Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504765 | 2en0 RC | 10229 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -8.878 -15.723 7.512
2 HA2 GLY 1 1HA GLY 1 -7.654 -16.180 5.577
3 HA3 GLY 1 2HA GLY 1 -9.161 -16.305 4.681
4 H SER 2 H SER 2 -10.356 -13.917 5.059
5 HA SER 2 HA SER 2 -9.067 -12.246 3.236
6 HB2 SER 2 1HB SER 2 -10.750 -10.566 3.833
7 HB3 SER 2 2HB SER 2 -11.490 -12.160 3.689
8 HG SER 2 HG SER 2 -10.584 -11.241 6.188
9 H SER 3 H SER 3 -7.720 -10.525 3.406
10 HA SER 3 HA SER 3 -5.925 -10.323 5.493
11 HB2 SER 3 1HB SER 3 -5.380 -8.051 4.547
12 HB3 SER 3 2HB SER 3 -5.390 -9.355 3.360
13 HG SER 3 HG SER 3 -7.754 -8.597 3.170
14 H GLY 4 H GLY 4 -8.944 -8.557 4.990
15 HA2 GLY 4 1HA GLY 4 -9.506 -8.185 7.685
16 HA3 GLY 4 2HA GLY 4 -8.617 -6.761 7.164
17 H SER 5 H SER 5 -11.479 -8.724 6.479
18 HA SER 5 HA SER 5 -12.679 -6.467 5.050
19 HB2 SER 5 1HB SER 5 -12.735 -8.777 4.053
20 HB3 SER 5 2HB SER 5 -13.790 -9.262 5.380
21 HG SER 5 HG SER 5 -14.479 -8.108 3.114
22 H SER 6 H SER 6 -12.360 -6.044 7.759
23 HA SER 6 HA SER 6 -15.100 -5.625 8.560
24 HB2 SER 6 1HB SER 6 -14.332 -7.977 9.371
25 HB3 SER 6 2HB SER 6 -13.383 -7.078 10.554
26 HG SER 6 HG SER 6 -16.114 -6.505 10.206
27 H GLY 7 H GLY 7 -15.104 -3.564 9.147
28 HA2 GLY 7 1HA GLY 7 -14.330 -2.169 11.127
29 HA3 GLY 7 2HA GLY 7 -12.717 -2.489 10.509
30 H GLN 8 H GLN 8 -14.488 -0.008 10.849
31 HA GLN 8 HA GLN 8 -14.908 0.974 8.196
32 HB2 GLN 8 1HB GLN 8 -15.250 3.173 9.379
33 HB3 GLN 8 2HB GLN 8 -16.302 1.865 9.907
34 HG2 GLN 8 1HG GLN 8 -13.761 2.330 11.377
35 HG3 GLN 8 2HG GLN 8 -15.105 3.442 11.628
36 HE21 GLN 8 1HE2 GLN 8 -14.442 2.244 13.805
37 HE22 GLN 8 2HE2 GLN 8 -15.488 0.930 14.209
38 H LYS 9 H LYS 9 -13.417 1.717 6.855
39 HA LYS 9 HA LYS 9 -10.974 2.916 7.982
40 HB2 LYS 9 1HB LYS 9 -11.162 1.167 5.522
41 HB3 LYS 9 2HB LYS 9 -9.704 1.957 6.106
42 HG2 LYS 9 1HG LYS 9 -9.647 0.596 8.053
43 HG3 LYS 9 2HG LYS 9 -11.255 -0.052 7.719
44 HD2 LYS 9 1HD LYS 9 -10.285 -0.969 5.564
45 HD3 LYS 9 2HD LYS 9 -8.696 -0.554 6.213
46 HE2 LYS 9 1HE LYS 9 -8.840 -2.709 6.940
47 HE3 LYS 9 2HE LYS 9 -9.610 -1.899 8.303
48 HZ1 LYS 9 3HZ LYS 9 -11.260 -3.337 7.924
49 HZ2 LYS 9 1HZ LYS 9 -10.743 -3.696 6.354
50 HZ3 LYS 9 2HZ LYS 9 -11.683 -2.320 6.641
51 HA PRO 10 HA PRO 10 -12.870 6.129 5.357
52 HB2 PRO 10 1HB PRO 10 -11.774 8.192 6.741
53 HB3 PRO 10 2HB PRO 10 -13.257 7.376 7.248
54 HG2 PRO 10 1HG PRO 10 -10.455 6.996 8.231
55 HG3 PRO 10 2HG PRO 10 -11.963 7.090 9.159
56 HD2 PRO 10 1HD PRO 10 -10.753 4.738 8.579
57 HD3 PRO 10 2HD PRO 10 -12.516 4.895 8.723
58 H TYR 11 H TYR 11 -9.533 5.942 6.546
59 HA TYR 11 HA TYR 11 -8.463 7.606 4.487
60 HB2 TYR 11 1HB TYR 11 -6.956 5.610 6.180
61 HB3 TYR 11 2HB TYR 11 -6.306 7.030 5.368
62 HD1 TYR 11 HD1 TYR 11 -8.442 5.893 8.161
63 HD2 TYR 11 HD2 TYR 11 -6.405 9.179 6.384
64 HE1 TYR 11 HE1 TYR 11 -8.818 7.220 10.198
65 HE2 TYR 11 HE2 TYR 11 -6.774 10.514 8.416
66 HH TYR 11 HH TYR 11 -8.610 10.428 10.366
67 H VAL 12 H VAL 12 -8.970 6.847 2.474
68 HA VAL 12 HA VAL 12 -8.107 4.118 1.793
69 HB VAL 12 HB VAL 12 -9.979 5.965 0.305
70 HG11 VAL 12 1HG1 VAL 12 -8.815 4.613 -1.286
71 HG12 VAL 12 2HG1 VAL 12 -9.049 3.164 -0.305
72 HG13 VAL 12 3HG1 VAL 12 -10.431 3.938 -1.082
73 HG21 VAL 12 3HG2 VAL 12 -10.856 4.988 2.424
74 HG22 VAL 12 1HG2 VAL 12 -11.738 4.484 0.983
75 HG23 VAL 12 2HG2 VAL 12 -10.587 3.384 1.741
76 H CYS 13 H CYS 13 -6.622 3.747 0.212
77 HA CYS 13 HA CYS 13 -4.916 5.941 -0.523
78 HB2 CYS 13 1HB CYS 13 -4.296 3.450 0.016
79 HB3 CYS 13 2HB CYS 13 -4.650 3.193 -1.689
80 H ASN 14 H ASN 14 -5.010 7.119 -2.316
81 HA ASN 14 HA ASN 14 -6.989 6.497 -4.333
82 HB2 ASN 14 1HB ASN 14 -5.114 8.836 -3.950
83 HB3 ASN 14 2HB ASN 14 -6.212 8.696 -5.319
84 HD21 ASN 14 1HD2 ASN 14 -5.968 10.500 -2.872
85 HD22 ASN 14 2HD2 ASN 14 -7.576 10.545 -2.240
86 H GLU 15 H GLU 15 -3.907 5.509 -3.829
87 HA GLU 15 HA GLU 15 -3.034 5.637 -6.604
88 HB2 GLU 15 1HB GLU 15 -1.755 4.760 -4.036
89 HB3 GLU 15 2HB GLU 15 -1.059 4.286 -5.579
90 HG2 GLU 15 1HG GLU 15 0.115 6.197 -5.076
91 HG3 GLU 15 2HG GLU 15 -1.159 6.808 -6.130
92 H CYS 16 H CYS 16 -3.854 3.189 -4.169
93 HA CYS 16 HA CYS 16 -4.201 1.251 -6.363
94 HB2 CYS 16 1HB CYS 16 -3.675 -0.523 -4.710
95 HB3 CYS 16 2HB CYS 16 -2.332 0.587 -4.964
96 H GLY 17 H GLY 17 -5.392 2.367 -3.226
97 HA2 GLY 17 1HA GLY 17 -7.820 2.672 -3.041
98 HA3 GLY 17 2HA GLY 17 -7.998 1.149 -3.900
99 H LYS 18 H LYS 18 -5.571 1.554 -1.436
100 HA LYS 18 HA LYS 18 -6.846 -0.532 0.137
101 HB2 LYS 18 1HB LYS 18 -4.294 -0.247 -0.476
102 HB3 LYS 18 2HB LYS 18 -4.288 0.783 0.950
103 HG2 LYS 18 1HG LYS 18 -4.814 -0.977 2.377
104 HG3 LYS 18 2HG LYS 18 -5.408 -1.991 1.060
105 HD2 LYS 18 1HD LYS 18 -3.154 -2.260 0.210
106 HD3 LYS 18 2HD LYS 18 -2.531 -1.163 1.445
107 HE2 LYS 18 1HE LYS 18 -2.996 -2.695 3.178
108 HE3 LYS 18 2HE LYS 18 -4.015 -3.685 2.134
109 HZ1 LYS 18 3HZ LYS 18 -2.230 -4.917 1.751
110 HZ2 LYS 18 1HZ LYS 18 -1.214 -3.834 2.562
111 HZ3 LYS 18 2HZ LYS 18 -1.544 -3.614 0.918
112 H ALA 19 H ALA 19 -7.909 -0.221 1.992
113 HA ALA 19 HA ALA 19 -8.110 2.513 3.017
114 HB1 ALA 19 3HB ALA 19 -10.183 1.967 3.878
115 HB2 ALA 19 1HB ALA 19 -10.119 0.984 2.415
116 HB3 ALA 19 2HB ALA 19 -9.802 0.249 3.987
117 H PHE 20 H PHE 20 -7.650 3.069 5.118
118 HA PHE 20 HA PHE 20 -6.525 0.982 6.854
119 HB2 PHE 20 1HB PHE 20 -5.277 3.705 6.428
120 HB3 PHE 20 2HB PHE 20 -4.669 2.426 7.474
121 HD1 PHE 20 HD1 PHE 20 -5.351 3.291 3.939
122 HD2 PHE 20 HD2 PHE 20 -3.240 0.774 6.644
123 HE1 PHE 20 HE1 PHE 20 -4.021 2.403 2.069
124 HE2 PHE 20 HE2 PHE 20 -1.905 -0.117 4.779
125 HZ PHE 20 HZ PHE 20 -2.294 0.698 2.488
126 H GLY 21 H GLY 21 -7.760 0.927 8.609
127 HA2 GLY 21 1HA GLY 21 -9.629 2.743 9.447
128 HA3 GLY 21 2HA GLY 21 -8.799 1.641 10.536
129 H LEU 22 H LEU 22 -6.222 3.083 9.657
130 HA LEU 22 HA LEU 22 -6.561 5.406 11.437
131 HB2 LEU 22 1HB LEU 22 -4.478 3.305 11.282
132 HB3 LEU 22 2HB LEU 22 -3.938 4.945 11.639
133 HG LEU 22 HG LEU 22 -5.938 3.358 13.248
134 HD11 LEU 22 1HD1 LEU 22 -3.654 2.506 13.445
135 HD12 LEU 22 2HD1 LEU 22 -4.193 3.271 14.939
136 HD13 LEU 22 3HD1 LEU 22 -3.087 4.123 13.862
137 HD21 LEU 22 3HD2 LEU 22 -4.977 6.174 13.364
138 HD22 LEU 22 1HD2 LEU 22 -5.314 5.326 14.873
139 HD23 LEU 22 2HD2 LEU 22 -6.586 5.515 13.666
140 H LYS 23 H LYS 23 -5.167 7.236 11.026
141 HA LYS 23 HA LYS 23 -5.016 7.866 8.247
142 HB2 LYS 23 1HB LYS 23 -5.532 9.508 10.076
143 HB3 LYS 23 2HB LYS 23 -3.844 9.414 10.562
144 HG2 LYS 23 1HG LYS 23 -3.115 10.375 8.516
145 HG3 LYS 23 2HG LYS 23 -4.725 10.235 7.807
146 HD2 LYS 23 1HD LYS 23 -5.595 11.924 9.217
147 HD3 LYS 23 2HD LYS 23 -4.172 11.886 10.262
148 HE2 LYS 23 1HE LYS 23 -2.807 12.822 8.506
149 HE3 LYS 23 2HE LYS 23 -4.151 12.737 7.368
150 HZ1 LYS 23 3HZ LYS 23 -4.727 14.759 8.014
151 HZ2 LYS 23 1HZ LYS 23 -3.514 14.788 9.193
152 HZ3 LYS 23 2HZ LYS 23 -5.044 14.173 9.569
153 H SER 24 H SER 24 -2.453 7.947 10.730
154 HA SER 24 HA SER 24 -0.268 8.170 9.107
155 HB2 SER 24 1HB SER 24 -0.712 6.898 11.769
156 HB3 SER 24 2HB SER 24 0.829 6.609 10.963
157 HG SER 24 HG SER 24 1.287 8.740 11.043
158 H GLN 25 H GLN 25 -2.062 5.234 9.879
159 HA GLN 25 HA GLN 25 -0.383 3.302 8.859
160 HB2 GLN 25 1HB GLN 25 -3.394 3.479 8.826
161 HB3 GLN 25 2HB GLN 25 -2.519 2.044 8.308
162 HG2 GLN 25 1HG GLN 25 -2.450 3.288 11.048
163 HG3 GLN 25 2HG GLN 25 -3.274 1.799 10.588
164 HE21 GLN 25 1HE2 GLN 25 -0.787 2.783 12.274
165 HE22 GLN 25 2HE2 GLN 25 0.364 1.533 11.963
166 H LEU 26 H LEU 26 -2.649 5.385 7.123
167 HA LEU 26 HA LEU 26 -2.153 4.161 4.580
168 HB2 LEU 26 1HB LEU 26 -4.262 5.188 4.877
169 HB3 LEU 26 2HB LEU 26 -3.531 6.693 5.430
170 HG LEU 26 HG LEU 26 -2.594 6.926 3.077
171 HD11 LEU 26 1HD1 LEU 26 -3.900 4.381 2.838
172 HD12 LEU 26 2HD1 LEU 26 -2.858 5.218 1.689
173 HD13 LEU 26 3HD1 LEU 26 -4.593 5.534 1.698
174 HD21 LEU 26 3HD2 LEU 26 -5.518 6.992 2.785
175 HD22 LEU 26 1HD2 LEU 26 -4.325 8.278 2.601
176 HD23 LEU 26 2HD2 LEU 26 -4.886 7.820 4.209
177 H ILE 27 H ILE 27 -1.026 7.066 6.246
178 HA ILE 27 HA ILE 27 0.365 8.294 4.188
179 HB ILE 27 HB ILE 27 1.364 8.191 7.029
180 HG12 ILE 27 1HG1 ILE 27 -0.913 9.775 5.837
181 HG13 ILE 27 2HG1 ILE 27 -0.964 8.689 7.222
182 HG21 ILE 27 1HG2 ILE 27 1.476 10.388 4.968
183 HG22 ILE 27 2HG2 ILE 27 2.226 10.393 6.563
184 HG23 ILE 27 3HG2 ILE 27 2.795 9.274 5.326
185 HD11 ILE 27 3HD1 ILE 27 0.879 10.512 8.031
186 HD12 ILE 27 1HD1 ILE 27 -0.208 11.506 7.062
187 HD13 ILE 27 2HD1 ILE 27 -0.841 10.569 8.416
188 H ILE 28 H ILE 28 1.448 5.742 6.397
189 HA ILE 28 HA ILE 28 4.100 5.615 5.399
190 HB ILE 28 HB ILE 28 2.522 3.475 6.832
191 HG12 ILE 28 1HG1 ILE 28 4.586 5.181 8.155
192 HG13 ILE 28 2HG1 ILE 28 2.990 5.869 7.873
193 HG21 ILE 28 1HG2 ILE 28 4.957 2.866 7.529
194 HG22 ILE 28 2HG2 ILE 28 4.329 2.334 5.970
195 HG23 ILE 28 3HG2 ILE 28 5.394 3.737 6.059
196 HD11 ILE 28 3HD1 ILE 28 3.664 3.426 9.487
197 HD12 ILE 28 1HD1 ILE 28 3.044 4.968 10.074
198 HD13 ILE 28 2HD1 ILE 28 2.021 3.925 9.086
199 H HIS 29 H HIS 29 1.099 4.004 4.539
200 HA HIS 29 HA HIS 29 2.254 2.051 2.832
201 HB2 HIS 29 1HB HIS 29 0.045 1.662 3.672
202 HB3 HIS 29 2HB HIS 29 -0.539 3.188 3.015
203 HD1 HIS 29 HD1 HIS 29 0.579 -0.241 1.896
204 HD2 HIS 29 HD2 HIS 29 -1.453 3.072 0.428
205 HE1 HIS 29 HE1 HIS 29 -0.366 -0.960 -0.321
206 H GLU 30 H GLU 30 0.583 5.122 2.134
207 HA GLU 30 HA GLU 30 0.760 5.168 -0.596
208 HB2 GLU 30 1HB GLU 30 1.171 7.504 1.279
209 HB3 GLU 30 2HB GLU 30 0.792 7.633 -0.432
210 HG2 GLU 30 1HG GLU 30 -1.368 6.757 -0.130
211 HG3 GLU 30 2HG GLU 30 -0.993 6.186 1.495
212 H ARG 31 H ARG 31 3.331 5.393 1.682
213 HA ARG 31 HA ARG 31 5.276 6.768 0.251
214 HB2 ARG 31 1HB ARG 31 5.597 4.428 2.139
215 HB3 ARG 31 2HB ARG 31 6.917 5.448 1.581
216 HG2 ARG 31 1HG ARG 31 5.907 7.379 2.652
217 HG3 ARG 31 2HG ARG 31 4.541 6.391 3.171
218 HD2 ARG 31 1HD ARG 31 6.020 6.602 5.027
219 HD3 ARG 31 2HD ARG 31 6.165 4.954 4.418
220 HE ARG 31 HE ARG 31 8.360 5.375 3.982
221 HH11 ARG 31 1HH1 ARG 31 6.670 8.412 4.181
222 HH12 ARG 31 2HH1 ARG 31 8.105 9.370 4.027
223 HH21 ARG 31 1HH2 ARG 31 10.257 6.626 3.779
224 HH22 ARG 31 2HH2 ARG 31 10.145 8.353 3.798
225 H ILE 32 H ILE 32 4.198 3.435 -0.015
226 HA ILE 32 HA ILE 32 6.235 2.346 -1.543
227 HB ILE 32 HB ILE 32 4.704 0.681 -2.274
228 HG12 ILE 32 1HG1 ILE 32 2.451 2.532 -1.467
229 HG13 ILE 32 2HG1 ILE 32 2.974 2.257 -3.124
230 HG21 ILE 32 1HG2 ILE 32 4.654 1.636 0.460
231 HG22 ILE 32 2HG2 ILE 32 3.199 0.729 0.050
232 HG23 ILE 32 3HG2 ILE 32 4.786 -0.010 -0.159
233 HD11 ILE 32 3HD1 ILE 32 2.522 -0.251 -2.508
234 HD12 ILE 32 1HD1 ILE 32 1.478 0.471 -1.284
235 HD13 ILE 32 2HD1 ILE 32 1.209 0.822 -2.991
236 H HIS 33 H HIS 33 3.658 4.515 -2.481
237 HA HIS 33 HA HIS 33 4.266 4.238 -5.309
238 HB2 HIS 33 1HB HIS 33 2.360 6.178 -3.991
239 HB3 HIS 33 2HB HIS 33 2.405 5.719 -5.691
240 HD1 HIS 33 HD1 HIS 33 1.960 2.987 -6.032
241 HD2 HIS 33 HD2 HIS 33 0.509 4.804 -2.588
242 HE1 HIS 33 HE1 HIS 33 0.180 1.442 -5.155
243 H THR 34 H THR 34 4.540 6.671 -2.752
244 HA THR 34 HA THR 34 5.403 8.865 -4.125
245 HB THR 34 HB THR 34 6.599 9.578 -2.154
246 HG1 THR 34 HG1 THR 34 7.727 8.066 -1.193
247 HG21 THR 34 3HG2 THR 34 4.307 7.912 -1.140
248 HG22 THR 34 1HG2 THR 34 4.059 9.353 -2.127
249 HG23 THR 34 2HG2 THR 34 4.860 9.483 -0.561
250 H GLY 35 H GLY 35 7.338 6.046 -3.197
251 HA2 GLY 35 1HA GLY 35 9.023 6.038 -5.368
252 HA3 GLY 35 2HA GLY 35 9.792 7.112 -4.210
253 H GLU 36 H GLU 36 9.619 3.982 -5.268
254 HA GLU 36 HA GLU 36 10.432 2.875 -2.667
255 HB2 GLU 36 1HB GLU 36 8.520 1.825 -3.994
256 HB3 GLU 36 2HB GLU 36 9.745 1.290 -5.137
257 HG2 GLU 36 1HG GLU 36 10.030 0.650 -2.236
258 HG3 GLU 36 2HG GLU 36 8.948 -0.300 -3.253
259 H SER 37 H SER 37 12.572 3.121 -2.444
260 HA SER 37 HA SER 37 14.799 3.306 -3.050
261 HB2 SER 37 1HB SER 37 15.742 1.116 -3.505
262 HB3 SER 37 2HB SER 37 14.419 0.944 -2.352
263 HG SER 37 HG SER 37 13.105 0.493 -4.312
264 H GLY 38 H GLY 38 13.248 4.530 -5.027
265 HA2 GLY 38 1HA GLY 38 14.154 5.497 -7.032
266 HA3 GLY 38 2HA GLY 38 14.901 3.948 -7.394
267 HA PRO 39 HA PRO 39 10.806 4.519 -9.685
268 HB2 PRO 39 1HB PRO 39 11.840 4.633 -12.192
269 HB3 PRO 39 2HB PRO 39 11.588 6.067 -11.191
270 HG2 PRO 39 1HG PRO 39 14.101 4.516 -11.680
271 HG3 PRO 39 2HG PRO 39 13.863 6.272 -11.629
272 HD2 PRO 39 1HD PRO 39 14.886 4.880 -9.545
273 HD3 PRO 39 2HD PRO 39 13.895 6.336 -9.325
274 H SER 40 H SER 40 9.961 2.526 -9.613
275 HA SER 40 HA SER 40 11.032 0.089 -9.728
276 HB2 SER 40 1HB SER 40 8.921 -0.735 -10.810
277 HB3 SER 40 2HB SER 40 8.652 0.347 -9.444
278 HG SER 40 HG SER 40 7.361 0.813 -11.335
279 H SER 41 H SER 41 10.098 1.900 -12.646
280 HA SER 41 HA SER 41 11.012 -0.021 -14.493
281 HB2 SER 41 1HB SER 41 10.352 2.899 -14.650
282 HB3 SER 41 2HB SER 41 11.134 2.113 -16.021
283 HG SER 41 HG SER 41 9.337 1.104 -16.461
284 H GLY 42 H GLY 42 13.055 -0.755 -14.340
285 HA2 GLY 42 1HA GLY 42 15.222 0.482 -15.398
286 HA3 GLY 42 2HA GLY 42 15.258 1.006 -13.721
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -16.865 -15.431 13.178
2 HA2 GLY 1 1HA GLY 1 -17.240 -16.831 10.604
3 HA3 GLY 1 2HA GLY 1 -18.529 -16.521 11.758
4 H SER 2 H SER 2 -19.653 -15.593 9.914
5 HA SER 2 HA SER 2 -18.645 -12.962 9.089
6 HB2 SER 2 1HB SER 2 -19.299 -14.619 7.322
7 HB3 SER 2 2HB SER 2 -20.957 -14.525 7.917
8 HG SER 2 HG SER 2 -20.191 -13.078 6.087
9 H SER 3 H SER 3 -19.200 -11.969 11.109
10 HA SER 3 HA SER 3 -22.094 -11.515 11.432
11 HB2 SER 3 1HB SER 3 -20.803 -12.694 13.323
12 HB3 SER 3 2HB SER 3 -20.066 -11.120 13.626
13 HG SER 3 HG SER 3 -22.434 -10.425 13.605
14 H GLY 4 H GLY 4 -20.664 -10.032 9.575
15 HA2 GLY 4 1HA GLY 4 -20.713 -7.786 8.966
16 HA3 GLY 4 2HA GLY 4 -21.073 -7.369 10.635
17 H SER 5 H SER 5 -18.357 -9.114 9.132
18 HA SER 5 HA SER 5 -16.483 -7.650 10.770
19 HB2 SER 5 1HB SER 5 -16.259 -9.904 8.796
20 HB3 SER 5 2HB SER 5 -14.813 -9.051 9.339
21 HG SER 5 HG SER 5 -15.812 -11.022 10.553
22 H SER 6 H SER 6 -17.781 -5.837 9.232
23 HA SER 6 HA SER 6 -15.927 -5.192 7.043
24 HB2 SER 6 1HB SER 6 -18.697 -4.106 7.609
25 HB3 SER 6 2HB SER 6 -17.686 -3.665 6.232
26 HG SER 6 HG SER 6 -19.374 -5.446 6.049
27 H GLY 7 H GLY 7 -14.337 -4.464 8.616
28 HA2 GLY 7 1HA GLY 7 -14.711 -2.458 10.502
29 HA3 GLY 7 2HA GLY 7 -13.197 -2.770 9.665
30 H GLN 8 H GLN 8 -14.200 -0.214 10.488
31 HA GLN 8 HA GLN 8 -14.972 1.074 7.979
32 HB2 GLN 8 1HB GLN 8 -15.367 3.069 9.352
33 HB3 GLN 8 2HB GLN 8 -16.252 1.679 9.967
34 HG2 GLN 8 1HG GLN 8 -14.462 1.349 11.649
35 HG3 GLN 8 2HG GLN 8 -13.708 2.837 11.079
36 HE21 GLN 8 1HE2 GLN 8 -13.988 4.248 12.669
37 HE22 GLN 8 2HE2 GLN 8 -15.497 4.636 13.413
38 H LYS 9 H LYS 9 -13.473 1.904 6.699
39 HA LYS 9 HA LYS 9 -11.040 3.031 7.901
40 HB2 LYS 9 1HB LYS 9 -11.159 1.214 5.488
41 HB3 LYS 9 2HB LYS 9 -9.728 2.099 6.000
42 HG2 LYS 9 1HG LYS 9 -9.880 0.882 8.189
43 HG3 LYS 9 2HG LYS 9 -11.135 -0.121 7.458
44 HD2 LYS 9 1HD LYS 9 -9.284 -0.375 5.567
45 HD3 LYS 9 2HD LYS 9 -8.214 -0.034 6.928
46 HE2 LYS 9 1HE LYS 9 -8.748 -1.977 8.012
47 HE3 LYS 9 2HE LYS 9 -10.361 -2.057 7.303
48 HZ1 LYS 9 3HZ LYS 9 -8.880 -2.383 5.133
49 HZ2 LYS 9 1HZ LYS 9 -9.394 -3.677 6.095
50 HZ3 LYS 9 2HZ LYS 9 -7.831 -3.058 6.275
51 HA PRO 10 HA PRO 10 -12.832 6.247 5.230
52 HB2 PRO 10 1HB PRO 10 -11.680 8.299 6.583
53 HB3 PRO 10 2HB PRO 10 -13.178 7.523 7.109
54 HG2 PRO 10 1HG PRO 10 -10.379 7.090 8.078
55 HG3 PRO 10 2HG PRO 10 -11.878 7.228 9.015
56 HD2 PRO 10 1HD PRO 10 -10.726 4.843 8.453
57 HD3 PRO 10 2HD PRO 10 -12.483 5.042 8.606
58 H TYR 11 H TYR 11 -9.491 6.022 6.409
59 HA TYR 11 HA TYR 11 -8.405 7.625 4.310
60 HB2 TYR 11 1HB TYR 11 -6.938 5.651 6.066
61 HB3 TYR 11 2HB TYR 11 -6.247 7.012 5.190
62 HD1 TYR 11 HD1 TYR 11 -8.356 6.050 8.058
63 HD2 TYR 11 HD2 TYR 11 -6.326 9.226 6.086
64 HE1 TYR 11 HE1 TYR 11 -8.682 7.477 10.035
65 HE2 TYR 11 HE2 TYR 11 -6.645 10.662 8.057
66 HH TYR 11 HH TYR 11 -7.557 10.846 10.072
67 H VAL 12 H VAL 12 -8.886 6.845 2.307
68 HA VAL 12 HA VAL 12 -8.081 4.083 1.689
69 HB VAL 12 HB VAL 12 -9.895 5.920 0.119
70 HG11 VAL 12 1HG1 VAL 12 -9.831 4.466 -1.568
71 HG12 VAL 12 2HG1 VAL 12 -8.424 3.750 -0.780
72 HG13 VAL 12 3HG1 VAL 12 -10.033 3.089 -0.485
73 HG21 VAL 12 3HG2 VAL 12 -10.522 3.542 1.867
74 HG22 VAL 12 1HG2 VAL 12 -10.950 5.224 2.180
75 HG23 VAL 12 2HG2 VAL 12 -11.682 4.365 0.824
76 H CYS 13 H CYS 13 -6.520 3.670 0.225
77 HA CYS 13 HA CYS 13 -4.815 5.821 -0.594
78 HB2 CYS 13 1HB CYS 13 -4.208 3.355 0.033
79 HB3 CYS 13 2HB CYS 13 -4.568 3.028 -1.659
80 H ASN 14 H ASN 14 -4.897 6.954 -2.415
81 HA ASN 14 HA ASN 14 -6.857 6.291 -4.432
82 HB2 ASN 14 1HB ASN 14 -4.891 8.590 -4.318
83 HB3 ASN 14 2HB ASN 14 -6.249 8.445 -5.431
84 HD21 ASN 14 1HD2 ASN 14 -8.325 8.786 -4.691
85 HD22 ASN 14 2HD2 ASN 14 -8.658 9.510 -3.158
86 H GLU 15 H GLU 15 -3.819 5.237 -3.873
87 HA GLU 15 HA GLU 15 -2.925 5.265 -6.649
88 HB2 GLU 15 1HB GLU 15 -1.656 4.472 -4.046
89 HB3 GLU 15 2HB GLU 15 -0.960 3.948 -5.573
90 HG2 GLU 15 1HG GLU 15 -1.555 6.835 -5.082
91 HG3 GLU 15 2HG GLU 15 -0.080 6.097 -4.461
92 H CYS 16 H CYS 16 -3.703 2.907 -4.105
93 HA CYS 16 HA CYS 16 -4.075 0.885 -6.217
94 HB2 CYS 16 1HB CYS 16 -3.566 -0.818 -4.503
95 HB3 CYS 16 2HB CYS 16 -2.223 0.295 -4.747
96 H GLY 17 H GLY 17 -5.320 2.219 -3.199
97 HA2 GLY 17 1HA GLY 17 -7.743 2.525 -3.057
98 HA3 GLY 17 2HA GLY 17 -7.915 0.954 -3.826
99 H LYS 18 H LYS 18 -5.423 1.193 -1.496
100 HA LYS 18 HA LYS 18 -6.779 -0.678 0.221
101 HB2 LYS 18 1HB LYS 18 -4.207 -0.426 -0.396
102 HB3 LYS 18 2HB LYS 18 -4.213 0.613 1.023
103 HG2 LYS 18 1HG LYS 18 -4.835 -1.145 2.444
104 HG3 LYS 18 2HG LYS 18 -5.321 -2.174 1.095
105 HD2 LYS 18 1HD LYS 18 -3.017 -2.399 0.391
106 HD3 LYS 18 2HD LYS 18 -2.494 -1.271 1.644
107 HE2 LYS 18 1HE LYS 18 -2.032 -3.337 2.589
108 HE3 LYS 18 2HE LYS 18 -3.606 -2.940 3.276
109 HZ1 LYS 18 3HZ LYS 18 -3.497 -5.234 2.491
110 HZ2 LYS 18 1HZ LYS 18 -3.163 -4.695 0.922
111 HZ3 LYS 18 2HZ LYS 18 -4.656 -4.347 1.635
112 H ALA 19 H ALA 19 -7.871 -0.253 2.032
113 HA ALA 19 HA ALA 19 -7.989 2.525 2.952
114 HB1 ALA 19 3HB ALA 19 -9.792 0.244 3.739
115 HB2 ALA 19 1HB ALA 19 -10.062 1.968 3.998
116 HB3 ALA 19 2HB ALA 19 -10.089 1.305 2.363
117 H PHE 20 H PHE 20 -7.577 3.129 5.055
118 HA PHE 20 HA PHE 20 -6.543 1.060 6.868
119 HB2 PHE 20 1HB PHE 20 -5.241 3.754 6.424
120 HB3 PHE 20 2HB PHE 20 -4.680 2.484 7.506
121 HD1 PHE 20 HD1 PHE 20 -5.345 3.207 3.925
122 HD2 PHE 20 HD2 PHE 20 -3.172 0.888 6.756
123 HE1 PHE 20 HE1 PHE 20 -3.983 2.265 2.104
124 HE2 PHE 20 HE2 PHE 20 -1.807 -0.057 4.941
125 HZ PHE 20 HZ PHE 20 -2.211 0.632 2.611
126 H GLY 21 H GLY 21 -7.805 1.064 8.604
127 HA2 GLY 21 1HA GLY 21 -9.675 2.920 9.352
128 HA3 GLY 21 2HA GLY 21 -8.884 1.835 10.486
129 H LEU 22 H LEU 22 -6.268 3.218 9.645
130 HA LEU 22 HA LEU 22 -6.621 5.592 11.355
131 HB2 LEU 22 1HB LEU 22 -4.564 3.461 11.305
132 HB3 LEU 22 2HB LEU 22 -4.010 5.102 11.634
133 HG LEU 22 HG LEU 22 -6.096 3.614 13.229
134 HD11 LEU 22 1HD1 LEU 22 -4.009 2.572 13.636
135 HD12 LEU 22 2HD1 LEU 22 -4.297 3.668 14.987
136 HD13 LEU 22 3HD1 LEU 22 -3.170 4.122 13.709
137 HD21 LEU 22 3HD2 LEU 22 -5.531 5.535 14.848
138 HD22 LEU 22 1HD2 LEU 22 -6.601 5.869 13.486
139 HD23 LEU 22 2HD2 LEU 22 -4.908 6.359 13.418
140 H LYS 23 H LYS 23 -5.186 7.390 10.937
141 HA LYS 23 HA LYS 23 -4.966 7.958 8.150
142 HB2 LYS 23 1HB LYS 23 -5.472 9.634 9.970
143 HB3 LYS 23 2HB LYS 23 -3.777 9.540 10.431
144 HG2 LYS 23 1HG LYS 23 -3.074 10.452 8.356
145 HG3 LYS 23 2HG LYS 23 -4.694 10.303 7.671
146 HD2 LYS 23 1HD LYS 23 -5.516 12.089 8.895
147 HD3 LYS 23 2HD LYS 23 -4.259 11.954 10.127
148 HE2 LYS 23 1HE LYS 23 -2.620 12.633 8.305
149 HE3 LYS 23 2HE LYS 23 -4.032 13.066 7.342
150 HZ1 LYS 23 3HZ LYS 23 -4.494 14.279 9.725
151 HZ2 LYS 23 1HZ LYS 23 -3.877 15.033 8.342
152 HZ3 LYS 23 2HZ LYS 23 -2.823 14.463 9.535
153 H SER 24 H SER 24 -2.458 7.988 10.691
154 HA SER 24 HA SER 24 -0.233 8.154 9.109
155 HB2 SER 24 1HB SER 24 1.030 7.300 10.936
156 HB3 SER 24 2HB SER 24 -0.354 8.121 11.655
157 HG SER 24 HG SER 24 -0.227 5.331 11.149
158 H GLN 25 H GLN 25 -2.050 5.239 9.949
159 HA GLN 25 HA GLN 25 -0.414 3.271 8.963
160 HB2 GLN 25 1HB GLN 25 -3.421 3.495 8.846
161 HB3 GLN 25 2HB GLN 25 -2.547 2.032 8.410
162 HG2 GLN 25 1HG GLN 25 -2.576 3.374 11.103
163 HG3 GLN 25 2HG GLN 25 -3.367 1.860 10.665
164 HE21 GLN 25 1HE2 GLN 25 -1.193 2.647 12.618
165 HE22 GLN 25 2HE2 GLN 25 0.072 1.509 12.319
166 H LEU 26 H LEU 26 -2.601 5.374 7.153
167 HA LEU 26 HA LEU 26 -2.079 4.099 4.638
168 HB2 LEU 26 1HB LEU 26 -4.182 5.170 4.909
169 HB3 LEU 26 2HB LEU 26 -3.421 6.680 5.403
170 HG LEU 26 HG LEU 26 -2.480 6.820 3.055
171 HD11 LEU 26 1HD1 LEU 26 -4.174 4.391 2.826
172 HD12 LEU 26 2HD1 LEU 26 -2.642 4.783 2.046
173 HD13 LEU 26 3HD1 LEU 26 -4.138 5.515 1.467
174 HD21 LEU 26 3HD2 LEU 26 -4.636 7.911 4.067
175 HD22 LEU 26 1HD2 LEU 26 -5.459 6.832 2.940
176 HD23 LEU 26 2HD2 LEU 26 -4.302 8.019 2.338
177 H ILE 27 H ILE 27 -1.047 7.122 6.187
178 HA ILE 27 HA ILE 27 0.428 8.258 4.169
179 HB ILE 27 HB ILE 27 1.277 8.191 7.065
180 HG12 ILE 27 1HG1 ILE 27 -0.681 10.000 5.636
181 HG13 ILE 27 2HG1 ILE 27 -1.051 8.864 6.928
182 HG21 ILE 27 1HG2 ILE 27 2.263 10.389 6.546
183 HG22 ILE 27 2HG2 ILE 27 2.980 9.086 5.599
184 HG23 ILE 27 3HG2 ILE 27 1.806 10.173 4.856
185 HD11 ILE 27 3HD1 ILE 27 0.620 11.354 7.152
186 HD12 ILE 27 1HD1 ILE 27 -1.003 11.104 7.795
187 HD13 ILE 27 2HD1 ILE 27 0.356 10.191 8.451
188 H ILE 28 H ILE 28 1.461 5.745 6.446
189 HA ILE 28 HA ILE 28 4.127 5.582 5.492
