Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588689 | 2rut RC | 11474 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 22.825 -8.928 14.378
2 H2 GLY 1 2H GLY 1 23.420 -10.365 13.860
3 H3 GLY 1 3H GLY 1 21.937 -10.292 14.556
4 HA2 GLY 1 1HA GLY 1 22.675 -9.056 11.983
5 HA3 GLY 1 2HA GLY 1 21.730 -10.546 12.167
6 H SER 2 H SER 2 20.943 -8.055 10.851
7 HA SER 2 HA SER 2 19.154 -6.518 12.461
8 HB2 SER 2 1HB SER 2 19.141 -6.928 9.448
9 HB3 SER 2 2HB SER 2 18.338 -5.621 10.339
10 HG SER 2 HG SER 2 20.388 -4.981 9.505
11 H SER 3 H SER 3 16.909 -6.476 12.628
12 HA SER 3 HA SER 3 15.542 -9.044 12.521
13 HB2 SER 3 1HB SER 3 13.696 -7.765 13.583
14 HB3 SER 3 2HB SER 3 15.246 -7.607 14.427
15 HG SER 3 HG SER 3 14.179 -5.579 14.163
16 H GLY 4 H GLY 4 15.830 -6.495 10.256
17 HA2 GLY 4 1HA GLY 4 14.190 -7.723 8.271
18 HA3 GLY 4 2HA GLY 4 13.306 -6.379 9.004
19 H SER 5 H SER 5 13.460 -5.683 6.678
20 HA SER 5 HA SER 5 15.855 -3.954 6.218
21 HB2 SER 5 1HB SER 5 14.439 -5.624 4.107
22 HB3 SER 5 2HB SER 5 15.753 -4.474 3.817
23 HG SER 5 HG SER 5 17.114 -5.790 5.109
24 H SER 6 H SER 6 15.498 -2.029 5.153
25 HA SER 6 HA SER 6 12.748 -1.186 4.424
26 HB2 SER 6 1HB SER 6 14.458 0.148 6.561
27 HB3 SER 6 2HB SER 6 13.054 0.912 5.792
28 HG SER 6 HG SER 6 12.573 -0.165 7.795
29 H GLY 7 H GLY 7 12.692 0.908 3.361
30 HA2 GLY 7 1HA GLY 7 14.983 2.278 2.315
31 HA3 GLY 7 2HA GLY 7 14.418 1.072 1.150
32 H LYS 8 H LYS 8 13.480 2.348 -0.395
33 HA LYS 8 HA LYS 8 11.686 4.568 0.108
34 HB2 LYS 8 1HB LYS 8 13.008 4.159 -1.981
35 HB3 LYS 8 2HB LYS 8 11.960 2.803 -2.382
36 HG2 LYS 8 1HG LYS 8 10.828 5.585 -1.914
37 HG3 LYS 8 2HG LYS 8 11.600 5.176 -3.445
38 HD2 LYS 8 1HD LYS 8 9.987 3.390 -3.879
39 HD3 LYS 8 2HD LYS 8 9.221 3.655 -2.313
40 HE2 LYS 8 1HE LYS 8 8.948 6.133 -3.113
41 HE3 LYS 8 2HE LYS 8 9.254 5.484 -4.730
42 HZ1 LYS 8 3HZ LYS 8 6.883 5.515 -4.245
43 HZ2 LYS 8 1HZ LYS 8 7.097 4.662 -2.861
44 HZ3 LYS 8 2HZ LYS 8 7.351 3.944 -4.317
45 H ILE 9 H ILE 9 9.540 4.652 0.352
46 HA ILE 9 HA ILE 9 8.021 2.109 0.667
47 HB ILE 9 HB ILE 9 6.807 3.333 2.531
48 HG12 ILE 9 1HG1 ILE 9 8.102 5.009 3.798
49 HG13 ILE 9 2HG1 ILE 9 9.259 5.160 2.496
50 HG21 ILE 9 1HG2 ILE 9 8.409 1.493 2.865
51 HG22 ILE 9 2HG2 ILE 9 9.742 2.665 2.951
52 HG23 ILE 9 3HG2 ILE 9 8.465 2.671 4.182
53 HD11 ILE 9 3HD1 ILE 9 7.531 6.986 2.609
54 HD12 ILE 9 1HD1 ILE 9 7.579 6.168 1.045
55 HD13 ILE 9 2HD1 ILE 9 6.283 5.788 2.209
56 H PHE 10 H PHE 10 5.697 2.417 0.791
57 HA PHE 10 HA PHE 10 4.623 4.295 -1.292
58 HB2 PHE 10 1HB PHE 10 4.167 1.312 -0.863
59 HB3 PHE 10 2HB PHE 10 3.131 2.303 -1.862
60 HD1 PHE 10 2HD PHE 10 6.528 0.845 -1.574
61 HD2 PHE 10 1HD PHE 10 3.817 3.121 -4.040
62 HE1 PHE 10 2HE PHE 10 8.026 0.513 -3.530
63 HE2 PHE 10 1HE PHE 10 5.307 2.776 -5.996
64 HZ PHE 10 HZ PHE 10 7.394 1.452 -5.753
65 H THR 11 H THR 11 3.004 5.552 -0.520
66 HA THR 11 HA THR 11 1.797 4.861 2.119
67 HB THR 11 HB THR 11 1.830 7.602 0.847
68 HG1 THR 11 1HG THR 11 3.691 7.999 2.004
69 HG21 THR 11 3HG2 THR 11 1.595 6.561 3.711
70 HG22 THR 11 1HG2 THR 11 0.342 7.396 2.758
71 HG23 THR 11 2HG2 THR 11 1.783 8.276 3.282
72 H CYS 12 H CYS 12 -0.310 4.631 2.420
73 HA CYS 12 HA CYS 12 -2.260 4.676 0.295
74 HB2 CYS 12 1HB CYS 12 -2.273 3.147 2.229
75 HB3 CYS 12 2HB CYS 12 -2.493 4.528 3.320
76 H GLU 13 H GLU 13 -3.334 6.332 -0.515
77 HA GLU 13 HA GLU 13 -3.129 8.995 0.638
78 HB2 GLU 13 1HB GLU 13 -4.356 9.741 -1.293
79 HB3 GLU 13 2HB GLU 13 -3.101 8.607 -1.789
80 HG2 GLU 13 1HG GLU 13 -4.816 6.806 -1.975
81 HG3 GLU 13 2HG GLU 13 -6.067 7.964 -1.504
82 H TYR 14 H TYR 14 -5.149 6.430 1.400
83 HA TYR 14 HA TYR 14 -7.521 8.107 2.060
84 HB2 TYR 14 1HB TYR 14 -7.142 5.114 1.942
85 HB3 TYR 14 2HB TYR 14 -8.653 5.941 2.261
86 HD1 TYR 14 1HD TYR 14 -9.751 7.310 0.458
87 HD2 TYR 14 2HD TYR 14 -6.337 4.782 -0.331
88 HE1 TYR 14 1HE TYR 14 -10.296 7.329 -1.970
89 HE2 TYR 14 2HE TYR 14 -6.887 4.815 -2.760
90 HH TYR 14 HH TYR 14 -9.709 6.592 -4.061
91 H CYS 15 H CYS 15 -5.134 5.963 3.634
92 HA CYS 15 HA CYS 15 -6.076 6.968 6.273
93 HB2 CYS 15 1HB CYS 15 -5.938 4.832 7.293
94 HB3 CYS 15 2HB CYS 15 -7.070 4.788 5.947
95 H ASN 16 H ASN 16 -3.480 6.977 4.292
96 HA ASN 16 HA ASN 16 -1.297 7.417 4.484
97 HB2 ASN 16 1HB ASN 16 -2.042 8.487 7.216
98 HB3 ASN 16 2HB ASN 16 -0.536 8.802 6.366
99 HD21 ASN 16 1HD2 ASN 16 -3.983 9.545 6.430
100 HD22 ASN 16 2HD2 ASN 16 -3.877 10.823 5.229
101 H LYS 17 H LYS 17 -2.158 4.692 5.368
102 HA LYS 17 HA LYS 17 0.016 3.737 7.070
103 HB2 LYS 17 1HB LYS 17 -2.174 2.565 6.872
104 HB3 LYS 17 2HB LYS 17 -1.830 2.212 5.175
105 HG2 LYS 17 1HG LYS 17 0.072 0.820 5.781
106 HG3 LYS 17 2HG LYS 17 -0.032 1.328 7.477
107 HD2 LYS 17 1HD LYS 17 -2.188 0.207 7.735
108 HD3 LYS 17 2HD LYS 17 -2.209 -0.227 6.014
109 HE2 LYS 17 1HE LYS 17 -0.149 -1.567 6.307
110 HE3 LYS 17 2HE LYS 17 -0.064 -1.094 8.008
111 HZ1 LYS 17 3HZ LYS 17 -2.262 -2.696 6.805
112 HZ2 LYS 17 1HZ LYS 17 -2.176 -2.250 8.376
113 HZ3 LYS 17 2HZ LYS 17 -1.076 -3.282 7.760
114 H VAL 18 H VAL 18 1.926 2.840 6.436
115 HA VAL 18 HA VAL 18 2.746 3.206 3.597
116 HB VAL 18 HB VAL 18 5.122 3.222 4.658
117 HG11 VAL 18 1HG1 VAL 18 5.065 5.649 4.752
118 HG12 VAL 18 2HG1 VAL 18 4.108 5.048 3.392
119 HG13 VAL 18 3HG1 VAL 18 3.292 5.627 4.868
120 HG21 VAL 18 3HG2 VAL 18 4.338 2.811 7.019
121 HG22 VAL 18 1HG2 VAL 18 5.295 4.291 6.815
122 HG23 VAL 18 2HG2 VAL 18 3.532 4.404 6.965
123 H PHE 19 H PHE 19 3.819 1.745 2.502
124 HA PHE 19 HA PHE 19 4.316 -0.956 3.684
125 HB2 PHE 19 1HB PHE 19 3.226 -0.388 0.905
126 HB3 PHE 19 2HB PHE 19 3.516 -1.939 1.646
127 HD1 PHE 19 2HD PHE 19 1.351 1.122 1.914
128 HD2 PHE 19 1HD PHE 19 1.849 -3.040 2.912
129 HE1 PHE 19 2HE PHE 19 -0.937 1.083 2.884
130 HE2 PHE 19 1HE PHE 19 -0.461 -3.094 3.826
131 HZ PHE 19 HZ PHE 19 -1.841 -1.028 3.830
132 H LYS 20 H LYS 20 5.850 -2.254 2.522
133 HA LYS 20 HA LYS 20 8.208 -0.713 1.691
134 HB2 LYS 20 1HB LYS 20 7.775 -3.709 2.057
135 HB3 LYS 20 2HB LYS 20 9.332 -2.903 1.825
136 HG2 LYS 20 1HG LYS 20 8.954 -1.597 3.919
137 HG3 LYS 20 2HG LYS 20 7.420 -2.455 4.165
138 HD2 LYS 20 1HD LYS 20 8.622 -4.614 4.257
139 HD3 LYS 20 2HD LYS 20 10.171 -3.794 4.039
140 HE2 LYS 20 1HE LYS 20 8.255 -3.218 6.346
141 HE3 LYS 20 2HE LYS 20 9.522 -4.446 6.425
142 HZ1 LYS 20 3HZ LYS 20 10.295 -2.351 7.360
143 HZ2 LYS 20 1HZ LYS 20 10.032 -1.556 5.964
144 HZ3 LYS 20 2HZ LYS 20 11.179 -2.725 6.047
145 H PHE 21 H PHE 21 5.749 -2.479 0.017
146 HA PHE 21 HA PHE 21 7.201 -2.200 -2.570
147 HB2 PHE 21 1HB PHE 21 5.603 -4.629 -1.673
148 HB3 PHE 21 2HB PHE 21 6.419 -4.412 -3.212
149 HD1 PHE 21 2HD PHE 21 9.000 -4.150 -3.212
150 HD2 PHE 21 1HD PHE 21 6.753 -5.596 0.176
151 HE1 PHE 21 2HE PHE 21 11.068 -5.146 -2.260
152 HE2 PHE 21 1HE PHE 21 8.824 -6.585 1.126
153 HZ PHE 21 HZ PHE 21 10.984 -6.360 -0.090
154 H LYS 22 H LYS 22 5.943 -1.814 -4.365
155 HA LYS 22 HA LYS 22 3.651 -0.233 -4.045
156 HB2 LYS 22 1HB LYS 22 5.261 -0.273 -5.998
157 HB3 LYS 22 2HB LYS 22 4.478 -1.747 -6.567
158 HG2 LYS 22 1HG LYS 22 2.320 -0.543 -6.704
159 HG3 LYS 22 2HG LYS 22 3.095 0.942 -6.123
160 HD2 LYS 22 1HD LYS 22 4.589 0.938 -8.112
161 HD3 LYS 22 2HD LYS 22 3.797 -0.542 -8.700
162 HE2 LYS 22 1HE LYS 22 1.621 0.660 -8.784
163 HE3 LYS 22 2HE LYS 22 2.407 2.131 -8.195
164 HZ1 LYS 22 3HZ LYS 22 3.774 2.129 -10.217
165 HZ2 LYS 22 1HZ LYS 22 2.193 2.151 -10.615
166 HZ3 LYS 22 2HZ LYS 22 3.049 0.770 -10.761
167 H HIS 23 H HIS 23 3.749 -3.645 -5.120
168 HA HIS 23 HA HIS 23 0.960 -3.930 -5.563
169 HB2 HIS 23 1HB HIS 23 1.409 -6.339 -5.520
170 HB3 HIS 23 2HB HIS 23 2.604 -5.469 -6.470
171 HD1 HIS 23 1HD HIS 23 5.122 -5.891 -5.787
172 HD2 HIS 23 2HD HIS 23 2.268 -7.213 -2.988
173 HE1 HIS 23 1HE HIS 23 6.412 -7.164 -3.996
174 H SER 24 H SER 24 2.715 -3.875 -2.561
175 HA SER 24 HA SER 24 0.741 -5.292 -0.942
176 HB2 SER 24 1HB SER 24 3.298 -4.765 -0.453
177 HB3 SER 24 2HB SER 24 2.664 -3.245 0.154
178 HG SER 24 HG SER 24 2.052 -5.897 1.018
179 H LEU 25 H LEU 25 1.512 -1.850 -1.598
180 HA LEU 25 HA LEU 25 -0.700 -0.759 -0.132
181 HB2 LEU 25 1HB LEU 25 1.201 0.632 -0.685
182 HB3 LEU 25 2HB LEU 25 1.015 0.306 -2.410
183 HG LEU 25 HG LEU 25 -1.155 1.509 -2.435
184 HD11 LEU 25 1HD1 LEU 25 -1.873 2.825 -0.537
185 HD12 LEU 25 2HD1 LEU 25 -0.521 2.235 0.458
186 HD13 LEU 25 3HD1 LEU 25 -1.827 1.143 -0.054
187 HD21 LEU 25 3HD2 LEU 25 0.944 2.698 -2.919
188 HD22 LEU 25 1HD2 LEU 25 1.068 3.145 -1.198
189 HD23 LEU 25 2HD2 LEU 25 -0.279 3.749 -2.183
190 H GLN 26 H GLN 26 -0.299 -1.522 -3.633
191 HA GLN 26 HA GLN 26 -2.794 -0.501 -4.486
192 HB2 GLN 26 1HB GLN 26 -1.084 -2.748 -5.620
193 HB3 GLN 26 2HB GLN 26 -2.501 -2.108 -6.440
194 HG2 GLN 26 1HG GLN 26 -0.030 -0.475 -5.712
195 HG3 GLN 26 2HG GLN 26 -0.396 -1.136 -7.302
196 HE21 GLN 26 1HE2 GLN 26 -2.635 -0.362 -8.247
197 HE22 GLN 26 2HE2 GLN 26 -3.004 1.327 -7.930
198 H ALA 27 H ALA 27 -2.072 -3.707 -3.187
199 HA ALA 27 HA ALA 27 -4.739 -4.795 -3.533
200 HB1 ALA 27 1HB ALA 27 -2.427 -5.509 -1.689
201 HB2 ALA 27 2HB ALA 27 -3.845 -6.538 -2.006
202 HB3 ALA 27 3HB ALA 27 -2.702 -6.165 -3.324
203 H HIS 28 H HIS 28 -3.122 -2.988 -0.903
204 HA HIS 28 HA HIS 28 -5.219 -3.294 1.059
205 HB2 HIS 28 1HB HIS 28 -3.059 -2.721 1.824
206 HB3 HIS 28 2HB HIS 28 -2.871 -1.411 0.674
207 HD1 HIS 28 1HD HIS 28 -4.747 -2.166 3.954
208 HD2 HIS 28 2HD HIS 28 -3.777 0.976 1.336
209 HE1 HIS 28 1HE HIS 28 -5.388 -0.032 5.170
210 H LEU 29 H LEU 29 -4.752 -1.008 -1.653
211 HA LEU 29 HA LEU 29 -6.713 0.901 -0.972
212 HB2 LEU 29 1HB LEU 29 -6.181 -0.146 -3.777
213 HB3 LEU 29 2HB LEU 29 -6.899 1.400 -3.340
214 HG LEU 29 HG LEU 29 -4.043 0.519 -2.891
215 HD11 LEU 29 1HD1 LEU 29 -4.607 1.159 -5.171
216 HD12 LEU 29 2HD1 LEU 29 -3.508 2.332 -4.425
217 HD13 LEU 29 3HD1 LEU 29 -5.237 2.726 -4.586
218 HD21 LEU 29 3HD2 LEU 29 -5.462 3.079 -2.016
219 HD22 LEU 29 1HD2 LEU 29 -3.694 2.917 -2.102
220 HD23 LEU 29 2HD2 LEU 29 -4.614 1.920 -0.974
221 H ARG 30 H ARG 30 -7.258 -2.365 -2.110
222 HA ARG 30 HA ARG 30 -9.911 -2.091 -3.115
223 HB2 ARG 30 1HB ARG 30 -8.706 -4.515 -1.744
224 HB3 ARG 30 2HB ARG 30 -10.067 -4.480 -2.874
225 HG2 ARG 30 1HG ARG 30 -8.595 -3.758 -4.710
226 HG3 ARG 30 2HG ARG 30 -7.200 -3.730 -3.634
227 HD2 ARG 30 1HD ARG 30 -8.867 -6.190 -4.281
228 HD3 ARG 30 2HD ARG 30 -7.298 -5.785 -5.006
229 HE ARG 30 HE ARG 30 -6.887 -5.741 -2.233
230 HH11 ARG 30 2HH1 ARG 30 -7.731 -8.212 -4.574
231 HH12 ARG 30 1HH1 ARG 30 -7.093 -9.496 -3.584
232 HH21 ARG 30 2HH2 ARG 30 -6.155 -7.420 -1.000
233 HH22 ARG 30 1HH2 ARG 30 -6.203 -9.048 -1.613
234 H ILE 31 H ILE 31 -8.919 -1.894 0.187
235 HA ILE 31 HA ILE 31 -11.620 -2.445 1.236
236 HB ILE 31 HB ILE 31 -10.830 -2.116 3.351
237 HG12 ILE 31 1HG1 ILE 31 -8.465 -0.547 2.293
238 HG13 ILE 31 2HG1 ILE 31 -9.811 0.042 3.255
239 HG21 ILE 31 1HG2 ILE 31 -9.904 -4.126 2.135
240 HG22 ILE 31 2HG2 ILE 31 -8.367 -3.251 1.960
241 HG23 ILE 31 3HG2 ILE 31 -8.995 -3.651 3.570
242 HD11 ILE 31 3HD1 ILE 31 -7.618 -1.822 4.210
243 HD12 ILE 31 1HD1 ILE 31 -7.925 -0.145 4.696
244 HD13 ILE 31 2HD1 ILE 31 -9.077 -1.417 5.151
245 H HIS 32 H HIS 32 -9.858 0.272 0.045
246 HA HIS 32 HA HIS 32 -11.645 2.332 1.171
247 HB2 HIS 32 1HB HIS 32 -9.076 2.407 -0.469
248 HB3 HIS 32 2HB HIS 32 -9.918 3.814 0.093
249 HD1 HIS 32 1HD HIS 32 -10.271 3.587 3.069
250 HD2 HIS 32 2HD HIS 32 -7.028 1.922 0.985
251 HE1 HIS 32 1HE HIS 32 -8.381 3.409 4.759
252 H THR 33 H THR 33 -10.923 0.775 -1.931
253 HA THR 33 HA THR 33 -13.031 2.411 -3.285
254 HB THR 33 HB THR 33 -10.662 3.162 -3.771
255 HG1 THR 33 1HG THR 33 -11.185 3.454 -5.918
256 HG21 THR 33 3HG2 THR 33 -9.646 0.856 -4.026
257 HG22 THR 33 1HG2 THR 33 -9.340 1.949 -5.380
258 HG23 THR 33 2HG2 THR 33 -10.560 0.662 -5.526
259 H ASN 34 H ASN 34 -13.652 1.465 -5.433
260 HA ASN 34 HA ASN 34 -13.766 -1.500 -5.456
261 HB2 ASN 34 1HB ASN 34 -16.169 -1.547 -5.603
262 HB3 ASN 34 2HB ASN 34 -15.729 -0.667 -4.149
263 HD21 ASN 34 1HD2 ASN 34 -17.267 -0.433 -7.309
264 HD22 ASN 34 2HD2 ASN 34 -17.822 1.219 -7.092
265 H GLU 35 H GLU 35 -14.686 -2.374 -7.472
266 HA GLU 35 HA GLU 35 -14.441 -0.640 -9.874
267 HB2 GLU 35 1HB GLU 35 -12.208 -1.617 -9.350
268 HB3 GLU 35 2HB GLU 35 -12.903 -3.238 -9.458
269 HG2 GLU 35 1HG GLU 35 -13.421 -2.882 -11.839
270 HG3 GLU 35 2HG GLU 35 -12.890 -1.201 -11.729
271 H LYS 36 H LYS 36 -15.554 -1.382 -11.687
272 HA LYS 36 HA LYS 36 -17.146 -3.873 -11.573
273 HB2 LYS 36 1HB LYS 36 -18.536 -2.066 -10.561
274 HB3 LYS 36 2HB LYS 36 -18.387 -1.129 -12.055
275 HG2 LYS 36 1HG LYS 36 -19.493 -2.975 -13.313
276 HG3 LYS 36 2HG LYS 36 -19.646 -3.906 -11.824
277 HD2 LYS 36 1HD LYS 36 -20.916 -1.194 -12.404
278 HD3 LYS 36 2HD LYS 36 -21.750 -2.739 -12.482
279 HE2 LYS 36 1HE LYS 36 -20.536 -1.517 -9.959
280 HE3 LYS 36 2HE LYS 36 -22.236 -1.435 -10.416
281 HZ1 LYS 36 3HZ LYS 36 -21.866 -3.243 -8.865
282 HZ2 LYS 36 1HZ LYS 36 -20.763 -3.948 -9.835
283 HZ3 LYS 36 2HZ LYS 36 -22.330 -3.869 -10.295
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 23.718 -0.642 16.975
2 H2 GLY 1 2H GLY 1 22.099 -0.436 17.123
3 H3 GLY 1 3H GLY 1 23.086 0.868 17.072
4 HA2 GLY 1 1HA GLY 1 23.729 0.375 14.802
5 HA3 GLY 1 2HA GLY 1 22.649 -1.028 14.858
6 H SER 2 H SER 2 21.749 0.084 12.922
7 HA SER 2 HA SER 2 19.392 1.705 13.653
8 HB2 SER 2 1HB SER 2 21.100 3.403 13.147
9 HB3 SER 2 2HB SER 2 21.430 2.630 11.585
10 HG SER 2 HG SER 2 19.943 4.460 11.534
11 H SER 3 H SER 3 17.706 1.563 12.167
12 HA SER 3 HA SER 3 17.647 -0.701 10.320
13 HB2 SER 3 1HB SER 3 15.630 1.539 10.737
14 HB3 SER 3 2HB SER 3 15.340 0.001 9.910
15 HG SER 3 HG SER 3 15.699 -1.078 11.890
16 H GLY 4 H GLY 4 18.605 2.603 10.007
17 HA2 GLY 4 1HA GLY 4 19.370 3.809 8.193
18 HA3 GLY 4 2HA GLY 4 19.135 2.403 7.163
19 H SER 5 H SER 5 18.633 4.541 5.889
20 HA SER 5 HA SER 5 15.670 4.959 5.798
21 HB2 SER 5 1HB SER 5 16.115 7.328 5.298
22 HB3 SER 5 2HB SER 5 16.729 6.848 6.888
23 HG SER 5 HG SER 5 18.259 8.099 5.706
24 H SER 6 H SER 6 18.158 3.701 4.010
25 HA SER 6 HA SER 6 17.757 4.959 1.465
26 HB2 SER 6 1HB SER 6 19.026 2.268 2.081
27 HB3 SER 6 2HB SER 6 19.256 3.246 0.618
28 HG SER 6 HG SER 6 20.966 3.536 2.125
29 H GLY 7 H GLY 7 15.938 2.427 2.986
30 HA2 GLY 7 1HA GLY 7 15.101 0.973 0.637
31 HA3 GLY 7 2HA GLY 7 14.348 0.914 2.226
32 H LYS 8 H LYS 8 13.173 0.993 -0.484
33 HA LYS 8 HA LYS 8 11.740 3.540 -0.728
34 HB2 LYS 8 1HB LYS 8 11.365 0.828 -2.076
35 HB3 LYS 8 2HB LYS 8 10.388 2.244 -2.440
36 HG2 LYS 8 1HG LYS 8 13.400 2.040 -2.853
37 HG3 LYS 8 2HG LYS 8 12.153 1.900 -4.098
38 HD2 LYS 8 1HD LYS 8 11.378 4.243 -3.464
39 HD3 LYS 8 2HD LYS 8 12.837 4.395 -2.475
40 HE2 LYS 8 1HE LYS 8 12.773 3.795 -5.462
41 HE3 LYS 8 2HE LYS 8 13.010 5.396 -4.757
42 HZ1 LYS 8 3HZ LYS 8 15.042 4.559 -3.689
43 HZ2 LYS 8 1HZ LYS 8 15.136 4.390 -5.308
44 HZ3 LYS 8 2HZ LYS 8 14.843 3.087 -4.375
45 H ILE 9 H ILE 9 9.699 4.020 -0.255
46 HA ILE 9 HA ILE 9 7.925 2.013 0.982
47 HB ILE 9 HB ILE 9 7.128 3.594 2.681
48 HG12 ILE 9 1HG1 ILE 9 9.048 5.452 3.185
49 HG13 ILE 9 2HG1 ILE 9 9.145 5.461 1.441
50 HG21 ILE 9 1HG2 ILE 9 10.108 3.079 2.948
51 HG22 ILE 9 2HG2 ILE 9 8.924 3.300 4.249
52 HG23 ILE 9 3HG2 ILE 9 8.824 1.875 3.206
53 HD11 ILE 9 3HD1 ILE 9 6.627 5.939 3.102
54 HD12 ILE 9 1HD1 ILE 9 7.588 7.173 2.268
55 HD13 ILE 9 2HD1 ILE 9 6.691 5.972 1.326
56 H PHE 10 H PHE 10 5.715 2.506 0.922
57 HA PHE 10 HA PHE 10 4.777 4.485 -1.123
58 HB2 PHE 10 1HB PHE 10 4.095 1.525 -0.832
59 HB3 PHE 10 2HB PHE 10 3.159 2.650 -1.792
60 HD1 PHE 10 2HD PHE 10 6.496 0.997 -1.526
61 HD2 PHE 10 1HD PHE 10 3.828 3.340 -3.978
62 HE1 PHE 10 2HE PHE 10 7.954 0.597 -3.503
63 HE2 PHE 10 1HE PHE 10 5.271 2.915 -5.952
64 HZ PHE 10 HZ PHE 10 7.308 1.521 -5.727
65 H THR 11 H THR 11 2.935 5.617 -0.478
66 HA THR 11 HA THR 11 1.792 4.929 2.212
67 HB THR 11 HB THR 11 1.872 7.697 0.988
68 HG1 THR 11 1HG THR 11 3.988 7.148 1.209
69 HG21 THR 11 3HG2 THR 11 0.316 7.465 2.826
70 HG22 THR 11 1HG2 THR 11 1.747 8.318 3.425
71 HG23 THR 11 2HG2 THR 11 1.527 6.596 3.812
72 H CYS 12 H CYS 12 -0.319 4.692 2.460
73 HA CYS 12 HA CYS 12 -2.211 4.729 0.292
74 HB2 CYS 12 1HB CYS 12 -2.261 3.204 2.234
75 HB3 CYS 12 2HB CYS 12 -2.513 4.588 3.314
76 H GLU 13 H GLU 13 -3.277 6.386 -0.544
77 HA GLU 13 HA GLU 13 -3.112 9.043 0.621
78 HB2 GLU 13 1HB GLU 13 -4.297 9.791 -1.339
79 HB3 GLU 13 2HB GLU 13 -3.029 8.659 -1.809
80 HG2 GLU 13 1HG GLU 13 -4.737 6.854 -2.029
81 HG3 GLU 13 2HG GLU 13 -6.001 8.011 -1.590
82 H TYR 14 H TYR 14 -5.149 6.468 1.318
83 HA TYR 14 HA TYR 14 -7.548 8.125 1.912
84 HB2 TYR 14 1HB TYR 14 -7.119 5.136 1.845
85 HB3 TYR 14 2HB TYR 14 -8.649 5.938 2.136
86 HD1 TYR 14 1HD TYR 14 -9.774 7.231 0.310
87 HD2 TYR 14 2HD TYR 14 -6.254 4.833 -0.419
88 HE1 TYR 14 1HE TYR 14 -10.270 7.232 -2.135
89 HE2 TYR 14 2HE TYR 14 -6.747 4.857 -2.854
90 HH TYR 14 HH TYR 14 -8.172 5.555 -4.507
91 H CYS 15 H CYS 15 -5.160 6.059 3.578
92 HA CYS 15 HA CYS 15 -6.178 7.089 6.178
93 HB2 CYS 15 1HB CYS 15 -6.039 4.959 7.228
94 HB3 CYS 15 2HB CYS 15 -7.145 4.895 5.861
95 H ASN 16 H ASN 16 -3.530 7.074 4.254
96 HA ASN 16 HA ASN 16 -1.349 7.502 4.493
97 HB2 ASN 16 1HB ASN 16 -2.156 8.635 7.182
98 HB3 ASN 16 2HB ASN 16 -0.620 8.911 6.372
99 HD21 ASN 16 1HD2 ASN 16 -4.066 9.683 6.293
100 HD22 ASN 16 2HD2 ASN 16 -3.901 10.941 5.077
101 H LYS 17 H LYS 17 -2.250 4.809 5.369
102 HA LYS 17 HA LYS 17 -0.137 3.844 7.149
103 HB2 LYS 17 1HB LYS 17 -2.338 2.709 6.939
104 HB3 LYS 17 2HB LYS 17 -1.992 2.345 5.244
105 HG2 LYS 17 1HG LYS 17 -0.113 0.920 5.877
106 HG3 LYS 17 2HG LYS 17 -0.267 1.406 7.578
107 HD2 LYS 17 1HD LYS 17 -2.443 0.298 7.750
108 HD3 LYS 17 2HD LYS 17 -2.460 -0.017 6.014
109 HE2 LYS 17 1HE LYS 17 -1.872 -2.068 7.099
110 HE3 LYS 17 2HE LYS 17 -0.442 -1.468 6.254
111 HZ1 LYS 17 3HZ LYS 17 -0.947 -1.162 9.172
112 HZ2 LYS 17 1HZ LYS 17 0.401 -0.655 8.391
113 HZ3 LYS 17 2HZ LYS 17 0.073 -2.246 8.508
114 H VAL 18 H VAL 18 1.764 2.880 6.551
115 HA VAL 18 HA VAL 18 2.632 3.249 3.730
116 HB VAL 18 HB VAL 18 4.994 3.216 4.824
117 HG11 VAL 18 1HG1 VAL 18 3.177 5.636 5.013
118 HG12 VAL 18 2HG1 VAL 18 4.951 5.654 4.963
119 HG13 VAL 18 3HG1 VAL 18 4.043 5.072 3.561
120 HG21 VAL 18 3HG2 VAL 18 3.391 4.416 7.109
121 HG22 VAL 18 1HG2 VAL 18 4.161 2.802 7.172
122 HG23 VAL 18 2HG2 VAL 18 5.153 4.263 6.985
123 H PHE 19 H PHE 19 3.792 1.845 2.665
124 HA PHE 19 HA PHE 19 4.153 -0.936 3.694
125 HB2 PHE 19 1HB PHE 19 3.094 -0.097 0.963
126 HB3 PHE 19 2HB PHE 19 3.384 -1.738 1.525
127 HD1 PHE 19 2HD PHE 19 1.220 1.266 1.969
128 HD2 PHE 19 1HD PHE 19 1.765 -2.913 2.866
129 HE1 PHE 19 2HE PHE 19 -1.046 1.191 2.994
130 HE2 PHE 19 1HE PHE 19 -0.520 -3.002 3.840
131 HZ PHE 19 HZ PHE 19 -1.906 -0.943 3.932
132 H LYS 20 H LYS 20 5.647 -2.205 2.329
133 HA LYS 20 HA LYS 20 8.060 -0.620 1.723
134 HB2 LYS 20 1HB LYS 20 7.588 -3.605 1.977
135 HB3 LYS 20 2HB LYS 20 9.161 -2.819 1.713
136 HG2 LYS 20 1HG LYS 20 8.765 -1.452 3.811
137 HG3 LYS 20 2HG LYS 20 7.283 -2.377 4.082
138 HD2 LYS 20 1HD LYS 20 9.022 -3.263 5.464
139 HD3 LYS 20 2HD LYS 20 8.611 -4.461 4.221
140 HE2 LYS 20 1HE LYS 20 10.617 -3.796 2.917
141 HE3 LYS 20 2HE LYS 20 10.994 -2.550 4.114
142 HZ1 LYS 20 3HZ LYS 20 11.295 -4.322 5.762
143 HZ2 LYS 20 1HZ LYS 20 12.289 -4.570 4.493
144 HZ3 LYS 20 2HZ LYS 20 10.940 -5.474 4.658
145 H PHE 21 H PHE 21 5.650 -2.288 -0.142
146 HA PHE 21 HA PHE 21 7.199 -1.863 -2.650
147 HB2 PHE 21 1HB PHE 21 5.546 -4.326 -1.992
148 HB3 PHE 21 2HB PHE 21 6.495 -4.036 -3.436
149 HD1 PHE 21 2HD PHE 21 9.081 -3.759 -3.150
150 HD2 PHE 21 1HD PHE 21 6.499 -5.444 -0.134
151 HE1 PHE 21 2HE PHE 21 11.046 -4.819 -2.059
152 HE2 PHE 21 1HE PHE 21 8.466 -6.501 0.957
153 HZ PHE 21 HZ PHE 21 10.741 -6.188 -0.002
154 H LYS 22 H LYS 22 5.938 -1.625 -4.546
155 HA LYS 22 HA LYS 22 3.633 -0.010 -4.290
156 HB2 LYS 22 1HB LYS 22 5.225 -0.078 -6.241
157 HB3 LYS 22 2HB LYS 22 4.526 -1.625 -6.727
158 HG2 LYS 22 1HG LYS 22 2.304 -0.540 -6.912
159 HG3 LYS 22 2HG LYS 22 3.021 1.020 -6.463
160 HD2 LYS 22 1HD LYS 22 4.502 0.911 -8.462
161 HD3 LYS 22 2HD LYS 22 3.762 -0.638 -8.921
162 HE2 LYS 22 1HE LYS 22 1.543 0.476 -9.081
163 HE3 LYS 22 2HE LYS 22 2.282 2.017 -8.626
164 HZ1 LYS 22 3HZ LYS 22 2.952 0.466 -11.074
165 HZ2 LYS 22 1HZ LYS 22 3.634 1.890 -10.653
166 HZ3 LYS 22 2HZ LYS 22 2.051 1.825 -11.036
167 H HIS 23 H HIS 23 3.807 -3.452 -5.254
168 HA HIS 23 HA HIS 23 1.010 -3.794 -5.614
169 HB2 HIS 23 1HB HIS 23 1.539 -6.217 -5.568
170 HB3 HIS 23 2HB HIS 23 2.577 -5.287 -6.637
171 HD1 HIS 23 1HD HIS 23 5.155 -5.612 -6.273
172 HD2 HIS 23 2HD HIS 23 2.736 -6.977 -3.108
173 HE1 HIS 23 1HE HIS 23 6.711 -6.806 -4.645
174 H SER 24 H SER 24 2.864 -3.758 -2.680
175 HA SER 24 HA SER 24 0.976 -5.201 -0.993
176 HB2 SER 24 1HB SER 24 3.135 -3.168 -0.311
177 HB3 SER 24 2HB SER 24 2.211 -4.100 0.857
178 HG SER 24 HG SER 24 3.114 -6.004 -0.007
179 H LEU 25 H LEU 25 1.611 -1.728 -1.619
180 HA LEU 25 HA LEU 25 -0.611 -0.751 -0.062
181 HB2 LEU 25 1HB LEU 25 1.234 0.726 -0.607
182 HB3 LEU 25 2HB LEU 25 1.045 0.422 -2.335
183 HG LEU 25 HG LEU 25 -1.155 1.558 -2.331
184 HD11 LEU 25 1HD1 LEU 25 -1.782 1.117 0.066
185 HD12 LEU 25 2HD1 LEU 25 -1.947 2.790 -0.421
186 HD13 LEU 25 3HD1 LEU 25 -0.549 2.296 0.563
187 HD21 LEU 25 3HD2 LEU 25 1.026 3.235 -1.070
188 HD22 LEU 25 1HD2 LEU 25 -0.348 3.822 -2.029
189 HD23 LEU 25 2HD2 LEU 25 0.898 2.822 -2.799
190 H GLN 26 H GLN 26 -0.193 -1.567 -3.503
191 HA GLN 26 HA GLN 26 -2.705 -0.545 -4.407
192 HB2 GLN 26 1HB GLN 26 -0.839 -2.644 -5.529
193 HB3 GLN 26 2HB GLN 26 -2.321 -2.203 -6.359
194 HG2 GLN 26 1HG GLN 26 -0.185 -0.170 -5.574
195 HG3 GLN 26 2HG GLN 26 -0.239 -0.976 -7.137
196 HE21 GLN 26 1HE2 GLN 26 -0.461 1.936 -6.562
197 HE22 GLN 26 2HE2 GLN 26 -2.013 2.392 -7.247
198 H ALA 27 H ALA 27 -1.931 -3.724 -3.074
199 HA ALA 27 HA ALA 27 -4.586 -4.861 -3.417
200 HB1 ALA 27 1HB ALA 27 -2.536 -6.206 -3.148
201 HB2 ALA 27 2HB ALA 27 -2.285 -5.502 -1.531
202 HB3 ALA 27 3HB ALA 27 -3.694 -6.546 -1.836
203 H HIS 28 H HIS 28 -2.993 -2.980 -0.799
204 HA HIS 28 HA HIS 28 -5.122 -3.266 1.124
205 HB2 HIS 28 1HB HIS 28 -2.993 -2.626 1.908
206 HB3 HIS 28 2HB HIS 28 -2.825 -1.326 0.746
207 HD1 HIS 28 1HD HIS 28 -4.778 -2.094 3.985
208 HD2 HIS 28 2HD HIS 28 -3.739 1.045 1.388
209 HE1 HIS 28 1HE HIS 28 -5.464 0.041 5.173
210 H LEU 29 H LEU 29 -4.691 -1.026 -1.628
211 HA LEU 29 HA LEU 29 -6.736 0.825 -1.014
212 HB2 LEU 29 1HB LEU 29 -6.123 -0.232 -3.796
213 HB3 LEU 29 2HB LEU 29 -6.864 1.310 -3.380
214 HG LEU 29 HG LEU 29 -4.010 0.454 -2.886
215 HD11 LEU 29 1HD1 LEU 29 -5.163 2.655 -4.609
216 HD12 LEU 29 2HD1 LEU 29 -4.570 1.069 -5.177
217 HD13 LEU 29 3HD1 LEU 29 -3.443 2.221 -4.439
218 HD21 LEU 29 3HD2 LEU 29 -5.431 3.026 -2.062
219 HD22 LEU 29 1HD2 LEU 29 -3.664 2.847 -2.112
220 HD23 LEU 29 2HD2 LEU 29 -4.614 1.870 -0.990
221 H ARG 30 H ARG 30 -7.134 -2.484 -2.082
222 HA ARG 30 HA ARG 30 -9.737 -2.399 -3.203
223 HB2 ARG 30 1HB ARG 30 -8.427 -4.623 -1.577
224 HB3 ARG 30 2HB ARG 30 -9.846 -4.806 -2.609
225 HG2 ARG 30 1HG ARG 30 -8.515 -4.157 -4.601
226 HG3 ARG 30 2HG ARG 30 -7.072 -3.990 -3.599
227 HD2 ARG 30 1HD ARG 30 -7.209 -6.360 -2.946
228 HD3 ARG 30 2HD ARG 30 -8.676 -6.569 -3.898
229 HE ARG 30 HE ARG 30 -5.917 -6.455 -4.865
230 HH11 ARG 30 2HH1 ARG 30 -9.246 -6.132 -5.924
231 HH12 ARG 30 1HH1 ARG 30 -8.836 -6.452 -7.586
232 HH21 ARG 30 2HH2 ARG 30 -5.473 -6.842 -7.001
233 HH22 ARG 30 1HH2 ARG 30 -6.759 -6.843 -8.171
234 H ILE 31 H ILE 31 -8.880 -2.113 0.190
235 HA ILE 31 HA ILE 31 -11.619 -2.611 1.116
236 HB ILE 31 HB ILE 31 -10.902 -2.255 3.267
237 HG12 ILE 31 1HG1 ILE 31 -8.527 -0.674 2.245
238 HG13 ILE 31 2HG1 ILE 31 -9.889 -0.095 3.188
239 HG21 ILE 31 1HG2 ILE 31 -8.390 -3.384 1.964
240 HG22 ILE 31 2HG2 ILE 31 -9.071 -3.775 3.554
241 HG23 ILE 31 3HG2 ILE 31 -9.927 -4.269 2.094
242 HD11 ILE 31 3HD1 ILE 31 -8.014 -0.255 4.647
243 HD12 ILE 31 1HD1 ILE 31 -9.157 -1.533 5.101
244 HD13 ILE 31 2HD1 ILE 31 -7.686 -1.931 4.175
245 H HIS 32 H HIS 32 -9.793 0.157 0.048
246 HA HIS 32 HA HIS 32 -11.562 2.173 1.230
247 HB2 HIS 32 1HB HIS 32 -9.075 2.250 -0.527
248 HB3 HIS 32 2HB HIS 32 -9.935 3.681 -0.037
249 HD1 HIS 32 1HD HIS 32 -10.286 3.585 2.950
250 HD2 HIS 32 2HD HIS 32 -7.002 1.890 0.955
251 HE1 HIS 32 1HE HIS 32 -8.412 3.493 4.662
252 H THR 33 H THR 33 -10.876 0.877 -2.025
253 HA THR 33 HA THR 33 -13.115 2.507 -3.134
254 HB THR 33 HB THR 33 -10.976 2.831 -4.192
255 HG1 THR 33 1HG THR 33 -12.922 1.562 -5.788
256 HG21 THR 33 3HG2 THR 33 -11.128 -0.102 -4.972
257 HG22 THR 33 1HG2 THR 33 -9.853 0.743 -4.064
258 HG23 THR 33 2HG2 THR 33 -10.093 1.107 -5.771
259 H ASN 34 H ASN 34 -13.514 0.125 -1.466
260 HA ASN 34 HA ASN 34 -14.669 -1.979 -3.065
261 HB2 ASN 34 1HB ASN 34 -13.957 -2.186 -0.672
262 HB3 ASN 34 2HB ASN 34 -15.253 -1.086 -0.208
263 HD21 ASN 34 1HD2 ASN 34 -15.786 -2.985 1.213
264 HD22 ASN 34 2HD2 ASN 34 -16.828 -4.214 0.515
265 H GLU 35 H GLU 35 -16.763 -2.286 -3.741
266 HA GLU 35 HA GLU 35 -18.678 0.009 -3.582
267 HB2 GLU 35 1HB GLU 35 -19.397 -0.485 -5.825
268 HB3 GLU 35 2HB GLU 35 -17.658 -0.207 -5.799
269 HG2 GLU 35 1HG GLU 35 -17.255 -2.662 -5.882
270 HG3 GLU 35 2HG GLU 35 -18.994 -2.953 -5.882
271 H LYS 36 H LYS 36 -18.290 -2.983 -2.353
272 HA LYS 36 HA LYS 36 -20.995 -4.070 -2.780
273 HB2 LYS 36 1HB LYS 36 -18.653 -5.053 -1.113
274 HB3 LYS 36 2HB LYS 36 -20.173 -5.922 -1.349
275 HG2 LYS 36 1HG LYS 36 -19.784 -6.010 -3.788
276 HG3 LYS 36 2HG LYS 36 -18.250 -5.158 -3.602
277 HD2 LYS 36 1HD LYS 36 -18.896 -7.870 -2.372
278 HD3 LYS 36 2HD LYS 36 -17.989 -7.609 -3.870
279 HE2 LYS 36 1HE LYS 36 -16.297 -6.275 -2.600
280 HE3 LYS 36 2HE LYS 36 -17.170 -6.618 -1.102
281 HZ1 LYS 36 3HZ LYS 36 -15.342 -8.176 -1.427
282 HZ2 LYS 36 1HZ LYS 36 -15.942 -8.676 -2.859
283 HZ3 LYS 36 2HZ LYS 36 -16.755 -8.991 -1.476
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 9.966 3.243 10.007
2 H2 GLY 1 2H GLY 1 10.290 4.822 9.717
3 H3 GLY 1 3H GLY 1 10.845 3.669 8.692
4 HA2 GLY 1 1HA GLY 1 8.602 3.074 8.039
5 HA3 GLY 1 2HA GLY 1 8.003 4.333 9.134
6 H SER 2 H SER 2 7.352 6.092 8.010
7 HA SER 2 HA SER 2 8.305 6.781 5.364
8 HB2 SER 2 1HB SER 2 6.895 8.804 5.698
9 HB3 SER 2 2HB SER 2 6.039 7.282 5.983
10 HG SER 2 HG SER 2 5.623 8.853 7.620
11 H SER 3 H SER 3 9.260 8.829 4.784
12 HA SER 3 HA SER 3 11.012 10.195 4.673
13 HB2 SER 3 1HB SER 3 11.206 11.938 6.258
14 HB3 SER 3 2HB SER 3 9.506 11.499 6.095
15 HG SER 3 HG SER 3 10.013 10.082 8.035
16 H GLY 4 H GLY 4 11.682 7.429 5.688
17 HA2 GLY 4 1HA GLY 4 14.012 7.569 7.341
18 HA3 GLY 4 2HA GLY 4 13.572 6.238 6.276
19 H SER 5 H SER 5 16.222 7.188 6.798
20 HA SER 5 HA SER 5 17.171 8.821 4.593
21 HB2 SER 5 1HB SER 5 19.394 8.384 5.608
22 HB3 SER 5 2HB SER 5 18.200 9.015 6.752
23 HG SER 5 HG SER 5 19.389 7.234 7.612
24 H SER 6 H SER 6 16.493 5.486 4.772
25 HA SER 6 HA SER 6 17.864 4.987 2.200
26 HB2 SER 6 1HB SER 6 18.798 2.865 2.967
27 HB3 SER 6 2HB SER 6 19.458 4.218 3.895
28 HG SER 6 HG SER 6 18.859 2.466 5.247
29 H GLY 7 H GLY 7 17.139 2.988 1.145
30 HA2 GLY 7 1HA GLY 7 15.534 1.479 0.423
31 HA3 GLY 7 2HA GLY 7 14.707 1.638 1.968
32 H LYS 8 H LYS 8 12.855 1.404 0.504
33 HA LYS 8 HA LYS 8 11.701 4.027 -0.262
34 HB2 LYS 8 1HB LYS 8 12.684 3.118 -2.344
35 HB3 LYS 8 2HB LYS 8 11.881 1.577 -2.081
36 HG2 LYS 8 1HG LYS 8 10.755 2.800 -3.815
37 HG3 LYS 8 2HG LYS 8 9.675 2.630 -2.435
38 HD2 LYS 8 1HD LYS 8 10.082 4.986 -1.794
39 HD3 LYS 8 2HD LYS 8 11.327 5.125 -3.036
40 HE2 LYS 8 1HE LYS 8 9.308 6.201 -3.803
41 HE3 LYS 8 2HE LYS 8 9.651 4.795 -4.811
42 HZ1 LYS 8 3HZ LYS 8 7.695 4.780 -2.564
43 HZ2 LYS 8 1HZ LYS 8 7.923 3.579 -3.649
44 HZ3 LYS 8 2HZ LYS 8 7.282 4.998 -4.136
45 H ILE 9 H ILE 9 9.650 4.234 0.224
46 HA ILE 9 HA ILE 9 7.956 1.891 0.872
47 HB ILE 9 HB ILE 9 6.950 3.308 2.720
48 HG12 ILE 9 1HG1 ILE 9 8.635 4.889 3.813
49 HG13 ILE 9 2HG1 ILE 9 9.480 4.987 2.303
50 HG21 ILE 9 1HG2 ILE 9 8.593 2.583 4.345
51 HG22 ILE 9 2HG2 ILE 9 8.423 1.357 3.087
52 HG23 ILE 9 3HG2 ILE 9 9.839 2.433 3.092
53 HD11 ILE 9 3HD1 ILE 9 7.892 6.876 2.734
54 HD12 ILE 9 1HD1 ILE 9 7.531 6.029 1.229
55 HD13 ILE 9 2HD1 ILE 9 6.539 5.731 2.677
56 H PHE 10 H PHE 10 5.665 2.397 0.913
57 HA PHE 10 HA PHE 10 4.796 4.426 -1.121
58 HB2 PHE 10 1HB PHE 10 4.103 1.464 -0.890
59 HB3 PHE 10 2HB PHE 10 3.217 2.597 -1.886
60 HD1 PHE 10 2HD PHE 10 6.487 0.871 -1.487
61 HD2 PHE 10 1HD PHE 10 4.031 3.361 -4.012
62 HE1 PHE 10 2HE PHE 10 8.009 0.431 -3.405
63 HE2 PHE 10 1HE PHE 10 5.543 2.908 -5.929
64 HZ PHE 10 HZ PHE 10 7.501 1.414 -5.642
65 H THR 11 H THR 11 3.047 5.622 -0.466
66 HA THR 11 HA THR 11 1.806 4.911 2.157
67 HB THR 11 HB THR 11 1.894 7.667 0.916
68 HG1 THR 11 1HG THR 11 3.726 8.038 2.118
69 HG21 THR 11 3HG2 THR 11 0.351 7.486 2.764
70 HG22 THR 11 1HG2 THR 11 1.795 8.303 3.369
71 HG23 THR 11 2HG2 THR 11 1.542 6.586 3.752
72 H CYS 12 H CYS 12 -0.312 4.720 2.443
73 HA CYS 12 HA CYS 12 -2.235 4.761 0.311
74 HB2 CYS 12 1HB CYS 12 -2.294 3.321 2.312
75 HB3 CYS 12 2HB CYS 12 -2.501 4.754 3.335
76 H GLU 13 H GLU 13 -3.410 6.368 -0.502
77 HA GLU 13 HA GLU 13 -3.118 9.076 0.585
78 HB2 GLU 13 1HB GLU 13 -4.329 9.817 -1.362
79 HB3 GLU 13 2HB GLU 13 -3.071 8.679 -1.841
80 HG2 GLU 13 1HG GLU 13 -4.788 6.879 -2.032
81 HG3 GLU 13 2HG GLU 13 -6.041 8.045 -1.586
82 H TYR 14 H TYR 14 -5.172 6.499 1.291
83 HA TYR 14 HA TYR 14 -7.545 8.178 1.922
84 HB2 TYR 14 1HB TYR 14 -7.178 5.179 1.796
85 HB3 TYR 14 2HB TYR 14 -8.683 6.012 2.108
86 HD1 TYR 14 1HD TYR 14 -9.743 7.415 0.295
87 HD2 TYR 14 2HD TYR 14 -6.349 4.848 -0.463
88 HE1 TYR 14 1HE TYR 14 -10.247 7.462 -2.142
89 HE2 TYR 14 2HE TYR 14 -6.860 4.908 -2.899
90 HH TYR 14 HH TYR 14 -9.635 6.739 -4.229
91 H CYS 15 H CYS 15 -5.181 6.058 3.550
92 HA CYS 15 HA CYS 15 -6.132 7.131 6.159
93 HB2 CYS 15 1HB CYS 15 -6.047 5.017 7.240
94 HB3 CYS 15 2HB CYS 15 -7.161 4.951 5.880
95 H ASN 16 H ASN 16 -3.533 6.980 4.179
96 HA ASN 16 HA ASN 16 -1.334 7.308 4.346
97 HB2 ASN 16 1HB ASN 16 -1.871 8.624 6.995
98 HB3 ASN 16 2HB ASN 16 -0.556 8.947 5.863
99 HD21 ASN 16 1HD2 ASN 16 -2.051 9.073 3.380
100 HD22 ASN 16 2HD2 ASN 16 -3.024 10.528 3.524
101 H LYS 17 H LYS 17 -2.198 4.722 5.344
102 HA LYS 17 HA LYS 17 -0.043 3.841 7.124
103 HB2 LYS 17 1HB LYS 17 -2.231 2.665 6.989
104 HB3 LYS 17 2HB LYS 17 -1.913 2.256 5.300
105 HG2 LYS 17 1HG LYS 17 -0.017 0.867 5.923
106 HG3 LYS 17 2HG LYS 17 -0.095 1.426 7.605
107 HD2 LYS 17 1HD LYS 17 -2.261 0.334 7.918
108 HD3 LYS 17 2HD LYS 17 -2.303 -0.152 6.210
109 HE2 LYS 17 1HE LYS 17 -0.252 -1.501 6.526
110 HE3 LYS 17 2HE LYS 17 -0.151 -0.981 8.212
111 HZ1 LYS 17 3HZ LYS 17 -1.188 -3.166 8.031
112 HZ2 LYS 17 1HZ LYS 17 -2.373 -2.594 7.067
113 HZ3 LYS 17 2HZ LYS 17 -2.274 -2.105 8.624
114 H VAL 18 H VAL 18 1.845 2.826 6.491
115 HA VAL 18 HA VAL 18 2.657 3.196 3.653
116 HB VAL 18 HB VAL 18 5.038 3.186 4.697
117 HG11 VAL 18 1HG1 VAL 18 3.236 5.609 4.897
118 HG12 VAL 18 2HG1 VAL 18 5.008 5.607 4.771
119 HG13 VAL 18 3HG1 VAL 18 4.039 5.005 3.424
120 HG21 VAL 18 3HG2 VAL 18 3.482 4.405 7.010
121 HG22 VAL 18 1HG2 VAL 18 4.273 2.802 7.073
122 HG23 VAL 18 2HG2 VAL 18 5.242 4.272 6.844
123 H PHE 19 H PHE 19 3.755 1.770 2.557
124 HA PHE 19 HA PHE 19 4.085 -1.006 3.616
125 HB2 PHE 19 1HB PHE 19 3.064 -0.143 0.885
126 HB3 PHE 19 2HB PHE 19 3.285 -1.793 1.445
127 HD1 PHE 19 2HD PHE 19 1.232 1.287 1.873
128 HD2 PHE 19 1HD PHE 19 1.643 -2.895 2.831
129 HE1 PHE 19 2HE PHE 19 -1.006 1.317 2.951
130 HE2 PHE 19 1HE PHE 19 -0.612 -2.875 3.876
131 HZ PHE 19 HZ PHE 19 -1.912 -0.761 3.972
132 H LYS 20 H LYS 20 5.558 -2.330 2.368
133 HA LYS 20 HA LYS 20 8.041 -0.868 1.774
134 HB2 LYS 20 1HB LYS 20 7.401 -3.841 1.986
135 HB3 LYS 20 2HB LYS 20 9.027 -3.142 1.850
136 HG2 LYS 20 1HG LYS 20 8.622 -1.853 3.953
137 HG3 LYS 20 2HG LYS 20 7.038 -2.639 4.115
138 HD2 LYS 20 1HD LYS 20 8.112 -4.849 4.232
139 HD3 LYS 20 2HD LYS 20 9.714 -4.127 4.044
140 HE2 LYS 20 1HE LYS 20 7.794 -3.435 6.314
141 HE3 LYS 20 2HE LYS 20 8.986 -4.738 6.419
142 HZ1 LYS 20 3HZ LYS 20 10.739 -3.089 6.058
143 HZ2 LYS 20 1HZ LYS 20 9.861 -2.701 7.373
144 HZ3 LYS 20 2HZ LYS 20 9.647 -1.874 5.986
