHE 11 5.599 -4.688 -1.985
59 HB3 PHE 11 2HB PHE 11 5.777 -3.819 -0.464
60 HD1 PHE 11 HD1 PHE 11 7.501 -5.763 -3.039
61 HD2 PHE 11 HD2 PHE 11 7.928 -3.582 0.591
62 HE1 PHE 11 HE1 PHE 11 9.940 -5.714 -3.359
63 HE2 PHE 11 HE2 PHE 11 10.367 -3.529 0.277
64 HZ PHE 11 HZ PHE 11 11.376 -4.595 -1.701
65 H GLY 12 H GLY 12 4.105 -5.444 1.764
66 HA2 GLY 12 1HA GLY 12 1.601 -5.687 0.220
67 HA3 GLY 12 2HA GLY 12 1.780 -6.452 1.792
68 H CYS 13 H CYS 13 0.019 -4.235 0.646
69 HA CYS 13 HA CYS 13 0.710 -1.829 1.969
70 HB2 CYS 13 1HB CYS 13 -0.881 -1.977 0.060
71 HB3 CYS 13 2HB CYS 13 -2.037 -2.770 1.124
72 H SER 14 H SER 14 -0.240 -0.881 3.830
73 HA SER 14 HA SER 14 -0.838 -2.842 5.902
74 HB2 SER 14 1HB SER 14 -0.295 0.131 6.094
75 HB3 SER 14 2HB SER 14 -0.515 -0.953 7.467
76 HG SER 14 HG SER 14 1.598 -0.852 5.605
77 H CYS 15 H CYS 15 -2.310 -0.111 4.251
78 HA CYS 15 HA CYS 15 -4.607 0.057 5.918
79 HB2 CYS 15 1HB CYS 15 -3.797 1.174 3.275
80 HB3 CYS 15 2HB CYS 15 -5.507 1.194 3.688
81 HG CYS 15 HG CYS 15 -5.090 3.593 4.600
82 H CYS 16 H CYS 16 -3.959 -1.516 2.807
83 HA CYS 16 HA CYS 16 -6.512 -2.960 3.090
84 HB2 CYS 16 1HB CYS 16 -6.412 -3.302 0.642
85 HB3 CYS 16 2HB CYS 16 -6.456 -1.596 1.077
86 H GLU 17 H GLU 17 -6.273 -5.086 1.572
87 HA GLU 17 HA GLU 17 -4.023 -6.557 2.758
88 HB2 GLU 17 1HB GLU 17 -5.349 -8.567 2.457
89 HB3 GLU 17 2HB GLU 17 -6.286 -7.359 3.326
90 HG2 GLU 17 1HG GLU 17 -7.246 -6.753 1.020
91 HG3 GLU 17 2HG GLU 17 -6.595 -8.309 0.507
92 H LYS 18 H LYS 18 -3.856 -4.911 0.332
93 HA LYS 18 HA LYS 18 -3.489 -6.911 -1.772
94 HB2 LYS 18 1HB LYS 18 -3.668 -3.922 -1.725
95 HB3 LYS 18 2HB LYS 18 -2.874 -4.718 -3.077
96 HG2 LYS 18 1HG LYS 18 -4.816 -5.666 -3.842
97 HG3 LYS 18 2HG LYS 18 -5.584 -5.637 -2.253
98 HD2 LYS 18 1HD LYS 18 -5.502 -3.072 -2.504
99 HD3 LYS 18 2HD LYS 18 -5.223 -3.398 -4.217
100 HE2 LYS 18 1HE LYS 18 -7.315 -4.354 -4.505
101 HE3 LYS 18 2HE LYS 18 -7.499 -4.711 -2.789
102 HZ1 LYS 18 3HZ LYS 18 -7.896 -2.433 -2.323
103 HZ2 LYS 18 1HZ LYS 18 -8.893 -2.845 -3.626
104 HZ3 LYS 18 2HZ LYS 18 -7.478 -1.958 -3.892
105 H ALA 19 H ALA 19 -1.492 -6.754 -3.103
106 HA ALA 19 HA ALA 19 0.855 -5.788 -1.651
107 HB1 ALA 19 3HB ALA 19 0.812 -8.587 -2.740
108 HB2 ALA 19 1HB ALA 19 2.000 -7.841 -1.670
109 HB3 ALA 19 2HB ALA 19 0.383 -8.216 -1.070
110 H PHE 20 H PHE 20 2.817 -5.788 -2.990
111 HA PHE 20 HA PHE 20 2.318 -5.889 -5.874
112 HB2 PHE 20 1HB PHE 20 3.611 -3.529 -4.491
113 HB3 PHE 20 2HB PHE 20 3.361 -3.712 -6.224
114 HD1 PHE 20 HD2 PHE 20 1.505 -3.547 -3.007
115 HD2 PHE 20 HD1 PHE 20 1.441 -2.879 -7.211
116 HE1 PHE 20 HE2 PHE 20 -0.696 -2.466 -2.799
117 HE2 PHE 20 HE1 PHE 20 -0.759 -1.796 -7.009
118 HZ PHE 20 HZ PHE 20 -1.831 -1.589 -4.801
119 H SER 21 H SER 21 4.247 -6.021 -7.162
120 HA SER 21 HA SER 21 6.272 -7.619 -5.918
121 HB2 SER 21 1HB SER 21 7.295 -7.587 -8.229
122 HB3 SER 21 2HB SER 21 5.641 -8.194 -8.157
123 HG SER 21 HG SER 21 6.385 -5.543 -8.851
124 H SER 22 H SER 22 6.167 -4.381 -7.359
125 HA SER 22 HA SER 22 8.877 -3.875 -6.348
126 HB2 SER 22 1HB SER 22 8.245 -3.419 -8.788
127 HB3 SER 22 2HB SER 22 7.299 -2.063 -8.175
128 HG SER 22 HG SER 22 10.093 -2.470 -8.027
129 H LYS 23 H LYS 23 9.283 -2.397 -4.797
130 HA LYS 23 HA LYS 23 7.285 -1.607 -3.020
131 HB2 LYS 23 1HB LYS 23 9.769 -1.765 -2.571
132 HB3 LYS 23 2HB LYS 23 9.938 -0.211 -3.377
133 HG2 LYS 23 1HG LYS 23 9.808 0.482 -1.216
134 HG3 LYS 23 2HG LYS 23 8.094 0.508 -1.638
135 HD2 LYS 23 1HD LYS 23 7.880 -1.778 -0.693
136 HD3 LYS 23 2HD LYS 23 9.565 -1.683 -0.173
137 HE2 LYS 23 1HE LYS 23 8.772 0.531 0.973
138 HE3 LYS 23 2HE LYS 23 7.174 -0.201 0.834
139 HZ1 LYS 23 3HZ LYS 23 8.228 -2.210 1.941
140 HZ2 LYS 23 1HZ LYS 23 7.963 -0.852 2.916
141 HZ3 LYS 23 2HZ LYS 23 9.517 -1.191 2.341
142 H SER 24 H SER 24 8.951 0.287 -5.526
143 HA SER 24 HA SER 24 7.872 2.764 -5.127
144 HB2 SER 24 1HB SER 24 9.483 1.832 -6.995
145 HB3 SER 24 2HB SER 24 7.995 1.737 -7.936
146 HG SER 24 HG SER 24 9.472 3.910 -7.257
147 H TYR 25 H TYR 25 6.396 0.080 -6.920
148 HA TYR 25 HA TYR 25 4.084 1.423 -7.752
149 HB2 TYR 25 1HB TYR 25 4.877 -1.425 -7.418
150 HB3 TYR 25 2HB TYR 25 3.158 -1.079 -7.573
151 HD1 TYR 25 HD1 TYR 25 2.925 0.978 -9.517
152 HD2 TYR 25 HD2 TYR 25 5.717 -2.230 -9.406
153 HE1 TYR 25 HE1 TYR 25 3.168 1.114 -11.961
154 HE2 TYR 25 HE2 TYR 25 5.969 -2.103 -11.849
155 HH TYR 25 HH TYR 25 4.069 -0.981 -13.838
156 H LEU 26 H LEU 26 4.584 -0.682 -4.921
157 HA LEU 26 HA LEU 26 2.062 -0.528 -3.811
158 HB2 LEU 26 1HB LEU 26 3.566 -2.045 -2.854
159 HB3 LEU 26 2HB LEU 26 4.786 -0.801 -2.588
160 HG LEU 26 HG LEU 26 3.379 0.163 -0.807
161 HD11 LEU 26 1HD1 LEU 26 1.185 -0.410 -1.393
162 HD12 LEU 26 2HD1 LEU 26 1.529 -1.370 0.045
163 HD13 LEU 26 3HD1 LEU 26 1.579 -2.122 -1.549
164 HD21 LEU 26 3HD2 LEU 26 3.709 -1.657 0.822
165 HD22 LEU 26 1HD2 LEU 26 5.117 -1.410 -0.211
166 HD23 LEU 26 2HD2 LEU 26 4.032 -2.768 -0.510
167 H LEU 27 H LEU 27 4.800 1.682 -3.357
168 HA LEU 27 HA LEU 27 3.664 3.368 -1.456
169 HB2 LEU 27 1HB LEU 27 5.700 3.804 -3.612
170 HB3 LEU 27 2HB LEU 27 5.186 5.125 -2.565
171 HG LEU 27 HG LEU 27 6.373 2.555 -1.532
172 HD11 LEU 27 1HD1 LEU 27 8.450 3.306 -1.858
173 HD12 LEU 27 2HD1 LEU 27 8.023 4.958 -1.413
174 HD13 LEU 27 3HD1 LEU 27 7.729 4.383 -3.054
175 HD21 LEU 27 3HD2 LEU 27 6.660 3.775 0.515
176 HD22 LEU 27 1HD2 LEU 27 4.974 3.906 0.015
177 HD23 LEU 27 2HD2 LEU 27 6.074 5.261 -0.235
178 H VAL 28 H VAL 28 3.746 3.814 -4.995
179 HA VAL 28 HA VAL 28 2.185 6.109 -5.124
180 HB VAL 28 HB VAL 28 2.332 3.863 -7.141
181 HG11 VAL 28 1HG1 VAL 28 1.450 6.728 -7.485
182 HG12 VAL 28 2HG1 VAL 28 1.621 5.535 -8.775
183 HG13 VAL 28 3HG1 VAL 28 0.401 5.311 -7.520
184 HG21 VAL 28 3HG2 VAL 28 4.523 4.770 -6.625
185 HG22 VAL 28 1HG2 VAL 28 4.019 5.284 -8.235
186 HG23 VAL 28 2HG2 VAL 28 3.929 6.411 -6.881
187 H HIS 29 H HIS 29 1.213 2.717 -5.012
188 HA HIS 29 HA HIS 29 -1.512 3.048 -5.558
189 HB2 HIS 29 1HB HIS 29 -0.900 0.829 -5.603
190 HB3 HIS 29 2HB HIS 29 0.128 0.971 -4.181
191 HD1 HIS 29 HD1 HIS 29 -3.472 0.530 -5.176
192 HD2 HIS 29 HD2 HIS 29 -1.100 0.399 -1.768
193 HE1 HIS 29 HE1 HIS 29 -4.936 -0.438 -3.375
194 H GLN 30 H GLN 30 0.140 2.845 -2.405
195 HA GLN 30 HA GLN 30 -1.911 3.093 -0.663
196 HB2 GLN 30 1HB GLN 30 0.863 4.183 -0.659
197 HB3 GLN 30 2HB GLN 30 -0.240 4.726 0.599
198 HG2 GLN 30 1HG GLN 30 -0.352 2.672 1.588
199 HG3 GLN 30 2HG GLN 30 -0.005 1.810 0.090
200 HE21 GLN 30 1HE2 GLN 30 1.834 0.763 0.228
201 HE22 GLN 30 2HE2 GLN 30 3.280 1.328 0.986
202 H GLN 31 H GLN 31 -0.475 5.730 -2.535
203 HA GLN 31 HA GLN 31 -1.559 7.967 -1.524
204 HB2 GLN 31 1HB GLN 31 -1.586 7.221 -4.453
205 HB3 GLN 31 2HB GLN 31 -1.751 8.854 -3.821
206 HG2 GLN 31 1HG GLN 31 0.533 8.288 -2.659
207 HG3 GLN 31 2HG GLN 31 0.647 7.104 -3.961
208 HE21 GLN 31 1HE2 GLN 31 2.315 8.092 -5.022
209 HE22 GLN 31 2HE2 GLN 31 2.158 9.611 -5.831
210 H THR 32 H THR 32 -3.317 5.574 -3.443
211 HA THR 32 HA THR 32 -5.699 6.733 -3.944
212 HB THR 32 HB THR 32 -6.799 4.526 -3.504
213 HG1 THR 32 HG1 THR 32 -5.743 2.990 -2.450
214 HG21 THR 32 3HG2 THR 32 -5.292 5.207 -5.559
215 HG22 THR 32 1HG2 THR 32 -5.908 3.563 -5.391
216 HG23 THR 32 2HG2 THR 32 -4.247 3.934 -4.928
217 H HIS 33 H HIS 33 -4.885 5.191 -0.833
218 HA HIS 33 HA HIS 33 -7.270 5.865 0.483
219 HB2 HIS 33 1HB HIS 33 -4.547 5.497 1.745
220 HB3 HIS 33 2HB HIS 33 -6.109 5.319 2.539
221 HD1 HIS 33 HD1 HIS 33 -7.630 3.289 1.513
222 HD2 HIS 33 HD2 HIS 33 -3.549 3.183 0.741
223 HE1 HIS 33 HE1 HIS 33 -7.134 0.917 0.841
224 H ALA 34 H ALA 34 -4.201 7.583 0.178
225 HA ALA 34 HA ALA 34 -4.690 9.640 2.010
226 HB1 ALA 34 3HB ALA 34 -3.114 9.907 -0.543
227 HB2 ALA 34 1HB ALA 34 -2.922 10.835 0.945
228 HB3 ALA 34 2HB ALA 34 -2.503 9.122 0.914
229 H GLU 35 H GLU 35 -5.865 9.122 -1.223
230 HA GLU 35 HA GLU 35 -6.566 11.637 -2.065
231 HB2 GLU 35 1HB GLU 35 -6.920 9.373 -3.223
232 HB3 GLU 35 2HB GLU 35 -8.443 9.300 -2.349
233 HG2 GLU 35 1HG GLU 35 -9.110 11.431 -3.393
234 HG3 GLU 35 2HG GLU 35 -7.612 11.414 -4.322
235 H GLU 36 H GLU 36 -8.189 9.614 0.316
236 HA GLU 36 HA GLU 36 -10.549 11.081 0.604
237 HB2 GLU 36 1HB GLU 36 -10.129 8.834 1.586
238 HB3 GLU 36 2HB GLU 36 -9.062 9.582 2.766
239 HG2 GLU 36 1HG GLU 36 -10.868 10.785 3.750
240 HG3 GLU 36 2HG GLU 36 -11.965 10.297 2.459
241 H LYS 37 H LYS 37 -7.330 11.658 1.805
242 HA LYS 37 HA LYS 37 -6.384 13.434 2.865
243 HB2 LYS 37 1HB LYS 37 -8.858 14.600 1.697
244 HB3 LYS 37 2HB LYS 37 -8.022 15.546 2.921
245 HG2 LYS 37 1HG LYS 37 -6.984 16.343 1.070
246 HG3 LYS 37 2HG LYS 37 -5.927 14.971 1.412
247 HD2 LYS 37 1HD LYS 37 -6.782 13.711 -0.325
248 HD3 LYS 37 2HD LYS 37 -8.310 14.594 -0.350
249 HE2 LYS 37 1HE LYS 37 -7.110 16.565 -1.237
250 HE3 LYS 37 2HE LYS 37 -5.628 15.612 -1.286
251 HZ1 LYS 37 3HZ LYS 37 -6.384 14.356 -3.027
252 HZ2 LYS 37 1HZ LYS 37 -7.113 15.839 -3.390
253 HZ3 LYS 37 2HZ LYS 37 -8.018 14.607 -2.666
254 HA PRO 38 HA PRO 38 -9.179 12.418 6.549
255 HB2 PRO 38 1HB PRO 38 -7.547 10.585 7.711
256 HB3 PRO 38 2HB PRO 38 -8.789 10.153 6.530
257 HG2 PRO 38 1HG PRO 38 -5.846 10.531 6.131
258 HG3 PRO 38 2HG PRO 38 -6.911 9.268 5.483
259 HD2 PRO 38 1HD PRO 38 -6.121 11.403 4.016
260 HD3 PRO 38 2HD PRO 38 -7.702 10.625 3.797
261 H SER 39 H SER 39 -5.789 13.092 6.051
262 HA SER 39 HA SER 39 -5.800 14.748 8.469
263 HB2 SER 39 1HB SER 39 -4.680 12.466 8.850
264 HB3 SER 39 2HB SER 39 -3.405 13.050 7.782
265 HG SER 39 HG SER 39 -4.002 13.758 10.377
266 H GLY 40 H GLY 40 -4.998 16.724 8.125
267 HA2 GLY 40 1HA GLY 40 -4.236 17.569 5.542
268 HA3 GLY 40 2HA GLY 40 -4.088 18.516 7.016
269 HA PRO 41 HA PRO 41 0.276 18.246 6.586
270 HB2 PRO 41 1HB PRO 41 1.001 18.757 9.152
271 HB3 PRO 41 2HB PRO 41 0.381 20.004 8.063
272 HG2 PRO 41 1HG PRO 41 -1.052 18.468 10.196
273 HG3 PRO 41 2HG PRO 41 -1.142 20.196 9.809
274 HD2 PRO 41 1HD PRO 41 -3.026 18.424 9.008
275 HD3 PRO 41 2HD PRO 41 -2.594 19.856 8.051
276 H SER 42 H SER 42 2.189 17.130 7.549
277 HA SER 42 HA SER 42 3.275 15.221 8.142
278 HB2 SER 42 1HB SER 42 0.933 15.130 10.037
279 HB3 SER 42 2HB SER 42 2.172 13.876 10.035
280 HG SER 42 HG SER 42 2.428 16.619 10.644
281 H SER 43 H SER 43 1.762 15.089 5.825
282 HA SER 43 HA SER 43 0.619 12.376 5.907
283 HB2 SER 43 1HB SER 43 -0.475 13.038 3.729
284 HB3 SER 43 2HB SER 43 -1.028 13.941 5.139
285 HG SER 43 HG SER 43 -0.514 15.217 3.220
286 H GLY 44 H GLY 44 2.282 14.493 3.556
287 HA2 GLY 44 1HA GLY 44 4.280 12.450 3.075
288 HA3 GLY 44 2HA GLY 44 3.180 12.730 1.733
Start of MODEL 11
1 H1 GLY 1 H GLY 1 9.349 -16.095 -23.180
2 HA2 GLY 1 1HA GLY 1 8.636 -13.778 -22.073
3 HA3 GLY 1 2HA GLY 1 8.296 -14.100 -23.767
4 H SER 2 H SER 2 6.910 -14.894 -20.577
5 HA SER 2 HA SER 2 4.265 -14.217 -21.687
6 HB2 SER 2 1HB SER 2 3.271 -15.960 -20.315
7 HB3 SER 2 2HB SER 2 4.541 -16.663 -21.315
8 HG SER 2 HG SER 2 4.335 -16.578 -18.624
9 H SER 3 H SER 3 2.753 -13.279 -20.242
10 HA SER 3 HA SER 3 3.995 -11.573 -18.271
11 HB2 SER 3 1HB SER 3 2.346 -10.526 -19.641
12 HB3 SER 3 2HB SER 3 1.171 -11.801 -19.321
13 HG SER 3 HG SER 3 2.120 -9.808 -17.550
14 H GLY 4 H GLY 4 4.598 -12.840 -16.543
15 HA2 GLY 4 1HA GLY 4 3.111 -14.879 -15.356
16 HA3 GLY 4 2HA GLY 4 4.337 -13.923 -14.537
17 H SER 5 H SER 5 1.982 -14.930 -13.324
18 HA SER 5 HA SER 5 0.439 -12.464 -12.862
19 HB2 SER 5 1HB SER 5 -0.788 -14.525 -13.701
20 HB3 SER 5 2HB SER 5 -0.427 -15.268 -12.143
21 HG SER 5 HG SER 5 -2.502 -13.932 -12.570
22 H SER 6 H SER 6 1.810 -15.295 -11.205
23 HA SER 6 HA SER 6 1.827 -13.737 -8.707
24 HB2 SER 6 1HB SER 6 1.717 -15.759 -7.491
25 HB3 SER 6 2HB SER 6 0.597 -15.991 -8.833
26 HG SER 6 HG SER 6 2.308 -17.107 -9.918
27 H GLY 7 H GLY 7 3.688 -14.119 -7.255
28 HA2 GLY 7 1HA GLY 7 6.126 -15.141 -8.404
29 HA3 GLY 7 2HA GLY 7 6.090 -13.388 -8.290
30 H GLU 8 H GLU 8 6.288 -12.397 -6.307
31 HA GLU 8 HA GLU 8 6.660 -14.162 -3.983
32 HB2 GLU 8 1HB GLU 8 8.508 -12.039 -5.032
33 HB3 GLU 8 2HB GLU 8 8.501 -12.454 -3.324
34 HG2 GLU 8 1HG GLU 8 9.012 -14.375 -5.584
35 HG3 GLU 8 2HG GLU 8 10.245 -13.639 -4.560
36 H LYS 9 H LYS 9 6.039 -10.891 -5.164
37 HA LYS 9 HA LYS 9 5.163 -9.044 -4.097
38 HB2 LYS 9 1HB LYS 9 3.196 -11.221 -3.365
39 HB3 LYS 9 2HB LYS 9 2.866 -9.496 -3.261
40 HG2 LYS 9 1HG LYS 9 3.244 -9.311 -5.693
41 HG3 LYS 9 2HG LYS 9 3.464 -11.062 -5.763
42 HD2 LYS 9 1HD LYS 9 1.222 -11.468 -5.155
43 HD3 LYS 9 2HD LYS 9 0.980 -9.800 -4.629
44 HE2 LYS 9 1HE LYS 9 1.722 -10.339 -7.467
45 HE3 LYS 9 2HE LYS 9 0.064 -10.632 -6.945
46 HZ1 LYS 9 3HZ LYS 9 0.221 -8.271 -5.995
47 HZ2 LYS 9 1HZ LYS 9 0.030 -8.449 -7.667
48 HZ3 LYS 9 2HZ LYS 9 1.552 -8.087 -7.023
49 HA PRO 10 HA PRO 10 6.706 -10.395 0.160
50 HB2 PRO 10 1HB PRO 10 9.009 -8.959 0.134
51 HB3 PRO 10 2HB PRO 10 8.906 -10.619 -0.463
52 HG2 PRO 10 1HG PRO 10 8.870 -8.048 -1.997
53 HG3 PRO 10 2HG PRO 10 9.729 -9.556 -2.360
54 HD2 PRO 10 1HD PRO 10 7.410 -8.871 -3.579
55 HD3 PRO 10 2HD PRO 10 7.854 -10.558 -3.250
56 H PHE 11 H PHE 11 5.621 -7.721 -1.462
57 HA PHE 11 HA PHE 11 5.753 -6.041 0.956
58 HB2 PHE 11 1HB PHE 11 5.742 -5.282 -1.961
59 HB3 PHE 11 2HB PHE 11 5.332 -4.127 -0.697
60 HD1 PHE 11 HD1 PHE 11 8.008 -6.209 -2.112
61 HD2 PHE 11 HD2 PHE 11 7.009 -3.183 0.710
62 HE1 PHE 11 HE1 PHE 11 10.399 -5.727 -1.787
63 HE2 PHE 11 HE2 PHE 11 9.398 -2.695 1.038
64 HZ PHE 11 HZ PHE 11 11.096 -3.967 -0.212
65 H GLY 12 H GLY 12 3.885 -5.558 1.917
66 HA2 GLY 12 1HA GLY 12 1.401 -5.817 0.344
67 HA3 GLY 12 2HA GLY 12 1.543 -6.546 1.937
68 H CYS 13 H CYS 13 -0.243 -4.408 0.812
69 HA CYS 13 HA CYS 13 0.502 -1.966 2.101
70 HB2 CYS 13 1HB CYS 13 -0.965 -2.006 0.122
71 HB3 CYS 13 2HB CYS 13 -2.191 -2.861 1.051
72 H SER 14 H SER 14 -0.857 -0.927 3.777
73 HA SER 14 HA SER 14 -1.483 -2.874 5.878
74 HB2 SER 14 1HB SER 14 0.165 -1.179 6.480
75 HB3 SER 14 2HB SER 14 -0.960 0.105 6.037
76 HG SER 14 HG SER 14 -0.703 -0.995 8.381
77 H CYS 15 H CYS 15 -2.840 -0.137 4.122
78 HA CYS 15 HA CYS 15 -5.268 -0.016 5.596
79 HB2 CYS 15 1HB CYS 15 -4.329 1.103 2.977
80 HB3 CYS 15 2HB CYS 15 -6.030 1.207 3.413
81 HG CYS 15 HG CYS 15 -5.367 3.613 4.237
82 H CYS 16 H CYS 16 -4.329 -1.564 2.553
83 HA CYS 16 HA CYS 16 -6.878 -3.043 2.608
84 HB2 CYS 16 1HB CYS 16 -6.750 -3.235 0.198
85 HB3 CYS 16 2HB CYS 16 -6.606 -1.538 0.646
86 H GLU 17 H GLU 17 -6.555 -5.143 1.142
87 HA GLU 17 HA GLU 17 -4.322 -6.585 2.384
88 HB2 GLU 17 1HB GLU 17 -7.043 -7.362 1.451
89 HB3 GLU 17 2HB GLU 17 -5.774 -8.577 1.387
90 HG2 GLU 17 1HG GLU 17 -5.411 -8.437 3.732
91 HG3 GLU 17 2HG GLU 17 -6.456 -7.024 3.867
92 H LYS 18 H LYS 18 -4.059 -4.878 0.006
93 HA LYS 18 HA LYS 18 -3.559 -6.799 -2.135
94 HB2 LYS 18 1HB LYS 18 -3.323 -3.785 -2.097
95 HB3 LYS 18 2HB LYS 18 -3.087 -4.802 -3.512
96 HG2 LYS 18 1HG LYS 18 -5.369 -5.430 -3.555
97 HG3 LYS 18 2HG LYS 18 -5.659 -4.732 -1.959
98 HD2 LYS 18 1HD LYS 18 -5.341 -2.510 -2.809
99 HD3 LYS 18 2HD LYS 18 -4.823 -3.134 -4.377
100 HE2 LYS 18 1HE LYS 18 -7.023 -4.017 -4.805
101 HE3 LYS 18 2HE LYS 18 -7.556 -3.579 -3.182
102 HZ1 LYS 18 3HZ LYS 18 -6.776 -1.214 -4.036
103 HZ2 LYS 18 1HZ LYS 18 -8.341 -1.798 -4.306
104 HZ3 LYS 18 2HZ LYS 18 -7.179 -1.894 -5.531
105 H ALA 19 H ALA 19 -1.515 -6.983 -3.160
106 HA ALA 19 HA ALA 19 0.770 -5.977 -1.606
107 HB1 ALA 19 3HB ALA 19 0.428 -8.272 -0.923
108 HB2 ALA 19 1HB ALA 19 0.422 -8.801 -2.605
109 HB3 ALA 19 2HB ALA 19 1.897 -8.151 -1.891
110 H PHE 20 H PHE 20 2.723 -5.728 -2.782
111 HA PHE 20 HA PHE 20 2.457 -5.881 -5.706
112 HB2 PHE 20 1HB PHE 20 3.605 -3.555 -4.148
113 HB3 PHE 20 2HB PHE 20 3.616 -3.710 -5.902
114 HD1 PHE 20 HD2 PHE 20 1.235 -3.728 -3.035
115 HD2 PHE 20 HD1 PHE 20 1.932 -2.716 -7.110
116 HE1 PHE 20 HE2 PHE 20 -0.971 -2.642 -3.139
117 HE2 PHE 20 HE1 PHE 20 -0.272 -1.628 -7.220
118 HZ PHE 20 HZ PHE 20 -1.727 -1.591 -5.234
119 H SER 21 H SER 21 4.526 -5.867 -6.851
120 HA SER 21 HA SER 21 6.445 -7.533 -5.483
121 HB2 SER 21 1HB SER 21 5.741 -7.933 -7.853
122 HB3 SER 21 2HB SER 21 6.572 -6.444 -8.304
123 HG SER 21 HG SER 21 8.387 -7.659 -7.036
124 H SER 22 H SER 22 6.442 -4.332 -7.015
125 HA SER 22 HA SER 22 9.049 -3.790 -5.768
126 HB2 SER 22 1HB SER 22 7.655 -2.363 -8.046
127 HB3 SER 22 2HB SER 22 9.231 -1.926 -7.387
128 HG SER 22 HG SER 22 10.114 -3.548 -8.412
129 H LYS 23 H LYS 23 9.338 -2.073 -4.408
130 HA LYS 23 HA LYS 23 7.175 -1.190 -2.870
131 HB2 LYS 23 1HB LYS 23 9.691 -1.224 -2.305
132 HB3 LYS 23 2HB LYS 23 9.757 0.339 -3.108
133 HG2 LYS 23 1HG LYS 23 7.865 1.014 -1.510
134 HG3 LYS 23 2HG LYS 23 8.326 -0.421 -0.591
135 HD2 LYS 23 1HD LYS 23 10.688 0.488 -0.609
136 HD3 LYS 23 2HD LYS 23 10.009 1.993 -1.233
137 HE2 LYS 23 1HE LYS 23 9.053 0.689 1.306
138 HE3 LYS 23 2HE LYS 23 10.356 1.876 1.270
139 HZ1 LYS 23 3HZ LYS 23 8.543 3.192 1.669
140 HZ2 LYS 23 1HZ LYS 23 7.492 2.247 0.739
141 HZ3 LYS 23 2HZ LYS 23 8.604 3.271 -0.020
142 H SER 24 H SER 24 9.089 0.607 -5.282
143 HA SER 24 HA SER 24 7.944 3.042 -5.270
144 HB2 SER 24 1HB SER 24 8.780 1.337 -7.606
145 HB3 SER 24 2HB SER 24 8.173 2.975 -7.844
146 HG SER 24 HG SER 24 9.846 3.579 -6.247
147 H TYR 25 H TYR 25 6.581 0.209 -6.929
148 HA TYR 25 HA TYR 25 4.283 1.502 -7.917
149 HB2 TYR 25 1HB TYR 25 5.132 -1.322 -7.521
150 HB3 TYR 25 2HB TYR 25 3.414 -1.021 -7.759
151 HD1 TYR 25 HD1 TYR 25 3.061 0.847 -9.763
152 HD2 TYR 25 HD2 TYR 25 6.245 -1.955 -9.428
153 HE1 TYR 25 HE1 TYR 25 3.415 0.968 -12.194
154 HE2 TYR 25 HE2 TYR 25 6.608 -1.841 -11.858
155 HH TYR 25 HH TYR 25 5.750 0.417 -13.743
156 H LEU 26 H LEU 26 4.745 -0.524 -5.026
157 HA LEU 26 HA LEU 26 2.176 -0.477 -4.024
158 HB2 LEU 26 1HB LEU 26 3.775 -1.869 -2.986
159 HB3 LEU 26 2HB LEU 26 4.842 -0.510 -2.639
160 HG LEU 26 HG LEU 26 3.116 0.317 -1.020
