Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
588734 | 2ruy RC | 11478 | 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 23.936 23.479 2.017
2 H2 GLY 1 2H GLY 1 23.216 23.753 0.569
3 H3 GLY 1 3H GLY 1 24.340 22.573 0.712
4 HA2 GLY 1 1HA GLY 1 22.924 21.307 2.191
5 HA3 GLY 1 2HA GLY 1 21.706 22.587 2.037
6 H SER 2 H SER 2 20.714 20.276 1.450
7 HA SER 2 HA SER 2 20.317 20.251 -1.478
8 HB2 SER 2 1HB SER 2 20.631 17.818 -1.620
9 HB3 SER 2 2HB SER 2 22.125 18.644 -1.160
10 HG SER 2 HG SER 2 21.737 16.778 0.125
11 H SER 3 H SER 3 18.499 18.843 -2.124
12 HA SER 3 HA SER 3 16.481 18.210 -0.058
13 HB2 SER 3 1HB SER 3 14.724 19.444 -1.249
14 HB3 SER 3 2HB SER 3 15.986 20.524 -0.640
15 HG SER 3 HG SER 3 15.390 21.025 -2.801
16 H GLY 4 H GLY 4 14.656 16.959 -0.902
17 HA2 GLY 4 1HA GLY 4 14.480 15.794 -3.468
18 HA3 GLY 4 2HA GLY 4 15.516 14.750 -2.493
19 H SER 5 H SER 5 13.633 13.307 -3.136
20 HA SER 5 HA SER 5 11.130 13.534 -1.667
21 HB2 SER 5 1HB SER 5 10.691 11.289 -2.662
22 HB3 SER 5 2HB SER 5 11.083 12.550 -3.840
23 HG SER 5 HG SER 5 12.209 10.583 -4.251
24 H SER 6 H SER 6 10.302 11.756 -0.316
25 HA SER 6 HA SER 6 12.045 11.181 1.935
26 HB2 SER 6 1HB SER 6 9.978 10.125 2.856
27 HB3 SER 6 2HB SER 6 9.772 11.805 2.345
28 HG SER 6 HG SER 6 8.053 10.456 1.626
29 H GLY 7 H GLY 7 11.997 8.954 2.946
30 HA2 GLY 7 1HA GLY 7 13.391 7.080 1.329
31 HA3 GLY 7 2HA GLY 7 12.749 6.775 2.939
32 H HIS 8 H HIS 8 12.874 4.836 0.909
33 HA HIS 8 HA HIS 8 10.596 4.636 -0.737
34 HB2 HIS 8 1HB HIS 8 12.681 3.440 -1.156
35 HB3 HIS 8 2HB HIS 8 12.445 2.457 0.292
36 HD1 HIS 8 1HD HIS 8 10.621 0.462 0.098
37 HD2 HIS 8 2HD HIS 8 11.121 2.873 -3.317
38 HE1 HIS 8 1HE HIS 8 9.358 -0.701 -1.790
39 H LEU 9 H LEU 9 8.637 3.873 -0.572
40 HA LEU 9 HA LEU 9 7.785 1.968 1.508
41 HB2 LEU 9 1HB LEU 9 6.323 4.562 0.844
42 HB3 LEU 9 2HB LEU 9 5.619 3.226 1.752
43 HG LEU 9 HG LEU 9 8.031 4.840 2.685
44 HD11 LEU 9 1HD1 LEU 9 5.982 6.197 2.624
45 HD12 LEU 9 2HD1 LEU 9 6.458 5.840 4.291
46 HD13 LEU 9 3HD1 LEU 9 5.110 4.952 3.541
47 HD21 LEU 9 3HD2 LEU 9 7.577 3.773 4.868
48 HD22 LEU 9 1HD2 LEU 9 7.963 2.554 3.651
49 HD23 LEU 9 2HD2 LEU 9 6.274 2.810 4.139
50 H TYR 10 H TYR 10 5.921 0.749 0.822
51 HA TYR 10 HA TYR 10 5.817 0.379 -2.117
52 HB2 TYR 10 1HB TYR 10 4.650 -1.241 0.175
53 HB3 TYR 10 2HB TYR 10 4.531 -1.652 -1.529
54 HD1 TYR 10 1HD TYR 10 6.948 -1.196 1.279
55 HD2 TYR 10 2HD TYR 10 6.320 -2.744 -2.693
56 HE1 TYR 10 1HE TYR 10 9.139 -2.401 1.398
57 HE2 TYR 10 2HE TYR 10 8.491 -3.958 -2.566
58 HH TYR 10 HH TYR 10 10.342 -4.427 -1.295
59 H TYR 11 H TYR 11 4.184 1.180 -3.333
60 HA TYR 11 HA TYR 11 2.036 2.686 -1.973
61 HB2 TYR 11 1HB TYR 11 3.241 2.787 -4.734
62 HB3 TYR 11 2HB TYR 11 1.682 3.515 -4.399
63 HD1 TYR 11 1HD TYR 11 5.288 3.621 -3.404
64 HD2 TYR 11 2HD TYR 11 1.445 5.584 -3.252
65 HE1 TYR 11 1HE TYR 11 6.363 5.651 -2.455
66 HE2 TYR 11 2HE TYR 11 2.527 7.621 -2.313
67 HH TYR 11 HH TYR 11 6.055 7.792 -1.689
68 H CYS 12 H CYS 12 -0.070 2.526 -2.295
69 HA CYS 12 HA CYS 12 -1.311 0.048 -2.585
70 HB2 CYS 12 1HB CYS 12 -2.125 1.931 -1.301
71 HB3 CYS 12 2HB CYS 12 -2.327 2.901 -2.765
72 H SER 13 H SER 13 -2.686 -0.843 -4.051
73 HA SER 13 HA SER 13 -2.035 -0.554 -6.875
74 HB2 SER 13 1HB SER 13 -4.145 -2.260 -5.498
75 HB3 SER 13 2HB SER 13 -3.604 -2.415 -7.181
76 HG SER 13 HG SER 13 -2.527 -3.905 -5.828
77 H GLN 14 H GLN 14 -4.440 0.908 -4.837
78 HA GLN 14 HA GLN 14 -6.010 1.772 -7.245
79 HB2 GLN 14 1HB GLN 14 -7.153 0.735 -4.628
80 HB3 GLN 14 2HB GLN 14 -8.076 1.481 -5.934
81 HG2 GLN 14 1HG GLN 14 -7.188 -0.349 -7.482
82 HG3 GLN 14 2HG GLN 14 -6.527 -1.136 -6.048
83 HE21 GLN 14 1HE2 GLN 14 -7.848 -3.025 -6.305
84 HE22 GLN 14 2HE2 GLN 14 -9.588 -2.965 -6.052
85 H CYS 15 H CYS 15 -4.367 2.937 -4.484
86 HA CYS 15 HA CYS 15 -5.368 5.624 -5.114
87 HB2 CYS 15 1HB CYS 15 -6.029 6.259 -2.949
88 HB3 CYS 15 2HB CYS 15 -6.861 4.756 -3.297
89 H HIS 16 H HIS 16 -4.164 7.061 -3.126
90 HA HIS 16 HA HIS 16 -1.337 6.930 -3.969
91 HB2 HIS 16 1HB HIS 16 -1.208 9.225 -3.254
92 HB3 HIS 16 2HB HIS 16 -2.606 9.004 -4.296
93 HD1 HIS 16 1HD HIS 16 -1.782 9.545 -0.553
94 HD2 HIS 16 2HD HIS 16 -4.986 9.635 -3.281
95 HE1 HIS 16 1HE HIS 16 -3.764 10.544 0.706
96 H TYR 17 H TYR 17 -2.941 5.576 -1.404
97 HA TYR 17 HA TYR 17 -1.269 6.233 0.840
98 HB2 TYR 17 1HB TYR 17 -3.477 5.183 1.034
99 HB3 TYR 17 2HB TYR 17 -2.893 3.758 0.181
100 HD1 TYR 17 1HD TYR 17 -2.508 5.734 3.331
101 HD2 TYR 17 2HD TYR 17 -1.807 1.976 1.325
102 HE1 TYR 17 1HE TYR 17 -1.858 4.686 5.502
103 HE2 TYR 17 2HE TYR 17 -1.185 0.931 3.492
104 HH TYR 17 HH TYR 17 -0.902 1.244 5.754
105 H SER 18 H SER 18 0.406 4.992 1.846
106 HA SER 18 HA SER 18 1.611 2.783 0.379
107 HB2 SER 18 1HB SER 18 3.873 3.720 0.337
108 HB3 SER 18 2HB SER 18 2.752 4.690 -0.619
109 HG SER 18 HG SER 18 3.986 6.077 0.634
110 H SER 19 H SER 19 3.101 1.517 1.564
111 HA SER 19 HA SER 19 3.240 1.943 4.505
112 HB2 SER 19 1HB SER 19 1.112 0.693 3.866
113 HB3 SER 19 2HB SER 19 2.157 -0.647 3.355
114 HG SER 19 HG SER 19 1.398 -0.719 5.596
115 H ILE 20 H ILE 20 4.421 0.065 5.559
116 HA ILE 20 HA ILE 20 6.945 -0.493 4.104
117 HB ILE 20 HB ILE 20 7.704 -1.447 6.290
118 HG12 ILE 20 1HG1 ILE 20 5.251 -0.049 7.464
119 HG13 ILE 20 2HG1 ILE 20 5.450 -1.797 7.353
120 HG21 ILE 20 1HG2 ILE 20 8.287 0.808 5.412
121 HG22 ILE 20 2HG2 ILE 20 6.916 1.494 6.313
122 HG23 ILE 20 3HG2 ILE 20 8.281 0.748 7.171
123 HD11 ILE 20 3HD1 ILE 20 5.987 -1.130 9.584
124 HD12 ILE 20 1HD1 ILE 20 7.491 -1.640 8.790
125 HD13 ILE 20 2HD1 ILE 20 7.139 0.091 9.026
126 H THR 21 H THR 21 7.367 -2.315 3.174
127 HA THR 21 HA THR 21 7.154 -4.289 2.166
128 HB THR 21 HB THR 21 6.719 -6.290 3.287
129 HG1 THR 21 1HG THR 21 5.346 -4.677 5.133
130 HG21 THR 21 3HG2 THR 21 8.766 -5.111 4.071
131 HG22 THR 21 1HG2 THR 21 8.061 -6.195 5.285
132 HG23 THR 21 2HG2 THR 21 7.835 -4.441 5.432
133 H LYS 22 H LYS 22 5.880 -5.693 0.937
134 HA LYS 22 HA LYS 22 3.190 -4.842 0.267
135 HB2 LYS 22 1HB LYS 22 4.710 -7.401 -0.391
136 HB3 LYS 22 2HB LYS 22 3.149 -6.936 -1.081
137 HG2 LYS 22 1HG LYS 22 4.174 -4.860 -2.008
138 HG3 LYS 22 2HG LYS 22 5.753 -5.375 -1.382
139 HD2 LYS 22 1HD LYS 22 5.641 -7.430 -2.767
140 HD3 LYS 22 2HD LYS 22 4.064 -6.913 -3.405
141 HE2 LYS 22 1HE LYS 22 5.112 -4.854 -4.321
142 HE3 LYS 22 2HE LYS 22 6.681 -5.366 -3.684
143 HZ1 LYS 22 3HZ LYS 22 5.111 -6.846 -5.731
144 HZ2 LYS 22 1HZ LYS 22 6.561 -7.319 -5.143
145 HZ3 LYS 22 2HZ LYS 22 6.444 -5.955 -6.030
146 H ASN 23 H ASN 23 4.472 -7.131 2.579
147 HA ASN 23 HA ASN 23 2.135 -8.689 3.062
148 HB2 ASN 23 1HB ASN 23 4.507 -8.046 4.878
149 HB3 ASN 23 2HB ASN 23 3.342 -9.337 5.140
150 HD21 ASN 23 1HD2 ASN 23 3.397 -11.221 3.740
151 HD22 ASN 23 2HD2 ASN 23 4.801 -11.509 2.725
152 H CYS 24 H CYS 24 3.092 -5.511 4.359
153 HA CYS 24 HA CYS 24 0.700 -5.442 6.115
154 HB2 CYS 24 1HB CYS 24 2.947 -4.410 6.734
155 HB3 CYS 24 2HB CYS 24 2.621 -3.180 5.495
156 HG CYS 24 HG CYS 24 2.053 -2.184 7.842
157 H LEU 25 H LEU 25 1.875 -3.851 3.093
158 HA LEU 25 HA LEU 25 -0.246 -2.149 2.672
159 HB2 LEU 25 1HB LEU 25 1.910 -2.202 1.418
160 HB3 LEU 25 2HB LEU 25 1.366 -3.669 0.599
161 HG LEU 25 HG LEU 25 -0.547 -2.366 -0.398
162 HD11 LEU 25 1HD1 LEU 25 -0.360 0.115 -0.400
163 HD12 LEU 25 2HD1 LEU 25 0.935 0.016 0.807
164 HD13 LEU 25 3HD1 LEU 25 -0.718 -0.510 1.209
165 HD21 LEU 25 3HD2 LEU 25 2.206 -1.253 -0.980
166 HD22 LEU 25 1HD2 LEU 25 0.796 -1.293 -2.066
167 HD23 LEU 25 2HD2 LEU 25 1.577 -2.801 -1.589
168 H LYS 26 H LYS 26 -0.125 -5.617 1.709
169 HA LYS 26 HA LYS 26 -2.496 -5.656 0.169
170 HB2 LYS 26 1HB LYS 26 -2.534 -8.033 0.478
171 HB3 LYS 26 2HB LYS 26 -0.871 -7.492 0.249
172 HG2 LYS 26 1HG LYS 26 -0.553 -7.596 2.751
173 HG3 LYS 26 2HG LYS 26 -2.168 -8.292 2.901
174 HD2 LYS 26 1HD LYS 26 0.144 -9.510 1.329
175 HD3 LYS 26 2HD LYS 26 -0.361 -9.985 2.959
176 HE2 LYS 26 1HE LYS 26 -2.613 -10.603 2.076
177 HE3 LYS 26 2HE LYS 26 -2.079 -10.185 0.443
178 HZ1 LYS 26 3HZ LYS 26 -0.881 -12.320 2.129
179 HZ2 LYS 26 1HZ LYS 26 -0.382 -11.929 0.621
180 HZ3 LYS 26 2HZ LYS 26 -1.866 -12.565 0.853
181 H ARG 27 H ARG 27 -2.239 -5.601 3.692
182 HA ARG 27 HA ARG 27 -5.004 -6.287 4.238
183 HB2 ARG 27 1HB ARG 27 -3.153 -6.467 5.879
184 HB3 ARG 27 2HB ARG 27 -2.992 -4.706 5.892
185 HG2 ARG 27 1HG ARG 27 -5.238 -4.458 6.848
186 HG3 ARG 27 2HG ARG 27 -5.528 -6.197 6.683
187 HD2 ARG 27 1HD ARG 27 -4.983 -5.652 8.992
188 HD3 ARG 27 2HD ARG 27 -3.724 -6.678 8.284
189 HE ARG 27 HE ARG 27 -3.001 -3.915 7.980
190 HH11 ARG 27 2HH1 ARG 27 -3.216 -6.293 10.543
191 HH12 ARG 27 1HH1 ARG 27 -1.954 -5.535 11.475
192 HH21 ARG 27 2HH2 ARG 27 -1.362 -3.030 9.194
193 HH22 ARG 27 1HH2 ARG 27 -0.949 -3.728 10.731
194 H HIS 28 H HIS 28 -3.377 -3.168 3.596
195 HA HIS 28 HA HIS 28 -5.721 -1.517 3.977
196 HB2 HIS 28 1HB HIS 28 -3.603 -0.434 3.921
197 HB3 HIS 28 2HB HIS 28 -3.152 -1.175 2.396
198 HD1 HIS 28 1HD HIS 28 -5.193 1.754 3.712
199 HD2 HIS 28 2HD HIS 28 -4.116 -0.147 0.127
200 HE1 HIS 28 1HE HIS 28 -5.926 3.324 1.858
201 H VAL 29 H VAL 29 -4.409 -3.206 1.065
202 HA VAL 29 HA VAL 29 -6.511 -2.295 -0.672
203 HB VAL 29 HB VAL 29 -4.755 -4.758 -0.966
204 HG11 VAL 29 1HG1 VAL 29 -6.378 -3.187 -3.024
205 HG12 VAL 29 2HG1 VAL 29 -5.218 -4.481 -3.396
206 HG13 VAL 29 3HG1 VAL 29 -6.688 -4.858 -2.498
207 HG21 VAL 29 3HG2 VAL 29 -4.428 -1.908 -2.022
208 HG22 VAL 29 1HG2 VAL 29 -3.406 -2.685 -0.795
209 HG23 VAL 29 2HG2 VAL 29 -3.397 -3.290 -2.449
210 H ILE 30 H ILE 30 -6.275 -5.229 1.342
211 HA ILE 30 HA ILE 30 -8.767 -6.402 0.548
212 HB ILE 30 HB ILE 30 -7.042 -6.618 3.036
213 HG12 ILE 30 1HG1 ILE 30 -7.610 -8.714 0.901
214 HG13 ILE 30 2HG1 ILE 30 -6.323 -7.541 0.703
215 HG21 ILE 30 1HG2 ILE 30 -9.545 -8.244 2.401
216 HG22 ILE 30 2HG2 ILE 30 -8.370 -8.641 3.669
217 HG23 ILE 30 3HG2 ILE 30 -9.308 -7.166 3.795
218 HD11 ILE 30 3HD1 ILE 30 -6.507 -9.634 2.905
219 HD12 ILE 30 1HD1 ILE 30 -5.364 -9.568 1.556
220 HD13 ILE 30 2HD1 ILE 30 -5.280 -8.348 2.840
221 H GLN 31 H GLN 31 -8.028 -4.094 3.216
222 HA GLN 31 HA GLN 31 -10.797 -4.188 4.145
223 HB2 GLN 31 1HB GLN 31 -8.347 -2.643 5.058
224 HB3 GLN 31 2HB GLN 31 -9.928 -2.543 5.843
225 HG2 GLN 31 1HG GLN 31 -9.912 -4.962 6.295
226 HG3 GLN 31 2HG GLN 31 -8.339 -5.129 5.520
227 HE21 GLN 31 1HE2 GLN 31 -8.439 -6.074 8.036
228 HE22 GLN 31 2HE2 GLN 31 -7.686 -4.949 9.158
229 H LYS 32 H LYS 32 -8.887 -1.784 2.326
230 HA LYS 32 HA LYS 32 -11.093 0.206 2.614
231 HB2 LYS 32 1HB LYS 32 -8.239 0.615 1.655
232 HB3 LYS 32 2HB LYS 32 -9.417 1.865 2.016
233 HG2 LYS 32 1HG LYS 32 -8.138 -0.028 4.035
234 HG3 LYS 32 2HG LYS 32 -7.793 1.685 3.806
235 HD2 LYS 32 1HD LYS 32 -10.140 2.243 4.481
236 HD3 LYS 32 2HD LYS 32 -10.450 0.523 4.741
237 HE2 LYS 32 1HE LYS 32 -10.030 1.368 6.881
238 HE3 LYS 32 2HE LYS 32 -8.571 0.485 6.428
239 HZ1 LYS 32 3HZ LYS 32 -8.066 2.650 7.429
240 HZ2 LYS 32 1HZ LYS 32 -8.911 3.442 6.283
241 HZ3 LYS 32 2HZ LYS 32 -7.538 2.645 5.887
242 H HIS 33 H HIS 33 -9.998 -1.924 0.186
243 HA HIS 33 HA HIS 33 -11.452 -0.342 -1.896
244 HB2 HIS 33 1HB HIS 33 -8.816 -1.817 -2.239
245 HB3 HIS 33 2HB HIS 33 -9.729 -1.023 -3.512
246 HD1 HIS 33 1HD HIS 33 -10.250 1.812 -2.571
247 HD2 HIS 33 2HD HIS 33 -6.791 -0.368 -1.614
248 HE1 HIS 33 1HE HIS 33 -8.493 3.541 -1.966
249 H SER 34 H SER 34 -12.048 -1.572 -3.813
250 HA SER 34 HA SER 34 -13.220 -4.194 -3.233
251 HB2 SER 34 1HB SER 34 -13.082 -2.579 -5.809
252 HB3 SER 34 2HB SER 34 -14.033 -4.054 -5.546
253 HG SER 34 HG SER 34 -15.276 -2.133 -5.245
254 H ASN 35 H ASN 35 -11.582 -5.655 -2.882
255 HA ASN 35 HA ASN 35 -9.259 -5.833 -4.628
256 HB2 ASN 35 1HB ASN 35 -9.218 -6.087 -2.127
257 HB3 ASN 35 2HB ASN 35 -10.099 -7.606 -2.304
258 HD21 ASN 35 1HD2 ASN 35 -8.326 -8.774 -1.337
259 HD22 ASN 35 2HD2 ASN 35 -6.833 -9.021 -2.229
260 H ILE 36 H ILE 36 -11.239 -6.176 -6.324
261 HA ILE 36 HA ILE 36 -11.260 -9.043 -7.108
262 HB ILE 36 HB ILE 36 -13.702 -8.780 -7.736
263 HG12 ILE 36 1HG1 ILE 36 -15.121 -7.326 -6.395
264 HG13 ILE 36 2HG1 ILE 36 -13.728 -6.525 -5.680
265 HG21 ILE 36 1HG2 ILE 36 -14.473 -9.490 -5.555
266 HG22 ILE 36 2HG2 ILE 36 -12.867 -10.160 -5.866
267 HG23 ILE 36 3HG2 ILE 36 -13.053 -8.776 -4.768
268 HD11 ILE 36 3HD1 ILE 36 -13.181 -5.464 -7.791
269 HD12 ILE 36 1HD1 ILE 36 -14.366 -6.476 -8.663
270 HD13 ILE 36 2HD1 ILE 36 -14.912 -5.248 -7.506
271 H LEU 37 H LEU 37 -12.176 -9.354 -9.319
272 HA LEU 37 HA LEU 37 -10.941 -7.418 -11.207
273 HB2 LEU 37 1HB LEU 37 -11.773 -10.340 -11.474
274 HB3 LEU 37 2HB LEU 37 -11.294 -9.348 -12.827
275 HG LEU 37 HG LEU 37 -9.493 -10.758 -12.233
276 HD11 LEU 37 1HD1 LEU 37 -7.684 -9.174 -11.989
277 HD12 LEU 37 2HD1 LEU 37 -8.776 -7.950 -11.314
278 HD13 LEU 37 3HD1 LEU 37 -8.948 -8.463 -13.008
279 HD21 LEU 37 3HD2 LEU 37 -9.329 -9.496 -9.477
280 HD22 LEU 37 1HD2 LEU 37 -8.317 -10.783 -10.151
281 HD23 LEU 37 2HD2 LEU 37 -10.028 -11.098 -9.819
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 21.798 -3.636 -5.633
2 H2 GLY 1 2H GLY 1 20.468 -2.696 -5.438
3 H3 GLY 1 3H GLY 1 20.750 -3.424 -6.876
4 HA2 GLY 1 1HA GLY 1 20.446 -5.605 -5.912
5 HA3 GLY 1 2HA GLY 1 20.152 -4.822 -4.348
6 H SER 2 H SER 2 18.278 -6.558 -5.391
7 HA SER 2 HA SER 2 16.197 -5.151 -6.879
8 HB2 SER 2 1HB SER 2 14.976 -7.256 -6.653
9 HB3 SER 2 2HB SER 2 16.640 -7.541 -7.195
10 HG SER 2 HG SER 2 16.081 -8.987 -5.527
11 H SER 3 H SER 3 16.881 -5.602 -3.497
12 HA SER 3 HA SER 3 15.780 -5.288 -1.559
13 HB2 SER 3 1HB SER 3 14.250 -3.154 -3.076
14 HB3 SER 3 2HB SER 3 14.368 -3.306 -1.314
15 HG SER 3 HG SER 3 15.904 -1.818 -2.196
16 H GLY 4 H GLY 4 14.617 -7.323 -3.407
17 HA2 GLY 4 1HA GLY 4 11.810 -7.381 -3.380
18 HA3 GLY 4 2HA GLY 4 12.849 -8.803 -3.465
19 H SER 5 H SER 5 10.356 -7.577 -1.824
20 HA SER 5 HA SER 5 9.343 -7.782 0.165
21 HB2 SER 5 1HB SER 5 10.995 -10.299 0.499
22 HB3 SER 5 2HB SER 5 9.506 -9.890 1.368
23 HG SER 5 HG SER 5 9.186 -11.280 -0.463
24 H SER 6 H SER 6 12.002 -6.314 0.142
25 HA SER 6 HA SER 6 12.944 -6.540 2.925
26 HB2 SER 6 1HB SER 6 14.425 -6.122 0.912
27 HB3 SER 6 2HB SER 6 13.739 -4.485 0.844
28 HG SER 6 HG SER 6 15.708 -4.649 2.088
29 H GLY 7 H GLY 7 13.343 -4.288 3.981
30 HA2 GLY 7 1HA GLY 7 10.802 -3.182 4.811
31 HA3 GLY 7 2HA GLY 7 12.405 -2.689 5.358
32 H HIS 8 H HIS 8 11.190 -2.624 2.017
33 HA HIS 8 HA HIS 8 11.687 0.284 1.767
34 HB2 HIS 8 1HB HIS 8 12.439 -1.511 0.083
35 HB3 HIS 8 2HB HIS 8 10.743 -1.667 -0.363
36 HD1 HIS 8 1HD HIS 8 9.699 0.517 -1.719
37 HD2 HIS 8 2HD HIS 8 13.784 0.655 -0.684
38 HE1 HIS 8 1HE HIS 8 10.720 2.410 -3.078
39 H LEU 9 H LEU 9 9.965 1.613 0.700
40 HA LEU 9 HA LEU 9 7.275 1.073 1.779
41 HB2 LEU 9 1HB LEU 9 8.338 3.345 0.063
42 HB3 LEU 9 2HB LEU 9 6.689 3.225 0.671
43 HG LEU 9 HG LEU 9 9.194 3.482 2.394
44 HD11 LEU 9 1HD1 LEU 9 8.321 5.721 2.895
45 HD12 LEU 9 2HD1 LEU 9 6.939 5.446 1.810
46 HD13 LEU 9 3HD1 LEU 9 8.587 5.533 1.153
47 HD21 LEU 9 3HD2 LEU 9 7.510 2.228 3.642
48 HD22 LEU 9 1HD2 LEU 9 6.244 3.391 3.175
49 HD23 LEU 9 2HD2 LEU 9 7.569 3.879 4.256
50 H TYR 10 H TYR 10 5.539 0.456 0.707
51 HA TYR 10 HA TYR 10 5.634 -0.007 -2.242
52 HB2 TYR 10 1HB TYR 10 4.443 -1.778 -0.076
53 HB3 TYR 10 2HB TYR 10 4.048 -1.913 -1.782
54 HD1 TYR 10 1HD TYR 10 6.930 -2.123 0.603
55 HD2 TYR 10 2HD TYR 10 5.384 -3.148 -3.287
56 HE1 TYR 10 1HE TYR 10 8.845 -3.694 0.254
57 HE2 TYR 10 2HE TYR 10 7.290 -4.706 -3.635
58 HH TYR 10 HH TYR 10 9.200 -5.577 -2.778
59 H TYR 11 H TYR 11 3.716 0.463 -3.342
60 HA TYR 11 HA TYR 11 1.946 2.400 -1.907
61 HB2 TYR 11 1HB TYR 11 3.055 2.467 -4.729
62 HB3 TYR 11 2HB TYR 11 1.898 3.609 -4.068
63 HD1 TYR 11 2HD TYR 11 5.411 2.340 -3.686
64 HD2 TYR 11 1HD TYR 11 2.600 5.486 -2.779
65 HE1 TYR 11 2HE TYR 11 7.252 3.707 -2.719
66 HE2 TYR 11 1HE TYR 11 4.449 6.863 -1.844
67 HH TYR 11 HH TYR 11 6.689 6.978 -1.368
68 H CYS 12 H CYS 12 -0.200 2.509 -2.350
69 HA CYS 12 HA CYS 12 -1.590 0.152 -3.113
70 HB2 CYS 12 1HB CYS 12 -2.357 1.842 -1.507
71 HB3 CYS 12 2HB CYS 12 -2.509 3.031 -2.813
72 H SER 13 H SER 13 -2.817 -0.356 -4.877
73 HA SER 13 HA SER 13 -2.020 0.792 -7.484
74 HB2 SER 13 1HB SER 13 -3.742 -1.608 -6.786
75 HB3 SER 13 2HB SER 13 -3.278 -1.116 -8.429
76 HG SER 13 HG SER 13 -1.874 -2.722 -7.581
77 H GLN 14 H GLN 14 -4.591 1.262 -5.263
78 HA GLN 14 HA GLN 14 -6.447 2.262 -7.409
79 HB2 GLN 14 1HB GLN 14 -6.953 1.069 -4.669
80 HB3 GLN 14 2HB GLN 14 -8.165 2.013 -5.523
81 HG2 GLN 14 1HG GLN 14 -8.659 -0.260 -5.936
82 HG3 GLN 14 2HG GLN 14 -8.073 0.438 -7.441
83 HE21 GLN 14 1HE2 GLN 14 -6.779 -1.355 -4.550
84 HE22 GLN 14 2HE2 GLN 14 -5.743 -2.394 -5.518
85 H CYS 15 H CYS 15 -4.593 3.322 -4.619
86 HA CYS 15 HA CYS 15 -5.561 6.070 -5.017
87 HB2 CYS 15 1HB CYS 15 -6.271 6.433 -2.775
88 HB3 CYS 15 2HB CYS 15 -7.137 5.035 -3.388
89 H HIS 16 H HIS 16 -4.421 7.331 -2.918
90 HA HIS 16 HA HIS 16 -1.609 7.319 -3.744
91 HB2 HIS 16 1HB HIS 16 -3.138 9.203 -1.916
92 HB3 HIS 16 2HB HIS 16 -1.520 9.470 -2.562
93 HD1 HIS 16 1HD HIS 16 -1.458 9.622 -5.414
94 HD2 HIS 16 2HD HIS 16 -5.103 10.149 -3.376
95 HE1 HIS 16 1HE HIS 16 -3.037 10.762 -7.059
96 H TYR 17 H TYR 17 -3.109 5.577 -1.348
97 HA TYR 17 HA TYR 17 -1.482 6.050 0.952
98 HB2 TYR 17 1HB TYR 17 -3.660 4.949 1.021
99 HB3 TYR 17 2HB TYR 17 -3.042 3.611 0.060
100 HD1 TYR 17 1HD TYR 17 -2.856 5.277 3.389
101 HD2 TYR 17 2HD TYR 17 -1.789 1.812 1.047
102 HE1 TYR 17 1HE TYR 17 -2.169 4.081 5.464
103 HE2 TYR 17 2HE TYR 17 -1.117 0.618 3.130
104 HH TYR 17 HH TYR 17 -1.337 2.141 6.360
105 H SER 18 H SER 18 0.189 4.839 1.898
106 HA SER 18 HA SER 18 1.536 2.737 0.375
107 HB2 SER 18 1HB SER 18 3.758 3.721 0.558
108 HB3 SER 18 2HB SER 18 2.680 4.766 -0.381
109 HG SER 18 HG SER 18 3.893 5.981 1.121
110 H SER 19 H SER 19 2.990 1.464 1.596
111 HA SER 19 HA SER 19 3.057 1.801 4.540
112 HB2 SER 19 1HB SER 19 1.017 0.392 3.891
113 HB3 SER 19 2HB SER 19 2.163 -0.820 3.295
114 HG SER 19 HG SER 19 1.705 0.108 5.933
115 H ILE 20 H ILE 20 4.672 0.421 5.564
116 HA ILE 20 HA ILE 20 6.993 -0.133 3.845
117 HB ILE 20 HB ILE 20 7.340 0.950 5.985
118 HG12 ILE 20 1HG1 ILE 20 8.600 -1.821 5.846
119 HG13 ILE 20 2HG1 ILE 20 9.076 -0.425 4.878
120 HG21 ILE 20 1HG2 ILE 20 6.556 -1.644 7.376
121 HG22 ILE 20 2HG2 ILE 20 7.069 -0.122 8.126
122 HG23 ILE 20 3HG2 ILE 20 5.518 -0.207 7.300
123 HD11 ILE 20 3HD1 ILE 20 9.668 0.806 6.970
124 HD12 ILE 20 1HD1 ILE 20 9.297 -0.666 7.907
125 HD13 ILE 20 2HD1 ILE 20 10.616 -0.676 6.730
126 H THR 21 H THR 21 7.497 -2.007 3.006
127 HA THR 21 HA THR 21 7.344 -4.077 2.195
128 HB THR 21 HB THR 21 6.954 -6.008 3.400
129 HG1 THR 21 1HG THR 21 5.527 -4.368 5.172
130 HG21 THR 21 3HG2 THR 21 8.941 -4.732 4.225
131 HG22 THR 21 1HG2 THR 21 8.235 -5.835 5.418
132 HG23 THR 21 2HG2 THR 21 7.937 -4.093 5.546
133 H LYS 22 H LYS 22 6.083 -5.266 0.842
134 HA LYS 22 HA LYS 22 3.354 -4.553 0.319
135 HB2 LYS 22 1HB LYS 22 3.363 -6.456 -1.222
136 HB3 LYS 22 2HB LYS 22 4.793 -5.447 -1.407
137 HG2 LYS 22 1HG LYS 22 6.119 -7.100 -0.069
138 HG3 LYS 22 2HG LYS 22 4.680 -8.130 0.045
139 HD2 LYS 22 1HD LYS 22 4.633 -8.351 -2.419
140 HD3 LYS 22 2HD LYS 22 6.047 -7.276 -2.546
141 HE2 LYS 22 1HE LYS 22 7.370 -8.861 -1.159
142 HE3 LYS 22 2HE LYS 22 5.978 -9.941 -1.052
143 HZ1 LYS 22 3HZ LYS 22 6.096 -10.247 -3.456
144 HZ2 LYS 22 1HZ LYS 22 7.546 -10.603 -2.790
145 HZ3 LYS 22 2HZ LYS 22 7.344 -9.196 -3.585
146 H ASN 23 H ASN 23 4.739 -6.855 2.527
147 HA ASN 23 HA ASN 23 2.442 -8.499 2.971
148 HB2 ASN 23 1HB ASN 23 4.862 -9.040 3.487
149 HB3 ASN 23 2HB ASN 23 4.781 -7.902 4.834
150 HD21 ASN 23 1HD2 ASN 23 5.025 -9.397 6.530
151 HD22 ASN 23 2HD2 ASN 23 3.882 -10.704 6.804
152 H CYS 24 H CYS 24 3.319 -5.317 4.271
153 HA CYS 24 HA CYS 24 1.006 -5.369 6.141
154 HB2 CYS 24 1HB CYS 24 3.031 -3.190 5.527
155 HB3 CYS 24 2HB CYS 24 1.754 -3.105 6.743
156 HG CYS 24 HG CYS 24 4.251 -5.282 6.518
157 H LEU 25 H LEU 25 1.989 -3.732 3.084
158 HA LEU 25 HA LEU 25 -0.179 -2.075 2.730
159 HB2 LEU 25 1HB LEU 25 1.835 -2.119 1.297
160 HB3 LEU 25 2HB LEU 25 1.332 -3.678 0.638
161 HG LEU 25 HG LEU 25 -0.672 -2.623 -0.386
162 HD11 LEU 25 1HD1 LEU 25 0.552 -0.017 0.631
163 HD12 LEU 25 2HD1 LEU 25 -1.026 -0.703 1.097
164 HD13 LEU 25 3HD1 LEU 25 -0.767 -0.143 -0.556
165 HD21 LEU 25 3HD2 LEU 25 1.901 -1.212 -1.110
166 HD22 LEU 25 1HD2 LEU 25 0.490 -1.485 -2.155
167 HD23 LEU 25 2HD2 LEU 25 1.466 -2.860 -1.620
168 H LYS 26 H LYS 26 -0.100 -5.581 2.002
169 HA LYS 26 HA LYS 26 -2.482 -5.834 0.566
170 HB2 LYS 26 1HB LYS 26 -2.442 -8.137 1.090
171 HB3 LYS 26 2HB LYS 26 -0.759 -7.614 1.062
172 HG2 LYS 26 1HG LYS 26 -0.935 -7.398 3.626
173 HG3 LYS 26 2HG LYS 26 -2.500 -8.213 3.492
174 HD2 LYS 26 1HD LYS 26 -1.345 -10.142 2.352
175 HD3 LYS 26 2HD LYS 26 0.207 -9.331 2.663
176 HE2 LYS 26 1HE LYS 26 -0.409 -9.290 5.128
177 HE3 LYS 26 2HE LYS 26 -1.836 -10.260 4.735
178 HZ1 LYS 26 3HZ LYS 26 -0.251 -11.957 3.830
179 HZ2 LYS 26 1HZ LYS 26 -0.069 -11.708 5.436
180 HZ3 LYS 26 2HZ LYS 26 1.004 -11.056 4.402
181 H ARG 27 H ARG 27 -2.233 -5.285 4.048
182 HA ARG 27 HA ARG 27 -4.994 -5.980 4.676
183 HB2 ARG 27 1HB ARG 27 -3.021 -4.192 6.176
184 HB3 ARG 27 2HB ARG 27 -4.534 -4.810 6.815
185 HG2 ARG 27 1HG ARG 27 -2.061 -6.426 6.074
186 HG3 ARG 27 2HG ARG 27 -2.690 -6.117 7.686
187 HD2 ARG 27 1HD ARG 27 -3.987 -7.826 5.527
188 HD3 ARG 27 2HD ARG 27 -3.190 -8.396 7.000
189 HE ARG 27 HE ARG 27 -5.214 -6.675 7.877
190 HH11 ARG 27 2HH1 ARG 27 -5.120 -9.744 6.187
191 HH12 ARG 27 1HH1 ARG 27 -6.708 -10.194 6.740
192 HH21 ARG 27 2HH2 ARG 27 -7.236 -7.313 8.534
193 HH22 ARG 27 1HH2 ARG 27 -7.864 -8.855 8.036
194 H HIS 28 H HIS 28 -3.441 -2.939 3.684
195 HA HIS 28 HA HIS 28 -5.808 -1.286 3.977
196 HB2 HIS 28 1HB HIS 28 -3.698 -0.198 3.789
197 HB3 HIS 28 2HB HIS 28 -3.268 -1.073 2.325
198 HD1 HIS 28 1HD HIS 28 -5.380 1.908 3.425
199 HD2 HIS 28 2HD HIS 28 -4.232 -0.225 -0.010
200 HE1 HIS 28 1HE HIS 28 -6.111 3.329 1.453
201 H VAL 29 H VAL 29 -4.493 -3.238 1.257
202 HA VAL 29 HA VAL 29 -6.570 -2.536 -0.598
203 HB VAL 29 HB VAL 29 -4.865 -5.051 -0.569
204 HG11 VAL 29 1HG1 VAL 29 -6.783 -5.201 -2.141
205 HG12 VAL 29 2HG1 VAL 29 -6.313 -3.641 -2.854
206 HG13 VAL 29 3HG1 VAL 29 -5.251 -5.056 -3.006
207 HG21 VAL 29 3HG2 VAL 29 -4.368 -2.346 -1.900
208 HG22 VAL 29 1HG2 VAL 29 -3.421 -3.043 -0.569
209 HG23 VAL 29 2HG2 VAL 29 -3.401 -3.814 -2.152
210 H ILE 30 H ILE 30 -6.301 -5.289 1.678
211 HA ILE 30 HA ILE 30 -8.825 -6.497 1.090
212 HB ILE 30 HB ILE 30 -7.065 -6.447 3.563
213 HG12 ILE 30 1HG1 ILE 30 -7.644 -8.740 1.639
214 HG13 ILE 30 2HG1 ILE 30 -6.346 -7.601 1.346
215 HG21 ILE 30 1HG2 ILE 30 -8.386 -8.385 4.423
216 HG22 ILE 30 2HG2 ILE 30 -9.328 -6.909 4.387
217 HG23 ILE 30 3HG2 ILE 30 -9.566 -8.137 3.123
218 HD11 ILE 30 3HD1 ILE 30 -5.405 -9.543 2.384
219 HD12 ILE 30 1HD1 ILE 30 -5.325 -8.213 3.554
220 HD13 ILE 30 2HD1 ILE 30 -6.559 -9.487 3.721
221 H GLN 31 H GLN 31 -8.009 -3.904 3.454
222 HA GLN 31 HA GLN 31 -10.670 -3.777 4.522
223 HB2 GLN 31 1HB GLN 31 -8.590 -3.205 5.729
224 HB3 GLN 31 2HB GLN 31 -8.378 -1.780 4.701
225 HG2 GLN 31 1HG GLN 31 -10.508 -0.840 5.578
226 HG3 GLN 31 2HG GLN 31 -10.751 -2.293 6.556
227 HE21 GLN 31 1HE2 GLN 31 -9.182 -2.692 8.365
228 HE22 GLN 31 2HE2 GLN 31 -8.318 -1.309 9.025
229 H LYS 32 H LYS 32 -9.009 -1.748 2.078
230 HA LYS 32 HA LYS 32 -11.446 -0.031 1.825
231 HB2 LYS 32 1HB LYS 32 -8.573 0.452 0.941
232 HB3 LYS 32 2HB LYS 32 -9.892 1.610 0.845
233 HG2 LYS 32 1HG LYS 32 -8.663 0.505 3.407
234 HG3 LYS 32 2HG LYS 32 -8.429 2.108 2.717
235 HD2 LYS 32 1HD LYS 32 -10.902 2.555 3.013
236 HD3 LYS 32 2HD LYS 32 -11.047 0.978 3.795
237 HE2 LYS 32 1HE LYS 32 -10.908 2.498 5.571
238 HE3 LYS 32 2HE LYS 32 -9.326 1.724 5.493
239 HZ1 LYS 32 3HZ LYS 32 -9.980 4.412 4.393
240 HZ2 LYS 32 1HZ LYS 32 -8.499 3.717 4.334
241 HZ3 LYS 32 2HZ LYS 32 -9.151 4.134 5.767
242 H HIS 33 H HIS 33 -9.726 -2.369 -0.076
243 HA HIS 33 HA HIS 33 -11.226 -1.532 -2.521
244 HB2 HIS 33 1HB HIS 33 -8.326 -2.401 -2.456
245 HB3 HIS 33 2HB HIS 33 -9.235 -1.813 -3.845
246 HD1 HIS 33 1HD HIS 33 -10.312 0.927 -3.014
247 HD2 HIS 33 2HD HIS 33 -6.637 -0.629 -1.706
248 HE1 HIS 33 1HE HIS 33 -8.917 2.936 -2.336
249 H SER 34 H SER 34 -11.939 -3.656 -0.676
250 HA SER 34 HA SER 34 -11.135 -6.231 -1.468
251 HB2 SER 34 1HB SER 34 -12.421 -5.794 0.559
252 HB3 SER 34 2HB SER 34 -13.839 -5.338 -0.404
253 HG SER 34 HG SER 34 -13.744 -7.577 0.393
254 H ASN 35 H ASN 35 -11.761 -7.713 -2.938
255 HA ASN 35 HA ASN 35 -13.144 -6.859 -5.361
256 HB2 ASN 35 1HB ASN 35 -11.081 -8.271 -5.312
257 HB3 ASN 35 2HB ASN 35 -11.993 -9.558 -4.517
258 HD21 ASN 35 1HD2 ASN 35 -11.988 -7.536 -7.514
259 HD22 ASN 35 2HD2 ASN 35 -12.628 -8.824 -8.522
260 H ILE 36 H ILE 36 -14.286 -8.099 -2.406
261 HA ILE 36 HA ILE 36 -16.347 -9.872 -3.354
262 HB ILE 36 HB ILE 36 -15.961 -8.431 -0.702
263 HG12 ILE 36 1HG1 ILE 36 -15.336 -11.307 -1.543
264 HG13 ILE 36 2HG1 ILE 36 -14.140 -10.028 -1.366
265 HG21 ILE 36 1HG2 ILE 36 -18.326 -9.079 -0.890
266 HG22 ILE 36 2HG2 ILE 36 -17.857 -10.734 -1.345
267 HG23 ILE 36 3HG2 ILE 36 -17.523 -10.096 0.280
268 HD11 ILE 36 3HD1 ILE 36 -15.741 -11.306 0.868
269 HD12 ILE 36 1HD1 ILE 36 -13.999 -11.364 0.582
270 HD13 ILE 36 2HD1 ILE 36 -14.756 -9.835 1.068
271 H LEU 37 H LEU 37 -16.199 -6.454 -3.068
272 HA LEU 37 HA LEU 37 -19.147 -6.105 -3.423
273 HB2 LEU 37 1HB LEU 37 -17.057 -4.123 -2.453
274 HB3 LEU 37 2HB LEU 37 -18.781 -3.810 -2.604
275 HG LEU 37 HG LEU 37 -17.491 -5.795 -0.674
276 HD11 LEU 37 1HD1 LEU 37 -18.232 -4.208 1.043
277 HD12 LEU 37 2HD1 LEU 37 -18.882 -3.126 -0.208
278 HD13 LEU 37 3HD1 LEU 37 -17.133 -3.423 -0.101
279 HD21 LEU 37 3HD2 LEU 37 -20.414 -4.991 -1.022
280 HD22 LEU 37 1HD2 LEU 37 -19.762 -5.948 0.328
281 HD23 LEU 37 2HD2 LEU 37 -19.718 -6.602 -1.311
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 30.789 0.764 4.861
2 H2 GLY 1 2H GLY 1 30.881 2.279 5.481
3 H3 GLY 1 3H GLY 1 31.216 2.023 3.901
4 HA2 GLY 1 1HA GLY 1 28.942 1.376 3.453
5 HA3 GLY 1 2HA GLY 1 28.578 1.651 5.166
6 H SER 2 H SER 2 27.026 2.954 3.484
7 HA SER 2 HA SER 2 27.897 5.815 3.547
8 HB2 SER 2 1HB SER 2 26.496 4.421 1.233
9 HB3 SER 2 2HB SER 2 26.827 6.158 1.356
10 HG SER 2 HG SER 2 28.415 5.050 0.111
11 H SER 3 H SER 3 26.192 7.355 3.624
12 HA SER 3 HA SER 3 24.008 6.690 5.323
13 HB2 SER 3 1HB SER 3 24.403 9.170 3.608
14 HB3 SER 3 2HB SER 3 23.307 9.013 4.994
15 HG SER 3 HG SER 3 25.313 9.987 5.574
16 H GLY 4 H GLY 4 21.757 6.746 5.003
17 HA2 GLY 4 1HA GLY 4 20.409 7.095 2.511
18 HA3 GLY 4 2HA GLY 4 20.698 5.374 2.775
19 H SER 5 H SER 5 18.184 5.845 2.591
20 HA SER 5 HA SER 5 16.751 6.843 4.839
21 HB2 SER 5 1HB SER 5 15.836 4.861 2.720
22 HB3 SER 5 2HB SER 5 14.791 5.809 3.796
23 HG SER 5 HG SER 5 15.037 6.796 1.729
24 H SER 6 H SER 6 15.659 5.866 6.524
25 HA SER 6 HA SER 6 16.846 3.522 7.689
26 HB2 SER 6 1HB SER 6 14.370 5.053 8.560
27 HB3 SER 6 2HB SER 6 15.341 3.950 9.555
28 HG SER 6 HG SER 6 15.901 6.151 9.905
29 H GLY 7 H GLY 7 14.324 3.700 5.426
30 HA2 GLY 7 1HA GLY 7 13.747 0.899 5.464
31 HA3 GLY 7 2HA GLY 7 12.413 1.796 6.201
32 H HIS 8 H HIS 8 11.484 0.601 4.188
33 HA HIS 8 HA HIS 8 11.426 2.476 1.864
34 HB2 HIS 8 1HB HIS 8 11.546 -0.559 1.713
35 HB3 HIS 8 2HB HIS 8 11.341 0.539 0.350
36 HD1 HIS 8 1HD HIS 8 13.573 2.242 -0.085
37 HD2 HIS 8 2HD HIS 8 14.019 -1.114 2.418
38 HE1 HIS 8 1HE HIS 8 16.081 1.851 0.144
39 H LEU 9 H LEU 9 9.511 2.637 0.748
40 HA LEU 9 HA LEU 9 7.070 1.560 2.095
41 HB2 LEU 9 1HB LEU 9 7.557 4.187 0.649
42 HB3 LEU 9 2HB LEU 9 5.963 3.617 1.114
43 HG LEU 9 HG LEU 9 8.209 4.145 3.106
44 HD11 LEU 9 1HD1 LEU 9 6.958 6.186 3.669
45 HD12 LEU 9 2HD1 LEU 9 5.794 5.848 2.367
46 HD13 LEU 9 3HD1 LEU 9 7.489 6.216 1.981
47 HD21 LEU 9 3HD2 LEU 9 6.530 2.553 3.958
48 HD22 LEU 9 1HD2 LEU 9 5.218 3.659 3.489
49 HD23 LEU 9 2HD2 LEU 9 6.367 4.110 4.770
50 H TYR 10 H TYR 10 5.434 0.776 0.957
51 HA TYR 10 HA TYR 10 5.759 0.277 -1.975
52 HB2 TYR 10 1HB TYR 10 4.570 -1.499 0.194
53 HB3 TYR 10 2HB TYR 10 4.501 -1.825 -1.532
54 HD1 TYR 10 2HD TYR 10 6.896 -1.347 1.313
55 HD2 TYR 10 1HD TYR 10 6.294 -2.916 -2.659
56 HE1 TYR 10 2HE TYR 10 9.132 -2.458 1.408
57 HE2 TYR 10 1HE TYR 10 8.504 -4.051 -2.547
58 HH TYR 10 HH TYR 10 10.386 -4.442 -1.295
59 H TYR 11 H TYR 11 4.052 0.823 -3.245
60 HA TYR 11 HA TYR 11 1.941 2.450 -1.937
61 HB2 TYR 11 1HB TYR 11 3.186 2.547 -4.696
62 HB3 TYR 11 2HB TYR 11 1.795 3.503 -4.217
63 HD1 TYR 11 1HD TYR 11 5.408 2.878 -3.371
64 HD2 TYR 11 2HD TYR 11 2.032 5.558 -3.070
65 HE1 TYR 11 1HE TYR 11 6.880 4.622 -2.396
66 HE2 TYR 11 2HE TYR 11 3.521 7.312 -2.114
67 HH TYR 11 HH TYR 11 7.025 6.761 -1.584
68 H CYS 12 H CYS 12 -0.166 2.398 -2.452
69 HA CYS 12 HA CYS 12 -1.432 -0.048 -3.079
70 HB2 CYS 12 1HB CYS 12 -2.297 1.736 -1.647
71 HB3 CYS 12 2HB CYS 12 -2.436 2.819 -3.041
72 H SER 13 H SER 13 -2.823 -0.608 -4.778
73 HA SER 13 HA SER 13 -1.875 0.074 -7.486
74 HB2 SER 13 1HB SER 13 -3.339 -1.782 -8.177
75 HB3 SER 13 2HB SER 13 -2.197 -2.264 -6.914
76 HG SER 13 HG SER 13 -4.259 -3.048 -6.431
77 H GLN 14 H GLN 14 -4.412 1.082 -5.388
78 HA GLN 14 HA GLN 14 -6.052 2.130 -7.681
79 HB2 GLN 14 1HB GLN 14 -6.864 0.680 -5.142
80 HB3 GLN 14 2HB GLN 14 -8.010 1.648 -6.078
81 HG2 GLN 14 1HG GLN 14 -7.671 0.300 -8.063
82 HG3 GLN 14 2HG GLN 14 -6.383 -0.624 -7.292
83 HE21 GLN 14 1HE2 GLN 14 -6.921 -2.265 -5.746
84 HE22 GLN 14 2HE2 GLN 14 -8.598 -2.825 -5.625
85 H CYS 15 H CYS 15 -4.368 3.142 -4.873
86 HA CYS 15 HA CYS 15 -5.404 5.843 -5.269
87 HB2 CYS 15 1HB CYS 15 -6.084 6.259 -3.008
88 HB3 CYS 15 2HB CYS 15 -6.984 4.883 -3.622
89 H HIS 16 H HIS 16 -4.262 7.186 -3.240
90 HA HIS 16 HA HIS 16 -1.422 7.066 -3.974
91 HB2 HIS 16 1HB HIS 16 -1.293 9.283 -3.039
92 HB3 HIS 16 2HB HIS 16 -2.678 9.169 -4.111
93 HD1 HIS 16 1HD HIS 16 -1.896 9.340 -0.325
94 HD2 HIS 16 2HD HIS 16 -5.066 9.718 -3.068
95 HE1 HIS 16 1HE HIS 16 -3.889 10.226 1.003
96 H TYR 17 H TYR 17 -3.041 5.460 -1.590
97 HA TYR 17 HA TYR 17 -1.527 5.982 0.775
98 HB2 TYR 17 1HB TYR 17 -3.687 4.848 0.768
99 HB3 TYR 17 2HB TYR 17 -3.020 3.518 -0.172
100 HD1 TYR 17 1HD TYR 17 -3.128 5.099 3.175
101 HD2 TYR 17 2HD TYR 17 -1.647 1.784 0.841
102 HE1 TYR 17 1HE TYR 17 -2.547 3.881 5.268
103 HE2 TYR 17 2HE TYR 17 -1.061 0.575 2.938
104 HH TYR 17 HH TYR 17 -1.681 1.968 6.180
105 H SER 18 H SER 18 0.141 4.835 1.789
106 HA SER 18 HA SER 18 1.441 2.625 0.435
107 HB2 SER 18 1HB SER 18 3.713 3.517 0.529
108 HB3 SER 18 2HB SER 18 2.690 4.483 -0.537
109 HG SER 18 HG SER 18 2.504 6.040 1.092
110 H SER 19 H SER 19 2.865 1.402 1.746
111 HA SER 19 HA SER 19 3.046 2.042 4.630
112 HB2 SER 19 1HB SER 19 0.917 0.721 4.231
113 HB3 SER 19 2HB SER 19 1.941 -0.642 3.734
114 HG SER 19 HG SER 19 1.313 -0.540 6.030
115 H ILE 20 H ILE 20 4.445 0.398 5.782
116 HA ILE 20 HA ILE 20 6.845 -0.159 4.183
117 HB ILE 20 HB ILE 20 7.946 -0.846 6.148
118 HG12 ILE 20 1HG1 ILE 20 6.336 -2.030 7.463
119 HG13 ILE 20 2HG1 ILE 20 7.081 -0.760 8.402
120 HG21 ILE 20 1HG2 ILE 20 7.913 1.518 5.647
121 HG22 ILE 20 2HG2 ILE 20 6.449 1.755 6.624
122 HG23 ILE 20 3HG2 ILE 20 7.968 1.262 7.395
123 HD11 ILE 20 3HD1 ILE 20 4.763 -0.869 8.989
124 HD12 ILE 20 1HD1 ILE 20 4.997 0.641 8.092
125 HD13 ILE 20 2HD1 ILE 20 4.247 -0.773 7.305
126 H THR 21 H THR 21 7.566 -2.072 3.537
127 HA THR 21 HA THR 21 7.498 -4.104 2.610
128 HB THR 21 HB THR 21 6.813 -6.052 3.673
129 HG1 THR 21 1HG THR 21 5.175 -4.372 5.210
130 HG21 THR 21 3HG2 THR 21 8.704 -4.908 4.814
131 HG22 THR 21 1HG2 THR 21 7.749 -5.940 5.893
132 HG23 THR 21 2HG2 THR 21 7.549 -4.179 5.956
133 H LYS 22 H LYS 22 6.461 -5.327 1.077
134 HA LYS 22 HA LYS 22 3.881 -4.453 0.077
135 HB2 LYS 22 1HB LYS 22 5.791 -5.393 -1.271
136 HB3 LYS 22 2HB LYS 22 5.441 -6.987 -0.589
137 HG2 LYS 22 1HG LYS 22 3.187 -6.940 -1.609
138 HG3 LYS 22 2HG LYS 22 3.474 -5.288 -2.197
139 HD2 LYS 22 1HD LYS 22 5.354 -6.114 -3.593
140 HD3 LYS 22 2HD LYS 22 5.070 -7.765 -2.999
141 HE2 LYS 22 1HE LYS 22 2.770 -7.701 -3.941
142 HE3 LYS 22 2HE LYS 22 3.052 -6.058 -4.529
143 HZ1 LYS 22 3HZ LYS 22 4.571 -8.463 -5.401
144 HZ2 LYS 22 1HZ LYS 22 4.832 -6.944 -5.946