145 H PHE 21 H PHE 21 5.608 -2.405 -0.137
146 HA PHE 21 HA PHE 21 7.210 -2.057 -2.618
147 HB2 PHE 21 1HB PHE 21 5.515 -4.489 -1.922
148 HB3 PHE 21 2HB PHE 21 6.390 -4.214 -3.417
149 HD1 PHE 21 2HD PHE 21 8.961 -4.089 -3.352
150 HD2 PHE 21 1HD PHE 21 6.587 -5.508 -0.041
151 HE1 PHE 21 2HE PHE 21 10.971 -5.172 -2.370
152 HE2 PHE 21 1HE PHE 21 8.602 -6.574 0.946
153 HZ PHE 21 HZ PHE 21 10.795 -6.410 -0.219
154 H LYS 22 H LYS 22 5.966 -1.709 -4.507
155 HA LYS 22 HA LYS 22 3.707 -0.047 -4.175
156 HB2 LYS 22 1HB LYS 22 5.313 -0.091 -6.132
157 HB3 LYS 22 2HB LYS 22 4.509 -1.554 -6.709
158 HG2 LYS 22 1HG LYS 22 2.359 -0.315 -6.781
159 HG3 LYS 22 2HG LYS 22 3.183 1.159 -6.238
160 HD2 LYS 22 1HD LYS 22 4.619 1.103 -8.267
161 HD3 LYS 22 2HD LYS 22 3.775 -0.361 -8.821
162 HE2 LYS 22 1HE LYS 22 1.628 0.895 -8.854
163 HE3 LYS 22 2HE LYS 22 2.466 2.349 -8.297
164 HZ1 LYS 22 3HZ LYS 22 3.776 2.303 -10.355
165 HZ2 LYS 22 1HZ LYS 22 2.186 2.361 -10.709
166 HZ3 LYS 22 2HZ LYS 22 3.003 0.958 -10.871
167 H HIS 23 H HIS 23 3.773 -3.448 -5.294
168 HA HIS 23 HA HIS 23 0.978 -3.704 -5.685
169 HB2 HIS 23 1HB HIS 23 1.436 -6.150 -5.644
170 HB3 HIS 23 2HB HIS 23 2.492 -5.235 -6.707
171 HD1 HIS 23 1HD HIS 23 5.042 -5.692 -6.397
172 HD2 HIS 23 2HD HIS 23 2.645 -6.885 -3.146
173 HE1 HIS 23 1HE HIS 23 6.584 -6.919 -4.781
174 H SER 24 H SER 24 2.771 -3.753 -2.710
175 HA SER 24 HA SER 24 0.774 -5.156 -1.099
176 HB2 SER 24 1HB SER 24 3.089 -3.342 -0.337
177 HB3 SER 24 2HB SER 24 2.020 -4.157 0.803
178 HG SER 24 HG SER 24 3.829 -5.463 0.446
179 H LEU 25 H LEU 25 1.587 -1.703 -1.670
180 HA LEU 25 HA LEU 25 -0.617 -0.651 -0.138
181 HB2 LEU 25 1HB LEU 25 1.247 0.784 -0.699
182 HB3 LEU 25 2HB LEU 25 1.068 0.450 -2.423
183 HG LEU 25 HG LEU 25 -1.111 1.624 -2.461
184 HD11 LEU 25 1HD1 LEU 25 -1.887 2.920 -0.584
185 HD12 LEU 25 2HD1 LEU 25 -0.522 2.391 0.429
186 HD13 LEU 25 3HD1 LEU 25 -1.786 1.248 -0.071
187 HD21 LEU 25 3HD2 LEU 25 0.971 2.839 -2.931
188 HD22 LEU 25 1HD2 LEU 25 1.085 3.284 -1.208
189 HD23 LEU 25 2HD2 LEU 25 -0.266 3.877 -2.195
190 H GLN 26 H GLN 26 -0.230 -1.526 -3.581
191 HA GLN 26 HA GLN 26 -2.749 -0.480 -4.457
192 HB2 GLN 26 1HB GLN 26 -1.006 -2.688 -5.598
193 HB3 GLN 26 2HB GLN 26 -2.446 -2.098 -6.407
194 HG2 GLN 26 1HG GLN 26 -0.065 -0.333 -5.686
195 HG3 GLN 26 2HG GLN 26 -0.321 -1.087 -7.254
196 HE21 GLN 26 1HE2 GLN 26 -2.568 -0.498 -8.320
197 HE22 GLN 26 2HE2 GLN 26 -3.047 1.179 -8.100
198 H ALA 27 H ALA 27 -1.978 -3.669 -3.148
199 HA ALA 27 HA ALA 27 -4.641 -4.785 -3.436
200 HB1 ALA 27 1HB ALA 27 -3.740 -6.475 -1.869
201 HB2 ALA 27 2HB ALA 27 -2.599 -6.140 -3.199
202 HB3 ALA 27 3HB ALA 27 -2.319 -5.441 -1.584
203 H HIS 28 H HIS 28 -3.002 -2.925 -0.831
204 HA HIS 28 HA HIS 28 -5.094 -3.190 1.122
205 HB2 HIS 28 1HB HIS 28 -2.952 -2.534 1.862
206 HB3 HIS 28 2HB HIS 28 -2.815 -1.241 0.687
207 HD1 HIS 28 1HD HIS 28 -4.727 -2.003 3.951
208 HD2 HIS 28 2HD HIS 28 -3.725 1.131 1.335
209 HE1 HIS 28 1HE HIS 28 -5.409 0.133 5.140
210 H LEU 29 H LEU 29 -4.717 -0.950 -1.641
211 HA LEU 29 HA LEU 29 -6.760 0.892 -1.008
212 HB2 LEU 29 1HB LEU 29 -6.206 -0.209 -3.784
213 HB3 LEU 29 2HB LEU 29 -6.955 1.333 -3.378
214 HG LEU 29 HG LEU 29 -4.078 0.513 -2.939
215 HD11 LEU 29 1HD1 LEU 29 -5.327 2.652 -4.678
216 HD12 LEU 29 2HD1 LEU 29 -4.664 1.082 -5.223
217 HD13 LEU 29 3HD1 LEU 29 -3.589 2.301 -4.517
218 HD21 LEU 29 3HD2 LEU 29 -4.664 1.953 -1.048
219 HD22 LEU 29 1HD2 LEU 29 -5.503 3.089 -2.126
220 HD23 LEU 29 2HD2 LEU 29 -3.735 2.914 -2.201
221 H ARG 30 H ARG 30 -7.155 -2.430 -2.014
222 HA ARG 30 HA ARG 30 -9.832 -2.331 -3.003
223 HB2 ARG 30 1HB ARG 30 -8.423 -4.630 -1.593
224 HB3 ARG 30 2HB ARG 30 -9.846 -4.740 -2.632
225 HG2 ARG 30 1HG ARG 30 -8.564 -4.042 -4.592
226 HG3 ARG 30 2HG ARG 30 -7.123 -3.759 -3.609
227 HD2 ARG 30 1HD ARG 30 -7.097 -6.147 -2.952
228 HD3 ARG 30 2HD ARG 30 -8.486 -6.445 -4.020
229 HE ARG 30 HE ARG 30 -6.654 -5.241 -5.690
230 HH11 ARG 30 2HH1 ARG 30 -6.473 -8.112 -3.689
231 HH12 ARG 30 1HH1 ARG 30 -5.270 -8.856 -4.705
232 HH21 ARG 30 2HH2 ARG 30 -5.127 -6.253 -6.949
233 HH22 ARG 30 1HH2 ARG 30 -4.538 -7.828 -6.505
234 H ILE 31 H ILE 31 -8.822 -1.928 0.273
235 HA ILE 31 HA ILE 31 -11.509 -2.536 1.345
236 HB ILE 31 HB ILE 31 -10.741 -2.110 3.444
237 HG12 ILE 31 1HG1 ILE 31 -8.389 -0.539 2.359
238 HG13 ILE 31 2HG1 ILE 31 -9.763 0.068 3.267
239 HG21 ILE 31 1HG2 ILE 31 -8.246 -3.240 2.115
240 HG22 ILE 31 2HG2 ILE 31 -8.876 -3.595 3.734
241 HG23 ILE 31 3HG2 ILE 31 -9.765 -4.142 2.313
242 HD11 ILE 31 3HD1 ILE 31 -7.910 -0.029 4.754
243 HD12 ILE 31 1HD1 ILE 31 -9.049 -1.298 5.237
244 HD13 ILE 31 2HD1 ILE 31 -7.563 -1.717 4.346
245 H HIS 32 H HIS 32 -9.816 0.193 0.067
246 HA HIS 32 HA HIS 32 -11.617 2.235 1.191
247 HB2 HIS 32 1HB HIS 32 -9.101 2.317 -0.525
248 HB3 HIS 32 2HB HIS 32 -9.975 3.731 -0.016
249 HD1 HIS 32 1HD HIS 32 -10.298 3.612 2.970
250 HD2 HIS 32 2HD HIS 32 -7.011 1.974 0.932
251 HE1 HIS 32 1HE HIS 32 -8.400 3.547 4.658
252 H THR 33 H THR 33 -11.047 0.595 -1.892
253 HA THR 33 HA THR 33 -13.283 2.153 -3.129
254 HB THR 33 HB THR 33 -11.063 2.866 -3.981
255 HG1 THR 33 1HG THR 33 -11.763 2.826 -6.096
256 HG21 THR 33 3HG2 THR 33 -9.851 0.720 -4.014
257 HG22 THR 33 1HG2 THR 33 -9.890 1.455 -5.616
258 HG23 THR 33 2HG2 THR 33 -10.958 0.084 -5.242
259 H ASN 34 H ASN 34 -14.284 1.062 -5.004
260 HA ASN 34 HA ASN 34 -14.423 -1.888 -4.825
261 HB2 ASN 34 1HB ASN 34 -15.997 -0.831 -3.100
262 HB3 ASN 34 2HB ASN 34 -16.885 -0.126 -4.451
263 HD21 ASN 34 1HD2 ASN 34 -18.685 -1.388 -3.401
264 HD22 ASN 34 2HD2 ASN 34 -18.839 -3.082 -3.847
265 H GLU 35 H GLU 35 -15.871 -2.793 -6.547
266 HA GLU 35 HA GLU 35 -15.274 -1.565 -9.118
267 HB2 GLU 35 1HB GLU 35 -16.255 -3.529 -10.098
268 HB3 GLU 35 2HB GLU 35 -15.148 -3.977 -8.804
269 HG2 GLU 35 1HG GLU 35 -17.092 -4.354 -7.282
270 HG3 GLU 35 2HG GLU 35 -18.194 -3.911 -8.589
271 H LYS 36 H LYS 36 -16.800 -1.163 -10.816
272 HA LYS 36 HA LYS 36 -19.546 -0.347 -10.088
273 HB2 LYS 36 1HB LYS 36 -18.095 1.628 -9.656
274 HB3 LYS 36 2HB LYS 36 -17.460 1.523 -11.295
275 HG2 LYS 36 1HG LYS 36 -19.091 3.294 -11.156
276 HG3 LYS 36 2HG LYS 36 -19.708 2.027 -12.214
277 HD2 LYS 36 1HD LYS 36 -21.176 1.201 -10.394
278 HD3 LYS 36 2HD LYS 36 -20.493 2.412 -9.285
279 HE2 LYS 36 1HE LYS 36 -21.316 4.223 -10.777
280 HE3 LYS 36 2HE LYS 36 -21.984 3.015 -11.883
281 HZ1 LYS 36 3HZ LYS 36 -23.684 3.871 -10.377
282 HZ2 LYS 36 1HZ LYS 36 -22.843 3.398 -9.062
283 HZ3 LYS 36 2HZ LYS 36 -23.460 2.282 -10.085
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 8.125 10.851 9.933
2 H2 GLY 1 2H GLY 1 7.223 12.079 9.332
3 H3 GLY 1 3H GLY 1 6.498 10.688 9.806
4 HA2 GLY 1 1HA GLY 1 6.115 12.397 11.447
5 HA3 GLY 1 2HA GLY 1 7.102 11.080 12.104
6 H SER 2 H SER 2 8.407 12.126 13.561
7 HA SER 2 HA SER 2 9.508 14.735 13.221
8 HB2 SER 2 1HB SER 2 10.465 12.497 15.041
9 HB3 SER 2 2HB SER 2 10.794 14.230 15.227
10 HG SER 2 HG SER 2 9.042 13.537 16.546
11 H SER 3 H SER 3 10.661 11.683 12.032
12 HA SER 3 HA SER 3 12.971 13.009 10.745
13 HB2 SER 3 1HB SER 3 14.426 11.076 11.219
14 HB3 SER 3 2HB SER 3 13.944 11.930 12.692
15 HG SER 3 HG SER 3 13.766 9.652 12.922
16 H GLY 4 H GLY 4 13.786 11.797 8.881
17 HA2 GLY 4 1HA GLY 4 11.612 10.692 7.256
18 HA3 GLY 4 2HA GLY 4 13.257 11.032 6.736
19 H SER 5 H SER 5 11.458 8.647 6.390
20 HA SER 5 HA SER 5 12.770 6.427 7.768
21 HB2 SER 5 1HB SER 5 10.818 6.428 5.437
22 HB3 SER 5 2HB SER 5 11.339 5.009 6.365
23 HG SER 5 HG SER 5 9.345 5.846 7.137
24 H SER 6 H SER 6 14.085 4.819 6.867
25 HA SER 6 HA SER 6 15.770 5.593 4.585
26 HB2 SER 6 1HB SER 6 17.070 3.577 5.204
27 HB3 SER 6 2HB SER 6 16.902 4.755 6.514
28 HG SER 6 HG SER 6 16.528 2.598 7.226
29 H GLY 7 H GLY 7 16.187 4.233 2.782
30 HA2 GLY 7 1HA GLY 7 15.640 2.878 0.993
31 HA3 GLY 7 2HA GLY 7 14.631 1.923 2.074
32 H LYS 8 H LYS 8 13.342 1.760 0.073
33 HA LYS 8 HA LYS 8 11.621 4.087 -0.585
34 HB2 LYS 8 1HB LYS 8 12.527 2.876 -2.471
35 HB3 LYS 8 2HB LYS 8 11.942 1.341 -1.838
36 HG2 LYS 8 1HG LYS 8 10.558 2.074 -3.689
37 HG3 LYS 8 2HG LYS 8 9.619 2.008 -2.204
38 HD2 LYS 8 1HD LYS 8 9.856 4.513 -1.995
39 HD3 LYS 8 2HD LYS 8 10.707 4.531 -3.548
40 HE2 LYS 8 1HE LYS 8 8.775 3.798 -4.738
41 HE3 LYS 8 2HE LYS 8 7.987 3.217 -3.266
42 HZ1 LYS 8 3HZ LYS 8 7.653 5.437 -2.529
43 HZ2 LYS 8 1HZ LYS 8 7.050 5.327 -4.044
44 HZ3 LYS 8 2HZ LYS 8 8.477 6.088 -3.800
45 H ILE 9 H ILE 9 9.607 4.317 0.027
46 HA ILE 9 HA ILE 9 7.986 2.041 0.996
47 HB ILE 9 HB ILE 9 6.902 3.535 2.683
48 HG12 ILE 9 1HG1 ILE 9 9.402 5.262 2.570
49 HG13 ILE 9 2HG1 ILE 9 7.959 5.684 1.649
50 HG21 ILE 9 1HG2 ILE 9 9.833 2.915 3.225
51 HG22 ILE 9 2HG2 ILE 9 8.536 3.076 4.423
52 HG23 ILE 9 3HG2 ILE 9 8.508 1.736 3.271
53 HD11 ILE 9 3HD1 ILE 9 8.011 6.867 3.790
54 HD12 ILE 9 1HD1 ILE 9 6.607 5.795 3.664
55 HD13 ILE 9 2HD1 ILE 9 8.005 5.326 4.669
56 H PHE 10 H PHE 10 5.739 2.375 0.855
57 HA PHE 10 HA PHE 10 4.778 4.394 -1.142
58 HB2 PHE 10 1HB PHE 10 4.054 1.447 -0.828
59 HB3 PHE 10 2HB PHE 10 3.200 2.577 -1.857
60 HD1 PHE 10 2HD PHE 10 6.423 0.777 -1.399
61 HD2 PHE 10 1HD PHE 10 4.028 3.230 -4.015
62 HE1 PHE 10 2HE PHE 10 7.922 0.213 -3.302
63 HE2 PHE 10 1HE PHE 10 5.520 2.658 -5.915
64 HZ PHE 10 HZ PHE 10 7.437 1.121 -5.574
65 H THR 11 H THR 11 2.977 5.549 -0.459
66 HA THR 11 HA THR 11 1.817 4.829 2.215
67 HB THR 11 HB THR 11 2.038 7.618 1.049
68 HG1 THR 11 1HG THR 11 4.108 6.950 1.339
69 HG21 THR 11 3HG2 THR 11 1.855 8.192 3.510
70 HG22 THR 11 1HG2 THR 11 1.482 6.482 3.824
71 HG23 THR 11 2HG2 THR 11 0.400 7.476 2.802
72 H CYS 12 H CYS 12 -0.317 4.683 2.461
73 HA CYS 12 HA CYS 12 -2.191 4.784 0.297
74 HB2 CYS 12 1HB CYS 12 -2.312 3.325 2.278
75 HB3 CYS 12 2HB CYS 12 -2.509 4.750 3.316
76 H GLU 13 H GLU 13 -3.333 6.416 -0.520
77 HA GLU 13 HA GLU 13 -3.020 9.111 0.594
78 HB2 GLU 13 1HB GLU 13 -4.186 9.884 -1.367
79 HB3 GLU 13 2HB GLU 13 -2.939 8.728 -1.834
80 HG2 GLU 13 1HG GLU 13 -4.686 6.959 -2.061
81 HG3 GLU 13 2HG GLU 13 -5.925 8.147 -1.633
82 H TYR 14 H TYR 14 -5.126 6.558 1.240
83 HA TYR 14 HA TYR 14 -7.486 8.267 1.840
84 HB2 TYR 14 1HB TYR 14 -7.157 5.263 1.704
85 HB3 TYR 14 2HB TYR 14 -8.656 6.115 1.994
86 HD1 TYR 14 1HD TYR 14 -9.652 7.556 0.169
87 HD2 TYR 14 2HD TYR 14 -6.295 4.929 -0.538
88 HE1 TYR 14 1HE TYR 14 -10.102 7.628 -2.285
89 HE2 TYR 14 2HE TYR 14 -6.752 5.007 -2.979
90 HH TYR 14 HH TYR 14 -8.094 5.828 -4.645
91 H CYS 15 H CYS 15 -5.179 6.111 3.498
92 HA CYS 15 HA CYS 15 -6.152 7.189 6.097
93 HB2 CYS 15 1HB CYS 15 -6.141 5.067 7.166
94 HB3 CYS 15 2HB CYS 15 -7.232 5.037 5.786
95 H ASN 16 H ASN 16 -3.523 6.980 4.162
96 HA ASN 16 HA ASN 16 -1.316 7.231 4.368
97 HB2 ASN 16 1HB ASN 16 -1.842 8.529 7.029
98 HB3 ASN 16 2HB ASN 16 -0.504 8.823 5.917
99 HD21 ASN 16 1HD2 ASN 16 -1.968 9.039 3.420
100 HD22 ASN 16 2HD2 ASN 16 -2.887 10.529 3.577
101 H LYS 17 H LYS 17 -2.274 4.662 5.296
102 HA LYS 17 HA LYS 17 -0.194 3.689 7.116
103 HB2 LYS 17 1HB LYS 17 -2.430 2.590 6.876
104 HB3 LYS 17 2HB LYS 17 -2.024 2.152 5.212
105 HG2 LYS 17 1HG LYS 17 -0.202 0.728 5.965
106 HG3 LYS 17 2HG LYS 17 -0.354 1.322 7.629
107 HD2 LYS 17 1HD LYS 17 -2.564 0.291 7.844
108 HD3 LYS 17 2HD LYS 17 -2.515 -0.246 6.153
109 HE2 LYS 17 1HE LYS 17 -0.514 -1.623 6.633
110 HE3 LYS 17 2HE LYS 17 -0.503 -1.052 8.305
111 HZ1 LYS 17 3HZ LYS 17 -1.572 -3.220 8.132
112 HZ2 LYS 17 1HZ LYS 17 -2.685 -2.660 7.079
113 HZ3 LYS 17 2HZ LYS 17 -2.670 -2.121 8.623
114 H VAL 18 H VAL 18 1.666 2.598 6.510
115 HA VAL 18 HA VAL 18 2.602 3.087 3.727
116 HB VAL 18 HB VAL 18 4.935 3.073 4.891
117 HG11 VAL 18 1HG1 VAL 18 4.802 5.518 5.113
118 HG12 VAL 18 2HG1 VAL 18 4.023 4.922 3.640
119 HG13 VAL 18 3HG1 VAL 18 3.034 5.426 5.037
120 HG21 VAL 18 3HG2 VAL 18 3.247 4.209 7.147
121 HG22 VAL 18 1HG2 VAL 18 4.036 2.602 7.211
122 HG23 VAL 18 2HG2 VAL 18 5.014 4.077 7.071
123 H PHE 19 H PHE 19 3.799 1.734 2.646
124 HA PHE 19 HA PHE 19 4.141 -1.072 3.607
125 HB2 PHE 19 1HB PHE 19 3.084 -0.174 0.899
126 HB3 PHE 19 2HB PHE 19 3.316 -1.829 1.444
127 HD1 PHE 19 2HD PHE 19 1.227 1.216 1.810
128 HD2 PHE 19 1HD PHE 19 1.722 -2.912 2.941
129 HE1 PHE 19 2HE PHE 19 -1.018 1.243 2.890
130 HE2 PHE 19 1HE PHE 19 -0.540 -2.901 3.972
131 HZ PHE 19 HZ PHE 19 -1.888 -0.814 3.972
132 H LYS 20 H LYS 20 5.642 -2.324 2.315
133 HA LYS 20 HA LYS 20 8.057 -0.757 1.680
134 HB2 LYS 20 1HB LYS 20 7.582 -3.760 1.853
135 HB3 LYS 20 2HB LYS 20 9.158 -2.947 1.745
136 HG2 LYS 20 1HG LYS 20 8.538 -1.713 3.901
137 HG3 LYS 20 2HG LYS 20 7.133 -2.792 4.022
138 HD2 LYS 20 1HD LYS 20 8.705 -4.758 3.965
139 HD3 LYS 20 2HD LYS 20 10.071 -3.615 3.963
140 HE2 LYS 20 1HE LYS 20 9.268 -2.669 6.119
141 HE3 LYS 20 2HE LYS 20 7.922 -3.819 6.121
142 HZ1 LYS 20 3HZ LYS 20 9.770 -4.618 7.479
143 HZ2 LYS 20 1HZ LYS 20 10.798 -4.568 6.215
144 HZ3 LYS 20 2HZ LYS 20 9.554 -5.628 6.216
145 H PHE 21 H PHE 21 5.644 -2.431 -0.153
146 HA PHE 21 HA PHE 21 7.200 -2.107 -2.676
147 HB2 PHE 21 1HB PHE 21 5.464 -4.495 -1.958
148 HB3 PHE 21 2HB PHE 21 6.449 -4.282 -3.394
149 HD1 PHE 21 2HD PHE 21 9.037 -4.080 -3.064
150 HD2 PHE 21 1HD PHE 21 6.345 -5.583 -0.046
151 HE1 PHE 21 2HE PHE 21 10.946 -5.160 -1.895
152 HE2 PHE 21 1HE PHE 21 8.257 -6.648 1.128
153 HZ PHE 21 HZ PHE 21 10.559 -6.441 0.204
154 H LYS 22 H LYS 22 5.953 -1.813 -4.572
155 HA LYS 22 HA LYS 22 3.698 -0.138 -4.301
156 HB2 LYS 22 1HB LYS 22 5.285 -0.243 -6.259
157 HB3 LYS 22 2HB LYS 22 4.515 -1.752 -6.762
158 HG2 LYS 22 1HG LYS 22 2.345 -0.572 -6.942
159 HG3 LYS 22 2HG LYS 22 3.096 0.928 -6.392
160 HD2 LYS 22 1HD LYS 22 2.841 1.035 -8.784
161 HD3 LYS 22 2HD LYS 22 4.565 0.938 -8.399
162 HE2 LYS 22 1HE LYS 22 4.550 -1.489 -8.937
163 HE3 LYS 22 2HE LYS 22 2.814 -1.413 -9.267
164 HZ1 LYS 22 3HZ LYS 22 4.117 -1.268 -11.313
165 HZ2 LYS 22 1HZ LYS 22 4.905 0.059 -10.786
166 HZ3 LYS 22 2HZ LYS 22 3.301 0.127 -11.096
167 H HIS 23 H HIS 23 3.757 -3.584 -5.254
168 HA HIS 23 HA HIS 23 0.955 -3.851 -5.626
169 HB2 HIS 23 1HB HIS 23 1.379 -6.254 -5.601
170 HB3 HIS 23 2HB HIS 23 2.591 -5.410 -6.554
171 HD1 HIS 23 1HD HIS 23 5.115 -5.821 -5.821
172 HD2 HIS 23 2HD HIS 23 2.203 -7.180 -3.099
173 HE1 HIS 23 1HE HIS 23 6.368 -7.104 -4.012
174 H SER 24 H SER 24 2.786 -3.766 -2.686
175 HA SER 24 HA SER 24 0.832 -5.157 -0.993
176 HB2 SER 24 1HB SER 24 3.234 -3.399 -0.392
177 HB3 SER 24 2HB SER 24 2.156 -4.015 0.850
178 HG SER 24 HG SER 24 3.509 -5.652 -1.065
179 H LEU 25 H LEU 25 1.621 -1.712 -1.677
180 HA LEU 25 HA LEU 25 -0.578 -0.653 -0.127
181 HB2 LEU 25 1HB LEU 25 1.285 0.782 -0.710
182 HB3 LEU 25 2HB LEU 25 1.088 0.441 -2.430
183 HG LEU 25 HG LEU 25 -1.092 1.610 -2.451
184 HD11 LEU 25 1HD1 LEU 25 -1.755 1.236 -0.060
185 HD12 LEU 25 2HD1 LEU 25 -1.858 2.911 -0.569
186 HD13 LEU 25 3HD1 LEU 25 -0.489 2.379 0.436
187 HD21 LEU 25 3HD2 LEU 25 0.987 2.833 -2.929
188 HD22 LEU 25 1HD2 LEU 25 1.100 3.286 -1.210
189 HD23 LEU 25 2HD2 LEU 25 -0.255 3.867 -2.197
190 H GLN 26 H GLN 26 -0.187 -1.541 -3.563
191 HA GLN 26 HA GLN 26 -2.702 -0.511 -4.456
192 HB2 GLN 26 1HB GLN 26 -0.866 -2.648 -5.564
193 HB3 GLN 26 2HB GLN 26 -2.339 -2.186 -6.395
194 HG2 GLN 26 1HG GLN 26 -0.167 -0.181 -5.632
195 HG3 GLN 26 2HG GLN 26 -0.219 -1.017 -7.179
196 HE21 GLN 26 1HE2 GLN 26 -0.302 1.847 -6.907
197 HE22 GLN 26 2HE2 GLN 26 -1.873 2.349 -7.511
198 H ALA 27 H ALA 27 -1.934 -3.686 -3.103
199 HA ALA 27 HA ALA 27 -4.593 -4.811 -3.406
200 HB1 ALA 27 1HB ALA 27 -2.283 -5.425 -1.527
201 HB2 ALA 27 2HB ALA 27 -3.700 -6.470 -1.799
202 HB3 ALA 27 3HB ALA 27 -2.553 -6.158 -3.130
203 H HIS 28 H HIS 28 -2.970 -2.926 -0.804
204 HA HIS 28 HA HIS 28 -5.082 -3.164 1.130
205 HB2 HIS 28 1HB HIS 28 -2.949 -2.508 1.889
206 HB3 HIS 28 2HB HIS 28 -2.788 -1.230 0.701
207 HD1 HIS 28 1HD HIS 28 -4.724 -1.940 3.957
208 HD2 HIS 28 2HD HIS 28 -3.744 1.150 1.282
209 HE1 HIS 28 1HE HIS 28 -5.449 0.212 5.093
210 H LEU 29 H LEU 29 -4.670 -0.951 -1.648
211 HA LEU 29 HA LEU 29 -6.716 0.902 -1.047
212 HB2 LEU 29 1HB LEU 29 -6.111 -0.204 -3.810
213 HB3 LEU 29 2HB LEU 29 -6.873 1.336 -3.424
214 HG LEU 29 HG LEU 29 -4.005 0.531 -2.907
215 HD11 LEU 29 1HD1 LEU 29 -3.465 2.264 -4.507
216 HD12 LEU 29 2HD1 LEU 29 -5.191 2.672 -4.684
217 HD13 LEU 29 3HD1 LEU 29 -4.579 1.081 -5.213
218 HD21 LEU 29 3HD2 LEU 29 -5.481 3.098 -2.150
219 HD22 LEU 29 1HD2 LEU 29 -3.708 2.956 -2.191
220 HD23 LEU 29 2HD2 LEU 29 -4.642 1.988 -1.047
221 H ARG 30 H ARG 30 -7.105 -2.422 -2.013
222 HA ARG 30 HA ARG 30 -9.760 -2.331 -3.049
223 HB2 ARG 30 1HB ARG 30 -8.381 -4.617 -1.596
224 HB3 ARG 30 2HB ARG 30 -9.797 -4.734 -2.644
225 HG2 ARG 30 1HG ARG 30 -8.502 -4.044 -4.600
226 HG3 ARG 30 2HG ARG 30 -7.065 -3.768 -3.611
227 HD2 ARG 30 1HD ARG 30 -7.052 -6.155 -2.952
228 HD3 ARG 30 2HD ARG 30 -8.441 -6.447 -4.022
229 HE ARG 30 HE ARG 30 -6.567 -5.236 -5.666
230 HH11 ARG 30 2HH1 ARG 30 -6.515 -8.163 -3.740
231 HH12 ARG 30 1HH1 ARG 30 -5.335 -8.929 -4.769
232 HH21 ARG 30 2HH2 ARG 30 -5.074 -6.275 -6.943
233 HH22 ARG 30 1HH2 ARG 30 -4.551 -7.883 -6.537
234 H ILE 31 H ILE 31 -8.790 -1.893 0.235
235 HA ILE 31 HA ILE 31 -11.487 -2.479 1.287
236 HB ILE 31 HB ILE 31 -10.742 -2.026 3.388
237 HG12 ILE 31 1HG1 ILE 31 -8.368 -0.481 2.315
238 HG13 ILE 31 2HG1 ILE 31 -9.754 0.146 3.191
239 HG21 ILE 31 1HG2 ILE 31 -9.761 -4.076 2.293
240 HG22 ILE 31 2HG2 ILE 31 -8.237 -3.181 2.099
241 HG23 ILE 31 3HG2 ILE 31 -8.884 -3.514 3.717
242 HD11 ILE 31 3HD1 ILE 31 -7.582 -1.633 4.333
243 HD12 ILE 31 1HD1 ILE 31 -7.930 0.063 4.713
244 HD13 ILE 31 2HD1 ILE 31 -9.083 -1.196 5.191
245 H HIS 32 H HIS 32 -9.779 0.239 -0.005
246 HA HIS 32 HA HIS 32 -11.629 2.278 1.038
247 HB2 HIS 32 1HB HIS 32 -9.103 2.380 -0.664
248 HB3 HIS 32 2HB HIS 32 -10.003 3.782 -0.155
249 HD1 HIS 32 1HD HIS 32 -10.321 3.713 2.808
250 HD2 HIS 32 2HD HIS 32 -7.030 2.019 0.825
251 HE1 HIS 32 1HE HIS 32 -8.443 3.650 4.519
252 H THR 33 H THR 33 -11.082 0.469 -1.952
253 HA THR 33 HA THR 33 -12.689 2.118 -3.699
254 HB THR 33 HB THR 33 -12.840 0.039 -5.097
255 HG1 THR 33 1HG THR 33 -12.718 -1.529 -3.494
256 HG21 THR 33 3HG2 THR 33 -10.452 -0.119 -5.635
257 HG22 THR 33 1HG2 THR 33 -10.033 0.728 -4.137
258 HG23 THR 33 2HG2 THR 33 -10.944 1.573 -5.406
259 H ASN 34 H ASN 34 -14.795 1.601 -4.581
260 HA ASN 34 HA ASN 34 -16.742 0.807 -2.559
261 HB2 ASN 34 1HB ASN 34 -18.407 1.497 -4.099
262 HB3 ASN 34 2HB ASN 34 -17.109 2.673 -4.204
263 HD21 ASN 34 1HD2 ASN 34 -16.102 2.970 -6.260
264 HD22 ASN 34 2HD2 ASN 34 -16.557 2.010 -7.657
265 H GLU 35 H GLU 35 -18.470 -0.777 -3.020
266 HA GLU 35 HA GLU 35 -17.285 -3.339 -3.982
267 HB2 GLU 35 1HB GLU 35 -19.514 -2.813 -1.990
268 HB3 GLU 35 2HB GLU 35 -18.894 -4.404 -2.452
269 HG2 GLU 35 1HG GLU 35 -16.630 -3.752 -1.631
270 HG3 GLU 35 2HG GLU 35 -17.295 -2.221 -1.055
271 H LYS 36 H LYS 36 -18.880 -1.239 -5.603
272 HA LYS 36 HA LYS 36 -20.513 -1.035 -7.131
273 HB2 LYS 36 1HB LYS 36 -18.873 -2.635 -8.158
274 HB3 LYS 36 2HB LYS 36 -19.985 -3.952 -7.764
275 HG2 LYS 36 1HG LYS 36 -21.752 -2.814 -9.151
276 HG3 LYS 36 2HG LYS 36 -20.593 -1.526 -9.527
277 HD2 LYS 36 1HD LYS 36 -19.098 -3.181 -10.613
278 HD3 LYS 36 2HD LYS 36 -20.246 -4.480 -10.215
279 HE2 LYS 36 1HE LYS 36 -22.001 -3.327 -11.552
280 HE3 LYS 36 2HE LYS 36 -20.853 -2.045 -11.956
281 HZ1 LYS 36 3HZ LYS 36 -20.548 -4.905 -12.710
282 HZ2 LYS 36 1HZ LYS 36 -19.485 -3.721 -13.085
283 HZ3 LYS 36 2HZ LYS 36 -20.986 -3.704 -13.723
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 25.606 -3.523 12.253
2 H2 GLY 1 2H GLY 1 25.732 -3.660 10.627
3 H3 GLY 1 3H GLY 1 25.687 -5.006 11.562
4 HA2 GLY 1 1HA GLY 1 23.566 -4.710 10.483
5 HA3 GLY 1 2HA GLY 1 23.428 -4.539 12.243
6 H SER 2 H SER 2 21.487 -3.313 11.884
7 HA SER 2 HA SER 2 21.960 -0.423 11.459
8 HB2 SER 2 1HB SER 2 20.019 -0.220 9.966
9 HB3 SER 2 2HB SER 2 21.293 -1.216 9.249
10 HG SER 2 HG SER 2 19.166 -2.124 9.025
11 H SER 3 H SER 3 20.224 0.934 12.232
12 HA SER 3 HA SER 3 19.177 -0.009 14.766
13 HB2 SER 3 1HB SER 3 18.774 2.665 13.384
14 HB3 SER 3 2HB SER 3 18.525 2.314 15.102
15 HG SER 3 HG SER 3 20.752 1.907 15.303
16 H GLY 4 H GLY 4 17.772 -0.084 11.652
17 HA2 GLY 4 1HA GLY 4 15.277 -1.125 12.395
18 HA3 GLY 4 2HA GLY 4 15.051 0.619 12.254
19 H SER 5 H SER 5 13.511 -0.159 10.580
20 HA SER 5 HA SER 5 14.410 -1.267 8.078
21 HB2 SER 5 1HB SER 5 12.072 -1.358 8.988
22 HB3 SER 5 2HB SER 5 11.903 0.366 8.594
23 HG SER 5 HG SER 5 11.128 -0.994 6.912
24 H SER 6 H SER 6 14.498 -0.259 6.010
25 HA SER 6 HA SER 6 14.954 2.651 5.812
26 HB2 SER 6 1HB SER 6 17.225 2.398 4.945
27 HB3 SER 6 2HB SER 6 17.114 1.776 6.596
28 HG SER 6 HG SER 6 18.275 0.356 5.212
29 H GLY 7 H GLY 7 15.590 3.274 3.539
30 HA2 GLY 7 1HA GLY 7 15.450 3.091 1.212
31 HA3 GLY 7 2HA GLY 7 14.769 1.478 1.353
32 H LYS 8 H LYS 8 13.573 2.627 -0.482
33 HA LYS 8 HA LYS 8 11.590 4.638 0.110
34 HB2 LYS 8 1HB LYS 8 12.763 4.366 -2.042
35 HB3 LYS 8 2HB LYS 8 11.953 2.834 -2.333
36 HG2 LYS 8 1HG LYS 8 10.340 5.370 -1.900
37 HG3 LYS 8 2HG LYS 8 11.147 5.083 -3.440
38 HD2 LYS 8 1HD LYS 8 9.960 2.894 -3.660
39 HD3 LYS 8 2HD LYS 8 9.016 3.271 -2.224
40 HE2 LYS 8 1HE LYS 8 9.083 4.865 -4.825
41 HE3 LYS 8 2HE LYS 8 7.801 3.772 -4.298
42 HZ1 LYS 8 3HZ LYS 8 7.469 5.263 -2.357
43 HZ2 LYS 8 1HZ LYS 8 7.156 6.006 -3.786
44 HZ3 LYS 8 2HZ LYS 8 8.541 6.327 -2.987
45 H ILE 9 H ILE 9 9.505 4.567 0.474
46 HA ILE 9 HA ILE 9 8.054 1.979 0.716
47 HB ILE 9 HB ILE 9 6.870 3.097 2.677
48 HG12 ILE 9 1HG1 ILE 9 8.215 4.678 4.019
49 HG13 ILE 9 2HG1 ILE 9 9.350 4.893 2.715
50 HG21 ILE 9 1HG2 ILE 9 8.555 2.315 4.254
51 HG22 ILE 9 2HG2 ILE 9 8.464 1.224 2.867
52 HG23 ILE 9 3HG2 ILE 9 9.810 2.377 3.000
53 HD11 ILE 9 3HD1 ILE 9 7.689 6.044 1.370
54 HD12 ILE 9 1HD1 ILE 9 6.383 5.576 2.489
55 HD13 ILE 9 2HD1 ILE 9 7.635 6.727 2.996
56 H PHE 10 H PHE 10 5.706 2.263 0.804
57 HA PHE 10 HA PHE 10 4.730 4.298 -1.180
58 HB2 PHE 10 1HB PHE 10 4.050 1.347 -0.864
59 HB3 PHE 10 2HB PHE 10 3.189 2.459 -1.909
60 HD1 PHE 10 2HD PHE 10 6.448 0.734 -1.397
61 HD2 PHE 10 1HD PHE 10 4.043 3.150 -4.042
62 HE1 PHE 10 2HE PHE 10 8.011 0.246 -3.270
63 HE2 PHE 10 1HE PHE 10 5.594 2.643 -5.913
64 HZ PHE 10 HZ PHE 10 7.549 1.163 -5.542
65 H THR 11 H THR 11 3.098 5.566 -0.445
66 HA THR 11 HA THR 11 1.824 4.859 2.160
67 HB THR 11 HB THR 11 1.936 7.619 0.934
68 HG1 THR 11 1HG THR 11 3.782 7.959 2.135
69 HG21 THR 11 3HG2 THR 11 1.850 8.253 3.376
70 HG22 THR 11 1HG2 THR 11 1.635 6.535 3.775
71 HG23 THR 11 2HG2 THR 11 0.408 7.402 2.814
72 H CYS 12 H CYS 12 -0.287 4.657 2.416
73 HA CYS 12 HA CYS 12 -2.188 4.743 0.249
74 HB2 CYS 12 1HB CYS 12 -2.266 3.194 2.161
75 HB3 CYS 12 2HB CYS 12 -2.484 4.564 3.268
76 H GLU 13 H GLU 13 -3.223 6.435 -0.564
77 HA GLU 13 HA GLU 13 -3.007 9.071 0.648
78 HB2 GLU 13 1HB GLU 13 -4.166 9.879 -1.300
79 HB3 GLU 13 2HB GLU 13 -2.917 8.734 -1.786
80 HG2 GLU 13 1HG GLU 13 -4.658 6.966 -2.052
81 HG3 GLU 13 2HG GLU 13 -5.901 8.137 -1.597
82 H TYR 14 H TYR 14 -5.088 6.522 1.297
83 HA TYR 14 HA TYR 14 -7.459 8.211 1.916
84 HB2 TYR 14 1HB TYR 14 -7.085 5.217 1.798
85 HB3 TYR 14 2HB TYR 14 -8.600 6.041 2.103
86 HD1 TYR 14 1HD TYR 14 -9.692 7.401 0.298
87 HD2 TYR 14 2HD TYR 14 -6.223 4.942 -0.470
88 HE1 TYR 14 1HE TYR 14 -10.174 7.472 -2.148
89 HE2 TYR 14 2HE TYR 14 -6.707 5.026 -2.906
90 HH TYR 14 HH TYR 14 -8.105 5.797 -4.549
91 H CYS 15 H CYS 15 -5.108 6.077 3.547
92 HA CYS 15 HA CYS 15 -6.097 7.094 6.162
93 HB2 CYS 15 1HB CYS 15 -6.005 4.950 7.186
94 HB3 CYS 15 2HB CYS 15 -7.116 4.928 5.822
95 H ASN 16 H ASN 16 -3.457 7.049 4.233
96 HA ASN 16 HA ASN 16 -1.274 7.467 4.476
97 HB2 ASN 16 1HB ASN 16 -2.074 8.566 7.180
98 HB3 ASN 16 2HB ASN 16 -0.542 8.855 6.366
99 HD21 ASN 16 1HD2 ASN 16 -3.979 9.645 6.341
100 HD22 ASN 16 2HD2 ASN 16 -3.827 10.910 5.130
101 H LYS 17 H LYS 17 -2.182 4.758 5.352
102 HA LYS 17 HA LYS 17 -0.030 3.803 7.092
103 HB2 LYS 17 1HB LYS 17 -2.244 2.680 6.943
104 HB3 LYS 17 2HB LYS 17 -1.925 2.272 5.254
105 HG2 LYS 17 1HG LYS 17 -0.058 0.845 5.882
106 HG3 LYS 17 2HG LYS 17 -0.127 1.406 7.563
107 HD2 LYS 17 1HD LYS 17 -2.313 0.356 7.876
108 HD3 LYS 17 2HD LYS 17 -2.364 -0.132 6.170
109 HE2 LYS 17 1HE LYS 17 -0.340 -1.520 6.489
110 HE3 LYS 17 2HE LYS 17 -0.227 -0.996 8.174
111 HZ1 LYS 17 3HZ LYS 17 -1.305 -3.160 8.004
112 HZ2 LYS 17 1HZ LYS 17 -2.481 -2.569 7.039
113 HZ3 LYS 17 2HZ LYS 17 -2.369 -2.076 8.594
114 H VAL 18 H VAL 18 1.834 2.781 6.461
115 HA VAL 18 HA VAL 18 2.681 3.154 3.631
116 HB VAL 18 HB VAL 18 5.051 3.069 4.707
117 HG11 VAL 18 1HG1 VAL 18 4.130 4.932 3.442
118 HG12 VAL 18 2HG1 VAL 18 3.313 5.537 4.907
119 HG13 VAL 18 3HG1 VAL 18 5.086 5.492 4.819
120 HG21 VAL 18 3HG2 VAL 18 3.491 4.292 7.013
121 HG22 VAL 18 1HG2 VAL 18 4.235 2.668 7.060
122 HG23 VAL 18 2HG2 VAL 18 5.249 4.114 6.874
123 H PHE 19 H PHE 19 3.763 1.697 2.532
124 HA PHE 19 HA PHE 19 4.072 -1.070 3.621
125 HB2 PHE 19 1HB PHE 19 3.047 -0.249 0.885
126 HB3 PHE 19 2HB PHE 19 3.255 -1.889 1.462
127 HD1 PHE 19 2HD PHE 19 1.211 1.199 1.863
128 HD2 PHE 19 1HD PHE 19 1.629 -2.970 2.874
129 HE1 PHE 19 2HE PHE 19 -1.031 1.237 2.938
130 HE2 PHE 19 1HE PHE 19 -0.629 -2.944 3.910
131 HZ PHE 19 HZ PHE 19 -1.937 -0.833 3.973
132 H LYS 20 H LYS 20 5.548 -2.412 2.464
133 HA LYS 20 HA LYS 20 8.045 -1.010 1.866
134 HB2 LYS 20 1HB LYS 20 7.378 -3.981 1.987
135 HB3 LYS 20 2HB LYS 20 9.004 -3.272 1.941
136 HG2 LYS 20 1HG LYS 20 8.467 -2.056 4.090
137 HG3 LYS 20 2HG LYS 20 6.923 -2.932 4.149
138 HD2 LYS 20 1HD LYS 20 8.167 -5.102 4.182
139 HD3 LYS 20 2HD LYS 20 9.692 -4.218 4.079
140 HE2 LYS 20 1HE LYS 20 9.421 -4.844 6.354
141 HE3 LYS 20 2HE LYS 20 9.180 -3.099 6.255
142 HZ1 LYS 20 3HZ LYS 20 7.502 -4.189 7.650
143 HZ2 LYS 20 1HZ LYS 20 6.998 -5.120 6.411
144 HZ3 LYS 20 2HZ LYS 20 6.773 -3.498 6.367
145 H PHE 21 H PHE 21 5.613 -2.541 -0.076
146 HA PHE 21 HA PHE 21 7.233 -2.192 -2.547
147 HB2 PHE 21 1HB PHE 21 5.529 -4.619 -1.859
148 HB3 PHE 21 2HB PHE 21 6.428 -4.354 -3.342
149 HD1 PHE 21 2HD PHE 21 9.014 -4.157 -3.194
150 HD2 PHE 21 1HD PHE 21 6.557 -5.703 -0.004
151 HE1 PHE 21 2HE PHE 21 11.008 -5.239 -2.178
152 HE2 PHE 21 1HE PHE 21 8.555 -6.772 1.017
153 HZ PHE 21 HZ PHE 21 10.782 -6.542 -0.069
154 H LYS 22 H LYS 22 6.001 -1.901 -4.462
155 HA LYS 22 HA LYS 22 3.770 -0.196 -4.190
156 HB2 LYS 22 1HB LYS 22 5.382 -0.315 -6.134
157 HB3 LYS 22 2HB LYS 22 4.575 -1.791 -6.670
158 HG2 LYS 22 1HG LYS 22 2.435 -0.546 -6.816
159 HG3 LYS 22 2HG LYS 22 3.255 0.942 -6.305
160 HD2 LYS 22 1HD LYS 22 4.726 0.819 -8.308
161 HD3 LYS 22 2HD LYS 22 3.888 -0.660 -8.829
162 HE2 LYS 22 1HE LYS 22 1.745 0.598 -8.941
163 HE3 LYS 22 2HE LYS 22 2.577 2.068 -8.415
164 HZ1 LYS 22 3HZ LYS 22 3.925 1.953 -10.446
165 HZ2 LYS 22 1HZ LYS 22 2.341 2.002 -10.832
166 HZ3 LYS 22 2HZ LYS 22 3.158 0.594 -10.933
167 H HIS 23 H HIS 23 3.773 -3.615 -5.249
168 HA HIS 23 HA HIS 23 0.978 -3.822 -5.653
169 HB2 HIS 23 1HB HIS 23 1.393 -6.280 -5.564
170 HB3 HIS 23 2HB HIS 23 2.466 -5.401 -6.641
171 HD1 HIS 23 1HD HIS 23 5.013 -5.871 -6.306
172 HD2 HIS 23 2HD HIS 23 2.584 -7.000 -3.058
173 HE1 HIS 23 1HE HIS 23 6.535 -7.085 -4.663
174 H SER 24 H SER 24 2.761 -3.892 -2.667
175 HA SER 24 HA SER 24 0.734 -5.230 -1.050
176 HB2 SER 24 1HB SER 24 3.069 -3.434 -0.305
177 HB3 SER 24 2HB SER 24 1.987 -4.219 0.844
178 HG SER 24 HG SER 24 3.786 -5.550 0.506
179 H LEU 25 H LEU 25 1.585 -1.783 -1.655
180 HA LEU 25 HA LEU 25 -0.613 -0.710 -0.128
181 HB2 LEU 25 1HB LEU 25 1.259 0.715 -0.689
182 HB3 LEU 25 2HB LEU 25 1.082 0.377 -2.413
183 HG LEU 25 HG LEU 25 -1.091 1.559 -2.460
184 HD11 LEU 25 1HD1 LEU 25 -0.514 2.322 0.434
185 HD12 LEU 25 2HD1 LEU 25 -1.780 1.184 -0.074
186 HD13 LEU 25 3HD1 LEU 25 -1.873 2.857 -0.584
187 HD21 LEU 25 3HD2 LEU 25 0.994 2.775 -2.917
188 HD22 LEU 25 1HD2 LEU 25 1.102 3.213 -1.193
189 HD23 LEU 25 2HD2 LEU 25 -0.244 3.813 -2.185
190 H GLN 26 H GLN 26 -0.208 -1.585 -3.569
191 HA GLN 26 HA GLN 26 -2.698 -0.487 -4.464
192 HB2 GLN 26 1HB GLN 26 -0.965 -2.705 -5.609
193 HB3 GLN 26 2HB GLN 26 -2.386 -2.084 -6.433
194 HG2 GLN 26 1HG GLN 26 0.010 -0.365 -5.650
195 HG3 GLN 26 2HG GLN 26 -0.239 -1.088 -7.235
196 HE21 GLN 26 1HE2 GLN 26 -2.448 -0.440 -8.328
197 HE22 GLN 26 2HE2 GLN 26 -2.911 1.236 -8.079
198 H ALA 27 H ALA 27 -1.998 -3.696 -3.180
199 HA ALA 27 HA ALA 27 -4.672 -4.774 -3.511
200 HB1 ALA 27 1HB ALA 27 -2.639 -6.143 -3.270
201 HB2 ALA 27 2HB ALA 27 -2.366 -5.454 -1.651
202 HB3 ALA 27 3HB ALA 27 -3.788 -6.485 -1.949
203 H HIS 28 H HIS 28 -3.011 -3.015 -0.839
204 HA HIS 28 HA HIS 28 -5.131 -3.242 1.079
205 HB2 HIS 28 1HB HIS 28 -2.993 -2.626 1.860
206 HB3 HIS 28 2HB HIS 28 -2.809 -1.334 0.689
207 HD1 HIS 28 1HD HIS 28 -4.761 -2.058 3.937
208 HD2 HIS 28 2HD HIS 28 -3.748 1.050 1.291
209 HE1 HIS 28 1HE HIS 28 -5.470 0.091 5.089
210 H LEU 29 H LEU 29 -4.669 -0.961 -1.641
211 HA LEU 29 HA LEU 29 -6.670 0.919 -1.010
212 HB2 LEU 29 1HB LEU 29 -6.094 -0.181 -3.786
213 HB3 LEU 29 2HB LEU 29 -6.865 1.352 -3.397
214 HG LEU 29 HG LEU 29 -3.989 0.572 -2.888
215 HD11 LEU 29 1HD1 LEU 29 -3.492 2.360 -4.468
216 HD12 LEU 29 2HD1 LEU 29 -5.230 2.685 -4.670
217 HD13 LEU 29 3HD1 LEU 29 -4.535 1.124 -5.192
218 HD21 LEU 29 3HD2 LEU 29 -5.522 3.099 -2.099
219 HD22 LEU 29 1HD2 LEU 29 -3.745 3.020 -2.170
220 HD23 LEU 29 2HD2 LEU 29 -4.627 2.011 -1.021
221 H ARG 30 H ARG 30 -7.154 -2.382 -2.076
222 HA ARG 30 HA ARG 30 -9.784 -2.134 -3.122
223 HB2 ARG 30 1HB ARG 30 -8.569 -4.552 -1.744
224 HB3 ARG 30 2HB ARG 30 -9.952 -4.530 -2.854
225 HG2 ARG 30 1HG ARG 30 -8.541 -3.824 -4.717
226 HG3 ARG 30 2HG ARG 30 -7.133 -3.680 -3.664
227 HD2 ARG 30 1HD ARG 30 -7.266 -6.091 -3.135
228 HD3 ARG 30 2HD ARG 30 -8.638 -6.253 -4.254
229 HE ARG 30 HE ARG 30 -6.624 -5.057 -5.762
230 HH11 ARG 30 2HH2 ARG 30 -6.894 -8.111 -4.069
231 HH12 ARG 30 1HH2 ARG 30 -5.756 -8.903 -5.126
232 HH21 ARG 30 2HH1 ARG 30 -5.188 -6.129 -7.080
233 HH22 ARG 30 1HH1 ARG 30 -4.824 -7.803 -6.786
234 H ILE 31 H ILE 31 -8.828 -2.006 0.231
235 HA ILE 31 HA ILE 31 -11.537 -2.535 1.229
236 HB ILE 31 HB ILE 31 -10.791 -2.143 3.359
237 HG12 ILE 31 1HG1 ILE 31 -8.407 -0.591 2.311
238 HG13 ILE 31 2HG1 ILE 31 -9.778 0.024 3.219
239 HG21 ILE 31 1HG2 ILE 31 -8.954 -3.659 3.637
240 HG22 ILE 31 2HG2 ILE 31 -9.839 -4.170 2.199
241 HG23 ILE 31 3HG2 ILE 31 -8.304 -3.287 2.029
242 HD11 ILE 31 3HD1 ILE 31 -7.939 -0.122 4.718
243 HD12 ILE 31 1HD1 ILE 31 -9.098 -1.384 5.173
244 HD13 ILE 31 2HD1 ILE 31 -7.612 -1.810 4.285
245 H HIS 32 H HIS 32 -9.803 0.215 0.047
246 HA HIS 32 HA HIS 32 -11.661 2.230 1.103
247 HB2 HIS 32 1HB HIS 32 -9.133 2.376 -0.593
248 HB3 HIS 32 2HB HIS 32 -10.027 3.759 -0.048
249 HD1 HIS 32 1HD HIS 32 -10.309 3.645 2.916
250 HD2 HIS 32 2HD HIS 32 -7.049 1.980 0.862
251 HE1 HIS 32 1HE HIS 32 -8.405 3.564 4.595
252 H THR 33 H THR 33 -10.973 0.556 -1.986
253 HA THR 33 HA THR 33 -12.617 2.296 -3.621
254 HB THR 33 HB THR 33 -12.536 0.496 -5.293
255 HG1 THR 33 1HG THR 33 -11.511 -1.394 -4.847
256 HG21 THR 33 3HG2 THR 33 -10.134 0.393 -5.680
257 HG22 THR 33 1HG2 THR 33 -9.802 0.907 -4.021
258 HG23 THR 33 2HG2 THR 33 -10.591 2.027 -5.153
259 H ASN 34 H ASN 34 -13.330 -0.629 -1.750
260 HA ASN 34 HA ASN 34 -16.020 -0.901 -2.897
261 HB2 ASN 34 1HB ASN 34 -14.430 -2.486 -0.851
262 HB3 ASN 34 2HB ASN 34 -16.125 -2.811 -1.199
263 HD21 ASN 34 1HD2 ASN 34 -12.849 -3.057 -2.500
264 HD22 ASN 34 2HD2 ASN 34 -13.335 -3.996 -3.907
265 H GLU 35 H GLU 35 -17.935 -0.522 -1.985
266 HA GLU 35 HA GLU 35 -18.070 1.234 0.394
267 HB2 GLU 35 1HB GLU 35 -20.341 1.671 -0.255
268 HB3 GLU 35 2HB GLU 35 -19.246 1.994 -1.585
269 HG2 GLU 35 1HG GLU 35 -20.800 -0.623 -1.390
270 HG3 GLU 35 2HG GLU 35 -21.511 0.836 -2.054
271 H LYS 36 H LYS 36 -19.870 0.914 1.937
272 HA LYS 36 HA LYS 36 -20.436 -1.926 2.649
273 HB2 LYS 36 1HB LYS 36 -19.257 0.164 4.529
274 HB3 LYS 36 2HB LYS 36 -19.854 -1.432 4.999
275 HG2 LYS 36 1HG LYS 36 -18.134 -2.500 3.538
276 HG3 LYS 36 2HG LYS 36 -17.507 -0.891 3.130
277 HD2 LYS 36 1HD LYS 36 -17.024 -0.486 5.556
278 HD3 LYS 36 2HD LYS 36 -17.617 -2.112 5.918
279 HE2 LYS 36 1HE LYS 36 -15.235 -2.243 5.846
280 HE3 LYS 36 2HE LYS 36 -15.855 -3.070 4.415
281 HZ1 LYS 36 3HZ LYS 36 -13.980 -1.604 3.882