161 HD11 LEU 26 1HD1 LEU 26 1.557 -1.547 -0.214
162 HD12 LEU 26 2HD1 LEU 26 1.846 -2.289 -1.787
163 HD13 LEU 26 3HD1 LEU 26 1.118 -0.686 -1.689
164 HD21 LEU 26 3HD2 LEU 26 4.315 -2.409 -0.549
165 HD22 LEU 26 1HD2 LEU 26 3.674 -1.353 0.710
166 HD23 LEU 26 2HD2 LEU 26 5.077 -0.850 -0.233
167 H LEU 27 H LEU 27 4.766 1.895 -3.509
168 HA LEU 27 HA LEU 27 3.501 3.570 -1.706
169 HB2 LEU 27 1HB LEU 27 5.407 4.226 -3.943
170 HB3 LEU 27 2HB LEU 27 4.915 5.383 -2.707
171 HG LEU 27 HG LEU 27 6.359 2.797 -2.136
172 HD11 LEU 27 1HD1 LEU 27 8.369 3.890 -2.168
173 HD12 LEU 27 2HD1 LEU 27 7.640 5.474 -1.903
174 HD13 LEU 27 3HD1 LEU 27 7.539 4.712 -3.490
175 HD21 LEU 27 3HD2 LEU 27 6.841 4.249 -0.004
176 HD22 LEU 27 1HD2 LEU 27 5.342 3.332 -0.151
177 HD23 LEU 27 2HD2 LEU 27 5.352 5.064 -0.484
178 H VAL 28 H VAL 28 3.615 4.030 -5.245
179 HA VAL 28 HA VAL 28 1.897 6.158 -5.471
180 HB VAL 28 HB VAL 28 2.113 3.813 -7.364
181 HG11 VAL 28 1HG1 VAL 28 0.117 5.068 -7.849
182 HG12 VAL 28 2HG1 VAL 28 1.010 6.589 -7.778
183 HG13 VAL 28 3HG1 VAL 28 1.335 5.434 -9.071
184 HG21 VAL 28 3HG2 VAL 28 4.173 5.292 -6.665
185 HG22 VAL 28 1HG2 VAL 28 3.919 4.827 -8.348
186 HG23 VAL 28 2HG2 VAL 28 3.454 6.438 -7.798
187 H HIS 29 H HIS 29 1.079 2.730 -5.201
188 HA HIS 29 HA HIS 29 -1.682 2.959 -5.660
189 HB2 HIS 29 1HB HIS 29 -0.994 0.763 -5.730
190 HB3 HIS 29 2HB HIS 29 0.086 0.944 -4.352
191 HD1 HIS 29 HD1 HIS 29 -3.539 0.389 -5.193
192 HD2 HIS 29 HD2 HIS 29 -1.014 0.318 -1.894
193 HE1 HIS 29 HE1 HIS 29 -4.891 -0.630 -3.333
194 H GLN 30 H GLN 30 0.003 2.607 -2.532
195 HA GLN 30 HA GLN 30 -2.047 2.921 -0.792
196 HB2 GLN 30 1HB GLN 30 0.628 4.296 -0.499
197 HB3 GLN 30 2HB GLN 30 -0.471 3.861 0.803
198 HG2 GLN 30 1HG GLN 30 -0.153 1.448 -0.237
199 HG3 GLN 30 2HG GLN 30 1.362 2.162 -0.786
200 HE21 GLN 30 1HE2 GLN 30 0.477 0.135 1.351
201 HE22 GLN 30 2HE2 GLN 30 1.367 0.624 2.749
202 H GLN 31 H GLN 31 -0.399 5.516 -2.540
203 HA GLN 31 HA GLN 31 -1.301 7.786 -1.422
204 HB2 GLN 31 1HB GLN 31 -1.388 7.192 -4.385
205 HB3 GLN 31 2HB GLN 31 -1.396 8.797 -3.667
206 HG2 GLN 31 1HG GLN 31 0.819 8.447 -2.770
207 HG3 GLN 31 2HG GLN 31 0.829 6.791 -3.375
208 HE21 GLN 31 1HE2 GLN 31 2.793 8.650 -4.008
209 HE22 GLN 31 2HE2 GLN 31 2.701 9.005 -5.696
210 H THR 32 H THR 32 -3.235 5.652 -3.480
211 HA THR 32 HA THR 32 -5.520 7.073 -3.858
212 HB THR 32 HB THR 32 -6.782 4.937 -3.753
213 HG1 THR 32 HG1 THR 32 -4.394 3.558 -3.225
214 HG21 THR 32 3HG2 THR 32 -4.930 3.705 -5.300
215 HG22 THR 32 1HG2 THR 32 -4.317 5.358 -5.313
216 HG23 THR 32 2HG2 THR 32 -5.961 5.023 -5.857
217 H HIS 33 H HIS 33 -4.726 5.193 -0.943
218 HA HIS 33 HA HIS 33 -7.079 5.731 0.475
219 HB2 HIS 33 1HB HIS 33 -4.293 5.194 1.526
220 HB3 HIS 33 2HB HIS 33 -5.763 5.140 2.494
221 HD1 HIS 33 HD1 HIS 33 -7.633 3.366 1.321
222 HD2 HIS 33 HD2 HIS 33 -3.575 2.738 0.688
223 HE1 HIS 33 HE1 HIS 33 -7.423 0.954 0.642
224 H ALA 34 H ALA 34 -4.037 7.511 0.262
225 HA ALA 34 HA ALA 34 -4.444 9.381 2.276
226 HB1 ALA 34 3HB ALA 34 -2.412 9.909 1.555
227 HB2 ALA 34 1HB ALA 34 -2.681 9.067 0.029
228 HB3 ALA 34 2HB ALA 34 -3.163 10.756 0.202
229 H GLU 35 H GLU 35 -5.592 9.370 -1.066
230 HA GLU 35 HA GLU 35 -6.650 11.980 -1.089
231 HB2 GLU 35 1HB GLU 35 -7.356 9.514 -2.679
232 HB3 GLU 35 2HB GLU 35 -8.080 11.088 -2.979
233 HG2 GLU 35 1HG GLU 35 -6.144 11.977 -3.823
234 HG3 GLU 35 2HG GLU 35 -5.114 10.849 -2.944
235 H GLU 36 H GLU 36 -8.350 8.864 -0.712
236 HA GLU 36 HA GLU 36 -10.545 8.502 -0.051
237 HB2 GLU 36 1HB GLU 36 -10.758 8.862 2.367
238 HB3 GLU 36 2HB GLU 36 -9.186 8.195 1.953
239 HG2 GLU 36 1HG GLU 36 -8.601 9.806 3.463
240 HG3 GLU 36 2HG GLU 36 -8.440 10.691 1.947
241 H LYS 37 H LYS 37 -10.380 10.895 -1.592
242 HA LYS 37 HA LYS 37 -11.553 13.142 -0.458
243 HB2 LYS 37 1HB LYS 37 -10.651 13.274 -2.668
244 HB3 LYS 37 2HB LYS 37 -11.736 12.020 -3.254
245 HG2 LYS 37 1HG LYS 37 -13.576 13.749 -2.477
246 HG3 LYS 37 2HG LYS 37 -12.257 14.893 -2.733
247 HD2 LYS 37 1HD LYS 37 -12.941 12.853 -4.819
248 HD3 LYS 37 2HD LYS 37 -13.853 14.360 -4.698
249 HE2 LYS 37 1HE LYS 37 -12.068 15.648 -5.340
250 HE3 LYS 37 2HE LYS 37 -10.880 14.497 -4.731
251 HZ1 LYS 37 3HZ LYS 37 -12.183 14.618 -7.323
252 HZ2 LYS 37 1HZ LYS 37 -11.993 13.068 -6.673
253 HZ3 LYS 37 2HZ LYS 37 -10.641 14.057 -6.910
254 HA PRO 38 HA PRO 38 -15.672 11.926 0.515
255 HB2 PRO 38 1HB PRO 38 -16.856 14.368 0.483
256 HB3 PRO 38 2HB PRO 38 -15.777 13.841 1.780
257 HG2 PRO 38 1HG PRO 38 -15.190 15.588 -0.579
258 HG3 PRO 38 2HG PRO 38 -14.687 15.782 1.110
259 HD2 PRO 38 1HD PRO 38 -13.042 14.784 -0.795
260 HD3 PRO 38 2HD PRO 38 -12.963 14.267 0.902
261 H SER 39 H SER 39 -17.805 11.817 -0.368
262 HA SER 39 HA SER 39 -17.820 11.788 -3.249
263 HB2 SER 39 1HB SER 39 -20.133 10.872 -2.954
264 HB3 SER 39 2HB SER 39 -18.895 9.957 -2.093
265 HG SER 39 HG SER 39 -21.046 10.848 -1.047
266 H GLY 40 H GLY 40 -19.511 12.791 -4.541
267 HA2 GLY 40 1HA GLY 40 -20.063 15.502 -3.576
268 HA3 GLY 40 2HA GLY 40 -20.117 14.970 -5.250
269 HA PRO 41 HA PRO 41 -24.495 14.838 -4.937
270 HB2 PRO 41 1HB PRO 41 -25.036 13.123 -6.971
271 HB3 PRO 41 2HB PRO 41 -24.513 14.790 -7.234
272 HG2 PRO 41 1HG PRO 41 -22.908 12.264 -7.324
273 HG3 PRO 41 2HG PRO 41 -22.867 13.656 -8.423
274 HD2 PRO 41 1HD PRO 41 -21.027 13.285 -6.471
275 HD3 PRO 41 2HD PRO 41 -21.545 14.898 -7.001
276 H SER 42 H SER 42 -24.825 13.816 -2.946
277 HA SER 42 HA SER 42 -25.582 11.000 -3.155
278 HB2 SER 42 1HB SER 42 -24.462 10.460 -1.022
279 HB3 SER 42 2HB SER 42 -23.304 10.961 -2.254
280 HG SER 42 HG SER 42 -23.435 11.933 0.098
281 H SER 43 H SER 43 -27.585 10.782 -2.438
282 HA SER 43 HA SER 43 -28.529 12.595 -0.315
283 HB2 SER 43 1HB SER 43 -30.152 11.470 -2.611
284 HB3 SER 43 2HB SER 43 -30.756 12.531 -1.338
285 HG SER 43 HG SER 43 -30.152 13.578 -3.366
286 H GLY 44 H GLY 44 -27.877 10.972 1.218
287 HA2 GLY 44 1HA GLY 44 -29.929 8.892 1.508
288 HA3 GLY 44 2HA GLY 44 -28.239 8.417 1.564
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -7.818 -21.696 -4.766
2 HA2 GLY 1 1HA GLY 1 -6.519 -20.250 -3.205
3 HA3 GLY 1 2HA GLY 1 -6.074 -21.737 -2.380
4 H SER 2 H SER 2 -4.036 -20.210 -3.074
5 HA SER 2 HA SER 2 -2.598 -21.837 -4.937
6 HB2 SER 2 1HB SER 2 -2.193 -20.288 -6.670
7 HB3 SER 2 2HB SER 2 -3.926 -20.162 -6.371
8 HG SER 2 HG SER 2 -3.595 -18.267 -5.279
9 H SER 3 H SER 3 -0.319 -21.193 -5.106
10 HA SER 3 HA SER 3 0.951 -20.824 -2.751
11 HB2 SER 3 1HB SER 3 1.853 -19.859 -5.473
12 HB3 SER 3 2HB SER 3 2.907 -19.950 -4.062
13 HG SER 3 HG SER 3 1.798 -22.002 -5.600
14 H GLY 4 H GLY 4 1.133 -19.261 -1.289
15 HA2 GLY 4 1HA GLY 4 0.024 -16.647 -1.840
16 HA3 GLY 4 2HA GLY 4 0.630 -17.222 -0.293
17 H SER 5 H SER 5 2.239 -15.995 0.398
18 HA SER 5 HA SER 5 3.876 -14.501 -1.456
19 HB2 SER 5 1HB SER 5 3.001 -13.709 0.851
20 HB3 SER 5 2HB SER 5 4.341 -14.644 1.514
21 HG SER 5 HG SER 5 5.539 -12.994 1.055
22 H SER 6 H SER 6 4.212 -17.226 -1.835
23 HA SER 6 HA SER 6 6.327 -18.410 -0.442
24 HB2 SER 6 1HB SER 6 4.735 -19.484 -2.138
25 HB3 SER 6 2HB SER 6 5.811 -18.848 -3.382
26 HG SER 6 HG SER 6 6.983 -20.259 -1.289
27 H GLY 7 H GLY 7 6.378 -16.537 -3.472
28 HA2 GLY 7 1HA GLY 7 8.965 -15.454 -2.835
29 HA3 GLY 7 2HA GLY 7 9.024 -16.640 -4.130
30 H GLU 8 H GLU 8 6.231 -14.611 -3.692
31 HA GLU 8 HA GLU 8 7.117 -12.771 -5.777
32 HB2 GLU 8 1HB GLU 8 4.966 -14.802 -6.069
33 HB3 GLU 8 2HB GLU 8 4.659 -13.205 -6.737
34 HG2 GLU 8 1HG GLU 8 7.174 -14.695 -7.377
35 HG3 GLU 8 2HG GLU 8 5.678 -14.996 -8.259
36 H LYS 9 H LYS 9 6.346 -10.752 -5.517
37 HA LYS 9 HA LYS 9 5.296 -8.967 -4.577
38 HB2 LYS 9 1HB LYS 9 3.102 -11.001 -4.139
39 HB3 LYS 9 2HB LYS 9 2.916 -9.268 -3.903
40 HG2 LYS 9 1HG LYS 9 3.674 -9.064 -6.351
41 HG3 LYS 9 2HG LYS 9 3.305 -10.787 -6.451
42 HD2 LYS 9 1HD LYS 9 1.019 -10.274 -5.594
43 HD3 LYS 9 2HD LYS 9 1.416 -8.557 -5.703
44 HE2 LYS 9 1HE LYS 9 1.508 -8.601 -8.026
45 HE3 LYS 9 2HE LYS 9 1.740 -10.348 -8.081
46 HZ1 LYS 9 3HZ LYS 9 -0.609 -9.065 -8.478
47 HZ2 LYS 9 1HZ LYS 9 -0.743 -9.563 -6.867
48 HZ3 LYS 9 2HZ LYS 9 -0.447 -10.701 -8.083
49 HA PRO 10 HA PRO 10 6.427 -10.742 -0.347
50 HB2 PRO 10 1HB PRO 10 8.846 -9.530 -0.129
51 HB3 PRO 10 2HB PRO 10 8.635 -11.129 -0.853
52 HG2 PRO 10 1HG PRO 10 8.930 -8.467 -2.192
53 HG3 PRO 10 2HG PRO 10 9.674 -10.021 -2.614
54 HD2 PRO 10 1HD PRO 10 7.510 -9.040 -3.914
55 HD3 PRO 10 2HD PRO 10 7.779 -10.780 -3.685
56 H PHE 11 H PHE 11 5.669 -7.886 -1.821
57 HA PHE 11 HA PHE 11 5.926 -6.328 0.663
58 HB2 PHE 11 1HB PHE 11 5.719 -5.470 -2.222
59 HB3 PHE 11 2HB PHE 11 5.494 -4.348 -0.885
60 HD1 PHE 11 HD1 PHE 11 7.918 -6.659 -2.453
61 HD2 PHE 11 HD2 PHE 11 7.331 -3.406 0.228
62 HE1 PHE 11 HE1 PHE 11 10.352 -6.321 -2.336
63 HE2 PHE 11 HE2 PHE 11 9.764 -3.062 0.349
64 HZ PHE 11 HZ PHE 11 11.278 -4.520 -0.934
65 H GLY 12 H GLY 12 4.144 -5.858 1.773
66 HA2 GLY 12 1HA GLY 12 1.549 -6.045 0.369
67 HA3 GLY 12 2HA GLY 12 1.790 -6.702 1.981
68 H CYS 13 H CYS 13 -0.069 -4.623 0.963
69 HA CYS 13 HA CYS 13 0.835 -2.128 2.065
70 HB2 CYS 13 1HB CYS 13 -0.769 -2.258 0.172
71 HB3 CYS 13 2HB CYS 13 -1.959 -2.963 1.261
72 H SER 14 H SER 14 0.016 -1.074 3.909
73 HA SER 14 HA SER 14 -0.694 -2.905 6.056
74 HB2 SER 14 1HB SER 14 1.083 -1.359 6.555
75 HB3 SER 14 2HB SER 14 0.099 0.014 6.051
76 HG SER 14 HG SER 14 -1.197 -0.275 7.829
77 H CYS 15 H CYS 15 -2.044 -0.192 4.284
78 HA CYS 15 HA CYS 15 -4.314 0.165 5.967
79 HB2 CYS 15 1HB CYS 15 -3.555 1.098 3.219
80 HB3 CYS 15 2HB CYS 15 -5.196 1.339 3.807
81 HG CYS 15 HG CYS 15 -3.136 2.356 6.131
82 H CYS 16 H CYS 16 -3.770 -1.537 2.904
83 HA CYS 16 HA CYS 16 -6.347 -2.908 3.307
84 HB2 CYS 16 1HB CYS 16 -6.508 -3.157 0.882
85 HB3 CYS 16 2HB CYS 16 -6.360 -1.457 1.317
86 H GLU 17 H GLU 17 -6.228 -4.991 1.692
87 HA GLU 17 HA GLU 17 -3.956 -6.532 2.729
88 HB2 GLU 17 1HB GLU 17 -6.636 -7.428 1.657
89 HB3 GLU 17 2HB GLU 17 -5.356 -8.521 2.165
90 HG2 GLU 17 1HG GLU 17 -5.532 -7.835 4.417
91 HG3 GLU 17 2HG GLU 17 -6.551 -6.461 3.992
92 H LYS 18 H LYS 18 -3.814 -4.768 0.387
93 HA LYS 18 HA LYS 18 -3.579 -6.613 -1.856
94 HB2 LYS 18 1HB LYS 18 -3.177 -3.624 -1.657
95 HB3 LYS 18 2HB LYS 18 -2.985 -4.550 -3.140
96 HG2 LYS 18 1HG LYS 18 -5.312 -5.174 -3.105
97 HG3 LYS 18 2HG LYS 18 -5.532 -4.383 -1.542
98 HD2 LYS 18 1HD LYS 18 -5.437 -2.271 -2.447
99 HD3 LYS 18 2HD LYS 18 -4.467 -2.790 -3.828
100 HE2 LYS 18 1HE LYS 18 -6.692 -2.228 -4.573
101 HE3 LYS 18 2HE LYS 18 -6.443 -3.967 -4.728
102 HZ1 LYS 18 3HZ LYS 18 -8.410 -2.582 -3.243
103 HZ2 LYS 18 1HZ LYS 18 -7.491 -3.549 -2.202
104 HZ3 LYS 18 2HZ LYS 18 -8.271 -4.243 -3.533
105 H ALA 19 H ALA 19 -1.643 -6.976 -2.988
106 HA ALA 19 HA ALA 19 0.819 -6.214 -1.564
107 HB1 ALA 19 3HB ALA 19 -0.204 -8.889 -2.165
108 HB2 ALA 19 1HB ALA 19 1.473 -8.629 -2.648
109 HB3 ALA 19 2HB ALA 19 0.986 -8.368 -0.972
110 H PHE 20 H PHE 20 2.666 -5.920 -2.839
111 HA PHE 20 HA PHE 20 2.227 -5.912 -5.748
112 HB2 PHE 20 1HB PHE 20 3.566 -3.740 -4.121
113 HB3 PHE 20 2HB PHE 20 3.517 -3.797 -5.880
114 HD1 PHE 20 HD2 PHE 20 1.390 -3.559 -2.859
115 HD2 PHE 20 HD1 PHE 20 1.685 -2.951 -7.061
116 HE1 PHE 20 HE2 PHE 20 -0.758 -2.360 -2.833
117 HE2 PHE 20 HE1 PHE 20 -0.462 -1.750 -7.042
118 HZ PHE 20 HZ PHE 20 -1.687 -1.454 -4.926
119 H SER 21 H SER 21 4.423 -5.541 -6.901
120 HA SER 21 HA SER 21 6.251 -7.546 -5.836
121 HB2 SER 21 1HB SER 21 5.368 -7.454 -8.270
122 HB3 SER 21 2HB SER 21 6.556 -6.171 -8.496
123 HG SER 21 HG SER 21 7.070 -8.829 -7.642
124 H SER 22 H SER 22 6.384 -4.220 -7.088
125 HA SER 22 HA SER 22 9.012 -3.907 -5.806
126 HB2 SER 22 1HB SER 22 8.887 -3.431 -8.247
127 HB3 SER 22 2HB SER 22 7.723 -2.150 -7.909
128 HG SER 22 HG SER 22 10.467 -2.269 -7.330
129 H LYS 23 H LYS 23 9.444 -1.699 -4.906
130 HA LYS 23 HA LYS 23 7.396 -1.046 -3.009
131 HB2 LYS 23 1HB LYS 23 10.124 0.118 -3.567
132 HB3 LYS 23 2HB LYS 23 9.064 0.732 -2.305
133 HG2 LYS 23 1HG LYS 23 9.043 -1.830 -1.610
134 HG3 LYS 23 2HG LYS 23 10.604 -1.794 -2.433
135 HD2 LYS 23 1HD LYS 23 9.783 0.107 -0.239
136 HD3 LYS 23 2HD LYS 23 10.748 -1.350 0.010
137 HE2 LYS 23 1HE LYS 23 12.361 -0.399 -1.700
138 HE3 LYS 23 2HE LYS 23 11.467 1.114 -1.561
139 HZ1 LYS 23 3HZ LYS 23 13.141 -0.238 0.447
140 HZ2 LYS 23 1HZ LYS 23 11.906 0.805 0.948
141 HZ3 LYS 23 2HZ LYS 23 13.153 1.382 -0.038
142 H SER 24 H SER 24 8.940 0.670 -5.712
143 HA SER 24 HA SER 24 7.760 3.118 -5.571
144 HB2 SER 24 1HB SER 24 9.354 2.085 -7.372
145 HB3 SER 24 2HB SER 24 7.855 1.741 -8.236
146 HG SER 24 HG SER 24 8.277 3.724 -8.921
147 H TYR 25 H TYR 25 6.325 0.177 -6.931
148 HA TYR 25 HA TYR 25 3.911 1.381 -7.778
149 HB2 TYR 25 1HB TYR 25 4.821 -1.427 -7.298
150 HB3 TYR 25 2HB TYR 25 3.104 -1.116 -7.526
151 HD1 TYR 25 HD1 TYR 25 2.887 0.812 -9.589
152 HD2 TYR 25 HD2 TYR 25 5.756 -2.308 -9.209
153 HE1 TYR 25 HE1 TYR 25 3.208 0.818 -12.027
154 HE2 TYR 25 HE2 TYR 25 6.085 -2.309 -11.646
155 HH TYR 25 HH TYR 25 3.994 -0.795 -13.784
156 H LEU 26 H LEU 26 4.642 -0.608 -4.911
157 HA LEU 26 HA LEU 26 2.174 -0.503 -3.678
158 HB2 LEU 26 1HB LEU 26 3.825 -1.941 -2.796
159 HB3 LEU 26 2HB LEU 26 4.954 -0.612 -2.545
160 HG LEU 26 HG LEU 26 3.502 0.243 -0.742
161 HD11 LEU 26 1HD1 LEU 26 1.704 -1.750 -1.814
162 HD12 LEU 26 2HD1 LEU 26 1.378 -0.406 -0.720
163 HD13 LEU 26 3HD1 LEU 26 1.940 -1.950 -0.078
164 HD21 LEU 26 3HD2 LEU 26 3.819 -2.420 0.293
165 HD22 LEU 26 1HD2 LEU 26 4.737 -0.959 0.658
166 HD23 LEU 26 2HD2 LEU 26 5.205 -1.977 -0.705
167 H LEU 27 H LEU 27 4.907 1.736 -3.228
168 HA LEU 27 HA LEU 27 3.776 3.451 -1.385
169 HB2 LEU 27 1HB LEU 27 5.587 4.175 -3.684
170 HB3 LEU 27 2HB LEU 27 5.293 5.167 -2.258
171 HG LEU 27 HG LEU 27 6.393 2.417 -1.899
172 HD11 LEU 27 1HD1 LEU 27 7.836 4.761 -3.061
173 HD12 LEU 27 2HD1 LEU 27 7.932 3.055 -3.497
174 HD13 LEU 27 3HD1 LEU 27 8.684 3.628 -2.008
175 HD21 LEU 27 3HD2 LEU 27 7.607 3.664 -0.069
176 HD22 LEU 27 1HD2 LEU 27 5.855 3.560 0.100
177 HD23 LEU 27 2HD2 LEU 27 6.598 5.055 -0.467
178 H VAL 28 H VAL 28 3.781 3.900 -4.926
179 HA VAL 28 HA VAL 28 2.147 6.134 -5.037
180 HB VAL 28 HB VAL 28 2.289 3.877 -7.041
181 HG11 VAL 28 1HG1 VAL 28 1.701 5.846 -8.611
182 HG12 VAL 28 2HG1 VAL 28 0.411 5.085 -7.677
183 HG13 VAL 28 3HG1 VAL 28 1.097 6.622 -7.147
184 HG21 VAL 28 3HG2 VAL 28 4.348 5.442 -6.219
185 HG22 VAL 28 1HG2 VAL 28 4.213 4.736 -7.830
186 HG23 VAL 28 2HG2 VAL 28 3.704 6.402 -7.552
187 H HIS 29 H HIS 29 1.252 2.714 -4.944
188 HA HIS 29 HA HIS 29 -1.481 2.957 -5.413
189 HB2 HIS 29 1HB HIS 29 -0.784 0.758 -5.414
190 HB3 HIS 29 2HB HIS 29 0.228 0.966 -3.987
191 HD1 HIS 29 HD1 HIS 29 -3.432 0.654 -4.919
192 HD2 HIS 29 HD2 HIS 29 -0.918 0.148 -1.651
193 HE1 HIS 29 HE1 HIS 29 -4.860 -0.383 -3.127
194 H GLN 30 H GLN 30 0.302 3.106 -2.346
195 HA GLN 30 HA GLN 30 -1.762 3.271 -0.551
196 HB2 GLN 30 1HB GLN 30 0.990 4.400 -0.634
197 HB3 GLN 30 2HB GLN 30 -0.100 5.008 0.605
198 HG2 GLN 30 1HG GLN 30 -0.154 3.033 1.729
199 HG3 GLN 30 2HG GLN 30 0.113 2.070 0.277
200 HE21 GLN 30 1HE2 GLN 30 2.060 1.244 -0.007
201 HE22 GLN 30 2HE2 GLN 30 3.501 1.742 0.806
202 H GLN 31 H GLN 31 -0.386 5.903 -2.487
203 HA GLN 31 HA GLN 31 -1.550 8.126 -1.534
204 HB2 GLN 31 1HB GLN 31 -1.500 7.320 -4.447
205 HB3 GLN 31 2HB GLN 31 -1.739 8.959 -3.856
206 HG2 GLN 31 1HG GLN 31 0.486 8.905 -2.834
207 HG3 GLN 31 2HG GLN 31 0.725 7.276 -3.463
208 HE21 GLN 31 1HE2 GLN 31 2.170 9.806 -3.956
209 HE22 GLN 31 2HE2 GLN 31 2.157 10.013 -5.671
210 H THR 32 H THR 32 -3.207 5.664 -3.464
211 HA THR 32 HA THR 32 -5.626 6.794 -3.959
212 HB THR 32 HB THR 32 -6.646 4.579 -3.815
213 HG1 THR 32 HG1 THR 32 -5.880 3.499 -2.127
214 HG21 THR 32 3HG2 THR 32 -5.028 3.335 -5.260
215 HG22 THR 32 1HG2 THR 32 -3.844 4.599 -4.935
216 HG23 THR 32 2HG2 THR 32 -5.338 4.989 -5.785
217 H HIS 33 H HIS 33 -4.632 5.295 -0.896
218 HA HIS 33 HA HIS 33 -7.074 5.662 0.455
219 HB2 HIS 33 1HB HIS 33 -4.263 5.465 1.557
220 HB3 HIS 33 2HB HIS 33 -5.732 5.350 2.523
221 HD1 HIS 33 HD1 HIS 33 -7.430 3.411 1.038
222 HD2 HIS 33 HD2 HIS 33 -3.313 2.949 1.353
223 HE1 HIS 33 HE1 HIS 33 -6.997 0.964 0.654
224 H ALA 34 H ALA 34 -4.343 7.774 -0.093
225 HA ALA 34 HA ALA 34 -5.240 9.764 1.798
226 HB1 ALA 34 3HB ALA 34 -2.806 9.196 0.866
227 HB2 ALA 34 1HB ALA 34 -3.247 10.468 -0.274
228 HB3 ALA 34 2HB ALA 34 -3.249 10.796 1.460
229 H GLU 35 H GLU 35 -6.881 8.877 -0.615
230 HA GLU 35 HA GLU 35 -7.149 11.444 -2.003
231 HB2 GLU 35 1HB GLU 35 -8.259 8.702 -2.610
232 HB3 GLU 35 2HB GLU 35 -8.678 10.144 -3.522
233 HG2 GLU 35 1HG GLU 35 -6.249 10.434 -4.024
234 HG3 GLU 35 2HG GLU 35 -5.971 8.861 -3.279
235 H GLU 36 H GLU 36 -8.748 9.354 0.254
236 HA GLU 36 HA GLU 36 -11.261 10.811 0.061
237 HB2 GLU 36 1HB GLU 36 -12.033 9.213 1.802
238 HB3 GLU 36 2HB GLU 36 -11.436 8.424 0.349
239 HG2 GLU 36 1HG GLU 36 -9.395 7.826 1.419
240 HG3 GLU 36 2HG GLU 36 -9.780 8.814 2.827
241 H LYS 37 H LYS 37 -8.866 12.207 0.934
242 HA LYS 37 HA LYS 37 -7.997 13.388 2.729
243 HB2 LYS 37 1HB LYS 37 -10.941 14.077 2.771
244 HB3 LYS 37 2HB LYS 37 -9.680 15.021 3.555
245 HG2 LYS 37 1HG LYS 37 -9.914 16.181 1.607
246 HG3 LYS 37 2HG LYS 37 -8.644 15.046 1.143
247 HD2 LYS 37 1HD LYS 37 -10.534 13.538 0.319
248 HD3 LYS 37 2HD LYS 37 -11.574 14.956 0.474
249 HE2 LYS 37 1HE LYS 37 -9.036 14.874 -1.153
250 HE3 LYS 37 2HE LYS 37 -10.649 14.608 -1.815
251 HZ1 LYS 37 3HZ LYS 37 -9.599 17.089 -0.575
252 HZ2 LYS 37 1HZ LYS 37 -11.235 16.851 -0.935
253 HZ3 LYS 37 2HZ LYS 37 -10.089 16.866 -2.179
254 HA PRO 38 HA PRO 38 -9.677 10.397 5.977
255 HB2 PRO 38 1HB PRO 38 -7.407 8.936 6.270
256 HB3 PRO 38 2HB PRO 38 -8.668 8.528 5.100
257 HG2 PRO 38 1HG PRO 38 -6.079 9.968 4.670
258 HG3 PRO 38 2HG PRO 38 -6.837 8.710 3.677
259 HD2 PRO 38 1HD PRO 38 -6.971 11.340 3.048