145 HZ3 LYS 22 2HZ LYS 22 3.426 -7.701 -6.280
146 H ASN 23 H ASN 23 4.871 -6.895 2.375
147 HA ASN 23 HA ASN 23 2.523 -8.525 2.369
148 HB2 ASN 23 1HB ASN 23 4.572 -7.976 4.571
149 HB3 ASN 23 2HB ASN 23 3.398 -9.287 4.577
150 HD21 ASN 23 1HD2 ASN 23 3.660 -11.056 3.026
151 HD22 ASN 23 2HD2 ASN 23 5.221 -11.292 2.258
152 H CYS 24 H CYS 24 3.377 -5.665 4.431
153 HA CYS 24 HA CYS 24 0.850 -5.755 5.838
154 HB2 CYS 24 1HB CYS 24 3.052 -4.711 6.625
155 HB3 CYS 24 2HB CYS 24 2.662 -3.338 5.566
156 HG CYS 24 HG CYS 24 0.235 -2.943 6.596
157 H LEU 25 H LEU 25 1.928 -4.026 2.899
158 HA LEU 25 HA LEU 25 -0.196 -2.295 2.532
159 HB2 LEU 25 1HB LEU 25 1.869 -2.312 1.208
160 HB3 LEU 25 2HB LEU 25 1.422 -3.861 0.498
161 HG LEU 25 HG LEU 25 -0.535 -2.792 -0.619
162 HD11 LEU 25 1HD1 LEU 25 0.672 -0.204 0.463
163 HD12 LEU 25 2HD1 LEU 25 -0.928 -0.871 0.868
164 HD13 LEU 25 3HD1 LEU 25 -0.599 -0.314 -0.774
165 HD21 LEU 25 3HD2 LEU 25 1.660 -3.076 -1.732
166 HD22 LEU 25 1HD2 LEU 25 2.111 -1.440 -1.203
167 HD23 LEU 25 2HD2 LEU 25 0.748 -1.682 -2.320
168 H LYS 26 H LYS 26 -0.199 -5.809 1.937
169 HA LYS 26 HA LYS 26 -2.602 -6.051 0.432
170 HB2 LYS 26 1HB LYS 26 -1.591 -7.905 2.641
171 HB3 LYS 26 2HB LYS 26 -2.778 -8.322 1.418
172 HG2 LYS 26 1HG LYS 26 0.172 -7.740 0.985
173 HG3 LYS 26 2HG LYS 26 -0.629 -9.293 0.867
174 HD2 LYS 26 1HD LYS 26 -1.026 -6.932 -1.024
175 HD3 LYS 26 2HD LYS 26 -0.095 -8.397 -1.339
176 HE2 LYS 26 1HE LYS 26 -2.178 -9.764 -1.051
177 HE3 LYS 26 2HE LYS 26 -3.106 -8.274 -0.839
178 HZ1 LYS 26 3HZ LYS 26 -1.579 -9.007 -3.284
179 HZ2 LYS 26 1HZ LYS 26 -2.420 -7.618 -3.096
180 HZ3 LYS 26 2HZ LYS 26 -3.200 -9.051 -3.135
181 H ARG 27 H ARG 27 -2.223 -5.481 3.911
182 HA ARG 27 HA ARG 27 -4.946 -6.056 4.684
183 HB2 ARG 27 1HB ARG 27 -2.916 -4.174 5.973
184 HB3 ARG 27 2HB ARG 27 -4.382 -4.786 6.734
185 HG2 ARG 27 1HG ARG 27 -3.530 -7.072 6.727
186 HG3 ARG 27 2HG ARG 27 -2.129 -6.604 5.756
187 HD2 ARG 27 1HD ARG 27 -1.390 -6.823 8.015
188 HD3 ARG 27 2HD ARG 27 -1.345 -5.115 7.554
189 HE ARG 27 HE ARG 27 -3.783 -6.033 8.957
190 HH11 ARG 27 2HH1 ARG 27 -0.658 -4.498 9.392
191 HH12 ARG 27 1HH1 ARG 27 -1.092 -3.860 10.953
192 HH21 ARG 27 2HH2 ARG 27 -4.262 -5.183 10.955
193 HH22 ARG 27 1HH2 ARG 27 -3.078 -4.234 11.803
194 H HIS 28 H HIS 28 -3.393 -3.054 3.549
195 HA HIS 28 HA HIS 28 -5.708 -1.354 3.838
196 HB2 HIS 28 1HB HIS 28 -3.581 -0.330 3.549
197 HB3 HIS 28 2HB HIS 28 -3.230 -1.247 2.087
198 HD1 HIS 28 1HD HIS 28 -5.255 1.799 3.201
199 HD2 HIS 28 2HD HIS 28 -4.252 -0.417 -0.223
200 HE1 HIS 28 1HE HIS 28 -6.079 3.167 1.231
201 H VAL 29 H VAL 29 -4.543 -3.364 1.065
202 HA VAL 29 HA VAL 29 -6.717 -2.606 -0.662
203 HB VAL 29 HB VAL 29 -4.996 -5.104 -0.773
204 HG11 VAL 29 1HG1 VAL 29 -5.553 -5.072 -3.203
205 HG12 VAL 29 2HG1 VAL 29 -6.980 -5.349 -2.208
206 HG13 VAL 29 3HG1 VAL 29 -6.695 -3.742 -2.913
207 HG21 VAL 29 3HG2 VAL 29 -4.665 -2.388 -2.130
208 HG22 VAL 29 1HG2 VAL 29 -3.609 -3.057 -0.867
209 HG23 VAL 29 2HG2 VAL 29 -3.677 -3.827 -2.450
210 H ILE 30 H ILE 30 -6.384 -5.288 1.656
211 HA ILE 30 HA ILE 30 -8.894 -6.563 1.117
212 HB ILE 30 HB ILE 30 -7.081 -6.461 3.549
213 HG12 ILE 30 1HG1 ILE 30 -7.662 -8.787 1.671
214 HG13 ILE 30 2HG1 ILE 30 -6.394 -7.630 1.327
215 HG21 ILE 30 1HG2 ILE 30 -9.563 -8.196 3.177
216 HG22 ILE 30 2HG2 ILE 30 -8.351 -8.412 4.455
217 HG23 ILE 30 3HG2 ILE 30 -9.321 -6.953 4.426
218 HD11 ILE 30 3HD1 ILE 30 -6.513 -9.478 3.742
219 HD12 ILE 30 1HD1 ILE 30 -5.395 -9.544 2.372
220 HD13 ILE 30 2HD1 ILE 30 -5.303 -8.192 3.517
221 H GLN 31 H GLN 31 -8.070 -3.939 3.437
222 HA GLN 31 HA GLN 31 -10.817 -3.927 4.469
223 HB2 GLN 31 1HB GLN 31 -8.318 -2.361 5.190
224 HB3 GLN 31 2HB GLN 31 -9.868 -2.201 6.023
225 HG2 GLN 31 1HG GLN 31 -9.833 -4.573 6.661
226 HG3 GLN 31 2HG GLN 31 -8.308 -4.815 5.812
227 HE21 GLN 31 1HE2 GLN 31 -8.070 -5.612 8.290
228 HE22 GLN 31 2HE2 GLN 31 -7.327 -4.397 9.323
229 H LYS 32 H LYS 32 -8.921 -1.747 2.391
230 HA LYS 32 HA LYS 32 -11.039 0.347 2.611
231 HB2 LYS 32 1HB LYS 32 -8.193 0.614 1.591
232 HB3 LYS 32 2HB LYS 32 -9.321 1.915 1.943
233 HG2 LYS 32 1HG LYS 32 -8.041 0.042 3.981
234 HG3 LYS 32 2HG LYS 32 -7.651 1.735 3.695
235 HD2 LYS 32 1HD LYS 32 -9.931 2.400 4.429
236 HD3 LYS 32 2HD LYS 32 -10.312 0.698 4.770
237 HE2 LYS 32 1HE LYS 32 -8.436 0.589 6.385
238 HE3 LYS 32 2HE LYS 32 -8.046 2.282 6.054
239 HZ1 LYS 32 3HZ LYS 32 -10.244 2.890 6.914
240 HZ2 LYS 32 1HZ LYS 32 -9.414 2.062 8.048
241 HZ3 LYS 32 2HZ LYS 32 -10.611 1.326 7.219
242 H HIS 33 H HIS 33 -10.108 -1.973 0.313
243 HA HIS 33 HA HIS 33 -11.611 -0.466 -1.782
244 HB2 HIS 33 1HB HIS 33 -9.161 -2.205 -2.221
245 HB3 HIS 33 2HB HIS 33 -10.176 -1.528 -3.494
246 HD1 HIS 33 1HD HIS 33 -10.384 1.396 -3.137
247 HD2 HIS 33 2HD HIS 33 -7.046 -0.763 -1.778
248 HE1 HIS 33 1HE HIS 33 -8.536 3.104 -2.849
249 H SER 34 H SER 34 -13.011 -1.568 -3.055
250 HA SER 34 HA SER 34 -13.783 -4.331 -2.230
251 HB2 SER 34 1HB SER 34 -16.049 -3.671 -2.964
252 HB3 SER 34 2HB SER 34 -15.421 -2.650 -1.661
253 HG SER 34 HG SER 34 -16.390 -1.416 -3.351
254 H ASN 35 H ASN 35 -11.995 -3.096 -4.568
255 HA ASN 35 HA ASN 35 -12.904 -4.940 -6.705
256 HB2 ASN 35 1HB ASN 35 -13.893 -2.687 -7.119
257 HB3 ASN 35 2HB ASN 35 -12.286 -1.962 -7.029
258 HD21 ASN 35 2HD2 ASN 35 -14.092 -4.519 -8.850
259 HD22 ASN 35 1HD2 ASN 35 -13.267 -4.175 -10.362
260 H ILE 36 H ILE 36 -11.200 -5.215 -8.386
261 HA ILE 36 HA ILE 36 -8.424 -4.699 -7.517
262 HB ILE 36 HB ILE 36 -7.662 -6.889 -8.005
263 HG12 ILE 36 1HG1 ILE 36 -9.143 -7.715 -9.709
264 HG13 ILE 36 2HG1 ILE 36 -9.003 -8.849 -8.386
265 HG21 ILE 36 1HG2 ILE 36 -9.926 -7.069 -5.987
266 HG22 ILE 36 2HG2 ILE 36 -8.501 -8.120 -6.089
267 HG23 ILE 36 3HG2 ILE 36 -8.308 -6.401 -5.704
268 HD11 ILE 36 3HD1 ILE 36 -11.272 -8.854 -9.163
269 HD12 ILE 36 1HD1 ILE 36 -11.270 -8.116 -7.553
270 HD13 ILE 36 2HD1 ILE 36 -11.415 -7.102 -9.013
271 H LEU 37 H LEU 37 -6.880 -4.713 -9.172
272 HA LEU 37 HA LEU 37 -7.917 -4.349 -11.955
273 HB2 LEU 37 1HB LEU 37 -5.741 -2.779 -10.518
274 HB3 LEU 37 2HB LEU 37 -6.178 -2.601 -12.209
275 HG LEU 37 HG LEU 37 -7.981 -1.934 -9.839
276 HD11 LEU 37 1HD1 LEU 37 -7.618 0.389 -10.569
277 HD12 LEU 37 2HD1 LEU 37 -6.522 -0.168 -11.851
278 HD13 LEU 37 3HD1 LEU 37 -6.084 -0.388 -10.141
279 HD21 LEU 37 3HD2 LEU 37 -8.411 -1.543 -12.838
280 HD22 LEU 37 1HD2 LEU 37 -9.438 -0.871 -11.549
281 HD23 LEU 37 2HD2 LEU 37 -9.343 -2.618 -11.771
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 25.474 8.358 8.641
2 H2 GLY 1 2H GLY 1 26.259 8.688 10.040
3 H3 GLY 1 3H GLY 1 24.691 8.212 10.072
4 HA2 GLY 1 1HA GLY 1 26.974 6.556 9.204
5 HA3 GLY 1 2HA GLY 1 26.111 6.393 10.744
6 H SER 2 H SER 2 25.663 4.189 10.163
7 HA SER 2 HA SER 2 23.166 3.871 8.619
8 HB2 SER 2 1HB SER 2 24.904 3.452 6.939
9 HB3 SER 2 2HB SER 2 25.687 2.274 8.010
10 HG SER 2 HG SER 2 24.242 1.376 6.378
11 H SER 3 H SER 3 21.932 2.133 9.249
12 HA SER 3 HA SER 3 22.555 0.814 11.810
13 HB2 SER 3 1HB SER 3 20.117 0.580 10.009
14 HB3 SER 3 2HB SER 3 20.273 -0.052 11.659
15 HG SER 3 HG SER 3 19.201 1.982 11.607
16 H GLY 4 H GLY 4 23.344 0.093 8.615
17 HA2 GLY 4 1HA GLY 4 24.266 -1.790 7.661
18 HA3 GLY 4 2HA GLY 4 24.114 -2.641 9.198
19 H SER 5 H SER 5 21.155 -1.328 8.038
20 HA SER 5 HA SER 5 20.294 -3.651 6.463
21 HB2 SER 5 1HB SER 5 19.991 -4.296 8.893
22 HB3 SER 5 2HB SER 5 18.845 -2.950 9.049
23 HG SER 5 HG SER 5 17.838 -4.986 8.555
24 H SER 6 H SER 6 18.062 -3.307 5.614
25 HA SER 6 HA SER 6 17.207 -0.471 5.391
26 HB2 SER 6 1HB SER 6 17.319 -0.550 2.937
27 HB3 SER 6 2HB SER 6 18.915 -0.718 3.679
28 HG SER 6 HG SER 6 18.581 -2.232 1.980
29 H GLY 7 H GLY 7 15.253 -0.164 4.135
30 HA2 GLY 7 1HA GLY 7 13.478 -2.354 3.474
31 HA3 GLY 7 2HA GLY 7 12.983 -1.503 4.944
32 H HIS 8 H HIS 8 11.359 -1.524 2.671
33 HA HIS 8 HA HIS 8 11.561 1.250 1.574
34 HB2 HIS 8 1HB HIS 8 11.080 -1.289 -0.027
35 HB3 HIS 8 2HB HIS 8 11.050 0.353 -0.660
36 HD1 HIS 8 1HD HIS 8 13.553 1.681 -0.520
37 HD2 HIS 8 2HD HIS 8 13.417 -2.493 0.007
38 HE1 HIS 8 1HE HIS 8 15.939 0.844 -0.835
39 H LEU 9 H LEU 9 9.716 2.198 0.808
40 HA LEU 9 HA LEU 9 7.114 1.305 1.861
41 HB2 LEU 9 1HB LEU 9 8.062 3.713 0.258
42 HB3 LEU 9 2HB LEU 9 6.363 3.422 0.585
43 HG LEU 9 HG LEU 9 8.419 3.713 2.812
44 HD11 LEU 9 1HD1 LEU 9 7.578 6.020 3.051
45 HD12 LEU 9 2HD1 LEU 9 6.571 5.813 1.600
46 HD13 LEU 9 3HD1 LEU 9 8.342 5.780 1.472
47 HD21 LEU 9 3HD2 LEU 9 5.370 3.950 2.772
48 HD22 LEU 9 1HD2 LEU 9 6.421 4.200 4.183
49 HD23 LEU 9 2HD2 LEU 9 6.295 2.599 3.453
50 H TYR 10 H TYR 10 5.445 0.557 0.702
51 HA TYR 10 HA TYR 10 5.679 0.238 -2.258
52 HB2 TYR 10 1HB TYR 10 4.432 -1.696 -0.270
53 HB3 TYR 10 2HB TYR 10 4.347 -1.829 -2.023
54 HD1 TYR 10 1HD TYR 10 6.584 -2.056 0.914
55 HD2 TYR 10 2HD TYR 10 6.270 -2.548 -3.355
56 HE1 TYR 10 1HE TYR 10 8.777 -3.252 0.893
57 HE2 TYR 10 2HE TYR 10 8.452 -3.758 -3.374
58 HH TYR 10 HH TYR 10 10.339 -4.340 -0.383
59 H TYR 11 H TYR 11 3.845 0.736 -3.426
60 HA TYR 11 HA TYR 11 1.911 2.478 -1.972
61 HB2 TYR 11 1HB TYR 11 3.091 2.635 -4.759
62 HB3 TYR 11 2HB TYR 11 1.756 3.629 -4.204
63 HD1 TYR 11 1HD TYR 11 5.345 2.785 -3.400
64 HD2 TYR 11 2HD TYR 11 2.140 5.662 -3.084
65 HE1 TYR 11 1HE TYR 11 6.913 4.424 -2.377
66 HE2 TYR 11 2HE TYR 11 3.719 7.306 -2.093
67 HH TYR 11 HH TYR 11 5.868 7.709 -1.398
68 H CYS 12 H CYS 12 -0.222 2.505 -2.419
69 HA CYS 12 HA CYS 12 -1.538 0.102 -3.160
70 HB2 CYS 12 1HB CYS 12 -2.320 1.772 -1.547
71 HB3 CYS 12 2HB CYS 12 -2.523 2.956 -2.846
72 H SER 13 H SER 13 -2.814 -0.430 -4.886
73 HA SER 13 HA SER 13 -2.071 0.684 -7.521
74 HB2 SER 13 1HB SER 13 -3.798 -1.694 -6.759
75 HB3 SER 13 2HB SER 13 -3.356 -1.231 -8.414
76 HG SER 13 HG SER 13 -1.948 -2.834 -7.569
77 H GLN 14 H GLN 14 -4.609 1.175 -5.257
78 HA GLN 14 HA GLN 14 -6.483 2.188 -7.381
79 HB2 GLN 14 1HB GLN 14 -6.970 0.981 -4.644
80 HB3 GLN 14 2HB GLN 14 -8.183 1.939 -5.478
81 HG2 GLN 14 1HG GLN 14 -8.705 -0.320 -5.909
82 HG3 GLN 14 2HG GLN 14 -8.114 0.377 -7.413
83 HE21 GLN 14 1HE2 GLN 14 -6.834 -1.444 -4.532
84 HE22 GLN 14 2HE2 GLN 14 -5.818 -2.494 -5.509
85 H CYS 15 H CYS 15 -4.590 3.240 -4.614
86 HA CYS 15 HA CYS 15 -5.569 5.987 -4.993
87 HB2 CYS 15 1HB CYS 15 -6.240 6.345 -2.738
88 HB3 CYS 15 2HB CYS 15 -7.117 4.951 -3.342
89 H HIS 16 H HIS 16 -4.401 7.279 -2.955
90 HA HIS 16 HA HIS 16 -1.590 7.231 -3.774
91 HB2 HIS 16 1HB HIS 16 -3.087 9.149 -1.956
92 HB3 HIS 16 2HB HIS 16 -1.484 9.401 -2.644
93 HD1 HIS 16 1HD HIS 16 -4.896 10.428 -3.334
94 HD2 HIS 16 2HD HIS 16 -1.587 9.147 -5.600
95 HE1 HIS 16 1HE HIS 16 -5.311 11.229 -5.719
96 H TYR 17 H TYR 17 -3.098 5.527 -1.358
97 HA TYR 17 HA TYR 17 -1.480 5.988 0.945
98 HB2 TYR 17 1HB TYR 17 -3.637 4.845 0.992
99 HB3 TYR 17 2HB TYR 17 -2.998 3.541 0.000
100 HD1 TYR 17 1HD TYR 17 -3.005 5.048 3.383
101 HD2 TYR 17 2HD TYR 17 -1.578 1.798 0.930
102 HE1 TYR 17 1HE TYR 17 -2.359 3.784 5.430
103 HE2 TYR 17 2HE TYR 17 -0.923 0.540 2.982
104 HH TYR 17 HH TYR 17 -1.461 1.854 6.271
105 H SER 18 H SER 18 0.255 4.863 1.849
106 HA SER 18 HA SER 18 1.515 2.676 0.397
107 HB2 SER 18 1HB SER 18 3.777 3.620 0.456
108 HB3 SER 18 2HB SER 18 2.687 4.582 -0.552
109 HG SER 18 HG SER 18 3.910 5.950 0.766
110 H SER 19 H SER 19 2.934 1.403 1.628
111 HA SER 19 HA SER 19 3.339 2.007 4.483
112 HB2 SER 19 1HB SER 19 1.128 0.819 4.326
113 HB3 SER 19 2HB SER 19 1.985 -0.597 3.684
114 HG SER 19 HG SER 19 1.596 -0.389 6.084
115 H ILE 20 H ILE 20 4.904 0.537 5.498
116 HA ILE 20 HA ILE 20 6.988 -0.278 3.587
117 HB ILE 20 HB ILE 20 8.349 -0.832 5.563
118 HG12 ILE 20 1HG1 ILE 20 6.098 0.423 7.205
119 HG13 ILE 20 2HG1 ILE 20 6.533 -1.287 7.207
120 HG21 ILE 20 1HG2 ILE 20 8.386 1.369 4.361
121 HG22 ILE 20 2HG2 ILE 20 7.281 2.018 5.597
122 HG23 ILE 20 3HG2 ILE 20 8.909 1.468 6.040
123 HD11 ILE 20 3HD1 ILE 20 7.489 -0.270 9.154
124 HD12 ILE 20 1HD1 ILE 20 8.812 -0.691 8.048
125 HD13 ILE 20 2HD1 ILE 20 8.267 1.000 8.201
126 H THR 21 H THR 21 7.579 -2.247 3.048
127 HA THR 21 HA THR 21 7.398 -4.416 2.492
128 HB THR 21 HB THR 21 6.311 -4.917 5.272
129 HG1 THR 21 1HG THR 21 8.472 -5.293 5.737
130 HG21 THR 21 3HG2 THR 21 5.998 -6.901 3.875
131 HG22 THR 21 1HG2 THR 21 7.360 -7.158 4.962
132 HG23 THR 21 2HG2 THR 21 7.662 -6.767 3.255
133 H LYS 22 H LYS 22 6.146 -5.620 1.218
134 HA LYS 22 HA LYS 22 3.568 -4.713 0.487
135 HB2 LYS 22 1HB LYS 22 4.954 -7.363 -0.110
136 HB3 LYS 22 2HB LYS 22 3.479 -6.788 -0.905
137 HG2 LYS 22 1HG LYS 22 4.681 -4.785 -1.737
138 HG3 LYS 22 2HG LYS 22 6.158 -5.333 -0.937
139 HD2 LYS 22 1HD LYS 22 6.327 -5.866 -3.262
140 HD3 LYS 22 2HD LYS 22 6.173 -7.376 -2.354
141 HE2 LYS 22 1HE LYS 22 3.759 -7.483 -2.947
142 HE3 LYS 22 2HE LYS 22 3.896 -5.944 -3.807
143 HZ1 LYS 22 3HZ LYS 22 4.051 -7.829 -5.330
144 HZ2 LYS 22 1HZ LYS 22 5.342 -8.437 -4.538
145 HZ3 LYS 22 2HZ LYS 22 5.465 -7.015 -5.335
146 H ASN 23 H ASN 23 4.384 -7.298 2.745
147 HA ASN 23 HA ASN 23 1.788 -8.445 3.016
148 HB2 ASN 23 1HB ASN 23 3.942 -9.452 3.798
149 HB3 ASN 23 2HB ASN 23 4.041 -8.227 5.068
150 HD21 ASN 23 1HD2 ASN 23 2.196 -11.064 3.923
151 HD22 ASN 23 2HD2 ASN 23 1.435 -11.360 5.479
152 H CYS 24 H CYS 24 3.009 -5.384 4.283
153 HA CYS 24 HA CYS 24 0.690 -5.050 6.098
154 HB2 CYS 24 1HB CYS 24 3.003 -3.213 5.385
155 HB3 CYS 24 2HB CYS 24 1.748 -2.872 6.586
156 HG CYS 24 HG CYS 24 4.048 -3.604 7.719
157 H LEU 25 H LEU 25 1.915 -3.665 2.991
158 HA LEU 25 HA LEU 25 -0.201 -1.934 2.473
159 HB2 LEU 25 1HB LEU 25 1.871 -1.981 1.166
160 HB3 LEU 25 2HB LEU 25 1.486 -3.598 0.571
161 HG LEU 25 HG LEU 25 -0.517 -2.683 -0.622
162 HD11 LEU 25 1HD1 LEU 25 0.601 0.018 0.255
163 HD12 LEU 25 2HD1 LEU 25 -0.969 -0.678 0.729
164 HD13 LEU 25 3HD1 LEU 25 -0.679 -0.235 -0.951
165 HD21 LEU 25 3HD2 LEU 25 2.071 -1.291 -1.323
166 HD22 LEU 25 1HD2 LEU 25 0.711 -1.640 -2.409
167 HD23 LEU 25 2HD2 LEU 25 1.666 -2.970 -1.741
168 H LYS 26 H LYS 26 0.005 -5.437 1.754
169 HA LYS 26 HA LYS 26 -2.382 -5.799 0.322
170 HB2 LYS 26 1HB LYS 26 -0.570 -7.475 0.737
171 HB3 LYS 26 2HB LYS 26 -1.160 -7.684 2.393
172 HG2 LYS 26 1HG LYS 26 -3.334 -8.493 1.511
173 HG3 LYS 26 2HG LYS 26 -2.773 -8.217 -0.149
174 HD2 LYS 26 1HD LYS 26 -0.962 -9.886 0.196
175 HD3 LYS 26 2HD LYS 26 -1.532 -10.155 1.859
176 HE2 LYS 26 1HE LYS 26 -3.741 -10.883 0.981
177 HE3 LYS 26 2HE LYS 26 -3.178 -10.609 -0.673
178 HZ1 LYS 26 3HZ LYS 26 -2.977 -12.945 -0.048
179 HZ2 LYS 26 1HZ LYS 26 -2.011 -12.587 1.216
180 HZ3 LYS 26 2HZ LYS 26 -1.490 -12.332 -0.312
181 H ARG 27 H ARG 27 -2.043 -5.339 3.808
182 HA ARG 27 HA ARG 27 -4.735 -6.139 4.538
183 HB2 ARG 27 1HB ARG 27 -2.907 -4.226 6.053
184 HB3 ARG 27 2HB ARG 27 -4.223 -5.201 6.711
185 HG2 ARG 27 1HG ARG 27 -2.943 -7.276 6.244
186 HG3 ARG 27 2HG ARG 27 -1.657 -6.315 5.501
187 HD2 ARG 27 1HD ARG 27 -1.433 -5.087 7.724
188 HD3 ARG 27 2HD ARG 27 -2.449 -6.373 8.412
189 HE ARG 27 HE ARG 27 -0.201 -7.411 6.865
190 HH11 ARG 27 2HH1 ARG 27 -0.911 -6.063 10.026
191 HH12 ARG 27 1HH1 ARG 27 0.465 -6.835 10.764
192 HH21 ARG 27 2HH2 ARG 27 1.516 -8.408 7.887
193 HH22 ARG 27 1HH2 ARG 27 1.797 -8.113 9.580
194 H HIS 28 H HIS 28 -3.284 -2.981 3.701
195 HA HIS 28 HA HIS 28 -5.696 -1.417 4.005
196 HB2 HIS 28 1HB HIS 28 -3.647 -0.236 3.841
197 HB3 HIS 28 2HB HIS 28 -3.150 -1.085 2.386
198 HD1 HIS 28 1HD HIS 28 -5.295 1.867 3.444
199 HD2 HIS 28 2HD HIS 28 -4.187 -0.310 0.025
200 HE1 HIS 28 1HE HIS 28 -6.071 3.251 1.465
201 H VAL 29 H VAL 29 -4.334 -3.228 1.196
202 HA VAL 29 HA VAL 29 -6.443 -2.518 -0.604
203 HB VAL 29 HB VAL 29 -4.645 -4.965 -0.660
204 HG11 VAL 29 1HG1 VAL 29 -6.581 -5.308 -2.141
205 HG12 VAL 29 2HG1 VAL 29 -6.345 -3.694 -2.850
206 HG13 VAL 29 3HG1 VAL 29 -5.138 -4.976 -3.099
207 HG21 VAL 29 3HG2 VAL 29 -4.406 -2.260 -2.064
208 HG22 VAL 29 1HG2 VAL 29 -3.373 -2.826 -0.739
209 HG23 VAL 29 2HG2 VAL 29 -3.328 -3.654 -2.293
210 H ILE 30 H ILE 30 -6.167 -5.329 1.599
211 HA ILE 30 HA ILE 30 -8.673 -6.545 0.961
212 HB ILE 30 HB ILE 30 -6.943 -6.526 3.457
213 HG12 ILE 30 1HG1 ILE 30 -7.509 -8.789 1.501
214 HG13 ILE 30 2HG1 ILE 30 -6.195 -7.662 1.248
215 HG21 ILE 30 1HG2 ILE 30 -9.447 -8.204 2.977
216 HG22 ILE 30 2HG2 ILE 30 -8.280 -8.468 4.288
217 HG23 ILE 30 3HG2 ILE 30 -9.217 -6.991 4.258
218 HD11 ILE 30 3HD1 ILE 30 -6.473 -9.556 3.618
219 HD12 ILE 30 1HD1 ILE 30 -5.328 -9.660 2.281
220 HD13 ILE 30 2HD1 ILE 30 -5.200 -8.324 3.442
221 H GLN 31 H GLN 31 -7.906 -4.005 3.387
222 HA GLN 31 HA GLN 31 -10.609 -3.993 4.434
223 HB2 GLN 31 1HB GLN 31 -8.160 -2.263 4.898
224 HB3 GLN 31 2HB GLN 31 -9.690 -2.014 5.748
225 HG2 GLN 31 1HG GLN 31 -9.621 -4.227 6.732
226 HG3 GLN 31 2HG GLN 31 -8.202 -4.674 5.795
227 HE21 GLN 31 1HE2 GLN 31 -7.634 -5.175 8.239
228 HE22 GLN 31 2HE2 GLN 31 -6.778 -3.873 9.051
229 H LYS 32 H LYS 32 -8.920 -1.870 2.127
230 HA LYS 32 HA LYS 32 -11.228 0.035 2.163
231 HB2 LYS 32 1HB LYS 32 -8.388 0.428 1.152
232 HB3 LYS 32 2HB LYS 32 -9.628 1.665 1.297
233 HG2 LYS 32 1HG LYS 32 -8.291 0.179 3.601
234 HG3 LYS 32 2HG LYS 32 -8.019 1.848 3.105
235 HD2 LYS 32 1HD LYS 32 -10.385 2.402 3.666
236 HD3 LYS 32 2HD LYS 32 -10.623 0.737 4.243
237 HE2 LYS 32 1HE LYS 32 -8.803 1.040 5.899
238 HE3 LYS 32 2HE LYS 32 -8.559 2.698 5.333
239 HZ1 LYS 32 3HZ LYS 32 -11.066 1.678 6.566
240 HZ2 LYS 32 1HZ LYS 32 -10.835 3.208 6.044
241 HZ3 LYS 32 2HZ LYS 32 -9.974 2.637 7.306
242 H HIS 33 H HIS 33 -9.926 -2.318 0.014
243 HA HIS 33 HA HIS 33 -11.447 -1.119 -2.264
244 HB2 HIS 33 1HB HIS 33 -8.668 -2.332 -2.433
245 HB3 HIS 33 2HB HIS 33 -9.601 -1.655 -3.763
246 HD1 HIS 33 1HD HIS 33 -10.352 1.166 -2.953
247 HD2 HIS 33 2HD HIS 33 -6.807 -0.702 -1.698
248 HE1 HIS 33 1HE HIS 33 -8.778 3.044 -2.301
249 H SER 34 H SER 34 -11.785 -2.654 -4.079
250 HA SER 34 HA SER 34 -11.587 -5.515 -3.568
251 HB2 SER 34 1HB SER 34 -13.718 -4.938 -2.395
252 HB3 SER 34 2HB SER 34 -14.354 -4.292 -3.922
253 HG SER 34 HG SER 34 -14.973 -6.478 -3.577
254 H ASN 35 H ASN 35 -12.004 -6.770 -5.405
255 HA ASN 35 HA ASN 35 -12.525 -5.407 -8.005
256 HB2 ASN 35 1HB ASN 35 -10.355 -7.481 -7.444
257 HB3 ASN 35 2HB ASN 35 -10.816 -6.919 -9.049
258 HD21 ASN 35 1HD2 ASN 35 -10.474 -4.596 -9.575
259 HD22 ASN 35 2HD2 ASN 35 -9.176 -3.761 -8.736
260 H ILE 36 H ILE 36 -13.989 -7.266 -5.919
261 HA ILE 36 HA ILE 36 -15.104 -9.221 -7.874
262 HB ILE 36 HB ILE 36 -15.139 -10.943 -6.114
263 HG12 ILE 36 1HG1 ILE 36 -13.278 -9.114 -4.526
264 HG13 ILE 36 2HG1 ILE 36 -14.968 -9.428 -4.129
265 HG21 ILE 36 1HG2 ILE 36 -13.364 -10.816 -7.880
266 HG22 ILE 36 2HG2 ILE 36 -12.303 -10.008 -6.704
267 HG23 ILE 36 3HG2 ILE 36 -12.862 -11.668 -6.419
268 HD11 ILE 36 3HD1 ILE 36 -13.581 -10.806 -2.730
269 HD12 ILE 36 1HD1 ILE 36 -14.434 -11.861 -3.874
270 HD13 ILE 36 2HD1 ILE 36 -12.713 -11.469 -4.121
271 H LEU 37 H LEU 37 -17.136 -10.159 -7.254
272 HA LEU 37 HA LEU 37 -19.001 -8.180 -6.113
273 HB2 LEU 37 1HB LEU 37 -19.382 -10.805 -7.618
274 HB3 LEU 37 2HB LEU 37 -20.700 -9.919 -6.899
275 HG LEU 37 HG LEU 37 -20.672 -9.519 -9.232
276 HD11 LEU 37 1HD1 LEU 37 -19.703 -6.985 -7.857
277 HD12 LEU 37 2HD1 LEU 37 -21.349 -7.651 -7.743
278 HD13 LEU 37 3HD1 LEU 37 -20.718 -7.104 -9.307
279 HD21 LEU 37 3HD2 LEU 37 -17.927 -8.238 -9.025
280 HD22 LEU 37 1HD2 LEU 37 -18.929 -8.439 -10.470
281 HD23 LEU 37 2HD2 LEU 37 -18.244 -9.866 -9.676
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 10.841 15.302 -2.788
2 H2 GLY 1 2H GLY 1 12.202 15.365 -3.697
3 H3 GLY 1 3H GLY 1 12.273 15.664 -2.086
4 HA2 GLY 1 1HA GLY 1 11.584 13.075 -3.318
5 HA3 GLY 1 2HA GLY 1 13.139 13.467 -2.564
6 H SER 2 H SER 2 12.021 11.305 -1.588
7 HA SER 2 HA SER 2 11.176 12.022 1.155
8 HB2 SER 2 1HB SER 2 9.324 10.405 1.122
9 HB3 SER 2 2HB SER 2 9.057 11.736 -0.011
10 HG SER 2 HG SER 2 8.562 9.713 -0.958
11 H SER 3 H SER 3 11.233 10.152 2.634
12 HA SER 3 HA SER 3 12.917 7.853 1.865
13 HB2 SER 3 1HB SER 3 14.552 8.294 3.643
14 HB3 SER 3 2HB SER 3 14.556 9.575 2.426
15 HG SER 3 HG SER 3 14.592 10.420 4.558
16 H GLY 4 H GLY 4 13.197 6.302 3.681
17 HA2 GLY 4 1HA GLY 4 11.742 6.279 6.084
18 HA3 GLY 4 2HA GLY 4 10.690 5.572 4.858
19 H SER 5 H SER 5 10.877 3.661 6.286
20 HA SER 5 HA SER 5 13.163 2.223 6.897
21 HB2 SER 5 1HB SER 5 10.442 1.088 6.159
22 HB3 SER 5 2HB SER 5 11.711 0.253 7.079
23 HG SER 5 HG SER 5 10.201 1.211 8.493
24 H SER 6 H SER 6 14.504 0.860 5.953
25 HA SER 6 HA SER 6 15.889 0.172 4.343
26 HB2 SER 6 1HB SER 6 15.167 -1.702 3.016
27 HB3 SER 6 2HB SER 6 14.544 -1.786 4.663
28 HG SER 6 HG SER 6 12.962 -2.334 3.096
29 H GLY 7 H GLY 7 14.506 2.755 3.618
30 HA2 GLY 7 1HA GLY 7 14.792 4.305 1.963
31 HA3 GLY 7 2HA GLY 7 15.761 3.148 1.049
32 H HIS 8 H HIS 8 12.608 1.906 1.785
33 HA HIS 8 HA HIS 8 11.422 2.886 -0.754
34 HB2 HIS 8 1HB HIS 8 12.862 0.966 -1.361
35 HB3 HIS 8 2HB HIS 8 12.002 -0.052 -0.209
36 HD1 HIS 8 1HD HIS 8 9.443 -0.757 -0.936
37 HD2 HIS 8 2HD HIS 8 11.683 1.482 -3.710
38 HE1 HIS 8 1HE HIS 8 8.194 -0.910 -3.144
39 H LEU 9 H LEU 9 9.415 3.429 -0.367
40 HA LEU 9 HA LEU 9 7.718 1.884 1.547
41 HB2 LEU 9 1HB LEU 9 7.285 4.615 0.268
42 HB3 LEU 9 2HB LEU 9 6.095 3.745 1.211
43 HG LEU 9 HG LEU 9 6.969 5.406 2.596
44 HD11 LEU 9 1HD1 LEU 9 6.613 3.194 3.680
45 HD12 LEU 9 2HD1 LEU 9 7.810 4.203 4.511
46 HD13 LEU 9 3HD1 LEU 9 8.350 2.850 3.499
47 HD21 LEU 9 3HD2 LEU 9 9.813 4.396 2.288
48 HD22 LEU 9 1HD2 LEU 9 9.226 5.834 3.145
49 HD23 LEU 9 2HD2 LEU 9 9.137 5.774 1.381
50 H TYR 10 H TYR 10 5.835 0.930 0.872
51 HA TYR 10 HA TYR 10 5.751 0.236 -2.029
52 HB2 TYR 10 1HB TYR 10 4.747 -1.211 0.443
53 HB3 TYR 10 2HB TYR 10 4.492 -1.745 -1.203
54 HD1 TYR 10 1HD TYR 10 7.383 -0.777 1.073
55 HD2 TYR 10 2HD TYR 10 5.931 -3.340 -2.087
56 HE1 TYR 10 1HE TYR 10 9.518 -2.049 1.124
57 HE2 TYR 10 2HE TYR 10 8.068 -4.606 -2.031
58 HH TYR 10 HH TYR 10 10.136 -4.823 -1.058
59 H TYR 11 H TYR 11 4.109 0.974 -3.211
60 HA TYR 11 HA TYR 11 2.005 2.568 -1.849
61 HB2 TYR 11 1HB TYR 11 3.232 2.702 -4.608
62 HB3 TYR 11 2HB TYR 11 1.763 3.559 -4.187
63 HD1 TYR 11 1HD TYR 11 5.386 3.246 -3.287
64 HD2 TYR 11 2HD TYR 11 1.783 5.604 -2.982
65 HE1 TYR 11 1HE TYR 11 6.694 5.114 -2.305
66 HE2 TYR 11 2HE TYR 11 3.101 7.482 -2.011
67 HH TYR 11 HH TYR 11 6.639 7.251 -1.472
68 H CYS 12 H CYS 12 -0.104 2.494 -2.258
69 HA CYS 12 HA CYS 12 -1.412 0.080 -2.949
70 HB2 CYS 12 1HB CYS 12 -2.231 1.808 -1.417
71 HB3 CYS 12 2HB CYS 12 -2.376 2.956 -2.758
72 H SER 13 H SER 13 -2.693 -0.488 -4.687
73 HA SER 13 HA SER 13 -1.937 0.651 -7.319
74 HB2 SER 13 1HB SER 13 -2.854 -1.474 -8.238
75 HB3 SER 13 2HB SER 13 -1.449 -1.635 -7.179
76 HG SER 13 HG SER 13 -2.893 -3.190 -6.574
77 H GLN 14 H GLN 14 -4.395 1.172 -5.161
78 HA GLN 14 HA GLN 14 -6.251 2.020 -7.376
79 HB2 GLN 14 1HB GLN 14 -6.937 1.136 -4.557
80 HB3 GLN 14 2HB GLN 14 -8.061 1.917 -5.657
81 HG2 GLN 14 1HG GLN 14 -8.572 -0.362 -5.810
82 HG3 GLN 14 2HG GLN 14 -7.705 0.023 -7.290
83 HE21 GLN 14 1HE2 GLN 14 -6.276 -1.621 -7.833
84 HE22 GLN 14 2HE2 GLN 14 -5.282 -2.460 -6.649
85 H CYS 15 H CYS 15 -4.451 3.138 -4.548
86 HA CYS 15 HA CYS 15 -5.360 5.894 -5.077
87 HB2 CYS 15 1HB CYS 15 -6.116 6.332 -2.868
88 HB3 CYS 15 2HB CYS 15 -6.975 4.920 -3.455
89 H HIS 16 H HIS 16 -4.266 7.199 -2.966
90 HA HIS 16 HA HIS 16 -1.440 7.190 -3.753
91 HB2 HIS 16 1HB HIS 16 -1.387 9.382 -2.684
92 HB3 HIS 16 2HB HIS 16 -2.716 9.253 -3.824
93 HD1 HIS 16 1HD HIS 16 -5.124 9.766 -2.845
94 HD2 HIS 16 2HD HIS 16 -2.093 9.239 0.032
95 HE1 HIS 16 1HE HIS 16 -6.163 10.359 -0.595
96 H TYR 17 H TYR 17 -3.014 5.563 -1.303
97 HA TYR 17 HA TYR 17 -1.405 6.064 1.000
98 HB2 TYR 17 1HB TYR 17 -3.578 4.967 1.078
99 HB3 TYR 17 2HB TYR 17 -2.978 3.635 0.100
100 HD1 TYR 17 1HD TYR 17 -2.803 5.231 3.457
101 HD2 TYR 17 2HD TYR 17 -1.724 1.816 1.050
102 HE1 TYR 17 1HE TYR 17 -2.167 3.980 5.514
103 HE2 TYR 17 2HE TYR 17 -1.100 0.566 3.113
104 HH TYR 17 HH TYR 17 -1.376 2.007 6.377
105 H SER 18 H SER 18 0.293 4.874 1.965
106 HA SER 18 HA SER 18 1.564 2.718 0.469
107 HB2 SER 18 1HB SER 18 3.817 3.634 0.559
108 HB3 SER 18 2HB SER 18 2.748 4.681 -0.380
109 HG SER 18 HG SER 18 3.988 5.945 1.017
110 H SER 19 H SER 19 3.006 1.423 1.650
111 HA SER 19 HA SER 19 3.185 1.766 4.582
112 HB2 SER 19 1HB SER 19 1.026 0.561 4.025
113 HB3 SER 19 2HB SER 19 2.017 -0.784 3.422
114 HG SER 19 HG SER 19 1.301 -0.736 5.754
115 H ILE 20 H ILE 20 4.287 -0.378 5.459
116 HA ILE 20 HA ILE 20 6.853 -0.635 3.983
117 HB ILE 20 HB ILE 20 7.706 -1.631 6.109
118 HG12 ILE 20 1HG1 ILE 20 5.179 -0.450 7.369
119 HG13 ILE 20 2HG1 ILE 20 5.469 -2.176 7.168
120 HG21 ILE 20 1HG2 ILE 20 8.093 0.592 7.067
121 HG22 ILE 20 2HG2 ILE 20 8.101 0.694 5.307
122 HG23 ILE 20 3HG2 ILE 20 6.678 1.241 6.215
123 HD11 ILE 20 3HD1 ILE 20 6.009 -1.586 9.423
124 HD12 ILE 20 1HD1 ILE 20 7.523 -1.981 8.585
125 HD13 ILE 20 2HD1 ILE 20 7.087 -0.282 8.905
126 H THR 21 H THR 21 7.088 -2.171 2.671
127 HA THR 21 HA THR 21 6.932 -4.018 1.458
128 HB THR 21 HB THR 21 7.154 -6.134 2.281
129 HG1 THR 21 1HG THR 21 5.920 -5.217 4.639
130 HG21 THR 21 3HG2 THR 21 9.038 -4.676 2.984
131 HG22 THR 21 1HG2 THR 21 8.775 -6.066 4.055
132 HG23 THR 21 2HG2 THR 21 8.247 -4.450 4.564
133 H LYS 22 H LYS 22 5.643 -5.668 0.475
134 HA LYS 22 HA LYS 22 2.886 -5.049 0.161
135 HB2 LYS 22 1HB LYS 22 2.740 -7.118 -1.107
136 HB3 LYS 22 2HB LYS 22 4.158 -6.170 -1.553
137 HG2 LYS 22 1HG LYS 22 5.605 -7.671 -0.198
138 HG3 LYS 22 2HG LYS 22 4.179 -8.626 0.266
139 HD2 LYS 22 1HD LYS 22 3.768 -9.166 -2.125
140 HD3 LYS 22 2HD LYS 22 5.204 -8.222 -2.581
141 HE2 LYS 22 1HE LYS 22 6.621 -9.720 -1.188
142 HE3 LYS 22 2HE LYS 22 5.191 -10.661 -0.743
143 HZ1 LYS 22 3HZ LYS 22 6.238 -10.359 -3.510
144 HZ2 LYS 22 1HZ LYS 22 4.914 -11.226 -3.102
145 HZ3 LYS 22 2HZ LYS 22 6.388 -11.693 -2.586
146 H ASN 23 H ASN 23 4.430 -7.038 2.577
147 HA ASN 23 HA ASN 23 2.174 -8.639 3.333
148 HB2 ASN 23 1HB ASN 23 4.514 -7.807 5.099
149 HB3 ASN 23 2HB ASN 23 3.500 -9.232 5.269
150 HD21 ASN 23 1HD2 ASN 23 6.291 -7.888 3.747
151 HD22 ASN 23 2HD2 ASN 23 6.735 -9.344 2.848
152 H CYS 24 H CYS 24 3.083 -5.339 4.190
153 HA CYS 24 HA CYS 24 0.837 -5.193 6.145
154 HB2 CYS 24 1HB CYS 24 3.208 -4.329 6.656
155 HB3 CYS 24 2HB CYS 24 2.823 -2.995 5.553
156 HG CYS 24 HG CYS 24 2.441 -2.181 8.007
157 H LEU 25 H LEU 25 1.957 -3.715 3.046
158 HA LEU 25 HA LEU 25 -0.143 -1.961 2.647
159 HB2 LEU 25 1HB LEU 25 1.897 -2.067 1.275
160 HB3 LEU 25 2HB LEU 25 1.391 -3.632 0.638
161 HG LEU 25 HG LEU 25 -0.568 -2.571 -0.465
162 HD11 LEU 25 1HD1 LEU 25 0.685 0.033 0.516
163 HD12 LEU 25 2HD1 LEU 25 -0.913 -0.614 0.971
164 HD13 LEU 25 3HD1 LEU 25 -0.615 -0.102 -0.688
165 HD21 LEU 25 3HD2 LEU 25 2.073 -1.266 -1.169
166 HD22 LEU 25 1HD2 LEU 25 0.673 -1.525 -2.235
167 HD23 LEU 25 2HD2 LEU 25 1.586 -2.911 -1.635
168 H LYS 26 H LYS 26 -0.125 -5.478 1.861
169 HA LYS 26 HA LYS 26 -2.579 -5.609 0.471
170 HB2 LYS 26 1HB LYS 26 -0.873 -7.412 0.675
171 HB3 LYS 26 2HB LYS 26 -1.377 -7.691 2.350
172 HG2 LYS 26 1HG LYS 26 -3.643 -8.322 1.549
173 HG3 LYS 26 2HG LYS 26 -3.157 -7.970 -0.120
174 HD2 LYS 26 1HD LYS 26 -1.433 -9.755 0.014
175 HD3 LYS 26 2HD LYS 26 -1.918 -10.095 1.690
176 HE2 LYS 26 1HE LYS 26 -4.216 -10.644 0.907
177 HE3 LYS 26 2HE LYS 26 -3.730 -10.307 -0.760
178 HZ1 LYS 26 3HZ LYS 26 -3.630 -12.684 -0.272
179 HZ2 LYS 26 1HZ LYS 26 -2.575 -12.451 0.951
180 HZ3 LYS 26 2HZ LYS 26 -2.126 -12.139 -0.590
181 H ARG 27 H ARG 27 -2.093 -5.249 3.934
182 HA ARG 27 HA ARG 27 -4.759 -6.010 4.788
183 HB2 ARG 27 1HB ARG 27 -2.834 -4.111 6.193
184 HB3 ARG 27 2HB ARG 27 -4.125 -5.059 6.923
185 HG2 ARG 27 1HG ARG 27 -2.907 -7.155 6.446
186 HG3 ARG 27 2HG ARG 27 -1.639 -6.252 5.607
187 HD2 ARG 27 1HD ARG 27 -1.281 -4.955 7.781
188 HD3 ARG 27 2HD ARG 27 -2.278 -6.206 8.561
189 HE ARG 27 HE ARG 27 -0.177 -7.362 6.924
190 HH11 ARG 27 1HH1 ARG 27 -0.499 -5.752 10.021
191 HH12 ARG 27 2HH1 ARG 27 0.969 -6.460 10.634
192 HH21 ARG 27 1HH2 ARG 27 1.622 -8.248 7.759
193 HH22 ARG 27 2HH2 ARG 27 2.143 -7.859 9.377
194 H HIS 28 H HIS 28 -3.384 -2.973 3.613
195 HA HIS 28 HA HIS 28 -5.779 -1.365 4.116
196 HB2 HIS 28 1HB HIS 28 -3.761 -0.165 3.929
197 HB3 HIS 28 2HB HIS 28 -3.246 -1.027 2.492
198 HD1 HIS 28 1HD HIS 28 -5.353 1.960 3.481
199 HD2 HIS 28 2HD HIS 28 -4.225 -0.285 0.110
200 HE1 HIS 28 1HE HIS 28 -5.993 3.367 1.470
201 H VAL 29 H VAL 29 -4.461 -3.175 1.295
202 HA VAL 29 HA VAL 29 -6.561 -2.509 -0.518
203 HB VAL 29 HB VAL 29 -4.843 -5.021 -0.485
204 HG11 VAL 29 1HG1 VAL 29 -6.334 -3.671 -2.775
205 HG12 VAL 29 2HG1 VAL 29 -5.255 -5.072 -2.914
206 HG13 VAL 29 3HG1 VAL 29 -6.776 -5.226 -2.031
207 HG21 VAL 29 3HG2 VAL 29 -3.409 -3.799 -2.092
208 HG22 VAL 29 1HG2 VAL 29 -4.404 -2.342 -1.890
209 HG23 VAL 29 2HG2 VAL 29 -3.440 -2.971 -0.539
210 H ILE 30 H ILE 30 -6.289 -5.278 1.735
211 HA ILE 30 HA ILE 30 -8.748 -6.564 1.149
212 HB ILE 30 HB ILE 30 -7.069 -6.343 3.671
213 HG12 ILE 30 1HG1 ILE 30 -7.571 -8.741 1.857
214 HG13 ILE 30 2HG1 ILE 30 -6.273 -7.606 1.550
215 HG21 ILE 30 1HG2 ILE 30 -9.346 -6.804 4.474
216 HG22 ILE 30 2HG2 ILE 30 -9.532 -8.104 3.275
217 HG23 ILE 30 3HG2 ILE 30 -8.378 -8.254 4.615
218 HD11 ILE 30 3HD1 ILE 30 -5.389 -9.529 2.716
219 HD12 ILE 30 1HD1 ILE 30 -5.286 -8.117 3.785
220 HD13 ILE 30 2HD1 ILE 30 -6.547 -9.348 4.036
221 H GLN 31 H GLN 31 -8.129 -3.865 3.445
222 HA GLN 31 HA GLN 31 -10.907 -3.873 4.347
223 HB2 GLN 31 1HB GLN 31 -8.493 -2.138 4.971
224 HB3 GLN 31 2HB GLN 31 -10.088 -1.875 5.692
225 HG2 GLN 31 1HG GLN 31 -10.103 -4.110 6.675
226 HG3 GLN 31 2HG GLN 31 -8.573 -4.516 5.895
227 HE21 GLN 31 1HE2 GLN 31 -6.633 -3.293 6.543
228 HE22 GLN 31 2HE2 GLN 31 -6.564 -2.622 8.181
229 H LYS 32 H LYS 32 -9.051 -1.839 2.100
230 HA LYS 32 HA LYS 32 -11.364 0.042 1.841
231 HB2 LYS 32 1HB LYS 32 -8.467 0.345 0.961
232 HB3 LYS 32 2HB LYS 32 -9.710 1.588 0.903
233 HG2 LYS 32 1HG LYS 32 -8.531 0.342 3.425
234 HG3 LYS 32 2HG LYS 32 -8.208 1.950 2.779
235 HD2 LYS 32 1HD LYS 32 -10.610 2.558 3.116
236 HD3 LYS 32 2HD LYS 32 -10.886 0.967 3.862
237 HE2 LYS 32 1HE LYS 32 -9.173 1.471 5.582
238 HE3 LYS 32 2HE LYS 32 -8.895 3.055 4.848
239 HZ1 LYS 32 3HZ LYS 32 -11.210 3.625 5.355
240 HZ2 LYS 32 1HZ LYS 32 -10.430 3.207 6.722
241 HZ3 LYS 32 2HZ LYS 32 -11.473 2.160 6.032
242 H HIS 33 H HIS 33 -9.692 -2.349 -0.075
243 HA HIS 33 HA HIS 33 -11.173 -1.456 -2.507
244 HB2 HIS 33 1HB HIS 33 -8.299 -2.396 -2.460
245 HB3 HIS 33 2HB HIS 33 -9.196 -1.777 -3.841
246 HD1 HIS 33 1HD HIS 33 -10.280 0.966 -2.766
247 HD2 HIS 33 2HD HIS 33 -6.506 -0.661 -1.911
248 HE1 HIS 33 1HE HIS 33 -8.817 2.933 -2.110
249 H SER 34 H SER 34 -12.056 -3.482 -0.754
250 HA SER 34 HA SER 34 -11.453 -6.133 -1.630
251 HB2 SER 34 1HB SER 34 -12.596 -5.540 0.493
252 HB3 SER 34 2HB SER 34 -14.038 -5.073 -0.429
253 HG SER 34 HG SER 34 -14.083 -7.262 0.386
254 H ASN 35 H ASN 35 -12.880 -7.603 -2.776
255 HA ASN 35 HA ASN 35 -13.273 -6.713 -5.456
256 HB2 ASN 35 1HB ASN 35 -13.944 -9.333 -4.051
257 HB3 ASN 35 2HB ASN 35 -14.044 -9.103 -5.791
258 HD21 ASN 35 1HD2 ASN 35 -12.474 -11.116 -4.938
259 HD22 ASN 35 2HD2 ASN 35 -10.787 -10.680 -5.172
260 H ILE 36 H ILE 36 -15.432 -6.156 -3.015
261 HA ILE 36 HA ILE 36 -17.938 -6.588 -4.395
262 HB ILE 36 HB ILE 36 -17.610 -6.537 -1.926
263 HG12 ILE 36 1HG1 ILE 36 -19.666 -4.501 -2.856
264 HG13 ILE 36 2HG1 ILE 36 -19.833 -6.251 -3.049
265 HG21 ILE 36 1HG2 ILE 36 -17.446 -3.502 -2.198
266 HG22 ILE 36 2HG2 ILE 36 -17.393 -4.453 -0.702
267 HG23 ILE 36 3HG2 ILE 36 -16.057 -4.549 -1.847
268 HD11 ILE 36 3HD1 ILE 36 -19.683 -6.515 -0.566
269 HD12 ILE 36 1HD1 ILE 36 -19.656 -4.740 -0.409
270 HD13 ILE 36 2HD1 ILE 36 -21.072 -5.547 -1.099
271 H LEU 37 H LEU 37 -15.520 -4.188 -4.686
272 HA LEU 37 HA LEU 37 -17.206 -1.997 -5.556
273 HB2 LEU 37 1HB LEU 37 -15.204 -0.771 -5.911
274 HB3 LEU 37 2HB LEU 37 -15.066 -1.685 -4.428
275 HG LEU 37 HG LEU 37 -13.718 -3.420 -5.926
276 HD11 LEU 37 1HD1 LEU 37 -12.388 -2.292 -7.679
277 HD12 LEU 37 2HD1 LEU 37 -13.367 -0.821 -7.496
278 HD13 LEU 37 3HD1 LEU 37 -14.093 -2.313 -8.120
279 HD21 LEU 37 3HD2 LEU 37 -12.591 -0.694 -5.142
280 HD22 LEU 37 1HD2 LEU 37 -11.657 -2.192 -5.387