190 HB ILE 28 HB ILE 28 2.518 3.473 6.937
191 HG12 ILE 28 1HG1 ILE 28 4.549 5.207 8.272
192 HG13 ILE 28 2HG1 ILE 28 2.960 5.888 7.942
193 HG21 ILE 28 1HG2 ILE 28 5.490 3.719 7.052
194 HG22 ILE 28 2HG2 ILE 28 4.468 2.308 7.320
195 HG23 ILE 28 3HG2 ILE 28 4.733 2.906 5.682
196 HD11 ILE 28 3HD1 ILE 28 3.594 3.471 9.612
197 HD12 ILE 28 1HD1 ILE 28 2.972 5.026 10.163
198 HD13 ILE 28 2HD1 ILE 28 1.962 3.972 9.172
199 H HIS 29 H HIS 29 1.124 4.016 4.585
200 HA HIS 29 HA HIS 29 2.290 2.003 2.948
201 HB2 HIS 29 1HB HIS 29 0.055 1.673 3.762
202 HB3 HIS 29 2HB HIS 29 -0.492 3.179 3.033
203 HD1 HIS 29 HD1 HIS 29 0.669 -0.282 2.045
204 HD2 HIS 29 HD2 HIS 29 -1.395 2.956 0.458
205 HE1 HIS 29 HE1 HIS 29 -0.239 -1.079 -0.161
206 H GLU 30 H GLU 30 0.741 5.120 2.196
207 HA GLU 30 HA GLU 30 0.948 5.105 -0.544
208 HB2 GLU 30 1HB GLU 30 1.397 7.482 1.270
209 HB3 GLU 30 2HB GLU 30 0.976 7.555 -0.436
210 HG2 GLU 30 1HG GLU 30 -1.173 6.586 -0.010
211 HG3 GLU 30 2HG GLU 30 -0.753 6.293 1.677
212 H ARG 31 H ARG 31 3.480 5.174 1.744
213 HA ARG 31 HA ARG 31 5.492 6.553 0.406
214 HB2 ARG 31 1HB ARG 31 5.726 4.108 2.171
215 HB3 ARG 31 2HB ARG 31 7.067 5.145 1.703
216 HG2 ARG 31 1HG ARG 31 6.002 7.030 2.848
217 HG3 ARG 31 2HG ARG 31 4.676 5.972 3.335
218 HD2 ARG 31 1HD ARG 31 6.061 5.998 5.204
219 HD3 ARG 31 2HD ARG 31 6.511 4.505 4.381
220 HE ARG 31 HE ARG 31 8.110 6.819 3.705
221 HH11 ARG 31 1HH1 ARG 31 7.742 4.026 5.751
222 HH12 ARG 31 2HH1 ARG 31 9.424 3.940 6.157
223 HH21 ARG 31 1HH2 ARG 31 10.327 6.716 4.232
224 HH22 ARG 31 2HH2 ARG 31 10.893 5.471 5.294
225 H ILE 32 H ILE 32 4.137 3.410 -0.189
226 HA ILE 32 HA ILE 32 6.241 2.335 -1.743
227 HB ILE 32 HB ILE 32 4.683 0.684 -2.499
228 HG12 ILE 32 1HG1 ILE 32 2.468 2.414 -1.380
229 HG13 ILE 32 2HG1 ILE 32 2.865 2.291 -3.090
230 HG21 ILE 32 1HG2 ILE 32 4.463 1.549 0.344
231 HG22 ILE 32 2HG2 ILE 32 3.475 0.204 -0.224
232 HG23 ILE 32 3HG2 ILE 32 5.232 0.118 -0.342
233 HD11 ILE 32 3HD1 ILE 32 1.527 0.546 -3.260
234 HD12 ILE 32 1HD1 ILE 32 2.523 -0.334 -2.101
235 HD13 ILE 32 2HD1 ILE 32 1.167 0.642 -1.536
236 H HIS 33 H HIS 33 3.590 4.492 -2.472
237 HA HIS 33 HA HIS 33 4.132 4.356 -5.336
238 HB2 HIS 33 1HB HIS 33 2.101 6.077 -3.906
239 HB3 HIS 33 2HB HIS 33 2.153 5.694 -5.624
240 HD1 HIS 33 HD1 HIS 33 1.877 2.978 -6.104
241 HD2 HIS 33 HD2 HIS 33 0.428 4.478 -2.511
242 HE1 HIS 33 HE1 HIS 33 0.249 1.255 -5.264
243 H THR 34 H THR 34 4.342 6.619 -2.636
244 HA THR 34 HA THR 34 4.953 8.976 -3.863
245 HB THR 34 HB THR 34 6.218 9.621 -1.913
246 HG1 THR 34 HG1 THR 34 7.473 7.648 -1.784
247 HG21 THR 34 3HG2 THR 34 4.585 8.228 -0.182
248 HG22 THR 34 1HG2 THR 34 3.693 8.178 -1.702
249 HG23 THR 34 2HG2 THR 34 4.170 9.729 -1.010
250 H GLY 35 H GLY 35 7.145 6.249 -3.303
251 HA2 GLY 35 1HA GLY 35 8.893 7.309 -5.399
252 HA3 GLY 35 2HA GLY 35 9.605 7.014 -3.820
253 H GLU 36 H GLU 36 9.399 4.786 -2.961
254 HA GLU 36 HA GLU 36 9.139 2.749 -5.053
255 HB2 GLU 36 1HB GLU 36 11.505 3.014 -3.190
256 HB3 GLU 36 2HB GLU 36 11.212 1.650 -4.260
257 HG2 GLU 36 1HG GLU 36 11.340 4.392 -5.411
258 HG3 GLU 36 2HG GLU 36 12.834 3.576 -4.952
259 H SER 37 H SER 37 9.293 0.492 -4.029
260 HA SER 37 HA SER 37 7.264 0.282 -2.072
261 HB2 SER 37 1HB SER 37 7.472 -1.516 -3.614
262 HB3 SER 37 2HB SER 37 9.184 -1.729 -3.248
263 HG SER 37 HG SER 37 7.208 -2.057 -1.261
264 H GLY 38 H GLY 38 10.778 -0.244 -1.921
265 HA2 GLY 38 1HA GLY 38 10.759 0.474 0.891
266 HA3 GLY 38 2HA GLY 38 11.213 -1.190 0.554
267 HA PRO 39 HA PRO 39 15.015 1.502 0.440
268 HB2 PRO 39 1HB PRO 39 16.464 -0.034 2.146
269 HB3 PRO 39 2HB PRO 39 15.393 1.261 2.693
270 HG2 PRO 39 1HG PRO 39 14.899 -1.690 2.593
271 HG3 PRO 39 2HG PRO 39 14.498 -0.531 3.874
272 HD2 PRO 39 1HD PRO 39 12.666 -1.423 2.091
273 HD3 PRO 39 2HD PRO 39 12.607 0.210 2.785
274 H SER 40 H SER 40 14.802 -2.050 0.574
275 HA SER 40 HA SER 40 15.994 -3.679 -0.507
276 HB2 SER 40 1HB SER 40 14.423 -2.475 -2.260
277 HB3 SER 40 2HB SER 40 15.961 -1.984 -2.971
278 HG SER 40 HG SER 40 15.876 -3.885 -3.866
279 H SER 41 H SER 41 17.690 -1.973 0.882
280 HA SER 41 HA SER 41 20.032 -1.884 -0.906
281 HB2 SER 41 1HB SER 41 19.085 0.374 -0.113
282 HB3 SER 41 2HB SER 41 19.701 -0.070 1.479
283 HG SER 41 HG SER 41 21.359 -0.168 -0.800
284 H GLY 42 H GLY 42 19.343 -4.175 0.509
285 HA2 GLY 42 1HA GLY 42 21.180 -5.529 1.484
286 HA3 GLY 42 2HA GLY 42 21.407 -4.211 2.625
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -19.955 -18.963 2.470
2 HA2 GLY 1 1HA GLY 1 -20.342 -18.511 -0.000
3 HA3 GLY 1 2HA GLY 1 -21.853 -17.791 0.537
4 H SER 2 H SER 2 -21.702 -15.926 1.995
5 HA SER 2 HA SER 2 -19.178 -14.445 1.705
6 HB2 SER 2 1HB SER 2 -20.420 -12.400 1.193
7 HB3 SER 2 2HB SER 2 -20.785 -13.650 0.003
8 HG SER 2 HG SER 2 -22.684 -12.627 0.710
9 H SER 3 H SER 3 -18.775 -15.065 3.895
10 HA SER 3 HA SER 3 -20.511 -13.771 5.885
11 HB2 SER 3 1HB SER 3 -19.804 -16.320 5.925
12 HB3 SER 3 2HB SER 3 -18.339 -15.675 6.664
13 HG SER 3 HG SER 3 -20.429 -16.253 7.957
14 H GLY 4 H GLY 4 -19.249 -13.017 7.890
15 HA2 GLY 4 1HA GLY 4 -17.330 -11.974 8.811
16 HA3 GLY 4 2HA GLY 4 -16.634 -11.889 7.199
17 H SER 5 H SER 5 -16.528 -9.699 8.815
18 HA SER 5 HA SER 5 -18.369 -7.864 7.443
19 HB2 SER 5 1HB SER 5 -17.589 -7.593 10.354
20 HB3 SER 5 2HB SER 5 -18.729 -6.588 9.460
21 HG SER 5 HG SER 5 -19.089 -9.375 9.785
22 H SER 6 H SER 6 -17.559 -5.782 7.044
23 HA SER 6 HA SER 6 -14.627 -5.627 7.140
24 HB2 SER 6 1HB SER 6 -16.037 -5.440 4.945
25 HB3 SER 6 2HB SER 6 -16.336 -3.790 5.492
26 HG SER 6 HG SER 6 -14.148 -3.391 5.434
27 H GLY 7 H GLY 7 -13.668 -4.232 8.462
28 HA2 GLY 7 1HA GLY 7 -15.130 -2.595 10.244
29 HA3 GLY 7 2HA GLY 7 -13.387 -2.564 10.016
30 H GLN 8 H GLN 8 -14.467 -0.216 10.551
31 HA GLN 8 HA GLN 8 -15.150 1.157 8.079
32 HB2 GLN 8 1HB GLN 8 -15.339 3.158 9.609
33 HB3 GLN 8 2HB GLN 8 -16.448 1.836 9.948
34 HG2 GLN 8 1HG GLN 8 -13.849 1.961 11.397
35 HG3 GLN 8 2HG GLN 8 -15.162 3.035 11.876
36 HE21 GLN 8 1HE2 GLN 8 -17.196 2.051 12.470
37 HE22 GLN 8 2HE2 GLN 8 -17.203 0.477 13.183
38 H LYS 9 H LYS 9 -13.609 1.891 6.790
39 HA LYS 9 HA LYS 9 -11.167 3.001 7.996
40 HB2 LYS 9 1HB LYS 9 -11.340 1.194 5.580
41 HB3 LYS 9 2HB LYS 9 -9.895 2.081 6.047
42 HG2 LYS 9 1HG LYS 9 -9.819 0.864 8.158
43 HG3 LYS 9 2HG LYS 9 -11.282 -0.015 7.707
44 HD2 LYS 9 1HD LYS 9 -9.860 -0.611 5.571
45 HD3 LYS 9 2HD LYS 9 -8.507 -0.263 6.649
46 HE2 LYS 9 1HE LYS 9 -9.035 -2.629 6.703
47 HE3 LYS 9 2HE LYS 9 -9.395 -1.889 8.262
48 HZ1 LYS 9 3HZ LYS 9 -11.490 -2.228 6.208
49 HZ2 LYS 9 1HZ LYS 9 -11.671 -2.001 7.875
50 HZ3 LYS 9 2HZ LYS 9 -11.104 -3.479 7.279
51 HA PRO 10 HA PRO 10 -12.918 6.283 5.381
52 HB2 PRO 10 1HB PRO 10 -11.709 8.295 6.744
53 HB3 PRO 10 2HB PRO 10 -13.216 7.542 7.279
54 HG2 PRO 10 1HG PRO 10 -10.415 7.042 8.208
55 HG3 PRO 10 2HG PRO 10 -11.900 7.199 9.165
56 HD2 PRO 10 1HD PRO 10 -10.803 4.799 8.562
57 HD3 PRO 10 2HD PRO 10 -12.554 5.031 8.738
58 H TYR 11 H TYR 11 -9.567 6.036 6.540
59 HA TYR 11 HA TYR 11 -8.477 7.621 4.438
60 HB2 TYR 11 1HB TYR 11 -7.013 5.599 6.139
61 HB3 TYR 11 2HB TYR 11 -6.325 6.980 5.293
62 HD1 TYR 11 HD1 TYR 11 -8.409 5.950 8.156
63 HD2 TYR 11 HD2 TYR 11 -6.381 9.169 6.251
64 HE1 TYR 11 HE1 TYR 11 -8.706 7.324 10.174
65 HE2 TYR 11 HE2 TYR 11 -6.672 10.551 8.264
66 HH TYR 11 HH TYR 11 -7.352 10.595 10.385
67 H VAL 12 H VAL 12 -8.888 6.913 2.413
68 HA VAL 12 HA VAL 12 -8.131 4.142 1.756
69 HB VAL 12 HB VAL 12 -10.037 5.965 0.282
70 HG11 VAL 12 1HG1 VAL 12 -8.665 4.318 -1.086
71 HG12 VAL 12 2HG1 VAL 12 -9.555 3.046 -0.246
72 HG13 VAL 12 3HG1 VAL 12 -10.418 4.216 -1.245
73 HG21 VAL 12 3HG2 VAL 12 -10.892 5.094 2.438
74 HG22 VAL 12 1HG2 VAL 12 -11.787 4.492 1.043
75 HG23 VAL 12 2HG2 VAL 12 -10.612 3.454 1.852
76 H CYS 13 H CYS 13 -6.404 3.857 0.513
77 HA CYS 13 HA CYS 13 -4.777 5.958 -0.364
78 HB2 CYS 13 1HB CYS 13 -4.260 3.419 0.020
79 HB3 CYS 13 2HB CYS 13 -4.683 3.267 -1.683
80 H ASN 14 H ASN 14 -4.566 7.036 -2.259
81 HA ASN 14 HA ASN 14 -6.719 6.688 -4.205
82 HB2 ASN 14 1HB ASN 14 -4.774 8.924 -3.652
83 HB3 ASN 14 2HB ASN 14 -5.770 8.895 -5.105
84 HD21 ASN 14 1HD2 ASN 14 -7.904 9.385 -4.974
85 HD22 ASN 14 2HD2 ASN 14 -8.677 9.925 -3.527
86 H GLU 15 H GLU 15 -4.022 5.155 -3.868
87 HA GLU 15 HA GLU 15 -3.133 5.444 -6.661
88 HB2 GLU 15 1HB GLU 15 -1.692 4.689 -4.147
89 HB3 GLU 15 2HB GLU 15 -1.105 4.091 -5.692
90 HG2 GLU 15 1HG GLU 15 -1.521 6.993 -5.014
91 HG3 GLU 15 2HG GLU 15 0.024 6.148 -4.954
92 H CYS 16 H CYS 16 -3.740 3.048 -4.109
93 HA CYS 16 HA CYS 16 -4.190 1.040 -6.220
94 HB2 CYS 16 1HB CYS 16 -3.613 -0.669 -4.536
95 HB3 CYS 16 2HB CYS 16 -2.287 0.457 -4.809
96 H GLY 17 H GLY 17 -5.390 2.464 -3.246
97 HA2 GLY 17 1HA GLY 17 -7.769 2.723 -2.951
98 HA3 GLY 17 2HA GLY 17 -7.994 1.195 -3.790
99 H LYS 18 H LYS 18 -5.474 1.455 -1.435
100 HA LYS 18 HA LYS 18 -6.754 -0.564 0.187
101 HB2 LYS 18 1HB LYS 18 -4.215 -0.290 -0.432
102 HB3 LYS 18 2HB LYS 18 -4.196 0.787 0.958
103 HG2 LYS 18 1HG LYS 18 -4.518 -0.903 2.451
104 HG3 LYS 18 2HG LYS 18 -5.408 -1.901 1.298
105 HD2 LYS 18 1HD LYS 18 -3.339 -2.420 0.126
106 HD3 LYS 18 2HD LYS 18 -2.436 -1.375 1.225
107 HE2 LYS 18 1HE LYS 18 -4.015 -3.795 2.085
108 HE3 LYS 18 2HE LYS 18 -2.282 -3.803 1.765
109 HZ1 LYS 18 3HZ LYS 18 -1.966 -3.144 3.839
110 HZ2 LYS 18 1HZ LYS 18 -3.633 -3.034 4.112
111 HZ3 LYS 18 2HZ LYS 18 -2.784 -1.700 3.511
112 H ALA 19 H ALA 19 -7.932 -0.205 1.946
113 HA ALA 19 HA ALA 19 -8.107 2.511 2.999
114 HB1 ALA 19 3HB ALA 19 -10.127 1.801 4.087
115 HB2 ALA 19 1HB ALA 19 -10.166 1.257 2.410
116 HB3 ALA 19 2HB ALA 19 -9.794 0.113 3.701
117 H PHE 20 H PHE 20 -7.680 3.071 5.109
118 HA PHE 20 HA PHE 20 -6.562 0.996 6.861
119 HB2 PHE 20 1HB PHE 20 -5.300 3.713 6.452
120 HB3 PHE 20 2HB PHE 20 -4.695 2.412 7.473
121 HD1 PHE 20 HD1 PHE 20 -5.424 3.301 3.947
122 HD2 PHE 20 HD2 PHE 20 -3.239 0.809 6.617
123 HE1 PHE 20 HE1 PHE 20 -4.106 2.439 2.058
124 HE2 PHE 20 HE2 PHE 20 -1.917 -0.057 4.732
125 HZ PHE 20 HZ PHE 20 -2.349 0.758 2.449
126 H GLY 21 H GLY 21 -7.762 0.965 8.639
127 HA2 GLY 21 1HA GLY 21 -9.651 2.781 9.445
128 HA3 GLY 21 2HA GLY 21 -8.816 1.699 10.549
129 H LEU 22 H LEU 22 -6.235 3.110 9.694
130 HA LEU 22 HA LEU 22 -6.592 5.476 11.415
131 HB2 LEU 22 1HB LEU 22 -4.517 3.366 11.330
132 HB3 LEU 22 2HB LEU 22 -3.970 5.010 11.650
133 HG LEU 22 HG LEU 22 -6.001 3.485 13.280
134 HD11 LEU 22 1HD1 LEU 22 -4.362 3.014 14.813
135 HD12 LEU 22 2HD1 LEU 22 -3.325 4.335 14.276
136 HD13 LEU 22 3HD1 LEU 22 -3.458 2.869 13.305
137 HD21 LEU 22 3HD2 LEU 22 -4.916 6.272 13.421
138 HD22 LEU 22 1HD2 LEU 22 -5.459 5.441 14.879
139 HD23 LEU 22 2HD2 LEU 22 -6.585 5.714 13.549
140 H LYS 23 H LYS 23 -5.150 7.281 10.996
141 HA LYS 23 HA LYS 23 -4.984 7.868 8.205
142 HB2 LYS 23 1HB LYS 23 -5.476 9.519 10.072
143 HB3 LYS 23 2HB LYS 23 -3.760 9.465 10.454
144 HG2 LYS 23 1HG LYS 23 -3.167 10.435 8.391
145 HG3 LYS 23 2HG LYS 23 -4.780 10.181 7.722
146 HD2 LYS 23 1HD LYS 23 -5.644 11.743 9.497
147 HD3 LYS 23 2HD LYS 23 -3.962 12.115 9.883
148 HE2 LYS 23 1HE LYS 23 -3.619 13.244 7.919
149 HE3 LYS 23 2HE LYS 23 -4.842 12.320 7.048
150 HZ1 LYS 23 3HZ LYS 23 -6.561 13.563 8.050
151 HZ2 LYS 23 1HZ LYS 23 -5.415 14.695 7.531
152 HZ3 LYS 23 2HZ LYS 23 -5.513 14.280 9.167
153 H SER 24 H SER 24 -2.448 7.913 10.717
154 HA SER 24 HA SER 24 -0.242 8.112 9.112
155 HB2 SER 24 1HB SER 24 1.050 7.255 10.917
156 HB3 SER 24 2HB SER 24 -0.332 8.064 11.657
157 HG SER 24 HG SER 24 0.350 5.759 12.291
158 H GLN 25 H GLN 25 -2.030 5.177 9.941
159 HA GLN 25 HA GLN 25 -0.376 3.235 8.920
160 HB2 GLN 25 1HB GLN 25 -3.388 3.416 8.859
161 HB3 GLN 25 2HB GLN 25 -2.500 1.968 8.402
162 HG2 GLN 25 1HG GLN 25 -2.531 3.296 11.100
163 HG3 GLN 25 2HG GLN 25 -3.263 1.753 10.662
164 HE21 GLN 25 1HE2 GLN 25 -1.293 2.337 12.714
165 HE22 GLN 25 2HE2 GLN 25 0.087 1.363 12.353
166 H LEU 26 H LEU 26 -2.587 5.356 7.171
167 HA LEU 26 HA LEU 26 -2.095 4.094 4.634
168 HB2 LEU 26 1HB LEU 26 -4.220 5.106 4.941
169 HB3 LEU 26 2HB LEU 26 -3.493 6.630 5.446
170 HG LEU 26 HG LEU 26 -2.609 6.869 3.106
171 HD11 LEU 26 1HD1 LEU 26 -3.108 5.418 1.440
172 HD12 LEU 26 2HD1 LEU 26 -4.644 4.939 2.162
173 HD13 LEU 26 3HD1 LEU 26 -3.133 4.277 2.785
174 HD21 LEU 26 3HD2 LEU 26 -4.877 7.740 4.140
175 HD22 LEU 26 1HD2 LEU 26 -5.569 6.665 2.924
176 HD23 LEU 26 2HD2 LEU 26 -4.491 7.972 2.434
177 H ILE 27 H ILE 27 -1.081 7.093 6.228
178 HA ILE 27 HA ILE 27 0.328 8.290 4.181
179 HB ILE 27 HB ILE 27 1.212 8.241 7.067
180 HG12 ILE 27 1HG1 ILE 27 -0.822 9.996 5.676
181 HG13 ILE 27 2HG1 ILE 27 -1.143 8.834 6.959
182 HG21 ILE 27 1HG2 ILE 27 2.010 9.753 4.684
183 HG22 ILE 27 2HG2 ILE 27 1.710 10.736 6.116
184 HG23 ILE 27 3HG2 ILE 27 2.895 9.431 6.175
185 HD11 ILE 27 3HD1 ILE 27 0.516 10.281 8.327
186 HD12 ILE 27 1HD1 ILE 27 0.163 11.509 7.112
187 HD13 ILE 27 2HD1 ILE 27 -1.141 10.835 8.090
188 H ILE 28 H ILE 28 1.419 5.772 6.420
189 HA ILE 28 HA ILE 28 4.089 5.687 5.445
190 HB ILE 28 HB ILE 28 2.552 3.544 6.918
191 HG12 ILE 28 1HG1 ILE 28 4.556 5.337 8.218
192 HG13 ILE 28 2HG1 ILE 28 2.943 5.971 7.912
193 HG21 ILE 28 1HG2 ILE 28 4.664 2.881 5.681
194 HG22 ILE 28 2HG2 ILE 28 5.532 3.915 6.816
195 HG23 ILE 28 3HG2 ILE 28 4.620 2.526 7.408
196 HD11 ILE 28 3HD1 ILE 28 3.323 3.364 9.324
197 HD12 ILE 28 1HD1 ILE 28 3.443 4.897 10.187
198 HD13 ILE 28 2HD1 ILE 28 1.945 4.465 9.363
199 H HIS 29 H HIS 29 1.109 4.085 4.554
200 HA HIS 29 HA HIS 29 2.306 2.084 2.915
201 HB2 HIS 29 1HB HIS 29 0.104 1.664 3.741
202 HB3 HIS 29 2HB HIS 29 -0.503 3.179 3.081
203 HD1 HIS 29 HD1 HIS 29 0.683 -0.228 1.958
204 HD2 HIS 29 HD2 HIS 29 -1.440 3.035 0.506
205 HE1 HIS 29 HE1 HIS 29 -0.259 -0.968 -0.253
206 H GLU 30 H GLU 30 0.656 5.154 2.184
207 HA GLU 30 HA GLU 30 0.839 5.134 -0.563
208 HB2 GLU 30 1HB GLU 30 1.216 7.549 1.215
209 HB3 GLU 30 2HB GLU 30 0.726 7.568 -0.473
210 HG2 GLU 30 1HG GLU 30 -1.383 6.703 -0.000
211 HG3 GLU 30 2HG GLU 30 -0.887 6.116 1.587
212 H ARG 31 H ARG 31 3.377 5.289 1.703
213 HA ARG 31 HA ARG 31 5.315 6.749 0.305
214 HB2 ARG 31 1HB ARG 31 5.668 4.416 2.195
215 HB3 ARG 31 2HB ARG 31 6.959 5.487 1.668
216 HG2 ARG 31 1HG ARG 31 5.940 7.356 2.770
217 HG3 ARG 31 2HG ARG 31 4.513 6.396 3.166
218 HD2 ARG 31 1HD ARG 31 5.875 6.534 5.124
219 HD3 ARG 31 2HD ARG 31 5.986 4.890 4.499
220 HE ARG 31 HE ARG 31 8.210 5.251 3.992
221 HH11 ARG 31 1HH1 ARG 31 6.692 8.230 4.963
222 HH12 ARG 31 2HH1 ARG 31 8.186 9.093 5.119
223 HH21 ARG 31 1HH2 ARG 31 10.184 6.377 4.193
224 HH22 ARG 31 2HH2 ARG 31 10.172 8.038 4.680
225 H ILE 32 H ILE 32 4.158 3.486 -0.082
226 HA ILE 32 HA ILE 32 6.289 2.422 -1.573
227 HB ILE 32 HB ILE 32 4.822 0.680 -2.245
228 HG12 ILE 32 1HG1 ILE 32 2.479 2.383 -1.380
229 HG13 ILE 32 2HG1 ILE 32 3.007 2.224 -3.051
230 HG21 ILE 32 1HG2 ILE 32 4.589 1.727 0.497
231 HG22 ILE 32 2HG2 ILE 32 3.404 0.504 0.040
232 HG23 ILE 32 3HG2 ILE 32 5.127 0.149 -0.076
233 HD11 ILE 32 3HD1 ILE 32 1.711 0.211 -1.275
234 HD12 ILE 32 1HD1 ILE 32 1.294 0.696 -2.919
235 HD13 ILE 32 2HD1 ILE 32 2.710 -0.315 -2.629
236 H HIS 33 H HIS 33 3.701 4.572 -2.430
237 HA HIS 33 HA HIS 33 4.151 4.239 -5.284
238 HB2 HIS 33 1HB HIS 33 2.329 6.185 -3.856
239 HB3 HIS 33 2HB HIS 33 2.312 5.799 -5.574
240 HD1 HIS 33 HD1 HIS 33 2.046 2.933 -5.830
241 HD2 HIS 33 HD2 HIS 33 0.289 4.926 -2.637
242 HE1 HIS 33 HE1 HIS 33 0.223 1.409 -5.007
243 H THR 34 H THR 34 4.587 6.705 -2.782
244 HA THR 34 HA THR 34 5.380 8.891 -4.160
245 HB THR 34 HB THR 34 6.821 9.515 -2.318
246 HG1 THR 34 HG1 THR 34 6.935 7.658 -0.629
247 HG21 THR 34 3HG2 THR 34 4.326 9.441 -1.994
248 HG22 THR 34 1HG2 THR 34 5.272 9.357 -0.509
249 HG23 THR 34 2HG2 THR 34 4.548 7.894 -1.177
250 H GLY 35 H GLY 35 7.304 5.977 -3.621
251 HA2 GLY 35 1HA GLY 35 9.530 7.125 -5.137
252 HA3 GLY 35 2HA GLY 35 9.556 5.612 -4.243
253 H GLU 36 H GLU 36 7.158 4.521 -5.353
254 HA GLU 36 HA GLU 36 7.965 2.940 -7.343
255 HB2 GLU 36 1HB GLU 36 5.694 2.914 -6.319
256 HB3 GLU 36 2HB GLU 36 5.248 4.264 -7.353
257 HG2 GLU 36 1HG GLU 36 5.388 2.958 -9.301
258 HG3 GLU 36 2HG GLU 36 6.241 1.662 -8.465
259 H SER 37 H SER 37 6.594 6.176 -7.896
260 HA SER 37 HA SER 37 6.500 6.408 -10.563
261 HB2 SER 37 1HB SER 37 7.809 8.437 -8.735
262 HB3 SER 37 2HB SER 37 7.169 8.770 -10.344
263 HG SER 37 HG SER 37 5.865 8.585 -7.972
264 H GLY 38 H GLY 38 7.821 6.408 -12.298
265 HA2 GLY 38 1HA GLY 38 10.420 5.314 -12.074
266 HA3 GLY 38 2HA GLY 38 9.708 5.982 -13.536
267 HA PRO 39 HA PRO 39 13.067 8.769 -11.561
268 HB2 PRO 39 1HB PRO 39 15.212 8.020 -13.046
269 HB3 PRO 39 2HB PRO 39 14.811 7.275 -11.494
270 HG2 PRO 39 1HG PRO 39 14.250 6.295 -14.266
271 HG3 PRO 39 2HG PRO 39 14.829 5.390 -12.855
272 HD2 PRO 39 1HD PRO 39 12.242 5.344 -13.655
273 HD3 PRO 39 2HD PRO 39 12.717 5.206 -11.950
274 H SER 40 H SER 40 11.944 10.437 -12.598
275 HA SER 40 HA SER 40 13.193 11.578 -14.848
276 HB2 SER 40 1HB SER 40 11.214 11.467 -16.414
277 HB3 SER 40 2HB SER 40 12.069 9.941 -16.192
278 HG SER 40 HG SER 40 10.446 9.310 -14.738
279 H SER 41 H SER 41 11.867 13.501 -15.690
280 HA SER 41 HA SER 41 11.369 15.288 -13.687
281 HB2 SER 41 1HB SER 41 9.917 15.292 -16.342
282 HB3 SER 41 2HB SER 41 10.265 16.687 -15.320
283 HG SER 41 HG SER 41 11.718 16.238 -17.185
284 H GLY 42 H GLY 42 8.877 13.440 -15.451
285 HA2 GLY 42 1HA GLY 42 6.642 13.114 -14.950
286 HA3 GLY 42 2HA GLY 42 7.313 12.617 -13.403
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -10.678 -14.109 0.355
2 HA2 GLY 1 1HA GLY 1 -12.301 -12.051 1.094
3 HA3 GLY 1 2HA GLY 1 -12.755 -13.738 1.288
4 H SER 2 H SER 2 -12.879 -11.027 2.896
5 HA SER 2 HA SER 2 -11.740 -11.920 5.421
6 HB2 SER 2 1HB SER 2 -13.268 -9.385 4.783
7 HB3 SER 2 2HB SER 2 -12.376 -9.718 6.267
8 HG SER 2 HG SER 2 -11.319 -9.443 3.649
9 H SER 3 H SER 3 -14.924 -11.056 4.100
10 HA SER 3 HA SER 3 -17.022 -11.762 4.644
11 HB2 SER 3 1HB SER 3 -15.761 -14.010 4.876
12 HB3 SER 3 2HB SER 3 -15.862 -13.721 6.613
13 HG SER 3 HG SER 3 -18.234 -13.343 6.020
14 H GLY 4 H GLY 4 -15.960 -9.544 5.929
15 HA2 GLY 4 1HA GLY 4 -17.674 -8.733 7.764
16 HA3 GLY 4 2HA GLY 4 -16.678 -9.791 8.752
17 H SER 5 H SER 5 -16.888 -7.175 9.442
18 HA SER 5 HA SER 5 -14.181 -6.344 9.485
19 HB2 SER 5 1HB SER 5 -14.524 -4.153 8.293
20 HB3 SER 5 2HB SER 5 -14.544 -5.566 7.238
21 HG SER 5 HG SER 5 -16.664 -5.334 6.932
22 H SER 6 H SER 6 -13.854 -5.169 11.270
23 HA SER 6 HA SER 6 -16.185 -3.853 12.503
24 HB2 SER 6 1HB SER 6 -13.918 -5.289 13.906
25 HB3 SER 6 2HB SER 6 -15.229 -4.424 14.708
26 HG SER 6 HG SER 6 -15.999 -6.333 12.858
27 H GLY 7 H GLY 7 -15.405 -1.965 11.284
28 HA2 GLY 7 1HA GLY 7 -14.430 0.083 12.605
29 HA3 GLY 7 2HA GLY 7 -12.928 -0.778 12.301
30 H GLN 8 H GLN 8 -15.439 1.178 10.944
31 HA GLN 8 HA GLN 8 -14.961 0.924 8.225
32 HB2 GLN 8 1HB GLN 8 -15.892 3.183 8.002
33 HB3 GLN 8 2HB GLN 8 -16.832 2.209 9.125
34 HG2 GLN 8 1HG GLN 8 -15.766 3.314 11.007
35 HG3 GLN 8 2HG GLN 8 -14.776 4.265 9.901
36 HE21 GLN 8 1HE2 GLN 8 -15.462 6.266 9.759
37 HE22 GLN 8 2HE2 GLN 8 -17.109 6.788 9.764
38 H LYS 9 H LYS 9 -13.382 1.531 6.880
39 HA LYS 9 HA LYS 9 -11.122 3.021 8.020
40 HB2 LYS 9 1HB LYS 9 -11.278 1.212 5.602
41 HB3 LYS 9 2HB LYS 9 -9.835 2.086 6.101
42 HG2 LYS 9 1HG LYS 9 -9.835 0.858 8.222
43 HG3 LYS 9 2HG LYS 9 -11.264 -0.034 7.694
44 HD2 LYS 9 1HD LYS 9 -9.924 -0.807 5.713
45 HD3 LYS 9 2HD LYS 9 -8.505 -0.091 6.482
46 HE2 LYS 9 1HE LYS 9 -10.258 -2.230 7.688
47 HE3 LYS 9 2HE LYS 9 -8.696 -2.507 6.919
48 HZ1 LYS 9 3HZ LYS 9 -8.899 -2.212 9.497
49 HZ2 LYS 9 1HZ LYS 9 -8.842 -0.567 9.109
50 HZ3 LYS 9 2HZ LYS 9 -7.571 -1.587 8.656
51 HA PRO 10 HA PRO 10 -12.911 6.260 5.368
52 HB2 PRO 10 1HB PRO 10 -11.764 8.301 6.741
53 HB3 PRO 10 2HB PRO 10 -13.265 7.523 7.255
54 HG2 PRO 10 1HG PRO 10 -10.471 7.081 8.234
55 HG3 PRO 10 2HG PRO 10 -11.974 7.214 9.164
56 HD2 PRO 10 1HD PRO 10 -10.822 4.832 8.592
57 HD3 PRO 10 2HD PRO 10 -12.580 5.031 8.738
58 H TYR 11 H TYR 11 -9.577 6.016 6.559
59 HA TYR 11 HA TYR 11 -8.478 7.634 4.477
60 HB2 TYR 11 1HB TYR 11 -7.006 5.642 6.206
61 HB3 TYR 11 2HB TYR 11 -6.331 7.035 5.370
62 HD1 TYR 11 HD1 TYR 11 -8.444 5.970 8.199
63 HD2 TYR 11 HD2 TYR 11 -6.440 9.222 6.325
64 HE1 TYR 11 HE1 TYR 11 -8.798 7.340 10.211
65 HE2 TYR 11 HE2 TYR 11 -6.787 10.600 8.332
66 HH TYR 11 HH TYR 11 -7.608 9.391 11.274
67 H VAL 12 H VAL 12 -8.845 6.911 2.449
68 HA VAL 12 HA VAL 12 -8.047 4.145 1.819
69 HB VAL 12 HB VAL 12 -9.955 5.955 0.332
70 HG11 VAL 12 1HG1 VAL 12 -8.907 3.206 -0.295
71 HG12 VAL 12 2HG1 VAL 12 -10.392 3.848 -1.000
72 HG13 VAL 12 3HG1 VAL 12 -8.851 4.652 -1.302
73 HG21 VAL 12 3HG2 VAL 12 -10.342 3.561 2.105
74 HG22 VAL 12 1HG2 VAL 12 -11.083 5.156 2.229
75 HG23 VAL 12 2HG2 VAL 12 -11.560 4.061 0.932
76 H CYS 13 H CYS 13 -6.541 3.766 0.271
77 HA CYS 13 HA CYS 13 -4.847 5.940 -0.504
78 HB2 CYS 13 1HB CYS 13 -4.211 3.472 0.013
79 HB3 CYS 13 2HB CYS 13 -4.663 3.174 -1.662
80 H ASN 14 H ASN 14 -4.718 6.995 -2.404
81 HA ASN 14 HA ASN 14 -6.817 6.488 -4.359
82 HB2 ASN 14 1HB ASN 14 -4.843 8.760 -4.059
83 HB3 ASN 14 2HB ASN 14 -6.041 8.658 -5.346
84 HD21 ASN 14 1HD2 ASN 14 -8.256 8.785 -4.801
85 HD22 ASN 14 2HD2 ASN 14 -8.766 9.541 -3.334
86 H GLU 15 H GLU 15 -3.773 5.390 -3.877
87 HA GLU 15 HA GLU 15 -2.930 5.476 -6.667
88 HB2 GLU 15 1HB GLU 15 -1.632 4.637 -4.099
89 HB3 GLU 15 2HB GLU 15 -0.979 4.076 -5.632
90 HG2 GLU 15 1HG GLU 15 -1.437 6.979 -5.016
91 HG3 GLU 15 2HG GLU 15 0.075 6.144 -4.664
92 H CYS 16 H CYS 16 -3.727 3.069 -4.179
93 HA CYS 16 HA CYS 16 -4.164 1.112 -6.339
94 HB2 CYS 16 1HB CYS 16 -3.646 -0.648 -4.671
95 HB3 CYS 16 2HB CYS 16 -2.286 0.432 -4.961