260 HD3 PRO 38 2HD PRO 38 -8.276 10.200 2.665
261 H SER 39 H SER 39 -7.527 12.861 5.629
262 HA SER 39 HA SER 39 -5.708 12.981 7.569
263 HB2 SER 39 1HB SER 39 -7.793 15.115 7.057
264 HB3 SER 39 2HB SER 39 -6.278 15.375 7.921
265 HG SER 39 HG SER 39 -6.369 15.863 5.560
266 H GLY 40 H GLY 40 -5.541 13.134 9.769
267 HA2 GLY 40 1HA GLY 40 -7.602 11.993 11.334
268 HA3 GLY 40 2HA GLY 40 -6.137 12.742 11.952
269 HA PRO 41 HA PRO 41 -9.789 15.319 13.227
270 HB2 PRO 41 1HB PRO 41 -9.057 15.503 15.835
271 HB3 PRO 41 2HB PRO 41 -10.029 14.169 15.202
272 HG2 PRO 41 1HG PRO 41 -7.091 14.269 15.769
273 HG3 PRO 41 2HG PRO 41 -8.255 12.978 16.120
274 HD2 PRO 41 1HD PRO 41 -6.578 12.891 13.996
275 HD3 PRO 41 2HD PRO 41 -8.201 12.171 13.961
276 H SER 42 H SER 42 -9.519 17.346 14.837
277 HA SER 42 HA SER 42 -8.689 19.452 15.062
278 HB2 SER 42 1HB SER 42 -6.069 17.972 14.744
279 HB3 SER 42 2HB SER 42 -6.193 19.671 15.201
280 HG SER 42 HG SER 42 -6.948 19.119 17.128
281 H SER 43 H SER 43 -9.636 18.800 12.543
282 HA SER 43 HA SER 43 -7.736 20.108 10.716
283 HB2 SER 43 1HB SER 43 -9.198 19.152 8.902
284 HB3 SER 43 2HB SER 43 -8.379 17.943 9.891
285 HG SER 43 HG SER 43 -11.021 18.825 10.402
286 H GLY 44 H GLY 44 -11.001 20.208 12.000
287 HA2 GLY 44 1HA GLY 44 -11.448 22.851 12.035
288 HA3 GLY 44 2HA GLY 44 -11.737 22.476 10.343
Start of MODEL 13
1 H1 GLY 1 H GLY 1 5.894 -16.396 -19.833
2 HA2 GLY 1 1HA GLY 1 5.084 -14.373 -20.555
3 HA3 GLY 1 2HA GLY 1 5.100 -13.918 -18.858
4 H SER 2 H SER 2 6.421 -12.329 -18.250
5 HA SER 2 HA SER 2 8.675 -11.640 -20.015
6 HB2 SER 2 1HB SER 2 8.210 -9.253 -19.621
7 HB3 SER 2 2HB SER 2 6.843 -10.050 -20.400
8 HG SER 2 HG SER 2 6.853 -9.981 -17.619
9 H SER 3 H SER 3 10.210 -12.565 -18.691
10 HA SER 3 HA SER 3 11.583 -12.847 -16.887
11 HB2 SER 3 1HB SER 3 11.037 -9.875 -16.758
12 HB3 SER 3 2HB SER 3 12.273 -10.682 -15.793
13 HG SER 3 HG SER 3 13.507 -10.797 -17.493
14 H GLY 4 H GLY 4 8.969 -13.591 -16.317
15 HA2 GLY 4 1HA GLY 4 8.717 -12.742 -13.496
16 HA3 GLY 4 2HA GLY 4 7.323 -13.071 -14.514
17 H SER 5 H SER 5 10.343 -14.693 -13.528
18 HA SER 5 HA SER 5 9.246 -17.300 -13.825
19 HB2 SER 5 1HB SER 5 11.314 -18.077 -12.771
20 HB3 SER 5 2HB SER 5 11.670 -16.846 -13.983
21 HG SER 5 HG SER 5 11.979 -16.777 -11.238
22 H SER 6 H SER 6 9.841 -15.200 -11.034
23 HA SER 6 HA SER 6 8.035 -16.918 -9.466
24 HB2 SER 6 1HB SER 6 10.676 -15.715 -8.675
25 HB3 SER 6 2HB SER 6 9.459 -16.098 -7.458
26 HG SER 6 HG SER 6 9.570 -18.235 -8.028
27 H GLY 7 H GLY 7 6.280 -15.555 -9.921
28 HA2 GLY 7 1HA GLY 7 6.386 -12.736 -9.424
29 HA3 GLY 7 2HA GLY 7 4.941 -13.684 -9.743
30 H GLU 8 H GLU 8 7.328 -13.002 -7.201
31 HA GLU 8 HA GLU 8 5.365 -13.728 -5.165
32 HB2 GLU 8 1HB GLU 8 8.248 -12.878 -4.843
33 HB3 GLU 8 2HB GLU 8 7.207 -13.514 -3.577
34 HG2 GLU 8 1HG GLU 8 7.005 -15.607 -4.987
35 HG3 GLU 8 2HG GLU 8 8.324 -14.956 -5.959
36 H LYS 9 H LYS 9 4.728 -12.308 -3.505
37 HA LYS 9 HA LYS 9 5.163 -9.451 -4.082
38 HB2 LYS 9 1HB LYS 9 2.611 -10.791 -3.168
39 HB3 LYS 9 2HB LYS 9 2.843 -9.051 -3.278
40 HG2 LYS 9 1HG LYS 9 3.244 -10.818 -5.662
41 HG3 LYS 9 2HG LYS 9 1.639 -10.247 -5.197
42 HD2 LYS 9 1HD LYS 9 2.899 -7.916 -5.119
43 HD3 LYS 9 2HD LYS 9 3.967 -8.734 -6.262
44 HE2 LYS 9 1HE LYS 9 0.975 -8.635 -6.584
45 HE3 LYS 9 2HE LYS 9 2.055 -7.421 -7.268
46 HZ1 LYS 9 3HZ LYS 9 1.374 -9.345 -8.753
47 HZ2 LYS 9 1HZ LYS 9 2.414 -10.303 -7.823
48 HZ3 LYS 9 2HZ LYS 9 3.025 -8.981 -8.684
49 HA PRO 10 HA PRO 10 6.446 -10.459 0.279
50 HB2 PRO 10 1HB PRO 10 8.817 -9.145 0.142
51 HB3 PRO 10 2HB PRO 10 8.624 -10.832 -0.348
52 HG2 PRO 10 1HG PRO 10 8.698 -8.364 -2.041
53 HG3 PRO 10 2HG PRO 10 9.477 -9.933 -2.316
54 HD2 PRO 10 1HD PRO 10 7.181 -9.211 -3.555
55 HD3 PRO 10 2HD PRO 10 7.544 -10.894 -3.124
56 H PHE 11 H PHE 11 5.544 -7.812 -1.529
57 HA PHE 11 HA PHE 11 5.802 -5.985 0.767
58 HB2 PHE 11 1HB PHE 11 5.755 -5.493 -2.196
59 HB3 PHE 11 2HB PHE 11 5.306 -4.215 -1.071
60 HD1 PHE 11 HD1 PHE 11 7.969 -6.817 -0.921
61 HD2 PHE 11 HD2 PHE 11 7.012 -2.671 -1.041
62 HE1 PHE 11 HE1 PHE 11 10.347 -6.262 -0.612
63 HE2 PHE 11 HE2 PHE 11 9.388 -2.110 -0.733
64 HZ PHE 11 HZ PHE 11 11.059 -3.906 -0.519
65 H GLY 12 H GLY 12 3.975 -5.994 1.911
66 HA2 GLY 12 1HA GLY 12 1.419 -5.969 0.426
67 HA3 GLY 12 2HA GLY 12 1.620 -6.722 2.001
68 H CYS 13 H CYS 13 0.032 -4.343 0.751
69 HA CYS 13 HA CYS 13 0.835 -1.998 2.075
70 HB2 CYS 13 1HB CYS 13 -0.813 -2.129 0.189
71 HB3 CYS 13 2HB CYS 13 -1.990 -2.772 1.330
72 H SER 14 H SER 14 -0.426 -0.904 3.815
73 HA SER 14 HA SER 14 -0.904 -2.808 5.993
74 HB2 SER 14 1HB SER 14 -0.107 0.089 5.910
75 HB3 SER 14 2HB SER 14 -0.792 -0.609 7.378
76 HG SER 14 HG SER 14 1.265 -2.019 6.146
77 H CYS 15 H CYS 15 -2.400 -0.196 4.195
78 HA CYS 15 HA CYS 15 -4.718 -0.016 5.862
79 HB2 CYS 15 1HB CYS 15 -3.747 1.755 4.235
80 HB3 CYS 15 2HB CYS 15 -4.625 0.873 2.991
81 HG CYS 15 HG CYS 15 -6.226 2.027 5.772
82 H CYS 16 H CYS 16 -3.984 -1.570 2.762
83 HA CYS 16 HA CYS 16 -6.516 -3.061 3.000
84 HB2 CYS 16 1HB CYS 16 -6.461 -3.318 0.558
85 HB3 CYS 16 2HB CYS 16 -6.466 -1.619 1.021
86 H GLU 17 H GLU 17 -6.194 -5.120 1.364
87 HA GLU 17 HA GLU 17 -3.927 -6.578 2.538
88 HB2 GLU 17 1HB GLU 17 -5.181 -8.589 2.259
89 HB3 GLU 17 2HB GLU 17 -6.258 -7.402 2.981
90 HG2 GLU 17 1HG GLU 17 -7.023 -6.935 0.575
91 HG3 GLU 17 2HG GLU 17 -6.240 -8.465 0.185
92 H LYS 18 H LYS 18 -3.821 -4.833 0.154
93 HA LYS 18 HA LYS 18 -3.456 -6.675 -2.061
94 HB2 LYS 18 1HB LYS 18 -3.188 -3.684 -1.791
95 HB3 LYS 18 2HB LYS 18 -2.736 -4.543 -3.258
96 HG2 LYS 18 1HG LYS 18 -4.974 -5.273 -3.612
97 HG3 LYS 18 2HG LYS 18 -5.476 -4.686 -2.025
98 HD2 LYS 18 1HD LYS 18 -5.378 -2.458 -2.680
99 HD3 LYS 18 2HD LYS 18 -4.307 -2.804 -4.040
100 HE2 LYS 18 1HE LYS 18 -7.154 -3.773 -3.887
101 HE3 LYS 18 2HE LYS 18 -6.694 -2.244 -4.633
102 HZ1 LYS 18 3HZ LYS 18 -5.453 -4.794 -5.463
103 HZ2 LYS 18 1HZ LYS 18 -5.522 -3.329 -6.307
104 HZ3 LYS 18 2HZ LYS 18 -6.917 -4.270 -6.131
105 H ALA 19 H ALA 19 -1.462 -6.895 -3.204
106 HA ALA 19 HA ALA 19 0.940 -6.180 -1.665
107 HB1 ALA 19 3HB ALA 19 1.791 -8.306 -1.649
108 HB2 ALA 19 1HB ALA 19 0.068 -8.654 -1.497
109 HB3 ALA 19 2HB ALA 19 0.864 -8.808 -3.063
110 H PHE 20 H PHE 20 2.826 -5.857 -2.877
111 HA PHE 20 HA PHE 20 2.480 -5.805 -5.798
112 HB2 PHE 20 1HB PHE 20 3.744 -3.642 -4.101
113 HB3 PHE 20 2HB PHE 20 3.739 -3.672 -5.861
114 HD1 PHE 20 HD2 PHE 20 1.686 -3.229 -2.855
115 HD2 PHE 20 HD1 PHE 20 1.776 -3.108 -7.109
116 HE1 PHE 20 HE2 PHE 20 -0.476 -2.056 -2.864
117 HE2 PHE 20 HE1 PHE 20 -0.386 -1.934 -7.125
118 HZ PHE 20 HZ PHE 20 -1.516 -1.407 -5.001
119 H SER 21 H SER 21 4.457 -5.907 -7.021
120 HA SER 21 HA SER 21 6.328 -7.748 -5.894
121 HB2 SER 21 1HB SER 21 7.479 -7.510 -8.117
122 HB3 SER 21 2HB SER 21 5.778 -7.963 -8.228
123 HG SER 21 HG SER 21 7.034 -5.773 -9.195
124 H SER 22 H SER 22 6.364 -4.315 -6.669
125 HA SER 22 HA SER 22 8.972 -4.108 -5.311
126 HB2 SER 22 1HB SER 22 7.996 -2.325 -7.554
127 HB3 SER 22 2HB SER 22 9.582 -2.283 -6.783
128 HG SER 22 HG SER 22 10.110 -3.616 -8.319
129 H LYS 23 H LYS 23 9.337 -1.688 -4.659
130 HA LYS 23 HA LYS 23 7.176 -1.022 -2.870
131 HB2 LYS 23 1HB LYS 23 9.671 -0.906 -2.332
132 HB3 LYS 23 2HB LYS 23 9.703 0.565 -3.296
133 HG2 LYS 23 1HG LYS 23 7.784 1.337 -1.741
134 HG3 LYS 23 2HG LYS 23 8.360 0.052 -0.677
135 HD2 LYS 23 1HD LYS 23 10.595 1.047 -0.685
136 HD3 LYS 23 2HD LYS 23 10.026 2.326 -1.760
137 HE2 LYS 23 1HE LYS 23 9.927 3.327 0.329
138 HE3 LYS 23 2HE LYS 23 8.272 2.772 0.084
139 HZ1 LYS 23 3HZ LYS 23 8.811 0.797 1.410
140 HZ2 LYS 23 1HZ LYS 23 9.003 2.227 2.295
141 HZ3 LYS 23 2HZ LYS 23 10.360 1.411 1.699
142 H SER 24 H SER 24 9.015 0.879 -5.269
143 HA SER 24 HA SER 24 7.688 3.184 -5.401
144 HB2 SER 24 1HB SER 24 8.707 1.448 -7.627
145 HB3 SER 24 2HB SER 24 7.901 2.972 -7.999
146 HG SER 24 HG SER 24 9.610 4.009 -7.356
147 H TYR 25 H TYR 25 6.497 0.171 -6.840
148 HA TYR 25 HA TYR 25 4.119 1.293 -7.902
149 HB2 TYR 25 1HB TYR 25 5.064 -1.501 -7.352
150 HB3 TYR 25 2HB TYR 25 3.393 -1.214 -7.824
151 HD1 TYR 25 HD1 TYR 25 3.332 0.623 -9.904
152 HD2 TYR 25 HD2 TYR 25 6.395 -2.215 -9.084
153 HE1 TYR 25 HE1 TYR 25 4.004 0.674 -12.269
154 HE2 TYR 25 HE2 TYR 25 7.077 -2.170 -11.447
155 HH TYR 25 HH TYR 25 6.324 -1.573 -13.569
156 H LEU 26 H LEU 26 4.830 -0.474 -4.910
157 HA LEU 26 HA LEU 26 2.210 -0.587 -3.920
158 HB2 LEU 26 1HB LEU 26 3.830 -1.968 -2.912
159 HB3 LEU 26 2HB LEU 26 4.898 -0.606 -2.582
160 HG LEU 26 HG LEU 26 3.319 0.199 -0.878
161 HD11 LEU 26 1HD1 LEU 26 1.828 -2.331 -0.800
162 HD12 LEU 26 2HD1 LEU 26 1.443 -1.270 -2.155
163 HD13 LEU 26 3HD1 LEU 26 1.286 -0.679 -0.501
164 HD21 LEU 26 3HD2 LEU 26 5.174 -1.275 -0.253
165 HD22 LEU 26 1HD2 LEU 26 4.138 -2.680 -0.506
166 HD23 LEU 26 2HD2 LEU 26 3.764 -1.529 0.777
167 H LEU 27 H LEU 27 4.781 1.804 -3.378
168 HA LEU 27 HA LEU 27 3.430 3.444 -1.577
169 HB2 LEU 27 1HB LEU 27 5.510 4.080 -3.656
170 HB3 LEU 27 2HB LEU 27 4.927 5.261 -2.485
171 HG LEU 27 HG LEU 27 6.116 2.664 -1.577
172 HD11 LEU 27 1HD1 LEU 27 7.511 5.017 -2.730
173 HD12 LEU 27 2HD1 LEU 27 7.948 3.309 -2.766
174 HD13 LEU 27 3HD1 LEU 27 8.210 4.255 -1.301
175 HD21 LEU 27 3HD2 LEU 27 5.379 3.619 0.321
176 HD22 LEU 27 1HD2 LEU 27 5.305 5.230 -0.394
177 HD23 LEU 27 2HD2 LEU 27 6.845 4.590 0.178
178 H VAL 28 H VAL 28 3.747 3.902 -5.103
179 HA VAL 28 HA VAL 28 2.103 6.085 -5.413
180 HB VAL 28 HB VAL 28 2.373 3.741 -7.300
181 HG11 VAL 28 1HG1 VAL 28 1.036 6.385 -7.537
182 HG12 VAL 28 2HG1 VAL 28 1.887 5.749 -8.946
183 HG13 VAL 28 3HG1 VAL 28 0.579 4.821 -8.211
184 HG21 VAL 28 3HG2 VAL 28 3.794 6.038 -8.158
185 HG22 VAL 28 1HG2 VAL 28 4.225 5.736 -6.474
186 HG23 VAL 28 2HG2 VAL 28 4.438 4.467 -7.681
187 H HIS 29 H HIS 29 1.223 2.782 -4.779
188 HA HIS 29 HA HIS 29 -1.531 3.053 -5.516
189 HB2 HIS 29 1HB HIS 29 -0.951 0.835 -5.577
190 HB3 HIS 29 2HB HIS 29 0.147 0.973 -4.208
191 HD1 HIS 29 HD1 HIS 29 -3.543 0.687 -4.972
192 HD2 HIS 29 HD2 HIS 29 -0.910 0.228 -1.790
193 HE1 HIS 29 HE1 HIS 29 -4.901 -0.333 -3.117
194 H GLN 30 H GLN 30 0.077 2.687 -2.350
195 HA GLN 30 HA GLN 30 -1.989 2.999 -0.639
196 HB2 GLN 30 1HB GLN 30 0.612 4.491 -0.288
197 HB3 GLN 30 2HB GLN 30 -0.461 3.906 0.977
198 HG2 GLN 30 1HG GLN 30 0.049 1.582 -0.189
199 HG3 GLN 30 2HG GLN 30 1.512 2.438 -0.673
200 HE21 GLN 30 1HE2 GLN 30 1.085 0.181 1.181
201 HE22 GLN 30 2HE2 GLN 30 1.790 0.677 2.679
202 H GLN 31 H GLN 31 -0.481 5.545 -2.538
203 HA GLN 31 HA GLN 31 -1.395 7.840 -1.426
204 HB2 GLN 31 1HB GLN 31 -1.420 7.135 -4.365
205 HB3 GLN 31 2HB GLN 31 -1.571 8.768 -3.729
206 HG2 GLN 31 1HG GLN 31 0.670 8.303 -2.567
207 HG3 GLN 31 2HG GLN 31 0.803 6.948 -3.687
208 HE21 GLN 31 1HE2 GLN 31 2.744 8.634 -3.943
209 HE22 GLN 31 2HE2 GLN 31 2.553 9.687 -5.300
210 H THR 32 H THR 32 -3.281 5.658 -3.489
211 HA THR 32 HA THR 32 -5.596 7.000 -3.875
212 HB THR 32 HB THR 32 -5.169 4.646 -4.588
213 HG1 THR 32 HG1 THR 32 -7.636 4.577 -3.269
214 HG21 THR 32 3HG2 THR 32 -6.149 3.898 -1.836
215 HG22 THR 32 1HG2 THR 32 -4.451 3.864 -2.309
216 HG23 THR 32 2HG2 THR 32 -5.613 2.814 -3.119
217 H HIS 33 H HIS 33 -4.654 5.353 -0.881
218 HA HIS 33 HA HIS 33 -7.050 5.814 0.526
219 HB2 HIS 33 1HB HIS 33 -4.253 5.492 1.635
220 HB3 HIS 33 2HB HIS 33 -5.752 5.304 2.541
221 HD1 HIS 33 HD1 HIS 33 -7.387 3.468 0.866
222 HD2 HIS 33 HD2 HIS 33 -3.280 3.001 1.288
223 HE1 HIS 33 HE1 HIS 33 -6.926 1.055 0.326
224 H ALA 34 H ALA 34 -4.152 7.749 0.082
225 HA ALA 34 HA ALA 34 -4.762 9.707 2.047
226 HB1 ALA 34 3HB ALA 34 -2.547 9.149 0.667
227 HB2 ALA 34 1HB ALA 34 -3.150 10.489 -0.309
228 HB3 ALA 34 2HB ALA 34 -2.836 10.721 1.412
229 H GLU 35 H GLU 35 -5.437 9.422 -1.407
230 HA GLU 35 HA GLU 35 -6.652 12.033 -1.552
231 HB2 GLU 35 1HB GLU 35 -6.274 9.764 -3.476
232 HB3 GLU 35 2HB GLU 35 -7.393 11.064 -3.859
233 HG2 GLU 35 1HG GLU 35 -4.561 11.631 -3.074
234 HG3 GLU 35 2HG GLU 35 -4.994 11.223 -4.733
235 H GLU 36 H GLU 36 -7.922 8.755 -2.177
236 HA GLU 36 HA GLU 36 -10.632 9.654 -1.819
237 HB2 GLU 36 1HB GLU 36 -9.466 6.897 -2.233
238 HB3 GLU 36 2HB GLU 36 -11.189 7.239 -2.153
239 HG2 GLU 36 1HG GLU 36 -9.234 8.205 -4.222
240 HG3 GLU 36 2HG GLU 36 -10.553 7.057 -4.444
241 H LYS 37 H LYS 37 -9.331 10.260 0.472
242 HA LYS 37 HA LYS 37 -9.447 8.246 2.467
243 HB2 LYS 37 1HB LYS 37 -8.061 10.285 2.662
244 HB3 LYS 37 2HB LYS 37 -9.524 11.253 2.789
245 HG2 LYS 37 1HG LYS 37 -10.090 9.821 4.822
246 HG3 LYS 37 2HG LYS 37 -8.412 9.279 4.753
247 HD2 LYS 37 1HD LYS 37 -8.338 11.071 6.238
248 HD3 LYS 37 2HD LYS 37 -7.831 11.791 4.708
249 HE2 LYS 37 1HE LYS 37 -10.204 12.503 4.358
250 HE3 LYS 37 2HE LYS 37 -10.553 11.946 5.994
251 HZ1 LYS 37 3HZ LYS 37 -10.131 14.301 5.998
252 HZ2 LYS 37 1HZ LYS 37 -8.635 14.084 5.238
253 HZ3 LYS 37 2HZ LYS 37 -8.874 13.514 6.813
254 HA PRO 38 HA PRO 38 -13.776 8.123 3.285
255 HB2 PRO 38 1HB PRO 38 -13.684 7.064 5.784
256 HB3 PRO 38 2HB PRO 38 -13.364 6.117 4.326
257 HG2 PRO 38 1HG PRO 38 -11.428 7.359 6.242
258 HG3 PRO 38 2HG PRO 38 -11.383 5.754 5.490
259 HD2 PRO 38 1HD PRO 38 -9.899 7.829 4.582
260 HD3 PRO 38 2HD PRO 38 -10.535 6.568 3.507
261 H SER 39 H SER 39 -14.808 10.001 3.601
262 HA SER 39 HA SER 39 -14.026 11.800 5.735
263 HB2 SER 39 1HB SER 39 -15.638 13.346 4.767
264 HB3 SER 39 2HB SER 39 -14.637 12.663 3.486
265 HG SER 39 HG SER 39 -16.999 11.326 4.098
266 H GLY 40 H GLY 40 -14.644 11.111 7.708
267 HA2 GLY 40 1HA GLY 40 -17.023 9.664 8.235
268 HA3 GLY 40 2HA GLY 40 -16.000 10.438 9.436
269 HA PRO 41 HA PRO 41 -20.100 12.780 8.522
270 HB2 PRO 41 1HB PRO 41 -21.744 11.658 10.368
271 HB3 PRO 41 2HB PRO 41 -21.622 11.069 8.705
272 HG2 PRO 41 1HG PRO 41 -20.330 10.011 11.190
273 HG3 PRO 41 2HG PRO 41 -21.103 9.121 9.865
274 HD2 PRO 41 1HD PRO 41 -18.416 9.380 10.072
275 HD3 PRO 41 2HD PRO 41 -19.248 9.281 8.507
276 H SER 42 H SER 42 -18.677 14.378 9.478
277 HA SER 42 HA SER 42 -19.497 15.048 12.185
278 HB2 SER 42 1HB SER 42 -16.596 14.664 11.413
279 HB3 SER 42 2HB SER 42 -17.126 15.488 12.880
280 HG SER 42 HG SER 42 -18.284 13.030 12.514
281 H SER 43 H SER 43 -18.443 17.244 12.803
282 HA SER 43 HA SER 43 -19.033 19.058 10.629
283 HB2 SER 43 1HB SER 43 -18.285 19.586 13.515
284 HB3 SER 43 2HB SER 43 -18.781 20.822 12.359
285 HG SER 43 HG SER 43 -20.346 19.433 13.891
286 H GLY 44 H GLY 44 -17.315 18.823 9.193
287 HA2 GLY 44 1HA GLY 44 -14.762 19.945 10.167
288 HA3 GLY 44 2HA GLY 44 -14.802 18.566 9.078
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -0.649 -12.929 -18.521
2 HA2 GLY 1 1HA GLY 1 -1.735 -14.737 -19.976
3 HA3 GLY 1 2HA GLY 1 -0.508 -15.296 -18.849
4 H SER 2 H SER 2 -1.254 -17.279 -18.327
5 HA SER 2 HA SER 2 -3.933 -18.014 -18.017
6 HB2 SER 2 1HB SER 2 -1.895 -19.537 -18.261
7 HB3 SER 2 2HB SER 2 -1.649 -19.311 -16.530
8 HG SER 2 HG SER 2 -3.643 -20.247 -16.149
9 H SER 3 H SER 3 -5.060 -18.637 -16.047
10 HA SER 3 HA SER 3 -5.625 -16.711 -14.295
11 HB2 SER 3 1HB SER 3 -6.442 -19.226 -14.445
12 HB3 SER 3 2HB SER 3 -5.344 -19.428 -13.081
13 HG SER 3 HG SER 3 -6.791 -18.523 -11.874
14 H GLY 4 H GLY 4 -4.703 -15.614 -12.675
15 HA2 GLY 4 1HA GLY 4 -3.180 -14.972 -11.079
16 HA3 GLY 4 2HA GLY 4 -2.782 -16.674 -10.893
17 H SER 5 H SER 5 -1.029 -14.323 -10.876
18 HA SER 5 HA SER 5 0.640 -14.934 -13.225
19 HB2 SER 5 1HB SER 5 0.139 -12.422 -11.699
20 HB3 SER 5 2HB SER 5 1.747 -12.661 -12.382
21 HG SER 5 HG SER 5 0.901 -12.694 -14.395
22 H SER 6 H SER 6 2.962 -14.952 -12.898
23 HA SER 6 HA SER 6 3.652 -16.334 -10.450
24 HB2 SER 6 1HB SER 6 4.429 -16.834 -12.924
25 HB3 SER 6 2HB SER 6 5.681 -15.652 -12.542
26 HG SER 6 HG SER 6 6.599 -17.044 -11.249
27 H GLY 7 H GLY 7 4.876 -15.576 -8.809
28 HA2 GLY 7 1HA GLY 7 6.821 -13.706 -8.716
29 HA3 GLY 7 2HA GLY 7 5.363 -12.725 -8.717
30 H GLU 8 H GLU 8 7.060 -12.540 -6.606
31 HA GLU 8 HA GLU 8 5.923 -14.211 -4.484
32 HB2 GLU 8 1HB GLU 8 8.275 -12.313 -4.406
33 HB3 GLU 8 2HB GLU 8 7.755 -13.355 -3.089
34 HG2 GLU 8 1HG GLU 8 9.002 -14.123 -5.701
35 HG3 GLU 8 2HG GLU 8 9.567 -14.458 -4.065
36 H LYS 9 H LYS 9 6.454 -10.815 -5.344
37 HA LYS 9 HA LYS 9 5.575 -8.875 -4.521
38 HB2 LYS 9 1HB LYS 9 3.151 -10.666 -4.269
39 HB3 LYS 9 2HB LYS 9 3.117 -8.908 -4.225
40 HG2 LYS 9 1HG LYS 9 3.628 -8.714 -6.480
41 HG3 LYS 9 2HG LYS 9 4.281 -10.351 -6.573
42 HD2 LYS 9 1HD LYS 9 2.176 -10.393 -7.671
43 HD3 LYS 9 2HD LYS 9 1.947 -11.185 -6.110
44 HE2 LYS 9 1HE LYS 9 0.104 -9.793 -6.232
45 HE3 LYS 9 2HE LYS 9 1.244 -8.823 -5.301
46 HZ1 LYS 9 3HZ LYS 9 1.449 -7.326 -6.946
47 HZ2 LYS 9 1HZ LYS 9 -0.055 -7.924 -7.441
48 HZ3 LYS 9 2HZ LYS 9 1.361 -8.481 -8.179
49 HA PRO 10 HA PRO 10 5.924 -10.461 -0.083
50 HB2 PRO 10 1HB PRO 10 8.390 -9.446 0.426
51 HB3 PRO 10 2HB PRO 10 8.135 -11.065 -0.237
52 HG2 PRO 10 1HG PRO 10 8.865 -8.532 -1.655
53 HG3 PRO 10 2HG PRO 10 9.513 -10.167 -1.881
54 HD2 PRO 10 1HD PRO 10 7.658 -9.093 -3.536
55 HD3 PRO 10 2HD PRO 10 7.727 -10.831 -3.178
56 H PHE 11 H PHE 11 5.696 -7.640 -1.807
57 HA PHE 11 HA PHE 11 5.903 -5.883 0.522
58 HB2 PHE 11 1HB PHE 11 5.452 -5.243 -2.400
59 HB3 PHE 11 2HB PHE 11 5.604 -4.047 -1.118
60 HD1 PHE 11 HD1 PHE 11 7.414 -6.785 -2.840
61 HD2 PHE 11 HD2 PHE 11 7.701 -3.276 -0.449
62 HE1 PHE 11 HE1 PHE 11 9.856 -6.784 -3.141
63 HE2 PHE 11 HE2 PHE 11 10.144 -3.269 -0.746
64 HZ PHE 11 HZ PHE 11 11.224 -5.024 -2.094
65 H GLY 12 H GLY 12 4.115 -6.081 1.757
66 HA2 GLY 12 1HA GLY 12 1.496 -5.933 0.405
67 HA3 GLY 12 2HA GLY 12 1.768 -6.662 1.980
68 H CYS 13 H CYS 13 0.180 -4.257 0.739
69 HA CYS 13 HA CYS 13 1.054 -1.898 1.943
70 HB2 CYS 13 1HB CYS 13 -0.723 -1.985 0.240
71 HB3 CYS 13 2HB CYS 13 -1.792 -2.768 1.399
72 H SER 14 H SER 14 0.154 -0.769 3.800
73 HA SER 14 HA SER 14 -0.178 -2.595 6.057