281 HD23 LEU 37 2HD2 LEU 37 -12.817 -2.082 -4.056
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 15.399 4.653 -10.733
2 H2 GLY 1 2H GLY 1 16.910 4.593 -11.362
3 H3 GLY 1 3H GLY 1 16.559 3.768 -9.989
4 HA2 GLY 1 1HA GLY 1 15.421 3.208 -12.651
5 HA3 GLY 1 2HA GLY 1 16.698 2.259 -11.867
6 H SER 2 H SER 2 13.875 1.583 -12.740
7 HA SER 2 HA SER 2 12.108 1.390 -10.573
8 HB2 SER 2 1HB SER 2 12.250 -0.426 -13.004
9 HB3 SER 2 2HB SER 2 10.828 -0.115 -11.987
10 HG SER 2 HG SER 2 10.829 1.174 -13.893
11 H SER 3 H SER 3 14.854 -0.662 -11.141
12 HA SER 3 HA SER 3 13.924 -2.946 -9.576
13 HB2 SER 3 1HB SER 3 16.293 -3.683 -9.849
14 HB3 SER 3 2HB SER 3 15.476 -3.310 -11.376
15 HG SER 3 HG SER 3 17.594 -2.391 -11.252
16 H GLY 4 H GLY 4 15.013 0.153 -8.675
17 HA2 GLY 4 1HA GLY 4 16.501 -0.545 -6.263
18 HA3 GLY 4 2HA GLY 4 15.961 1.049 -6.773
19 H SER 5 H SER 5 15.638 1.218 -4.435
20 HA SER 5 HA SER 5 14.384 1.438 -2.582
21 HB2 SER 5 1HB SER 5 12.048 1.321 -4.504
22 HB3 SER 5 2HB SER 5 12.048 2.029 -2.879
23 HG SER 5 HG SER 5 12.386 3.601 -4.532
24 H SER 6 H SER 6 15.040 -1.383 -3.159
25 HA SER 6 HA SER 6 12.932 -3.116 -2.361
26 HB2 SER 6 1HB SER 6 15.904 -3.401 -1.771
27 HB3 SER 6 2HB SER 6 14.699 -4.700 -1.773
28 HG SER 6 HG SER 6 14.402 -4.357 -4.007
29 H GLY 7 H GLY 7 11.916 -3.446 -0.481
30 HA2 GLY 7 1HA GLY 7 11.489 -3.592 1.782
31 HA3 GLY 7 2HA GLY 7 13.152 -3.127 2.141
32 H HIS 8 H HIS 8 11.667 -0.837 0.074
33 HA HIS 8 HA HIS 8 11.397 1.149 2.235
34 HB2 HIS 8 1HB HIS 8 12.581 1.498 0.015
35 HB3 HIS 8 2HB HIS 8 10.991 1.453 -0.753
36 HD1 HIS 8 1HD HIS 8 12.684 3.544 2.090
37 HD2 HIS 8 2HD HIS 8 9.918 3.782 -1.072
38 HE1 HIS 8 1HE HIS 8 11.916 5.972 1.998
39 H LEU 9 H LEU 9 9.452 2.791 1.570
40 HA LEU 9 HA LEU 9 6.890 1.568 2.139
41 HB2 LEU 9 1HB LEU 9 7.729 4.304 1.073
42 HB3 LEU 9 2HB LEU 9 6.063 3.860 1.351
43 HG LEU 9 HG LEU 9 6.885 5.266 3.113
44 HD11 LEU 9 1HD1 LEU 9 6.157 3.996 5.034
45 HD12 LEU 9 2HD1 LEU 9 6.453 2.466 4.193
46 HD13 LEU 9 3HD1 LEU 9 5.166 3.567 3.629
47 HD21 LEU 9 3HD2 LEU 9 9.282 4.586 3.118
48 HD22 LEU 9 1HD2 LEU 9 8.823 3.081 3.958
49 HD23 LEU 9 2HD2 LEU 9 8.548 4.651 4.728
50 H TYR 10 H TYR 10 5.521 0.605 0.760
51 HA TYR 10 HA TYR 10 5.873 0.916 -2.196
52 HB2 TYR 10 1HB TYR 10 4.614 -1.347 -0.627
53 HB3 TYR 10 2HB TYR 10 4.764 -1.262 -2.375
54 HD1 TYR 10 2HD TYR 10 7.796 -0.180 -2.263
55 HD2 TYR 10 1HD TYR 10 5.655 -3.491 -0.513
56 HE1 TYR 10 2HE TYR 10 9.898 -1.493 -2.168
57 HE2 TYR 10 1HE TYR 10 7.772 -4.812 -0.439
58 HH TYR 10 HH TYR 10 9.987 -4.861 -0.940
59 H TYR 11 H TYR 11 4.132 1.440 -3.451
60 HA TYR 11 HA TYR 11 1.930 2.783 -2.012
61 HB2 TYR 11 1HB TYR 11 3.086 3.054 -4.788
62 HB3 TYR 11 2HB TYR 11 1.535 3.749 -4.358
63 HD1 TYR 11 2HD TYR 11 5.175 3.820 -3.454
64 HD2 TYR 11 1HD TYR 11 1.335 5.769 -3.137
65 HE1 TYR 11 2HE TYR 11 6.269 5.815 -2.450
66 HE2 TYR 11 1HE TYR 11 2.435 7.772 -2.150
67 HH TYR 11 HH TYR 11 5.978 7.922 -1.599
68 H CYS 12 H CYS 12 -0.184 2.593 -2.428
69 HA CYS 12 HA CYS 12 -1.342 0.085 -3.015
70 HB2 CYS 12 1HB CYS 12 -2.241 1.803 -1.537
71 HB3 CYS 12 2HB CYS 12 -2.446 2.912 -2.900
72 H SER 13 H SER 13 -2.756 -0.543 -4.664
73 HA SER 13 HA SER 13 -1.917 0.189 -7.391
74 HB2 SER 13 1HB SER 13 -3.301 -1.750 -8.048
75 HB3 SER 13 2HB SER 13 -2.065 -2.157 -6.846
76 HG SER 13 HG SER 13 -4.101 -3.069 -6.318
77 H GLN 14 H GLN 14 -4.423 1.147 -5.249
78 HA GLN 14 HA GLN 14 -6.074 2.186 -7.536
79 HB2 GLN 14 1HB GLN 14 -7.045 0.944 -4.941
80 HB3 GLN 14 2HB GLN 14 -8.068 1.751 -6.140
81 HG2 GLN 14 1HG GLN 14 -7.261 0.070 -7.856
82 HG3 GLN 14 2HG GLN 14 -6.446 -0.791 -6.548
83 HE21 GLN 14 1HE2 GLN 14 -7.888 -2.590 -7.390
84 HE22 GLN 14 2HE2 GLN 14 -9.522 -2.664 -6.743
85 H CYS 15 H CYS 15 -4.390 3.171 -4.695
86 HA CYS 15 HA CYS 15 -5.423 5.883 -5.081
87 HB2 CYS 15 1HB CYS 15 -6.108 6.281 -2.830
88 HB3 CYS 15 2HB CYS 15 -6.989 4.892 -3.436
89 H HIS 16 H HIS 16 -4.289 7.249 -3.093
90 HA HIS 16 HA HIS 16 -1.456 7.151 -3.848
91 HB2 HIS 16 1HB HIS 16 -2.935 9.199 -3.929
92 HB3 HIS 16 2HB HIS 16 -2.918 9.210 -2.166
93 HD1 HIS 16 1HD HIS 16 -0.951 10.644 -1.176
94 HD2 HIS 16 2HD HIS 16 -0.308 9.279 -5.105
95 HE1 HIS 16 1HE HIS 16 1.244 11.691 -1.944
96 H TYR 17 H TYR 17 -3.058 5.599 -1.395
97 HA TYR 17 HA TYR 17 -1.466 6.092 0.927
98 HB2 TYR 17 1HB TYR 17 -3.627 4.943 0.959
99 HB3 TYR 17 2HB TYR 17 -2.972 3.630 -0.012
100 HD1 TYR 17 1HD TYR 17 -3.053 5.148 3.358
101 HD2 TYR 17 2HD TYR 17 -1.525 1.911 0.945
102 HE1 TYR 17 1HE TYR 17 -2.432 3.900 5.420
103 HE2 TYR 17 2HE TYR 17 -0.888 0.676 3.011
104 HH TYR 17 HH TYR 17 -1.528 1.987 6.287
105 H SER 18 H SER 18 0.297 4.991 1.830
106 HA SER 18 HA SER 18 1.519 2.775 0.388
107 HB2 SER 18 1HB SER 18 3.787 3.685 0.400
108 HB3 SER 18 2HB SER 18 2.708 4.678 -0.586
109 HG SER 18 HG SER 18 3.974 6.012 0.722
110 H SER 19 H SER 19 2.814 1.426 1.609
111 HA SER 19 HA SER 19 3.455 2.070 4.398
112 HB2 SER 19 1HB SER 19 2.435 0.056 5.336
113 HB3 SER 19 2HB SER 19 1.226 1.156 4.666
114 HG SER 19 HG SER 19 0.792 -0.965 4.046
115 H ILE 20 H ILE 20 4.881 0.414 5.402
116 HA ILE 20 HA ILE 20 6.882 -0.399 3.448
117 HB ILE 20 HB ILE 20 7.529 0.671 5.521
118 HG12 ILE 20 1HG1 ILE 20 8.614 -2.170 5.338
119 HG13 ILE 20 2HG1 ILE 20 9.038 -0.851 4.242
120 HG21 ILE 20 1HG2 ILE 20 5.802 -0.352 7.048
121 HG22 ILE 20 2HG2 ILE 20 6.728 -1.865 7.011
122 HG23 ILE 20 3HG2 ILE 20 7.439 -0.391 7.693
123 HD11 ILE 20 3HD1 ILE 20 9.936 0.452 6.176
124 HD12 ILE 20 1HD1 ILE 20 9.615 -0.949 7.232
125 HD13 ILE 20 2HD1 ILE 20 10.776 -1.088 5.906
126 H THR 21 H THR 21 7.327 -2.299 2.684
127 HA THR 21 HA THR 21 7.060 -4.292 1.839
128 HB THR 21 HB THR 21 8.106 -5.022 3.884
129 HG1 THR 21 1HG THR 21 7.698 -7.142 3.448
130 HG21 THR 21 3HG2 THR 21 5.288 -5.696 4.824
131 HG22 THR 21 1HG2 THR 21 6.547 -4.774 5.678
132 HG23 THR 21 2HG2 THR 21 6.749 -6.505 5.434
133 H LYS 22 H LYS 22 5.798 -5.978 1.029
134 HA LYS 22 HA LYS 22 3.116 -5.115 0.369
135 HB2 LYS 22 1HB LYS 22 4.516 -7.765 -0.164
136 HB3 LYS 22 2HB LYS 22 2.972 -7.254 -0.866
137 HG2 LYS 22 1HG LYS 22 4.117 -5.255 -1.862
138 HG3 LYS 22 2HG LYS 22 5.666 -5.900 -1.305
139 HD2 LYS 22 1HD LYS 22 3.765 -7.295 -3.236
140 HD3 LYS 22 2HD LYS 22 5.210 -6.383 -3.689
141 HE2 LYS 22 1HE LYS 22 6.617 -7.957 -2.360
142 HE3 LYS 22 2HE LYS 22 5.174 -8.897 -1.959
143 HZ1 LYS 22 3HZ LYS 22 6.344 -9.847 -3.861
144 HZ2 LYS 22 1HZ LYS 22 6.212 -8.463 -4.710
145 HZ3 LYS 22 2HZ LYS 22 4.875 -9.327 -4.342
146 H ASN 23 H ASN 23 4.353 -7.305 2.810
147 HA ASN 23 HA ASN 23 1.898 -8.622 3.465
148 HB2 ASN 23 1HB ASN 23 4.199 -9.353 4.139
149 HB3 ASN 23 2HB ASN 23 4.290 -7.987 5.255
150 HD21 ASN 23 2HD2 ASN 23 2.685 -11.100 4.612
151 HD22 ASN 23 1HD2 ASN 23 2.044 -11.263 6.239
152 H CYS 24 H CYS 24 2.991 -5.349 4.237
153 HA CYS 24 HA CYS 24 0.718 -4.948 6.111
154 HB2 CYS 24 1HB CYS 24 3.052 -3.962 6.482
155 HB3 CYS 24 2HB CYS 24 2.701 -2.875 5.126
156 HG CYS 24 HG CYS 24 0.365 -2.019 6.164
157 H LEU 25 H LEU 25 1.857 -3.800 2.881
158 HA LEU 25 HA LEU 25 -0.266 -2.131 2.319
159 HB2 LEU 25 1HB LEU 25 1.899 -2.302 1.098
160 HB3 LEU 25 2HB LEU 25 1.344 -3.819 0.382
161 HG LEU 25 HG LEU 25 -0.506 -2.608 -0.760
162 HD11 LEU 25 1HD1 LEU 25 -0.389 -0.113 -0.878
163 HD12 LEU 25 2HD1 LEU 25 0.818 -0.127 0.425
164 HD13 LEU 25 3HD1 LEU 25 -0.843 -0.689 0.723
165 HD21 LEU 25 3HD2 LEU 25 1.699 -2.998 -1.836
166 HD22 LEU 25 1HD2 LEU 25 2.231 -1.396 -1.270
167 HD23 LEU 25 2HD2 LEU 25 0.885 -1.542 -2.423
168 H LYS 26 H LYS 26 -0.122 -5.654 1.730
169 HA LYS 26 HA LYS 26 -2.562 -5.950 0.315
170 HB2 LYS 26 1HB LYS 26 -0.817 -7.684 0.579
171 HB3 LYS 26 2HB LYS 26 -1.195 -7.827 2.294
172 HG2 LYS 26 1HG LYS 26 -2.125 -9.668 1.001
173 HG3 LYS 26 2HG LYS 26 -3.406 -8.741 1.776
174 HD2 LYS 26 1HD LYS 26 -4.018 -7.687 -0.339
175 HD3 LYS 26 2HD LYS 26 -2.583 -8.370 -1.139
176 HE2 LYS 26 1HE LYS 26 -3.437 -10.655 -0.735
177 HE3 LYS 26 2HE LYS 26 -4.864 -9.997 0.075
178 HZ1 LYS 26 3HZ LYS 26 -5.577 -9.014 -1.991
179 HZ2 LYS 26 1HZ LYS 26 -5.237 -10.576 -2.296
180 HZ3 LYS 26 2HZ LYS 26 -4.180 -9.424 -2.762
181 H ARG 27 H ARG 27 -2.066 -5.431 3.775
182 HA ARG 27 HA ARG 27 -4.751 -6.164 4.619
183 HB2 ARG 27 1HB ARG 27 -2.889 -4.213 6.032
184 HB3 ARG 27 2HB ARG 27 -4.184 -5.180 6.734
185 HG2 ARG 27 1HG ARG 27 -2.875 -7.258 6.288
186 HG3 ARG 27 2HG ARG 27 -1.591 -6.276 5.563
187 HD2 ARG 27 1HD ARG 27 -1.444 -5.014 7.772
188 HD3 ARG 27 2HD ARG 27 -2.493 -6.275 8.451
189 HE ARG 27 HE ARG 27 -0.118 -7.280 7.031
190 HH11 ARG 27 2HH1 ARG 27 -1.210 -6.164 10.176
191 HH12 ARG 27 1HH1 ARG 27 0.098 -6.954 11.011
192 HH21 ARG 27 2HH2 ARG 27 1.540 -8.264 8.172
193 HH22 ARG 27 1HH2 ARG 27 1.594 -8.107 9.905
194 H HIS 28 H HIS 28 -3.245 -3.071 3.658
195 HA HIS 28 HA HIS 28 -5.599 -1.434 3.951
196 HB2 HIS 28 1HB HIS 28 -3.495 -0.352 3.704
197 HB3 HIS 28 2HB HIS 28 -3.103 -1.229 2.233
198 HD1 HIS 28 1HD HIS 28 -5.064 1.816 3.375
199 HD2 HIS 28 2HD HIS 28 -4.242 -0.431 -0.079
200 HE1 HIS 28 1HE HIS 28 -5.887 3.218 1.430
201 H VAL 29 H VAL 29 -4.374 -3.368 1.158
202 HA VAL 29 HA VAL 29 -6.549 -2.660 -0.579
203 HB VAL 29 HB VAL 29 -4.713 -5.071 -0.662
204 HG11 VAL 29 1HG1 VAL 29 -5.290 -5.125 -3.091
205 HG12 VAL 29 2HG1 VAL 29 -6.674 -5.508 -2.068
206 HG13 VAL 29 3HG1 VAL 29 -6.535 -3.890 -2.802
207 HG21 VAL 29 3HG2 VAL 29 -3.490 -3.766 -2.365
208 HG22 VAL 29 1HG2 VAL 29 -4.608 -2.403 -2.152
209 HG23 VAL 29 2HG2 VAL 29 -3.517 -2.884 -0.841
210 H ILE 30 H ILE 30 -6.234 -5.373 1.724
211 HA ILE 30 HA ILE 30 -8.767 -6.592 1.185
212 HB ILE 30 HB ILE 30 -6.968 -6.526 3.616
213 HG12 ILE 30 1HG1 ILE 30 -7.693 -8.846 1.784
214 HG13 ILE 30 2HG1 ILE 30 -6.358 -7.771 1.416
215 HG21 ILE 30 1HG2 ILE 30 -9.227 -6.877 4.514
216 HG22 ILE 30 2HG2 ILE 30 -9.547 -8.127 3.289
217 HG23 ILE 30 3HG2 ILE 30 -8.343 -8.387 4.567
218 HD11 ILE 30 3HD1 ILE 30 -6.582 -9.549 3.880
219 HD12 ILE 30 1HD1 ILE 30 -5.505 -9.753 2.498
220 HD13 ILE 30 2HD1 ILE 30 -5.279 -8.373 3.588
221 H GLN 31 H GLN 31 -7.910 -3.963 3.468
222 HA GLN 31 HA GLN 31 -10.611 -3.865 4.544
223 HB2 GLN 31 1HB GLN 31 -8.107 -2.205 4.979
224 HB3 GLN 31 2HB GLN 31 -9.622 -1.922 5.845
225 HG2 GLN 31 1HG GLN 31 -9.583 -4.147 6.822
226 HG3 GLN 31 2HG GLN 31 -8.167 -4.603 5.882
227 HE21 GLN 31 1HE2 GLN 31 -7.604 -5.108 8.329
228 HE22 GLN 31 2HE2 GLN 31 -6.734 -3.812 9.138
229 H LYS 32 H LYS 32 -8.844 -1.808 2.231
230 HA LYS 32 HA LYS 32 -11.082 0.177 2.251
231 HB2 LYS 32 1HB LYS 32 -8.226 0.483 1.261
232 HB3 LYS 32 2HB LYS 32 -9.421 1.760 1.431
233 HG2 LYS 32 1HG LYS 32 -8.127 0.191 3.703
234 HG3 LYS 32 2HG LYS 32 -7.800 1.856 3.233
235 HD2 LYS 32 1HD LYS 32 -10.137 2.490 3.817
236 HD3 LYS 32 2HD LYS 32 -10.441 0.824 4.359
237 HE2 LYS 32 1HE LYS 32 -8.610 1.019 6.017
238 HE3 LYS 32 2HE LYS 32 -8.296 2.675 5.483
239 HZ1 LYS 32 3HZ LYS 32 -10.545 3.269 6.211
240 HZ2 LYS 32 1HZ LYS 32 -9.708 2.637 7.457
241 HZ3 LYS 32 2HZ LYS 32 -10.841 1.740 6.702
242 H HIS 33 H HIS 33 -9.954 -2.265 0.168
243 HA HIS 33 HA HIS 33 -11.307 -0.986 -2.173
244 HB2 HIS 33 1HB HIS 33 -8.628 -2.423 -2.173
245 HB3 HIS 33 2HB HIS 33 -9.493 -1.890 -3.607
246 HD1 HIS 33 1HD HIS 33 -10.074 0.978 -3.441
247 HD2 HIS 33 2HD HIS 33 -6.833 -0.716 -1.378
248 HE1 HIS 33 1HE HIS 33 -8.547 2.917 -2.852
249 H SER 34 H SER 34 -11.592 -2.630 -3.984
250 HA SER 34 HA SER 34 -13.493 -4.500 -3.008
251 HB2 SER 34 1HB SER 34 -12.551 -4.100 -5.862
252 HB3 SER 34 2HB SER 34 -14.087 -4.816 -5.327
253 HG SER 34 HG SER 34 -14.325 -2.608 -5.908
254 H ASN 35 H ASN 35 -10.939 -5.411 -2.135
255 HA ASN 35 HA ASN 35 -10.052 -7.775 -3.559
256 HB2 ASN 35 1HB ASN 35 -8.816 -6.390 -1.825
257 HB3 ASN 35 2HB ASN 35 -9.891 -7.055 -0.599
258 HD21 ASN 35 1HD2 ASN 35 -9.823 -9.572 -0.424
259 HD22 ASN 35 2HD2 ASN 35 -8.243 -10.281 -0.671
260 H ILE 36 H ILE 36 -12.643 -7.083 -1.296
261 HA ILE 36 HA ILE 36 -13.703 -9.853 -1.532
262 HB ILE 36 HB ILE 36 -14.655 -9.669 0.717
263 HG12 ILE 36 1HG1 ILE 36 -12.921 -7.175 1.065
264 HG13 ILE 36 2HG1 ILE 36 -14.682 -7.192 0.942
265 HG21 ILE 36 1HG2 ILE 36 -12.460 -10.813 0.225
266 HG22 ILE 36 2HG2 ILE 36 -11.630 -9.352 0.817
267 HG23 ILE 36 3HG2 ILE 36 -12.664 -10.304 1.901
268 HD11 ILE 36 3HD1 ILE 36 -13.029 -8.403 3.190
269 HD12 ILE 36 1HD1 ILE 36 -14.083 -6.983 3.258
270 HD13 ILE 36 2HD1 ILE 36 -14.794 -8.591 3.015
271 H LEU 37 H LEU 37 -15.977 -10.030 -1.503
272 HA LEU 37 HA LEU 37 -17.575 -7.602 -2.156
273 HB2 LEU 37 1HB LEU 37 -17.374 -10.151 -3.818
274 HB3 LEU 37 2HB LEU 37 -18.588 -8.907 -4.056
275 HG LEU 37 HG LEU 37 -15.587 -8.474 -4.405
276 HD11 LEU 37 1HD1 LEU 37 -16.106 -8.452 -6.804
277 HD12 LEU 37 2HD1 LEU 37 -17.809 -8.831 -6.457
278 HD13 LEU 37 3HD1 LEU 37 -16.532 -10.010 -6.080
279 HD21 LEU 37 3HD2 LEU 37 -16.286 -6.384 -5.544
280 HD22 LEU 37 1HD2 LEU 37 -16.768 -6.375 -3.845
281 HD23 LEU 37 2HD2 LEU 37 -17.979 -6.705 -5.102
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 18.716 -3.667 -3.375
2 H2 GLY 1 2H GLY 1 18.876 -4.664 -2.085
3 H3 GLY 1 3H GLY 1 19.220 -3.069 -1.937
4 HA2 GLY 1 1HA GLY 1 16.552 -4.210 -2.466
5 HA3 GLY 1 2HA GLY 1 17.096 -3.543 -0.915
6 H SER 2 H SER 2 15.434 -2.014 -0.920
7 HA SER 2 HA SER 2 15.686 0.276 -2.845
8 HB2 SER 2 1HB SER 2 13.161 -0.872 -1.603
9 HB3 SER 2 2HB SER 2 13.254 0.591 -2.600
10 HG SER 2 HG SER 2 12.666 -1.254 -3.836
11 H SER 3 H SER 3 15.218 2.364 -2.064
12 HA SER 3 HA SER 3 16.295 2.939 0.491
13 HB2 SER 3 1HB SER 3 14.681 4.755 -1.335
14 HB3 SER 3 2HB SER 3 15.748 5.270 -0.013
15 HG SER 3 HG SER 3 16.803 5.354 -2.056
16 H GLY 4 H GLY 4 15.474 3.746 2.379
17 HA2 GLY 4 1HA GLY 4 12.932 4.682 3.008
18 HA3 GLY 4 2HA GLY 4 12.848 2.939 3.260
19 H SER 5 H SER 5 12.421 4.549 5.409
20 HA SER 5 HA SER 5 14.854 5.179 6.871
21 HB2 SER 5 1HB SER 5 13.251 5.854 8.655
22 HB3 SER 5 2HB SER 5 12.969 6.626 7.084
23 HG SER 5 HG SER 5 11.021 5.847 8.042
24 H SER 6 H SER 6 12.462 2.562 7.082
25 HA SER 6 HA SER 6 14.261 1.077 8.964
26 HB2 SER 6 1HB SER 6 12.266 0.282 10.141
27 HB3 SER 6 2HB SER 6 12.386 2.049 10.187
28 HG SER 6 HG SER 6 10.265 1.361 9.672
29 H GLY 7 H GLY 7 12.791 0.943 5.943
30 HA2 GLY 7 1HA GLY 7 13.670 -1.567 5.155
31 HA3 GLY 7 2HA GLY 7 12.033 -1.833 5.762
32 H HIS 8 H HIS 8 11.789 -2.476 3.389
33 HA HIS 8 HA HIS 8 11.848 -0.423 1.348
34 HB2 HIS 8 1HB HIS 8 10.570 -3.172 1.409
35 HB3 HIS 8 2HB HIS 8 10.690 -2.155 -0.023
36 HD1 HIS 8 1HD HIS 8 11.928 -4.825 -0.414
37 HD2 HIS 8 2HD HIS 8 13.995 -1.639 1.396
38 HE1 HIS 8 1HE HIS 8 14.414 -5.346 -0.673
39 H LEU 9 H LEU 9 10.283 0.820 0.493
40 HA LEU 9 HA LEU 9 7.581 0.858 1.740
41 HB2 LEU 9 1HB LEU 9 9.162 2.895 0.140
42 HB3 LEU 9 2HB LEU 9 7.428 3.020 0.322
43 HG LEU 9 HG LEU 9 8.547 4.487 1.849
44 HD11 LEU 9 1HD1 LEU 9 7.254 2.242 3.436
45 HD12 LEU 9 2HD1 LEU 9 6.370 3.476 2.511
46 HD13 LEU 9 3HD1 LEU 9 7.380 3.950 3.889
47 HD21 LEU 9 3HD2 LEU 9 9.706 2.079 3.292
48 HD22 LEU 9 1HD2 LEU 9 9.883 3.790 3.720
49 HD23 LEU 9 2HD2 LEU 9 10.624 3.171 2.232
50 H TYR 10 H TYR 10 5.757 0.631 0.615
51 HA TYR 10 HA TYR 10 5.800 -0.048 -2.285
52 HB2 TYR 10 1HB TYR 10 4.357 -1.608 -0.103
53 HB3 TYR 10 2HB TYR 10 4.232 -1.889 -1.836
54 HD1 TYR 10 1HD TYR 10 6.452 -2.198 1.112
55 HD2 TYR 10 2HD TYR 10 5.974 -3.021 -3.094
56 HE1 TYR 10 1HE TYR 10 8.415 -3.740 1.180
57 HE2 TYR 10 2HE TYR 10 7.933 -4.556 -3.019
58 HH TYR 10 HH TYR 10 9.569 -5.489 -1.721
59 H TYR 11 H TYR 11 3.733 0.281 -3.347
60 HA TYR 11 HA TYR 11 2.054 2.361 -1.997
61 HB2 TYR 11 1HB TYR 11 3.070 2.471 -4.845
62 HB3 TYR 11 2HB TYR 11 2.221 3.727 -3.954
63 HD1 TYR 11 2HD TYR 11 3.382 4.728 -1.875
64 HD2 TYR 11 1HD TYR 11 5.455 2.332 -4.798
65 HE1 TYR 11 2HE TYR 11 5.570 5.582 -1.027
66 HE2 TYR 11 1HE TYR 11 7.636 3.179 -3.952
67 HH TYR 11 HH TYR 11 8.695 4.551 -2.453
68 H CYS 12 H CYS 12 -0.069 2.530 -2.522
69 HA CYS 12 HA CYS 12 -1.424 0.191 -3.488
70 HB2 CYS 12 1HB CYS 12 -2.172 1.740 -1.703
71 HB3 CYS 12 2HB CYS 12 -2.459 2.987 -2.926
72 H SER 13 H SER 13 -2.793 -0.055 -5.208
73 HA SER 13 HA SER 13 -2.110 1.431 -7.713
74 HB2 SER 13 1HB SER 13 -3.406 -1.283 -7.306
75 HB3 SER 13 2HB SER 13 -3.117 -0.509 -8.876
76 HG SER 13 HG SER 13 -1.437 -1.968 -8.311
77 H GLN 14 H GLN 14 -4.590 1.232 -5.375
78 HA GLN 14 HA GLN 14 -6.698 2.189 -7.288
79 HB2 GLN 14 1HB GLN 14 -6.844 0.711 -4.644
80 HB3 GLN 14 2HB GLN 14 -8.224 1.549 -5.338
81 HG2 GLN 14 1HG GLN 14 -8.438 -0.733 -5.934
82 HG3 GLN 14 2HG GLN 14 -8.045 0.165 -7.399
83 HE21 GLN 14 1HE2 GLN 14 -6.375 -1.709 -4.760
84 HE22 GLN 14 2HE2 GLN 14 -5.256 -2.483 -5.869
85 H CYS 15 H CYS 15 -4.702 3.241 -4.651
86 HA CYS 15 HA CYS 15 -5.863 5.913 -4.825
87 HB2 CYS 15 1HB CYS 15 -6.295 6.205 -2.482
88 HB3 CYS 15 2HB CYS 15 -7.218 4.831 -3.060
89 H HIS 16 H HIS 16 -4.525 7.189 -2.856
90 HA HIS 16 HA HIS 16 -1.763 7.132 -3.879
91 HB2 HIS 16 1HB HIS 16 -3.194 9.165 -2.139
92 HB3 HIS 16 2HB HIS 16 -1.595 9.359 -2.854
93 HD1 HIS 16 1HD HIS 16 -1.604 9.340 -5.694
94 HD2 HIS 16 2HD HIS 16 -5.213 9.974 -3.621
95 HE1 HIS 16 1HE HIS 16 -3.227 10.355 -7.379
96 H TYR 17 H TYR 17 -3.027 5.354 -1.511
97 HA TYR 17 HA TYR 17 -1.537 5.970 0.824
98 HB2 TYR 17 1HB TYR 17 -3.531 4.631 0.882
99 HB3 TYR 17 2HB TYR 17 -2.812 3.419 -0.170
100 HD1 TYR 17 1HD TYR 17 -2.502 4.967 3.233
101 HD2 TYR 17 2HD TYR 17 -1.638 1.574 0.710
102 HE1 TYR 17 1HE TYR 17 -1.702 3.690 5.217
103 HE2 TYR 17 2HE TYR 17 -0.897 0.284 2.707
104 HH TYR 17 HH TYR 17 -0.846 1.705 5.989
105 H SER 18 H SER 18 0.236 5.146 1.778
106 HA SER 18 HA SER 18 2.235 3.583 0.195
107 HB2 SER 18 1HB SER 18 2.842 5.858 2.118
108 HB3 SER 18 2HB SER 18 4.004 4.936 1.150
109 HG SER 18 HG SER 18 3.421 7.033 0.277
110 H SER 19 H SER 19 3.294 1.980 1.327
111 HA SER 19 HA SER 19 2.810 1.700 4.264
112 HB2 SER 19 1HB SER 19 1.270 0.338 2.502
113 HB3 SER 19 2HB SER 19 2.656 -0.753 2.555
114 HG SER 19 HG SER 19 0.971 0.118 4.673
115 H ILE 20 H ILE 20 4.336 0.516 5.406
116 HA ILE 20 HA ILE 20 6.911 -0.026 4.023
117 HB ILE 20 HB ILE 20 6.829 1.541 5.927
118 HG12 ILE 20 1HG1 ILE 20 8.919 0.598 5.201
119 HG13 ILE 20 2HG1 ILE 20 8.876 0.940 6.919
120 HG21 ILE 20 1HG2 ILE 20 5.232 0.452 7.409
121 HG22 ILE 20 2HG2 ILE 20 6.368 -0.875 7.707
122 HG23 ILE 20 3HG2 ILE 20 6.767 0.770 8.226
123 HD11 ILE 20 3HD1 ILE 20 8.497 -1.564 7.314
124 HD12 ILE 20 1HD1 ILE 20 8.878 -1.779 5.587
125 HD13 ILE 20 2HD1 ILE 20 10.070 -1.078 6.681
126 H THR 21 H THR 21 7.488 -1.990 3.563
127 HA THR 21 HA THR 21 7.398 -4.174 3.112
128 HB THR 21 HB THR 21 6.056 -4.756 5.752
129 HG1 THR 21 1HG THR 21 8.157 -4.959 6.514
130 HG21 THR 21 3HG2 THR 21 6.202 -6.695 4.184
131 HG22 THR 21 1HG2 THR 21 7.301 -6.887 5.547
132 HG23 THR 21 2HG2 THR 21 7.938 -6.383 3.966
133 H LYS 22 H LYS 22 6.203 -5.516 1.854
134 HA LYS 22 HA LYS 22 3.776 -4.377 0.905
135 HB2 LYS 22 1HB LYS 22 5.573 -5.521 -0.412
136 HB3 LYS 22 2HB LYS 22 4.956 -7.079 0.159
137 HG2 LYS 22 1HG LYS 22 2.794 -6.634 -0.951
138 HG3 LYS 22 2HG LYS 22 3.340 -5.005 -1.398
139 HD2 LYS 22 1HD LYS 22 5.148 -5.995 -2.782
140 HD3 LYS 22 2HD LYS 22 4.596 -7.625 -2.333
141 HE2 LYS 22 1HE LYS 22 2.375 -7.144 -3.347
142 HE3 LYS 22 2HE LYS 22 2.928 -5.524 -3.797
143 HZ1 LYS 22 3HZ LYS 22 4.108 -8.064 -4.798
144 HZ2 LYS 22 1HZ LYS 22 4.620 -6.568 -5.213
145 HZ3 LYS 22 2HZ LYS 22 3.135 -7.075 -5.655
146 H ASN 23 H ASN 23 4.149 -6.909 3.283
147 HA ASN 23 HA ASN 23 1.539 -8.083 3.009
148 HB2 ASN 23 1HB ASN 23 1.881 -8.961 5.236
149 HB3 ASN 23 2HB ASN 23 3.327 -9.181 4.263
150 HD21 ASN 23 1HD2 ASN 23 3.392 -9.409 7.053
151 HD22 ASN 23 2HD2 ASN 23 4.328 -8.057 7.675
152 H CYS 24 H CYS 24 2.628 -5.202 4.863
153 HA CYS 24 HA CYS 24 0.057 -4.586 5.980
154 HB2 CYS 24 1HB CYS 24 2.481 -2.858 5.327
155 HB3 CYS 24 2HB CYS 24 1.079 -2.308 6.262
156 HG CYS 24 HG CYS 24 3.182 -2.894 7.807
157 H LEU 25 H LEU 25 1.555 -3.652 2.842
158 HA LEU 25 HA LEU 25 -0.587 -2.070 1.968
159 HB2 LEU 25 1HB LEU 25 1.627 -2.021 0.919
160 HB3 LEU 25 2HB LEU 25 1.420 -3.681 0.360
161 HG LEU 25 HG LEU 25 -0.479 -2.981 -1.078
162 HD11 LEU 25 1HD1 LEU 25 -1.291 -0.999 0.150
163 HD12 LEU 25 2HD1 LEU 25 -0.846 -0.569 -1.493
164 HD13 LEU 25 3HD1 LEU 25 0.251 -0.159 -0.158
165 HD21 LEU 25 3HD2 LEU 25 1.873 -3.033 -1.899
166 HD22 LEU 25 1HD2 LEU 25 2.001 -1.299 -1.510
167 HD23 LEU 25 2HD2 LEU 25 0.850 -1.859 -2.743
168 H LYS 26 H LYS 26 -0.030 -5.610 1.558
169 HA LYS 26 HA LYS 26 -2.432 -6.145 0.077
170 HB2 LYS 26 1HB LYS 26 -0.839 -7.877 2.015
171 HB3 LYS 26 2HB LYS 26 -2.210 -8.481 1.106
172 HG2 LYS 26 1HG LYS 26 0.347 -7.345 -0.110
173 HG3 LYS 26 2HG LYS 26 -0.034 -9.050 0.071
174 HD2 LYS 26 1HD LYS 26 -1.496 -7.058 -1.718
175 HD3 LYS 26 2HD LYS 26 -0.366 -8.314 -2.221
176 HE2 LYS 26 1HE LYS 26 -1.912 -10.055 -1.288
177 HE3 LYS 26 2HE LYS 26 -3.076 -8.783 -0.897
178 HZ1 LYS 26 3HZ LYS 26 -3.183 -8.249 -3.280
179 HZ2 LYS 26 1HZ LYS 26 -3.583 -9.811 -3.034
180 HZ3 LYS 26 2HZ LYS 26 -2.116 -9.435 -3.633
181 H ARG 27 H ARG 27 -1.964 -6.001 3.632
182 HA ARG 27 HA ARG 27 -4.743 -6.506 4.247
183 HB2 ARG 27 1HB ARG 27 -2.589 -5.016 5.809
184 HB3 ARG 27 2HB ARG 27 -4.188 -5.379 6.449
185 HG2 ARG 27 1HG ARG 27 -2.178 -7.486 5.537
186 HG3 ARG 27 2HG ARG 27 -2.444 -6.969 7.204
187 HD2 ARG 27 1HD ARG 27 -4.806 -7.733 7.056
188 HD3 ARG 27 2HD ARG 27 -4.503 -8.307 5.401
189 HE ARG 27 HE ARG 27 -2.559 -9.453 7.139
190 HH11 ARG 27 2HH1 ARG 27 -5.989 -9.784 6.503
191 HH12 ARG 27 1HH1 ARG 27 -6.015 -11.449 7.018
192 HH21 ARG 27 2HH2 ARG 27 -2.667 -11.576 7.788
193 HH22 ARG 27 1HH2 ARG 27 -4.182 -12.427 7.728
194 H HIS 28 H HIS 28 -3.093 -3.381 3.570
195 HA HIS 28 HA HIS 28 -5.421 -1.751 3.881
196 HB2 HIS 28 1HB HIS 28 -3.338 -0.657 3.629
197 HB3 HIS 28 2HB HIS 28 -2.955 -1.493 2.137
198 HD1 HIS 28 1HD HIS 28 -4.923 1.511 3.370
199 HD2 HIS 28 2HD HIS 28 -4.108 -0.624 -0.155
200 HE1 HIS 28 1HE HIS 28 -5.772 2.964 1.475
201 H VAL 29 H VAL 29 -4.278 -3.504 0.921
202 HA VAL 29 HA VAL 29 -6.497 -2.664 -0.687
203 HB VAL 29 HB VAL 29 -4.672 -5.079 -0.973
204 HG11 VAL 29 1HG1 VAL 29 -6.641 -3.864 -2.964
205 HG12 VAL 29 2HG1 VAL 29 -5.385 -5.055 -3.372
206 HG13 VAL 29 3HG1 VAL 29 -6.699 -5.508 -2.286
207 HG21 VAL 29 3HG2 VAL 29 -3.559 -3.695 -2.687
208 HG22 VAL 29 1HG2 VAL 29 -4.695 -2.364 -2.386
209 HG23 VAL 29 2HG2 VAL 29 -3.535 -2.850 -1.142
210 H ILE 30 H ILE 30 -6.140 -5.540 1.395
211 HA ILE 30 HA ILE 30 -8.675 -6.730 0.770
212 HB ILE 30 HB ILE 30 -6.823 -6.892 3.167
213 HG12 ILE 30 1HG1 ILE 30 -7.475 -9.009 1.073
214 HG13 ILE 30 2HG1 ILE 30 -6.191 -7.843 0.833
215 HG21 ILE 30 1HG2 ILE 30 -9.049 -7.438 4.041
216 HG22 ILE 30 2HG2 ILE 30 -9.339 -8.546 2.680
217 HG23 ILE 30 3HG2 ILE 30 -8.105 -8.908 3.903
218 HD11 ILE 30 3HD1 ILE 30 -6.307 -9.928 3.046
219 HD12 ILE 30 1HD1 ILE 30 -5.213 -9.873 1.657
220 HD13 ILE 30 2HD1 ILE 30 -5.077 -8.646 2.930
221 H GLN 31 H GLN 31 -7.790 -4.306 3.266
222 HA GLN 31 HA GLN 31 -10.491 -4.378 4.405
223 HB2 GLN 31 1HB GLN 31 -7.968 -2.839 5.098
224 HB3 GLN 31 2HB GLN 31 -9.476 -2.723 6.011
225 HG2 GLN 31 1HG GLN 31 -9.420 -5.096 6.564
226 HG3 GLN 31 2HG GLN 31 -7.986 -5.350 5.579
227 HE21 GLN 31 1HE2 GLN 31 -7.585 -6.256 8.001
228 HE22 GLN 31 2HE2 GLN 31 -6.679 -5.121 8.993
229 H LYS 32 H LYS 32 -8.696 -2.070 2.378
230 HA LYS 32 HA LYS 32 -10.814 -0.006 2.795
231 HB2 LYS 32 1HB LYS 32 -8.018 0.309 1.650
232 HB3 LYS 32 2HB LYS 32 -9.130 1.596 2.090
233 HG2 LYS 32 1HG LYS 32 -7.777 -0.346 4.015
234 HG3 LYS 32 2HG LYS 32 -7.387 1.355 3.765
235 HD2 LYS 32 1HD LYS 32 -9.632 2.008 4.605
236 HD3 LYS 32 2HD LYS 32 -10.009 0.297 4.912
237 HE2 LYS 32 1HE LYS 32 -8.071 0.137 6.448
238 HE3 LYS 32 2HE LYS 32 -7.689 1.838 6.151
239 HZ1 LYS 32 3HZ LYS 32 -8.980 1.565 8.189
240 HZ2 LYS 32 1HZ LYS 32 -10.209 0.855 7.387
241 HZ3 LYS 32 2HZ LYS 32 -9.851 2.426 7.113
242 H HIS 33 H HIS 33 -9.965 -2.192 0.323
243 HA HIS 33 HA HIS 33 -11.560 -0.585 -1.627
244 HB2 HIS 33 1HB HIS 33 -9.097 -2.241 -2.260
245 HB3 HIS 33 2HB HIS 33 -10.131 -1.434 -3.438
246 HD1 HIS 33 1HD HIS 33 -10.352 1.450 -2.609
247 HD2 HIS 33 2HD HIS 33 -6.939 -0.867 -1.835
248 HE1 HIS 33 1HE HIS 33 -8.473 3.102 -2.229
249 H SER 34 H SER 34 -12.847 -1.699 -3.078
250 HA SER 34 HA SER 34 -13.181 -4.610 -2.951
251 HB2 SER 34 1HB SER 34 -14.428 -3.865 -0.939
252 HB3 SER 34 2HB SER 34 -15.418 -2.796 -1.948
253 HG SER 34 HG SER 34 -16.414 -4.844 -1.528
254 H ASN 35 H ASN 35 -14.740 -1.529 -3.963
255 HA ASN 35 HA ASN 35 -14.821 -2.498 -6.763
256 HB2 ASN 35 1HB ASN 35 -17.077 -2.827 -5.650
257 HB3 ASN 35 2HB ASN 35 -17.137 -1.088 -5.363
258 HD21 ASN 35 1HD2 ASN 35 -19.174 -1.254 -6.645
259 HD22 ASN 35 2HD2 ASN 35 -19.040 -1.255 -8.399
260 H ILE 36 H ILE 36 -14.634 -0.838 -8.310
261 HA ILE 36 HA ILE 36 -13.700 1.836 -7.352
262 HB ILE 36 HB ILE 36 -12.263 0.025 -9.324
263 HG12 ILE 36 1HG1 ILE 36 -11.890 -0.761 -7.015
264 HG13 ILE 36 2HG1 ILE 36 -10.440 -0.162 -7.777
265 HG21 ILE 36 1HG2 ILE 36 -10.459 1.772 -9.243
266 HG22 ILE 36 2HG2 ILE 36 -11.945 2.309 -10.020
267 HG23 ILE 36 3HG2 ILE 36 -11.579 2.835 -8.363
268 HD11 ILE 36 3HD1 ILE 36 -10.632 0.492 -5.386
269 HD12 ILE 36 1HD1 ILE 36 -10.499 1.895 -6.456
270 HD13 ILE 36 2HD1 ILE 36 -12.072 1.450 -5.762
271 H LEU 37 H LEU 37 -14.137 3.527 -8.688
272 HA LEU 37 HA LEU 37 -16.341 3.247 -10.502
273 HB2 LEU 37 1HB LEU 37 -16.449 5.571 -10.537
274 HB3 LEU 37 2HB LEU 37 -16.001 5.146 -8.897
275 HG LEU 37 HG LEU 37 -14.132 6.265 -11.047
276 HD11 LEU 37 1HD1 LEU 37 -14.201 8.309 -9.690
277 HD12 LEU 37 2HD1 LEU 37 -15.338 7.541 -8.558
278 HD13 LEU 37 3HD1 LEU 37 -15.822 7.864 -10.238
279 HD21 LEU 37 3HD2 LEU 37 -13.626 5.701 -8.087
280 HD22 LEU 37 1HD2 LEU 37 -12.562 6.659 -9.140
281 HD23 LEU 37 2HD2 LEU 37 -12.801 4.948 -9.480
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 19.326 18.273 2.471
2 H2 GLY 1 2H GLY 1 19.149 17.140 3.643
3 H3 GLY 1 3H GLY 1 18.180 18.460 3.627
4 HA2 GLY 1 1HA GLY 1 17.169 17.777 1.548
5 HA3 GLY 1 2HA GLY 1 18.206 16.338 1.582
6 H SER 2 H SER 2 16.403 14.935 1.599
7 HA SER 2 HA SER 2 14.245 15.054 3.452
8 HB2 SER 2 1HB SER 2 15.355 12.645 1.967
9 HB3 SER 2 2HB SER 2 13.748 12.777 2.707
10 HG SER 2 HG SER 2 13.709 13.233 0.451
11 H SER 3 H SER 3 13.706 13.725 5.229
12 HA SER 3 HA SER 3 15.786 12.137 6.590
13 HB2 SER 3 1HB SER 3 16.080 14.552 7.301
14 HB3 SER 3 2HB SER 3 14.456 14.476 8.010
15 HG SER 3 HG SER 3 16.154 13.997 9.519
16 H GLY 4 H GLY 4 14.919 11.046 8.529
17 HA2 GLY 4 1HA GLY 4 13.342 9.813 9.693
18 HA3 GLY 4 2HA GLY 4 12.057 10.742 8.936
19 H SER 5 H SER 5 11.268 8.417 9.232
20 HA SER 5 HA SER 5 10.520 6.449 8.473
21 HB2 SER 5 1HB SER 5 9.929 7.899 6.484
22 HB3 SER 5 2HB SER 5 11.327 7.181 5.657
23 HG SER 5 HG SER 5 9.326 6.056 5.292
24 H SER 6 H SER 6 11.062 4.376 7.233
25 HA SER 6 HA SER 6 13.880 3.691 6.949
26 HB2 SER 6 1HB SER 6 13.546 3.664 9.449
27 HB3 SER 6 2HB SER 6 12.335 2.387 9.228
28 HG SER 6 HG SER 6 14.469 1.584 9.680
29 H GLY 7 H GLY 7 14.201 1.633 6.030
30 HA2 GLY 7 1HA GLY 7 13.736 -0.241 4.769
31 HA3 GLY 7 2HA GLY 7 12.162 -0.321 5.544
32 H HIS 8 H HIS 8 11.737 -1.177 3.275
33 HA HIS 8 HA HIS 8 11.407 0.903 1.195
34 HB2 HIS 8 1HB HIS 8 12.447 -1.265 0.633
35 HB3 HIS 8 2HB HIS 8 10.943 -2.090 1.050
36 HD1 HIS 8 1HD HIS 8 8.839 -1.651 -0.688
37 HD2 HIS 8 2HD HIS 8 12.569 0.014 -1.710
38 HE1 HIS 8 1HE HIS 8 8.644 -0.910 -3.112
39 H LEU 9 H LEU 9 9.582 1.983 0.936
40 HA LEU 9 HA LEU 9 7.030 0.960 2.042
41 HB2 LEU 9 1HB LEU 9 8.004 3.670 1.166
42 HB3 LEU 9 2HB LEU 9 6.286 3.301 1.084
43 HG LEU 9 HG LEU 9 6.194 2.767 3.460
44 HD11 LEU 9 1HD1 LEU 9 9.136 3.552 3.546
45 HD12 LEU 9 2HD1 LEU 9 8.446 1.965 3.949
46 HD13 LEU 9 3HD1 LEU 9 8.089 3.356 4.968
47 HD21 LEU 9 3HD2 LEU 9 7.517 5.449 2.901
48 HD22 LEU 9 1HD2 LEU 9 6.508 5.046 4.309
49 HD23 LEU 9 2HD2 LEU 9 5.793 5.069 2.690
50 H TYR 10 H TYR 10 5.497 0.116 0.879
51 HA TYR 10 HA TYR 10 5.740 -0.045 -2.093
52 HB2 TYR 10 1HB TYR 10 4.290 -1.810 -0.088
53 HB3 TYR 10 2HB TYR 10 4.208 -1.989 -1.833
54 HD1 TYR 10 1HD TYR 10 6.570 -2.117 1.068
55 HD2 TYR 10 2HD TYR 10 5.886 -3.156 -3.060
56 HE1 TYR 10 1HE TYR 10 8.590 -3.590 1.098
57 HE2 TYR 10 2HE TYR 10 7.897 -4.616 -3.028
58 HH TYR 10 HH TYR 10 9.645 -5.438 -1.778
59 H TYR 11 H TYR 11 4.043 0.601 -3.389
60 HA TYR 11 HA TYR 11 2.102 2.460 -2.097
61 HB2 TYR 11 1HB TYR 11 3.513 2.501 -4.778
62 HB3 TYR 11 2HB TYR 11 2.152 3.537 -4.394
63 HD1 TYR 11 2HD TYR 11 5.598 2.644 -3.115
64 HD2 TYR 11 1HD TYR 11 2.492 5.633 -3.413
65 HE1 TYR 11 2HE TYR 11 7.089 4.305 -2.029
66 HE2 TYR 11 1HE TYR 11 4.002 7.298 -2.350
67 HH TYR 11 HH TYR 11 6.065 7.689 -1.429
68 H CYS 12 H CYS 12 -0.008 2.532 -2.624
69 HA CYS 12 HA CYS 12 -1.287 0.126 -3.428
70 HB2 CYS 12 1HB CYS 12 -2.075 1.752 -1.752
71 HB3 CYS 12 2HB CYS 12 -2.365 2.937 -3.030
72 H SER 13 H SER 13 -2.699 -0.308 -5.061
73 HA SER 13 HA SER 13 -1.991 0.750 -7.737
74 HB2 SER 13 1HB SER 13 -3.748 -1.596 -6.931
75 HB3 SER 13 2HB SER 13 -3.263 -1.172 -8.583
76 HG SER 13 HG SER 13 -1.915 -2.796 -7.685
77 H GLN 14 H GLN 14 -4.454 1.307 -5.406
78 HA GLN 14 HA GLN 14 -6.318 2.371 -7.512
79 HB2 GLN 14 1HB GLN 14 -7.061 0.990 -4.911
80 HB3 GLN 14 2HB GLN 14 -8.178 1.723 -6.068
81 HG2 GLN 14 1HG GLN 14 -7.301 0.117 -7.826
82 HG3 GLN 14 2HG GLN 14 -6.381 -0.687 -6.551
83 HE21 GLN 14 1HE2 GLN 14 -7.690 -2.619 -7.275
84 HE22 GLN 14 2HE2 GLN 14 -9.299 -2.796 -6.588
85 H CYS 15 H CYS 15 -4.507 3.273 -4.733
86 HA CYS 15 HA CYS 15 -5.675 5.953 -4.866
87 HB2 CYS 15 1HB CYS 15 -6.188 6.168 -2.543
88 HB3 CYS 15 2HB CYS 15 -7.061 4.781 -3.174
89 H HIS 16 H HIS 16 -4.418 7.259 -2.930
90 HA HIS 16 HA HIS 16 -1.640 7.267 -3.877
91 HB2 HIS 16 1HB HIS 16 -1.506 9.440 -2.845
92 HB3 HIS 16 2HB HIS 16 -2.974 9.328 -3.804
93 HD1 HIS 16 1HD HIS 16 -1.881 9.339 -0.091
94 HD2 HIS 16 2HD HIS 16 -5.279 9.749 -2.540
95 HE1 HIS 16 1HE HIS 16 -3.780 10.093 1.440
96 H TYR 17 H TYR 17 -2.998 5.473 -1.483
97 HA TYR 17 HA TYR 17 -1.372 5.993 0.805
98 HB2 TYR 17 1HB TYR 17 -3.528 4.817 0.835
99 HB3 TYR 17 2HB TYR 17 -2.832 3.493 -0.092
100 HD1 TYR 17 1HD TYR 17 -2.899 5.166 3.216
101 HD2 TYR 17 2HD TYR 17 -1.459 1.793 0.943
102 HE1 TYR 17 1HE TYR 17 -2.314 3.989 5.331
103 HE2 TYR 17 2HE TYR 17 -0.879 0.614 3.066
104 HH TYR 17 HH TYR 17 -1.478 2.083 6.279
105 H SER 18 H SER 18 0.361 4.882 1.708
106 HA SER 18 HA SER 18 1.630 2.695 0.297
107 HB2 SER 18 1HB SER 18 3.888 3.618 0.271
108 HB3 SER 18 2HB SER 18 2.797 4.573 -0.739
109 HG SER 18 HG SER 18 2.681 6.127 0.899
110 H SER 19 H SER 19 3.061 1.449 1.592
111 HA SER 19 HA SER 19 3.330 2.139 4.452
112 HB2 SER 19 1HB SER 19 2.298 0.043 5.224
113 HB3 SER 19 2HB SER 19 1.144 1.126 4.441
114 HG SER 19 HG SER 19 1.468 -0.139 2.501
115 H ILE 20 H ILE 20 4.693 0.769 5.669
116 HA ILE 20 HA ILE 20 6.985 -0.252 4.242
117 HB ILE 20 HB ILE 20 7.311 0.871 6.309
118 HG12 ILE 20 1HG1 ILE 20 8.655 -0.654 7.626
119 HG13 ILE 20 2HG1 ILE 20 7.908 -2.056 6.874
120 HG21 ILE 20 1HG2 ILE 20 5.181 0.443 7.480
121 HG22 ILE 20 2HG2 ILE 20 5.653 -1.251 7.733
122 HG23 ILE 20 3HG2 ILE 20 6.563 0.060 8.499
123 HD11 ILE 20 3HD1 ILE 20 9.546 0.029 5.363
124 HD12 ILE 20 1HD1 ILE 20 10.194 -1.493 6.016
125 HD13 ILE 20 2HD1 ILE 20 8.975 -1.540 4.743
126 H THR 21 H THR 21 7.379 -2.179 3.528
127 HA THR 21 HA THR 21 7.189 -4.274 2.802
128 HB THR 21 HB THR 21 6.499 -6.124 4.013
129 HG1 THR 21 1HG THR 21 5.078 -4.296 5.601
130 HG21 THR 21 3HG2 THR 21 8.534 -4.991 4.917
131 HG22 THR 21 1HG2 THR 21 7.655 -5.967 6.109
132 HG23 THR 21 2HG2 THR 21 7.508 -4.202 6.137
133 H LYS 22 H LYS 22 6.014 -5.530 1.425
134 HA LYS 22 HA LYS 22 3.497 -4.505 0.475
135 HB2 LYS 22 1HB LYS 22 3.536 -6.368 -1.091
136 HB3 LYS 22 2HB LYS 22 5.078 -5.517 -1.033
137 HG2 LYS 22 1HG LYS 22 6.059 -7.320 0.348
138 HG3 LYS 22 2HG LYS 22 4.494 -8.144 0.412
139 HD2 LYS 22 1HD LYS 22 5.891 -9.248 -1.204
140 HD3 LYS 22 2HD LYS 22 4.554 -8.457 -2.051
141 HE2 LYS 22 1HE LYS 22 6.057 -6.575 -2.669
142 HE3 LYS 22 2HE LYS 22 7.383 -7.333 -1.774
143 HZ1 LYS 22 3HZ LYS 22 7.514 -7.836 -4.150
144 HZ2 LYS 22 1HZ LYS 22 6.034 -8.518 -4.145