282 HZ2 LYS 36 1HZ LYS 36 -14.769 -0.298 4.452
283 HZ3 LYS 36 2HZ LYS 36 -15.312 -1.067 3.115
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 9.930 5.666 11.077
2 H2 GLY 1 2H GLY 1 9.339 6.070 12.551
3 H3 GLY 1 3H GLY 1 10.921 6.318 12.203
4 HA2 GLY 1 1HA GLY 1 8.656 7.698 10.914
5 HA3 GLY 1 2HA GLY 1 9.712 8.406 12.150
6 H SER 2 H SER 2 9.313 9.517 9.572
7 HA SER 2 HA SER 2 11.092 8.742 7.568
8 HB2 SER 2 1HB SER 2 10.072 11.552 8.119
9 HB3 SER 2 2HB SER 2 10.631 10.908 6.562
10 HG SER 2 HG SER 2 8.339 10.856 6.749
11 H SER 3 H SER 3 11.923 10.590 10.422
12 HA SER 3 HA SER 3 14.392 11.721 9.417
13 HB2 SER 3 1HB SER 3 13.529 11.210 12.284
14 HB3 SER 3 2HB SER 3 14.821 12.297 11.741
15 HG SER 3 HG SER 3 12.864 13.427 12.149
16 H GLY 4 H GLY 4 13.635 8.494 10.156
17 HA2 GLY 4 1HA GLY 4 16.208 7.608 11.226
18 HA3 GLY 4 2HA GLY 4 14.876 6.613 10.649
19 H SER 5 H SER 5 16.612 5.294 9.753
20 HA SER 5 HA SER 5 18.319 6.173 7.617
21 HB2 SER 5 1HB SER 5 18.659 4.139 9.050
22 HB3 SER 5 2HB SER 5 17.350 3.345 8.150
23 HG SER 5 HG SER 5 19.459 2.901 7.293
24 H SER 6 H SER 6 18.189 5.834 5.370
25 HA SER 6 HA SER 6 15.532 6.321 4.293
26 HB2 SER 6 1HB SER 6 16.746 6.741 2.177
27 HB3 SER 6 2HB SER 6 17.333 7.697 3.545
28 HG SER 6 HG SER 6 19.052 6.787 2.317
29 H GLY 7 H GLY 7 14.570 5.306 2.500
30 HA2 GLY 7 1HA GLY 7 15.350 2.958 1.178
31 HA3 GLY 7 2HA GLY 7 14.420 2.444 2.589
32 H LYS 8 H LYS 8 13.481 1.815 0.114
33 HA LYS 8 HA LYS 8 11.563 3.756 -0.906
34 HB2 LYS 8 1HB LYS 8 12.641 2.065 -2.356
35 HB3 LYS 8 2HB LYS 8 11.891 0.775 -1.429
36 HG2 LYS 8 1HG LYS 8 10.693 1.090 -3.505
37 HG3 LYS 8 2HG LYS 8 9.652 1.478 -2.146
38 HD2 LYS 8 1HD LYS 8 9.296 3.042 -3.967
39 HD3 LYS 8 2HD LYS 8 9.960 3.906 -2.582
40 HE2 LYS 8 1HE LYS 8 12.220 3.846 -3.623
41 HE3 LYS 8 2HE LYS 8 11.571 2.923 -4.985
42 HZ1 LYS 8 3HZ LYS 8 11.720 5.289 -5.508
43 HZ2 LYS 8 1HZ LYS 8 10.751 5.689 -4.260
44 HZ3 LYS 8 2HZ LYS 8 10.154 4.834 -5.519
45 H ILE 9 H ILE 9 9.561 4.122 -0.297
46 HA ILE 9 HA ILE 9 7.913 2.031 0.944
47 HB ILE 9 HB ILE 9 6.896 3.657 2.538
48 HG12 ILE 9 1HG1 ILE 9 9.404 5.350 2.216
49 HG13 ILE 9 2HG1 ILE 9 7.915 5.719 1.346
50 HG21 ILE 9 1HG2 ILE 9 8.511 1.892 3.225
51 HG22 ILE 9 2HG2 ILE 9 9.826 3.083 3.112
52 HG23 ILE 9 3HG2 ILE 9 8.517 3.303 4.288
53 HD11 ILE 9 3HD1 ILE 9 8.055 7.048 3.380
54 HD12 ILE 9 1HD1 ILE 9 6.672 5.944 3.438
55 HD13 ILE 9 2HD1 ILE 9 8.145 5.583 4.375
56 H PHE 10 H PHE 10 5.669 2.433 0.839
57 HA PHE 10 HA PHE 10 4.694 4.398 -1.198
58 HB2 PHE 10 1HB PHE 10 4.047 1.432 -0.900
59 HB3 PHE 10 2HB PHE 10 3.091 2.547 -1.852
60 HD1 PHE 10 2HD PHE 10 6.429 0.910 -1.621
61 HD2 PHE 10 1HD PHE 10 3.746 3.268 -4.038
62 HE1 PHE 10 2HE PHE 10 7.854 0.491 -3.616
63 HE2 PHE 10 1HE PHE 10 5.169 2.845 -6.028
64 HZ PHE 10 HZ PHE 10 7.202 1.438 -5.828
65 H THR 11 H THR 11 2.980 5.590 -0.453
66 HA THR 11 HA THR 11 1.801 4.861 2.204
67 HB THR 11 HB THR 11 1.952 7.631 0.994
68 HG1 THR 11 1HG THR 11 3.770 7.947 2.227
69 HG21 THR 11 3HG2 THR 11 1.550 6.546 3.823
70 HG22 THR 11 1HG2 THR 11 0.372 7.445 2.829
71 HG23 THR 11 2HG2 THR 11 1.817 8.261 3.437
72 H CYS 12 H CYS 12 -0.317 4.641 2.454
73 HA CYS 12 HA CYS 12 -2.205 4.711 0.291
74 HB2 CYS 12 1HB CYS 12 -2.275 3.186 2.235
75 HB3 CYS 12 2HB CYS 12 -2.518 4.576 3.312
76 H GLU 13 H GLU 13 -3.242 6.389 -0.549
77 HA GLU 13 HA GLU 13 -3.052 9.040 0.630
78 HB2 GLU 13 1HB GLU 13 -4.221 9.810 -1.330
79 HB3 GLU 13 2HB GLU 13 -2.958 8.673 -1.798
80 HG2 GLU 13 1HG GLU 13 -4.676 6.883 -2.048
81 HG3 GLU 13 2HG GLU 13 -5.935 8.042 -1.604
82 H TYR 14 H TYR 14 -5.115 6.487 1.314
83 HA TYR 14 HA TYR 14 -7.499 8.168 1.902
84 HB2 TYR 14 1HB TYR 14 -7.113 5.173 1.820
85 HB3 TYR 14 2HB TYR 14 -8.633 6.000 2.090
86 HD1 TYR 14 1HD TYR 14 -9.686 7.347 0.246
87 HD2 TYR 14 2HD TYR 14 -6.227 4.846 -0.427
88 HE1 TYR 14 1HE TYR 14 -10.142 7.368 -2.201
89 HE2 TYR 14 2HE TYR 14 -6.691 4.878 -2.873
90 HH TYR 14 HH TYR 14 -9.473 6.647 -4.271
91 H CYS 15 H CYS 15 -5.151 6.051 3.562
92 HA CYS 15 HA CYS 15 -6.162 7.082 6.165
93 HB2 CYS 15 1HB CYS 15 -6.065 4.948 7.205
94 HB3 CYS 15 2HB CYS 15 -7.163 4.905 5.830
95 H ASN 16 H ASN 16 -3.507 7.039 4.252
96 HA ASN 16 HA ASN 16 -1.323 7.440 4.501
97 HB2 ASN 16 1HB ASN 16 -2.121 8.557 7.198
98 HB3 ASN 16 2HB ASN 16 -0.584 8.828 6.390
99 HD21 ASN 16 1HD2 ASN 16 -4.019 9.639 6.333
100 HD22 ASN 16 2HD2 ASN 16 -3.847 10.903 5.124
101 H LYS 17 H LYS 17 -2.247 4.743 5.353
102 HA LYS 17 HA LYS 17 -0.135 3.764 7.129
103 HB2 LYS 17 1HB LYS 17 -2.347 2.641 6.924
104 HB3 LYS 17 2HB LYS 17 -1.992 2.252 5.237
105 HG2 LYS 17 1HG LYS 17 -0.129 0.829 5.890
106 HG3 LYS 17 2HG LYS 17 -0.245 1.364 7.577
107 HD2 LYS 17 1HD LYS 17 -2.436 0.298 7.812
108 HD3 LYS 17 2HD LYS 17 -2.426 -0.175 6.099
109 HE2 LYS 17 1HE LYS 17 -0.401 -1.547 6.471
110 HE3 LYS 17 2HE LYS 17 -0.343 -1.035 8.161
111 HZ1 LYS 17 3HZ LYS 17 -2.545 -2.624 6.949
112 HZ2 LYS 17 1HZ LYS 17 -2.485 -2.140 8.510
113 HZ3 LYS 17 2HZ LYS 17 -1.392 -3.208 7.945
114 H VAL 18 H VAL 18 1.752 2.776 6.526
115 HA VAL 18 HA VAL 18 2.633 3.172 3.709
116 HB VAL 18 HB VAL 18 4.988 3.131 4.812
117 HG11 VAL 18 1HG1 VAL 18 4.922 5.576 5.006
118 HG12 VAL 18 2HG1 VAL 18 4.054 4.999 3.575
119 HG13 VAL 18 3HG1 VAL 18 3.150 5.534 5.017
120 HG21 VAL 18 3HG2 VAL 18 4.149 2.689 7.154
121 HG22 VAL 18 1HG2 VAL 18 5.144 4.150 6.983
122 HG23 VAL 18 2HG2 VAL 18 3.381 4.306 7.107
123 H PHE 19 H PHE 19 3.752 1.771 2.629
124 HA PHE 19 HA PHE 19 4.164 -1.004 3.654
125 HB2 PHE 19 1HB PHE 19 3.092 -0.180 0.926
126 HB3 PHE 19 2HB PHE 19 3.371 -1.817 1.496
127 HD1 PHE 19 2HD PHE 19 1.226 1.199 1.921
128 HD2 PHE 19 1HD PHE 19 1.746 -2.972 2.858
129 HE1 PHE 19 2HE PHE 19 -1.031 1.156 2.972
130 HE2 PHE 19 1HE PHE 19 -0.529 -3.032 3.856
131 HZ PHE 19 HZ PHE 19 -1.899 -0.958 3.940
132 H LYS 20 H LYS 20 5.716 -2.231 2.317
133 HA LYS 20 HA LYS 20 8.066 -0.561 1.696
134 HB2 LYS 20 1HB LYS 20 7.720 -3.583 1.792
135 HB3 LYS 20 2HB LYS 20 9.257 -2.700 1.683
136 HG2 LYS 20 1HG LYS 20 8.626 -1.550 3.876
137 HG3 LYS 20 2HG LYS 20 7.262 -2.680 3.991
138 HD2 LYS 20 1HD LYS 20 8.889 -4.591 3.880
139 HD3 LYS 20 2HD LYS 20 10.222 -3.411 3.855
140 HE2 LYS 20 1HE LYS 20 9.455 -2.511 6.044
141 HE3 LYS 20 2HE LYS 20 8.142 -3.697 6.070
142 HZ1 LYS 20 3HZ LYS 20 9.824 -5.462 6.097
143 HZ2 LYS 20 1HZ LYS 20 10.049 -4.462 7.365
144 HZ3 LYS 20 2HZ LYS 20 11.039 -4.368 6.073
145 H PHE 21 H PHE 21 5.716 -2.330 -0.158
146 HA PHE 21 HA PHE 21 7.230 -1.850 -2.682
147 HB2 PHE 21 1HB PHE 21 5.638 -4.347 -2.023
148 HB3 PHE 21 2HB PHE 21 6.638 -4.057 -3.434
149 HD1 PHE 21 2HD PHE 21 9.213 -3.612 -2.977
150 HD2 PHE 21 1HD PHE 21 6.534 -5.508 -0.179
151 HE1 PHE 21 2HE PHE 21 11.156 -4.594 -1.778
152 HE2 PHE 21 1HE PHE 21 8.479 -6.481 1.022
153 HZ PHE 21 HZ PHE 21 10.792 -6.025 0.224
154 H LYS 22 H LYS 22 5.928 -1.766 -4.603
155 HA LYS 22 HA LYS 22 3.647 -0.113 -4.343
156 HB2 LYS 22 1HB LYS 22 5.171 -0.191 -6.318
157 HB3 LYS 22 2HB LYS 22 4.520 -1.775 -6.753
158 HG2 LYS 22 1HG LYS 22 2.270 -0.792 -6.984
159 HG3 LYS 22 2HG LYS 22 2.881 0.789 -6.483
160 HD2 LYS 22 1HD LYS 22 2.627 0.789 -8.879
161 HD3 LYS 22 2HD LYS 22 4.351 0.861 -8.488
162 HE2 LYS 22 1HE LYS 22 4.559 -1.574 -8.941
163 HE3 LYS 22 2HE LYS 22 2.825 -1.668 -9.276
164 HZ1 LYS 22 3HZ LYS 22 4.116 -1.475 -11.323
165 HZ2 LYS 22 1HZ LYS 22 4.777 -0.064 -10.843
166 HZ3 LYS 22 2HZ LYS 22 3.176 -0.154 -11.155
167 H HIS 23 H HIS 23 3.726 -3.550 -5.341
168 HA HIS 23 HA HIS 23 0.942 -3.866 -5.624
169 HB2 HIS 23 1HB HIS 23 1.358 -6.228 -5.674
170 HB3 HIS 23 2HB HIS 23 2.668 -5.412 -6.515
171 HD1 HIS 23 1HD HIS 23 2.021 -7.681 -3.542
172 HD2 HIS 23 2HD HIS 23 5.115 -5.347 -5.178
173 HE1 HIS 23 1HE HIS 23 4.164 -8.410 -2.371
174 H SER 24 H SER 24 2.878 -3.966 -2.723
175 HA SER 24 HA SER 24 1.003 -5.246 -0.949
176 HB2 SER 24 1HB SER 24 3.191 -3.208 -0.382
177 HB3 SER 24 2HB SER 24 2.309 -4.114 0.836
178 HG SER 24 HG SER 24 3.167 -6.040 -0.033
179 H LEU 25 H LEU 25 1.604 -1.771 -1.656
180 HA LEU 25 HA LEU 25 -0.593 -0.805 -0.046
181 HB2 LEU 25 1HB LEU 25 1.235 0.689 -0.613
182 HB3 LEU 25 2HB LEU 25 1.024 0.386 -2.338
183 HG LEU 25 HG LEU 25 -1.193 1.501 -2.292
184 HD11 LEU 25 1HD1 LEU 25 -1.955 2.731 -0.367
185 HD12 LEU 25 2HD1 LEU 25 -0.533 2.253 0.586
186 HD13 LEU 25 3HD1 LEU 25 -1.764 1.058 0.120
187 HD21 LEU 25 3HD2 LEU 25 -0.401 3.771 -2.010
188 HD22 LEU 25 1HD2 LEU 25 0.836 2.780 -2.807
189 HD23 LEU 25 2HD2 LEU 25 1.000 3.198 -1.082
190 H GLN 26 H GLN 26 -0.204 -1.623 -3.488
191 HA GLN 26 HA GLN 26 -2.717 -0.594 -4.388
192 HB2 GLN 26 1HB GLN 26 -0.896 -2.741 -5.496
193 HB3 GLN 26 2HB GLN 26 -2.368 -2.273 -6.323
194 HG2 GLN 26 1HG GLN 26 -0.184 -0.278 -5.572
195 HG3 GLN 26 2HG GLN 26 -0.245 -1.119 -7.116
196 HE21 GLN 26 1HE2 GLN 26 -0.326 1.759 -6.813
197 HE22 GLN 26 2HE2 GLN 26 -1.892 2.261 -7.432
198 H ALA 27 H ALA 27 -1.935 -3.787 -3.086
199 HA ALA 27 HA ALA 27 -4.573 -4.943 -3.368
200 HB1 ALA 27 1HB ALA 27 -2.494 -6.240 -3.088
201 HB2 ALA 27 2HB ALA 27 -2.248 -5.497 -1.486
202 HB3 ALA 27 3HB ALA 27 -3.632 -6.582 -1.756
203 H HIS 28 H HIS 28 -3.027 -2.952 -0.822
204 HA HIS 28 HA HIS 28 -5.151 -3.284 1.129
205 HB2 HIS 28 1HB HIS 28 -3.032 -2.666 1.943
206 HB3 HIS 28 2HB HIS 28 -2.821 -1.379 0.774
207 HD1 HIS 28 1HD HIS 28 -4.779 -2.082 4.013
208 HD2 HIS 28 2HD HIS 28 -3.780 1.010 1.347
209 HE1 HIS 28 1HE HIS 28 -5.467 0.074 5.165
210 H LEU 29 H LEU 29 -4.668 -1.044 -1.617
211 HA LEU 29 HA LEU 29 -6.682 0.836 -1.008
212 HB2 LEU 29 1HB LEU 29 -6.061 -0.224 -3.786
213 HB3 LEU 29 2HB LEU 29 -6.802 1.320 -3.379
214 HG LEU 29 HG LEU 29 -3.956 0.459 -2.832
215 HD11 LEU 29 1HD1 LEU 29 -3.357 2.209 -4.391
216 HD12 LEU 29 2HD1 LEU 29 -5.071 2.655 -4.591
217 HD13 LEU 29 3HD1 LEU 29 -4.482 1.062 -5.141
218 HD21 LEU 29 3HD2 LEU 29 -3.642 2.875 -2.078
219 HD22 LEU 29 1HD2 LEU 29 -4.594 1.893 -0.960
220 HD23 LEU 29 2HD2 LEU 29 -5.413 3.028 -2.051
221 H ARG 30 H ARG 30 -7.135 -2.454 -2.078
222 HA ARG 30 HA ARG 30 -9.772 -2.309 -3.130
223 HB2 ARG 30 1HB ARG 30 -8.517 -4.609 -1.593
224 HB3 ARG 30 2HB ARG 30 -9.885 -4.701 -2.709
225 HG2 ARG 30 1HG ARG 30 -8.442 -4.033 -4.600
226 HG3 ARG 30 2HG ARG 30 -7.044 -3.928 -3.532
227 HD2 ARG 30 1HD ARG 30 -8.676 -6.443 -4.055
228 HD3 ARG 30 2HD ARG 30 -7.110 -6.053 -4.793
229 HE ARG 30 HE ARG 30 -6.709 -5.869 -2.025
230 HH11 ARG 30 2HH1 ARG 30 -7.513 -8.462 -4.246
231 HH12 ARG 30 1HH1 ARG 30 -6.853 -9.687 -3.195
232 HH21 ARG 30 2HH2 ARG 30 -5.949 -7.472 -0.716
233 HH22 ARG 30 1HH2 ARG 30 -5.971 -9.129 -1.249
234 H ILE 31 H ILE 31 -8.830 -1.920 0.187
235 HA ILE 31 HA ILE 31 -11.540 -2.479 1.209
236 HB ILE 31 HB ILE 31 -10.791 -2.092 3.322
237 HG12 ILE 31 1HG1 ILE 31 -8.409 -0.532 2.287
238 HG13 ILE 31 2HG1 ILE 31 -9.789 0.078 3.183
239 HG21 ILE 31 1HG2 ILE 31 -8.290 -3.233 2.002
240 HG22 ILE 31 2HG2 ILE 31 -8.940 -3.602 3.609
241 HG23 ILE 31 3HG2 ILE 31 -9.819 -4.120 2.171
242 HD11 ILE 31 3HD1 ILE 31 -7.625 -1.745 4.271
243 HD12 ILE 31 1HD1 ILE 31 -7.960 -0.057 4.696
244 HD13 ILE 31 2HD1 ILE 31 -9.120 -1.321 5.145
245 H HIS 32 H HIS 32 -9.803 0.229 -0.034
246 HA HIS 32 HA HIS 32 -11.622 2.286 1.039
247 HB2 HIS 32 1HB HIS 32 -9.055 2.368 -0.600
248 HB3 HIS 32 2HB HIS 32 -9.929 3.777 -0.075
249 HD1 HIS 32 1HD HIS 32 -10.302 3.641 2.886
250 HD2 HIS 32 2HD HIS 32 -7.016 1.941 0.902
251 HE1 HIS 32 1HE HIS 32 -8.440 3.522 4.611
252 H THR 33 H THR 33 -11.021 0.567 -1.999
253 HA THR 33 HA THR 33 -12.284 2.390 -3.798
254 HB THR 33 HB THR 33 -12.608 0.327 -5.242
255 HG1 THR 33 1HG THR 33 -12.698 -1.209 -3.558
256 HG21 THR 33 3HG2 THR 33 -10.594 1.677 -5.482
257 HG22 THR 33 1HG2 THR 33 -10.192 -0.048 -5.615
258 HG23 THR 33 2HG2 THR 33 -9.824 0.837 -4.122
259 H ASN 34 H ASN 34 -14.316 2.431 -4.758
260 HA ASN 34 HA ASN 34 -16.509 0.787 -3.682
261 HB2 ASN 34 1HB ASN 34 -16.247 2.884 -2.232
262 HB3 ASN 34 2HB ASN 34 -16.651 3.834 -3.662
263 HD21 ASN 34 1HD2 ASN 34 -18.405 4.571 -2.109
264 HD22 ASN 34 2HD2 ASN 34 -19.868 3.598 -2.057
265 H GLU 35 H GLU 35 -18.499 1.031 -4.976
266 HA GLU 35 HA GLU 35 -17.894 1.209 -7.846
267 HB2 GLU 35 1HB GLU 35 -20.090 0.286 -8.193
268 HB3 GLU 35 2HB GLU 35 -19.200 -0.659 -7.005
269 HG2 GLU 35 1HG GLU 35 -20.477 0.453 -5.170
270 HG3 GLU 35 2HG GLU 35 -21.374 1.388 -6.369
271 H LYS 36 H LYS 36 -19.260 2.334 -9.362
272 HA LYS 36 HA LYS 36 -20.512 4.881 -8.463
273 HB2 LYS 36 1HB LYS 36 -18.368 4.594 -10.614
274 HB3 LYS 36 2HB LYS 36 -19.344 6.036 -10.369
275 HG2 LYS 36 1HG LYS 36 -17.400 4.886 -8.315
276 HG3 LYS 36 2HG LYS 36 -17.065 6.215 -9.422
277 HD2 LYS 36 1HD LYS 36 -18.890 7.555 -8.404
278 HD3 LYS 36 2HD LYS 36 -19.212 6.242 -7.253
279 HE2 LYS 36 1HE LYS 36 -16.894 6.406 -6.399
280 HE3 LYS 36 2HE LYS 36 -16.559 7.713 -7.543
281 HZ1 LYS 36 3HZ LYS 36 -18.586 7.833 -5.372
282 HZ2 LYS 36 1HZ LYS 36 -18.272 9.040 -6.428
283 HZ3 LYS 36 2HZ LYS 36 -17.137 8.583 -5.350
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 25.939 5.354 -1.220
2 H2 GLY 1 2H GLY 1 26.543 6.619 -0.374
3 H3 GLY 1 3H GLY 1 25.704 6.884 -1.756
4 HA2 GLY 1 1HA GLY 1 24.337 7.412 0.153
5 HA3 GLY 1 2HA GLY 1 23.675 6.057 -0.780
6 H SER 2 H SER 2 23.404 6.796 2.125
7 HA SER 2 HA SER 2 24.890 4.831 3.666
8 HB2 SER 2 1HB SER 2 23.451 5.666 5.527
9 HB3 SER 2 2HB SER 2 24.348 6.929 4.667
10 HG SER 2 HG SER 2 22.141 7.501 5.026
11 H SER 3 H SER 3 21.833 4.732 2.002
12 HA SER 3 HA SER 3 21.316 1.971 3.013
13 HB2 SER 3 1HB SER 3 19.241 4.178 2.716
14 HB3 SER 3 2HB SER 3 18.880 2.467 3.004
15 HG SER 3 HG SER 3 18.908 3.710 4.947
16 H GLY 4 H GLY 4 20.350 0.571 1.566
17 HA2 GLY 4 1HA GLY 4 20.590 1.163 -1.305
18 HA3 GLY 4 2HA GLY 4 20.167 -0.373 -0.561
19 H SER 5 H SER 5 18.737 -0.080 -2.608
20 HA SER 5 HA SER 5 16.510 1.598 -2.739
21 HB2 SER 5 1HB SER 5 16.701 -1.264 -3.749
22 HB3 SER 5 2HB SER 5 15.607 0.000 -4.344
23 HG SER 5 HG SER 5 17.489 -0.212 -5.654
24 H SER 6 H SER 6 16.853 -1.244 -0.704
25 HA SER 6 HA SER 6 14.152 -1.841 -0.117
26 HB2 SER 6 1HB SER 6 16.545 -1.970 1.757
27 HB3 SER 6 2HB SER 6 15.029 -2.880 1.904
28 HG SER 6 HG SER 6 16.698 -4.126 0.929
29 H GLY 7 H GLY 7 15.914 1.031 0.737
30 HA2 GLY 7 1HA GLY 7 14.364 1.829 3.056
31 HA3 GLY 7 2HA GLY 7 15.385 2.850 2.040
32 H LYS 8 H LYS 8 13.467 1.658 -0.278
33 HA LYS 8 HA LYS 8 11.728 3.934 -0.476
34 HB2 LYS 8 1HB LYS 8 12.531 2.695 -2.435
35 HB3 LYS 8 2HB LYS 8 11.722 1.233 -1.880
36 HG2 LYS 8 1HG LYS 8 10.484 2.202 -3.696
37 HG3 LYS 8 2HG LYS 8 9.516 2.278 -2.230
38 HD2 LYS 8 1HD LYS 8 10.153 4.698 -1.973
39 HD3 LYS 8 2HD LYS 8 11.060 4.607 -3.482
40 HE2 LYS 8 1HE LYS 8 8.081 3.966 -3.220
41 HE3 LYS 8 2HE LYS 8 8.695 5.579 -3.587
42 HZ1 LYS 8 3HZ LYS 8 8.120 4.387 -5.609
43 HZ2 LYS 8 1HZ LYS 8 9.169 3.181 -5.274
44 HZ3 LYS 8 2HZ LYS 8 9.724 4.686 -5.597
45 H ILE 9 H ILE 9 9.650 4.253 0.011
46 HA ILE 9 HA ILE 9 7.958 2.047 1.025
47 HB ILE 9 HB ILE 9 6.893 3.608 2.648
48 HG12 ILE 9 1HG1 ILE 9 9.388 5.338 2.431
49 HG13 ILE 9 2HG1 ILE 9 7.921 5.716 1.529
50 HG21 ILE 9 1HG2 ILE 9 8.500 1.844 3.314
51 HG22 ILE 9 2HG2 ILE 9 9.826 3.021 3.211
52 HG23 ILE 9 3HG2 ILE 9 8.530 3.233 4.405
53 HD11 ILE 9 3HD1 ILE 9 8.004 6.989 3.608
54 HD12 ILE 9 1HD1 ILE 9 6.618 5.886 3.582
55 HD13 ILE 9 2HD1 ILE 9 8.058 5.492 4.559
56 H PHE 10 H PHE 10 5.716 2.417 0.881
57 HA PHE 10 HA PHE 10 4.769 4.400 -1.157
58 HB2 PHE 10 1HB PHE 10 4.105 1.437 -0.859
59 HB3 PHE 10 2HB PHE 10 3.185 2.551 -1.845
60 HD1 PHE 10 2HD PHE 10 6.509 0.896 -1.503
61 HD2 PHE 10 1HD PHE 10 3.899 3.223 -4.027
62 HE1 PHE 10 2HE PHE 10 7.962 0.407 -3.459
63 HE2 PHE 10 1HE PHE 10 5.340 2.720 -5.982
64 HZ PHE 10 HZ PHE 10 7.342 1.277 -5.715
65 H THR 11 H THR 11 3.022 5.581 -0.450
66 HA THR 11 HA THR 11 1.815 4.859 2.198
67 HB THR 11 HB THR 11 2.000 7.627 0.989
68 HG1 THR 11 1HG THR 11 3.800 7.931 2.252
69 HG21 THR 11 3HG2 THR 11 1.532 6.544 3.807
70 HG22 THR 11 1HG2 THR 11 0.390 7.468 2.793
71 HG23 THR 11 2HG2 THR 11 1.837 8.255 3.435
72 H CYS 12 H CYS 12 -0.313 4.673 2.437
73 HA CYS 12 HA CYS 12 -2.192 4.766 0.269
74 HB2 CYS 12 1HB CYS 12 -2.286 3.256 2.222
75 HB3 CYS 12 2HB CYS 12 -2.508 4.656 3.289
76 H GLU 13 H GLU 13 -3.293 6.417 -0.544
77 HA GLU 13 HA GLU 13 -3.043 9.088 0.615
78 HB2 GLU 13 1HB GLU 13 -4.214 9.865 -1.341
79 HB3 GLU 13 2HB GLU 13 -2.958 8.722 -1.816
80 HG2 GLU 13 1HG GLU 13 -4.690 6.941 -2.056
81 HG3 GLU 13 2HG GLU 13 -5.939 8.113 -1.614
82 H TYR 14 H TYR 14 -5.129 6.523 1.257
83 HA TYR 14 HA TYR 14 -7.501 8.211 1.864
84 HB2 TYR 14 1HB TYR 14 -7.122 5.215 1.760
85 HB3 TYR 14 2HB TYR 14 -8.638 6.038 2.055
86 HD1 TYR 14 1HD TYR 14 -9.711 7.400 0.234
87 HD2 TYR 14 2HD TYR 14 -6.254 4.914 -0.495
88 HE1 TYR 14 1HE TYR 14 -10.180 7.451 -2.217
89 HE2 TYR 14 2HE TYR 14 -6.725 4.979 -2.934
90 HH TYR 14 HH TYR 14 -8.111 5.742 -4.591
91 H CYS 15 H CYS 15 -5.151 6.105 3.526
92 HA CYS 15 HA CYS 15 -6.161 7.137 6.128
93 HB2 CYS 15 1HB CYS 15 -6.096 5.002 7.170
94 HB3 CYS 15 2HB CYS 15 -7.189 4.969 5.790
95 H ASN 16 H ASN 16 -3.517 7.050 4.211
96 HA ASN 16 HA ASN 16 -1.326 7.407 4.447
97 HB2 ASN 16 1HB ASN 16 -1.930 8.494 7.196
98 HB3 ASN 16 2HB ASN 16 -0.577 8.907 6.144
99 HD21 ASN 16 1HD2 ASN 16 -1.485 9.611 3.759
100 HD22 ASN 16 2HD2 ASN 16 -2.728 10.843 3.895
101 H LYS 17 H LYS 17 -2.260 4.740 5.313
102 HA LYS 17 HA LYS 17 -0.172 3.742 7.102
103 HB2 LYS 17 1HB LYS 17 -2.400 2.644 6.843
104 HB3 LYS 17 2HB LYS 17 -2.003 2.252 5.166
105 HG2 LYS 17 1HG LYS 17 -0.169 0.810 5.878
106 HG3 LYS 17 2HG LYS 17 -0.349 1.340 7.563
107 HD2 LYS 17 1HD LYS 17 -2.546 0.269 7.720
108 HD3 LYS 17 2HD LYS 17 -2.533 -0.093 5.994
109 HE2 LYS 17 1HE LYS 17 -1.995 -2.121 7.139
110 HE3 LYS 17 2HE LYS 17 -0.537 -1.561 6.318
111 HZ1 LYS 17 3HZ LYS 17 0.260 -0.706 8.459
112 HZ2 LYS 17 1HZ LYS 17 -0.091 -2.290 8.603
113 HZ3 LYS 17 2HZ LYS 17 -1.115 -1.178 9.213
114 H VAL 18 H VAL 18 1.704 2.710 6.506
115 HA VAL 18 HA VAL 18 2.639 3.159 3.715
116 HB VAL 18 HB VAL 18 4.972 3.149 4.873
117 HG11 VAL 18 1HG1 VAL 18 3.075 5.510 5.046
118 HG12 VAL 18 2HG1 VAL 18 4.845 5.595 5.090
119 HG13 VAL 18 3HG1 VAL 18 4.034 5.009 3.628
120 HG21 VAL 18 3HG2 VAL 18 4.077 2.680 7.196
121 HG22 VAL 18 1HG2 VAL 18 5.055 4.157 7.056
122 HG23 VAL 18 2HG2 VAL 18 3.288 4.286 7.134
123 H PHE 19 H PHE 19 3.804 1.773 2.642
124 HA PHE 19 HA PHE 19 4.178 -1.011 3.658
125 HB2 PHE 19 1HB PHE 19 3.117 -0.173 0.929
126 HB3 PHE 19 2HB PHE 19 3.385 -1.812 1.510
127 HD1 PHE 19 2HD PHE 19 1.248 1.212 1.857
128 HD2 PHE 19 1HD PHE 19 1.771 -2.926 2.937
129 HE1 PHE 19 2HE PHE 19 -1.019 1.195 2.889
130 HE2 PHE 19 1HE PHE 19 -0.514 -2.959 3.913
131 HZ PHE 19 HZ PHE 19 -1.890 -0.892 3.913
132 H LYS 20 H LYS 20 5.662 -2.280 2.305
133 HA LYS 20 HA LYS 20 8.080 -0.709 1.685
134 HB2 LYS 20 1HB LYS 20 7.589 -3.691 1.949
135 HB3 LYS 20 2HB LYS 20 9.166 -2.918 1.679
136 HG2 LYS 20 1HG LYS 20 8.780 -1.540 3.776
137 HG3 LYS 20 2HG LYS 20 7.295 -2.461 4.051
138 HD2 LYS 20 1HD LYS 20 9.031 -3.348 5.432
139 HD3 LYS 20 2HD LYS 20 8.622 -4.548 4.189
140 HE2 LYS 20 1HE LYS 20 10.630 -3.886 2.888
141 HE3 LYS 20 2HE LYS 20 11.004 -2.635 4.082
142 HZ1 LYS 20 3HZ LYS 20 12.299 -4.654 4.472
143 HZ2 LYS 20 1HZ LYS 20 10.951 -5.557 4.638
144 HZ3 LYS 20 2HZ LYS 20 11.303 -4.400 5.737
145 H PHE 21 H PHE 21 5.656 -2.368 -0.166
146 HA PHE 21 HA PHE 21 7.205 -1.983 -2.682
147 HB2 PHE 21 1HB PHE 21 5.508 -4.409 -2.007
148 HB3 PHE 21 2HB PHE 21 6.477 -4.152 -3.446
149 HD1 PHE 21 2HD PHE 21 9.070 -3.895 -3.119
150 HD2 PHE 21 1HD PHE 21 6.417 -5.548 -0.145
151 HE1 PHE 21 2HE PHE 21 11.002 -4.978 -1.995
152 HE2 PHE 21 1HE PHE 21 8.353 -6.629 0.978
153 HZ PHE 21 HZ PHE 21 10.648 -6.343 0.056
154 H LYS 22 H LYS 22 5.939 -1.762 -4.585
155 HA LYS 22 HA LYS 22 3.667 -0.095 -4.345
156 HB2 LYS 22 1HB LYS 22 5.245 -0.219 -6.300
157 HB3 LYS 22 2HB LYS 22 4.525 -1.764 -6.758
158 HG2 LYS 22 1HG LYS 22 2.314 -0.653 -6.962
159 HG3 LYS 22 2HG LYS 22 3.054 0.904 -6.532
160 HD2 LYS 22 1HD LYS 22 4.545 0.727 -8.530
161 HD3 LYS 22 2HD LYS 22 3.749 -0.800 -8.972
162 HE2 LYS 22 1HE LYS 22 1.568 0.398 -9.123
163 HE3 LYS 22 2HE LYS 22 2.377 1.914 -8.698
164 HZ1 LYS 22 3HZ LYS 22 3.701 1.702 -10.736
165 HZ2 LYS 22 1HZ LYS 22 2.111 1.698 -11.103
166 HZ3 LYS 22 2HZ LYS 22 2.954 0.302 -11.130
167 H HIS 23 H HIS 23 3.769 -3.552 -5.262
168 HA HIS 23 HA HIS 23 0.967 -3.847 -5.610
169 HB2 HIS 23 1HB HIS 23 1.446 -6.277 -5.527
170 HB3 HIS 23 2HB HIS 23 2.506 -5.386 -6.609
171 HD1 HIS 23 1HD HIS 23 5.078 -5.752 -6.229
172 HD2 HIS 23 2HD HIS 23 2.620 -7.033 -3.059
173 HE1 HIS 23 1HE HIS 23 6.603 -6.955 -4.581
174 H SER 24 H SER 24 2.836 -3.813 -2.683
175 HA SER 24 HA SER 24 0.929 -5.184 -0.964
176 HB2 SER 24 1HB SER 24 3.128 -3.179 -0.333
177 HB3 SER 24 2HB SER 24 2.193 -4.066 0.860
178 HG SER 24 HG SER 24 3.052 -6.007 0.031
179 H LEU 25 H LEU 25 1.614 -1.725 -1.651
180 HA LEU 25 HA LEU 25 -0.592 -0.703 -0.098
181 HB2 LEU 25 1HB LEU 25 1.261 0.750 -0.670
182 HB3 LEU 25 2HB LEU 25 1.066 0.422 -2.394
183 HG LEU 25 HG LEU 25 -1.122 1.579 -2.404
184 HD11 LEU 25 1HD1 LEU 25 -0.514 2.340 0.484
185 HD12 LEU 25 2HD1 LEU 25 -1.766 1.180 -0.008
186 HD13 LEU 25 3HD1 LEU 25 -1.898 2.852 -0.512
187 HD21 LEU 25 3HD2 LEU 25 -0.295 3.841 -2.131
188 HD22 LEU 25 1HD2 LEU 25 0.943 2.818 -2.886
189 HD23 LEU 25 2HD2 LEU 25 1.072 3.254 -1.163
190 H GLN 26 H GLN 26 -0.190 -1.566 -3.532
191 HA GLN 26 HA GLN 26 -2.700 -0.522 -4.431
192 HB2 GLN 26 1HB GLN 26 -0.848 -2.633 -5.559
193 HB3 GLN 26 2HB GLN 26 -2.325 -2.174 -6.389
194 HG2 GLN 26 1HG GLN 26 -0.161 -0.170 -5.596
195 HG3 GLN 26 2HG GLN 26 -0.232 -0.967 -7.164
196 HE21 GLN 26 1HE2 GLN 26 -0.412 1.946 -6.570
197 HE22 GLN 26 2HE2 GLN 26 -1.960 2.426 -7.249
198 H ALA 27 H ALA 27 -1.940 -3.705 -3.104
199 HA ALA 27 HA ALA 27 -4.597 -4.831 -3.435
200 HB1 ALA 27 1HB ALA 27 -2.295 -5.455 -1.548
201 HB2 ALA 27 2HB ALA 27 -3.706 -6.503 -1.839
202 HB3 ALA 27 3HB ALA 27 -2.552 -6.176 -3.158
203 H HIS 28 H HIS 28 -2.985 -2.967 -0.810
204 HA HIS 28 HA HIS 28 -5.112 -3.222 1.111
205 HB2 HIS 28 1HB HIS 28 -2.985 -2.585 1.898
206 HB3 HIS 28 2HB HIS 28 -2.802 -1.301 0.721
207 HD1 HIS 28 1HD HIS 28 -4.725 -2.006 3.982
208 HD2 HIS 28 2HD HIS 28 -3.770 1.081 1.292
209 HE1 HIS 28 1HE HIS 28 -5.441 0.148 5.118
210 H LEU 29 H LEU 29 -4.675 -0.981 -1.641
211 HA LEU 29 HA LEU 29 -6.708 0.881 -1.032
212 HB2 LEU 29 1HB LEU 29 -6.097 -0.214 -3.800
213 HB3 LEU 29 2HB LEU 29 -6.861 1.325 -3.412
214 HG LEU 29 HG LEU 29 -3.996 0.518 -2.883
215 HD11 LEU 29 1HD1 LEU 29 -3.450 2.265 -4.471
216 HD12 LEU 29 2HD1 LEU 29 -5.177 2.665 -4.658
217 HD13 LEU 29 3HD1 LEU 29 -4.556 1.079 -5.191
218 HD21 LEU 29 3HD2 LEU 29 -3.714 2.948 -2.158
219 HD22 LEU 29 1HD2 LEU 29 -4.638 1.964 -1.020
220 HD23 LEU 29 2HD2 LEU 29 -5.487 3.073 -2.115
221 H ARG 30 H ARG 30 -7.124 -2.431 -2.032
222 HA ARG 30 HA ARG 30 -9.768 -2.293 -3.091
223 HB2 ARG 30 1HB ARG 30 -8.433 -4.623 -1.667
224 HB3 ARG 30 2HB ARG 30 -9.831 -4.695 -2.749
225 HG2 ARG 30 1HG ARG 30 -8.481 -3.982 -4.660
226 HG3 ARG 30 2HG ARG 30 -7.062 -3.754 -3.633
227 HD2 ARG 30 1HD ARG 30 -7.104 -6.156 -3.033
228 HD3 ARG 30 2HD ARG 30 -8.478 -6.398 -4.133
229 HE ARG 30 HE ARG 30 -6.528 -5.176 -5.698
230 HH11 ARG 30 2HH1 ARG 30 -6.651 -8.180 -3.898
231 HH12 ARG 30 1HH1 ARG 30 -5.486 -8.955 -4.936
232 HH21 ARG 30 2HH2 ARG 30 -5.057 -6.229 -6.989
233 HH22 ARG 30 1HH2 ARG 30 -4.615 -7.874 -6.641
234 H ILE 31 H ILE 31 -8.811 -1.945 0.212
235 HA ILE 31 HA ILE 31 -11.513 -2.527 1.244
236 HB ILE 31 HB ILE 31 -10.772 -2.101 3.356
237 HG12 ILE 31 1HG1 ILE 31 -8.403 -0.540 2.296
238 HG13 ILE 31 2HG1 ILE 31 -9.781 0.069 3.194
239 HG21 ILE 31 1HG2 ILE 31 -8.920 -3.596 3.669
240 HG22 ILE 31 2HG2 ILE 31 -9.796 -4.139 2.237
241 HG23 ILE 31 3HG2 ILE 31 -8.269 -3.246 2.056
242 HD11 ILE 31 3HD1 ILE 31 -7.939 -0.036 4.695
243 HD12 ILE 31 1HD1 ILE 31 -9.087 -1.304 5.166
244 HD13 ILE 31 2HD1 ILE 31 -7.595 -1.725 4.286
245 H HIS 32 H HIS 32 -9.788 0.211 0.003
246 HA HIS 32 HA HIS 32 -11.635 2.237 1.072
247 HB2 HIS 32 1HB HIS 32 -9.109 2.357 -0.628
248 HB3 HIS 32 2HB HIS 32 -10.003 3.754 -0.099
249 HD1 HIS 32 1HD HIS 32 -10.318 3.646 2.865
250 HD2 HIS 32 2HD HIS 32 -7.030 1.989 0.847
251 HE1 HIS 32 1HE HIS 32 -8.429 3.578 4.562
252 H THR 33 H THR 33 -11.091 0.478 -1.955
253 HA THR 33 HA THR 33 -12.610 2.220 -3.680
254 HB THR 33 HB THR 33 -12.801 0.183 -5.144
255 HG1 THR 33 1HG THR 33 -12.687 -1.357 -3.423
256 HG21 THR 33 3HG2 THR 33 -9.991 0.796 -4.142
257 HG22 THR 33 1HG2 THR 33 -10.873 1.686 -5.403
258 HG23 THR 33 2HG2 THR 33 -10.410 -0.009 -5.665
259 H ASN 34 H ASN 34 -14.741 2.330 -4.165
260 HA ASN 34 HA ASN 34 -16.669 0.532 -2.742
261 HB2 ASN 34 1HB ASN 34 -17.003 3.247 -4.081
262 HB3 ASN 34 2HB ASN 34 -18.347 2.254 -3.526
263 HD21 ASN 34 1HD2 ASN 34 -18.119 4.778 -2.526
264 HD22 ASN 34 2HD2 ASN 34 -17.637 4.678 -0.839
265 H GLU 35 H GLU 35 -16.250 1.978 -6.013
266 HA GLU 35 HA GLU 35 -16.618 -0.629 -7.293
267 HB2 GLU 35 1HB GLU 35 -18.953 0.211 -6.977
268 HB3 GLU 35 2HB GLU 35 -18.540 1.670 -7.884
269 HG2 GLU 35 1HG GLU 35 -18.084 0.304 -9.895
270 HG3 GLU 35 2HG GLU 35 -18.358 -1.176 -8.974
271 H LYS 36 H LYS 36 -15.474 -0.732 -9.165
272 HA LYS 36 HA LYS 36 -14.698 1.646 -10.714
273 HB2 LYS 36 1HB LYS 36 -12.697 -0.263 -9.423
274 HB3 LYS 36 2HB LYS 36 -12.292 0.720 -10.823
275 HG2 LYS 36 1HG LYS 36 -13.222 1.885 -8.169
276 HG3 LYS 36 2HG LYS 36 -11.545 1.649 -8.605
277 HD2 LYS 36 1HD LYS 36 -11.522 3.289 -10.237
278 HD3 LYS 36 2HD LYS 36 -13.258 3.254 -10.521
279 HE2 LYS 36 1HE LYS 36 -12.134 4.154 -7.852
280 HE3 LYS 36 2HE LYS 36 -12.221 5.267 -9.221
281 HZ1 LYS 36 3HZ LYS 36 -14.575 5.011 -9.314
282 HZ2 LYS 36 1HZ LYS 36 -14.226 5.304 -7.748
283 HZ3 LYS 36 2HZ LYS 36 -14.604 3.782 -8.252
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 17.718 0.821 21.158
2 H2 GLY 1 2H GLY 1 18.536 2.225 21.368
3 H3 GLY 1 3H GLY 1 18.691 1.383 19.970
4 HA2 GLY 1 1HA GLY 1 16.217 2.681 20.910
5 HA3 GLY 1 2HA GLY 1 17.278 3.309 19.636
6 H SER 2 H SER 2 14.449 2.606 19.425
7 HA SER 2 HA SER 2 14.253 0.088 17.949
8 HB2 SER 2 1HB SER 2 11.869 0.747 17.739
9 HB3 SER 2 2HB SER 2 12.459 0.725 19.408
10 HG SER 2 HG SER 2 11.223 2.614 18.938
11 H SER 3 H SER 3 14.916 3.370 17.024
12 HA SER 3 HA SER 3 13.816 3.391 14.400
13 HB2 SER 3 1HB SER 3 16.235 4.900 15.459
14 HB3 SER 3 2HB SER 3 15.302 5.295 14.002
15 HG SER 3 HG SER 3 14.641 6.544 15.816
16 H GLY 4 H GLY 4 14.695 3.074 12.359
17 HA2 GLY 4 1HA GLY 4 17.391 2.397 11.751
18 HA3 GLY 4 2HA GLY 4 16.457 0.906 11.890
19 H SER 5 H SER 5 17.656 1.555 9.514
20 HA SER 5 HA SER 5 16.003 3.028 7.687
21 HB2 SER 5 1HB SER 5 18.158 0.963 7.112
22 HB3 SER 5 2HB SER 5 17.474 2.117 5.949
23 HG SER 5 HG SER 5 19.449 2.866 6.873
24 H SER 6 H SER 6 14.458 2.439 6.277
25 HA SER 6 HA SER 6 13.569 -0.414 6.119
26 HB2 SER 6 1HB SER 6 11.264 0.471 6.049
27 HB3 SER 6 2HB SER 6 12.110 0.865 7.553
28 HG SER 6 HG SER 6 11.000 2.683 6.707
29 H GLY 7 H GLY 7 14.929 1.911 4.202
30 HA2 GLY 7 1HA GLY 7 15.192 2.071 1.901
31 HA3 GLY 7 2HA GLY 7 14.147 0.668 1.699
32 H LYS 8 H LYS 8 13.376 1.904 -0.181
33 HA LYS 8 HA LYS 8 11.694 4.263 0.186
34 HB2 LYS 8 1HB LYS 8 12.881 3.777 -1.915
35 HB3 LYS 8 2HB LYS 8 11.931 2.317 -2.164
36 HG2 LYS 8 1HG LYS 8 10.513 4.980 -1.839
37 HG3 LYS 8 2HG LYS 8 11.356 4.630 -3.346
38 HD2 LYS 8 1HD LYS 8 9.990 2.648 -3.759
39 HD3 LYS 8 2HD LYS 8 9.204 2.806 -2.194
40 HE2 LYS 8 1HE LYS 8 7.669 3.659 -3.771
41 HE3 LYS 8 2HE LYS 8 8.302 5.039 -2.877
42 HZ1 LYS 8 3HZ LYS 8 8.230 5.459 -5.275
43 HZ2 LYS 8 1HZ LYS 8 9.217 4.197 -5.584
44 HZ3 LYS 8 2HZ LYS 8 9.778 5.500 -4.769
45 H ILE 9 H ILE 9 9.568 4.436 0.449
46 HA ILE 9 HA ILE 9 7.924 1.986 0.799
47 HB ILE 9 HB ILE 9 6.781 3.254 2.673
48 HG12 ILE 9 1HG1 ILE 9 8.216 4.838 3.954
49 HG13 ILE 9 2HG1 ILE 9 9.319 4.969 2.613
50 HG21 ILE 9 1HG2 ILE 9 8.394 2.489 4.322
51 HG22 ILE 9 2HG2 ILE 9 8.307 1.334 2.986
52 HG23 ILE 9 3HG2 ILE 9 9.685 2.450 3.105
53 HD11 ILE 9 3HD1 ILE 9 7.656 6.854 2.861
54 HD12 ILE 9 1HD1 ILE 9 7.649 6.104 1.266
55 HD13 ILE 9 2HD1 ILE 9 6.364 5.714 2.437
56 H PHE 10 H PHE 10 5.650 2.346 0.797
57 HA PHE 10 HA PHE 10 4.710 4.362 -1.219
58 HB2 PHE 10 1HB PHE 10 4.032 1.408 -0.884
59 HB3 PHE 10 2HB PHE 10 3.153 2.506 -1.924
60 HD1 PHE 10 2HD PHE 10 6.411 0.781 -1.447
61 HD2 PHE 10 1HD PHE 10 3.989 3.201 -4.070
62 HE1 PHE 10 2HE PHE 10 7.939 0.263 -3.340
63 HE2 PHE 10 1HE PHE 10 5.507 2.669 -5.961
64 HZ PHE 10 HZ PHE 10 7.452 1.171 -5.612
65 H THR 11 H THR 11 3.077 5.639 -0.463
66 HA THR 11 HA THR 11 1.812 4.921 2.143
67 HB THR 11 HB THR 11 1.885 7.677 0.908
68 HG1 THR 11 1HG THR 11 3.733 8.046 2.096
69 HG21 THR 11 3HG2 THR 11 1.808 8.318 3.351
70 HG22 THR 11 1HG2 THR 11 1.603 6.599 3.755
71 HG23 THR 11 2HG2 THR 11 0.369 7.458 2.792
72 H CYS 12 H CYS 12 -0.294 4.700 2.420
73 HA CYS 12 HA CYS 12 -2.225 4.759 0.289
74 HB2 CYS 12 1HB CYS 12 -2.264 3.258 2.248
75 HB3 CYS 12 2HB CYS 12 -2.477 4.659 3.316
76 H GLU 13 H GLU 13 -3.336 6.406 -0.514
77 HA GLU 13 HA GLU 13 -3.087 9.078 0.637
78 HB2 GLU 13 1HB GLU 13 -4.302 9.845 -1.298
79 HB3 GLU 13 2HB GLU 13 -3.044 8.713 -1.793
80 HG2 GLU 13 1HG GLU 13 -4.760 6.915 -2.005
81 HG3 GLU 13 2HG GLU 13 -6.013 8.073 -1.537
82 H TYR 14 H TYR 14 -5.139 6.504 1.332
83 HA TYR 14 HA TYR 14 -7.511 8.179 1.977
84 HB2 TYR 14 1HB TYR 14 -7.123 5.185 1.856
85 HB3 TYR 14 2HB TYR 14 -8.637 6.004 2.166
86 HD1 TYR 14 1HD TYR 14 -9.716 7.388 0.356
87 HD2 TYR 14 2HD TYR 14 -6.292 4.866 -0.409
88 HE1 TYR 14 1HE TYR 14 -10.223 7.435 -2.081
89 HE2 TYR 14 2HE TYR 14 -6.805 4.924 -2.845
90 HH TYR 14 HH TYR 14 -9.603 6.724 -4.169
91 H CYS 15 H CYS 15 -5.130 6.069 3.592
92 HA CYS 15 HA CYS 15 -6.104 7.087 6.212
93 HB2 CYS 15 1HB CYS 15 -6.000 4.957 7.254
94 HB3 CYS 15 2HB CYS 15 -7.113 4.909 5.891
95 H ASN 16 H ASN 16 -3.496 7.039 4.253
96 HA ASN 16 HA ASN 16 -1.312 7.449 4.452
97 HB2 ASN 16 1HB ASN 16 -1.899 8.521 7.210
98 HB3 ASN 16 2HB ASN 16 -0.575 8.969 6.137
99 HD21 ASN 16 1HD2 ASN 16 -1.529 9.656 3.771
100 HD22 ASN 16 2HD2 ASN 16 -2.808 10.848 3.922
101 H LYS 17 H LYS 17 -2.171 4.755 5.367
102 HA LYS 17 HA LYS 17 0.007 3.836 7.093
103 HB2 LYS 17 1HB LYS 17 -2.193 2.682 6.970
104 HB3 LYS 17 2HB LYS 17 -1.887 2.276 5.276
105 HG2 LYS 17 1HG LYS 17 0.002 0.873 5.882
106 HG3 LYS 17 2HG LYS 17 -0.053 1.433 7.565
107 HD2 LYS 17 1HD LYS 17 -2.221 0.355 7.905
108 HD3 LYS 17 2HD LYS 17 -2.289 -0.130 6.199
109 HE2 LYS 17 1HE LYS 17 -0.243 -1.495 6.487
110 HE3 LYS 17 2HE LYS 17 -0.115 -0.974 8.172
111 HZ1 LYS 17 3HZ LYS 17 -2.364 -2.571 7.060
112 HZ2 LYS 17 1HZ LYS 17 -2.238 -2.081 8.615
113 HZ3 LYS 17 2HZ LYS 17 -1.170 -3.151 8.007
114 H VAL 18 H VAL 18 1.874 2.825 6.444
115 HA VAL 18 HA VAL 18 2.691 3.209 3.607
116 HB VAL 18 HB VAL 18 5.069 3.180 4.657
117 HG11 VAL 18 1HG1 VAL 18 4.075 5.037 3.422
118 HG12 VAL 18 2HG1 VAL 18 3.269 5.604 4.906
119 HG13 VAL 18 3HG1 VAL 18 5.040 5.609 4.788
120 HG21 VAL 18 3HG2 VAL 18 3.511 4.364 6.986
121 HG22 VAL 18 1HG2 VAL 18 4.288 2.754 7.023
122 HG23 VAL 18 2HG2 VAL 18 5.270 4.220 6.826
123 H PHE 19 H PHE 19 3.744 1.753 2.494
124 HA PHE 19 HA PHE 19 4.112 -1.004 3.597
125 HB2 PHE 19 1HB PHE 19 3.029 -0.208 0.872
126 HB3 PHE 19 2HB PHE 19 3.285 -1.841 1.459
127 HD1 PHE 19 2HD PHE 19 1.191 1.211 1.862
128 HD2 PHE 19 1HD PHE 19 1.691 -2.940 2.903
129 HE1 PHE 19 2HE PHE 19 -1.044 1.219 2.951
130 HE2 PHE 19 1HE PHE 19 -0.562 -2.947 3.950
131 HZ PHE 19 HZ PHE 19 -1.910 -0.861 4.003
132 H LYS 20 H LYS 20 5.578 -2.346 2.381
133 HA LYS 20 HA LYS 20 8.033 -0.891 1.716
134 HB2 LYS 20 1HB LYS 20 7.453 -3.855 1.996
135 HB3 LYS 20 2HB LYS 20 9.053 -3.113 1.787
136 HG2 LYS 20 1HG LYS 20 8.571 -1.706 3.868
137 HG3 LYS 20 2HG LYS 20 7.097 -2.655 4.087
138 HD2 LYS 20 1HD LYS 20 8.769 -3.562 5.521
139 HD3 LYS 20 2HD LYS 20 8.494 -4.727 4.211
140 HE2 LYS 20 1HE LYS 20 10.543 -3.914 3.063
141 HE3 LYS 20 2HE LYS 20 10.787 -2.708 4.332
142 HZ1 LYS 20 3HZ LYS 20 12.149 -4.685 4.708
143 HZ2 LYS 20 1HZ LYS 20 10.836 -5.653 4.747
144 HZ3 LYS 20 2HZ LYS 20 11.067 -4.539 5.920
145 H PHE 21 H PHE 21 5.581 -2.477 -0.147