74 HB2 SER 14 1HB SER 14 0.315 -0.636 7.457
75 HB3 SER 14 2HB SER 14 1.561 -0.864 6.230
76 HG SER 14 HG SER 14 -0.258 0.688 5.152
77 H CYS 15 H CYS 15 -1.855 -0.060 4.321
78 HA CYS 15 HA CYS 15 -3.978 0.217 6.218
79 HB2 CYS 15 1HB CYS 15 -3.540 1.154 3.397
80 HB3 CYS 15 2HB CYS 15 -5.109 1.344 4.170
81 HG CYS 15 HG CYS 15 -4.285 3.758 4.738
82 H CYS 16 H CYS 16 -3.583 -1.493 3.139
83 HA CYS 16 HA CYS 16 -6.058 -2.977 3.741
84 HB2 CYS 16 1HB CYS 16 -6.281 -3.333 1.300
85 HB3 CYS 16 2HB CYS 16 -6.334 -1.629 1.738
86 H GLU 17 H GLU 17 -5.971 -5.112 2.241
87 HA GLU 17 HA GLU 17 -3.569 -6.520 3.154
88 HB2 GLU 17 1HB GLU 17 -6.379 -7.324 2.577
89 HB3 GLU 17 2HB GLU 17 -5.118 -8.525 2.335
90 HG2 GLU 17 1HG GLU 17 -4.468 -8.440 4.605
91 HG3 GLU 17 2HG GLU 17 -5.433 -6.994 4.899
92 H LYS 18 H LYS 18 -3.643 -4.805 0.762
93 HA LYS 18 HA LYS 18 -3.494 -6.646 -1.474
94 HB2 LYS 18 1HB LYS 18 -3.109 -3.667 -1.214
95 HB3 LYS 18 2HB LYS 18 -2.800 -4.529 -2.715
96 HG2 LYS 18 1HG LYS 18 -5.173 -5.373 -2.579
97 HG3 LYS 18 2HG LYS 18 -5.414 -4.214 -1.269
98 HD2 LYS 18 1HD LYS 18 -6.118 -2.999 -3.099
99 HD3 LYS 18 2HD LYS 18 -4.427 -2.507 -2.980
100 HE2 LYS 18 1HE LYS 18 -4.982 -2.998 -5.283
101 HE3 LYS 18 2HE LYS 18 -3.844 -4.198 -4.674
102 HZ1 LYS 18 3HZ LYS 18 -5.286 -5.691 -5.439
103 HZ2 LYS 18 1HZ LYS 18 -6.518 -4.549 -5.638
104 HZ3 LYS 18 2HZ LYS 18 -6.278 -5.280 -4.132
105 H ALA 19 H ALA 19 -1.545 -6.491 -2.938
106 HA ALA 19 HA ALA 19 0.967 -5.990 -1.545
107 HB1 ALA 19 3HB ALA 19 0.045 -8.690 -2.447
108 HB2 ALA 19 1HB ALA 19 1.764 -8.293 -2.412
109 HB3 ALA 19 2HB ALA 19 0.810 -8.219 -0.929
110 H PHE 20 H PHE 20 2.817 -5.960 -2.970
111 HA PHE 20 HA PHE 20 2.221 -5.891 -5.832
112 HB2 PHE 20 1HB PHE 20 3.596 -3.623 -4.376
113 HB3 PHE 20 2HB PHE 20 3.317 -3.723 -6.112
114 HD1 PHE 20 HD2 PHE 20 1.504 -3.681 -2.865
115 HD2 PHE 20 HD1 PHE 20 1.409 -2.792 -7.026
116 HE1 PHE 20 HE2 PHE 20 -0.670 -2.566 -2.574
117 HE2 PHE 20 HE1 PHE 20 -0.764 -1.674 -6.742
118 HZ PHE 20 HZ PHE 20 -1.807 -1.561 -4.514
119 H SER 21 H SER 21 4.161 -5.877 -7.177
120 HA SER 21 HA SER 21 6.204 -7.569 -6.025
121 HB2 SER 21 1HB SER 21 5.350 -8.107 -8.245
122 HB3 SER 21 2HB SER 21 5.839 -6.521 -8.843
123 HG SER 21 HG SER 21 8.015 -7.403 -7.896
124 H SER 22 H SER 22 6.057 -4.383 -7.589
125 HA SER 22 HA SER 22 8.810 -3.860 -6.724
126 HB2 SER 22 1HB SER 22 7.904 -3.447 -9.140
127 HB3 SER 22 2HB SER 22 7.210 -1.985 -8.439
128 HG SER 22 HG SER 22 9.939 -2.661 -8.134
129 H LYS 23 H LYS 23 9.282 -2.451 -5.152
130 HA LYS 23 HA LYS 23 7.455 -1.602 -3.279
131 HB2 LYS 23 1HB LYS 23 9.931 -1.650 -2.988
132 HB3 LYS 23 2HB LYS 23 10.040 -0.192 -3.965
133 HG2 LYS 23 1HG LYS 23 10.168 0.448 -1.680
134 HG3 LYS 23 2HG LYS 23 8.589 0.951 -2.288
135 HD2 LYS 23 1HD LYS 23 7.461 -0.638 -1.062
136 HD3 LYS 23 2HD LYS 23 8.855 -1.718 -0.983
137 HE2 LYS 23 1HE LYS 23 9.951 -0.036 0.519
138 HE3 LYS 23 2HE LYS 23 8.420 0.837 0.555
139 HZ1 LYS 23 3HZ LYS 23 7.389 -1.235 1.411
140 HZ2 LYS 23 1HZ LYS 23 8.529 -0.557 2.462
141 HZ3 LYS 23 2HZ LYS 23 8.933 -1.914 1.538
142 H SER 24 H SER 24 8.977 0.480 -5.747
143 HA SER 24 HA SER 24 7.738 2.836 -5.361
144 HB2 SER 24 1HB SER 24 8.068 1.532 -8.074
145 HB3 SER 24 2HB SER 24 7.891 3.260 -7.770
146 HG SER 24 HG SER 24 10.119 2.004 -7.915
147 H TYR 25 H TYR 25 6.309 0.093 -7.106
148 HA TYR 25 HA TYR 25 3.888 1.305 -7.797
149 HB2 TYR 25 1HB TYR 25 4.840 -1.497 -7.498
150 HB3 TYR 25 2HB TYR 25 3.100 -1.239 -7.560
151 HD1 TYR 25 HD1 TYR 25 2.728 0.855 -9.490
152 HD2 TYR 25 HD2 TYR 25 5.543 -2.335 -9.532
153 HE1 TYR 25 HE1 TYR 25 2.832 0.988 -11.943
154 HE2 TYR 25 HE2 TYR 25 5.656 -2.211 -11.986
155 HH TYR 25 HH TYR 25 5.193 -0.264 -13.753
156 H LEU 26 H LEU 26 4.834 -0.453 -4.879
157 HA LEU 26 HA LEU 26 2.303 -0.515 -3.655
158 HB2 LEU 26 1HB LEU 26 3.912 -1.947 -2.757
159 HB3 LEU 26 2HB LEU 26 5.112 -0.663 -2.626
160 HG LEU 26 HG LEU 26 3.777 0.326 -0.780
161 HD11 LEU 26 1HD1 LEU 26 2.265 -2.220 -0.522
162 HD12 LEU 26 2HD1 LEU 26 1.680 -1.008 -1.661
163 HD13 LEU 26 3HD1 LEU 26 1.861 -0.599 0.045
164 HD21 LEU 26 3HD2 LEU 26 5.269 -0.793 0.424
165 HD22 LEU 26 1HD2 LEU 26 5.321 -2.098 -0.761
166 HD23 LEU 26 2HD2 LEU 26 4.119 -2.126 0.529
167 H LEU 27 H LEU 27 5.005 1.768 -3.268
168 HA LEU 27 HA LEU 27 3.873 3.451 -1.382
169 HB2 LEU 27 1HB LEU 27 5.694 4.155 -3.679
170 HB3 LEU 27 2HB LEU 27 5.355 5.203 -2.303
171 HG LEU 27 HG LEU 27 6.509 2.486 -1.837
172 HD11 LEU 27 1HD1 LEU 27 7.749 4.050 -3.626
173 HD12 LEU 27 2HD1 LEU 27 8.606 3.012 -2.487
174 HD13 LEU 27 3HD1 LEU 27 8.404 4.728 -2.136
175 HD21 LEU 27 3HD2 LEU 27 5.695 4.434 -0.157
176 HD22 LEU 27 1HD2 LEU 27 7.390 4.878 -0.364
177 HD23 LEU 27 2HD2 LEU 27 6.965 3.270 0.225
178 H VAL 28 H VAL 28 3.886 3.968 -4.915
179 HA VAL 28 HA VAL 28 2.253 6.177 -5.034
180 HB VAL 28 HB VAL 28 2.320 3.879 -6.995
181 HG11 VAL 28 1HG1 VAL 28 1.626 5.669 -8.625
182 HG12 VAL 28 2HG1 VAL 28 0.388 5.173 -7.469
183 HG13 VAL 28 3HG1 VAL 28 1.262 6.687 -7.231
184 HG21 VAL 28 3HG2 VAL 28 3.745 5.992 -8.049
185 HG22 VAL 28 1HG2 VAL 28 4.199 6.001 -6.345
186 HG23 VAL 28 2HG2 VAL 28 4.429 4.544 -7.312
187 H HIS 29 H HIS 29 1.311 2.776 -4.837
188 HA HIS 29 HA HIS 29 -1.431 3.055 -5.247
189 HB2 HIS 29 1HB HIS 29 -0.795 0.843 -5.222
190 HB3 HIS 29 2HB HIS 29 0.292 1.059 -3.854
191 HD1 HIS 29 HD1 HIS 29 -3.307 0.435 -4.691
192 HD2 HIS 29 HD2 HIS 29 -0.856 0.676 -1.345
193 HE1 HIS 29 HE1 HIS 29 -4.686 -0.446 -2.782
194 H GLN 30 H GLN 30 0.349 3.007 -2.158
195 HA GLN 30 HA GLN 30 -1.623 3.298 -0.339
196 HB2 GLN 30 1HB GLN 30 1.101 4.524 -0.508
197 HB3 GLN 30 2HB GLN 30 0.034 4.985 0.812
198 HG2 GLN 30 1HG GLN 30 0.141 2.942 1.805
199 HG3 GLN 30 2HG GLN 30 0.405 2.092 0.283
200 HE21 GLN 30 1HE2 GLN 30 2.427 1.599 -0.316
201 HE22 GLN 30 2HE2 GLN 30 3.851 2.060 0.546
202 H GLN 31 H GLN 31 -0.351 5.874 -2.404
203 HA GLN 31 HA GLN 31 -1.547 8.097 -1.385
204 HB2 GLN 31 1HB GLN 31 -1.306 7.331 -4.298
205 HB3 GLN 31 2HB GLN 31 -1.677 8.950 -3.722
206 HG2 GLN 31 1HG GLN 31 0.508 8.836 -2.441
207 HG3 GLN 31 2HG GLN 31 0.870 7.400 -3.397
208 HE21 GLN 31 1HE2 GLN 31 0.404 7.793 -5.833
209 HE22 GLN 31 2HE2 GLN 31 1.083 9.245 -6.477
210 H THR 32 H THR 32 -3.062 5.659 -3.460
211 HA THR 32 HA THR 32 -5.481 6.760 -4.023
212 HB THR 32 HB THR 32 -6.462 4.503 -3.963
213 HG1 THR 32 HG1 THR 32 -5.081 3.968 -1.997
214 HG21 THR 32 3HG2 THR 32 -3.639 4.454 -5.032
215 HG22 THR 32 1HG2 THR 32 -5.006 5.210 -5.849
216 HG23 THR 32 2HG2 THR 32 -4.994 3.467 -5.578
217 H HIS 33 H HIS 33 -4.425 5.477 -0.924
218 HA HIS 33 HA HIS 33 -6.918 5.469 0.377
219 HB2 HIS 33 1HB HIS 33 -4.078 5.645 1.352
220 HB3 HIS 33 2HB HIS 33 -5.429 5.742 2.477
221 HD1 HIS 33 HD1 HIS 33 -6.944 3.588 2.675
222 HD2 HIS 33 HD2 HIS 33 -3.464 3.111 0.456
223 HE1 HIS 33 HE1 HIS 33 -6.621 1.104 2.457
224 H ALA 34 H ALA 34 -4.475 7.985 -0.022
225 HA ALA 34 HA ALA 34 -5.406 9.901 1.733
226 HB1 ALA 34 3HB ALA 34 -3.525 9.800 -0.323
227 HB2 ALA 34 1HB ALA 34 -4.599 11.134 -0.744
228 HB3 ALA 34 2HB ALA 34 -3.785 11.116 0.821
229 H GLU 35 H GLU 35 -6.581 9.097 -1.494
230 HA GLU 35 HA GLU 35 -8.661 11.150 -1.256
231 HB2 GLU 35 1HB GLU 35 -7.133 10.678 -3.368
232 HB3 GLU 35 2HB GLU 35 -8.357 9.459 -3.696
233 HG2 GLU 35 1HG GLU 35 -10.050 11.050 -3.925
234 HG3 GLU 35 2HG GLU 35 -9.096 12.307 -3.140
235 H GLU 36 H GLU 36 -10.822 10.411 -2.310
236 HA GLU 36 HA GLU 36 -12.715 9.165 -2.113
237 HB2 GLU 36 1HB GLU 36 -11.105 7.554 -3.367
238 HB3 GLU 36 2HB GLU 36 -11.033 6.695 -1.835
239 HG2 GLU 36 1HG GLU 36 -13.431 6.359 -1.877
240 HG3 GLU 36 2HG GLU 36 -13.553 7.288 -3.370
241 H LYS 37 H LYS 37 -11.257 10.124 0.282
242 HA LYS 37 HA LYS 37 -11.623 8.161 2.337
243 HB2 LYS 37 1HB LYS 37 -10.829 9.781 3.833
244 HB3 LYS 37 2HB LYS 37 -9.988 10.144 2.331
245 HG2 LYS 37 1HG LYS 37 -11.725 11.882 1.874
246 HG3 LYS 37 2HG LYS 37 -12.352 11.592 3.499
247 HD2 LYS 37 1HD LYS 37 -9.453 12.215 3.093
248 HD3 LYS 37 2HD LYS 37 -10.646 13.516 3.102
249 HE2 LYS 37 1HE LYS 37 -11.443 12.334 5.307
250 HE3 LYS 37 2HE LYS 37 -9.803 11.688 5.303
251 HZ1 LYS 37 3HZ LYS 37 -10.507 14.058 6.350
252 HZ2 LYS 37 1HZ LYS 37 -9.972 14.529 4.815
253 HZ3 LYS 37 2HZ LYS 37 -8.942 13.666 5.843
254 HA PRO 38 HA PRO 38 -15.861 8.754 3.321
255 HB2 PRO 38 1HB PRO 38 -15.832 8.313 6.000
256 HB3 PRO 38 2HB PRO 38 -15.629 7.020 4.811
257 HG2 PRO 38 1HG PRO 38 -13.550 8.484 6.392
258 HG3 PRO 38 2HG PRO 38 -13.674 6.750 6.042
259 HD2 PRO 38 1HD PRO 38 -12.011 8.395 4.679
260 HD3 PRO 38 2HD PRO 38 -12.784 6.984 3.929
261 H SER 39 H SER 39 -17.282 9.897 5.046
262 HA SER 39 HA SER 39 -16.583 12.673 4.995
263 HB2 SER 39 1HB SER 39 -18.922 11.287 6.329
264 HB3 SER 39 2HB SER 39 -18.771 13.023 6.061
265 HG SER 39 HG SER 39 -19.811 11.284 4.429
266 H GLY 40 H GLY 40 -17.616 10.658 7.755
267 HA2 GLY 40 1HA GLY 40 -16.992 12.166 9.868
268 HA3 GLY 40 2HA GLY 40 -16.621 10.449 9.850
269 HA PRO 41 HA PRO 41 -12.754 13.341 9.750
270 HB2 PRO 41 1HB PRO 41 -12.411 13.920 12.380
271 HB3 PRO 41 2HB PRO 41 -13.319 14.961 11.278
272 HG2 PRO 41 1HG PRO 41 -14.332 12.942 13.242
273 HG3 PRO 41 2HG PRO 41 -14.943 14.570 12.896
274 HD2 PRO 41 1HD PRO 41 -16.101 12.338 11.893
275 HD3 PRO 41 2HD PRO 41 -16.083 13.881 11.015
276 H SER 42 H SER 42 -10.815 12.354 9.933
277 HA SER 42 HA SER 42 -10.654 9.668 10.758
278 HB2 SER 42 1HB SER 42 -8.192 9.956 10.428
279 HB3 SER 42 2HB SER 42 -9.153 10.516 9.060
280 HG SER 42 HG SER 42 -8.953 12.614 10.501
281 H SER 43 H SER 43 -10.062 8.717 12.622
282 HA SER 43 HA SER 43 -9.170 10.459 14.825
283 HB2 SER 43 1HB SER 43 -10.466 8.998 16.368
284 HB3 SER 43 2HB SER 43 -11.491 9.851 15.213
285 HG SER 43 HG SER 43 -12.207 7.822 15.063
286 H GLY 44 H GLY 44 -7.049 9.699 13.892
287 HA2 GLY 44 1HA GLY 44 -5.182 8.554 14.868
288 HA3 GLY 44 2HA GLY 44 -6.263 7.236 15.296
Start of MODEL 15
1 H1 GLY 1 H GLY 1 1.933 -29.824 -7.104
2 HA2 GLY 1 1HA GLY 1 3.674 -29.083 -8.764
3 HA3 GLY 1 2HA GLY 1 2.695 -27.762 -8.144
4 H SER 2 H SER 2 5.047 -27.051 -9.129
5 HA SER 2 HA SER 2 7.047 -27.005 -7.020
6 HB2 SER 2 1HB SER 2 8.465 -25.876 -8.666
7 HB3 SER 2 2HB SER 2 7.749 -27.327 -9.367
8 HG SER 2 HG SER 2 7.634 -24.905 -10.327
9 H SER 3 H SER 3 5.047 -24.692 -8.824
10 HA SER 3 HA SER 3 5.917 -22.472 -7.203
11 HB2 SER 3 1HB SER 3 4.282 -21.170 -8.518
12 HB3 SER 3 2HB SER 3 5.347 -22.115 -9.558
13 HG SER 3 HG SER 3 2.624 -22.427 -9.032
14 H GLY 4 H GLY 4 5.337 -23.002 -5.091
15 HA2 GLY 4 1HA GLY 4 2.623 -23.717 -4.432
16 HA3 GLY 4 2HA GLY 4 3.927 -23.402 -3.296
17 H SER 5 H SER 5 4.663 -20.919 -3.565
18 HA SER 5 HA SER 5 2.279 -19.419 -2.835
19 HB2 SER 5 1HB SER 5 3.880 -17.703 -2.051
20 HB3 SER 5 2HB SER 5 4.216 -19.286 -1.350
21 HG SER 5 HG SER 5 5.701 -17.782 -3.141
22 H SER 6 H SER 6 2.337 -20.014 -5.532
23 HA SER 6 HA SER 6 3.465 -18.481 -7.400
24 HB2 SER 6 1HB SER 6 1.556 -20.087 -7.751
25 HB3 SER 6 2HB SER 6 0.458 -18.791 -7.277
26 HG SER 6 HG SER 6 2.326 -18.218 -9.261
27 H GLY 7 H GLY 7 4.016 -16.407 -7.410
28 HA2 GLY 7 1HA GLY 7 3.119 -14.148 -7.815
29 HA3 GLY 7 2HA GLY 7 2.018 -14.439 -6.478
30 H GLU 8 H GLU 8 5.336 -13.769 -7.375
31 HA GLU 8 HA GLU 8 6.340 -13.671 -4.707
32 HB2 GLU 8 1HB GLU 8 7.421 -12.547 -7.295
33 HB3 GLU 8 2HB GLU 8 8.293 -12.517 -5.769
34 HG2 GLU 8 1HG GLU 8 7.360 -15.010 -7.172
35 HG3 GLU 8 2HG GLU 8 8.994 -14.352 -7.248
36 H LYS 9 H LYS 9 4.840 -12.340 -3.607
37 HA LYS 9 HA LYS 9 5.190 -9.468 -4.161
38 HB2 LYS 9 1HB LYS 9 2.704 -10.986 -3.416
39 HB3 LYS 9 2HB LYS 9 2.855 -9.269 -3.066
40 HG2 LYS 9 1HG LYS 9 1.777 -9.247 -5.093
41 HG3 LYS 9 2HG LYS 9 3.464 -9.078 -5.585
42 HD2 LYS 9 1HD LYS 9 3.377 -11.696 -5.684
43 HD3 LYS 9 2HD LYS 9 1.638 -11.428 -5.825
44 HE2 LYS 9 1HE LYS 9 2.727 -11.604 -8.019
45 HE3 LYS 9 2HE LYS 9 1.987 -10.023 -7.772
46 HZ1 LYS 9 3HZ LYS 9 4.634 -9.916 -6.863
47 HZ2 LYS 9 1HZ LYS 9 3.938 -9.087 -8.163
48 HZ3 LYS 9 2HZ LYS 9 4.645 -10.604 -8.409
49 HA PRO 10 HA PRO 10 6.663 -10.478 0.126
50 HB2 PRO 10 1HB PRO 10 8.942 -9.014 -0.060
51 HB3 PRO 10 2HB PRO 10 8.835 -10.697 -0.590
52 HG2 PRO 10 1HG PRO 10 8.690 -8.187 -2.215
53 HG3 PRO 10 2HG PRO 10 9.554 -9.696 -2.562
54 HD2 PRO 10 1HD PRO 10 7.172 -9.087 -3.695
55 HD3 PRO 10 2HD PRO 10 7.654 -10.755 -3.325
56 H PHE 11 H PHE 11 5.639 -7.791 -1.615
57 HA PHE 11 HA PHE 11 5.786 -6.059 0.762
58 HB2 PHE 11 1HB PHE 11 5.449 -5.264 -2.138
59 HB3 PHE 11 2HB PHE 11 5.534 -4.155 -0.773
60 HD1 PHE 11 HD1 PHE 11 7.431 -6.489 -2.874
61 HD2 PHE 11 HD2 PHE 11 7.621 -3.618 0.263
62 HE1 PHE 11 HE1 PHE 11 9.880 -6.409 -3.099
63 HE2 PHE 11 HE2 PHE 11 10.070 -3.533 0.042
64 HZ PHE 11 HZ PHE 11 11.203 -4.929 -1.641
65 H GLY 12 H GLY 12 3.947 -5.780 1.827
66 HA2 GLY 12 1HA GLY 12 1.417 -5.936 0.310
67 HA3 GLY 12 2HA GLY 12 1.605 -6.723 1.870
68 H CYS 13 H CYS 13 0.135 -4.231 0.521
69 HA CYS 13 HA CYS 13 0.792 -1.928 1.892
70 HB2 CYS 13 1HB CYS 13 -0.893 -2.053 0.085
71 HB3 CYS 13 2HB CYS 13 -1.996 -2.870 1.188
72 H SER 14 H SER 14 -0.237 -0.893 3.733
73 HA SER 14 HA SER 14 -0.632 -2.803 5.909
74 HB2 SER 14 1HB SER 14 1.015 -0.840 6.025
75 HB3 SER 14 2HB SER 14 -0.405 0.192 6.192
76 HG SER 14 HG SER 14 -0.710 -0.529 8.162
77 H CYS 15 H CYS 15 -2.271 -0.188 4.229
78 HA CYS 15 HA CYS 15 -4.513 -0.096 5.997
79 HB2 CYS 15 1HB CYS 15 -3.642 1.695 4.304
80 HB3 CYS 15 2HB CYS 15 -4.634 0.821 3.144
81 HG CYS 15 HG CYS 15 -5.610 2.679 5.809
82 H CYS 16 H CYS 16 -3.888 -1.603 2.852
83 HA CYS 16 HA CYS 16 -6.389 -3.128 3.167
84 HB2 CYS 16 1HB CYS 16 -6.384 -3.404 0.728
85 HB3 CYS 16 2HB CYS 16 -6.378 -1.701 1.173
86 H GLU 17 H GLU 17 -6.080 -5.199 1.539
87 HA GLU 17 HA GLU 17 -3.782 -6.630 2.684
88 HB2 GLU 17 1HB GLU 17 -5.025 -8.640 2.503
89 HB3 GLU 17 2HB GLU 17 -6.134 -7.442 3.155
90 HG2 GLU 17 1HG GLU 17 -6.072 -7.814 0.214
91 HG3 GLU 17 2HG GLU 17 -6.817 -9.075 1.195
92 H LYS 18 H LYS 18 -3.688 -4.913 0.304
93 HA LYS 18 HA LYS 18 -3.403 -6.752 -1.924
94 HB2 LYS 18 1HB LYS 18 -3.053 -3.772 -1.635
95 HB3 LYS 18 2HB LYS 18 -2.627 -4.626 -3.112
96 HG2 LYS 18 1HG LYS 18 -4.960 -5.444 -3.257
97 HG3 LYS 18 2HG LYS 18 -5.354 -4.458 -1.847
98 HD2 LYS 18 1HD LYS 18 -5.048 -2.463 -3.004
99 HD3 LYS 18 2HD LYS 18 -4.064 -3.226 -4.254
100 HE2 LYS 18 1HE LYS 18 -6.055 -2.909 -5.367
101 HE3 LYS 18 2HE LYS 18 -6.248 -4.555 -4.765
102 HZ1 LYS 18 3HZ LYS 18 -7.360 -2.098 -3.520
103 HZ2 LYS 18 1HZ LYS 18 -7.510 -3.662 -2.891
104 HZ3 LYS 18 2HZ LYS 18 -8.236 -3.272 -4.368
105 H ALA 19 H ALA 19 -1.374 -6.648 -3.247
106 HA ALA 19 HA ALA 19 1.051 -6.101 -1.725
107 HB1 ALA 19 3HB ALA 19 0.911 -8.777 -3.020
108 HB2 ALA 19 1HB ALA 19 1.876 -8.234 -1.647
109 HB3 ALA 19 2HB ALA 19 0.154 -8.557 -1.442
110 H PHE 20 H PHE 20 2.892 -5.813 -2.999
111 HA PHE 20 HA PHE 20 2.483 -5.910 -5.910
112 HB2 PHE 20 1HB PHE 20 3.731 -3.636 -4.353
113 HB3 PHE 20 2HB PHE 20 3.704 -3.761 -6.109
114 HD1 PHE 20 HD2 PHE 20 1.496 -3.558 -3.134
115 HD2 PHE 20 HD1 PHE 20 1.901 -2.939 -7.326
116 HE1 PHE 20 HE2 PHE 20 -0.690 -2.430 -3.175
117 HE2 PHE 20 HE1 PHE 20 -0.284 -1.808 -7.373
118 HZ PHE 20 HZ PHE 20 -1.583 -1.553 -5.296
119 H SER 21 H SER 21 4.677 -5.520 -7.053
120 HA SER 21 HA SER 21 6.561 -7.410 -5.877
121 HB2 SER 21 1HB SER 21 5.714 -7.526 -8.299
122 HB3 SER 21 2HB SER 21 6.782 -6.158 -8.612
123 HG SER 21 HG SER 21 8.530 -7.415 -8.032
124 H SER 22 H SER 22 6.521 -4.116 -7.192
125 HA SER 22 HA SER 22 9.157 -3.659 -5.965
126 HB2 SER 22 1HB SER 22 9.193 -3.233 -8.343
127 HB3 SER 22 2HB SER 22 7.761 -2.210 -8.226
128 HG SER 22 HG SER 22 9.164 -0.664 -7.993
129 H LYS 23 H LYS 23 9.420 -2.127 -4.434
130 HA LYS 23 HA LYS 23 7.397 -1.294 -2.802
131 HB2 LYS 23 1HB LYS 23 10.128 -0.220 -3.358
132 HB3 LYS 23 2HB LYS 23 9.050 0.717 -2.333
133 HG2 LYS 23 1HG LYS 23 9.696 -2.174 -1.826
134 HG3 LYS 23 2HG LYS 23 10.621 -0.836 -1.140
135 HD2 LYS 23 1HD LYS 23 7.642 -1.083 -0.800
136 HD3 LYS 23 2HD LYS 23 8.788 -1.828 0.317
137 HE2 LYS 23 1HE LYS 23 9.664 0.268 0.965
138 HE3 LYS 23 2HE LYS 23 8.877 1.097 -0.377
139 HZ1 LYS 23 3HZ LYS 23 6.805 -0.030 0.952
140 HZ2 LYS 23 1HZ LYS 23 7.306 1.579 1.109
141 HZ3 LYS 23 2HZ LYS 23 7.840 0.415 2.214
142 H SER 24 H SER 24 8.898 0.696 -5.353
143 HA SER 24 HA SER 24 7.517 3.000 -5.204
144 HB2 SER 24 1HB SER 24 9.046 2.907 -6.964
145 HB3 SER 24 2HB SER 24 8.378 1.402 -7.596
146 HG SER 24 HG SER 24 7.893 3.621 -8.625
147 H TYR 25 H TYR 25 6.340 0.245 -7.143
148 HA TYR 25 HA TYR 25 3.877 1.206 -7.851
149 HB2 TYR 25 1HB TYR 25 4.951 -1.525 -7.349
150 HB3 TYR 25 2HB TYR 25 3.207 -1.356 -7.518
151 HD1 TYR 25 HD1 TYR 25 2.870 0.633 -9.577
152 HD2 TYR 25 HD2 TYR 25 5.781 -2.457 -9.294
153 HE1 TYR 25 HE1 TYR 25 3.104 0.638 -12.025
154 HE2 TYR 25 HE2 TYR 25 6.025 -2.459 -11.742
155 HH TYR 25 HH TYR 25 4.149 -1.590 -13.777
156 H LEU 26 H LEU 26 4.760 -0.393 -4.817
157 HA LEU 26 HA LEU 26 2.162 -0.443 -3.713
158 HB2 LEU 26 1HB LEU 26 3.805 -1.873 -2.786
159 HB3 LEU 26 2HB LEU 26 4.905 -0.529 -2.487
160 HG LEU 26 HG LEU 26 3.400 0.296 -0.729
161 HD11 LEU 26 1HD1 LEU 26 1.277 -0.475 -1.501
162 HD12 LEU 26 2HD1 LEU 26 1.592 -1.231 0.061
163 HD13 LEU 26 3HD1 LEU 26 1.798 -2.158 -1.424
164 HD21 LEU 26 3HD2 LEU 26 3.710 -1.678 0.838
165 HD22 LEU 26 1HD2 LEU 26 5.160 -1.064 0.044
166 HD23 LEU 26 2HD2 LEU 26 4.390 -2.537 -0.545
167 H LEU 27 H LEU 27 4.864 1.830 -3.289
168 HA LEU 27 HA LEU 27 3.649 3.553 -1.470
169 HB2 LEU 27 1HB LEU 27 5.722 4.008 -3.596
170 HB3 LEU 27 2HB LEU 27 5.195 5.294 -2.513
171 HG LEU 27 HG LEU 27 6.402 2.701 -1.562
172 HD11 LEU 27 1HD1 LEU 27 7.939 4.069 -3.003
173 HD12 LEU 27 2HD1 LEU 27 8.491 3.803 -1.349
174 HD13 LEU 27 3HD1 LEU 27 7.794 5.357 -1.806
175 HD21 LEU 27 3HD2 LEU 27 6.708 3.924 0.523