145 HZ3 LYS 22 2HZ LYS 22 7.260 -9.216 -3.321
146 H ASN 23 H ASN 23 4.167 -6.802 2.988
147 HA ASN 23 HA ASN 23 1.628 -8.155 3.047
148 HB2 ASN 23 1HB ASN 23 3.682 -8.889 4.254
149 HB3 ASN 23 2HB ASN 23 3.577 -7.470 5.296
150 HD21 ASN 23 1HD2 ASN 23 3.632 -9.224 6.976
151 HD22 ASN 23 2HD2 ASN 23 2.093 -9.943 7.425
152 H CYS 24 H CYS 24 2.778 -5.145 4.704
153 HA CYS 24 HA CYS 24 0.254 -4.521 5.908
154 HB2 CYS 24 1HB CYS 24 2.547 -3.579 6.479
155 HB3 CYS 24 2HB CYS 24 2.407 -2.552 5.039
156 HG CYS 24 HG CYS 24 0.121 -1.436 5.733
157 H LEU 25 H LEU 25 1.618 -3.610 2.695
158 HA LEU 25 HA LEU 25 -0.547 -2.055 1.913
159 HB2 LEU 25 1HB LEU 25 1.674 -2.125 0.781
160 HB3 LEU 25 2HB LEU 25 1.266 -3.721 0.136
161 HG LEU 25 HG LEU 25 -0.699 -2.705 -1.061
162 HD11 LEU 25 1HD1 LEU 25 -1.087 -0.703 0.332
163 HD12 LEU 25 2HD1 LEU 25 -0.758 -0.247 -1.328
164 HD13 LEU 25 3HD1 LEU 25 0.520 -0.070 -0.109
165 HD21 LEU 25 3HD2 LEU 25 0.581 -1.689 -2.818
166 HD22 LEU 25 1HD2 LEU 25 1.509 -3.039 -2.152
167 HD23 LEU 25 2HD2 LEU 25 1.937 -1.367 -1.714
168 H LYS 26 H LYS 26 -0.091 -5.599 1.452
169 HA LYS 26 HA LYS 26 -2.551 -6.102 0.065
170 HB2 LYS 26 1HB LYS 26 -0.834 -7.811 1.906
171 HB3 LYS 26 2HB LYS 26 -2.305 -8.425 1.139
172 HG2 LYS 26 1HG LYS 26 -1.425 -8.067 -1.080
173 HG3 LYS 26 2HG LYS 26 -0.049 -7.162 -0.471
174 HD2 LYS 26 1HD LYS 26 0.690 -9.385 -1.094
175 HD3 LYS 26 2HD LYS 26 0.847 -9.155 0.641
176 HE2 LYS 26 1HE LYS 26 0.027 -11.370 0.286
177 HE3 LYS 26 2HE LYS 26 -1.285 -10.430 0.994
178 HZ1 LYS 26 3HZ LYS 26 -2.042 -11.793 -0.880
179 HZ2 LYS 26 1HZ LYS 26 -1.000 -11.070 -1.902
180 HZ3 LYS 26 2HZ LYS 26 -2.239 -10.219 -1.256
181 H ARG 27 H ARG 27 -1.919 -5.921 3.591
182 HA ARG 27 HA ARG 27 -4.671 -6.405 4.353
183 HB2 ARG 27 1HB ARG 27 -2.458 -4.907 5.825
184 HB3 ARG 27 2HB ARG 27 -3.998 -5.373 6.536
185 HG2 ARG 27 1HG ARG 27 -1.934 -7.334 5.443
186 HG3 ARG 27 2HG ARG 27 -2.129 -6.893 7.138
187 HD2 ARG 27 1HD ARG 27 -4.400 -7.829 7.151
188 HD3 ARG 27 2HD ARG 27 -4.259 -8.240 5.426
189 HE ARG 27 HE ARG 27 -2.057 -9.435 6.673
190 HH11 ARG 27 2HH1 ARG 27 -5.536 -9.826 6.873
191 HH12 ARG 27 1HH1 ARG 27 -5.411 -11.508 7.307
192 HH21 ARG 27 2HH2 ARG 27 -1.974 -11.578 7.242
193 HH22 ARG 27 1HH2 ARG 27 -3.444 -12.467 7.513
194 H HIS 28 H HIS 28 -3.002 -3.318 3.568
195 HA HIS 28 HA HIS 28 -5.270 -1.630 4.011
196 HB2 HIS 28 1HB HIS 28 -3.228 -0.534 3.650
197 HB3 HIS 28 2HB HIS 28 -2.863 -1.432 2.189
198 HD1 HIS 28 1HD HIS 28 -4.891 1.586 3.325
199 HD2 HIS 28 2HD HIS 28 -3.990 -0.628 -0.131
200 HE1 HIS 28 1HE HIS 28 -5.756 2.963 1.380
201 H VAL 29 H VAL 29 -4.321 -3.401 0.997
202 HA VAL 29 HA VAL 29 -6.584 -2.531 -0.520
203 HB VAL 29 HB VAL 29 -4.910 -5.055 -0.810
204 HG11 VAL 29 1HG1 VAL 29 -7.047 -5.338 -2.026
205 HG12 VAL 29 2HG1 VAL 29 -6.824 -3.748 -2.793
206 HG13 VAL 29 3HG1 VAL 29 -5.716 -5.084 -3.155
207 HG21 VAL 29 3HG2 VAL 29 -3.638 -2.904 -1.092
208 HG22 VAL 29 1HG2 VAL 29 -3.764 -3.816 -2.592
209 HG23 VAL 29 2HG2 VAL 29 -4.799 -2.401 -2.328
210 H ILE 30 H ILE 30 -6.188 -5.493 1.473
211 HA ILE 30 HA ILE 30 -8.788 -6.569 1.071
212 HB ILE 30 HB ILE 30 -6.819 -6.749 3.375
213 HG12 ILE 30 1HG1 ILE 30 -7.610 -8.873 1.336
214 HG13 ILE 30 2HG1 ILE 30 -6.315 -7.738 1.021
215 HG21 ILE 30 1HG2 ILE 30 -9.391 -8.353 3.013
216 HG22 ILE 30 2HG2 ILE 30 -8.112 -8.732 4.183
217 HG23 ILE 30 3HG2 ILE 30 -9.016 -7.241 4.350
218 HD11 ILE 30 3HD1 ILE 30 -5.119 -8.540 3.072
219 HD12 ILE 30 1HD1 ILE 30 -6.368 -9.791 3.265
220 HD13 ILE 30 2HD1 ILE 30 -5.342 -9.778 1.824
221 H GLN 31 H GLN 31 -7.685 -4.166 3.502
222 HA GLN 31 HA GLN 31 -10.260 -4.067 4.815
223 HB2 GLN 31 1HB GLN 31 -8.108 -3.806 5.951
224 HB3 GLN 31 2HB GLN 31 -7.786 -2.312 5.058
225 HG2 GLN 31 1HG GLN 31 -9.620 -1.177 6.181
226 HG3 GLN 31 2HG GLN 31 -10.191 -2.694 6.890
227 HE21 GLN 31 1HE2 GLN 31 -7.141 -0.683 6.810
228 HE22 GLN 31 2HE2 GLN 31 -6.801 -0.965 8.511
229 H LYS 32 H LYS 32 -8.683 -1.929 2.423
230 HA LYS 32 HA LYS 32 -10.964 -0.001 2.614
231 HB2 LYS 32 1HB LYS 32 -8.144 0.339 1.516
232 HB3 LYS 32 2HB LYS 32 -9.367 1.598 1.593
233 HG2 LYS 32 1HG LYS 32 -8.092 0.219 3.995
234 HG3 LYS 32 2HG LYS 32 -7.747 1.839 3.389
235 HD2 LYS 32 1HD LYS 32 -10.178 2.453 3.834
236 HD3 LYS 32 2HD LYS 32 -10.377 0.866 4.581
237 HE2 LYS 32 1HE LYS 32 -10.038 2.337 6.374
238 HE3 LYS 32 2HE LYS 32 -8.524 1.451 6.198
239 HZ1 LYS 32 3HZ LYS 32 -9.037 4.203 5.179
240 HZ2 LYS 32 1HZ LYS 32 -7.614 3.409 5.030
241 HZ3 LYS 32 2HZ LYS 32 -8.161 3.843 6.504
242 H HIS 33 H HIS 33 -9.653 -2.239 0.292
243 HA HIS 33 HA HIS 33 -11.385 -0.989 -1.821
244 HB2 HIS 33 1HB HIS 33 -8.750 -2.437 -2.182
245 HB3 HIS 33 2HB HIS 33 -9.744 -1.742 -3.454
246 HD1 HIS 33 1HD HIS 33 -10.303 1.141 -2.238
247 HD2 HIS 33 2HD HIS 33 -6.639 -0.907 -2.174
248 HE1 HIS 33 1HE HIS 33 -8.525 2.925 -1.949
249 H SER 34 H SER 34 -10.488 -4.006 -0.265
250 HA SER 34 HA SER 34 -11.428 -6.051 -0.207
251 HB2 SER 34 1HB SER 34 -13.881 -4.773 -1.453
252 HB3 SER 34 2HB SER 34 -13.815 -6.309 -0.581
253 HG SER 34 HG SER 34 -14.517 -4.580 0.754
254 H ASN 35 H ASN 35 -12.724 -7.800 -1.579
255 HA ASN 35 HA ASN 35 -11.213 -8.320 -3.999
256 HB2 ASN 35 1HB ASN 35 -11.942 -10.121 -2.499
257 HB3 ASN 35 2HB ASN 35 -13.635 -9.676 -2.737
258 HD21 ASN 35 1HD2 ASN 35 -10.723 -10.778 -4.571
259 HD22 ASN 35 2HD2 ASN 35 -11.670 -11.659 -5.759
260 H ILE 36 H ILE 36 -11.777 -8.044 -6.115
261 HA ILE 36 HA ILE 36 -13.986 -6.202 -6.677
262 HB ILE 36 HB ILE 36 -11.712 -5.756 -7.461
263 HG12 ILE 36 1HG1 ILE 36 -13.676 -6.093 -9.759
264 HG13 ILE 36 2HG1 ILE 36 -13.769 -4.820 -8.536
265 HG21 ILE 36 1HG2 ILE 36 -12.090 -8.039 -9.449
266 HG22 ILE 36 2HG2 ILE 36 -10.690 -6.959 -9.307
267 HG23 ILE 36 3HG2 ILE 36 -11.035 -8.114 -8.023
268 HD11 ILE 36 3HD1 ILE 36 -11.519 -5.216 -10.550
269 HD12 ILE 36 1HD1 ILE 36 -12.725 -3.922 -10.516
270 HD13 ILE 36 2HD1 ILE 36 -11.502 -4.016 -9.234
271 H LEU 37 H LEU 37 -15.672 -6.503 -8.059
272 HA LEU 37 HA LEU 37 -16.666 -9.245 -8.354
273 HB2 LEU 37 1HB LEU 37 -17.912 -6.512 -8.888
274 HB3 LEU 37 2HB LEU 37 -18.718 -8.027 -9.199
275 HG LEU 37 HG LEU 37 -19.584 -7.132 -7.205
276 HD11 LEU 37 1HD1 LEU 37 -17.751 -9.419 -6.396
277 HD12 LEU 37 2HD1 LEU 37 -19.279 -9.595 -7.289
278 HD13 LEU 37 3HD1 LEU 37 -19.283 -8.948 -5.640
279 HD21 LEU 37 3HD2 LEU 37 -16.846 -7.180 -5.893
280 HD22 LEU 37 1HD2 LEU 37 -18.380 -6.635 -5.200
281 HD23 LEU 37 2HD2 LEU 37 -17.644 -5.718 -6.526
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 20.707 6.354 0.469
2 H2 GLY 1 2H GLY 1 20.566 7.575 1.555
3 H3 GLY 1 3H GLY 1 20.690 7.910 -0.043
4 HA2 GLY 1 1HA GLY 1 18.567 6.878 -0.497
5 HA3 GLY 1 2HA GLY 1 18.437 6.490 1.228
6 H SER 2 H SER 2 16.732 8.190 -0.577
7 HA SER 2 HA SER 2 17.149 10.953 0.036
8 HB2 SER 2 1HB SER 2 14.610 9.568 -0.896
9 HB3 SER 2 2HB SER 2 14.990 11.295 -1.032
10 HG SER 2 HG SER 2 15.429 10.160 -2.982
11 H SER 3 H SER 3 15.580 8.491 1.914
12 HA SER 3 HA SER 3 14.556 10.504 3.867
13 HB2 SER 3 1HB SER 3 13.040 8.050 2.890
14 HB3 SER 3 2HB SER 3 12.536 9.131 4.203
15 HG SER 3 HG SER 3 11.525 9.657 2.207
16 H GLY 4 H GLY 4 14.459 9.804 6.027
17 HA2 GLY 4 1HA GLY 4 16.517 7.913 6.814
18 HA3 GLY 4 2HA GLY 4 15.503 8.893 7.870
19 H SER 5 H SER 5 13.293 7.284 6.025
20 HA SER 5 HA SER 5 12.338 5.655 8.106
21 HB2 SER 5 1HB SER 5 11.741 5.379 5.138
22 HB3 SER 5 2HB SER 5 10.731 4.821 6.486
23 HG SER 5 HG SER 5 10.018 6.848 5.679
24 H SER 6 H SER 6 12.281 3.461 8.518
25 HA SER 6 HA SER 6 14.481 1.808 7.534
26 HB2 SER 6 1HB SER 6 13.579 0.146 9.143
27 HB3 SER 6 2HB SER 6 13.960 1.715 9.868
28 HG SER 6 HG SER 6 11.925 0.914 10.568
29 H GLY 7 H GLY 7 14.211 -0.349 6.680
30 HA2 GLY 7 1HA GLY 7 13.410 -1.879 5.139
31 HA3 GLY 7 2HA GLY 7 11.780 -1.358 5.558
32 H HIS 8 H HIS 8 10.921 -1.294 3.518
33 HA HIS 8 HA HIS 8 11.657 1.029 1.862
34 HB2 HIS 8 1HB HIS 8 12.813 -1.016 0.904
35 HB3 HIS 8 2HB HIS 8 11.223 -1.715 0.618
36 HD1 HIS 8 1HD HIS 8 13.415 1.254 -0.536
37 HD2 HIS 8 2HD HIS 8 9.947 -0.886 -1.590
38 HE1 HIS 8 1HE HIS 8 12.756 2.065 -2.861
39 H LEU 9 H LEU 9 9.881 1.962 0.814
40 HA LEU 9 HA LEU 9 7.255 1.131 1.903
41 HB2 LEU 9 1HB LEU 9 8.233 3.723 0.665
42 HB3 LEU 9 2HB LEU 9 6.535 3.358 0.930
43 HG LEU 9 HG LEU 9 7.053 2.983 3.389
44 HD11 LEU 9 1HD1 LEU 9 9.030 4.201 4.289
45 HD12 LEU 9 2HD1 LEU 9 9.640 4.426 2.633
46 HD13 LEU 9 3HD1 LEU 9 9.518 2.800 3.343
47 HD21 LEU 9 3HD2 LEU 9 7.521 5.750 2.206
48 HD22 LEU 9 1HD2 LEU 9 7.006 5.398 3.871
49 HD23 LEU 9 2HD2 LEU 9 5.942 4.997 2.517
50 H TYR 10 H TYR 10 5.540 0.559 0.761
51 HA TYR 10 HA TYR 10 5.719 0.330 -2.218
52 HB2 TYR 10 1HB TYR 10 4.592 -1.657 -0.212
53 HB3 TYR 10 2HB TYR 10 4.339 -1.743 -1.949
54 HD1 TYR 10 1HD TYR 10 7.018 -1.768 0.667
55 HD2 TYR 10 2HD TYR 10 5.942 -2.773 -3.384
56 HE1 TYR 10 1HE TYR 10 9.160 -3.026 0.409
57 HE2 TYR 10 2HE TYR 10 8.078 -4.019 -3.643
58 HH TYR 10 HH TYR 10 10.049 -4.665 -2.645
59 H TYR 11 H TYR 11 3.871 0.816 -3.356
60 HA TYR 11 HA TYR 11 1.917 2.499 -1.871
61 HB2 TYR 11 1HB TYR 11 3.011 2.645 -4.694
62 HB3 TYR 11 2HB TYR 11 1.645 3.592 -4.131
63 HD1 TYR 11 2HD TYR 11 5.288 2.945 -3.444
64 HD2 TYR 11 1HD TYR 11 1.939 5.631 -2.977
65 HE1 TYR 11 2HE TYR 11 6.803 4.673 -2.494
66 HE2 TYR 11 1HE TYR 11 3.463 7.365 -2.051
67 HH TYR 11 HH TYR 11 5.613 7.894 -1.458
68 H CYS 12 H CYS 12 -0.224 2.499 -2.293
69 HA CYS 12 HA CYS 12 -1.532 0.063 -2.712
70 HB2 CYS 12 1HB CYS 12 -2.343 1.911 -1.370
71 HB3 CYS 12 2HB CYS 12 -2.497 2.940 -2.805
72 H SER 13 H SER 13 -2.902 -0.711 -4.261
73 HA SER 13 HA SER 13 -2.151 -0.241 -7.061
74 HB2 SER 13 1HB SER 13 -4.105 -2.208 -5.818
75 HB3 SER 13 2HB SER 13 -3.591 -2.196 -7.512
76 HG SER 13 HG SER 13 -1.459 -2.613 -6.819
77 H GLN 14 H GLN 14 -4.557 1.059 -4.999
78 HA GLN 14 HA GLN 14 -6.168 1.948 -7.377
79 HB2 GLN 14 1HB GLN 14 -7.225 1.137 -4.643
80 HB3 GLN 14 2HB GLN 14 -8.161 1.885 -5.920
81 HG2 GLN 14 1HG GLN 14 -8.731 -0.311 -6.205
82 HG3 GLN 14 2HG GLN 14 -7.480 -0.103 -7.419
83 HE21 GLN 14 1HE2 GLN 14 -7.505 -2.560 -7.264
84 HE22 GLN 14 2HE2 GLN 14 -6.551 -3.293 -5.981
85 H CYS 15 H CYS 15 -4.474 3.075 -4.532
86 HA CYS 15 HA CYS 15 -5.351 5.822 -5.148
87 HB2 CYS 15 1HB CYS 15 -6.136 6.356 -2.982
88 HB3 CYS 15 2HB CYS 15 -6.990 4.913 -3.499
89 H HIS 16 H HIS 16 -4.272 7.160 -3.042
90 HA HIS 16 HA HIS 16 -1.437 7.121 -3.797
91 HB2 HIS 16 1HB HIS 16 -3.003 9.089 -2.093
92 HB3 HIS 16 2HB HIS 16 -1.384 9.330 -2.747
93 HD1 HIS 16 1HD HIS 16 -4.791 10.292 -3.561
94 HD2 HIS 16 2HD HIS 16 -1.407 8.981 -5.694
95 HE1 HIS 16 1HE HIS 16 -5.152 11.006 -5.980
96 H TYR 17 H TYR 17 -3.046 5.543 -1.332
97 HA TYR 17 HA TYR 17 -1.427 6.058 0.964
98 HB2 TYR 17 1HB TYR 17 -3.610 4.975 1.062
99 HB3 TYR 17 2HB TYR 17 -3.013 3.617 0.119
100 HD1 TYR 17 1HD TYR 17 -2.826 5.311 3.428
101 HD2 TYR 17 2HD TYR 17 -1.752 1.822 1.126
102 HE1 TYR 17 1HE TYR 17 -2.163 4.132 5.519
103 HE2 TYR 17 2HE TYR 17 -1.092 0.647 3.225
104 HH TYR 17 HH TYR 17 -1.348 2.197 6.439
105 H SER 18 H SER 18 0.242 4.837 1.941
106 HA SER 18 HA SER 18 1.514 2.668 0.475
107 HB2 SER 18 1HB SER 18 3.788 3.589 0.575
108 HB3 SER 18 2HB SER 18 2.734 4.556 -0.459
109 HG SER 18 HG SER 18 2.543 6.078 1.201
110 H SER 19 H SER 19 2.993 1.422 1.699
111 HA SER 19 HA SER 19 3.242 1.952 4.598
112 HB2 SER 19 1HB SER 19 1.128 0.628 4.262
113 HB3 SER 19 2HB SER 19 2.116 -0.690 3.599
114 HG SER 19 HG SER 19 1.608 -0.700 5.956
115 H ILE 20 H ILE 20 4.809 0.495 5.642
116 HA ILE 20 HA ILE 20 7.107 -0.052 3.904
117 HB ILE 20 HB ILE 20 8.224 -0.832 5.991
118 HG12 ILE 20 1HG1 ILE 20 5.798 0.343 7.430
119 HG13 ILE 20 2HG1 ILE 20 6.172 -1.377 7.333
120 HG21 ILE 20 1HG2 ILE 20 8.650 1.459 6.734
121 HG22 ILE 20 2HG2 ILE 20 8.470 1.411 4.989
122 HG23 ILE 20 3HG2 ILE 20 7.132 2.015 5.993
123 HD11 ILE 20 3HD1 ILE 20 7.840 0.742 8.734
124 HD12 ILE 20 1HD1 ILE 20 6.909 -0.571 9.465
125 HD13 ILE 20 2HD1 ILE 20 8.347 -0.950 8.497
126 H THR 21 H THR 21 7.677 -1.837 3.057
127 HA THR 21 HA THR 21 7.511 -3.726 2.003
128 HB THR 21 HB THR 21 8.446 -4.623 4.072
129 HG1 THR 21 1HG THR 21 8.146 -6.729 3.284
130 HG21 THR 21 3HG2 THR 21 6.571 -4.800 5.613
131 HG22 THR 21 1HG2 THR 21 7.143 -6.415 5.213
132 HG23 THR 21 2HG2 THR 21 5.657 -5.800 4.463
133 H LYS 22 H LYS 22 6.367 -5.018 0.736
134 HA LYS 22 HA LYS 22 3.689 -4.269 0.211
135 HB2 LYS 22 1HB LYS 22 3.735 -5.716 -1.617
136 HB3 LYS 22 2HB LYS 22 5.354 -5.084 -1.471
137 HG2 LYS 22 1HG LYS 22 4.380 -7.871 -0.699
138 HG3 LYS 22 2HG LYS 22 5.332 -7.444 -2.109
139 HD2 LYS 22 1HD LYS 22 6.299 -7.329 0.776
140 HD3 LYS 22 2HD LYS 22 6.685 -8.568 -0.407
141 HE2 LYS 22 1HE LYS 22 7.896 -7.018 -1.809
142 HE3 LYS 22 2HE LYS 22 7.354 -5.634 -0.863
143 HZ1 LYS 22 3HZ LYS 22 9.598 -6.248 -0.241
144 HZ2 LYS 22 1HZ LYS 22 9.154 -7.776 0.130
145 HZ3 LYS 22 2HZ LYS 22 8.614 -6.528 1.043
146 H ASN 23 H ASN 23 4.810 -6.843 2.276
147 HA ASN 23 HA ASN 23 2.378 -8.396 2.295
148 HB2 ASN 23 1HB ASN 23 4.660 -8.148 4.310
149 HB3 ASN 23 2HB ASN 23 3.356 -9.322 4.425
150 HD21 ASN 23 1HD2 ASN 23 5.755 -10.420 4.447
151 HD22 ASN 23 2HD2 ASN 23 6.123 -11.149 2.892
152 H CYS 24 H CYS 24 3.445 -5.583 4.219
153 HA CYS 24 HA CYS 24 1.134 -5.653 6.005
154 HB2 CYS 24 1HB CYS 24 3.271 -3.554 5.449
155 HB3 CYS 24 2HB CYS 24 2.075 -3.455 6.747
156 HG CYS 24 HG CYS 24 4.451 -4.167 7.681
157 H LEU 25 H LEU 25 1.966 -3.986 2.979
158 HA LEU 25 HA LEU 25 -0.112 -2.143 2.841
159 HB2 LEU 25 1HB LEU 25 1.870 -2.149 1.397
160 HB3 LEU 25 2HB LEU 25 1.362 -3.673 0.674
161 HG LEU 25 HG LEU 25 -0.633 -2.549 -0.313
162 HD11 LEU 25 1HD1 LEU 25 -0.650 -0.067 -0.418
163 HD12 LEU 25 2HD1 LEU 25 0.683 -0.010 0.757
164 HD13 LEU 25 3HD1 LEU 25 -0.911 -0.658 1.225
165 HD21 LEU 25 3HD2 LEU 25 0.586 -1.414 -2.052
166 HD22 LEU 25 1HD2 LEU 25 1.481 -2.853 -1.555
167 HD23 LEU 25 2HD2 LEU 25 2.013 -1.249 -1.003
168 H LYS 26 H LYS 26 -0.196 -5.624 2.032
169 HA LYS 26 HA LYS 26 -2.583 -5.781 0.553
170 HB2 LYS 26 1HB LYS 26 -1.658 -7.720 2.729
171 HB3 LYS 26 2HB LYS 26 -2.846 -8.075 1.487
172 HG2 LYS 26 1HG LYS 26 0.121 -7.595 1.110
173 HG3 LYS 26 2HG LYS 26 -0.744 -9.102 0.918
174 HD2 LYS 26 1HD LYS 26 -1.001 -6.657 -0.890
175 HD3 LYS 26 2HD LYS 26 -0.131 -8.151 -1.244
176 HE2 LYS 26 1HE LYS 26 -2.278 -9.431 -1.039
177 HE3 LYS 26 2HE LYS 26 -3.142 -7.907 -0.794
178 HZ1 LYS 26 3HZ LYS 26 -2.378 -7.208 -3.014
179 HZ2 LYS 26 1HZ LYS 26 -3.222 -8.604 -3.118
180 HZ3 LYS 26 2HZ LYS 26 -1.596 -8.627 -3.231
181 H ARG 27 H ARG 27 -2.286 -5.421 4.051
182 HA ARG 27 HA ARG 27 -4.994 -5.949 4.797
183 HB2 ARG 27 1HB ARG 27 -3.041 -4.002 6.094
184 HB3 ARG 27 2HB ARG 27 -4.420 -4.768 6.878
185 HG2 ARG 27 1HG ARG 27 -3.362 -6.980 6.703
186 HG3 ARG 27 2HG ARG 27 -1.980 -6.299 5.836
187 HD2 ARG 27 1HD ARG 27 -2.794 -5.620 8.681
188 HD3 ARG 27 2HD ARG 27 -1.441 -6.659 8.193
189 HE ARG 27 HE ARG 27 -1.043 -4.204 6.881
190 HH11 ARG 27 2HH1 ARG 27 -1.013 -5.309 10.207
191 HH12 ARG 27 1HH1 ARG 27 -0.077 -3.943 10.749
192 HH21 ARG 27 2HH2 ARG 27 0.012 -2.420 7.665
193 HH22 ARG 27 1HH2 ARG 27 0.523 -2.369 9.326
194 H HIS 28 H HIS 28 -3.522 -2.965 3.560
195 HA HIS 28 HA HIS 28 -5.862 -1.280 4.030
196 HB2 HIS 28 1HB HIS 28 -3.751 -0.196 3.832
197 HB3 HIS 28 2HB HIS 28 -3.351 -1.037 2.340
198 HD1 HIS 28 1HD HIS 28 -5.416 1.947 3.534
199 HD2 HIS 28 2HD HIS 28 -4.320 -0.130 0.052
200 HE1 HIS 28 1HE HIS 28 -6.141 3.419 1.597
201 H VAL 29 H VAL 29 -4.577 -3.086 1.194
202 HA VAL 29 HA VAL 29 -6.672 -2.346 -0.608
203 HB VAL 29 HB VAL 29 -4.960 -4.864 -0.651
204 HG11 VAL 29 1HG1 VAL 29 -5.365 -4.793 -3.101
205 HG12 VAL 29 2HG1 VAL 29 -6.868 -5.033 -2.206
206 HG13 VAL 29 3HG1 VAL 29 -6.483 -3.431 -2.873
207 HG21 VAL 29 3HG2 VAL 29 -3.530 -2.848 -0.616
208 HG22 VAL 29 1HG2 VAL 29 -3.516 -3.584 -2.219
209 HG23 VAL 29 2HG2 VAL 29 -4.491 -2.129 -1.929
210 H ILE 30 H ILE 30 -6.367 -5.165 1.554
211 HA ILE 30 HA ILE 30 -8.768 -6.520 0.913
212 HB ILE 30 HB ILE 30 -7.100 -6.320 3.444
213 HG12 ILE 30 1HG1 ILE 30 -7.452 -8.668 1.537
214 HG13 ILE 30 2HG1 ILE 30 -6.237 -7.441 1.258
215 HG21 ILE 30 1HG2 ILE 30 -8.282 -8.350 4.290
216 HG22 ILE 30 2HG2 ILE 30 -9.339 -6.956 4.220
217 HG23 ILE 30 3HG2 ILE 30 -9.449 -8.206 2.961
218 HD11 ILE 30 3HD1 ILE 30 -5.181 -9.300 2.342
219 HD12 ILE 30 1HD1 ILE 30 -5.230 -7.966 3.506
220 HD13 ILE 30 2HD1 ILE 30 -6.372 -9.320 3.649
221 H GLN 31 H GLN 31 -8.268 -3.828 3.233
222 HA GLN 31 HA GLN 31 -11.067 -4.000 4.130
223 HB2 GLN 31 1HB GLN 31 -8.701 -2.291 4.959
224 HB3 GLN 31 2HB GLN 31 -10.314 -2.140 5.667
225 HG2 GLN 31 1HG GLN 31 -10.280 -4.461 6.433
226 HG3 GLN 31 2HG GLN 31 -8.714 -4.737 5.666
227 HE21 GLN 31 1HE2 GLN 31 -6.863 -3.411 6.448
228 HE22 GLN 31 2HE2 GLN 31 -6.851 -2.935 8.155
229 H LYS 32 H LYS 32 -9.190 -1.799 2.063
230 HA LYS 32 HA LYS 32 -11.454 0.149 2.039
231 HB2 LYS 32 1HB LYS 32 -8.578 0.463 1.100
232 HB3 LYS 32 2HB LYS 32 -9.785 1.737 1.205
233 HG2 LYS 32 1HG LYS 32 -8.577 0.220 3.559
234 HG3 LYS 32 2HG LYS 32 -8.226 1.874 3.062
235 HD2 LYS 32 1HD LYS 32 -10.601 2.506 3.525
236 HD3 LYS 32 2HD LYS 32 -10.901 0.857 4.121
237 HE2 LYS 32 1HE LYS 32 -9.130 1.147 5.832
238 HE3 LYS 32 2HE LYS 32 -8.827 2.788 5.247
239 HZ1 LYS 32 3HZ LYS 32 -11.113 3.364 5.872
240 HZ2 LYS 32 1HZ LYS 32 -10.307 2.796 7.171
241 HZ3 LYS 32 2HZ LYS 32 -11.397 1.848 6.412
242 H HIS 33 H HIS 33 -10.084 -2.177 -0.136
243 HA HIS 33 HA HIS 33 -11.511 -0.894 -2.433
244 HB2 HIS 33 1HB HIS 33 -8.745 -2.140 -2.504
245 HB3 HIS 33 2HB HIS 33 -9.602 -1.409 -3.857
246 HD1 HIS 33 1HD HIS 33 -10.464 1.369 -2.694
247 HD2 HIS 33 2HD HIS 33 -6.797 -0.536 -1.951
248 HE1 HIS 33 1HE HIS 33 -8.862 3.211 -2.010
249 H SER 34 H SER 34 -11.732 -2.354 -4.334
250 HA SER 34 HA SER 34 -13.210 -4.687 -3.581
251 HB2 SER 34 1HB SER 34 -12.295 -3.802 -6.343
252 HB3 SER 34 2HB SER 34 -13.584 -4.964 -5.975
253 HG SER 34 HG SER 34 -14.404 -2.851 -6.384
254 H ASN 35 H ASN 35 -12.882 -6.876 -4.026
255 HA ASN 35 HA ASN 35 -10.116 -7.821 -4.005
256 HB2 ASN 35 1HB ASN 35 -12.817 -9.240 -4.045
257 HB3 ASN 35 2HB ASN 35 -11.273 -10.081 -3.976
258 HD21 ASN 35 1HD2 ASN 35 -13.147 -10.486 -1.986
259 HD22 ASN 35 2HD2 ASN 35 -12.525 -9.776 -0.502
260 H ILE 36 H ILE 36 -12.614 -7.529 -6.505
261 HA ILE 36 HA ILE 36 -11.220 -9.149 -8.447
262 HB ILE 36 HB ILE 36 -13.660 -8.913 -8.376
263 HG12 ILE 36 1HG1 ILE 36 -14.137 -8.551 -10.721
264 HG13 ILE 36 2HG1 ILE 36 -12.545 -7.847 -10.999
265 HG21 ILE 36 1HG2 ILE 36 -13.272 -6.038 -9.315
266 HG22 ILE 36 2HG2 ILE 36 -14.811 -6.902 -9.158
267 HG23 ILE 36 3HG2 ILE 36 -13.868 -6.536 -7.717
268 HD11 ILE 36 3HD1 ILE 36 -13.072 -10.711 -10.065
269 HD12 ILE 36 1HD1 ILE 36 -12.719 -10.223 -11.734
270 HD13 ILE 36 2HD1 ILE 36 -11.483 -10.027 -10.484
271 H LEU 37 H LEU 37 -10.101 -8.498 -10.271
272 HA LEU 37 HA LEU 37 -9.311 -5.719 -10.707
273 HB2 LEU 37 1HB LEU 37 -6.874 -6.236 -10.549
274 HB3 LEU 37 2HB LEU 37 -7.741 -6.207 -9.031
275 HG LEU 37 HG LEU 37 -7.716 -8.699 -8.946
276 HD11 LEU 37 1HD1 LEU 37 -6.083 -9.896 -10.413
277 HD12 LEU 37 2HD1 LEU 37 -5.957 -8.436 -11.422
278 HD13 LEU 37 3HD1 LEU 37 -7.496 -9.320 -11.293
279 HD21 LEU 37 3HD2 LEU 37 -6.006 -7.324 -7.831
280 HD22 LEU 37 1HD2 LEU 37 -5.006 -7.361 -9.300
281 HD23 LEU 37 2HD2 LEU 37 -5.332 -8.857 -8.397
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 16.512 11.814 -1.887
2 H2 GLY 1 2H GLY 1 17.330 13.232 -1.960
3 H3 GLY 1 3H GLY 1 16.003 13.097 -1.006
4 HA2 GLY 1 1HA GLY 1 18.539 11.647 -0.607
5 HA3 GLY 1 2HA GLY 1 18.011 13.056 0.332
6 H SER 2 H SER 2 18.639 10.373 1.308
7 HA SER 2 HA SER 2 16.412 8.729 1.729
8 HB2 SER 2 1HB SER 2 18.823 9.048 3.550
9 HB3 SER 2 2HB SER 2 17.766 7.629 3.418
10 HG SER 2 HG SER 2 19.698 7.398 2.185
11 H SER 3 H SER 3 17.189 11.674 3.471
12 HA SER 3 HA SER 3 15.544 11.183 5.810
13 HB2 SER 3 1HB SER 3 15.795 13.654 6.106
14 HB3 SER 3 2HB SER 3 17.328 12.780 5.930
15 HG SER 3 HG SER 3 17.243 14.693 4.637
16 H GLY 4 H GLY 4 14.900 12.390 2.558
17 HA2 GLY 4 1HA GLY 4 12.111 13.198 3.216
18 HA3 GLY 4 2HA GLY 4 12.962 13.427 1.690
19 H SER 5 H SER 5 13.887 10.645 1.490
20 HA SER 5 HA SER 5 11.314 9.239 0.820
21 HB2 SER 5 1HB SER 5 13.954 9.248 -0.685
22 HB3 SER 5 2HB SER 5 12.541 8.250 -1.073
23 HG SER 5 HG SER 5 12.667 11.102 -1.054
24 H SER 6 H SER 6 11.102 7.873 2.531
25 HA SER 6 HA SER 6 13.250 6.361 3.701
26 HB2 SER 6 1HB SER 6 10.255 5.880 3.859
27 HB3 SER 6 2HB SER 6 11.490 5.189 4.927
28 HG SER 6 HG SER 6 10.504 7.056 5.840
29 H GLY 7 H GLY 7 13.711 4.156 3.627
30 HA2 GLY 7 1HA GLY 7 13.447 2.823 1.069
31 HA3 GLY 7 2HA GLY 7 14.206 2.181 2.521
32 H HIS 8 H HIS 8 12.788 0.592 0.850
33 HA HIS 8 HA HIS 8 11.157 -0.916 0.610
34 HB2 HIS 8 1HB HIS 8 10.883 -2.377 2.480
35 HB3 HIS 8 2HB HIS 8 12.542 -1.837 2.292
36 HD1 HIS 8 1HD HIS 8 13.648 -0.724 4.421
37 HD2 HIS 8 2HD HIS 8 9.490 -1.304 4.642
38 HE1 HIS 8 1HE HIS 8 12.981 -0.198 6.826
39 H LEU 9 H LEU 9 9.970 1.664 0.759
40 HA LEU 9 HA LEU 9 7.257 1.178 1.816
41 HB2 LEU 9 1HB LEU 9 8.467 3.460 0.220
42 HB3 LEU 9 2HB LEU 9 6.750 3.354 0.589
43 HG LEU 9 HG LEU 9 8.949 3.507 2.696
44 HD11 LEU 9 1HD1 LEU 9 8.080 5.804 3.046
45 HD12 LEU 9 2HD1 LEU 9 6.972 5.593 1.674
46 HD13 LEU 9 3HD1 LEU 9 8.730 5.592 1.410
47 HD21 LEU 9 3HD2 LEU 9 6.949 2.370 3.579
48 HD22 LEU 9 1HD2 LEU 9 5.904 3.653 2.933
49 HD23 LEU 9 2HD2 LEU 9 7.056 3.996 4.242
50 H TYR 10 H TYR 10 5.534 0.592 0.750
51 HA TYR 10 HA TYR 10 5.593 0.145 -2.204
52 HB2 TYR 10 1HB TYR 10 4.396 -1.607 -0.024
53 HB3 TYR 10 2HB TYR 10 3.967 -1.731 -1.722
54 HD1 TYR 10 1HD TYR 10 6.950 -1.900 0.557
55 HD2 TYR 10 2HD TYR 10 5.190 -3.091 -3.194
56 HE1 TYR 10 1HE TYR 10 8.872 -3.434 0.142
57 HE2 TYR 10 2HE TYR 10 7.099 -4.631 -3.602
58 HH TYR 10 HH TYR 10 9.086 -5.456 -2.808
59 H TYR 11 H TYR 11 3.611 0.574 -3.275
60 HA TYR 11 HA TYR 11 1.841 2.477 -1.796
61 HB2 TYR 11 1HB TYR 11 2.994 2.751 -4.587
62 HB3 TYR 11 2HB TYR 11 1.846 3.847 -3.835
63 HD1 TYR 11 1HD TYR 11 5.350 2.555 -3.644
64 HD2 TYR 11 2HD TYR 11 2.559 5.573 -2.325
65 HE1 TYR 11 1HE TYR 11 7.222 3.845 -2.627
66 HE2 TYR 11 2HE TYR 11 4.438 6.881 -1.354
67 HH TYR 11 HH TYR 11 6.698 6.983 -0.977
68 H CYS 12 H CYS 12 -0.269 2.359 -2.074
69 HA CYS 12 HA CYS 12 -1.595 0.166 -3.256
70 HB2 CYS 12 1HB CYS 12 -2.344 1.586 -1.358
71 HB3 CYS 12 2HB CYS 12 -2.611 2.922 -2.483
72 H SER 13 H SER 13 -2.141 -0.260 -5.309
73 HA SER 13 HA SER 13 -1.722 1.606 -7.484
74 HB2 SER 13 1HB SER 13 -1.488 -0.924 -7.534
75 HB3 SER 13 2HB SER 13 -3.256 -1.011 -7.597
76 HG SER 13 HG SER 13 -2.265 -1.042 -9.686
77 H GLN 14 H GLN 14 -4.337 1.206 -5.324
78 HA GLN 14 HA GLN 14 -6.422 2.159 -7.209
79 HB2 GLN 14 1HB GLN 14 -6.584 1.246 -4.319
80 HB3 GLN 14 2HB GLN 14 -7.939 1.745 -5.303
81 HG2 GLN 14 1HG GLN 14 -7.904 -0.641 -5.167
82 HG3 GLN 14 2HG GLN 14 -7.602 -0.139 -6.828
83 HE21 GLN 14 1HE2 GLN 14 -5.246 -0.533 -4.005
84 HE22 GLN 14 2HE2 GLN 14 -4.358 -1.784 -4.847
85 H CYS 15 H CYS 15 -4.652 3.313 -4.317
86 HA CYS 15 HA CYS 15 -5.800 6.025 -4.727
87 HB2 CYS 15 1HB CYS 15 -6.521 6.219 -2.468
88 HB3 CYS 15 2HB CYS 15 -7.253 4.776 -3.162
89 H HIS 16 H HIS 16 -2.953 4.466 -4.530
90 HA HIS 16 HA HIS 16 -0.856 4.941 -4.073
91 HB2 HIS 16 1HB HIS 16 -1.562 6.881 -5.547
92 HB3 HIS 16 2HB HIS 16 -1.511 7.880 -4.096
93 HD1 HIS 16 1HD HIS 16 0.906 5.543 -6.083
94 HD2 HIS 16 2HD HIS 16 0.840 8.917 -3.567
95 HE1 HIS 16 1HE HIS 16 3.309 6.392 -5.961
96 H TYR 17 H TYR 17 -2.794 4.893 -1.635
97 HA TYR 17 HA TYR 17 -1.434 6.053 0.583
98 HB2 TYR 17 1HB TYR 17 -3.587 5.016 0.851
99 HB3 TYR 17 2HB TYR 17 -3.004 3.489 0.200
100 HD1 TYR 17 1HD TYR 17 -2.915 5.722 3.170
101 HD2 TYR 17 2HD TYR 17 -1.836 1.875 1.540
102 HE1 TYR 17 1HE TYR 17 -2.399 4.887 5.463
103 HE2 TYR 17 2HE TYR 17 -1.334 1.040 3.827
104 HH TYR 17 HH TYR 17 -1.275 1.538 6.070
105 H SER 18 H SER 18 0.434 5.526 1.676
106 HA SER 18 HA SER 18 2.165 3.427 0.493
107 HB2 SER 18 1HB SER 18 4.033 4.671 1.453
108 HB3 SER 18 2HB SER 18 3.057 5.638 0.335
109 HG SER 18 HG SER 18 3.571 6.807 2.239
110 H SER 19 H SER 19 3.136 1.849 1.642
111 HA SER 19 HA SER 19 2.936 1.791 4.599
112 HB2 SER 19 1HB SER 19 0.950 0.538 3.490
113 HB3 SER 19 2HB SER 19 2.162 -0.654 2.993
114 HG SER 19 HG SER 19 1.416 0.152 5.624
115 H ILE 20 H ILE 20 4.425 0.323 5.606
116 HA ILE 20 HA ILE 20 6.907 -0.120 4.084
117 HB ILE 20 HB ILE 20 7.832 -0.945 6.203
118 HG12 ILE 20 1HG1 ILE 20 6.106 0.091 8.183
119 HG13 ILE 20 2HG1 ILE 20 5.044 -0.868 7.168
120 HG21 ILE 20 1HG2 ILE 20 7.982 1.253 7.255
121 HG22 ILE 20 2HG2 ILE 20 8.077 1.373 5.497
122 HG23 ILE 20 3HG2 ILE 20 6.571 1.816 6.337
123 HD11 ILE 20 3HD1 ILE 20 7.616 -1.824 8.495
124 HD12 ILE 20 1HD1 ILE 20 5.956 -2.222 8.983
125 HD13 ILE 20 2HD1 ILE 20 6.593 -2.823 7.440
126 H THR 21 H THR 21 7.382 -1.872 3.031
127 HA THR 21 HA THR 21 7.272 -3.873 2.044
128 HB THR 21 HB THR 21 7.009 -5.897 3.115
129 HG1 THR 21 1HG THR 21 5.536 -4.477 5.039
130 HG21 THR 21 3HG2 THR 21 8.336 -5.782 5.120
131 HG22 THR 21 1HG2 THR 21 7.975 -4.059 5.339
132 HG23 THR 21 2HG2 THR 21 8.958 -4.595 3.956
133 H LYS 22 H LYS 22 5.967 -5.373 0.883
134 HA LYS 22 HA LYS 22 3.346 -4.414 0.177
135 HB2 LYS 22 1HB LYS 22 4.979 -5.601 -1.316
136 HB3 LYS 22 2HB LYS 22 4.625 -7.105 -0.454
137 HG2 LYS 22 1HG LYS 22 2.267 -6.986 -1.188
138 HG3 LYS 22 2HG LYS 22 2.545 -5.386 -1.889
139 HD2 LYS 22 1HD LYS 22 2.491 -7.029 -3.654
140 HD3 LYS 22 2HD LYS 22 4.131 -6.375 -3.524
141 HE2 LYS 22 1HE LYS 22 4.834 -8.391 -2.247
142 HE3 LYS 22 2HE LYS 22 3.182 -9.020 -2.320
143 HZ1 LYS 22 3HZ LYS 22 4.584 -9.994 -4.049
144 HZ2 LYS 22 1HZ LYS 22 4.923 -8.530 -4.681
145 HZ3 LYS 22 2HZ LYS 22 3.400 -9.117 -4.747
146 H ASN 23 H ASN 23 4.402 -6.746 2.575
147 HA ASN 23 HA ASN 23 1.945 -8.202 2.831
148 HB2 ASN 23 1HB ASN 23 4.252 -8.920 3.579
149 HB3 ASN 23 2HB ASN 23 4.144 -7.760 4.906
150 HD21 ASN 23 1HD2 ASN 23 2.625 -10.699 3.509
151 HD22 ASN 23 2HD2 ASN 23 1.952 -11.235 5.038
152 H CYS 24 H CYS 24 3.107 -5.223 4.480
153 HA CYS 24 HA CYS 24 0.677 -4.974 6.093
154 HB2 CYS 24 1HB CYS 24 2.861 -2.979 5.412
155 HB3 CYS 24 2HB CYS 24 1.578 -2.726 6.598
156 HG CYS 24 HG CYS 24 3.949 -3.315 7.719
157 H LEU 25 H LEU 25 1.796 -3.576 2.957
158 HA LEU 25 HA LEU 25 -0.397 -1.927 2.508
159 HB2 LEU 25 1HB LEU 25 1.681 -1.912 1.164
160 HB3 LEU 25 2HB LEU 25 1.261 -3.489 0.497
161 HG LEU 25 HG LEU 25 -0.751 -2.516 -0.589
162 HD11 LEU 25 1HD1 LEU 25 -0.966 -0.058 -0.740
163 HD12 LEU 25 2HD1 LEU 25 0.325 0.144 0.460
164 HD13 LEU 25 3HD1 LEU 25 -1.224 -0.613 0.910
165 HD21 LEU 25 3HD2 LEU 25 1.782 -0.989 -1.216
166 HD22 LEU 25 1HD2 LEU 25 0.421 -1.307 -2.314
167 HD23 LEU 25 2HD2 LEU 25 1.434 -2.648 -1.757
168 H LYS 26 H LYS 26 -0.100 -5.439 1.773
169 HA LYS 26 HA LYS 26 -2.520 -5.665 0.346
170 HB2 LYS 26 1HB LYS 26 -0.607 -7.369 0.613
171 HB3 LYS 26 2HB LYS 26 -1.359 -7.843 2.133
172 HG2 LYS 26 1HG LYS 26 -2.001 -9.375 0.374
173 HG3 LYS 26 2HG LYS 26 -3.437 -8.470 0.870
174 HD2 LYS 26 1HD LYS 26 -3.311 -7.067 -1.137
175 HD3 LYS 26 2HD LYS 26 -1.713 -7.708 -1.530
176 HE2 LYS 26 1HE LYS 26 -3.301 -8.693 -3.013
177 HE3 LYS 26 2HE LYS 26 -2.697 -9.949 -1.932
178 HZ1 LYS 26 3HZ LYS 26 -5.151 -9.953 -2.296
179 HZ2 LYS 26 1HZ LYS 26 -5.275 -8.528 -1.523
180 HZ3 LYS 26 2HZ LYS 26 -4.754 -9.857 -0.707
181 H ARG 27 H ARG 27 -2.075 -5.604 3.848
182 HA ARG 27 HA ARG 27 -4.820 -6.279 4.547
183 HB2 ARG 27 1HB ARG 27 -2.682 -4.728 6.073
184 HB3 ARG 27 2HB ARG 27 -4.241 -5.210 6.739
185 HG2 ARG 27 1HG ARG 27 -3.704 -7.585 6.426
186 HG3 ARG 27 2HG ARG 27 -2.140 -7.162 5.700
187 HD2 ARG 27 1HD ARG 27 -1.447 -6.042 7.795
188 HD3 ARG 27 2HD ARG 27 -3.024 -6.369 8.507
189 HE ARG 27 HE ARG 27 -2.397 -8.530 8.983
190 HH11 ARG 27 2HH1 ARG 27 -0.077 -7.427 6.576
191 HH12 ARG 27 1HH1 ARG 27 1.084 -8.637 7.032
192 HH21 ARG 27 2HH2 ARG 27 -0.889 -10.118 9.405
193 HH22 ARG 27 1HH2 ARG 27 0.613 -10.134 8.525
194 H HIS 28 H HIS 28 -3.282 -3.201 3.623
195 HA HIS 28 HA HIS 28 -5.646 -1.578 4.180
196 HB2 HIS 28 1HB HIS 28 -3.647 -0.362 3.993
197 HB3 HIS 28 2HB HIS 28 -3.137 -1.181 2.532
198 HD1 HIS 28 1HD HIS 28 -5.261 1.758 3.620
199 HD2 HIS 28 2HD HIS 28 -4.221 -0.407 0.174
200 HE1 HIS 28 1HE HIS 28 -6.047 3.164 1.661
201 H VAL 29 H VAL 29 -4.401 -3.251 1.239
202 HA VAL 29 HA VAL 29 -6.563 -2.497 -0.458
203 HB VAL 29 HB VAL 29 -4.820 -4.985 -0.609
204 HG11 VAL 29 1HG1 VAL 29 -6.814 -5.254 -2.038
205 HG12 VAL 29 2HG1 VAL 29 -6.539 -3.648 -2.746
206 HG13 VAL 29 3HG1 VAL 29 -5.382 -4.969 -3.025
207 HG21 VAL 29 3HG2 VAL 29 -3.503 -2.876 -0.700
208 HG22 VAL 29 1HG2 VAL 29 -3.526 -3.678 -2.267
209 HG23 VAL 29 2HG2 VAL 29 -4.563 -2.264 -1.980
210 H ILE 30 H ILE 30 -6.237 -5.415 1.590
211 HA ILE 30 HA ILE 30 -8.715 -6.640 0.969
212 HB ILE 30 HB ILE 30 -6.940 -6.655 3.429
213 HG12 ILE 30 1HG1 ILE 30 -7.525 -8.879 1.426
214 HG13 ILE 30 2HG1 ILE 30 -6.248 -7.707 1.160
215 HG21 ILE 30 1HG2 ILE 30 -9.170 -7.199 4.293
216 HG22 ILE 30 2HG2 ILE 30 -9.417 -8.381 2.988
217 HG23 ILE 30 3HG2 ILE 30 -8.197 -8.652 4.248
218 HD11 ILE 30 3HD1 ILE 30 -5.164 -8.405 3.308
219 HD12 ILE 30 1HD1 ILE 30 -6.389 -9.686 3.470
220 HD13 ILE 30 2HD1 ILE 30 -5.275 -9.698 2.100
221 H GLN 31 H GLN 31 -8.040 -4.088 3.403
222 HA GLN 31 HA GLN 31 -10.796 -4.203 4.408
223 HB2 GLN 31 1HB GLN 31 -8.372 -2.520 5.110
224 HB3 GLN 31 2HB GLN 31 -9.946 -2.329 5.891
225 HG2 GLN 31 1HG GLN 31 -9.924 -4.632 6.694
226 HG3 GLN 31 2HG GLN 31 -8.418 -4.967 5.836
227 HE21 GLN 31 1HE2 GLN 31 -6.486 -3.686 6.480
228 HE22 GLN 31 2HE2 GLN 31 -6.349 -3.189 8.177
229 H LYS 32 H LYS 32 -9.004 -2.017 2.248
230 HA LYS 32 HA LYS 32 -11.260 -0.059 2.323
231 HB2 LYS 32 1HB LYS 32 -8.415 0.246 1.294
232 HB3 LYS 32 2HB LYS 32 -9.615 1.523 1.423
233 HG2 LYS 32 1HG LYS 32 -8.353 0.013 3.754
234 HG3 LYS 32 2HG LYS 32 -8.010 1.664 3.240
235 HD2 LYS 32 1HD LYS 32 -10.369 2.308 3.755
236 HD3 LYS 32 2HD LYS 32 -10.657 0.667 4.378
237 HE2 LYS 32 1HE LYS 32 -8.840 0.971 6.036
238 HE3 LYS 32 2HE LYS 32 -8.547 2.603 5.422
239 HZ1 LYS 32 3HZ LYS 32 -10.809 3.199 6.102
240 HZ2 LYS 32 1HZ LYS 32 -9.973 2.642 7.386
241 HZ3 LYS 32 2HZ LYS 32 -11.088 1.692 6.670
242 H HIS 33 H HIS 33 -9.993 -2.383 0.085
243 HA HIS 33 HA HIS 33 -11.560 -1.101 -2.118
244 HB2 HIS 33 1HB HIS 33 -8.823 -2.371 -2.406
245 HB3 HIS 33 2HB HIS 33 -9.781 -1.610 -3.674
246 HD1 HIS 33 1HD HIS 33 -10.471 1.177 -2.621
247 HD2 HIS 33 2HD HIS 33 -6.878 -0.811 -1.754
248 HE1 HIS 33 1HE HIS 33 -8.834 2.987 -1.935
249 H SER 34 H SER 34 -12.028 -2.542 -3.955
250 HA SER 34 HA SER 34 -13.247 -4.998 -2.906
251 HB2 SER 34 1HB SER 34 -14.513 -4.923 -5.038
252 HB3 SER 34 2HB SER 34 -14.642 -3.435 -4.087
253 HG SER 34 HG SER 34 -14.223 -3.018 -6.320
254 H ASN 35 H ASN 35 -10.414 -4.327 -4.780
255 HA ASN 35 HA ASN 35 -10.478 -6.774 -6.352
256 HB2 ASN 35 1HB ASN 35 -8.279 -6.059 -7.140
257 HB3 ASN 35 2HB ASN 35 -9.462 -4.765 -7.258
258 HD21 ASN 35 1HD2 ASN 35 -6.290 -5.417 -6.349
259 HD22 ASN 35 2HD2 ASN 35 -6.088 -3.988 -5.338
260 H ILE 36 H ILE 36 -9.552 -8.686 -6.005
261 HA ILE 36 HA ILE 36 -8.492 -9.311 -3.341
262 HB ILE 36 HB ILE 36 -8.529 -11.635 -4.083
263 HG12 ILE 36 1HG1 ILE 36 -9.595 -10.609 -6.757
264 HG13 ILE 36 2HG1 ILE 36 -7.978 -11.266 -6.494
265 HG21 ILE 36 1HG2 ILE 36 -10.527 -10.494 -3.103
266 HG22 ILE 36 2HG2 ILE 36 -11.141 -10.210 -4.746
267 HG23 ILE 36 3HG2 ILE 36 -10.939 -11.864 -4.135
268 HD11 ILE 36 3HD1 ILE 36 -9.353 -12.978 -7.467
269 HD12 ILE 36 1HD1 ILE 36 -8.995 -13.440 -5.790
270 HD13 ILE 36 2HD1 ILE 36 -10.597 -12.787 -6.224
271 H LEU 37 H LEU 37 -7.099 -8.435 -6.301
272 HA LEU 37 HA LEU 37 -4.371 -9.332 -5.542
273 HB2 LEU 37 1HB LEU 37 -5.241 -10.826 -7.274
274 HB3 LEU 37 2HB LEU 37 -5.851 -9.456 -8.202
275 HG LEU 37 HG LEU 37 -3.555 -8.694 -8.640
276 HD11 LEU 37 1HD1 LEU 37 -2.746 -11.307 -7.280
277 HD12 LEU 37 2HD1 LEU 37 -2.369 -9.666 -6.705
278 HD13 LEU 37 3HD1 LEU 37 -1.659 -10.253 -8.214
279 HD21 LEU 37 3HD2 LEU 37 -4.102 -11.594 -9.401
280 HD22 LEU 37 1HD2 LEU 37 -2.995 -10.485 -10.240
281 HD23 LEU 37 2HD2 LEU 37 -4.734 -10.154 -10.232