96 H GLY 17 H GLY 17 -5.303 2.361 -3.243
97 HA2 GLY 17 1HA GLY 17 -7.719 2.695 -3.027
98 HA3 GLY 17 2HA GLY 17 -7.931 1.149 -3.835
99 H LYS 18 H LYS 18 -5.392 1.372 -1.530
100 HA LYS 18 HA LYS 18 -6.675 -0.587 0.144
101 HB2 LYS 18 1HB LYS 18 -4.117 -0.233 -0.479
102 HB3 LYS 18 2HB LYS 18 -4.149 0.768 0.967
103 HG2 LYS 18 1HG LYS 18 -4.461 -1.005 2.360
104 HG3 LYS 18 2HG LYS 18 -5.313 -1.956 1.141
105 HD2 LYS 18 1HD LYS 18 -3.024 -2.029 -0.061
106 HD3 LYS 18 2HD LYS 18 -2.364 -1.551 1.505
107 HE2 LYS 18 1HE LYS 18 -2.250 -3.889 1.509
108 HE3 LYS 18 2HE LYS 18 -3.686 -3.517 2.461
109 HZ1 LYS 18 3HZ LYS 18 -5.082 -4.096 0.667
110 HZ2 LYS 18 1HZ LYS 18 -3.938 -5.338 0.781
111 HZ3 LYS 18 2HZ LYS 18 -3.795 -4.164 -0.429
112 H ALA 19 H ALA 19 -7.779 -0.246 1.963
113 HA ALA 19 HA ALA 19 -8.012 2.498 2.948
114 HB1 ALA 19 3HB ALA 19 -10.083 1.330 2.429
115 HB2 ALA 19 1HB ALA 19 -9.666 0.055 3.574
116 HB3 ALA 19 2HB ALA 19 -9.985 1.691 4.153
117 H PHE 20 H PHE 20 -7.740 3.046 5.127
118 HA PHE 20 HA PHE 20 -6.541 1.033 6.881
119 HB2 PHE 20 1HB PHE 20 -5.289 3.749 6.437
120 HB3 PHE 20 2HB PHE 20 -4.676 2.456 7.463
121 HD1 PHE 20 HD1 PHE 20 -5.438 3.306 3.932
122 HD2 PHE 20 HD2 PHE 20 -3.202 0.870 6.612
123 HE1 PHE 20 HE1 PHE 20 -4.125 2.438 2.042
124 HE2 PHE 20 HE2 PHE 20 -1.885 -0.002 4.726
125 HZ PHE 20 HZ PHE 20 -2.345 0.782 2.437
126 H GLY 21 H GLY 21 -7.814 1.022 8.612
127 HA2 GLY 21 1HA GLY 21 -9.681 2.858 9.391
128 HA3 GLY 21 2HA GLY 21 -8.860 1.787 10.517
129 H LEU 22 H LEU 22 -6.259 3.153 9.705
130 HA LEU 22 HA LEU 22 -6.623 5.545 11.387
131 HB2 LEU 22 1HB LEU 22 -4.547 3.434 11.320
132 HB3 LEU 22 2HB LEU 22 -4.005 5.081 11.639
133 HG LEU 22 HG LEU 22 -6.051 3.566 13.260
134 HD11 LEU 22 1HD1 LEU 22 -3.111 3.916 13.492
135 HD12 LEU 22 2HD1 LEU 22 -4.125 2.534 13.907
136 HD13 LEU 22 3HD1 LEU 22 -4.073 3.940 14.970
137 HD21 LEU 22 3HD2 LEU 22 -6.585 5.838 13.464
138 HD22 LEU 22 1HD2 LEU 22 -4.891 6.327 13.467
139 HD23 LEU 22 2HD2 LEU 22 -5.570 5.493 14.865
140 H LYS 23 H LYS 23 -5.178 7.346 10.960
141 HA LYS 23 HA LYS 23 -5.003 7.917 8.167
142 HB2 LYS 23 1HB LYS 23 -5.502 9.594 9.984
143 HB3 LYS 23 2HB LYS 23 -3.806 9.506 10.439
144 HG2 LYS 23 1HG LYS 23 -3.132 10.362 8.296
145 HG3 LYS 23 2HG LYS 23 -4.799 10.318 7.715
146 HD2 LYS 23 1HD LYS 23 -5.436 11.983 9.377
147 HD3 LYS 23 2HD LYS 23 -3.787 12.004 10.006
148 HE2 LYS 23 1HE LYS 23 -2.953 12.885 7.928
149 HE3 LYS 23 2HE LYS 23 -4.536 12.713 7.172
150 HZ1 LYS 23 3HZ LYS 23 -3.926 15.008 7.951
151 HZ2 LYS 23 1HZ LYS 23 -4.077 14.438 9.536
152 HZ3 LYS 23 2HZ LYS 23 -5.415 14.425 8.502
153 H SER 24 H SER 24 -2.455 8.029 10.663
154 HA SER 24 HA SER 24 -0.258 8.180 9.050
155 HB2 SER 24 1HB SER 24 -0.725 6.954 11.735
156 HB3 SER 24 2HB SER 24 0.827 6.680 10.945
157 HG SER 24 HG SER 24 -0.351 9.207 11.487
158 H GLN 25 H GLN 25 -2.074 5.279 9.910
159 HA GLN 25 HA GLN 25 -0.418 3.305 8.943
160 HB2 GLN 25 1HB GLN 25 -3.428 3.509 8.887
161 HB3 GLN 25 2HB GLN 25 -2.560 2.050 8.424
162 HG2 GLN 25 1HG GLN 25 -2.553 3.382 11.122
163 HG3 GLN 25 2HG GLN 25 -3.307 1.847 10.692
164 HE21 GLN 25 1HE2 GLN 25 -1.256 2.497 12.697
165 HE22 GLN 25 2HE2 GLN 25 0.087 1.473 12.337
166 H LEU 26 H LEU 26 -2.657 5.362 7.141
167 HA LEU 26 HA LEU 26 -2.126 4.064 4.633
168 HB2 LEU 26 1HB LEU 26 -4.269 5.058 4.930
169 HB3 LEU 26 2HB LEU 26 -3.554 6.607 5.372
170 HG LEU 26 HG LEU 26 -2.659 6.715 3.003
171 HD11 LEU 26 1HD1 LEU 26 -3.053 4.235 2.631
172 HD12 LEU 26 2HD1 LEU 26 -3.556 5.322 1.336
173 HD13 LEU 26 3HD1 LEU 26 -4.758 4.643 2.433
174 HD21 LEU 26 3HD2 LEU 26 -5.659 6.639 3.124
175 HD22 LEU 26 1HD2 LEU 26 -4.618 7.721 2.198
176 HD23 LEU 26 2HD2 LEU 26 -4.719 7.882 3.951
177 H ILE 27 H ILE 27 -1.007 6.954 6.298
178 HA ILE 27 HA ILE 27 0.343 8.204 4.205
179 HB ILE 27 HB ILE 27 1.303 8.163 7.063
180 HG12 ILE 27 1HG1 ILE 27 -0.908 9.787 5.793
181 HG13 ILE 27 2HG1 ILE 27 -1.061 8.646 7.125
182 HG21 ILE 27 1HG2 ILE 27 2.778 9.665 6.368
183 HG22 ILE 27 2HG2 ILE 27 2.168 9.506 4.722
184 HG23 ILE 27 3HG2 ILE 27 1.467 10.704 5.808
185 HD11 ILE 27 3HD1 ILE 27 0.132 11.385 7.118
186 HD12 ILE 27 1HD1 ILE 27 -1.122 10.714 8.161
187 HD13 ILE 27 2HD1 ILE 27 0.557 10.212 8.364
188 H ILE 28 H ILE 28 1.406 5.647 6.403
189 HA ILE 28 HA ILE 28 4.087 5.570 5.446
190 HB ILE 28 HB ILE 28 2.540 3.409 6.882
191 HG12 ILE 28 1HG1 ILE 28 4.523 5.190 8.227
192 HG13 ILE 28 2HG1 ILE 28 2.913 5.826 7.909
193 HG21 ILE 28 1HG2 ILE 28 5.512 3.766 6.920
194 HG22 ILE 28 2HG2 ILE 28 4.557 2.336 7.305
195 HG23 ILE 28 3HG2 ILE 28 4.725 2.858 5.629
196 HD11 ILE 28 3HD1 ILE 28 3.289 3.205 9.299
197 HD12 ILE 28 1HD1 ILE 28 3.376 4.732 10.177
198 HD13 ILE 28 2HD1 ILE 28 1.898 4.289 9.322
199 H HIS 29 H HIS 29 1.103 3.986 4.530
200 HA HIS 29 HA HIS 29 2.306 2.009 2.862
201 HB2 HIS 29 1HB HIS 29 0.116 1.548 3.680
202 HB3 HIS 29 2HB HIS 29 -0.507 3.081 3.076
203 HD1 HIS 29 HD1 HIS 29 0.710 -0.271 1.817
204 HD2 HIS 29 HD2 HIS 29 -1.498 3.002 0.523
205 HE1 HIS 29 HE1 HIS 29 -0.260 -0.949 -0.401
206 H GLU 30 H GLU 30 0.628 5.075 2.179
207 HA GLU 30 HA GLU 30 0.796 5.096 -0.567
208 HB2 GLU 30 1HB GLU 30 1.119 7.448 1.306
209 HB3 GLU 30 2HB GLU 30 0.760 7.564 -0.411
210 HG2 GLU 30 1HG GLU 30 -1.381 6.650 -0.139
211 HG3 GLU 30 2HG GLU 30 -1.011 6.055 1.479
212 H ARG 31 H ARG 31 3.348 5.262 1.695
213 HA ARG 31 HA ARG 31 5.269 6.734 0.289
214 HB2 ARG 31 1HB ARG 31 5.604 4.419 2.202
215 HB3 ARG 31 2HB ARG 31 6.929 5.421 1.626
216 HG2 ARG 31 1HG ARG 31 5.879 7.385 2.642
217 HG3 ARG 31 2HG ARG 31 4.565 6.367 3.233
218 HD2 ARG 31 1HD ARG 31 5.961 6.509 5.076
219 HD3 ARG 31 2HD ARG 31 6.453 4.986 4.337
220 HE ARG 31 HE ARG 31 8.161 6.716 3.217
221 HH11 ARG 31 1HH1 ARG 31 7.193 6.230 6.525
222 HH12 ARG 31 2HH1 ARG 31 8.712 6.743 7.182
223 HH21 ARG 31 1HH2 ARG 31 10.166 7.394 4.069
224 HH22 ARG 31 2HH2 ARG 31 10.402 7.405 5.784
225 H ILE 32 H ILE 32 4.155 3.448 -0.079
226 HA ILE 32 HA ILE 32 6.265 2.378 -1.566
227 HB ILE 32 HB ILE 32 4.775 0.678 -2.293
228 HG12 ILE 32 1HG1 ILE 32 2.454 2.431 -1.470
229 HG13 ILE 32 2HG1 ILE 32 3.016 2.265 -3.129
230 HG21 ILE 32 1HG2 ILE 32 4.945 0.053 -0.151
231 HG22 ILE 32 2HG2 ILE 32 4.593 1.673 0.448
232 HG23 ILE 32 3HG2 ILE 32 3.274 0.597 -0.013
233 HD11 ILE 32 3HD1 ILE 32 2.546 -0.154 -3.001
234 HD12 ILE 32 1HD1 ILE 32 1.882 0.093 -1.386
235 HD13 ILE 32 2HD1 ILE 32 1.114 0.851 -2.782
236 H HIS 33 H HIS 33 3.674 4.527 -2.482
237 HA HIS 33 HA HIS 33 4.262 4.256 -5.318
238 HB2 HIS 33 1HB HIS 33 2.336 6.162 -3.979
239 HB3 HIS 33 2HB HIS 33 2.383 5.722 -5.684
240 HD1 HIS 33 HD1 HIS 33 1.988 2.979 -6.044
241 HD2 HIS 33 HD2 HIS 33 0.493 4.756 -2.598
242 HE1 HIS 33 HE1 HIS 33 0.228 1.403 -5.183
243 H THR 34 H THR 34 4.424 6.749 -2.796
244 HA THR 34 HA THR 34 5.247 8.954 -4.093
245 HB THR 34 HB THR 34 6.591 9.590 -2.173
246 HG1 THR 34 HG1 THR 34 7.510 7.337 -2.016
247 HG21 THR 34 3HG2 THR 34 4.913 9.550 -0.553
248 HG22 THR 34 1HG2 THR 34 4.361 7.943 -1.024
249 HG23 THR 34 2HG2 THR 34 4.020 9.331 -2.057
250 H GLY 35 H GLY 35 7.064 5.997 -3.782
251 HA2 GLY 35 1HA GLY 35 9.507 7.205 -4.800
252 HA3 GLY 35 2HA GLY 35 9.284 5.521 -4.349
253 H GLU 36 H GLU 36 8.651 4.039 -5.874
254 HA GLU 36 HA GLU 36 9.187 4.690 -8.586
255 HB2 GLU 36 1HB GLU 36 8.711 2.385 -9.067
256 HB3 GLU 36 2HB GLU 36 9.601 2.457 -7.552
257 HG2 GLU 36 1HG GLU 36 7.959 0.921 -7.081
258 HG3 GLU 36 2HG GLU 36 7.259 2.412 -6.455
259 H SER 37 H SER 37 7.804 4.768 -10.358
260 HA SER 37 HA SER 37 4.983 5.284 -9.686
261 HB2 SER 37 1HB SER 37 4.949 6.671 -11.766
262 HB3 SER 37 2HB SER 37 6.068 7.272 -10.542
263 HG SER 37 HG SER 37 7.766 6.348 -11.702
264 H GLY 38 H GLY 38 7.012 4.118 -12.383
265 HA2 GLY 38 1HA GLY 38 6.725 2.182 -13.645
266 HA3 GLY 38 2HA GLY 38 5.229 1.869 -12.776
267 HA PRO 39 HA PRO 39 4.169 3.196 -17.094
268 HB2 PRO 39 1HB PRO 39 2.378 1.201 -17.521
269 HB3 PRO 39 2HB PRO 39 4.108 1.022 -17.833
270 HG2 PRO 39 1HG PRO 39 2.507 0.124 -15.469
271 HG3 PRO 39 2HG PRO 39 3.779 -0.741 -16.352
272 HD2 PRO 39 1HD PRO 39 4.237 0.513 -13.996
273 HD3 PRO 39 2HD PRO 39 5.473 0.381 -15.264
274 H SER 40 H SER 40 1.701 3.172 -17.947
275 HA SER 40 HA SER 40 -0.308 4.230 -17.780
276 HB2 SER 40 1HB SER 40 -0.179 2.847 -15.099
277 HB3 SER 40 2HB SER 40 -1.597 3.750 -15.633
278 HG SER 40 HG SER 40 -0.612 1.307 -16.497
279 H SER 41 H SER 41 1.827 5.901 -17.390
280 HA SER 41 HA SER 41 0.751 7.793 -15.410
281 HB2 SER 41 1HB SER 41 3.579 6.881 -15.789
282 HB3 SER 41 2HB SER 41 3.274 8.532 -15.252
283 HG SER 41 HG SER 41 3.358 7.410 -13.401
284 H GLY 42 H GLY 42 -0.372 8.712 -17.236
285 HA2 GLY 42 1HA GLY 42 0.663 11.017 -18.253
286 HA3 GLY 42 2HA GLY 42 1.129 9.803 -19.436
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.933 -18.017 2.708
2 HA2 GLY 1 1HA GLY 1 -9.912 -15.484 3.536
3 HA3 GLY 1 2HA GLY 1 -10.098 -15.555 1.790
4 H SER 2 H SER 2 -11.741 -15.499 4.858
5 HA SER 2 HA SER 2 -14.377 -15.772 3.763
6 HB2 SER 2 1HB SER 2 -13.290 -15.019 6.465
7 HB3 SER 2 2HB SER 2 -15.010 -14.869 6.109
8 HG SER 2 HG SER 2 -14.837 -16.891 6.861
9 H SER 3 H SER 3 -15.861 -14.209 3.285
10 HA SER 3 HA SER 3 -14.793 -11.536 2.844
11 HB2 SER 3 1HB SER 3 -16.859 -11.175 1.532
12 HB3 SER 3 2HB SER 3 -15.982 -12.608 0.995
13 HG SER 3 HG SER 3 -18.475 -12.392 2.106
14 H GLY 4 H GLY 4 -15.585 -9.676 3.758
15 HA2 GLY 4 1HA GLY 4 -17.825 -9.005 5.010
16 HA3 GLY 4 2HA GLY 4 -17.100 -10.050 6.223
17 H SER 5 H SER 5 -17.583 -6.958 5.601
18 HA SER 5 HA SER 5 -15.184 -5.609 5.664
19 HB2 SER 5 1HB SER 5 -17.862 -4.976 6.886
20 HB3 SER 5 2HB SER 5 -16.500 -3.867 7.043
21 HG SER 5 HG SER 5 -16.519 -3.512 4.903
22 H SER 6 H SER 6 -13.783 -4.900 7.255
23 HA SER 6 HA SER 6 -14.077 -6.185 9.891
24 HB2 SER 6 1HB SER 6 -11.659 -5.942 8.117
25 HB3 SER 6 2HB SER 6 -11.485 -6.143 9.861
26 HG SER 6 HG SER 6 -12.754 -7.896 8.030
27 H GLY 7 H GLY 7 -15.075 -3.650 9.418
28 HA2 GLY 7 1HA GLY 7 -14.851 -1.939 11.189
29 HA3 GLY 7 2HA GLY 7 -13.125 -1.959 10.858
30 H GLN 8 H GLN 8 -14.425 0.421 10.835
31 HA GLN 8 HA GLN 8 -15.036 1.057 8.051
32 HB2 GLN 8 1HB GLN 8 -15.734 3.249 8.922
33 HB3 GLN 8 2HB GLN 8 -16.560 1.928 9.738
34 HG2 GLN 8 1HG GLN 8 -14.789 2.145 11.546
35 HG3 GLN 8 2HG GLN 8 -14.355 3.672 10.779
36 HE21 GLN 8 1HE2 GLN 8 -15.195 3.622 13.371
37 HE22 GLN 8 2HE2 GLN 8 -16.757 4.349 13.498
38 H LYS 9 H LYS 9 -13.264 1.347 6.847
39 HA LYS 9 HA LYS 9 -11.013 2.856 7.977
40 HB2 LYS 9 1HB LYS 9 -11.168 1.093 5.526
41 HB3 LYS 9 2HB LYS 9 -9.731 1.966 6.041
42 HG2 LYS 9 1HG LYS 9 -9.870 0.693 8.208
43 HG3 LYS 9 2HG LYS 9 -11.114 -0.302 7.447
44 HD2 LYS 9 1HD LYS 9 -9.266 -0.486 5.550
45 HD3 LYS 9 2HD LYS 9 -8.193 -0.160 6.913
46 HE2 LYS 9 1HE LYS 9 -8.889 -2.091 8.058
47 HE3 LYS 9 2HE LYS 9 -10.310 -2.287 7.033
48 HZ1 LYS 9 3HZ LYS 9 -7.656 -3.258 6.647
49 HZ2 LYS 9 1HZ LYS 9 -8.195 -2.381 5.304
50 HZ3 LYS 9 2HZ LYS 9 -9.088 -3.704 5.864
51 HA PRO 10 HA PRO 10 -12.886 6.106 5.400
52 HB2 PRO 10 1HB PRO 10 -11.743 8.144 6.782
53 HB3 PRO 10 2HB PRO 10 -13.225 7.338 7.309
54 HG2 PRO 10 1HG PRO 10 -10.409 6.921 8.235
55 HG3 PRO 10 2HG PRO 10 -11.898 7.021 9.193
56 HD2 PRO 10 1HD PRO 10 -10.724 4.662 8.568
57 HD3 PRO 10 2HD PRO 10 -12.482 4.836 8.746
58 H TYR 11 H TYR 11 -9.529 5.966 6.561
59 HA TYR 11 HA TYR 11 -8.490 7.602 4.475
60 HB2 TYR 11 1HB TYR 11 -6.973 5.611 6.169
61 HB3 TYR 11 2HB TYR 11 -6.314 7.004 5.318
62 HD1 TYR 11 HD1 TYR 11 -8.410 5.953 8.171
63 HD2 TYR 11 HD2 TYR 11 -6.382 9.182 6.281
64 HE1 TYR 11 HE1 TYR 11 -8.735 7.328 10.184
65 HE2 TYR 11 HE2 TYR 11 -6.700 10.565 8.290
66 HH TYR 11 HH TYR 11 -7.199 10.434 10.556
67 H VAL 12 H VAL 12 -8.986 6.860 2.461
68 HA VAL 12 HA VAL 12 -8.147 4.125 1.772
69 HB VAL 12 HB VAL 12 -10.030 5.976 0.303
70 HG11 VAL 12 1HG1 VAL 12 -9.463 4.747 -1.479
71 HG12 VAL 12 2HG1 VAL 12 -8.645 3.532 -0.495
72 HG13 VAL 12 3HG1 VAL 12 -10.394 3.459 -0.715
73 HG21 VAL 12 3HG2 VAL 12 -11.060 3.416 1.225
74 HG22 VAL 12 1HG2 VAL 12 -10.517 4.451 2.546
75 HG23 VAL 12 2HG2 VAL 12 -11.730 5.037 1.409
76 H CYS 13 H CYS 13 -6.569 3.776 0.318
77 HA CYS 13 HA CYS 13 -4.900 5.954 -0.469
78 HB2 CYS 13 1HB CYS 13 -4.265 3.482 0.054
79 HB3 CYS 13 2HB CYS 13 -4.681 3.195 -1.632
80 H ASN 14 H ASN 14 -4.757 7.007 -2.369
81 HA ASN 14 HA ASN 14 -6.831 6.481 -4.347
82 HB2 ASN 14 1HB ASN 14 -4.868 8.770 -4.086
83 HB3 ASN 14 2HB ASN 14 -6.132 8.660 -5.308
84 HD21 ASN 14 1HD2 ASN 14 -7.227 10.463 -4.656
85 HD22 ASN 14 2HD2 ASN 14 -8.084 10.562 -3.159
86 H GLU 15 H GLU 15 -3.795 5.396 -3.831
87 HA GLU 15 HA GLU 15 -2.922 5.494 -6.614
88 HB2 GLU 15 1HB GLU 15 -1.628 4.671 -4.036
89 HB3 GLU 15 2HB GLU 15 -0.949 4.147 -5.571
90 HG2 GLU 15 1HG GLU 15 0.248 6.056 -5.173
91 HG3 GLU 15 2HG GLU 15 -1.064 6.673 -6.176
92 H CYS 16 H CYS 16 -3.770 3.113 -4.126
93 HA CYS 16 HA CYS 16 -4.125 1.125 -6.273
94 HB2 CYS 16 1HB CYS 16 -3.601 -0.616 -4.602
95 HB3 CYS 16 2HB CYS 16 -2.259 0.499 -4.835
96 H GLY 17 H GLY 17 -5.334 2.389 -3.209
97 HA2 GLY 17 1HA GLY 17 -7.748 2.700 -3.019
98 HA3 GLY 17 2HA GLY 17 -7.943 1.163 -3.848
99 H LYS 18 H LYS 18 -5.459 1.422 -1.469
100 HA LYS 18 HA LYS 18 -6.784 -0.563 0.162
101 HB2 LYS 18 1HB LYS 18 -4.232 -0.324 -0.446
102 HB3 LYS 18 2HB LYS 18 -4.211 0.743 0.952
103 HG2 LYS 18 1HG LYS 18 -4.697 -0.964 2.430
104 HG3 LYS 18 2HG LYS 18 -5.400 -1.987 1.175
105 HD2 LYS 18 1HD LYS 18 -3.124 -2.225 0.188
106 HD3 LYS 18 2HD LYS 18 -2.480 -1.341 1.574
107 HE2 LYS 18 1HE LYS 18 -3.129 -3.050 3.078
108 HE3 LYS 18 2HE LYS 18 -4.130 -3.841 1.862
109 HZ1 LYS 18 3HZ LYS 18 -1.424 -4.284 2.442
110 HZ2 LYS 18 1HZ LYS 18 -1.528 -3.682 0.864
111 HZ3 LYS 18 2HZ LYS 18 -2.394 -5.067 1.299
112 H ALA 19 H ALA 19 -7.889 -0.206 1.977
113 HA ALA 19 HA ALA 19 -8.049 2.535 2.984
114 HB1 ALA 19 3HB ALA 19 -10.122 1.271 2.395
115 HB2 ALA 19 1HB ALA 19 -9.776 0.186 3.741
116 HB3 ALA 19 2HB ALA 19 -10.091 1.895 4.044
117 H PHE 20 H PHE 20 -7.649 3.093 5.109
118 HA PHE 20 HA PHE 20 -6.547 1.014 6.863
119 HB2 PHE 20 1HB PHE 20 -5.265 3.720 6.439
120 HB3 PHE 20 2HB PHE 20 -4.679 2.434 7.489
121 HD1 PHE 20 HD1 PHE 20 -5.368 3.263 3.941
122 HD2 PHE 20 HD2 PHE 20 -3.219 0.812 6.677
123 HE1 PHE 20 HE1 PHE 20 -4.035 2.361 2.080
124 HE2 PHE 20 HE2 PHE 20 -1.882 -0.093 4.821
125 HZ PHE 20 HZ PHE 20 -2.288 0.682 2.519
126 H GLY 21 H GLY 21 -7.766 0.990 8.629
127 HA2 GLY 21 1HA GLY 21 -9.644 2.813 9.429
128 HA3 GLY 21 2HA GLY 21 -8.812 1.735 10.540
129 H LEU 22 H LEU 22 -6.225 3.127 9.702
130 HA LEU 22 HA LEU 22 -6.583 5.502 11.411
131 HB2 LEU 22 1HB LEU 22 -4.508 3.392 11.325
132 HB3 LEU 22 2HB LEU 22 -3.961 5.037 11.642
133 HG LEU 22 HG LEU 22 -6.004 3.532 13.276
134 HD11 LEU 22 1HD1 LEU 22 -3.195 3.319 13.249
135 HD12 LEU 22 2HD1 LEU 22 -4.329 2.641 14.417
136 HD13 LEU 22 3HD1 LEU 22 -3.629 4.236 14.692
137 HD21 LEU 22 3HD2 LEU 22 -5.424 5.466 14.881
138 HD22 LEU 22 1HD2 LEU 22 -6.533 5.779 13.545
139 HD23 LEU 22 2HD2 LEU 22 -4.849 6.292 13.432
140 H LYS 23 H LYS 23 -5.150 7.309 10.985
141 HA LYS 23 HA LYS 23 -4.989 7.897 8.197
142 HB2 LYS 23 1HB LYS 23 -5.486 9.572 10.002
143 HB3 LYS 23 2HB LYS 23 -3.800 9.465 10.490
144 HG2 LYS 23 1HG LYS 23 -3.073 10.342 8.380
145 HG3 LYS 23 2HG LYS 23 -4.720 10.297 7.747
146 HD2 LYS 23 1HD LYS 23 -5.265 11.838 9.764
147 HD3 LYS 23 2HD LYS 23 -3.524 12.131 9.790
148 HE2 LYS 23 1HE LYS 23 -4.163 13.812 8.389
149 HE3 LYS 23 2HE LYS 23 -3.923 12.529 7.204
150 HZ1 LYS 23 3HZ LYS 23 -6.570 12.593 8.338
151 HZ2 LYS 23 1HZ LYS 23 -6.088 12.475 6.721
152 HZ3 LYS 23 2HZ LYS 23 -6.173 13.990 7.469
153 H SER 24 H SER 24 -2.430 7.975 10.684
154 HA SER 24 HA SER 24 -0.236 8.158 9.077
155 HB2 SER 24 1HB SER 24 1.061 7.323 10.874
156 HB3 SER 24 2HB SER 24 -0.344 8.069 11.635
157 HG SER 24 HG SER 24 -1.267 5.907 11.659
158 H GLN 25 H GLN 25 -2.026 5.220 9.892
159 HA GLN 25 HA GLN 25 -0.383 3.280 8.854
160 HB2 GLN 25 1HB GLN 25 -3.393 3.481 8.813
161 HB3 GLN 25 2HB GLN 25 -2.524 2.036 8.313
162 HG2 GLN 25 1HG GLN 25 -2.525 3.300 11.042
163 HG3 GLN 25 2HG GLN 25 -3.257 1.766 10.573
164 HE21 GLN 25 1HE2 GLN 25 -1.158 2.484 12.563
165 HE22 GLN 25 2HE2 GLN 25 0.177 1.453 12.192
166 H LEU 26 H LEU 26 -2.641 5.372 7.114
167 HA LEU 26 HA LEU 26 -2.143 4.143 4.573
168 HB2 LEU 26 1HB LEU 26 -4.257 5.182 4.911
169 HB3 LEU 26 2HB LEU 26 -3.502 6.700 5.389
170 HG LEU 26 HG LEU 26 -2.627 6.867 3.023
171 HD11 LEU 26 1HD1 LEU 26 -3.192 5.395 1.413
172 HD12 LEU 26 2HD1 LEU 26 -4.780 5.075 2.109
173 HD13 LEU 26 3HD1 LEU 26 -3.351 4.289 2.778
174 HD21 LEU 26 3HD2 LEU 26 -4.425 8.115 2.455
175 HD22 LEU 26 1HD2 LEU 26 -4.883 7.797 4.128
176 HD23 LEU 26 2HD2 LEU 26 -5.576 6.830 2.826
177 H ILE 27 H ILE 27 -1.012 7.042 6.243
178 HA ILE 27 HA ILE 27 0.385 8.256 4.170
179 HB ILE 27 HB ILE 27 1.258 8.199 7.059
180 HG12 ILE 27 1HG1 ILE 27 -0.709 10.039 5.678
181 HG13 ILE 27 2HG1 ILE 27 -1.116 8.811 6.871
182 HG21 ILE 27 1HG2 ILE 27 2.957 9.367 6.172
183 HG22 ILE 27 2HG2 ILE 27 2.083 9.696 4.677
184 HG23 ILE 27 3HG2 ILE 27 1.789 10.686 6.106
185 HD11 ILE 27 3HD1 ILE 27 0.898 10.596 7.887
186 HD12 ILE 27 1HD1 ILE 27 -0.522 11.484 7.336
187 HD13 ILE 27 2HD1 ILE 27 -0.694 10.203 8.537
188 H ILE 28 H ILE 28 1.429 5.724 6.414
189 HA ILE 28 HA ILE 28 4.103 5.601 5.454
190 HB ILE 28 HB ILE 28 2.530 3.476 6.914
191 HG12 ILE 28 1HG1 ILE 28 4.542 5.238 8.239
192 HG13 ILE 28 2HG1 ILE 28 2.946 5.902 7.910
193 HG21 ILE 28 1HG2 ILE 28 5.511 3.802 6.901
194 HG22 ILE 28 2HG2 ILE 28 4.552 2.402 7.378
195 HG23 ILE 28 3HG2 ILE 28 4.681 2.843 5.676
196 HD11 ILE 28 3HD1 ILE 28 1.984 3.944 9.132
197 HD12 ILE 28 1HD1 ILE 28 3.629 3.522 9.609
198 HD13 ILE 28 2HD1 ILE 28 2.928 5.058 10.121
199 H HIS 29 H HIS 29 1.105 4.046 4.543
200 HA HIS 29 HA HIS 29 2.287 2.030 2.906
201 HB2 HIS 29 1HB HIS 29 0.078 1.632 3.728
202 HB3 HIS 29 2HB HIS 29 -0.512 3.153 3.066
203 HD1 HIS 29 HD1 HIS 29 0.631 -0.271 1.956
204 HD2 HIS 29 HD2 HIS 29 -1.428 3.023 0.481
205 HE1 HIS 29 HE1 HIS 29 -0.308 -1.002 -0.260
206 H GLU 30 H GLU 30 0.584 5.067 2.133
207 HA GLU 30 HA GLU 30 0.801 5.062 -0.596
208 HB2 GLU 30 1HB GLU 30 1.158 7.455 1.218
209 HB3 GLU 30 2HB GLU 30 0.753 7.518 -0.492
210 HG2 GLU 30 1HG GLU 30 -1.385 6.645 -0.139
211 HG3 GLU 30 2HG GLU 30 -0.976 6.062 1.473
212 H ARG 31 H ARG 31 3.337 5.276 1.691
213 HA ARG 31 HA ARG 31 5.286 6.707 0.316
214 HB2 ARG 31 1HB ARG 31 5.581 4.336 2.166
215 HB3 ARG 31 2HB ARG 31 6.922 5.335 1.622
216 HG2 ARG 31 1HG ARG 31 5.931 7.279 2.701
217 HG3 ARG 31 2HG ARG 31 4.560 6.297 3.223
218 HD2 ARG 31 1HD ARG 31 5.938 6.357 5.100
219 HD3 ARG 31 2HD ARG 31 6.322 4.807 4.352
220 HE ARG 31 HE ARG 31 8.184 6.385 3.276
221 HH11 ARG 31 1HH1 ARG 31 7.102 6.038 6.567
222 HH12 ARG 31 2HH1 ARG 31 8.640 6.447 7.253
223 HH21 ARG 31 1HH2 ARG 31 10.213 6.925 4.167
224 HH22 ARG 31 2HH2 ARG 31 10.408 6.952 5.887
225 H ILE 32 H ILE 32 4.249 3.366 -0.032
226 HA ILE 32 HA ILE 32 6.318 2.366 -1.593
227 HB ILE 32 HB ILE 32 4.818 0.668 -2.350
228 HG12 ILE 32 1HG1 ILE 32 2.496 2.301 -1.322
229 HG13 ILE 32 2HG1 ILE 32 3.006 2.321 -3.007
230 HG21 ILE 32 1HG2 ILE 32 3.803 -0.071 -0.244
231 HG22 ILE 32 2HG2 ILE 32 5.436 0.548 -0.003
232 HG23 ILE 32 3HG2 ILE 32 4.044 1.540 0.430
233 HD11 ILE 32 3HD1 ILE 32 1.469 0.703 -3.204
234 HD12 ILE 32 1HD1 ILE 32 2.769 -0.329 -2.609
235 HD13 ILE 32 2HD1 ILE 32 1.542 0.275 -1.495
236 H HIS 33 H HIS 33 3.693 4.498 -2.439
237 HA HIS 33 HA HIS 33 4.230 4.264 -5.288
238 HB2 HIS 33 1HB HIS 33 2.318 6.141 -3.890
239 HB3 HIS 33 2HB HIS 33 2.337 5.726 -5.601
240 HD1 HIS 33 HD1 HIS 33 2.019 2.940 -5.939
241 HD2 HIS 33 HD2 HIS 33 0.441 4.752 -2.549
242 HE1 HIS 33 HE1 HIS 33 0.267 1.353 -5.082
243 H THR 34 H THR 34 4.441 6.720 -2.735
244 HA THR 34 HA THR 34 5.243 8.934 -4.065
245 HB THR 34 HB THR 34 6.516 9.621 -2.129
246 HG1 THR 34 HG1 THR 34 7.743 7.848 -1.629
247 HG21 THR 34 3HG2 THR 34 3.971 9.316 -2.017
248 HG22 THR 34 1HG2 THR 34 4.838 9.492 -0.492
249 HG23 THR 34 2HG2 THR 34 4.313 7.896 -1.030
250 H GLY 35 H GLY 35 7.270 6.129 -3.317
251 HA2 GLY 35 1HA GLY 35 9.127 7.006 -5.410
252 HA3 GLY 35 2HA GLY 35 9.777 6.701 -3.806
253 H GLU 36 H GLU 36 9.468 5.380 -6.757
254 HA GLU 36 HA GLU 36 8.727 2.697 -6.082
255 HB2 GLU 36 1HB GLU 36 8.537 3.804 -8.372
256 HB3 GLU 36 2HB GLU 36 10.271 3.557 -8.524
257 HG2 GLU 36 1HG GLU 36 8.825 1.822 -9.608
258 HG3 GLU 36 2HG GLU 36 10.040 1.209 -8.487
259 H SER 37 H SER 37 9.963 1.079 -5.365
260 HA SER 37 HA SER 37 12.884 1.347 -5.523
261 HB2 SER 37 1HB SER 37 11.863 1.990 -3.233
262 HB3 SER 37 2HB SER 37 11.561 0.263 -3.045
263 HG SER 37 HG SER 37 13.688 -0.123 -2.982
264 H GLY 38 H GLY 38 13.975 -0.778 -4.923
265 HA2 GLY 38 1HA GLY 38 14.079 -3.113 -4.995
266 HA3 GLY 38 2HA GLY 38 12.370 -3.154 -5.401
267 HA PRO 39 HA PRO 39 15.335 -3.445 -9.193
268 HB2 PRO 39 1HB PRO 39 15.840 -6.111 -9.287
269 HB3 PRO 39 2HB PRO 39 16.893 -4.963 -8.453
270 HG2 PRO 39 1HG PRO 39 14.789 -6.769 -7.324
271 HG3 PRO 39 2HG PRO 39 16.413 -6.418 -6.704
272 HD2 PRO 39 1HD PRO 39 14.185 -5.252 -5.699
273 HD3 PRO 39 2HD PRO 39 15.755 -4.424 -5.753
274 H SER 40 H SER 40 13.191 -6.095 -8.130
275 HA SER 40 HA SER 40 11.908 -6.027 -10.774
276 HB2 SER 40 1HB SER 40 11.765 -8.186 -8.656
277 HB3 SER 40 2HB SER 40 11.103 -8.278 -10.288
278 HG SER 40 HG SER 40 12.984 -9.047 -10.800
279 H SER 41 H SER 41 9.503 -6.768 -10.615
280 HA SER 41 HA SER 41 8.220 -5.107 -8.547
281 HB2 SER 41 1HB SER 41 7.531 -5.611 -11.430
282 HB3 SER 41 2HB SER 41 6.288 -5.095 -10.290
283 HG SER 41 HG SER 41 8.647 -3.649 -10.239
284 H GLY 42 H GLY 42 7.622 -7.958 -10.608