176 HD22 LEU 27 1HD2 LEU 27 5.006 3.879 0.065
177 HD23 LEU 27 2HD2 LEU 27 5.948 5.349 -0.188
178 H VAL 28 H VAL 28 3.768 3.805 -5.023
179 HA VAL 28 HA VAL 28 2.211 6.113 -5.267
180 HB VAL 28 HB VAL 28 2.506 3.803 -7.190
181 HG11 VAL 28 1HG1 VAL 28 0.560 4.908 -7.891
182 HG12 VAL 28 2HG1 VAL 28 1.219 6.499 -7.502
183 HG13 VAL 28 3HG1 VAL 28 1.845 5.597 -8.882
184 HG21 VAL 28 3HG2 VAL 28 4.043 5.454 -8.335
185 HG22 VAL 28 1HG2 VAL 28 3.960 6.415 -6.859
186 HG23 VAL 28 2HG2 VAL 28 4.627 4.783 -6.812
187 H HIS 29 H HIS 29 1.308 2.789 -4.740
188 HA HIS 29 HA HIS 29 -1.420 3.018 -5.485
189 HB2 HIS 29 1HB HIS 29 -0.744 0.811 -5.395
190 HB3 HIS 29 2HB HIS 29 0.203 1.050 -3.930
191 HD1 HIS 29 HD1 HIS 29 -3.453 0.917 -4.965
192 HD2 HIS 29 HD2 HIS 29 -1.021 0.154 -1.684
193 HE1 HIS 29 HE1 HIS 29 -4.966 -0.089 -3.226
194 H GLN 30 H GLN 30 0.213 3.124 -2.325
195 HA GLN 30 HA GLN 30 -1.923 3.424 -0.647
196 HB2 GLN 30 1HB GLN 30 0.861 4.513 -0.595
197 HB3 GLN 30 2HB GLN 30 -0.286 5.047 0.627
198 HG2 GLN 30 1HG GLN 30 -0.371 3.013 1.642
199 HG3 GLN 30 2HG GLN 30 -0.024 2.132 0.156
200 HE21 GLN 30 1HE2 GLN 30 1.934 1.317 -0.050
201 HE22 GLN 30 2HE2 GLN 30 3.333 1.798 0.843
202 H GLN 31 H GLN 31 -0.864 5.605 -3.067
203 HA GLN 31 HA GLN 31 -1.646 8.080 -2.156
204 HB2 GLN 31 1HB GLN 31 -1.988 6.929 -4.930
205 HB3 GLN 31 2HB GLN 31 -2.117 8.637 -4.534
206 HG2 GLN 31 1HG GLN 31 0.362 7.196 -3.763
207 HG3 GLN 31 2HG GLN 31 0.112 7.594 -5.462
208 HE21 GLN 31 1HE2 GLN 31 1.379 9.265 -5.875
209 HE22 GLN 31 2HE2 GLN 31 1.462 10.722 -4.950
210 H THR 32 H THR 32 -3.668 5.525 -3.534
211 HA THR 32 HA THR 32 -6.075 6.941 -3.672
212 HB THR 32 HB THR 32 -5.651 4.674 -4.668
213 HG1 THR 32 HG1 THR 32 -7.756 4.632 -4.795
214 HG21 THR 32 3HG2 THR 32 -6.241 2.739 -3.147
215 HG22 THR 32 1HG2 THR 32 -6.010 3.844 -1.793
216 HG23 THR 32 2HG2 THR 32 -4.663 3.476 -2.871
217 H HIS 33 H HIS 33 -4.398 5.555 -0.969
218 HA HIS 33 HA HIS 33 -6.683 5.619 0.793
219 HB2 HIS 33 1HB HIS 33 -3.752 5.052 1.200
220 HB3 HIS 33 2HB HIS 33 -4.873 5.165 2.553
221 HD1 HIS 33 HD1 HIS 33 -7.217 3.565 1.764
222 HD2 HIS 33 HD2 HIS 33 -3.361 2.434 0.707
223 HE1 HIS 33 HE1 HIS 33 -7.341 1.095 1.313
224 H ALA 34 H ALA 34 -4.365 7.846 -0.316
225 HA ALA 34 HA ALA 34 -4.627 9.584 2.017
226 HB1 ALA 34 3HB ALA 34 -2.547 9.114 0.259
227 HB2 ALA 34 1HB ALA 34 -3.159 10.696 -0.224
228 HB3 ALA 34 2HB ALA 34 -2.644 10.420 1.440
229 H GLU 35 H GLU 35 -6.685 8.929 -0.241
230 HA GLU 35 HA GLU 35 -7.765 11.613 -0.331
231 HB2 GLU 35 1HB GLU 35 -8.094 11.549 -2.798
232 HB3 GLU 35 2HB GLU 35 -6.408 11.676 -2.317
233 HG2 GLU 35 1HG GLU 35 -6.262 9.176 -2.613
234 HG3 GLU 35 2HG GLU 35 -7.852 9.262 -3.367
235 H GLU 36 H GLU 36 -9.986 11.659 -1.145
236 HA GLU 36 HA GLU 36 -12.124 10.887 -0.812
237 HB2 GLU 36 1HB GLU 36 -11.354 10.151 -3.156
238 HB3 GLU 36 2HB GLU 36 -11.230 8.539 -2.467
239 HG2 GLU 36 1HG GLU 36 -13.361 8.997 -3.661
240 HG3 GLU 36 2HG GLU 36 -13.555 8.473 -1.989
241 H LYS 37 H LYS 37 -10.177 9.982 1.187
242 HA LYS 37 HA LYS 37 -10.655 7.262 1.838
243 HB2 LYS 37 1HB LYS 37 -9.440 7.662 3.800
244 HB3 LYS 37 2HB LYS 37 -8.757 8.799 2.645
245 HG2 LYS 37 1HG LYS 37 -10.928 9.576 4.566
246 HG3 LYS 37 2HG LYS 37 -9.214 9.666 4.980
247 HD2 LYS 37 1HD LYS 37 -8.851 11.140 3.035
248 HD3 LYS 37 2HD LYS 37 -10.582 11.086 2.694
249 HE2 LYS 37 1HE LYS 37 -9.711 11.890 5.421
250 HE3 LYS 37 2HE LYS 37 -9.489 13.043 4.106
251 HZ1 LYS 37 3HZ LYS 37 -11.773 13.117 3.696
252 HZ2 LYS 37 1HZ LYS 37 -11.660 13.143 5.384
253 HZ3 LYS 37 2HZ LYS 37 -12.086 11.713 4.587
254 HA PRO 38 HA PRO 38 -14.606 7.384 3.753
255 HB2 PRO 38 1HB PRO 38 -14.323 5.428 5.614
256 HB3 PRO 38 2HB PRO 38 -14.470 5.094 3.885
257 HG2 PRO 38 1HG PRO 38 -12.012 5.207 5.589
258 HG3 PRO 38 2HG PRO 38 -12.448 4.036 4.331
259 HD2 PRO 38 1HD PRO 38 -10.724 6.076 3.887
260 HD3 PRO 38 2HD PRO 38 -11.794 5.438 2.622
261 H SER 39 H SER 39 -15.544 7.201 6.139
262 HA SER 39 HA SER 39 -14.577 9.504 7.518
263 HB2 SER 39 1HB SER 39 -16.376 8.957 9.164
264 HB3 SER 39 2HB SER 39 -16.954 9.044 7.500
265 HG SER 39 HG SER 39 -16.117 6.543 8.245
266 H GLY 40 H GLY 40 -12.704 9.395 8.593
267 HA2 GLY 40 1HA GLY 40 -11.479 7.139 9.641
268 HA3 GLY 40 2HA GLY 40 -11.173 8.780 10.190
269 HA PRO 41 HA PRO 41 -13.732 6.080 13.266
270 HB2 PRO 41 1HB PRO 41 -11.776 4.763 14.611
271 HB3 PRO 41 2HB PRO 41 -12.601 4.082 13.203
272 HG2 PRO 41 1HG PRO 41 -9.936 5.435 13.366
273 HG3 PRO 41 2HG PRO 41 -10.396 3.974 12.473
274 HD2 PRO 41 1HD PRO 41 -10.159 6.395 11.284
275 HD3 PRO 41 2HD PRO 41 -11.329 5.175 10.741
276 H SER 42 H SER 42 -11.009 8.146 13.267
277 HA SER 42 HA SER 42 -10.574 8.602 15.978
278 HB2 SER 42 1HB SER 42 -10.338 10.455 13.603
279 HB3 SER 42 2HB SER 42 -9.808 10.897 15.226
280 HG SER 42 HG SER 42 -8.251 9.864 13.638
281 H SER 43 H SER 43 -11.218 10.458 17.286
282 HA SER 43 HA SER 43 -14.016 11.224 16.768
283 HB2 SER 43 1HB SER 43 -12.610 10.901 19.430
284 HB3 SER 43 2HB SER 43 -14.289 11.394 19.211
285 HG SER 43 HG SER 43 -14.253 9.200 19.603
286 H GLY 44 H GLY 44 -12.057 12.739 15.594
287 HA2 GLY 44 1HA GLY 44 -12.572 15.282 15.857
288 HA3 GLY 44 2HA GLY 44 -11.663 15.062 17.345
Start of MODEL 16
1 H1 GLY 1 H GLY 1 6.953 -13.474 -17.015
2 HA2 GLY 1 1HA GLY 1 7.185 -11.728 -15.528
3 HA3 GLY 1 2HA GLY 1 5.573 -11.195 -15.982
4 H SER 2 H SER 2 3.775 -12.669 -15.106
5 HA SER 2 HA SER 2 4.449 -13.664 -12.428
6 HB2 SER 2 1HB SER 2 2.087 -11.860 -13.005
7 HB3 SER 2 2HB SER 2 2.560 -12.509 -11.435
8 HG SER 2 HG SER 2 3.320 -10.406 -11.623
9 H SER 3 H SER 3 3.564 -15.578 -11.990
10 HA SER 3 HA SER 3 1.305 -16.477 -13.658
11 HB2 SER 3 1HB SER 3 2.222 -18.784 -13.404
12 HB3 SER 3 2HB SER 3 3.304 -17.701 -14.281
13 HG SER 3 HG SER 3 4.140 -19.110 -12.450
14 H GLY 4 H GLY 4 0.160 -18.419 -12.588
15 HA2 GLY 4 1HA GLY 4 -1.049 -19.276 -10.829
16 HA3 GLY 4 2HA GLY 4 0.196 -18.652 -9.757
17 H SER 5 H SER 5 -3.001 -18.468 -10.497
18 HA SER 5 HA SER 5 -3.915 -15.964 -10.582
19 HB2 SER 5 1HB SER 5 -5.753 -16.616 -9.044
20 HB3 SER 5 2HB SER 5 -5.409 -17.860 -10.246
21 HG SER 5 HG SER 5 -5.035 -19.163 -8.657
22 H SER 6 H SER 6 -2.808 -17.462 -7.543
23 HA SER 6 HA SER 6 -2.528 -14.760 -6.409
24 HB2 SER 6 1HB SER 6 -4.069 -16.338 -5.221
25 HB3 SER 6 2HB SER 6 -2.684 -17.385 -4.909
26 HG SER 6 HG SER 6 -3.198 -14.790 -3.924
27 H GLY 7 H GLY 7 -0.622 -14.140 -5.416
28 HA2 GLY 7 1HA GLY 7 1.641 -16.018 -5.637
29 HA3 GLY 7 2HA GLY 7 1.775 -14.381 -6.262
30 H GLU 8 H GLU 8 3.671 -14.830 -4.605
31 HA GLU 8 HA GLU 8 2.782 -13.791 -1.993
32 HB2 GLU 8 1HB GLU 8 3.933 -16.155 -2.245
33 HB3 GLU 8 2HB GLU 8 5.402 -15.192 -2.300
34 HG2 GLU 8 1HG GLU 8 4.824 -16.039 -0.045
35 HG3 GLU 8 2HG GLU 8 4.980 -14.285 -0.138
36 H LYS 9 H LYS 9 3.265 -11.718 -1.775
37 HA LYS 9 HA LYS 9 5.760 -10.716 -2.982
38 HB2 LYS 9 1HB LYS 9 3.026 -9.558 -2.799
39 HB3 LYS 9 2HB LYS 9 4.382 -8.449 -2.652
40 HG2 LYS 9 1HG LYS 9 3.752 -8.471 -4.929
41 HG3 LYS 9 2HG LYS 9 5.257 -9.385 -4.809
42 HD2 LYS 9 1HD LYS 9 3.950 -10.724 -6.184
43 HD3 LYS 9 2HD LYS 9 3.707 -11.447 -4.592
44 HE2 LYS 9 1HE LYS 9 1.622 -10.136 -4.361
45 HE3 LYS 9 2HE LYS 9 1.857 -9.521 -5.997
46 HZ1 LYS 9 3HZ LYS 9 1.673 -12.415 -5.392
47 HZ2 LYS 9 1HZ LYS 9 1.554 -11.657 -6.900
48 HZ3 LYS 9 2HZ LYS 9 0.317 -11.474 -5.761
49 HA PRO 10 HA PRO 10 7.120 -9.844 1.125
50 HB2 PRO 10 1HB PRO 10 9.116 -8.111 0.506
51 HB3 PRO 10 2HB PRO 10 9.245 -9.856 0.253
52 HG2 PRO 10 1HG PRO 10 8.590 -7.699 -1.717
53 HG3 PRO 10 2HG PRO 10 9.660 -9.101 -1.907
54 HD2 PRO 10 1HD PRO 10 7.139 -9.048 -2.895
55 HD3 PRO 10 2HD PRO 10 7.908 -10.541 -2.319
56 H PHE 11 H PHE 11 5.660 -7.605 -0.959
57 HA PHE 11 HA PHE 11 5.504 -5.616 1.210
58 HB2 PHE 11 1HB PHE 11 5.513 -5.176 -1.780
59 HB3 PHE 11 2HB PHE 11 5.119 -3.924 -0.608
60 HD1 PHE 11 HD2 PHE 11 6.836 -3.002 0.853
61 HD2 PHE 11 HD1 PHE 11 7.769 -5.919 -2.101
62 HE1 PHE 11 HE2 PHE 11 9.225 -2.455 1.074
63 HE2 PHE 11 HE1 PHE 11 10.160 -5.379 -1.885
64 HZ PHE 11 HZ PHE 11 10.890 -3.644 -0.297
65 H GLY 12 H GLY 12 3.544 -5.338 2.042
66 HA2 GLY 12 1HA GLY 12 1.204 -5.895 0.334
67 HA3 GLY 12 2HA GLY 12 1.306 -6.549 1.962
68 H CYS 13 H CYS 13 -0.519 -4.557 0.548
69 HA CYS 13 HA CYS 13 -0.121 -2.020 1.729
70 HB2 CYS 13 1HB CYS 13 -1.596 -2.530 -0.252
71 HB3 CYS 13 2HB CYS 13 -2.764 -3.211 0.876
72 H SER 14 H SER 14 -1.652 -1.021 3.304
73 HA SER 14 HA SER 14 -2.082 -2.872 5.544
74 HB2 SER 14 1HB SER 14 -0.568 -1.016 6.028
75 HB3 SER 14 2HB SER 14 -1.798 0.143 5.526
76 HG SER 14 HG SER 14 -2.335 0.085 7.559
77 H CYS 15 H CYS 15 -3.635 -0.358 3.626
78 HA CYS 15 HA CYS 15 -6.086 -0.402 5.095
79 HB2 CYS 15 1HB CYS 15 -5.173 1.496 3.627
80 HB3 CYS 15 2HB CYS 15 -5.771 0.565 2.259
81 HG CYS 15 HG CYS 15 -7.495 2.745 3.076
82 H CYS 16 H CYS 16 -4.940 -1.890 2.100
83 HA CYS 16 HA CYS 16 -7.414 -3.487 2.017
84 HB2 CYS 16 1HB CYS 16 -7.058 -3.768 -0.356
85 HB3 CYS 16 2HB CYS 16 -6.983 -2.051 0.027
86 H GLU 17 H GLU 17 -6.777 -5.588 0.533
87 HA GLU 17 HA GLU 17 -4.663 -6.918 2.088
88 HB2 GLU 17 1HB GLU 17 -5.818 -9.016 1.602
89 HB3 GLU 17 2HB GLU 17 -6.902 -7.870 2.379
90 HG2 GLU 17 1HG GLU 17 -8.053 -7.438 0.376
91 HG3 GLU 17 2HG GLU 17 -6.807 -8.216 -0.599
92 H LYS 18 H LYS 18 -4.250 -5.298 -0.325
93 HA LYS 18 HA LYS 18 -3.510 -7.284 -2.336
94 HB2 LYS 18 1HB LYS 18 -3.456 -4.262 -2.378
95 HB3 LYS 18 2HB LYS 18 -2.932 -5.277 -3.715
96 HG2 LYS 18 1HG LYS 18 -5.114 -6.079 -4.095
97 HG3 LYS 18 2HG LYS 18 -5.697 -5.440 -2.557
98 HD2 LYS 18 1HD LYS 18 -5.832 -3.294 -3.344
99 HD3 LYS 18 2HD LYS 18 -4.543 -3.532 -4.527
100 HE2 LYS 18 1HE LYS 18 -6.418 -3.400 -5.870
101 HE3 LYS 18 2HE LYS 18 -6.237 -5.141 -5.660
102 HZ1 LYS 18 3HZ LYS 18 -8.169 -5.272 -4.585
103 HZ2 LYS 18 1HZ LYS 18 -8.494 -3.721 -5.178
104 HZ3 LYS 18 2HZ LYS 18 -7.851 -3.915 -3.626
105 H ALA 19 H ALA 19 -1.335 -6.872 -3.438
106 HA ALA 19 HA ALA 19 0.753 -5.878 -1.687
107 HB1 ALA 19 3HB ALA 19 0.470 -8.792 -2.359
108 HB2 ALA 19 1HB ALA 19 2.015 -8.074 -1.903
109 HB3 ALA 19 2HB ALA 19 0.659 -8.042 -0.774
110 H PHE 20 H PHE 20 2.847 -5.787 -2.738
111 HA PHE 20 HA PHE 20 2.763 -6.094 -5.656
112 HB2 PHE 20 1HB PHE 20 3.805 -3.640 -4.227
113 HB3 PHE 20 2HB PHE 20 3.820 -3.913 -5.966
114 HD1 PHE 20 HD2 PHE 20 1.562 -3.507 -3.055
115 HD2 PHE 20 HD1 PHE 20 1.994 -3.310 -7.284
116 HE1 PHE 20 HE2 PHE 20 -0.664 -2.474 -3.230
117 HE2 PHE 20 HE1 PHE 20 -0.231 -2.275 -7.466
118 HZ PHE 20 HZ PHE 20 -1.564 -1.857 -5.438
119 H SER 21 H SER 21 5.002 -5.836 -6.618
120 HA SER 21 HA SER 21 6.845 -7.422 -5.015
121 HB2 SER 21 1HB SER 21 8.058 -7.782 -7.094
122 HB3 SER 21 2HB SER 21 6.341 -8.080 -7.359
123 HG SER 21 HG SER 21 7.605 -5.607 -7.922
124 H SER 22 H SER 22 6.634 -4.264 -6.546
125 HA SER 22 HA SER 22 9.207 -3.541 -5.305
126 HB2 SER 22 1HB SER 22 9.494 -3.236 -7.621
127 HB3 SER 22 2HB SER 22 7.869 -2.582 -7.826
128 HG SER 22 HG SER 22 9.782 -1.259 -6.232
129 H LYS 23 H LYS 23 9.343 -1.722 -4.049
130 HA LYS 23 HA LYS 23 7.084 -0.900 -2.628
131 HB2 LYS 23 1HB LYS 23 9.638 -0.690 -2.091
132 HB3 LYS 23 2HB LYS 23 9.486 0.875 -2.878
133 HG2 LYS 23 1HG LYS 23 8.021 1.684 -1.252
134 HG3 LYS 23 2HG LYS 23 7.653 0.066 -0.650
135 HD2 LYS 23 1HD LYS 23 9.996 -0.121 0.139
136 HD3 LYS 23 2HD LYS 23 10.267 1.548 -0.369
137 HE2 LYS 23 1HE LYS 23 8.213 2.062 1.135
138 HE3 LYS 23 2HE LYS 23 8.566 0.494 1.857
139 HZ1 LYS 23 3HZ LYS 23 10.987 1.692 1.805
140 HZ2 LYS 23 1HZ LYS 23 9.958 1.639 3.147
141 HZ3 LYS 23 2HZ LYS 23 9.959 2.994 2.135
142 H SER 24 H SER 24 8.948 0.935 -5.054
143 HA SER 24 HA SER 24 7.613 3.251 -5.238
144 HB2 SER 24 1HB SER 24 8.418 1.538 -7.602
145 HB3 SER 24 2HB SER 24 8.065 3.264 -7.674
146 HG SER 24 HG SER 24 10.331 2.737 -7.477
147 H TYR 25 H TYR 25 6.547 0.278 -6.885
148 HA TYR 25 HA TYR 25 4.179 1.327 -7.953
149 HB2 TYR 25 1HB TYR 25 5.237 -1.401 -7.416
150 HB3 TYR 25 2HB TYR 25 3.508 -1.251 -7.709
151 HD1 TYR 25 HD1 TYR 25 2.888 0.213 -9.834
152 HD2 TYR 25 HD2 TYR 25 6.626 -1.729 -9.231
153 HE1 TYR 25 HE1 TYR 25 3.298 0.264 -12.259
154 HE2 TYR 25 HE2 TYR 25 7.047 -1.682 -11.654
155 HH TYR 25 HH TYR 25 5.603 0.224 -13.736
156 H LEU 26 H LEU 26 4.832 -0.269 -4.866
157 HA LEU 26 HA LEU 26 2.192 -0.480 -3.961
158 HB2 LEU 26 1HB LEU 26 3.865 -1.683 -2.811
159 HB3 LEU 26 2HB LEU 26 4.818 -0.228 -2.524
160 HG LEU 26 HG LEU 26 3.060 0.558 -0.961
161 HD11 LEU 26 1HD1 LEU 26 1.048 -0.379 -1.222
162 HD12 LEU 26 2HD1 LEU 26 1.691 -1.698 -0.244
163 HD13 LEU 26 3HD1 LEU 26 1.712 -1.813 -2.004
164 HD21 LEU 26 3HD2 LEU 26 4.237 -2.151 -0.343
165 HD22 LEU 26 1HD2 LEU 26 3.621 -0.999 0.842
166 HD23 LEU 26 2HD2 LEU 26 5.038 -0.594 -0.127
167 H LEU 27 H LEU 27 4.574 2.116 -3.536
168 HA LEU 27 HA LEU 27 3.123 3.780 -1.860
169 HB2 LEU 27 1HB LEU 27 5.095 4.414 -4.039
170 HB3 LEU 27 2HB LEU 27 4.431 5.642 -2.964
171 HG LEU 27 HG LEU 27 6.062 3.262 -2.079
172 HD11 LEU 27 1HD1 LEU 27 7.924 4.632 -1.940
173 HD12 LEU 27 2HD1 LEU 27 6.968 6.112 -2.006
174 HD13 LEU 27 3HD1 LEU 27 7.184 5.138 -3.459
175 HD21 LEU 27 3HD2 LEU 27 5.103 3.722 -0.112
176 HD22 LEU 27 1HD2 LEU 27 4.468 5.267 -0.677
177 HD23 LEU 27 2HD2 LEU 27 6.132 5.156 -0.101
178 H VAL 28 H VAL 28 3.353 4.074 -5.411
179 HA VAL 28 HA VAL 28 1.486 6.046 -5.810
180 HB VAL 28 HB VAL 28 1.977 3.643 -7.574
181 HG11 VAL 28 1HG1 VAL 28 -0.151 5.045 -7.938
182 HG12 VAL 28 2HG1 VAL 28 0.951 6.303 -8.500
183 HG13 VAL 28 3HG1 VAL 28 0.900 4.743 -9.322
184 HG21 VAL 28 3HG2 VAL 28 3.840 5.402 -6.853
185 HG22 VAL 28 1HG2 VAL 28 3.764 4.721 -8.478
186 HG23 VAL 28 2HG2 VAL 28 3.100 6.324 -8.162
187 H HIS 29 H HIS 29 0.946 2.641 -5.172
188 HA HIS 29 HA HIS 29 -1.823 2.625 -5.816
189 HB2 HIS 29 1HB HIS 29 -0.765 0.516 -5.806
190 HB3 HIS 29 2HB HIS 29 -0.050 0.788 -4.220
191 HD1 HIS 29 HD1 HIS 29 -3.575 0.510 -5.646
192 HD2 HIS 29 HD2 HIS 29 -1.372 -0.546 -2.286
193 HE1 HIS 29 HE1 HIS 29 -5.158 -0.787 -4.184
194 H GLN 30 H GLN 30 -0.059 2.843 -2.735
195 HA GLN 30 HA GLN 30 -2.445 3.200 -1.194
196 HB2 GLN 30 1HB GLN 30 0.477 3.572 -0.532
197 HB3 GLN 30 2HB GLN 30 -0.816 3.795 0.638
198 HG2 GLN 30 1HG GLN 30 -1.518 1.433 0.161
199 HG3 GLN 30 2HG GLN 30 -0.033 1.261 -0.773
200 HE21 GLN 30 1HE2 GLN 30 0.638 -0.378 0.659
201 HE22 GLN 30 2HE2 GLN 30 1.273 0.002 2.220
202 H GLN 31 H GLN 31 -0.585 5.238 -3.142
203 HA GLN 31 HA GLN 31 -0.616 7.679 -1.839
204 HB2 GLN 31 1HB GLN 31 -0.075 8.615 -3.858
205 HB3 GLN 31 2HB GLN 31 0.281 6.930 -4.212
206 HG2 GLN 31 1HG GLN 31 -2.071 6.771 -5.132
207 HG3 GLN 31 2HG GLN 31 -2.122 8.530 -5.028
208 HE21 GLN 31 1HE2 GLN 31 0.280 9.330 -5.844
209 HE22 GLN 31 2HE2 GLN 31 0.593 8.827 -7.467
210 H THR 32 H THR 32 -3.206 6.005 -3.507
211 HA THR 32 HA THR 32 -5.014 8.252 -3.355
212 HB THR 32 HB THR 32 -5.411 6.886 -5.226
213 HG1 THR 32 HG1 THR 32 -7.343 7.433 -4.062
214 HG21 THR 32 3HG2 THR 32 -5.889 4.417 -4.960
215 HG22 THR 32 1HG2 THR 32 -5.273 4.560 -3.314
216 HG23 THR 32 2HG2 THR 32 -4.217 4.904 -4.684
217 H HIS 33 H HIS 33 -4.296 5.387 -1.499
218 HA HIS 33 HA HIS 33 -6.642 5.204 0.020
219 HB2 HIS 33 1HB HIS 33 -3.832 4.285 0.344
220 HB3 HIS 33 2HB HIS 33 -4.850 4.287 1.780
221 HD1 HIS 33 HD1 HIS 33 -7.334 3.049 1.207
222 HD2 HIS 33 HD2 HIS 33 -3.964 1.926 -0.947
223 HE1 HIS 33 HE1 HIS 33 -7.870 0.785 0.251
224 H ALA 34 H ALA 34 -3.741 7.160 0.447
225 HA ALA 34 HA ALA 34 -4.595 8.210 2.989
226 HB1 ALA 34 3HB ALA 34 -2.623 9.892 2.200
227 HB2 ALA 34 1HB ALA 34 -2.354 8.354 3.022
228 HB3 ALA 34 2HB ALA 34 -2.229 8.449 1.265
229 H GLU 35 H GLU 35 -6.043 8.604 0.241
230 HA GLU 35 HA GLU 35 -6.809 11.357 0.811
231 HB2 GLU 35 1HB GLU 35 -5.471 10.439 -1.682
232 HB3 GLU 35 2HB GLU 35 -6.797 11.580 -1.852
233 HG2 GLU 35 1HG GLU 35 -4.572 12.118 0.068
234 HG3 GLU 35 2HG GLU 35 -4.383 12.463 -1.650
235 H GLU 36 H GLU 36 -8.945 11.424 0.934
236 HA GLU 36 HA GLU 36 -10.505 9.434 -0.573
237 HB2 GLU 36 1HB GLU 36 -12.249 9.709 1.105
238 HB3 GLU 36 2HB GLU 36 -10.725 9.284 1.871
239 HG2 GLU 36 1HG GLU 36 -10.471 11.347 2.836
240 HG3 GLU 36 2HG GLU 36 -11.458 12.157 1.620
241 H LYS 37 H LYS 37 -9.595 11.773 -1.848
242 HA LYS 37 HA LYS 37 -12.137 13.210 -2.250
243 HB2 LYS 37 1HB LYS 37 -9.353 14.222 -1.976
244 HB3 LYS 37 2HB LYS 37 -10.394 15.029 -3.142
245 HG2 LYS 37 1HG LYS 37 -10.619 16.249 -1.156
246 HG3 LYS 37 2HG LYS 37 -12.078 15.260 -1.259
247 HD2 LYS 37 1HD LYS 37 -10.648 13.568 0.151
248 HD3 LYS 37 2HD LYS 37 -9.739 15.019 0.580
249 HE2 LYS 37 1HE LYS 37 -11.401 14.738 2.248
250 HE3 LYS 37 2HE LYS 37 -11.933 16.070 1.224
251 HZ1 LYS 37 3HZ LYS 37 -12.936 13.280 1.212
252 HZ2 LYS 37 1HZ LYS 37 -13.319 14.408 0.011
253 HZ3 LYS 37 2HZ LYS 37 -13.794 14.682 1.611
254 HA PRO 38 HA PRO 38 -11.939 11.862 -6.436
255 HB2 PRO 38 1HB PRO 38 -13.494 13.770 -7.581
256 HB3 PRO 38 2HB PRO 38 -14.150 12.469 -6.580
257 HG2 PRO 38 1HG PRO 38 -13.554 15.309 -5.844
258 HG3 PRO 38 2HG PRO 38 -14.964 14.318 -5.427
259 HD2 PRO 38 1HD PRO 38 -12.924 14.750 -3.699
260 HD3 PRO 38 2HD PRO 38 -13.857 13.239 -3.717
261 H SER 39 H SER 39 -11.806 13.099 -8.722
262 HA SER 39 HA SER 39 -9.590 15.031 -8.526
263 HB2 SER 39 1HB SER 39 -8.949 12.657 -9.244
264 HB3 SER 39 2HB SER 39 -9.832 12.990 -10.735
265 HG SER 39 HG SER 39 -8.430 14.750 -11.090
266 H GLY 40 H GLY 40 -9.873 16.877 -9.604
267 HA2 GLY 40 1HA GLY 40 -10.985 18.495 -10.813
268 HA3 GLY 40 2HA GLY 40 -10.889 17.304 -12.101
269 HA PRO 41 HA PRO 41 -15.360 18.185 -11.441
270 HB2 PRO 41 1HB PRO 41 -15.982 18.131 -14.083
271 HB3 PRO 41 2HB PRO 41 -15.379 19.579 -13.267
272 HG2 PRO 41 1HG PRO 41 -13.897 17.601 -14.957
273 HG3 PRO 41 2HG PRO 41 -13.789 19.371 -14.952
274 HD2 PRO 41 1HD PRO 41 -11.969 17.796 -13.710