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 22.357 10.697 -13.014
2 H2 GLY 1 2H GLY 1 23.303 9.358 -13.001
3 H3 GLY 1 3H GLY 1 22.111 9.526 -11.890
4 HA2 GLY 1 1HA GLY 1 20.421 9.412 -13.607
5 HA3 GLY 1 2HA GLY 1 21.718 9.210 -14.800
6 H SER 2 H SER 2 19.560 7.369 -14.327
7 HA SER 2 HA SER 2 19.007 5.228 -13.830
8 HB2 SER 2 1HB SER 2 21.932 4.660 -14.394
9 HB3 SER 2 2HB SER 2 20.605 3.485 -14.414
10 HG SER 2 HG SER 2 21.108 4.293 -16.515
11 H SER 3 H SER 3 19.319 6.716 -11.577
12 HA SER 3 HA SER 3 20.304 4.841 -9.487
13 HB2 SER 3 1HB SER 3 21.414 6.801 -8.379
14 HB3 SER 3 2HB SER 3 22.153 6.298 -9.901
15 HG SER 3 HG SER 3 20.483 8.561 -9.437
16 H GLY 4 H GLY 4 19.504 5.251 -7.353
17 HA2 GLY 4 1HA GLY 4 17.961 5.888 -5.746
18 HA3 GLY 4 2HA GLY 4 17.482 7.233 -6.773
19 H SER 5 H SER 5 15.307 6.969 -6.304
20 HA SER 5 HA SER 5 13.183 6.219 -6.396
21 HB2 SER 5 1HB SER 5 14.079 4.994 -9.018
22 HB3 SER 5 2HB SER 5 12.406 5.327 -8.531
23 HG SER 5 HG SER 5 13.299 7.014 -9.821
24 H SER 6 H SER 6 14.728 4.585 -4.739
25 HA SER 6 HA SER 6 13.084 2.116 -4.722
26 HB2 SER 6 1HB SER 6 15.028 0.722 -4.214
27 HB3 SER 6 2HB SER 6 15.167 1.470 -5.813
28 HG SER 6 HG SER 6 17.127 1.608 -4.622
29 H GLY 7 H GLY 7 13.012 1.026 -2.656
30 HA2 GLY 7 1HA GLY 7 14.108 1.813 -0.218
31 HA3 GLY 7 2HA GLY 7 12.682 2.830 -0.430
32 H HIS 8 H HIS 8 12.368 1.484 1.681
33 HA HIS 8 HA HIS 8 11.263 -1.203 1.273
34 HB2 HIS 8 1HB HIS 8 11.451 0.488 3.789
35 HB3 HIS 8 2HB HIS 8 11.067 -1.232 3.714
36 HD1 HIS 8 1HD HIS 8 13.959 0.881 4.377
37 HD2 HIS 8 2HD HIS 8 13.209 -2.714 2.318
38 HE1 HIS 8 1HE HIS 8 16.210 -0.292 4.146
39 H LEU 9 H LEU 9 9.951 1.784 0.870
40 HA LEU 9 HA LEU 9 7.227 1.251 1.860
41 HB2 LEU 9 1HB LEU 9 8.469 3.513 0.257
42 HB3 LEU 9 2HB LEU 9 6.746 3.414 0.588
43 HG LEU 9 HG LEU 9 8.854 3.526 2.779
44 HD11 LEU 9 1HD1 LEU 9 8.870 5.588 1.428
45 HD12 LEU 9 2HD1 LEU 9 8.186 5.883 3.035
46 HD13 LEU 9 3HD1 LEU 9 7.111 5.742 1.625
47 HD21 LEU 9 3HD2 LEU 9 6.701 2.564 3.526
48 HD22 LEU 9 1HD2 LEU 9 5.823 3.935 2.821
49 HD23 LEU 9 2HD2 LEU 9 6.918 4.179 4.200
50 H TYR 10 H TYR 10 5.505 0.682 0.713
51 HA TYR 10 HA TYR 10 5.687 0.267 -2.239
52 HB2 TYR 10 1HB TYR 10 4.456 -1.558 -0.142
53 HB3 TYR 10 2HB TYR 10 4.081 -1.645 -1.853
54 HD1 TYR 10 1HD TYR 10 6.960 -1.893 0.545
55 HD2 TYR 10 2HD TYR 10 5.385 -2.925 -3.335
56 HE1 TYR 10 1HE TYR 10 8.827 -3.512 0.219
57 HE2 TYR 10 2HE TYR 10 7.247 -4.548 -3.655
58 HH TYR 10 HH TYR 10 9.777 -5.068 -1.173
59 H TYR 11 H TYR 11 4.100 1.227 -3.338
60 HA TYR 11 HA TYR 11 2.034 2.760 -1.899
61 HB2 TYR 11 1HB TYR 11 2.959 2.745 -4.786
62 HB3 TYR 11 2HB TYR 11 1.592 3.679 -4.206
63 HD1 TYR 11 1HD TYR 11 5.299 3.295 -3.922
64 HD2 TYR 11 2HD TYR 11 1.855 5.727 -2.990
65 HE1 TYR 11 1HE TYR 11 6.799 5.147 -3.217
66 HE2 TYR 11 2HE TYR 11 3.364 7.592 -2.308
67 HH TYR 11 HH TYR 11 6.937 7.294 -2.426
68 H CYS 12 H CYS 12 -0.136 2.600 -2.218
69 HA CYS 12 HA CYS 12 -1.367 0.095 -2.525
70 HB2 CYS 12 1HB CYS 12 -2.231 1.988 -1.264
71 HB3 CYS 12 2HB CYS 12 -2.431 2.930 -2.752
72 H SER 13 H SER 13 -2.543 -0.875 -4.090
73 HA SER 13 HA SER 13 -1.858 -0.405 -6.881
74 HB2 SER 13 1HB SER 13 -3.881 -2.309 -5.638
75 HB3 SER 13 2HB SER 13 -3.293 -2.349 -7.312
76 HG SER 13 HG SER 13 -2.154 -3.828 -5.994
77 H GLN 14 H GLN 14 -4.328 0.868 -4.843
78 HA GLN 14 HA GLN 14 -6.029 1.613 -7.202
79 HB2 GLN 14 1HB GLN 14 -6.938 0.486 -4.532
80 HB3 GLN 14 2HB GLN 14 -8.008 1.134 -5.779
81 HG2 GLN 14 1HG GLN 14 -7.109 -0.593 -7.381
82 HG3 GLN 14 2HG GLN 14 -6.186 -1.300 -6.051
83 HE21 GLN 14 1HE2 GLN 14 -9.551 -0.563 -7.107
84 HE22 GLN 14 2HE2 GLN 14 -10.248 -1.897 -6.202
85 H CYS 15 H CYS 15 -4.395 2.902 -4.476
86 HA CYS 15 HA CYS 15 -5.540 5.516 -5.119
87 HB2 CYS 15 1HB CYS 15 -6.243 6.146 -2.959
88 HB3 CYS 15 2HB CYS 15 -7.011 4.607 -3.305
89 H HIS 16 H HIS 16 -4.403 6.991 -3.068
90 HA HIS 16 HA HIS 16 -1.589 7.033 -3.961
91 HB2 HIS 16 1HB HIS 16 -1.566 9.303 -3.158
92 HB3 HIS 16 2HB HIS 16 -2.976 9.049 -4.172
93 HD1 HIS 16 1HD HIS 16 -2.077 9.514 -0.440
94 HD2 HIS 16 2HD HIS 16 -5.365 9.483 -3.068
95 HE1 HIS 16 1HE HIS 16 -4.078 10.345 0.909
96 H TYR 17 H TYR 17 -3.084 5.537 -1.387
97 HA TYR 17 HA TYR 17 -1.429 6.241 0.837
98 HB2 TYR 17 1HB TYR 17 -3.571 5.088 1.039
99 HB3 TYR 17 2HB TYR 17 -2.939 3.700 0.167
100 HD1 TYR 17 1HD TYR 17 -2.514 5.689 3.317
101 HD2 TYR 17 2HD TYR 17 -1.869 1.923 1.309
102 HE1 TYR 17 1HE TYR 17 -1.801 4.659 5.469
103 HE2 TYR 17 2HE TYR 17 -1.176 0.893 3.471
104 HH TYR 17 HH TYR 17 -1.089 2.755 6.529
105 H SER 18 H SER 18 0.265 5.032 1.863
106 HA SER 18 HA SER 18 1.758 3.031 0.324
107 HB2 SER 18 1HB SER 18 2.643 5.245 -0.440
108 HB3 SER 18 2HB SER 18 3.116 5.600 1.230
109 HG SER 18 HG SER 18 4.778 4.661 -0.154
110 H SER 19 H SER 19 3.014 1.697 1.594
111 HA SER 19 HA SER 19 3.374 2.273 4.472
112 HB2 SER 19 1HB SER 19 1.143 1.135 4.213
113 HB3 SER 19 2HB SER 19 1.999 -0.290 3.591
114 HG SER 19 HG SER 19 1.557 -0.247 5.927
115 H ILE 20 H ILE 20 4.822 0.750 5.542
116 HA ILE 20 HA ILE 20 7.083 -0.063 3.870
117 HB ILE 20 HB ILE 20 6.492 -0.441 6.824
118 HG12 ILE 20 1HG1 ILE 20 6.915 1.921 6.104
119 HG13 ILE 20 2HG1 ILE 20 8.055 1.292 7.275
120 HG21 ILE 20 1HG2 ILE 20 8.992 -1.187 5.253
121 HG22 ILE 20 2HG2 ILE 20 8.933 -1.035 7.024
122 HG23 ILE 20 3HG2 ILE 20 7.951 -2.256 6.217
123 HD11 ILE 20 3HD1 ILE 20 9.107 2.689 5.494
124 HD12 ILE 20 1HD1 ILE 20 9.796 1.064 5.600
125 HD13 ILE 20 2HD1 ILE 20 8.663 1.465 4.292
126 H THR 21 H THR 21 7.457 -1.948 3.033
127 HA THR 21 HA THR 21 7.117 -3.850 2.016
128 HB THR 21 HB THR 21 8.025 -4.856 3.915
129 HG1 THR 21 1HG THR 21 7.351 -6.871 3.410
130 HG21 THR 21 3HG2 THR 21 5.192 -5.239 4.955
131 HG22 THR 21 1HG2 THR 21 6.538 -4.402 5.763
132 HG23 THR 21 2HG2 THR 21 6.610 -6.147 5.526
133 H LYS 22 H LYS 22 5.921 -4.846 0.653
134 HA LYS 22 HA LYS 22 3.164 -4.394 0.215
135 HB2 LYS 22 1HB LYS 22 3.329 -6.288 -1.372
136 HB3 LYS 22 2HB LYS 22 4.583 -5.073 -1.565
137 HG2 LYS 22 1HG LYS 22 6.192 -6.547 -0.336
138 HG3 LYS 22 2HG LYS 22 4.933 -7.791 -0.220
139 HD2 LYS 22 1HD LYS 22 4.801 -7.911 -2.675
140 HD3 LYS 22 2HD LYS 22 6.001 -6.629 -2.839
141 HE2 LYS 22 1HE LYS 22 6.486 -9.355 -1.550
142 HE3 LYS 22 2HE LYS 22 6.915 -8.916 -3.204
143 HZ1 LYS 22 3HZ LYS 22 8.838 -8.663 -1.817
144 HZ2 LYS 22 1HZ LYS 22 8.062 -7.712 -0.747
145 HZ3 LYS 22 2HZ LYS 22 8.376 -7.157 -2.252
146 H ASN 23 H ASN 23 4.704 -6.793 2.279
147 HA ASN 23 HA ASN 23 2.466 -8.559 2.596
148 HB2 ASN 23 1HB ASN 23 4.825 -9.101 3.157
149 HB3 ASN 23 2HB ASN 23 4.791 -7.928 4.474
150 HD21 ASN 23 2HD2 ASN 23 4.159 -8.720 6.494
151 HD22 ASN 23 1HD2 ASN 23 3.342 -10.258 6.706
152 H CYS 24 H CYS 24 3.249 -5.472 4.182
153 HA CYS 24 HA CYS 24 0.954 -5.735 6.059
154 HB2 CYS 24 1HB CYS 24 3.130 -3.640 5.708
155 HB3 CYS 24 2HB CYS 24 1.800 -3.500 6.861
156 HG CYS 24 HG CYS 24 4.059 -5.919 6.617
157 H LEU 25 H LEU 25 1.919 -3.853 3.165
158 HA LEU 25 HA LEU 25 -0.243 -2.124 2.980
159 HB2 LEU 25 1HB LEU 25 1.807 -2.049 1.586
160 HB3 LEU 25 2HB LEU 25 1.309 -3.550 0.802
161 HG LEU 25 HG LEU 25 -0.709 -2.378 -0.132
162 HD11 LEU 25 1HD1 LEU 25 -0.683 0.095 -0.185
163 HD12 LEU 25 2HD1 LEU 25 0.688 0.112 0.946
164 HD13 LEU 25 3HD1 LEU 25 -0.901 -0.511 1.460
165 HD21 LEU 25 3HD2 LEU 25 1.955 -1.151 -0.849
166 HD22 LEU 25 1HD2 LEU 25 0.503 -1.247 -1.870
167 HD23 LEU 25 2HD2 LEU 25 1.359 -2.725 -1.418
168 H LYS 26 H LYS 26 -0.075 -5.535 1.901
169 HA LYS 26 HA LYS 26 -2.330 -5.738 0.303
170 HB2 LYS 26 1HB LYS 26 -0.614 -7.499 0.811
171 HB3 LYS 26 2HB LYS 26 -1.410 -7.795 2.363
172 HG2 LYS 26 1HG LYS 26 -3.487 -8.443 1.148
173 HG3 LYS 26 2HG LYS 26 -2.682 -8.116 -0.397
174 HD2 LYS 26 1HD LYS 26 -1.001 -9.875 0.114
175 HD3 LYS 26 2HD LYS 26 -1.810 -10.195 1.664
176 HE2 LYS 26 1HE LYS 26 -3.894 -10.795 0.447
177 HE3 LYS 26 2HE LYS 26 -3.088 -10.478 -1.095
178 HZ1 LYS 26 3HZ LYS 26 -1.527 -12.279 -0.571
179 HZ2 LYS 26 1HZ LYS 26 -3.057 -12.844 -0.547
180 HZ3 LYS 26 2HZ LYS 26 -2.271 -12.571 0.855
181 H ARG 27 H ARG 27 -2.335 -5.630 3.829
182 HA ARG 27 HA ARG 27 -5.085 -6.296 4.325
183 HB2 ARG 27 1HB ARG 27 -3.297 -4.394 5.900
184 HB3 ARG 27 2HB ARG 27 -4.705 -5.253 6.517
185 HG2 ARG 27 1HG ARG 27 -3.557 -7.410 6.311
186 HG3 ARG 27 2HG ARG 27 -2.143 -6.642 5.576
187 HD2 ARG 27 1HD ARG 27 -3.166 -6.135 8.390
188 HD3 ARG 27 2HD ARG 27 -1.754 -7.114 7.945
189 HE ARG 27 HE ARG 27 -1.354 -4.574 6.789
190 HH11 ARG 27 2HH1 ARG 27 -1.466 -5.879 10.040
191 HH12 ARG 27 1HH1 ARG 27 -0.592 -4.529 10.710
192 HH21 ARG 27 2HH2 ARG 27 -0.378 -2.826 7.726
193 HH22 ARG 27 1HH2 ARG 27 0.045 -2.862 9.414
194 H HIS 28 H HIS 28 -3.548 -3.151 3.597
195 HA HIS 28 HA HIS 28 -5.924 -1.534 3.954
196 HB2 HIS 28 1HB HIS 28 -3.821 -0.420 3.987
197 HB3 HIS 28 2HB HIS 28 -3.295 -1.150 2.481
198 HD1 HIS 28 1HD HIS 28 -5.253 1.843 3.703
199 HD2 HIS 28 2HD HIS 28 -4.278 -0.196 0.165
200 HE1 HIS 28 1HE HIS 28 -5.941 3.383 1.809
201 H VAL 29 H VAL 29 -4.498 -3.209 1.107
202 HA VAL 29 HA VAL 29 -6.528 -2.278 -0.710
203 HB VAL 29 HB VAL 29 -4.776 -4.738 -1.040
204 HG11 VAL 29 1HG1 VAL 29 -6.592 -4.590 -2.704
205 HG12 VAL 29 2HG1 VAL 29 -6.167 -2.907 -3.060
206 HG13 VAL 29 3HG1 VAL 29 -5.048 -4.227 -3.467
207 HG21 VAL 29 3HG2 VAL 29 -3.253 -3.217 -2.300
208 HG22 VAL 29 1HG2 VAL 29 -4.241 -1.827 -1.801
209 HG23 VAL 29 2HG2 VAL 29 -3.339 -2.775 -0.597
210 H ILE 30 H ILE 30 -6.317 -5.217 1.291
211 HA ILE 30 HA ILE 30 -8.770 -6.429 0.412
212 HB ILE 30 HB ILE 30 -7.197 -6.594 3.008
213 HG12 ILE 30 1HG1 ILE 30 -7.562 -8.681 0.825
214 HG13 ILE 30 2HG1 ILE 30 -6.246 -7.527 0.790
215 HG21 ILE 30 1HG2 ILE 30 -8.560 -8.618 3.565
216 HG22 ILE 30 2HG2 ILE 30 -9.522 -7.160 3.580
217 HG23 ILE 30 3HG2 ILE 30 -9.620 -8.261 2.186
218 HD11 ILE 30 3HD1 ILE 30 -5.457 -9.619 1.710
219 HD12 ILE 30 1HD1 ILE 30 -5.427 -8.383 2.985
220 HD13 ILE 30 2HD1 ILE 30 -6.704 -9.623 2.955
221 H GLN 31 H GLN 31 -8.142 -4.122 3.116
222 HA GLN 31 HA GLN 31 -10.925 -4.239 3.933
223 HB2 GLN 31 1HB GLN 31 -8.932 -4.110 5.460
224 HB3 GLN 31 2HB GLN 31 -8.716 -2.425 4.962
225 HG2 GLN 31 1HG GLN 31 -11.086 -1.971 5.775
226 HG3 GLN 31 2HG GLN 31 -11.150 -3.636 6.361
227 HE21 GLN 31 1HE2 GLN 31 -9.438 -4.232 8.074
228 HE22 GLN 31 2HE2 GLN 31 -8.929 -2.931 9.142
229 H LYS 32 H LYS 32 -8.914 -1.646 2.443
230 HA LYS 32 HA LYS 32 -11.139 0.281 2.652
231 HB2 LYS 32 1HB LYS 32 -8.391 0.676 1.417
232 HB3 LYS 32 2HB LYS 32 -9.541 1.920 1.882
233 HG2 LYS 32 1HG LYS 32 -7.917 0.130 3.724
234 HG3 LYS 32 2HG LYS 32 -7.797 1.874 3.494
235 HD2 LYS 32 1HD LYS 32 -10.122 2.103 4.461
236 HD3 LYS 32 2HD LYS 32 -10.059 0.368 4.855
237 HE2 LYS 32 1HE LYS 32 -7.877 0.838 6.094
238 HE3 LYS 32 2HE LYS 32 -8.176 2.561 5.832
239 HZ1 LYS 32 3HZ LYS 32 -10.328 2.213 7.052
240 HZ2 LYS 32 1HZ LYS 32 -9.010 1.947 7.980
241 HZ3 LYS 32 2HZ LYS 32 -9.844 0.676 7.401
242 H HIS 33 H HIS 33 -9.909 -1.806 0.178
243 HA HIS 33 HA HIS 33 -11.641 -0.456 -1.858
244 HB2 HIS 33 1HB HIS 33 -9.023 -1.900 -2.372
245 HB3 HIS 33 2HB HIS 33 -10.016 -1.029 -3.542
246 HD1 HIS 33 1HD HIS 33 -10.399 1.765 -2.417
247 HD2 HIS 33 2HD HIS 33 -6.920 -0.513 -1.824
248 HE1 HIS 33 1HE HIS 33 -8.574 3.430 -1.841
249 H SER 34 H SER 34 -12.099 -1.993 -3.747
250 HA SER 34 HA SER 34 -13.786 -4.023 -2.690
251 HB2 SER 34 1HB SER 34 -13.139 -3.468 -5.601
252 HB3 SER 34 2HB SER 34 -14.595 -4.250 -4.963
253 HG SER 34 HG SER 34 -15.181 -2.295 -3.984
254 H ASN 35 H ASN 35 -10.672 -4.605 -2.768
255 HA ASN 35 HA ASN 35 -10.509 -7.008 -4.415
256 HB2 ASN 35 1HB ASN 35 -8.703 -5.213 -4.033
257 HB3 ASN 35 2HB ASN 35 -8.427 -5.984 -2.470
258 HD21 ASN 35 1HD2 ASN 35 -8.015 -8.450 -2.638
259 HD22 ASN 35 2HD2 ASN 35 -6.997 -8.953 -3.992
260 H ILE 36 H ILE 36 -12.541 -7.549 -2.851
261 HA ILE 36 HA ILE 36 -11.712 -9.159 -0.520
262 HB ILE 36 HB ILE 36 -13.639 -7.590 -0.468
263 HG12 ILE 36 1HG1 ILE 36 -14.459 -10.464 0.077
264 HG13 ILE 36 2HG1 ILE 36 -13.354 -9.531 1.092
265 HG21 ILE 36 1HG2 ILE 36 -15.096 -9.624 -2.219
266 HG22 ILE 36 2HG2 ILE 36 -15.757 -8.128 -1.537
267 HG23 ILE 36 3HG2 ILE 36 -14.520 -8.041 -2.782
268 HD11 ILE 36 3HD1 ILE 36 -15.560 -9.469 2.069
269 HD12 ILE 36 1HD1 ILE 36 -15.164 -7.845 1.473
270 HD13 ILE 36 2HD1 ILE 36 -16.285 -8.889 0.563
271 H LEU 37 H LEU 37 -12.288 -9.646 -3.831
272 HA LEU 37 HA LEU 37 -13.124 -12.455 -3.711
273 HB2 LEU 37 1HB LEU 37 -12.345 -10.702 -6.076
274 HB3 LEU 37 2HB LEU 37 -13.080 -12.295 -6.173
275 HG LEU 37 HG LEU 37 -14.407 -9.794 -5.033
276 HD11 LEU 37 1HD1 LEU 37 -14.906 -11.365 -7.595
277 HD12 LEU 37 2HD1 LEU 37 -14.123 -9.772 -7.482
278 HD13 LEU 37 3HD1 LEU 37 -15.826 -9.953 -7.030
279 HD21 LEU 37 3HD2 LEU 37 -15.273 -11.793 -3.895
280 HD22 LEU 37 1HD2 LEU 37 -15.514 -12.607 -5.460
281 HD23 LEU 37 2HD2 LEU 37 -16.475 -11.173 -5.031
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 16.519 -3.742 13.178
2 H2 GLY 1 2H GLY 1 17.963 -4.016 13.896
3 H3 GLY 1 3H GLY 1 17.411 -5.048 12.750
4 HA2 GLY 1 1HA GLY 1 19.137 -3.666 11.820
5 HA3 GLY 1 2HA GLY 1 17.570 -3.351 11.053
6 H SER 2 H SER 2 18.411 -1.261 10.439
7 HA SER 2 HA SER 2 19.314 0.719 12.279
8 HB2 SER 2 1HB SER 2 18.020 1.075 9.550
9 HB3 SER 2 2HB SER 2 18.968 2.292 10.427
10 HG SER 2 HG SER 2 20.235 1.150 8.881
11 H SER 3 H SER 3 18.335 2.569 13.145
12 HA SER 3 HA SER 3 15.533 2.363 13.909
13 HB2 SER 3 1HB SER 3 16.012 4.523 15.069
14 HB3 SER 3 2HB SER 3 17.107 3.200 15.505
15 HG SER 3 HG SER 3 18.235 5.166 15.094
16 H GLY 4 H GLY 4 17.378 4.415 11.661
17 HA2 GLY 4 1HA GLY 4 14.998 5.832 10.652
18 HA3 GLY 4 2HA GLY 4 16.646 5.967 10.049
19 H SER 5 H SER 5 14.246 5.682 8.471
20 HA SER 5 HA SER 5 14.155 2.986 7.358
21 HB2 SER 5 1HB SER 5 12.631 4.031 5.690
22 HB3 SER 5 2HB SER 5 12.132 4.257 7.374
23 HG SER 5 HG SER 5 11.970 6.201 6.154
24 H SER 6 H SER 6 14.691 2.392 5.233
25 HA SER 6 HA SER 6 16.834 3.996 3.878
26 HB2 SER 6 1HB SER 6 18.055 1.908 3.511
27 HB3 SER 6 2HB SER 6 17.815 2.225 5.236
28 HG SER 6 HG SER 6 17.352 0.041 4.677
29 H GLY 7 H GLY 7 13.799 2.907 3.376
30 HA2 GLY 7 1HA GLY 7 13.263 3.213 0.762
31 HA3 GLY 7 2HA GLY 7 14.119 1.662 0.720
32 H HIS 8 H HIS 8 12.778 0.002 0.761
33 HA HIS 8 HA HIS 8 11.074 -1.404 1.134
34 HB2 HIS 8 1HB HIS 8 10.854 -1.997 3.511
35 HB3 HIS 8 2HB HIS 8 12.501 -1.802 2.938
36 HD1 HIS 8 1HD HIS 8 9.959 0.152 5.117
37 HD2 HIS 8 2HD HIS 8 14.051 -0.091 4.189
38 HE1 HIS 8 1HE HIS 8 11.148 1.734 6.726
39 H LEU 9 H LEU 9 9.983 1.476 0.885
40 HA LEU 9 HA LEU 9 7.250 1.076 1.939
41 HB2 LEU 9 1HB LEU 9 8.594 3.301 0.371
42 HB3 LEU 9 2HB LEU 9 6.860 3.276 0.663
43 HG LEU 9 HG LEU 9 8.912 3.242 2.917
44 HD11 LEU 9 1HD1 LEU 9 9.100 5.320 1.604
45 HD12 LEU 9 2HD1 LEU 9 8.374 5.632 3.187
46 HD13 LEU 9 3HD1 LEU 9 7.347 5.576 1.736
47 HD21 LEU 9 3HD2 LEU 9 5.913 3.831 2.871
48 HD22 LEU 9 1HD2 LEU 9 6.980 3.986 4.284
49 HD23 LEU 9 2HD2 LEU 9 6.689 2.398 3.577
50 H TYR 10 H TYR 10 5.515 0.533 0.821
51 HA TYR 10 HA TYR 10 5.695 -0.008 -2.114
52 HB2 TYR 10 1HB TYR 10 4.400 -1.679 0.069
53 HB3 TYR 10 2HB TYR 10 4.072 -1.878 -1.645
54 HD1 TYR 10 1HD TYR 10 6.886 -1.951 0.843
55 HD2 TYR 10 2HD TYR 10 5.436 -3.241 -3.008
56 HE1 TYR 10 1HE TYR 10 8.850 -3.468 0.614
57 HE2 TYR 10 2HE TYR 10 7.389 -4.769 -3.227
58 HH TYR 10 HH TYR 10 9.904 -5.036 -0.689
59 H TYR 11 H TYR 11 3.934 0.578 -3.325
60 HA TYR 11 HA TYR 11 2.087 2.529 -2.020
61 HB2 TYR 11 1HB TYR 11 3.352 2.505 -4.778
62 HB3 TYR 11 2HB TYR 11 2.131 3.646 -4.250
63 HD1 TYR 11 1HD TYR 11 5.624 2.462 -3.513
64 HD2 TYR 11 2HD TYR 11 2.712 5.619 -3.068
65 HE1 TYR 11 1HE TYR 11 7.370 3.930 -2.535
66 HE2 TYR 11 2HE TYR 11 4.474 7.098 -2.109
67 HH TYR 11 HH TYR 11 7.858 5.998 -1.672
68 H CYS 12 H CYS 12 -0.037 2.576 -2.479
69 HA CYS 12 HA CYS 12 -1.337 0.164 -3.129
70 HB2 CYS 12 1HB CYS 12 -2.098 1.909 -1.576
71 HB3 CYS 12 2HB CYS 12 -2.390 3.003 -2.934
72 H SER 13 H SER 13 -2.708 -0.440 -4.729
73 HA SER 13 HA SER 13 -2.061 0.430 -7.475
74 HB2 SER 13 1HB SER 13 -3.850 -1.816 -6.473
75 HB3 SER 13 2HB SER 13 -3.373 -1.530 -8.157
76 HG SER 13 HG SER 13 -2.044 -3.105 -7.147
77 H GLN 14 H GLN 14 -4.492 1.186 -5.162
78 HA GLN 14 HA GLN 14 -6.352 2.156 -7.316
79 HB2 GLN 14 1HB GLN 14 -7.077 0.766 -4.714
80 HB3 GLN 14 2HB GLN 14 -8.224 1.542 -5.811
81 HG2 GLN 14 1HG GLN 14 -7.447 -0.010 -7.647
82 HG3 GLN 14 2HG GLN 14 -6.448 -0.846 -6.458
83 HE21 GLN 14 1HE2 GLN 14 -7.453 -2.824 -6.083
84 HE22 GLN 14 2HE2 GLN 14 -9.171 -3.001 -5.756
85 H CYS 15 H CYS 15 -4.524 3.189 -4.619
86 HA CYS 15 HA CYS 15 -5.687 5.848 -4.911
87 HB2 CYS 15 1HB CYS 15 -6.204 6.248 -2.618
88 HB3 CYS 15 2HB CYS 15 -7.075 4.813 -3.127
89 H HIS 16 H HIS 16 -4.414 7.218 -2.964
90 HA HIS 16 HA HIS 16 -1.649 7.217 -3.953
91 HB2 HIS 16 1HB HIS 16 -3.191 9.228 -3.820
92 HB3 HIS 16 2HB HIS 16 -3.011 9.167 -2.067
93 HD1 HIS 16 1HD HIS 16 -0.816 9.692 -5.234
94 HD2 HIS 16 2HD HIS 16 -0.900 10.418 -1.089
95 HE1 HIS 16 1HE HIS 16 1.189 11.184 -4.732
96 H TYR 17 H TYR 17 -3.056 5.585 -1.411
97 HA TYR 17 HA TYR 17 -1.388 6.148 0.819
98 HB2 TYR 17 1HB TYR 17 -3.551 5.005 0.929
99 HB3 TYR 17 2HB TYR 17 -2.896 3.644 0.026
100 HD1 TYR 17 1HD TYR 17 -2.902 5.377 3.301
101 HD2 TYR 17 2HD TYR 17 -1.517 1.955 1.068
102 HE1 TYR 17 1HE TYR 17 -2.291 4.235 5.427
103 HE2 TYR 17 2HE TYR 17 -0.901 0.816 3.197
104 HH TYR 17 HH TYR 17 -1.447 2.344 6.397
105 H SER 18 H SER 18 0.342 5.054 1.764
106 HA SER 18 HA SER 18 1.592 2.801 0.413
107 HB2 SER 18 1HB SER 18 3.854 3.738 0.406
108 HB3 SER 18 2HB SER 18 2.761 4.659 -0.637
109 HG SER 18 HG SER 18 4.047 6.048 0.638
110 H SER 19 H SER 19 2.947 1.552 1.711
111 HA SER 19 HA SER 19 3.360 2.269 4.541
112 HB2 SER 19 1HB SER 19 2.357 0.181 5.372
113 HB3 SER 19 2HB SER 19 1.167 1.255 4.629
114 HG SER 19 HG SER 19 0.900 -0.907 3.961
115 H ILE 20 H ILE 20 4.684 0.616 5.705
116 HA ILE 20 HA ILE 20 6.911 -0.184 4.019
117 HB ILE 20 HB ILE 20 8.067 -0.866 5.963
118 HG12 ILE 20 1HG1 ILE 20 6.476 -1.887 7.418
119 HG13 ILE 20 2HG1 ILE 20 7.306 -0.594 8.248
120 HG21 ILE 20 1HG2 ILE 20 8.105 1.487 5.327
121 HG22 ILE 20 2HG2 ILE 20 6.732 1.833 6.389
122 HG23 ILE 20 3HG2 ILE 20 8.274 1.300 7.078
123 HD11 ILE 20 3HD1 ILE 20 5.271 0.868 7.952
124 HD12 ILE 20 1HD1 ILE 20 4.428 -0.545 7.257
125 HD13 ILE 20 2HD1 ILE 20 5.005 -0.587 8.925
126 H THR 21 H THR 21 7.409 -2.060 3.234
127 HA THR 21 HA THR 21 7.214 -4.102 2.364
128 HB THR 21 HB THR 21 6.732 -6.038 3.544
129 HG1 THR 21 1HG THR 21 5.311 -4.365 5.297
130 HG21 THR 21 3HG2 THR 21 7.998 -5.877 5.588
131 HG22 THR 21 1HG2 THR 21 7.773 -4.118 5.665
132 HG23 THR 21 2HG2 THR 21 8.752 -4.838 4.364
133 H LYS 22 H LYS 22 5.986 -5.322 0.987
134 HA LYS 22 HA LYS 22 3.338 -4.467 0.345
135 HB2 LYS 22 1HB LYS 22 3.283 -6.113 -1.311
136 HB3 LYS 22 2HB LYS 22 4.909 -5.474 -1.280
137 HG2 LYS 22 1HG LYS 22 4.036 -8.162 -0.128
138 HG3 LYS 22 2HG LYS 22 4.784 -7.885 -1.698
139 HD2 LYS 22 1HD LYS 22 6.831 -6.968 -0.506
140 HD3 LYS 22 2HD LYS 22 6.075 -7.453 1.021
141 HE2 LYS 22 1HE LYS 22 7.573 -9.190 0.470
142 HE3 LYS 22 2HE LYS 22 5.948 -9.813 0.177
143 HZ1 LYS 22 3HZ LYS 22 7.486 -10.359 -1.634
144 HZ2 LYS 22 1HZ LYS 22 7.796 -8.785 -1.921
145 HZ3 LYS 22 2HZ LYS 22 6.304 -9.396 -2.208
146 H ASN 23 H ASN 23 4.352 -6.743 2.746
147 HA ASN 23 HA ASN 23 1.894 -8.233 2.983
148 HB2 ASN 23 1HB ASN 23 4.054 -9.014 3.871
149 HB3 ASN 23 2HB ASN 23 4.126 -7.646 4.982
150 HD21 ASN 23 1HD2 ASN 23 3.190 -7.917 7.009
151 HD22 ASN 23 2HD2 ASN 23 2.143 -9.270 7.406
152 H CYS 24 H CYS 24 3.016 -5.150 4.462
153 HA CYS 24 HA CYS 24 0.600 -4.783 6.048
154 HB2 CYS 24 1HB CYS 24 2.859 -3.722 6.489
155 HB3 CYS 24 2HB CYS 24 2.590 -2.696 5.067
156 HG CYS 24 HG CYS 24 0.711 -3.018 7.798
157 H LEU 25 H LEU 25 1.706 -3.548 2.842
158 HA LEU 25 HA LEU 25 -0.544 -2.049 2.249
159 HB2 LEU 25 1HB LEU 25 1.636 -2.029 1.027
160 HB3 LEU 25 2HB LEU 25 1.216 -3.590 0.313
161 HG LEU 25 HG LEU 25 -0.791 -2.524 -0.766
162 HD11 LEU 25 1HD1 LEU 25 -1.146 -0.598 0.728
163 HD12 LEU 25 2HD1 LEU 25 -0.842 -0.041 -0.912
164 HD13 LEU 25 3HD1 LEU 25 0.454 0.055 0.299
165 HD21 LEU 25 3HD2 LEU 25 1.824 -1.147 -1.422
166 HD22 LEU 25 1HD2 LEU 25 0.440 -1.421 -2.503
167 HD23 LEU 25 2HD2 LEU 25 1.390 -2.796 -1.931
168 H LYS 26 H LYS 26 -0.064 -5.554 1.670
169 HA LYS 26 HA LYS 26 -2.424 -6.134 0.243
170 HB2 LYS 26 1HB LYS 26 -0.555 -7.703 0.695
171 HB3 LYS 26 2HB LYS 26 -1.051 -7.816 2.389
172 HG2 LYS 26 1HG LYS 26 -3.215 -8.792 1.701
173 HG3 LYS 26 2HG LYS 26 -2.766 -8.615 -0.007
174 HD2 LYS 26 1HD LYS 26 -0.856 -10.162 0.341
175 HD3 LYS 26 2HD LYS 26 -1.296 -10.324 2.056
176 HE2 LYS 26 1HE LYS 26 -3.514 -11.234 1.398
177 HE3 LYS 26 2HE LYS 26 -3.079 -11.071 -0.309
178 HZ1 LYS 26 3HZ LYS 26 -2.700 -13.334 0.488
179 HZ2 LYS 26 1HZ LYS 26 -1.674 -12.818 1.645
180 HZ3 LYS 26 2HZ LYS 26 -1.272 -12.666 0.068
181 H ARG 27 H ARG 27 -2.067 -5.762 3.791
182 HA ARG 27 HA ARG 27 -4.839 -6.362 4.353
183 HB2 ARG 27 1HB ARG 27 -2.998 -6.559 6.021
184 HB3 ARG 27 2HB ARG 27 -2.804 -4.807 6.015
185 HG2 ARG 27 1HG ARG 27 -4.052 -5.531 7.970
186 HG3 ARG 27 2HG ARG 27 -5.074 -4.523 6.945
187 HD2 ARG 27 1HD ARG 27 -6.207 -6.530 6.062
188 HD3 ARG 27 2HD ARG 27 -5.121 -7.572 7.008
189 HE ARG 27 HE ARG 27 -6.346 -5.802 8.828
190 HH11 ARG 27 2HH1 ARG 27 -7.393 -8.430 6.759
191 HH12 ARG 27 1HH1 ARG 27 -8.774 -8.785 7.759
192 HH21 ARG 27 2HH2 ARG 27 -8.107 -6.340 10.080
193 HH22 ARG 27 1HH2 ARG 27 -9.144 -7.648 9.597
194 H HIS 28 H HIS 28 -3.163 -3.258 3.702
195 HA HIS 28 HA HIS 28 -5.456 -1.562 4.051
196 HB2 HIS 28 1HB HIS 28 -3.353 -0.498 3.817
197 HB3 HIS 28 2HB HIS 28 -2.967 -1.347 2.332
198 HD1 HIS 28 1HD HIS 28 -4.943 1.677 3.529
199 HD2 HIS 28 2HD HIS 28 -4.037 -0.451 0.024
200 HE1 HIS 28 1HE HIS 28 -5.723 3.143 1.614
201 H VAL 29 H VAL 29 -4.310 -3.326 1.109
202 HA VAL 29 HA VAL 29 -6.485 -2.468 -0.541
203 HB VAL 29 HB VAL 29 -4.736 -4.944 -0.772
204 HG11 VAL 29 1HG1 VAL 29 -5.393 -4.919 -3.173
205 HG12 VAL 29 2HG1 VAL 29 -6.771 -5.262 -2.127
206 HG13 VAL 29 3HG1 VAL 29 -6.576 -3.638 -2.828
207 HG21 VAL 29 3HG2 VAL 29 -4.606 -2.237 -2.196
208 HG22 VAL 29 1HG2 VAL 29 -3.500 -2.765 -0.918
209 HG23 VAL 29 2HG2 VAL 29 -3.522 -3.618 -2.459
210 H ILE 30 H ILE 30 -6.195 -5.410 1.499
211 HA ILE 30 HA ILE 30 -8.748 -6.516 0.881
212 HB ILE 30 HB ILE 30 -6.936 -6.703 3.306
213 HG12 ILE 30 1HG1 ILE 30 -7.669 -8.794 1.208
214 HG13 ILE 30 2HG1 ILE 30 -6.305 -7.712 1.017
215 HG21 ILE 30 1HG2 ILE 30 -8.305 -8.651 4.074
216 HG22 ILE 30 2HG2 ILE 30 -9.187 -7.142 4.178
217 HG23 ILE 30 3HG2 ILE 30 -9.516 -8.264 2.838
218 HD11 ILE 30 3HD1 ILE 30 -6.625 -9.808 3.199
219 HD12 ILE 30 1HD1 ILE 30 -5.485 -9.803 1.850
220 HD13 ILE 30 2HD1 ILE 30 -5.318 -8.602 3.147
221 H GLN 31 H GLN 31 -7.875 -4.118 3.421
222 HA GLN 31 HA GLN 31 -10.597 -4.099 4.461
223 HB2 GLN 31 1HB GLN 31 -8.112 -2.466 5.091
224 HB3 GLN 31 2HB GLN 31 -9.642 -2.271 5.942
225 HG2 GLN 31 1HG GLN 31 -8.084 -4.894 5.815
226 HG3 GLN 31 2HG GLN 31 -8.016 -3.739 7.140
227 HE21 GLN 31 1HE2 GLN 31 -10.122 -3.307 8.344
228 HE22 GLN 31 2HE2 GLN 31 -11.281 -4.626 8.405
229 H LYS 32 H LYS 32 -8.834 -1.954 2.248
230 HA LYS 32 HA LYS 32 -11.048 0.053 2.403
231 HB2 LYS 32 1HB LYS 32 -8.214 0.349 1.341
232 HB3 LYS 32 2HB LYS 32 -9.392 1.636 1.544
233 HG2 LYS 32 1HG LYS 32 -8.104 0.028 3.793
234 HG3 LYS 32 2HG LYS 32 -7.732 1.686 3.320
235 HD2 LYS 32 1HD LYS 32 -10.059 2.373 3.914
236 HD3 LYS 32 2HD LYS 32 -10.383 0.717 4.478
237 HE2 LYS 32 1HE LYS 32 -8.531 0.904 6.113
238 HE3 LYS 32 2HE LYS 32 -8.197 2.549 5.557
239 HZ1 LYS 32 3HZ LYS 32 -9.590 2.557 7.547
240 HZ2 LYS 32 1HZ LYS 32 -10.745 1.668 6.814
241 HZ3 LYS 32 2HZ LYS 32 -10.429 3.188 6.300
242 H HIS 33 H HIS 33 -9.910 -2.286 0.142
243 HA HIS 33 HA HIS 33 -11.374 -0.904 -2.070
244 HB2 HIS 33 1HB HIS 33 -8.653 -2.241 -2.273
245 HB3 HIS 33 2HB HIS 33 -9.559 -1.506 -3.586
246 HD1 HIS 33 1HD HIS 33 -10.261 1.320 -2.488
247 HD2 HIS 33 2HD HIS 33 -6.637 -0.697 -1.846
248 HE1 HIS 33 1HE HIS 33 -8.559 3.122 -1.950
249 H SER 34 H SER 34 -11.699 -2.302 -3.977
250 HA SER 34 HA SER 34 -12.816 -4.010 -4.941
251 HB2 SER 34 1HB SER 34 -10.736 -5.682 -3.511
252 HB3 SER 34 2HB SER 34 -11.642 -6.133 -4.966
253 HG SER 34 HG SER 34 -9.623 -5.323 -5.537
254 H ASN 35 H ASN 35 -13.908 -3.317 -2.275
255 HA ASN 35 HA ASN 35 -14.893 -5.837 -1.157
256 HB2 ASN 35 1HB ASN 35 -15.584 -4.437 0.723
257 HB3 ASN 35 2HB ASN 35 -13.910 -4.134 0.284
258 HD21 ASN 35 1HD2 ASN 35 -17.218 -2.814 0.036
259 HD22 ASN 35 2HD2 ASN 35 -16.685 -1.147 -0.188
260 H ILE 36 H ILE 36 -15.977 -4.870 -3.785
261 HA ILE 36 HA ILE 36 -18.776 -4.198 -3.302
262 HB ILE 36 HB ILE 36 -18.971 -4.515 -5.807
263 HG12 ILE 36 1HG1 ILE 36 -16.966 -4.349 -7.171
264 HG13 ILE 36 2HG1 ILE 36 -15.917 -4.538 -5.774
265 HG21 ILE 36 1HG2 ILE 36 -17.917 -2.345 -6.235
266 HG22 ILE 36 2HG2 ILE 36 -18.742 -2.347 -4.671
267 HG23 ILE 36 3HG2 ILE 36 -16.970 -2.481 -4.740
268 HD11 ILE 36 3HD1 ILE 36 -16.166 -6.581 -7.215
269 HD12 ILE 36 1HD1 ILE 36 -16.572 -6.859 -5.521
270 HD13 ILE 36 2HD1 ILE 36 -17.871 -6.675 -6.732
271 H LEU 37 H LEU 37 -20.544 -5.416 -4.302
272 HA LEU 37 HA LEU 37 -20.356 -8.372 -3.957
273 HB2 LEU 37 1HB LEU 37 -22.434 -6.494 -2.751
274 HB3 LEU 37 2HB LEU 37 -22.567 -8.244 -2.766
275 HG LEU 37 HG LEU 37 -20.373 -6.694 -1.317
276 HD11 LEU 37 1HD1 LEU 37 -22.870 -8.087 -0.264
277 HD12 LEU 37 2HD1 LEU 37 -22.605 -6.330 -0.342
278 HD13 LEU 37 3HD1 LEU 37 -21.597 -7.326 0.717
279 HD21 LEU 37 3HD2 LEU 37 -19.950 -8.864 -0.189
280 HD22 LEU 37 1HD2 LEU 37 -19.644 -8.973 -1.923
281 HD23 LEU 37 2HD2 LEU 37 -21.143 -9.649 -1.250
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 24.619 1.848 14.339
2 H2 GLY 1 2H GLY 1 23.348 0.944 14.844
3 H3 GLY 1 3H GLY 1 24.056 2.006 15.871
4 HA2 GLY 1 1HA GLY 1 23.354 3.876 14.523
5 HA3 GLY 1 2HA GLY 1 22.574 2.724 13.426
6 H SER 2 H SER 2 20.619 3.988 13.871
7 HA SER 2 HA SER 2 19.387 3.861 16.526
8 HB2 SER 2 1HB SER 2 17.573 5.105 15.491
9 HB3 SER 2 2HB SER 2 19.134 5.837 15.095
10 HG SER 2 HG SER 2 17.808 5.668 13.242
11 H SER 3 H SER 3 17.088 3.128 16.716
12 HA SER 3 HA SER 3 16.858 0.338 15.960
13 HB2 SER 3 1HB SER 3 14.902 2.096 17.477
14 HB3 SER 3 2HB SER 3 14.920 0.322 17.425
15 HG SER 3 HG SER 3 15.943 1.140 19.311
16 H GLY 4 H GLY 4 16.199 2.842 13.987
17 HA2 GLY 4 1HA GLY 4 13.497 2.452 13.118
18 HA3 GLY 4 2HA GLY 4 14.778 3.248 12.210
19 H SER 5 H SER 5 12.693 1.544 11.178
20 HA SER 5 HA SER 5 13.733 -1.090 10.570
21 HB2 SER 5 1HB SER 5 11.330 -0.625 10.702
22 HB3 SER 5 2HB SER 5 11.447 0.440 9.286
23 HG SER 5 HG SER 5 10.796 -1.811 8.881
24 H SER 6 H SER 6 14.580 -1.918 8.721
25 HA SER 6 HA SER 6 15.730 -0.096 6.683
26 HB2 SER 6 1HB SER 6 17.014 -2.095 6.003
27 HB3 SER 6 2HB SER 6 17.259 -1.662 7.702
28 HG SER 6 HG SER 6 16.906 -3.922 7.416
29 H GLY 7 H GLY 7 12.822 -1.698 7.048
30 HA2 GLY 7 1HA GLY 7 12.449 -3.045 4.565
31 HA3 GLY 7 2HA GLY 7 11.173 -2.436 5.613
32 H HIS 8 H HIS 8 11.389 -2.481 2.672
33 HA HIS 8 HA HIS 8 11.653 0.318 1.817
34 HB2 HIS 8 1HB HIS 8 10.844 -2.172 0.275
35 HB3 HIS 8 2HB HIS 8 11.182 -0.590 -0.420
36 HD1 HIS 8 1HD HIS 8 12.921 -3.751 0.150
37 HD2 HIS 8 2HD HIS 8 13.870 0.347 0.303
38 HE1 HIS 8 1HE HIS 8 15.459 -3.600 -0.019
39 H LEU 9 H LEU 9 10.010 1.538 0.790
40 HA LEU 9 HA LEU 9 7.269 1.115 1.781
41 HB2 LEU 9 1HB LEU 9 8.606 3.285 0.133
42 HB3 LEU 9 2HB LEU 9 6.866 3.242 0.379
43 HG LEU 9 HG LEU 9 8.851 3.349 2.687
44 HD11 LEU 9 1HD1 LEU 9 8.270 5.741 2.832
45 HD12 LEU 9 2HD1 LEU 9 7.286 5.601 1.356
46 HD13 LEU 9 3HD1 LEU 9 9.046 5.369 1.285
47 HD21 LEU 9 3HD2 LEU 9 5.847 3.900 2.528
48 HD22 LEU 9 1HD2 LEU 9 6.868 4.120 3.964
49 HD23 LEU 9 2HD2 LEU 9 6.608 2.501 3.314
50 H TYR 10 H TYR 10 5.570 0.482 0.683
51 HA TYR 10 HA TYR 10 5.722 -0.047 -2.254
52 HB2 TYR 10 1HB TYR 10 4.368 -1.711 -0.096
53 HB3 TYR 10 2HB TYR 10 4.113 -1.910 -1.824
54 HD1 TYR 10 1HD TYR 10 6.735 -2.115 0.834
55 HD2 TYR 10 2HD TYR 10 5.584 -3.185 -3.181
56 HE1 TYR 10 1HE TYR 10 8.681 -3.667 0.691
57 HE2 TYR 10 2HE TYR 10 7.511 -4.761 -3.312
58 HH TYR 10 HH TYR 10 9.796 -5.214 -0.588
59 H TYR 11 H TYR 11 3.886 0.517 -3.425
60 HA TYR 11 HA TYR 11 2.098 2.487 -2.061
61 HB2 TYR 11 1HB TYR 11 3.260 2.499 -4.863
62 HB3 TYR 11 2HB TYR 11 2.133 3.681 -4.222
63 HD1 TYR 11 1HD TYR 11 5.608 2.337 -3.882
64 HD2 TYR 11 2HD TYR 11 2.867 5.505 -2.843
65 HE1 TYR 11 1HE TYR 11 7.490 3.645 -2.927
66 HE2 TYR 11 2HE TYR 11 4.763 6.820 -1.894
67 HH TYR 11 HH TYR 11 8.132 5.597 -1.909
68 H CYS 12 H CYS 12 -0.045 2.585 -2.521
69 HA CYS 12 HA CYS 12 -1.377 0.189 -3.198
70 HB2 CYS 12 1HB CYS 12 -2.139 1.931 -1.634
71 HB3 CYS 12 2HB CYS 12 -2.424 3.031 -2.994
72 H SER 13 H SER 13 -2.812 -0.327 -4.824
73 HA SER 13 HA SER 13 -2.050 0.493 -7.554
74 HB2 SER 13 1HB SER 13 -3.480 -1.399 -8.225
75 HB3 SER 13 2HB SER 13 -2.244 -1.874 -7.051
76 HG SER 13 HG SER 13 -4.197 -2.773 -6.451
77 H GLN 14 H GLN 14 -4.492 1.294 -5.266
78 HA GLN 14 HA GLN 14 -6.336 2.345 -7.398
79 HB2 GLN 14 1HB GLN 14 -6.866 0.743 -4.884
80 HB3 GLN 14 2HB GLN 14 -8.146 1.648 -5.694
81 HG2 GLN 14 1HG GLN 14 -8.059 0.336 -7.651
82 HG3 GLN 14 2HG GLN 14 -6.462 -0.307 -7.289
83 HE21 GLN 14 1HE2 GLN 14 -6.203 -1.914 -5.608
84 HE22 GLN 14 2HE2 GLN 14 -7.592 -2.913 -5.174
85 H CYS 15 H CYS 15 -4.515 3.327 -4.674
86 HA CYS 15 HA CYS 15 -5.700 5.982 -4.879
87 HB2 CYS 15 1HB CYS 15 -6.243 6.289 -2.571
88 HB3 CYS 15 2HB CYS 15 -7.108 4.879 -3.156
89 H HIS 16 H HIS 16 -4.464 7.281 -2.860
90 HA HIS 16 HA HIS 16 -1.694 7.345 -3.817
91 HB2 HIS 16 1HB HIS 16 -3.397 9.301 -3.483
92 HB3 HIS 16 2HB HIS 16 -2.908 9.235 -1.796
93 HD1 HIS 16 1HD HIS 16 0.204 9.043 -2.036
94 HD2 HIS 16 2HD HIS 16 -2.265 11.344 -4.543
95 HE1 HIS 16 1HE HIS 16 1.694 10.889 -3.012
96 H TYR 17 H TYR 17 -3.099 5.563 -1.381
97 HA TYR 17 HA TYR 17 -1.439 6.039 0.882
98 HB2 TYR 17 1HB TYR 17 -3.595 4.889 0.955
99 HB3 TYR 17 2HB TYR 17 -2.945 3.569 -0.012
100 HD1 TYR 17 1HD TYR 17 -2.745 5.245 3.319
101 HD2 TYR 17 2HD TYR 17 -1.731 1.769 0.974
102 HE1 TYR 17 1HE TYR 17 -2.099 4.023 5.397
103 HE2 TYR 17 2HE TYR 17 -1.113 0.545 3.045
104 HH TYR 17 HH TYR 17 -0.956 0.628 5.342
105 H SER 18 H SER 18 0.248 4.841 1.804
106 HA SER 18 HA SER 18 1.592 2.755 0.278
107 HB2 SER 18 1HB SER 18 3.827 3.724 0.424
108 HB3 SER 18 2HB SER 18 2.753 4.740 -0.546
109 HG SER 18 HG SER 18 2.539 6.149 1.204
110 H SER 19 H SER 19 3.052 1.485 1.514
111 HA SER 19 HA SER 19 3.091 1.878 4.455
112 HB2 SER 19 1HB SER 19 1.041 0.493 3.765
113 HB3 SER 19 2HB SER 19 2.186 -0.765 3.269
114 HG SER 19 HG SER 19 1.739 0.353 5.854
115 H ILE 20 H ILE 20 4.668 0.573 5.550
116 HA ILE 20 HA ILE 20 7.029 -0.078 3.905
117 HB ILE 20 HB ILE 20 6.633 -0.201 6.915
118 HG12 ILE 20 1HG1 ILE 20 8.138 1.810 5.169
119 HG13 ILE 20 2HG1 ILE 20 6.579 2.107 5.941
120 HG21 ILE 20 1HG2 ILE 20 9.104 -0.497 6.999
121 HG22 ILE 20 2HG2 ILE 20 8.354 -1.825 6.136
122 HG23 ILE 20 3HG2 ILE 20 9.157 -0.529 5.223
123 HD11 ILE 20 3HD1 ILE 20 8.242 3.172 7.268
124 HD12 ILE 20 1HD1 ILE 20 7.656 1.768 8.183
125 HD13 ILE 20 2HD1 ILE 20 9.235 1.713 7.357
126 H THR 21 H THR 21 7.472 -1.995 3.174
127 HA THR 21 HA THR 21 7.355 -4.131 2.548
128 HB THR 21 HB THR 21 6.418 -4.806 5.341
129 HG1 THR 21 1HG THR 21 8.618 -5.120 5.674
130 HG21 THR 21 3HG2 THR 21 7.539 -6.983 4.868
131 HG22 THR 21 1HG2 THR 21 7.753 -6.495 3.173
132 HG23 THR 21 2HG2 THR 21 6.123 -6.731 3.851
133 H LYS 22 H LYS 22 6.103 -5.262 1.233
134 HA LYS 22 HA LYS 22 3.477 -4.456 0.684
135 HB2 LYS 22 1HB LYS 22 3.434 -6.245 -0.961
136 HB3 LYS 22 2HB LYS 22 4.971 -5.389 -0.972
137 HG2 LYS 22 1HG LYS 22 6.000 -7.258 0.356
138 HG3 LYS 22 2HG LYS 22 4.455 -8.128 0.274
139 HD2 LYS 22 1HD LYS 22 4.595 -8.140 -2.204
140 HD3 LYS 22 2HD LYS 22 6.135 -7.253 -2.121
141 HE2 LYS 22 1HE LYS 22 7.134 -9.118 -0.815
142 HE3 LYS 22 2HE LYS 22 5.606 -10.004 -0.906
143 HZ1 LYS 22 3HZ LYS 22 7.158 -10.739 -2.623
144 HZ2 LYS 22 1HZ LYS 22 7.274 -9.236 -3.247
145 HZ3 LYS 22 2HZ LYS 22 5.860 -10.054 -3.333
146 H ASN 23 H ASN 23 4.410 -6.948 2.921