285 HA2 GLY 42 1HA GLY 42 6.907 -10.065 -9.838
286 HA3 GLY 42 2HA GLY 42 6.477 -9.333 -8.300
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -16.155 -7.935 -2.849
2 HA2 GLY 1 1HA GLY 1 -14.589 -9.184 -4.655
3 HA3 GLY 1 2HA GLY 1 -13.536 -7.899 -4.082
4 H SER 2 H SER 2 -12.421 -10.130 -3.608
5 HA SER 2 HA SER 2 -13.313 -11.429 -1.195
6 HB2 SER 2 1HB SER 2 -11.228 -12.755 -1.430
7 HB3 SER 2 2HB SER 2 -12.188 -12.747 -2.910
8 HG SER 2 HG SER 2 -9.696 -12.152 -2.748
9 H SER 3 H SER 3 -13.324 -9.728 0.319
10 HA SER 3 HA SER 3 -10.857 -9.389 1.715
11 HB2 SER 3 1HB SER 3 -11.902 -7.168 0.010
12 HB3 SER 3 2HB SER 3 -11.177 -6.764 1.566
13 HG SER 3 HG SER 3 -9.901 -8.410 -0.353
14 H GLY 4 H GLY 4 -11.165 -7.875 3.635
15 HA2 GLY 4 1HA GLY 4 -13.984 -7.771 4.477
16 HA3 GLY 4 2HA GLY 4 -12.801 -8.570 5.502
17 H SER 5 H SER 5 -14.068 -6.687 6.761
18 HA SER 5 HA SER 5 -12.061 -4.633 7.145
19 HB2 SER 5 1HB SER 5 -14.915 -3.908 6.437
20 HB3 SER 5 2HB SER 5 -13.685 -2.773 6.993
21 HG SER 5 HG SER 5 -12.898 -2.724 5.050
22 H SER 6 H SER 6 -11.685 -4.953 9.243
23 HA SER 6 HA SER 6 -13.377 -6.044 11.129
24 HB2 SER 6 1HB SER 6 -11.886 -5.068 12.827
25 HB3 SER 6 2HB SER 6 -10.963 -5.753 11.489
26 HG SER 6 HG SER 6 -10.865 -3.289 12.423
27 H GLY 7 H GLY 7 -12.818 -2.596 10.443
28 HA2 GLY 7 1HA GLY 7 -15.462 -2.034 11.604
29 HA3 GLY 7 2HA GLY 7 -14.069 -1.115 12.156
30 H GLN 8 H GLN 8 -14.032 0.842 11.296
31 HA GLN 8 HA GLN 8 -14.935 1.164 8.510
32 HB2 GLN 8 1HB GLN 8 -15.551 3.456 9.075
33 HB3 GLN 8 2HB GLN 8 -16.377 2.316 10.129
34 HG2 GLN 8 1HG GLN 8 -14.678 2.760 11.870
35 HG3 GLN 8 2HG GLN 8 -13.970 3.985 10.817
36 HE21 GLN 8 1HE2 GLN 8 -17.096 3.057 12.212
37 HE22 GLN 8 2HE2 GLN 8 -17.625 4.669 12.536
38 H LYS 9 H LYS 9 -13.471 1.801 7.076
39 HA LYS 9 HA LYS 9 -10.982 3.026 8.073
40 HB2 LYS 9 1HB LYS 9 -11.362 1.255 5.651
41 HB3 LYS 9 2HB LYS 9 -9.847 2.004 6.137
42 HG2 LYS 9 1HG LYS 9 -10.023 0.735 8.293
43 HG3 LYS 9 2HG LYS 9 -11.385 -0.136 7.585
44 HD2 LYS 9 1HD LYS 9 -9.646 -0.502 5.617
45 HD3 LYS 9 2HD LYS 9 -8.487 -0.267 6.928
46 HE2 LYS 9 1HE LYS 9 -9.973 -1.998 8.182
47 HE3 LYS 9 2HE LYS 9 -10.537 -2.416 6.565
48 HZ1 LYS 9 3HZ LYS 9 -7.896 -2.407 6.201
49 HZ2 LYS 9 1HZ LYS 9 -8.779 -3.789 6.617
50 HZ3 LYS 9 2HZ LYS 9 -7.969 -2.911 7.814
51 HA PRO 10 HA PRO 10 -12.895 6.272 5.486
52 HB2 PRO 10 1HB PRO 10 -11.735 8.320 6.840
53 HB3 PRO 10 2HB PRO 10 -13.225 7.534 7.377
54 HG2 PRO 10 1HG PRO 10 -10.414 7.105 8.313
55 HG3 PRO 10 2HG PRO 10 -11.903 7.231 9.267
56 HD2 PRO 10 1HD PRO 10 -10.749 4.854 8.676
57 HD3 PRO 10 2HD PRO 10 -12.505 5.046 8.849
58 H TYR 11 H TYR 11 -9.542 5.998 6.604
59 HA TYR 11 HA TYR 11 -8.480 7.639 4.516
60 HB2 TYR 11 1HB TYR 11 -6.974 5.639 6.206
61 HB3 TYR 11 2HB TYR 11 -6.319 7.043 5.371
62 HD1 TYR 11 HD1 TYR 11 -8.393 5.948 8.220
63 HD2 TYR 11 HD2 TYR 11 -6.404 9.214 6.355
64 HE1 TYR 11 HE1 TYR 11 -8.717 7.297 10.251
65 HE2 TYR 11 HE2 TYR 11 -6.722 10.572 8.381
66 HH TYR 11 HH TYR 11 -7.671 9.259 11.344
67 H VAL 12 H VAL 12 -8.906 6.916 2.496
68 HA VAL 12 HA VAL 12 -8.109 4.156 1.839
69 HB VAL 12 HB VAL 12 -10.036 5.965 0.375
70 HG11 VAL 12 1HG1 VAL 12 -8.524 4.136 -0.835
71 HG12 VAL 12 2HG1 VAL 12 -9.809 3.077 -0.248
72 HG13 VAL 12 3HG1 VAL 12 -10.198 4.439 -1.300
73 HG21 VAL 12 3HG2 VAL 12 -10.724 4.895 2.606
74 HG22 VAL 12 1HG2 VAL 12 -11.784 4.664 1.215
75 HG23 VAL 12 2HG2 VAL 12 -10.701 3.368 1.723
76 H CYS 13 H CYS 13 -6.511 3.820 0.416
77 HA CYS 13 HA CYS 13 -4.874 5.979 -0.425
78 HB2 CYS 13 1HB CYS 13 -4.248 3.498 0.048
79 HB3 CYS 13 2HB CYS 13 -4.718 3.231 -1.627
80 H ASN 14 H ASN 14 -4.574 6.892 -2.428
81 HA ASN 14 HA ASN 14 -6.772 6.495 -4.322
82 HB2 ASN 14 1HB ASN 14 -5.875 8.797 -3.321
83 HB3 ASN 14 2HB ASN 14 -4.768 8.671 -4.685
84 HD21 ASN 14 1HD2 ASN 14 -5.588 10.323 -5.872
85 HD22 ASN 14 2HD2 ASN 14 -7.169 10.313 -6.567
86 H GLU 15 H GLU 15 -3.655 5.462 -3.866
87 HA GLU 15 HA GLU 15 -2.874 5.480 -6.664
88 HB2 GLU 15 1HB GLU 15 -1.559 4.596 -4.115
89 HB3 GLU 15 2HB GLU 15 -0.919 4.081 -5.669
90 HG2 GLU 15 1HG GLU 15 0.151 6.114 -4.666
91 HG3 GLU 15 2HG GLU 15 -0.436 6.295 -6.318
92 H CYS 16 H CYS 16 -3.704 3.098 -4.166
93 HA CYS 16 HA CYS 16 -4.166 1.134 -6.316
94 HB2 CYS 16 1HB CYS 16 -3.683 -0.622 -4.627
95 HB3 CYS 16 2HB CYS 16 -2.302 0.424 -4.940
96 H GLY 17 H GLY 17 -5.290 2.423 -3.232
97 HA2 GLY 17 1HA GLY 17 -7.688 2.795 -2.990
98 HA3 GLY 17 2HA GLY 17 -7.943 1.273 -3.832
99 H LYS 18 H LYS 18 -5.412 1.433 -1.495
100 HA LYS 18 HA LYS 18 -6.729 -0.556 0.122
101 HB2 LYS 18 1HB LYS 18 -4.163 -0.228 -0.475
102 HB3 LYS 18 2HB LYS 18 -4.190 0.750 0.987
103 HG2 LYS 18 1HG LYS 18 -4.801 -1.083 2.327
104 HG3 LYS 18 2HG LYS 18 -5.227 -2.067 0.925
105 HD2 LYS 18 1HD LYS 18 -2.862 -2.078 0.241
106 HD3 LYS 18 2HD LYS 18 -2.455 -1.138 1.679
107 HE2 LYS 18 1HE LYS 18 -3.799 -3.834 1.761
108 HE3 LYS 18 2HE LYS 18 -2.054 -3.608 1.871
109 HZ1 LYS 18 3HZ LYS 18 -2.605 -2.060 3.799
110 HZ2 LYS 18 1HZ LYS 18 -2.766 -3.723 4.067
111 HZ3 LYS 18 2HZ LYS 18 -4.138 -2.774 3.790
112 H ALA 19 H ALA 19 -7.885 -0.218 1.904
113 HA ALA 19 HA ALA 19 -8.080 2.500 2.952
114 HB1 ALA 19 3HB ALA 19 -9.766 0.047 3.423
115 HB2 ALA 19 1HB ALA 19 -10.043 1.609 4.194
116 HB3 ALA 19 2HB ALA 19 -10.175 1.454 2.441
117 H PHE 20 H PHE 20 -7.766 3.027 5.117
118 HA PHE 20 HA PHE 20 -6.588 0.969 6.841
119 HB2 PHE 20 1HB PHE 20 -5.373 3.710 6.448
120 HB3 PHE 20 2HB PHE 20 -4.758 2.427 7.486
121 HD1 PHE 20 HD1 PHE 20 -5.477 3.256 3.941
122 HD2 PHE 20 HD2 PHE 20 -3.238 0.872 6.665
123 HE1 PHE 20 HE1 PHE 20 -4.116 2.407 2.075
124 HE2 PHE 20 HE2 PHE 20 -1.873 0.021 4.804
125 HZ PHE 20 HZ PHE 20 -2.311 0.788 2.505
126 H GLY 21 H GLY 21 -7.633 0.930 8.712
127 HA2 GLY 21 1HA GLY 21 -9.619 2.699 9.492
128 HA3 GLY 21 2HA GLY 21 -8.770 1.617 10.585
129 H LEU 22 H LEU 22 -6.246 3.166 9.616
130 HA LEU 22 HA LEU 22 -6.624 5.479 11.402
131 HB2 LEU 22 1HB LEU 22 -4.525 3.396 11.319
132 HB3 LEU 22 2HB LEU 22 -3.990 5.047 11.624
133 HG LEU 22 HG LEU 22 -6.003 3.522 13.276
134 HD11 LEU 22 1HD1 LEU 22 -3.123 3.576 13.294
135 HD12 LEU 22 2HD1 LEU 22 -4.236 2.595 14.246
136 HD13 LEU 22 3HD1 LEU 22 -3.778 4.202 14.807
137 HD21 LEU 22 3HD2 LEU 22 -4.898 6.306 13.429
138 HD22 LEU 22 1HD2 LEU 22 -5.506 5.476 14.861
139 HD23 LEU 22 2HD2 LEU 22 -6.579 5.774 13.493
140 H LYS 23 H LYS 23 -5.089 7.265 11.018
141 HA LYS 23 HA LYS 23 -4.979 7.891 8.222
142 HB2 LYS 23 1HB LYS 23 -5.481 9.543 10.056
143 HB3 LYS 23 2HB LYS 23 -3.785 9.455 10.513
144 HG2 LYS 23 1HG LYS 23 -3.129 10.306 8.339
145 HG3 LYS 23 2HG LYS 23 -4.817 10.337 7.825
146 HD2 LYS 23 1HD LYS 23 -5.350 12.062 9.347
147 HD3 LYS 23 2HD LYS 23 -3.835 11.856 10.229
148 HE2 LYS 23 1HE LYS 23 -3.947 12.712 7.346
149 HE3 LYS 23 2HE LYS 23 -3.978 13.859 8.684
150 HZ1 LYS 23 3HZ LYS 23 -1.866 12.193 9.220
151 HZ2 LYS 23 1HZ LYS 23 -1.776 13.777 8.632
152 HZ3 LYS 23 2HZ LYS 23 -1.764 12.474 7.555
153 H SER 24 H SER 24 -2.412 8.015 10.696
154 HA SER 24 HA SER 24 -0.231 8.188 9.066
155 HB2 SER 24 1HB SER 24 0.194 8.345 11.372
156 HB3 SER 24 2HB SER 24 -0.607 6.811 11.716
157 HG SER 24 HG SER 24 1.706 6.921 10.105
158 H GLN 25 H GLN 25 -2.068 5.296 9.870
159 HA GLN 25 HA GLN 25 -0.397 3.318 8.920
160 HB2 GLN 25 1HB GLN 25 -3.404 3.531 8.828
161 HB3 GLN 25 2HB GLN 25 -2.535 2.073 8.369
162 HG2 GLN 25 1HG GLN 25 -2.543 3.391 11.073
163 HG3 GLN 25 2HG GLN 25 -3.321 1.872 10.629
164 HE21 GLN 25 1HE2 GLN 25 -1.458 2.200 12.723
165 HE22 GLN 25 2HE2 GLN 25 -0.059 1.260 12.342
166 H LEU 26 H LEU 26 -2.714 5.288 7.094
167 HA LEU 26 HA LEU 26 -2.122 4.040 4.592
168 HB2 LEU 26 1HB LEU 26 -4.265 5.029 4.860
169 HB3 LEU 26 2HB LEU 26 -3.562 6.573 5.338
170 HG LEU 26 HG LEU 26 -2.637 6.733 2.988
171 HD11 LEU 26 1HD1 LEU 26 -3.910 5.393 1.299
172 HD12 LEU 26 2HD1 LEU 26 -4.488 4.387 2.627
173 HD13 LEU 26 3HD1 LEU 26 -2.763 4.469 2.269
174 HD21 LEU 26 3HD2 LEU 26 -5.621 6.608 2.918
175 HD22 LEU 26 1HD2 LEU 26 -4.531 7.816 2.238
176 HD23 LEU 26 2HD2 LEU 26 -4.814 7.764 3.978
177 H ILE 27 H ILE 27 -1.103 7.017 6.200
178 HA ILE 27 HA ILE 27 0.291 8.232 4.139
179 HB ILE 27 HB ILE 27 1.199 8.206 7.016
180 HG12 ILE 27 1HG1 ILE 27 -0.946 9.858 5.669
181 HG13 ILE 27 2HG1 ILE 27 -1.162 8.723 6.998
182 HG21 ILE 27 1HG2 ILE 27 1.625 10.706 6.118
183 HG22 ILE 27 2HG2 ILE 27 2.828 9.420 6.037
184 HG23 ILE 27 3HG2 ILE 27 1.846 9.798 4.622
185 HD11 ILE 27 3HD1 ILE 27 -1.172 10.681 8.145
186 HD12 ILE 27 1HD1 ILE 27 0.556 10.332 8.184
187 HD13 ILE 27 2HD1 ILE 27 -0.086 11.483 7.012
188 H ILE 28 H ILE 28 1.405 5.756 6.418
189 HA ILE 28 HA ILE 28 4.071 5.674 5.439
190 HB ILE 28 HB ILE 28 2.553 3.539 6.943
191 HG12 ILE 28 1HG1 ILE 28 4.541 5.360 8.223
192 HG13 ILE 28 2HG1 ILE 28 2.929 5.987 7.897
193 HG21 ILE 28 1HG2 ILE 28 5.062 3.132 7.678
194 HG22 ILE 28 2HG2 ILE 28 4.387 2.389 6.229
195 HG23 ILE 28 3HG2 ILE 28 5.382 3.838 6.094
196 HD11 ILE 28 3HD1 ILE 28 1.955 4.195 9.218
197 HD12 ILE 28 1HD1 ILE 28 3.562 3.537 9.525
198 HD13 ILE 28 2HD1 ILE 28 3.121 5.122 10.162
199 H HIS 29 H HIS 29 1.097 4.098 4.525
200 HA HIS 29 HA HIS 29 2.304 2.056 2.932
201 HB2 HIS 29 1HB HIS 29 0.113 1.602 3.713
202 HB3 HIS 29 2HB HIS 29 -0.499 3.146 3.129
203 HD1 HIS 29 HD1 HIS 29 0.620 -0.227 1.863
204 HD2 HIS 29 HD2 HIS 29 -1.437 3.133 0.544
205 HE1 HIS 29 HE1 HIS 29 -0.349 -0.865 -0.369
206 H GLU 30 H GLU 30 0.644 5.108 2.146
207 HA GLU 30 HA GLU 30 0.852 5.054 -0.598
208 HB2 GLU 30 1HB GLU 30 1.172 7.473 1.187
209 HB3 GLU 30 2HB GLU 30 0.773 7.508 -0.525
210 HG2 GLU 30 1HG GLU 30 -1.347 6.533 -0.147
211 HG3 GLU 30 2HG GLU 30 -0.936 6.120 1.516
212 H ARG 31 H ARG 31 3.371 5.256 1.689
213 HA ARG 31 HA ARG 31 5.315 6.707 0.295
214 HB2 ARG 31 1HB ARG 31 5.623 4.402 2.225
215 HB3 ARG 31 2HB ARG 31 6.953 5.406 1.665
216 HG2 ARG 31 1HG ARG 31 5.918 7.365 2.672
217 HG3 ARG 31 2HG ARG 31 4.558 6.377 3.209
218 HD2 ARG 31 1HD ARG 31 6.083 6.701 5.047
219 HD3 ARG 31 2HD ARG 31 6.124 5.011 4.544
220 HE ARG 31 HE ARG 31 8.166 6.067 3.157
221 HH11 ARG 31 1HH1 ARG 31 7.273 6.260 6.516
222 HH12 ARG 31 2HH1 ARG 31 8.905 6.423 7.075
223 HH21 ARG 31 1HH2 ARG 31 10.319 6.280 3.881
224 HH22 ARG 31 2HH2 ARG 31 10.637 6.435 5.576
225 H ILE 32 H ILE 32 4.141 3.461 -0.119
226 HA ILE 32 HA ILE 32 6.286 2.364 -1.561
227 HB ILE 32 HB ILE 32 4.776 0.674 -2.320
228 HG12 ILE 32 1HG1 ILE 32 2.489 2.418 -1.389
229 HG13 ILE 32 2HG1 ILE 32 2.992 2.269 -3.069
230 HG21 ILE 32 1HG2 ILE 32 5.274 0.320 -0.069
231 HG22 ILE 32 2HG2 ILE 32 4.263 1.662 0.462
232 HG23 ILE 32 3HG2 ILE 32 3.518 0.181 -0.138
233 HD11 ILE 32 3HD1 ILE 32 1.519 0.376 -1.350
234 HD12 ILE 32 1HD1 ILE 32 1.345 0.728 -3.069
235 HD13 ILE 32 2HD1 ILE 32 2.656 -0.311 -2.510
236 H HIS 33 H HIS 33 3.729 4.536 -2.490
237 HA HIS 33 HA HIS 33 4.321 4.237 -5.326
238 HB2 HIS 33 1HB HIS 33 2.390 6.161 -4.022
239 HB3 HIS 33 2HB HIS 33 2.439 5.683 -5.716
240 HD1 HIS 33 HD1 HIS 33 2.107 2.889 -5.958
241 HD2 HIS 33 HD2 HIS 33 0.477 4.834 -2.668
242 HE1 HIS 33 HE1 HIS 33 0.327 1.346 -5.079
243 H THR 34 H THR 34 4.468 6.742 -2.815
244 HA THR 34 HA THR 34 5.292 8.944 -4.110
245 HB THR 34 HB THR 34 6.646 9.576 -2.192
246 HG1 THR 34 HG1 THR 34 6.896 7.890 -0.511
247 HG21 THR 34 3HG2 THR 34 4.374 7.937 -1.101
248 HG22 THR 34 1HG2 THR 34 4.096 9.393 -2.056
249 HG23 THR 34 2HG2 THR 34 4.981 9.492 -0.533
250 H GLY 35 H GLY 35 7.248 6.062 -3.572
251 HA2 GLY 35 1HA GLY 35 9.328 7.257 -5.300
252 HA3 GLY 35 2HA GLY 35 9.694 6.161 -3.976
253 H GLU 36 H GLU 36 9.362 3.951 -4.226
254 HA GLU 36 HA GLU 36 8.147 2.853 -6.568
255 HB2 GLU 36 1HB GLU 36 10.204 3.552 -7.622
256 HB3 GLU 36 2HB GLU 36 11.159 2.815 -6.343
257 HG2 GLU 36 1HG GLU 36 11.163 1.480 -8.389
258 HG3 GLU 36 2HG GLU 36 10.449 0.612 -7.031
259 H SER 37 H SER 37 7.860 0.621 -6.436
260 HA SER 37 HA SER 37 8.435 -0.500 -3.787
261 HB2 SER 37 1HB SER 37 6.420 -1.292 -5.901
262 HB3 SER 37 2HB SER 37 6.675 -2.182 -4.400
263 HG SER 37 HG SER 37 6.207 0.566 -4.234
264 H GLY 38 H GLY 38 8.837 -2.899 -3.733
265 HA2 GLY 38 1HA GLY 38 10.503 -3.724 -6.029
266 HA3 GLY 38 2HA GLY 38 11.049 -3.928 -4.371
267 HA PRO 39 HA PRO 39 8.189 -7.464 -5.994
268 HB2 PRO 39 1HB PRO 39 9.952 -9.058 -7.306
269 HB3 PRO 39 2HB PRO 39 9.000 -7.808 -8.116
270 HG2 PRO 39 1HG PRO 39 11.844 -7.718 -7.185
271 HG3 PRO 39 2HG PRO 39 11.145 -7.130 -8.705
272 HD2 PRO 39 1HD PRO 39 11.721 -5.485 -6.632
273 HD3 PRO 39 2HD PRO 39 10.366 -5.187 -7.740
274 H SER 40 H SER 40 8.126 -8.026 -3.812
275 HA SER 40 HA SER 40 10.419 -9.395 -2.646
276 HB2 SER 40 1HB SER 40 7.742 -8.644 -1.447
277 HB3 SER 40 2HB SER 40 9.082 -9.371 -0.561
278 HG SER 40 HG SER 40 8.800 -6.947 -0.586
279 H SER 41 H SER 41 6.962 -10.040 -3.210
280 HA SER 41 HA SER 41 7.618 -12.903 -3.383
281 HB2 SER 41 1HB SER 41 5.320 -11.627 -1.893
282 HB3 SER 41 2HB SER 41 5.353 -13.337 -2.322
283 HG SER 41 HG SER 41 6.703 -11.995 -0.351
284 H GLY 42 H GLY 42 5.244 -10.375 -4.144
285 HA2 GLY 42 1HA GLY 42 4.487 -10.024 -6.390
286 HA3 GLY 42 2HA GLY 42 4.768 -11.728 -6.712
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -18.558 -15.669 9.663
2 HA2 GLY 1 1HA GLY 1 -19.755 -13.675 11.375
3 HA3 GLY 1 2HA GLY 1 -18.244 -14.324 11.994
4 H SER 2 H SER 2 -19.448 -11.773 10.443
5 HA SER 2 HA SER 2 -18.212 -11.173 8.158
6 HB2 SER 2 1HB SER 2 -17.895 -8.838 8.993
7 HB3 SER 2 2HB SER 2 -19.492 -9.497 9.346
8 HG SER 2 HG SER 2 -17.319 -9.085 11.097
9 H SER 3 H SER 3 -16.203 -10.554 7.397
10 HA SER 3 HA SER 3 -13.925 -10.459 9.179
11 HB2 SER 3 1HB SER 3 -14.162 -12.631 7.082
12 HB3 SER 3 2HB SER 3 -12.696 -12.255 7.986
13 HG SER 3 HG SER 3 -13.452 -13.364 9.593
14 H GLY 4 H GLY 4 -12.460 -9.052 8.437
15 HA2 GLY 4 1HA GLY 4 -11.077 -8.179 6.672
16 HA3 GLY 4 2HA GLY 4 -12.389 -8.493 5.546
17 H SER 5 H SER 5 -14.388 -7.191 5.871
18 HA SER 5 HA SER 5 -13.636 -4.418 6.284
19 HB2 SER 5 1HB SER 5 -15.730 -3.865 5.219
20 HB3 SER 5 2HB SER 5 -14.967 -5.154 4.289
21 HG SER 5 HG SER 5 -17.329 -5.302 4.930
22 H SER 6 H SER 6 -13.627 -5.858 8.654
23 HA SER 6 HA SER 6 -16.119 -5.417 10.047
24 HB2 SER 6 1HB SER 6 -13.423 -6.488 10.854
25 HB3 SER 6 2HB SER 6 -14.660 -6.129 12.058
26 HG SER 6 HG SER 6 -15.648 -7.568 9.975
27 H GLY 7 H GLY 7 -16.359 -3.147 9.819
28 HA2 GLY 7 1HA GLY 7 -16.127 -1.422 11.691
29 HA3 GLY 7 2HA GLY 7 -14.410 -1.532 11.332
30 H GLN 8 H GLN 8 -13.891 0.369 10.445
31 HA GLN 8 HA GLN 8 -15.052 1.056 7.890
32 HB2 GLN 8 1HB GLN 8 -15.601 3.369 8.535
33 HB3 GLN 8 2HB GLN 8 -16.587 2.193 9.395
34 HG2 GLN 8 1HG GLN 8 -15.066 2.419 11.340
35 HG3 GLN 8 2HG GLN 8 -14.217 3.699 10.475
36 HE21 GLN 8 1HE2 GLN 8 -15.658 3.808 13.000
37 HE22 GLN 8 2HE2 GLN 8 -16.887 5.006 12.803
38 H LYS 9 H LYS 9 -13.602 2.022 6.578
39 HA LYS 9 HA LYS 9 -11.141 3.087 7.788
40 HB2 LYS 9 1HB LYS 9 -11.328 1.289 5.364
41 HB3 LYS 9 2HB LYS 9 -9.859 2.083 5.916
42 HG2 LYS 9 1HG LYS 9 -9.914 0.823 7.981
43 HG3 LYS 9 2HG LYS 9 -11.443 0.077 7.510
44 HD2 LYS 9 1HD LYS 9 -10.328 -0.944 5.571
45 HD3 LYS 9 2HD LYS 9 -8.801 -0.220 6.079
46 HE2 LYS 9 1HE LYS 9 -8.598 -2.317 6.984
47 HE3 LYS 9 2HE LYS 9 -9.330 -1.451 8.334
48 HZ1 LYS 9 3HZ LYS 9 -11.515 -2.266 7.520
49 HZ2 LYS 9 1HZ LYS 9 -10.482 -3.495 8.054
50 HZ3 LYS 9 2HZ LYS 9 -10.698 -3.233 6.397
51 HA PRO 10 HA PRO 10 -12.870 6.311 5.036
52 HB2 PRO 10 1HB PRO 10 -11.908 8.375 6.513
53 HB3 PRO 10 2HB PRO 10 -13.427 7.553 6.887
54 HG2 PRO 10 1HG PRO 10 -10.721 7.182 8.112
55 HG3 PRO 10 2HG PRO 10 -12.305 7.269 8.904
56 HD2 PRO 10 1HD PRO 10 -11.040 4.922 8.431
57 HD3 PRO 10 2HD PRO 10 -12.809 5.073 8.418
58 H TYR 11 H TYR 11 -9.651 5.889 6.394
59 HA TYR 11 HA TYR 11 -8.396 7.647 4.490
60 HB2 TYR 11 1HB TYR 11 -7.005 5.606 6.220
61 HB3 TYR 11 2HB TYR 11 -6.346 7.098 5.558
62 HD1 TYR 11 HD1 TYR 11 -8.735 5.743 8.046
63 HD2 TYR 11 HD2 TYR 11 -6.521 9.135 6.742
64 HE1 TYR 11 HE1 TYR 11 -9.318 6.916 10.127
65 HE2 TYR 11 HE2 TYR 11 -7.097 10.317 8.821
66 HH TYR 11 HH TYR 11 -7.763 9.622 11.210
67 H VAL 12 H VAL 12 -8.945 6.822 2.466
68 HA VAL 12 HA VAL 12 -7.963 4.131 1.817
69 HB VAL 12 HB VAL 12 -9.726 5.929 0.148
70 HG11 VAL 12 1HG1 VAL 12 -8.220 3.759 -0.625
71 HG12 VAL 12 2HG1 VAL 12 -9.813 3.059 -0.328
72 HG13 VAL 12 3HG1 VAL 12 -9.633 4.392 -1.469
73 HG21 VAL 12 3HG2 VAL 12 -11.599 4.660 0.884
74 HG22 VAL 12 1HG2 VAL 12 -10.567 3.519 1.745
75 HG23 VAL 12 2HG2 VAL 12 -10.728 5.175 2.328
76 H CYS 13 H CYS 13 -6.467 3.775 0.217
77 HA CYS 13 HA CYS 13 -4.677 5.937 -0.359
78 HB2 CYS 13 1HB CYS 13 -4.123 3.432 0.018
79 HB3 CYS 13 2HB CYS 13 -4.555 3.238 -1.678
80 H ASN 14 H ASN 14 -4.425 7.082 -2.200
81 HA ASN 14 HA ASN 14 -6.483 6.765 -4.245
82 HB2 ASN 14 1HB ASN 14 -4.578 8.981 -3.528
83 HB3 ASN 14 2HB ASN 14 -5.435 8.982 -5.067
84 HD21 ASN 14 1HD2 ASN 14 -7.669 9.239 -5.089
85 HD22 ASN 14 2HD2 ASN 14 -8.533 9.851 -3.723
86 H GLU 15 H GLU 15 -3.850 5.175 -3.851
87 HA GLU 15 HA GLU 15 -2.839 5.523 -6.597
88 HB2 GLU 15 1HB GLU 15 -1.495 4.686 -4.051
89 HB3 GLU 15 2HB GLU 15 -0.850 4.154 -5.597
90 HG2 GLU 15 1HG GLU 15 -1.219 6.995 -4.682
91 HG3 GLU 15 2HG GLU 15 0.306 6.131 -4.871
92 H CYS 16 H CYS 16 -3.657 3.118 -4.124
93 HA CYS 16 HA CYS 16 -4.031 1.148 -6.285
94 HB2 CYS 16 1HB CYS 16 -3.493 -0.608 -4.643
95 HB3 CYS 16 2HB CYS 16 -2.155 0.517 -4.854
96 H GLY 17 H GLY 17 -5.243 2.452 -3.251
97 HA2 GLY 17 1HA GLY 17 -7.641 2.746 -3.019
98 HA3 GLY 17 2HA GLY 17 -7.853 1.225 -3.874
99 H LYS 18 H LYS 18 -5.405 1.560 -1.427
100 HA LYS 18 HA LYS 18 -6.707 -0.499 0.148
101 HB2 LYS 18 1HB LYS 18 -4.136 -0.173 -0.443
102 HB3 LYS 18 2HB LYS 18 -4.169 0.796 1.024
103 HG2 LYS 18 1HG LYS 18 -4.682 -1.021 2.368
104 HG3 LYS 18 2HG LYS 18 -5.285 -1.978 1.012
105 HD2 LYS 18 1HD LYS 18 -2.970 -2.088 0.126
106 HD3 LYS 18 2HD LYS 18 -2.412 -1.243 1.571
107 HE2 LYS 18 1HE LYS 18 -2.043 -3.531 1.993
108 HE3 LYS 18 2HE LYS 18 -3.492 -3.109 2.906
109 HZ1 LYS 18 3HZ LYS 18 -4.136 -3.985 0.275
110 HZ2 LYS 18 1HZ LYS 18 -4.676 -4.578 1.765
111 HZ3 LYS 18 2HZ LYS 18 -3.233 -5.155 1.097
112 H ALA 19 H ALA 19 -7.768 -0.197 2.008
113 HA ALA 19 HA ALA 19 -8.021 2.539 3.009
114 HB1 ALA 19 3HB ALA 19 -9.668 0.525 4.315
115 HB2 ALA 19 1HB ALA 19 -10.133 2.030 3.519
116 HB3 ALA 19 2HB ALA 19 -9.886 0.567 2.565
117 H PHE 20 H PHE 20 -7.734 3.078 5.191
118 HA PHE 20 HA PHE 20 -6.520 1.077 6.939
119 HB2 PHE 20 1HB PHE 20 -5.211 3.756 6.445
120 HB3 PHE 20 2HB PHE 20 -4.607 2.451 7.460
121 HD1 PHE 20 HD1 PHE 20 -5.341 3.400 3.961
122 HD2 PHE 20 HD2 PHE 20 -3.279 0.740 6.566
123 HE1 PHE 20 HE1 PHE 20 -4.093 2.495 2.043
124 HE2 PHE 20 HE2 PHE 20 -2.027 -0.169 4.653
125 HZ PHE 20 HZ PHE 20 -2.432 0.709 2.388
126 H GLY 21 H GLY 21 -7.968 1.121 8.553
127 HA2 GLY 21 1HA GLY 21 -9.699 3.022 9.369
128 HA3 GLY 21 2HA GLY 21 -8.908 1.939 10.505
129 H LEU 22 H LEU 22 -6.261 3.182 9.727
130 HA LEU 22 HA LEU 22 -6.557 5.635 11.332
131 HB2 LEU 22 1HB LEU 22 -4.581 3.429 11.385
132 HB3 LEU 22 2HB LEU 22 -3.972 5.058 11.672
133 HG LEU 22 HG LEU 22 -6.135 3.695 13.276
134 HD11 LEU 22 1HD1 LEU 22 -3.452 3.161 13.345
135 HD12 LEU 22 2HD1 LEU 22 -4.581 2.917 14.678
136 HD13 LEU 22 3HD1 LEU 22 -3.627 4.398 14.590
137 HD21 LEU 22 3HD2 LEU 22 -4.870 6.407 13.388
138 HD22 LEU 22 1HD2 LEU 22 -5.524 5.653 14.842
139 HD23 LEU 22 2HD2 LEU 22 -6.577 5.967 13.462
140 H LYS 23 H LYS 23 -5.329 7.449 10.775
141 HA LYS 23 HA LYS 23 -4.946 7.873 8.014
142 HB2 LYS 23 1HB LYS 23 -5.444 9.612 9.803
143 HB3 LYS 23 2HB LYS 23 -3.738 9.538 10.220
144 HG2 LYS 23 1HG LYS 23 -3.073 10.479 8.203
145 HG3 LYS 23 2HG LYS 23 -4.604 10.097 7.411
146 HD2 LYS 23 1HD LYS 23 -4.315 12.513 7.959
147 HD3 LYS 23 2HD LYS 23 -5.751 11.779 8.677
148 HE2 LYS 23 1HE LYS 23 -4.561 11.530 10.799
149 HE3 LYS 23 2HE LYS 23 -3.121 12.248 10.080
150 HZ1 LYS 23 3HZ LYS 23 -5.070 14.072 9.573
151 HZ2 LYS 23 1HZ LYS 23 -3.930 14.169 10.820
152 HZ3 LYS 23 2HZ LYS 23 -5.464 13.524 11.125
153 H SER 24 H SER 24 -2.485 7.954 10.600
154 HA SER 24 HA SER 24 -0.218 8.056 9.099
155 HB2 SER 24 1HB SER 24 -0.852 6.796 11.729
156 HB3 SER 24 2HB SER 24 0.719 6.456 11.003
157 HG SER 24 HG SER 24 0.727 8.313 12.378
158 H GLN 25 H GLN 25 -2.069 5.142 9.900
159 HA GLN 25 HA GLN 25 -0.419 3.197 8.863
160 HB2 GLN 25 1HB GLN 25 -3.435 3.354 8.808
161 HB3 GLN 25 2HB GLN 25 -2.521 1.904 8.414
162 HG2 GLN 25 1HG GLN 25 -2.617 3.328 11.061
163 HG3 GLN 25 2HG GLN 25 -3.292 1.747 10.670
164 HE21 GLN 25 1HE2 GLN 25 -1.425 2.382 12.750
165 HE22 GLN 25 2HE2 GLN 25 0.011 1.476 12.435
166 H LEU 26 H LEU 26 -2.570 5.391 7.160
167 HA LEU 26 HA LEU 26 -2.154 4.106 4.609
168 HB2 LEU 26 1HB LEU 26 -4.265 5.101 4.874
169 HB3 LEU 26 2HB LEU 26 -3.572 6.597 5.498
170 HG LEU 26 HG LEU 26 -2.613 6.958 3.179
171 HD11 LEU 26 1HD1 LEU 26 -3.023 5.552 1.491
172 HD12 LEU 26 2HD1 LEU 26 -4.698 5.300 1.981
173 HD13 LEU 26 3HD1 LEU 26 -3.406 4.378 2.750
174 HD21 LEU 26 3HD2 LEU 26 -4.481 8.135 2.528
175 HD22 LEU 26 1HD2 LEU 26 -4.800 7.904 4.247
176 HD23 LEU 26 2HD2 LEU 26 -5.595 6.873 3.056
177 H ILE 27 H ILE 27 -1.062 7.050 6.238
178 HA ILE 27 HA ILE 27 0.318 8.251 4.152
179 HB ILE 27 HB ILE 27 1.329 8.253 6.988
180 HG12 ILE 27 1HG1 ILE 27 -1.045 9.690 5.803
181 HG13 ILE 27 2HG1 ILE 27 -1.007 8.655 7.226
182 HG21 ILE 27 1HG2 ILE 27 2.017 9.648 4.607
183 HG22 ILE 27 2HG2 ILE 27 1.338 10.801 5.755
184 HG23 ILE 27 3HG2 ILE 27 2.716 9.803 6.218
185 HD11 ILE 27 3HD1 ILE 27 0.655 10.480 8.109
186 HD12 ILE 27 1HD1 ILE 27 -0.162 11.484 6.911
187 HD13 ILE 27 2HD1 ILE 27 -1.090 10.714 8.198
188 H ILE 28 H ILE 28 1.395 5.745 6.407
189 HA ILE 28 HA ILE 28 4.069 5.648 5.436