275 HD3 PRO 41 2HD PRO 41 -12.409 19.407 -13.106
276 H SER 42 H SER 42 -17.265 16.935 -12.432
277 HA SER 42 HA SER 42 -16.858 14.172 -11.942
278 HB2 SER 42 1HB SER 42 -19.214 13.913 -12.420
279 HB3 SER 42 2HB SER 42 -18.993 15.401 -11.499
280 HG SER 42 HG SER 42 -18.814 15.817 -14.180
281 H SER 43 H SER 43 -15.773 12.906 -13.299
282 HA SER 43 HA SER 43 -16.694 12.607 -16.018
283 HB2 SER 43 1HB SER 43 -13.814 13.398 -15.522
284 HB3 SER 43 2HB SER 43 -14.544 13.022 -17.083
285 HG SER 43 HG SER 43 -14.396 15.293 -16.642
286 H GLY 44 H GLY 44 -16.778 10.496 -16.378
287 HA2 GLY 44 1HA GLY 44 -14.922 8.604 -16.446
288 HA3 GLY 44 2HA GLY 44 -15.195 8.698 -14.712
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -3.342 -24.592 -9.756
2 HA2 GLY 1 1HA GLY 1 -4.465 -23.592 -11.931
3 HA3 GLY 1 2HA GLY 1 -5.554 -22.942 -10.715
4 H SER 2 H SER 2 -4.800 -21.368 -9.261
5 HA SER 2 HA SER 2 -3.700 -19.430 -8.779
6 HB2 SER 2 1HB SER 2 -2.125 -21.106 -7.833
7 HB3 SER 2 2HB SER 2 -1.248 -21.108 -9.363
8 HG SER 2 HG SER 2 -1.602 -18.911 -7.602
9 H SER 3 H SER 3 -4.624 -19.526 -11.392
10 HA SER 3 HA SER 3 -2.466 -18.495 -13.069
11 HB2 SER 3 1HB SER 3 -5.367 -18.977 -13.786
12 HB3 SER 3 2HB SER 3 -4.049 -18.639 -14.907
13 HG SER 3 HG SER 3 -4.574 -20.892 -14.724
14 H GLY 4 H GLY 4 -2.007 -16.407 -12.827
15 HA2 GLY 4 1HA GLY 4 -3.787 -14.357 -13.467
16 HA3 GLY 4 2HA GLY 4 -3.771 -14.497 -11.715
17 H SER 5 H SER 5 -2.147 -13.583 -10.590
18 HA SER 5 HA SER 5 -0.301 -11.905 -12.035
19 HB2 SER 5 1HB SER 5 -0.705 -12.360 -9.070
20 HB3 SER 5 2HB SER 5 0.408 -11.175 -9.753
21 HG SER 5 HG SER 5 -1.317 -9.952 -9.618
22 H SER 6 H SER 6 1.948 -12.008 -11.981
23 HA SER 6 HA SER 6 3.083 -14.554 -11.026
24 HB2 SER 6 1HB SER 6 2.929 -14.684 -13.438
25 HB3 SER 6 2HB SER 6 3.691 -13.103 -13.612
26 HG SER 6 HG SER 6 5.584 -14.008 -12.691
27 H GLY 7 H GLY 7 4.181 -13.934 -9.253
28 HA2 GLY 7 1HA GLY 7 6.648 -12.831 -9.262
29 HA3 GLY 7 2HA GLY 7 5.605 -11.420 -9.161
30 H GLU 8 H GLU 8 7.546 -12.517 -7.226
31 HA GLU 8 HA GLU 8 6.334 -13.814 -5.085
32 HB2 GLU 8 1HB GLU 8 8.684 -11.991 -5.358
33 HB3 GLU 8 2HB GLU 8 8.114 -12.392 -3.744
34 HG2 GLU 8 1HG GLU 8 8.236 -14.843 -4.607
35 HG3 GLU 8 2HG GLU 8 9.318 -14.159 -5.819
36 H LYS 9 H LYS 9 6.888 -10.306 -5.434
37 HA LYS 9 HA LYS 9 5.786 -8.501 -4.598
38 HB2 LYS 9 1HB LYS 9 3.502 -10.474 -4.423
39 HB3 LYS 9 2HB LYS 9 3.340 -8.738 -4.195
40 HG2 LYS 9 1HG LYS 9 3.580 -8.280 -6.413
41 HG3 LYS 9 2HG LYS 9 4.592 -9.696 -6.709
42 HD2 LYS 9 1HD LYS 9 2.653 -10.354 -7.739
43 HD3 LYS 9 2HD LYS 9 2.376 -10.989 -6.115
44 HE2 LYS 9 1HE LYS 9 1.470 -8.231 -6.843
45 HE3 LYS 9 2HE LYS 9 0.504 -9.634 -7.296
46 HZ1 LYS 9 3HZ LYS 9 1.389 -9.551 -4.533
47 HZ2 LYS 9 1HZ LYS 9 -0.107 -10.006 -5.179
48 HZ3 LYS 9 2HZ LYS 9 0.261 -8.369 -4.971
49 HA PRO 10 HA PRO 10 6.392 -10.353 -0.291
50 HB2 PRO 10 1HB PRO 10 8.814 -9.229 0.203
51 HB3 PRO 10 2HB PRO 10 8.627 -10.813 -0.558
52 HG2 PRO 10 1HG PRO 10 9.159 -8.154 -1.825
53 HG3 PRO 10 2HG PRO 10 9.890 -9.729 -2.182
54 HD2 PRO 10 1HD PRO 10 7.918 -8.662 -3.699
55 HD3 PRO 10 2HD PRO 10 8.099 -10.412 -3.462
56 H PHE 11 H PHE 11 5.933 -7.446 -1.811
57 HA PHE 11 HA PHE 11 5.993 -5.907 0.693
58 HB2 PHE 11 1HB PHE 11 6.005 -5.041 -2.198
59 HB3 PHE 11 2HB PHE 11 5.737 -3.918 -0.869
60 HD1 PHE 11 HD1 PHE 11 8.168 -6.428 -2.134
61 HD2 PHE 11 HD2 PHE 11 7.538 -2.917 0.188
62 HE1 PHE 11 HE1 PHE 11 10.600 -6.172 -1.868
63 HE2 PHE 11 HE2 PHE 11 9.970 -2.655 0.458
64 HZ PHE 11 HZ PHE 11 11.504 -4.284 -0.571
65 H GLY 12 H GLY 12 4.114 -5.797 1.721
66 HA2 GLY 12 1HA GLY 12 1.648 -5.663 0.096
67 HA3 GLY 12 2HA GLY 12 1.740 -6.528 1.624
68 H CYS 13 H CYS 13 0.301 -4.011 0.435
69 HA CYS 13 HA CYS 13 0.993 -1.717 1.766
70 HB2 CYS 13 1HB CYS 13 -0.850 -1.889 0.124
71 HB3 CYS 13 2HB CYS 13 -1.825 -2.726 1.327
72 H SER 14 H SER 14 0.132 -0.705 3.698
73 HA SER 14 HA SER 14 -0.006 -2.615 5.902
74 HB2 SER 14 1HB SER 14 1.620 -0.760 6.042
75 HB3 SER 14 2HB SER 14 0.292 0.399 5.959
76 HG SER 14 HG SER 14 -0.152 0.032 7.988
77 H CYS 15 H CYS 15 -1.853 0.027 4.466
78 HA CYS 15 HA CYS 15 -3.937 -0.025 6.411
79 HB2 CYS 15 1HB CYS 15 -3.288 1.874 4.775
80 HB3 CYS 15 2HB CYS 15 -4.271 1.003 3.605
81 HG CYS 15 HG CYS 15 -6.503 1.062 5.538
82 H CYS 16 H CYS 16 -3.545 -1.406 3.173
83 HA CYS 16 HA CYS 16 -5.949 -3.039 3.664
84 HB2 CYS 16 1HB CYS 16 -6.265 -3.154 1.251
85 HB3 CYS 16 2HB CYS 16 -6.197 -1.473 1.770
86 H GLU 17 H GLU 17 -5.752 -4.996 1.887
87 HA GLU 17 HA GLU 17 -3.337 -6.422 2.738
88 HB2 GLU 17 1HB GLU 17 -6.090 -7.253 1.954
89 HB3 GLU 17 2HB GLU 17 -4.773 -8.378 1.658
90 HG2 GLU 17 1HG GLU 17 -5.354 -7.138 4.334
91 HG3 GLU 17 2HG GLU 17 -5.958 -8.711 3.817
92 H LYS 18 H LYS 18 -3.369 -4.456 0.557
93 HA LYS 18 HA LYS 18 -3.208 -5.914 -1.911
94 HB2 LYS 18 1HB LYS 18 -2.497 -3.096 -1.115
95 HB3 LYS 18 2HB LYS 18 -2.187 -3.717 -2.731
96 HG2 LYS 18 1HG LYS 18 -4.927 -4.011 -1.628
97 HG3 LYS 18 2HG LYS 18 -4.397 -2.407 -2.140
98 HD2 LYS 18 1HD LYS 18 -3.704 -3.484 -4.326
99 HD3 LYS 18 2HD LYS 18 -4.579 -4.920 -3.789
100 HE2 LYS 18 1HE LYS 18 -5.815 -2.178 -3.979
101 HE3 LYS 18 2HE LYS 18 -5.876 -3.369 -5.278
102 HZ1 LYS 18 3HZ LYS 18 -6.987 -3.707 -2.545
103 HZ2 LYS 18 1HZ LYS 18 -7.005 -4.889 -3.755
104 HZ3 LYS 18 2HZ LYS 18 -7.878 -3.456 -3.960
105 H ALA 19 H ALA 19 -1.232 -5.940 -3.249
106 HA ALA 19 HA ALA 19 1.305 -5.783 -1.859
107 HB1 ALA 19 3HB ALA 19 1.921 -8.028 -1.976
108 HB2 ALA 19 1HB ALA 19 0.253 -8.081 -1.405
109 HB3 ALA 19 2HB ALA 19 0.618 -8.426 -3.096
110 H PHE 20 H PHE 20 3.061 -5.616 -3.236
111 HA PHE 20 HA PHE 20 2.564 -5.845 -6.114
112 HB2 PHE 20 1HB PHE 20 3.847 -3.420 -4.839
113 HB3 PHE 20 2HB PHE 20 3.564 -3.673 -6.558
114 HD1 PHE 20 HD2 PHE 20 1.829 -3.281 -3.305
115 HD2 PHE 20 HD1 PHE 20 1.560 -3.010 -7.544
116 HE1 PHE 20 HE2 PHE 20 -0.375 -2.209 -3.093
117 HE2 PHE 20 HE1 PHE 20 -0.645 -1.937 -7.339
118 HZ PHE 20 HZ PHE 20 -1.616 -1.537 -5.111
119 H SER 21 H SER 21 4.457 -6.095 -7.391
120 HA SER 21 HA SER 21 6.388 -7.783 -6.364
121 HB2 SER 21 1HB SER 21 5.873 -7.453 -8.791
122 HB3 SER 21 2HB SER 21 6.767 -5.934 -8.731
123 HG SER 21 HG SER 21 8.627 -7.020 -8.444
124 H SER 22 H SER 22 6.622 -4.284 -6.939
125 HA SER 22 HA SER 22 8.941 -4.236 -5.121
126 HB2 SER 22 1HB SER 22 9.524 -3.774 -7.521
127 HB3 SER 22 2HB SER 22 8.487 -2.350 -7.443
128 HG SER 22 HG SER 22 10.915 -2.242 -6.939
129 H LYS 23 H LYS 23 9.111 -2.482 -3.705
130 HA LYS 23 HA LYS 23 6.741 -1.532 -2.593
131 HB2 LYS 23 1HB LYS 23 8.163 0.007 -1.299
132 HB3 LYS 23 2HB LYS 23 8.822 -1.623 -1.332
133 HG2 LYS 23 1HG LYS 23 10.645 -1.014 -2.524
134 HG3 LYS 23 2HG LYS 23 9.780 0.239 -3.418
135 HD2 LYS 23 1HD LYS 23 11.145 1.518 -2.079
136 HD3 LYS 23 2HD LYS 23 9.694 1.418 -1.079
137 HE2 LYS 23 1HE LYS 23 11.654 1.009 0.277
138 HE3 LYS 23 2HE LYS 23 10.701 -0.468 0.146
139 HZ1 LYS 23 3HZ LYS 23 13.326 -0.364 -0.272
140 HZ2 LYS 23 1HZ LYS 23 12.775 -0.129 -1.854
141 HZ3 LYS 23 2HZ LYS 23 12.314 -1.511 -0.995
142 H SER 24 H SER 24 8.816 -0.154 -5.060
143 HA SER 24 HA SER 24 7.998 2.468 -5.123
144 HB2 SER 24 1HB SER 24 9.661 1.109 -6.653
145 HB3 SER 24 2HB SER 24 8.261 0.999 -7.719
146 HG SER 24 HG SER 24 8.171 3.403 -7.332
147 H TYR 25 H TYR 25 6.424 -0.309 -6.682
148 HA TYR 25 HA TYR 25 4.296 1.201 -7.800
149 HB2 TYR 25 1HB TYR 25 4.893 -1.693 -7.422
150 HB3 TYR 25 2HB TYR 25 3.226 -1.237 -7.756
151 HD1 TYR 25 HD1 TYR 25 3.261 0.778 -9.711
152 HD2 TYR 25 HD2 TYR 25 5.963 -2.482 -9.299
153 HE1 TYR 25 HE1 TYR 25 3.774 0.907 -12.113
154 HE2 TYR 25 HE2 TYR 25 6.484 -2.362 -11.699
155 HH TYR 25 HH TYR 25 5.074 -1.413 -13.842
156 H LEU 26 H LEU 26 4.697 -0.595 -4.793
157 HA LEU 26 HA LEU 26 2.023 -0.471 -3.923
158 HB2 LEU 26 1HB LEU 26 3.529 -2.001 -2.888
159 HB3 LEU 26 2HB LEU 26 4.619 -0.698 -2.419
160 HG LEU 26 HG LEU 26 2.900 0.127 -0.845
161 HD11 LEU 26 1HD1 LEU 26 0.956 -1.181 -0.341
162 HD12 LEU 26 2HD1 LEU 26 1.432 -2.422 -1.499
163 HD13 LEU 26 3HD1 LEU 26 0.957 -0.822 -2.068
164 HD21 LEU 26 3HD2 LEU 26 3.015 -2.500 0.235
165 HD22 LEU 26 1HD2 LEU 26 3.995 -1.093 0.647
166 HD23 LEU 26 2HD2 LEU 26 4.520 -2.188 -0.632
167 H LEU 27 H LEU 27 4.754 1.727 -3.498
168 HA LEU 27 HA LEU 27 3.683 3.472 -1.630
169 HB2 LEU 27 1HB LEU 27 5.502 4.026 -3.966
170 HB3 LEU 27 2HB LEU 27 5.151 5.195 -2.695
171 HG LEU 27 HG LEU 27 6.430 2.515 -2.182
172 HD11 LEU 27 1HD1 LEU 27 8.549 3.722 -2.032
173 HD12 LEU 27 2HD1 LEU 27 7.748 5.201 -2.559
174 HD13 LEU 27 3HD1 LEU 27 7.864 3.823 -3.654
175 HD21 LEU 27 3HD2 LEU 27 6.226 5.023 -0.517
176 HD22 LEU 27 1HD2 LEU 27 7.065 3.541 -0.060
177 HD23 LEU 27 2HD2 LEU 27 5.313 3.535 -0.264
178 H VAL 28 H VAL 28 3.608 3.859 -5.178
179 HA VAL 28 HA VAL 28 1.979 6.097 -5.288
180 HB VAL 28 HB VAL 28 2.084 3.808 -7.258
181 HG11 VAL 28 1HG1 VAL 28 1.368 6.620 -7.969
182 HG12 VAL 28 2HG1 VAL 28 0.985 5.117 -8.809
183 HG13 VAL 28 3HG1 VAL 28 0.136 5.538 -7.322
184 HG21 VAL 28 3HG2 VAL 28 3.866 4.856 -8.298
185 HG22 VAL 28 1HG2 VAL 28 3.508 6.419 -7.563
186 HG23 VAL 28 2HG2 VAL 28 4.221 5.131 -6.593
187 H HIS 29 H HIS 29 1.098 2.694 -5.018
188 HA HIS 29 HA HIS 29 -1.647 2.908 -5.476
189 HB2 HIS 29 1HB HIS 29 -0.949 0.712 -5.395
190 HB3 HIS 29 2HB HIS 29 0.092 0.981 -4.001
191 HD1 HIS 29 HD1 HIS 29 -3.421 0.151 -4.944
192 HD2 HIS 29 HD2 HIS 29 -1.167 0.736 -1.504
193 HE1 HIS 29 HE1 HIS 29 -4.850 -0.691 -3.053
194 H GLN 30 H GLN 30 0.142 3.071 -2.404
195 HA GLN 30 HA GLN 30 -1.860 3.330 -0.591
196 HB2 GLN 30 1HB GLN 30 0.863 4.501 -0.794
197 HB3 GLN 30 2HB GLN 30 -0.209 5.177 0.425
198 HG2 GLN 30 1HG GLN 30 -0.213 3.284 1.680
199 HG3 GLN 30 2HG GLN 30 0.026 2.228 0.289
200 HE21 GLN 30 1HE2 GLN 30 2.087 1.791 -0.423
201 HE22 GLN 30 2HE2 GLN 30 3.499 2.199 0.485
202 H GLN 31 H GLN 31 -0.773 5.772 -2.873
203 HA GLN 31 HA GLN 31 -1.830 8.089 -2.002
204 HB2 GLN 31 1HB GLN 31 -2.000 6.917 -4.777
205 HB3 GLN 31 2HB GLN 31 -2.446 8.578 -4.410
206 HG2 GLN 31 1HG GLN 31 -0.260 9.187 -3.906
207 HG3 GLN 31 2HG GLN 31 0.252 7.515 -3.679
208 HE21 GLN 31 1HE2 GLN 31 1.830 8.973 -5.197
209 HE22 GLN 31 2HE2 GLN 31 1.647 8.595 -6.873
210 H THR 32 H THR 32 -3.676 5.418 -3.405
211 HA THR 32 HA THR 32 -6.159 6.473 -3.714
212 HB THR 32 HB THR 32 -7.097 4.261 -3.038
213 HG1 THR 32 HG1 THR 32 -4.405 3.865 -2.227
214 HG21 THR 32 3HG2 THR 32 -5.105 4.776 -5.085
215 HG22 THR 32 1HG2 THR 32 -6.619 3.877 -5.189
216 HG23 THR 32 2HG2 THR 32 -5.153 3.074 -4.625
217 H HIS 33 H HIS 33 -4.710 5.427 -0.652
218 HA HIS 33 HA HIS 33 -7.023 6.067 0.905
219 HB2 HIS 33 1HB HIS 33 -4.178 5.697 1.861
220 HB3 HIS 33 2HB HIS 33 -5.644 5.577 2.831
221 HD1 HIS 33 HD1 HIS 33 -7.358 3.595 1.759
222 HD2 HIS 33 HD2 HIS 33 -3.260 3.264 1.162
223 HE1 HIS 33 HE1 HIS 33 -6.951 1.174 1.215
224 H ALA 34 H ALA 34 -3.991 7.696 0.131
225 HA ALA 34 HA ALA 34 -4.097 9.819 1.906
226 HB1 ALA 34 3HB ALA 34 -3.153 10.060 -0.942
227 HB2 ALA 34 1HB ALA 34 -2.597 10.962 0.468
228 HB3 ALA 34 2HB ALA 34 -2.229 9.243 0.319
229 H GLU 35 H GLU 35 -5.849 9.321 -1.093
230 HA GLU 35 HA GLU 35 -6.835 11.975 -1.339
231 HB2 GLU 35 1HB GLU 35 -6.730 10.130 -3.129
232 HB3 GLU 35 2HB GLU 35 -8.220 9.530 -2.415
233 HG2 GLU 35 1HG GLU 35 -8.980 12.030 -2.743
234 HG3 GLU 35 2HG GLU 35 -7.724 12.003 -3.979
235 H GLU 36 H GLU 36 -8.125 9.013 0.106
236 HA GLU 36 HA GLU 36 -10.539 10.384 0.963
237 HB2 GLU 36 1HB GLU 36 -11.313 8.252 1.709
238 HB3 GLU 36 2HB GLU 36 -10.548 8.010 0.145
239 HG2 GLU 36 1HG GLU 36 -8.462 7.356 1.438
240 HG3 GLU 36 2HG GLU 36 -9.503 7.284 2.860
241 H LYS 37 H LYS 37 -8.148 11.448 2.019
242 HA LYS 37 HA LYS 37 -7.216 10.633 4.430
243 HB2 LYS 37 1HB LYS 37 -6.838 12.965 5.001
244 HB3 LYS 37 2HB LYS 37 -6.508 12.703 3.293
245 HG2 LYS 37 1HG LYS 37 -9.164 13.723 4.237
246 HG3 LYS 37 2HG LYS 37 -7.796 14.804 3.958
247 HD2 LYS 37 1HD LYS 37 -7.678 13.572 1.652
248 HD3 LYS 37 2HD LYS 37 -9.361 13.173 2.005
249 HE2 LYS 37 1HE LYS 37 -8.233 15.968 2.035
250 HE3 LYS 37 2HE LYS 37 -9.057 15.248 0.654
251 HZ1 LYS 37 3HZ LYS 37 -11.071 15.310 1.704
252 HZ2 LYS 37 1HZ LYS 37 -10.357 16.693 2.368
253 HZ3 LYS 37 2HZ LYS 37 -10.407 15.257 3.259
254 HA PRO 38 HA PRO 38 -10.633 10.379 7.201
255 HB2 PRO 38 1HB PRO 38 -9.270 10.511 9.545
256 HB3 PRO 38 2HB PRO 38 -9.272 9.075 8.514
257 HG2 PRO 38 1HG PRO 38 -7.211 11.233 8.751
258 HG3 PRO 38 2HG PRO 38 -6.986 9.478 8.643
259 HD2 PRO 38 1HD PRO 38 -6.661 11.121 6.516
260 HD3 PRO 38 2HD PRO 38 -7.257 9.457 6.354
261 H SER 39 H SER 39 -11.697 11.577 8.931
262 HA SER 39 HA SER 39 -10.860 14.394 9.102
263 HB2 SER 39 1HB SER 39 -13.159 15.125 8.865
264 HB3 SER 39 2HB SER 39 -12.741 14.110 7.485
265 HG SER 39 HG SER 39 -13.668 12.420 9.158
266 H GLY 40 H GLY 40 -10.804 15.206 11.104
267 HA2 GLY 40 1HA GLY 40 -11.994 15.430 13.261
268 HA3 GLY 40 2HA GLY 40 -12.173 13.682 13.236
269 HA PRO 41 HA PRO 41 -8.133 15.199 15.324
270 HB2 PRO 41 1HB PRO 41 -8.929 15.214 17.920
271 HB3 PRO 41 2HB PRO 41 -9.015 16.641 16.880
272 HG2 PRO 41 1HG PRO 41 -11.178 14.713 17.634
273 HG3 PRO 41 2HG PRO 41 -11.240 16.483 17.537
274 HD2 PRO 41 1HD PRO 41 -12.211 14.881 15.581
275 HD3 PRO 41 2HD PRO 41 -11.501 16.473 15.246
276 H SER 42 H SER 42 -10.568 12.792 15.937
277 HA SER 42 HA SER 42 -8.874 11.074 17.499
278 HB2 SER 42 1HB SER 42 -11.430 11.167 17.580
279 HB3 SER 42 2HB SER 42 -11.403 10.246 16.076
280 HG SER 42 HG SER 42 -10.032 8.722 17.292
281 H SER 43 H SER 43 -7.350 9.778 16.740
282 HA SER 43 HA SER 43 -6.410 9.565 14.228
283 HB2 SER 43 1HB SER 43 -5.460 7.360 14.838
284 HB3 SER 43 2HB SER 43 -5.276 8.542 16.133
285 HG SER 43 HG SER 43 -7.314 7.582 16.962
286 H GLY 44 H GLY 44 -8.985 7.541 15.594
287 HA2 GLY 44 1HA GLY 44 -9.387 5.754 13.542
288 HA3 GLY 44 2HA GLY 44 -10.678 6.382 14.556
Start of MODEL 18
1 H1 GLY 1 H GLY 1 3.872 -28.730 3.440
2 HA2 GLY 1 1HA GLY 1 1.868 -27.131 2.932
3 HA3 GLY 1 2HA GLY 1 2.464 -26.336 4.381
4 H SER 2 H SER 2 3.446 -27.390 1.142
5 HA SER 2 HA SER 2 5.626 -25.445 1.162
6 HB2 SER 2 1HB SER 2 4.927 -27.815 -0.517
7 HB3 SER 2 2HB SER 2 5.913 -26.542 -1.237
8 HG SER 2 HG SER 2 7.264 -26.792 0.712
9 H SER 3 H SER 3 5.344 -23.474 0.382
10 HA SER 3 HA SER 3 3.937 -22.961 -2.046
11 HB2 SER 3 1HB SER 3 2.074 -21.742 -1.261
12 HB3 SER 3 2HB SER 3 2.102 -23.192 -0.259
13 HG SER 3 HG SER 3 2.692 -22.032 1.441
14 H GLY 4 H GLY 4 4.601 -21.079 -2.960
15 HA2 GLY 4 1HA GLY 4 5.426 -18.767 -1.631
16 HA3 GLY 4 2HA GLY 4 6.854 -19.760 -1.880
17 H SER 5 H SER 5 5.801 -20.870 -4.398
18 HA SER 5 HA SER 5 6.677 -18.701 -6.113
19 HB2 SER 5 1HB SER 5 6.038 -21.603 -6.678
20 HB3 SER 5 2HB SER 5 6.579 -20.459 -7.906
21 HG SER 5 HG SER 5 8.454 -21.247 -7.255
22 H SER 6 H SER 6 4.265 -18.070 -4.983
23 HA SER 6 HA SER 6 2.478 -18.164 -7.316
24 HB2 SER 6 1HB SER 6 1.866 -19.665 -5.226
25 HB3 SER 6 2HB SER 6 1.285 -18.134 -4.573
26 HG SER 6 HG SER 6 -0.186 -19.560 -5.921
27 H GLY 7 H GLY 7 3.398 -16.074 -7.787
28 HA2 GLY 7 1HA GLY 7 3.107 -13.789 -7.900
29 HA3 GLY 7 2HA GLY 7 1.829 -13.944 -6.704
30 H GLU 8 H GLU 8 5.317 -13.693 -7.143
31 HA GLU 8 HA GLU 8 5.942 -13.452 -4.384
32 HB2 GLU 8 1HB GLU 8 7.677 -14.106 -5.899
33 HB3 GLU 8 2HB GLU 8 7.446 -12.665 -6.878
34 HG2 GLU 8 1HG GLU 8 9.463 -12.614 -5.434
35 HG3 GLU 8 2HG GLU 8 8.354 -11.269 -5.180
36 H LYS 9 H LYS 9 5.057 -11.881 -3.197
37 HA LYS 9 HA LYS 9 5.392 -9.113 -4.122
38 HB2 LYS 9 1HB LYS 9 2.915 -10.131 -2.721
39 HB3 LYS 9 2HB LYS 9 3.193 -8.501 -3.322
40 HG2 LYS 9 1HG LYS 9 3.079 -10.940 -5.080
41 HG3 LYS 9 2HG LYS 9 1.698 -9.894 -4.743
42 HD2 LYS 9 1HD LYS 9 3.105 -7.977 -5.605
43 HD3 LYS 9 2HD LYS 9 4.253 -9.191 -6.173
44 HE2 LYS 9 1HE LYS 9 1.364 -9.401 -6.911
45 HE3 LYS 9 2HE LYS 9 2.412 -8.281 -7.779
46 HZ1 LYS 9 3HZ LYS 9 2.181 -11.071 -8.087
47 HZ2 LYS 9 1HZ LYS 9 3.763 -10.702 -7.617
48 HZ3 LYS 9 2HZ LYS 9 3.100 -9.980 -8.995
49 HA PRO 10 HA PRO 10 7.178 -9.659 0.094
50 HB2 PRO 10 1HB PRO 10 9.316 -8.052 -0.372
51 HB3 PRO 10 2HB PRO 10 9.294 -9.769 -0.794
52 HG2 PRO 10 1HG PRO 10 8.827 -7.382 -2.540
53 HG3 PRO 10 2HG PRO 10 9.771 -8.845 -2.875
54 HD2 PRO 10 1HD PRO 10 7.264 -8.479 -3.830
55 HD3 PRO 10 2HD PRO 10 7.901 -10.082 -3.409
56 H PHE 11 H PHE 11 5.695 -7.238 -1.635
57 HA PHE 11 HA PHE 11 5.838 -5.394 0.657
58 HB2 PHE 11 1HB PHE 11 5.394 -4.506 -2.191
59 HB3 PHE 11 2HB PHE 11 5.772 -3.509 -0.790
60 HD1 PHE 11 HD2 PHE 11 8.049 -4.536 0.436
61 HD2 PHE 11 HD1 PHE 11 7.094 -4.582 -3.712
62 HE1 PHE 11 HE2 PHE 11 10.444 -4.678 -0.110
63 HE2 PHE 11 HE1 PHE 11 9.488 -4.725 -4.265
64 HZ PHE 11 HZ PHE 11 11.166 -4.772 -2.463
65 H GLY 12 H GLY 12 3.964 -5.915 1.676
66 HA2 GLY 12 1HA GLY 12 1.491 -5.785 0.065
67 HA3 GLY 12 2HA GLY 12 1.670 -6.774 1.506
68 H CYS 13 H CYS 13 0.218 -4.101 0.408
69 HA CYS 13 HA CYS 13 0.682 -2.019 2.124
70 HB2 CYS 13 1HB CYS 13 -0.957 -2.028 0.238
71 HB3 CYS 13 2HB CYS 13 -2.062 -2.947 1.254
72 H SER 14 H SER 14 -0.618 -1.276 3.999
73 HA SER 14 HA SER 14 -1.010 -3.505 5.874
74 HB2 SER 14 1HB SER 14 -0.687 -1.814 7.652
75 HB3 SER 14 2HB SER 14 0.692 -1.888 6.555
76 HG SER 14 HG SER 14 -0.173 -0.048 5.490
77 H CYS 15 H CYS 15 -2.515 -0.611 4.570
78 HA CYS 15 HA CYS 15 -4.812 -0.707 6.263
79 HB2 CYS 15 1HB CYS 15 -3.882 1.309 4.958
80 HB3 CYS 15 2HB CYS 15 -4.715 0.628 3.565
81 HG CYS 15 HG CYS 15 -5.921 2.440 6.045
82 H CYS 16 H CYS 16 -4.131 -1.754 2.946
83 HA CYS 16 HA CYS 16 -6.716 -3.158 2.915
84 HB2 CYS 16 1HB CYS 16 -6.543 -3.170 0.489
85 HB3 CYS 16 2HB CYS 16 -6.356 -1.526 1.091
86 H GLU 17 H GLU 17 -6.414 -5.091 1.137
87 HA GLU 17 HA GLU 17 -4.310 -6.787 2.299
88 HB2 GLU 17 1HB GLU 17 -5.710 -8.697 1.607
89 HB3 GLU 17 2HB GLU 17 -6.552 -7.619 2.711