146 HA PHE 21 HA PHE 21 7.165 -2.163 -2.649
147 HB2 PHE 21 1HB PHE 21 5.382 -4.530 -1.981
148 HB3 PHE 21 2HB PHE 21 6.357 -4.305 -3.418
149 HD1 PHE 21 2HD PHE 21 8.947 -4.186 -3.128
150 HD2 PHE 21 1HD PHE 21 6.262 -5.658 -0.089
151 HE1 PHE 21 2HE PHE 21 10.841 -5.344 -2.011
152 HE2 PHE 21 1HE PHE 21 8.159 -6.811 1.027
153 HZ PHE 21 HZ PHE 21 10.452 -6.653 0.069
154 H LYS 22 H LYS 22 5.922 -1.864 -4.553
155 HA LYS 22 HA LYS 22 3.693 -0.141 -4.292
156 HB2 LYS 22 1HB LYS 22 5.298 -0.277 -6.236
157 HB3 LYS 22 2HB LYS 22 4.508 -1.772 -6.745
158 HG2 LYS 22 1HG LYS 22 2.354 -0.552 -6.912
159 HG3 LYS 22 2HG LYS 22 3.165 0.955 -6.441
160 HD2 LYS 22 1HD LYS 22 4.646 0.772 -8.442
161 HD3 LYS 22 2HD LYS 22 3.790 -0.709 -8.927
162 HE2 LYS 22 1HE LYS 22 1.660 0.574 -9.058
163 HE3 LYS 22 2HE LYS 22 2.520 2.046 -8.578
164 HZ1 LYS 22 3HZ LYS 22 2.266 1.916 -10.990
165 HZ2 LYS 22 1HZ LYS 22 3.058 0.493 -11.057
166 HZ3 LYS 22 2HZ LYS 22 3.851 1.851 -10.613
167 H HIS 23 H HIS 23 3.721 -3.580 -5.271
168 HA HIS 23 HA HIS 23 0.913 -3.806 -5.642
169 HB2 HIS 23 1HB HIS 23 1.340 -6.247 -5.599
170 HB3 HIS 23 2HB HIS 23 2.422 -5.361 -6.662
171 HD1 HIS 23 1HD HIS 23 4.981 -5.802 -6.285
172 HD2 HIS 23 2HD HIS 23 2.489 -7.057 -3.132
173 HE1 HIS 23 1HE HIS 23 6.474 -7.064 -4.652
174 H SER 24 H SER 24 2.759 -3.828 -2.705
175 HA SER 24 HA SER 24 0.809 -5.201 -1.021
176 HB2 SER 24 1HB SER 24 3.057 -3.270 -0.336
177 HB3 SER 24 2HB SER 24 2.073 -4.139 0.834
178 HG SER 24 HG SER 24 2.879 -6.098 0.000
179 H LEU 25 H LEU 25 1.573 -1.742 -1.656
180 HA LEU 25 HA LEU 25 -0.622 -0.701 -0.110
181 HB2 LEU 25 1HB LEU 25 1.240 0.738 -0.685
182 HB3 LEU 25 2HB LEU 25 1.037 0.411 -2.409
183 HG LEU 25 HG LEU 25 -1.145 1.582 -2.409
184 HD11 LEU 25 1HD1 LEU 25 -1.781 1.188 -0.010
185 HD12 LEU 25 2HD1 LEU 25 -1.900 2.862 -0.511
186 HD13 LEU 25 3HD1 LEU 25 -0.516 2.336 0.477
187 HD21 LEU 25 3HD2 LEU 25 1.061 3.243 -1.177
188 HD22 LEU 25 1HD2 LEU 25 -0.305 3.836 -2.143
189 HD23 LEU 25 2HD2 LEU 25 0.926 2.809 -2.900
190 H GLN 26 H GLN 26 -0.238 -1.563 -3.551
191 HA GLN 26 HA GLN 26 -2.742 -0.489 -4.432
192 HB2 GLN 26 1HB GLN 26 -0.914 -2.611 -5.582
193 HB3 GLN 26 2HB GLN 26 -2.383 -2.121 -6.406
194 HG2 GLN 26 1HG GLN 26 -0.188 -0.161 -5.592
195 HG3 GLN 26 2HG GLN 26 -0.272 -0.937 -7.169
196 HE21 GLN 26 1HE2 GLN 26 -0.399 1.968 -6.552
197 HE22 GLN 26 2HE2 GLN 26 -1.941 2.483 -7.217
198 H ALA 27 H ALA 27 -2.006 -3.687 -3.135
199 HA ALA 27 HA ALA 27 -4.682 -4.778 -3.464
200 HB1 ALA 27 1HB ALA 27 -2.374 -5.465 -1.606
201 HB2 ALA 27 2HB ALA 27 -3.803 -6.487 -1.903
202 HB3 ALA 27 3HB ALA 27 -2.654 -6.155 -3.225
203 H HIS 28 H HIS 28 -3.023 -2.975 -0.822
204 HA HIS 28 HA HIS 28 -5.139 -3.219 1.108
205 HB2 HIS 28 1HB HIS 28 -2.995 -2.611 1.881
206 HB3 HIS 28 2HB HIS 28 -2.816 -1.312 0.718
207 HD1 HIS 28 1HD HIS 28 -4.742 -2.051 3.974
208 HD2 HIS 28 2HD HIS 28 -3.731 1.069 1.345
209 HE1 HIS 28 1HE HIS 28 -5.412 0.094 5.156
210 H LEU 29 H LEU 29 -4.705 -0.963 -1.632
211 HA LEU 29 HA LEU 29 -6.716 0.913 -0.988
212 HB2 LEU 29 1HB LEU 29 -6.150 -0.171 -3.769
213 HB3 LEU 29 2HB LEU 29 -6.894 1.373 -3.362
214 HG LEU 29 HG LEU 29 -4.029 0.535 -2.888
215 HD11 LEU 29 1HD1 LEU 29 -4.621 1.125 -5.179
216 HD12 LEU 29 2HD1 LEU 29 -3.493 2.293 -4.465
217 HD13 LEU 29 3HD1 LEU 29 -5.219 2.712 -4.619
218 HD21 LEU 29 3HD2 LEU 29 -3.703 2.949 -2.142
219 HD22 LEU 29 1HD2 LEU 29 -4.622 1.967 -0.998
220 HD23 LEU 29 2HD2 LEU 29 -5.473 3.100 -2.068
221 H ARG 30 H ARG 30 -7.168 -2.391 -2.015
222 HA ARG 30 HA ARG 30 -9.837 -2.209 -3.025
223 HB2 ARG 30 1HB ARG 30 -8.489 -4.583 -1.686
224 HB3 ARG 30 2HB ARG 30 -9.898 -4.612 -2.750
225 HG2 ARG 30 1HG ARG 30 -8.563 -3.866 -4.661
226 HG3 ARG 30 2HG ARG 30 -7.133 -3.669 -3.642
227 HD2 ARG 30 1HD ARG 30 -7.181 -6.084 -3.096
228 HD3 ARG 30 2HD ARG 30 -8.559 -6.294 -4.199
229 HE ARG 30 HE ARG 30 -6.639 -5.048 -5.758
230 HH11 ARG 30 2HH1 ARG 30 -6.661 -8.059 -3.966
231 HH12 ARG 30 1HH1 ARG 30 -5.477 -8.794 -5.010
232 HH21 ARG 30 2HH2 ARG 30 -5.143 -6.052 -7.059
233 HH22 ARG 30 1HH2 ARG 30 -4.651 -7.684 -6.718
234 H ILE 31 H ILE 31 -8.834 -1.891 0.246
235 HA ILE 31 HA ILE 31 -11.531 -2.471 1.308
236 HB ILE 31 HB ILE 31 -10.767 -2.076 3.414
237 HG12 ILE 31 1HG1 ILE 31 -8.391 -0.524 2.356
238 HG13 ILE 31 2HG1 ILE 31 -9.763 0.092 3.262
239 HG21 ILE 31 1HG2 ILE 31 -8.281 -3.223 2.087
240 HG22 ILE 31 2HG2 ILE 31 -8.924 -3.585 3.700
241 HG23 ILE 31 3HG2 ILE 31 -9.812 -4.109 2.269
242 HD11 ILE 31 3HD1 ILE 31 -9.077 -1.301 5.223
243 HD12 ILE 31 1HD1 ILE 31 -7.591 -1.731 4.335
244 HD13 ILE 31 2HD1 ILE 31 -7.918 -0.041 4.758
245 H HIS 32 H HIS 32 -9.770 0.256 0.087
246 HA HIS 32 HA HIS 32 -11.614 2.297 1.139
247 HB2 HIS 32 1HB HIS 32 -9.063 2.409 -0.525
248 HB3 HIS 32 2HB HIS 32 -9.944 3.803 0.032
249 HD1 HIS 32 1HD HIS 32 -10.270 3.632 2.993
250 HD2 HIS 32 2HD HIS 32 -6.997 1.983 0.942
251 HE1 HIS 32 1HE HIS 32 -8.380 3.516 4.688
252 H THR 33 H THR 33 -10.927 0.619 -1.905
253 HA THR 33 HA THR 33 -13.284 1.965 -3.141
254 HB THR 33 HB THR 33 -11.211 2.957 -4.051
255 HG1 THR 33 1HG THR 33 -11.912 2.748 -6.161
256 HG21 THR 33 3HG2 THR 33 -10.698 0.204 -5.286
257 HG22 THR 33 1HG2 THR 33 -9.696 0.987 -4.053
258 HG23 THR 33 2HG2 THR 33 -9.837 1.714 -5.655
259 H ASN 34 H ASN 34 -14.556 0.735 -4.492
260 HA ASN 34 HA ASN 34 -13.932 -2.038 -5.122
261 HB2 ASN 34 1HB ASN 34 -14.794 -2.050 -2.703
262 HB3 ASN 34 2HB ASN 34 -16.332 -1.449 -3.325
263 HD21 ASN 34 1HD2 ASN 34 -17.070 -3.502 -2.212
264 HD22 ASN 34 2HD2 ASN 34 -16.995 -4.983 -3.156
265 H GLU 35 H GLU 35 -15.682 -3.009 -6.474
266 HA GLU 35 HA GLU 35 -16.787 -1.098 -8.399
267 HB2 GLU 35 1HB GLU 35 -17.077 -4.117 -8.150
268 HB3 GLU 35 2HB GLU 35 -17.726 -3.137 -9.470
269 HG2 GLU 35 1HG GLU 35 -15.420 -2.356 -10.015
270 HG3 GLU 35 2HG GLU 35 -14.774 -3.407 -8.752
271 H LYS 36 H LYS 36 -18.891 -0.539 -8.748
272 HA LYS 36 HA LYS 36 -21.114 -1.562 -7.136
273 HB2 LYS 36 1HB LYS 36 -21.730 0.621 -6.223
274 HB3 LYS 36 2HB LYS 36 -20.174 0.075 -5.607
275 HG2 LYS 36 1HG LYS 36 -19.009 1.606 -7.203
276 HG3 LYS 36 2HG LYS 36 -20.588 2.164 -7.791
277 HD2 LYS 36 1HD LYS 36 -21.142 2.996 -5.514
278 HD3 LYS 36 2HD LYS 36 -19.603 2.371 -4.913
279 HE2 LYS 36 1HE LYS 36 -19.323 4.718 -5.233
280 HE3 LYS 36 2HE LYS 36 -18.379 3.889 -6.472
281 HZ1 LYS 36 3HZ LYS 36 -21.062 5.107 -6.897
282 HZ2 LYS 36 1HZ LYS 36 -20.172 4.372 -8.057
283 HZ3 LYS 36 2HZ LYS 36 -19.649 5.759 -7.382
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 18.605 -9.807 17.808
2 H2 GLY 1 2H GLY 1 17.125 -10.431 18.132
3 H3 GLY 1 3H GLY 1 17.418 -8.837 18.379
4 HA2 GLY 1 1HA GLY 1 17.404 -10.187 15.758
5 HA3 GLY 1 2HA GLY 1 16.113 -9.141 16.378
6 H SER 2 H SER 2 17.130 -8.488 13.989
7 HA SER 2 HA SER 2 19.406 -6.754 13.985
8 HB2 SER 2 1HB SER 2 17.069 -6.866 12.043
9 HB3 SER 2 2HB SER 2 18.652 -6.120 11.746
10 HG SER 2 HG SER 2 18.518 -8.251 10.887
11 H SER 3 H SER 3 19.569 -4.502 13.756
12 HA SER 3 HA SER 3 17.864 -2.968 15.474
13 HB2 SER 3 1HB SER 3 20.060 -2.006 13.607
14 HB3 SER 3 2HB SER 3 19.403 -1.142 15.010
15 HG SER 3 HG SER 3 21.360 -2.239 15.507
16 H GLY 4 H GLY 4 17.416 -3.630 12.177
17 HA2 GLY 4 1HA GLY 4 15.764 -2.862 10.715
18 HA3 GLY 4 2HA GLY 4 15.362 -1.551 11.817
19 H SER 5 H SER 5 15.420 -1.014 9.180
20 HA SER 5 HA SER 5 17.566 0.964 8.899
21 HB2 SER 5 1HB SER 5 18.281 0.181 6.675
22 HB3 SER 5 2HB SER 5 18.680 -0.979 7.945
23 HG SER 5 HG SER 5 16.906 -2.238 7.317
24 H SER 6 H SER 6 17.239 2.460 7.162
25 HA SER 6 HA SER 6 14.394 2.922 6.481
26 HB2 SER 6 1HB SER 6 16.845 4.671 6.084
27 HB3 SER 6 2HB SER 6 15.165 5.136 5.755
28 HG SER 6 HG SER 6 15.880 5.835 7.833
29 H GLY 7 H GLY 7 13.691 3.430 4.343
30 HA2 GLY 7 1HA GLY 7 15.264 3.220 1.975
31 HA3 GLY 7 2HA GLY 7 14.502 1.659 2.291
32 H LYS 8 H LYS 8 13.681 2.436 0.054
33 HA LYS 8 HA LYS 8 11.596 4.412 -0.107
34 HB2 LYS 8 1HB LYS 8 12.889 3.675 -2.067
35 HB3 LYS 8 2HB LYS 8 12.291 2.028 -1.881
36 HG2 LYS 8 1HG LYS 8 11.168 3.104 -3.718
37 HG3 LYS 8 2HG LYS 8 10.003 2.758 -2.444
38 HD2 LYS 8 1HD LYS 8 10.031 5.151 -1.755
39 HD3 LYS 8 2HD LYS 8 11.315 5.474 -2.922
40 HE2 LYS 8 1HE LYS 8 9.228 6.250 -3.829
41 HE3 LYS 8 2HE LYS 8 9.798 4.884 -4.788
42 HZ1 LYS 8 3HZ LYS 8 7.740 4.667 -2.642
43 HZ2 LYS 8 1HZ LYS 8 8.179 3.477 -3.673
44 HZ3 LYS 8 2HZ LYS 8 7.393 4.787 -4.240
45 H ILE 9 H ILE 9 9.557 4.382 0.297
46 HA ILE 9 HA ILE 9 8.030 1.879 0.775
47 HB ILE 9 HB ILE 9 6.855 3.216 2.615
48 HG12 ILE 9 1HG1 ILE 9 8.273 4.856 3.828
49 HG13 ILE 9 2HG1 ILE 9 9.399 4.922 2.506
50 HG21 ILE 9 1HG2 ILE 9 9.754 2.425 3.086
51 HG22 ILE 9 2HG2 ILE 9 8.457 2.510 4.294
52 HG23 ILE 9 3HG2 ILE 9 8.376 1.306 3.002
53 HD11 ILE 9 3HD1 ILE 9 7.754 5.997 1.073
54 HD12 ILE 9 1HD1 ILE 9 6.452 5.678 2.247
55 HD13 ILE 9 2HD1 ILE 9 7.750 6.826 2.631
56 H PHE 10 H PHE 10 5.662 2.330 0.837
57 HA PHE 10 HA PHE 10 4.784 4.362 -1.191
58 HB2 PHE 10 1HB PHE 10 4.071 1.407 -0.960
59 HB3 PHE 10 2HB PHE 10 3.193 2.553 -1.952
60 HD1 PHE 10 2HD PHE 10 6.453 0.803 -1.557
61 HD2 PHE 10 1HD PHE 10 4.021 3.324 -4.073
62 HE1 PHE 10 2HE PHE 10 7.990 0.381 -3.466
63 HE2 PHE 10 1HE PHE 10 5.546 2.889 -5.982
64 HZ PHE 10 HZ PHE 10 7.504 1.391 -5.696
65 H THR 11 H THR 11 3.119 5.614 -0.471
66 HA THR 11 HA THR 11 1.874 4.905 2.145
67 HB THR 11 HB THR 11 1.906 7.658 0.906
68 HG1 THR 11 1HG THR 11 3.775 8.048 2.055
69 HG21 THR 11 3HG2 THR 11 1.860 8.308 3.338
70 HG22 THR 11 1HG2 THR 11 1.725 6.588 3.765
71 HG23 THR 11 2HG2 THR 11 0.434 7.396 2.836
72 H CYS 12 H CYS 12 -0.230 4.706 2.449
73 HA CYS 12 HA CYS 12 -2.153 4.726 0.288
74 HB2 CYS 12 1HB CYS 12 -2.199 3.200 2.231
75 HB3 CYS 12 2HB CYS 12 -2.447 4.586 3.311
76 H GLU 13 H GLU 13 -3.188 6.414 -0.537
77 HA GLU 13 HA GLU 13 -3.000 9.054 0.675
78 HB2 GLU 13 1HB GLU 13 -4.163 9.850 -1.278
79 HB3 GLU 13 2HB GLU 13 -2.897 8.721 -1.758
80 HG2 GLU 13 1HG GLU 13 -4.611 6.931 -2.038
81 HG3 GLU 13 2HG GLU 13 -5.873 8.085 -1.583
82 H TYR 14 H TYR 14 -5.055 6.484 1.318
83 HA TYR 14 HA TYR 14 -7.449 8.148 1.919
84 HB2 TYR 14 1HB TYR 14 -7.045 5.158 1.785
85 HB3 TYR 14 2HB TYR 14 -8.572 5.965 2.077
86 HD1 TYR 14 1HD TYR 14 -9.634 7.352 0.265
87 HD2 TYR 14 2HD TYR 14 -6.173 4.874 -0.471
88 HE1 TYR 14 1HE TYR 14 -10.097 7.430 -2.180
89 HE2 TYR 14 2HE TYR 14 -6.641 4.962 -2.917
90 HH TYR 14 HH TYR 14 -9.431 6.757 -4.266
91 H CYS 15 H CYS 15 -5.094 6.026 3.563
92 HA CYS 15 HA CYS 15 -6.133 7.019 6.170
93 HB2 CYS 15 1HB CYS 15 -5.993 4.882 7.200
94 HB3 CYS 15 2HB CYS 15 -7.097 4.833 5.831
95 H ASN 16 H ASN 16 -3.490 7.062 4.266
96 HA ASN 16 HA ASN 16 -1.329 7.582 4.528
97 HB2 ASN 16 1HB ASN 16 -2.204 8.638 7.225
98 HB3 ASN 16 2HB ASN 16 -0.690 9.013 6.416
99 HD21 ASN 16 1HD2 ASN 16 -4.156 9.630 6.409
100 HD22 ASN 16 2HD2 ASN 16 -4.079 10.892 5.186
101 H LYS 17 H LYS 17 -2.094 4.821 5.388
102 HA LYS 17 HA LYS 17 0.136 4.037 7.145
103 HB2 LYS 17 1HB LYS 17 -1.944 2.703 7.175
104 HB3 LYS 17 2HB LYS 17 -1.752 2.336 5.452
105 HG2 LYS 17 1HG LYS 17 0.348 1.181 5.886
106 HG3 LYS 17 2HG LYS 17 0.298 1.628 7.602
107 HD2 LYS 17 1HD LYS 17 -1.721 0.214 7.877
108 HD3 LYS 17 2HD LYS 17 -1.655 -0.223 6.166
109 HE2 LYS 17 1HE LYS 17 0.461 -0.803 8.294
110 HE3 LYS 17 2HE LYS 17 -0.644 -1.976 7.578
111 HZ1 LYS 17 3HZ LYS 17 0.462 -1.544 5.412
112 HZ2 LYS 17 1HZ LYS 17 1.507 -2.132 6.525
113 HZ3 LYS 17 2HZ LYS 17 1.543 -0.548 6.131
114 H VAL 18 H VAL 18 2.031 3.106 6.484
115 HA VAL 18 HA VAL 18 2.734 3.299 3.602
116 HB VAL 18 HB VAL 18 5.147 3.108 4.545
117 HG11 VAL 18 1HG1 VAL 18 4.245 5.025 3.339
118 HG12 VAL 18 2HG1 VAL 18 3.516 5.649 4.839
119 HG13 VAL 18 3HG1 VAL 18 5.281 5.545 4.674
120 HG21 VAL 18 3HG2 VAL 18 3.772 4.413 6.924
121 HG22 VAL 18 1HG2 VAL 18 4.420 2.747 6.942
122 HG23 VAL 18 2HG2 VAL 18 5.510 4.130 6.702
123 H PHE 19 H PHE 19 3.851 1.783 2.557
124 HA PHE 19 HA PHE 19 4.026 -0.991 3.649
125 HB2 PHE 19 1HB PHE 19 3.028 -0.129 0.910
126 HB3 PHE 19 2HB PHE 19 3.234 -1.781 1.443
127 HD1 PHE 19 2HD PHE 19 1.232 1.321 2.046
128 HD2 PHE 19 1HD PHE 19 1.531 -2.937 2.645
129 HE1 PHE 19 2HE PHE 19 -1.013 1.315 3.098
130 HE2 PHE 19 1HE PHE 19 -0.753 -2.956 3.628
131 HZ PHE 19 HZ PHE 19 -1.992 -0.818 3.917
132 H LYS 20 H LYS 20 5.514 -2.350 2.457
133 HA LYS 20 HA LYS 20 8.006 -0.933 1.873
134 HB2 LYS 20 1HB LYS 20 7.350 -3.906 1.925
135 HB3 LYS 20 2HB LYS 20 8.973 -3.189 1.895
136 HG2 LYS 20 1HG LYS 20 8.409 -2.019 4.074
137 HG3 LYS 20 2HG LYS 20 6.890 -2.935 4.111
138 HD2 LYS 20 1HD LYS 20 8.205 -5.068 4.045
139 HD3 LYS 20 2HD LYS 20 9.708 -4.116 4.077
140 HE2 LYS 20 1HE LYS 20 9.015 -3.118 6.249
141 HE3 LYS 20 2HE LYS 20 7.533 -4.084 6.216
142 HZ1 LYS 20 3HZ LYS 20 10.287 -5.200 6.309
143 HZ2 LYS 20 1HZ LYS 20 8.917 -6.091 6.279
144 HZ3 LYS 20 2HZ LYS 20 9.250 -5.147 7.566
145 H PHE 21 H PHE 21 5.587 -2.494 -0.083
146 HA PHE 21 HA PHE 21 7.192 -2.072 -2.555
147 HB2 PHE 21 1HB PHE 21 5.545 -4.546 -1.903
148 HB3 PHE 21 2HB PHE 21 6.468 -4.248 -3.364
149 HD1 PHE 21 2HD PHE 21 9.044 -4.007 -3.167
150 HD2 PHE 21 1HD PHE 21 6.561 -5.592 -0.018
151 HE1 PHE 21 2HE PHE 21 11.043 -5.028 -2.100
152 HE2 PHE 21 1HE PHE 21 8.563 -6.590 1.060
153 HZ PHE 21 HZ PHE 21 10.806 -6.314 0.017
154 H LYS 22 H LYS 22 5.964 -1.767 -4.461
155 HA LYS 22 HA LYS 22 3.691 -0.125 -4.159
156 HB2 LYS 22 1HB LYS 22 5.318 -0.166 -6.097
157 HB3 LYS 22 2HB LYS 22 4.528 -1.633 -6.681
158 HG2 LYS 22 1HG LYS 22 2.376 -0.407 -6.786
159 HG3 LYS 22 2HG LYS 22 3.178 1.071 -6.227
160 HD2 LYS 22 1HD LYS 22 4.647 1.033 -8.234
161 HD3 LYS 22 2HD LYS 22 3.823 -0.435 -8.805
162 HE2 LYS 22 1HE LYS 22 1.668 0.803 -8.867
163 HE3 LYS 22 2HE LYS 22 2.484 2.262 -8.292
164 HZ1 LYS 22 3HZ LYS 22 3.826 2.233 -10.330
165 HZ2 LYS 22 1HZ LYS 22 2.240 2.278 -10.709
166 HZ3 LYS 22 2HZ LYS 22 3.071 0.883 -10.862
167 H HIS 23 H HIS 23 3.779 -3.515 -5.307
168 HA HIS 23 HA HIS 23 0.991 -3.781 -5.730
169 HB2 HIS 23 1HB HIS 23 1.469 -6.233 -5.686
170 HB3 HIS 23 2HB HIS 23 2.512 -5.300 -6.747
171 HD1 HIS 23 1HD HIS 23 5.070 -5.713 -6.437
172 HD2 HIS 23 2HD HIS 23 2.693 -6.956 -3.190
173 HE1 HIS 23 1HE HIS 23 6.634 -6.911 -4.821
174 H SER 24 H SER 24 2.755 -3.865 -2.734
175 HA SER 24 HA SER 24 0.740 -5.286 -1.167
176 HB2 SER 24 1HB SER 24 3.042 -3.477 -0.342
177 HB3 SER 24 2HB SER 24 1.972 -4.335 0.764
178 HG SER 24 HG SER 24 3.802 -5.608 0.384
179 H LEU 25 H LEU 25 1.557 -1.825 -1.685
180 HA LEU 25 HA LEU 25 -0.643 -0.795 -0.130
181 HB2 LEU 25 1HB LEU 25 1.227 0.646 -0.653
182 HB3 LEU 25 2HB LEU 25 1.049 0.353 -2.385
183 HG LEU 25 HG LEU 25 -1.135 1.530 -2.390
184 HD11 LEU 25 1HD1 LEU 25 -1.901 2.785 -0.482
185 HD12 LEU 25 2HD1 LEU 25 -0.519 2.256 0.505
186 HD13 LEU 25 3HD1 LEU 25 -1.778 1.106 0.006
187 HD21 LEU 25 3HD2 LEU 25 0.942 2.748 -2.856
188 HD22 LEU 25 1HD2 LEU 25 1.083 3.155 -1.127
189 HD23 LEU 25 2HD2 LEU 25 -0.278 3.776 -2.084
190 H GLN 26 H GLN 26 -0.233 -1.609 -3.584
191 HA GLN 26 HA GLN 26 -2.721 -0.526 -4.485
192 HB2 GLN 26 1HB GLN 26 -0.987 -2.745 -5.618
193 HB3 GLN 26 2HB GLN 26 -2.414 -2.139 -6.443
194 HG2 GLN 26 1HG GLN 26 -0.039 -0.386 -5.678
195 HG3 GLN 26 2HG GLN 26 -0.266 -1.140 -7.251
196 HE21 GLN 26 1HE2 GLN 26 -2.495 -0.549 -8.355
197 HE22 GLN 26 2HE2 GLN 26 -2.973 1.129 -8.147
198 H ALA 27 H ALA 27 -2.024 -3.744 -3.194
199 HA ALA 27 HA ALA 27 -4.712 -4.801 -3.540
200 HB1 ALA 27 1HB ALA 27 -2.416 -5.540 -1.680
201 HB2 ALA 27 2HB ALA 27 -3.854 -6.541 -1.998
202 HB3 ALA 27 3HB ALA 27 -2.693 -6.202 -3.311
203 H HIS 28 H HIS 28 -3.051 -3.032 -0.880
204 HA HIS 28 HA HIS 28 -5.177 -3.282 1.042
205 HB2 HIS 28 1HB HIS 28 -3.039 -2.683 1.832
206 HB3 HIS 28 2HB HIS 28 -2.845 -1.385 0.670
207 HD1 HIS 28 1HD HIS 28 -4.786 -2.114 3.920
208 HD2 HIS 28 2HD HIS 28 -3.746 1.001 1.294
209 HE1 HIS 28 1HE HIS 28 -5.442 0.034 5.102
210 H LEU 29 H LEU 29 -4.718 -1.020 -1.691
211 HA LEU 29 HA LEU 29 -6.741 0.848 -1.061
212 HB2 LEU 29 1HB LEU 29 -6.164 -0.226 -3.843
213 HB3 LEU 29 2HB LEU 29 -6.902 1.318 -3.427
214 HG LEU 29 HG LEU 29 -4.038 0.470 -2.964
215 HD11 LEU 29 1HD1 LEU 29 -3.521 2.268 -4.523
216 HD12 LEU 29 2HD1 LEU 29 -5.256 2.633 -4.696
217 HD13 LEU 29 3HD1 LEU 29 -4.602 1.063 -5.248
218 HD21 LEU 29 3HD2 LEU 29 -4.630 1.892 -1.064
219 HD22 LEU 29 1HD2 LEU 29 -5.457 3.043 -2.135
220 HD23 LEU 29 2HD2 LEU 29 -3.689 2.863 -2.198
221 H ARG 30 H ARG 30 -7.160 -2.463 -2.099
222 HA ARG 30 HA ARG 30 -9.797 -2.332 -3.143
223 HB2 ARG 30 1HB ARG 30 -8.480 -4.665 -1.752
224 HB3 ARG 30 2HB ARG 30 -9.928 -4.698 -2.771
225 HG2 ARG 30 1HG ARG 30 -8.600 -3.823 -4.704
226 HG3 ARG 30 2HG ARG 30 -7.150 -3.840 -3.707
227 HD2 ARG 30 1HD ARG 30 -7.122 -5.822 -5.020
228 HD3 ARG 30 2HD ARG 30 -7.430 -6.264 -3.339
229 HE ARG 30 HE ARG 30 -9.532 -7.065 -3.910
230 HH11 ARG 30 2HH1 ARG 30 -8.346 -5.307 -6.705
231 HH12 ARG 30 1HH1 ARG 30 -9.644 -5.875 -7.719
232 HH21 ARG 30 2HH2 ARG 30 -11.153 -7.741 -5.258
233 HH22 ARG 30 1HH2 ARG 30 -11.184 -7.216 -6.915
234 H ILE 31 H ILE 31 -8.850 -1.978 0.179
235 HA ILE 31 HA ILE 31 -11.565 -2.521 1.195
236 HB ILE 31 HB ILE 31 -10.826 -2.132 3.315
237 HG12 ILE 31 1HG1 ILE 31 -8.443 -0.572 2.276
238 HG13 ILE 31 2HG1 ILE 31 -9.824 0.041 3.171
239 HG21 ILE 31 1HG2 ILE 31 -8.981 -3.632 3.618
240 HG22 ILE 31 2HG2 ILE 31 -9.849 -4.159 2.176
241 HG23 ILE 31 3HG2 ILE 31 -8.319 -3.268 2.014
242 HD11 ILE 31 3HD1 ILE 31 -7.655 -1.777 4.263
243 HD12 ILE 31 1HD1 ILE 31 -7.985 -0.086 4.678
244 HD13 ILE 31 2HD1 ILE 31 -9.146 -1.345 5.140
245 H HIS 32 H HIS 32 -9.717 0.229 0.066
246 HA HIS 32 HA HIS 32 -11.569 2.257 1.086
247 HB2 HIS 32 1HB HIS 32 -9.048 2.367 -0.620
248 HB3 HIS 32 2HB HIS 32 -9.931 3.766 -0.064
249 HD1 HIS 32 1HD HIS 32 -10.257 3.572 2.906
250 HD2 HIS 32 2HD HIS 32 -6.957 1.988 0.846
251 HE1 HIS 32 1HE HIS 32 -8.374 3.451 4.606
252 H THR 33 H THR 33 -10.999 0.542 -1.978
253 HA THR 33 HA THR 33 -12.704 2.210 -3.625
254 HB THR 33 HB THR 33 -12.815 0.228 -5.113
255 HG1 THR 33 1HG THR 33 -11.723 -1.612 -4.529
256 HG21 THR 33 3HG2 THR 33 -10.866 1.728 -5.319
257 HG22 THR 33 1HG2 THR 33 -10.439 0.040 -5.666
258 HG23 THR 33 2HG2 THR 33 -9.987 0.765 -4.114
259 H ASN 34 H ASN 34 -13.413 -0.088 -1.151
260 HA ASN 34 HA ASN 34 -15.244 -1.088 -0.358
261 HB2 ASN 34 1HB ASN 34 -15.742 1.365 -0.048
262 HB3 ASN 34 2HB ASN 34 -16.767 1.282 -1.482
263 HD21 ASN 34 1HD2 ASN 34 -18.500 1.994 -0.002
264 HD22 ASN 34 2HD2 ASN 34 -19.275 0.795 1.024
265 H GLU 35 H GLU 35 -14.464 -2.209 -2.754
266 HA GLU 35 HA GLU 35 -16.755 -2.840 -4.437
267 HB2 GLU 35 1HB GLU 35 -14.023 -4.117 -4.055
268 HB3 GLU 35 2HB GLU 35 -15.218 -4.755 -5.174
269 HG2 GLU 35 1HG GLU 35 -14.021 -1.957 -5.272
270 HG3 GLU 35 2HG GLU 35 -13.554 -3.313 -6.293
271 H LYS 36 H LYS 36 -17.777 -4.891 -4.653
272 HA LYS 36 HA LYS 36 -17.939 -6.612 -2.245
273 HB2 LYS 36 1HB LYS 36 -19.603 -4.714 -2.042
274 HB3 LYS 36 2HB LYS 36 -20.345 -5.255 -3.536
275 HG2 LYS 36 1HG LYS 36 -21.625 -6.028 -1.623
276 HG3 LYS 36 2HG LYS 36 -20.973 -7.397 -2.510
277 HD2 LYS 36 1HD LYS 36 -20.859 -7.733 -0.080
278 HD3 LYS 36 2HD LYS 36 -19.246 -7.743 -0.796
279 HE2 LYS 36 1HE LYS 36 -18.897 -5.394 -0.077
280 HE3 LYS 36 2HE LYS 36 -20.536 -5.345 0.586
281 HZ1 LYS 36 3HZ LYS 36 -18.893 -5.801 2.313
282 HZ2 LYS 36 1HZ LYS 36 -18.366 -7.137 1.541
283 HZ3 LYS 36 2HZ LYS 36 -19.880 -7.090 2.156
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 22.675 10.607 11.944
2 H2 GLY 1 2H GLY 1 24.203 10.901 12.468
3 H3 GLY 1 3H GLY 1 23.372 9.607 13.036
4 HA2 GLY 1 1HA GLY 1 24.297 9.974 10.260
5 HA3 GLY 1 2HA GLY 1 25.005 8.861 11.447
6 H SER 2 H SER 2 23.319 8.697 8.762
7 HA SER 2 HA SER 2 21.591 7.566 7.829
8 HB2 SER 2 1HB SER 2 22.189 5.469 9.942
9 HB3 SER 2 2HB SER 2 21.265 5.228 8.449
10 HG SER 2 HG SER 2 24.005 6.001 8.656
11 H SER 3 H SER 3 20.791 9.555 9.582
12 HA SER 3 HA SER 3 18.900 8.749 11.538
13 HB2 SER 3 1HB SER 3 19.144 11.471 10.222
14 HB3 SER 3 2HB SER 3 18.515 11.101 11.836
15 HG SER 3 HG SER 3 20.647 11.856 11.948
16 H GLY 4 H GLY 4 18.421 8.938 8.156
17 HA2 GLY 4 1HA GLY 4 15.687 8.170 8.231
18 HA3 GLY 4 2HA GLY 4 15.768 9.900 7.880
19 H SER 5 H SER 5 14.634 8.669 5.958
20 HA SER 5 HA SER 5 14.573 8.041 3.784
21 HB2 SER 5 1HB SER 5 17.015 9.825 3.587
22 HB3 SER 5 2HB SER 5 15.932 9.369 2.259
23 HG SER 5 HG SER 5 15.397 11.418 3.161
24 H SER 6 H SER 6 15.930 6.067 5.360
25 HA SER 6 HA SER 6 18.250 5.072 3.949
26 HB2 SER 6 1HB SER 6 18.007 3.149 5.508
27 HB3 SER 6 2HB SER 6 18.029 4.727 6.314
28 HG SER 6 HG SER 6 16.356 3.345 7.108
29 H GLY 7 H GLY 7 14.894 4.723 3.293
30 HA2 GLY 7 1HA GLY 7 15.375 3.161 0.930
31 HA3 GLY 7 2HA GLY 7 14.604 2.170 2.172
32 H LYS 8 H LYS 8 13.402 2.714 -0.286
33 HA LYS 8 HA LYS 8 11.423 4.876 0.057
34 HB2 LYS 8 1HB LYS 8 12.584 4.491 -2.089
35 HB3 LYS 8 2HB LYS 8 11.842 2.903 -2.239
36 HG2 LYS 8 1HG LYS 8 10.072 5.342 -1.908
37 HG3 LYS 8 2HG LYS 8 10.886 5.074 -3.447
38 HD2 LYS 8 1HD LYS 8 9.814 2.889 -3.731
39 HD3 LYS 8 2HD LYS 8 9.067 3.007 -2.144
40 HE2 LYS 8 1HE LYS 8 7.371 3.579 -3.677
41 HE3 LYS 8 2HE LYS 8 7.855 5.077 -2.888
42 HZ1 LYS 8 3HZ LYS 8 9.180 5.612 -4.870
43 HZ2 LYS 8 1HZ LYS 8 7.631 5.345 -5.299
44 HZ3 LYS 8 2HZ LYS 8 8.759 4.202 -5.587
45 H ILE 9 H ILE 9 9.354 4.717 0.437
46 HA ILE 9 HA ILE 9 8.018 2.084 0.763
47 HB ILE 9 HB ILE 9 6.749 3.248 2.671
48 HG12 ILE 9 1HG1 ILE 9 8.085 4.854 4.006
49 HG13 ILE 9 2HG1 ILE 9 9.234 5.041 2.718
50 HG21 ILE 9 1HG2 ILE 9 9.677 2.528 3.082
51 HG22 ILE 9 2HG2 ILE 9 8.393 2.498 4.307
52 HG23 ILE 9 3HG2 ILE 9 8.332 1.376 2.943
53 HD11 ILE 9 3HD1 ILE 9 7.510 6.879 2.948
54 HD12 ILE 9 1HD1 ILE 9 7.602 6.177 1.333
55 HD13 ILE 9 2HD1 ILE 9 6.272 5.719 2.428
56 H PHE 10 H PHE 10 5.684 2.232 0.737
57 HA PHE 10 HA PHE 10 4.654 4.234 -1.253
58 HB2 PHE 10 1HB PHE 10 4.037 1.278 -0.861
59 HB3 PHE 10 2HB PHE 10 3.121 2.349 -1.902
60 HD1 PHE 10 2HD PHE 10 6.448 0.735 -1.447
61 HD2 PHE 10 1HD PHE 10 3.885 3.000 -4.074
62 HE1 PHE 10 2HE PHE 10 7.964 0.240 -3.355
63 HE2 PHE 10 1HE PHE 10 5.388 2.487 -5.981
64 HZ PHE 10 HZ PHE 10 7.397 1.075 -5.638
65 H THR 11 H THR 11 3.105 5.555 -0.446
66 HA THR 11 HA THR 11 1.823 4.848 2.151
67 HB THR 11 HB THR 11 1.908 7.602 0.911
68 HG1 THR 11 1HG THR 11 3.764 7.961 2.090
69 HG21 THR 11 3HG2 THR 11 1.843 8.249 3.351
70 HG22 THR 11 1HG2 THR 11 1.643 6.532 3.763
71 HG23 THR 11 2HG2 THR 11 0.401 7.385 2.808
72 H CYS 12 H CYS 12 -0.281 4.629 2.419
73 HA CYS 12 HA CYS 12 -2.208 4.705 0.279
74 HB2 CYS 12 1HB CYS 12 -2.253 3.169 2.207
75 HB3 CYS 12 2HB CYS 12 -2.462 4.548 3.304
76 H GLU 13 H GLU 13 -3.244 6.390 -0.537
77 HA GLU 13 HA GLU 13 -3.026 9.036 0.651
78 HB2 GLU 13 1HB GLU 13 -4.213 9.821 -1.291
79 HB3 GLU 13 2HB GLU 13 -2.966 8.675 -1.782
80 HG2 GLU 13 1HG GLU 13 -4.704 6.900 -2.010
81 HG3 GLU 13 2HG GLU 13 -5.946 8.071 -1.548
82 H TYR 14 H TYR 14 -5.087 6.488 1.354
83 HA TYR 14 HA TYR 14 -7.455 8.179 1.986
84 HB2 TYR 14 1HB TYR 14 -7.085 5.182 1.875
85 HB3 TYR 14 2HB TYR 14 -8.596 6.012 2.183
86 HD1 TYR 14 1HD TYR 14 -9.693 7.362 0.375
87 HD2 TYR 14 2HD TYR 14 -6.241 4.878 -0.395
88 HE1 TYR 14 1HE TYR 14 -10.202 7.396 -2.066
89 HE2 TYR 14 2HE TYR 14 -6.750 4.931 -2.826
90 HH TYR 14 HH TYR 14 -8.165 5.682 -4.466
91 H CYS 15 H CYS 15 -5.093 6.041 3.600
92 HA CYS 15 HA CYS 15 -6.058 7.065 6.221
93 HB2 CYS 15 1HB CYS 15 -5.958 4.930 7.253
94 HB3 CYS 15 2HB CYS 15 -7.073 4.894 5.892
95 H ASN 16 H ASN 16 -3.435 7.017 4.269
96 HA ASN 16 HA ASN 16 -1.250 7.429 4.486
97 HB2 ASN 16 1HB ASN 16 -2.008 8.527 7.202
98 HB3 ASN 16 2HB ASN 16 -0.488 8.813 6.367
99 HD21 ASN 16 1HD2 ASN 16 -3.925 9.607 6.386
100 HD22 ASN 16 2HD2 ASN 16 -3.784 10.876 5.177
101 H LYS 17 H LYS 17 -2.159 4.719 5.374
102 HA LYS 17 HA LYS 17 0.008 3.756 7.088
103 HB2 LYS 17 1HB LYS 17 -2.209 2.629 6.938
104 HB3 LYS 17 2HB LYS 17 -1.887 2.226 5.248
105 HG2 LYS 17 1HG LYS 17 -0.019 0.805 5.871
106 HG3 LYS 17 2HG LYS 17 -0.081 1.365 7.552
107 HD2 LYS 17 1HD LYS 17 -2.259 0.307 7.878
108 HD3 LYS 17 2HD LYS 17 -2.320 -0.180 6.171
109 HE2 LYS 17 1HE LYS 17 -0.287 -1.561 6.475
110 HE3 LYS 17 2HE LYS 17 -0.166 -1.038 8.160
111 HZ1 LYS 17 3HZ LYS 17 -2.300 -2.130 8.592
112 HZ2 LYS 17 1HZ LYS 17 -1.235 -3.207 7.992
113 HZ3 LYS 17 2HZ LYS 17 -2.420 -2.620 7.037
114 H VAL 18 H VAL 18 1.873 2.749 6.439
115 HA VAL 18 HA VAL 18 2.701 3.134 3.604
116 HB VAL 18 HB VAL 18 5.075 3.090 4.665
117 HG11 VAL 18 1HG1 VAL 18 5.059 5.517 4.805
118 HG12 VAL 18 2HG1 VAL 18 4.086 4.959 3.436
119 HG13 VAL 18 3HG1 VAL 18 3.287 5.523 4.925
120 HG21 VAL 18 3HG2 VAL 18 4.284 2.654 7.023
121 HG22 VAL 18 1HG2 VAL 18 5.272 4.117 6.839
122 HG23 VAL 18 2HG2 VAL 18 3.514 4.268 6.994
123 H PHE 19 H PHE 19 3.746 1.671 2.490
124 HA PHE 19 HA PHE 19 4.134 -1.074 3.610
125 HB2 PHE 19 1HB PHE 19 3.047 -0.330 0.874
126 HB3 PHE 19 2HB PHE 19 3.299 -1.951 1.495
127 HD1 PHE 19 2HD PHE 19 1.207 1.113 1.853
128 HD2 PHE 19 1HD PHE 19 1.697 -3.031 2.932
129 HE1 PHE 19 2HE PHE 19 -1.030 1.132 2.939
130 HE2 PHE 19 1HE PHE 19 -0.560 -3.025 3.969
131 HZ PHE 19 HZ PHE 19 -1.905 -0.936 3.999
132 H LYS 20 H LYS 20 5.591 -2.416 2.405
133 HA LYS 20 HA LYS 20 8.060 -0.996 1.756
134 HB2 LYS 20 1HB LYS 20 7.409 -3.951 1.956
135 HB3 LYS 20 2HB LYS 20 9.028 -3.254 1.745
136 HG2 LYS 20 1HG LYS 20 8.682 -1.921 3.862
137 HG3 LYS 20 2HG LYS 20 7.122 -2.724 4.073
138 HD2 LYS 20 1HD LYS 20 8.722 -3.800 5.478
139 HD3 LYS 20 2HD LYS 20 8.270 -4.918 4.176
140 HE2 LYS 20 1HE LYS 20 10.373 -4.374 2.974
141 HE3 LYS 20 2HE LYS 20 10.798 -3.202 4.228
142 HZ1 LYS 20 3HZ LYS 20 10.893 -5.044 5.822
143 HZ2 LYS 20 1HZ LYS 20 11.914 -5.330 4.583
144 HZ3 LYS 20 2HZ LYS 20 10.493 -6.127 4.667
145 H PHE 21 H PHE 21 5.585 -2.537 -0.132
146 HA PHE 21 HA PHE 21 7.147 -2.203 -2.645
147 HB2 PHE 21 1HB PHE 21 5.429 -4.608 -1.932
148 HB3 PHE 21 2HB PHE 21 6.367 -4.371 -3.395
149 HD1 PHE 21 2HD PHE 21 8.967 -4.141 -3.133
150 HD2 PHE 21 1HD PHE 21 6.372 -5.754 -0.087
151 HE1 PHE 21 2HE PHE 21 10.913 -5.251 -2.058
152 HE2 PHE 21 1HE PHE 21 8.321 -6.860 0.985
153 HZ PHE 21 HZ PHE 21 10.594 -6.608 0.003
154 H LYS 22 H LYS 22 5.894 -1.926 -4.535
155 HA LYS 22 HA LYS 22 3.647 -0.247 -4.293
156 HB2 LYS 22 1HB LYS 22 5.249 -0.411 -6.241
157 HB3 LYS 22 2HB LYS 22 4.454 -1.911 -6.726
158 HG2 LYS 22 1HG LYS 22 2.303 -0.685 -6.907
159 HG3 LYS 22 2HG LYS 22 3.120 0.825 -6.459
160 HD2 LYS 22 1HD LYS 22 4.592 0.614 -8.459
161 HD3 LYS 22 2HD LYS 22 3.742 -0.878 -8.919
162 HE2 LYS 22 1HE LYS 22 1.607 0.396 -9.070
163 HE3 LYS 22 2HE LYS 22 2.461 1.878 -8.618
164 HZ1 LYS 22 3HZ LYS 22 2.206 1.703 -11.027
165 HZ2 LYS 22 1HZ LYS 22 3.003 0.281 -11.068
166 HZ3 LYS 22 2HZ LYS 22 3.791 1.651 -10.650
167 H HIS 23 H HIS 23 3.675 -3.698 -5.230
168 HA HIS 23 HA HIS 23 0.874 -3.935 -5.615
169 HB2 HIS 23 1HB HIS 23 1.281 -6.347 -5.587
170 HB3 HIS 23 2HB HIS 23 2.491 -5.507 -6.543
171 HD1 HIS 23 1HD HIS 23 5.017 -5.919 -5.818
172 HD2 HIS 23 2HD HIS 23 2.113 -7.282 -3.090
173 HE1 HIS 23 1HE HIS 23 6.276 -7.203 -4.012
174 H SER 24 H SER 24 2.691 -3.902 -2.664
175 HA SER 24 HA SER 24 0.714 -5.274 -0.983
176 HB2 SER 24 1HB SER 24 3.105 -3.510 -0.352
177 HB3 SER 24 2HB SER 24 2.011 -4.153 0.868
178 HG SER 24 HG SER 24 3.417 -5.751 -1.043
179 H LEU 25 H LEU 25 1.537 -1.834 -1.649
180 HA LEU 25 HA LEU 25 -0.644 -0.758 -0.100
181 HB2 LEU 25 1HB LEU 25 1.233 0.659 -0.683
182 HB3 LEU 25 2HB LEU 25 1.026 0.326 -2.404
183 HG LEU 25 HG LEU 25 -1.150 1.512 -2.405
184 HD11 LEU 25 1HD1 LEU 25 -0.505 2.267 0.476
185 HD12 LEU 25 2HD1 LEU 25 -1.786 1.134 -0.007
186 HD13 LEU 25 3HD1 LEU 25 -1.884 2.809 -0.507
187 HD21 LEU 25 3HD2 LEU 25 1.065 3.168 -1.186
188 HD22 LEU 25 1HD2 LEU 25 -0.297 3.761 -2.156
189 HD23 LEU 25 2HD2 LEU 25 0.930 2.721 -2.906
190 H GLN 26 H GLN 26 -0.264 -1.625 -3.546
191 HA GLN 26 HA GLN 26 -2.741 -0.513 -4.429
192 HB2 GLN 26 1HB GLN 26 -0.944 -2.665 -5.573
193 HB3 GLN 26 2HB GLN 26 -2.403 -2.154 -6.404
194 HG2 GLN 26 1HG GLN 26 -0.182 -0.227 -5.580
195 HG3 GLN 26 2HG GLN 26 -0.276 -0.998 -7.160
196 HE21 GLN 26 1HE2 GLN 26 -0.358 1.907 -6.540
197 HE22 GLN 26 2HE2 GLN 26 -1.892 2.447 -7.205
198 H ALA 27 H ALA 27 -2.088 -3.731 -3.133
199 HA ALA 27 HA ALA 27 -4.806 -4.731 -3.485
200 HB1 ALA 27 1HB ALA 27 -3.974 -6.503 -1.963
201 HB2 ALA 27 2HB ALA 27 -2.819 -6.184 -3.285
202 HB3 ALA 27 3HB ALA 27 -2.509 -5.537 -1.653
203 H HIS 28 H HIS 28 -3.066 -3.044 -0.812
204 HA HIS 28 HA HIS 28 -5.181 -3.240 1.122
205 HB2 HIS 28 1HB HIS 28 -3.022 -2.671 1.891
206 HB3 HIS 28 2HB HIS 28 -2.827 -1.370 0.732
207 HD1 HIS 28 1HD HIS 28 -4.749 -2.094 3.993
208 HD2 HIS 28 2HD HIS 28 -3.742 1.019 1.357
209 HE1 HIS 28 1HE HIS 28 -5.423 0.051 5.169
210 H LEU 29 H LEU 29 -4.697 -0.977 -1.607
211 HA LEU 29 HA LEU 29 -6.682 0.925 -0.966
212 HB2 LEU 29 1HB LEU 29 -6.140 -0.168 -3.749
213 HB3 LEU 29 2HB LEU 29 -6.868 1.381 -3.340
214 HG LEU 29 HG LEU 29 -4.007 0.525 -2.882
215 HD11 LEU 29 1HD1 LEU 29 -3.473 2.283 -4.462
216 HD12 LEU 29 2HD1 LEU 29 -5.198 2.711 -4.602
217 HD13 LEU 29 3HD1 LEU 29 -4.613 1.122 -5.169
218 HD21 LEU 29 3HD2 LEU 29 -4.576 1.959 -0.988
219 HD22 LEU 29 1HD2 LEU 29 -5.435 3.095 -2.049
220 HD23 LEU 29 2HD2 LEU 29 -3.665 2.939 -2.140
221 H ARG 30 H ARG 30 -7.187 -2.384 -2.019
222 HA ARG 30 HA ARG 30 -9.860 -2.113 -3.000
223 HB2 ARG 30 1HB ARG 30 -8.558 -4.559 -1.741
224 HB3 ARG 30 2HB ARG 30 -10.007 -4.507 -2.753
225 HG2 ARG 30 1HG ARG 30 -8.673 -3.659 -4.662
226 HG3 ARG 30 2HG ARG 30 -7.202 -3.745 -3.697
227 HD2 ARG 30 1HD ARG 30 -7.331 -6.129 -3.505
228 HD3 ARG 30 2HD ARG 30 -8.976 -6.178 -4.132
229 HE ARG 30 HE ARG 30 -6.488 -5.928 -5.686
230 HH11 ARG 30 2HH1 ARG 30 -10.014 -5.626 -5.892
231 HH12 ARG 30 1HH1 ARG 30 -9.928 -5.773 -7.654
232 HH21 ARG 30 1HH2 ARG 30 -6.636 -6.095 -7.964
233 HH22 ARG 30 2HH2 ARG 30 -8.248 -6.003 -8.680
234 H ILE 31 H ILE 31 -8.859 -1.833 0.261
235 HA ILE 31 HA ILE 31 -11.565 -2.394 1.316
236 HB ILE 31 HB ILE 31 -10.805 -1.989 3.424
237 HG12 ILE 31 1HG1 ILE 31 -8.401 -0.485 2.359
238 HG13 ILE 31 2HG1 ILE 31 -9.766 0.164 3.254
239 HG21 ILE 31 1HG2 ILE 31 -9.879 -4.043 2.292
240 HG22 ILE 31 2HG2 ILE 31 -8.335 -3.182 2.105
241 HG23 ILE 31 3HG2 ILE 31 -8.983 -3.525 3.720
242 HD11 ILE 31 3HD1 ILE 31 -9.113 -1.224 5.230
243 HD12 ILE 31 1HD1 ILE 31 -7.631 -1.686 4.355
244 HD13 ILE 31 2HD1 ILE 31 -7.932 0.013 4.760
245 H HIS 32 H HIS 32 -9.805 0.301 0.064
246 HA HIS 32 HA HIS 32 -11.628 2.377 1.101
247 HB2 HIS 32 1HB HIS 32 -9.045 2.437 -0.519
248 HB3 HIS 32 2HB HIS 32 -9.903 3.848 0.018
249 HD1 HIS 32 1HD HIS 32 -10.258 3.680 2.990
250 HD2 HIS 32 2HD HIS 32 -7.007 1.967 0.959
251 HE1 HIS 32 1HE HIS 32 -8.381 3.522 4.697
252 H THR 33 H THR 33 -10.877 0.693 -1.915
253 HA THR 33 HA THR 33 -13.070 2.135 -3.331
254 HB THR 33 HB THR 33 -10.751 3.059 -3.869
255 HG1 THR 33 1HG THR 33 -12.301 3.542 -5.265
256 HG21 THR 33 3HG2 THR 33 -9.540 0.865 -4.041
257 HG22 THR 33 1HG2 THR 33 -9.379 1.885 -5.475
258 HG23 THR 33 2HG2 THR 33 -10.473 0.487 -5.495
259 H ASN 34 H ASN 34 -13.592 1.007 -5.461
260 HA ASN 34 HA ASN 34 -13.535 -1.964 -5.141
261 HB2 ASN 34 1HB ASN 34 -15.729 -0.865 -4.468
262 HB3 ASN 34 2HB ASN 34 -15.900 -0.335 -6.143
263 HD21 ASN 34 1HD2 ASN 34 -17.956 -1.619 -5.939
264 HD22 ASN 34 2HD2 ASN 34 -17.853 -3.351 -6.220
265 H GLU 35 H GLU 35 -13.807 -3.170 -7.117
266 HA GLU 35 HA GLU 35 -12.285 -1.996 -9.358
267 HB2 GLU 35 1HB GLU 35 -11.850 -4.261 -8.244
268 HB3 GLU 35 2HB GLU 35 -13.284 -4.850 -9.091
269 HG2 GLU 35 1HG GLU 35 -12.221 -4.316 -11.261
270 HG3 GLU 35 2HG GLU 35 -10.850 -3.578 -10.431
271 H LYS 36 H LYS 36 -12.972 -2.186 -11.559
272 HA LYS 36 HA LYS 36 -14.323 -1.526 -13.253
273 HB2 LYS 36 1HB LYS 36 -16.268 -3.540 -12.087
274 HB3 LYS 36 2HB LYS 36 -16.332 -2.842 -13.709
275 HG2 LYS 36 1HG LYS 36 -14.073 -3.816 -14.192
276 HG3 LYS 36 2HG LYS 36 -14.118 -4.636 -12.626
277 HD2 LYS 36 1HD LYS 36 -16.123 -5.034 -14.887
278 HD3 LYS 36 2HD LYS 36 -14.773 -6.109 -14.500
279 HE2 LYS 36 1HE LYS 36 -15.736 -6.508 -12.238
280 HE3 LYS 36 2HE LYS 36 -17.107 -5.466 -12.642
281 HZ1 LYS 36 3HZ LYS 36 -17.645 -7.802 -13.000
282 HZ2 LYS 36 1HZ LYS 36 -16.415 -7.986 -14.055