190 HB ILE 28 HB ILE 28 2.530 3.522 6.931
191 HG12 ILE 28 1HG1 ILE 28 4.529 5.327 8.220
192 HG13 ILE 28 2HG1 ILE 28 2.918 5.961 7.898
193 HG21 ILE 28 1HG2 ILE 28 4.821 2.796 7.629
194 HG22 ILE 28 2HG2 ILE 28 4.461 2.554 5.921
195 HG23 ILE 28 3HG2 ILE 28 5.474 3.907 6.425
196 HD11 ILE 28 3HD1 ILE 28 1.910 4.317 9.278
197 HD12 ILE 28 1HD1 ILE 28 3.425 3.425 9.427
198 HD13 ILE 28 2HD1 ILE 28 3.257 5.011 10.181
199 H HIS 29 H HIS 29 1.084 4.048 4.561
200 HA HIS 29 HA HIS 29 2.280 2.029 2.940
201 HB2 HIS 29 1HB HIS 29 0.083 1.610 3.780
202 HB3 HIS 29 2HB HIS 29 -0.531 3.118 3.108
203 HD1 HIS 29 HD1 HIS 29 0.575 -0.328 2.060
204 HD2 HIS 29 HD2 HIS 29 -1.393 2.978 0.492
205 HE1 HIS 29 HE1 HIS 29 -0.354 -1.085 -0.151
206 H GLU 30 H GLU 30 0.570 5.058 2.163
207 HA GLU 30 HA GLU 30 0.764 5.016 -0.576
208 HB2 GLU 30 1HB GLU 30 1.069 7.426 1.223
209 HB3 GLU 30 2HB GLU 30 0.686 7.478 -0.492
210 HG2 GLU 30 1HG GLU 30 -1.430 6.474 -0.141
211 HG3 GLU 30 2HG GLU 30 -1.034 6.071 1.528
212 H ARG 31 H ARG 31 3.301 5.252 1.693
213 HA ARG 31 HA ARG 31 5.221 6.713 0.283
214 HB2 ARG 31 1HB ARG 31 5.548 4.416 2.217
215 HB3 ARG 31 2HB ARG 31 6.881 5.400 1.629
216 HG2 ARG 31 1HG ARG 31 5.864 7.383 2.625
217 HG3 ARG 31 2HG ARG 31 4.521 6.398 3.210
218 HD2 ARG 31 1HD ARG 31 5.991 6.650 5.040
219 HD3 ARG 31 2HD ARG 31 6.240 5.012 4.437
220 HE ARG 31 HE ARG 31 8.050 7.009 3.384
221 HH11 ARG 31 1HH1 ARG 31 7.471 4.594 5.823
222 HH12 ARG 31 2HH1 ARG 31 9.149 4.375 6.191
223 HH21 ARG 31 1HH2 ARG 31 10.264 6.730 3.860
224 HH22 ARG 31 2HH2 ARG 31 10.737 5.592 5.074
225 H ILE 32 H ILE 32 4.136 3.411 -0.061
226 HA ILE 32 HA ILE 32 6.258 2.358 -1.546
227 HB ILE 32 HB ILE 32 4.769 0.641 -2.278
228 HG12 ILE 32 1HG1 ILE 32 2.465 2.372 -1.360
229 HG13 ILE 32 2HG1 ILE 32 2.957 2.188 -3.040
230 HG21 ILE 32 1HG2 ILE 32 5.144 0.104 -0.108
231 HG22 ILE 32 2HG2 ILE 32 4.513 1.636 0.495
232 HG23 ILE 32 3HG2 ILE 32 3.402 0.361 -0.003
233 HD11 ILE 32 3HD1 ILE 32 2.652 -0.380 -2.428
234 HD12 ILE 32 1HD1 ILE 32 1.525 0.315 -1.263
235 HD13 ILE 32 2HD1 ILE 32 1.321 0.633 -2.986
236 H HIS 33 H HIS 33 3.736 4.561 -2.432
237 HA HIS 33 HA HIS 33 4.296 4.246 -5.282
238 HB2 HIS 33 1HB HIS 33 2.312 6.117 -3.981
239 HB3 HIS 33 2HB HIS 33 2.372 5.630 -5.673
240 HD1 HIS 33 HD1 HIS 33 2.031 2.880 -5.968
241 HD2 HIS 33 HD2 HIS 33 0.524 4.692 -2.547
242 HE1 HIS 33 HE1 HIS 33 0.318 1.279 -5.059
243 H THR 34 H THR 34 4.377 6.741 -2.760
244 HA THR 34 HA THR 34 5.139 8.971 -4.051
245 HB THR 34 HB THR 34 6.448 9.648 -2.127
246 HG1 THR 34 HG1 THR 34 6.358 6.892 -1.397
247 HG21 THR 34 3HG2 THR 34 4.789 9.495 -0.477
248 HG22 THR 34 1HG2 THR 34 4.271 7.899 -1.018
249 HG23 THR 34 2HG2 THR 34 3.904 9.322 -1.992
250 H GLY 35 H GLY 35 7.290 6.246 -3.312
251 HA2 GLY 35 1HA GLY 35 9.013 7.069 -5.519
252 HA3 GLY 35 2HA GLY 35 9.753 7.008 -3.927
253 H GLU 36 H GLU 36 10.389 5.081 -3.100
254 HA GLU 36 HA GLU 36 11.086 2.968 -4.615
255 HB2 GLU 36 1HB GLU 36 10.087 2.827 -1.765
256 HB3 GLU 36 2HB GLU 36 11.004 1.561 -2.570
257 HG2 GLU 36 1HG GLU 36 12.702 3.543 -2.972
258 HG3 GLU 36 2HG GLU 36 11.896 4.197 -1.547
259 H SER 37 H SER 37 9.831 2.035 -6.113
260 HA SER 37 HA SER 37 7.044 1.484 -5.645
261 HB2 SER 37 1HB SER 37 8.903 0.905 -7.953
262 HB3 SER 37 2HB SER 37 7.217 0.387 -7.935
263 HG SER 37 HG SER 37 7.729 3.056 -7.341
264 H GLY 38 H GLY 38 6.322 -0.831 -6.481
265 HA2 GLY 38 1HA GLY 38 6.949 -2.664 -4.491
266 HA3 GLY 38 2HA GLY 38 6.203 -3.078 -6.027
267 HA PRO 39 HA PRO 39 10.663 -4.715 -5.580
268 HB2 PRO 39 1HB PRO 39 10.097 -7.302 -4.984
269 HB3 PRO 39 2HB PRO 39 10.345 -6.063 -3.747
270 HG2 PRO 39 1HG PRO 39 7.784 -7.165 -4.838
271 HG3 PRO 39 2HG PRO 39 8.221 -6.805 -3.158
272 HD2 PRO 39 1HD PRO 39 6.694 -5.143 -4.653
273 HD3 PRO 39 2HD PRO 39 7.802 -4.551 -3.399
274 H SER 40 H SER 40 7.700 -6.111 -6.901
275 HA SER 40 HA SER 40 9.189 -6.782 -9.347
276 HB2 SER 40 1HB SER 40 7.009 -8.509 -8.155
277 HB3 SER 40 2HB SER 40 7.970 -8.859 -9.591
278 HG SER 40 HG SER 40 9.362 -9.735 -8.303
279 H SER 41 H SER 41 5.847 -6.710 -8.095
280 HA SER 41 HA SER 41 5.118 -4.909 -10.285
281 HB2 SER 41 1HB SER 41 4.016 -7.644 -9.794
282 HB3 SER 41 2HB SER 41 2.926 -6.388 -10.382
283 HG SER 41 HG SER 41 3.898 -7.533 -12.101
284 H GLY 42 H GLY 42 3.847 -3.289 -9.633
285 HA2 GLY 42 1HA GLY 42 1.969 -3.622 -7.459
286 HA3 GLY 42 2HA GLY 42 3.335 -2.586 -7.074
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -5.545 -10.549 -4.560
2 HA2 GLY 1 1HA GLY 1 -6.867 -8.663 -4.593
3 HA3 GLY 1 2HA GLY 1 -8.232 -9.681 -4.158
4 H SER 2 H SER 2 -8.704 -7.631 -2.920
5 HA SER 2 HA SER 2 -7.496 -7.844 -0.243
6 HB2 SER 2 1HB SER 2 -8.235 -5.319 -1.736
7 HB3 SER 2 2HB SER 2 -7.827 -5.366 -0.021
8 HG SER 2 HG SER 2 -6.132 -4.997 -1.846
9 H SER 3 H SER 3 -10.309 -6.808 -2.131
10 HA SER 3 HA SER 3 -12.164 -6.100 -0.354
11 HB2 SER 3 1HB SER 3 -12.660 -6.454 -2.737
12 HB3 SER 3 2HB SER 3 -12.623 -8.200 -2.488
13 HG SER 3 HG SER 3 -14.302 -7.489 -0.743
14 H GLY 4 H GLY 4 -13.160 -6.864 1.410
15 HA2 GLY 4 1HA GLY 4 -14.246 -8.940 2.353
16 HA3 GLY 4 2HA GLY 4 -12.676 -9.692 2.114
17 H SER 5 H SER 5 -11.091 -9.416 3.613
18 HA SER 5 HA SER 5 -11.553 -9.053 6.219
19 HB2 SER 5 1HB SER 5 -9.202 -8.430 6.528
20 HB3 SER 5 2HB SER 5 -9.352 -9.689 5.302
21 HG SER 5 HG SER 5 -9.354 -7.843 3.766
22 H SER 6 H SER 6 -10.729 -6.398 4.005
23 HA SER 6 HA SER 6 -10.665 -4.291 5.773
24 HB2 SER 6 1HB SER 6 -11.420 -4.536 2.892
25 HB3 SER 6 2HB SER 6 -11.728 -3.006 3.714
26 HG SER 6 HG SER 6 -9.641 -3.121 2.719
27 H GLY 7 H GLY 7 -12.137 -2.972 6.760
28 HA2 GLY 7 1HA GLY 7 -14.982 -3.708 6.448
29 HA3 GLY 7 2HA GLY 7 -14.262 -3.441 8.029
30 H GLN 8 H GLN 8 -13.909 -1.364 8.756
31 HA GLN 8 HA GLN 8 -15.057 0.762 7.070
32 HB2 GLN 8 1HB GLN 8 -15.644 1.907 9.193
33 HB3 GLN 8 2HB GLN 8 -16.454 0.358 8.996
34 HG2 GLN 8 1HG GLN 8 -14.523 -0.590 10.404
35 HG3 GLN 8 2HG GLN 8 -14.218 1.090 10.843
36 HE21 GLN 8 1HE2 GLN 8 -15.952 2.272 11.858
37 HE22 GLN 8 2HE2 GLN 8 -17.106 1.429 12.829
38 H LYS 9 H LYS 9 -13.446 1.909 6.218
39 HA LYS 9 HA LYS 9 -11.492 3.108 8.013
40 HB2 LYS 9 1HB LYS 9 -10.650 1.617 5.521
41 HB3 LYS 9 2HB LYS 9 -9.591 2.510 6.605
42 HG2 LYS 9 1HG LYS 9 -9.951 0.941 8.366
43 HG3 LYS 9 2HG LYS 9 -11.218 0.124 7.449
44 HD2 LYS 9 1HD LYS 9 -9.655 -0.711 5.868
45 HD3 LYS 9 2HD LYS 9 -8.371 0.330 6.488
46 HE2 LYS 9 1HE LYS 9 -7.857 -1.741 7.404
47 HE3 LYS 9 2HE LYS 9 -8.727 -0.935 8.708
48 HZ1 LYS 9 3HZ LYS 9 -10.729 -2.121 8.053
49 HZ2 LYS 9 1HZ LYS 9 -9.483 -3.207 8.418
50 HZ3 LYS 9 2HZ LYS 9 -9.891 -2.897 6.806
51 HA PRO 10 HA PRO 10 -12.834 6.429 5.328
52 HB2 PRO 10 1HB PRO 10 -11.595 8.396 6.731
53 HB3 PRO 10 2HB PRO 10 -13.124 7.669 7.241
54 HG2 PRO 10 1HG PRO 10 -10.344 7.095 8.191
55 HG3 PRO 10 2HG PRO 10 -11.835 7.271 9.135
56 HD2 PRO 10 1HD PRO 10 -10.784 4.855 8.509
57 HD3 PRO 10 2HD PRO 10 -12.532 5.124 8.671
58 H TYR 11 H TYR 11 -9.502 6.068 6.507
59 HA TYR 11 HA TYR 11 -8.366 7.655 4.420
60 HB2 TYR 11 1HB TYR 11 -6.930 5.629 6.139
61 HB3 TYR 11 2HB TYR 11 -6.238 7.024 5.319
62 HD1 TYR 11 HD1 TYR 11 -8.383 5.959 8.128
63 HD2 TYR 11 HD2 TYR 11 -6.296 9.191 6.311
64 HE1 TYR 11 HE1 TYR 11 -8.718 7.308 10.157
65 HE2 TYR 11 HE2 TYR 11 -6.624 10.549 8.336
66 HH TYR 11 HH TYR 11 -7.584 9.272 11.270
67 H VAL 12 H VAL 12 -8.894 6.883 2.420
68 HA VAL 12 HA VAL 12 -8.102 4.118 1.789
69 HB VAL 12 HB VAL 12 -9.994 5.937 0.292
70 HG11 VAL 12 1HG1 VAL 12 -10.323 4.249 -1.270
71 HG12 VAL 12 2HG1 VAL 12 -8.580 4.203 -1.000
72 HG13 VAL 12 3HG1 VAL 12 -9.624 3.011 -0.226
73 HG21 VAL 12 3HG2 VAL 12 -11.697 5.046 1.438
74 HG22 VAL 12 1HG2 VAL 12 -11.019 3.420 1.350
75 HG23 VAL 12 2HG2 VAL 12 -10.477 4.536 2.604
76 H CYS 13 H CYS 13 -6.508 3.742 0.371
77 HA CYS 13 HA CYS 13 -4.848 5.876 -0.501
78 HB2 CYS 13 1HB CYS 13 -4.254 3.390 0.030
79 HB3 CYS 13 2HB CYS 13 -4.687 3.111 -1.654
80 H ASN 14 H ASN 14 -4.739 6.922 -2.404
81 HA ASN 14 HA ASN 14 -6.849 6.400 -4.345
82 HB2 ASN 14 1HB ASN 14 -4.866 8.675 -4.117
83 HB3 ASN 14 2HB ASN 14 -6.134 8.567 -5.335
84 HD21 ASN 14 1HD2 ASN 14 -7.147 10.430 -4.655
85 HD22 ASN 14 2HD2 ASN 14 -8.026 10.524 -3.170
86 H GLU 15 H GLU 15 -3.814 5.292 -3.873
87 HA GLU 15 HA GLU 15 -2.980 5.372 -6.668
88 HB2 GLU 15 1HB GLU 15 -1.662 4.510 -4.111
89 HB3 GLU 15 2HB GLU 15 -1.006 4.013 -5.665
90 HG2 GLU 15 1HG GLU 15 -1.336 6.813 -4.626
91 HG3 GLU 15 2HG GLU 15 0.167 5.954 -4.961
92 H CYS 16 H CYS 16 -3.746 2.976 -4.158
93 HA CYS 16 HA CYS 16 -4.183 1.001 -6.302
94 HB2 CYS 16 1HB CYS 16 -3.664 -0.742 -4.622
95 HB3 CYS 16 2HB CYS 16 -2.307 0.345 -4.903
96 H GLY 17 H GLY 17 -5.343 2.294 -3.235
97 HA2 GLY 17 1HA GLY 17 -7.749 2.621 -3.006
98 HA3 GLY 17 2HA GLY 17 -7.971 1.086 -3.833
99 H LYS 18 H LYS 18 -5.471 1.379 -1.456
100 HA LYS 18 HA LYS 18 -6.775 -0.620 0.179
101 HB2 LYS 18 1HB LYS 18 -4.211 -0.316 -0.447
102 HB3 LYS 18 2HB LYS 18 -4.219 0.677 1.005
103 HG2 LYS 18 1HG LYS 18 -4.795 -1.130 2.376
104 HG3 LYS 18 2HG LYS 18 -5.303 -2.119 1.005
105 HD2 LYS 18 1HD LYS 18 -2.978 -2.233 0.234
106 HD3 LYS 18 2HD LYS 18 -2.476 -1.249 1.611
107 HE2 LYS 18 1HE LYS 18 -2.046 -3.332 2.444
108 HE3 LYS 18 2HE LYS 18 -3.719 -3.141 2.968
109 HZ1 LYS 18 3HZ LYS 18 -4.457 -4.430 1.105
110 HZ2 LYS 18 1HZ LYS 18 -3.264 -5.308 1.924
111 HZ3 LYS 18 2HZ LYS 18 -2.890 -4.521 0.474
112 H ALA 19 H ALA 19 -7.917 -0.242 1.961
113 HA ALA 19 HA ALA 19 -8.082 2.494 2.967
114 HB1 ALA 19 3HB ALA 19 -10.190 2.027 3.620
115 HB2 ALA 19 1HB ALA 19 -10.033 0.718 2.448
116 HB3 ALA 19 2HB ALA 19 -9.779 0.401 4.165
117 H PHE 20 H PHE 20 -7.668 3.079 5.081
118 HA PHE 20 HA PHE 20 -6.530 1.036 6.854
119 HB2 PHE 20 1HB PHE 20 -5.250 3.735 6.384
120 HB3 PHE 20 2HB PHE 20 -4.645 2.446 7.419
121 HD1 PHE 20 HD1 PHE 20 -5.395 3.298 3.890
122 HD2 PHE 20 HD2 PHE 20 -3.222 0.806 6.570
123 HE1 PHE 20 HE1 PHE 20 -4.104 2.397 1.999
124 HE2 PHE 20 HE2 PHE 20 -1.927 -0.099 4.684
125 HZ PHE 20 HZ PHE 20 -2.367 0.697 2.395
126 H GLY 21 H GLY 21 -7.921 1.037 8.507
127 HA2 GLY 21 1HA GLY 21 -9.694 2.932 9.319
128 HA3 GLY 21 2HA GLY 21 -8.930 1.808 10.434
129 H LEU 22 H LEU 22 -6.270 3.095 9.661
130 HA LEU 22 HA LEU 22 -6.551 5.444 11.417
131 HB2 LEU 22 1HB LEU 22 -4.529 3.285 11.241
132 HB3 LEU 22 2HB LEU 22 -3.943 4.905 11.615
133 HG LEU 22 HG LEU 22 -5.983 3.350 13.206
134 HD11 LEU 22 1HD1 LEU 22 -4.340 2.774 14.674
135 HD12 LEU 22 2HD1 LEU 22 -3.338 4.170 14.277
136 HD13 LEU 22 3HD1 LEU 22 -3.398 2.787 13.183
137 HD21 LEU 22 3HD2 LEU 22 -6.566 5.565 13.554
138 HD22 LEU 22 1HD2 LEU 22 -4.901 6.132 13.420
139 HD23 LEU 22 2HD2 LEU 22 -5.421 5.259 14.861
140 H LYS 23 H LYS 23 -5.132 7.246 11.016
141 HA LYS 23 HA LYS 23 -4.945 7.885 8.241
142 HB2 LYS 23 1HB LYS 23 -5.447 9.534 10.059
143 HB3 LYS 23 2HB LYS 23 -3.774 9.395 10.584
144 HG2 LYS 23 1HG LYS 23 -3.014 10.244 8.432
145 HG3 LYS 23 2HG LYS 23 -4.687 10.356 7.879
146 HD2 LYS 23 1HD LYS 23 -5.179 12.007 9.574
147 HD3 LYS 23 2HD LYS 23 -3.562 11.829 10.261
148 HE2 LYS 23 1HE LYS 23 -2.755 12.485 7.886
149 HE3 LYS 23 2HE LYS 23 -4.396 13.094 7.678
150 HZ1 LYS 23 3HZ LYS 23 -2.860 13.888 10.053
151 HZ2 LYS 23 1HZ LYS 23 -4.090 14.721 9.243
152 HZ3 LYS 23 2HZ LYS 23 -2.538 14.644 8.574
153 H SER 24 H SER 24 -2.409 7.863 10.754
154 HA SER 24 HA SER 24 -0.201 8.070 9.158
155 HB2 SER 24 1HB SER 24 0.227 8.123 11.458
156 HB3 SER 24 2HB SER 24 -0.655 6.625 11.755
157 HG SER 24 HG SER 24 1.837 6.883 10.418
158 H GLN 25 H GLN 25 -2.061 5.158 9.871
159 HA GLN 25 HA GLN 25 -0.417 3.208 8.830
160 HB2 GLN 25 1HB GLN 25 -3.420 3.462 8.805
161 HB3 GLN 25 2HB GLN 25 -2.594 2.025 8.217
162 HG2 GLN 25 1HG GLN 25 -2.538 3.142 11.008
163 HG3 GLN 25 2HG GLN 25 -3.296 1.645 10.467
164 HE21 GLN 25 1HE2 GLN 25 -0.913 2.594 12.276
165 HE22 GLN 25 2HE2 GLN 25 0.306 1.425 11.912
166 H LEU 26 H LEU 26 -2.660 5.332 7.102
167 HA LEU 26 HA LEU 26 -2.131 4.151 4.547
168 HB2 LEU 26 1HB LEU 26 -4.244 5.176 4.840
169 HB3 LEU 26 2HB LEU 26 -3.516 6.673 5.418
170 HG LEU 26 HG LEU 26 -2.548 6.912 3.068
171 HD11 LEU 26 1HD1 LEU 26 -4.671 5.494 1.792
172 HD12 LEU 26 2HD1 LEU 26 -3.741 4.376 2.789
173 HD13 LEU 26 3HD1 LEU 26 -2.929 5.340 1.556
174 HD21 LEU 26 3HD2 LEU 26 -5.531 7.006 3.014
175 HD22 LEU 26 1HD2 LEU 26 -4.356 8.181 2.422
176 HD23 LEU 26 2HD2 LEU 26 -4.648 8.022 4.155
177 H ILE 27 H ILE 27 -1.110 7.120 6.197
178 HA ILE 27 HA ILE 27 0.332 8.339 4.194
179 HB ILE 27 HB ILE 27 1.250 8.216 7.065
180 HG12 ILE 27 1HG1 ILE 27 -0.914 9.886 5.777
181 HG13 ILE 27 2HG1 ILE 27 -1.084 8.770 7.128
182 HG21 ILE 27 1HG2 ILE 27 2.770 9.706 6.443
183 HG22 ILE 27 2HG2 ILE 27 2.213 9.570 4.776
184 HG23 ILE 27 3HG2 ILE 27 1.501 10.775 5.848
185 HD11 ILE 27 3HD1 ILE 27 0.100 11.505 7.071
186 HD12 ILE 27 1HD1 ILE 27 -1.104 10.824 8.163
187 HD13 ILE 27 2HD1 ILE 27 0.589 10.351 8.312
188 H ILE 28 H ILE 28 1.400 5.775 6.395
189 HA ILE 28 HA ILE 28 4.065 5.676 5.411
190 HB ILE 28 HB ILE 28 2.515 3.522 6.853
191 HG12 ILE 28 1HG1 ILE 28 4.520 5.290 8.185
192 HG13 ILE 28 2HG1 ILE 28 2.910 5.933 7.883
193 HG21 ILE 28 1HG2 ILE 28 5.432 3.888 6.243
194 HG22 ILE 28 2HG2 ILE 28 4.873 2.865 7.564
195 HG23 ILE 28 3HG2 ILE 28 4.402 2.498 5.905
196 HD11 ILE 28 3HD1 ILE 28 3.279 3.305 9.260
197 HD12 ILE 28 1HD1 ILE 28 3.398 4.826 10.144
198 HD13 ILE 28 2HD1 ILE 28 1.903 4.406 9.308
199 H HIS 29 H HIS 29 1.074 4.061 4.544
200 HA HIS 29 HA HIS 29 2.232 2.079 2.875
201 HB2 HIS 29 1HB HIS 29 0.001 1.744 3.707
202 HB3 HIS 29 2HB HIS 29 -0.553 3.248 2.975
203 HD1 HIS 29 HD1 HIS 29 0.660 -0.195 1.966
204 HD2 HIS 29 HD2 HIS 29 -1.508 2.997 0.429
205 HE1 HIS 29 HE1 HIS 29 -0.264 -1.005 -0.228
206 H GLU 30 H GLU 30 0.607 5.160 2.120
207 HA GLU 30 HA GLU 30 0.823 5.169 -0.610
208 HB2 GLU 30 1HB GLU 30 1.250 7.541 1.216
209 HB3 GLU 30 2HB GLU 30 0.834 7.622 -0.490
210 HG2 GLU 30 1HG GLU 30 -1.311 6.664 -0.090
211 HG3 GLU 30 2HG GLU 30 -0.895 6.304 1.585
212 H ARG 31 H ARG 31 3.359 5.419 1.709
213 HA ARG 31 HA ARG 31 5.336 6.756 0.290
214 HB2 ARG 31 1HB ARG 31 5.653 4.419 2.182
215 HB3 ARG 31 2HB ARG 31 6.947 5.495 1.674
216 HG2 ARG 31 1HG ARG 31 5.732 7.383 2.705
217 HG3 ARG 31 2HG ARG 31 4.518 6.242 3.287
218 HD2 ARG 31 1HD ARG 31 6.021 6.626 5.083
219 HD3 ARG 31 2HD ARG 31 6.375 5.018 4.453
220 HE ARG 31 HE ARG 31 8.442 5.764 3.776
221 HH11 ARG 31 1HH1 ARG 31 6.456 8.473 4.688
222 HH12 ARG 31 2HH1 ARG 31 7.760 9.612 4.641
223 HH21 ARG 31 1HH2 ARG 31 10.168 7.254 3.710
224 HH22 ARG 31 2HH2 ARG 31 9.871 8.918 4.084
225 H ILE 32 H ILE 32 4.220 3.439 0.031
226 HA ILE 32 HA ILE 32 6.297 2.351 -1.477
227 HB ILE 32 HB ILE 32 4.818 0.617 -2.114
228 HG12 ILE 32 1HG1 ILE 32 2.488 2.401 -1.385
229 HG13 ILE 32 2HG1 ILE 32 3.054 2.140 -3.031
230 HG21 ILE 32 1HG2 ILE 32 3.297 0.987 0.281
231 HG22 ILE 32 2HG2 ILE 32 4.648 -0.103 -0.022
232 HG23 ILE 32 3HG2 ILE 32 4.951 1.541 0.538
233 HD11 ILE 32 3HD1 ILE 32 1.062 0.758 -1.990
234 HD12 ILE 32 1HD1 ILE 32 2.194 0.044 -3.139
235 HD13 ILE 32 2HD1 ILE 32 2.390 -0.247 -1.410
236 H HIS 33 H HIS 33 3.715 4.499 -2.391
237 HA HIS 33 HA HIS 33 4.259 4.153 -5.234
238 HB2 HIS 33 1HB HIS 33 2.312 6.050 -3.912
239 HB3 HIS 33 2HB HIS 33 2.356 5.589 -5.611
240 HD1 HIS 33 HD1 HIS 33 2.016 2.828 -5.923
241 HD2 HIS 33 HD2 HIS 33 0.492 4.640 -2.509
242 HE1 HIS 33 HE1 HIS 33 0.286 1.236 -5.033
243 H THR 34 H THR 34 4.355 6.734 -2.792
244 HA THR 34 HA THR 34 5.164 8.897 -4.174
245 HB THR 34 HB THR 34 6.377 9.682 -2.254
246 HG1 THR 34 HG1 THR 34 6.562 6.923 -1.636
247 HG21 THR 34 3HG2 THR 34 4.690 9.593 -0.669
248 HG22 THR 34 1HG2 THR 34 4.324 7.901 -1.001
249 HG23 THR 34 2HG2 THR 34 3.826 9.151 -2.141
250 H GLY 35 H GLY 35 7.246 6.169 -3.284
251 HA2 GLY 35 1HA GLY 35 9.660 7.253 -4.264
252 HA3 GLY 35 2HA GLY 35 9.331 5.545 -4.015
253 H GLU 36 H GLU 36 10.464 4.980 -5.899
254 HA GLU 36 HA GLU 36 10.150 6.042 -8.432
255 HB2 GLU 36 1HB GLU 36 10.724 3.641 -9.197
256 HB3 GLU 36 2HB GLU 36 11.894 4.513 -8.217
257 HG2 GLU 36 1HG GLU 36 11.279 3.295 -6.264
258 HG3 GLU 36 2HG GLU 36 9.910 2.556 -7.091
259 H SER 37 H SER 37 8.347 6.340 -9.548
260 HA SER 37 HA SER 37 6.651 4.222 -10.319
261 HB2 SER 37 1HB SER 37 4.622 4.737 -9.145
262 HB3 SER 37 2HB SER 37 5.891 4.548 -7.935
263 HG SER 37 HG SER 37 4.995 7.027 -8.991
264 H GLY 38 H GLY 38 4.557 5.172 -11.369
265 HA2 GLY 38 1HA GLY 38 5.386 7.000 -13.353
266 HA3 GLY 38 2HA GLY 38 3.736 6.460 -13.083
267 HA PRO 39 HA PRO 39 4.554 10.972 -11.697
268 HB2 PRO 39 1HB PRO 39 3.682 12.293 -13.903
269 HB3 PRO 39 2HB PRO 39 5.372 11.834 -13.663
270 HG2 PRO 39 1HG PRO 39 3.254 10.482 -15.290
271 HG3 PRO 39 2HG PRO 39 4.952 10.789 -15.698
272 HD2 PRO 39 1HD PRO 39 4.075 8.378 -14.833
273 HD3 PRO 39 2HD PRO 39 5.703 8.986 -14.473
274 H SER 40 H SER 40 1.986 9.967 -13.967
275 HA SER 40 HA SER 40 -0.258 10.534 -13.963
276 HB2 SER 40 1HB SER 40 0.373 8.989 -11.480
277 HB3 SER 40 2HB SER 40 -1.270 9.585 -11.713
278 HG SER 40 HG SER 40 0.149 7.654 -13.141
279 H SER 41 H SER 41 1.212 12.805 -13.295
280 HA SER 41 HA SER 41 -0.351 14.016 -11.115
281 HB2 SER 41 1HB SER 41 1.414 15.721 -10.996
282 HB3 SER 41 2HB SER 41 2.090 14.104 -10.804
283 HG SER 41 HG SER 41 2.245 15.845 -13.014
284 H GLY 42 H GLY 42 -1.769 15.592 -11.546
285 HA2 GLY 42 1HA GLY 42 -1.530 17.429 -13.689
286 HA3 GLY 42 2HA GLY 42 -2.650 16.148 -14.127
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -21.464 -3.106 -3.899
2 HA2 GLY 1 1HA GLY 1 -19.689 -0.794 -4.262
3 HA3 GLY 1 2HA GLY 1 -21.321 -0.521 -3.671
4 H SER 2 H SER 2 -21.644 -2.654 -1.952
5 HA SER 2 HA SER 2 -20.174 -1.728 0.319
6 HB2 SER 2 1HB SER 2 -21.426 -3.535 1.527
7 HB3 SER 2 2HB SER 2 -22.463 -2.426 0.630
8 HG SER 2 HG SER 2 -21.903 -4.310 -1.059
9 H SER 3 H SER 3 -18.003 -2.176 -0.334
10 HA SER 3 HA SER 3 -17.021 -4.706 -1.019
11 HB2 SER 3 1HB SER 3 -15.548 -2.505 0.448
12 HB3 SER 3 2HB SER 3 -14.816 -3.826 -0.462
13 HG SER 3 HG SER 3 -15.507 -1.482 -1.380
14 H GLY 4 H GLY 4 -15.843 -6.250 0.215
15 HA2 GLY 4 1HA GLY 4 -17.015 -6.717 2.812
16 HA3 GLY 4 2HA GLY 4 -15.909 -7.782 1.957
17 H SER 5 H SER 5 -15.985 -4.669 3.677
18 HA SER 5 HA SER 5 -13.167 -4.995 4.372
19 HB2 SER 5 1HB SER 5 -15.092 -2.693 4.761
20 HB3 SER 5 2HB SER 5 -13.420 -2.683 5.323
21 HG SER 5 HG SER 5 -14.140 -3.162 2.626
22 H SER 6 H SER 6 -12.416 -5.271 6.431
23 HA SER 6 HA SER 6 -13.977 -6.664 8.270
24 HB2 SER 6 1HB SER 6 -11.467 -6.664 8.158
25 HB3 SER 6 2HB SER 6 -11.485 -5.075 8.922
26 HG SER 6 HG SER 6 -12.211 -5.952 10.770
27 H GLY 7 H GLY 7 -12.781 -3.308 8.537
28 HA2 GLY 7 1HA GLY 7 -15.192 -2.685 10.113
29 HA3 GLY 7 2HA GLY 7 -13.606 -2.222 10.712
30 H GLN 8 H GLN 8 -14.447 -0.039 10.714
31 HA GLN 8 HA GLN 8 -15.034 1.196 8.166
32 HB2 GLN 8 1HB GLN 8 -15.085 2.037 11.017
33 HB3 GLN 8 2HB GLN 8 -14.867 3.298 9.811
34 HG2 GLN 8 1HG GLN 8 -16.964 3.052 8.964
35 HG3 GLN 8 2HG GLN 8 -17.057 1.344 9.392
36 HE21 GLN 8 1HE2 GLN 8 -19.202 1.948 10.147
37 HE22 GLN 8 2HE2 GLN 8 -19.379 2.596 11.739
38 H LYS 9 H LYS 9 -13.574 2.034 6.843
39 HA LYS 9 HA LYS 9 -11.049 3.042 7.951
40 HB2 LYS 9 1HB LYS 9 -11.291 1.269 5.513
41 HB3 LYS 9 2HB LYS 9 -9.809 2.028 6.081
42 HG2 LYS 9 1HG LYS 9 -9.902 0.727 8.129
43 HG3 LYS 9 2HG LYS 9 -11.422 -0.004 7.611
44 HD2 LYS 9 1HD LYS 9 -10.298 -1.011 5.696
45 HD3 LYS 9 2HD LYS 9 -8.779 -0.249 6.172
46 HE2 LYS 9 1HE LYS 9 -10.240 -2.024 8.086
47 HE3 LYS 9 2HE LYS 9 -9.239 -2.727 6.816
48 HZ1 LYS 9 3HZ LYS 9 -8.370 -0.883 8.970
49 HZ2 LYS 9 1HZ LYS 9 -7.393 -1.312 7.656
50 HZ3 LYS 9 2HZ LYS 9 -7.908 -2.495 8.750
51 HA PRO 10 HA PRO 10 -12.849 6.280 5.285
52 HB2 PRO 10 1HB PRO 10 -11.713 8.327 6.661
53 HB3 PRO 10 2HB PRO 10 -13.221 7.553 7.161
54 HG2 PRO 10 1HG PRO 10 -10.439 7.112 8.173
55 HG3 PRO 10 2HG PRO 10 -11.952 7.252 9.087
56 HD2 PRO 10 1HD PRO 10 -10.797 4.866 8.539
57 HD3 PRO 10 2HD PRO 10 -12.556 5.068 8.664
58 H TYR 11 H TYR 11 -9.527 6.072 6.527
59 HA TYR 11 HA TYR 11 -8.407 7.665 4.441
60 HB2 TYR 11 1HB TYR 11 -6.929 5.687 6.179
61 HB3 TYR 11 2HB TYR 11 -6.279 7.113 5.377
62 HD1 TYR 11 HD1 TYR 11 -8.441 5.957 8.140
63 HD2 TYR 11 HD2 TYR 11 -6.411 9.262 6.390
64 HE1 TYR 11 HE1 TYR 11 -8.854 7.280 10.173
65 HE2 TYR 11 HE2 TYR 11 -6.817 10.593 8.418
66 HH TYR 11 HH TYR 11 -8.673 10.493 10.343
67 H VAL 12 H VAL 12 -8.958 6.835 2.453
68 HA VAL 12 HA VAL 12 -8.065 4.099 1.846
69 HB VAL 12 HB VAL 12 -9.973 5.872 0.314
70 HG11 VAL 12 1HG1 VAL 12 -8.449 4.067 -0.866
71 HG12 VAL 12 2HG1 VAL 12 -9.672 2.965 -0.231
72 HG13 VAL 12 3HG1 VAL 12 -10.142 4.277 -1.313
73 HG21 VAL 12 3HG2 VAL 12 -10.559 4.653 2.608
74 HG22 VAL 12 1HG2 VAL 12 -11.718 4.784 1.285
75 HG23 VAL 12 2HG2 VAL 12 -10.806 3.292 1.514
76 H CYS 13 H CYS 13 -6.569 3.706 0.289
77 HA CYS 13 HA CYS 13 -4.889 5.880 -0.521
78 HB2 CYS 13 1HB CYS 13 -4.290 3.375 0.016
79 HB3 CYS 13 2HB CYS 13 -4.649 3.135 -1.691
80 H ASN 14 H ASN 14 -4.923 7.003 -2.361
81 HA ASN 14 HA ASN 14 -6.967 6.397 -4.329
82 HB2 ASN 14 1HB ASN 14 -5.096 8.731 -3.933
83 HB3 ASN 14 2HB ASN 14 -6.130 8.584 -5.351
84 HD21 ASN 14 1HD2 ASN 14 -8.246 9.079 -5.199
85 HD22 ASN 14 2HD2 ASN 14 -9.011 9.643 -3.755
86 H GLU 15 H GLU 15 -3.895 5.380 -3.857
87 HA GLU 15 HA GLU 15 -3.053 5.486 -6.644
88 HB2 GLU 15 1HB GLU 15 -1.747 4.639 -4.081
89 HB3 GLU 15 2HB GLU 15 -1.078 4.119 -5.622
90 HG2 GLU 15 1HG GLU 15 -0.036 6.167 -4.666
91 HG3 GLU 15 2HG GLU 15 -0.672 6.356 -6.299
92 H CYS 16 H CYS 16 -3.860 3.065 -4.177
93 HA CYS 16 HA CYS 16 -4.247 1.110 -6.349
94 HB2 CYS 16 1HB CYS 16 -3.725 -0.650 -4.665
95 HB3 CYS 16 2HB CYS 16 -2.369 0.424 -4.992