147 HA ASN 23 HA ASN 23 1.924 -8.322 3.171
148 HB2 ASN 23 1HB ASN 23 4.166 -9.059 4.053
149 HB3 ASN 23 2HB ASN 23 4.057 -7.799 5.287
150 HD21 ASN 23 1HD2 ASN 23 3.726 -8.938 7.196
151 HD22 ASN 23 2HD2 ASN 23 2.492 -10.173 7.382
152 H CYS 24 H CYS 24 2.890 -5.132 4.366
153 HA CYS 24 HA CYS 24 0.411 -4.883 5.986
154 HB2 CYS 24 1HB CYS 24 2.788 -3.042 5.522
155 HB3 CYS 24 2HB CYS 24 1.370 -2.623 6.496
156 HG CYS 24 HG CYS 24 3.448 -3.332 8.014
157 H LEU 25 H LEU 25 1.756 -3.699 2.868
158 HA LEU 25 HA LEU 25 -0.360 -1.964 2.285
159 HB2 LEU 25 1HB LEU 25 1.771 -1.990 1.042
160 HB3 LEU 25 2HB LEU 25 1.364 -3.578 0.378
161 HG LEU 25 HG LEU 25 -0.626 -2.581 -0.770
162 HD11 LEU 25 1HD1 LEU 25 -0.744 -0.108 -0.987
163 HD12 LEU 25 2HD1 LEU 25 0.520 0.060 0.249
164 HD13 LEU 25 3HD1 LEU 25 -1.070 -0.633 0.659
165 HD21 LEU 25 3HD2 LEU 25 1.945 -1.140 -1.424
166 HD22 LEU 25 1HD2 LEU 25 0.590 -1.495 -2.517
167 HD23 LEU 25 2HD2 LEU 25 1.581 -2.818 -1.891
168 H LYS 26 H LYS 26 -0.067 -5.491 1.541
169 HA LYS 26 HA LYS 26 -2.521 -5.686 0.112
170 HB2 LYS 26 1HB LYS 26 -2.415 -8.051 0.422
171 HB3 LYS 26 2HB LYS 26 -0.791 -7.434 0.110
172 HG2 LYS 26 1HG LYS 26 -0.328 -7.523 2.571
173 HG3 LYS 26 2HG LYS 26 -1.909 -8.264 2.832
174 HD2 LYS 26 1HD LYS 26 0.338 -9.437 1.135
175 HD3 LYS 26 2HD LYS 26 -0.052 -9.901 2.800
176 HE2 LYS 26 1HE LYS 26 -2.335 -10.595 2.067
177 HE3 LYS 26 2HE LYS 26 -1.908 -10.201 0.396
178 HZ1 LYS 26 3HZ LYS 26 -0.153 -11.891 0.516
179 HZ2 LYS 26 1HZ LYS 26 -1.600 -12.564 0.854
180 HZ3 LYS 26 2HZ LYS 26 -0.546 -12.254 2.060
181 H ARG 27 H ARG 27 -2.016 -5.625 3.598
182 HA ARG 27 HA ARG 27 -4.686 -6.349 4.393
183 HB2 ARG 27 1HB ARG 27 -2.537 -6.233 5.796
184 HB3 ARG 27 2HB ARG 27 -2.771 -4.481 5.861
185 HG2 ARG 27 1HG ARG 27 -5.057 -4.907 6.882
186 HG3 ARG 27 2HG ARG 27 -4.646 -6.628 6.940
187 HD2 ARG 27 1HD ARG 27 -3.224 -4.333 8.356
188 HD3 ARG 27 2HD ARG 27 -4.235 -5.562 9.106
189 HE ARG 27 HE ARG 27 -2.555 -7.263 8.545
190 HH11 ARG 27 2HH1 ARG 27 -1.355 -3.962 8.491
191 HH12 ARG 27 1HH1 ARG 27 0.304 -4.481 8.640
192 HH21 ARG 27 2HH2 ARG 27 -0.421 -7.829 8.708
193 HH22 ARG 27 1HH2 ARG 27 0.807 -6.599 8.750
194 H HIS 28 H HIS 28 -3.236 -3.168 3.597
195 HA HIS 28 HA HIS 28 -5.617 -1.600 4.020
196 HB2 HIS 28 1HB HIS 28 -3.604 -0.406 3.825
197 HB3 HIS 28 2HB HIS 28 -3.106 -1.239 2.369
198 HD1 HIS 28 1HD HIS 28 -5.241 1.708 3.443
199 HD2 HIS 28 2HD HIS 28 -4.109 -0.433 0.009
200 HE1 HIS 28 1HE HIS 28 -5.964 3.134 1.475
201 H VAL 29 H VAL 29 -4.399 -3.285 1.061
202 HA VAL 29 HA VAL 29 -6.614 -2.515 -0.583
203 HB VAL 29 HB VAL 29 -4.855 -4.985 -0.834
204 HG11 VAL 29 1HG1 VAL 29 -6.875 -5.206 -2.232
205 HG12 VAL 29 2HG1 VAL 29 -6.622 -3.569 -2.879
206 HG13 VAL 29 3HG1 VAL 29 -5.470 -4.871 -3.243
207 HG21 VAL 29 3HG2 VAL 29 -3.591 -3.634 -2.476
208 HG22 VAL 29 1HG2 VAL 29 -4.617 -2.227 -2.132
209 HG23 VAL 29 2HG2 VAL 29 -3.533 -2.876 -0.887
210 H ILE 30 H ILE 30 -6.206 -5.397 1.493
211 HA ILE 30 HA ILE 30 -8.695 -6.655 0.904
212 HB ILE 30 HB ILE 30 -6.834 -6.722 3.296
213 HG12 ILE 30 1HG1 ILE 30 -7.451 -8.902 1.264
214 HG13 ILE 30 2HG1 ILE 30 -6.217 -7.702 0.959
215 HG21 ILE 30 1HG2 ILE 30 -9.309 -8.452 2.864
216 HG22 ILE 30 2HG2 ILE 30 -8.049 -8.763 4.075
217 HG23 ILE 30 3HG2 ILE 30 -9.029 -7.317 4.206
218 HD11 ILE 30 3HD1 ILE 30 -6.211 -9.730 3.228
219 HD12 ILE 30 1HD1 ILE 30 -5.146 -9.669 1.817
220 HD13 ILE 30 2HD1 ILE 30 -5.032 -8.410 3.060
221 H GLN 31 H GLN 31 -7.922 -4.126 3.323
222 HA GLN 31 HA GLN 31 -10.634 -4.236 4.441
223 HB2 GLN 31 1HB GLN 31 -8.166 -2.582 5.064
224 HB3 GLN 31 2HB GLN 31 -9.703 -2.410 5.924
225 HG2 GLN 31 1HG GLN 31 -9.639 -4.759 6.628
226 HG3 GLN 31 2HG GLN 31 -8.135 -5.025 5.754
227 HE21 GLN 31 2HE2 GLN 31 -7.964 -5.728 8.313
228 HE22 GLN 31 1HE2 GLN 31 -7.143 -4.500 9.266
229 H LYS 32 H LYS 32 -8.905 -2.004 2.275
230 HA LYS 32 HA LYS 32 -11.144 -0.032 2.475
231 HB2 LYS 32 1HB LYS 32 -8.313 0.353 1.438
232 HB3 LYS 32 2HB LYS 32 -9.509 1.609 1.725
233 HG2 LYS 32 1HG LYS 32 -8.168 -0.108 3.860
234 HG3 LYS 32 2HG LYS 32 -7.837 1.582 3.488
235 HD2 LYS 32 1HD LYS 32 -10.146 2.198 4.165
236 HD3 LYS 32 2HD LYS 32 -10.468 0.502 4.593
237 HE2 LYS 32 1HE LYS 32 -8.604 0.553 6.226
238 HE3 LYS 32 2HE LYS 32 -8.280 2.241 5.811
239 HZ1 LYS 32 3HZ LYS 32 -10.511 2.801 6.620
240 HZ2 LYS 32 1HZ LYS 32 -9.659 2.069 7.802
241 HZ3 LYS 32 2HZ LYS 32 -10.814 1.241 7.003
242 H HIS 33 H HIS 33 -9.959 -2.273 0.147
243 HA HIS 33 HA HIS 33 -11.441 -0.832 -2.019
244 HB2 HIS 33 1HB HIS 33 -8.774 -2.257 -2.277
245 HB3 HIS 33 2HB HIS 33 -9.694 -1.534 -3.590
246 HD1 HIS 33 1HD HIS 33 -10.352 1.315 -2.384
247 HD2 HIS 33 2HD HIS 33 -6.692 -0.721 -2.069
248 HE1 HIS 33 1HE HIS 33 -8.606 3.104 -1.969
249 H SER 34 H SER 34 -12.017 -2.199 -3.883
250 HA SER 34 HA SER 34 -13.608 -4.393 -2.985
251 HB2 SER 34 1HB SER 34 -14.166 -2.923 -4.904
252 HB3 SER 34 2HB SER 34 -12.860 -3.678 -5.841
253 HG SER 34 HG SER 34 -14.935 -4.653 -6.203
254 H ASN 35 H ASN 35 -13.174 -6.457 -2.704
255 HA ASN 35 HA ASN 35 -11.238 -7.940 -4.293
256 HB2 ASN 35 1HB ASN 35 -9.859 -8.689 -2.457
257 HB3 ASN 35 2HB ASN 35 -9.807 -6.935 -2.514
258 HD21 ASN 35 1HD2 ASN 35 -11.121 -5.724 -0.843
259 HD22 ASN 35 2HD2 ASN 35 -11.282 -6.525 0.705
260 H ILE 36 H ILE 36 -11.381 -10.256 -3.940
261 HA ILE 36 HA ILE 36 -13.962 -11.186 -2.770
262 HB ILE 36 HB ILE 36 -14.373 -12.539 -4.772
263 HG12 ILE 36 1HG1 ILE 36 -12.132 -10.959 -6.113
264 HG13 ILE 36 2HG1 ILE 36 -12.027 -12.652 -5.628
265 HG21 ILE 36 1HG2 ILE 36 -15.337 -10.778 -6.099
266 HG22 ILE 36 2HG2 ILE 36 -15.419 -10.291 -4.406
267 HG23 ILE 36 3HG2 ILE 36 -14.185 -9.583 -5.471
268 HD11 ILE 36 3HD1 ILE 36 -13.926 -13.191 -7.165
269 HD12 ILE 36 1HD1 ILE 36 -13.886 -11.506 -7.745
270 HD13 ILE 36 2HD1 ILE 36 -12.485 -12.559 -7.985
271 H LEU 37 H LEU 37 -14.173 -13.489 -2.541
272 HA LEU 37 HA LEU 37 -11.639 -14.959 -2.016
273 HB2 LEU 37 1HB LEU 37 -12.584 -14.150 0.077
274 HB3 LEU 37 2HB LEU 37 -14.195 -14.701 -0.384
275 HG LEU 37 HG LEU 37 -13.452 -17.040 -0.296
276 HD11 LEU 37 1HD1 LEU 37 -10.843 -15.875 0.786
277 HD12 LEU 37 2HD1 LEU 37 -11.036 -16.788 -0.728
278 HD13 LEU 37 3HD1 LEU 37 -11.294 -17.596 0.822
279 HD21 LEU 37 3HD2 LEU 37 -12.880 -15.439 2.233
280 HD22 LEU 37 1HD2 LEU 37 -13.285 -17.171 2.161
281 HD23 LEU 37 2HD2 LEU 37 -14.481 -15.964 1.665
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 26.808 8.680 -2.340
2 H2 GLY 1 2H GLY 1 25.318 8.004 -2.438
3 H3 GLY 1 3H GLY 1 26.316 7.979 -3.737
4 HA2 GLY 1 1HA GLY 1 27.867 6.535 -2.604
5 HA3 GLY 1 2HA GLY 1 26.804 6.576 -1.187
6 H SER 2 H SER 2 27.713 4.323 -2.969
7 HA SER 2 HA SER 2 25.411 3.472 -4.512
8 HB2 SER 2 1HB SER 2 27.917 1.934 -3.754
9 HB3 SER 2 2HB SER 2 26.768 1.526 -5.042
10 HG SER 2 HG SER 2 28.607 2.648 -5.847
11 H SER 3 H SER 3 26.031 3.155 -1.174
12 HA SER 3 HA SER 3 25.144 0.524 -0.624
13 HB2 SER 3 1HB SER 3 24.939 2.986 1.148
14 HB3 SER 3 2HB SER 3 24.886 1.294 1.678
15 HG SER 3 HG SER 3 26.984 2.207 1.913
16 H GLY 4 H GLY 4 23.216 -0.327 0.171
17 HA2 GLY 4 1HA GLY 4 20.710 0.742 -0.848
18 HA3 GLY 4 2HA GLY 4 20.931 -0.712 0.117
19 H SER 5 H SER 5 18.755 0.682 0.618
20 HA SER 5 HA SER 5 19.189 2.056 3.241
21 HB2 SER 5 1HB SER 5 17.265 2.907 1.045
22 HB3 SER 5 2HB SER 5 17.341 3.594 2.677
23 HG SER 5 HG SER 5 18.525 4.834 1.137
24 H SER 6 H SER 6 17.547 1.837 4.776
25 HA SER 6 HA SER 6 16.248 -0.722 4.760
26 HB2 SER 6 1HB SER 6 16.015 1.536 6.779
27 HB3 SER 6 2HB SER 6 15.609 -0.171 7.043
28 HG SER 6 HG SER 6 17.708 0.352 7.824
29 H GLY 7 H GLY 7 15.044 2.224 3.561
30 HA2 GLY 7 1HA GLY 7 12.291 2.093 4.402
31 HA3 GLY 7 2HA GLY 7 12.955 3.080 3.103
32 H HIS 8 H HIS 8 11.858 -0.200 3.894
33 HA HIS 8 HA HIS 8 11.462 -0.994 1.101
34 HB2 HIS 8 1HB HIS 8 10.833 -2.359 3.743
35 HB3 HIS 8 2HB HIS 8 10.535 -3.070 2.159
36 HD1 HIS 8 1HD HIS 8 13.575 -1.916 4.274
37 HD2 HIS 8 2HD HIS 8 12.524 -4.239 0.924
38 HE1 HIS 8 1HE HIS 8 15.683 -3.185 3.593
39 H LEU 9 H LEU 9 10.115 1.125 0.951
40 HA LEU 9 HA LEU 9 7.333 0.962 1.842
41 HB2 LEU 9 1HB LEU 9 8.882 2.911 0.098
42 HB3 LEU 9 2HB LEU 9 7.145 3.001 0.258
43 HG LEU 9 HG LEU 9 8.168 4.629 1.661
44 HD11 LEU 9 1HD1 LEU 9 7.029 2.449 3.441
45 HD12 LEU 9 2HD1 LEU 9 6.061 3.549 2.430
46 HD13 LEU 9 3HD1 LEU 9 7.051 4.191 3.752
47 HD21 LEU 9 3HD2 LEU 9 10.326 3.526 2.125
48 HD22 LEU 9 1HD2 LEU 9 9.506 2.405 3.242
49 HD23 LEU 9 2HD2 LEU 9 9.543 4.143 3.590
50 H TYR 10 H TYR 10 5.562 0.458 0.742
51 HA TYR 10 HA TYR 10 5.682 -0.171 -2.170
52 HB2 TYR 10 1HB TYR 10 4.277 -1.797 -0.019
53 HB3 TYR 10 2HB TYR 10 4.075 -2.014 -1.753
54 HD1 TYR 10 1HD TYR 10 6.500 -2.330 1.040
55 HD2 TYR 10 2HD TYR 10 5.715 -3.137 -3.121
56 HE1 TYR 10 1HE TYR 10 8.485 -3.845 0.957
57 HE2 TYR 10 2HE TYR 10 7.696 -4.645 -3.203
58 HH TYR 10 HH TYR 10 9.447 -5.561 -2.034
59 H TYR 11 H TYR 11 3.800 0.314 -3.333
60 HA TYR 11 HA TYR 11 2.061 2.387 -2.055
61 HB2 TYR 11 1HB TYR 11 3.336 2.328 -4.812
62 HB3 TYR 11 2HB TYR 11 2.200 3.539 -4.246
63 HD1 TYR 11 2HD TYR 11 5.616 2.102 -3.573
64 HD2 TYR 11 1HD TYR 11 2.953 5.472 -3.118
65 HE1 TYR 11 2HE TYR 11 7.476 3.444 -2.606
66 HE2 TYR 11 1HE TYR 11 4.824 6.821 -2.183
67 HH TYR 11 HH TYR 11 7.035 6.844 -1.563
68 H CYS 12 H CYS 12 -0.064 2.534 -2.610
69 HA CYS 12 HA CYS 12 -1.411 0.179 -3.512
70 HB2 CYS 12 1HB CYS 12 -2.164 1.780 -1.782
71 HB3 CYS 12 2HB CYS 12 -2.447 2.991 -3.042
72 H SER 13 H SER 13 -2.884 -0.081 -5.164
73 HA SER 13 HA SER 13 -2.084 1.069 -7.786
74 HB2 SER 13 1HB SER 13 -3.276 -0.867 -8.729
75 HB3 SER 13 2HB SER 13 -1.990 -1.344 -7.606
76 HG SER 13 HG SER 13 -3.930 -2.513 -7.231
77 H GLN 14 H GLN 14 -4.598 1.401 -5.468
78 HA GLN 14 HA GLN 14 -6.446 2.565 -7.538
79 HB2 GLN 14 1HB GLN 14 -7.178 1.120 -4.966
80 HB3 GLN 14 2HB GLN 14 -8.299 1.911 -6.084
81 HG2 GLN 14 1HG GLN 14 -7.430 0.360 -7.909
82 HG3 GLN 14 2HG GLN 14 -6.564 -0.524 -6.651
83 HE21 GLN 14 1HE2 GLN 14 -8.053 -2.264 -7.729
84 HE22 GLN 14 2HE2 GLN 14 -9.656 -2.436 -7.004
85 H CYS 15 H CYS 15 -4.640 3.369 -4.717
86 HA CYS 15 HA CYS 15 -5.803 6.060 -4.760
87 HB2 CYS 15 1HB CYS 15 -6.332 6.179 -2.440
88 HB3 CYS 15 2HB CYS 15 -7.182 4.799 -3.117
89 H HIS 16 H HIS 16 -4.553 7.281 -2.762
90 HA HIS 16 HA HIS 16 -1.778 7.346 -3.716
91 HB2 HIS 16 1HB HIS 16 -1.653 9.478 -2.602
92 HB3 HIS 16 2HB HIS 16 -3.122 9.394 -3.563
93 HD1 HIS 16 1HD HIS 16 -2.027 9.268 0.147
94 HD2 HIS 16 2HD HIS 16 -5.427 9.756 -2.286
95 HE1 HIS 16 1HE HIS 16 -3.928 9.956 1.706
96 H TYR 17 H TYR 17 -3.107 5.430 -1.406
97 HA TYR 17 HA TYR 17 -1.509 5.876 0.908
98 HB2 TYR 17 1HB TYR 17 -3.601 4.616 0.897
99 HB3 TYR 17 2HB TYR 17 -2.877 3.379 -0.126
100 HD1 TYR 17 1HD TYR 17 -3.041 4.767 3.292
101 HD2 TYR 17 2HD TYR 17 -1.320 1.716 0.770
102 HE1 TYR 17 1HE TYR 17 -2.369 3.475 5.311
103 HE2 TYR 17 2HE TYR 17 -0.632 0.433 2.798
104 HH TYR 17 HH TYR 17 -1.377 1.577 6.110
105 H SER 18 H SER 18 0.319 4.952 1.716
106 HA SER 18 HA SER 18 1.660 2.764 0.369
107 HB2 SER 18 1HB SER 18 3.854 3.827 0.210
108 HB3 SER 18 2HB SER 18 2.660 4.664 -0.794
109 HG SER 18 HG SER 18 3.953 6.138 0.392
110 H SER 19 H SER 19 3.136 1.643 1.697
111 HA SER 19 HA SER 19 3.752 2.615 4.376
112 HB2 SER 19 1HB SER 19 1.414 1.602 4.554
113 HB3 SER 19 2HB SER 19 2.170 0.028 4.239
114 HG SER 19 HG SER 19 2.002 0.549 6.494
115 H ILE 20 H ILE 20 4.979 0.902 5.632
116 HA ILE 20 HA ILE 20 7.113 -0.200 3.948
117 HB ILE 20 HB ILE 20 6.728 -0.268 6.961
118 HG12 ILE 20 1HG1 ILE 20 8.551 1.452 5.210
119 HG13 ILE 20 2HG1 ILE 20 7.078 2.016 5.997
120 HG21 ILE 20 1HG2 ILE 20 9.110 -0.980 7.050
121 HG22 ILE 20 2HG2 ILE 20 8.137 -2.166 6.215
122 HG23 ILE 20 3HG2 ILE 20 9.159 -1.049 5.276
123 HD11 ILE 20 3HD1 ILE 20 8.905 2.773 7.307
124 HD12 ILE 20 1HD1 ILE 20 8.103 1.485 8.227
125 HD13 ILE 20 2HD1 ILE 20 9.641 1.169 7.380
126 H THR 21 H THR 21 7.467 -2.254 3.499
127 HA THR 21 HA THR 21 7.111 -4.294 2.829
128 HB THR 21 HB THR 21 7.612 -5.023 5.009
129 HG1 THR 21 1HG THR 21 6.816 -7.041 4.709
130 HG21 THR 21 3HG2 THR 21 4.622 -4.981 5.582
131 HG22 THR 21 1HG2 THR 21 5.930 -4.212 6.512
132 HG23 THR 21 2HG2 THR 21 5.793 -5.967 6.487
133 H LYS 22 H LYS 22 5.948 -5.571 1.591
134 HA LYS 22 HA LYS 22 3.444 -4.583 0.591
135 HB2 LYS 22 1HB LYS 22 5.232 -5.753 -0.702
136 HB3 LYS 22 2HB LYS 22 4.775 -7.275 0.081
137 HG2 LYS 22 1HG LYS 22 2.492 -7.075 -0.895
138 HG3 LYS 22 2HG LYS 22 2.940 -5.538 -1.647
139 HD2 LYS 22 1HD LYS 22 4.233 -8.243 -2.225
140 HD3 LYS 22 2HD LYS 22 2.967 -7.485 -3.201
141 HE2 LYS 22 1HE LYS 22 4.464 -5.540 -3.632
142 HE3 LYS 22 2HE LYS 22 5.747 -6.331 -2.704
143 HZ1 LYS 22 3HZ LYS 22 4.521 -7.427 -5.181
144 HZ2 LYS 22 1HZ LYS 22 5.707 -8.153 -4.324
145 HZ3 LYS 22 2HZ LYS 22 5.997 -6.742 -5.087
146 H ASN 23 H ASN 23 4.151 -6.864 3.155
147 HA ASN 23 HA ASN 23 1.604 -8.179 3.302
148 HB2 ASN 23 1HB ASN 23 3.672 -8.844 4.549
149 HB3 ASN 23 2HB ASN 23 3.526 -7.399 5.551
150 HD21 ASN 23 1HD2 ASN 23 2.116 -10.565 4.818
151 HD22 ASN 23 2HD2 ASN 23 1.107 -10.622 6.251
152 H CYS 24 H CYS 24 2.692 -5.002 4.570
153 HA CYS 24 HA CYS 24 0.182 -4.432 5.928
154 HB2 CYS 24 1HB CYS 24 2.475 -3.483 6.506
155 HB3 CYS 24 2HB CYS 24 2.356 -2.489 5.044
156 HG CYS 24 HG CYS 24 0.313 -2.649 7.674
157 H LEU 25 H LEU 25 1.590 -3.523 2.733
158 HA LEU 25 HA LEU 25 -0.580 -2.000 1.872
159 HB2 LEU 25 1HB LEU 25 1.619 -2.042 0.754
160 HB3 LEU 25 2HB LEU 25 1.324 -3.705 0.229
161 HG LEU 25 HG LEU 25 -0.631 -2.933 -1.119
162 HD11 LEU 25 1HD1 LEU 25 -1.260 -0.893 0.126
163 HD12 LEU 25 2HD1 LEU 25 -0.904 -0.516 -1.548
164 HD13 LEU 25 3HD1 LEU 25 0.300 -0.141 -0.297
165 HD21 LEU 25 3HD2 LEU 25 1.664 -3.119 -2.079
166 HD22 LEU 25 1HD2 LEU 25 1.884 -1.382 -1.755
167 HD23 LEU 25 2HD2 LEU 25 0.632 -1.927 -2.887
168 H LYS 26 H LYS 26 -0.065 -5.545 1.512
169 HA LYS 26 HA LYS 26 -2.458 -6.148 0.088
170 HB2 LYS 26 1HB LYS 26 -0.542 -7.690 0.444
171 HB3 LYS 26 2HB LYS 26 -0.971 -7.838 2.154
172 HG2 LYS 26 1HG LYS 26 -3.152 -8.831 1.529
173 HG3 LYS 26 2HG LYS 26 -2.767 -8.619 -0.190
174 HD2 LYS 26 1HD LYS 26 -0.827 -10.147 0.061
175 HD3 LYS 26 2HD LYS 26 -1.208 -10.350 1.786
176 HE2 LYS 26 1HE LYS 26 -3.436 -11.272 1.182
177 HE3 LYS 26 2HE LYS 26 -3.064 -11.063 -0.534
178 HZ1 LYS 26 3HZ LYS 26 -2.633 -13.340 0.192
179 HZ2 LYS 26 1HZ LYS 26 -1.572 -12.842 1.325
180 HZ3 LYS 26 2HZ LYS 26 -1.228 -12.647 -0.260
181 H ARG 27 H ARG 27 -1.920 -5.904 3.614
182 HA ARG 27 HA ARG 27 -4.633 -6.444 4.389
183 HB2 ARG 27 1HB ARG 27 -2.563 -6.543 5.792
184 HB3 ARG 27 2HB ARG 27 -2.539 -4.777 5.854
185 HG2 ARG 27 1HG ARG 27 -4.721 -4.766 6.998
186 HG3 ARG 27 2HG ARG 27 -4.837 -6.527 6.854
187 HD2 ARG 27 1HD ARG 27 -2.675 -5.028 8.411
188 HD3 ARG 27 2HD ARG 27 -4.117 -5.748 9.112
189 HE ARG 27 HE ARG 27 -3.318 -7.939 8.677
190 HH11 ARG 27 2HH1 ARG 27 -0.812 -5.587 7.902
191 HH12 ARG 27 1HH1 ARG 27 0.367 -6.868 7.640
192 HH21 ARG 27 2HH2 ARG 27 -1.663 -9.440 8.438
193 HH22 ARG 27 1HH2 ARG 27 -0.071 -8.862 7.972
194 H HIS 28 H HIS 28 -3.056 -3.321 3.556
195 HA HIS 28 HA HIS 28 -5.377 -1.677 3.947
196 HB2 HIS 28 1HB HIS 28 -3.331 -0.553 3.646
197 HB3 HIS 28 2HB HIS 28 -2.921 -1.438 2.189
198 HD1 HIS 28 1HD HIS 28 -4.959 1.572 3.294
199 HD2 HIS 28 2HD HIS 28 -4.065 -0.666 -0.148
200 HE1 HIS 28 1HE HIS 28 -5.817 2.939 1.343
201 H VAL 29 H VAL 29 -4.285 -3.434 0.971
202 HA VAL 29 HA VAL 29 -6.512 -2.630 -0.625
203 HB VAL 29 HB VAL 29 -4.731 -5.087 -0.842
204 HG11 VAL 29 1HG1 VAL 29 -6.802 -5.533 -2.099
205 HG12 VAL 29 2HG1 VAL 29 -6.695 -3.930 -2.868
206 HG13 VAL 29 3HG1 VAL 29 -5.483 -5.180 -3.215
207 HG21 VAL 29 3HG2 VAL 29 -3.580 -2.867 -1.132
208 HG22 VAL 29 1HG2 VAL 29 -3.614 -3.814 -2.617
209 HG23 VAL 29 2HG2 VAL 29 -4.738 -2.458 -2.405
210 H ILE 30 H ILE 30 -6.157 -5.498 1.499
211 HA ILE 30 HA ILE 30 -8.756 -6.596 1.011
212 HB ILE 30 HB ILE 30 -6.882 -6.729 3.399
213 HG12 ILE 30 1HG1 ILE 30 -7.610 -8.891 1.379
214 HG13 ILE 30 2HG1 ILE 30 -6.273 -7.793 1.111
215 HG21 ILE 30 1HG2 ILE 30 -8.250 -8.657 4.208
216 HG22 ILE 30 2HG2 ILE 30 -9.142 -7.151 4.272
217 HG23 ILE 30 3HG2 ILE 30 -9.460 -8.307 2.958
218 HD11 ILE 30 3HD1 ILE 30 -5.206 -8.571 3.234
219 HD12 ILE 30 1HD1 ILE 30 -6.500 -9.780 3.404
220 HD13 ILE 30 2HD1 ILE 30 -5.411 -9.847 2.016
221 H GLN 31 H GLN 31 -7.691 -4.254 3.544
222 HA GLN 31 HA GLN 31 -10.291 -4.110 4.723
223 HB2 GLN 31 1HB GLN 31 -8.178 -3.796 5.935
224 HB3 GLN 31 2HB GLN 31 -7.841 -2.332 5.012
225 HG2 GLN 31 1HG GLN 31 -8.616 -1.774 7.243
226 HG3 GLN 31 2HG GLN 31 -9.773 -1.199 6.058
227 HE21 GLN 31 1HE2 GLN 31 -11.850 -2.423 5.839
228 HE22 GLN 31 2HE2 GLN 31 -12.401 -3.371 7.221
229 H LYS 32 H LYS 32 -8.705 -1.993 2.342
230 HA LYS 32 HA LYS 32 -10.981 -0.056 2.481
231 HB2 LYS 32 1HB LYS 32 -8.188 0.237 1.299
232 HB3 LYS 32 2HB LYS 32 -9.398 1.507 1.415
233 HG2 LYS 32 1HG LYS 32 -8.043 0.123 3.774
234 HG3 LYS 32 2HG LYS 32 -7.697 1.736 3.149
235 HD2 LYS 32 1HD LYS 32 -10.033 2.441 3.701
236 HD3 LYS 32 2HD LYS 32 -10.314 0.847 4.439
237 HE2 LYS 32 1HE LYS 32 -8.451 1.237 6.021
238 HE3 LYS 32 2HE LYS 32 -8.136 2.809 5.278
239 HZ1 LYS 32 3HZ LYS 32 -9.501 3.037 7.274
240 HZ2 LYS 32 1HZ LYS 32 -10.663 2.070 6.661
241 HZ3 LYS 32 2HZ LYS 32 -10.357 3.523 5.975
242 H HIS 33 H HIS 33 -9.557 -2.301 0.203
243 HA HIS 33 HA HIS 33 -11.411 -1.264 -1.918
244 HB2 HIS 33 1HB HIS 33 -8.683 -2.527 -2.312
245 HB3 HIS 33 2HB HIS 33 -9.723 -1.838 -3.551
246 HD1 HIS 33 1HD HIS 33 -10.363 0.999 -2.356
247 HD2 HIS 33 2HD HIS 33 -6.643 -0.938 -2.176
248 HE1 HIS 33 1HE HIS 33 -8.649 2.836 -2.002
249 H SER 34 H SER 34 -10.667 -4.002 -0.029
250 HA SER 34 HA SER 34 -11.070 -6.189 -0.098
251 HB2 SER 34 1HB SER 34 -13.412 -6.848 -0.398
252 HB3 SER 34 2HB SER 34 -13.167 -5.442 0.634
253 HG SER 34 HG SER 34 -13.793 -4.106 -1.104
254 H ASN 35 H ASN 35 -9.638 -5.411 -2.373
255 HA ASN 35 HA ASN 35 -8.911 -6.012 -4.392
256 HB2 ASN 35 1HB ASN 35 -8.529 -8.092 -2.993
257 HB3 ASN 35 2HB ASN 35 -9.955 -8.787 -3.765
258 HD21 ASN 35 2HD2 ASN 35 -8.617 -10.485 -4.655
259 HD22 ASN 35 1HD2 ASN 35 -7.535 -10.144 -5.998
260 H ILE 36 H ILE 36 -11.636 -4.936 -4.378
261 HA ILE 36 HA ILE 36 -12.911 -6.146 -6.763
262 HB ILE 36 HB ILE 36 -13.668 -3.730 -5.089
263 HG12 ILE 36 1HG1 ILE 36 -13.888 -5.741 -3.756
264 HG13 ILE 36 2HG1 ILE 36 -15.466 -5.105 -4.161
265 HG21 ILE 36 1HG2 ILE 36 -15.185 -5.111 -7.342
266 HG22 ILE 36 2HG2 ILE 36 -15.905 -3.952 -6.204
267 HG23 ILE 36 3HG2 ILE 36 -14.616 -3.428 -7.283
268 HD11 ILE 36 3HD1 ILE 36 -15.455 -7.542 -4.280
269 HD12 ILE 36 1HD1 ILE 36 -15.735 -6.880 -5.898
270 HD13 ILE 36 2HD1 ILE 36 -14.134 -7.528 -5.456
271 H LEU 37 H LEU 37 -13.029 -5.195 -8.756
272 HA LEU 37 HA LEU 37 -11.769 -2.627 -9.340
273 HB2 LEU 37 1HB LEU 37 -10.285 -3.557 -11.101
274 HB3 LEU 37 2HB LEU 37 -9.826 -3.953 -9.461
275 HG LEU 37 HG LEU 37 -10.712 -6.270 -9.760
276 HD11 LEU 37 1HD1 LEU 37 -11.053 -7.075 -12.107
277 HD12 LEU 37 2HD1 LEU 37 -11.084 -5.383 -12.655
278 HD13 LEU 37 3HD1 LEU 37 -12.338 -6.005 -11.556
279 HD21 LEU 37 3HD2 LEU 37 -8.341 -5.699 -10.102
280 HD22 LEU 37 1HD2 LEU 37 -8.664 -5.341 -11.814
281 HD23 LEU 37 2HD2 LEU 37 -8.853 -6.996 -11.191
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 11.899 19.559 -4.896
2 H2 GLY 1 2H GLY 1 12.253 17.966 -5.063
3 H3 GLY 1 3H GLY 1 10.696 18.469 -5.122
4 HA2 GLY 1 1HA GLY 1 11.086 19.681 -7.159
5 HA3 GLY 1 2HA GLY 1 12.782 19.164 -7.090
6 H SER 2 H SER 2 10.812 18.663 -9.211
7 HA SER 2 HA SER 2 9.725 16.027 -9.078
8 HB2 SER 2 1HB SER 2 9.375 16.338 -11.519
9 HB3 SER 2 2HB SER 2 8.806 17.700 -10.540
10 HG SER 2 HG SER 2 10.012 18.383 -12.385
11 H SER 3 H SER 3 12.987 16.995 -9.734
12 HA SER 3 HA SER 3 13.817 14.565 -11.115
13 HB2 SER 3 1HB SER 3 16.093 15.491 -10.709
14 HB3 SER 3 2HB SER 3 14.997 16.623 -11.516
15 HG SER 3 HG SER 3 16.177 17.607 -9.790
16 H GLY 4 H GLY 4 12.973 15.123 -7.870
17 HA2 GLY 4 1HA GLY 4 14.935 13.531 -6.485
18 HA3 GLY 4 2HA GLY 4 13.353 14.018 -5.886
19 H SER 5 H SER 5 14.248 11.644 -5.123
20 HA SER 5 HA SER 5 12.412 9.695 -6.374
21 HB2 SER 5 1HB SER 5 14.697 9.456 -7.448
22 HB3 SER 5 2HB SER 5 15.322 8.989 -5.855
23 HG SER 5 HG SER 5 14.682 7.186 -7.176
24 H SER 6 H SER 6 12.298 7.667 -5.019
25 HA SER 6 HA SER 6 12.820 7.984 -2.137
26 HB2 SER 6 1HB SER 6 10.603 9.169 -2.709
27 HB3 SER 6 2HB SER 6 9.963 7.559 -3.070
28 HG SER 6 HG SER 6 10.867 8.655 -0.612
29 H GLY 7 H GLY 7 11.858 6.020 -0.927
30 HA2 GLY 7 1HA GLY 7 11.578 3.495 -2.299
31 HA3 GLY 7 2HA GLY 7 13.225 3.707 -1.701
32 H HIS 8 H HIS 8 12.518 1.715 -0.532
33 HA HIS 8 HA HIS 8 11.907 0.535 1.270
34 HB2 HIS 8 1HB HIS 8 13.485 2.376 2.170
35 HB3 HIS 8 2HB HIS 8 12.055 3.037 2.949
36 HD1 HIS 8 1HD HIS 8 10.745 0.848 4.456
37 HD2 HIS 8 2HD HIS 8 14.874 0.837 3.691
38 HE1 HIS 8 1HE HIS 8 11.800 -0.676 6.237
39 H LEU 9 H LEU 9 9.707 1.854 -0.270
40 HA LEU 9 HA LEU 9 7.461 1.307 1.593
41 HB2 LEU 9 1HB LEU 9 7.820 3.777 -0.157
42 HB3 LEU 9 2HB LEU 9 6.265 3.287 0.499
43 HG LEU 9 HG LEU 9 8.675 4.011 2.221
44 HD11 LEU 9 1HD1 LEU 9 7.460 6.106 2.656
45 HD12 LEU 9 2HD1 LEU 9 6.199 5.629 1.496
46 HD13 LEU 9 3HD1 LEU 9 7.857 5.944 0.939
47 HD21 LEU 9 3HD2 LEU 9 6.990 4.164 4.031
48 HD22 LEU 9 1HD2 LEU 9 7.074 2.527 3.378
49 HD23 LEU 9 2HD2 LEU 9 5.730 3.596 2.914
50 H TYR 10 H TYR 10 5.632 0.543 0.664
51 HA TYR 10 HA TYR 10 5.632 -0.091 -2.260
52 HB2 TYR 10 1HB TYR 10 4.321 -1.601 0.032
53 HB3 TYR 10 2HB TYR 10 4.144 -1.971 -1.681
54 HD1 TYR 10 1HD TYR 10 6.511 -1.975 1.173
55 HD2 TYR 10 2HD TYR 10 5.889 -3.090 -2.944
56 HE1 TYR 10 1HE TYR 10 8.577 -3.394 1.238
57 HE2 TYR 10 2HE TYR 10 7.925 -4.520 -2.869
58 HH TYR 10 HH TYR 10 9.675 -5.279 -1.598
59 H TYR 11 H TYR 11 3.809 0.476 -3.413
60 HA TYR 11 HA TYR 11 2.019 2.458 -2.070
61 HB2 TYR 11 1HB TYR 11 3.160 2.392 -4.883
62 HB3 TYR 11 2HB TYR 11 1.984 3.557 -4.300
63 HD1 TYR 11 1HD TYR 11 5.500 2.341 -3.792
64 HD2 TYR 11 2HD TYR 11 2.648 5.510 -3.112
65 HE1 TYR 11 1HE TYR 11 7.321 3.791 -2.932
66 HE2 TYR 11 2HE TYR 11 4.482 6.966 -2.260
67 HH TYR 11 HH TYR 11 7.883 5.851 -2.087
68 H CYS 12 H CYS 12 -0.126 2.526 -2.482
69 HA CYS 12 HA CYS 12 -1.496 0.148 -3.186
70 HB2 CYS 12 1HB CYS 12 -2.244 1.862 -1.595
71 HB3 CYS 12 2HB CYS 12 -2.463 3.014 -2.922
72 H SER 13 H SER 13 -2.938 -0.304 -4.838
73 HA SER 13 HA SER 13 -2.147 0.612 -7.534
74 HB2 SER 13 1HB SER 13 -3.492 -1.310 -8.298
75 HB3 SER 13 2HB SER 13 -2.225 -1.773 -7.152
76 HG SER 13 HG SER 13 -4.224 -2.769 -6.649
77 H GLN 14 H GLN 14 -4.604 1.352 -5.258
78 HA GLN 14 HA GLN 14 -6.364 2.480 -7.422
79 HB2 GLN 14 1HB GLN 14 -7.200 1.140 -4.829
80 HB3 GLN 14 2HB GLN 14 -8.281 1.982 -5.949
81 HG2 GLN 14 1HG GLN 14 -7.536 0.356 -7.756
82 HG3 GLN 14 2HG GLN 14 -6.684 -0.548 -6.503
83 HE21 GLN 14 1HE2 GLN 14 -8.176 -2.320 -7.329
84 HE22 GLN 14 2HE2 GLN 14 -9.787 -2.390 -6.624
85 H CYS 15 H CYS 15 -4.578 3.347 -4.591
86 HA CYS 15 HA CYS 15 -5.645 6.070 -4.804
87 HB2 CYS 15 1HB CYS 15 -6.249 6.337 -2.517
88 HB3 CYS 15 2HB CYS 15 -7.123 4.952 -3.147
89 H HIS 16 H HIS 16 -4.448 7.312 -2.761
90 HA HIS 16 HA HIS 16 -1.677 7.391 -3.688
91 HB2 HIS 16 1HB HIS 16 -3.382 9.331 -3.295
92 HB3 HIS 16 2HB HIS 16 -2.907 9.208 -1.605
93 HD1 HIS 16 1HD HIS 16 0.216 9.025 -1.857
94 HD2 HIS 16 2HD HIS 16 -2.268 11.439 -4.234
95 HE1 HIS 16 1HE HIS 16 1.696 10.926 -2.737
96 H TYR 17 H TYR 17 -3.093 5.563 -1.274
97 HA TYR 17 HA TYR 17 -1.426 5.971 0.989
98 HB2 TYR 17 1HB TYR 17 -3.566 4.795 1.040
99 HB3 TYR 17 2HB TYR 17 -2.913 3.513 0.027
100 HD1 TYR 17 1HD TYR 17 -2.938 4.971 3.426
101 HD2 TYR 17 2HD TYR 17 -1.421 1.802 0.923
102 HE1 TYR 17 1HE TYR 17 -2.256 3.695 5.452
103 HE2 TYR 17 2HE TYR 17 -0.723 0.534 2.953
104 HH TYR 17 HH TYR 17 -1.307 1.779 6.266
105 H SER 18 H SER 18 0.358 4.920 1.815
106 HA SER 18 HA SER 18 1.622 2.743 0.377
107 HB2 SER 18 1HB SER 18 3.861 3.744 0.266
108 HB3 SER 18 2HB SER 18 2.698 4.622 -0.734
109 HG SER 18 HG SER 18 2.562 6.213 0.868
110 H SER 19 H SER 19 3.124 1.544 1.607
111 HA SER 19 HA SER 19 3.590 2.282 4.427
112 HB2 SER 19 1HB SER 19 2.673 0.185 5.302
113 HB3 SER 19 2HB SER 19 1.430 1.176 4.533
114 HG SER 19 HG SER 19 1.269 -1.015 3.922
115 H ILE 20 H ILE 20 5.003 0.769 5.570
116 HA ILE 20 HA ILE 20 7.205 -0.229 3.892
117 HB ILE 20 HB ILE 20 6.825 -0.292 6.912
118 HG12 ILE 20 1HG1 ILE 20 8.477 1.604 5.174
119 HG13 ILE 20 2HG1 ILE 20 6.975 2.020 5.996
120 HG21 ILE 20 1HG2 ILE 20 8.370 -2.062 6.151
121 HG22 ILE 20 2HG2 ILE 20 9.287 -0.878 5.196
122 HG23 ILE 20 3HG2 ILE 20 9.264 -0.808 6.974
123 HD11 ILE 20 3HD1 ILE 20 9.627 1.373 7.316
124 HD12 ILE 20 1HD1 ILE 20 8.751 2.907 7.294
125 HD13 ILE 20 2HD1 ILE 20 8.084 1.534 8.198
126 H THR 21 H THR 21 7.606 -2.315 3.447
127 HA THR 21 HA THR 21 7.319 -4.485 2.987
128 HB THR 21 HB THR 21 5.958 -4.717 5.679
129 HG1 THR 21 1HG THR 21 8.035 -5.283 6.325
130 HG21 THR 21 3HG2 THR 21 5.542 -6.739 4.375
131 HG22 THR 21 1HG2 THR 21 6.791 -7.067 5.573
132 HG23 THR 21 2HG2 THR 21 7.250 -6.813 3.874
133 H LYS 22 H LYS 22 6.160 -5.389 1.459
134 HA LYS 22 HA LYS 22 3.632 -4.403 0.698
135 HB2 LYS 22 1HB LYS 22 5.444 -5.451 -0.722
136 HB3 LYS 22 2HB LYS 22 4.869 -7.037 -0.195
137 HG2 LYS 22 1HG LYS 22 2.650 -6.563 -1.198
138 HG3 LYS 22 2HG LYS 22 3.185 -4.926 -1.630
139 HD2 LYS 22 1HD LYS 22 4.937 -5.886 -3.104
140 HD3 LYS 22 2HD LYS 22 4.403 -7.525 -2.668
141 HE2 LYS 22 1HE LYS 22 2.144 -7.023 -3.584
142 HE3 LYS 22 2HE LYS 22 2.681 -5.398 -4.024
143 HZ1 LYS 22 3HZ LYS 22 4.314 -6.418 -5.525
144 HZ2 LYS 22 1HZ LYS 22 2.811 -6.914 -5.916
145 HZ3 LYS 22 2HZ LYS 22 3.816 -7.921 -5.117
146 H ASN 23 H ASN 23 4.314 -7.174 2.756
147 HA ASN 23 HA ASN 23 1.693 -8.331 2.717
148 HB2 ASN 23 1HB ASN 23 3.832 -9.387 3.570
149 HB3 ASN 23 2HB ASN 23 3.727 -8.338 4.987
150 HD21 ASN 23 1HD2 ASN 23 3.202 -9.768 6.641
151 HD22 ASN 23 2HD2 ASN 23 1.858 -10.893 6.552
152 H CYS 24 H CYS 24 2.862 -5.404 4.308
153 HA CYS 24 HA CYS 24 0.482 -5.140 6.028
154 HB2 CYS 24 1HB CYS 24 2.721 -3.188 5.343
155 HB3 CYS 24 2HB CYS 24 1.459 -2.937 6.557
156 HG CYS 24 HG CYS 24 3.812 -3.561 7.652
157 H LEU 25 H LEU 25 1.720 -3.684 2.961
158 HA LEU 25 HA LEU 25 -0.475 -2.076 2.373
159 HB2 LEU 25 1HB LEU 25 1.669 -2.011 1.157
160 HB3 LEU 25 2HB LEU 25 1.357 -3.618 0.503
161 HG LEU 25 HG LEU 25 -0.638 -2.731 -0.721
162 HD11 LEU 25 1HD1 LEU 25 -0.853 -0.273 -0.985
163 HD12 LEU 25 2HD1 LEU 25 0.375 -0.030 0.279
164 HD13 LEU 25 3HD1 LEU 25 -1.194 -0.776 0.669
165 HD21 LEU 25 3HD2 LEU 25 1.914 -1.215 -1.295
166 HD22 LEU 25 1HD2 LEU 25 0.612 -1.611 -2.438
167 HD23 LEU 25 2HD2 LEU 25 1.611 -2.906 -1.760
168 H LYS 26 H LYS 26 -0.023 -5.556 1.713
169 HA LYS 26 HA LYS 26 -2.316 -6.218 0.273
170 HB2 LYS 26 1HB LYS 26 -0.455 -7.740 1.043
171 HB3 LYS 26 2HB LYS 26 -1.173 -7.734 2.654
172 HG2 LYS 26 1HG LYS 26 -3.302 -8.705 1.584
173 HG3 LYS 26 2HG LYS 26 -2.371 -8.837 0.084
174 HD2 LYS 26 1HD LYS 26 -2.222 -10.977 1.104
175 HD3 LYS 26 2HD LYS 26 -0.658 -10.210 1.417
176 HE2 LYS 26 1HE LYS 26 -1.626 -9.484 3.695
177 HE3 LYS 26 2HE LYS 26 -3.024 -10.502 3.328
178 HZ1 LYS 26 3HZ LYS 26 -0.209 -11.366 3.675
179 HZ2 LYS 26 1HZ LYS 26 -1.381 -12.380 3.108
180 HZ3 LYS 26 2HZ LYS 26 -1.473 -11.763 4.619
181 H ARG 27 H ARG 27 -2.153 -5.769 3.832
182 HA ARG 27 HA ARG 27 -4.937 -6.355 4.295
183 HB2 ARG 27 1HB ARG 27 -3.074 -6.520 5.975
184 HB3 ARG 27 2HB ARG 27 -3.021 -4.751 6.050
185 HG2 ARG 27 1HG ARG 27 -5.360 -4.703 6.862
186 HG3 ARG 27 2HG ARG 27 -5.462 -6.469 6.702
187 HD2 ARG 27 1HD ARG 27 -3.649 -6.717 8.373
188 HD3 ARG 27 2HD ARG 27 -3.553 -4.950 8.529
189 HE ARG 27 HE ARG 27 -6.245 -5.732 9.004
190 HH11 ARG 27 2HH1 ARG 27 -3.153 -6.075 10.619
191 HH12 ARG 27 1HH1 ARG 27 -3.887 -6.189 12.196
192 HH21 ARG 27 2HH2 ARG 27 -7.114 -5.885 11.043
193 HH22 ARG 27 1HH2 ARG 27 -6.071 -6.083 12.421
194 H HIS 28 H HIS 28 -3.286 -3.265 3.592
195 HA HIS 28 HA HIS 28 -5.598 -1.570 3.947
196 HB2 HIS 28 1HB HIS 28 -3.483 -0.512 3.731
197 HB3 HIS 28 2HB HIS 28 -3.094 -1.352 2.244
198 HD1 HIS 28 1HD HIS 28 -4.985 1.700 3.443
199 HD2 HIS 28 2HD HIS 28 -4.238 -0.500 -0.060
200 HE1 HIS 28 1HE HIS 28 -5.766 3.169 1.528
201 H VAL 29 H VAL 29 -4.450 -3.501 1.137
202 HA VAL 29 HA VAL 29 -6.611 -2.718 -0.590
203 HB VAL 29 HB VAL 29 -4.923 -5.237 -0.730
204 HG11 VAL 29 1HG1 VAL 29 -6.553 -3.832 -2.882
205 HG12 VAL 29 2HG1 VAL 29 -5.515 -5.250 -3.108
206 HG13 VAL 29 3HG1 VAL 29 -6.978 -5.388 -2.129
207 HG21 VAL 29 3HG2 VAL 29 -4.601 -2.535 -2.125
208 HG22 VAL 29 1HG2 VAL 29 -3.539 -3.164 -0.856
209 HG23 VAL 29 2HG2 VAL 29 -3.613 -3.982 -2.411
210 H ILE 30 H ILE 30 -6.362 -5.474 1.733
211 HA ILE 30 HA ILE 30 -8.981 -6.507 1.167
212 HB ILE 30 HB ILE 30 -7.678 -6.517 3.913
213 HG12 ILE 30 1HG1 ILE 30 -5.980 -7.500 2.632
214 HG13 ILE 30 2HG1 ILE 30 -6.848 -8.819 3.350
215 HG21 ILE 30 1HG2 ILE 30 -8.977 -8.623 4.197
216 HG22 ILE 30 2HG2 ILE 30 -10.014 -7.226 3.941
217 HG23 ILE 30 3HG2 ILE 30 -9.725 -8.361 2.608
218 HD11 ILE 30 3HD1 ILE 30 -6.243 -9.353 1.069
219 HD12 ILE 30 1HD1 ILE 30 -8.011 -9.221 1.165
220 HD13 ILE 30 2HD1 ILE 30 -7.045 -7.904 0.450
221 H GLN 31 H GLN 31 -7.941 -3.994 3.504
222 HA GLN 31 HA GLN 31 -10.528 -3.677 4.656
223 HB2 GLN 31 1HB GLN 31 -8.333 -3.233 5.763
224 HB3 GLN 31 2HB GLN 31 -8.106 -1.832 4.720
225 HG2 GLN 31 1HG GLN 31 -8.850 -1.082 6.880
226 HG3 GLN 31 2HG GLN 31 -10.130 -0.765 5.724
227 HE21 GLN 31 1HE2 GLN 31 -11.361 -0.589 7.889
228 HE22 GLN 31 2HE2 GLN 31 -12.027 -2.088 8.520
229 H LYS 32 H LYS 32 -8.865 -1.750 2.146
230 HA LYS 32 HA LYS 32 -11.228 0.086 1.964
231 HB2 LYS 32 1HB LYS 32 -8.353 0.447 1.030
232 HB3 LYS 32 2HB LYS 32 -9.626 1.658 0.938
233 HG2 LYS 32 1HG LYS 32 -8.398 0.529 3.490
234 HG3 LYS 32 2HG LYS 32 -8.127 2.121 2.785
235 HD2 LYS 32 1HD LYS 32 -10.587 2.636 3.117
236 HD3 LYS 32 2HD LYS 32 -10.754 1.077 3.927
237 HE2 LYS 32 1HE LYS 32 -10.544 2.636 5.666
238 HE3 LYS 32 2HE LYS 32 -8.989 1.806 5.584
239 HZ1 LYS 32 3HZ LYS 32 -9.571 4.489 4.429
240 HZ2 LYS 32 1HZ LYS 32 -8.114 3.749 4.370
241 HZ3 LYS 32 2HZ LYS 32 -8.735 4.222 5.800
242 H HIS 33 H HIS 33 -9.676 -2.353 0.071
243 HA HIS 33 HA HIS 33 -11.156 -1.475 -2.369
244 HB2 HIS 33 1HB HIS 33 -8.299 -2.470 -2.292
245 HB3 HIS 33 2HB HIS 33 -9.189 -1.928 -3.709
246 HD1 HIS 33 1HD HIS 33 -10.121 0.878 -3.165
247 HD2 HIS 33 2HD HIS 33 -6.610 -0.716 -1.511
248 HE1 HIS 33 1HE HIS 33 -8.723 2.880 -2.459
249 H SER 34 H SER 34 -12.082 -3.458 -0.550
250 HA SER 34 HA SER 34 -11.376 -6.116 -1.151
251 HB2 SER 34 1HB SER 34 -13.578 -6.684 -0.154
252 HB3 SER 34 2HB SER 34 -12.654 -5.525 0.812
253 HG SER 34 HG SER 34 -14.862 -4.905 0.574
254 H ASN 35 H ASN 35 -13.438 -3.977 -3.021
255 HA ASN 35 HA ASN 35 -14.508 -6.102 -4.735
256 HB2 ASN 35 1HB ASN 35 -15.777 -4.028 -4.184
257 HB3 ASN 35 2HB ASN 35 -14.571 -3.074 -5.051
258 HD21 ASN 35 1HD2 ASN 35 -16.639 -2.426 -6.225
259 HD22 ASN 35 2HD2 ASN 35 -17.113 -3.438 -7.583
260 H ILE 36 H ILE 36 -12.247 -6.960 -4.996
261 HA ILE 36 HA ILE 36 -10.987 -5.906 -7.455
262 HB ILE 36 HB ILE 36 -9.733 -5.188 -5.469
263 HG12 ILE 36 1HG1 ILE 36 -8.206 -7.255 -7.079
264 HG13 ILE 36 2HG1 ILE 36 -8.727 -5.678 -7.683
265 HG21 ILE 36 1HG2 ILE 36 -8.534 -6.731 -4.021
266 HG22 ILE 36 2HG2 ILE 36 -10.248 -7.117 -3.947
267 HG23 ILE 36 3HG2 ILE 36 -9.158 -8.135 -4.912
268 HD11 ILE 36 3HD1 ILE 36 -6.771 -6.172 -5.396
269 HD12 ILE 36 1HD1 ILE 36 -6.402 -5.533 -7.005
270 HD13 ILE 36 2HD1 ILE 36 -7.379 -4.569 -5.879
271 H LEU 37 H LEU 37 -10.185 -7.400 -8.875
272 HA LEU 37 HA LEU 37 -11.178 -10.189 -8.576
273 HB2 LEU 37 1HB LEU 37 -10.569 -8.475 -11.021
274 HB3 LEU 37 2HB LEU 37 -10.939 -10.179 -11.090
275 HG LEU 37 HG LEU 37 -12.844 -8.970 -11.745
276 HD11 LEU 37 1HD1 LEU 37 -14.551 -9.863 -10.279
277 HD12 LEU 37 2HD1 LEU 37 -13.393 -10.019 -8.946
278 HD13 LEU 37 3HD1 LEU 37 -13.218 -11.023 -10.404
279 HD21 LEU 37 3HD2 LEU 37 -12.400 -6.828 -10.535
280 HD22 LEU 37 1HD2 LEU 37 -13.034 -7.587 -9.053
281 HD23 LEU 37 2HD2 LEU 37 -14.079 -7.388 -10.464