283 HZ3 LYS 36 2HZ LYS 36 -17.678 -7.019 -14.431
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 10.959 10.916 12.330
2 H2 GLY 1 2H GLY 1 9.379 10.492 12.283
3 H3 GLY 1 3H GLY 1 10.037 11.338 11.043
4 HA2 GLY 1 1HA GLY 1 9.755 9.047 10.391
5 HA3 GLY 1 2HA GLY 1 11.469 9.496 10.458
6 H SER 2 H SER 2 11.715 7.108 10.616
7 HA SER 2 HA SER 2 11.965 6.266 13.436
8 HB2 SER 2 1HB SER 2 9.735 5.446 12.827
9 HB3 SER 2 2HB SER 2 10.391 4.665 11.375
10 HG SER 2 HG SER 2 10.113 3.282 13.278
11 H SER 3 H SER 3 13.608 4.801 13.781
12 HA SER 3 HA SER 3 15.634 4.321 11.785
13 HB2 SER 3 1HB SER 3 15.155 2.914 14.441
14 HB3 SER 3 2HB SER 3 16.651 2.885 13.486
15 HG SER 3 HG SER 3 16.732 4.443 15.175
16 H GLY 4 H GLY 4 12.640 2.700 12.454
17 HA2 GLY 4 1HA GLY 4 13.301 0.080 11.385
18 HA3 GLY 4 2HA GLY 4 11.694 0.751 11.674
19 H SER 5 H SER 5 12.789 3.125 9.805
20 HA SER 5 HA SER 5 11.662 2.075 7.325
21 HB2 SER 5 1HB SER 5 12.911 4.767 7.979
22 HB3 SER 5 2HB SER 5 12.071 4.348 6.472
23 HG SER 5 HG SER 5 10.666 5.377 7.954
24 H SER 6 H SER 6 13.144 0.356 6.916
25 HA SER 6 HA SER 6 15.962 0.773 6.545
26 HB2 SER 6 1HB SER 6 15.940 -1.595 5.835
27 HB3 SER 6 2HB SER 6 15.079 -1.320 7.357
28 HG SER 6 HG SER 6 13.906 -2.678 5.903
29 H GLY 7 H GLY 7 13.451 1.512 4.382
30 HA2 GLY 7 1HA GLY 7 15.224 2.183 2.221
31 HA3 GLY 7 2HA GLY 7 14.358 0.689 1.859
32 H LYS 8 H LYS 8 13.622 2.086 0.055
33 HA LYS 8 HA LYS 8 11.798 4.277 0.444
34 HB2 LYS 8 1HB LYS 8 13.198 3.780 -1.583
35 HB3 LYS 8 2HB LYS 8 12.119 2.453 -1.994
36 HG2 LYS 8 1HG LYS 8 11.060 5.276 -1.615
37 HG3 LYS 8 2HG LYS 8 11.888 4.827 -3.104
38 HD2 LYS 8 1HD LYS 8 10.243 3.082 -3.592
39 HD3 LYS 8 2HD LYS 8 9.414 3.395 -2.067
40 HE2 LYS 8 1HE LYS 8 9.271 5.873 -2.917
41 HE3 LYS 8 2HE LYS 8 9.623 5.183 -4.507
42 HZ1 LYS 8 3HZ LYS 8 7.354 4.481 -2.725
43 HZ2 LYS 8 1HZ LYS 8 7.641 3.728 -4.157
44 HZ3 LYS 8 2HZ LYS 8 7.236 5.317 -4.131
45 H ILE 9 H ILE 9 9.649 4.401 0.574
46 HA ILE 9 HA ILE 9 8.036 1.909 0.815
47 HB ILE 9 HB ILE 9 6.784 3.180 2.631
48 HG12 ILE 9 1HG1 ILE 9 8.065 4.794 3.965
49 HG13 ILE 9 2HG1 ILE 9 9.327 4.873 2.760
50 HG21 ILE 9 1HG2 ILE 9 8.284 1.265 3.031
51 HG22 ILE 9 2HG2 ILE 9 9.663 2.373 3.188
52 HG23 ILE 9 3HG2 ILE 9 8.328 2.434 4.356
53 HD11 ILE 9 3HD1 ILE 9 7.699 6.798 2.753
54 HD12 ILE 9 1HD1 ILE 9 7.845 5.990 1.189
55 HD13 ILE 9 2HD1 ILE 9 6.430 5.675 2.225
56 H PHE 10 H PHE 10 5.704 2.327 0.823
57 HA PHE 10 HA PHE 10 4.818 4.364 -1.197
58 HB2 PHE 10 1HB PHE 10 4.109 1.409 -0.956
59 HB3 PHE 10 2HB PHE 10 3.215 2.552 -1.937
60 HD1 PHE 10 2HD PHE 10 6.528 0.874 -1.570
61 HD2 PHE 10 1HD PHE 10 3.955 3.243 -4.097
62 HE1 PHE 10 2HE PHE 10 8.027 0.443 -3.506
63 HE2 PHE 10 1HE PHE 10 5.440 2.791 -6.032
64 HZ PHE 10 HZ PHE 10 7.451 1.364 -5.752
65 H THR 11 H THR 11 3.145 5.614 -0.484
66 HA THR 11 HA THR 11 1.901 4.910 2.138
67 HB THR 11 HB THR 11 1.963 7.664 0.899
68 HG1 THR 11 1HG THR 11 3.828 8.039 2.058
69 HG21 THR 11 3HG2 THR 11 1.912 8.314 3.333
70 HG22 THR 11 1HG2 THR 11 1.748 6.594 3.756
71 HG23 THR 11 2HG2 THR 11 0.476 7.424 2.816
72 H CYS 12 H CYS 12 -0.213 4.742 2.443
73 HA CYS 12 HA CYS 12 -2.123 4.784 0.272
74 HB2 CYS 12 1HB CYS 12 -2.201 3.267 2.222
75 HB3 CYS 12 2HB CYS 12 -2.439 4.662 3.293
76 H GLU 13 H GLU 13 -3.214 6.454 -0.529
77 HA GLU 13 HA GLU 13 -2.960 9.107 0.668
78 HB2 GLU 13 1HB GLU 13 -4.127 9.917 -1.278
79 HB3 GLU 13 2HB GLU 13 -2.868 8.782 -1.765
80 HG2 GLU 13 1HG GLU 13 -4.595 7.004 -2.044
81 HG3 GLU 13 2HG GLU 13 -5.849 8.164 -1.585
82 H TYR 14 H TYR 14 -5.051 6.541 1.277
83 HA TYR 14 HA TYR 14 -7.422 8.226 1.899
84 HB2 TYR 14 1HB TYR 14 -7.053 5.232 1.751
85 HB3 TYR 14 2HB TYR 14 -8.567 6.056 2.045
86 HD1 TYR 14 1HD TYR 14 -9.614 7.457 0.228
87 HD2 TYR 14 2HD TYR 14 -6.171 4.950 -0.493
88 HE1 TYR 14 1HE TYR 14 -10.063 7.541 -2.219
89 HE2 TYR 14 2HE TYR 14 -6.627 5.043 -2.942
90 HH TYR 14 HH TYR 14 -9.393 6.866 -4.304
91 H CYS 15 H CYS 15 -5.084 6.086 3.535
92 HA CYS 15 HA CYS 15 -6.117 7.068 6.147
93 HB2 CYS 15 1HB CYS 15 -6.013 4.917 7.163
94 HB3 CYS 15 2HB CYS 15 -7.116 4.897 5.792
95 H ASN 16 H ASN 16 -3.483 7.076 4.241
96 HA ASN 16 HA ASN 16 -1.318 7.560 4.494
97 HB2 ASN 16 1HB ASN 16 -2.034 8.600 7.236
98 HB3 ASN 16 2HB ASN 16 -0.693 9.103 6.207
99 HD21 ASN 16 1HD2 ASN 16 -1.566 9.782 3.826
100 HD22 ASN 16 2HD2 ASN 16 -2.915 10.901 3.922
101 H LYS 17 H LYS 17 -2.079 4.822 5.370
102 HA LYS 17 HA LYS 17 0.143 4.044 7.139
103 HB2 LYS 17 1HB LYS 17 -1.937 2.714 7.167
104 HB3 LYS 17 2HB LYS 17 -1.749 2.350 5.443
105 HG2 LYS 17 1HG LYS 17 0.347 1.184 5.872
106 HG3 LYS 17 2HG LYS 17 0.297 1.623 7.590
107 HD2 LYS 17 1HD LYS 17 -1.728 0.218 7.855
108 HD3 LYS 17 2HD LYS 17 -1.663 -0.212 6.143
109 HE2 LYS 17 1HE LYS 17 0.448 -0.814 8.270
110 HE3 LYS 17 2HE LYS 17 -0.663 -1.976 7.547
111 HZ1 LYS 17 3HZ LYS 17 1.487 -2.140 6.493
112 HZ2 LYS 17 1HZ LYS 17 1.533 -0.554 6.109
113 HZ3 LYS 17 2HZ LYS 17 0.446 -1.538 5.384
114 H VAL 18 H VAL 18 2.033 3.092 6.480
115 HA VAL 18 HA VAL 18 2.745 3.295 3.600
116 HB VAL 18 HB VAL 18 5.155 3.096 4.553
117 HG11 VAL 18 1HG1 VAL 18 5.296 5.533 4.678
118 HG12 VAL 18 2HG1 VAL 18 4.264 5.014 3.340
119 HG13 VAL 18 3HG1 VAL 18 3.530 5.642 4.835
120 HG21 VAL 18 3HG2 VAL 18 4.418 2.741 6.948
121 HG22 VAL 18 1HG2 VAL 18 5.512 4.122 6.709
122 HG23 VAL 18 2HG2 VAL 18 3.775 4.410 6.923
123 H PHE 19 H PHE 19 3.861 1.776 2.557
124 HA PHE 19 HA PHE 19 4.027 -0.999 3.644
125 HB2 PHE 19 1HB PHE 19 3.024 -0.138 0.905
126 HB3 PHE 19 2HB PHE 19 3.219 -1.789 1.448
127 HD1 PHE 19 2HD PHE 19 1.247 1.337 2.051
128 HD2 PHE 19 1HD PHE 19 1.493 -2.927 2.630
129 HE1 PHE 19 2HE PHE 19 -1.008 1.349 3.080
130 HE2 PHE 19 1HE PHE 19 -0.800 -2.926 3.592
131 HZ PHE 19 HZ PHE 19 -2.020 -0.777 3.877
132 H LYS 20 H LYS 20 5.511 -2.360 2.450
133 HA LYS 20 HA LYS 20 7.994 -0.942 1.823
134 HB2 LYS 20 1HB LYS 20 7.359 -3.920 1.884
135 HB3 LYS 20 2HB LYS 20 8.971 -3.189 1.841
136 HG2 LYS 20 1HG LYS 20 8.439 -2.040 4.029
137 HG3 LYS 20 2HG LYS 20 6.907 -2.935 4.077
138 HD2 LYS 20 1HD LYS 20 8.175 -5.086 4.011
139 HD3 LYS 20 2HD LYS 20 9.701 -4.172 4.006
140 HE2 LYS 20 1HE LYS 20 9.076 -3.141 6.184
141 HE3 LYS 20 2HE LYS 20 7.570 -4.071 6.189
142 HZ1 LYS 20 3HZ LYS 20 9.289 -5.165 7.511
143 HZ2 LYS 20 1HZ LYS 20 10.299 -5.251 6.234
144 HZ3 LYS 20 2HZ LYS 20 8.908 -6.110 6.238
145 H PHE 21 H PHE 21 5.525 -2.442 -0.100
146 HA PHE 21 HA PHE 21 7.122 -2.082 -2.588
147 HB2 PHE 21 1HB PHE 21 5.369 -4.481 -1.948
148 HB3 PHE 21 2HB PHE 21 6.351 -4.232 -3.379
149 HD1 PHE 21 1HD PHE 21 8.939 -4.074 -3.062
150 HD2 PHE 21 2HD PHE 21 6.249 -5.624 -0.067
151 HE1 PHE 21 1HE PHE 21 10.841 -5.209 -1.937
152 HE2 PHE 21 2HE PHE 21 8.156 -6.742 1.066
153 HZ PHE 21 HZ PHE 21 10.454 -6.539 0.130
154 H LYS 22 H LYS 22 5.920 -1.721 -4.478
155 HA LYS 22 HA LYS 22 3.640 -0.079 -4.265
156 HB2 LYS 22 1HB LYS 22 5.291 -0.183 -6.176
157 HB3 LYS 22 2HB LYS 22 4.539 -1.688 -6.704
158 HG2 LYS 22 1HG LYS 22 2.370 -0.505 -6.926
159 HG3 LYS 22 2HG LYS 22 3.140 1.014 -6.428
160 HD2 LYS 22 1HD LYS 22 4.661 0.884 -8.392
161 HD3 LYS 22 2HD LYS 22 3.879 -0.631 -8.895
162 HE2 LYS 22 1HE LYS 22 1.706 0.563 -9.095
163 HE3 LYS 22 2HE LYS 22 2.486 2.071 -8.597
164 HZ1 LYS 22 3HZ LYS 22 3.165 0.532 -11.050
165 HZ2 LYS 22 1HZ LYS 22 3.886 1.925 -10.589
166 HZ3 LYS 22 2HZ LYS 22 2.312 1.923 -11.015
167 H HIS 23 H HIS 23 3.747 -3.508 -5.292
168 HA HIS 23 HA HIS 23 0.960 -3.773 -5.739
169 HB2 HIS 23 1HB HIS 23 1.397 -6.176 -5.785
170 HB3 HIS 23 2HB HIS 23 2.624 -5.292 -6.680
171 HD1 HIS 23 1HD HIS 23 5.134 -5.700 -5.896
172 HD2 HIS 23 2HD HIS 23 2.170 -7.194 -3.306
173 HE1 HIS 23 1HE HIS 23 6.356 -7.037 -4.104
174 H SER 24 H SER 24 2.721 -3.817 -2.752
175 HA SER 24 HA SER 24 0.712 -5.255 -1.165
176 HB2 SER 24 1HB SER 24 3.096 -3.525 -0.413
177 HB3 SER 24 2HB SER 24 1.978 -4.225 0.757
178 HG SER 24 HG SER 24 3.416 -5.736 -1.201
179 H LEU 25 H LEU 25 1.553 -1.803 -1.698
180 HA LEU 25 HA LEU 25 -0.636 -0.758 -0.132
181 HB2 LEU 25 1HB LEU 25 1.240 0.671 -0.664
182 HB3 LEU 25 2HB LEU 25 1.056 0.376 -2.395
183 HG LEU 25 HG LEU 25 -1.118 1.569 -2.398
184 HD11 LEU 25 1HD1 LEU 25 -1.874 2.833 -0.490
185 HD12 LEU 25 2HD1 LEU 25 -0.496 2.290 0.497
186 HD13 LEU 25 3HD1 LEU 25 -1.765 1.153 -0.002
187 HD21 LEU 25 3HD2 LEU 25 -0.248 3.809 -2.097
188 HD22 LEU 25 1HD2 LEU 25 0.970 2.775 -2.865
189 HD23 LEU 25 2HD2 LEU 25 1.108 3.183 -1.136
190 H GLN 26 H GLN 26 -0.241 -1.550 -3.593
191 HA GLN 26 HA GLN 26 -2.734 -0.474 -4.478
192 HB2 GLN 26 1HB GLN 26 -0.908 -2.600 -5.621
193 HB3 GLN 26 2HB GLN 26 -2.373 -2.106 -6.452
194 HG2 GLN 26 1HG GLN 26 -0.184 -0.146 -5.624
195 HG3 GLN 26 2HG GLN 26 -0.252 -0.927 -7.199
196 HE21 GLN 26 1HE2 GLN 26 -0.396 1.982 -6.578
197 HE22 GLN 26 2HE2 GLN 26 -1.931 2.492 -7.264
198 H ALA 27 H ALA 27 -2.012 -3.702 -3.214
199 HA ALA 27 HA ALA 27 -4.685 -4.780 -3.575
200 HB1 ALA 27 1HB ALA 27 -2.645 -6.147 -3.354
201 HB2 ALA 27 2HB ALA 27 -2.381 -5.495 -1.718
202 HB3 ALA 27 3HB ALA 27 -3.799 -6.522 -2.049
203 H HIS 28 H HIS 28 -3.064 -2.995 -0.908
204 HA HIS 28 HA HIS 28 -5.201 -3.273 1.006
205 HB2 HIS 28 1HB HIS 28 -3.089 -2.668 1.835
206 HB3 HIS 28 2HB HIS 28 -2.856 -1.389 0.662
207 HD1 HIS 28 1HD HIS 28 -4.827 -2.044 3.902
208 HD2 HIS 28 2HD HIS 28 -3.764 1.016 1.224
209 HE1 HIS 28 1HE HIS 28 -5.473 0.128 5.044
210 H LEU 29 H LEU 29 -4.711 -0.976 -1.697
211 HA LEU 29 HA LEU 29 -6.727 0.892 -1.071
212 HB2 LEU 29 1HB LEU 29 -6.136 -0.163 -3.858
213 HB3 LEU 29 2HB LEU 29 -6.876 1.377 -3.441
214 HG LEU 29 HG LEU 29 -4.020 0.526 -2.941
215 HD11 LEU 29 1HD1 LEU 29 -4.581 1.130 -5.239
216 HD12 LEU 29 2HD1 LEU 29 -3.461 2.293 -4.506
217 HD13 LEU 29 3HD1 LEU 29 -5.184 2.713 -4.682
218 HD21 LEU 29 3HD2 LEU 29 -4.639 1.950 -1.054
219 HD22 LEU 29 1HD2 LEU 29 -5.472 3.090 -2.128
220 HD23 LEU 29 2HD2 LEU 29 -3.700 2.936 -2.176
221 H ARG 30 H ARG 30 -7.180 -2.405 -2.138
222 HA ARG 30 HA ARG 30 -9.815 -2.194 -3.183
223 HB2 ARG 30 1HB ARG 30 -8.555 -4.602 -1.880
224 HB3 ARG 30 2HB ARG 30 -9.964 -4.547 -2.954
225 HG2 ARG 30 1HG ARG 30 -8.489 -3.567 -4.769
226 HG3 ARG 30 2HG ARG 30 -7.106 -3.803 -3.706
227 HD2 ARG 30 1HD ARG 30 -7.102 -5.680 -5.094
228 HD3 ARG 30 2HD ARG 30 -7.767 -6.240 -3.544
229 HE ARG 30 HE ARG 30 -9.726 -5.394 -5.616
230 HH11 ARG 30 2HH1 ARG 30 -8.110 -8.228 -4.296
231 HH12 ARG 30 1HH1 ARG 30 -9.321 -9.291 -4.961
232 HH21 ARG 30 2HH2 ARG 30 -11.123 -6.696 -6.378
233 HH22 ARG 30 1HH2 ARG 30 -11.030 -8.446 -6.151
234 H ILE 31 H ILE 31 -8.817 -2.051 0.163
235 HA ILE 31 HA ILE 31 -11.528 -2.566 1.177
236 HB ILE 31 HB ILE 31 -10.793 -2.215 3.300
237 HG12 ILE 31 1HG1 ILE 31 -8.406 -0.630 2.303
238 HG13 ILE 31 2HG1 ILE 31 -9.796 -0.036 3.196
239 HG21 ILE 31 1HG2 ILE 31 -8.940 -3.709 3.581
240 HG22 ILE 31 2HG2 ILE 31 -9.823 -4.218 2.143
241 HG23 ILE 31 3HG2 ILE 31 -8.290 -3.327 1.975
242 HD11 ILE 31 3HD1 ILE 31 -7.975 -0.186 4.719
243 HD12 ILE 31 1HD1 ILE 31 -9.134 -1.459 5.145
244 HD13 ILE 31 2HD1 ILE 31 -7.633 -1.866 4.274
245 H HIS 32 H HIS 32 -9.659 0.228 0.131
246 HA HIS 32 HA HIS 32 -11.551 2.219 1.108
247 HB2 HIS 32 1HB HIS 32 -9.091 2.362 -0.679
248 HB3 HIS 32 2HB HIS 32 -10.003 3.748 -0.143
249 HD1 HIS 32 1HD HIS 32 -10.268 3.623 2.836
250 HD2 HIS 32 2HD HIS 32 -6.969 2.047 0.771
251 HE1 HIS 32 1HE HIS 32 -8.374 3.538 4.525
252 H THR 33 H THR 33 -10.977 0.488 -1.968
253 HA THR 33 HA THR 33 -13.121 1.926 -3.376
254 HB THR 33 HB THR 33 -12.898 0.282 -5.116
255 HG1 THR 33 1HG THR 33 -11.806 -1.536 -4.878
256 HG21 THR 33 3HG2 THR 33 -10.580 0.466 -5.768
257 HG22 THR 33 1HG2 THR 33 -10.076 0.836 -4.115
258 HG23 THR 33 2HG2 THR 33 -11.072 2.004 -5.021
259 H ASN 34 H ASN 34 -13.110 -0.332 -0.904
260 HA ASN 34 HA ASN 34 -14.519 -1.721 0.077
261 HB2 ASN 34 1HB ASN 34 -15.831 0.425 0.100
262 HB3 ASN 34 2HB ASN 34 -16.753 -0.185 -1.275
263 HD21 ASN 34 1HD2 ASN 34 -18.613 0.117 0.220
264 HD22 ASN 34 2HD2 ASN 34 -18.948 -1.154 1.389
265 H GLU 35 H GLU 35 -13.351 -2.860 -2.109
266 HA GLU 35 HA GLU 35 -15.453 -4.801 -3.004
267 HB2 GLU 35 1HB GLU 35 -14.231 -5.248 -4.967
268 HB3 GLU 35 2HB GLU 35 -14.309 -3.492 -4.816
269 HG2 GLU 35 1HG GLU 35 -11.982 -3.607 -3.753
270 HG3 GLU 35 2HG GLU 35 -11.946 -5.311 -4.170
271 H LYS 36 H LYS 36 -13.058 -4.480 -0.791
272 HA LYS 36 HA LYS 36 -12.601 -7.423 -0.506
273 HB2 LYS 36 1HB LYS 36 -10.610 -6.282 -1.418
274 HB3 LYS 36 2HB LYS 36 -10.603 -5.177 -0.034
275 HG2 LYS 36 1HG LYS 36 -10.231 -7.101 1.492
276 HG3 LYS 36 2HG LYS 36 -10.245 -8.203 0.097
277 HD2 LYS 36 1HD LYS 36 -8.298 -6.966 -0.863
278 HD3 LYS 36 2HD LYS 36 -8.247 -5.929 0.566
279 HE2 LYS 36 1HE LYS 36 -7.908 -8.968 0.556
280 HE3 LYS 36 2HE LYS 36 -6.581 -7.805 0.575
281 HZ1 LYS 36 3HZ LYS 36 -7.064 -8.578 2.806
282 HZ2 LYS 36 1HZ LYS 36 -8.616 -8.092 2.720
283 HZ3 LYS 36 2HZ LYS 36 -7.408 -6.987 2.721
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 12.965 -10.366 8.307
2 H2 GLY 1 2H GLY 1 13.837 -9.929 9.623
3 H3 GLY 1 3H GLY 1 14.539 -9.945 8.143
4 HA2 GLY 1 1HA GLY 1 12.373 -8.135 9.003
5 HA3 GLY 1 2HA GLY 1 14.074 -7.680 8.801
6 H SER 2 H SER 2 13.721 -6.150 7.181
7 HA SER 2 HA SER 2 12.168 -6.562 4.810
8 HB2 SER 2 1HB SER 2 14.470 -4.648 5.339
9 HB3 SER 2 2HB SER 2 13.315 -4.536 3.998
10 HG SER 2 HG SER 2 12.820 -3.222 5.885
11 H SER 3 H SER 3 12.886 -6.699 2.616
12 HA SER 3 HA SER 3 14.889 -8.733 2.120
13 HB2 SER 3 1HB SER 3 12.748 -8.430 0.843
14 HB3 SER 3 2HB SER 3 13.455 -6.980 0.097
15 HG SER 3 HG SER 3 13.739 -8.928 -1.151
16 H GLY 4 H GLY 4 16.623 -8.506 0.525
17 HA2 GLY 4 1HA GLY 4 18.489 -6.366 1.189
18 HA3 GLY 4 2HA GLY 4 18.776 -7.741 0.123
19 H SER 5 H SER 5 16.741 -4.800 0.198
20 HA SER 5 HA SER 5 17.648 -3.967 -2.510
21 HB2 SER 5 1HB SER 5 15.547 -5.399 -2.657
22 HB3 SER 5 2HB SER 5 14.704 -4.114 -1.772
23 HG SER 5 HG SER 5 14.566 -3.936 -4.097
24 H SER 6 H SER 6 16.488 -1.762 -3.014
25 HA SER 6 HA SER 6 17.487 0.191 -1.201
26 HB2 SER 6 1HB SER 6 15.424 0.531 -3.413
27 HB3 SER 6 2HB SER 6 16.380 1.825 -2.670
28 HG SER 6 HG SER 6 18.265 0.858 -3.502
29 H GLY 7 H GLY 7 16.498 1.684 0.147
30 HA2 GLY 7 1HA GLY 7 14.318 0.701 1.747
31 HA3 GLY 7 2HA GLY 7 15.222 2.197 1.990
32 H LYS 8 H LYS 8 13.169 1.178 -0.750
33 HA LYS 8 HA LYS 8 11.668 3.686 -0.795
34 HB2 LYS 8 1HB LYS 8 11.470 1.037 -2.278
35 HB3 LYS 8 2HB LYS 8 10.253 2.291 -2.491
36 HG2 LYS 8 1HG LYS 8 13.226 2.720 -3.018
37 HG3 LYS 8 2HG LYS 8 12.032 2.269 -4.243
38 HD2 LYS 8 1HD LYS 8 10.734 4.350 -3.734
39 HD3 LYS 8 2HD LYS 8 12.013 4.846 -2.601
40 HE2 LYS 8 1HE LYS 8 13.672 4.755 -4.427
41 HE3 LYS 8 2HE LYS 8 12.402 4.264 -5.560
42 HZ1 LYS 8 3HZ LYS 8 12.473 6.854 -4.101
43 HZ2 LYS 8 1HZ LYS 8 11.299 6.400 -5.144
44 HZ3 LYS 8 2HZ LYS 8 12.817 6.655 -5.682
45 H ILE 9 H ILE 9 9.653 4.103 -0.247
46 HA ILE 9 HA ILE 9 7.925 2.021 0.941
47 HB ILE 9 HB ILE 9 7.141 3.525 2.711
48 HG12 ILE 9 1HG1 ILE 9 9.036 5.386 3.259
49 HG13 ILE 9 2HG1 ILE 9 9.125 5.460 1.516
50 HG21 ILE 9 1HG2 ILE 9 10.133 3.036 2.895
51 HG22 ILE 9 2HG2 ILE 9 8.975 3.187 4.229
52 HG23 ILE 9 3HG2 ILE 9 8.870 1.804 3.130
53 HD11 ILE 9 3HD1 ILE 9 6.663 5.950 1.432
54 HD12 ILE 9 1HD1 ILE 9 6.612 5.851 3.204
55 HD13 ILE 9 2HD1 ILE 9 7.556 7.125 2.412
56 H PHE 10 H PHE 10 5.705 2.479 0.923
57 HA PHE 10 HA PHE 10 4.742 4.467 -1.102
58 HB2 PHE 10 1HB PHE 10 4.072 1.503 -0.825
59 HB3 PHE 10 2HB PHE 10 3.192 2.627 -1.840
60 HD1 PHE 10 2HD PHE 10 6.445 0.879 -1.410
61 HD2 PHE 10 1HD PHE 10 4.038 3.387 -3.966
62 HE1 PHE 10 2HE PHE 10 8.008 0.458 -3.300
63 HE2 PHE 10 1HE PHE 10 5.590 2.949 -5.854
64 HZ PHE 10 HZ PHE 10 7.547 1.460 -5.536
65 H THR 11 H THR 11 2.976 5.623 -0.423
66 HA THR 11 HA THR 11 1.770 4.894 2.220
67 HB THR 11 HB THR 11 1.861 7.660 0.994
68 HG1 THR 11 1HG THR 11 3.677 8.025 2.228
69 HG21 THR 11 3HG2 THR 11 1.735 8.283 3.450
70 HG22 THR 11 1HG2 THR 11 1.472 6.564 3.818
71 HG23 THR 11 2HG2 THR 11 0.298 7.471 2.821
72 H CYS 12 H CYS 12 -0.356 4.685 2.480
73 HA CYS 12 HA CYS 12 -2.256 4.728 0.333
74 HB2 CYS 12 1HB CYS 12 -2.333 3.285 2.335
75 HB3 CYS 12 2HB CYS 12 -2.548 4.720 3.357
76 H GLU 13 H GLU 13 -3.408 6.343 -0.500
77 HA GLU 13 HA GLU 13 -3.139 9.048 0.595
78 HB2 GLU 13 1HB GLU 13 -4.320 9.791 -1.366
79 HB3 GLU 13 2HB GLU 13 -3.059 8.649 -1.829
80 HG2 GLU 13 1HG GLU 13 -4.783 6.855 -2.037
81 HG3 GLU 13 2HG GLU 13 -6.036 8.028 -1.613
82 H TYR 14 H TYR 14 -5.194 6.473 1.285
83 HA TYR 14 HA TYR 14 -7.578 8.150 1.883
84 HB2 TYR 14 1HB TYR 14 -7.205 5.151 1.753
85 HB3 TYR 14 2HB TYR 14 -8.715 5.980 2.050
86 HD1 TYR 14 1HD TYR 14 -9.744 7.404 0.232
87 HD2 TYR 14 2HD TYR 14 -6.359 4.818 -0.499
88 HE1 TYR 14 1HE TYR 14 -10.219 7.461 -2.216
89 HE2 TYR 14 2HE TYR 14 -6.840 4.883 -2.934
90 HH TYR 14 HH TYR 14 -8.211 5.678 -4.590
91 H CYS 15 H CYS 15 -5.232 6.031 3.541
92 HA CYS 15 HA CYS 15 -6.215 7.111 6.136
93 HB2 CYS 15 1HB CYS 15 -6.152 5.000 7.224
94 HB3 CYS 15 2HB CYS 15 -7.247 4.933 5.849
95 H ASN 16 H ASN 16 -3.592 6.945 4.189
96 HA ASN 16 HA ASN 16 -1.396 7.267 4.380
97 HB2 ASN 16 1HB ASN 16 -1.951 8.579 7.027
98 HB3 ASN 16 2HB ASN 16 -0.624 8.899 5.909
99 HD21 ASN 16 1HD2 ASN 16 -2.100 9.036 3.414
100 HD22 ASN 16 2HD2 ASN 16 -3.065 10.498 3.552
101 H LYS 17 H LYS 17 -2.273 4.681 5.356
102 HA LYS 17 HA LYS 17 -0.140 3.790 7.159
103 HB2 LYS 17 1HB LYS 17 -2.328 2.616 6.994
104 HB3 LYS 17 2HB LYS 17 -1.988 2.210 5.308
105 HG2 LYS 17 1HG LYS 17 -0.094 0.824 5.959
106 HG3 LYS 17 2HG LYS 17 -0.206 1.377 7.641
107 HD2 LYS 17 1HD LYS 17 -2.378 0.279 7.903
108 HD3 LYS 17 2HD LYS 17 -2.376 -0.207 6.195
109 HE2 LYS 17 1HE LYS 17 -0.327 -1.547 6.560
110 HE3 LYS 17 2HE LYS 17 -0.267 -1.025 8.247
111 HZ1 LYS 17 3HZ LYS 17 -1.288 -3.214 8.047
112 HZ2 LYS 17 1HZ LYS 17 -2.453 -2.650 7.055
113 HZ3 LYS 17 2HZ LYS 17 -2.393 -2.158 8.613
114 H VAL 18 H VAL 18 1.753 2.779 6.547
115 HA VAL 18 HA VAL 18 2.615 3.190 3.728
116 HB VAL 18 HB VAL 18 4.976 3.200 4.824
117 HG11 VAL 18 1HG1 VAL 18 3.112 5.580 5.000
118 HG12 VAL 18 2HG1 VAL 18 4.886 5.636 4.965
119 HG13 VAL 18 3HG1 VAL 18 4.004 5.028 3.557
120 HG21 VAL 18 3HG2 VAL 18 4.151 2.772 7.175
121 HG22 VAL 18 1HG2 VAL 18 5.117 4.249 6.986
122 HG23 VAL 18 2HG2 VAL 18 3.353 4.372 7.112
123 H PHE 19 H PHE 19 3.781 1.806 2.648
124 HA PHE 19 HA PHE 19 4.147 -0.980 3.667
125 HB2 PHE 19 1HB PHE 19 3.106 -0.111 0.944
126 HB3 PHE 19 2HB PHE 19 3.362 -1.760 1.485
127 HD1 PHE 19 2HD PHE 19 1.245 1.270 1.944
128 HD2 PHE 19 1HD PHE 19 1.741 -2.911 2.859
129 HE1 PHE 19 2HE PHE 19 -1.004 1.237 3.005
130 HE2 PHE 19 1HE PHE 19 -0.524 -2.954 3.882
131 HZ PHE 19 HZ PHE 19 -1.874 -0.870 3.988
132 H LYS 20 H LYS 20 5.669 -2.243 2.398
133 HA LYS 20 HA LYS 20 8.092 -0.675 1.800
134 HB2 LYS 20 1HB LYS 20 7.613 -3.676 1.989
135 HB3 LYS 20 2HB LYS 20 9.193 -2.869 1.896
136 HG2 LYS 20 1HG LYS 20 8.552 -1.613 4.027
137 HG3 LYS 20 2HG LYS 20 7.134 -2.673 4.138
138 HD2 LYS 20 1HD LYS 20 8.677 -4.662 4.145
139 HD3 LYS 20 2HD LYS 20 10.062 -3.542 4.133
140 HE2 LYS 20 1HE LYS 20 9.243 -2.528 6.254
141 HE3 LYS 20 2HE LYS 20 7.885 -3.664 6.269
142 HZ1 LYS 20 3HZ LYS 20 10.757 -4.434 6.398
143 HZ2 LYS 20 1HZ LYS 20 9.495 -5.483 6.438
144 HZ3 LYS 20 2HZ LYS 20 9.727 -4.432 7.667
145 H PHE 21 H PHE 21 5.723 -2.363 -0.080
146 HA PHE 21 HA PHE 21 7.310 -1.990 -2.571
147 HB2 PHE 21 1HB PHE 21 5.606 -4.419 -1.930
148 HB3 PHE 21 2HB PHE 21 6.637 -4.170 -3.326
149 HD1 PHE 21 2HD PHE 21 9.205 -3.978 -2.926
150 HD2 PHE 21 1HD PHE 21 6.440 -5.468 0.028
151 HE1 PHE 21 2HE PHE 21 11.088 -5.030 -1.692
152 HE2 PHE 21 1HE PHE 21 8.326 -6.503 1.272
153 HZ PHE 21 HZ PHE 21 10.651 -6.290 0.410
154 H LYS 22 H LYS 22 6.028 -1.757 -4.496
155 HA LYS 22 HA LYS 22 3.802 -0.043 -4.121
156 HB2 LYS 22 1HB LYS 22 5.373 -0.080 -6.104
157 HB3 LYS 22 2HB LYS 22 4.541 -1.529 -6.678
158 HG2 LYS 22 1HG LYS 22 2.399 -0.252 -6.665
159 HG3 LYS 22 2HG LYS 22 3.245 1.187 -6.123
160 HD2 LYS 22 1HD LYS 22 2.863 1.384 -8.490
161 HD3 LYS 22 2HD LYS 22 4.601 1.179 -8.220
162 HE2 LYS 22 1HE LYS 22 4.413 -1.226 -8.822
163 HE3 LYS 22 2HE LYS 22 2.666 -1.046 -9.026
164 HZ1 LYS 22 3HZ LYS 22 3.108 0.518 -10.845
165 HZ2 LYS 22 1HZ LYS 22 3.827 -0.913 -11.154
166 HZ3 LYS 22 2HZ LYS 22 4.723 0.354 -10.654
167 H HIS 23 H HIS 23 3.773 -3.396 -5.374
168 HA HIS 23 HA HIS 23 0.989 -3.621 -5.670
169 HB2 HIS 23 1HB HIS 23 1.337 -5.983 -5.856
170 HB3 HIS 23 2HB HIS 23 2.687 -5.164 -6.629
171 HD1 HIS 23 1HD HIS 23 1.921 -7.597 -3.827
172 HD2 HIS 23 2HD HIS 23 5.105 -5.225 -5.217
173 HE1 HIS 23 1HE HIS 23 4.015 -8.447 -2.648
174 H SER 24 H SER 24 2.876 -3.860 -2.746
175 HA SER 24 HA SER 24 0.948 -5.205 -1.059
176 HB2 SER 24 1HB SER 24 3.174 -3.250 -0.366
177 HB3 SER 24 2HB SER 24 2.237 -4.167 0.800
178 HG SER 24 HG SER 24 3.052 -6.091 -0.118
179 H LEU 25 H LEU 25 1.643 -1.723 -1.625
180 HA LEU 25 HA LEU 25 -0.579 -0.745 -0.071
181 HB2 LEU 25 1HB LEU 25 1.260 0.738 -0.608
182 HB3 LEU 25 2HB LEU 25 1.079 0.435 -2.336
183 HG LEU 25 HG LEU 25 -1.135 1.556 -2.331
184 HD11 LEU 25 1HD1 LEU 25 -1.911 2.810 -0.429
185 HD12 LEU 25 2HD1 LEU 25 -0.507 2.325 0.550
186 HD13 LEU 25 3HD1 LEU 25 -1.743 1.140 0.074
187 HD21 LEU 25 3HD2 LEU 25 -0.326 3.821 -2.064
188 HD22 LEU 25 1HD2 LEU 25 0.909 2.811 -2.836
189 HD23 LEU 25 2HD2 LEU 25 1.059 3.246 -1.115
190 H GLN 26 H GLN 26 -0.175 -1.582 -3.524
191 HA GLN 26 HA GLN 26 -2.680 -0.553 -4.431
192 HB2 GLN 26 1HB GLN 26 -1.029 -2.848 -5.539
193 HB3 GLN 26 2HB GLN 26 -2.457 -2.193 -6.329
194 HG2 GLN 26 1HG GLN 26 -1.403 0.030 -6.504
195 HG3 GLN 26 2HG GLN 26 0.047 -0.569 -5.725
196 HE21 GLN 26 1HE2 GLN 26 -1.820 -0.568 -8.735
197 HE22 GLN 26 2HE2 GLN 26 -0.609 -1.433 -9.671
198 H ALA 27 H ALA 27 -1.929 -3.753 -3.103
199 HA ALA 27 HA ALA 27 -4.581 -4.873 -3.355
200 HB1 ALA 27 1HB ALA 27 -2.520 -6.196 -3.074
201 HB2 ALA 27 2HB ALA 27 -2.263 -5.456 -1.474
202 HB3 ALA 27 3HB ALA 27 -3.666 -6.519 -1.746
203 H HIS 28 H HIS 28 -2.964 -2.957 -0.778
204 HA HIS 28 HA HIS 28 -5.080 -3.200 1.164
205 HB2 HIS 28 1HB HIS 28 -2.937 -2.559 1.918
206 HB3 HIS 28 2HB HIS 28 -2.782 -1.268 0.742
207 HD1 HIS 28 1HD HIS 28 -4.706 -2.021 3.998
208 HD2 HIS 28 2HD HIS 28 -3.745 1.104 1.356
209 HE1 HIS 28 1HE HIS 28 -5.431 0.116 5.162
210 H LEU 29 H LEU 29 -4.659 -1.002 -1.626
211 HA LEU 29 HA LEU 29 -6.686 0.872 -1.007
212 HB2 LEU 29 1HB LEU 29 -6.093 -0.214 -3.781
213 HB3 LEU 29 2HB LEU 29 -6.836 1.328 -3.380
214 HG LEU 29 HG LEU 29 -3.977 0.494 -2.863
215 HD11 LEU 29 1HD1 LEU 29 -3.418 2.236 -4.456
216 HD12 LEU 29 2HD1 LEU 29 -5.144 2.634 -4.654
217 HD13 LEU 29 3HD1 LEU 29 -4.517 1.044 -5.175
218 HD21 LEU 29 3HD2 LEU 29 -4.620 1.959 -1.009
219 HD22 LEU 29 1HD2 LEU 29 -5.437 3.076 -2.120
220 HD23 LEU 29 2HD2 LEU 29 -3.665 2.916 -2.145
221 H ARG 30 H ARG 30 -7.099 -2.443 -2.009
222 HA ARG 30 HA ARG 30 -9.739 -2.312 -3.079
223 HB2 ARG 30 1HB ARG 30 -8.404 -4.627 -1.624
224 HB3 ARG 30 2HB ARG 30 -9.796 -4.722 -2.707
225 HG2 ARG 30 1HG ARG 30 -8.445 -4.021 -4.623
226 HG3 ARG 30 2HG ARG 30 -7.029 -3.777 -3.592
227 HD2 ARG 30 1HD ARG 30 -7.063 -6.170 -2.966
228 HD3 ARG 30 2HD ARG 30 -8.434 -6.431 -4.066
229 HE ARG 30 HE ARG 30 -6.520 -5.237 -5.668
230 HH11 ARG 30 2HH1 ARG 30 -6.518 -8.167 -3.746
231 HH12 ARG 30 1HH1 ARG 30 -5.327 -8.938 -4.758
232 HH21 ARG 30 2HH2 ARG 30 -5.014 -6.284 -6.923
233 HH22 ARG 30 1HH2 ARG 30 -4.507 -7.895 -6.511
234 H ILE 31 H ILE 31 -8.813 -1.934 0.225
235 HA ILE 31 HA ILE 31 -11.523 -2.519 1.240
236 HB ILE 31 HB ILE 31 -10.790 -2.083 3.356
237 HG12 ILE 31 1HG1 ILE 31 -8.418 -0.532 2.289
238 HG13 ILE 31 2HG1 ILE 31 -9.794 0.082 3.190
239 HG21 ILE 31 1HG2 ILE 31 -8.284 -3.241 2.070
240 HG22 ILE 31 2HG2 ILE 31 -8.942 -3.583 3.681
241 HG23 ILE 31 3HG2 ILE 31 -9.812 -4.130 2.248
242 HD11 ILE 31 3HD1 ILE 31 -9.095 -1.285 5.165
243 HD12 ILE 31 1HD1 ILE 31 -7.606 -1.711 4.281
244 HD13 ILE 31 2HD1 ILE 31 -7.947 -0.020 4.686
245 H HIS 32 H HIS 32 -9.804 0.194 -0.028
246 HA HIS 32 HA HIS 32 -11.637 2.243 1.037
247 HB2 HIS 32 1HB HIS 32 -9.065 2.338 -0.593
248 HB3 HIS 32 2HB HIS 32 -9.947 3.742 -0.070
249 HD1 HIS 32 1HD HIS 32 -10.330 3.603 2.888
250 HD2 HIS 32 2HD HIS 32 -7.019 1.940 0.912
251 HE1 HIS 32 1HE HIS 32 -8.467 3.521 4.613
252 H THR 33 H THR 33 -11.066 0.497 -1.992
253 HA THR 33 HA THR 33 -12.290 2.372 -3.776
254 HB THR 33 HB THR 33 -12.608 0.377 -5.280
255 HG1 THR 33 1HG THR 33 -11.739 -1.548 -4.649
256 HG21 THR 33 3HG2 THR 33 -9.822 0.736 -4.105
257 HG22 THR 33 1HG2 THR 33 -10.547 1.699 -5.406
258 HG23 THR 33 2HG2 THR 33 -10.207 -0.024 -5.659
259 H ASN 34 H ASN 34 -14.306 2.485 -4.712
260 HA ASN 34 HA ASN 34 -16.576 1.435 -3.124
261 HB2 ASN 34 1HB ASN 34 -16.386 3.870 -3.636
262 HB3 ASN 34 2HB ASN 34 -16.506 3.500 -5.358
263 HD21 ASN 34 1HD2 ASN 34 -18.383 5.058 -5.088
264 HD22 ASN 34 2HD2 ASN 34 -19.924 4.360 -4.606
265 H GLU 35 H GLU 35 -15.805 -0.746 -3.979
266 HA GLU 35 HA GLU 35 -17.277 -1.482 -6.462
267 HB2 GLU 35 1HB GLU 35 -14.882 -1.012 -7.000
268 HB3 GLU 35 2HB GLU 35 -14.396 -2.273 -5.861
269 HG2 GLU 35 1HG GLU 35 -15.528 -3.979 -7.218
270 HG3 GLU 35 2HG GLU 35 -16.196 -2.736 -8.280
271 H LYS 36 H LYS 36 -18.029 -3.587 -6.550
272 HA LYS 36 HA LYS 36 -17.597 -5.473 -4.333
273 HB2 LYS 36 1HB LYS 36 -19.955 -5.758 -3.869
274 HB3 LYS 36 2HB LYS 36 -19.453 -4.106 -3.518
275 HG2 LYS 36 1HG LYS 36 -20.438 -3.350 -5.687
276 HG3 LYS 36 2HG LYS 36 -20.984 -4.995 -6.012
277 HD2 LYS 36 1HD LYS 36 -21.831 -3.242 -3.667
278 HD3 LYS 36 2HD LYS 36 -22.782 -3.527 -5.120
279 HE2 LYS 36 1HE LYS 36 -21.975 -5.664 -3.090
280 HE3 LYS 36 2HE LYS 36 -23.537 -4.852 -3.152
281 HZ1 LYS 36 3HZ LYS 36 -22.446 -6.580 -5.307
282 HZ2 LYS 36 1HZ LYS 36 -23.880 -5.795 -5.374
283 HZ3 LYS 36 2HZ LYS 36 -23.646 -6.979 -4.279
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 21.300 16.110 -7.058
2 H2 GLY 1 2H GLY 1 22.329 15.971 -5.791
3 H3 GLY 1 3H GLY 1 21.032 16.963 -5.684
4 HA2 GLY 1 1HA GLY 1 19.514 15.095 -5.821
5 HA3 GLY 1 2HA GLY 1 20.925 14.026 -5.917
6 H SER 2 H SER 2 20.108 12.946 -4.016
7 HA SER 2 HA SER 2 19.930 14.333 -1.454
8 HB2 SER 2 1HB SER 2 19.533 12.065 -0.563
9 HB3 SER 2 2HB SER 2 18.460 12.473 -1.910
10 HG SER 2 HG SER 2 19.381 10.350 -2.073
11 H SER 3 H SER 3 21.158 13.640 0.459
12 HA SER 3 HA SER 3 24.034 13.708 -0.004
13 HB2 SER 3 1HB SER 3 24.127 13.835 2.475
14 HB3 SER 3 2HB SER 3 23.080 15.059 1.740
15 HG SER 3 HG SER 3 22.095 14.034 3.558
16 H GLY 4 H GLY 4 21.791 11.122 0.415
17 HA2 GLY 4 1HA GLY 4 23.710 9.071 0.071
18 HA3 GLY 4 2HA GLY 4 23.348 9.180 1.795
19 H SER 5 H SER 5 22.818 6.863 0.521
20 HA SER 5 HA SER 5 20.197 6.602 -0.605
21 HB2 SER 5 1HB SER 5 21.961 4.488 0.684
22 HB3 SER 5 2HB SER 5 20.569 4.191 -0.374
23 HG SER 5 HG SER 5 22.570 4.121 -1.515
24 H SER 6 H SER 6 18.317 5.652 0.202
25 HA SER 6 HA SER 6 18.027 4.989 3.048
26 HB2 SER 6 1HB SER 6 17.638 7.488 2.858
27 HB3 SER 6 2HB SER 6 16.246 7.128 1.819
28 HG SER 6 HG SER 6 15.695 7.371 4.062
29 H GLY 7 H GLY 7 15.906 3.992 3.495
30 HA2 GLY 7 1HA GLY 7 15.181 2.050 1.474
31 HA3 GLY 7 2HA GLY 7 14.426 2.252 3.052
32 H LYS 8 H LYS 8 13.383 1.870 0.211
33 HA LYS 8 HA LYS 8 11.763 4.301 -0.234
34 HB2 LYS 8 1HB LYS 8 13.056 2.912 -2.010
35 HB3 LYS 8 2HB LYS 8 11.698 1.797 -1.955
36 HG2 LYS 8 1HG LYS 8 11.357 4.789 -2.435
37 HG3 LYS 8 2HG LYS 8 11.797 3.696 -3.743
38 HD2 LYS 8 1HD LYS 8 9.728 2.478 -3.593
39 HD3 LYS 8 2HD LYS 8 9.277 3.298 -2.099
40 HE2 LYS 8 1HE LYS 8 9.497 5.505 -3.469
41 HE3 LYS 8 2HE LYS 8 9.439 4.459 -4.894
42 HZ1 LYS 8 3HZ LYS 8 7.285 3.614 -4.037
43 HZ2 LYS 8 1HZ LYS 8 7.223 5.237 -4.266
44 HZ3 LYS 8 2HZ LYS 8 7.379 4.628 -2.752
45 H ILE 9 H ILE 9 9.630 4.487 0.101
46 HA ILE 9 HA ILE 9 8.011 2.149 0.973
47 HB ILE 9 HB ILE 9 6.854 3.645 2.612
48 HG12 ILE 9 1HG1 ILE 9 9.321 5.427 2.468
49 HG13 ILE 9 2HG1 ILE 9 7.848 5.802 1.570
50 HG21 ILE 9 1HG2 ILE 9 8.483 1.891 3.257
51 HG22 ILE 9 2HG2 ILE 9 9.789 3.094 3.208
52 HG23 ILE 9 3HG2 ILE 9 8.471 3.248 4.385
53 HD11 ILE 9 3HD1 ILE 9 7.913 7.017 3.688
54 HD12 ILE 9 1HD1 ILE 9 6.543 5.897 3.621
55 HD13 ILE 9 2HD1 ILE 9 7.983 5.494 4.594
56 H PHE 10 H PHE 10 5.741 2.459 0.849
57 HA PHE 10 HA PHE 10 4.743 4.431 -1.177
58 HB2 PHE 10 1HB PHE 10 4.071 1.471 -0.872
59 HB3 PHE 10 2HB PHE 10 3.181 2.594 -1.879
60 HD1 PHE 10 2HD PHE 10 6.490 0.915 -1.468
61 HD2 PHE 10 1HD PHE 10 3.907 3.189 -4.071
62 HE1 PHE 10 2HE PHE 10 7.975 0.402 -3.393
63 HE2 PHE 10 1HE PHE 10 5.382 2.658 -5.995
64 HZ PHE 10 HZ PHE 10 7.397 1.242 -5.668
65 H THR 11 H THR 11 2.959 5.570 -0.478
66 HA THR 11 HA THR 11 1.795 4.836 2.187
67 HB THR 11 HB THR 11 1.944 7.610 0.986
68 HG1 THR 11 1HG THR 11 3.752 7.924 2.241
69 HG21 THR 11 3HG2 THR 11 1.512 6.514 3.804
70 HG22 THR 11 1HG2 THR 11 0.351 7.424 2.801
71 HG23 THR 11 2HG2 THR 11 1.792 8.229 3.434
72 H CYS 12 H CYS 12 -0.323 4.607 2.423
73 HA CYS 12 HA CYS 12 -2.209 4.672 0.264
74 HB2 CYS 12 1HB CYS 12 -2.287 3.162 2.214
75 HB3 CYS 12 2HB CYS 12 -2.504 4.557 3.287
76 H GLU 13 H GLU 13 -3.244 6.344 -0.590
77 HA GLU 13 HA GLU 13 -3.050 9.005 0.563
78 HB2 GLU 13 1HB GLU 13 -4.212 9.760 -1.407
79 HB3 GLU 13 2HB GLU 13 -2.956 8.609 -1.862
80 HG2 GLU 13 1HG GLU 13 -4.691 6.826 -2.082
81 HG3 GLU 13 2HG GLU 13 -5.939 8.006 -1.663
82 H TYR 14 H TYR 14 -5.111 6.465 1.282
83 HA TYR 14 HA TYR 14 -7.493 8.156 1.856
84 HB2 TYR 14 1HB TYR 14 -7.112 5.161 1.784
85 HB3 TYR 14 2HB TYR 14 -8.630 5.988 2.068
86 HD1 TYR 14 1HD TYR 14 -9.698 7.337 0.234
87 HD2 TYR 14 2HD TYR 14 -6.254 4.823 -0.474
88 HE1 TYR 14 1HE TYR 14 -10.179 7.353 -2.213
89 HE2 TYR 14 2HE TYR 14 -6.737 4.854 -2.910
90 HH TYR 14 HH TYR 14 -8.129 5.598 -4.572
91 H CYS 15 H CYS 15 -5.144 6.052 3.530
92 HA CYS 15 HA CYS 15 -6.143 7.114 6.124
93 HB2 CYS 15 1HB CYS 15 -6.074 4.994 7.187
94 HB3 CYS 15 2HB CYS 15 -7.165 4.940 5.807
95 H ASN 16 H ASN 16 -3.489 7.008 4.207
96 HA ASN 16 HA ASN 16 -1.302 7.379 4.446
97 HB2 ASN 16 1HB ASN 16 -2.067 8.536 7.136
98 HB3 ASN 16 2HB ASN 16 -0.530 8.774 6.316
99 HD21 ASN 16 1HD2 ASN 16 -3.951 9.641 6.274
100 HD22 ASN 16 2HD2 ASN 16 -3.766 10.890 5.051
101 H LYS 17 H LYS 17 -2.259 4.702 5.327
102 HA LYS 17 HA LYS 17 -0.150 3.712 7.098
103 HB2 LYS 17 1HB LYS 17 -2.373 2.610 6.904
104 HB3 LYS 17 2HB LYS 17 -2.022 2.202 5.219
105 HG2 LYS 17 1HG LYS 17 -0.164 0.772 5.892
106 HG3 LYS 17 2HG LYS 17 -0.292 1.320 7.574
107 HD2 LYS 17 1HD LYS 17 -2.497 0.270 7.790
108 HD3 LYS 17 2HD LYS 17 -2.461 -0.225 6.084
109 HE2 LYS 17 1HE LYS 17 -0.447 -1.597 6.506
110 HE3 LYS 17 2HE LYS 17 -0.414 -1.063 8.190
111 HZ1 LYS 17 3HZ LYS 17 -2.599 -2.665 6.965
112 HZ2 LYS 17 1HZ LYS 17 -2.564 -2.158 8.520
113 HZ3 LYS 17 2HZ LYS 17 -1.464 -3.236 7.988
114 H VAL 18 H VAL 18 1.706 2.650 6.486
115 HA VAL 18 HA VAL 18 2.629 3.129 3.696
116 HB VAL 18 HB VAL 18 4.966 3.133 4.853
117 HG11 VAL 18 1HG1 VAL 18 4.019 4.992 3.620
118 HG12 VAL 18 2HG1 VAL 18 3.038 5.467 5.033
119 HG13 VAL 18 3HG1 VAL 18 4.804 5.579 5.096
120 HG21 VAL 18 3HG2 VAL 18 3.272 4.242 7.119
121 HG22 VAL 18 1HG2 VAL 18 4.074 2.642 7.172
122 HG23 VAL 18 2HG2 VAL 18 5.040 4.126 7.040
123 H PHE 19 H PHE 19 3.824 1.775 2.612
124 HA PHE 19 HA PHE 19 4.207 -1.020 3.585
125 HB2 PHE 19 1HB PHE 19 3.123 -0.152 0.875
126 HB3 PHE 19 2HB PHE 19 3.413 -1.800 1.422
127 HD1 PHE 19 2HD PHE 19 1.273 1.217 1.920
128 HD2 PHE 19 1HD PHE 19 1.791 -2.977 2.765
129 HE1 PHE 19 2HE PHE 19 -0.977 1.154 2.977
130 HE2 PHE 19 1HE PHE 19 -0.472 -3.049 3.787
131 HZ PHE 19 HZ PHE 19 -1.835 -0.974 3.924
132 H LYS 20 H LYS 20 5.684 -2.265 2.249
133 HA LYS 20 HA LYS 20 8.113 -0.707 1.656
134 HB2 LYS 20 1HB LYS 20 7.576 -3.679 1.951
135 HB3 LYS 20 2HB LYS 20 9.175 -2.942 1.685
136 HG2 LYS 20 1HG LYS 20 8.801 -1.523 3.749
137 HG3 LYS 20 2HG LYS 20 7.288 -2.395 4.026
138 HD2 LYS 20 1HD LYS 20 8.991 -3.285 5.448
139 HD3 LYS 20 2HD LYS 20 8.539 -4.510 4.245
140 HE2 LYS 20 1HE LYS 20 10.574 -3.967 2.930
141 HE3 LYS 20 2HE LYS 20 10.994 -2.695 4.084
142 HZ1 LYS 20 3HZ LYS 20 11.222 -4.416 5.795
143 HZ2 LYS 20 1HZ LYS 20 12.210 -4.748 4.541
144 HZ3 LYS 20 2HZ LYS 20 10.828 -5.593 4.731
145 H PHE 21 H PHE 21 5.716 -2.369 -0.211