96 H GLY 17 H GLY 17 -5.382 2.249 -3.198
97 HA2 GLY 17 1HA GLY 17 -7.808 2.573 -2.986
98 HA3 GLY 17 2HA GLY 17 -8.005 1.041 -3.824
99 H LYS 18 H LYS 18 -5.554 1.493 -1.386
100 HA LYS 18 HA LYS 18 -6.788 -0.593 0.217
101 HB2 LYS 18 1HB LYS 18 -4.268 -0.358 -0.392
102 HB3 LYS 18 2HB LYS 18 -4.230 0.813 0.920
103 HG2 LYS 18 1HG LYS 18 -4.620 -0.778 2.535
104 HG3 LYS 18 2HG LYS 18 -5.392 -1.891 1.403
105 HD2 LYS 18 1HD LYS 18 -3.168 -2.224 0.324
106 HD3 LYS 18 2HD LYS 18 -2.452 -1.243 1.605
107 HE2 LYS 18 1HE LYS 18 -4.051 -3.755 2.080
108 HE3 LYS 18 2HE LYS 18 -2.292 -3.706 1.978
109 HZ1 LYS 18 3HZ LYS 18 -4.032 -2.460 4.022
110 HZ2 LYS 18 1HZ LYS 18 -2.410 -2.020 3.829
111 HZ3 LYS 18 2HZ LYS 18 -2.810 -3.608 4.249
112 H ALA 19 H ALA 19 -7.908 -0.260 2.026
113 HA ALA 19 HA ALA 19 -8.146 2.474 3.032
114 HB1 ALA 19 3HB ALA 19 -10.023 0.525 2.557
115 HB2 ALA 19 1HB ALA 19 -9.825 0.464 4.308
116 HB3 ALA 19 2HB ALA 19 -10.267 1.980 3.522
117 H PHE 20 H PHE 20 -7.666 3.077 5.108
118 HA PHE 20 HA PHE 20 -6.518 1.038 6.885
119 HB2 PHE 20 1HB PHE 20 -5.301 3.767 6.421
120 HB3 PHE 20 2HB PHE 20 -4.669 2.496 7.463
121 HD1 PHE 20 HD1 PHE 20 -5.423 3.321 3.928
122 HD2 PHE 20 HD2 PHE 20 -3.208 0.883 6.625
123 HE1 PHE 20 HE1 PHE 20 -4.105 2.442 2.046
124 HE2 PHE 20 HE2 PHE 20 -1.886 0.002 4.747
125 HZ PHE 20 HZ PHE 20 -2.332 0.782 2.454
126 H GLY 21 H GLY 21 -7.819 0.999 8.599
127 HA2 GLY 21 1HA GLY 21 -9.677 2.819 9.416
128 HA3 GLY 21 2HA GLY 21 -8.844 1.741 10.527
129 H LEU 22 H LEU 22 -6.264 3.156 9.671
130 HA LEU 22 HA LEU 22 -6.630 5.528 11.382
131 HB2 LEU 22 1HB LEU 22 -4.563 3.412 11.328
132 HB3 LEU 22 2HB LEU 22 -4.005 5.057 11.625
133 HG LEU 22 HG LEU 22 -6.056 3.578 13.273
134 HD11 LEU 22 1HD1 LEU 22 -4.431 2.968 14.716
135 HD12 LEU 22 2HD1 LEU 22 -3.456 4.402 14.399
136 HD13 LEU 22 3HD1 LEU 22 -3.427 3.050 13.268
137 HD21 LEU 22 3HD2 LEU 22 -4.928 6.349 13.379
138 HD22 LEU 22 1HD2 LEU 22 -5.483 5.544 14.848
139 HD23 LEU 22 2HD2 LEU 22 -6.605 5.818 13.515
140 H LYS 23 H LYS 23 -5.173 7.327 10.964
141 HA LYS 23 HA LYS 23 -5.004 7.912 8.175
142 HB2 LYS 23 1HB LYS 23 -5.488 9.585 9.996
143 HB3 LYS 23 2HB LYS 23 -3.794 9.478 10.457
144 HG2 LYS 23 1HG LYS 23 -3.114 10.323 8.299
145 HG3 LYS 23 2HG LYS 23 -4.790 10.334 7.747
146 HD2 LYS 23 1HD LYS 23 -5.316 11.953 9.558
147 HD3 LYS 23 2HD LYS 23 -3.598 12.005 9.959
148 HE2 LYS 23 1HE LYS 23 -3.043 12.994 7.896
149 HE3 LYS 23 2HE LYS 23 -4.614 12.607 7.196
150 HZ1 LYS 23 3HZ LYS 23 -4.814 14.241 9.542
151 HZ2 LYS 23 1HZ LYS 23 -5.495 14.465 8.009
152 HZ3 LYS 23 2HZ LYS 23 -3.914 14.982 8.316
153 H SER 24 H SER 24 -2.434 8.047 10.646
154 HA SER 24 HA SER 24 -0.248 8.182 9.036
155 HB2 SER 24 1HB SER 24 0.172 8.310 11.343
156 HB3 SER 24 2HB SER 24 -0.659 6.790 11.672
157 HG SER 24 HG SER 24 1.923 7.243 10.707
158 H GLN 25 H GLN 25 -2.080 5.281 9.858
159 HA GLN 25 HA GLN 25 -0.442 3.304 8.876
160 HB2 GLN 25 1HB GLN 25 -3.449 3.537 8.766
161 HB3 GLN 25 2HB GLN 25 -2.580 2.072 8.328
162 HG2 GLN 25 1HG GLN 25 -2.587 3.414 11.022
163 HG3 GLN 25 2HG GLN 25 -3.405 1.914 10.588
164 HE21 GLN 25 1HE2 GLN 25 -1.695 1.972 12.702
165 HE22 GLN 25 2HE2 GLN 25 -0.262 1.082 12.329
166 H LEU 26 H LEU 26 -2.695 5.354 7.068
167 HA LEU 26 HA LEU 26 -2.148 4.102 4.555
168 HB2 LEU 26 1HB LEU 26 -4.262 5.156 4.845
169 HB3 LEU 26 2HB LEU 26 -3.506 6.677 5.313
170 HG LEU 26 HG LEU 26 -2.602 6.822 2.965
171 HD11 LEU 26 1HD1 LEU 26 -4.458 4.480 2.619
172 HD12 LEU 26 2HD1 LEU 26 -2.741 4.575 2.227
173 HD13 LEU 26 3HD1 LEU 26 -3.913 5.492 1.281
174 HD21 LEU 26 3HD2 LEU 26 -4.383 8.073 2.387
175 HD22 LEU 26 1HD2 LEU 26 -4.932 7.693 4.019
176 HD23 LEU 26 2HD2 LEU 26 -5.528 6.756 2.649
177 H ILE 27 H ILE 27 -1.034 7.027 6.194
178 HA ILE 27 HA ILE 27 0.394 8.216 4.137
179 HB ILE 27 HB ILE 27 1.276 8.152 7.022
180 HG12 ILE 27 1HG1 ILE 27 -0.771 9.907 5.652
181 HG13 ILE 27 2HG1 ILE 27 -1.071 8.757 6.951
182 HG21 ILE 27 1HG2 ILE 27 2.237 9.488 4.675
183 HG22 ILE 27 2HG2 ILE 27 1.663 10.672 5.849
184 HG23 ILE 27 3HG2 ILE 27 2.894 9.496 6.311
185 HD11 ILE 27 3HD1 ILE 27 0.751 10.310 8.145
186 HD12 ILE 27 1HD1 ILE 27 0.029 11.487 7.047
187 HD13 ILE 27 2HD1 ILE 27 -0.984 10.622 8.204
188 H ILE 28 H ILE 28 1.446 5.719 6.427
189 HA ILE 28 HA ILE 28 4.108 5.561 5.469
190 HB ILE 28 HB ILE 28 2.508 3.447 6.916
191 HG12 ILE 28 1HG1 ILE 28 4.531 5.190 8.251
192 HG13 ILE 28 2HG1 ILE 28 2.940 5.865 7.918
193 HG21 ILE 28 1HG2 ILE 28 4.507 2.339 7.375
194 HG22 ILE 28 2HG2 ILE 28 4.667 2.807 5.683
195 HG23 ILE 28 3HG2 ILE 28 5.491 3.736 6.936
196 HD11 ILE 28 3HD1 ILE 28 1.874 4.266 9.284
197 HD12 ILE 28 1HD1 ILE 28 3.334 3.285 9.398
198 HD13 ILE 28 2HD1 ILE 28 3.263 4.857 10.195
199 H HIS 29 H HIS 29 1.109 4.011 4.542
200 HA HIS 29 HA HIS 29 2.289 1.995 2.910
201 HB2 HIS 29 1HB HIS 29 0.081 1.582 3.683
202 HB3 HIS 29 2HB HIS 29 -0.498 3.134 3.085
203 HD1 HIS 29 HD1 HIS 29 0.658 -0.233 1.806
204 HD2 HIS 29 HD2 HIS 29 -1.478 3.095 0.529
205 HE1 HIS 29 HE1 HIS 29 -0.311 -0.871 -0.425
206 H GLU 30 H GLU 30 0.620 5.046 2.121
207 HA GLU 30 HA GLU 30 0.864 5.040 -0.606
208 HB2 GLU 30 1HB GLU 30 1.227 7.432 1.207
209 HB3 GLU 30 2HB GLU 30 0.827 7.493 -0.504
210 HG2 GLU 30 1HG GLU 30 -1.317 6.632 -0.152
211 HG3 GLU 30 2HG GLU 30 -0.916 6.058 1.465
212 H ARG 31 H ARG 31 3.378 5.255 1.713
213 HA ARG 31 HA ARG 31 5.352 6.667 0.369
214 HB2 ARG 31 1HB ARG 31 5.620 4.263 2.182
215 HB3 ARG 31 2HB ARG 31 6.965 5.275 1.674
216 HG2 ARG 31 1HG ARG 31 5.939 7.198 2.773
217 HG3 ARG 31 2HG ARG 31 4.586 6.185 3.278
218 HD2 ARG 31 1HD ARG 31 6.042 6.332 5.138
219 HD3 ARG 31 2HD ARG 31 6.271 4.724 4.452
220 HE ARG 31 HE ARG 31 8.440 5.276 4.009
221 HH11 ARG 31 1HH1 ARG 31 6.619 8.202 4.505
222 HH12 ARG 31 2HH1 ARG 31 8.010 9.232 4.447
223 HH21 ARG 31 1HH2 ARG 31 10.280 6.623 3.930
224 HH22 ARG 31 2HH2 ARG 31 10.092 8.333 4.119
225 H ILE 32 H ILE 32 4.206 3.396 -0.109
226 HA ILE 32 HA ILE 32 6.305 2.370 -1.640
227 HB ILE 32 HB ILE 32 4.764 0.728 -2.473
228 HG12 ILE 32 1HG1 ILE 32 2.535 2.469 -1.398
229 HG13 ILE 32 2HG1 ILE 32 2.963 2.328 -3.100
230 HG21 ILE 32 1HG2 ILE 32 3.571 0.120 -0.284
231 HG22 ILE 32 2HG2 ILE 32 5.329 0.245 -0.263
232 HG23 ILE 32 3HG2 ILE 32 4.344 1.561 0.375
233 HD11 ILE 32 3HD1 ILE 32 1.282 0.653 -1.498
234 HD12 ILE 32 1HD1 ILE 32 1.536 0.648 -3.243
235 HD13 ILE 32 2HD1 ILE 32 2.600 -0.289 -2.193
236 H HIS 33 H HIS 33 3.633 4.466 -2.512
237 HA HIS 33 HA HIS 33 4.263 4.321 -5.342
238 HB2 HIS 33 1HB HIS 33 2.291 6.150 -3.964
239 HB3 HIS 33 2HB HIS 33 2.351 5.745 -5.677
240 HD1 HIS 33 HD1 HIS 33 2.034 2.989 -6.076
241 HD2 HIS 33 HD2 HIS 33 0.455 4.693 -2.632
242 HE1 HIS 33 HE1 HIS 33 0.300 1.363 -5.255
243 H THR 34 H THR 34 4.395 6.710 -2.725
244 HA THR 34 HA THR 34 5.186 8.971 -3.991
245 HB THR 34 HB THR 34 6.399 9.634 -2.011
246 HG1 THR 34 HG1 THR 34 7.588 7.678 -1.710
247 HG21 THR 34 3HG2 THR 34 3.816 9.113 -2.008
248 HG22 THR 34 1HG2 THR 34 4.648 9.572 -0.522
249 HG23 THR 34 2HG2 THR 34 4.291 7.875 -0.846
250 H GLY 35 H GLY 35 7.092 6.070 -3.528
251 HA2 GLY 35 1HA GLY 35 9.661 6.723 -3.861
252 HA3 GLY 35 2HA GLY 35 8.943 5.402 -4.771
253 H GLU 36 H GLU 36 8.283 5.754 -6.925
254 HA GLU 36 HA GLU 36 9.848 7.786 -8.268
255 HB2 GLU 36 1HB GLU 36 9.281 6.645 -10.306
256 HB3 GLU 36 2HB GLU 36 9.714 5.440 -9.102
257 HG2 GLU 36 1HG GLU 36 6.849 6.152 -9.398
258 HG3 GLU 36 2HG GLU 36 7.602 5.166 -10.651
259 H SER 37 H SER 37 7.663 8.726 -6.655
260 HA SER 37 HA SER 37 5.692 9.926 -6.751
261 HB2 SER 37 1HB SER 37 7.593 11.469 -7.400
262 HB3 SER 37 2HB SER 37 7.121 11.219 -9.081
263 HG SER 37 HG SER 37 6.182 13.044 -7.594
264 H GLY 38 H GLY 38 5.298 7.522 -8.081
265 HA2 GLY 38 1HA GLY 38 4.399 7.662 -10.713
266 HA3 GLY 38 2HA GLY 38 3.806 6.525 -9.511
267 HA PRO 39 HA PRO 39 0.803 10.215 -10.461
268 HB2 PRO 39 1HB PRO 39 -0.236 9.594 -12.891
269 HB3 PRO 39 2HB PRO 39 1.159 10.659 -12.687
270 HG2 PRO 39 1HG PRO 39 1.082 7.756 -13.413
271 HG3 PRO 39 2HG PRO 39 2.076 9.055 -14.098
272 HD2 PRO 39 1HD PRO 39 3.032 7.294 -12.277
273 HD3 PRO 39 2HD PRO 39 3.596 8.975 -12.367
274 H SER 40 H SER 40 -1.524 10.030 -10.458
275 HA SER 40 HA SER 40 -2.436 7.639 -9.230
276 HB2 SER 40 1HB SER 40 -4.604 8.726 -9.132
277 HB3 SER 40 2HB SER 40 -3.353 9.902 -8.733
278 HG SER 40 HG SER 40 -5.098 10.471 -10.339
279 H SER 41 H SER 41 -2.964 5.810 -10.203
280 HA SER 41 HA SER 41 -4.044 5.931 -12.943
281 HB2 SER 41 1HB SER 41 -3.019 3.756 -13.366
282 HB3 SER 41 2HB SER 41 -1.792 4.904 -12.830
283 HG SER 41 HG SER 41 -1.380 3.254 -11.536
284 H GLY 42 H GLY 42 -5.741 6.184 -10.766
285 HA2 GLY 42 1HA GLY 42 -7.958 5.069 -10.894
286 HA3 GLY 42 2HA GLY 42 -7.085 3.552 -10.734
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -17.058 -14.802 -1.582
2 HA2 GLY 1 1HA GLY 1 -16.225 -13.383 0.024
3 HA3 GLY 1 2HA GLY 1 -17.258 -14.292 1.118
4 H SER 2 H SER 2 -14.048 -14.275 -0.379
5 HA SER 2 HA SER 2 -13.037 -16.130 1.616
6 HB2 SER 2 1HB SER 2 -10.880 -15.866 0.365
7 HB3 SER 2 2HB SER 2 -12.218 -16.431 -0.635
8 HG SER 2 HG SER 2 -11.822 -14.775 -1.848
9 H SER 3 H SER 3 -12.525 -12.759 0.633
10 HA SER 3 HA SER 3 -10.996 -12.307 3.099
11 HB2 SER 3 1HB SER 3 -9.871 -11.592 1.056
12 HB3 SER 3 2HB SER 3 -11.261 -10.601 0.611
13 HG SER 3 HG SER 3 -10.771 -9.658 2.866
14 H GLY 4 H GLY 4 -12.070 -11.516 4.775
15 HA2 GLY 4 1HA GLY 4 -14.036 -9.394 4.340
16 HA3 GLY 4 2HA GLY 4 -14.591 -10.848 5.156
17 H SER 5 H SER 5 -13.757 -7.818 5.764
18 HA SER 5 HA SER 5 -12.632 -8.490 8.401
19 HB2 SER 5 1HB SER 5 -11.410 -6.298 8.306
20 HB3 SER 5 2HB SER 5 -10.841 -7.488 7.137
21 HG SER 5 HG SER 5 -11.713 -6.352 5.523
22 H SER 6 H SER 6 -13.025 -6.768 10.041
23 HA SER 6 HA SER 6 -15.654 -5.511 9.593
24 HB2 SER 6 1HB SER 6 -14.513 -6.963 11.946
25 HB3 SER 6 2HB SER 6 -15.676 -5.668 12.231
26 HG SER 6 HG SER 6 -16.128 -8.179 11.422
27 H GLY 7 H GLY 7 -16.046 -3.470 10.566
28 HA2 GLY 7 1HA GLY 7 -15.211 -1.634 11.954
29 HA3 GLY 7 2HA GLY 7 -13.599 -2.025 11.372
30 H GLN 8 H GLN 8 -13.921 0.448 11.045
31 HA GLN 8 HA GLN 8 -14.858 0.846 8.281
32 HB2 GLN 8 1HB GLN 8 -15.326 2.460 10.732
33 HB3 GLN 8 2HB GLN 8 -15.048 3.339 9.234
34 HG2 GLN 8 1HG GLN 8 -16.971 2.538 8.248
35 HG3 GLN 8 2HG GLN 8 -17.054 1.133 9.310
36 HE21 GLN 8 1HE2 GLN 8 -17.974 1.330 11.330
37 HE22 GLN 8 2HE2 GLN 8 -18.895 2.711 11.806
38 H LYS 9 H LYS 9 -13.508 1.875 6.897
39 HA LYS 9 HA LYS 9 -11.016 2.996 7.987
40 HB2 LYS 9 1HB LYS 9 -11.272 1.146 5.610
41 HB3 LYS 9 2HB LYS 9 -9.801 2.001 6.056
42 HG2 LYS 9 1HG LYS 9 -9.797 0.811 8.214
43 HG3 LYS 9 2HG LYS 9 -11.223 -0.089 7.693
44 HD2 LYS 9 1HD LYS 9 -9.920 -0.938 5.760
45 HD3 LYS 9 2HD LYS 9 -8.495 -0.119 6.403
46 HE2 LYS 9 1HE LYS 9 -8.417 -2.429 7.054
47 HE3 LYS 9 2HE LYS 9 -8.737 -1.449 8.485
48 HZ1 LYS 9 3HZ LYS 9 -11.168 -1.962 8.032
49 HZ2 LYS 9 1HZ LYS 9 -10.216 -3.227 8.629
50 HZ3 LYS 9 2HZ LYS 9 -10.615 -3.171 6.986
51 HA PRO 10 HA PRO 10 -12.869 6.190 5.314
52 HB2 PRO 10 1HB PRO 10 -11.701 8.257 6.632
53 HB3 PRO 10 2HB PRO 10 -13.194 7.487 7.182
54 HG2 PRO 10 1HG PRO 10 -10.385 7.064 8.127
55 HG3 PRO 10 2HG PRO 10 -11.874 7.214 9.077
56 HD2 PRO 10 1HD PRO 10 -10.729 4.822 8.532
57 HD3 PRO 10 2HD PRO 10 -12.485 5.024 8.700
58 H TYR 11 H TYR 11 -9.515 6.074 6.496
59 HA TYR 11 HA TYR 11 -8.454 7.618 4.355
60 HB2 TYR 11 1HB TYR 11 -6.972 5.673 6.133
61 HB3 TYR 11 2HB TYR 11 -6.283 7.010 5.219
62 HD1 TYR 11 HD1 TYR 11 -8.356 6.120 8.133
63 HD2 TYR 11 HD2 TYR 11 -6.358 9.250 6.057
64 HE1 TYR 11 HE1 TYR 11 -8.658 7.594 10.079
65 HE2 TYR 11 HE2 TYR 11 -6.653 10.733 7.997
66 HH TYR 11 HH TYR 11 -7.831 10.996 9.951
67 H VAL 12 H VAL 12 -8.838 6.858 2.345
68 HA VAL 12 HA VAL 12 -8.054 4.080 1.756
69 HB VAL 12 HB VAL 12 -9.929 5.882 0.218
70 HG11 VAL 12 1HG1 VAL 12 -10.409 3.605 -0.932
71 HG12 VAL 12 2HG1 VAL 12 -8.998 4.543 -1.425
72 HG13 VAL 12 3HG1 VAL 12 -8.807 3.166 -0.339
73 HG21 VAL 12 3HG2 VAL 12 -10.717 4.913 2.431
74 HG22 VAL 12 1HG2 VAL 12 -11.706 4.556 1.016
75 HG23 VAL 12 2HG2 VAL 12 -10.612 3.332 1.658
76 H CYS 13 H CYS 13 -6.475 3.683 0.314
77 HA CYS 13 HA CYS 13 -4.811 5.841 -0.545
78 HB2 CYS 13 1HB CYS 13 -4.199 3.363 0.071
79 HB3 CYS 13 2HB CYS 13 -4.539 3.063 -1.630
80 H ASN 14 H ASN 14 -5.007 7.012 -2.329
81 HA ASN 14 HA ASN 14 -6.944 6.297 -4.343
82 HB2 ASN 14 1HB ASN 14 -5.063 8.659 -4.136
83 HB3 ASN 14 2HB ASN 14 -6.316 8.476 -5.360
84 HD21 ASN 14 1HD2 ASN 14 -6.200 10.644 -3.645
85 HD22 ASN 14 2HD2 ASN 14 -7.563 10.594 -2.584
86 H GLU 15 H GLU 15 -3.846 5.368 -3.817
87 HA GLU 15 HA GLU 15 -2.975 5.438 -6.594
88 HB2 GLU 15 1HB GLU 15 -1.685 4.621 -4.009
89 HB3 GLU 15 2HB GLU 15 -0.981 4.145 -5.548
90 HG2 GLU 15 1HG GLU 15 -0.076 6.247 -4.467
91 HG3 GLU 15 2HG GLU 15 -0.542 6.357 -6.164
92 H CYS 16 H CYS 16 -3.735 3.027 -4.098
93 HA CYS 16 HA CYS 16 -4.064 1.037 -6.247
94 HB2 CYS 16 1HB CYS 16 -3.509 -0.690 -4.568
95 HB3 CYS 16 2HB CYS 16 -2.189 0.449 -4.811
96 H GLY 17 H GLY 17 -5.303 2.268 -3.181
97 HA2 GLY 17 1HA GLY 17 -7.727 2.527 -3.002
98 HA3 GLY 17 2HA GLY 17 -7.883 0.981 -3.822
99 H LYS 18 H LYS 18 -5.447 1.412 -1.390
100 HA LYS 18 HA LYS 18 -6.722 -0.621 0.241
101 HB2 LYS 18 1HB LYS 18 -4.195 -0.420 -0.362
102 HB3 LYS 18 2HB LYS 18 -4.150 0.756 0.944
103 HG2 LYS 18 1HG LYS 18 -4.608 -0.826 2.565
104 HG3 LYS 18 2HG LYS 18 -5.324 -1.951 1.408
105 HD2 LYS 18 1HD LYS 18 -3.020 -2.176 0.393
106 HD3 LYS 18 2HD LYS 18 -2.410 -1.292 1.794
107 HE2 LYS 18 1HE LYS 18 -4.087 -3.772 2.064
108 HE3 LYS 18 2HE LYS 18 -2.334 -3.839 1.894
109 HZ1 LYS 18 3HZ LYS 18 -2.733 -1.997 3.858
110 HZ2 LYS 18 1HZ LYS 18 -2.286 -3.611 4.092
111 HZ3 LYS 18 2HZ LYS 18 -3.914 -3.164 4.183
112 H ALA 19 H ALA 19 -7.886 -0.234 2.006
113 HA ALA 19 HA ALA 19 -8.062 2.509 2.998
114 HB1 ALA 19 3HB ALA 19 -10.126 1.258 2.418
115 HB2 ALA 19 1HB ALA 19 -9.768 0.134 3.730
116 HB3 ALA 19 2HB ALA 19 -10.094 1.831 4.086
117 H PHE 20 H PHE 20 -7.712 3.086 5.133
118 HA PHE 20 HA PHE 20 -6.595 1.042 6.916
119 HB2 PHE 20 1HB PHE 20 -5.319 3.745 6.457
120 HB3 PHE 20 2HB PHE 20 -4.737 2.479 7.534
121 HD1 PHE 20 HD1 PHE 20 -5.387 3.261 3.969
122 HD2 PHE 20 HD2 PHE 20 -3.281 0.831 6.758
123 HE1 PHE 20 HE1 PHE 20 -4.037 2.331 2.134
124 HE2 PHE 20 HE2 PHE 20 -1.927 -0.102 4.928
125 HZ PHE 20 HZ PHE 20 -2.303 0.649 2.613
126 H GLY 21 H GLY 21 -7.747 1.052 8.724
127 HA2 GLY 21 1HA GLY 21 -9.654 2.903 9.465
128 HA3 GLY 21 2HA GLY 21 -8.856 1.811 10.588
129 H LEU 22 H LEU 22 -6.263 3.246 9.652
130 HA LEU 22 HA LEU 22 -6.593 5.605 11.388
131 HB2 LEU 22 1HB LEU 22 -4.567 3.450 11.372
132 HB3 LEU 22 2HB LEU 22 -3.977 5.086 11.656
133 HG LEU 22 HG LEU 22 -6.069 3.664 13.304
134 HD11 LEU 22 1HD1 LEU 22 -3.784 4.333 14.806
135 HD12 LEU 22 2HD1 LEU 22 -3.216 3.533 13.341
136 HD13 LEU 22 3HD1 LEU 22 -4.382 2.727 14.390
137 HD21 LEU 22 3HD2 LEU 22 -6.588 5.907 13.533
138 HD22 LEU 22 1HD2 LEU 22 -4.908 6.420 13.369
139 HD23 LEU 22 2HD2 LEU 22 -5.453 5.647 14.858
140 H LYS 23 H LYS 23 -5.122 7.382 10.965
141 HA LYS 23 HA LYS 23 -4.915 7.949 8.180
142 HB2 LYS 23 1HB LYS 23 -5.393 9.744 9.712
143 HB3 LYS 23 2HB LYS 23 -3.921 9.425 10.621
144 HG2 LYS 23 1HG LYS 23 -2.614 10.043 8.596
145 HG3 LYS 23 2HG LYS 23 -4.130 10.513 7.822
146 HD2 LYS 23 1HD LYS 23 -3.537 11.650 10.501
147 HD3 LYS 23 2HD LYS 23 -2.603 12.254 9.130
148 HE2 LYS 23 1HE LYS 23 -4.383 13.698 9.097
149 HE3 LYS 23 2HE LYS 23 -4.968 12.441 8.009
150 HZ1 LYS 23 3HZ LYS 23 -5.874 11.489 10.287
151 HZ2 LYS 23 1HZ LYS 23 -6.754 12.605 9.368
152 HZ3 LYS 23 2HZ LYS 23 -5.856 13.129 10.702
153 H SER 24 H SER 24 -2.330 8.104 10.629
154 HA SER 24 HA SER 24 -0.151 8.150 9.018
155 HB2 SER 24 1HB SER 24 0.176 8.303 11.374
156 HB3 SER 24 2HB SER 24 -0.529 6.710 11.646
157 HG SER 24 HG SER 24 1.614 6.688 9.939
158 H GLN 25 H GLN 25 -2.030 5.295 9.898
159 HA GLN 25 HA GLN 25 -0.432 3.276 8.935
160 HB2 GLN 25 1HB GLN 25 -3.435 3.556 8.854
161 HB3 GLN 25 2HB GLN 25 -2.596 2.071 8.427
162 HG2 GLN 25 1HG GLN 25 -2.582 3.448 11.101
163 HG3 GLN 25 2HG GLN 25 -3.379 1.930 10.690
164 HE21 GLN 25 1HE2 GLN 25 -1.632 2.096 12.797
165 HE22 GLN 25 2HE2 GLN 25 -0.200 1.201 12.432
166 H LEU 26 H LEU 26 -2.639 5.361 7.118
167 HA LEU 26 HA LEU 26 -2.111 4.051 4.618
168 HB2 LEU 26 1HB LEU 26 -4.238 5.051 4.847
169 HB3 LEU 26 2HB LEU 26 -3.543 6.579 5.382
170 HG LEU 26 HG LEU 26 -2.555 6.752 3.031
171 HD11 LEU 26 1HD1 LEU 26 -3.234 5.372 1.357
172 HD12 LEU 26 2HD1 LEU 26 -4.772 4.997 2.135
173 HD13 LEU 26 3HD1 LEU 26 -3.288 4.227 2.697
174 HD21 LEU 26 3HD2 LEU 26 -4.653 7.895 4.058
175 HD22 LEU 26 1HD2 LEU 26 -5.543 6.814 2.986
176 HD23 LEU 26 2HD2 LEU 26 -4.386 7.964 2.316
177 H ILE 27 H ILE 27 -1.124 7.095 6.144
178 HA ILE 27 HA ILE 27 0.303 8.239 4.079
179 HB ILE 27 HB ILE 27 1.216 8.289 6.952
180 HG12 ILE 27 1HG1 ILE 27 -0.994 9.840 5.594
181 HG13 ILE 27 2HG1 ILE 27 -1.140 8.770 6.984
182 HG21 ILE 27 1HG2 ILE 27 2.346 9.407 4.739
183 HG22 ILE 27 2HG2 ILE 27 1.319 10.717 5.321
184 HG23 ILE 27 3HG2 ILE 27 2.535 10.011 6.385
185 HD11 ILE 27 3HD1 ILE 27 -0.106 10.303 8.411
186 HD12 ILE 27 1HD1 ILE 27 0.539 11.248 7.070
187 HD13 ILE 27 2HD1 ILE 27 -1.191 11.271 7.413
188 H ILE 28 H ILE 28 1.363 5.778 6.390
189 HA ILE 28 HA ILE 28 4.052 5.683 5.461
190 HB ILE 28 HB ILE 28 2.515 3.553 6.952
191 HG12 ILE 28 1HG1 ILE 28 4.430 5.426 8.271
192 HG13 ILE 28 2HG1 ILE 28 2.812 6.012 7.899
193 HG21 ILE 28 1HG2 ILE 28 4.617 2.819 5.847
194 HG22 ILE 28 2HG2 ILE 28 5.488 4.019 6.800
195 HG23 ILE 28 3HG2 ILE 28 4.657 2.689 7.605
196 HD11 ILE 28 3HD1 ILE 28 3.433 3.567 9.538
197 HD12 ILE 28 1HD1 ILE 28 3.009 5.152 10.184
198 HD13 ILE 28 2HD1 ILE 28 1.836 4.247 9.226
199 H HIS 29 H HIS 29 1.095 4.012 4.596
200 HA HIS 29 HA HIS 29 2.321 1.985 3.019
201 HB2 HIS 29 1HB HIS 29 0.126 1.533 3.787
202 HB3 HIS 29 2HB HIS 29 -0.488 3.065 3.175
203 HD1 HIS 29 HD1 HIS 29 0.621 -0.334 1.986
204 HD2 HIS 29 HD2 HIS 29 -1.369 3.024 0.564
205 HE1 HIS 29 HE1 HIS 29 -0.317 -1.005 -0.248
206 H GLU 30 H GLU 30 0.688 5.037 2.187
207 HA GLU 30 HA GLU 30 0.878 4.954 -0.552
208 HB2 GLU 30 1HB GLU 30 1.291 7.389 1.193
209 HB3 GLU 30 2HB GLU 30 0.854 7.405 -0.510
210 HG2 GLU 30 1HG GLU 30 -1.287 6.550 -0.084
211 HG3 GLU 30 2HG GLU 30 -0.852 6.053 1.550
212 H ARG 31 H ARG 31 3.423 5.155 1.718
213 HA ARG 31 HA ARG 31 5.401 6.540 0.360
214 HB2 ARG 31 1HB ARG 31 5.665 4.101 2.127
215 HB3 ARG 31 2HB ARG 31 7.011 5.115 1.622
216 HG2 ARG 31 1HG ARG 31 6.096 7.001 2.807
217 HG3 ARG 31 2HG ARG 31 4.648 6.081 3.217
218 HD2 ARG 31 1HD ARG 31 6.621 6.337 4.933
219 HD3 ARG 31 2HD ARG 31 5.727 4.824 4.797
220 HE ARG 31 HE ARG 31 7.634 3.818 4.040
221 HH11 ARG 31 1HH1 ARG 31 7.983 7.268 3.734
222 HH12 ARG 31 2HH1 ARG 31 9.650 7.190 3.268
223 HH21 ARG 31 1HH2 ARG 31 9.827 3.701 3.427
224 HH22 ARG 31 2HH2 ARG 31 10.698 5.160 3.092
225 H ILE 32 H ILE 32 4.171 3.312 -0.165
226 HA ILE 32 HA ILE 32 6.251 2.307 -1.768
227 HB ILE 32 HB ILE 32 4.703 0.637 -2.533
228 HG12 ILE 32 1HG1 ILE 32 2.516 2.372 -1.365
229 HG13 ILE 32 2HG1 ILE 32 2.831 2.148 -3.082
230 HG21 ILE 32 1HG2 ILE 32 4.896 1.386 0.269
231 HG22 ILE 32 2HG2 ILE 32 3.473 0.406 -0.078
232 HG23 ILE 32 3HG2 ILE 32 5.078 -0.192 -0.496
233 HD11 ILE 32 3HD1 ILE 32 2.452 -0.338 -2.632
234 HD12 ILE 32 1HD1 ILE 32 1.748 0.184 -1.103
235 HD13 ILE 32 2HD1 ILE 32 1.049 0.729 -2.628
236 H HIS 33 H HIS 33 3.807 4.638 -2.401
237 HA HIS 33 HA HIS 33 4.198 4.427 -5.298
238 HB2 HIS 33 1HB HIS 33 2.255 6.192 -3.799
239 HB3 HIS 33 2HB HIS 33 2.264 5.855 -5.528
240 HD1 HIS 33 HD1 HIS 33 1.994 3.095 -6.006
241 HD2 HIS 33 HD2 HIS 33 0.455 4.676 -2.486
242 HE1 HIS 33 HE1 HIS 33 0.302 1.419 -5.200
243 H THR 34 H THR 34 4.484 6.718 -2.619
244 HA THR 34 HA THR 34 5.153 9.044 -3.832
245 HB THR 34 HB THR 34 6.528 9.622 -1.930
246 HG1 THR 34 HG1 THR 34 6.724 6.823 -1.674
247 HG21 THR 34 3HG2 THR 34 4.056 9.391 -1.622
248 HG22 THR 34 1HG2 THR 34 4.989 9.192 -0.139
249 HG23 THR 34 2HG2 THR 34 4.341 7.778 -0.970
250 H GLY 35 H GLY 35 7.109 6.145 -3.678
251 HA2 GLY 35 1HA GLY 35 9.594 7.209 -4.405
252 HA3 GLY 35 2HA GLY 35 9.065 5.564 -4.728
253 H GLU 36 H GLU 36 8.322 5.013 -6.750
254 HA GLU 36 HA GLU 36 8.909 6.963 -8.846
255 HB2 GLU 36 1HB GLU 36 8.912 5.060 -10.370
256 HB3 GLU 36 2HB GLU 36 9.968 4.752 -8.999
257 HG2 GLU 36 1HG GLU 36 8.888 2.750 -9.165
258 HG3 GLU 36 2HG GLU 36 7.852 3.584 -8.008
259 H SER 37 H SER 37 7.395 7.869 -10.097
260 HA SER 37 HA SER 37 4.856 6.678 -10.617
261 HB2 SER 37 1HB SER 37 4.468 7.488 -8.307
262 HB3 SER 37 2HB SER 37 4.874 9.123 -8.829
263 HG SER 37 HG SER 37 2.558 8.482 -8.777
264 H GLY 38 H GLY 38 4.404 7.268 -12.626
265 HA2 GLY 38 1HA GLY 38 5.795 9.246 -14.039
266 HA3 GLY 38 2HA GLY 38 4.297 8.491 -14.565
267 HA PRO 39 HA PRO 39 3.787 13.057 -13.240
268 HB2 PRO 39 1HB PRO 39 3.826 14.229 -15.688
269 HB3 PRO 39 2HB PRO 39 5.276 14.024 -14.699
270 HG2 PRO 39 1HG PRO 39 4.302 12.370 -16.995
271 HG3 PRO 39 2HG PRO 39 5.947 12.923 -16.633
272 HD2 PRO 39 1HD PRO 39 5.100 10.411 -16.081
273 HD3 PRO 39 2HD PRO 39 6.302 11.254 -15.083
274 H SER 40 H SER 40 2.322 10.655 -14.987
275 HA SER 40 HA SER 40 -0.035 12.234 -15.701
276 HB2 SER 40 1HB SER 40 0.873 10.617 -17.356
277 HB3 SER 40 2HB SER 40 0.539 9.307 -16.225
278 HG SER 40 HG SER 40 -1.490 11.088 -17.043
279 H SER 41 H SER 41 0.412 12.050 -12.978
280 HA SER 41 HA SER 41 -2.051 10.862 -12.111
281 HB2 SER 41 1HB SER 41 -0.247 8.989 -12.130
282 HB3 SER 41 2HB SER 41 0.390 9.810 -10.705
283 HG SER 41 HG SER 41 -1.751 9.594 -9.801
284 H GLY 42 H GLY 42 -2.865 12.385 -10.842