90 HG2 GLU 17 1HG GLU 17 -8.201 -7.919 1.197
91 HG3 GLU 17 2HG GLU 17 -7.389 -6.554 0.434
92 H LYS 18 H LYS 18 -3.977 -4.897 0.064
93 HA LYS 18 HA LYS 18 -3.590 -6.662 -2.231
94 HB2 LYS 18 1HB LYS 18 -3.338 -3.671 -1.896
95 HB3 LYS 18 2HB LYS 18 -2.924 -4.515 -3.382
96 HG2 LYS 18 1HG LYS 18 -5.128 -5.071 -3.833
97 HG3 LYS 18 2HG LYS 18 -5.633 -4.838 -2.158
98 HD2 LYS 18 1HD LYS 18 -5.672 -2.528 -2.357
99 HD3 LYS 18 2HD LYS 18 -4.579 -2.529 -3.743
100 HE2 LYS 18 1HE LYS 18 -6.451 -3.720 -5.001
101 HE3 LYS 18 2HE LYS 18 -7.493 -3.259 -3.657
102 HZ1 LYS 18 3HZ LYS 18 -5.878 -1.272 -5.138
103 HZ2 LYS 18 1HZ LYS 18 -7.203 -0.999 -4.122
104 HZ3 LYS 18 2HZ LYS 18 -7.433 -1.713 -5.638
105 H ALA 19 H ALA 19 -1.503 -6.361 -3.469
106 HA ALA 19 HA ALA 19 0.818 -5.694 -1.864
107 HB1 ALA 19 3HB ALA 19 1.860 -7.834 -1.956
108 HB2 ALA 19 1HB ALA 19 0.245 -8.061 -1.283
109 HB3 ALA 19 2HB ALA 19 0.569 -8.486 -2.965
110 H PHE 20 H PHE 20 2.712 -5.409 -3.084
111 HA PHE 20 HA PHE 20 2.400 -5.614 -6.001
112 HB2 PHE 20 1HB PHE 20 3.664 -3.268 -4.572
113 HB3 PHE 20 2HB PHE 20 3.420 -3.439 -6.307
114 HD1 PHE 20 HD2 PHE 20 1.631 -3.127 -3.079
115 HD2 PHE 20 HD1 PHE 20 1.432 -2.739 -7.313
116 HE1 PHE 20 HE2 PHE 20 -0.562 -2.031 -2.872
117 HE2 PHE 20 HE1 PHE 20 -0.761 -1.641 -7.113
118 HZ PHE 20 HZ PHE 20 -1.761 -1.287 -4.890
119 H SER 21 H SER 21 4.255 -6.075 -7.165
120 HA SER 21 HA SER 21 6.381 -7.305 -5.628
121 HB2 SER 21 1HB SER 21 5.378 -8.406 -7.642
122 HB3 SER 21 2HB SER 21 6.084 -7.131 -8.635
123 HG SER 21 HG SER 21 7.335 -9.143 -8.394
124 H SER 22 H SER 22 6.155 -4.420 -5.533
125 HA SER 22 HA SER 22 8.882 -3.746 -5.925
126 HB2 SER 22 1HB SER 22 7.815 -3.615 -8.289
127 HB3 SER 22 2HB SER 22 7.050 -2.143 -7.692
128 HG SER 22 HG SER 22 9.785 -2.411 -7.262
129 H LYS 23 H LYS 23 9.356 -2.347 -4.373
130 HA LYS 23 HA LYS 23 7.582 -1.294 -2.564
131 HB2 LYS 23 1HB LYS 23 10.372 -0.629 -3.351
132 HB3 LYS 23 2HB LYS 23 9.521 0.533 -2.342
133 HG2 LYS 23 1HG LYS 23 9.467 -2.322 -1.529
134 HG3 LYS 23 2HG LYS 23 10.966 -1.416 -1.310
135 HD2 LYS 23 1HD LYS 23 9.943 -0.991 0.694
136 HD3 LYS 23 2HD LYS 23 9.335 0.367 -0.255
137 HE2 LYS 23 1HE LYS 23 7.238 -0.637 -0.552
138 HE3 LYS 23 2HE LYS 23 7.836 -2.228 -0.083
139 HZ1 LYS 23 3HZ LYS 23 7.114 0.058 1.612
140 HZ2 LYS 23 1HZ LYS 23 8.294 -1.023 2.161
141 HZ3 LYS 23 2HZ LYS 23 6.739 -1.581 1.801
142 H SER 24 H SER 24 8.735 0.149 -5.568
143 HA SER 24 HA SER 24 7.638 2.712 -5.205
144 HB2 SER 24 1HB SER 24 8.159 3.105 -7.452
145 HB3 SER 24 2HB SER 24 9.307 1.845 -7.002
146 HG SER 24 HG SER 24 8.441 1.089 -8.835
147 H TYR 25 H TYR 25 6.331 -0.183 -6.790
148 HA TYR 25 HA TYR 25 3.931 0.916 -7.694
149 HB2 TYR 25 1HB TYR 25 4.889 -1.834 -7.074
150 HB3 TYR 25 2HB TYR 25 3.155 -1.601 -7.265
151 HD1 TYR 25 HD1 TYR 25 2.929 0.329 -9.404
152 HD2 TYR 25 HD2 TYR 25 5.679 -2.889 -8.976
153 HE1 TYR 25 HE1 TYR 25 3.181 0.227 -11.848
154 HE2 TYR 25 HE2 TYR 25 5.939 -3.000 -11.419
155 HH TYR 25 HH TYR 25 3.861 -1.608 -13.553
156 H LEU 26 H LEU 26 4.681 -0.689 -4.617
157 HA LEU 26 HA LEU 26 2.110 -0.601 -3.516
158 HB2 LEU 26 1HB LEU 26 3.722 -1.976 -2.478
159 HB3 LEU 26 2HB LEU 26 4.848 -0.634 -2.281
160 HG LEU 26 HG LEU 26 3.335 0.345 -0.592
161 HD11 LEU 26 1HD1 LEU 26 1.591 -1.767 -1.557
162 HD12 LEU 26 2HD1 LEU 26 1.207 -0.309 -0.644
163 HD13 LEU 26 3HD1 LEU 26 1.745 -1.761 0.200
164 HD21 LEU 26 3HD2 LEU 26 3.720 -2.378 0.447
165 HD22 LEU 26 1HD2 LEU 26 4.317 -0.833 1.053
166 HD23 LEU 26 2HD2 LEU 26 5.148 -1.638 -0.278
167 H LEU 27 H LEU 27 4.812 1.690 -3.189
168 HA LEU 27 HA LEU 27 3.610 3.516 -1.481
169 HB2 LEU 27 1HB LEU 27 5.599 3.936 -3.701
170 HB3 LEU 27 2HB LEU 27 5.134 5.199 -2.562
171 HG LEU 27 HG LEU 27 6.356 2.587 -1.696
172 HD11 LEU 27 1HD1 LEU 27 8.466 3.392 -1.935
173 HD12 LEU 27 2HD1 LEU 27 7.965 5.075 -1.778
174 HD13 LEU 27 3HD1 LEU 27 7.707 4.217 -3.297
175 HD21 LEU 27 3HD2 LEU 27 6.290 5.248 -0.294
176 HD22 LEU 27 1HD2 LEU 27 6.730 3.676 0.372
177 HD23 LEU 27 2HD2 LEU 27 5.055 4.008 -0.069
178 H VAL 28 H VAL 28 3.800 3.760 -5.038
179 HA VAL 28 HA VAL 28 2.189 5.968 -5.391
180 HB VAL 28 HB VAL 28 2.350 3.552 -7.198
181 HG11 VAL 28 1HG1 VAL 28 0.653 5.759 -7.360
182 HG12 VAL 28 2HG1 VAL 28 1.952 6.089 -8.509
183 HG13 VAL 28 3HG1 VAL 28 1.017 4.599 -8.638
184 HG21 VAL 28 3HG2 VAL 28 3.875 6.091 -7.597
185 HG22 VAL 28 1HG2 VAL 28 4.485 4.862 -6.489
186 HG23 VAL 28 2HG2 VAL 28 4.227 4.468 -8.188
187 H HIS 29 H HIS 29 1.262 2.638 -4.800
188 HA HIS 29 HA HIS 29 -1.478 2.892 -5.445
189 HB2 HIS 29 1HB HIS 29 -0.859 0.679 -5.312
190 HB3 HIS 29 2HB HIS 29 0.176 0.941 -3.911
191 HD1 HIS 29 HD1 HIS 29 -3.525 0.780 -4.750
192 HD2 HIS 29 HD2 HIS 29 -0.940 0.189 -1.552
193 HE1 HIS 29 HE1 HIS 29 -4.951 -0.137 -2.893
194 H GLN 30 H GLN 30 0.286 3.193 -2.381
195 HA GLN 30 HA GLN 30 -1.790 3.502 -0.615
196 HB2 GLN 30 1HB GLN 30 0.989 4.552 -0.739
197 HB3 GLN 30 2HB GLN 30 -0.093 5.271 0.446
198 HG2 GLN 30 1HG GLN 30 -0.220 3.375 1.695
199 HG3 GLN 30 2HG GLN 30 0.042 2.313 0.313
200 HE21 GLN 30 1HE2 GLN 30 1.947 1.376 0.184
201 HE22 GLN 30 2HE2 GLN 30 3.398 1.907 0.956
202 H GLN 31 H GLN 31 -0.887 5.589 -3.177
203 HA GLN 31 HA GLN 31 -1.722 8.080 -2.309
204 HB2 GLN 31 1HB GLN 31 -1.844 6.780 -5.023
205 HB3 GLN 31 2HB GLN 31 -2.338 8.447 -4.764
206 HG2 GLN 31 1HG GLN 31 -0.093 8.957 -3.903
207 HG3 GLN 31 2HG GLN 31 0.392 7.296 -4.238
208 HE21 GLN 31 1HE2 GLN 31 1.961 8.919 -5.412
209 HE22 GLN 31 2HE2 GLN 31 1.603 9.157 -7.085
210 H THR 32 H THR 32 -3.628 5.339 -3.390
211 HA THR 32 HA THR 32 -6.100 6.695 -3.639
212 HB THR 32 HB THR 32 -5.688 4.473 -4.637
213 HG1 THR 32 HG1 THR 32 -7.790 4.340 -4.556
214 HG21 THR 32 3HG2 THR 32 -4.707 2.922 -3.362
215 HG22 THR 32 1HG2 THR 32 -6.269 2.702 -2.575
216 HG23 THR 32 2HG2 THR 32 -5.080 3.805 -1.881
217 H HIS 33 H HIS 33 -4.289 5.653 -0.921
218 HA HIS 33 HA HIS 33 -6.586 5.614 0.863
219 HB2 HIS 33 1HB HIS 33 -3.652 5.058 1.206
220 HB3 HIS 33 2HB HIS 33 -4.696 5.281 2.606
221 HD1 HIS 33 HD1 HIS 33 -6.995 3.632 2.360
222 HD2 HIS 33 HD2 HIS 33 -3.444 2.455 0.552
223 HE1 HIS 33 HE1 HIS 33 -7.214 1.153 1.999
224 H ALA 34 H ALA 34 -4.306 7.846 -0.321
225 HA ALA 34 HA ALA 34 -4.211 9.594 1.934
226 HB1 ALA 34 3HB ALA 34 -3.698 11.061 -0.423
227 HB2 ALA 34 1HB ALA 34 -2.537 10.429 0.745
228 HB3 ALA 34 2HB ALA 34 -3.009 9.453 -0.647
229 H GLU 35 H GLU 35 -6.351 9.191 -0.787
230 HA GLU 35 HA GLU 35 -7.782 11.654 -0.081
231 HB2 GLU 35 1HB GLU 35 -9.083 10.938 -2.257
232 HB3 GLU 35 2HB GLU 35 -7.525 11.745 -2.363
233 HG2 GLU 35 1HG GLU 35 -6.403 9.749 -2.879
234 HG3 GLU 35 2HG GLU 35 -7.774 8.757 -2.385
235 H GLU 36 H GLU 36 -8.100 8.176 -0.232
236 HA GLU 36 HA GLU 36 -10.888 7.993 0.106
237 HB2 GLU 36 1HB GLU 36 -9.587 6.075 -0.600
238 HB3 GLU 36 2HB GLU 36 -8.686 6.087 0.910
239 HG2 GLU 36 1HG GLU 36 -10.592 5.409 2.151
240 HG3 GLU 36 2HG GLU 36 -11.656 5.657 0.768
241 H LYS 37 H LYS 37 -8.546 9.176 2.184
242 HA LYS 37 HA LYS 37 -10.062 8.496 4.600
243 HB2 LYS 37 1HB LYS 37 -7.263 9.343 4.053
244 HB3 LYS 37 2HB LYS 37 -7.972 9.843 5.583
245 HG2 LYS 37 1HG LYS 37 -8.181 7.669 6.346
246 HG3 LYS 37 2HG LYS 37 -8.111 6.985 4.720
247 HD2 LYS 37 1HD LYS 37 -6.030 6.479 5.693
248 HD3 LYS 37 2HD LYS 37 -5.719 7.853 4.630
249 HE2 LYS 37 1HE LYS 37 -4.605 8.465 6.561
250 HE3 LYS 37 2HE LYS 37 -6.160 9.271 6.758
251 HZ1 LYS 37 3HZ LYS 37 -5.387 8.100 8.773
252 HZ2 LYS 37 1HZ LYS 37 -5.488 6.631 7.939
253 HZ3 LYS 37 2HZ LYS 37 -6.885 7.542 8.220
254 HA PRO 38 HA PRO 38 -11.944 12.476 4.740
255 HB2 PRO 38 1HB PRO 38 -12.527 12.567 7.390
256 HB3 PRO 38 2HB PRO 38 -13.417 11.557 6.244
257 HG2 PRO 38 1HG PRO 38 -11.221 10.797 8.131
258 HG3 PRO 38 2HG PRO 38 -12.727 9.937 7.763
259 HD2 PRO 38 1HD PRO 38 -10.346 9.237 6.678
260 HD3 PRO 38 2HD PRO 38 -11.885 9.039 5.814
261 H SER 39 H SER 39 -11.769 14.575 5.887
262 HA SER 39 HA SER 39 -9.370 15.054 7.428
263 HB2 SER 39 1HB SER 39 -9.672 15.988 4.586
264 HB3 SER 39 2HB SER 39 -8.722 16.924 5.740
265 HG SER 39 HG SER 39 -7.236 15.576 5.006
266 H GLY 40 H GLY 40 -9.675 16.680 8.829
267 HA2 GLY 40 1HA GLY 40 -11.443 18.886 8.223
268 HA3 GLY 40 2HA GLY 40 -12.056 17.794 9.456
269 HA PRO 41 HA PRO 41 -9.897 20.213 12.425
270 HB2 PRO 41 1HB PRO 41 -9.837 18.420 14.462
271 HB3 PRO 41 2HB PRO 41 -11.305 19.281 13.983
272 HG2 PRO 41 1HG PRO 41 -10.432 16.500 13.301
273 HG3 PRO 41 2HG PRO 41 -12.037 17.084 13.776
274 HD2 PRO 41 1HD PRO 41 -11.370 16.591 11.198
275 HD3 PRO 41 2HD PRO 41 -12.518 17.864 11.661
276 H SER 42 H SER 42 -8.588 17.640 10.804
277 HA SER 42 HA SER 42 -6.477 16.842 10.521
278 HB2 SER 42 1HB SER 42 -6.027 19.516 11.758
279 HB3 SER 42 2HB SER 42 -4.655 18.413 11.672
280 HG SER 42 HG SER 42 -6.163 19.542 9.581
281 H SER 43 H SER 43 -7.917 15.669 12.544
282 HA SER 43 HA SER 43 -5.992 15.332 14.739
283 HB2 SER 43 1HB SER 43 -8.921 14.582 14.576
284 HB3 SER 43 2HB SER 43 -7.878 14.278 15.965
285 HG SER 43 HG SER 43 -8.757 16.179 16.463
286 H GLY 44 H GLY 44 -4.633 13.694 14.455
287 HA2 GLY 44 1HA GLY 44 -4.381 11.279 14.531
288 HA3 GLY 44 2HA GLY 44 -5.721 11.162 13.401
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -5.568 -18.719 -11.490
2 HA2 GLY 1 1HA GLY 1 -7.809 -19.355 -11.485
3 HA3 GLY 1 2HA GLY 1 -7.329 -20.958 -12.023
4 H SER 2 H SER 2 -6.472 -22.442 -10.434
5 HA SER 2 HA SER 2 -8.011 -22.535 -8.092
6 HB2 SER 2 1HB SER 2 -6.914 -24.485 -9.303
7 HB3 SER 2 2HB SER 2 -5.412 -24.019 -8.505
8 HG SER 2 HG SER 2 -6.511 -24.295 -6.499
9 H SER 3 H SER 3 -7.513 -22.201 -5.932
10 HA SER 3 HA SER 3 -5.354 -20.283 -5.474
11 HB2 SER 3 1HB SER 3 -7.839 -21.015 -3.936
12 HB3 SER 3 2HB SER 3 -6.551 -20.060 -3.201
13 HG SER 3 HG SER 3 -7.550 -18.452 -4.116
14 H GLY 4 H GLY 4 -3.620 -20.684 -4.215
15 HA2 GLY 4 1HA GLY 4 -3.478 -22.600 -2.165
16 HA3 GLY 4 2HA GLY 4 -2.859 -23.325 -3.642
17 H SER 5 H SER 5 -1.147 -22.043 -4.787
18 HA SER 5 HA SER 5 0.906 -21.377 -2.896
19 HB2 SER 5 1HB SER 5 0.870 -21.303 -5.922
20 HB3 SER 5 2HB SER 5 2.303 -21.015 -4.935
21 HG SER 5 HG SER 5 0.921 -23.386 -5.432
22 H SER 6 H SER 6 1.656 -19.419 -2.314
23 HA SER 6 HA SER 6 0.061 -17.120 -2.798
24 HB2 SER 6 1HB SER 6 1.522 -15.976 -1.325
25 HB3 SER 6 2HB SER 6 1.474 -17.634 -0.725
26 HG SER 6 HG SER 6 3.551 -17.632 -0.964
27 H GLY 7 H GLY 7 1.226 -14.984 -3.424
28 HA2 GLY 7 1HA GLY 7 2.483 -15.476 -6.037
29 HA3 GLY 7 2HA GLY 7 1.637 -14.009 -5.569
30 H GLU 8 H GLU 8 3.939 -13.561 -6.740
31 HA GLU 8 HA GLU 8 6.084 -13.424 -4.785
32 HB2 GLU 8 1HB GLU 8 5.909 -12.636 -7.693
33 HB3 GLU 8 2HB GLU 8 7.337 -12.355 -6.706
34 HG2 GLU 8 1HG GLU 8 7.900 -14.332 -7.679
35 HG3 GLU 8 2HG GLU 8 7.114 -14.922 -6.216
36 H LYS 9 H LYS 9 4.276 -11.992 -3.635
37 HA LYS 9 HA LYS 9 4.828 -9.181 -4.328
38 HB2 LYS 9 1HB LYS 9 2.505 -10.094 -2.649
39 HB3 LYS 9 2HB LYS 9 2.713 -8.563 -3.490
40 HG2 LYS 9 1HG LYS 9 2.625 -11.046 -5.114
41 HG3 LYS 9 2HG LYS 9 1.120 -10.452 -4.408
42 HD2 LYS 9 1HD LYS 9 1.086 -9.322 -6.395
43 HD3 LYS 9 2HD LYS 9 1.976 -8.158 -5.410
44 HE2 LYS 9 1HE LYS 9 4.067 -8.907 -6.297
45 HE3 LYS 9 2HE LYS 9 3.293 -10.262 -7.118
46 HZ1 LYS 9 3HZ LYS 9 3.623 -8.672 -8.770
47 HZ2 LYS 9 1HZ LYS 9 3.141 -7.387 -7.782
48 HZ3 LYS 9 2HZ LYS 9 1.992 -8.486 -8.359
49 HA PRO 10 HA PRO 10 6.941 -10.006 -0.294
50 HB2 PRO 10 1HB PRO 10 9.150 -8.547 -0.900
51 HB3 PRO 10 2HB PRO 10 8.967 -10.247 -1.351
52 HG2 PRO 10 1HG PRO 10 8.543 -7.791 -3.009
53 HG3 PRO 10 2HG PRO 10 9.347 -9.310 -3.445
54 HD2 PRO 10 1HD PRO 10 6.807 -8.740 -4.190
55 HD3 PRO 10 2HD PRO 10 7.354 -10.394 -3.851
56 H PHE 11 H PHE 11 5.443 -7.482 -1.804
57 HA PHE 11 HA PHE 11 5.949 -5.684 0.473
58 HB2 PHE 11 1HB PHE 11 5.627 -4.998 -2.446
59 HB3 PHE 11 2HB PHE 11 5.422 -3.803 -1.169
60 HD1 PHE 11 HD2 PHE 11 7.323 -3.083 0.176
61 HD2 PHE 11 HD1 PHE 11 7.792 -5.839 -3.033
62 HE1 PHE 11 HE2 PHE 11 9.751 -2.688 0.196
63 HE2 PHE 11 HE1 PHE 11 10.221 -5.448 -3.018
64 HZ PHE 11 HZ PHE 11 11.204 -3.870 -1.403
65 H GLY 12 H GLY 12 4.174 -5.988 1.698
66 HA2 GLY 12 1HA GLY 12 1.547 -5.900 0.358
67 HA3 GLY 12 2HA GLY 12 1.855 -6.665 1.910
68 H CYS 13 H CYS 13 0.120 -4.332 0.793
69 HA CYS 13 HA CYS 13 0.924 -1.971 2.087
70 HB2 CYS 13 1HB CYS 13 -0.881 -2.254 0.305
71 HB3 CYS 13 2HB CYS 13 -1.944 -2.774 1.609
72 H SER 14 H SER 14 -0.286 -0.936 3.910
73 HA SER 14 HA SER 14 -0.629 -2.895 6.075
74 HB2 SER 14 1HB SER 14 1.138 -0.964 6.132
75 HB3 SER 14 2HB SER 14 -0.248 0.043 6.553
76 HG SER 14 HG SER 14 1.151 -1.364 8.199
77 H CYS 15 H CYS 15 -2.083 -0.092 4.526
78 HA CYS 15 HA CYS 15 -4.284 0.105 6.332
79 HB2 CYS 15 1HB CYS 15 -3.750 1.242 3.591
80 HB3 CYS 15 2HB CYS 15 -5.264 1.524 4.442
81 HG CYS 15 HG CYS 15 -3.959 3.821 4.920
82 H CYS 16 H CYS 16 -3.779 -1.419 3.186
83 HA CYS 16 HA CYS 16 -6.403 -2.729 3.478
84 HB2 CYS 16 1HB CYS 16 -6.507 -2.899 1.055
85 HB3 CYS 16 2HB CYS 16 -6.260 -1.219 1.521
86 H GLU 17 H GLU 17 -6.293 -4.777 1.816
87 HA GLU 17 HA GLU 17 -4.092 -6.408 2.877
88 HB2 GLU 17 1HB GLU 17 -5.499 -8.334 2.522
89 HB3 GLU 17 2HB GLU 17 -6.412 -7.121 3.408
90 HG2 GLU 17 1HG GLU 17 -7.333 -6.416 1.130
91 HG3 GLU 17 2HG GLU 17 -6.690 -7.949 0.545
92 H LYS 18 H LYS 18 -3.888 -4.628 0.548
93 HA LYS 18 HA LYS 18 -3.736 -6.431 -1.726
94 HB2 LYS 18 1HB LYS 18 -3.119 -3.487 -1.435
95 HB3 LYS 18 2HB LYS 18 -2.966 -4.380 -2.942
96 HG2 LYS 18 1HG LYS 18 -5.438 -4.996 -2.580
97 HG3 LYS 18 2HG LYS 18 -5.441 -3.663 -1.423
98 HD2 LYS 18 1HD LYS 18 -6.130 -2.661 -3.411
99 HD3 LYS 18 2HD LYS 18 -4.407 -2.284 -3.338
100 HE2 LYS 18 1HE LYS 18 -4.767 -2.983 -5.544
101 HE3 LYS 18 2HE LYS 18 -4.066 -4.388 -4.743
102 HZ1 LYS 18 3HZ LYS 18 -6.928 -4.329 -4.591
103 HZ2 LYS 18 1HZ LYS 18 -5.900 -5.574 -5.097
104 HZ3 LYS 18 2HZ LYS 18 -6.367 -4.367 -6.186
105 H ALA 19 H ALA 19 -1.725 -6.442 -3.057
106 HA ALA 19 HA ALA 19 0.751 -5.976 -1.608
107 HB1 ALA 19 3HB ALA 19 0.607 -8.684 -2.759
108 HB2 ALA 19 1HB ALA 19 1.401 -8.112 -1.292
109 HB3 ALA 19 2HB ALA 19 -0.336 -8.417 -1.294
110 H PHE 20 H PHE 20 2.555 -5.794 -2.933
111 HA PHE 20 HA PHE 20 2.064 -6.025 -5.826
112 HB2 PHE 20 1HB PHE 20 3.633 -3.808 -4.496
113 HB3 PHE 20 2HB PHE 20 3.281 -3.964 -6.214
114 HD1 PHE 20 HD2 PHE 20 1.403 -3.913 -2.986
115 HD2 PHE 20 HD1 PHE 20 1.624 -2.620 -7.036
116 HE1 PHE 20 HE2 PHE 20 -0.658 -2.605 -2.678
117 HE2 PHE 20 HE1 PHE 20 -0.436 -1.309 -6.733
118 HZ PHE 20 HZ PHE 20 -1.580 -1.301 -4.553
119 H SER 21 H SER 21 4.286 -5.760 -7.019
120 HA SER 21 HA SER 21 6.130 -7.645 -5.724
121 HB2 SER 21 1HB SER 21 6.974 -8.055 -8.039
122 HB3 SER 21 2HB SER 21 5.266 -8.446 -7.841
123 HG SER 21 HG SER 21 5.954 -5.872 -8.691
124 H SER 22 H SER 22 5.804 -4.399 -6.632
125 HA SER 22 HA SER 22 8.687 -3.975 -6.222
126 HB2 SER 22 1HB SER 22 7.943 -3.699 -8.644
127 HB3 SER 22 2HB SER 22 7.021 -2.297 -8.102
128 HG SER 22 HG SER 22 9.740 -2.607 -8.438
129 H LYS 23 H LYS 23 9.146 -2.602 -4.635
130 HA LYS 23 HA LYS 23 7.230 -1.509 -2.944
131 HB2 LYS 23 1HB LYS 23 9.632 -1.903 -2.380
132 HB3 LYS 23 2HB LYS 23 10.049 -0.489 -3.340
133 HG2 LYS 23 1HG LYS 23 8.680 0.904 -1.847
134 HG3 LYS 23 2HG LYS 23 8.332 -0.522 -0.866
135 HD2 LYS 23 1HD LYS 23 10.110 0.654 0.198
136 HD3 LYS 23 2HD LYS 23 10.807 -0.787 -0.545
137 HE2 LYS 23 1HE LYS 23 10.758 1.776 -2.074
138 HE3 LYS 23 2HE LYS 23 11.967 1.547 -0.811
139 HZ1 LYS 23 3HZ LYS 23 12.044 -0.770 -2.255
140 HZ2 LYS 23 1HZ LYS 23 13.153 0.505 -2.354
141 HZ3 LYS 23 2HZ LYS 23 11.855 0.427 -3.436
142 H SER 24 H SER 24 8.912 -0.072 -5.692
143 HA SER 24 HA SER 24 8.175 2.584 -5.372
144 HB2 SER 24 1HB SER 24 8.765 2.899 -7.626
145 HB3 SER 24 2HB SER 24 9.720 1.498 -7.140
146 HG SER 24 HG SER 24 7.232 1.416 -8.507
147 H TYR 25 H TYR 25 6.475 0.061 -7.228
148 HA TYR 25 HA TYR 25 4.284 1.606 -8.000
149 HB2 TYR 25 1HB TYR 25 4.825 -1.307 -7.736
150 HB3 TYR 25 2HB TYR 25 3.143 -0.809 -7.885
151 HD1 TYR 25 HD1 TYR 25 3.047 1.270 -9.786
152 HD2 TYR 25 HD2 TYR 25 5.649 -2.095 -9.735
153 HE1 TYR 25 HE1 TYR 25 3.310 1.444 -12.225
154 HE2 TYR 25 HE2 TYR 25 5.921 -1.930 -12.173
155 HH TYR 25 HH TYR 25 5.500 -0.708 -13.994
156 H LEU 26 H LEU 26 4.681 -0.503 -5.166
157 HA LEU 26 HA LEU 26 2.156 -0.228 -4.061
158 HB2 LEU 26 1HB LEU 26 3.532 -1.824 -3.076
159 HB3 LEU 26 2HB LEU 26 4.866 -0.689 -2.881
160 HG LEU 26 HG LEU 26 3.186 0.467 -1.204
161 HD11 LEU 26 1HD1 LEU 26 1.705 -1.769 -1.939
162 HD12 LEU 26 2HD1 LEU 26 1.399 -0.691 -0.577
163 HD13 LEU 26 3HD1 LEU 26 2.350 -2.157 -0.344
164 HD21 LEU 26 3HD2 LEU 26 4.639 -2.062 -0.446
165 HD22 LEU 26 1HD2 LEU 26 4.275 -0.680 0.588
166 HD23 LEU 26 2HD2 LEU 26 5.433 -0.513 -0.732
167 H LEU 27 H LEU 27 5.058 1.665 -3.204
168 HA LEU 27 HA LEU 27 4.054 3.440 -1.429
169 HB2 LEU 27 1HB LEU 27 5.995 3.860 -3.678
170 HB3 LEU 27 2HB LEU 27 5.600 5.155 -2.550
171 HG LEU 27 HG LEU 27 6.799 2.497 -1.775
172 HD11 LEU 27 1HD1 LEU 27 8.613 4.501 -1.215
173 HD12 LEU 27 2HD1 LEU 27 7.988 4.934 -2.806
174 HD13 LEU 27 3HD1 LEU 27 8.707 3.346 -2.545
175 HD21 LEU 27 3HD2 LEU 27 5.648 3.279 0.097
176 HD22 LEU 27 1HD2 LEU 27 6.036 4.964 -0.251
177 HD23 LEU 27 2HD2 LEU 27 7.292 3.873 0.336
178 H VAL 28 H VAL 28 3.659 3.588 -4.940
179 HA VAL 28 HA VAL 28 2.287 6.076 -4.969
180 HB VAL 28 HB VAL 28 2.469 3.838 -6.977
181 HG11 VAL 28 1HG1 VAL 28 0.382 4.715 -7.510
182 HG12 VAL 28 2HG1 VAL 28 0.851 6.358 -7.069
183 HG13 VAL 28 3HG1 VAL 28 1.478 5.627 -8.546
184 HG21 VAL 28 3HG2 VAL 28 3.488 6.148 -8.072
185 HG22 VAL 28 1HG2 VAL 28 3.974 6.258 -6.380
186 HG23 VAL 28 2HG2 VAL 28 4.430 4.849 -7.339
187 H HIS 29 H HIS 29 1.273 2.731 -4.661
188 HA HIS 29 HA HIS 29 -1.484 3.107 -5.104
189 HB2 HIS 29 1HB HIS 29 -0.861 0.876 -5.171