146 HA PHE 21 HA PHE 21 7.248 -1.968 -2.727
147 HB2 PHE 21 1HB PHE 21 5.690 -4.470 -1.974
148 HB3 PHE 21 2HB PHE 21 6.542 -4.176 -3.479
149 HD1 PHE 21 2HD PHE 21 9.119 -3.829 -3.379
150 HD2 PHE 21 1HD PHE 21 6.809 -5.496 -0.140
151 HE1 PHE 21 2HE PHE 21 11.187 -4.798 -2.400
152 HE2 PHE 21 1HE PHE 21 8.879 -6.460 0.838
153 HZ PHE 21 HZ PHE 21 11.071 -6.110 -0.288
154 H LYS 22 H LYS 22 5.926 -1.786 -4.617
155 HA LYS 22 HA LYS 22 3.677 -0.125 -4.236
156 HB2 LYS 22 1HB LYS 22 5.212 -0.198 -6.252
157 HB3 LYS 22 2HB LYS 22 4.379 -1.665 -6.773
158 HG2 LYS 22 1HG LYS 22 2.225 -0.398 -6.745
159 HG3 LYS 22 2HG LYS 22 3.086 1.059 -6.261
160 HD2 LYS 22 1HD LYS 22 2.645 1.184 -8.625
161 HD3 LYS 22 2HD LYS 22 4.388 1.002 -8.384
162 HE2 LYS 22 1HE LYS 22 4.211 -1.420 -8.914
163 HE3 LYS 22 2HE LYS 22 2.460 -1.261 -9.092
164 HZ1 LYS 22 3HZ LYS 22 3.582 -1.176 -11.243
165 HZ2 LYS 22 1HZ LYS 22 4.476 0.111 -10.794
166 HZ3 LYS 22 2HZ LYS 22 2.857 0.258 -10.961
167 H HIS 23 H HIS 23 3.657 -3.495 -5.442
168 HA HIS 23 HA HIS 23 0.876 -3.747 -5.709
169 HB2 HIS 23 1HB HIS 23 1.247 -6.115 -5.859
170 HB3 HIS 23 2HB HIS 23 2.576 -5.290 -6.662
171 HD1 HIS 23 1HD HIS 23 1.873 -7.646 -3.762
172 HD2 HIS 23 2HD HIS 23 5.016 -5.312 -5.303
173 HE1 HIS 23 1HE HIS 23 3.992 -8.430 -2.584
174 H SER 24 H SER 24 2.797 -3.972 -2.806
175 HA SER 24 HA SER 24 0.884 -5.315 -1.098
176 HB2 SER 24 1HB SER 24 3.181 -3.429 -0.451
177 HB3 SER 24 2HB SER 24 2.210 -4.276 0.747
178 HG SER 24 HG SER 24 4.037 -5.518 0.286
179 H LEU 25 H LEU 25 1.580 -1.841 -1.678
180 HA LEU 25 HA LEU 25 -0.604 -0.855 -0.073
181 HB2 LEU 25 1HB LEU 25 1.231 0.621 -0.633
182 HB3 LEU 25 2HB LEU 25 1.023 0.325 -2.359
183 HG LEU 25 HG LEU 25 -1.180 1.461 -2.320
184 HD11 LEU 25 1HD1 LEU 25 -1.758 1.030 0.096
185 HD12 LEU 25 2HD1 LEU 25 -1.938 2.699 -0.405
186 HD13 LEU 25 3HD1 LEU 25 -0.519 2.219 0.555
187 HD21 LEU 25 3HD2 LEU 25 0.865 2.707 -2.835
188 HD22 LEU 25 1HD2 LEU 25 1.039 3.128 -1.111
189 HD23 LEU 25 2HD2 LEU 25 -0.353 3.722 -2.041
190 H GLN 26 H GLN 26 -0.259 -1.680 -3.534
191 HA GLN 26 HA GLN 26 -2.761 -0.645 -4.421
192 HB2 GLN 26 1HB GLN 26 -1.136 -2.965 -5.513
193 HB3 GLN 26 2HB GLN 26 -2.584 -2.339 -6.290
194 HG2 GLN 26 1HG GLN 26 -1.557 -0.116 -6.533
195 HG3 GLN 26 2HG GLN 26 -0.082 -0.684 -5.773
196 HE21 GLN 26 1HE2 GLN 26 -2.000 -0.730 -8.744
197 HE22 GLN 26 2HE2 GLN 26 -0.812 -1.620 -9.687
198 H ALA 27 H ALA 27 -2.031 -3.852 -3.089
199 HA ALA 27 HA ALA 27 -4.700 -4.933 -3.308
200 HB1 ALA 27 1HB ALA 27 -2.647 -6.282 -3.049
201 HB2 ALA 27 2HB ALA 27 -2.366 -5.543 -1.452
202 HB3 ALA 27 3HB ALA 27 -3.781 -6.595 -1.706
203 H HIS 28 H HIS 28 -3.028 -3.048 -0.747
204 HA HIS 28 HA HIS 28 -5.136 -3.251 1.212
205 HB2 HIS 28 1HB HIS 28 -2.979 -2.643 1.955
206 HB3 HIS 28 2HB HIS 28 -2.805 -1.362 0.771
207 HD1 HIS 28 1HD HIS 28 -4.698 -2.060 4.054
208 HD2 HIS 28 2HD HIS 28 -3.773 1.025 1.353
209 HE1 HIS 28 1HE HIS 28 -5.404 0.094 5.198
210 H LEU 29 H LEU 29 -4.688 -1.078 -1.596
211 HA LEU 29 HA LEU 29 -6.663 0.842 -0.963
212 HB2 LEU 29 1HB LEU 29 -6.120 -0.257 -3.742
213 HB3 LEU 29 2HB LEU 29 -6.842 1.294 -3.336
214 HG LEU 29 HG LEU 29 -3.986 0.434 -2.839
215 HD11 LEU 29 1HD1 LEU 29 -5.151 2.578 -4.631
216 HD12 LEU 29 2HD1 LEU 29 -4.544 0.980 -5.152
217 HD13 LEU 29 3HD1 LEU 29 -3.427 2.164 -4.448
218 HD21 LEU 29 3HD2 LEU 29 -4.592 1.910 -0.987
219 HD22 LEU 29 1HD2 LEU 29 -5.431 3.020 -2.086
220 HD23 LEU 29 2HD2 LEU 29 -3.660 2.867 -2.142
221 H ARG 30 H ARG 30 -7.186 -2.468 -1.993
222 HA ARG 30 HA ARG 30 -9.818 -2.229 -3.032
223 HB2 ARG 30 1HB ARG 30 -8.636 -4.605 -1.545
224 HB3 ARG 30 2HB ARG 30 -10.027 -4.609 -2.643
225 HG2 ARG 30 1HG ARG 30 -8.555 -3.914 -4.525
226 HG3 ARG 30 2HG ARG 30 -7.154 -3.964 -3.455
227 HD2 ARG 30 1HD ARG 30 -7.538 -6.355 -3.008
228 HD3 ARG 30 2HD ARG 30 -8.965 -6.348 -4.042
229 HE ARG 30 HE ARG 30 -6.159 -6.419 -4.864
230 HH11 ARG 30 2HH1 ARG 30 -9.380 -5.690 -6.047
231 HH12 ARG 30 1HH1 ARG 30 -8.911 -5.911 -7.710
232 HH21 ARG 30 2HH2 ARG 30 -5.636 -6.673 -7.003
233 HH22 ARG 30 1HH2 ARG 30 -6.850 -6.453 -8.227
234 H ILE 31 H ILE 31 -8.854 -1.963 0.298
235 HA ILE 31 HA ILE 31 -11.554 -2.422 1.344
236 HB ILE 31 HB ILE 31 -10.779 -1.982 3.441
237 HG12 ILE 31 1HG1 ILE 31 -8.405 -0.474 2.320
238 HG13 ILE 31 2HG1 ILE 31 -9.756 0.167 3.238
239 HG21 ILE 31 1HG2 ILE 31 -8.947 -3.508 3.743
240 HG22 ILE 31 2HG2 ILE 31 -9.852 -4.052 2.330
241 HG23 ILE 31 3HG2 ILE 31 -8.313 -3.188 2.117
242 HD11 ILE 31 3HD1 ILE 31 -7.579 -1.650 4.310
243 HD12 ILE 31 1HD1 ILE 31 -7.891 0.049 4.710
244 HD13 ILE 31 2HD1 ILE 31 -9.048 -1.198 5.213
245 H HIS 32 H HIS 32 -9.831 0.240 0.003
246 HA HIS 32 HA HIS 32 -11.647 2.326 1.027
247 HB2 HIS 32 1HB HIS 32 -9.055 2.388 -0.577
248 HB3 HIS 32 2HB HIS 32 -9.922 3.796 -0.045
249 HD1 HIS 32 1HD HIS 32 -10.298 3.656 2.912
250 HD2 HIS 32 2HD HIS 32 -7.024 1.939 0.921
251 HE1 HIS 32 1HE HIS 32 -8.431 3.533 4.632
252 H THR 33 H THR 33 -10.950 0.584 -2.005
253 HA THR 33 HA THR 33 -12.189 2.463 -3.795
254 HB THR 33 HB THR 33 -12.329 0.523 -5.370
255 HG1 THR 33 1HG THR 33 -11.557 -1.424 -4.738
256 HG21 THR 33 3HG2 THR 33 -9.911 0.114 -5.594
257 HG22 THR 33 1HG2 THR 33 -9.628 0.851 -4.009
258 HG23 THR 33 2HG2 THR 33 -10.268 1.835 -5.339
259 H ASN 34 H ASN 34 -13.577 -0.130 -1.847
260 HA ASN 34 HA ASN 34 -16.090 -0.173 -3.314
261 HB2 ASN 34 1HB ASN 34 -16.769 -1.884 -1.778
262 HB3 ASN 34 2HB ASN 34 -15.118 -2.204 -2.296
263 HD21 ASN 34 1HD2 ASN 34 -13.412 -2.168 -0.673
264 HD22 ASN 34 2HD2 ASN 34 -13.814 -1.843 1.009
265 H GLU 35 H GLU 35 -18.178 0.314 -2.484
266 HA GLU 35 HA GLU 35 -18.153 2.966 -1.232
267 HB2 GLU 35 1HB GLU 35 -20.341 1.436 -2.678
268 HB3 GLU 35 2HB GLU 35 -20.468 3.099 -2.079
269 HG2 GLU 35 1HG GLU 35 -18.544 3.760 -3.516
270 HG3 GLU 35 2HG GLU 35 -18.489 2.126 -4.181
271 H LYS 36 H LYS 36 -17.519 1.737 0.840
272 HA LYS 36 HA LYS 36 -19.963 1.482 2.556
273 HB2 LYS 36 1HB LYS 36 -17.414 -0.168 2.757
274 HB3 LYS 36 2HB LYS 36 -18.718 -0.145 3.948
275 HG2 LYS 36 1HG LYS 36 -20.317 -0.971 2.222
276 HG3 LYS 36 2HG LYS 36 -18.988 -1.063 1.049
277 HD2 LYS 36 1HD LYS 36 -17.801 -2.672 2.527
278 HD3 LYS 36 2HD LYS 36 -19.155 -2.603 3.676
279 HE2 LYS 36 1HE LYS 36 -20.694 -3.411 1.896
280 HE3 LYS 36 2HE LYS 36 -19.340 -3.487 0.759
281 HZ1 LYS 36 3HZ LYS 36 -18.307 -5.157 2.207
282 HZ2 LYS 36 1HZ LYS 36 -19.788 -5.660 1.745
283 HZ3 LYS 36 2HZ LYS 36 -19.561 -5.088 3.256
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 16.335 10.589 18.382
2 H2 GLY 1 2H GLY 1 17.790 9.994 17.923
3 H3 GLY 1 3H GLY 1 17.042 9.393 19.252
4 HA2 GLY 1 1HA GLY 1 16.834 7.846 17.422
5 HA3 GLY 1 2HA GLY 1 15.259 8.479 17.933
6 H SER 2 H SER 2 15.789 7.363 15.374
7 HA SER 2 HA SER 2 16.299 9.315 13.353
8 HB2 SER 2 1HB SER 2 14.746 6.709 13.145
9 HB3 SER 2 2HB SER 2 15.442 7.633 11.800
10 HG SER 2 HG SER 2 16.812 5.911 12.477
11 H SER 3 H SER 3 14.941 10.389 11.898
12 HA SER 3 HA SER 3 12.404 11.336 12.956
13 HB2 SER 3 1HB SER 3 12.452 12.793 10.946
14 HB3 SER 3 2HB SER 3 13.927 12.882 11.923
15 HG SER 3 HG SER 3 14.375 12.696 9.667
16 H GLY 4 H GLY 4 13.196 8.717 10.889
17 HA2 GLY 4 1HA GLY 4 10.481 7.878 10.543
18 HA3 GLY 4 2HA GLY 4 11.084 8.586 9.041
19 H SER 5 H SER 5 10.478 6.203 8.522
20 HA SER 5 HA SER 5 12.418 4.141 9.199
21 HB2 SER 5 1HB SER 5 11.120 2.788 7.553
22 HB3 SER 5 2HB SER 5 10.157 3.476 8.869
23 HG SER 5 HG SER 5 9.130 3.753 6.847
24 H SER 6 H SER 6 13.687 2.958 7.664
25 HA SER 6 HA SER 6 15.106 4.720 5.759
26 HB2 SER 6 1HB SER 6 16.308 3.395 7.511
27 HB3 SER 6 2HB SER 6 15.838 1.916 6.647
28 HG SER 6 HG SER 6 17.928 2.724 6.036
29 H GLY 7 H GLY 7 15.686 4.033 3.641
30 HA2 GLY 7 1HA GLY 7 15.346 3.140 1.538
31 HA3 GLY 7 2HA GLY 7 14.398 1.840 2.250
32 H LYS 8 H LYS 8 13.490 2.523 -0.052
33 HA LYS 8 HA LYS 8 11.537 4.720 0.010
34 HB2 LYS 8 1HB LYS 8 12.902 4.132 -1.991
35 HB3 LYS 8 2HB LYS 8 12.038 2.607 -2.142
36 HG2 LYS 8 1HG LYS 8 10.534 5.248 -2.110
37 HG3 LYS 8 2HG LYS 8 11.387 4.728 -3.562
38 HD2 LYS 8 1HD LYS 8 10.092 2.620 -3.615
39 HD3 LYS 8 2HD LYS 8 9.146 3.142 -2.226
40 HE2 LYS 8 1HE LYS 8 9.303 4.573 -4.917
41 HE3 LYS 8 2HE LYS 8 7.998 3.509 -4.389
42 HZ1 LYS 8 3HZ LYS 8 7.351 5.767 -4.001
43 HZ2 LYS 8 1HZ LYS 8 8.700 6.109 -3.152
44 HZ3 LYS 8 2HZ LYS 8 7.589 5.077 -2.534
45 H ILE 9 H ILE 9 9.462 4.634 0.360
46 HA ILE 9 HA ILE 9 8.047 2.044 0.745
47 HB ILE 9 HB ILE 9 6.816 3.248 2.623
48 HG12 ILE 9 1HG1 ILE 9 8.127 4.939 3.882
49 HG13 ILE 9 2HG1 ILE 9 9.242 5.117 2.558
50 HG21 ILE 9 1HG2 ILE 9 8.481 2.601 4.268
51 HG22 ILE 9 2HG2 ILE 9 8.461 1.432 2.942
52 HG23 ILE 9 3HG2 ILE 9 9.766 2.635 3.045
53 HD11 ILE 9 3HD1 ILE 9 7.472 6.906 2.746
54 HD12 ILE 9 1HD1 ILE 9 7.524 6.125 1.163
55 HD13 ILE 9 2HD1 ILE 9 6.250 5.686 2.331
56 H PHE 10 H PHE 10 5.688 2.323 0.811
57 HA PHE 10 HA PHE 10 4.680 4.282 -1.233
58 HB2 PHE 10 1HB PHE 10 4.057 1.322 -0.856
59 HB3 PHE 10 2HB PHE 10 3.148 2.399 -1.896
60 HD1 PHE 10 2HD PHE 10 6.466 0.770 -1.438
61 HD2 PHE 10 1HD PHE 10 3.922 3.060 -4.064
62 HE1 PHE 10 2HE PHE 10 7.986 0.276 -3.343
63 HE2 PHE 10 1HE PHE 10 5.428 2.546 -5.968
64 HZ PHE 10 HZ PHE 10 7.426 1.120 -5.626
65 H THR 11 H THR 11 3.061 5.553 -0.469
66 HA THR 11 HA THR 11 1.818 4.854 2.154
67 HB THR 11 HB THR 11 1.898 7.605 0.905
68 HG1 THR 11 1HG THR 11 3.752 7.969 2.086
69 HG21 THR 11 3HG2 THR 11 1.629 6.545 3.759
70 HG22 THR 11 1HG2 THR 11 0.389 7.394 2.800
71 HG23 THR 11 2HG2 THR 11 1.829 8.261 3.341
72 H CYS 12 H CYS 12 -0.289 4.630 2.424
73 HA CYS 12 HA CYS 12 -2.212 4.693 0.281
74 HB2 CYS 12 1HB CYS 12 -2.262 3.166 2.219
75 HB3 CYS 12 2HB CYS 12 -2.481 4.553 3.305
76 H GLU 13 H GLU 13 -3.240 6.372 -0.551
77 HA GLU 13 HA GLU 13 -3.032 9.025 0.620
78 HB2 GLU 13 1HB GLU 13 -4.217 9.794 -1.331
79 HB3 GLU 13 2HB GLU 13 -2.962 8.650 -1.808
80 HG2 GLU 13 1HG GLU 13 -4.690 6.865 -2.033
81 HG3 GLU 13 2HG GLU 13 -5.939 8.034 -1.585
82 H TYR 14 H TYR 14 -5.090 6.479 1.335
83 HA TYR 14 HA TYR 14 -7.464 8.169 1.947
84 HB2 TYR 14 1HB TYR 14 -7.090 5.174 1.844
85 HB3 TYR 14 2HB TYR 14 -8.605 6.004 2.137
86 HD1 TYR 14 1HD TYR 14 -9.659 7.387 0.315
87 HD2 TYR 14 2HD TYR 14 -6.248 4.838 -0.417
88 HE1 TYR 14 1HE TYR 14 -10.151 7.426 -2.124
89 HE2 TYR 14 2HE TYR 14 -6.748 4.887 -2.857
90 HH TYR 14 HH TYR 14 -9.524 6.702 -4.205
91 H CYS 15 H CYS 15 -5.110 6.036 3.577
92 HA CYS 15 HA CYS 15 -6.087 7.069 6.190
93 HB2 CYS 15 1HB CYS 15 -5.992 4.939 7.232
94 HB3 CYS 15 2HB CYS 15 -7.106 4.902 5.869
95 H ASN 16 H ASN 16 -3.457 7.021 4.253
96 HA ASN 16 HA ASN 16 -1.274 7.441 4.479
97 HB2 ASN 16 1HB ASN 16 -2.049 8.537 7.191
98 HB3 ASN 16 2HB ASN 16 -0.526 8.828 6.363
99 HD21 ASN 16 1HD2 ASN 16 -3.964 9.612 6.367
100 HD22 ASN 16 2HD2 ASN 16 -3.824 10.879 5.157
101 H LYS 17 H LYS 17 -2.175 4.732 5.362
102 HA LYS 17 HA LYS 17 -0.025 3.764 7.093
103 HB2 LYS 17 1HB LYS 17 -2.238 2.636 6.907
104 HB3 LYS 17 2HB LYS 17 -1.901 2.257 5.214
105 HG2 LYS 17 1HG LYS 17 -0.027 0.830 5.846
106 HG3 LYS 17 2HG LYS 17 -0.149 1.346 7.540
107 HD2 LYS 17 1HD LYS 17 -2.324 0.251 7.776
108 HD3 LYS 17 2HD LYS 17 -2.380 -0.092 6.046
109 HE2 LYS 17 1HE LYS 17 -1.779 -2.128 7.148
110 HE3 LYS 17 2HE LYS 17 -0.363 -1.548 6.267
111 HZ1 LYS 17 3HZ LYS 17 0.191 -2.296 8.522
112 HZ2 LYS 17 1HZ LYS 17 -0.812 -1.197 9.189
113 HZ3 LYS 17 2HZ LYS 17 0.523 -0.708 8.377
114 H VAL 18 H VAL 18 1.863 2.793 6.462
115 HA VAL 18 HA VAL 18 2.701 3.161 3.629
116 HB VAL 18 HB VAL 18 5.073 3.121 4.700
117 HG11 VAL 18 1HG1 VAL 18 5.061 5.547 4.812
118 HG12 VAL 18 2HG1 VAL 18 4.094 4.977 3.445
119 HG13 VAL 18 3HG1 VAL 18 3.289 5.559 4.924
120 HG21 VAL 18 3HG2 VAL 18 4.271 2.707 7.057
121 HG22 VAL 18 1HG2 VAL 18 5.259 4.170 6.865
122 HG23 VAL 18 2HG2 VAL 18 3.499 4.318 7.010
123 H PHE 19 H PHE 19 3.791 1.711 2.534
124 HA PHE 19 HA PHE 19 4.176 -1.037 3.646
125 HB2 PHE 19 1HB PHE 19 3.100 -0.286 0.906
126 HB3 PHE 19 2HB PHE 19 3.362 -1.907 1.521
127 HD1 PHE 19 2HD PHE 19 1.241 1.137 1.880
128 HD2 PHE 19 1HD PHE 19 1.757 -3.010 2.932
129 HE1 PHE 19 2HE PHE 19 -1.015 1.123 2.929
130 HE2 PHE 19 1HE PHE 19 -0.519 -3.040 3.926
131 HZ PHE 19 HZ PHE 19 -1.887 -0.967 3.949
132 H LYS 20 H LYS 20 5.637 -2.370 2.407
133 HA LYS 20 HA LYS 20 8.099 -0.926 1.757
134 HB2 LYS 20 1HB LYS 20 7.473 -3.886 1.965
135 HB3 LYS 20 2HB LYS 20 9.084 -3.177 1.735
136 HG2 LYS 20 1HG LYS 20 8.756 -1.846 3.855
137 HG3 LYS 20 2HG LYS 20 7.201 -2.656 4.086
138 HD2 LYS 20 1HD LYS 20 8.829 -3.721 5.471
139 HD3 LYS 20 2HD LYS 20 8.360 -4.844 4.180
140 HE2 LYS 20 1HE LYS 20 10.441 -4.296 2.944
141 HE3 LYS 20 2HE LYS 20 10.885 -3.122 4.189
142 HZ1 LYS 20 3HZ LYS 20 11.008 -4.963 5.784
143 HZ2 LYS 20 1HZ LYS 20 12.009 -5.249 4.529
144 HZ3 LYS 20 2HZ LYS 20 10.592 -6.048 4.634
145 H PHE 21 H PHE 21 5.633 -2.523 -0.115
146 HA PHE 21 HA PHE 21 7.190 -2.161 -2.630
147 HB2 PHE 21 1HB PHE 21 5.454 -4.561 -1.957
148 HB3 PHE 21 2HB PHE 21 6.432 -4.322 -3.392
149 HD1 PHE 21 2HD PHE 21 9.030 -4.093 -3.046
150 HD2 PHE 21 1HD PHE 21 6.334 -5.730 -0.103
151 HE1 PHE 21 2HE PHE 21 10.939 -5.213 -1.917
152 HE2 PHE 21 1HE PHE 21 8.247 -6.847 1.025
153 HZ PHE 21 HZ PHE 21 10.552 -6.587 0.121
154 H LYS 22 H LYS 22 5.936 -1.914 -4.530
155 HA LYS 22 HA LYS 22 3.690 -0.214 -4.289
156 HB2 LYS 22 1HB LYS 22 5.290 -0.366 -6.236
157 HB3 LYS 22 2HB LYS 22 4.516 -1.877 -6.718
158 HG2 LYS 22 1HG LYS 22 2.348 -0.680 -6.901
159 HG3 LYS 22 2HG LYS 22 3.145 0.842 -6.458
160 HD2 LYS 22 1HD LYS 22 4.622 0.636 -8.459
161 HD3 LYS 22 2HD LYS 22 3.778 -0.860 -8.916
162 HE2 LYS 22 1HE LYS 22 1.637 0.406 -9.059
163 HE3 LYS 22 2HE LYS 22 2.489 1.892 -8.612
164 HZ1 LYS 22 3HZ LYS 22 3.025 0.294 -11.063
165 HZ2 LYS 22 1HZ LYS 22 3.811 1.667 -10.650
166 HZ3 LYS 22 2HZ LYS 22 2.224 1.714 -11.021
167 H HIS 23 H HIS 23 3.739 -3.664 -5.234
168 HA HIS 23 HA HIS 23 0.935 -3.908 -5.608
169 HB2 HIS 23 1HB HIS 23 1.376 -6.348 -5.540
170 HB3 HIS 23 2HB HIS 23 2.453 -5.464 -6.610
171 HD1 HIS 23 1HD HIS 23 5.018 -5.871 -6.224
172 HD2 HIS 23 2HD HIS 23 2.531 -7.134 -3.069
173 HE1 HIS 23 1HE HIS 23 6.520 -7.104 -4.576
174 H SER 24 H SER 24 2.776 -3.915 -2.666
175 HA SER 24 HA SER 24 0.832 -5.278 -0.976
176 HB2 SER 24 1HB SER 24 3.050 -3.313 -0.293
177 HB3 SER 24 2HB SER 24 2.084 -4.210 0.872
178 HG SER 24 HG SER 24 2.935 -6.146 0.024
179 H LEU 25 H LEU 25 1.579 -1.823 -1.631
180 HA LEU 25 HA LEU 25 -0.615 -0.778 -0.086
181 HB2 LEU 25 1HB LEU 25 1.251 0.659 -0.663
182 HB3 LEU 25 2HB LEU 25 1.047 0.330 -2.386
183 HG LEU 25 HG LEU 25 -1.139 1.500 -2.382
184 HD11 LEU 25 1HD1 LEU 25 -1.881 2.786 -0.483
185 HD12 LEU 25 2HD1 LEU 25 -0.494 2.259 0.498
186 HD13 LEU 25 3HD1 LEU 25 -1.764 1.112 0.019
187 HD21 LEU 25 3HD2 LEU 25 -0.300 3.755 -2.130
188 HD22 LEU 25 1HD2 LEU 25 0.930 2.727 -2.888
189 HD23 LEU 25 2HD2 LEU 25 1.071 3.169 -1.168
190 H GLN 26 H GLN 26 -0.222 -1.649 -3.521
191 HA GLN 26 HA GLN 26 -2.705 -0.555 -4.424
192 HB2 GLN 26 1HB GLN 26 -0.890 -2.698 -5.551
193 HB3 GLN 26 2HB GLN 26 -2.354 -2.208 -6.385
194 HG2 GLN 26 1HG GLN 26 -0.155 -0.251 -5.576
195 HG3 GLN 26 2HG GLN 26 -0.237 -1.037 -7.148
196 HE21 GLN 26 1HE2 GLN 26 -0.355 1.872 -6.552
197 HE22 GLN 26 2HE2 GLN 26 -1.895 2.389 -7.224
198 H ALA 27 H ALA 27 -2.018 -3.757 -3.104
199 HA ALA 27 HA ALA 27 -4.710 -4.815 -3.446
200 HB1 ALA 27 1HB ALA 27 -2.421 -5.520 -1.568
201 HB2 ALA 27 2HB ALA 27 -3.863 -6.523 -1.862
202 HB3 ALA 27 3HB ALA 27 -2.701 -6.223 -3.183
203 H HIS 28 H HIS 28 -3.026 -3.047 -0.791
204 HA HIS 28 HA HIS 28 -5.154 -3.253 1.128
205 HB2 HIS 28 1HB HIS 28 -3.003 -2.667 1.905
206 HB3 HIS 28 2HB HIS 28 -2.812 -1.367 0.742
207 HD1 HIS 28 1HD HIS 28 -4.734 -2.096 4.003
208 HD2 HIS 28 2HD HIS 28 -3.750 1.016 1.353
209 HE1 HIS 28 1HE HIS 28 -5.439 0.048 5.163
210 H LEU 29 H LEU 29 -4.675 -1.008 -1.614
211 HA LEU 29 HA LEU 29 -6.681 0.884 -0.994
212 HB2 LEU 29 1HB LEU 29 -6.094 -0.207 -3.767
213 HB3 LEU 29 2HB LEU 29 -6.835 1.339 -3.368
214 HG LEU 29 HG LEU 29 -3.977 0.496 -2.873
215 HD11 LEU 29 1HD1 LEU 29 -4.559 1.079 -5.168
216 HD12 LEU 29 2HD1 LEU 29 -3.430 2.247 -4.454
217 HD13 LEU 29 3HD1 LEU 29 -5.154 2.670 -4.616
218 HD21 LEU 29 3HD2 LEU 29 -4.579 1.935 -0.991
219 HD22 LEU 29 1HD2 LEU 29 -5.418 3.067 -2.071
220 HD23 LEU 29 2HD2 LEU 29 -3.649 2.909 -2.132
221 H ARG 30 H ARG 30 -7.140 -2.430 -2.020
222 HA ARG 30 HA ARG 30 -9.746 -2.243 -3.130
223 HB2 ARG 30 1HB ARG 30 -8.491 -4.607 -1.732
224 HB3 ARG 30 2HB ARG 30 -9.919 -4.614 -2.781
225 HG2 ARG 30 1HG ARG 30 -8.553 -3.756 -4.683
226 HG3 ARG 30 2HG ARG 30 -7.120 -3.764 -3.660
227 HD2 ARG 30 1HD ARG 30 -7.056 -5.749 -4.963
228 HD3 ARG 30 2HD ARG 30 -7.395 -6.187 -3.288
229 HE ARG 30 HE ARG 30 -9.485 -6.996 -3.896
230 HH11 ARG 30 2HH1 ARG 30 -8.240 -5.257 -6.678
231 HH12 ARG 30 1HH1 ARG 30 -9.511 -5.839 -7.717
232 HH21 ARG 30 2HH2 ARG 30 -11.073 -7.687 -5.276
233 HH22 ARG 30 1HH2 ARG 30 -11.067 -7.178 -6.938
234 H ILE 31 H ILE 31 -8.876 -1.922 0.206
235 HA ILE 31 HA ILE 31 -11.611 -2.449 1.178
236 HB ILE 31 HB ILE 31 -10.890 -2.044 3.312
237 HG12 ILE 31 1HG1 ILE 31 -8.485 -0.528 2.261
238 HG13 ILE 31 2HG1 ILE 31 -9.851 0.106 3.167
239 HG21 ILE 31 1HG2 ILE 31 -9.071 -3.576 3.636
240 HG22 ILE 31 2HG2 ILE 31 -9.939 -4.097 2.193
241 HG23 ILE 31 3HG2 ILE 31 -8.393 -3.233 2.034
242 HD11 ILE 31 3HD1 ILE 31 -9.171 -1.285 5.133
243 HD12 ILE 31 1HD1 ILE 31 -7.692 -1.734 4.243
244 HD13 ILE 31 2HD1 ILE 31 -8.000 -0.040 4.658
245 H HIS 32 H HIS 32 -9.766 0.272 0.025
246 HA HIS 32 HA HIS 32 -11.608 2.326 1.034
247 HB2 HIS 32 1HB HIS 32 -9.028 2.415 -0.582
248 HB3 HIS 32 2HB HIS 32 -9.903 3.817 -0.031
249 HD1 HIS 32 1HD HIS 32 -10.266 3.672 2.913
250 HD2 HIS 32 2HD HIS 32 -7.002 1.930 0.928
251 HE1 HIS 32 1HE HIS 32 -8.404 3.532 4.637
252 H THR 33 H THR 33 -10.996 0.590 -1.999
253 HA THR 33 HA THR 33 -12.414 2.410 -3.742
254 HB THR 33 HB THR 33 -12.535 0.459 -5.289
255 HG1 THR 33 1HG THR 33 -11.659 -1.453 -4.686
256 HG21 THR 33 3HG2 THR 33 -10.126 0.158 -5.648
257 HG22 THR 33 1HG2 THR 33 -9.778 0.872 -4.065
258 HG23 THR 33 2HG2 THR 33 -10.521 1.861 -5.336
259 H ASN 34 H ASN 34 -13.604 0.191 -1.379
260 HA ASN 34 HA ASN 34 -16.053 -0.593 -2.607
261 HB2 ASN 34 1HB ASN 34 -15.003 -1.753 -0.688
262 HB3 ASN 34 2HB ASN 34 -15.300 -0.345 0.339
263 HD21 ASN 34 1HD2 ASN 34 -16.939 -2.901 -1.576
264 HD22 ASN 34 2HD2 ASN 34 -18.426 -2.826 -0.642
265 H GLU 35 H GLU 35 -18.071 0.262 -2.675
266 HA GLU 35 HA GLU 35 -18.804 2.693 -1.175
267 HB2 GLU 35 1HB GLU 35 -17.687 3.481 -3.264
268 HB3 GLU 35 2HB GLU 35 -18.859 2.571 -4.223
269 HG2 GLU 35 1HG GLU 35 -20.692 3.965 -3.344
270 HG3 GLU 35 2HG GLU 35 -19.570 4.796 -2.262
271 H LYS 36 H LYS 36 -21.003 2.893 -0.860
272 HA LYS 36 HA LYS 36 -22.902 0.989 -2.118
273 HB2 LYS 36 1HB LYS 36 -22.594 1.498 0.868
274 HB3 LYS 36 2HB LYS 36 -23.958 0.655 0.160
275 HG2 LYS 36 1HG LYS 36 -21.110 -0.392 -0.160
276 HG3 LYS 36 2HG LYS 36 -22.068 -0.690 1.275
277 HD2 LYS 36 1HD LYS 36 -22.236 -2.597 -0.130
278 HD3 LYS 36 2HD LYS 36 -23.816 -1.812 -0.051
279 HE2 LYS 36 1HE LYS 36 -23.486 -0.847 -2.283
280 HE3 LYS 36 2HE LYS 36 -21.833 -1.475 -2.345
281 HZ1 LYS 36 3HZ LYS 36 -22.767 -3.727 -2.286
282 HZ2 LYS 36 1HZ LYS 36 -23.379 -2.903 -3.554
283 HZ3 LYS 36 2HZ LYS 36 -24.292 -3.140 -2.223
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 27.112 -0.411 -4.147
2 H2 GLY 1 2H GLY 1 26.431 -1.502 -3.131
3 H3 GLY 1 3H GLY 1 25.596 -0.166 -3.581
4 HA2 GLY 1 1HA GLY 1 26.411 -2.367 -5.368
5 HA3 GLY 1 2HA GLY 1 24.767 -2.083 -4.768
6 H SER 2 H SER 2 23.921 -1.854 -6.877
7 HA SER 2 HA SER 2 24.907 0.154 -8.742
8 HB2 SER 2 1HB SER 2 22.885 -0.481 -10.043
9 HB3 SER 2 2HB SER 2 23.931 -1.845 -9.620
10 HG SER 2 HG SER 2 21.703 -2.301 -9.252
11 H SER 3 H SER 3 23.625 1.929 -9.576
12 HA SER 3 HA SER 3 22.722 3.703 -7.537
13 HB2 SER 3 1HB SER 3 22.349 3.909 -10.547
14 HB3 SER 3 2HB SER 3 22.190 5.230 -9.374
15 HG SER 3 HG SER 3 24.270 5.186 -10.367
16 H GLY 4 H GLY 4 20.749 4.313 -6.811
17 HA2 GLY 4 1HA GLY 4 18.246 4.227 -8.003
18 HA3 GLY 4 2HA GLY 4 18.436 2.631 -7.273
19 H SER 5 H SER 5 16.406 3.777 -6.261
20 HA SER 5 HA SER 5 16.786 5.627 -4.091
21 HB2 SER 5 1HB SER 5 14.525 3.644 -4.545
22 HB3 SER 5 2HB SER 5 14.479 5.072 -3.499
23 HG SER 5 HG SER 5 14.731 6.380 -5.350
24 H SER 6 H SER 6 16.579 5.282 -1.843
25 HA SER 6 HA SER 6 16.899 2.540 -0.756
26 HB2 SER 6 1HB SER 6 19.180 3.533 -1.021
27 HB3 SER 6 2HB SER 6 18.693 4.856 0.058
28 HG SER 6 HG SER 6 19.761 3.119 1.163
29 H GLY 7 H GLY 7 16.178 2.318 1.412
30 HA2 GLY 7 1HA GLY 7 14.662 2.661 3.120
31 HA3 GLY 7 2HA GLY 7 14.963 4.404 2.966
32 H LYS 8 H LYS 8 13.744 2.590 0.250
33 HA LYS 8 HA LYS 8 11.628 4.493 -0.032
34 HB2 LYS 8 1HB LYS 8 11.277 3.579 -2.186
35 HB3 LYS 8 2HB LYS 8 13.001 3.595 -1.843
36 HG2 LYS 8 1HG LYS 8 12.859 1.536 -2.793
37 HG3 LYS 8 2HG LYS 8 12.589 1.063 -1.115
38 HD2 LYS 8 1HD LYS 8 10.072 1.204 -1.608
39 HD3 LYS 8 2HD LYS 8 10.482 1.462 -3.299
40 HE2 LYS 8 1HE LYS 8 11.295 -0.960 -1.622
41 HE3 LYS 8 2HE LYS 8 9.907 -0.912 -2.702
42 HZ1 LYS 8 3HZ LYS 8 11.802 -1.919 -3.807
43 HZ2 LYS 8 1HZ LYS 8 12.738 -0.611 -3.562
44 HZ3 LYS 8 2HZ LYS 8 11.449 -0.518 -4.565
45 H ILE 9 H ILE 9 9.540 4.366 -0.037
46 HA ILE 9 HA ILE 9 8.006 2.032 0.930
47 HB ILE 9 HB ILE 9 6.815 3.530 2.588
48 HG12 ILE 9 1HG1 ILE 9 9.353 5.209 2.583
49 HG13 ILE 9 2HG1 ILE 9 7.933 5.675 1.646
50 HG21 ILE 9 1HG2 ILE 9 8.374 1.689 3.208
51 HG22 ILE 9 2HG2 ILE 9 9.701 2.869 3.283
52 HG23 ILE 9 3HG2 ILE 9 8.325 2.996 4.393
53 HD11 ILE 9 3HD1 ILE 9 7.973 6.812 3.810
54 HD12 ILE 9 1HD1 ILE 9 6.555 5.766 3.637
55 HD13 ILE 9 2HD1 ILE 9 7.925 5.254 4.657
56 H PHE 10 H PHE 10 5.737 2.294 0.761
57 HA PHE 10 HA PHE 10 4.749 4.326 -1.211
58 HB2 PHE 10 1HB PHE 10 4.056 1.374 -0.905
59 HB3 PHE 10 2HB PHE 10 3.161 2.504 -1.902
60 HD1 PHE 10 2HD PHE 10 6.432 0.766 -1.540
61 HD2 PHE 10 1HD PHE 10 3.927 3.211 -4.060
62 HE1 PHE 10 2HE PHE 10 7.928 0.313 -3.475
63 HE2 PHE 10 1HE PHE 10 5.418 2.750 -5.990
64 HZ PHE 10 HZ PHE 10 7.396 1.280 -5.711
65 H THR 11 H THR 11 3.030 5.524 -0.491
66 HA THR 11 HA THR 11 1.828 4.805 2.159
67 HB THR 11 HB THR 11 2.036 7.577 0.957
68 HG1 THR 11 1HG THR 11 3.832 7.862 2.230
69 HG21 THR 11 3HG2 THR 11 1.878 8.184 3.422
70 HG22 THR 11 1HG2 THR 11 1.509 6.478 3.757
71 HG23 THR 11 2HG2 THR 11 0.418 7.460 2.737
72 H CYS 12 H CYS 12 -0.301 4.658 2.418
73 HA CYS 12 HA CYS 12 -2.195 4.748 0.272
74 HB2 CYS 12 1HB CYS 12 -2.292 3.304 2.270
75 HB3 CYS 12 2HB CYS 12 -2.484 4.738 3.294
76 H GLU 13 H GLU 13 -3.334 6.378 -0.551
77 HA GLU 13 HA GLU 13 -3.021 9.078 0.549
78 HB2 GLU 13 1HB GLU 13 -4.198 9.840 -1.409
79 HB3 GLU 13 2HB GLU 13 -2.945 8.691 -1.874
80 HG2 GLU 13 1HG GLU 13 -4.680 6.912 -2.098
81 HG3 GLU 13 2HG GLU 13 -5.926 8.090 -1.664
82 H TYR 14 H TYR 14 -5.111 6.527 1.230
83 HA TYR 14 HA TYR 14 -7.473 8.232 1.833
84 HB2 TYR 14 1HB TYR 14 -7.139 5.229 1.714
85 HB3 TYR 14 2HB TYR 14 -8.638 6.080 2.004
86 HD1 TYR 14 1HD TYR 14 -9.646 7.503 0.173
87 HD2 TYR 14 2HD TYR 14 -6.281 4.885 -0.533
88 HE1 TYR 14 1HE TYR 14 -10.108 7.563 -2.272
89 HE2 TYR 14 2HE TYR 14 -6.754 4.951 -2.976
90 HH TYR 14 HH TYR 14 -9.473 6.833 -4.350
91 H CYS 15 H CYS 15 -5.151 6.089 3.489
92 HA CYS 15 HA CYS 15 -6.106 7.189 6.085
93 HB2 CYS 15 1HB CYS 15 -6.076 5.076 7.174
94 HB3 CYS 15 2HB CYS 15 -7.177 5.027 5.803
95 H ASN 16 H ASN 16 -3.489 6.973 4.131
96 HA ASN 16 HA ASN 16 -1.282 7.225 4.317
97 HB2 ASN 16 1HB ASN 16 -1.784 8.541 6.973
98 HB3 ASN 16 2HB ASN 16 -0.453 8.823 5.850
99 HD21 ASN 16 1HD2 ASN 16 -1.937 9.027 3.362
100 HD22 ASN 16 2HD2 ASN 16 -2.849 10.520 3.516
101 H LYS 17 H LYS 17 -2.239 4.665 5.270
102 HA LYS 17 HA LYS 17 -0.149 3.695 7.078
103 HB2 LYS 17 1HB LYS 17 -2.387 2.601 6.865
104 HB3 LYS 17 2HB LYS 17 -2.002 2.156 5.199
105 HG2 LYS 17 1HG LYS 17 -0.175 0.729 5.935
106 HG3 LYS 17 2HG LYS 17 -0.310 1.326 7.599
107 HD2 LYS 17 1HD LYS 17 -2.521 0.302 7.836
108 HD3 LYS 17 2HD LYS 17 -2.488 -0.238 6.145
109 HE2 LYS 17 1HE LYS 17 -0.486 -1.620 6.608
110 HE3 LYS 17 2HE LYS 17 -0.459 -1.045 8.280
111 HZ1 LYS 17 3HZ LYS 17 -2.623 -2.110 8.621
112 HZ2 LYS 17 1HZ LYS 17 -1.531 -3.212 8.120
113 HZ3 LYS 17 2HZ LYS 17 -2.653 -2.650 7.077
114 H VAL 18 H VAL 18 1.695 2.584 6.463
115 HA VAL 18 HA VAL 18 2.628 3.072 3.677
116 HB VAL 18 HB VAL 18 4.961 3.075 4.844
117 HG11 VAL 18 1HG1 VAL 18 4.053 4.912 3.582
118 HG12 VAL 18 2HG1 VAL 18 3.034 5.407 4.963
119 HG13 VAL 18 3HG1 VAL 18 4.797 5.526 5.069
120 HG21 VAL 18 3HG2 VAL 18 4.056 2.611 7.166
121 HG22 VAL 18 1HG2 VAL 18 5.027 4.090 7.022
122 HG23 VAL 18 2HG2 VAL 18 3.261 4.213 7.091
123 H PHE 19 H PHE 19 3.792 1.705 2.587
124 HA PHE 19 HA PHE 19 4.147 -1.089 3.577
125 HB2 PHE 19 1HB PHE 19 3.072 -0.221 0.864
126 HB3 PHE 19 2HB PHE 19 3.315 -1.869 1.435
127 HD1 PHE 19 2HD PHE 19 1.231 1.186 1.798
128 HD2 PHE 19 1HD PHE 19 1.714 -2.948 2.914
129 HE1 PHE 19 2HE PHE 19 -1.011 1.218 2.882
130 HE2 PHE 19 1HE PHE 19 -0.545 -2.930 3.952
131 HZ PHE 19 HZ PHE 19 -1.886 -0.839 3.962
132 H LYS 20 H LYS 20 5.625 -2.364 2.291
133 HA LYS 20 HA LYS 20 8.061 -0.829 1.688
134 HB2 LYS 20 1HB LYS 20 7.536 -3.805 1.949
135 HB3 LYS 20 2HB LYS 20 9.129 -3.039 1.753
136 HG2 LYS 20 1HG LYS 20 8.548 -1.624 3.839
137 HG3 LYS 20 2HG LYS 20 7.155 -2.686 4.052
138 HD2 LYS 20 1HD LYS 20 8.878 -3.506 5.479
139 HD3 LYS 20 2HD LYS 20 8.696 -4.644 4.144
140 HE2 LYS 20 1HE LYS 20 11.037 -4.420 4.546
141 HE3 LYS 20 2HE LYS 20 10.699 -3.587 3.028
142 HZ1 LYS 20 3HZ LYS 20 10.756 -1.477 4.261
143 HZ2 LYS 20 1HZ LYS 20 12.152 -2.287 4.490
144 HZ3 LYS 20 2HZ LYS 20 11.030 -2.259 5.671
145 H PHE 21 H PHE 21 5.666 -2.469 -0.201
146 HA PHE 21 HA PHE 21 7.233 -2.068 -2.699
147 HB2 PHE 21 1HB PHE 21 5.644 -4.555 -1.955
148 HB3 PHE 21 2HB PHE 21 6.451 -4.257 -3.484
149 HD1 PHE 21 2HD PHE 21 9.007 -4.032 -3.527
150 HD2 PHE 21 1HD PHE 21 6.834 -5.512 -0.108
151 HE1 PHE 21 2HE PHE 21 11.099 -5.031 -2.625
152 HE2 PHE 21 1HE PHE 21 8.928 -6.501 0.794
153 HZ PHE 21 HZ PHE 21 11.062 -6.258 -0.462
154 H LYS 22 H LYS 22 5.949 -1.849 -4.604
155 HA LYS 22 HA LYS 22 3.701 -0.172 -4.279
156 HB2 LYS 22 1HB LYS 22 5.261 -0.263 -6.261
157 HB3 LYS 22 2HB LYS 22 4.469 -1.755 -6.777
158 HG2 LYS 22 1HG LYS 22 2.304 -0.553 -6.875
159 HG3 LYS 22 2HG LYS 22 3.103 0.950 -6.377
160 HD2 LYS 22 1HD LYS 22 4.531 0.864 -8.412
161 HD3 LYS 22 2HD LYS 22 3.711 -0.630 -8.921
162 HE2 LYS 22 1HE LYS 22 1.542 0.584 -8.980
163 HE3 LYS 22 2HE LYS 22 2.353 2.068 -8.463
164 HZ1 LYS 22 3HZ LYS 22 2.066 2.013 -10.874
165 HZ2 LYS 22 1HZ LYS 22 2.909 0.622 -11.002
166 HZ3 LYS 22 2HZ LYS 22 3.658 1.994 -10.524
167 H HIS 23 H HIS 23 3.733 -3.598 -5.315
168 HA HIS 23 HA HIS 23 0.934 -3.858 -5.646
169 HB2 HIS 23 1HB HIS 23 1.392 -6.308 -5.527
170 HB3 HIS 23 2HB HIS 23 2.420 -5.427 -6.646
171 HD1 HIS 23 1HD HIS 23 4.980 -5.857 -6.378
172 HD2 HIS 23 2HD HIS 23 2.664 -6.958 -3.037
173 HE1 HIS 23 1HE HIS 23 6.567 -7.017 -4.756
174 H SER 24 H SER 24 2.783 -3.848 -2.703
175 HA SER 24 HA SER 24 0.824 -5.197 -1.017
176 HB2 SER 24 1HB SER 24 3.152 -3.355 -0.371
177 HB3 SER 24 2HB SER 24 2.126 -4.131 0.829
178 HG SER 24 HG SER 24 3.931 -5.443 0.446
179 H LEU 25 H LEU 25 1.593 -1.748 -1.691
180 HA LEU 25 HA LEU 25 -0.605 -0.694 -0.140
181 HB2 LEU 25 1HB LEU 25 1.255 0.746 -0.724
182 HB3 LEU 25 2HB LEU 25 1.059 0.402 -2.443
183 HG LEU 25 HG LEU 25 -1.128 1.565 -2.461
184 HD11 LEU 25 1HD1 LEU 25 -1.886 2.870 -0.580
185 HD12 LEU 25 2HD1 LEU 25 -0.505 2.351 0.418
186 HD13 LEU 25 3HD1 LEU 25 -1.770 1.200 -0.063
187 HD21 LEU 25 3HD2 LEU 25 1.074 3.248 -1.248
188 HD22 LEU 25 1HD2 LEU 25 -0.292 3.824 -2.225
189 HD23 LEU 25 2HD2 LEU 25 0.942 2.786 -2.964
190 H GLN 26 H GLN 26 -0.218 -1.599 -3.572
191 HA GLN 26 HA GLN 26 -2.729 -0.549 -4.464
192 HB2 GLN 26 1HB GLN 26 -0.995 -2.776 -5.580
193 HB3 GLN 26 2HB GLN 26 -2.435 -2.191 -6.397
194 HG2 GLN 26 1HG GLN 26 -0.055 -0.417 -5.691
195 HG3 GLN 26 2HG GLN 26 -0.302 -1.196 -7.249
196 HE21 GLN 26 1HE2 GLN 26 -2.542 -0.628 -8.337
197 HE22 GLN 26 2HE2 GLN 26 -3.023 1.051 -8.148
198 H ALA 27 H ALA 27 -1.980 -3.729 -3.122
199 HA ALA 27 HA ALA 27 -4.646 -4.838 -3.396
200 HB1 ALA 27 1HB ALA 27 -2.605 -6.191 -3.138
201 HB2 ALA 27 2HB ALA 27 -2.324 -5.467 -1.534
202 HB3 ALA 27 3HB ALA 27 -3.746 -6.507 -1.804
203 H HIS 28 H HIS 28 -3.004 -2.944 -0.814
204 HA HIS 28 HA HIS 28 -5.104 -3.180 1.137
205 HB2 HIS 28 1HB HIS 28 -2.959 -2.528 1.876
206 HB3 HIS 28 2HB HIS 28 -2.811 -1.248 0.689
207 HD1 HIS 28 1HD HIS 28 -4.730 -1.968 3.957
208 HD2 HIS 28 2HD HIS 28 -3.731 1.134 1.303
209 HE1 HIS 28 1HE HIS 28 -5.419 0.183 5.117
210 H LEU 29 H LEU 29 -4.705 -0.976 -1.651
211 HA LEU 29 HA LEU 29 -6.740 0.885 -1.042
212 HB2 LEU 29 1HB LEU 29 -6.169 -0.235 -3.807
213 HB3 LEU 29 2HB LEU 29 -6.915 1.312 -3.417
214 HG LEU 29 HG LEU 29 -4.046 0.486 -2.935
215 HD11 LEU 29 1HD1 LEU 29 -5.268 2.610 -4.713
216 HD12 LEU 29 2HD1 LEU 29 -4.606 1.031 -5.233
217 HD13 LEU 29 3HD1 LEU 29 -3.534 2.254 -4.528
218 HD21 LEU 29 3HD2 LEU 29 -3.717 2.902 -2.221
219 HD22 LEU 29 1HD2 LEU 29 -4.652 1.949 -1.068
220 HD23 LEU 29 2HD2 LEU 29 -5.487 3.069 -2.165
221 H ARG 30 H ARG 30 -7.150 -2.439 -2.011
222 HA ARG 30 HA ARG 30 -9.816 -2.344 -3.023
223 HB2 ARG 30 1HB ARG 30 -8.428 -4.624 -1.562
224 HB3 ARG 30 2HB ARG 30 -9.849 -4.752 -2.602
225 HG2 ARG 30 1HG ARG 30 -8.561 -4.077 -4.570
226 HG3 ARG 30 2HG ARG 30 -7.119 -3.796 -3.587
227 HD2 ARG 30 1HD ARG 30 -7.111 -6.178 -2.911
228 HD3 ARG 30 2HD ARG 30 -8.506 -6.474 -3.971
229 HE ARG 30 HE ARG 30 -6.642 -5.290 -5.640
230 HH11 ARG 30 2HH1 ARG 30 -6.570 -8.187 -3.672
231 HH12 ARG 30 1HH1 ARG 30 -5.395 -8.964 -4.698
232 HH21 ARG 30 2HH2 ARG 30 -5.154 -6.342 -6.910
233 HH22 ARG 30 1HH2 ARG 30 -4.624 -7.943 -6.485
234 H ILE 31 H ILE 31 -8.818 -1.912 0.263
235 HA ILE 31 HA ILE 31 -11.512 -2.490 1.328
236 HB ILE 31 HB ILE 31 -10.749 -2.050 3.427
237 HG12 ILE 31 1HG1 ILE 31 -8.380 -0.507 2.340
238 HG13 ILE 31 2HG1 ILE 31 -9.754 0.119 3.236
239 HG21 ILE 31 1HG2 ILE 31 -8.897 -3.547 3.736
240 HG22 ILE 31 2HG2 ILE 31 -9.785 -4.098 2.315
241 HG23 ILE 31 3HG2 ILE 31 -8.258 -3.209 2.115
242 HD11 ILE 31 3HD1 ILE 31 -7.574 -1.673 4.340
243 HD12 ILE 31 1HD1 ILE 31 -7.911 0.021 4.734
244 HD13 ILE 31 2HD1 ILE 31 -9.062 -1.238 5.220
245 H HIS 32 H HIS 32 -9.796 0.224 0.037
246 HA HIS 32 HA HIS 32 -11.603 2.275 1.130
247 HB2 HIS 32 1HB HIS 32 -9.096 2.346 -0.600
248 HB3 HIS 32 2HB HIS 32 -9.975 3.763 -0.100
249 HD1 HIS 32 1HD HIS 32 -10.286 3.703 2.873
250 HD2 HIS 32 2HD HIS 32 -7.016 1.983 0.876
251 HE1 HIS 32 1HE HIS 32 -8.401 3.627 4.574
252 H THR 33 H THR 33 -11.100 0.529 -1.913
253 HA THR 33 HA THR 33 -12.504 2.283 -3.670
254 HB THR 33 HB THR 33 -12.902 0.180 -5.032
255 HG1 THR 33 1HG THR 33 -12.840 -1.285 -3.257
256 HG21 THR 33 3HG2 THR 33 -10.508 -0.163 -5.557
257 HG22 THR 33 1HG2 THR 33 -10.055 0.744 -4.100
258 HG23 THR 33 2HG2 THR 33 -10.919 1.559 -5.419
259 H ASN 34 H ASN 34 -14.574 2.743 -3.975
260 HA ASN 34 HA ASN 34 -16.706 1.144 -2.640
261 HB2 ASN 34 1HB ASN 34 -17.574 3.139 -1.610
262 HB3 ASN 34 2HB ASN 34 -15.887 2.956 -1.156
263 HD21 ASN 34 1HD2 ASN 34 -16.899 5.373 -0.695
264 HD22 ASN 34 2HD2 ASN 34 -16.350 6.526 -1.904
265 H GLU 35 H GLU 35 -15.918 1.662 -5.587
266 HA GLU 35 HA GLU 35 -18.118 3.165 -6.710
267 HB2 GLU 35 1HB GLU 35 -15.903 2.930 -7.791
268 HB3 GLU 35 2HB GLU 35 -16.192 1.206 -8.012
269 HG2 GLU 35 1HG GLU 35 -16.557 2.418 -10.086
270 HG3 GLU 35 2HG GLU 35 -18.055 1.685 -9.547
271 H LYS 36 H LYS 36 -19.888 2.427 -7.910
272 HA LYS 36 HA LYS 36 -21.152 -0.010 -6.781
273 HB2 LYS 36 1HB LYS 36 -22.297 2.338 -8.340
274 HB3 LYS 36 2HB LYS 36 -23.231 0.963 -7.736
275 HG2 LYS 36 1HG LYS 36 -22.550 1.512 -5.406
276 HG3 LYS 36 2HG LYS 36 -21.653 2.921 -6.003
277 HD2 LYS 36 1HD LYS 36 -23.753 3.874 -6.922
278 HD3 LYS 36 2HD LYS 36 -24.654 2.468 -6.311
279 HE2 LYS 36 1HE LYS 36 -23.938 3.021 -3.996
280 HE3 LYS 36 2HE LYS 36 -23.039 4.417 -4.603
281 HZ1 LYS 36 3HZ LYS 36 -25.984 4.063 -4.822
282 HZ2 LYS 36 1HZ LYS 36 -25.152 5.354 -5.383
283 HZ3 LYS 36 2HZ LYS 36 -25.228 5.065 -3.780