285 HA2 GLY 42 1HA GLY 42 -1.602 13.288 -8.488
286 HA3 GLY 42 2HA GLY 42 -1.417 14.509 -9.739
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -15.865 -16.255 9.329
2 HA2 GLY 1 1HA GLY 1 -17.774 -15.483 10.624
3 HA3 GLY 1 2HA GLY 1 -17.410 -16.740 11.797
4 H SER 2 H SER 2 -17.452 -13.576 11.557
5 HA SER 2 HA SER 2 -15.313 -13.241 13.506
6 HB2 SER 2 1HB SER 2 -14.357 -12.736 11.223
7 HB3 SER 2 2HB SER 2 -15.501 -11.398 11.116
8 HG SER 2 HG SER 2 -13.163 -11.243 12.126
9 H SER 3 H SER 3 -15.568 -11.426 14.853
10 HA SER 3 HA SER 3 -18.252 -10.697 15.366
11 HB2 SER 3 1HB SER 3 -15.721 -9.400 16.407
12 HB3 SER 3 2HB SER 3 -17.332 -9.248 17.107
13 HG SER 3 HG SER 3 -16.118 -11.771 16.758
14 H GLY 4 H GLY 4 -15.491 -8.728 14.247
15 HA2 GLY 4 1HA GLY 4 -17.455 -6.827 13.124
16 HA3 GLY 4 2HA GLY 4 -15.874 -6.358 13.729
17 H SER 5 H SER 5 -17.127 -8.783 11.430
18 HA SER 5 HA SER 5 -14.861 -8.765 9.778
19 HB2 SER 5 1HB SER 5 -16.830 -10.449 9.877
20 HB3 SER 5 2HB SER 5 -17.616 -9.365 8.730
21 HG SER 5 HG SER 5 -15.337 -9.639 7.675
22 H SER 6 H SER 6 -17.909 -6.972 9.566
23 HA SER 6 HA SER 6 -17.760 -5.776 7.139
24 HB2 SER 6 1HB SER 6 -19.427 -5.413 9.124
25 HB3 SER 6 2HB SER 6 -18.382 -4.047 9.513
26 HG SER 6 HG SER 6 -20.317 -4.033 7.807
27 H GLY 7 H GLY 7 -16.315 -4.347 10.078
28 HA2 GLY 7 1HA GLY 7 -14.480 -2.993 10.350
29 HA3 GLY 7 2HA GLY 7 -13.867 -3.686 8.856
30 H GLN 8 H GLN 8 -13.730 -0.926 9.864
31 HA GLN 8 HA GLN 8 -14.859 0.375 7.494
32 HB2 GLN 8 1HB GLN 8 -15.479 2.344 8.902
33 HB3 GLN 8 2HB GLN 8 -16.440 0.906 9.217
34 HG2 GLN 8 1HG GLN 8 -14.063 1.693 10.877
35 HG3 GLN 8 2HG GLN 8 -15.711 2.203 11.237
36 HE21 GLN 8 1HE2 GLN 8 -13.538 0.229 12.338
37 HE22 GLN 8 2HE2 GLN 8 -14.486 -1.147 12.776
38 H LYS 9 H LYS 9 -13.475 1.708 6.498
39 HA LYS 9 HA LYS 9 -11.241 2.864 7.977
40 HB2 LYS 9 1HB LYS 9 -10.882 1.155 5.508
41 HB3 LYS 9 2HB LYS 9 -9.617 2.113 6.265
42 HG2 LYS 9 1HG LYS 9 -9.824 0.771 8.301
43 HG3 LYS 9 2HG LYS 9 -11.080 -0.198 7.526
44 HD2 LYS 9 1HD LYS 9 -9.195 -0.466 5.675
45 HD3 LYS 9 2HD LYS 9 -8.145 -0.153 7.059
46 HE2 LYS 9 1HE LYS 9 -9.202 -1.996 8.273
47 HE3 LYS 9 2HE LYS 9 -10.258 -2.302 6.895
48 HZ1 LYS 9 3HZ LYS 9 -8.085 -3.666 7.210
49 HZ2 LYS 9 1HZ LYS 9 -7.349 -2.321 6.497
50 HZ3 LYS 9 2HZ LYS 9 -8.552 -3.167 5.662
51 HA PRO 10 HA PRO 10 -12.872 6.087 5.275
52 HB2 PRO 10 1HB PRO 10 -11.697 8.123 6.634
53 HB3 PRO 10 2HB PRO 10 -13.198 7.354 7.164
54 HG2 PRO 10 1HG PRO 10 -10.396 6.895 8.113
55 HG3 PRO 10 2HG PRO 10 -11.889 7.038 9.060
56 HD2 PRO 10 1HD PRO 10 -10.757 4.648 8.477
57 HD3 PRO 10 2HD PRO 10 -12.512 4.859 8.641
58 H TYR 11 H TYR 11 -9.531 6.111 6.527
59 HA TYR 11 HA TYR 11 -8.453 7.627 4.406
60 HB2 TYR 11 1HB TYR 11 -6.965 5.633 6.120
61 HB3 TYR 11 2HB TYR 11 -6.294 7.025 5.277
62 HD1 TYR 11 HD1 TYR 11 -8.425 5.979 8.107
63 HD2 TYR 11 HD2 TYR 11 -6.356 9.198 6.247
64 HE1 TYR 11 HE1 TYR 11 -8.763 7.351 10.119
65 HE2 TYR 11 HE2 TYR 11 -6.688 10.579 8.255
66 HH TYR 11 HH TYR 11 -7.712 10.732 10.235
67 H VAL 12 H VAL 12 -8.994 6.849 2.406
68 HA VAL 12 HA VAL 12 -8.149 4.110 1.744
69 HB VAL 12 HB VAL 12 -10.036 5.949 0.264
70 HG11 VAL 12 1HG1 VAL 12 -10.258 3.272 -0.608
71 HG12 VAL 12 2HG1 VAL 12 -9.711 4.676 -1.526
72 HG13 VAL 12 3HG1 VAL 12 -8.545 3.691 -0.641
73 HG21 VAL 12 3HG2 VAL 12 -10.436 3.631 2.117
74 HG22 VAL 12 1HG2 VAL 12 -11.235 5.203 2.105
75 HG23 VAL 12 2HG2 VAL 12 -11.632 4.003 0.875
76 H CYS 13 H CYS 13 -6.576 3.742 0.288
77 HA CYS 13 HA CYS 13 -4.903 5.907 -0.524
78 HB2 CYS 13 1HB CYS 13 -4.281 3.432 0.017
79 HB3 CYS 13 2HB CYS 13 -4.693 3.141 -1.670
80 H ASN 14 H ASN 14 -4.820 6.984 -2.403
81 HA ASN 14 HA ASN 14 -6.879 6.425 -4.382
82 HB2 ASN 14 1HB ASN 14 -5.053 8.747 -3.839
83 HB3 ASN 14 2HB ASN 14 -5.875 8.608 -5.390
84 HD21 ASN 14 1HD2 ASN 14 -6.244 10.689 -3.525
85 HD22 ASN 14 2HD2 ASN 14 -7.883 10.630 -2.981
86 H GLU 15 H GLU 15 -3.870 5.311 -3.875
87 HA GLU 15 HA GLU 15 -2.993 5.420 -6.660
88 HB2 GLU 15 1HB GLU 15 -1.687 4.596 -4.086
89 HB3 GLU 15 2HB GLU 15 -1.010 4.089 -5.628
90 HG2 GLU 15 1HG GLU 15 0.155 6.031 -5.031
91 HG3 GLU 15 2HG GLU 15 -0.990 6.530 -6.276
92 H CYS 16 H CYS 16 -3.812 3.041 -4.158
93 HA CYS 16 HA CYS 16 -4.185 1.049 -6.299
94 HB2 CYS 16 1HB CYS 16 -3.638 -0.688 -4.627
95 HB3 CYS 16 2HB CYS 16 -2.300 0.425 -4.893
96 H GLY 17 H GLY 17 -5.375 2.353 -3.252
97 HA2 GLY 17 1HA GLY 17 -7.782 2.639 -3.023
98 HA3 GLY 17 2HA GLY 17 -7.981 1.097 -3.843
99 H LYS 18 H LYS 18 -5.485 1.424 -1.470
100 HA LYS 18 HA LYS 18 -6.759 -0.586 0.172
101 HB2 LYS 18 1HB LYS 18 -4.230 -0.346 -0.433
102 HB3 LYS 18 2HB LYS 18 -4.202 0.804 0.898
103 HG2 LYS 18 1HG LYS 18 -4.552 -0.805 2.482
104 HG3 LYS 18 2HG LYS 18 -5.401 -1.876 1.366
105 HD2 LYS 18 1HD LYS 18 -3.320 -2.452 0.277
106 HD3 LYS 18 2HD LYS 18 -2.441 -1.292 1.277
107 HE2 LYS 18 1HE LYS 18 -2.972 -2.573 3.269
108 HE3 LYS 18 2HE LYS 18 -3.935 -3.700 2.315
109 HZ1 LYS 18 3HZ LYS 18 -2.124 -4.831 1.759
110 HZ2 LYS 18 1HZ LYS 18 -1.268 -3.922 2.900
111 HZ3 LYS 18 2HZ LYS 18 -1.293 -3.437 1.280
112 H ALA 19 H ALA 19 -7.911 -0.226 1.952
113 HA ALA 19 HA ALA 19 -8.109 2.511 2.961
114 HB1 ALA 19 3HB ALA 19 -10.114 1.001 2.342
115 HB2 ALA 19 1HB ALA 19 -9.815 0.240 3.905
116 HB3 ALA 19 2HB ALA 19 -10.192 1.961 3.819
117 H PHE 20 H PHE 20 -7.635 3.101 5.038
118 HA PHE 20 HA PHE 20 -6.557 1.031 6.825
119 HB2 PHE 20 1HB PHE 20 -5.298 3.750 6.418
120 HB3 PHE 20 2HB PHE 20 -4.695 2.449 7.439
121 HD1 PHE 20 HD1 PHE 20 -5.454 3.298 3.904
122 HD2 PHE 20 HD2 PHE 20 -3.191 0.897 6.593
123 HE1 PHE 20 HE1 PHE 20 -4.127 2.442 2.018
124 HE2 PHE 20 HE2 PHE 20 -1.859 0.038 4.711
125 HZ PHE 20 HZ PHE 20 -2.326 0.811 2.420
126 H GLY 21 H GLY 21 -7.772 1.006 8.593
127 HA2 GLY 21 1HA GLY 21 -9.667 2.829 9.374
128 HA3 GLY 21 2HA GLY 21 -8.846 1.746 10.489
129 H LEU 22 H LEU 22 -6.255 3.155 9.647
130 HA LEU 22 HA LEU 22 -6.621 5.521 11.365
131 HB2 LEU 22 1HB LEU 22 -4.548 3.407 11.300
132 HB3 LEU 22 2HB LEU 22 -4.003 5.051 11.625
133 HG LEU 22 HG LEU 22 -6.048 3.523 13.236
134 HD11 LEU 22 1HD1 LEU 22 -3.283 3.275 13.237
135 HD12 LEU 22 2HD1 LEU 22 -4.394 2.752 14.502
136 HD13 LEU 22 3HD1 LEU 22 -3.635 4.341 14.597
137 HD21 LEU 22 3HD2 LEU 22 -5.466 5.507 14.831
138 HD22 LEU 22 1HD2 LEU 22 -6.665 5.716 13.555
139 HD23 LEU 22 2HD2 LEU 22 -5.025 6.325 13.331
140 H LYS 23 H LYS 23 -5.172 7.323 10.956
141 HA LYS 23 HA LYS 23 -4.977 7.903 8.164
142 HB2 LYS 23 1HB LYS 23 -5.504 9.575 9.977
143 HB3 LYS 23 2HB LYS 23 -3.813 9.492 10.454
144 HG2 LYS 23 1HG LYS 23 -3.118 10.354 8.318
145 HG3 LYS 23 2HG LYS 23 -4.778 10.308 7.720
146 HD2 LYS 23 1HD LYS 23 -5.392 11.916 9.533
147 HD3 LYS 23 2HD LYS 23 -3.675 12.050 9.922
148 HE2 LYS 23 1HE LYS 23 -3.873 13.820 8.500
149 HE3 LYS 23 2HE LYS 23 -3.502 12.555 7.330
150 HZ1 LYS 23 3HZ LYS 23 -5.355 13.225 6.319
151 HZ2 LYS 23 1HZ LYS 23 -5.908 14.087 7.665
152 HZ3 LYS 23 2HZ LYS 23 -6.198 12.425 7.548
153 H SER 24 H SER 24 -2.460 8.002 10.693
154 HA SER 24 HA SER 24 -0.243 8.180 9.111
155 HB2 SER 24 1HB SER 24 -0.753 6.954 11.782
156 HB3 SER 24 2HB SER 24 0.800 6.630 11.011
157 HG SER 24 HG SER 24 0.061 8.800 12.326
158 H GLN 25 H GLN 25 -2.067 5.265 9.905
159 HA GLN 25 HA GLN 25 -0.392 3.306 8.938
160 HB2 GLN 25 1HB GLN 25 -3.400 3.508 8.844
161 HB3 GLN 25 2HB GLN 25 -2.527 2.057 8.368
162 HG2 GLN 25 1HG GLN 25 -2.545 3.344 11.087
163 HG3 GLN 25 2HG GLN 25 -3.306 1.823 10.624
164 HE21 GLN 25 1HE2 GLN 25 -1.057 2.722 12.518
165 HE22 GLN 25 2HE2 GLN 25 0.200 1.577 12.209
166 H LEU 26 H LEU 26 -2.641 5.351 7.125
167 HA LEU 26 HA LEU 26 -2.074 4.096 4.612
168 HB2 LEU 26 1HB LEU 26 -4.207 5.108 4.884
169 HB3 LEU 26 2HB LEU 26 -3.486 6.641 5.372
170 HG LEU 26 HG LEU 26 -2.560 6.816 3.031
171 HD11 LEU 26 1HD1 LEU 26 -4.361 4.437 2.674
172 HD12 LEU 26 2HD1 LEU 26 -2.658 4.595 2.246
173 HD13 LEU 26 3HD1 LEU 26 -3.881 5.482 1.337
174 HD21 LEU 26 3HD2 LEU 26 -5.536 6.689 2.898
175 HD22 LEU 26 1HD2 LEU 26 -4.431 7.927 2.300
176 HD23 LEU 26 2HD2 LEU 26 -4.771 7.808 4.026
177 H ILE 27 H ILE 27 -0.972 6.989 6.297
178 HA ILE 27 HA ILE 27 0.421 8.242 4.248
179 HB ILE 27 HB ILE 27 1.366 8.130 7.110
180 HG12 ILE 27 1HG1 ILE 27 -0.813 9.810 5.857
181 HG13 ILE 27 2HG1 ILE 27 -0.988 8.652 7.171
182 HG21 ILE 27 1HG2 ILE 27 1.881 9.882 4.767
183 HG22 ILE 27 2HG2 ILE 27 1.849 10.621 6.367
184 HG23 ILE 27 3HG2 ILE 27 2.984 9.316 6.022
185 HD11 ILE 27 3HD1 ILE 27 0.699 10.203 8.396
186 HD12 ILE 27 1HD1 ILE 27 0.176 11.393 7.204
187 HD13 ILE 27 2HD1 ILE 27 -1.003 10.654 8.289
188 H ILE 28 H ILE 28 1.484 5.674 6.445
189 HA ILE 28 HA ILE 28 4.150 5.569 5.462
190 HB ILE 28 HB ILE 28 2.587 3.423 6.902
191 HG12 ILE 28 1HG1 ILE 28 4.620 5.165 8.226
192 HG13 ILE 28 2HG1 ILE 28 3.015 5.825 7.936
193 HG21 ILE 28 1HG2 ILE 28 5.568 3.729 6.884
194 HG22 ILE 28 2HG2 ILE 28 4.598 2.319 7.309
195 HG23 ILE 28 3HG2 ILE 28 4.734 2.819 5.624
196 HD11 ILE 28 3HD1 ILE 28 3.269 4.862 10.178
197 HD12 ILE 28 1HD1 ILE 28 2.014 4.060 9.234
198 HD13 ILE 28 2HD1 ILE 28 3.585 3.288 9.447
199 H HIS 29 H HIS 29 1.149 4.012 4.555
200 HA HIS 29 HA HIS 29 2.314 2.024 2.881
201 HB2 HIS 29 1HB HIS 29 0.103 1.633 3.699
202 HB3 HIS 29 2HB HIS 29 -0.476 3.166 3.054
203 HD1 HIS 29 HD1 HIS 29 0.677 -0.240 1.886
204 HD2 HIS 29 HD2 HIS 29 -1.426 3.058 0.486
205 HE1 HIS 29 HE1 HIS 29 -0.275 -0.942 -0.333
206 H GLU 30 H GLU 30 0.709 5.128 2.190
207 HA GLU 30 HA GLU 30 0.906 5.145 -0.556
208 HB2 GLU 30 1HB GLU 30 1.246 7.495 1.317
209 HB3 GLU 30 2HB GLU 30 0.895 7.610 -0.402
210 HG2 GLU 30 1HG GLU 30 -1.253 6.669 -0.124
211 HG3 GLU 30 2HG GLU 30 -0.897 6.169 1.528
212 H ARG 31 H ARG 31 3.433 5.260 1.733
213 HA ARG 31 HA ARG 31 5.394 6.714 0.371
214 HB2 ARG 31 1HB ARG 31 5.710 4.338 2.215
215 HB3 ARG 31 2HB ARG 31 7.017 5.402 1.715
216 HG2 ARG 31 1HG ARG 31 6.023 7.262 2.851
217 HG3 ARG 31 2HG ARG 31 4.577 6.318 3.217
218 HD2 ARG 31 1HD ARG 31 5.979 6.435 5.177
219 HD3 ARG 31 2HD ARG 31 5.960 4.782 4.565
220 HE ARG 31 HE ARG 31 8.201 4.960 4.079
221 HH11 ARG 31 1HH1 ARG 31 6.909 8.102 4.841
222 HH12 ARG 31 2HH1 ARG 31 8.463 8.865 4.921
223 HH21 ARG 31 1HH2 ARG 31 10.252 5.953 4.182
224 HH22 ARG 31 2HH2 ARG 31 10.363 7.642 4.545
225 H ILE 32 H ILE 32 4.196 3.478 -0.098
226 HA ILE 32 HA ILE 32 6.332 2.435 -1.610
227 HB ILE 32 HB ILE 32 4.864 0.701 -2.300
228 HG12 ILE 32 1HG1 ILE 32 2.523 2.386 -1.393
229 HG13 ILE 32 2HG1 ILE 32 3.041 2.252 -3.070
230 HG21 ILE 32 1HG2 ILE 32 4.871 1.631 0.432
231 HG22 ILE 32 2HG2 ILE 32 3.415 0.704 0.075
232 HG23 ILE 32 3HG2 ILE 32 5.003 -0.011 -0.198
233 HD11 ILE 32 3HD1 ILE 32 2.172 -0.068 -1.365
234 HD12 ILE 32 1HD1 ILE 32 1.134 0.796 -2.498
235 HD13 ILE 32 2HD1 ILE 32 2.538 -0.092 -3.090
236 H HIS 33 H HIS 33 3.603 4.460 -2.455
237 HA HIS 33 HA HIS 33 4.130 4.236 -5.300
238 HB2 HIS 33 1HB HIS 33 2.185 6.052 -3.863
239 HB3 HIS 33 2HB HIS 33 2.210 5.693 -5.587
240 HD1 HIS 33 HD1 HIS 33 2.070 2.844 -5.923
241 HD2 HIS 33 HD2 HIS 33 0.239 4.642 -2.655
242 HE1 HIS 33 HE1 HIS 33 0.334 1.202 -5.137
243 H THR 34 H THR 34 4.392 6.672 -2.743
244 HA THR 34 HA THR 34 5.118 8.902 -4.137
245 HB THR 34 HB THR 34 6.340 9.665 -2.205
246 HG1 THR 34 HG1 THR 34 6.447 6.901 -1.570
247 HG21 THR 34 3HG2 THR 34 4.384 8.019 -0.754
248 HG22 THR 34 1HG2 THR 34 3.734 8.884 -2.146
249 HG23 THR 34 2HG2 THR 34 4.539 9.773 -0.853
250 H GLY 35 H GLY 35 7.272 6.246 -3.155
251 HA2 GLY 35 1HA GLY 35 9.520 5.913 -3.671
252 HA3 GLY 35 2HA GLY 35 8.842 5.959 -5.291
253 H GLU 36 H GLU 36 9.892 7.261 -6.621
254 HA GLU 36 HA GLU 36 10.448 9.971 -6.026
255 HB2 GLU 36 1HB GLU 36 12.263 8.690 -4.735
256 HB3 GLU 36 2HB GLU 36 12.940 8.306 -6.312
257 HG2 GLU 36 1HG GLU 36 12.838 10.871 -6.691
258 HG3 GLU 36 2HG GLU 36 12.735 10.944 -4.933
259 H SER 37 H SER 37 10.469 11.053 -7.889
260 HA SER 37 HA SER 37 9.866 10.139 -10.321
261 HB2 SER 37 1HB SER 37 10.925 12.107 -11.311
262 HB3 SER 37 2HB SER 37 10.156 12.537 -9.784
263 HG SER 37 HG SER 37 12.814 12.557 -10.489
264 H GLY 38 H GLY 38 10.658 8.637 -11.627
265 HA2 GLY 38 1HA GLY 38 13.510 8.536 -12.177
266 HA3 GLY 38 2HA GLY 38 12.840 7.106 -11.407
267 HA PRO 39 HA PRO 39 12.227 7.207 -16.150
268 HB2 PRO 39 1HB PRO 39 14.305 5.628 -16.897
269 HB3 PRO 39 2HB PRO 39 14.424 7.388 -16.799
270 HG2 PRO 39 1HG PRO 39 15.314 5.318 -14.829
271 HG3 PRO 39 2HG PRO 39 16.152 6.785 -15.365
272 HD2 PRO 39 1HD PRO 39 14.811 6.649 -13.017
273 HD3 PRO 39 2HD PRO 39 14.930 8.147 -13.963
274 H SER 40 H SER 40 10.762 5.754 -16.763
275 HA SER 40 HA SER 40 10.792 3.102 -15.501
276 HB2 SER 40 1HB SER 40 8.533 4.507 -16.948
277 HB3 SER 40 2HB SER 40 8.422 2.966 -16.098
278 HG SER 40 HG SER 40 7.769 5.006 -14.960
279 H SER 41 H SER 41 9.962 1.291 -16.881
280 HA SER 41 HA SER 41 10.825 1.582 -19.681
281 HB2 SER 41 1HB SER 41 12.503 0.398 -18.134
282 HB3 SER 41 2HB SER 41 11.334 -0.922 -18.079
283 HG SER 41 HG SER 41 11.499 -0.512 -20.565
284 H GLY 42 H GLY 42 8.622 1.763 -20.277
285 HA2 GLY 42 1HA GLY 42 6.842 0.700 -21.348
286 HA3 GLY 42 2HA GLY 42 7.335 -0.817 -20.612
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -24.798 -18.421 9.808
2 HA2 GLY 1 1HA GLY 1 -21.941 -17.774 9.498
3 HA3 GLY 1 2HA GLY 1 -23.102 -17.200 8.310
4 H SER 2 H SER 2 -21.893 -16.846 11.555
5 HA SER 2 HA SER 2 -23.307 -14.273 11.736
6 HB2 SER 2 1HB SER 2 -23.057 -16.407 13.849
7 HB3 SER 2 2HB SER 2 -23.366 -14.723 14.269
8 HG SER 2 HG SER 2 -25.010 -16.576 12.990
9 H SER 3 H SER 3 -21.344 -13.341 10.950
10 HA SER 3 HA SER 3 -19.129 -13.369 12.891
11 HB2 SER 3 1HB SER 3 -19.207 -13.009 9.912
12 HB3 SER 3 2HB SER 3 -17.871 -12.336 10.846
13 HG SER 3 HG SER 3 -17.199 -14.342 10.363
14 H GLY 4 H GLY 4 -18.924 -11.621 14.112
15 HA2 GLY 4 1HA GLY 4 -20.415 -9.222 13.514
16 HA3 GLY 4 2HA GLY 4 -19.420 -9.508 14.934
17 H SER 5 H SER 5 -18.636 -9.556 11.465
18 HA SER 5 HA SER 5 -16.155 -8.262 11.827
19 HB2 SER 5 1HB SER 5 -17.842 -8.989 9.469
20 HB3 SER 5 2HB SER 5 -16.506 -7.862 9.233
21 HG SER 5 HG SER 5 -15.226 -9.512 9.279
22 H SER 6 H SER 6 -16.421 -6.346 12.950
23 HA SER 6 HA SER 6 -17.971 -4.239 11.601
24 HB2 SER 6 1HB SER 6 -18.313 -4.976 14.125
25 HB3 SER 6 2HB SER 6 -16.945 -3.895 14.387
26 HG SER 6 HG SER 6 -19.241 -3.036 14.415
27 H GLY 7 H GLY 7 -17.017 -1.975 12.040
28 HA2 GLY 7 1HA GLY 7 -14.866 -0.813 12.497
29 HA3 GLY 7 2HA GLY 7 -14.099 -2.107 11.589
30 H GLN 8 H GLN 8 -13.842 0.664 11.026
31 HA GLN 8 HA GLN 8 -14.805 0.646 8.275
32 HB2 GLN 8 1HB GLN 8 -15.581 2.989 8.438
33 HB3 GLN 8 2HB GLN 8 -16.532 1.892 9.431
34 HG2 GLN 8 1HG GLN 8 -15.357 2.618 11.416
35 HG3 GLN 8 2HG GLN 8 -14.316 3.658 10.445
36 HE21 GLN 8 1HE2 GLN 8 -15.469 4.941 12.366
37 HE22 GLN 8 2HE2 GLN 8 -16.827 5.872 11.842
38 H LYS 9 H LYS 9 -13.393 1.526 6.855
39 HA LYS 9 HA LYS 9 -11.012 2.849 7.982
40 HB2 LYS 9 1HB LYS 9 -11.181 1.030 5.573
41 HB3 LYS 9 2HB LYS 9 -9.732 1.872 6.105
42 HG2 LYS 9 1HG LYS 9 -9.998 0.635 8.304
43 HG3 LYS 9 2HG LYS 9 -11.191 -0.366 7.472
44 HD2 LYS 9 1HD LYS 9 -9.317 -0.663 5.695
45 HD3 LYS 9 2HD LYS 9 -8.244 -0.134 6.993
46 HE2 LYS 9 1HE LYS 9 -9.423 -1.945 8.401
47 HE3 LYS 9 2HE LYS 9 -9.975 -2.579 6.851
48 HZ1 LYS 9 3HZ LYS 9 -7.224 -2.060 6.683
49 HZ2 LYS 9 1HZ LYS 9 -8.021 -3.549 6.583
50 HZ3 LYS 9 2HZ LYS 9 -7.502 -2.966 8.084
51 HA PRO 10 HA PRO 10 -12.879 6.017 5.290
52 HB2 PRO 10 1HB PRO 10 -11.763 8.100 6.627
53 HB3 PRO 10 2HB PRO 10 -13.251 7.305 7.156
54 HG2 PRO 10 1HG PRO 10 -10.448 6.926 8.137
55 HG3 PRO 10 2HG PRO 10 -11.952 7.050 9.068
56 HD2 PRO 10 1HD PRO 10 -10.761 4.678 8.533
57 HD3 PRO 10 2HD PRO 10 -12.521 4.850 8.678
58 H TYR 11 H TYR 11 -9.545 6.061 6.550
59 HA TYR 11 HA TYR 11 -8.471 7.606 4.445
60 HB2 TYR 11 1HB TYR 11 -6.977 5.610 6.152
61 HB3 TYR 11 2HB TYR 11 -6.310 7.009 5.317
62 HD1 TYR 11 HD1 TYR 11 -8.483 5.957 8.119
63 HD2 TYR 11 HD2 TYR 11 -6.346 9.162 6.313
64 HE1 TYR 11 HE1 TYR 11 -8.833 7.319 10.136
65 HE2 TYR 11 HE2 TYR 11 -6.689 10.533 8.326
66 HH TYR 11 HH TYR 11 -8.899 10.035 10.534
67 H VAL 12 H VAL 12 -9.007 6.834 2.440
68 HA VAL 12 HA VAL 12 -8.142 4.105 1.763
69 HB VAL 12 HB VAL 12 -10.043 5.943 0.302
70 HG11 VAL 12 1HG1 VAL 12 -8.592 4.369 -1.096
71 HG12 VAL 12 2HG1 VAL 12 -9.518 3.061 -0.356
72 HG13 VAL 12 3HG1 VAL 12 -10.339 4.285 -1.326
73 HG21 VAL 12 3HG2 VAL 12 -10.815 4.859 2.458
74 HG22 VAL 12 1HG2 VAL 12 -11.790 4.527 1.026
75 HG23 VAL 12 2HG2 VAL 12 -10.660 3.312 1.625
76 H CYS 13 H CYS 13 -6.558 3.755 0.317
77 HA CYS 13 HA CYS 13 -4.887 5.924 -0.473
78 HB2 CYS 13 1HB CYS 13 -4.268 3.443 0.031
79 HB3 CYS 13 2HB CYS 13 -4.690 3.173 -1.657
80 H ASN 14 H ASN 14 -4.626 6.895 -2.431
81 HA ASN 14 HA ASN 14 -6.758 6.452 -4.378
82 HB2 ASN 14 1HB ASN 14 -5.884 8.761 -3.373
83 HB3 ASN 14 2HB ASN 14 -4.756 8.633 -4.719
84 HD21 ASN 14 1HD2 ASN 14 -7.898 9.432 -3.746
85 HD22 ASN 14 2HD2 ASN 14 -8.564 9.740 -5.310
86 H GLU 15 H GLU 15 -3.661 5.406 -3.867
87 HA GLU 15 HA GLU 15 -2.821 5.428 -6.648
88 HB2 GLU 15 1HB GLU 15 -1.565 4.564 -4.067
89 HB3 GLU 15 2HB GLU 15 -0.903 3.999 -5.595
90 HG2 GLU 15 1HG GLU 15 0.158 6.057 -4.591
91 HG3 GLU 15 2HG GLU 15 -0.336 6.168 -6.279
92 H CYS 16 H CYS 16 -3.743 3.057 -4.176
93 HA CYS 16 HA CYS 16 -4.167 1.099 -6.338
94 HB2 CYS 16 1HB CYS 16 -3.728 -0.665 -4.631
95 HB3 CYS 16 2HB CYS 16 -2.331 0.355 -4.958
96 H GLY 17 H GLY 17 -5.301 2.302 -3.211
97 HA2 GLY 17 1HA GLY 17 -7.712 2.709 -3.018
98 HA3 GLY 17 2HA GLY 17 -7.958 1.190 -3.867
99 H LYS 18 H LYS 18 -5.494 1.470 -1.433
100 HA LYS 18 HA LYS 18 -6.836 -0.552 0.154
101 HB2 LYS 18 1HB LYS 18 -4.261 -0.278 -0.441
102 HB3 LYS 18 2HB LYS 18 -4.272 0.697 1.022
103 HG2 LYS 18 1HG LYS 18 -5.003 -1.142 2.340
104 HG3 LYS 18 2HG LYS 18 -5.309 -2.123 0.905
105 HD2 LYS 18 1HD LYS 18 -2.870 -1.987 0.385
106 HD3 LYS 18 2HD LYS 18 -2.635 -1.182 1.938
107 HE2 LYS 18 1HE LYS 18 -3.277 -3.095 3.145
108 HE3 LYS 18 2HE LYS 18 -3.991 -3.854 1.723
109 HZ1 LYS 18 3HZ LYS 18 -1.091 -3.292 1.977
110 HZ2 LYS 18 1HZ LYS 18 -1.859 -4.253 0.815
111 HZ3 LYS 18 2HZ LYS 18 -1.792 -4.765 2.426
112 H ALA 19 H ALA 19 -7.958 -0.192 1.958
113 HA ALA 19 HA ALA 19 -8.103 2.541 2.982
114 HB1 ALA 19 3HB ALA 19 -10.232 2.110 3.554
115 HB2 ALA 19 1HB ALA 19 -10.065 0.749 2.444
116 HB3 ALA 19 2HB ALA 19 -9.849 0.505 4.178
117 H PHE 20 H PHE 20 -7.667 3.104 5.090
118 HA PHE 20 HA PHE 20 -6.575 1.019 6.847
119 HB2 PHE 20 1HB PHE 20 -5.282 3.721 6.435
120 HB3 PHE 20 2HB PHE 20 -4.691 2.413 7.454
121 HD1 PHE 20 HD1 PHE 20 -5.448 3.280 3.924
122 HD2 PHE 20 HD2 PHE 20 -3.223 0.829 6.600
123 HE1 PHE 20 HE1 PHE 20 -4.142 2.404 2.032
124 HE2 PHE 20 HE2 PHE 20 -1.914 -0.051 4.712
125 HZ PHE 20 HZ PHE 20 -2.372 0.737 2.424
126 H GLY 21 H GLY 21 -7.772 1.005 8.627
127 HA2 GLY 21 1HA GLY 21 -9.634 2.861 9.426
128 HA3 GLY 21 2HA GLY 21 -8.833 1.750 10.528
129 H LEU 22 H LEU 22 -6.226 3.145 9.639
130 HA LEU 22 HA LEU 22 -6.530 5.491 11.397
131 HB2 LEU 22 1HB LEU 22 -4.500 3.336 11.304
132 HB3 LEU 22 2HB LEU 22 -3.921 4.967 11.638
133 HG LEU 22 HG LEU 22 -5.960 3.435 13.252
134 HD11 LEU 22 1HD1 LEU 22 -3.529 2.732 13.385
135 HD12 LEU 22 2HD1 LEU 22 -4.300 3.193 14.903
136 HD13 LEU 22 3HD1 LEU 22 -3.212 4.318 14.089
137 HD21 LEU 22 3HD2 LEU 22 -5.386 5.445 14.838
138 HD22 LEU 22 1HD2 LEU 22 -6.626 5.602 13.594
139 HD23 LEU 22 2HD2 LEU 22 -5.012 6.260 13.318
140 H LYS 23 H LYS 23 -5.168 7.307 10.956
141 HA LYS 23 HA LYS 23 -4.932 7.877 8.177
142 HB2 LYS 23 1HB LYS 23 -5.454 9.557 9.973
143 HB3 LYS 23 2HB LYS 23 -3.774 9.450 10.483
144 HG2 LYS 23 1HG LYS 23 -3.038 10.274 8.325
145 HG3 LYS 23 2HG LYS 23 -4.708 10.319 7.754
146 HD2 LYS 23 1HD LYS 23 -5.250 11.972 9.479
147 HD3 LYS 23 2HD LYS 23 -3.580 11.925 10.049
148 HE2 LYS 23 1HE LYS 23 -4.079 12.511 7.175
149 HE3 LYS 23 2HE LYS 23 -4.422 13.774 8.356
150 HZ1 LYS 23 3HZ LYS 23 -2.259 14.121 8.723
151 HZ2 LYS 23 1HZ LYS 23 -2.010 13.310 7.258
152 HZ3 LYS 23 2HZ LYS 23 -1.874 12.473 8.721
153 H SER 24 H SER 24 -2.408 7.981 10.699
154 HA SER 24 HA SER 24 -0.193 8.144 9.123
155 HB2 SER 24 1HB SER 24 -0.710 6.901 11.784
156 HB3 SER 24 2HB SER 24 0.840 6.573 11.011
157 HG SER 24 HG SER 24 1.432 8.576 11.336
158 H GLN 25 H GLN 25 -2.047 5.241 9.876
159 HA GLN 25 HA GLN 25 -0.369 3.284 8.887
160 HB2 GLN 25 1HB GLN 25 -3.376 3.491 8.864
161 HB3 GLN 25 2HB GLN 25 -2.526 2.051 8.321
162 HG2 GLN 25 1HG GLN 25 -2.464 3.258 11.075
163 HG3 GLN 25 2HG GLN 25 -3.235 1.749 10.589
164 HE21 GLN 25 1HE2 GLN 25 -0.885 2.672 12.399
165 HE22 GLN 25 2HE2 GLN 25 0.345 1.512 12.042
166 H LEU 26 H LEU 26 -2.642 5.344 7.124
167 HA LEU 26 HA LEU 26 -2.111 4.108 4.593
168 HB2 LEU 26 1HB LEU 26 -4.242 5.118 4.912
169 HB3 LEU 26 2HB LEU 26 -3.512 6.650 5.386
170 HG LEU 26 HG LEU 26 -2.607 6.771 3.008
171 HD11 LEU 26 1HD1 LEU 26 -4.798 4.805 2.417
172 HD12 LEU 26 2HD1 LEU 26 -3.115 4.313 2.601
173 HD13 LEU 26 3HD1 LEU 26 -3.568 5.446 1.327
174 HD21 LEU 26 3HD2 LEU 26 -4.366 8.078 2.452
175 HD22 LEU 26 1HD2 LEU 26 -4.824 7.780 4.129
176 HD23 LEU 26 2HD2 LEU 26 -5.555 6.831 2.834
177 H ILE 27 H ILE 27 -1.042 7.043 6.245
178 HA ILE 27 HA ILE 27 0.342 8.279 4.188
179 HB ILE 27 HB ILE 27 1.337 8.210 7.031
180 HG12 ILE 27 1HG1 ILE 27 -0.988 9.718 5.836
181 HG13 ILE 27 2HG1 ILE 27 -0.992 8.661 7.243
182 HG21 ILE 27 1HG2 ILE 27 1.380 10.766 5.732
183 HG22 ILE 27 2HG2 ILE 27 2.718 9.822 6.383
184 HG23 ILE 27 3HG2 ILE 27 2.183 9.563 4.723
185 HD11 ILE 27 3HD1 ILE 27 -1.077 10.747 8.197
186 HD12 ILE 27 1HD1 ILE 27 0.653 10.406 8.229
187 HD13 ILE 27 2HD1 ILE 27 -0.015 11.463 6.985
188 H ILE 28 H ILE 28 1.430 5.732 6.394