190 HB3 HIS 29 2HB HIS 29 0.168 1.012 -3.747
191 HD1 HIS 29 HD1 HIS 29 -3.428 0.595 -4.753
192 HD2 HIS 29 HD2 HIS 29 -1.082 0.508 -1.325
193 HE1 HIS 29 HE1 HIS 29 -4.914 -0.326 -2.945
194 H GLN 30 H GLN 30 0.512 3.370 -2.212
195 HA GLN 30 HA GLN 30 -1.410 3.493 -0.242
196 HB2 GLN 30 1HB GLN 30 1.296 4.685 -0.577
197 HB3 GLN 30 2HB GLN 30 0.297 5.293 0.736
198 HG2 GLN 30 1HG GLN 30 1.538 3.607 1.725
199 HG3 GLN 30 2HG GLN 30 -0.010 2.836 1.384
200 HE21 GLN 30 1HE2 GLN 30 0.048 2.044 -1.095
201 HE22 GLN 30 2HE2 GLN 30 1.378 0.993 -1.426
202 H GLN 31 H GLN 31 -0.888 5.674 -2.814
203 HA GLN 31 HA GLN 31 -1.896 8.045 -1.638
204 HB2 GLN 31 1HB GLN 31 -1.752 7.149 -4.518
205 HB3 GLN 31 2HB GLN 31 -2.258 8.758 -4.020
206 HG2 GLN 31 1HG GLN 31 -0.148 9.369 -3.356
207 HG3 GLN 31 2HG GLN 31 0.364 7.705 -3.082
208 HE21 GLN 31 1HE2 GLN 31 -1.338 8.469 -5.972
209 HE22 GLN 31 2HE2 GLN 31 0.011 8.387 -7.048
210 H THR 32 H THR 32 -3.410 5.422 -3.464
211 HA THR 32 HA THR 32 -5.924 6.405 -3.901
212 HB THR 32 HB THR 32 -5.180 4.162 -4.623
213 HG1 THR 32 HG1 THR 32 -7.572 4.109 -3.069
214 HG21 THR 32 3HG2 THR 32 -5.993 2.791 -2.185
215 HG22 THR 32 1HG2 THR 32 -4.550 3.779 -1.962
216 HG23 THR 32 2HG2 THR 32 -4.581 2.532 -3.208
217 H HIS 33 H HIS 33 -4.452 5.735 -0.873
218 HA HIS 33 HA HIS 33 -6.934 5.536 0.595
219 HB2 HIS 33 1HB HIS 33 -4.032 5.611 1.396
220 HB3 HIS 33 2HB HIS 33 -5.321 5.696 2.593
221 HD1 HIS 33 HD1 HIS 33 -7.094 3.578 2.384
222 HD2 HIS 33 HD2 HIS 33 -3.276 3.080 0.823
223 HE1 HIS 33 HE1 HIS 33 -6.766 1.092 2.186
224 H ALA 34 H ALA 34 -4.427 7.948 0.016
225 HA ALA 34 HA ALA 34 -5.498 9.881 1.821
226 HB1 ALA 34 3HB ALA 34 -3.912 10.984 -0.349
227 HB2 ALA 34 1HB ALA 34 -3.617 10.995 1.390
228 HB3 ALA 34 2HB ALA 34 -3.137 9.600 0.422
229 H GLU 35 H GLU 35 -5.967 9.128 -1.568
230 HA GLU 35 HA GLU 35 -7.383 11.541 -2.183
231 HB2 GLU 35 1HB GLU 35 -6.893 8.949 -3.602
232 HB3 GLU 35 2HB GLU 35 -8.116 10.055 -4.210
233 HG2 GLU 35 1HG GLU 35 -6.332 10.766 -5.415
234 HG3 GLU 35 2HG GLU 35 -6.154 11.799 -3.998
235 H GLU 36 H GLU 36 -8.202 8.499 -0.790
236 HA GLU 36 HA GLU 36 -11.047 8.814 -1.309
237 HB2 GLU 36 1HB GLU 36 -9.703 6.584 -1.253
238 HB3 GLU 36 2HB GLU 36 -9.869 6.723 0.492
239 HG2 GLU 36 1HG GLU 36 -12.398 7.043 -0.065
240 HG3 GLU 36 2HG GLU 36 -11.956 6.254 -1.579
241 H LYS 37 H LYS 37 -10.049 10.939 0.126
242 HA LYS 37 HA LYS 37 -9.943 10.966 2.823
243 HB2 LYS 37 1HB LYS 37 -9.879 12.970 1.333
244 HB3 LYS 37 2HB LYS 37 -11.632 12.893 1.219
245 HG2 LYS 37 1HG LYS 37 -11.422 14.432 2.877
246 HG3 LYS 37 2HG LYS 37 -11.459 12.960 3.850
247 HD2 LYS 37 1HD LYS 37 -9.216 13.063 4.336
248 HD3 LYS 37 2HD LYS 37 -8.830 13.966 2.870
249 HE2 LYS 37 1HE LYS 37 -9.660 15.984 3.784
250 HE3 LYS 37 2HE LYS 37 -10.435 15.142 5.126
251 HZ1 LYS 37 3HZ LYS 37 -7.669 14.578 5.106
252 HZ2 LYS 37 1HZ LYS 37 -8.590 15.329 6.310
253 HZ3 LYS 37 2HZ LYS 37 -7.898 16.253 5.074
254 HA PRO 38 HA PRO 38 -13.692 9.125 4.276
255 HB2 PRO 38 1HB PRO 38 -13.459 9.862 6.879
256 HB3 PRO 38 2HB PRO 38 -12.497 8.567 6.158
257 HG2 PRO 38 1HG PRO 38 -11.745 11.416 6.685
258 HG3 PRO 38 2HG PRO 38 -10.797 9.941 6.951
259 HD2 PRO 38 1HD PRO 38 -10.426 11.544 4.800
260 HD3 PRO 38 2HD PRO 38 -10.182 9.787 4.735
261 H SER 39 H SER 39 -15.660 9.929 3.947
262 HA SER 39 HA SER 39 -16.246 12.655 4.901
263 HB2 SER 39 1HB SER 39 -16.204 12.549 2.445
264 HB3 SER 39 2HB SER 39 -17.398 11.251 2.476
265 HG SER 39 HG SER 39 -18.765 12.818 3.624
266 H GLY 40 H GLY 40 -17.195 12.170 6.835
267 HA2 GLY 40 1HA GLY 40 -19.876 11.114 6.721
268 HA3 GLY 40 2HA GLY 40 -18.753 10.081 7.593
269 HA PRO 41 HA PRO 41 -20.545 12.987 10.681
270 HB2 PRO 41 1HB PRO 41 -20.733 11.123 12.646
271 HB3 PRO 41 2HB PRO 41 -21.983 11.353 11.416
272 HG2 PRO 41 1HG PRO 41 -19.801 9.306 11.541
273 HG3 PRO 41 2HG PRO 41 -21.505 9.100 11.092
274 HD2 PRO 41 1HD PRO 41 -19.526 9.283 9.253
275 HD3 PRO 41 2HD PRO 41 -21.167 9.889 8.953
276 H SER 42 H SER 42 -19.675 13.676 12.743
277 HA SER 42 HA SER 42 -16.823 13.675 12.767
278 HB2 SER 42 1HB SER 42 -18.289 15.593 13.501
279 HB3 SER 42 2HB SER 42 -18.661 14.666 14.954
280 HG SER 42 HG SER 42 -16.435 14.682 15.448
281 H SER 43 H SER 43 -15.964 11.689 13.171
282 HA SER 43 HA SER 43 -16.539 10.540 15.822
283 HB2 SER 43 1HB SER 43 -17.530 9.073 14.172
284 HB3 SER 43 2HB SER 43 -16.038 9.057 13.231
285 HG SER 43 HG SER 43 -16.706 7.377 15.096
286 H GLY 44 H GLY 44 -14.745 11.706 16.654
287 HA2 GLY 44 1HA GLY 44 -12.137 10.624 15.778
288 HA3 GLY 44 2HA GLY 44 -12.348 12.282 16.320
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -6.239 -21.095 -19.069
2 HA2 GLY 1 1HA GLY 1 -4.542 -19.617 -19.846
3 HA3 GLY 1 2HA GLY 1 -4.808 -19.143 -18.175
4 H SER 2 H SER 2 -3.130 -19.191 -16.816
5 HA SER 2 HA SER 2 -0.654 -20.462 -17.773
6 HB2 SER 2 1HB SER 2 -0.440 -18.051 -17.525
7 HB3 SER 2 2HB SER 2 -1.041 -18.139 -15.870
8 HG SER 2 HG SER 2 1.134 -18.101 -15.674
9 H SER 3 H SER 3 0.790 -21.345 -16.113
10 HA SER 3 HA SER 3 -0.695 -22.405 -13.798
11 HB2 SER 3 1HB SER 3 -0.224 -24.068 -15.679
12 HB3 SER 3 2HB SER 3 1.479 -23.918 -15.246
13 HG SER 3 HG SER 3 0.620 -24.425 -13.016
14 H GLY 4 H GLY 4 0.094 -21.169 -12.177
15 HA2 GLY 4 1HA GLY 4 1.989 -21.400 -10.542
16 HA3 GLY 4 2HA GLY 4 3.033 -21.025 -11.906
17 H SER 5 H SER 5 3.183 -19.531 -9.618
18 HA SER 5 HA SER 5 1.549 -17.176 -9.812
19 HB2 SER 5 1HB SER 5 3.034 -16.300 -8.022
20 HB3 SER 5 2HB SER 5 2.371 -17.886 -7.633
21 HG SER 5 HG SER 5 4.547 -18.484 -8.810
22 H SER 6 H SER 6 4.870 -18.047 -10.654
23 HA SER 6 HA SER 6 6.473 -16.989 -11.881
24 HB2 SER 6 1HB SER 6 4.592 -17.357 -13.569
25 HB3 SER 6 2HB SER 6 4.190 -15.655 -13.340
26 HG SER 6 HG SER 6 5.815 -15.146 -14.562
27 H GLY 7 H GLY 7 5.951 -15.722 -9.478
28 HA2 GLY 7 1HA GLY 7 7.288 -13.417 -9.479
29 HA3 GLY 7 2HA GLY 7 5.705 -12.869 -10.010
30 H GLU 8 H GLU 8 7.465 -12.644 -7.461
31 HA GLU 8 HA GLU 8 5.344 -13.375 -5.552
32 HB2 GLU 8 1HB GLU 8 7.161 -13.307 -3.825
33 HB3 GLU 8 2HB GLU 8 7.336 -14.584 -5.020
34 HG2 GLU 8 1HG GLU 8 8.934 -13.117 -6.247
35 HG3 GLU 8 2HG GLU 8 8.848 -11.988 -4.896
36 H LYS 9 H LYS 9 4.810 -11.900 -3.898
37 HA LYS 9 HA LYS 9 5.638 -9.122 -4.437
38 HB2 LYS 9 1HB LYS 9 2.949 -10.115 -3.473
39 HB3 LYS 9 2HB LYS 9 3.397 -8.425 -3.664
40 HG2 LYS 9 1HG LYS 9 3.899 -9.109 -6.119
41 HG3 LYS 9 2HG LYS 9 2.861 -10.489 -5.751
42 HD2 LYS 9 1HD LYS 9 1.089 -8.921 -5.039
43 HD3 LYS 9 2HD LYS 9 2.126 -7.572 -5.506
44 HE2 LYS 9 1HE LYS 9 1.156 -9.747 -7.357
45 HE3 LYS 9 2HE LYS 9 0.455 -8.134 -7.232
46 HZ1 LYS 9 3HZ LYS 9 2.478 -7.174 -8.014
47 HZ2 LYS 9 1HZ LYS 9 2.042 -8.403 -9.093
48 HZ3 LYS 9 2HZ LYS 9 3.280 -8.662 -7.971
49 HA PRO 10 HA PRO 10 6.905 -10.175 -0.116
50 HB2 PRO 10 1HB PRO 10 9.272 -8.853 -0.254
51 HB3 PRO 10 2HB PRO 10 9.073 -10.524 -0.793
52 HG2 PRO 10 1HG PRO 10 9.112 -8.005 -2.410
53 HG3 PRO 10 2HG PRO 10 9.889 -9.563 -2.747
54 HD2 PRO 10 1HD PRO 10 7.570 -8.807 -3.922
55 HD3 PRO 10 2HD PRO 10 7.943 -10.502 -3.549
56 H PHE 11 H PHE 11 5.838 -7.535 -1.766
57 HA PHE 11 HA PHE 11 6.138 -5.779 0.582
58 HB2 PHE 11 1HB PHE 11 5.950 -5.027 -2.341
59 HB3 PHE 11 2HB PHE 11 5.878 -3.870 -1.016
60 HD1 PHE 11 HD1 PHE 11 8.027 -6.263 -2.797
61 HD2 PHE 11 HD2 PHE 11 7.842 -3.185 0.137
62 HE1 PHE 11 HE1 PHE 11 10.483 -6.117 -2.801
63 HE2 PHE 11 HE2 PHE 11 10.298 -3.033 0.137
64 HZ PHE 11 HZ PHE 11 11.622 -4.499 -1.334
65 H GLY 12 H GLY 12 4.281 -5.849 1.678
66 HA2 GLY 12 1HA GLY 12 1.765 -5.716 0.132
67 HA3 GLY 12 2HA GLY 12 1.919 -6.565 1.663
68 H CYS 13 H CYS 13 0.393 -4.091 0.509
69 HA CYS 13 HA CYS 13 1.126 -1.791 1.857
70 HB2 CYS 13 1HB CYS 13 -0.704 -2.005 0.150
71 HB3 CYS 13 2HB CYS 13 -1.720 -2.703 1.406
72 H SER 14 H SER 14 0.252 -0.799 3.784
73 HA SER 14 HA SER 14 -0.037 -2.753 5.941
74 HB2 SER 14 1HB SER 14 1.686 -1.168 6.378
75 HB3 SER 14 2HB SER 14 0.656 0.186 5.913
76 HG SER 14 HG SER 14 -0.671 -0.384 7.750
77 H CYS 15 H CYS 15 -1.692 -0.024 4.462
78 HA CYS 15 HA CYS 15 -3.798 0.105 6.374
79 HB2 CYS 15 1HB CYS 15 -3.347 1.251 3.641
80 HB3 CYS 15 2HB CYS 15 -4.943 1.350 4.375
81 HG CYS 15 HG CYS 15 -2.394 3.318 4.808
82 H CYS 16 H CYS 16 -3.464 -1.394 3.181
83 HA CYS 16 HA CYS 16 -5.990 -2.830 3.666
84 HB2 CYS 16 1HB CYS 16 -6.112 -3.134 1.219
85 HB3 CYS 16 2HB CYS 16 -6.077 -1.433 1.670
86 H GLU 17 H GLU 17 -5.865 -4.918 2.036
87 HA GLU 17 HA GLU 17 -3.556 -6.434 3.043
88 HB2 GLU 17 1HB GLU 17 -4.888 -8.393 2.969
89 HB3 GLU 17 2HB GLU 17 -5.900 -7.145 3.682
90 HG2 GLU 17 1HG GLU 17 -6.057 -7.543 0.749
91 HG3 GLU 17 2HG GLU 17 -6.781 -8.765 1.792
92 H LYS 18 H LYS 18 -3.628 -4.735 0.617
93 HA LYS 18 HA LYS 18 -3.518 -6.628 -1.581
94 HB2 LYS 18 1HB LYS 18 -3.214 -3.644 -1.365
95 HB3 LYS 18 2HB LYS 18 -2.782 -4.496 -2.841
96 HG2 LYS 18 1HG LYS 18 -5.011 -5.245 -3.164
97 HG3 LYS 18 2HG LYS 18 -5.492 -4.701 -1.554
98 HD2 LYS 18 1HD LYS 18 -5.404 -2.445 -2.165
99 HD3 LYS 18 2HD LYS 18 -4.424 -2.777 -3.596
100 HE2 LYS 18 1HE LYS 18 -6.240 -3.598 -4.798
101 HE3 LYS 18 2HE LYS 18 -7.191 -3.896 -3.344
102 HZ1 LYS 18 3HZ LYS 18 -6.962 -1.298 -3.141
103 HZ2 LYS 18 1HZ LYS 18 -8.180 -2.005 -4.079
104 HZ3 LYS 18 2HZ LYS 18 -6.782 -1.405 -4.820
105 H ALA 19 H ALA 19 -1.593 -6.549 -3.060
106 HA ALA 19 HA ALA 19 0.932 -6.071 -1.653
107 HB1 ALA 19 3HB ALA 19 0.107 -8.688 -2.891
108 HB2 ALA 19 1HB ALA 19 1.777 -8.280 -2.498
109 HB3 ALA 19 2HB ALA 19 0.568 -8.378 -1.218
110 H PHE 20 H PHE 20 2.762 -5.856 -3.039
111 HA PHE 20 HA PHE 20 2.174 -5.599 -5.900
112 HB2 PHE 20 1HB PHE 20 3.532 -3.488 -4.211
113 HB3 PHE 20 2HB PHE 20 3.412 -3.451 -5.967
114 HD1 PHE 20 HD2 PHE 20 1.190 -3.814 -2.992
115 HD2 PHE 20 HD1 PHE 20 1.733 -2.195 -6.890
116 HE1 PHE 20 HE2 PHE 20 -0.980 -2.668 -2.815
117 HE2 PHE 20 HE1 PHE 20 -0.435 -1.046 -6.719
118 HZ PHE 20 HZ PHE 20 -1.796 -1.282 -4.680
119 H SER 21 H SER 21 3.810 -6.188 -7.240
120 HA SER 21 HA SER 21 5.816 -7.878 -6.352
121 HB2 SER 21 1HB SER 21 6.844 -7.521 -8.620
122 HB3 SER 21 2HB SER 21 5.129 -7.931 -8.658
123 HG SER 21 HG SER 21 5.165 -6.217 -9.938
124 H SER 22 H SER 22 6.071 -4.450 -7.261
125 HA SER 22 HA SER 22 8.696 -4.376 -5.926
126 HB2 SER 22 1HB SER 22 9.031 -3.781 -8.195
127 HB3 SER 22 2HB SER 22 7.586 -2.770 -8.226
128 HG SER 22 HG SER 22 10.084 -2.259 -7.023
129 H LYS 23 H LYS 23 9.174 -2.670 -4.525
130 HA LYS 23 HA LYS 23 7.092 -1.790 -2.875
131 HB2 LYS 23 1HB LYS 23 9.313 -1.932 -1.992
132 HB3 LYS 23 2HB LYS 23 9.929 -0.812 -3.200
133 HG2 LYS 23 1HG LYS 23 9.792 0.561 -1.382
134 HG3 LYS 23 2HG LYS 23 8.205 0.831 -2.106
135 HD2 LYS 23 1HD LYS 23 7.117 -0.452 -0.504
136 HD3 LYS 23 2HD LYS 23 8.588 -1.319 -0.057
137 HE2 LYS 23 1HE LYS 23 9.334 0.369 1.298
138 HE3 LYS 23 2HE LYS 23 8.498 1.621 0.381
139 HZ1 LYS 23 3HZ LYS 23 6.592 -0.100 1.514
140 HZ2 LYS 23 1HZ LYS 23 6.845 1.543 1.829
141 HZ3 LYS 23 2HZ LYS 23 7.667 0.372 2.731
142 H SER 24 H SER 24 8.973 -0.001 -5.311
143 HA SER 24 HA SER 24 7.997 2.506 -5.114
144 HB2 SER 24 1HB SER 24 9.546 2.171 -6.839
145 HB3 SER 24 2HB SER 24 8.615 0.852 -7.548
146 HG SER 24 HG SER 24 8.476 2.853 -8.722
147 H TYR 25 H TYR 25 6.419 -0.004 -7.100
148 HA TYR 25 HA TYR 25 4.157 1.411 -7.812
149 HB2 TYR 25 1HB TYR 25 4.684 -1.514 -7.406
150 HB3 TYR 25 2HB TYR 25 3.062 -0.958 -7.804
151 HD1 TYR 25 HD1 TYR 25 3.245 0.977 -9.802
152 HD2 TYR 25 HD2 TYR 25 5.811 -2.367 -9.218
153 HE1 TYR 25 HE1 TYR 25 3.845 1.028 -12.187
154 HE2 TYR 25 HE2 TYR 25 6.419 -2.324 -11.601
155 HH TYR 25 HH TYR 25 4.724 -0.788 -13.902
156 H LEU 26 H LEU 26 4.647 -0.635 -4.949
157 HA LEU 26 HA LEU 26 2.116 -0.455 -3.839
158 HB2 LEU 26 1HB LEU 26 3.765 -1.953 -2.948
159 HB3 LEU 26 2HB LEU 26 4.809 -0.606 -2.498
160 HG LEU 26 HG LEU 26 3.143 0.089 -0.817
161 HD11 LEU 26 1HD1 LEU 26 1.157 -0.838 -1.917
162 HD12 LEU 26 2HD1 LEU 26 1.299 -1.381 -0.246
163 HD13 LEU 26 3HD1 LEU 26 1.731 -2.468 -1.566
164 HD21 LEU 26 3HD2 LEU 26 5.032 -1.439 -0.277
165 HD22 LEU 26 1HD2 LEU 26 3.937 -2.802 -0.506
166 HD23 LEU 26 2HD2 LEU 26 3.632 -1.632 0.778
167 H LEU 27 H LEU 27 4.894 1.710 -3.361
168 HA LEU 27 HA LEU 27 3.793 3.447 -1.511
169 HB2 LEU 27 1HB LEU 27 5.761 3.886 -3.735
170 HB3 LEU 27 2HB LEU 27 5.305 5.178 -2.627
171 HG LEU 27 HG LEU 27 6.585 2.571 -1.807
172 HD11 LEU 27 1HD1 LEU 27 7.721 5.284 -2.392
173 HD12 LEU 27 2HD1 LEU 27 8.256 3.708 -2.974
174 HD13 LEU 27 3HD1 LEU 27 8.522 4.163 -1.291
175 HD21 LEU 27 3HD2 LEU 27 5.456 4.875 -0.349
176 HD22 LEU 27 1HD2 LEU 27 7.016 4.279 0.220
177 HD23 LEU 27 2HD2 LEU 27 5.631 3.190 0.144
178 H VAL 28 H VAL 28 3.774 3.800 -5.060
179 HA VAL 28 HA VAL 28 2.241 6.113 -5.208
180 HB VAL 28 HB VAL 28 2.304 3.803 -7.155
181 HG11 VAL 28 1HG1 VAL 28 0.744 6.218 -7.124
182 HG12 VAL 28 2HG1 VAL 28 1.847 6.214 -8.502
183 HG13 VAL 28 3HG1 VAL 28 0.714 4.881 -8.273
184 HG21 VAL 28 3HG2 VAL 28 4.306 4.519 -7.813
185 HG22 VAL 28 1HG2 VAL 28 3.735 6.184 -7.932
186 HG23 VAL 28 2HG2 VAL 28 4.329 5.564 -6.392
187 H HIS 29 H HIS 29 1.236 2.749 -4.908
188 HA HIS 29 HA HIS 29 -1.501 3.083 -5.397
189 HB2 HIS 29 1HB HIS 29 -0.931 0.857 -5.352
190 HB3 HIS 29 2HB HIS 29 0.163 1.054 -3.987
191 HD1 HIS 29 HD1 HIS 29 -3.476 0.589 -4.800
192 HD2 HIS 29 HD2 HIS 29 -0.965 0.638 -1.490
193 HE1 HIS 29 HE1 HIS 29 -4.868 -0.266 -2.888
194 H GLN 30 H GLN 30 0.234 2.997 -2.284
195 HA GLN 30 HA GLN 30 -1.705 3.323 -0.466
196 HB2 GLN 30 1HB GLN 30 1.015 4.500 -0.694
197 HB3 GLN 30 2HB GLN 30 -0.039 5.146 0.557
198 HG2 GLN 30 1HG GLN 30 -0.018 3.224 1.769
199 HG3 GLN 30 2HG GLN 30 0.210 2.201 0.352
200 HE21 GLN 30 1HE2 GLN 30 2.240 1.683 -0.301
201 HE22 GLN 30 2HE2 GLN 30 3.670 2.125 0.562
202 H GLN 31 H GLN 31 -0.540 5.868 -2.622
203 HA GLN 31 HA GLN 31 -1.673 8.124 -1.692
204 HB2 GLN 31 1HB GLN 31 -1.714 7.120 -4.539
205 HB3 GLN 31 2HB GLN 31 -2.126 8.767 -4.081
206 HG2 GLN 31 1HG GLN 31 0.165 8.909 -3.029
207 HG3 GLN 31 2HG GLN 31 0.528 7.387 -3.840
208 HE21 GLN 31 1HE2 GLN 31 2.186 9.154 -4.582
209 HE22 GLN 31 2HE2 GLN 31 1.807 9.891 -6.098
210 H THR 32 H THR 32 -3.415 5.593 -3.469
211 HA THR 32 HA THR 32 -5.880 6.627 -3.815
212 HB THR 32 HB THR 32 -5.251 4.278 -4.341
213 HG1 THR 32 HG1 THR 32 -7.341 4.077 -4.535
214 HG21 THR 32 3HG2 THR 32 -5.337 2.561 -2.699
215 HG22 THR 32 1HG2 THR 32 -5.955 3.669 -1.474
216 HG23 THR 32 2HG2 THR 32 -4.294 3.824 -2.047
217 H HIS 33 H HIS 33 -4.659 5.317 -0.747
218 HA HIS 33 HA HIS 33 -6.987 5.661 0.763
219 HB2 HIS 33 1HB HIS 33 -4.081 5.702 1.591
220 HB3 HIS 33 2HB HIS 33 -5.420 5.701 2.735
221 HD1 HIS 33 HD1 HIS 33 -6.989 3.523 2.651
222 HD2 HIS 33 HD2 HIS 33 -3.347 3.235 0.672
223 HE1 HIS 33 HE1 HIS 33 -6.607 1.063 2.301
224 H ALA 34 H ALA 34 -4.370 7.894 0.005
225 HA ALA 34 HA ALA 34 -5.083 9.952 1.782
226 HB1 ALA 34 3HB ALA 34 -3.403 11.125 0.833
227 HB2 ALA 34 1HB ALA 34 -3.007 9.560 0.122
228 HB3 ALA 34 2HB ALA 34 -3.920 10.748 -0.810
229 H GLU 35 H GLU 35 -6.113 9.225 -1.518
230 HA GLU 35 HA GLU 35 -7.761 11.598 -1.669
231 HB2 GLU 35 1HB GLU 35 -6.525 10.430 -3.616
232 HB3 GLU 35 2HB GLU 35 -7.865 9.292 -3.594
233 HG2 GLU 35 1HG GLU 35 -8.241 10.993 -5.260
234 HG3 GLU 35 2HG GLU 35 -9.431 11.137 -3.967
235 H GLU 36 H GLU 36 -8.487 8.122 -2.036
236 HA GLU 36 HA GLU 36 -10.507 7.032 -1.807
237 HB2 GLU 36 1HB GLU 36 -9.868 8.301 0.834
238 HB3 GLU 36 2HB GLU 36 -11.329 7.340 0.650
239 HG2 GLU 36 1HG GLU 36 -8.676 6.237 -0.169
240 HG3 GLU 36 2HG GLU 36 -9.177 6.219 1.521
241 H LYS 37 H LYS 37 -10.848 9.558 -3.077
242 HA LYS 37 HA LYS 37 -12.774 11.243 -2.076
243 HB2 LYS 37 1HB LYS 37 -13.271 11.866 -4.333
244 HB3 LYS 37 2HB LYS 37 -11.554 11.494 -4.252
245 HG2 LYS 37 1HG LYS 37 -12.197 9.167 -5.080
246 HG3 LYS 37 2HG LYS 37 -13.761 9.880 -5.481
247 HD2 LYS 37 1HD LYS 37 -11.145 11.023 -6.438
248 HD3 LYS 37 2HD LYS 37 -12.056 9.816 -7.349
249 HE2 LYS 37 1HE LYS 37 -13.094 12.515 -6.489
250 HE3 LYS 37 2HE LYS 37 -12.523 12.109 -8.107
251 HZ1 LYS 37 3HZ LYS 37 -14.630 11.569 -8.515
252 HZ2 LYS 37 1HZ LYS 37 -15.055 11.569 -6.878
253 HZ3 LYS 37 2HZ LYS 37 -14.370 10.188 -7.573
254 HA PRO 38 HA PRO 38 -16.498 8.942 -1.690
255 HB2 PRO 38 1HB PRO 38 -18.320 10.920 -2.061
256 HB3 PRO 38 2HB PRO 38 -17.352 10.769 -0.590
257 HG2 PRO 38 1HG PRO 38 -16.935 12.554 -2.957
258 HG3 PRO 38 2HG PRO 38 -16.780 12.930 -1.231
259 HD2 PRO 38 1HD PRO 38 -14.639 12.419 -2.808
260 HD3 PRO 38 2HD PRO 38 -14.680 11.991 -1.085
261 H SER 39 H SER 39 -16.109 7.716 -3.672
262 HA SER 39 HA SER 39 -17.985 8.501 -5.797
263 HB2 SER 39 1HB SER 39 -16.460 7.744 -7.509
264 HB3 SER 39 2HB SER 39 -15.612 8.910 -6.494
265 HG SER 39 HG SER 39 -14.371 7.354 -5.705
266 H GLY 40 H GLY 40 -19.566 7.054 -5.838
267 HA2 GLY 40 1HA GLY 40 -20.649 5.028 -5.937
268 HA3 GLY 40 2HA GLY 40 -19.084 4.288 -6.241
269 HA PRO 41 HA PRO 41 -20.698 3.803 -1.704
270 HB2 PRO 41 1HB PRO 41 -22.484 1.769 -1.914
271 HB3 PRO 41 2HB PRO 41 -22.954 3.471 -1.990
272 HG2 PRO 41 1HG PRO 41 -22.516 1.525 -4.222
273 HG3 PRO 41 2HG PRO 41 -23.808 2.723 -4.020
274 HD2 PRO 41 1HD PRO 41 -21.671 3.141 -5.630
275 HD3 PRO 41 2HD PRO 41 -22.485 4.459 -4.762
276 H SER 42 H SER 42 -19.215 2.155 -4.138
277 HA SER 42 HA SER 42 -18.887 -0.450 -3.485
278 HB2 SER 42 1HB SER 42 -16.757 1.529 -4.314
279 HB3 SER 42 2HB SER 42 -16.494 -0.214 -4.257
280 HG SER 42 HG SER 42 -17.149 0.666 -6.345
281 H SER 43 H SER 43 -16.951 2.189 -2.068
282 HA SER 43 HA SER 43 -15.659 0.532 -0.169
283 HB2 SER 43 1HB SER 43 -14.911 2.635 0.860
284 HB3 SER 43 2HB SER 43 -14.722 2.690 -0.893
285 HG SER 43 HG SER 43 -16.808 3.795 -0.899
286 H GLY 44 H GLY 44 -17.333 -0.663 0.831
287 HA2 GLY 44 1HA GLY 44 -19.156 -1.002 2.242
288 HA3 GLY 44 2HA GLY 44 -18.110 -0.084 3.315