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 28.662 -9.727 -2.484
2 H2 GLY 1 2H GLY 1 27.288 -10.591 -2.279
3 H3 GLY 1 3H GLY 1 28.393 -10.514 -1.071
4 HA2 GLY 1 1HA GLY 1 26.521 -9.095 -0.560
5 HA3 GLY 1 2HA GLY 1 28.013 -8.161 -0.774
6 H SER 2 H SER 2 25.646 -6.875 -0.986
7 HA SER 2 HA SER 2 25.369 -6.220 -3.892
8 HB2 SER 2 1HB SER 2 23.091 -6.527 -1.899
9 HB3 SER 2 2HB SER 2 22.945 -5.940 -3.567
10 HG SER 2 HG SER 2 22.452 -8.182 -3.379
11 H SER 3 H SER 3 24.696 -4.107 -4.367
12 HA SER 3 HA SER 3 24.950 -2.043 -2.218
13 HB2 SER 3 1HB SER 3 26.447 -2.075 -4.869
14 HB3 SER 3 2HB SER 3 26.441 -0.745 -3.698
15 HG SER 3 HG SER 3 28.281 -2.105 -3.468
16 H GLY 4 H GLY 4 24.221 0.095 -2.854
17 HA2 GLY 4 1HA GLY 4 22.984 1.659 -4.011
18 HA3 GLY 4 2HA GLY 4 22.750 0.513 -5.328
19 H SER 5 H SER 5 21.692 -0.934 -2.455
20 HA SER 5 HA SER 5 18.853 -0.570 -3.097
21 HB2 SER 5 1HB SER 5 19.848 -2.735 -2.323
22 HB3 SER 5 2HB SER 5 20.099 -2.000 -0.726
23 HG SER 5 HG SER 5 18.102 -3.168 -0.904
24 H SER 6 H SER 6 17.258 0.246 -1.615
25 HA SER 6 HA SER 6 18.121 2.017 0.582
26 HB2 SER 6 1HB SER 6 16.988 3.981 -0.315
27 HB3 SER 6 2HB SER 6 18.290 3.459 -1.392
28 HG SER 6 HG SER 6 16.391 3.953 -2.561
29 H GLY 7 H GLY 7 16.409 2.810 1.897
30 HA2 GLY 7 1HA GLY 7 14.292 0.876 2.368
31 HA3 GLY 7 2HA GLY 7 14.662 2.313 3.324
32 H LYS 8 H LYS 8 13.632 1.861 -0.096
33 HA LYS 8 HA LYS 8 11.900 4.155 -0.081
34 HB2 LYS 8 1HB LYS 8 13.050 3.184 -2.065
35 HB3 LYS 8 2HB LYS 8 11.932 1.824 -2.055
36 HG2 LYS 8 1HG LYS 8 10.842 4.654 -2.137
37 HG3 LYS 8 2HG LYS 8 11.590 3.985 -3.584
38 HD2 LYS 8 1HD LYS 8 9.984 2.183 -3.724
39 HD3 LYS 8 2HD LYS 8 9.307 2.575 -2.150
40 HE2 LYS 8 1HE LYS 8 7.783 3.438 -3.742
41 HE3 LYS 8 2HE LYS 8 8.601 4.816 -3.013
42 HZ1 LYS 8 3HZ LYS 8 9.286 3.638 -5.660
43 HZ2 LYS 8 1HZ LYS 8 10.017 4.944 -4.998
44 HZ3 LYS 8 2HZ LYS 8 8.450 5.019 -5.436
45 H ILE 9 H ILE 9 9.761 4.398 0.120
46 HA ILE 9 HA ILE 9 8.041 2.104 0.929
47 HB ILE 9 HB ILE 9 6.937 3.678 2.555
48 HG12 ILE 9 1HG1 ILE 9 9.516 5.283 2.527
49 HG13 ILE 9 2HG1 ILE 9 8.153 5.754 1.511
50 HG21 ILE 9 1HG2 ILE 9 8.518 3.192 4.349
51 HG22 ILE 9 2HG2 ILE 9 8.417 1.823 3.235
52 HG23 ILE 9 3HG2 ILE 9 9.818 2.913 3.173
53 HD11 ILE 9 3HD1 ILE 9 6.699 6.015 3.416
54 HD12 ILE 9 1HD1 ILE 9 7.973 5.447 4.531
55 HD13 ILE 9 2HD1 ILE 9 8.169 6.974 3.645
56 H PHE 10 H PHE 10 5.818 2.450 0.786
57 HA PHE 10 HA PHE 10 4.831 4.479 -1.189
58 HB2 PHE 10 1HB PHE 10 4.051 1.549 -0.846
59 HB3 PHE 10 2HB PHE 10 3.196 2.700 -1.849
60 HD1 PHE 10 2HD PHE 10 6.398 0.832 -1.480
61 HD2 PHE 10 1HD PHE 10 3.962 3.293 -4.049
62 HE1 PHE 10 2HE PHE 10 7.831 0.228 -3.420
63 HE2 PHE 10 1HE PHE 10 5.382 2.676 -5.987
64 HZ PHE 10 HZ PHE 10 7.294 1.121 -5.687
65 H THR 11 H THR 11 2.946 5.586 -0.506
66 HA THR 11 HA THR 11 1.877 4.881 2.215
67 HB THR 11 HB THR 11 1.982 7.666 1.032
68 HG1 THR 11 1HG THR 11 4.089 7.067 1.243
69 HG21 THR 11 3HG2 THR 11 0.419 7.413 2.872
70 HG22 THR 11 1HG2 THR 11 1.854 8.259 3.469
71 HG23 THR 11 2HG2 THR 11 1.636 6.535 3.844
72 H CYS 12 H CYS 12 -0.251 4.704 2.496
73 HA CYS 12 HA CYS 12 -2.131 4.741 0.304
74 HB2 CYS 12 1HB CYS 12 -2.213 3.190 2.216
75 HB3 CYS 12 2HB CYS 12 -2.455 4.557 3.322
76 H GLU 13 H GLU 13 -3.190 6.417 -0.513
77 HA GLU 13 HA GLU 13 -3.012 9.054 0.703
78 HB2 GLU 13 1HB GLU 13 -4.170 9.850 -1.254
79 HB3 GLU 13 2HB GLU 13 -2.901 8.723 -1.730
80 HG2 GLU 13 1HG GLU 13 -4.612 6.931 -2.015
81 HG3 GLU 13 2HG GLU 13 -5.877 8.082 -1.565
82 H TYR 14 H TYR 14 -5.075 6.481 1.327
83 HA TYR 14 HA TYR 14 -7.473 8.143 1.912
84 HB2 TYR 14 1HB TYR 14 -7.062 5.153 1.797
85 HB3 TYR 14 2HB TYR 14 -8.591 5.957 2.080
86 HD1 TYR 14 1HD TYR 14 -9.668 7.310 0.258
87 HD2 TYR 14 2HD TYR 14 -6.168 4.879 -0.453
88 HE1 TYR 14 1HE TYR 14 -10.121 7.371 -2.189
89 HE2 TYR 14 2HE TYR 14 -6.624 4.955 -2.902
90 HH TYR 14 HH TYR 14 -9.435 6.703 -4.270
91 H CYS 15 H CYS 15 -5.121 6.039 3.580
92 HA CYS 15 HA CYS 15 -6.181 7.030 6.179
93 HB2 CYS 15 1HB CYS 15 -6.048 4.888 7.205
94 HB3 CYS 15 2HB CYS 15 -7.135 4.836 5.822
95 H ASN 16 H ASN 16 -3.516 7.056 4.289
96 HA ASN 16 HA ASN 16 -1.349 7.535 4.563
97 HB2 ASN 16 1HB ASN 16 -2.219 8.616 7.253
98 HB3 ASN 16 2HB ASN 16 -0.691 8.954 6.455
99 HD21 ASN 16 1HD2 ASN 16 -4.149 9.633 6.397
100 HD22 ASN 16 2HD2 ASN 16 -4.029 10.897 5.181
101 H LYS 17 H LYS 17 -2.163 4.790 5.387
102 HA LYS 17 HA LYS 17 0.021 3.963 7.183
103 HB2 LYS 17 1HB LYS 17 -2.060 2.638 7.159
104 HB3 LYS 17 2HB LYS 17 -1.840 2.290 5.434
105 HG2 LYS 17 1HG LYS 17 0.256 1.129 5.895
106 HG3 LYS 17 2HG LYS 17 0.168 1.553 7.615
107 HD2 LYS 17 1HD LYS 17 -1.849 0.126 7.826
108 HD3 LYS 17 2HD LYS 17 -1.739 -0.291 6.112
109 HE2 LYS 17 1HE LYS 17 0.330 -0.878 8.286
110 HE3 LYS 17 2HE LYS 17 -0.744 -2.053 7.525
111 HZ1 LYS 17 3HZ LYS 17 0.417 -1.585 5.397
112 HZ2 LYS 17 1HZ LYS 17 1.438 -2.171 6.531
113 HZ3 LYS 17 2HZ LYS 17 1.467 -0.585 6.153
114 H VAL 18 H VAL 18 1.908 3.007 6.558
115 HA VAL 18 HA VAL 18 2.724 3.323 3.719
116 HB VAL 18 HB VAL 18 5.105 3.135 4.776
117 HG11 VAL 18 1HG1 VAL 18 5.132 5.594 5.057
118 HG12 VAL 18 2HG1 VAL 18 4.286 5.076 3.589
119 HG13 VAL 18 3HG1 VAL 18 3.362 5.612 5.014
120 HG21 VAL 18 3HG2 VAL 18 4.231 2.700 7.124
121 HG22 VAL 18 1HG2 VAL 18 5.320 4.098 6.978
122 HG23 VAL 18 2HG2 VAL 18 3.570 4.364 7.096
123 H PHE 19 H PHE 19 3.909 1.872 2.657
124 HA PHE 19 HA PHE 19 4.125 -0.936 3.635
125 HB2 PHE 19 1HB PHE 19 3.078 -0.034 0.918
126 HB3 PHE 19 2HB PHE 19 3.332 -1.692 1.451
127 HD1 PHE 19 2HD PHE 19 1.291 1.385 2.087
128 HD2 PHE 19 1HD PHE 19 1.617 -2.882 2.607
129 HE1 PHE 19 2HE PHE 19 -0.968 1.338 3.096
130 HE2 PHE 19 1HE PHE 19 -0.686 -2.942 3.537
131 HZ PHE 19 HZ PHE 19 -1.951 -0.822 3.843
132 H LYS 20 H LYS 20 5.565 -2.236 2.286
133 HA LYS 20 HA LYS 20 8.029 -0.748 1.648
134 HB2 LYS 20 1HB LYS 20 7.449 -3.709 1.958
135 HB3 LYS 20 2HB LYS 20 9.048 -2.986 1.678
136 HG2 LYS 20 1HG LYS 20 8.717 -1.575 3.753
137 HG3 LYS 20 2HG LYS 20 7.192 -2.425 4.039
138 HD2 LYS 20 1HD LYS 20 8.885 -3.368 5.438
139 HD3 LYS 20 2HD LYS 20 8.418 -4.566 4.213
140 HE2 LYS 20 1HE LYS 20 10.456 -4.022 2.904
141 HE3 LYS 20 2HE LYS 20 10.891 -2.774 4.078
142 HZ1 LYS 20 3HZ LYS 20 10.696 -5.681 4.677
143 HZ2 LYS 20 1HZ LYS 20 11.106 -4.527 5.759
144 HZ3 LYS 20 2HZ LYS 20 12.087 -4.847 4.497
145 H PHE 21 H PHE 21 5.563 -2.403 -0.172
146 HA PHE 21 HA PHE 21 7.108 -2.074 -2.697
147 HB2 PHE 21 1HB PHE 21 5.401 -4.480 -1.979
148 HB3 PHE 21 2HB PHE 21 6.364 -4.250 -3.424
149 HD1 PHE 21 2HD PHE 21 8.958 -4.010 -3.120
150 HD2 PHE 21 1HD PHE 21 6.315 -5.588 -0.099
151 HE1 PHE 21 2HE PHE 21 10.891 -5.089 -1.989
152 HE2 PHE 21 1HE PHE 21 8.250 -6.663 1.031
153 HZ PHE 21 HZ PHE 21 10.540 -6.413 0.088
154 H LYS 22 H LYS 22 5.846 -1.841 -4.593
155 HA LYS 22 HA LYS 22 3.582 -0.165 -4.345
156 HB2 LYS 22 1HB LYS 22 5.167 -0.272 -6.294
157 HB3 LYS 22 2HB LYS 22 4.439 -1.808 -6.776
158 HG2 LYS 22 1HG LYS 22 2.237 -0.685 -6.978
159 HG3 LYS 22 2HG LYS 22 2.978 0.862 -6.513
160 HD2 LYS 22 1HD LYS 22 4.490 0.712 -8.501
161 HD3 LYS 22 2HD LYS 22 3.679 -0.795 -8.984
162 HE2 LYS 22 1HE LYS 22 1.513 0.436 -9.120
163 HE3 LYS 22 2HE LYS 22 2.340 1.930 -8.653
164 HZ1 LYS 22 3HZ LYS 22 2.086 1.775 -11.064
165 HZ2 LYS 22 1HZ LYS 22 2.910 0.368 -11.120
166 HZ3 LYS 22 2HZ LYS 22 3.672 1.749 -10.688
167 H HIS 23 H HIS 23 3.669 -3.607 -5.321
168 HA HIS 23 HA HIS 23 0.868 -3.891 -5.675
169 HB2 HIS 23 1HB HIS 23 1.349 -6.328 -5.605
170 HB3 HIS 23 2HB HIS 23 2.391 -5.424 -6.692
171 HD1 HIS 23 1HD HIS 23 4.967 -5.782 -6.350
172 HD2 HIS 23 2HD HIS 23 2.560 -7.088 -3.151
173 HE1 HIS 23 1HE HIS 23 6.521 -6.983 -4.728
174 H SER 24 H SER 24 2.736 -3.905 -2.743
175 HA SER 24 HA SER 24 0.811 -5.283 -1.046
176 HB2 SER 24 1HB SER 24 3.032 -3.314 -0.368
177 HB3 SER 24 2HB SER 24 2.081 -4.222 0.797
178 HG SER 24 HG SER 24 2.922 -6.151 -0.068
179 H LEU 25 H LEU 25 1.531 -1.826 -1.695
180 HA LEU 25 HA LEU 25 -0.656 -0.806 -0.102
181 HB2 LEU 25 1HB LEU 25 1.212 0.637 -0.636
182 HB3 LEU 25 2HB LEU 25 1.017 0.352 -2.368
183 HG LEU 25 HG LEU 25 -1.160 1.535 -2.351
184 HD11 LEU 25 1HD1 LEU 25 -1.921 2.777 -0.433
185 HD12 LEU 25 2HD1 LEU 25 -0.533 2.246 0.545
186 HD13 LEU 25 3HD1 LEU 25 -1.791 1.096 0.048
187 HD21 LEU 25 3HD2 LEU 25 0.923 2.750 -2.812
188 HD22 LEU 25 1HD2 LEU 25 1.062 3.153 -1.080
189 HD23 LEU 25 2HD2 LEU 25 -0.298 3.776 -2.037
190 H GLN 26 H GLN 26 -0.266 -1.610 -3.550
191 HA GLN 26 HA GLN 26 -2.762 -0.534 -4.439
192 HB2 GLN 26 1HB GLN 26 -0.936 -2.656 -5.585
193 HB3 GLN 26 2HB GLN 26 -2.408 -2.173 -6.410
194 HG2 GLN 26 1HG GLN 26 -0.225 -0.199 -5.601
195 HG3 GLN 26 2HG GLN 26 -0.300 -0.984 -7.174
196 HE21 GLN 26 1HE2 GLN 26 -0.459 1.928 -6.548
197 HE22 GLN 26 2HE2 GLN 26 -1.999 2.427 -7.232
198 H ALA 27 H ALA 27 -2.049 -3.758 -3.155
199 HA ALA 27 HA ALA 27 -4.746 -4.801 -3.503
200 HB1 ALA 27 1HB ALA 27 -2.453 -5.567 -1.650
201 HB2 ALA 27 2HB ALA 27 -3.902 -6.551 -1.967
202 HB3 ALA 27 3HB ALA 27 -2.742 -6.224 -3.282
203 H HIS 28 H HIS 28 -3.074 -3.021 -0.857
204 HA HIS 28 HA HIS 28 -5.196 -3.282 1.073
205 HB2 HIS 28 1HB HIS 28 -3.064 -2.690 1.871
206 HB3 HIS 28 2HB HIS 28 -2.857 -1.395 0.709
207 HD1 HIS 28 1HD HIS 28 -4.750 -2.095 3.983
208 HD2 HIS 28 2HD HIS 28 -3.792 0.994 1.296
209 HE1 HIS 28 1HE HIS 28 -5.397 0.064 5.151
210 H LEU 29 H LEU 29 -4.740 -1.016 -1.655
211 HA LEU 29 HA LEU 29 -6.768 0.850 -1.027
212 HB2 LEU 29 1HB LEU 29 -6.207 -0.225 -3.811
213 HB3 LEU 29 2HB LEU 29 -6.924 1.327 -3.388
214 HG LEU 29 HG LEU 29 -4.071 0.442 -2.945
215 HD11 LEU 29 1HD1 LEU 29 -4.669 1.050 -5.227
216 HD12 LEU 29 2HD1 LEU 29 -3.519 2.198 -4.518
217 HD13 LEU 29 3HD1 LEU 29 -5.240 2.643 -4.658
218 HD21 LEU 29 3HD2 LEU 29 -3.672 2.821 -2.181
219 HD22 LEU 29 1HD2 LEU 29 -4.631 1.874 -1.042
220 HD23 LEU 29 2HD2 LEU 29 -5.435 3.040 -2.112
221 H ARG 30 H ARG 30 -7.184 -2.466 -2.036
222 HA ARG 30 HA ARG 30 -9.835 -2.370 -3.067
223 HB2 ARG 30 1HB ARG 30 -8.461 -4.660 -1.656
224 HB3 ARG 30 2HB ARG 30 -9.924 -4.734 -2.649
225 HG2 ARG 30 1HG ARG 30 -8.671 -3.913 -4.627
226 HG3 ARG 30 2HG ARG 30 -7.200 -3.802 -3.672
227 HD2 ARG 30 1HD ARG 30 -7.149 -5.831 -4.957
228 HD3 ARG 30 2HD ARG 30 -7.236 -6.187 -3.229
229 HE ARG 30 HE ARG 30 -9.248 -7.267 -3.547
230 HH11 ARG 30 2HH1 ARG 30 -8.754 -5.365 -6.500
231 HH12 ARG 30 1HH1 ARG 30 -10.210 -6.077 -7.207
232 HH21 ARG 30 2HH2 ARG 30 -11.045 -8.071 -4.667
233 HH22 ARG 30 1HH2 ARG 30 -11.340 -7.442 -6.292
234 H ILE 31 H ILE 31 -8.863 -1.923 0.229
235 HA ILE 31 HA ILE 31 -11.564 -2.492 1.284
236 HB ILE 31 HB ILE 31 -10.801 -2.074 3.388
237 HG12 ILE 31 1HG1 ILE 31 -8.427 -0.535 2.308
238 HG13 ILE 31 2HG1 ILE 31 -9.793 0.086 3.219
239 HG21 ILE 31 1HG2 ILE 31 -9.850 -4.123 2.264
240 HG22 ILE 31 2HG2 ILE 31 -8.316 -3.245 2.072
241 HG23 ILE 31 3HG2 ILE 31 -8.960 -3.587 3.689
242 HD11 ILE 31 3HD1 ILE 31 -9.092 -1.290 5.186
243 HD12 ILE 31 1HD1 ILE 31 -7.614 -1.729 4.291
244 HD13 ILE 31 2HD1 ILE 31 -7.935 -0.036 4.703
245 H HIS 32 H HIS 32 -9.822 0.202 0.005
246 HA HIS 32 HA HIS 32 -11.597 2.277 1.108
247 HB2 HIS 32 1HB HIS 32 -9.070 2.320 -0.593
248 HB3 HIS 32 2HB HIS 32 -9.924 3.744 -0.075
249 HD1 HIS 32 1HD HIS 32 -10.282 3.540 2.927
250 HD2 HIS 32 2HD HIS 32 -6.967 2.005 0.856
251 HE1 HIS 32 1HE HIS 32 -8.394 3.440 4.622
252 H THR 33 H THR 33 -11.078 0.586 -1.951
253 HA THR 33 HA THR 33 -13.297 2.167 -3.180
254 HB THR 33 HB THR 33 -11.113 2.873 -4.089
255 HG1 THR 33 1HG THR 33 -11.833 2.764 -6.198
256 HG21 THR 33 3HG2 THR 33 -9.859 0.762 -4.080
257 HG22 THR 33 1HG2 THR 33 -9.945 1.429 -5.709
258 HG23 THR 33 2HG2 THR 33 -10.977 0.052 -5.260
259 H ASN 34 H ASN 34 -14.449 1.089 -4.908
260 HA ASN 34 HA ASN 34 -15.186 -1.602 -3.965
261 HB2 ASN 34 1HB ASN 34 -16.512 0.361 -5.877
262 HB3 ASN 34 2HB ASN 34 -17.182 -1.212 -5.461
263 HD21 ASN 34 1HD2 ASN 34 -18.734 0.967 -5.006
264 HD22 ASN 34 2HD2 ASN 34 -18.846 1.245 -3.273
265 H GLU 35 H GLU 35 -15.624 -3.378 -5.310
266 HA GLU 35 HA GLU 35 -13.865 -3.681 -7.676
267 HB2 GLU 35 1HB GLU 35 -13.780 -5.344 -5.839
268 HB3 GLU 35 2HB GLU 35 -15.487 -5.703 -6.082
269 HG2 GLU 35 1HG GLU 35 -14.090 -7.430 -7.055
270 HG3 GLU 35 2HG GLU 35 -15.004 -6.626 -8.317
271 H LYS 36 H LYS 36 -14.670 -4.587 -9.658
272 HA LYS 36 HA LYS 36 -17.592 -4.301 -10.204
273 HB2 LYS 36 1HB LYS 36 -16.447 -2.204 -10.882
274 HB3 LYS 36 2HB LYS 36 -15.396 -3.134 -11.959
275 HG2 LYS 36 1HG LYS 36 -17.387 -3.890 -13.246
276 HG3 LYS 36 2HG LYS 36 -18.441 -2.995 -12.134
277 HD2 LYS 36 1HD LYS 36 -17.369 -0.863 -12.830
278 HD3 LYS 36 2HD LYS 36 -16.257 -1.759 -13.868
279 HE2 LYS 36 1HE LYS 36 -17.955 -0.856 -15.281
280 HE3 LYS 36 2HE LYS 36 -18.188 -2.603 -15.206
281 HZ1 LYS 36 3HZ LYS 36 -19.990 -2.222 -13.604
282 HZ2 LYS 36 1HZ LYS 36 -20.284 -1.385 -14.970
283 HZ3 LYS 36 2HZ LYS 36 -19.746 -0.605 -13.644
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 18.567 6.147 10.825
2 H2 GLY 1 2H GLY 1 18.609 4.967 9.687
3 H3 GLY 1 3H GLY 1 19.674 4.939 10.936
4 HA2 GLY 1 1HA GLY 1 17.868 4.603 12.513
5 HA3 GLY 1 2HA GLY 1 16.753 4.590 11.134
6 H SER 2 H SER 2 16.480 2.441 12.555
7 HA SER 2 HA SER 2 18.370 0.300 12.007
8 HB2 SER 2 1HB SER 2 16.690 -1.086 13.200
9 HB3 SER 2 2HB SER 2 17.185 0.358 14.099
10 HG SER 2 HG SER 2 14.900 0.058 14.119
11 H SER 3 H SER 3 15.457 1.429 10.411
12 HA SER 3 HA SER 3 15.871 -0.452 8.194
13 HB2 SER 3 1HB SER 3 14.370 -1.659 9.815
14 HB3 SER 3 2HB SER 3 13.184 -0.354 9.625
15 HG SER 3 HG SER 3 12.847 -2.192 8.220
16 H GLY 4 H GLY 4 14.710 0.152 6.291
17 HA2 GLY 4 1HA GLY 4 13.629 1.497 4.781
18 HA3 GLY 4 2HA GLY 4 12.975 2.432 6.123
19 H SER 5 H SER 5 16.051 2.946 6.846
20 HA SER 5 HA SER 5 16.247 5.536 5.755
21 HB2 SER 5 1HB SER 5 18.502 3.761 6.766
22 HB3 SER 5 2HB SER 5 18.562 5.522 6.567
23 HG SER 5 HG SER 5 16.735 5.604 8.057
24 H SER 6 H SER 6 16.916 6.358 3.897
25 HA SER 6 HA SER 6 17.370 6.520 1.707
26 HB2 SER 6 1HB SER 6 19.660 4.614 2.258
27 HB3 SER 6 2HB SER 6 19.499 5.703 0.870
28 HG SER 6 HG SER 6 20.804 6.607 2.531
29 H GLY 7 H GLY 7 15.636 4.129 2.594
30 HA2 GLY 7 1HA GLY 7 15.740 2.366 0.203
31 HA3 GLY 7 2HA GLY 7 14.747 2.176 1.644
32 H LYS 8 H LYS 8 12.994 1.764 0.249
33 HA LYS 8 HA LYS 8 11.571 4.222 -0.656
34 HB2 LYS 8 1HB LYS 8 12.361 3.033 -2.654
35 HB3 LYS 8 2HB LYS 8 11.664 1.527 -2.068
36 HG2 LYS 8 1HG LYS 8 10.281 2.434 -3.811
37 HG3 LYS 8 2HG LYS 8 9.386 2.460 -2.297
38 HD2 LYS 8 1HD LYS 8 9.897 4.904 -2.059
39 HD3 LYS 8 2HD LYS 8 10.754 4.869 -3.601
40 HE2 LYS 8 1HE LYS 8 7.826 4.065 -3.245
41 HE3 LYS 8 2HE LYS 8 8.335 5.715 -3.604
42 HZ1 LYS 8 3HZ LYS 8 8.887 3.375 -5.347
43 HZ2 LYS 8 1HZ LYS 8 9.343 4.915 -5.662
44 HZ3 LYS 8 2HZ LYS 8 7.761 4.523 -5.627
45 H ILE 9 H ILE 9 9.527 4.399 -0.071
46 HA ILE 9 HA ILE 9 8.012 2.115 1.057
47 HB ILE 9 HB ILE 9 6.933 3.629 2.699
48 HG12 ILE 9 1HG1 ILE 9 9.272 5.538 2.255
49 HG13 ILE 9 2HG1 ILE 9 7.682 5.791 1.533
50 HG21 ILE 9 1HG2 ILE 9 8.663 3.399 4.384
51 HG22 ILE 9 2HG2 ILE 9 8.719 2.005 3.301
52 HG23 ILE 9 3HG2 ILE 9 9.929 3.297 3.142
53 HD11 ILE 9 3HD1 ILE 9 6.636 5.849 3.752
54 HD12 ILE 9 1HD1 ILE 9 8.233 5.648 4.520
55 HD13 ILE 9 2HD1 ILE 9 7.878 7.098 3.563
56 H PHE 10 H PHE 10 5.740 2.337 0.906
57 HA PHE 10 HA PHE 10 4.715 4.278 -1.143
58 HB2 PHE 10 1HB PHE 10 4.162 1.305 -0.799
59 HB3 PHE 10 2HB PHE 10 3.157 2.370 -1.757
60 HD1 PHE 10 2HD PHE 10 6.565 0.876 -1.529
61 HD2 PHE 10 1HD PHE 10 3.776 3.104 -3.949
62 HE1 PHE 10 2HE PHE 10 7.980 0.473 -3.532
63 HE2 PHE 10 1HE PHE 10 5.183 2.691 -5.950
64 HZ PHE 10 HZ PHE 10 7.254 1.337 -5.759
65 H THR 11 H THR 11 3.052 5.506 -0.404
66 HA THR 11 HA THR 11 1.815 4.797 2.225
67 HB THR 11 HB THR 11 2.025 7.564 1.015
68 HG1 THR 11 1HG THR 11 3.820 7.859 2.283
69 HG21 THR 11 3HG2 THR 11 1.869 8.180 3.479
70 HG22 THR 11 1HG2 THR 11 1.494 6.477 3.820
71 HG23 THR 11 2HG2 THR 11 0.409 7.456 2.797
72 H CYS 12 H CYS 12 -0.326 4.661 2.470
73 HA CYS 12 HA CYS 12 -2.201 4.777 0.304
74 HB2 CYS 12 1HB CYS 12 -2.329 3.318 2.291
75 HB3 CYS 12 2HB CYS 12 -2.526 4.747 3.323
76 H GLU 13 H GLU 13 -3.337 6.415 -0.507
77 HA GLU 13 HA GLU 13 -3.005 9.110 0.603
78 HB2 GLU 13 1HB GLU 13 -4.165 9.890 -1.355
79 HB3 GLU 13 2HB GLU 13 -2.924 8.727 -1.822
80 HG2 GLU 13 1HG GLU 13 -4.680 6.968 -2.051
81 HG3 GLU 13 2HG GLU 13 -5.913 8.161 -1.623
82 H TYR 14 H TYR 14 -5.125 6.571 1.258
83 HA TYR 14 HA TYR 14 -7.467 8.300 1.871
84 HB2 TYR 14 1HB TYR 14 -7.173 5.292 1.738
85 HB3 TYR 14 2HB TYR 14 -8.661 6.164 2.023
86 HD1 TYR 14 1HD TYR 14 -9.655 7.586 0.189
87 HD2 TYR 14 2HD TYR 14 -6.297 4.957 -0.498
88 HE1 TYR 14 1HE TYR 14 -10.100 7.647 -2.265
89 HE2 TYR 14 2HE TYR 14 -6.749 5.020 -2.941
90 HH TYR 14 HH TYR 14 -8.089 5.834 -4.613
91 H CYS 15 H CYS 15 -5.178 6.108 3.510
92 HA CYS 15 HA CYS 15 -6.131 7.181 6.118
93 HB2 CYS 15 1HB CYS 15 -6.133 5.053 7.172
94 HB3 CYS 15 2HB CYS 15 -7.226 5.040 5.792
95 H ASN 16 H ASN 16 -3.509 6.973 4.175
96 HA ASN 16 HA ASN 16 -1.302 7.217 4.373
97 HB2 ASN 16 1HB ASN 16 -1.820 8.504 7.041
98 HB3 ASN 16 2HB ASN 16 -0.482 8.799 5.928
99 HD21 ASN 16 1HD2 ASN 16 -1.948 9.030 3.434
100 HD22 ASN 16 2HD2 ASN 16 -2.865 10.519 3.599
101 H LYS 17 H LYS 17 -2.263 4.645 5.306
102 HA LYS 17 HA LYS 17 -0.183 3.660 7.113
103 HB2 LYS 17 1HB LYS 17 -2.419 2.558 6.841
104 HB3 LYS 17 2HB LYS 17 -1.990 2.129 5.183
105 HG2 LYS 17 1HG LYS 17 -0.174 0.706 5.952
106 HG3 LYS 17 2HG LYS 17 -0.341 1.299 7.615
107 HD2 LYS 17 1HD LYS 17 -2.548 0.262 7.815
108 HD3 LYS 17 2HD LYS 17 -2.488 -0.273 6.122
109 HE2 LYS 17 1HE LYS 17 -0.488 -1.647 6.612
110 HE3 LYS 17 2HE LYS 17 -0.484 -1.075 8.284
111 HZ1 LYS 17 3HZ LYS 17 -2.657 -2.689 7.051
112 HZ2 LYS 17 1HZ LYS 17 -2.650 -2.150 8.595
113 HZ3 LYS 17 2HZ LYS 17 -1.546 -3.246 8.108
114 H VAL 18 H VAL 18 1.687 2.596 6.517
115 HA VAL 18 HA VAL 18 2.636 3.065 3.734
116 HB VAL 18 HB VAL 18 4.960 3.102 4.904
117 HG11 VAL 18 1HG1 VAL 18 3.016 5.425 5.065
118 HG12 VAL 18 2HG1 VAL 18 4.782 5.549 5.121
119 HG13 VAL 18 3HG1 VAL 18 3.996 4.941 3.655
120 HG21 VAL 18 3HG2 VAL 18 3.254 4.214 7.159
121 HG22 VAL 18 1HG2 VAL 18 4.071 2.621 7.224
122 HG23 VAL 18 2HG2 VAL 18 5.023 4.113 7.081
123 H PHE 19 H PHE 19 3.805 1.678 2.662
124 HA PHE 19 HA PHE 19 4.216 -1.084 3.727
125 HB2 PHE 19 1HB PHE 19 3.178 -0.353 0.976
126 HB3 PHE 19 2HB PHE 19 3.371 -1.958 1.634
127 HD1 PHE 19 2HD PHE 19 1.307 1.133 1.848
128 HD2 PHE 19 1HD PHE 19 1.719 -2.986 3.044
129 HE1 PHE 19 2HE PHE 19 -0.965 1.202 2.866
130 HE2 PHE 19 1HE PHE 19 -0.573 -2.936 4.000
131 HZ PHE 19 HZ PHE 19 -1.897 -0.835 3.936
132 H LYS 20 H LYS 20 5.622 -2.383 2.359
133 HA LYS 20 HA LYS 20 8.140 -0.999 1.812
134 HB2 LYS 20 1HB LYS 20 7.256 -3.917 1.691
135 HB3 LYS 20 2HB LYS 20 8.927 -3.387 1.506
136 HG2 LYS 20 1HG LYS 20 7.232 -2.834 3.985
137 HG3 LYS 20 2HG LYS 20 8.274 -4.253 3.787
138 HD2 LYS 20 1HD LYS 20 10.216 -2.707 3.355
139 HD3 LYS 20 2HD LYS 20 9.193 -1.340 3.810
140 HE2 LYS 20 1HE LYS 20 9.851 -3.743 5.580
141 HE3 LYS 20 2HE LYS 20 10.685 -2.189 5.645
142 HZ1 LYS 20 3HZ LYS 20 7.803 -2.596 6.245
143 HZ2 LYS 20 1HZ LYS 20 8.565 -1.147 6.268
144 HZ3 LYS 20 2HZ LYS 20 8.973 -2.305 7.339
145 H PHE 21 H PHE 21 5.645 -2.452 -0.180
146 HA PHE 21 HA PHE 21 7.178 -1.844 -2.666
147 HB2 PHE 21 1HB PHE 21 5.754 -4.444 -1.972
148 HB3 PHE 21 2HB PHE 21 6.419 -4.042 -3.545
149 HD1 PHE 21 1HD PHE 21 8.908 -3.765 -3.851
150 HD2 PHE 21 2HD PHE 21 7.194 -5.252 -0.183
151 HE1 PHE 21 1HE PHE 21 11.122 -4.668 -3.178
152 HE2 PHE 21 2HE PHE 21 9.410 -6.147 0.489
153 HZ PHE 21 HZ PHE 21 11.376 -5.860 -1.009
154 H LYS 22 H LYS 22 5.912 -1.683 -4.576
155 HA LYS 22 HA LYS 22 3.607 -0.089 -4.338
156 HB2 LYS 22 1HB LYS 22 5.176 -0.203 -6.303
157 HB3 LYS 22 2HB LYS 22 4.479 -1.764 -6.743
158 HG2 LYS 22 1HG LYS 22 2.251 -0.694 -6.950
159 HG3 LYS 22 2HG LYS 22 2.963 0.880 -6.536
160 HD2 LYS 22 1HD LYS 22 4.451 0.715 -8.535
161 HD3 LYS 22 2HD LYS 22 3.687 -0.832 -8.961
162 HE2 LYS 22 1HE LYS 22 1.481 0.318 -9.122
163 HE3 LYS 22 2HE LYS 22 2.257 1.855 -8.710
164 HZ1 LYS 22 3HZ LYS 22 3.585 1.653 -10.747
165 HZ2 LYS 22 1HZ LYS 22 1.996 1.612 -11.113
166 HZ3 LYS 22 2HZ LYS 22 2.868 0.234 -11.128
167 H HIS 23 H HIS 23 3.751 -3.549 -5.245
168 HA HIS 23 HA HIS 23 0.951 -3.872 -5.586
169 HB2 HIS 23 1HB HIS 23 1.461 -6.302 -5.485
170 HB3 HIS 23 2HB HIS 23 2.490 -5.403 -6.587
171 HD1 HIS 23 1HD HIS 23 5.070 -5.732 -6.249
172 HD2 HIS 23 2HD HIS 23 2.687 -7.009 -3.020
173 HE1 HIS 23 1HE HIS 23 6.643 -6.888 -4.611
174 H SER 24 H SER 24 2.826 -3.825 -2.655
175 HA SER 24 HA SER 24 0.910 -5.190 -0.938
176 HB2 SER 24 1HB SER 24 3.087 -3.174 -0.282
177 HB3 SER 24 2HB SER 24 2.156 -4.104 0.885
178 HG SER 24 HG SER 24 3.070 -6.009 0.027
179 H LEU 25 H LEU 25 1.607 -1.735 -1.635
180 HA LEU 25 HA LEU 25 -0.580 -0.697 -0.071
181 HB2 LEU 25 1HB LEU 25 1.277 0.742 -0.667
182 HB3 LEU 25 2HB LEU 25 1.063 0.410 -2.386
183 HG LEU 25 HG LEU 25 -1.124 1.576 -2.375
184 HD11 LEU 25 1HD1 LEU 25 -1.742 1.196 0.027
185 HD12 LEU 25 2HD1 LEU 25 -1.854 2.872 -0.474
186 HD13 LEU 25 3HD1 LEU 25 -0.465 2.338 0.502
187 HD21 LEU 25 3HD2 LEU 25 1.090 3.255 -1.176
188 HD22 LEU 25 1HD2 LEU 25 -0.284 3.832 -2.138
189 HD23 LEU 25 2HD2 LEU 25 0.947 2.802 -2.892
190 H GLN 26 H GLN 26 -0.209 -1.575 -3.504
191 HA GLN 26 HA GLN 26 -2.720 -0.522 -4.394
192 HB2 GLN 26 1HB GLN 26 -0.884 -2.649 -5.520
193 HB3 GLN 26 2HB GLN 26 -2.364 -2.186 -6.344
194 HG2 GLN 26 1HG GLN 26 -0.188 -0.188 -5.577
195 HG3 GLN 26 2HG GLN 26 -0.267 -0.998 -7.137
196 HE21 GLN 26 1HE2 GLN 26 -0.440 1.923 -6.550
197 HE22 GLN 26 2HE2 GLN 26 -1.985 2.402 -7.236
198 H ALA 27 H ALA 27 -1.949 -3.699 -3.067
199 HA ALA 27 HA ALA 27 -4.593 -4.852 -3.377
200 HB1 ALA 27 1HB ALA 27 -2.266 -5.416 -1.502
201 HB2 ALA 27 2HB ALA 27 -3.653 -6.501 -1.772
202 HB3 ALA 27 3HB ALA 27 -2.519 -6.154 -3.105
203 H HIS 28 H HIS 28 -3.016 -2.909 -0.803
204 HA HIS 28 HA HIS 28 -5.140 -3.201 1.140
205 HB2 HIS 28 1HB HIS 28 -3.026 -2.567 1.952
206 HB3 HIS 28 2HB HIS 28 -2.809 -1.302 0.760
207 HD1 HIS 28 1HD HIS 28 -4.770 -1.939 4.008
208 HD2 HIS 28 2HD HIS 28 -3.789 1.099 1.272
209 HE1 HIS 28 1HE HIS 28 -5.490 0.235 5.103
210 H LEU 29 H LEU 29 -4.647 -0.957 -1.604
211 HA LEU 29 HA LEU 29 -6.652 0.929 -1.010
212 HB2 LEU 29 1HB LEU 29 -6.024 -0.162 -3.777
213 HB3 LEU 29 2HB LEU 29 -6.793 1.376 -3.398
214 HG LEU 29 HG LEU 29 -3.938 0.572 -2.819
215 HD11 LEU 29 1HD1 LEU 29 -4.459 1.133 -5.142
216 HD12 LEU 29 2HD1 LEU 29 -3.364 2.317 -4.402
217 HD13 LEU 29 3HD1 LEU 29 -5.086 2.720 -4.619
218 HD21 LEU 29 3HD2 LEU 29 -3.686 3.017 -2.100
219 HD22 LEU 29 1HD2 LEU 29 -4.615 2.025 -0.974
220 HD23 LEU 29 2HD2 LEU 29 -5.463 3.121 -2.082
221 H ARG 30 H ARG 30 -7.137 -2.368 -2.080
222 HA ARG 30 HA ARG 30 -9.760 -2.144 -3.140
223 HB2 ARG 30 1HB ARG 30 -8.622 -4.512 -1.629
224 HB3 ARG 30 2HB ARG 30 -9.960 -4.508 -2.792
225 HG2 ARG 30 1HG ARG 30 -8.449 -3.899 -4.625
226 HG3 ARG 30 2HG ARG 30 -7.073 -3.819 -3.528
227 HD2 ARG 30 1HD ARG 30 -8.735 -6.309 -4.063
228 HD3 ARG 30 2HD ARG 30 -7.164 -5.942 -4.802
229 HE ARG 30 HE ARG 30 -6.759 -5.748 -2.037
230 HH11 ARG 30 2HH1 ARG 30 -7.606 -8.346 -4.235
231 HH12 ARG 30 1HH1 ARG 30 -6.958 -9.571 -3.179
232 HH21 ARG 30 2HH2 ARG 30 -6.013 -7.350 -0.720
233 HH22 ARG 30 1HH2 ARG 30 -6.060 -9.010 -1.239
234 H ILE 31 H ILE 31 -8.803 -1.960 0.231
235 HA ILE 31 HA ILE 31 -11.513 -2.460 1.231
236 HB ILE 31 HB ILE 31 -10.774 -2.045 3.351
237 HG12 ILE 31 1HG1 ILE 31 -8.399 -0.479 2.303
238 HG13 ILE 31 2HG1 ILE 31 -9.788 0.136 3.184
239 HG21 ILE 31 1HG2 ILE 31 -8.264 -3.174 2.044
240 HG22 ILE 31 2HG2 ILE 31 -8.916 -3.535 3.653
241 HG23 ILE 31 3HG2 ILE 31 -9.789 -4.072 2.217
242 HD11 ILE 31 3HD1 ILE 31 -9.122 -1.237 5.167
243 HD12 ILE 31 1HD1 ILE 31 -7.619 -1.661 4.306
244 HD13 ILE 31 2HD1 ILE 31 -7.968 0.029 4.709
245 H HIS 32 H HIS 32 -9.751 0.278 0.028
246 HA HIS 32 HA HIS 32 -11.647 2.294 0.997
247 HB2 HIS 32 1HB HIS 32 -9.109 2.431 -0.682
248 HB3 HIS 32 2HB HIS 32 -10.024 3.815 -0.169
249 HD1 HIS 32 1HD HIS 32 -10.338 3.762 2.786
250 HD2 HIS 32 2HD HIS 32 -7.053 2.034 0.822
251 HE1 HIS 32 1HE HIS 32 -8.467 3.686 4.504
252 H THR 33 H THR 33 -10.951 0.528 -2.037
253 HA THR 33 HA THR 33 -12.754 2.164 -3.654
254 HB THR 33 HB THR 33 -12.550 0.464 -5.357
255 HG1 THR 33 1HG THR 33 -11.465 -1.416 -5.002
256 HG21 THR 33 3HG2 THR 33 -9.805 0.806 -4.095
257 HG22 THR 33 1HG2 THR 33 -10.620 2.044 -5.082
258 HG23 THR 33 2HG2 THR 33 -10.178 0.474 -5.790
259 H ASN 34 H ASN 34 -13.150 -0.756 -1.697
260 HA ASN 34 HA ASN 34 -15.641 -1.569 -2.821
261 HB2 ASN 34 1HB ASN 34 -14.086 -3.098 -1.709
262 HB3 ASN 34 2HB ASN 34 -14.297 -2.247 -0.175
263 HD21 ASN 34 1HD2 ASN 34 -16.094 -4.143 -2.655
264 HD22 ASN 34 2HD2 ASN 34 -17.292 -4.730 -1.513
265 H GLU 35 H GLU 35 -17.734 -1.437 -2.141
266 HA GLU 35 HA GLU 35 -18.497 0.187 0.218
267 HB2 GLU 35 1HB GLU 35 -19.597 0.614 -2.595
268 HB3 GLU 35 2HB GLU 35 -20.298 1.276 -1.117
269 HG2 GLU 35 1HG GLU 35 -18.157 2.495 -0.672
270 HG3 GLU 35 2HG GLU 35 -17.542 1.934 -2.231
271 H LYS 36 H LYS 36 -20.648 -0.217 0.927
272 HA LYS 36 HA LYS 36 -22.228 -1.594 1.754
273 HB2 LYS 36 1HB LYS 36 -23.173 -0.809 -0.431
274 HB3 LYS 36 2HB LYS 36 -22.731 -2.368 -1.134
275 HG2 LYS 36 1HG LYS 36 -24.182 -3.506 0.565
276 HG3 LYS 36 2HG LYS 36 -24.604 -1.925 1.243
277 HD2 LYS 36 1HD LYS 36 -25.575 -1.244 -0.931
278 HD3 LYS 36 2HD LYS 36 -25.172 -2.816 -1.627
279 HE2 LYS 36 1HE LYS 36 -27.016 -2.387 0.771
280 HE3 LYS 36 2HE LYS 36 -27.573 -2.539 -0.897
281 HZ1 LYS 36 3HZ LYS 36 -27.701 -4.664 0.239
282 HZ2 LYS 36 1HZ LYS 36 -26.111 -4.650 0.597
283 HZ3 LYS 36 2HZ LYS 36 -26.601 -4.774 -0.959
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 23.316 -7.442 11.596
2 H2 GLY 1 2H GLY 1 24.438 -6.821 12.612
3 H3 GLY 1 3H GLY 1 24.784 -6.993 11.019
4 HA2 GLY 1 1HA GLY 1 24.348 -4.681 11.521
5 HA3 GLY 1 2HA GLY 1 23.143 -5.353 10.407
6 H SER 2 H SER 2 22.606 -3.072 11.885
7 HA SER 2 HA SER 2 21.000 -3.721 14.252
8 HB2 SER 2 1HB SER 2 20.571 -1.329 14.328
9 HB3 SER 2 2HB SER 2 22.299 -1.645 14.122
10 HG SER 2 HG SER 2 21.589 -0.006 12.701
11 H SER 3 H SER 3 18.734 -2.806 14.389
12 HA SER 3 HA SER 3 17.042 -4.079 12.445
13 HB2 SER 3 1HB SER 3 16.289 -2.189 14.700
14 HB3 SER 3 2HB SER 3 15.214 -3.321 13.861
15 HG SER 3 HG SER 3 15.986 -4.173 15.852
16 H GLY 4 H GLY 4 18.437 -0.979 12.289
17 HA2 GLY 4 1HA GLY 4 16.253 0.531 11.127
18 HA3 GLY 4 2HA GLY 4 17.957 0.967 11.122
19 H SER 5 H SER 5 16.141 1.357 8.971
20 HA SER 5 HA SER 5 17.594 0.005 6.794
21 HB2 SER 5 1HB SER 5 15.566 -0.699 5.634
22 HB3 SER 5 2HB SER 5 15.697 -1.495 7.208
23 HG SER 5 HG SER 5 13.580 -0.713 6.836
24 H SER 6 H SER 6 17.239 0.955 4.702
25 HA SER 6 HA SER 6 16.398 3.824 4.749
26 HB2 SER 6 1HB SER 6 18.326 4.257 3.274
27 HB3 SER 6 2HB SER 6 18.806 3.615 4.852
28 HG SER 6 HG SER 6 19.910 2.579 3.113
29 H GLY 7 H GLY 7 15.237 1.087 3.552
30 HA2 GLY 7 1HA GLY 7 15.149 1.429 0.712
31 HA3 GLY 7 2HA GLY 7 14.094 0.394 1.666
32 H LYS 8 H LYS 8 13.435 1.947 -0.652
33 HA LYS 8 HA LYS 8 11.821 4.253 0.108
34 HB2 LYS 8 1HB LYS 8 13.023 3.932 -2.067
35 HB3 LYS 8 2HB LYS 8 11.887 2.664 -2.509
36 HG2 LYS 8 1HG LYS 8 10.908 5.447 -1.780
37 HG3 LYS 8 2HG LYS 8 11.623 5.144 -3.363
38 HD2 LYS 8 1HD LYS 8 9.929 3.457 -3.895
39 HD3 LYS 8 2HD LYS 8 9.212 3.631 -2.292
40 HE2 LYS 8 1HE LYS 8 9.039 6.178 -2.897
41 HE3 LYS 8 2HE LYS 8 9.278 5.640 -4.566
42 HZ1 LYS 8 3HZ LYS 8 7.307 4.167 -4.220
43 HZ2 LYS 8 1HZ LYS 8 6.923 5.749 -4.023
44 HZ3 LYS 8 2HZ LYS 8 7.124 4.788 -2.710
45 H ILE 9 H ILE 9 9.676 4.426 0.389
46 HA ILE 9 HA ILE 9 8.046 1.944 0.645
47 HB ILE 9 HB ILE 9 6.935 3.123 2.577
48 HG12 ILE 9 1HG1 ILE 9 8.327 4.703 3.882
49 HG13 ILE 9 2HG1 ILE 9 9.434 4.890 2.545
50 HG21 ILE 9 1HG2 ILE 9 8.507 1.231 2.795
51 HG22 ILE 9 2HG2 ILE 9 9.868 2.369 2.900
52 HG23 ILE 9 3HG2 ILE 9 8.617 2.348 4.159
53 HD11 ILE 9 3HD1 ILE 9 7.742 6.026 1.220
54 HD12 ILE 9 1HD1 ILE 9 6.467 5.593 2.389
55 HD13 ILE 9 2HD1 ILE 9 7.745 6.743 2.833
56 H PHE 10 H PHE 10 5.758 2.287 0.706
57 HA PHE 10 HA PHE 10 4.764 4.419 -1.161
58 HB2 PHE 10 1HB PHE 10 4.177 1.438 -1.054
59 HB3 PHE 10 2HB PHE 10 3.119 2.579 -1.852
60 HD1 PHE 10 2HD PHE 10 6.477 1.010 -1.997
61 HD2 PHE 10 1HD PHE 10 3.672 3.647 -3.940
62 HE1 PHE 10 2HE PHE 10 7.776 0.842 -4.105
63 HE2 PHE 10 1HE PHE 10 4.976 3.494 -6.038
64 HZ PHE 10 HZ PHE 10 6.982 2.021 -6.161
65 H THR 11 H THR 11 2.973 5.528 -0.509
66 HA THR 11 HA THR 11 1.833 4.832 2.172
67 HB THR 11 HB THR 11 1.931 7.591 0.931
68 HG1 THR 11 1HG THR 11 3.775 7.940 2.130
69 HG21 THR 11 3HG2 THR 11 0.399 7.407 2.793
70 HG22 THR 11 1HG2 THR 11 1.850 8.228 3.378
71 HG23 THR 11 2HG2 THR 11 1.600 6.512 3.767
72 H CYS 12 H CYS 12 -0.290 4.679 2.483
73 HA CYS 12 HA CYS 12 -2.210 4.727 0.342
74 HB2 CYS 12 1HB CYS 12 -2.289 3.261 2.318
75 HB3 CYS 12 2HB CYS 12 -2.505 4.680 3.363
76 H GLU 13 H GLU 13 -3.283 6.375 -0.516
77 HA GLU 13 HA GLU 13 -3.050 9.054 0.626
78 HB2 GLU 13 1HB GLU 13 -4.198 9.823 -1.345
79 HB3 GLU 13 2HB GLU 13 -2.939 8.677 -1.803
80 HG2 GLU 13 1HG GLU 13 -4.671 6.897 -2.050
81 HG3 GLU 13 2HG GLU 13 -5.922 8.074 -1.631
82 H TYR 14 H TYR 14 -5.112 6.489 1.293
83 HA TYR 14 HA TYR 14 -7.502 8.167 1.882
84 HB2 TYR 14 1HB TYR 14 -7.119 5.171 1.714
85 HB3 TYR 14 2HB TYR 14 -8.629 5.984 2.040
86 HD1 TYR 14 1HD TYR 14 -9.686 7.432 0.249
87 HD2 TYR 14 2HD TYR 14 -6.289 4.882 -0.545
88 HE1 TYR 14 1HE TYR 14 -10.171 7.535 -2.196
89 HE2 TYR 14 2HE TYR 14 -6.777 4.997 -2.979
90 HH TYR 14 HH TYR 14 -8.157 5.818 -4.614
91 H CYS 15 H CYS 15 -5.132 6.101 3.533
92 HA CYS 15 HA CYS 15 -6.159 7.094 6.136
93 HB2 CYS 15 1HB CYS 15 -6.137 4.973 7.193
94 HB3 CYS 15 2HB CYS 15 -7.210 4.931 5.801
95 H ASN 16 H ASN 16 -3.519 6.921 4.207
96 HA ASN 16 HA ASN 16 -1.356 7.272 4.422
97 HB2 ASN 16 1HB ASN 16 -2.655 9.135 5.923
98 HB3 ASN 16 2HB ASN 16 -1.473 8.547 7.089
99 HD21 ASN 16 1HD2 ASN 16 -1.653 9.362 3.578
100 HD22 ASN 16 2HD2 ASN 16 -0.186 10.338 3.586
101 H LYS 17 H LYS 17 -2.163 4.686 5.376
102 HA LYS 17 HA LYS 17 -0.005 3.813 7.162
103 HB2 LYS 17 1HB LYS 17 -2.174 2.611 7.018
104 HB3 LYS 17 2HB LYS 17 -1.870 2.246 5.317
105 HG2 LYS 17 1HG LYS 17 0.046 0.859 5.890
106 HG3 LYS 17 2HG LYS 17 -0.040 1.361 7.590
107 HD2 LYS 17 1HD LYS 17 -2.171 0.208 7.885
108 HD3 LYS 17 2HD LYS 17 -2.288 -0.110 6.154
109 HE2 LYS 17 1HE LYS 17 -1.603 -2.147 7.205
110 HE3 LYS 17 2HE LYS 17 -0.242 -1.528 6.264
111 HZ1 LYS 17 3HZ LYS 17 -0.555 -1.220 9.209
112 HZ2 LYS 17 1HZ LYS 17 0.731 -0.698 8.338
113 HZ3 LYS 17 2HZ LYS 17 0.432 -2.294 8.482
114 H VAL 18 H VAL 18 1.902 2.853 6.526
115 HA VAL 18 HA VAL 18 2.709 3.204 3.681
116 HB VAL 18 HB VAL 18 5.096 3.110 4.738
117 HG11 VAL 18 1HG1 VAL 18 3.377 5.593 4.862
118 HG12 VAL 18 2HG1 VAL 18 5.152 5.535 4.798
119 HG13 VAL 18 3HG1 VAL 18 4.213 4.937 3.427
120 HG21 VAL 18 3HG2 VAL 18 5.314 4.203 6.878
121 HG22 VAL 18 1HG2 VAL 18 3.558 4.396 7.024
122 HG23 VAL 18 2HG2 VAL 18 4.293 2.769 7.102
123 H PHE 19 H PHE 19 3.852 1.765 2.604
124 HA PHE 19 HA PHE 19 4.101 -1.018 3.658
125 HB2 PHE 19 1HB PHE 19 3.105 -0.150 0.924
126 HB3 PHE 19 2HB PHE 19 3.285 -1.798 1.482
127 HD1 PHE 19 2HD PHE 19 1.275 1.309 1.888
128 HD2 PHE 19 1HD PHE 19 1.636 -2.870 2.879
129 HE1 PHE 19 2HE PHE 19 -0.983 1.360 2.931
130 HE2 PHE 19 1HE PHE 19 -0.641 -2.830 3.872
131 HZ PHE 19 HZ PHE 19 -1.929 -0.708 3.929
132 H LYS 20 H LYS 20 5.601 -2.336 2.559
133 HA LYS 20 HA LYS 20 8.093 -0.967 1.920
134 HB2 LYS 20 1HB LYS 20 7.384 -3.931 1.967
135 HB3 LYS 20 2HB LYS 20 9.018 -3.241 1.945
136 HG2 LYS 20 1HG LYS 20 8.461 -2.073 4.131
137 HG3 LYS 20 2HG LYS 20 6.931 -2.971 4.155
138 HD2 LYS 20 1HD LYS 20 8.225 -5.119 4.076
139 HD3 LYS 20 2HD LYS 20 9.735 -4.182 4.135
140 HE2 LYS 20 1HE LYS 20 9.023 -3.198 6.309
141 HE3 LYS 20 2HE LYS 20 7.534 -4.152 6.247
142 HZ1 LYS 20 3HZ LYS 20 9.224 -5.241 7.610
143 HZ2 LYS 20 1HZ LYS 20 10.278 -5.291 6.365
144 HZ3 LYS 20 2HZ LYS 20 8.901 -6.171 6.310
145 H PHE 21 H PHE 21 5.605 -2.393 -0.015
146 HA PHE 21 HA PHE 21 7.193 -2.043 -2.505