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 12.196 23.809 -9.074
2 H2 GLY 1 2H GLY 1 10.585 24.086 -8.955
3 H3 GLY 1 3H GLY 1 11.175 23.189 -10.193
4 HA2 GLY 1 1HA GLY 1 11.235 22.435 -7.341
5 HA3 GLY 1 2HA GLY 1 10.146 21.754 -8.564
6 H SER 2 H SER 2 10.985 19.654 -8.076
7 HA SER 2 HA SER 2 13.388 18.944 -9.639
8 HB2 SER 2 1HB SER 2 14.258 19.326 -7.361
9 HB3 SER 2 2HB SER 2 13.072 18.179 -6.709
10 HG SER 2 HG SER 2 15.217 17.301 -7.136
11 H SER 3 H SER 3 13.432 16.794 -10.315
12 HA SER 3 HA SER 3 10.890 15.286 -10.263
13 HB2 SER 3 1HB SER 3 12.022 13.871 -11.948
14 HB3 SER 3 2HB SER 3 11.959 15.581 -12.406
15 HG SER 3 HG SER 3 14.040 14.655 -12.763
16 H GLY 4 H GLY 4 13.730 15.365 -8.380
17 HA2 GLY 4 1HA GLY 4 14.053 12.534 -7.841
18 HA3 GLY 4 2HA GLY 4 14.759 13.867 -6.936
19 H SER 5 H SER 5 13.542 11.369 -6.002
20 HA SER 5 HA SER 5 11.622 12.456 -3.998
21 HB2 SER 5 1HB SER 5 11.217 9.902 -5.606
22 HB3 SER 5 2HB SER 5 10.265 10.384 -4.193
23 HG SER 5 HG SER 5 9.259 10.959 -6.186
24 H SER 6 H SER 6 11.745 11.532 -1.979
25 HA SER 6 HA SER 6 14.118 9.848 -1.412
26 HB2 SER 6 1HB SER 6 13.815 10.686 0.891
27 HB3 SER 6 2HB SER 6 14.005 11.980 -0.304
28 HG SER 6 HG SER 6 12.277 12.392 1.168
29 H GLY 7 H GLY 7 10.747 9.356 -1.651
30 HA2 GLY 7 1HA GLY 7 10.285 7.570 0.536
31 HA3 GLY 7 2HA GLY 7 9.294 7.717 -0.910
32 H HIS 8 H HIS 8 10.271 5.390 0.717
33 HA HIS 8 HA HIS 8 11.246 3.663 -1.515
34 HB2 HIS 8 1HB HIS 8 12.753 2.544 0.028
35 HB3 HIS 8 2HB HIS 8 13.124 4.259 -0.084
36 HD1 HIS 8 1HD HIS 8 11.718 1.703 2.422
37 HD2 HIS 8 2HD HIS 8 12.805 5.757 2.119
38 HE1 HIS 8 1HE HIS 8 11.722 2.620 4.807
39 H LEU 9 H LEU 9 8.599 4.166 0.094
40 HA LEU 9 HA LEU 9 7.951 1.523 1.212
41 HB2 LEU 9 1HB LEU 9 6.479 4.165 0.902
42 HB3 LEU 9 2HB LEU 9 5.637 2.692 1.343
43 HG LEU 9 HG LEU 9 6.983 2.412 3.352
44 HD11 LEU 9 1HD1 LEU 9 8.258 5.083 2.625
45 HD12 LEU 9 2HD1 LEU 9 9.090 3.516 2.810
46 HD13 LEU 9 3HD1 LEU 9 8.368 4.294 4.212
47 HD21 LEU 9 3HD2 LEU 9 4.868 3.672 3.431
48 HD22 LEU 9 1HD2 LEU 9 5.739 5.177 3.077
49 HD23 LEU 9 2HD2 LEU 9 6.026 4.318 4.603
50 H TYR 10 H TYR 10 6.051 0.324 0.511
51 HA TYR 10 HA TYR 10 5.784 0.094 -2.431
52 HB2 TYR 10 1HB TYR 10 4.522 -1.503 -0.169
53 HB3 TYR 10 2HB TYR 10 4.366 -1.846 -1.888
54 HD1 TYR 10 2HD TYR 10 6.342 -2.596 -3.231
55 HD2 TYR 10 1HD TYR 10 6.524 -2.119 1.050
56 HE1 TYR 10 2HE TYR 10 8.438 -3.941 -3.175
57 HE2 TYR 10 1HE TYR 10 8.635 -3.474 1.102
58 HH TYR 10 HH TYR 10 10.096 -4.834 -1.865
59 H TYR 11 H TYR 11 4.145 1.043 -3.543
60 HA TYR 11 HA TYR 11 2.077 2.556 -2.031
61 HB2 TYR 11 1HB TYR 11 3.315 2.876 -4.764
62 HB3 TYR 11 2HB TYR 11 1.765 3.600 -4.384
63 HD1 TYR 11 1HD TYR 11 5.344 3.523 -3.269
64 HD2 TYR 11 2HD TYR 11 1.571 5.620 -3.173
65 HE1 TYR 11 1HE TYR 11 6.449 5.458 -2.170
66 HE2 TYR 11 2HE TYR 11 2.687 7.566 -2.089
67 HH TYR 11 HH TYR 11 6.184 7.571 -1.308
68 H CYS 12 H CYS 12 -0.053 2.510 -2.464
69 HA CYS 12 HA CYS 12 -1.312 0.085 -3.263
70 HB2 CYS 12 1HB CYS 12 -2.118 1.717 -1.603
71 HB3 CYS 12 2HB CYS 12 -2.363 2.910 -2.886
72 H SER 13 H SER 13 -2.556 -0.429 -5.003
73 HA SER 13 HA SER 13 -1.845 0.747 -7.610
74 HB2 SER 13 1HB SER 13 -3.678 -1.579 -6.923
75 HB3 SER 13 2HB SER 13 -3.128 -1.122 -8.545
76 HG SER 13 HG SER 13 -1.850 -2.803 -7.655
77 H GLN 14 H GLN 14 -4.297 1.325 -5.308
78 HA GLN 14 HA GLN 14 -6.205 2.369 -7.385
79 HB2 GLN 14 1HB GLN 14 -6.743 0.791 -4.845
80 HB3 GLN 14 2HB GLN 14 -7.998 1.631 -5.766
81 HG2 GLN 14 1HG GLN 14 -7.482 0.292 -7.770
82 HG3 GLN 14 2HG GLN 14 -6.195 -0.552 -6.906
83 HE21 GLN 14 1HE2 GLN 14 -6.743 -2.243 -5.435
84 HE22 GLN 14 2HE2 GLN 14 -8.399 -2.813 -5.300
85 H CYS 15 H CYS 15 -4.384 3.294 -4.613
86 HA CYS 15 HA CYS 15 -5.537 5.964 -4.782
87 HB2 CYS 15 1HB CYS 15 -6.144 6.213 -2.478
88 HB3 CYS 15 2HB CYS 15 -7.012 4.834 -3.134
89 H HIS 16 H HIS 16 -4.346 7.191 -2.679
90 HA HIS 16 HA HIS 16 -1.546 7.234 -3.554
91 HB2 HIS 16 1HB HIS 16 -3.223 9.213 -3.244
92 HB3 HIS 16 2HB HIS 16 -2.788 9.113 -1.541
93 HD1 HIS 16 1HD HIS 16 0.306 8.890 -1.645
94 HD2 HIS 16 2HD HIS 16 -1.998 11.213 -4.282
95 HE1 HIS 16 1HE HIS 16 1.876 10.702 -2.561
96 H TYR 17 H TYR 17 -3.042 5.427 -1.200
97 HA TYR 17 HA TYR 17 -1.413 5.773 1.118
98 HB2 TYR 17 1HB TYR 17 -3.579 4.619 1.070
99 HB3 TYR 17 2HB TYR 17 -2.898 3.352 0.056
100 HD1 TYR 17 1HD TYR 17 -3.064 4.729 3.479
101 HD2 TYR 17 2HD TYR 17 -1.447 1.620 0.964
102 HE1 TYR 17 1HE TYR 17 -2.492 3.381 5.502
103 HE2 TYR 17 2HE TYR 17 -0.876 0.279 2.982
104 HH TYR 17 HH TYR 17 -0.862 0.203 5.265
105 H SER 18 H SER 18 0.336 4.579 1.952
106 HA SER 18 HA SER 18 1.679 2.595 0.289
107 HB2 SER 18 1HB SER 18 3.862 3.666 0.325
108 HB3 SER 18 2HB SER 18 2.676 4.693 -0.486
109 HG SER 18 HG SER 18 3.895 5.950 0.933
110 H SER 19 H SER 19 3.326 1.380 1.376
111 HA SER 19 HA SER 19 3.358 1.486 4.357
112 HB2 SER 19 1HB SER 19 2.093 -0.615 2.617
113 HB3 SER 19 2HB SER 19 2.992 -1.159 4.037
114 HG SER 19 HG SER 19 1.091 0.928 4.209
115 H ILE 20 H ILE 20 4.910 0.253 5.394
116 HA ILE 20 HA ILE 20 7.332 -0.476 3.849
117 HB ILE 20 HB ILE 20 6.850 -0.598 6.861
118 HG12 ILE 20 1HG1 ILE 20 8.643 1.276 6.836
119 HG13 ILE 20 2HG1 ILE 20 8.219 1.529 5.152
120 HG21 ILE 20 1HG2 ILE 20 8.565 -2.196 6.073
121 HG22 ILE 20 2HG2 ILE 20 9.395 -0.891 5.196
122 HG23 ILE 20 3HG2 ILE 20 9.311 -0.887 6.969
123 HD11 ILE 20 3HD1 ILE 20 5.933 2.203 5.844
124 HD12 ILE 20 1HD1 ILE 20 6.288 1.725 7.520
125 HD13 ILE 20 2HD1 ILE 20 7.131 3.096 6.778
126 H THR 21 H THR 21 7.735 -2.544 3.313
127 HA THR 21 HA THR 21 7.391 -4.684 2.734
128 HB THR 21 HB THR 21 6.654 -6.386 4.103
129 HG1 THR 21 1HG THR 21 5.316 -4.400 5.574
130 HG21 THR 21 3HG2 THR 21 8.725 -5.260 4.951
131 HG22 THR 21 1HG2 THR 21 7.803 -6.140 6.183
132 HG23 THR 21 2HG2 THR 21 7.711 -4.373 6.115
133 H LYS 22 H LYS 22 5.947 -6.123 1.685
134 HA LYS 22 HA LYS 22 3.557 -4.842 0.609
135 HB2 LYS 22 1HB LYS 22 4.687 -7.648 0.252
136 HB3 LYS 22 2HB LYS 22 3.286 -7.000 -0.613
137 HG2 LYS 22 1HG LYS 22 4.698 -5.162 -1.533
138 HG3 LYS 22 2HG LYS 22 6.117 -5.868 -0.737
139 HD2 LYS 22 1HD LYS 22 5.796 -7.967 -2.032
140 HD3 LYS 22 2HD LYS 22 4.382 -7.247 -2.837
141 HE2 LYS 22 1HE LYS 22 5.833 -5.424 -3.723
142 HE3 LYS 22 2HE LYS 22 7.234 -6.162 -2.935
143 HZ1 LYS 22 3HZ LYS 22 6.900 -8.133 -4.335
144 HZ2 LYS 22 1HZ LYS 22 7.088 -6.812 -5.273
145 HZ3 LYS 22 2HZ LYS 22 5.603 -7.453 -5.062
146 H ASN 23 H ASN 23 4.089 -7.034 3.292
147 HA ASN 23 HA ASN 23 1.466 -8.146 3.488
148 HB2 ASN 23 1HB ASN 23 3.541 -7.521 5.647
149 HB3 ASN 23 2HB ASN 23 2.121 -8.538 5.876
150 HD21 ASN 23 1HD2 ASN 23 2.031 -10.630 4.786
151 HD22 ASN 23 2HD2 ASN 23 3.515 -11.340 4.170
152 H CYS 24 H CYS 24 2.811 -5.135 4.914
153 HA CYS 24 HA CYS 24 0.361 -4.314 6.177
154 HB2 CYS 24 1HB CYS 24 2.878 -2.835 5.350
155 HB3 CYS 24 2HB CYS 24 1.570 -2.095 6.290
156 HG CYS 24 HG CYS 24 3.661 -2.818 7.807
157 H LEU 25 H LEU 25 1.532 -3.914 2.845
158 HA LEU 25 HA LEU 25 -0.503 -2.062 2.141
159 HB2 LEU 25 1HB LEU 25 1.694 -2.217 0.991
160 HB3 LEU 25 2HB LEU 25 1.242 -3.807 0.374
161 HG LEU 25 HG LEU 25 -0.635 -2.795 -0.898
162 HD11 LEU 25 1HD1 LEU 25 0.462 -0.153 0.175
163 HD12 LEU 25 2HD1 LEU 25 -1.164 -0.830 0.468
164 HD13 LEU 25 3HD1 LEU 25 -0.711 -0.315 -1.148
165 HD21 LEU 25 3HD2 LEU 25 1.628 -3.045 -1.901
166 HD22 LEU 25 1HD2 LEU 25 2.008 -1.382 -1.395
167 HD23 LEU 25 2HD2 LEU 25 0.716 -1.689 -2.576
168 H LYS 26 H LYS 26 -0.167 -5.617 1.783
169 HA LYS 26 HA LYS 26 -2.548 -6.101 0.306
170 HB2 LYS 26 1HB LYS 26 -0.982 -7.785 2.299
171 HB3 LYS 26 2HB LYS 26 -2.411 -8.415 1.502
172 HG2 LYS 26 1HG LYS 26 0.038 -7.353 0.024
173 HG3 LYS 26 2HG LYS 26 -0.228 -9.045 0.424
174 HD2 LYS 26 1HD LYS 26 -1.977 -7.360 -1.425
175 HD3 LYS 26 2HD LYS 26 -0.769 -8.550 -1.911
176 HE2 LYS 26 1HE LYS 26 -2.057 -10.326 -0.695
177 HE3 LYS 26 2HE LYS 26 -3.311 -9.134 -0.324
178 HZ1 LYS 26 3HZ LYS 26 -3.866 -10.414 -2.310
179 HZ2 LYS 26 1HZ LYS 26 -2.493 -9.958 -3.062
180 HZ3 LYS 26 2HZ LYS 26 -3.649 -8.851 -2.728
181 H ARG 27 H ARG 27 -2.200 -5.949 3.877
182 HA ARG 27 HA ARG 27 -4.993 -6.423 4.372
183 HB2 ARG 27 1HB ARG 27 -4.626 -5.681 6.621
184 HB3 ARG 27 2HB ARG 27 -3.290 -6.708 6.102
185 HG2 ARG 27 1HG ARG 27 -1.906 -4.690 5.702
186 HG3 ARG 27 2HG ARG 27 -3.242 -3.659 6.261
187 HD2 ARG 27 1HD ARG 27 -3.153 -4.860 8.466
188 HD3 ARG 27 2HD ARG 27 -1.724 -5.738 7.877
189 HE ARG 27 HE ARG 27 -1.440 -2.855 7.616
190 HH11 ARG 27 2HH1 ARG 27 -1.152 -5.398 10.013
191 HH12 ARG 27 1HH1 ARG 27 -0.071 -4.460 11.006
192 HH21 ARG 27 2HH2 ARG 27 -0.065 -1.715 8.935
193 HH22 ARG 27 1HH2 ARG 27 0.527 -2.435 10.402
194 H HIS 28 H HIS 28 -3.336 -3.379 3.570
195 HA HIS 28 HA HIS 28 -5.649 -1.689 3.981
196 HB2 HIS 28 1HB HIS 28 -3.588 -0.576 3.829
197 HB3 HIS 28 2HB HIS 28 -3.094 -1.427 2.376
198 HD1 HIS 28 1HD HIS 28 -5.217 1.546 3.434
199 HD2 HIS 28 2HD HIS 28 -4.058 -0.583 0.002
200 HE1 HIS 28 1HE HIS 28 -5.964 2.956 1.464
201 H VAL 29 H VAL 29 -4.423 -3.397 1.028
202 HA VAL 29 HA VAL 29 -6.576 -2.539 -0.651
203 HB VAL 29 HB VAL 29 -4.847 -5.036 -0.861
204 HG11 VAL 29 1HG1 VAL 29 -5.435 -4.955 -3.284
205 HG12 VAL 29 2HG1 VAL 29 -6.839 -5.304 -2.279
206 HG13 VAL 29 3HG1 VAL 29 -6.611 -3.670 -2.941
207 HG21 VAL 29 3HG2 VAL 29 -3.546 -2.904 -0.942
208 HG22 VAL 29 1HG2 VAL 29 -3.563 -3.715 -2.505
209 HG23 VAL 29 2HG2 VAL 29 -4.612 -2.309 -2.226
210 H ILE 30 H ILE 30 -6.324 -5.409 1.460
211 HA ILE 30 HA ILE 30 -8.888 -6.520 0.828
212 HB ILE 30 HB ILE 30 -7.134 -6.705 3.290
213 HG12 ILE 30 1HG1 ILE 30 -7.762 -8.795 1.151
214 HG13 ILE 30 2HG1 ILE 30 -6.403 -7.695 1.011
215 HG21 ILE 30 1HG2 ILE 30 -9.667 -8.294 2.666
216 HG22 ILE 30 2HG2 ILE 30 -8.537 -8.644 3.989
217 HG23 ILE 30 3HG2 ILE 30 -9.457 -7.152 4.016
218 HD11 ILE 30 3HD1 ILE 30 -5.474 -8.563 3.166
219 HD12 ILE 30 1HD1 ILE 30 -6.773 -9.782 3.192
220 HD13 ILE 30 2HD1 ILE 30 -5.589 -9.775 1.878
221 H GLN 31 H GLN 31 -7.972 -4.262 3.508
222 HA GLN 31 HA GLN 31 -10.678 -4.136 4.480
223 HB2 GLN 31 1HB GLN 31 -8.179 -2.516 5.069
224 HB3 GLN 31 2HB GLN 31 -9.709 -2.286 5.925
225 HG2 GLN 31 1HG GLN 31 -9.700 -4.565 6.755
226 HG3 GLN 31 2HG GLN 31 -8.282 -4.979 5.804
227 HE21 GLN 31 1HE2 GLN 31 -7.780 -5.657 8.228
228 HE22 GLN 31 2HE2 GLN 31 -6.891 -4.437 9.130
229 H LYS 32 H LYS 32 -8.903 -1.986 2.265
230 HA LYS 32 HA LYS 32 -11.121 0.008 2.400
231 HB2 LYS 32 1HB LYS 32 -8.315 0.291 1.266
232 HB3 LYS 32 2HB LYS 32 -9.495 1.574 1.450
233 HG2 LYS 32 1HG LYS 32 -8.064 0.063 3.667
234 HG3 LYS 32 2HG LYS 32 -7.856 1.743 3.210
235 HD2 LYS 32 1HD LYS 32 -10.292 0.500 4.541
236 HD3 LYS 32 2HD LYS 32 -9.121 1.575 5.285
237 HE2 LYS 32 1HE LYS 32 -10.977 2.362 2.986
238 HE3 LYS 32 2HE LYS 32 -11.323 2.634 4.693
239 HZ1 LYS 32 3HZ LYS 32 -9.018 3.814 3.237
240 HZ2 LYS 32 1HZ LYS 32 -9.334 4.030 4.829
241 HZ3 LYS 32 2HZ LYS 32 -10.362 4.608 3.705
242 H HIS 33 H HIS 33 -9.794 -2.243 0.071
243 HA HIS 33 HA HIS 33 -11.458 -0.920 -2.057
244 HB2 HIS 33 1HB HIS 33 -8.797 -2.329 -2.406
245 HB3 HIS 33 2HB HIS 33 -9.754 -1.539 -3.657
246 HD1 HIS 33 1HD HIS 33 -10.326 1.269 -2.399
247 HD2 HIS 33 2HD HIS 33 -6.700 -0.832 -2.125
248 HE1 HIS 33 1HE HIS 33 -8.549 3.021 -1.948
249 H SER 34 H SER 34 -10.625 -4.053 -0.625
250 HA SER 34 HA SER 34 -11.977 -5.554 -2.748
251 HB2 SER 34 1HB SER 34 -11.041 -6.505 -0.026
252 HB3 SER 34 2HB SER 34 -11.585 -7.516 -1.369
253 HG SER 34 HG SER 34 -9.368 -5.721 -1.433
254 H ASN 35 H ASN 35 -13.921 -6.687 -2.614
255 HA ASN 35 HA ASN 35 -15.984 -5.248 -1.156
256 HB2 ASN 35 1HB ASN 35 -16.075 -5.832 -3.594
257 HB3 ASN 35 2HB ASN 35 -16.240 -7.532 -3.147
258 HD21 ASN 35 1HD2 ASN 35 -18.276 -7.272 -4.458
259 HD22 ASN 35 2HD2 ASN 35 -19.694 -6.646 -3.629
260 H ILE 36 H ILE 36 -14.747 -6.244 0.852
261 HA ILE 36 HA ILE 36 -16.216 -8.682 1.780
262 HB ILE 36 HB ILE 36 -14.321 -9.121 3.285
263 HG12 ILE 36 1HG1 ILE 36 -12.099 -8.190 2.799
264 HG13 ILE 36 2HG1 ILE 36 -12.796 -6.993 1.715
265 HG21 ILE 36 1HG2 ILE 36 -14.597 -10.232 1.093
266 HG22 ILE 36 2HG2 ILE 36 -13.564 -8.998 0.339
267 HG23 ILE 36 3HG2 ILE 36 -12.901 -10.088 1.571
268 HD11 ILE 36 3HD1 ILE 36 -13.857 -5.849 3.570
269 HD12 ILE 36 1HD1 ILE 36 -13.455 -7.180 4.687
270 HD13 ILE 36 2HD1 ILE 36 -12.175 -6.157 4.014
271 H LEU 37 H LEU 37 -16.528 -5.513 2.117
272 HA LEU 37 HA LEU 37 -16.855 -5.295 5.031
273 HB2 LEU 37 1HB LEU 37 -17.436 -3.338 2.769
274 HB3 LEU 37 2HB LEU 37 -17.549 -2.968 4.482
275 HG LEU 37 HG LEU 37 -14.977 -3.712 3.015
276 HD11 LEU 37 1HD1 LEU 37 -15.979 -1.052 4.112
277 HD12 LEU 37 2HD1 LEU 37 -15.873 -1.504 2.394
278 HD13 LEU 37 3HD1 LEU 37 -14.396 -1.354 3.359
279 HD21 LEU 37 3HD2 LEU 37 -15.449 -2.788 5.888
280 HD22 LEU 37 1HD2 LEU 37 -13.862 -2.957 5.104
281 HD23 LEU 37 2HD2 LEU 37 -14.857 -4.387 5.384
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 12.700 18.125 3.700
2 H2 GLY 1 2H GLY 1 11.384 18.001 2.737
3 H3 GLY 1 3H GLY 1 11.668 19.390 3.560
4 HA2 GLY 1 1HA GLY 1 12.233 19.680 1.242
5 HA3 GLY 1 2HA GLY 1 13.656 19.829 2.290
6 H SER 2 H SER 2 13.809 19.244 -0.423
7 HA SER 2 HA SER 2 14.749 17.938 -1.978
8 HB2 SER 2 1HB SER 2 15.906 16.341 0.322
9 HB3 SER 2 2HB SER 2 16.444 16.295 -1.362
10 HG SER 2 HG SER 2 17.704 17.733 -0.084
11 H SER 3 H SER 3 14.960 15.787 -3.014
12 HA SER 3 HA SER 3 12.360 14.390 -2.905
13 HB2 SER 3 1HB SER 3 13.414 15.307 -5.018
14 HB3 SER 3 2HB SER 3 14.610 14.002 -4.896
15 HG SER 3 HG SER 3 12.766 13.473 -6.211
16 H GLY 4 H GLY 4 12.532 11.975 -3.520
17 HA2 GLY 4 1HA GLY 4 13.252 9.798 -3.099
18 HA3 GLY 4 2HA GLY 4 14.632 10.402 -2.195
19 H SER 5 H SER 5 13.555 8.264 -1.206
20 HA SER 5 HA SER 5 12.227 9.013 1.323
21 HB2 SER 5 1HB SER 5 10.482 7.307 1.045
22 HB3 SER 5 2HB SER 5 10.355 8.571 -0.184
23 HG SER 5 HG SER 5 10.129 6.518 -1.126
24 H SER 6 H SER 6 12.031 7.040 2.784
25 HA SER 6 HA SER 6 14.342 5.177 2.470
26 HB2 SER 6 1HB SER 6 14.830 5.476 4.853
27 HB3 SER 6 2HB SER 6 15.012 6.978 3.937
28 HG SER 6 HG SER 6 13.875 7.300 5.909
29 H GLY 7 H GLY 7 14.276 3.259 3.762
30 HA2 GLY 7 1HA GLY 7 13.274 1.391 4.707
31 HA3 GLY 7 2HA GLY 7 11.760 2.271 4.891
32 H HIS 8 H HIS 8 11.544 -0.262 4.186
33 HA HIS 8 HA HIS 8 11.551 -0.713 1.305
34 HB2 HIS 8 1HB HIS 8 10.558 -2.449 3.594
35 HB3 HIS 8 2HB HIS 8 10.762 -2.957 1.916
36 HD1 HIS 8 1HD HIS 8 12.598 -3.185 5.037
37 HD2 HIS 8 2HD HIS 8 13.530 -2.402 1.007
38 HE1 HIS 8 1HE HIS 8 15.092 -3.647 4.778
39 H LEU 9 H LEU 9 10.086 1.304 1.158
40 HA LEU 9 HA LEU 9 7.281 1.049 1.784
41 HB2 LEU 9 1HB LEU 9 8.872 2.959 0.046
42 HB3 LEU 9 2HB LEU 9 7.132 3.100 0.241
43 HG LEU 9 HG LEU 9 9.045 3.155 2.610
44 HD11 LEU 9 1HD1 LEU 9 9.542 5.022 1.089
45 HD12 LEU 9 2HD1 LEU 9 8.764 5.601 2.569
46 HD13 LEU 9 3HD1 LEU 9 7.824 5.481 1.063
47 HD21 LEU 9 3HD2 LEU 9 7.130 4.239 3.747
48 HD22 LEU 9 1HD2 LEU 9 6.684 2.631 3.174
49 HD23 LEU 9 2HD2 LEU 9 6.143 4.064 2.278
50 H TYR 10 H TYR 10 5.590 0.457 0.681
51 HA TYR 10 HA TYR 10 5.720 -0.119 -2.242
52 HB2 TYR 10 1HB TYR 10 4.250 -1.705 -0.100
53 HB3 TYR 10 2HB TYR 10 4.027 -1.901 -1.832
54 HD1 TYR 10 1HD TYR 10 6.441 -2.353 0.953
55 HD2 TYR 10 2HD TYR 10 5.599 -3.113 -3.206
56 HE1 TYR 10 1HE TYR 10 8.345 -3.969 0.859
57 HE2 TYR 10 2HE TYR 10 7.478 -4.743 -3.292
58 HH TYR 10 HH TYR 10 9.181 -5.753 -2.132
59 H TYR 11 H TYR 11 3.797 0.388 -3.385
60 HA TYR 11 HA TYR 11 2.099 2.474 -2.064
61 HB2 TYR 11 1HB TYR 11 3.383 2.477 -4.818
62 HB3 TYR 11 2HB TYR 11 2.239 3.671 -4.234
63 HD1 TYR 11 1HD TYR 11 5.670 2.263 -3.640
64 HD2 TYR 11 2HD TYR 11 2.953 5.546 -2.956
65 HE1 TYR 11 1HE TYR 11 7.525 3.597 -2.651
66 HE2 TYR 11 2HE TYR 11 4.816 6.884 -1.995
67 HH TYR 11 HH TYR 11 7.040 6.941 -1.457
68 H CYS 12 H CYS 12 -0.031 2.614 -2.600
69 HA CYS 12 HA CYS 12 -1.337 0.254 -3.506
70 HB2 CYS 12 1HB CYS 12 -2.126 1.843 -1.780
71 HB3 CYS 12 2HB CYS 12 -2.439 3.043 -3.045
72 H SER 13 H SER 13 -2.822 -0.020 -5.129
73 HA SER 13 HA SER 13 -2.009 1.047 -7.786
74 HB2 SER 13 1HB SER 13 -2.113 -1.416 -7.308
75 HB3 SER 13 2HB SER 13 -3.868 -1.261 -7.107
76 HG SER 13 HG SER 13 -3.227 -1.901 -9.243
77 H GLN 14 H GLN 14 -4.622 1.298 -5.476
78 HA GLN 14 HA GLN 14 -6.442 2.505 -7.537
79 HB2 GLN 14 1HB GLN 14 -7.142 1.026 -4.982
80 HB3 GLN 14 2HB GLN 14 -8.287 1.794 -6.089
81 HG2 GLN 14 1HG GLN 14 -7.425 0.284 -7.929
82 HG3 GLN 14 2HG GLN 14 -6.454 -0.558 -6.718
83 HE21 GLN 14 1HE2 GLN 14 -7.795 -2.440 -7.613
84 HE22 GLN 14 2HE2 GLN 14 -9.354 -2.710 -6.845
85 H CYS 15 H CYS 15 -4.615 3.369 -4.772
86 HA CYS 15 HA CYS 15 -5.803 6.038 -4.817
87 HB2 CYS 15 1HB CYS 15 -6.325 6.185 -2.493
88 HB3 CYS 15 2HB CYS 15 -7.177 4.800 -3.150
89 H HIS 16 H HIS 16 -4.547 7.225 -2.760
90 HA HIS 16 HA HIS 16 -1.764 7.302 -3.718
91 HB2 HIS 16 1HB HIS 16 -3.276 9.151 -1.841
92 HB3 HIS 16 2HB HIS 16 -1.674 9.442 -2.515
93 HD1 HIS 16 1HD HIS 16 -1.653 9.650 -5.351
94 HD2 HIS 16 2HD HIS 16 -5.296 10.033 -3.277
95 HE1 HIS 16 1HE HIS 16 -3.281 10.759 -6.969
96 H TYR 17 H TYR 17 -3.119 5.426 -1.388
97 HA TYR 17 HA TYR 17 -1.541 5.888 0.936
98 HB2 TYR 17 1HB TYR 17 -3.623 4.611 0.903
99 HB3 TYR 17 2HB TYR 17 -2.878 3.378 -0.105
100 HD1 TYR 17 1HD TYR 17 -3.071 4.792 3.307
101 HD2 TYR 17 2HD TYR 17 -1.353 1.714 0.819
102 HE1 TYR 17 1HE TYR 17 -2.411 3.516 5.339
103 HE2 TYR 17 2HE TYR 17 -0.674 0.446 2.858
104 HH TYR 17 HH TYR 17 -1.424 1.627 6.162
105 H SER 18 H SER 18 0.268 4.904 1.791
106 HA SER 18 HA SER 18 1.690 2.829 0.319
107 HB2 SER 18 1HB SER 18 3.865 3.933 0.370
108 HB3 SER 18 2HB SER 18 2.704 4.853 -0.601
109 HG SER 18 HG SER 18 3.901 6.224 0.783
110 H SER 19 H SER 19 3.142 1.626 1.560
111 HA SER 19 HA SER 19 3.428 2.170 4.453
112 HB2 SER 19 1HB SER 19 2.574 -0.078 5.067
113 HB3 SER 19 2HB SER 19 1.320 0.983 4.416
114 HG SER 19 HG SER 19 2.732 -0.932 2.843
115 H ILE 20 H ILE 20 5.078 0.930 5.483
116 HA ILE 20 HA ILE 20 7.084 -0.214 3.691
117 HB ILE 20 HB ILE 20 8.456 -0.636 5.572
118 HG12 ILE 20 1HG1 ILE 20 6.984 -1.280 7.352
119 HG13 ILE 20 2HG1 ILE 20 8.019 0.039 7.842
120 HG21 ILE 20 1HG2 ILE 20 7.322 2.180 5.642
121 HG22 ILE 20 2HG2 ILE 20 8.905 1.667 6.251
122 HG23 ILE 20 3HG2 ILE 20 8.546 1.542 4.524
123 HD11 ILE 20 3HD1 ILE 20 5.847 0.387 8.792
124 HD12 ILE 20 1HD1 ILE 20 6.079 1.629 7.553
125 HD13 ILE 20 2HD1 ILE 20 5.044 0.213 7.231
126 H THR 21 H THR 21 7.553 -2.263 3.335
127 HA THR 21 HA THR 21 7.303 -4.456 2.986
128 HB THR 21 HB THR 21 5.961 -4.680 5.692
129 HG1 THR 21 1HG THR 21 8.050 -3.830 5.792
130 HG21 THR 21 3HG2 THR 21 6.842 -7.009 5.602
131 HG22 THR 21 1HG2 THR 21 7.294 -6.761 3.901
132 HG23 THR 21 2HG2 THR 21 5.585 -6.719 4.401
133 H LYS 22 H LYS 22 6.081 -5.513 1.587
134 HA LYS 22 HA LYS 22 3.602 -4.447 0.764
135 HB2 LYS 22 1HB LYS 22 3.563 -6.239 -0.887
136 HB3 LYS 22 2HB LYS 22 5.146 -5.482 -0.764
137 HG2 LYS 22 1HG LYS 22 5.969 -7.396 0.603
138 HG3 LYS 22 2HG LYS 22 4.375 -8.168 0.460
139 HD2 LYS 22 1HD LYS 22 4.633 -8.233 -2.009
140 HD3 LYS 22 2HD LYS 22 6.220 -7.444 -1.864
141 HE2 LYS 22 1HE LYS 22 7.037 -9.349 -0.488
142 HE3 LYS 22 2HE LYS 22 5.460 -10.134 -0.636
143 HZ1 LYS 22 3HZ LYS 22 5.817 -10.244 -3.047
144 HZ2 LYS 22 1HZ LYS 22 7.034 -10.998 -2.269
145 HZ3 LYS 22 2HZ LYS 22 7.274 -9.518 -2.910
146 H ASN 23 H ASN 23 4.050 -6.906 3.169
147 HA ASN 23 HA ASN 23 1.406 -8.041 3.102
148 HB2 ASN 23 1HB ASN 23 3.339 -9.024 4.315
149 HB3 ASN 23 2HB ASN 23 3.344 -7.654 5.432
150 HD21 ASN 23 1HD2 ASN 23 1.496 -10.531 4.398
151 HD22 ASN 23 2HD2 ASN 23 0.519 -10.583 5.855
152 H CYS 24 H CYS 24 2.665 -5.019 4.575
153 HA CYS 24 HA CYS 24 0.223 -4.307 5.965
154 HB2 CYS 24 1HB CYS 24 2.526 -2.620 4.894
155 HB3 CYS 24 2HB CYS 24 1.269 -2.045 5.997
156 HG CYS 24 HG CYS 24 3.853 -2.725 6.922
157 H LEU 25 H LEU 25 1.519 -3.548 2.690
158 HA LEU 25 HA LEU 25 -0.679 -2.025 1.893
159 HB2 LEU 25 1HB LEU 25 1.512 -2.006 0.758
160 HB3 LEU 25 2HB LEU 25 1.225 -3.651 0.172
161 HG LEU 25 HG LEU 25 -0.742 -2.848 -1.129
162 HD11 LEU 25 1HD1 LEU 25 -1.064 -0.412 -1.446
163 HD12 LEU 25 2HD1 LEU 25 0.128 -0.082 -0.171
164 HD13 LEU 25 3HD1 LEU 25 -1.417 -0.883 0.205
165 HD21 LEU 25 3HD2 LEU 25 0.500 -1.681 -2.841
166 HD22 LEU 25 1HD2 LEU 25 1.533 -2.930 -2.129
167 HD23 LEU 25 2HD2 LEU 25 1.761 -1.223 -1.676
168 H LYS 26 H LYS 26 -0.116 -5.562 1.554
169 HA LYS 26 HA LYS 26 -2.555 -6.184 0.213
170 HB2 LYS 26 1HB LYS 26 -0.676 -7.758 0.477
171 HB3 LYS 26 2HB LYS 26 -0.955 -7.835 2.214
172 HG2 LYS 26 1HG LYS 26 -1.823 -9.808 1.098
173 HG3 LYS 26 2HG LYS 26 -3.130 -8.914 1.867
174 HD2 LYS 26 1HD LYS 26 -3.882 -8.040 -0.304
175 HD3 LYS 26 2HD LYS 26 -2.459 -8.748 -1.107
176 HE2 LYS 26 1HE LYS 26 -3.213 -11.015 -0.400
177 HE3 LYS 26 2HE LYS 26 -4.651 -10.307 0.342
178 HZ1 LYS 26 3HZ LYS 26 -5.399 -9.596 -1.846
179 HZ2 LYS 26 1HZ LYS 26 -5.047 -11.178 -1.919
180 HZ3 LYS 26 2HZ LYS 26 -4.004 -10.099 -2.553
181 H ARG 27 H ARG 27 -1.939 -5.894 3.748
182 HA ARG 27 HA ARG 27 -4.697 -6.345 4.499
183 HB2 ARG 27 1HB ARG 27 -2.315 -5.107 5.914
184 HB3 ARG 27 2HB ARG 27 -3.928 -5.131 6.648
185 HG2 ARG 27 1HG ARG 27 -4.067 -7.566 6.392
186 HG3 ARG 27 2HG ARG 27 -2.467 -7.621 5.648
187 HD2 ARG 27 1HD ARG 27 -2.961 -6.532 8.456
188 HD3 ARG 27 2HD ARG 27 -2.660 -8.233 8.125
189 HE ARG 27 HE ARG 27 -0.450 -7.756 7.338
190 HH11 ARG 27 2HH1 ARG 27 -1.850 -4.885 8.816
191 HH12 ARG 27 1HH1 ARG 27 -0.275 -4.201 9.107
192 HH21 ARG 27 2HH2 ARG 27 1.406 -6.889 7.749
193 HH22 ARG 27 1HH2 ARG 27 1.559 -5.281 8.436
194 H HIS 28 H HIS 28 -3.095 -3.341 3.461
195 HA HIS 28 HA HIS 28 -5.414 -1.665 3.944
196 HB2 HIS 28 1HB HIS 28 -3.362 -0.555 3.598
197 HB3 HIS 28 2HB HIS 28 -2.991 -1.449 2.139
198 HD1 HIS 28 1HD HIS 28 -4.967 1.587 3.269
199 HD2 HIS 28 2HD HIS 28 -4.153 -0.673 -0.177
200 HE1 HIS 28 1HE HIS 28 -5.808 2.973 1.323
201 H VAL 29 H VAL 29 -4.332 -3.482 1.026
202 HA VAL 29 HA VAL 29 -6.567 -2.754 -0.606
203 HB VAL 29 HB VAL 29 -4.571 -5.041 -0.751
204 HG11 VAL 29 1HG1 VAL 29 -6.446 -5.797 -2.039
205 HG12 VAL 29 2HG1 VAL 29 -6.649 -4.195 -2.805
206 HG13 VAL 29 3HG1 VAL 29 -5.232 -5.209 -3.167
207 HG21 VAL 29 3HG2 VAL 29 -3.552 -3.696 -2.527
208 HG22 VAL 29 1HG2 VAL 29 -4.825 -2.469 -2.383
209 HG23 VAL 29 2HG2 VAL 29 -3.664 -2.719 -1.068
210 H ILE 30 H ILE 30 -6.160 -5.511 1.608
211 HA ILE 30 HA ILE 30 -8.647 -6.828 1.084
212 HB ILE 30 HB ILE 30 -6.804 -6.658 3.477
213 HG12 ILE 30 1HG1 ILE 30 -7.525 -8.989 1.637
214 HG13 ILE 30 2HG1 ILE 30 -6.178 -7.916 1.334
215 HG21 ILE 30 1HG2 ILE 30 -9.029 -7.034 4.461
216 HG22 ILE 30 2HG2 ILE 30 -9.332 -8.349 3.310
217 HG23 ILE 30 3HG2 ILE 30 -8.079 -8.497 4.555
218 HD11 ILE 30 3HD1 ILE 30 -6.470 -9.774 3.729
219 HD12 ILE 30 1HD1 ILE 30 -5.340 -9.912 2.383
220 HD13 ILE 30 2HD1 ILE 30 -5.168 -8.574 3.534
221 H GLN 31 H GLN 31 -7.912 -4.185 3.412
222 HA GLN 31 HA GLN 31 -10.680 -4.222 4.376
223 HB2 GLN 31 1HB GLN 31 -8.232 -2.585 5.120
224 HB3 GLN 31 2HB GLN 31 -9.800 -2.434 5.920
225 HG2 GLN 31 1HG GLN 31 -9.742 -4.762 6.651
226 HG3 GLN 31 2HG GLN 31 -8.240 -5.051 5.766
227 HE21 GLN 31 1HE2 GLN 31 -6.312 -3.775 6.421
228 HE22 GLN 31 2HE2 GLN 31 -6.162 -3.323 8.127
229 H LYS 32 H LYS 32 -8.687 -1.872 2.550
230 HA LYS 32 HA LYS 32 -10.913 0.088 2.497
231 HB2 LYS 32 1HB LYS 32 -8.071 0.307 1.428
232 HB3 LYS 32 2HB LYS 32 -9.231 1.619 1.598
233 HG2 LYS 32 1HG LYS 32 -7.926 0.053 3.867
234 HG3 LYS 32 2HG LYS 32 -7.590 1.713 3.376
235 HD2 LYS 32 1HD LYS 32 -9.931 2.355 3.984
236 HD3 LYS 32 2HD LYS 32 -10.202 0.701 4.581
237 HE2 LYS 32 1HE LYS 32 -8.333 0.965 6.186
238 HE3 LYS 32 2HE LYS 32 -8.051 2.608 5.593
239 HZ1 LYS 32 3HZ LYS 32 -10.553 1.685 6.908
240 HZ2 LYS 32 1HZ LYS 32 -10.287 3.202 6.360
241 HZ3 LYS 32 2HZ LYS 32 -9.410 2.617 7.604
242 H HIS 33 H HIS 33 -9.489 -2.205 0.317
243 HA HIS 33 HA HIS 33 -11.280 -1.217 -1.863
244 HB2 HIS 33 1HB HIS 33 -8.582 -2.550 -2.206
245 HB3 HIS 33 2HB HIS 33 -9.638 -1.959 -3.485
246 HD1 HIS 33 1HD HIS 33 -10.271 0.937 -2.759
247 HD2 HIS 33 2HD HIS 33 -6.600 -0.917 -1.922
248 HE1 HIS 33 1HE HIS 33 -8.610 2.826 -2.416
249 H SER 34 H SER 34 -11.586 -3.289 0.351
250 HA SER 34 HA SER 34 -12.546 -5.303 0.694
251 HB2 SER 34 1HB SER 34 -14.722 -5.509 -0.386
252 HB3 SER 34 2HB SER 34 -14.367 -3.874 0.170
253 HG SER 34 HG SER 34 -14.193 -4.827 -2.512
254 H ASN 35 H ASN 35 -10.231 -5.856 -0.767
255 HA ASN 35 HA ASN 35 -10.670 -7.494 -3.024
256 HB2 ASN 35 1HB ASN 35 -8.610 -6.323 -2.463
257 HB3 ASN 35 2HB ASN 35 -8.350 -7.363 -1.056
258 HD21 ASN 35 1HD2 ASN 35 -8.827 -7.654 -4.639
259 HD22 ASN 35 2HD2 ASN 35 -7.623 -8.923 -4.790
260 H ILE 36 H ILE 36 -11.421 -8.358 0.165
261 HA ILE 36 HA ILE 36 -11.188 -11.269 -0.267
262 HB ILE 36 HB ILE 36 -12.221 -11.364 2.063
263 HG12 ILE 36 1HG1 ILE 36 -11.915 -9.455 3.532
264 HG13 ILE 36 2HG1 ILE 36 -11.425 -8.420 2.197
265 HG21 ILE 36 1HG2 ILE 36 -10.028 -10.901 3.095
266 HG22 ILE 36 2HG2 ILE 36 -9.881 -11.795 1.576
267 HG23 ILE 36 3HG2 ILE 36 -9.519 -10.060 1.613
268 HD11 ILE 36 3HD1 ILE 36 -13.769 -8.061 2.996
269 HD12 ILE 36 1HD1 ILE 36 -13.675 -8.443 1.275
270 HD13 ILE 36 2HD1 ILE 36 -14.183 -9.696 2.440
271 H LEU 37 H LEU 37 -13.504 -9.004 -1.214
272 HA LEU 37 HA LEU 37 -15.909 -10.408 -0.603
273 HB2 LEU 37 1HB LEU 37 -15.463 -7.946 -0.973
274 HB3 LEU 37 2HB LEU 37 -15.270 -8.269 -2.682
275 HG LEU 37 HG LEU 37 -17.340 -7.235 -2.042
276 HD11 LEU 37 1HD1 LEU 37 -18.884 -8.526 -3.380
277 HD12 LEU 37 2HD1 LEU 37 -17.928 -10.001 -3.156
278 HD13 LEU 37 3HD1 LEU 37 -17.265 -8.642 -4.092
279 HD21 LEU 37 3HD2 LEU 37 -18.122 -9.840 -0.678
280 HD22 LEU 37 1HD2 LEU 37 -19.134 -8.396 -0.870
281 HD23 LEU 37 2HD2 LEU 37 -17.689 -8.328 0.152
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 18.859 14.430 -19.183
2 H2 GLY 1 2H GLY 1 18.939 12.801 -19.027
3 H3 GLY 1 3H GLY 1 20.103 13.744 -18.365
4 HA2 GLY 1 1HA GLY 1 18.540 14.707 -16.814
5 HA3 GLY 1 2HA GLY 1 17.272 13.705 -17.540
6 H SER 2 H SER 2 18.248 13.775 -14.751
7 HA SER 2 HA SER 2 19.699 11.286 -14.264
8 HB2 SER 2 1HB SER 2 19.303 11.866 -11.877
9 HB3 SER 2 2HB SER 2 20.120 13.129 -12.809
10 HG SER 2 HG SER 2 18.435 13.969 -11.482
11 H SER 3 H SER 3 18.906 9.562 -12.909
12 HA SER 3 HA SER 3 16.436 8.447 -13.823
13 HB2 SER 3 1HB SER 3 18.214 7.561 -11.523
14 HB3 SER 3 2HB SER 3 16.965 6.587 -12.322
15 HG SER 3 HG SER 3 19.070 6.158 -13.153
16 H GLY 4 H GLY 4 14.571 7.825 -12.681
17 HA2 GLY 4 1HA GLY 4 13.505 9.685 -10.739
18 HA3 GLY 4 2HA GLY 4 12.736 8.214 -11.322
19 H SER 5 H SER 5 12.471 9.009 -8.709
20 HA SER 5 HA SER 5 13.708 6.798 -7.183
21 HB2 SER 5 1HB SER 5 14.438 8.289 -5.382
22 HB3 SER 5 2HB SER 5 15.274 8.659 -6.894
23 HG SER 5 HG SER 5 14.542 10.557 -5.834
24 H SER 6 H SER 6 12.796 6.646 -4.952
25 HA SER 6 HA SER 6 10.073 7.742 -4.552
26 HB2 SER 6 1HB SER 6 9.056 5.608 -4.241
27 HB3 SER 6 2HB SER 6 9.896 5.536 -5.794
28 HG SER 6 HG SER 6 10.393 3.680 -4.651
29 H GLY 7 H GLY 7 9.231 6.815 -2.329
30 HA2 GLY 7 1HA GLY 7 11.173 7.396 -0.220
31 HA3 GLY 7 2HA GLY 7 9.477 6.950 -0.030
32 H HIS 8 H HIS 8 10.991 4.664 -2.035
33 HA HIS 8 HA HIS 8 11.306 2.477 -1.833
34 HB2 HIS 8 1HB HIS 8 13.383 3.514 -0.701
35 HB3 HIS 8 2HB HIS 8 12.725 2.868 0.798
36 HD1 HIS 8 1HD HIS 8 12.050 0.000 0.301
37 HD2 HIS 8 2HD HIS 8 15.117 1.966 -1.796
38 HE1 HIS 8 1HE HIS 8 13.606 -1.840 -0.584
39 H LEU 9 H LEU 9 8.843 3.526 -0.765
40 HA LEU 9 HA LEU 9 7.962 1.486 1.218
41 HB2 LEU 9 1HB LEU 9 6.476 3.828 -0.040
42 HB3 LEU 9 2HB LEU 9 5.864 2.779 1.230
43 HG LEU 9 HG LEU 9 8.181 4.737 1.484
44 HD11 LEU 9 1HD1 LEU 9 5.960 5.775 1.415
45 HD12 LEU 9 2HD1 LEU 9 6.671 5.902 3.030
46 HD13 LEU 9 3HD1 LEU 9 5.397 4.702 2.715
47 HD21 LEU 9 3HD2 LEU 9 8.118 4.186 3.908
48 HD22 LEU 9 1HD2 LEU 9 8.625 2.805 2.934
49 HD23 LEU 9 2HD2 LEU 9 6.966 2.875 3.571
50 H TYR 10 H TYR 10 5.766 0.523 0.732
51 HA TYR 10 HA TYR 10 5.559 -0.436 -2.087
52 HB2 TYR 10 1HB TYR 10 4.329 -1.526 0.470
53 HB3 TYR 10 2HB TYR 10 4.108 -2.182 -1.147
54 HD1 TYR 10 1HD TYR 10 6.516 -1.758 1.626
55 HD2 TYR 10 2HD TYR 10 5.848 -3.479 -2.267
56 HE1 TYR 10 1HE TYR 10 8.583 -3.151 1.880
57 HE2 TYR 10 2HE TYR 10 7.896 -4.864 -2.013
58 HH TYR 10 HH TYR 10 9.664 -5.425 -0.663
59 H TYR 11 H TYR 11 4.004 0.444 -3.317
60 HA TYR 11 HA TYR 11 2.127 2.406 -2.078
61 HB2 TYR 11 1HB TYR 11 3.350 2.262 -4.854
62 HB3 TYR 11 2HB TYR 11 2.165 3.445 -4.341
63 HD1 TYR 11 1HD TYR 11 5.670 2.261 -3.730
64 HD2 TYR 11 2HD TYR 11 2.807 5.453 -3.238
65 HE1 TYR 11 1HE TYR 11 7.489 3.779 -2.973
66 HE2 TYR 11 2HE TYR 11 4.629 6.966 -2.479
67 HH TYR 11 HH TYR 11 6.848 7.177 -2.018
68 H CYS 12 H CYS 12 -0.026 2.448 -2.544
69 HA CYS 12 HA CYS 12 -1.348 0.082 -3.453
70 HB2 CYS 12 1HB CYS 12 -2.174 1.675 -1.760
71 HB3 CYS 12 2HB CYS 12 -2.377 2.904 -3.017
72 H SER 13 H SER 13 -2.525 -0.357 -5.233
73 HA SER 13 HA SER 13 -1.699 0.864 -7.781
74 HB2 SER 13 1HB SER 13 -3.637 -1.415 -7.230
75 HB3 SER 13 2HB SER 13 -2.966 -0.968 -8.805
76 HG SER 13 HG SER 13 -0.890 -1.507 -8.018
77 H GLN 14 H GLN 14 -4.253 1.425 -5.563
78 HA GLN 14 HA GLN 14 -6.003 2.592 -7.709
79 HB2 GLN 14 1HB GLN 14 -6.866 1.021 -5.257
80 HB3 GLN 14 2HB GLN 14 -7.935 1.784 -6.441
81 HG2 GLN 14 1HG GLN 14 -6.856 0.329 -8.228
82 HG3 GLN 14 2HG GLN 14 -6.045 -0.553 -6.925
83 HE21 GLN 14 1HE2 GLN 14 -7.708 -1.284 -5.074
84 HE22 GLN 14 2HE2 GLN 14 -9.207 -1.963 -5.718
85 H CYS 15 H CYS 15 -4.396 3.351 -4.757
86 HA CYS 15 HA CYS 15 -5.624 6.006 -4.828
87 HB2 CYS 15 1HB CYS 15 -6.317 6.096 -2.550
88 HB3 CYS 15 2HB CYS 15 -7.098 4.719 -3.303
89 H HIS 16 H HIS 16 -4.588 7.201 -2.699
90 HA HIS 16 HA HIS 16 -1.809 7.531 -3.488
91 HB2 HIS 16 1HB HIS 16 -3.478 9.365 -3.064
92 HB3 HIS 16 2HB HIS 16 -3.429 8.962 -1.350
93 HD1 HIS 16 1HD HIS 16 -1.686 10.405 -0.037
94 HD2 HIS 16 2HD HIS 16 -0.871 10.008 -4.148
95 HE1 HIS 16 1HE HIS 16 0.351 11.865 -0.505
96 H TYR 17 H TYR 17 -3.176 5.419 -1.232
97 HA TYR 17 HA TYR 17 -1.523 5.727 1.054
98 HB2 TYR 17 1HB TYR 17 -3.590 4.446 1.053
99 HB3 TYR 17 2HB TYR 17 -2.914 3.292 -0.089
100 HD1 TYR 17 2HD TYR 17 -1.260 1.611 0.597
101 HD2 TYR 17 1HD TYR 17 -2.961 4.379 3.435
102 HE1 TYR 17 2HE TYR 17 -0.433 0.194 2.477
103 HE2 TYR 17 1HE TYR 17 -2.159 2.946 5.308
104 HH TYR 17 HH TYR 17 -1.062 1.024 5.902
105 H SER 18 H SER 18 0.384 4.916 1.725
106 HA SER 18 HA SER 18 1.672 2.707 0.384
107 HB2 SER 18 1HB SER 18 3.841 3.807 0.016
108 HB3 SER 18 2HB SER 18 2.553 4.507 -0.976
109 HG SER 18 HG SER 18 3.793 6.156 -0.055
110 H SER 19 H SER 19 3.224 1.648 1.661
111 HA SER 19 HA SER 19 3.968 2.717 4.292
112 HB2 SER 19 1HB SER 19 1.618 1.753 4.537
113 HB3 SER 19 2HB SER 19 2.330 0.157 4.228
114 HG SER 19 HG SER 19 2.181 0.753 6.489
115 H ILE 20 H ILE 20 5.141 0.944 5.580
116 HA ILE 20 HA ILE 20 7.166 -0.374 3.882
117 HB ILE 20 HB ILE 20 8.195 -1.076 6.007
118 HG12 ILE 20 1HG1 ILE 20 6.059 0.614 7.390
119 HG13 ILE 20 2HG1 ILE 20 6.144 -1.148 7.427
120 HG21 ILE 20 1HG2 ILE 20 8.785 1.036 4.812
121 HG22 ILE 20 2HG2 ILE 20 7.672 1.923 5.879
122 HG23 ILE 20 3HG2 ILE 20 9.102 1.108 6.543
123 HD11 ILE 20 3HD1 ILE 20 7.061 -0.304 9.477
124 HD12 ILE 20 1HD1 ILE 20 8.388 -0.998 8.523
125 HD13 ILE 20 2HD1 ILE 20 8.179 0.770 8.622
126 H THR 21 H THR 21 7.572 -2.568 3.887
127 HA THR 21 HA THR 21 7.110 -4.721 3.525
128 HB THR 21 HB THR 21 5.383 -4.561 6.005
129 HG1 THR 21 1HG THR 21 7.306 -5.123 7.025
130 HG21 THR 21 3HG2 THR 21 6.827 -6.898 4.669
131 HG22 THR 21 1HG2 THR 21 5.069 -6.707 4.867
132 HG23 THR 21 2HG2 THR 21 6.087 -6.939 6.285
133 H LYS 22 H LYS 22 6.091 -5.577 1.868
134 HA LYS 22 HA LYS 22 3.648 -4.645 0.824
135 HB2 LYS 22 1HB LYS 22 3.774 -6.519 -0.745
136 HB3 LYS 22 2HB LYS 22 5.303 -5.673 -0.571
137 HG2 LYS 22 1HG LYS 22 6.121 -7.461 0.965
138 HG3 LYS 22 2HG LYS 22 4.622 -8.358 0.697
139 HD2 LYS 22 1HD LYS 22 6.680 -7.575 -1.414
140 HD3 LYS 22 2HD LYS 22 6.536 -9.169 -0.690
141 HE2 LYS 22 1HE LYS 22 4.371 -7.825 -2.378
142 HE3 LYS 22 2HE LYS 22 5.569 -8.960 -2.996
143 HZ1 LYS 22 3HZ LYS 22 4.678 -10.650 -1.488
144 HZ2 LYS 22 1HZ LYS 22 3.513 -10.105 -2.486
145 HZ3 LYS 22 2HZ LYS 22 3.537 -9.618 -0.930
146 H ASN 23 H ASN 23 4.004 -7.148 3.252
147 HA ASN 23 HA ASN 23 1.361 -8.258 2.989
148 HB2 ASN 23 1HB ASN 23 3.280 -9.282 4.259
149 HB3 ASN 23 2HB ASN 23 3.090 -8.031 5.494
150 HD21 ASN 23 1HD2 ASN 23 1.420 -10.770 3.892
151 HD22 ASN 23 2HD2 ASN 23 0.335 -11.066 5.240
152 H CYS 24 H CYS 24 2.546 -5.315 4.666
153 HA CYS 24 HA CYS 24 0.012 -4.720 5.960
154 HB2 CYS 24 1HB CYS 24 2.391 -2.946 5.262
155 HB3 CYS 24 2HB CYS 24 1.046 -2.502 6.325
156 HG CYS 24 HG CYS 24 3.234 -3.082 7.714
157 H LEU 25 H LEU 25 1.521 -3.761 2.831
158 HA LEU 25 HA LEU 25 -0.620 -2.172 1.965
159 HB2 LEU 25 1HB LEU 25 1.598 -2.149 0.911
160 HB3 LEU 25 2HB LEU 25 1.359 -3.804 0.342
161 HG LEU 25 HG LEU 25 -0.556 -3.048 -1.066
162 HD11 LEU 25 1HD1 LEU 25 0.277 -0.254 -0.155
163 HD12 LEU 25 2HD1 LEU 25 -1.281 -1.049 0.194
164 HD13 LEU 25 3HD1 LEU 25 -0.869 -0.628 -1.459
165 HD21 LEU 25 3HD2 LEU 25 1.957 -1.431 -1.552
166 HD22 LEU 25 1HD2 LEU 25 0.757 -1.945 -2.754
167 HD23 LEU 25 2HD2 LEU 25 1.767 -3.155 -1.951
168 H LYS 26 H LYS 26 -0.099 -5.715 1.605
169 HA LYS 26 HA LYS 26 -2.470 -6.281 0.133
170 HB2 LYS 26 1HB LYS 26 -0.568 -7.855 0.558
171 HB3 LYS 26 2HB LYS 26 -1.134 -8.055 2.224
172 HG2 LYS 26 1HG LYS 26 -3.295 -8.936 1.390
173 HG3 LYS 26 2HG LYS 26 -2.758 -8.689 -0.283
174 HD2 LYS 26 1HD LYS 26 -0.905 -10.302 0.081
175 HD3 LYS 26 2HD LYS 26 -1.448 -10.547 1.757
176 HE2 LYS 26 1HE LYS 26 -3.648 -11.349 0.924
177 HE3 LYS 26 2HE LYS 26 -3.117 -11.094 -0.742
178 HZ1 LYS 26 3HZ LYS 26 -1.872 -13.007 1.165
179 HZ2 LYS 26 1HZ LYS 26 -1.381 -12.769 -0.377
180 HZ3 LYS 26 2HZ LYS 26 -2.849 -13.412 -0.075
181 H ARG 27 H ARG 27 -2.044 -6.043 3.687
182 HA ARG 27 HA ARG 27 -4.807 -6.505 4.370
183 HB2 ARG 27 1HB ARG 27 -2.636 -4.922 5.803
184 HB3 ARG 27 2HB ARG 27 -4.211 -5.297 6.505
185 HG2 ARG 27 1HG ARG 27 -3.776 -7.672 6.484
186 HG3 ARG 27 2HG ARG 27 -2.324 -7.466 5.507
187 HD2 ARG 27 1HD ARG 27 -1.400 -6.015 7.416
188 HD3 ARG 27 2HD ARG 27 -2.733 -6.619 8.399
189 HE ARG 27 HE ARG 27 -0.446 -8.173 7.240
190 HH11 ARG 27 2HH1 ARG 27 -3.209 -8.325 9.411
191 HH12 ARG 27 1HH1 ARG 27 -2.663 -9.835 10.094
192 HH21 ARG 27 2HH2 ARG 27 0.162 -9.982 8.109
193 HH22 ARG 27 1HH2 ARG 27 -0.767 -10.773 9.372
194 H HIS 28 H HIS 28 -3.135 -3.417 3.553
195 HA HIS 28 HA HIS 28 -5.431 -1.733 3.831
196 HB2 HIS 28 1HB HIS 28 -3.340 -0.669 3.533
197 HB3 HIS 28 2HB HIS 28 -2.965 -1.566 2.075
198 HD1 HIS 28 1HD HIS 28 -4.997 1.450 3.200
199 HD2 HIS 28 2HD HIS 28 -4.068 -0.749 -0.254
200 HE1 HIS 28 1HE HIS 28 -5.892 2.811 1.259
201 H VAL 29 H VAL 29 -4.337 -3.611 0.932
202 HA VAL 29 HA VAL 29 -6.556 -2.783 -0.687
203 HB VAL 29 HB VAL 29 -4.762 -5.215 -0.933
204 HG11 VAL 29 1HG1 VAL 29 -5.503 -5.231 -3.323
205 HG12 VAL 29 2HG1 VAL 29 -6.815 -5.637 -2.214
206 HG13 VAL 29 3HG1 VAL 29 -6.730 -4.007 -2.925
207 HG21 VAL 29 3HG2 VAL 29 -3.651 -3.881 -2.686
208 HG22 VAL 29 1HG2 VAL 29 -4.767 -2.530 -2.398
209 HG23 VAL 29 2HG2 VAL 29 -3.597 -3.009 -1.157
210 H ILE 30 H ILE 30 -6.221 -5.603 1.480
211 HA ILE 30 HA ILE 30 -8.790 -6.755 0.922
212 HB ILE 30 HB ILE 30 -6.937 -6.865 3.325
213 HG12 ILE 30 1HG1 ILE 30 -7.644 -9.028 1.298
214 HG13 ILE 30 2HG1 ILE 30 -6.305 -7.925 1.051
215 HG21 ILE 30 1HG2 ILE 30 -9.494 -8.474 2.898
216 HG22 ILE 30 2HG2 ILE 30 -8.277 -8.805 4.147
217 HG23 ILE 30 3HG2 ILE 30 -9.186 -7.310 4.206
218 HD11 ILE 30 3HD1 ILE 30 -5.448 -9.983 1.950
219 HD12 ILE 30 1HD1 ILE 30 -5.258 -8.715 3.178
220 HD13 ILE 30 2HD1 ILE 30 -6.551 -9.931 3.328
221 H GLN 31 H GLN 31 -7.825 -4.288 3.348
222 HA GLN 31 HA GLN 31 -10.501 -4.262 4.498
223 HB2 GLN 31 1HB GLN 31 -8.369 -4.196 5.777
224 HB3 GLN 31 2HB GLN 31 -8.055 -2.576 5.142
225 HG2 GLN 31 1HG GLN 31 -10.115 -1.743 6.254
226 HG3 GLN 31 2HG GLN 31 -10.473 -3.377 6.826
227 HE21 GLN 31 1HE2 GLN 31 -8.947 -4.343 8.454
228 HE22 GLN 31 2HE2 GLN 31 -7.998 -3.244 9.444
229 H LYS 32 H LYS 32 -8.658 -1.978 2.457
230 HA LYS 32 HA LYS 32 -10.791 0.081 2.781
231 HB2 LYS 32 1HB LYS 32 -7.958 0.360 1.719
232 HB3 LYS 32 2HB LYS 32 -9.083 1.668 2.047
233 HG2 LYS 32 1HG LYS 32 -7.818 -0.169 4.122
234 HG3 LYS 32 2HG LYS 32 -7.424 1.518 3.802
235 HD2 LYS 32 1HD LYS 32 -9.764 2.165 4.490
236 HD3 LYS 32 2HD LYS 32 -10.076 0.470 4.881
237 HE2 LYS 32 1HE LYS 32 -9.569 1.453 6.942
238 HE3 LYS 32 2HE LYS 32 -8.127 0.542 6.494
239 HZ1 LYS 32 3HZ LYS 32 -8.475 3.481 6.164
240 HZ2 LYS 32 1HZ LYS 32 -7.119 2.654 5.769
241 HZ3 LYS 32 2HZ LYS 32 -7.587 2.764 7.326
242 H HIS 33 H HIS 33 -9.948 -2.163 0.374
243 HA HIS 33 HA HIS 33 -11.475 -0.543 -1.628
244 HB2 HIS 33 1HB HIS 33 -9.125 -2.389 -2.154
245 HB3 HIS 33 2HB HIS 33 -10.165 -1.684 -3.388
246 HD1 HIS 33 1HD HIS 33 -10.164 1.160 -3.375
247 HD2 HIS 33 2HD HIS 33 -7.043 -0.918 -1.488
248 HE1 HIS 33 1HE HIS 33 -8.287 2.836 -3.109
249 H SER 34 H SER 34 -13.274 -1.406 -2.398
250 HA SER 34 HA SER 34 -14.108 -4.112 -1.598
251 HB2 SER 34 1HB SER 34 -16.301 -3.366 -2.490
252 HB3 SER 34 2HB SER 34 -15.640 -2.292 -1.245
253 HG SER 34 HG SER 34 -16.457 -1.132 -3.065
254 H ASN 35 H ASN 35 -12.687 -2.716 -4.357
255 HA ASN 35 HA ASN 35 -13.040 -5.184 -5.937
256 HB2 ASN 35 1HB ASN 35 -14.799 -3.611 -6.730
257 HB3 ASN 35 2HB ASN 35 -13.581 -2.357 -6.976
258 HD21 ASN 35 2HD2 ASN 35 -14.451 -5.700 -8.025
259 HD22 ASN 35 1HD2 ASN 35 -13.782 -5.492 -9.638
260 H ILE 36 H ILE 36 -11.309 -5.458 -7.515
261 HA ILE 36 HA ILE 36 -8.883 -3.795 -7.061
262 HB ILE 36 HB ILE 36 -7.499 -5.809 -6.889
263 HG12 ILE 36 1HG1 ILE 36 -10.107 -7.364 -6.556
264 HG13 ILE 36 2HG1 ILE 36 -9.057 -7.429 -7.973
265 HG21 ILE 36 1HG2 ILE 36 -7.899 -6.191 -4.543
266 HG22 ILE 36 2HG2 ILE 36 -8.294 -4.508 -4.899
267 HG23 ILE 36 3HG2 ILE 36 -9.597 -5.697 -4.683
268 HD11 ILE 36 3HD1 ILE 36 -8.344 -8.365 -5.169
269 HD12 ILE 36 1HD1 ILE 36 -8.614 -9.356 -6.609
270 HD13 ILE 36 2HD1 ILE 36 -7.199 -8.288 -6.532
271 H LEU 37 H LEU 37 -7.221 -3.976 -8.597
272 HA LEU 37 HA LEU 37 -8.144 -4.139 -11.349
273 HB2 LEU 37 1HB LEU 37 -6.797 -2.257 -10.558
274 HB3 LEU 37 2HB LEU 37 -5.546 -3.353 -9.968
275 HG LEU 37 HG LEU 37 -5.036 -4.051 -12.260
276 HD11 LEU 37 1HD1 LEU 37 -7.028 -1.880 -13.071
277 HD12 LEU 37 2HD1 LEU 37 -7.190 -3.622 -13.385
278 HD13 LEU 37 3HD1 LEU 37 -5.903 -2.705 -14.173
279 HD21 LEU 37 3HD2 LEU 37 -3.800 -2.209 -11.196
280 HD22 LEU 37 1HD2 LEU 37 -4.984 -1.036 -11.818
281 HD23 LEU 37 2HD2 LEU 37 -3.945 -1.945 -12.940
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 8.352 5.873 -3.978
2 H2 GLY 1 2H GLY 1 9.703 5.506 -4.822
3 H3 GLY 1 3H GLY 1 8.239 5.444 -5.562
4 HA2 GLY 1 1HA GLY 1 7.959 7.829 -5.324
5 HA3 GLY 1 2HA GLY 1 9.546 7.881 -4.531
6 H SER 2 H SER 2 8.896 9.373 -6.856
7 HA SER 2 HA SER 2 9.376 8.146 -9.311
8 HB2 SER 2 1HB SER 2 9.943 11.041 -8.579
9 HB3 SER 2 2HB SER 2 9.602 10.399 -10.199
10 HG SER 2 HG SER 2 7.732 11.309 -9.221
11 H SER 3 H SER 3 11.834 9.156 -7.031
12 HA SER 3 HA SER 3 14.017 9.105 -8.999
13 HB2 SER 3 1HB SER 3 13.862 10.612 -6.946
14 HB3 SER 3 2HB SER 3 14.265 9.185 -5.978
15 HG SER 3 HG SER 3 16.190 9.000 -7.279
16 H GLY 4 H GLY 4 12.290 6.641 -7.455
17 HA2 GLY 4 1HA GLY 4 12.639 4.371 -7.281
18 HA3 GLY 4 2HA GLY 4 14.197 4.547 -8.081
19 H SER 5 H SER 5 14.513 2.773 -6.407
20 HA SER 5 HA SER 5 15.396 1.929 -4.494
21 HB2 SER 5 1HB SER 5 16.975 4.516 -4.565
22 HB3 SER 5 2HB SER 5 17.431 3.028 -3.711
23 HG SER 5 HG SER 5 18.425 3.191 -5.782
24 H SER 6 H SER 6 12.936 3.140 -3.929
25 HA SER 6 HA SER 6 13.066 4.857 -1.633
26 HB2 SER 6 1HB SER 6 10.653 3.404 -2.762
27 HB3 SER 6 2HB SER 6 10.659 4.846 -1.728
28 HG SER 6 HG SER 6 11.942 5.843 -3.488
29 H GLY 7 H GLY 7 14.527 2.921 -0.652
30 HA2 GLY 7 1HA GLY 7 14.826 1.542 1.183
31 HA3 GLY 7 2HA GLY 7 13.376 2.304 1.835
32 H HIS 8 H HIS 8 11.857 0.904 2.401
33 HA HIS 8 HA HIS 8 11.323 -1.499 0.728
34 HB2 HIS 8 1HB HIS 8 12.468 -1.826 3.076
35 HB3 HIS 8 2HB HIS 8 10.847 -1.557 3.707
36 HD1 HIS 8 1HD HIS 8 9.705 -3.940 4.067
37 HD2 HIS 8 2HD HIS 8 12.426 -3.754 0.849
38 HE1 HIS 8 1HE HIS 8 9.821 -6.274 3.092
39 H LEU 9 H LEU 9 10.134 1.212 0.592
40 HA LEU 9 HA LEU 9 7.409 0.970 1.615
41 HB2 LEU 9 1HB LEU 9 8.788 2.931 -0.254
42 HB3 LEU 9 2HB LEU 9 7.058 2.933 -0.040
43 HG LEU 9 HG LEU 9 8.016 4.664 1.269
44 HD11 LEU 9 1HD1 LEU 9 7.046 2.489 3.152
45 HD12 LEU 9 2HD1 LEU 9 5.998 3.498 2.127
46 HD13 LEU 9 3HD1 LEU 9 6.979 4.241 3.402
47 HD21 LEU 9 3HD2 LEU 9 9.446 4.303 3.211
48 HD22 LEU 9 1HD2 LEU 9 10.247 3.771 1.725
49 HD23 LEU 9 2HD2 LEU 9 9.560 2.573 2.841
50 H TYR 10 H TYR 10 5.626 0.358 0.642
51 HA TYR 10 HA TYR 10 5.599 -0.347 -2.257
52 HB2 TYR 10 1HB TYR 10 4.291 -1.833 0.052
53 HB3 TYR 10 2HB TYR 10 3.889 -2.081 -1.642
54 HD1 TYR 10 1HD TYR 10 6.605 -2.446 0.876
55 HD2 TYR 10 2HD TYR 10 5.296 -3.344 -3.133
56 HE1 TYR 10 1HE TYR 10 8.500 -4.054 0.614
57 HE2 TYR 10 2HE TYR 10 7.173 -4.956 -3.387
58 HH TYR 10 HH TYR 10 9.001 -5.920 -2.404
59 H TYR 11 H TYR 11 3.766 0.269 -3.377
60 HA TYR 11 HA TYR 11 2.115 2.389 -2.059
61 HB2 TYR 11 1HB TYR 11 3.292 2.324 -4.857
62 HB3 TYR 11 2HB TYR 11 2.285 3.594 -4.189
63 HD1 TYR 11 1HD TYR 11 5.627 1.930 -3.905
64 HD2 TYR 11 2HD TYR 11 3.221 5.359 -2.863
65 HE1 TYR 11 1HE TYR 11 7.647 3.077 -3.014
66 HE2 TYR 11 2HE TYR 11 5.246 6.509 -1.988
67 HH TYR 11 HH TYR 11 7.503 6.363 -1.592
68 H CYS 12 H CYS 12 -0.020 2.564 -2.544
69 HA CYS 12 HA CYS 12 -1.404 0.232 -3.386
70 HB2 CYS 12 1HB CYS 12 -2.106 1.888 -1.677
71 HB3 CYS 12 2HB CYS 12 -2.413 3.063 -2.966
72 H SER 13 H SER 13 -2.799 -0.148 -5.026
73 HA SER 13 HA SER 13 -2.119 1.017 -7.673
74 HB2 SER 13 1HB SER 13 -3.788 -1.418 -6.949
75 HB3 SER 13 2HB SER 13 -3.340 -0.907 -8.588
76 HG SER 13 HG SER 13 -1.928 -2.522 -7.773
77 H GLN 14 H GLN 14 -4.554 1.428 -5.297
78 HA GLN 14 HA GLN 14 -6.490 2.494 -7.335
79 HB2 GLN 14 1HB GLN 14 -7.133 0.995 -4.773
80 HB3 GLN 14 2HB GLN 14 -8.302 1.739 -5.870
81 HG2 GLN 14 1HG GLN 14 -7.431 0.235 -7.717
82 HG3 GLN 14 2HG GLN 14 -6.426 -0.575 -6.512
83 HE21 GLN 14 1HE2 GLN 14 -7.461 -2.626 -6.745
84 HE22 GLN 14 2HE2 GLN 14 -9.125 -2.880 -6.229
85 H CYS 15 H CYS 15 -4.624 3.382 -4.605
86 HA CYS 15 HA CYS 15 -5.818 6.043 -4.685
87 HB2 CYS 15 1HB CYS 15 -6.309 6.251 -2.358
88 HB3 CYS 15 2HB CYS 15 -7.168 4.845 -2.967
89 H HIS 16 H HIS 16 -4.527 7.251 -2.634
90 HA HIS 16 HA HIS 16 -1.783 7.371 -3.668
91 HB2 HIS 16 1HB HIS 16 -3.338 9.343 -3.346
92 HB3 HIS 16 2HB HIS 16 -3.146 9.136 -1.606
93 HD1 HIS 16 1HD HIS 16 -1.142 10.530 -0.630
94 HD2 HIS 16 2HD HIS 16 -0.870 9.730 -4.753
95 HE1 HIS 16 1HE HIS 16 0.903 11.801 -1.470
96 H TYR 17 H TYR 17 -3.115 5.503 -1.248
97 HA TYR 17 HA TYR 17 -1.423 5.917 0.992
98 HB2 TYR 17 1HB TYR 17 -3.546 4.713 1.053
99 HB3 TYR 17 2HB TYR 17 -2.884 3.449 0.025
100 HD1 TYR 17 1HD TYR 17 -2.829 4.909 3.435
101 HD2 TYR 17 2HD TYR 17 -1.471 1.697 0.898
102 HE1 TYR 17 1HE TYR 17 -2.186 3.580 5.448
103 HE2 TYR 17 2HE TYR 17 -0.829 0.374 2.909
104 HH TYR 17 HH TYR 17 -0.827 0.276 5.202
105 H SER 18 H SER 18 0.374 4.886 1.795
106 HA SER 18 HA SER 18 1.673 2.728 0.338
107 HB2 SER 18 1HB SER 18 3.881 3.761 0.254
108 HB3 SER 18 2HB SER 18 2.710 4.693 -0.693
109 HG SER 18 HG SER 18 4.018 6.057 0.598
110 H SER 19 H SER 19 3.214 1.566 1.590
111 HA SER 19 HA SER 19 3.607 2.282 4.417
112 HB2 SER 19 1HB SER 19 1.373 1.013 4.215
113 HB3 SER 19 2HB SER 19 2.346 -0.405 3.784
114 HG SER 19 HG SER 19 2.244 1.073 6.204
115 H ILE 20 H ILE 20 5.125 0.823 5.518
116 HA ILE 20 HA ILE 20 7.230 -0.188 3.725
117 HB ILE 20 HB ILE 20 8.394 -0.822 5.847
118 HG12 ILE 20 1HG1 ILE 20 6.242 0.849 7.231
119 HG13 ILE 20 2HG1 ILE 20 6.387 -0.903 7.354
120 HG21 ILE 20 1HG2 ILE 20 7.679 2.120 5.524
121 HG22 ILE 20 2HG2 ILE 20 9.164 1.457 6.240
122 HG23 ILE 20 3HG2 ILE 20 8.843 1.216 4.528
123 HD11 ILE 20 3HD1 ILE 20 7.361 0.067 9.314
124 HD12 ILE 20 1HD1 ILE 20 8.671 -0.628 8.338
125 HD13 ILE 20 2HD1 ILE 20 8.402 1.133 8.361
126 H THR 21 H THR 21 7.628 -2.195 3.199
127 HA THR 21 HA THR 21 7.409 -4.386 2.808
128 HB THR 21 HB THR 21 6.212 -4.679 5.574
129 HG1 THR 21 1HG THR 21 8.319 -5.050 6.161
130 HG21 THR 21 3HG2 THR 21 5.862 -6.731 4.306
131 HG22 THR 21 1HG2 THR 21 7.205 -6.970 5.424
132 HG23 THR 21 2HG2 THR 21 7.537 -6.692 3.701
133 H LYS 22 H LYS 22 6.158 -5.608 1.572
134 HA LYS 22 HA LYS 22 3.728 -4.537 0.672
135 HB2 LYS 22 1HB LYS 22 3.607 -6.491 -0.810
136 HB3 LYS 22 2HB LYS 22 5.191 -5.730 -0.780
137 HG2 LYS 22 1HG LYS 22 6.044 -7.512 0.722
138 HG3 LYS 22 2HG LYS 22 4.450 -8.297 0.684
139 HD2 LYS 22 1HD LYS 22 4.664 -8.609 -1.772
140 HD3 LYS 22 2HD LYS 22 6.193 -7.726 -1.757
141 HE2 LYS 22 1HE LYS 22 6.750 -10.029 -1.879
142 HE3 LYS 22 2HE LYS 22 7.180 -9.471 -0.263
143 HZ1 LYS 22 3HZ LYS 22 4.711 -10.990 -0.947
144 HZ2 LYS 22 1HZ LYS 22 5.128 -10.510 0.563
145 HZ3 LYS 22 2HZ LYS 22 6.027 -11.619 -0.222
146 H ASN 23 H ASN 23 4.039 -6.957 3.195
147 HA ASN 23 HA ASN 23 1.311 -7.880 3.096
148 HB2 ASN 23 1HB ASN 23 3.194 -9.026 4.284
149 HB3 ASN 23 2HB ASN 23 3.214 -7.722 5.478
150 HD21 ASN 23 1HD2 ASN 23 1.372 -10.505 4.257
151 HD22 ASN 23 2HD2 ASN 23 0.276 -10.561 5.629
152 H CYS 24 H CYS 24 2.790 -4.993 4.585
153 HA CYS 24 HA CYS 24 0.431 -4.188 6.067
154 HB2 CYS 24 1HB CYS 24 2.885 -2.637 5.162
155 HB3 CYS 24 2HB CYS 24 1.674 -2.067 6.319
156 HG CYS 24 HG CYS 24 4.006 -2.923 7.410
157 H LEU 25 H LEU 25 1.573 -3.640 2.731
158 HA LEU 25 HA LEU 25 -0.564 -1.869 2.092
159 HB2 LEU 25 1HB LEU 25 1.519 -1.814 0.826
160 HB3 LEU 25 2HB LEU 25 1.290 -3.493 0.324
161 HG LEU 25 HG LEU 25 -0.770 -2.844 -0.926
162 HD11 LEU 25 1HD1 LEU 25 -1.436 -0.831 0.368
163 HD12 LEU 25 2HD1 LEU 25 -1.248 -0.471 -1.337
164 HD13 LEU 25 3HD1 LEU 25 0.029 0.011 -0.198
165 HD21 LEU 25 3HD2 LEU 25 1.436 -2.908 -2.034
166 HD22 LEU 25 1HD2 LEU 25 1.652 -1.181 -1.664
167 HD23 LEU 25 2HD2 LEU 25 0.347 -1.709 -2.746
168 H LYS 26 H LYS 26 -0.031 -5.393 1.674
169 HA LYS 26 HA LYS 26 -2.360 -6.023 0.241
170 HB2 LYS 26 1HB LYS 26 -0.426 -7.535 0.699
171 HB3 LYS 26 2HB LYS 26 -1.000 -7.745 2.361
172 HG2 LYS 26 1HG LYS 26 -3.105 -8.731 1.516
173 HG3 LYS 26 2HG LYS 26 -2.577 -8.456 -0.155
174 HD2 LYS 26 1HD LYS 26 -0.651 -9.984 0.210
175 HD3 LYS 26 2HD LYS 26 -1.184 -10.252 1.886
176 HE2 LYS 26 1HE LYS 26 -3.342 -11.158 1.055
177 HE3 LYS 26 2HE LYS 26 -2.825 -10.880 -0.612
178 HZ1 LYS 26 3HZ LYS 26 -2.448 -13.181 0.055
179 HZ2 LYS 26 1HZ LYS 26 -1.491 -12.730 1.295
180 HZ3 LYS 26 2HZ LYS 26 -1.012 -12.470 -0.247
181 H ARG 27 H ARG 27 -2.049 -5.873 3.820
182 HA ARG 27 HA ARG 27 -4.831 -6.442 4.303
183 HB2 ARG 27 1HB ARG 27 -4.463 -5.734 6.570
184 HB3 ARG 27 2HB ARG 27 -3.119 -6.728 6.013
185 HG2 ARG 27 1HG ARG 27 -1.779 -4.642 5.638
186 HG3 ARG 27 2HG ARG 27 -3.128 -3.685 6.260
187 HD2 ARG 27 1HD ARG 27 -1.576 -3.917 8.036
188 HD3 ARG 27 2HD ARG 27 -2.967 -4.944 8.417
189 HE ARG 27 HE ARG 27 -0.872 -6.430 7.047
190 HH11 ARG 27 2HH1 ARG 27 -1.701 -5.189 10.226
191 HH12 ARG 27 1HH1 ARG 27 -0.716 -6.371 11.042
192 HH21 ARG 27 2HH2 ARG 27 0.394 -7.880 8.155
193 HH22 ARG 27 1HH2 ARG 27 0.427 -7.855 9.900
194 H HIS 28 H HIS 28 -3.255 -3.321 3.608
195 HA HIS 28 HA HIS 28 -5.608 -1.698 4.038
196 HB2 HIS 28 1HB HIS 28 -3.584 -0.524 3.893
197 HB3 HIS 28 2HB HIS 28 -3.055 -1.354 2.447
198 HD1 HIS 28 1HD HIS 28 -5.155 1.621 3.488
199 HD2 HIS 28 2HD HIS 28 -4.052 -0.542 0.059
200 HE1 HIS 28 1HE HIS 28 -5.847 3.056 1.516
201 H VAL 29 H VAL 29 -4.350 -3.353 1.079
202 HA VAL 29 HA VAL 29 -6.522 -2.545 -0.602
203 HB VAL 29 HB VAL 29 -4.714 -4.983 -0.817
204 HG11 VAL 29 1HG1 VAL 29 -5.314 -4.948 -3.231
205 HG12 VAL 29 2HG1 VAL 29 -6.712 -5.320 -2.223
206 HG13 VAL 29 3HG1 VAL 29 -6.522 -3.687 -2.906
207 HG21 VAL 29 3HG2 VAL 29 -4.587 -2.261 -2.207
208 HG22 VAL 29 1HG2 VAL 29 -3.502 -2.792 -0.913
209 HG23 VAL 29 2HG2 VAL 29 -3.483 -3.625 -2.462
210 H ILE 30 H ILE 30 -6.172 -5.471 1.444
211 HA ILE 30 HA ILE 30 -8.673 -6.667 0.764
212 HB ILE 30 HB ILE 30 -6.887 -6.832 3.210
213 HG12 ILE 30 1HG1 ILE 30 -7.499 -8.892 1.041
214 HG13 ILE 30 2HG1 ILE 30 -6.167 -7.759 0.919
215 HG21 ILE 30 1HG2 ILE 30 -9.142 -7.378 4.025
216 HG22 ILE 30 2HG2 ILE 30 -9.386 -8.498 2.665
217 HG23 ILE 30 3HG2 ILE 30 -8.185 -8.838 3.926
218 HD11 ILE 30 3HD1 ILE 30 -5.305 -9.851 1.707
219 HD12 ILE 30 1HD1 ILE 30 -5.198 -8.681 3.038
220 HD13 ILE 30 2HD1 ILE 30 -6.470 -9.929 3.030
221 H GLN 31 H GLN 31 -7.924 -4.272 3.350
222 HA GLN 31 HA GLN 31 -10.675 -4.366 4.326
223 HB2 GLN 31 1HB GLN 31 -8.257 -2.693 5.085
224 HB3 GLN 31 2HB GLN 31 -9.808 -2.573 5.901
225 HG2 GLN 31 1HG GLN 31 -8.178 -5.149 5.708
226 HG3 GLN 31 2HG GLN 31 -8.141 -4.039 7.069
227 HE21 GLN 31 1HE2 GLN 31 -8.776 -6.654 7.596
228 HE22 GLN 31 2HE2 GLN 31 -10.490 -6.770 7.971
229 H LYS 32 H LYS 32 -8.907 -2.120 2.224
230 HA LYS 32 HA LYS 32 -11.165 -0.163 2.366
231 HB2 LYS 32 1HB LYS 32 -8.333 0.198 1.319
232 HB3 LYS 32 2HB LYS 32 -9.536 1.459 1.538
233 HG2 LYS 32 1HG LYS 32 -8.215 -0.151 3.767
234 HG3 LYS 32 2HG LYS 32 -7.875 1.517 3.314
235 HD2 LYS 32 1HD LYS 32 -10.207 2.160 3.919
236 HD3 LYS 32 2HD LYS 32 -10.511 0.490 4.454
237 HE2 LYS 32 1HE LYS 32 -8.662 0.673 6.095
238 HE3 LYS 32 2HE LYS 32 -8.353 2.333 5.571
239 HZ1 LYS 32 3HZ LYS 32 -9.749 2.278 7.559
240 HZ2 LYS 32 1HZ LYS 32 -10.886 1.384 6.807
241 HZ3 LYS 32 2HZ LYS 32 -10.599 2.919 6.323
242 H HIS 33 H HIS 33 -9.894 -2.433 0.094
243 HA HIS 33 HA HIS 33 -11.342 -1.073 -2.148
244 HB2 HIS 33 1HB HIS 33 -8.597 -2.370 -2.252
245 HB3 HIS 33 2HB HIS 33 -9.455 -1.660 -3.605
246 HD1 HIS 33 1HD HIS 33 -10.305 1.132 -2.253
247 HD2 HIS 33 2HD HIS 33 -6.563 -0.764 -2.070
248 HE1 HIS 33 1HE HIS 33 -8.624 2.973 -1.783
249 H SER 34 H SER 34 -11.316 -2.587 -4.136
250 HA SER 34 HA SER 34 -12.058 -5.386 -3.421
251 HB2 SER 34 1HB SER 34 -13.912 -5.258 -5.016
252 HB3 SER 34 2HB SER 34 -14.107 -4.094 -3.697
253 HG SER 34 HG SER 34 -14.552 -3.156 -5.746
254 H ASN 35 H ASN 35 -12.137 -6.809 -5.372
255 HA ASN 35 HA ASN 35 -9.961 -6.179 -7.325
256 HB2 ASN 35 1HB ASN 35 -9.079 -7.631 -5.570
257 HB3 ASN 35 2HB ASN 35 -10.457 -8.724 -5.736
258 HD21 ASN 35 1HD2 ASN 35 -9.515 -10.605 -6.501
259 HD22 ASN 35 2HD2 ASN 35 -8.663 -10.671 -8.042
260 H ILE 36 H ILE 36 -10.155 -6.970 -9.374
261 HA ILE 36 HA ILE 36 -12.741 -8.171 -10.218
262 HB ILE 36 HB ILE 36 -12.359 -5.763 -10.746
263 HG12 ILE 36 1HG1 ILE 36 -12.554 -7.479 -13.234
264 HG13 ILE 36 2HG1 ILE 36 -13.848 -7.305 -12.041
265 HG21 ILE 36 1HG2 ILE 36 -9.885 -5.883 -11.168
266 HG22 ILE 36 2HG2 ILE 36 -10.218 -6.739 -12.688
267 HG23 ILE 36 3HG2 ILE 36 -10.770 -5.072 -12.453
268 HD11 ILE 36 3HD1 ILE 36 -12.664 -5.076 -13.752
269 HD12 ILE 36 1HD1 ILE 36 -14.268 -5.807 -13.899
270 HD13 ILE 36 2HD1 ILE 36 -13.874 -4.839 -12.466
271 H LEU 37 H LEU 37 -9.428 -8.812 -9.985
272 HA LEU 37 HA LEU 37 -9.286 -10.523 -12.417
273 HB2 LEU 37 1HB LEU 37 -7.094 -9.531 -10.557
274 HB3 LEU 37 2HB LEU 37 -6.857 -10.469 -12.022
275 HG LEU 37 HG LEU 37 -7.944 -7.623 -11.878
276 HD11 LEU 37 1HD1 LEU 37 -5.541 -7.831 -11.385
277 HD12 LEU 37 2HD1 LEU 37 -5.815 -7.032 -12.942
278 HD13 LEU 37 3HD1 LEU 37 -5.298 -8.735 -12.898
279 HD21 LEU 37 3HD2 LEU 37 -7.701 -7.641 -14.353
280 HD22 LEU 37 1HD2 LEU 37 -8.927 -8.789 -13.809
281 HD23 LEU 37 2HD2 LEU 37 -7.322 -9.378 -14.298
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 25.731 -1.074 -3.372
2 H2 GLY 1 2H GLY 1 25.291 0.242 -4.243
3 H3 GLY 1 3H GLY 1 24.416 -1.140 -4.346
4 HA2 GLY 1 1HA GLY 1 24.675 0.557 -1.945
5 HA3 GLY 1 2HA GLY 1 23.247 0.468 -2.994
6 H SER 2 H SER 2 22.083 -0.114 -1.025
7 HA SER 2 HA SER 2 22.606 -2.464 0.499
8 HB2 SER 2 1HB SER 2 19.968 -1.014 0.071
9 HB3 SER 2 2HB SER 2 20.343 -2.152 1.378
10 HG SER 2 HG SER 2 20.605 0.045 2.026
11 H SER 3 H SER 3 21.643 -4.501 0.545
12 HA SER 3 HA SER 3 20.793 -5.585 -2.055
13 HB2 SER 3 1HB SER 3 22.458 -6.732 -0.602
14 HB3 SER 3 2HB SER 3 21.174 -7.023 0.589
15 HG SER 3 HG SER 3 21.481 -8.790 -0.878
16 H GLY 4 H GLY 4 18.839 -6.515 -2.536
17 HA2 GLY 4 1HA GLY 4 16.581 -6.962 -2.487
18 HA3 GLY 4 2HA GLY 4 16.704 -7.057 -0.735
19 H SER 5 H SER 5 14.496 -6.226 -0.946
20 HA SER 5 HA SER 5 14.223 -3.305 -1.445
21 HB2 SER 5 1HB SER 5 12.089 -5.428 -1.098
22 HB3 SER 5 2HB SER 5 11.826 -3.729 -1.539
23 HG SER 5 HG SER 5 11.866 -5.118 -3.378
24 H SER 6 H SER 6 15.199 -4.851 1.170
25 HA SER 6 HA SER 6 13.378 -4.465 3.242
26 HB2 SER 6 1HB SER 6 16.407 -4.230 3.375
27 HB3 SER 6 2HB SER 6 15.316 -4.529 4.744
28 HG SER 6 HG SER 6 16.216 -6.476 3.901
29 H GLY 7 H GLY 7 12.517 -2.769 4.232
30 HA2 GLY 7 1HA GLY 7 12.247 -0.680 5.166
31 HA3 GLY 7 2HA GLY 7 13.909 -0.270 4.749
32 H HIS 8 H HIS 8 12.438 -1.239 1.862
33 HA HIS 8 HA HIS 8 12.039 1.541 0.985
34 HB2 HIS 8 1HB HIS 8 13.242 -0.254 -0.356
35 HB3 HIS 8 2HB HIS 8 11.666 -1.003 -0.622
36 HD1 HIS 8 1HD HIS 8 13.378 2.441 -1.275
37 HD2 HIS 8 2HD HIS 8 10.358 -0.115 -2.719
38 HE1 HIS 8 1HE HIS 8 12.494 3.515 -3.411
39 H LEU 9 H LEU 9 10.068 2.201 -0.180
40 HA LEU 9 HA LEU 9 7.665 1.316 1.295
41 HB2 LEU 9 1HB LEU 9 8.108 3.671 -0.559
42 HB3 LEU 9 2HB LEU 9 6.601 3.309 0.275
43 HG LEU 9 HG LEU 9 9.247 4.022 1.614
44 HD11 LEU 9 1HD1 LEU 9 8.079 6.082 2.255
45 HD12 LEU 9 2HD1 LEU 9 6.621 5.548 1.387
46 HD13 LEU 9 3HD1 LEU 9 8.114 5.909 0.493
47 HD21 LEU 9 3HD2 LEU 9 6.513 3.426 2.833
48 HD22 LEU 9 1HD2 LEU 9 7.870 4.179 3.702
49 HD23 LEU 9 2HD2 LEU 9 8.029 2.530 3.105
50 H TYR 10 H TYR 10 5.831 0.622 0.478
51 HA TYR 10 HA TYR 10 5.652 -0.271 -2.367
52 HB2 TYR 10 1HB TYR 10 4.436 -1.512 0.136
53 HB3 TYR 10 2HB TYR 10 4.173 -2.053 -1.514
54 HD1 TYR 10 1HD TYR 10 6.774 -1.718 1.154
55 HD2 TYR 10 2HD TYR 10 5.699 -3.531 -2.610
56 HE1 TYR 10 1HE TYR 10 8.718 -3.265 1.343
57 HE2 TYR 10 2HE TYR 10 7.627 -5.090 -2.410
58 HH TYR 10 HH TYR 10 9.392 -5.774 -1.131
59 H TYR 11 H TYR 11 3.762 0.315 -3.449
60 HA TYR 11 HA TYR 11 2.049 2.340 -2.057
61 HB2 TYR 11 1HB TYR 11 3.076 2.292 -4.910
62 HB3 TYR 11 2HB TYR 11 1.981 3.487 -4.237
63 HD1 TYR 11 1HD TYR 11 5.476 2.189 -4.121
64 HD2 TYR 11 2HD TYR 11 2.770 5.310 -2.869
65 HE1 TYR 11 1HE TYR 11 7.409 3.557 -3.369
66 HE2 TYR 11 2HE TYR 11 4.714 6.685 -2.121
67 HH TYR 11 HH TYR 11 8.096 5.557 -2.482
68 H CYS 12 H CYS 12 -0.101 2.474 -2.460
69 HA CYS 12 HA CYS 12 -1.537 0.133 -3.212
70 HB2 CYS 12 1HB CYS 12 -2.232 1.817 -1.560
71 HB3 CYS 12 2HB CYS 12 -2.435 3.011 -2.853
72 H SER 13 H SER 13 -3.014 -0.201 -4.865
73 HA SER 13 HA SER 13 -2.181 0.761 -7.538
74 HB2 SER 13 1HB SER 13 -3.576 -1.098 -8.359
75 HB3 SER 13 2HB SER 13 -2.328 -1.632 -7.221
76 HG SER 13 HG SER 13 -4.362 -2.582 -6.758
77 H GLN 14 H GLN 14 -4.630 1.498 -5.246
78 HA GLN 14 HA GLN 14 -6.347 2.741 -7.381
79 HB2 GLN 14 1HB GLN 14 -7.225 1.325 -4.843
80 HB3 GLN 14 2HB GLN 14 -8.283 2.244 -5.922
81 HG2 GLN 14 1HG GLN 14 -7.601 0.681 -7.801
82 HG3 GLN 14 2HG GLN 14 -6.753 -0.297 -6.599
83 HE21 GLN 14 1HE2 GLN 14 -8.277 -2.020 -7.434
84 HE22 GLN 14 2HE2 GLN 14 -9.884 -2.078 -6.720
85 H CYS 15 H CYS 15 -4.576 3.454 -4.496
86 HA CYS 15 HA CYS 15 -5.601 6.205 -4.596
87 HB2 CYS 15 1HB CYS 15 -6.199 6.375 -2.303
88 HB3 CYS 15 2HB CYS 15 -7.081 5.021 -2.985
89 H HIS 16 H HIS 16 -4.378 7.370 -2.547
90 HA HIS 16 HA HIS 16 -1.604 7.404 -3.469
91 HB2 HIS 16 1HB HIS 16 -3.267 9.377 -3.034
92 HB3 HIS 16 2HB HIS 16 -2.774 9.218 -1.354
93 HD1 HIS 16 1HD HIS 16 0.328 8.977 -1.608
94 HD2 HIS 16 2HD HIS 16 -2.089 11.433 -4.013
95 HE1 HIS 16 1HE HIS 16 1.859 10.829 -2.507
96 H TYR 17 H TYR 17 -3.038 5.522 -1.129
97 HA TYR 17 HA TYR 17 -1.363 5.831 1.150
98 HB2 TYR 17 1HB TYR 17 -3.494 4.662 1.204
99 HB3 TYR 17 2HB TYR 17 -2.886 3.435 0.097
100 HD1 TYR 17 1HD TYR 17 -2.712 4.722 3.574
101 HD2 TYR 17 2HD TYR 17 -1.447 1.636 0.839
102 HE1 TYR 17 1HE TYR 17 -1.924 3.342 5.492
103 HE2 TYR 17 2HE TYR 17 -0.648 0.262 2.763
104 HH TYR 17 HH TYR 17 -0.951 1.376 6.152
105 H SER 18 H SER 18 0.420 4.763 1.913
106 HA SER 18 HA SER 18 1.740 2.699 0.325
107 HB2 SER 18 1HB SER 18 3.943 3.758 0.381
108 HB3 SER 18 2HB SER 18 2.781 4.749 -0.516
109 HG SER 18 HG SER 18 3.998 6.047 0.892
110 H SER 19 H SER 19 3.338 1.507 1.476
111 HA SER 19 HA SER 19 3.546 1.886 4.406
112 HB2 SER 19 1HB SER 19 1.555 0.371 3.936
113 HB3 SER 19 2HB SER 19 2.702 -0.790 3.239
114 HG SER 19 HG SER 19 2.446 0.138 5.907
115 H ILE 20 H ILE 20 5.208 0.444 5.367
116 HA ILE 20 HA ILE 20 7.548 0.345 3.599
117 HB ILE 20 HB ILE 20 7.488 1.396 5.873
118 HG12 ILE 20 1HG1 ILE 20 9.710 -0.648 5.529
119 HG13 ILE 20 2HG1 ILE 20 9.559 0.833 4.577
120 HG21 ILE 20 1HG2 ILE 20 7.731 0.049 7.866
121 HG22 ILE 20 2HG2 ILE 20 6.272 -0.484 7.032
122 HG23 ILE 20 3HG2 ILE 20 7.758 -1.452 6.923
123 HD11 ILE 20 3HD1 ILE 20 9.945 0.669 7.594
124 HD12 ILE 20 1HD1 ILE 20 11.124 1.201 6.385
125 HD13 ILE 20 2HD1 ILE 20 9.672 2.175 6.682
126 H THR 21 H THR 21 5.172 -1.888 4.158
127 HA THR 21 HA THR 21 6.906 -3.955 2.972
128 HB THR 21 HB THR 21 6.083 -5.787 4.238
129 HG1 THR 21 1HG THR 21 4.782 -4.069 6.026
130 HG21 THR 21 3HG2 THR 21 8.055 -4.702 5.247
131 HG22 THR 21 1HG2 THR 21 7.014 -5.488 6.448
132 HG23 THR 21 2HG2 THR 21 6.985 -3.721 6.276
133 H LYS 22 H LYS 22 5.868 -5.375 1.580
134 HA LYS 22 HA LYS 22 3.291 -4.675 0.493
135 HB2 LYS 22 1HB LYS 22 3.504 -6.699 -0.838
136 HB3 LYS 22 2HB LYS 22 4.980 -5.745 -0.869
137 HG2 LYS 22 1HG LYS 22 6.020 -7.300 0.790
138 HG3 LYS 22 2HG LYS 22 4.533 -8.271 0.788
139 HD2 LYS 22 1HD LYS 22 4.819 -8.699 -1.640
140 HD3 LYS 22 2HD LYS 22 6.304 -7.722 -1.637
141 HE2 LYS 22 1HE LYS 22 7.318 -9.274 0.019
142 HE3 LYS 22 2HE LYS 22 5.840 -10.244 0.023
143 HZ1 LYS 22 3HZ LYS 22 7.586 -9.815 -2.346
144 HZ2 LYS 22 1HZ LYS 22 6.219 -10.712 -2.342
145 HZ3 LYS 22 2HZ LYS 22 7.510 -11.186 -1.466
146 H ASN 23 H ASN 23 4.214 -6.700 3.166
147 HA ASN 23 HA ASN 23 1.829 -8.284 3.376
148 HB2 ASN 23 1HB ASN 23 4.088 -8.774 4.387
149 HB3 ASN 23 2HB ASN 23 3.839 -7.450 5.527
150 HD21 ASN 23 1HD2 ASN 23 2.695 -10.680 4.543
151 HD22 ASN 23 2HD2 ASN 23 1.897 -11.010 6.070
152 H CYS 24 H CYS 24 2.784 -5.176 4.963
153 HA CYS 24 HA CYS 24 0.194 -4.765 6.210
154 HB2 CYS 24 1HB CYS 24 2.541 -2.940 5.570
155 HB3 CYS 24 2HB CYS 24 1.087 -2.395 6.424
156 HG CYS 24 HG CYS 24 3.024 -2.800 8.150
157 H LEU 25 H LEU 25 1.599 -3.627 3.075
158 HA LEU 25 HA LEU 25 -0.588 -2.099 2.291
159 HB2 LEU 25 1HB LEU 25 1.603 -2.117 1.160
160 HB3 LEU 25 2HB LEU 25 1.288 -3.755 0.578
161 HG LEU 25 HG LEU 25 -0.619 -2.936 -0.775
162 HD11 LEU 25 1HD1 LEU 25 -0.886 -0.493 -1.133
163 HD12 LEU 25 2HD1 LEU 25 0.262 -0.175 0.186
164 HD13 LEU 25 3HD1 LEU 25 -1.309 -0.954 0.510
165 HD21 LEU 25 3HD2 LEU 25 1.916 -1.347 -1.266
166 HD22 LEU 25 1HD2 LEU 25 0.689 -1.816 -2.463
167 HD23 LEU 25 2HD2 LEU 25 1.688 -3.059 -1.702
168 H LYS 26 H LYS 26 -0.142 -5.650 1.910
169 HA LYS 26 HA LYS 26 -2.499 -6.188 0.437
170 HB2 LYS 26 1HB LYS 26 -0.639 -7.790 0.926
171 HB3 LYS 26 2HB LYS 26 -1.233 -7.940 2.589
172 HG2 LYS 26 1HG LYS 26 -3.392 -8.821 1.732
173 HG3 LYS 26 2HG LYS 26 -2.846 -8.566 0.071
174 HD2 LYS 26 1HD LYS 26 -2.649 -10.900 0.593
175 HD3 LYS 26 2HD LYS 26 -1.019 -10.229 0.435
176 HE2 LYS 26 1HE LYS 26 -0.819 -10.105 2.904
177 HE3 LYS 26 2HE LYS 26 -2.481 -10.687 3.080
178 HZ1 LYS 26 3HZ LYS 26 -0.878 -12.496 3.344
179 HZ2 LYS 26 1HZ LYS 26 -0.260 -12.242 1.855
180 HZ3 LYS 26 2HZ LYS 26 -1.796 -12.774 2.025
181 H ARG 27 H ARG 27 -2.160 -5.830 3.992
182 HA ARG 27 HA ARG 27 -4.968 -6.324 4.546
183 HB2 ARG 27 1HB ARG 27 -2.749 -4.982 6.142
184 HB3 ARG 27 2HB ARG 27 -4.414 -5.079 6.726
185 HG2 ARG 27 1HG ARG 27 -4.389 -7.537 6.499
186 HG3 ARG 27 2HG ARG 27 -2.704 -7.485 5.964
187 HD2 ARG 27 1HD ARG 27 -3.690 -6.396 8.644
188 HD3 ARG 27 2HD ARG 27 -3.106 -8.039 8.431
189 HE ARG 27 HE ARG 27 -1.501 -5.606 8.584
190 HH11 ARG 27 2HH1 ARG 27 -1.416 -8.948 7.466
191 HH12 ARG 27 1HH1 ARG 27 0.340 -8.940 7.440
192 HH21 ARG 27 2HH2 ARG 27 0.770 -5.784 8.540
193 HH22 ARG 27 1HH2 ARG 27 1.463 -7.298 8.002
194 H HIS 28 H HIS 28 -3.251 -3.299 3.700
195 HA HIS 28 HA HIS 28 -5.563 -1.596 4.021
196 HB2 HIS 28 1HB HIS 28 -3.444 -0.550 3.770
197 HB3 HIS 28 2HB HIS 28 -3.079 -1.410 2.286
198 HD1 HIS 28 1HD HIS 28 -5.030 1.620 3.500
199 HD2 HIS 28 2HD HIS 28 -4.191 -0.532 -0.013
200 HE1 HIS 28 1HE HIS 28 -5.811 3.091 1.589
201 H VAL 29 H VAL 29 -4.376 -3.454 1.163
202 HA VAL 29 HA VAL 29 -6.529 -2.674 -0.555
203 HB VAL 29 HB VAL 29 -4.702 -5.099 -0.669
204 HG11 VAL 29 1HG1 VAL 29 -6.513 -3.925 -2.820
205 HG12 VAL 29 2HG1 VAL 29 -5.281 -5.175 -3.082
206 HG13 VAL 29 3HG1 VAL 29 -6.682 -5.532 -2.072
207 HG21 VAL 29 3HG2 VAL 29 -4.632 -2.436 -2.174
208 HG22 VAL 29 1HG2 VAL 29 -3.544 -2.877 -0.848
209 HG23 VAL 29 2HG2 VAL 29 -3.487 -3.780 -2.359
210 H ILE 30 H ILE 30 -6.264 -5.509 1.622
211 HA ILE 30 HA ILE 30 -8.777 -6.689 0.955
212 HB ILE 30 HB ILE 30 -7.099 -6.760 3.474
213 HG12 ILE 30 1HG1 ILE 30 -7.633 -8.929 1.393
214 HG13 ILE 30 2HG1 ILE 30 -6.288 -7.817 1.250
215 HG21 ILE 30 1HG2 ILE 30 -8.476 -8.709 4.203
216 HG22 ILE 30 2HG2 ILE 30 -9.437 -7.248 4.149
217 HG23 ILE 30 3HG2 ILE 30 -9.575 -8.437 2.837
218 HD11 ILE 30 3HD1 ILE 30 -5.392 -8.607 3.444
219 HD12 ILE 30 1HD1 ILE 30 -6.691 -9.825 3.505
220 HD13 ILE 30 2HD1 ILE 30 -5.494 -9.880 2.209
221 H GLN 31 H GLN 31 -8.022 -4.165 3.403
222 HA GLN 31 HA GLN 31 -10.780 -4.064 4.342
223 HB2 GLN 31 1HB GLN 31 -8.182 -2.711 4.988
224 HB3 GLN 31 2HB GLN 31 -9.637 -1.822 5.368
225 HG2 GLN 31 1HG GLN 31 -8.763 -3.192 7.258
226 HG3 GLN 31 2HG GLN 31 -10.459 -3.439 6.857
227 HE21 GLN 31 1HE2 GLN 31 -7.285 -4.932 5.807
228 HE22 GLN 31 2HE2 GLN 31 -7.879 -6.568 6.086
229 H LYS 32 H LYS 32 -8.911 -2.053 2.064
230 HA LYS 32 HA LYS 32 -11.187 -0.128 1.910
231 HB2 LYS 32 1HB LYS 32 -8.303 0.141 0.988
232 HB3 LYS 32 2HB LYS 32 -9.509 1.414 0.985
233 HG2 LYS 32 1HG LYS 32 -8.284 0.057 3.422
234 HG3 LYS 32 2HG LYS 32 -8.006 1.698 2.865
235 HD2 LYS 32 1HD LYS 32 -10.609 0.611 4.021
236 HD3 LYS 32 2HD LYS 32 -9.451 1.672 4.823
237 HE2 LYS 32 1HE LYS 32 -9.860 3.430 3.106
238 HE3 LYS 32 2HE LYS 32 -11.049 2.383 2.320
239 HZ1 LYS 32 3HZ LYS 32 -12.363 2.442 4.376
240 HZ2 LYS 32 1HZ LYS 32 -12.121 3.957 3.822
241 HZ3 LYS 32 2HZ LYS 32 -11.265 3.414 5.100
242 H HIS 33 H HIS 33 -9.628 -2.446 -0.214
243 HA HIS 33 HA HIS 33 -11.121 -1.240 -2.530
244 HB2 HIS 33 1HB HIS 33 -8.326 -2.414 -2.484
245 HB3 HIS 33 2HB HIS 33 -9.157 -1.781 -3.900
246 HD1 HIS 33 1HD HIS 33 -10.078 1.005 -3.228
247 HD2 HIS 33 2HD HIS 33 -6.622 -0.705 -1.573
248 HE1 HIS 33 1HE HIS 33 -8.696 2.953 -2.357
249 H SER 34 H SER 34 -10.453 -4.252 -0.892
250 HA SER 34 HA SER 34 -11.262 -5.928 -3.155
251 HB2 SER 34 1HB SER 34 -10.873 -6.625 -0.228
252 HB3 SER 34 2HB SER 34 -11.132 -7.778 -1.549
253 HG SER 34 HG SER 34 -8.990 -5.906 -1.356
254 H ASN 35 H ASN 35 -13.137 -7.173 -3.351
255 HA ASN 35 HA ASN 35 -15.421 -6.725 -1.549
256 HB2 ASN 35 1HB ASN 35 -16.904 -5.945 -3.330
257 HB3 ASN 35 2HB ASN 35 -15.559 -4.834 -3.132
258 HD21 ASN 35 1HD2 ASN 35 -16.987 -7.313 -5.297
259 HD22 ASN 35 2HD2 ASN 35 -16.012 -6.820 -6.676
260 H ILE 36 H ILE 36 -17.231 -8.102 -1.970
261 HA ILE 36 HA ILE 36 -16.574 -10.747 -3.057
262 HB ILE 36 HB ILE 36 -18.645 -11.497 -2.240
263 HG12 ILE 36 1HG1 ILE 36 -20.210 -9.759 -2.784
264 HG13 ILE 36 2HG1 ILE 36 -20.331 -10.208 -1.098
265 HG21 ILE 36 1HG2 ILE 36 -18.405 -11.131 0.146
266 HG22 ILE 36 2HG2 ILE 36 -16.824 -11.294 -0.631
267 HG23 ILE 36 3HG2 ILE 36 -17.402 -9.696 -0.129
268 HD11 ILE 36 3HD1 ILE 36 -20.620 -7.830 -1.300
269 HD12 ILE 36 1HD1 ILE 36 -19.082 -8.115 -0.474
270 HD13 ILE 36 2HD1 ILE 36 -19.111 -7.643 -2.196
271 H LEU 37 H LEU 37 -18.123 -11.844 -4.519
272 HA LEU 37 HA LEU 37 -19.190 -10.086 -6.690
273 HB2 LEU 37 1HB LEU 37 -17.684 -12.719 -6.963
274 HB3 LEU 37 2HB LEU 37 -18.460 -11.859 -8.283
275 HG LEU 37 HG LEU 37 -16.102 -10.802 -6.658
276 HD11 LEU 37 1HD1 LEU 37 -16.259 -11.917 -9.490
277 HD12 LEU 37 2HD1 LEU 37 -15.531 -12.729 -8.086
278 HD13 LEU 37 3HD1 LEU 37 -14.816 -11.232 -8.706
279 HD21 LEU 37 3HD2 LEU 37 -15.951 -9.097 -8.455
280 HD22 LEU 37 1HD2 LEU 37 -17.468 -8.956 -7.560
281 HD23 LEU 37 2HD2 LEU 37 -17.459 -9.713 -9.167