147 HB2 PHE 21 1HB PHE 21 5.441 -4.444 -1.848
148 HB3 PHE 21 2HB PHE 21 6.366 -4.180 -3.314
149 HD1 PHE 21 2HD PHE 21 8.952 -4.086 -3.138
150 HD2 PHE 21 1HD PHE 21 6.411 -5.547 0.026
151 HE1 PHE 21 2HE PHE 21 10.899 -5.221 -2.093
152 HE2 PHE 21 1HE PHE 21 8.365 -6.658 1.083
153 HZ PHE 21 HZ PHE 21 10.611 -6.502 0.020
154 H LYS 22 H LYS 22 5.949 -1.689 -4.385
155 HA LYS 22 HA LYS 22 3.639 -0.060 -4.124
156 HB2 LYS 22 1HB LYS 22 5.194 0.014 -6.026
157 HB3 LYS 22 2HB LYS 22 4.716 -1.606 -6.526
158 HG2 LYS 22 1HG LYS 22 2.455 -0.874 -6.991
159 HG3 LYS 22 2HG LYS 22 2.775 0.750 -6.360
160 HD2 LYS 22 1HD LYS 22 4.453 -0.370 -8.633
161 HD3 LYS 22 2HD LYS 22 2.855 0.342 -8.951
162 HE2 LYS 22 1HE LYS 22 3.595 2.444 -7.846
163 HE3 LYS 22 2HE LYS 22 5.194 1.727 -7.582
164 HZ1 LYS 22 3HZ LYS 22 3.961 2.201 -10.246
165 HZ2 LYS 22 1HZ LYS 22 5.436 1.541 -10.003
166 HZ3 LYS 22 2HZ LYS 22 5.158 3.095 -9.593
167 H HIS 23 H HIS 23 3.818 -3.490 -5.178
168 HA HIS 23 HA HIS 23 1.040 -3.796 -5.622
169 HB2 HIS 23 1HB HIS 23 1.517 -6.230 -5.546
170 HB3 HIS 23 2HB HIS 23 2.609 -5.321 -6.580
171 HD1 HIS 23 1HD HIS 23 5.155 -5.738 -6.154
172 HD2 HIS 23 2HD HIS 23 2.625 -6.978 -3.024
173 HE1 HIS 23 1HE HIS 23 6.634 -6.964 -4.480
174 H SER 24 H SER 24 2.801 -3.887 -2.610
175 HA SER 24 HA SER 24 0.756 -5.188 -1.007
176 HB2 SER 24 1HB SER 24 3.067 -3.358 -0.269
177 HB3 SER 24 2HB SER 24 1.974 -4.120 0.886
178 HG SER 24 HG SER 24 3.771 -5.458 0.613
179 H LEU 25 H LEU 25 1.583 -1.731 -1.628
180 HA LEU 25 HA LEU 25 -0.641 -0.671 -0.138
181 HB2 LEU 25 1HB LEU 25 1.223 0.766 -0.688
182 HB3 LEU 25 2HB LEU 25 1.062 0.422 -2.412
183 HG LEU 25 HG LEU 25 -1.127 1.581 -2.476
184 HD11 LEU 25 1HD1 LEU 25 -1.916 2.895 -0.609
185 HD12 LEU 25 2HD1 LEU 25 -0.561 2.362 0.416
186 HD13 LEU 25 3HD1 LEU 25 -1.825 1.223 -0.095
187 HD21 LEU 25 3HD2 LEU 25 -0.302 3.840 -2.230
188 HD22 LEU 25 1HD2 LEU 25 0.954 2.806 -2.935
189 HD23 LEU 25 2HD2 LEU 25 1.040 3.272 -1.217
190 H GLN 26 H GLN 26 -0.207 -1.561 -3.577
191 HA GLN 26 HA GLN 26 -2.701 -0.501 -4.495
192 HB2 GLN 26 1HB GLN 26 -0.946 -2.721 -5.599
193 HB3 GLN 26 2HB GLN 26 -2.372 -2.129 -6.436
194 HG2 GLN 26 1HG GLN 26 0.005 -0.371 -5.680
195 HG3 GLN 26 2HG GLN 26 -0.235 -1.125 -7.252
196 HE21 GLN 26 1HE2 GLN 26 -2.447 -0.520 -8.359
197 HE22 GLN 26 2HE2 GLN 26 -2.932 1.155 -8.139
198 H ALA 27 H ALA 27 -1.986 -3.693 -3.163
199 HA ALA 27 HA ALA 27 -4.666 -4.773 -3.496
200 HB1 ALA 27 1HB ALA 27 -2.633 -6.152 -3.254
201 HB2 ALA 27 2HB ALA 27 -2.360 -5.467 -1.632
202 HB3 ALA 27 3HB ALA 27 -3.786 -6.489 -1.936
203 H HIS 28 H HIS 28 -3.012 -2.973 -0.850
204 HA HIS 28 HA HIS 28 -5.131 -3.203 1.074
205 HB2 HIS 28 1HB HIS 28 -2.983 -2.577 1.833
206 HB3 HIS 28 2HB HIS 28 -2.826 -1.276 0.668
207 HD1 HIS 28 1HD HIS 28 -4.711 -2.039 3.942
208 HD2 HIS 28 2HD HIS 28 -3.777 1.093 1.297
209 HE1 HIS 28 1HE HIS 28 -5.411 0.096 5.123
210 H LEU 29 H LEU 29 -4.696 -0.972 -1.688
211 HA LEU 29 HA LEU 29 -6.731 0.891 -1.079
212 HB2 LEU 29 1HB LEU 29 -6.142 -0.221 -3.845
213 HB3 LEU 29 2HB LEU 29 -6.905 1.318 -3.458
214 HG LEU 29 HG LEU 29 -4.029 0.524 -2.972
215 HD11 LEU 29 1HD1 LEU 29 -5.276 2.638 -4.744
216 HD12 LEU 29 2HD1 LEU 29 -4.593 1.071 -5.269
217 HD13 LEU 29 3HD1 LEU 29 -3.537 2.304 -4.558
218 HD21 LEU 29 3HD2 LEU 29 -3.731 2.943 -2.251
219 HD22 LEU 29 1HD2 LEU 29 -4.654 1.973 -1.101
220 HD23 LEU 29 2HD2 LEU 29 -5.503 3.085 -2.193
221 H ARG 30 H ARG 30 -7.134 -2.436 -2.086
222 HA ARG 30 HA ARG 30 -9.778 -2.311 -3.123
223 HB2 ARG 30 1HB ARG 30 -8.448 -4.641 -1.736
224 HB3 ARG 30 2HB ARG 30 -9.894 -4.679 -2.756
225 HG2 ARG 30 1HG ARG 30 -8.541 -3.778 -4.684
226 HG3 ARG 30 2HG ARG 30 -7.104 -3.837 -3.671
227 HD2 ARG 30 1HD ARG 30 -7.079 -5.788 -4.991
228 HD3 ARG 30 2HD ARG 30 -7.483 -6.274 -3.328
229 HE ARG 30 HE ARG 30 -9.881 -5.827 -4.863
230 HH11 ARG 30 2HH1 ARG 30 -7.346 -8.229 -4.582
231 HH12 ARG 30 1HH1 ARG 30 -8.375 -9.514 -5.155
232 HH21 ARG 30 1HH2 ARG 30 -11.141 -7.512 -5.576
233 HH22 ARG 30 2HH2 ARG 30 -10.466 -9.109 -5.704
234 H ILE 31 H ILE 31 -8.817 -1.959 0.197
235 HA ILE 31 HA ILE 31 -11.522 -2.522 1.226
236 HB ILE 31 HB ILE 31 -10.784 -2.095 3.339
237 HG12 ILE 31 1HG1 ILE 31 -8.412 -0.538 2.277
238 HG13 ILE 31 2HG1 ILE 31 -9.790 0.074 3.176
239 HG21 ILE 31 1HG2 ILE 31 -8.935 -3.591 3.655
240 HG22 ILE 31 2HG2 ILE 31 -9.808 -4.135 2.222
241 HG23 ILE 31 3HG2 ILE 31 -8.280 -3.244 2.044
242 HD11 ILE 31 3HD1 ILE 31 -7.606 -1.723 4.268
243 HD12 ILE 31 1HD1 ILE 31 -7.945 -0.033 4.674
244 HD13 ILE 31 2HD1 ILE 31 -9.095 -1.296 5.151
245 H HIS 32 H HIS 32 -9.774 0.214 -0.003
246 HA HIS 32 HA HIS 32 -11.621 2.242 1.053
247 HB2 HIS 32 1HB HIS 32 -9.083 2.362 -0.627
248 HB3 HIS 32 2HB HIS 32 -9.976 3.757 -0.085
249 HD1 HIS 32 1HD HIS 32 -10.308 3.623 2.869
250 HD2 HIS 32 2HD HIS 32 -7.013 1.968 0.859
251 HE1 HIS 32 1HE HIS 32 -8.431 3.535 4.578
252 H THR 33 H THR 33 -11.052 0.513 -2.000
253 HA THR 33 HA THR 33 -12.622 2.265 -3.686
254 HB THR 33 HB THR 33 -12.776 0.292 -5.194
255 HG1 THR 33 1HG THR 33 -11.806 -1.590 -4.619
256 HG21 THR 33 3HG2 THR 33 -9.959 0.756 -4.129
257 HG22 THR 33 1HG2 THR 33 -10.789 1.749 -5.346
258 HG23 THR 33 2HG2 THR 33 -10.391 0.054 -5.697
259 H ASN 34 H ASN 34 -13.503 -0.232 -1.404
260 HA ASN 34 HA ASN 34 -16.312 -0.324 -2.335
261 HB2 ASN 34 1HB ASN 34 -15.040 -2.422 -1.909
262 HB3 ASN 34 2HB ASN 34 -14.840 -1.947 -0.219
263 HD21 ASN 34 1HD2 ASN 34 -17.474 -2.403 -2.674
264 HD22 ASN 34 2HD2 ASN 34 -18.578 -3.121 -1.513
265 H GLU 35 H GLU 35 -18.095 0.016 -0.880
266 HA GLU 35 HA GLU 35 -17.745 2.384 0.753
267 HB2 GLU 35 1HB GLU 35 -20.144 2.376 0.974
268 HB3 GLU 35 2HB GLU 35 -19.668 2.125 -0.704
269 HG2 GLU 35 1HG GLU 35 -20.103 -0.328 -0.444
270 HG3 GLU 35 2HG GLU 35 -20.617 -0.046 1.221
271 H LYS 36 H LYS 36 -18.458 2.715 2.913
272 HA LYS 36 HA LYS 36 -18.554 0.401 4.757
273 HB2 LYS 36 1HB LYS 36 -16.150 1.211 4.391
274 HB3 LYS 36 2HB LYS 36 -16.600 2.697 5.212
275 HG2 LYS 36 1HG LYS 36 -16.818 -0.110 6.405
276 HG3 LYS 36 2HG LYS 36 -15.424 0.953 6.589
277 HD2 LYS 36 1HD LYS 36 -16.892 2.646 7.723
278 HD3 LYS 36 2HD LYS 36 -18.220 1.463 7.675
279 HE2 LYS 36 1HE LYS 36 -16.831 -0.157 8.933
280 HE3 LYS 36 2HE LYS 36 -15.515 1.022 9.001
281 HZ1 LYS 36 3HZ LYS 36 -16.987 2.492 10.274
282 HZ2 LYS 36 1HZ LYS 36 -16.840 1.056 11.035
283 HZ3 LYS 36 2HZ LYS 36 -18.204 1.403 10.210
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 19.244 -6.824 6.988
2 H2 GLY 1 2H GLY 1 18.152 -7.798 6.254
3 H3 GLY 1 3H GLY 1 17.888 -7.279 7.786
4 HA2 GLY 1 1HA GLY 1 16.488 -6.056 6.269
5 HA3 GLY 1 2HA GLY 1 17.679 -4.999 7.048
6 H SER 2 H SER 2 17.440 -3.523 5.271
7 HA SER 2 HA SER 2 18.251 -4.312 2.557
8 HB2 SER 2 1HB SER 2 17.674 -1.584 3.771
9 HB3 SER 2 2HB SER 2 18.046 -1.887 2.067
10 HG SER 2 HG SER 2 15.844 -2.983 3.524
11 H SER 3 H SER 3 20.092 -3.678 1.456
12 HA SER 3 HA SER 3 22.377 -2.501 2.984
13 HB2 SER 3 1HB SER 3 22.493 -4.958 1.192
14 HB3 SER 3 2HB SER 3 23.893 -4.105 1.869
15 HG SER 3 HG SER 3 23.274 -5.924 3.138
16 H GLY 4 H GLY 4 23.600 -1.071 1.868
17 HA2 GLY 4 1HA GLY 4 24.405 0.262 0.179
18 HA3 GLY 4 2HA GLY 4 23.753 -0.870 -1.002
19 H SER 5 H SER 5 21.074 -0.117 0.682
20 HA SER 5 HA SER 5 20.430 2.523 -0.502
21 HB2 SER 5 1HB SER 5 18.868 -0.038 -1.058
22 HB3 SER 5 2HB SER 5 18.258 1.595 -1.363
23 HG SER 5 HG SER 5 20.588 0.436 -2.527
24 H SER 6 H SER 6 18.677 3.558 0.495
25 HA SER 6 HA SER 6 18.318 2.886 3.290
26 HB2 SER 6 1HB SER 6 17.171 5.204 1.704
27 HB3 SER 6 2HB SER 6 17.303 5.081 3.469
28 HG SER 6 HG SER 6 19.022 6.302 2.556
29 H GLY 7 H GLY 7 16.787 1.269 1.119
30 HA2 GLY 7 1HA GLY 7 14.787 0.056 1.162
31 HA3 GLY 7 2HA GLY 7 14.235 1.001 2.542
32 H LYS 8 H LYS 8 12.284 0.608 1.169
33 HA LYS 8 HA LYS 8 11.652 3.076 -0.367
34 HB2 LYS 8 1HB LYS 8 10.972 0.208 -1.163
35 HB3 LYS 8 2HB LYS 8 10.133 1.604 -1.822
36 HG2 LYS 8 1HG LYS 8 13.126 1.109 -2.126
37 HG3 LYS 8 2HG LYS 8 11.888 0.670 -3.304
38 HD2 LYS 8 1HD LYS 8 11.228 3.074 -3.518
39 HD3 LYS 8 2HD LYS 8 12.483 3.508 -2.353
40 HE2 LYS 8 1HE LYS 8 13.357 3.969 -4.503
41 HE3 LYS 8 2HE LYS 8 14.220 2.569 -3.860
42 HZ1 LYS 8 3HZ LYS 8 13.577 2.266 -6.193
43 HZ2 LYS 8 1HZ LYS 8 11.998 2.447 -5.839
44 HZ3 LYS 8 2HZ LYS 8 12.824 1.151 -5.277
45 H ILE 9 H ILE 9 9.654 3.843 -0.114
46 HA ILE 9 HA ILE 9 7.682 2.315 1.464
47 HB ILE 9 HB ILE 9 6.862 4.270 2.640
48 HG12 ILE 9 1HG1 ILE 9 9.431 5.728 1.904
49 HG13 ILE 9 2HG1 ILE 9 7.894 6.020 1.093
50 HG21 ILE 9 1HG2 ILE 9 9.774 3.675 3.300
51 HG22 ILE 9 2HG2 ILE 9 8.505 4.209 4.422
52 HG23 ILE 9 3HG2 ILE 9 8.401 2.612 3.679
53 HD11 ILE 9 3HD1 ILE 9 8.208 7.697 2.798
54 HD12 ILE 9 1HD1 ILE 9 6.840 6.660 3.240
55 HD13 ILE 9 2HD1 ILE 9 8.414 6.467 4.054
56 H PHE 10 H PHE 10 5.630 2.476 0.917
57 HA PHE 10 HA PHE 10 4.720 4.356 -1.233
58 HB2 PHE 10 1HB PHE 10 4.203 1.376 -0.859
59 HB3 PHE 10 2HB PHE 10 3.166 2.401 -1.827
60 HD1 PHE 10 2HD PHE 10 6.635 1.051 -1.575
61 HD2 PHE 10 1HD PHE 10 3.749 3.125 -4.023
62 HE1 PHE 10 2HE PHE 10 8.091 0.730 -3.564
63 HE2 PHE 10 1HE PHE 10 5.193 2.782 -6.012
64 HZ PHE 10 HZ PHE 10 7.326 1.542 -5.803
65 H THR 11 H THR 11 3.097 5.639 -0.498
66 HA THR 11 HA THR 11 1.822 4.945 2.105
67 HB THR 11 HB THR 11 1.929 7.695 0.854
68 HG1 THR 11 1HG THR 11 3.776 8.048 2.043
69 HG21 THR 11 3HG2 THR 11 1.866 8.334 3.309
70 HG22 THR 11 1HG2 THR 11 1.591 6.623 3.696
71 HG23 THR 11 2HG2 THR 11 0.401 7.536 2.720
72 H CYS 12 H CYS 12 -0.296 4.757 2.387
73 HA CYS 12 HA CYS 12 -2.216 4.809 0.251
74 HB2 CYS 12 1HB CYS 12 -2.272 3.355 2.247
75 HB3 CYS 12 2HB CYS 12 -2.490 4.785 3.277
76 H GLU 13 H GLU 13 -3.396 6.428 -0.543
77 HA GLU 13 HA GLU 13 -3.091 9.124 0.572
78 HB2 GLU 13 1HB GLU 13 -4.305 9.889 -1.366
79 HB3 GLU 13 2HB GLU 13 -3.046 8.757 -1.856
80 HG2 GLU 13 1HG GLU 13 -4.763 6.959 -2.070
81 HG3 GLU 13 2HG GLU 13 -6.016 8.120 -1.610
82 H TYR 14 H TYR 14 -5.158 6.545 1.242
83 HA TYR 14 HA TYR 14 -7.529 8.220 1.885
84 HB2 TYR 14 1HB TYR 14 -7.162 5.220 1.764
85 HB3 TYR 14 2HB TYR 14 -8.667 6.054 2.067
86 HD1 TYR 14 1HD TYR 14 -9.730 7.436 0.244
87 HD2 TYR 14 2HD TYR 14 -6.302 4.907 -0.486
88 HE1 TYR 14 1HE TYR 14 -10.210 7.485 -2.198
89 HE2 TYR 14 2HE TYR 14 -6.791 4.964 -2.928
90 HH TYR 14 HH TYR 14 -9.572 6.773 -4.279
91 H CYS 15 H CYS 15 -5.164 6.097 3.508
92 HA CYS 15 HA CYS 15 -6.116 7.158 6.121
93 HB2 CYS 15 1HB CYS 15 -6.018 5.034 7.189
94 HB3 CYS 15 2HB CYS 15 -7.143 4.982 5.839
95 H ASN 16 H ASN 16 -3.520 7.037 4.140
96 HA ASN 16 HA ASN 16 -1.317 7.368 4.309
97 HB2 ASN 16 1HB ASN 16 -1.869 8.671 6.962
98 HB3 ASN 16 2HB ASN 16 -0.546 8.999 5.842
99 HD21 ASN 16 1HD2 ASN 16 -2.021 9.129 3.348
100 HD22 ASN 16 2HD2 ASN 16 -2.999 10.582 3.487
101 H LYS 17 H LYS 17 -2.180 4.782 5.282
102 HA LYS 17 HA LYS 17 -0.034 3.879 7.063
103 HB2 LYS 17 1HB LYS 17 -2.239 2.719 6.892
104 HB3 LYS 17 2HB LYS 17 -1.888 2.307 5.212
105 HG2 LYS 17 1HG LYS 17 -0.013 0.910 5.876
106 HG3 LYS 17 2HG LYS 17 -0.120 1.476 7.555
107 HD2 LYS 17 1HD LYS 17 -2.273 0.367 7.857
108 HD3 LYS 17 2HD LYS 17 -2.364 -0.019 6.140
109 HE2 LYS 17 1HE LYS 17 -1.726 -2.022 7.280
110 HE3 LYS 17 2HE LYS 17 -0.334 -1.457 6.351
111 HZ1 LYS 17 3HZ LYS 17 0.277 -2.143 8.611
112 HZ2 LYS 17 1HZ LYS 17 -0.715 -1.033 9.273
113 HZ3 LYS 17 2HZ LYS 17 0.597 -0.557 8.417
114 H VAL 18 H VAL 18 1.858 2.885 6.432
115 HA VAL 18 HA VAL 18 2.676 3.224 3.588
116 HB VAL 18 HB VAL 18 5.052 3.196 4.634
117 HG11 VAL 18 1HG1 VAL 18 4.088 5.041 3.376
118 HG12 VAL 18 2HG1 VAL 18 3.264 5.630 4.842
119 HG13 VAL 18 3HG1 VAL 18 5.037 5.629 4.747
120 HG21 VAL 18 3HG2 VAL 18 3.509 4.419 6.952
121 HG22 VAL 18 1HG2 VAL 18 4.274 2.805 7.006
122 HG23 VAL 18 2HG2 VAL 18 5.266 4.260 6.790
123 H PHE 19 H PHE 19 3.691 1.742 2.494
124 HA PHE 19 HA PHE 19 4.134 -0.979 3.656
125 HB2 PHE 19 1HB PHE 19 3.092 -0.338 0.884
126 HB3 PHE 19 2HB PHE 19 3.306 -1.922 1.581
127 HD1 PHE 19 2HD PHE 19 1.236 1.170 1.782
128 HD2 PHE 19 1HD PHE 19 1.653 -2.949 2.968
129 HE1 PHE 19 2HE PHE 19 -0.997 1.265 2.881
130 HE2 PHE 19 1HE PHE 19 -0.603 -2.875 4.012
131 HZ PHE 19 HZ PHE 19 -1.899 -0.759 4.005
132 H LYS 20 H LYS 20 5.603 -2.301 2.369
133 HA LYS 20 HA LYS 20 8.085 -0.879 1.844
134 HB2 LYS 20 1HB LYS 20 7.254 -3.808 1.622
135 HB3 LYS 20 2HB LYS 20 8.921 -3.242 1.495
136 HG2 LYS 20 1HG LYS 20 7.157 -2.767 3.941
137 HG3 LYS 20 2HG LYS 20 8.213 -4.175 3.742
138 HD2 LYS 20 1HD LYS 20 10.160 -2.631 3.403
139 HD3 LYS 20 2HD LYS 20 9.127 -1.260 3.816
140 HE2 LYS 20 1HE LYS 20 9.697 -3.659 5.620
141 HE3 LYS 20 2HE LYS 20 10.551 -2.118 5.704
142 HZ1 LYS 20 3HZ LYS 20 8.781 -2.194 7.338
143 HZ2 LYS 20 1HZ LYS 20 7.644 -2.477 6.207
144 HZ3 LYS 20 2HZ LYS 20 8.430 -1.039 6.244
145 H PHE 21 H PHE 21 5.668 -2.331 -0.237
146 HA PHE 21 HA PHE 21 7.231 -1.615 -2.673
147 HB2 PHE 21 1HB PHE 21 5.885 -4.278 -2.069
148 HB3 PHE 21 2HB PHE 21 6.594 -3.825 -3.609
149 HD1 PHE 21 2HD PHE 21 9.097 -3.365 -3.763
150 HD2 PHE 21 1HD PHE 21 7.266 -5.146 -0.289
151 HE1 PHE 21 2HE PHE 21 11.317 -4.194 -3.016
152 HE2 PHE 21 1HE PHE 21 9.486 -5.975 0.456
153 HZ PHE 21 HZ PHE 21 11.515 -5.500 -0.906
154 H LYS 22 H LYS 22 5.978 -1.552 -4.628
155 HA LYS 22 HA LYS 22 3.670 0.034 -4.405
156 HB2 LYS 22 1HB LYS 22 5.251 -0.063 -6.359
157 HB3 LYS 22 2HB LYS 22 4.564 -1.627 -6.807
158 HG2 LYS 22 1HG LYS 22 2.339 -0.578 -7.026
159 HG3 LYS 22 2HG LYS 22 3.004 0.986 -6.544
160 HD2 LYS 22 1HD LYS 22 2.743 0.979 -8.938
161 HD3 LYS 22 2HD LYS 22 4.470 0.987 -8.556
162 HE2 LYS 22 1HE LYS 22 4.581 -1.459 -8.992
163 HE3 LYS 22 2HE LYS 22 2.842 -1.487 -9.317
164 HZ1 LYS 22 3HZ LYS 22 4.849 0.029 -10.906
165 HZ2 LYS 22 1HZ LYS 22 3.243 0.000 -11.210
166 HZ3 LYS 22 2HZ LYS 22 4.130 -1.359 -11.373
167 H HIS 23 H HIS 23 3.787 -3.403 -5.398
168 HA HIS 23 HA HIS 23 0.999 -3.710 -5.719
169 HB2 HIS 23 1HB HIS 23 1.413 -6.070 -5.811
170 HB3 HIS 23 2HB HIS 23 2.738 -5.246 -6.620
171 HD1 HIS 23 1HD HIS 23 2.043 -7.569 -3.704
172 HD2 HIS 23 2HD HIS 23 5.165 -5.199 -5.235
173 HE1 HIS 23 1HE HIS 23 4.165 -8.319 -2.507
174 H SER 24 H SER 24 2.904 -3.821 -2.799
175 HA SER 24 HA SER 24 0.990 -5.121 -1.064
176 HB2 SER 24 1HB SER 24 3.160 -3.095 -0.414
177 HB3 SER 24 2HB SER 24 2.248 -4.046 0.752
178 HG SER 24 HG SER 24 3.162 -5.935 -0.154
179 H LEU 25 H LEU 25 1.655 -1.651 -1.725
180 HA LEU 25 HA LEU 25 -0.543 -0.651 -0.152
181 HB2 LEU 25 1HB LEU 25 1.292 0.818 -0.734
182 HB3 LEU 25 2HB LEU 25 1.087 0.492 -2.456
183 HG LEU 25 HG LEU 25 -1.115 1.630 -2.444
184 HD11 LEU 25 1HD1 LEU 25 -0.466 2.406 0.432
185 HD12 LEU 25 2HD1 LEU 25 -1.719 1.237 -0.037
186 HD13 LEU 25 3HD1 LEU 25 -1.867 2.909 -0.544
187 HD21 LEU 25 3HD2 LEU 25 1.083 3.326 -1.245
188 HD22 LEU 25 1HD2 LEU 25 -0.299 3.894 -2.202
189 HD23 LEU 25 2HD2 LEU 25 0.939 2.878 -2.963
190 H GLN 26 H GLN 26 -0.181 -1.509 -3.592
191 HA GLN 26 HA GLN 26 -2.706 -0.472 -4.463
192 HB2 GLN 26 1HB GLN 26 -0.875 -2.597 -5.605
193 HB3 GLN 26 2HB GLN 26 -2.352 -2.120 -6.422
194 HG2 GLN 26 1HG GLN 26 -0.167 -0.133 -5.652
195 HG3 GLN 26 2HG GLN 26 -0.236 -0.951 -7.207
196 HE21 GLN 26 1HE2 GLN 26 -0.303 1.909 -6.902
197 HE22 GLN 26 2HE2 GLN 26 -1.877 2.427 -7.486
198 H ALA 27 H ALA 27 -1.912 -3.656 -3.151
199 HA ALA 27 HA ALA 27 -4.579 -4.781 -3.439
200 HB1 ALA 27 1HB ALA 27 -2.523 -6.127 -3.220
201 HB2 ALA 27 2HB ALA 27 -2.236 -5.428 -1.607
202 HB3 ALA 27 3HB ALA 27 -3.651 -6.472 -1.883
203 H HIS 28 H HIS 28 -2.917 -2.931 -0.829
204 HA HIS 28 HA HIS 28 -5.007 -3.204 1.128
205 HB2 HIS 28 1HB HIS 28 -2.886 -2.522 1.884
206 HB3 HIS 28 2HB HIS 28 -2.738 -1.244 0.692
207 HD1 HIS 28 1HD HIS 28 -4.647 -1.962 3.966
208 HD2 HIS 28 2HD HIS 28 -3.708 1.131 1.276
209 HE1 HIS 28 1HE HIS 28 -5.369 0.188 5.104
210 H LEU 29 H LEU 29 -4.643 -0.962 -1.636
211 HA LEU 29 HA LEU 29 -6.706 0.859 -1.004
212 HB2 LEU 29 1HB LEU 29 -6.126 -0.227 -3.780
213 HB3 LEU 29 2HB LEU 29 -6.902 1.301 -3.375
214 HG LEU 29 HG LEU 29 -4.016 0.533 -2.909
215 HD11 LEU 29 1HD1 LEU 29 -4.632 1.088 -5.204
216 HD12 LEU 29 2HD1 LEU 29 -3.526 2.287 -4.507
217 HD13 LEU 29 3HD1 LEU 29 -5.262 2.666 -4.657
218 HD21 LEU 29 3HD2 LEU 29 -4.645 1.970 -1.030
219 HD22 LEU 29 1HD2 LEU 29 -5.513 3.077 -2.114
220 HD23 LEU 29 2HD2 LEU 29 -3.739 2.956 -2.180
221 H ARG 30 H ARG 30 -7.062 -2.471 -1.998
222 HA ARG 30 HA ARG 30 -9.719 -2.421 -2.999
223 HB2 ARG 30 1HB ARG 30 -8.321 -4.695 -1.590
224 HB3 ARG 30 2HB ARG 30 -9.781 -4.781 -2.588
225 HG2 ARG 30 1HG ARG 30 -8.510 -3.928 -4.557
226 HG3 ARG 30 2HG ARG 30 -7.045 -3.857 -3.585
227 HD2 ARG 30 1HD ARG 30 -6.951 -5.874 -4.833
228 HD3 ARG 30 2HD ARG 30 -7.222 -6.275 -3.136
229 HE ARG 30 HE ARG 30 -9.300 -7.174 -3.654
230 HH11 ARG 30 2HH1 ARG 30 -8.202 -5.479 -6.523
231 HH12 ARG 30 1HH1 ARG 30 -9.482 -6.138 -7.505
232 HH21 ARG 30 2HH2 ARG 30 -10.901 -7.964 -4.963
233 HH22 ARG 30 1HH2 ARG 30 -10.963 -7.507 -6.639
234 H ILE 31 H ILE 31 -8.715 -1.991 0.302
235 HA ILE 31 HA ILE 31 -11.390 -2.599 1.383
236 HB ILE 31 HB ILE 31 -10.628 -2.135 3.475
237 HG12 ILE 31 1HG1 ILE 31 -8.287 -0.553 2.379
238 HG13 ILE 31 2HG1 ILE 31 -9.677 0.057 3.262
239 HG21 ILE 31 1HG2 ILE 31 -9.628 -4.167 2.367
240 HG22 ILE 31 2HG2 ILE 31 -8.121 -3.248 2.155
241 HG23 ILE 31 3HG2 ILE 31 -8.743 -3.591 3.780
242 HD11 ILE 31 3HD1 ILE 31 -7.844 0.001 4.774
243 HD12 ILE 31 1HD1 ILE 31 -8.976 -1.273 5.261
244 HD13 ILE 31 2HD1 ILE 31 -7.475 -1.690 4.396
245 H HIS 32 H HIS 32 -9.734 0.153 0.080
246 HA HIS 32 HA HIS 32 -11.606 2.157 1.141
247 HB2 HIS 32 1HB HIS 32 -9.103 2.306 -0.589
248 HB3 HIS 32 2HB HIS 32 -10.017 3.690 -0.059
249 HD1 HIS 32 1HD HIS 32 -10.291 3.608 2.907
250 HD2 HIS 32 2HD HIS 32 -7.000 1.986 0.866
251 HE1 HIS 32 1HE HIS 32 -8.382 3.587 4.583
252 H THR 33 H THR 33 -11.106 0.346 -1.858
253 HA THR 33 HA THR 33 -12.678 2.072 -3.571
254 HB THR 33 HB THR 33 -12.749 0.092 -5.086
255 HG1 THR 33 1HG THR 33 -11.744 -1.758 -4.490
256 HG21 THR 33 3HG2 THR 33 -9.976 0.674 -3.978
257 HG22 THR 33 1HG2 THR 33 -10.821 1.603 -5.231
258 HG23 THR 33 2HG2 THR 33 -10.347 -0.081 -5.536
259 H ASN 34 H ASN 34 -13.684 -0.009 -1.065
260 HA ASN 34 HA ASN 34 -16.452 -0.238 -2.167
261 HB2 ASN 34 1HB ASN 34 -15.205 -2.370 -2.354
262 HB3 ASN 34 2HB ASN 34 -14.830 -2.315 -0.630
263 HD21 ASN 34 1HD2 ASN 34 -17.605 -2.430 -2.931
264 HD22 ASN 34 2HD2 ASN 34 -18.649 -3.291 -1.812
265 H GLU 35 H GLU 35 -18.169 -0.293 -0.660
266 HA GLU 35 HA GLU 35 -17.637 0.330 2.177
267 HB2 GLU 35 1HB GLU 35 -17.804 2.516 0.991
268 HB3 GLU 35 2HB GLU 35 -19.412 2.069 0.411
269 HG2 GLU 35 1HG GLU 35 -20.243 1.979 2.734
270 HG3 GLU 35 2HG GLU 35 -18.617 2.286 3.349
271 H LYS 36 H LYS 36 -19.222 -0.407 3.555
272 HA LYS 36 HA LYS 36 -21.730 -1.594 2.525
273 HB2 LYS 36 1HB LYS 36 -19.976 -3.373 2.431
274 HB3 LYS 36 2HB LYS 36 -19.696 -3.168 4.167
275 HG2 LYS 36 1HG LYS 36 -22.048 -3.834 4.619
276 HG3 LYS 36 2HG LYS 36 -22.340 -3.992 2.875
277 HD2 LYS 36 1HD LYS 36 -20.579 -5.744 2.751
278 HD3 LYS 36 2HD LYS 36 -20.328 -5.632 4.495
279 HE2 LYS 36 1HE LYS 36 -22.957 -6.394 3.135
280 HE3 LYS 36 2HE LYS 36 -21.775 -7.552 3.747
281 HZ1 LYS 36 3HZ LYS 36 -23.517 -7.184 5.371
282 HZ2 LYS 36 1HZ LYS 36 -23.237 -5.579 5.418
283 HZ3 LYS 36 2HZ LYS 36 -22.111 -6.626 5.979
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 12.976 3.818 -13.234
2 H2 GLY 1 2H GLY 1 13.881 2.520 -12.814
3 H3 GLY 1 3H GLY 1 14.439 4.031 -12.526
4 HA2 GLY 1 1HA GLY 1 12.673 4.451 -10.939
5 HA3 GLY 1 2HA GLY 1 12.084 2.807 -11.244
6 H SER 2 H SER 2 12.343 2.504 -8.917
7 HA SER 2 HA SER 2 14.990 1.392 -8.248
8 HB2 SER 2 1HB SER 2 14.986 3.786 -7.446
9 HB3 SER 2 2HB SER 2 13.635 3.366 -6.373
10 HG SER 2 HG SER 2 15.723 3.193 -5.363
11 H SER 3 H SER 3 14.927 -0.142 -6.548
12 HA SER 3 HA SER 3 12.514 -1.727 -6.512
13 HB2 SER 3 1HB SER 3 15.096 -2.061 -4.943
14 HB3 SER 3 2HB SER 3 13.822 -3.281 -5.130
15 HG SER 3 HG SER 3 15.542 -3.567 -6.640
16 H GLY 4 H GLY 4 11.142 -2.275 -4.844
17 HA2 GLY 4 1HA GLY 4 10.623 -0.460 -2.671
18 HA3 GLY 4 2HA GLY 4 9.938 -2.066 -2.873
19 H SER 5 H SER 5 10.579 -1.090 -0.412
20 HA SER 5 HA SER 5 11.625 -1.312 1.526
21 HB2 SER 5 1HB SER 5 12.387 -3.401 2.250
22 HB3 SER 5 2HB SER 5 11.124 -3.713 1.055
23 HG SER 5 HG SER 5 12.951 -3.898 -0.488
24 H SER 6 H SER 6 13.875 -1.321 -1.141
25 HA SER 6 HA SER 6 16.260 -0.911 0.429
26 HB2 SER 6 1HB SER 6 15.703 -0.385 -2.512
27 HB3 SER 6 2HB SER 6 17.303 -0.376 -1.740
28 HG SER 6 HG SER 6 16.884 -2.402 -2.676
29 H GLY 7 H GLY 7 14.859 0.766 1.721
30 HA2 GLY 7 1HA GLY 7 14.829 2.955 2.527
31 HA3 GLY 7 2HA GLY 7 15.728 3.508 1.112
32 H LYS 8 H LYS 8 13.452 1.937 -0.449
33 HA LYS 8 HA LYS 8 11.640 4.210 -0.820
34 HB2 LYS 8 1HB LYS 8 12.468 3.021 -2.770
35 HB3 LYS 8 2HB LYS 8 11.895 1.485 -2.128
36 HG2 LYS 8 1HG LYS 8 10.460 2.245 -3.929
37 HG3 LYS 8 2HG LYS 8 9.568 2.158 -2.414
38 HD2 LYS 8 1HD LYS 8 9.811 4.654 -2.172
39 HD3 LYS 8 2HD LYS 8 10.624 4.702 -3.745
40 HE2 LYS 8 1HE LYS 8 8.663 4.003 -4.904
41 HE3 LYS 8 2HE LYS 8 7.914 3.378 -3.429
42 HZ1 LYS 8 3HZ LYS 8 7.584 5.564 -2.622
43 HZ2 LYS 8 1HZ LYS 8 6.949 5.505 -4.126
44 HZ3 LYS 8 2HZ LYS 8 8.378 6.266 -3.886
45 H ILE 9 H ILE 9 9.658 4.421 -0.119
46 HA ILE 9 HA ILE 9 8.100 2.139 0.966
47 HB ILE 9 HB ILE 9 7.055 3.702 2.601
48 HG12 ILE 9 1HG1 ILE 9 9.477 5.512 2.265
49 HG13 ILE 9 2HG1 ILE 9 7.982 5.820 1.382
50 HG21 ILE 9 1HG2 ILE 9 8.751 2.017 3.237
51 HG22 ILE 9 2HG2 ILE 9 10.034 3.229 3.031
52 HG23 ILE 9 3HG2 ILE 9 8.797 3.439 4.287
53 HD11 ILE 9 3HD1 ILE 9 8.079 7.143 3.436
54 HD12 ILE 9 1HD1 ILE 9 6.712 6.019 3.441
55 HD13 ILE 9 2HD1 ILE 9 8.164 5.664 4.414
56 H PHE 10 H PHE 10 5.826 2.440 0.895
57 HA PHE 10 HA PHE 10 4.780 4.386 -1.132
58 HB2 PHE 10 1HB PHE 10 4.149 1.424 -0.785
59 HB3 PHE 10 2HB PHE 10 3.210 2.524 -1.771
60 HD1 PHE 10 2HD PHE 10 6.487 0.800 -1.469
61 HD2 PHE 10 1HD PHE 10 3.978 3.290 -3.939
62 HE1 PHE 10 2HE PHE 10 7.945 0.327 -3.428
63 HE2 PHE 10 1HE PHE 10 5.436 2.820 -5.892
64 HZ PHE 10 HZ PHE 10 7.387 1.306 -5.654
65 H THR 11 H THR 11 2.961 5.497 -0.456
66 HA THR 11 HA THR 11 1.857 4.814 2.250
67 HB THR 11 HB THR 11 1.958 7.564 0.987
68 HG1 THR 11 1HG THR 11 3.769 7.934 2.217
69 HG21 THR 11 3HG2 THR 11 1.823 8.224 3.429
70 HG22 THR 11 1HG2 THR 11 1.563 6.510 3.827
71 HG23 THR 11 2HG2 THR 11 0.383 7.404 2.815
72 H CYS 12 H CYS 12 -0.279 4.649 2.555
73 HA CYS 12 HA CYS 12 -2.184 4.658 0.401
74 HB2 CYS 12 1HB CYS 12 -2.277 3.234 2.414
75 HB3 CYS 12 2HB CYS 12 -2.494 4.677 3.423
76 H GLU 13 H GLU 13 -3.344 6.303 -0.450
77 HA GLU 13 HA GLU 13 -2.991 9.017 0.482
78 HB2 GLU 13 1HB GLU 13 -3.025 8.580 -1.854
79 HB3 GLU 13 2HB GLU 13 -4.365 7.454 -1.724
80 HG2 GLU 13 1HG GLU 13 -5.093 9.343 -2.867
81 HG3 GLU 13 2HG GLU 13 -5.941 9.195 -1.337
82 H TYR 14 H TYR 14 -5.141 6.415 1.230
83 HA TYR 14 HA TYR 14 -7.450 8.151 1.874
84 HB2 TYR 14 1HB TYR 14 -7.146 5.147 1.702
85 HB3 TYR 14 2HB TYR 14 -8.645 6.006 1.973
86 HD1 TYR 14 1HD TYR 14 -9.537 7.550 0.148
87 HD2 TYR 14 2HD TYR 14 -6.279 4.791 -0.529
88 HE1 TYR 14 1HE TYR 14 -9.898 7.721 -2.309
89 HE2 TYR 14 2HE TYR 14 -6.645 4.977 -2.984
90 HH TYR 14 HH TYR 14 -9.212 7.044 -4.386
91 H CYS 15 H CYS 15 -5.187 5.971 3.551
92 HA CYS 15 HA CYS 15 -6.206 7.050 6.135
93 HB2 CYS 15 1HB CYS 15 -6.159 4.947 7.228
94 HB3 CYS 15 2HB CYS 15 -7.226 4.866 5.832
95 H ASN 16 H ASN 16 -3.567 6.892 4.221
96 HA ASN 16 HA ASN 16 -1.378 7.267 4.446
97 HB2 ASN 16 1HB ASN 16 -2.020 8.599 7.062
98 HB3 ASN 16 2HB ASN 16 -0.685 8.941 5.960
99 HD21 ASN 16 1HD2 ASN 16 -2.112 8.997 3.438
100 HD22 ASN 16 2HD2 ASN 16 -3.142 10.417 3.533
101 H LYS 17 H LYS 17 -2.185 4.659 5.404
102 HA LYS 17 HA LYS 17 -0.019 3.888 7.246
103 HB2 LYS 17 1HB LYS 17 -2.080 2.521 7.178
104 HB3 LYS 17 2HB LYS 17 -1.823 2.185 5.457
105 HG2 LYS 17 1HG LYS 17 0.290 1.060 5.957
106 HG3 LYS 17 2HG LYS 17 0.143 1.455 7.679
107 HD2 LYS 17 1HD LYS 17 -1.852 -0.008 7.808
108 HD3 LYS 17 2HD LYS 17 -1.700 -0.384 6.088
109 HE2 LYS 17 1HE LYS 17 0.330 -1.001 8.288
110 HE3 LYS 17 2HE LYS 17 -0.717 -2.166 7.481
111 HZ1 LYS 17 3HZ LYS 17 0.476 -1.636 5.385
112 HZ2 LYS 17 1HZ LYS 17 1.481 -2.246 6.522
113 HZ3 LYS 17 2HZ LYS 17 1.504 -0.649 6.187
114 H VAL 18 H VAL 18 1.909 2.968 6.632
115 HA VAL 18 HA VAL 18 2.718 3.273 3.787
116 HB VAL 18 HB VAL 18 5.101 3.176 4.846
117 HG11 VAL 18 1HG1 VAL 18 3.299 5.611 5.007
118 HG12 VAL 18 2HG1 VAL 18 5.070 5.636 5.041
119 HG13 VAL 18 3HG1 VAL 18 4.231 5.047 3.597
120 HG21 VAL 18 3HG2 VAL 18 3.543 4.436 7.133
121 HG22 VAL 18 1HG2 VAL 18 4.250 2.792 7.212
122 HG23 VAL 18 2HG2 VAL 18 5.298 4.214 7.015
123 H PHE 19 H PHE 19 3.956 1.845 2.756
124 HA PHE 19 HA PHE 19 4.206 -0.952 3.758
125 HB2 PHE 19 1HB PHE 19 3.209 -0.093 1.022
126 HB3 PHE 19 2HB PHE 19 3.417 -1.736 1.569
127 HD1 PHE 19 2HD PHE 19 1.377 1.355 2.177
128 HD2 PHE 19 1HD PHE 19 1.671 -2.923 2.632
129 HE1 PHE 19 2HE PHE 19 -0.917 1.298 3.108
130 HE2 PHE 19 1HE PHE 19 -0.660 -2.988 3.490
131 HZ PHE 19 HZ PHE 19 -1.926 -0.868 3.790
132 H LYS 20 H LYS 20 5.612 -2.236 2.352
133 HA LYS 20 HA LYS 20 8.126 -0.817 1.768
134 HB2 LYS 20 1HB LYS 20 7.302 -3.752 1.856
135 HB3 LYS 20 2HB LYS 20 8.959 -3.206 1.614
136 HG2 LYS 20 1HG LYS 20 7.271 -2.510 4.061
137 HG3 LYS 20 2HG LYS 20 8.343 -3.917 3.957
138 HD2 LYS 20 1HD LYS 20 10.241 -2.344 3.387
139 HD3 LYS 20 2HD LYS 20 9.184 -0.987 3.795
140 HE2 LYS 20 1HE LYS 20 9.942 -3.288 5.659
141 HE3 LYS 20 2HE LYS 20 10.741 -1.715 5.637
142 HZ1 LYS 20 3HZ LYS 20 8.612 -0.691 6.260
143 HZ2 LYS 20 1HZ LYS 20 9.067 -1.793 7.372
144 HZ3 LYS 20 2HZ LYS 20 7.881 -2.158 6.318
145 H PHE 21 H PHE 21 5.641 -2.416 -0.113
146 HA PHE 21 HA PHE 21 7.140 -1.918 -2.642
147 HB2 PHE 21 1HB PHE 21 5.666 -4.463 -1.853
148 HB3 PHE 21 2HB PHE 21 6.310 -4.116 -3.448
149 HD1 PHE 21 1HD PHE 21 7.166 -5.021 0.017
150 HD2 PHE 21 2HD PHE 21 8.719 -4.177 -3.908
151 HE1 PHE 21 1HE PHE 21 9.383 -5.923 0.706
152 HE2 PHE 21 2HE PHE 21 10.933 -5.097 -3.230
153 HZ PHE 21 HZ PHE 21 11.264 -5.965 -0.924
154 H LYS 22 H LYS 22 5.869 -1.620 -4.492
155 HA LYS 22 HA LYS 22 3.556 -0.061 -4.132
156 HB2 LYS 22 1HB LYS 22 5.152 -0.074 -6.125
157 HB3 LYS 22 2HB LYS 22 4.340 -1.536 -6.686
158 HG2 LYS 22 1HG LYS 22 2.178 -0.293 -6.659
159 HG3 LYS 22 2HG LYS 22 3.013 1.164 -6.134
160 HD2 LYS 22 1HD LYS 22 2.598 1.332 -8.502
161 HD3 LYS 22 2HD LYS 22 4.340 1.174 -8.238
162 HE2 LYS 22 1HE LYS 22 4.217 -1.236 -8.826
163 HE3 LYS 22 2HE LYS 22 2.464 -1.108 -9.022
164 HZ1 LYS 22 3HZ LYS 22 4.471 0.341 -10.669
165 HZ2 LYS 22 1HZ LYS 22 2.851 0.457 -10.852
166 HZ3 LYS 22 2HZ LYS 22 3.609 -0.955 -11.157
167 H HIS 23 H HIS 23 3.720 -3.432 -5.331
168 HA HIS 23 HA HIS 23 0.938 -3.763 -5.704
169 HB2 HIS 23 1HB HIS 23 1.477 -6.202 -5.716
170 HB3 HIS 23 2HB HIS 23 2.478 -5.221 -6.775
171 HD1 HIS 23 1HD HIS 23 5.049 -5.589 -6.520
172 HD2 HIS 23 2HD HIS 23 2.762 -6.934 -3.250
173 HE1 HIS 23 1HE HIS 23 6.670 -6.774 -4.951
174 H SER 24 H SER 24 2.766 -3.880 -2.724
175 HA SER 24 HA SER 24 0.778 -5.350 -1.165
176 HB2 SER 24 1HB SER 24 3.012 -3.478 -0.294
177 HB3 SER 24 2HB SER 24 1.977 -4.432 0.773
178 HG SER 24 HG SER 24 3.897 -5.579 0.339
179 H LEU 25 H LEU 25 1.524 -1.880 -1.645
180 HA LEU 25 HA LEU 25 -0.685 -0.887 -0.082
181 HB2 LEU 25 1HB LEU 25 1.184 0.567 -0.591
182 HB3 LEU 25 2HB LEU 25 0.997 0.297 -2.326
183 HG LEU 25 HG LEU 25 -1.207 1.455 -2.284
184 HD11 LEU 25 1HD1 LEU 25 -0.516 2.192 0.590
185 HD12 LEU 25 2HD1 LEU 25 -1.781 1.032 0.129
186 HD13 LEU 25 3HD1 LEU 25 -1.928 2.712 -0.360
187 HD21 LEU 25 3HD2 LEU 25 0.852 2.666 -2.818
188 HD22 LEU 25 1HD2 LEU 25 1.043 3.092 -1.097
189 HD23 LEU 25 2HD2 LEU 25 -0.348 3.700 -2.021
190 H GLN 26 H GLN 26 -0.286 -1.704 -3.535
191 HA GLN 26 HA GLN 26 -2.760 -0.658 -4.480
192 HB2 GLN 26 1HB GLN 26 -1.105 -2.994 -5.497
193 HB3 GLN 26 2HB GLN 26 -2.552 -2.417 -6.315
194 HG2 GLN 26 1HG GLN 26 -1.567 -0.192 -6.620
195 HG3 GLN 26 2HG GLN 26 -0.101 -0.687 -5.799
196 HE21 GLN 26 1HE2 GLN 26 -1.983 -0.991 -8.800
197 HE22 GLN 26 2HE2 GLN 26 -0.723 -1.838 -9.683
198 H ALA 27 H ALA 27 -2.077 -3.855 -3.104
199 HA ALA 27 HA ALA 27 -4.748 -4.926 -3.375
200 HB1 ALA 27 1HB ALA 27 -3.875 -6.604 -1.777
201 HB2 ALA 27 2HB ALA 27 -2.714 -6.292 -3.095
202 HB3 ALA 27 3HB ALA 27 -2.453 -5.572 -1.486
203 H HIS 28 H HIS 28 -3.116 -3.019 -0.812
204 HA HIS 28 HA HIS 28 -5.247 -3.228 1.126
205 HB2 HIS 28 1HB HIS 28 -3.086 -2.651 1.885
206 HB3 HIS 28 2HB HIS 28 -2.898 -1.355 0.720
207 HD1 HIS 28 1HD HIS 28 -4.753 -2.077 4.013
208 HD2 HIS 28 2HD HIS 28 -3.825 1.033 1.338
209 HE1 HIS 28 1HE HIS 28 -5.385 0.072 5.206
210 H LEU 29 H LEU 29 -4.760 -1.050 -1.670
211 HA LEU 29 HA LEU 29 -6.745 0.874 -1.061
212 HB2 LEU 29 1HB LEU 29 -6.182 -0.226 -3.835
213 HB3 LEU 29 2HB LEU 29 -6.870 1.343 -3.427
214 HG LEU 29 HG LEU 29 -4.040 0.403 -2.934
215 HD11 LEU 29 1HD1 LEU 29 -3.427 2.132 -4.517
216 HD12 LEU 29 2HD1 LEU 29 -5.137 2.598 -4.700
217 HD13 LEU 29 3HD1 LEU 29 -4.575 0.987 -5.236
218 HD21 LEU 29 3HD2 LEU 29 -5.379 3.042 -2.170
219 HD22 LEU 29 1HD2 LEU 29 -3.617 2.791 -2.195
220 HD23 LEU 29 2HD2 LEU 29 -4.620 1.878 -1.063
221 H ARG 30 H ARG 30 -7.228 -2.430 -2.053
222 HA ARG 30 HA ARG 30 -9.881 -2.271 -3.100
223 HB2 ARG 30 1HB ARG 30 -8.563 -4.582 -1.619
224 HB3 ARG 30 2HB ARG 30 -9.964 -4.678 -2.689
225 HG2 ARG 30 1HG ARG 30 -8.608 -4.019 -4.626
226 HG3 ARG 30 2HG ARG 30 -7.184 -3.797 -3.603
227 HD2 ARG 30 1HD ARG 30 -7.271 -6.182 -2.952
228 HD3 ARG 30 2HD ARG 30 -8.653 -6.423 -4.042
229 HE ARG 30 HE ARG 30 -6.710 -5.287 -5.659
230 HH11 ARG 30 2HH1 ARG 30 -6.807 -8.214 -3.733
231 HH12 ARG 30 1HH1 ARG 30 -5.650 -9.030 -4.748
232 HH21 ARG 30 2HH2 ARG 30 -5.248 -6.391 -6.918
233 HH22 ARG 30 1HH2 ARG 30 -4.799 -8.019 -6.505
234 H ILE 31 H ILE 31 -8.913 -1.853 0.187
235 HA ILE 31 HA ILE 31 -11.636 -2.360 1.220
236 HB ILE 31 HB ILE 31 -10.881 -1.966 3.330
237 HG12 ILE 31 1HG1 ILE 31 -8.479 -0.463 2.265
238 HG13 ILE 31 2HG1 ILE 31 -9.832 0.170 3.187
239 HG21 ILE 31 1HG2 ILE 31 -9.076 -3.516 3.644
240 HG22 ILE 31 2HG2 ILE 31 -9.962 -4.031 2.208
241 HG23 ILE 31 3HG2 ILE 31 -8.409 -3.183 2.034
242 HD11 ILE 31 3HD1 ILE 31 -7.967 0.007 4.660
243 HD12 ILE 31 1HD1 ILE 31 -9.141 -1.234 5.140
244 HD13 ILE 31 2HD1 ILE 31 -7.674 -1.687 4.232
245 H HIS 32 H HIS 32 -9.807 0.302 -0.028
246 HA HIS 32 HA HIS 32 -11.570 2.403 1.041
247 HB2 HIS 32 1HB HIS 32 -9.007 2.417 -0.605
248 HB3 HIS 32 2HB HIS 32 -9.846 3.852 -0.074
249 HD1 HIS 32 1HD HIS 32 -10.274 3.634 2.894
250 HD2 HIS 32 2HD HIS 32 -6.962 1.988 0.902
251 HE1 HIS 32 1HE HIS 32 -8.441 3.451 4.639
252 H THR 33 H THR 33 -10.808 0.859 -2.082
253 HA THR 33 HA THR 33 -13.154 2.285 -3.278
254 HB THR 33 HB THR 33 -11.182 2.966 -4.442
255 HG1 THR 33 1HG THR 33 -11.925 2.409 -6.472
256 HG21 THR 33 3HG2 THR 33 -10.684 0.032 -5.125
257 HG22 THR 33 1HG2 THR 33 -9.636 1.097 -4.164
258 HG23 THR 33 2HG2 THR 33 -9.887 1.429 -5.876
259 H ASN 34 H ASN 34 -14.831 1.135 -3.874
260 HA ASN 34 HA ASN 34 -14.784 -1.750 -4.334
261 HB2 ASN 34 1HB ASN 34 -14.679 -1.369 -1.783
262 HB3 ASN 34 2HB ASN 34 -16.274 -0.634 -1.906
263 HD21 ASN 34 1HD2 ASN 34 -16.546 -2.486 -0.246
264 HD22 ASN 34 2HD2 ASN 34 -17.037 -4.031 -0.928
265 H GLU 35 H GLU 35 -17.118 -2.535 -4.681
266 HA GLU 35 HA GLU 35 -18.535 -0.660 -6.422
267 HB2 GLU 35 1HB GLU 35 -19.891 -2.545 -7.050
268 HB3 GLU 35 2HB GLU 35 -18.190 -2.996 -7.060
269 HG2 GLU 35 1HG GLU 35 -18.467 -4.134 -4.868
270 HG3 GLU 35 2HG GLU 35 -20.163 -3.654 -4.821
271 H LYS 36 H LYS 36 -18.656 -0.917 -3.177
272 HA LYS 36 HA LYS 36 -21.550 -0.209 -2.892
273 HB2 LYS 36 1HB LYS 36 -20.797 -2.230 -1.646
274 HB3 LYS 36 2HB LYS 36 -19.578 -1.254 -0.839
275 HG2 LYS 36 1HG LYS 36 -21.769 0.234 -0.191
276 HG3 LYS 36 2HG LYS 36 -22.588 -1.275 -0.524
277 HD2 LYS 36 1HD LYS 36 -22.090 -0.998 1.866
278 HD3 LYS 36 2HD LYS 36 -21.286 -2.418 1.207
279 HE2 LYS 36 1HE LYS 36 -19.889 -1.105 2.811
280 HE3 LYS 36 2HE LYS 36 -19.136 -1.347 1.237
281 HZ1 LYS 36 3HZ LYS 36 -19.696 0.913 0.626
282 HZ2 LYS 36 1HZ LYS 36 -18.909 0.949 2.054
283 HZ3 LYS 36 2HZ LYS 36 -20.527 1.155 2.026