189 HA ILE 28 HA ILE 28 4.095 5.648 5.395
190 HB ILE 28 HB ILE 28 2.581 3.494 6.875
191 HG12 ILE 28 1HG1 ILE 28 4.556 5.315 8.180
192 HG13 ILE 28 2HG1 ILE 28 2.933 5.923 7.875
193 HG21 ILE 28 1HG2 ILE 28 4.820 3.045 5.587
194 HG22 ILE 28 2HG2 ILE 28 5.536 3.847 6.984
195 HG23 ILE 28 3HG2 ILE 28 4.566 2.391 7.205
196 HD11 ILE 28 3HD1 ILE 28 3.311 4.947 10.144
197 HD12 ILE 28 1HD1 ILE 28 1.963 4.252 9.245
198 HD13 ILE 28 2HD1 ILE 28 3.489 3.375 9.364
199 H HIS 29 H HIS 29 1.106 4.009 4.572
200 HA HIS 29 HA HIS 29 2.265 2.010 2.921
201 HB2 HIS 29 1HB HIS 29 0.071 1.590 3.719
202 HB3 HIS 29 2HB HIS 29 -0.521 3.143 3.137
203 HD1 HIS 29 HD1 HIS 29 0.484 -0.268 1.898
204 HD2 HIS 29 HD2 HIS 29 -1.413 3.165 0.525
205 HE1 HIS 29 HE1 HIS 29 -0.491 -0.886 -0.337
206 H GLU 30 H GLU 30 0.653 5.096 2.168
207 HA GLU 30 HA GLU 30 0.846 5.051 -0.580
208 HB2 GLU 30 1HB GLU 30 1.182 7.451 1.228
209 HB3 GLU 30 2HB GLU 30 0.803 7.512 -0.487
210 HG2 GLU 30 1HG GLU 30 -1.334 6.576 -0.150
211 HG3 GLU 30 2HG GLU 30 -0.946 6.102 1.503
212 H ARG 31 H ARG 31 3.367 5.320 1.730
213 HA ARG 31 HA ARG 31 5.314 6.721 0.307
214 HB2 ARG 31 1HB ARG 31 5.656 4.433 2.253
215 HB3 ARG 31 2HB ARG 31 6.950 5.493 1.711
216 HG2 ARG 31 1HG ARG 31 5.736 7.412 2.684
217 HG3 ARG 31 2HG ARG 31 4.523 6.289 3.304
218 HD2 ARG 31 1HD ARG 31 6.125 6.840 5.040
219 HD3 ARG 31 2HD ARG 31 6.267 5.140 4.593
220 HE ARG 31 HE ARG 31 8.141 6.253 3.051
221 HH11 ARG 31 1HH1 ARG 31 7.414 6.654 6.432
222 HH12 ARG 31 2HH1 ARG 31 9.053 6.995 6.878
223 HH21 ARG 31 1HH2 ARG 31 10.302 6.701 3.625
224 HH22 ARG 31 2HH2 ARG 31 10.695 7.023 5.280
225 H ILE 32 H ILE 32 4.095 3.505 -0.100
226 HA ILE 32 HA ILE 32 6.257 2.370 -1.507
227 HB ILE 32 HB ILE 32 4.786 0.642 -2.178
228 HG12 ILE 32 1HG1 ILE 32 2.453 2.439 -1.485
229 HG13 ILE 32 2HG1 ILE 32 3.040 2.164 -3.121
230 HG21 ILE 32 1HG2 ILE 32 4.876 0.069 -0.022
231 HG22 ILE 32 2HG2 ILE 32 4.586 1.721 0.517
232 HG23 ILE 32 3HG2 ILE 32 3.227 0.684 0.086
233 HD11 ILE 32 3HD1 ILE 32 2.668 -0.378 -2.266
234 HD12 ILE 32 1HD1 ILE 32 1.389 0.472 -1.400
235 HD13 ILE 32 2HD1 ILE 32 1.478 0.568 -3.159
236 H HIS 33 H HIS 33 3.734 4.560 -2.453
237 HA HIS 33 HA HIS 33 4.333 4.214 -5.289
238 HB2 HIS 33 1HB HIS 33 2.345 6.111 -4.033
239 HB3 HIS 33 2HB HIS 33 2.420 5.603 -5.718
240 HD1 HIS 33 HD1 HIS 33 2.080 2.844 -5.974
241 HD2 HIS 33 HD2 HIS 33 0.524 4.719 -2.609
242 HE1 HIS 33 HE1 HIS 33 0.347 1.265 -5.066
243 H THR 34 H THR 34 4.403 6.741 -2.798
244 HA THR 34 HA THR 34 5.185 8.952 -4.105
245 HB THR 34 HB THR 34 6.471 9.651 -2.183
246 HG1 THR 34 HG1 THR 34 6.490 6.876 -1.543
247 HG21 THR 34 3HG2 THR 34 4.344 7.880 -1.025
248 HG22 THR 34 1HG2 THR 34 3.921 9.251 -2.049
249 HG23 THR 34 2HG2 THR 34 4.810 9.512 -0.548
250 H GLY 35 H GLY 35 7.233 6.145 -3.478
251 HA2 GLY 35 1HA GLY 35 9.583 7.377 -4.602
252 HA3 GLY 35 2HA GLY 35 9.416 5.697 -4.112
253 H GLU 36 H GLU 36 7.328 4.838 -5.660
254 HA GLU 36 HA GLU 36 8.605 4.370 -8.139
255 HB2 GLU 36 1HB GLU 36 5.894 3.743 -7.024
256 HB3 GLU 36 2HB GLU 36 6.230 3.455 -8.725
257 HG2 GLU 36 1HG GLU 36 8.194 2.074 -8.002
258 HG3 GLU 36 2HG GLU 36 7.594 2.220 -6.351
259 H SER 37 H SER 37 8.404 5.311 -10.091
260 HA SER 37 HA SER 37 6.414 7.463 -10.382
261 HB2 SER 37 1HB SER 37 8.058 8.791 -11.612
262 HB3 SER 37 2HB SER 37 8.667 8.411 -10.001
263 HG SER 37 HG SER 37 9.291 6.831 -12.262
264 H GLY 38 H GLY 38 6.027 4.812 -11.226
265 HA2 GLY 38 1HA GLY 38 6.745 4.298 -13.888
266 HA3 GLY 38 2HA GLY 38 5.350 3.617 -13.064
267 HA PRO 39 HA PRO 39 3.526 6.042 -16.454
268 HB2 PRO 39 1HB PRO 39 1.291 4.511 -16.620
269 HB3 PRO 39 2HB PRO 39 2.814 4.075 -17.404
270 HG2 PRO 39 1HG PRO 39 1.664 3.091 -14.821
271 HG3 PRO 39 2HG PRO 39 2.466 2.175 -16.110
272 HD2 PRO 39 1HD PRO 39 3.735 2.899 -13.831
273 HD3 PRO 39 2HD PRO 39 4.574 2.765 -15.390
274 H SER 40 H SER 40 1.273 6.994 -16.636
275 HA SER 40 HA SER 40 -0.147 7.334 -14.130
276 HB2 SER 40 1HB SER 40 0.061 9.759 -14.082
277 HB3 SER 40 2HB SER 40 1.667 9.032 -14.032
278 HG SER 40 HG SER 40 1.329 9.325 -16.519
279 H SER 41 H SER 41 -2.028 8.932 -14.480
280 HA SER 41 HA SER 41 -3.230 8.289 -17.081
281 HB2 SER 41 1HB SER 41 -4.534 7.456 -15.240
282 HB3 SER 41 2HB SER 41 -4.473 9.017 -14.421
283 HG SER 41 HG SER 41 -6.250 9.426 -15.450
284 H GLY 42 H GLY 42 -2.380 9.965 -18.318
285 HA2 GLY 42 1HA GLY 42 -2.435 12.045 -19.291
286 HA3 GLY 42 2HA GLY 42 -3.840 12.389 -18.292
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -8.587 -13.101 2.299
2 HA2 GLY 1 1HA GLY 1 -7.993 -11.579 0.506
3 HA3 GLY 1 2HA GLY 1 -9.002 -10.364 1.278
4 H SER 2 H SER 2 -8.231 -10.210 3.792
5 HA SER 2 HA SER 2 -5.324 -10.119 3.938
6 HB2 SER 2 1HB SER 2 -7.043 -7.648 4.266
7 HB3 SER 2 2HB SER 2 -5.320 -7.741 4.630
8 HG SER 2 HG SER 2 -4.889 -8.051 2.480
9 H SER 3 H SER 3 -4.706 -10.823 5.865
10 HA SER 3 HA SER 3 -6.467 -11.550 7.898
11 HB2 SER 3 1HB SER 3 -3.957 -12.209 7.433
12 HB3 SER 3 2HB SER 3 -3.621 -10.893 8.558
13 HG SER 3 HG SER 3 -3.951 -12.396 9.998
14 H GLY 4 H GLY 4 -6.206 -10.751 10.237
15 HA2 GLY 4 1HA GLY 4 -5.862 -8.895 11.716
16 HA3 GLY 4 2HA GLY 4 -5.960 -7.820 10.329
17 H SER 5 H SER 5 -7.558 -6.507 11.147
18 HA SER 5 HA SER 5 -10.191 -7.785 11.496
19 HB2 SER 5 1HB SER 5 -10.774 -6.095 13.121
20 HB3 SER 5 2HB SER 5 -9.242 -6.822 13.604
21 HG SER 5 HG SER 5 -9.751 -4.273 12.543
22 H SER 6 H SER 6 -12.033 -6.538 10.821
23 HA SER 6 HA SER 6 -11.372 -4.620 8.684
24 HB2 SER 6 1HB SER 6 -13.273 -5.389 7.455
25 HB3 SER 6 2HB SER 6 -12.408 -6.829 7.994
26 HG SER 6 HG SER 6 -14.187 -6.096 9.860
27 H GLY 7 H GLY 7 -13.391 -3.206 8.151
28 HA2 GLY 7 1HA GLY 7 -15.386 -2.523 9.866
29 HA3 GLY 7 2HA GLY 7 -13.977 -1.729 10.555
30 H GLN 8 H GLN 8 -14.955 0.308 10.175
31 HA GLN 8 HA GLN 8 -15.327 1.081 7.380
32 HB2 GLN 8 1HB GLN 8 -16.140 3.255 8.480
33 HB3 GLN 8 2HB GLN 8 -17.139 1.819 8.668
34 HG2 GLN 8 1HG GLN 8 -16.273 1.470 10.899
35 HG3 GLN 8 2HG GLN 8 -15.186 2.845 10.715
36 HE21 GLN 8 1HE2 GLN 8 -16.144 4.954 10.467
37 HE22 GLN 8 2HE2 GLN 8 -17.676 5.287 11.192
38 H LYS 9 H LYS 9 -13.210 1.230 6.654
39 HA LYS 9 HA LYS 9 -11.372 3.010 8.052
40 HB2 LYS 9 1HB LYS 9 -11.000 1.294 5.590
41 HB3 LYS 9 2HB LYS 9 -9.736 2.264 6.336
42 HG2 LYS 9 1HG LYS 9 -9.890 0.941 8.367
43 HG3 LYS 9 2HG LYS 9 -11.202 -0.008 7.664
44 HD2 LYS 9 1HD LYS 9 -9.478 -0.462 5.761
45 HD3 LYS 9 2HD LYS 9 -8.291 0.010 6.979
46 HE2 LYS 9 1HE LYS 9 -9.676 -1.696 8.456
47 HE3 LYS 9 2HE LYS 9 -10.079 -2.365 6.875
48 HZ1 LYS 9 3HZ LYS 9 -8.067 -3.252 6.694
49 HZ2 LYS 9 1HZ LYS 9 -7.814 -2.871 8.323
50 HZ3 LYS 9 2HZ LYS 9 -7.292 -1.809 7.114
51 HA PRO 10 HA PRO 10 -12.917 6.276 5.363
52 HB2 PRO 10 1HB PRO 10 -11.675 8.278 6.711
53 HB3 PRO 10 2HB PRO 10 -13.188 7.547 7.257
54 HG2 PRO 10 1HG PRO 10 -10.389 7.014 8.174
55 HG3 PRO 10 2HG PRO 10 -11.867 7.195 9.138
56 HD2 PRO 10 1HD PRO 10 -10.804 4.777 8.539
57 HD3 PRO 10 2HD PRO 10 -12.551 5.034 8.723
58 H TYR 11 H TYR 11 -9.561 6.089 6.540
59 HA TYR 11 HA TYR 11 -8.466 7.618 4.416
60 HB2 TYR 11 1HB TYR 11 -7.014 5.588 6.118
61 HB3 TYR 11 2HB TYR 11 -6.316 6.959 5.264
62 HD1 TYR 11 HD1 TYR 11 -8.407 5.963 8.135
63 HD2 TYR 11 HD2 TYR 11 -6.339 9.149 6.217
64 HE1 TYR 11 HE1 TYR 11 -8.683 7.347 10.149
65 HE2 TYR 11 HE2 TYR 11 -6.609 10.541 8.226
66 HH TYR 11 HH TYR 11 -8.636 9.572 10.875
67 H VAL 12 H VAL 12 -8.836 6.928 2.386
68 HA VAL 12 HA VAL 12 -8.131 4.140 1.736
69 HB VAL 12 HB VAL 12 -10.007 5.987 0.252
70 HG11 VAL 12 1HG1 VAL 12 -9.709 3.062 -0.286
71 HG12 VAL 12 2HG1 VAL 12 -10.323 4.339 -1.337
72 HG13 VAL 12 3HG1 VAL 12 -8.593 4.213 -1.019
73 HG21 VAL 12 3HG2 VAL 12 -10.512 3.599 2.019
74 HG22 VAL 12 1HG2 VAL 12 -11.048 5.260 2.274
75 HG23 VAL 12 2HG2 VAL 12 -11.725 4.307 0.953
76 H CYS 13 H CYS 13 -6.474 3.796 0.402
77 HA CYS 13 HA CYS 13 -4.836 5.932 -0.483
78 HB2 CYS 13 1HB CYS 13 -4.251 3.433 0.051
79 HB3 CYS 13 2HB CYS 13 -4.634 3.178 -1.648
80 H ASN 14 H ASN 14 -4.838 7.058 -2.322
81 HA ASN 14 HA ASN 14 -6.884 6.488 -4.301
82 HB2 ASN 14 1HB ASN 14 -5.138 8.812 -3.643
83 HB3 ASN 14 2HB ASN 14 -5.727 8.674 -5.297
84 HD21 ASN 14 1HD2 ASN 14 -7.757 9.260 -5.746
85 HD22 ASN 14 2HD2 ASN 14 -8.923 9.759 -4.572
86 H GLU 15 H GLU 15 -3.845 5.405 -3.820
87 HA GLU 15 HA GLU 15 -2.987 5.515 -6.605
88 HB2 GLU 15 1HB GLU 15 -1.694 4.650 -4.041
89 HB3 GLU 15 2HB GLU 15 -1.027 4.132 -5.582
90 HG2 GLU 15 1HG GLU 15 0.082 6.130 -4.705
91 HG3 GLU 15 2HG GLU 15 -0.696 6.422 -6.259
92 H CYS 16 H CYS 16 -3.736 3.075 -4.129
93 HA CYS 16 HA CYS 16 -4.165 1.131 -6.303
94 HB2 CYS 16 1HB CYS 16 -3.652 -0.631 -4.629
95 HB3 CYS 16 2HB CYS 16 -2.294 0.450 -4.921
96 H GLY 17 H GLY 17 -5.327 2.336 -3.194
97 HA2 GLY 17 1HA GLY 17 -7.746 2.660 -2.990
98 HA3 GLY 17 2HA GLY 17 -7.948 1.124 -3.820
99 H LYS 18 H LYS 18 -5.455 1.430 -1.442
100 HA LYS 18 HA LYS 18 -6.739 -0.586 0.186
101 HB2 LYS 18 1HB LYS 18 -4.179 -0.254 -0.430
102 HB3 LYS 18 2HB LYS 18 -4.202 0.745 1.017
103 HG2 LYS 18 1HG LYS 18 -4.809 -1.073 2.386
104 HG3 LYS 18 2HG LYS 18 -5.214 -2.082 0.995
105 HD2 LYS 18 1HD LYS 18 -2.834 -2.040 0.322
106 HD3 LYS 18 2HD LYS 18 -2.464 -1.121 1.783
107 HE2 LYS 18 1HE LYS 18 -3.671 -3.885 1.695
108 HE3 LYS 18 2HE LYS 18 -1.988 -3.509 2.063
109 HZ1 LYS 18 3HZ LYS 18 -3.091 -3.813 4.111
110 HZ2 LYS 18 1HZ LYS 18 -4.386 -2.821 3.662
111 HZ3 LYS 18 2HZ LYS 18 -2.864 -2.144 3.953
112 H ALA 19 H ALA 19 -7.887 -0.230 1.970
113 HA ALA 19 HA ALA 19 -8.076 2.501 2.991
114 HB1 ALA 19 3HB ALA 19 -10.143 1.925 3.902
115 HB2 ALA 19 1HB ALA 19 -10.092 1.035 2.380
116 HB3 ALA 19 2HB ALA 19 -9.770 0.202 3.902
117 H PHE 20 H PHE 20 -7.680 3.066 5.112
118 HA PHE 20 HA PHE 20 -6.559 1.002 6.873
119 HB2 PHE 20 1HB PHE 20 -5.299 3.720 6.467
120 HB3 PHE 20 2HB PHE 20 -4.694 2.417 7.485
121 HD1 PHE 20 HD1 PHE 20 -5.449 3.285 3.955
122 HD2 PHE 20 HD2 PHE 20 -3.206 0.851 6.631
123 HE1 PHE 20 HE1 PHE 20 -4.126 2.431 2.064
124 HE2 PHE 20 HE2 PHE 20 -1.879 -0.006 4.745
125 HZ PHE 20 HZ PHE 20 -2.338 0.785 2.458
126 H GLY 21 H GLY 21 -7.743 0.978 8.660
127 HA2 GLY 21 1HA GLY 21 -9.639 2.812 9.442
128 HA3 GLY 21 2HA GLY 21 -8.833 1.711 10.548
129 H LEU 22 H LEU 22 -6.247 3.163 9.631
130 HA LEU 22 HA LEU 22 -6.582 5.499 11.396
131 HB2 LEU 22 1HB LEU 22 -4.532 3.363 11.330
132 HB3 LEU 22 2HB LEU 22 -3.970 5.000 11.661
133 HG LEU 22 HG LEU 22 -6.048 3.508 13.261
134 HD11 LEU 22 1HD1 LEU 22 -3.294 4.257 14.175
135 HD12 LEU 22 2HD1 LEU 22 -3.607 2.728 13.355
136 HD13 LEU 22 3HD1 LEU 22 -4.420 3.094 14.876
137 HD21 LEU 22 3HD2 LEU 22 -4.896 6.265 13.422
138 HD22 LEU 22 1HD2 LEU 22 -5.455 5.442 14.878
139 HD23 LEU 22 2HD2 LEU 22 -6.577 5.745 13.551
140 H LYS 23 H LYS 23 -5.151 7.299 10.984
141 HA LYS 23 HA LYS 23 -4.935 7.883 8.200
142 HB2 LYS 23 1HB LYS 23 -5.436 9.548 10.032
143 HB3 LYS 23 2HB LYS 23 -3.740 9.451 10.487
144 HG2 LYS 23 1HG LYS 23 -3.050 10.354 8.391
145 HG3 LYS 23 2HG LYS 23 -4.690 10.249 7.746
146 HD2 LYS 23 1HD LYS 23 -5.418 11.862 9.493
147 HD3 LYS 23 2HD LYS 23 -3.731 12.031 9.985
148 HE2 LYS 23 1HE LYS 23 -3.128 12.978 7.895
149 HE3 LYS 23 2HE LYS 23 -4.676 12.543 7.174
150 HZ1 LYS 23 3HZ LYS 23 -4.008 14.926 8.415
151 HZ2 LYS 23 1HZ LYS 23 -5.094 14.151 9.456
152 HZ3 LYS 23 2HZ LYS 23 -5.532 14.454 7.851
153 H SER 24 H SER 24 -2.407 7.966 10.718
154 HA SER 24 HA SER 24 -0.191 8.123 9.146
155 HB2 SER 24 1HB SER 24 0.179 8.210 11.467
156 HB3 SER 24 2HB SER 24 -0.650 6.679 11.748
157 HG SER 24 HG SER 24 1.402 6.063 11.813
158 H GLN 25 H GLN 25 -2.036 5.209 9.906
159 HA GLN 25 HA GLN 25 -0.378 3.259 8.888
160 HB2 GLN 25 1HB GLN 25 -3.386 3.470 8.850
161 HB3 GLN 25 2HB GLN 25 -2.527 2.026 8.331
162 HG2 GLN 25 1HG GLN 25 -2.515 3.261 11.073
163 HG3 GLN 25 2HG GLN 25 -3.251 1.733 10.590
164 HE21 GLN 25 1HE2 GLN 25 -0.906 2.771 12.387
165 HE22 GLN 25 2HE2 GLN 25 0.334 1.608 12.078
166 H LEU 26 H LEU 26 -2.634 5.352 7.145
167 HA LEU 26 HA LEU 26 -2.115 4.129 4.603
168 HB2 LEU 26 1HB LEU 26 -4.242 5.137 4.914
169 HB3 LEU 26 2HB LEU 26 -3.517 6.658 5.431
170 HG LEU 26 HG LEU 26 -2.616 6.889 3.084
171 HD11 LEU 26 1HD1 LEU 26 -4.290 4.435 2.768
172 HD12 LEU 26 2HD1 LEU 26 -2.691 4.795 2.119
173 HD13 LEU 26 3HD1 LEU 26 -4.117 5.568 1.427
174 HD21 LEU 26 3HD2 LEU 26 -4.675 8.013 4.024
175 HD22 LEU 26 1HD2 LEU 26 -5.619 6.762 3.215
176 HD23 LEU 26 2HD2 LEU 26 -4.612 7.858 2.267
177 H ILE 27 H ILE 27 -1.040 7.052 6.273
178 HA ILE 27 HA ILE 27 0.351 8.292 4.221
179 HB ILE 27 HB ILE 27 1.273 8.208 7.092
180 HG12 ILE 27 1HG1 ILE 27 -0.862 9.903 5.783
181 HG13 ILE 27 2HG1 ILE 27 -1.082 8.752 7.096
182 HG21 ILE 27 1HG2 ILE 27 2.800 9.679 6.443
183 HG22 ILE 27 2HG2 ILE 27 2.230 9.539 4.781
184 HG23 ILE 27 3HG2 ILE 27 1.531 10.752 5.854
185 HD11 ILE 27 3HD1 ILE 27 0.192 11.454 7.156
186 HD12 ILE 27 1HD1 ILE 27 -1.114 10.812 8.152
187 HD13 ILE 27 2HD1 ILE 27 0.541 10.254 8.399
188 H ILE 28 H ILE 28 1.410 5.719 6.406
189 HA ILE 28 HA ILE 28 4.087 5.640 5.437
190 HB ILE 28 HB ILE 28 2.543 3.480 6.879
191 HG12 ILE 28 1HG1 ILE 28 4.534 5.263 8.213
192 HG13 ILE 28 2HG1 ILE 28 2.919 5.892 7.909
193 HG21 ILE 28 1HG2 ILE 28 4.606 2.749 5.689
194 HG22 ILE 28 2HG2 ILE 28 5.522 3.881 6.682
195 HG23 ILE 28 3HG2 ILE 28 4.671 2.534 7.438
196 HD11 ILE 28 3HD1 ILE 28 3.535 3.376 9.438
197 HD12 ILE 28 1HD1 ILE 28 3.164 4.944 10.155
198 HD13 ILE 28 2HD1 ILE 28 1.945 4.100 9.199
199 H HIS 29 H HIS 29 1.099 4.038 4.550
200 HA HIS 29 HA HIS 29 2.282 2.061 2.878
201 HB2 HIS 29 1HB HIS 29 0.078 1.647 3.710
202 HB3 HIS 29 2HB HIS 29 -0.522 3.168 3.055
203 HD1 HIS 29 HD1 HIS 29 0.666 -0.233 1.911
204 HD2 HIS 29 HD2 HIS 29 -1.474 3.032 0.488
205 HE1 HIS 29 HE1 HIS 29 -0.282 -0.963 -0.301
206 H GLU 30 H GLU 30 0.559 5.095 2.140
207 HA GLU 30 HA GLU 30 0.748 5.127 -0.585
208 HB2 GLU 30 1HB GLU 30 1.156 7.493 1.252
209 HB3 GLU 30 2HB GLU 30 0.732 7.583 -0.451
210 HG2 GLU 30 1HG GLU 30 -1.408 6.695 -0.078
211 HG3 GLU 30 2HG GLU 30 -0.985 6.146 1.542
212 H ARG 31 H ARG 31 3.318 5.367 1.686
213 HA ARG 31 HA ARG 31 5.253 6.758 0.256
214 HB2 ARG 31 1HB ARG 31 5.568 4.428 2.154
215 HB3 ARG 31 2HB ARG 31 6.902 5.415 1.574
216 HG2 ARG 31 1HG ARG 31 5.945 7.377 2.631
217 HG3 ARG 31 2HG ARG 31 4.554 6.429 3.163
218 HD2 ARG 31 1HD ARG 31 5.951 6.529 5.040
219 HD3 ARG 31 2HD ARG 31 6.249 4.935 4.350
220 HE ARG 31 HE ARG 31 8.125 6.650 3.246
221 HH11 ARG 31 1HH1 ARG 31 7.264 5.454 6.400
222 HH12 ARG 31 2HH1 ARG 31 8.875 5.565 7.026
223 HH21 ARG 31 1HH2 ARG 31 10.251 6.800 4.058
224 HH22 ARG 31 2HH2 ARG 31 10.574 6.332 5.693
225 H ILE 32 H ILE 32 4.231 3.400 0.014
226 HA ILE 32 HA ILE 32 6.257 2.327 -1.522
227 HB ILE 32 HB ILE 32 4.742 0.656 -2.249
228 HG12 ILE 32 1HG1 ILE 32 2.449 2.476 -1.490
229 HG13 ILE 32 2HG1 ILE 32 3.035 2.264 -3.137
230 HG21 ILE 32 1HG2 ILE 32 4.688 -0.062 -0.149
231 HG22 ILE 32 2HG2 ILE 32 4.716 1.592 0.461
232 HG23 ILE 32 3HG2 ILE 32 3.178 0.821 0.073
233 HD11 ILE 32 3HD1 ILE 32 1.151 0.878 -2.919
234 HD12 ILE 32 1HD1 ILE 32 2.549 -0.195 -2.854
235 HD13 ILE 32 2HD1 ILE 32 1.701 0.241 -1.370
236 H HIS 33 H HIS 33 3.661 4.474 -2.479
237 HA HIS 33 HA HIS 33 4.300 4.214 -5.301
238 HB2 HIS 33 1HB HIS 33 2.374 6.145 -4.001
239 HB3 HIS 33 2HB HIS 33 2.431 5.674 -5.697
240 HD1 HIS 33 HD1 HIS 33 1.953 2.971 -6.057
241 HD2 HIS 33 HD2 HIS 33 0.572 4.737 -2.559
242 HE1 HIS 33 HE1 HIS 33 0.190 1.414 -5.169
243 H THR 34 H THR 34 4.412 6.731 -2.794
244 HA THR 34 HA THR 34 5.251 8.936 -4.027
245 HB THR 34 HB THR 34 6.685 9.494 -2.134
246 HG1 THR 34 HG1 THR 34 7.725 7.946 -1.152
247 HG21 THR 34 3HG2 THR 34 4.214 9.525 -1.862
248 HG22 THR 34 1HG2 THR 34 5.077 9.239 -0.352
249 HG23 THR 34 2HG2 THR 34 4.303 7.896 -1.192
250 H GLY 35 H GLY 35 7.272 6.074 -3.537
251 HA2 GLY 35 1HA GLY 35 9.653 7.213 -4.591
252 HA3 GLY 35 2HA GLY 35 9.329 5.498 -4.388
253 H GLU 36 H GLU 36 7.733 4.590 -6.045
254 HA GLU 36 HA GLU 36 8.516 5.622 -8.685
255 HB2 GLU 36 1HB GLU 36 7.796 2.865 -7.717
256 HB3 GLU 36 2HB GLU 36 7.791 3.269 -9.428
257 HG2 GLU 36 1HG GLU 36 9.879 2.290 -9.005
258 HG3 GLU 36 2HG GLU 36 10.179 4.022 -9.131
259 H SER 37 H SER 37 6.782 7.217 -8.502
260 HA SER 37 HA SER 37 4.076 6.126 -8.770
261 HB2 SER 37 1HB SER 37 3.282 8.373 -8.360
262 HB3 SER 37 2HB SER 37 4.498 7.981 -7.144
263 HG SER 37 HG SER 37 5.392 9.768 -7.794
264 H GLY 38 H GLY 38 5.890 5.734 -10.917
265 HA2 GLY 38 1HA GLY 38 5.799 5.807 -13.216
266 HA3 GLY 38 2HA GLY 38 4.303 6.717 -13.068
267 HA PRO 39 HA PRO 39 7.716 9.450 -14.747
268 HB2 PRO 39 1HB PRO 39 6.417 10.150 -17.026
269 HB3 PRO 39 2HB PRO 39 7.453 8.722 -16.910
270 HG2 PRO 39 1HG PRO 39 4.470 8.916 -16.751
271 HG3 PRO 39 2HG PRO 39 5.470 7.729 -17.608
272 HD2 PRO 39 1HD PRO 39 4.319 7.206 -15.214
273 HD3 PRO 39 2HD PRO 39 5.876 6.504 -15.698
274 H SER 40 H SER 40 4.545 9.664 -13.678
275 HA SER 40 HA SER 40 3.683 12.204 -14.314
276 HB2 SER 40 1HB SER 40 3.382 11.004 -11.558
277 HB3 SER 40 2HB SER 40 2.279 12.101 -12.388
278 HG SER 40 HG SER 40 1.856 9.682 -12.344
279 H SER 41 H SER 41 5.564 11.308 -11.417
280 HA SER 41 HA SER 41 6.012 13.954 -10.564
281 HB2 SER 41 1HB SER 41 6.346 11.627 -9.348
282 HB3 SER 41 2HB SER 41 7.999 11.809 -9.936
283 HG SER 41 HG SER 41 7.476 14.114 -8.947
284 H GLY 42 H GLY 42 7.622 15.403 -10.949
285 HA2 GLY 42 1HA GLY 42 9.223 14.949 -13.329
286 HA3 GLY 42 2HA GLY 42 9.059 16.463 -12.452
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -12.779 -12.394 1.870
2 HA2 GLY 1 1HA GLY 1 -10.318 -13.461 1.191
3 HA3 GLY 1 2HA GLY 1 -10.540 -12.069 0.142
4 H SER 2 H SER 2 -10.515 -13.071 3.540
5 HA SER 2 HA SER 2 -10.096 -11.909 5.463
6 HB2 SER 2 1HB SER 2 -8.059 -10.636 3.620
7 HB3 SER 2 2HB SER 2 -8.031 -10.531 5.380
8 HG SER 2 HG SER 2 -7.456 -12.685 3.710
9 H SER 3 H SER 3 -12.286 -10.873 4.121
10 HA SER 3 HA SER 3 -12.022 -7.992 4.683
11 HB2 SER 3 1HB SER 3 -12.295 -8.284 2.290
12 HB3 SER 3 2HB SER 3 -13.694 -9.329 2.542
13 HG SER 3 HG SER 3 -13.459 -6.549 2.951
14 H GLY 4 H GLY 4 -13.331 -7.230 6.214
15 HA2 GLY 4 1HA GLY 4 -15.718 -8.826 6.912
16 HA3 GLY 4 2HA GLY 4 -14.673 -8.121 8.136
17 H SER 5 H SER 5 -17.193 -7.480 8.430
18 HA SER 5 HA SER 5 -17.371 -4.725 7.407
19 HB2 SER 5 1HB SER 5 -19.427 -6.885 7.403
20 HB3 SER 5 2HB SER 5 -19.968 -5.237 7.721
21 HG SER 5 HG SER 5 -19.461 -4.663 5.726
22 H SER 6 H SER 6 -16.150 -5.361 9.806
23 HA SER 6 HA SER 6 -18.149 -4.629 11.838
24 HB2 SER 6 1HB SER 6 -15.491 -6.037 12.026
25 HB3 SER 6 2HB SER 6 -16.261 -5.327 13.445
26 HG SER 6 HG SER 6 -18.106 -6.644 12.948
27 H GLY 7 H GLY 7 -14.887 -3.863 10.668
28 HA2 GLY 7 1HA GLY 7 -14.949 -1.369 12.223
29 HA3 GLY 7 2HA GLY 7 -13.519 -2.091 11.501
30 H GLN 8 H GLN 8 -14.019 0.578 11.164
31 HA GLN 8 HA GLN 8 -14.850 0.724 8.341
32 HB2 GLN 8 1HB GLN 8 -15.693 2.919 8.688
33 HB3 GLN 8 2HB GLN 8 -16.342 1.924 9.985
34 HG2 GLN 8 1HG GLN 8 -14.847 2.846 11.567
35 HG3 GLN 8 2HG GLN 8 -13.886 3.621 10.308
36 HE21 GLN 8 1HE2 GLN 8 -14.718 5.126 12.367
37 HE22 GLN 8 2HE2 GLN 8 -15.972 6.206 11.872
38 H LYS 9 H LYS 9 -13.500 1.691 6.911
39 HA LYS 9 HA LYS 9 -11.006 2.840 7.980
40 HB2 LYS 9 1HB LYS 9 -11.342 1.079 5.545
41 HB3 LYS 9 2HB LYS 9 -9.849 1.894 5.993
42 HG2 LYS 9 1HG LYS 9 -9.856 0.628 8.124
43 HG3 LYS 9 2HG LYS 9 -11.271 -0.257 7.548
44 HD2 LYS 9 1HD LYS 9 -9.957 -1.029 5.605
45 HD3 LYS 9 2HD LYS 9 -8.543 -0.199 6.256
46 HE2 LYS 9 1HE LYS 9 -8.393 -2.513 6.850
47 HE3 LYS 9 2HE LYS 9 -8.755 -1.593 8.309
48 HZ1 LYS 9 3HZ LYS 9 -10.345 -3.581 6.941
49 HZ2 LYS 9 1HZ LYS 9 -11.209 -2.213 7.434
50 HZ3 LYS 9 2HZ LYS 9 -10.348 -3.124 8.569
51 HA PRO 10 HA PRO 10 -12.915 6.124 5.445
52 HB2 PRO 10 1HB PRO 10 -11.768 8.149 6.842
53 HB3 PRO 10 2HB PRO 10 -13.255 7.345 7.361
54 HG2 PRO 10 1HG PRO 10 -10.443 6.912 8.293
55 HG3 PRO 10 2HG PRO 10 -11.935 7.012 9.246
56 HD2 PRO 10 1HD PRO 10 -10.767 4.653 8.611
57 HD3 PRO 10 2HD PRO 10 -12.525 4.832 8.784
58 H TYR 11 H TYR 11 -9.561 5.976 6.620
59 HA TYR 11 HA TYR 11 -8.515 7.613 4.537
60 HB2 TYR 11 1HB TYR 11 -6.984 5.626 6.219
61 HB3 TYR 11 2HB TYR 11 -6.350 7.051 5.402
62 HD1 TYR 11 HD1 TYR 11 -8.430 5.890 8.223
63 HD2 TYR 11 HD2 TYR 11 -6.477 9.207 6.410
64 HE1 TYR 11 HE1 TYR 11 -8.795 7.213 10.264
65 HE2 TYR 11 HE2 TYR 11 -6.835 10.539 8.446
66 HH TYR 11 HH TYR 11 -8.982 9.801 10.771
67 H VAL 12 H VAL 12 -8.947 6.887 2.513
68 HA VAL 12 HA VAL 12 -8.113 4.145 1.837
69 HB VAL 12 HB VAL 12 -9.993 5.985 0.350
70 HG11 VAL 12 1HG1 VAL 12 -10.196 3.301 -0.521
71 HG12 VAL 12 2HG1 VAL 12 -9.662 4.711 -1.438
72 HG13 VAL 12 3HG1 VAL 12 -8.488 3.739 -0.549
73 HG21 VAL 12 3HG2 VAL 12 -11.141 5.210 2.250
74 HG22 VAL 12 1HG2 VAL 12 -11.636 4.129 0.947
75 HG23 VAL 12 2HG2 VAL 12 -10.434 3.598 2.123
76 H CYS 13 H CYS 13 -6.570 3.789 0.332
77 HA CYS 13 HA CYS 13 -4.882 5.971 -0.422
78 HB2 CYS 13 1HB CYS 13 -4.278 3.472 0.078
79 HB3 CYS 13 2HB CYS 13 -4.652 3.236 -1.626
80 H ASN 14 H ASN 14 -4.851 7.112 -2.255
81 HA ASN 14 HA ASN 14 -6.880 6.561 -4.260
82 HB2 ASN 14 1HB ASN 14 -4.927 8.855 -4.304
83 HB3 ASN 14 2HB ASN 14 -6.523 8.765 -5.043
84 HD21 ASN 14 1HD2 ASN 14 -8.365 8.622 -3.562
85 HD22 ASN 14 2HD2 ASN 14 -8.280 9.467 -2.057
86 H GLU 15 H GLU 15 -3.826 5.518 -3.761
87 HA GLU 15 HA GLU 15 -2.945 5.679 -6.537
88 HB2 GLU 15 1HB GLU 15 -1.661 4.797 -3.973
89 HB3 GLU 15 2HB GLU 15 -0.970 4.319 -5.517
90 HG2 GLU 15 1HG GLU 15 -1.313 7.090 -4.419
91 HG3 GLU 15 2HG GLU 15 0.183 6.255 -4.837
92 H CYS 16 H CYS 16 -3.783 3.228 -4.113
93 HA CYS 16 HA CYS 16 -4.117 1.294 -6.312
94 HB2 CYS 16 1HB CYS 16 -3.604 -0.484 -4.665
95 HB3 CYS 16 2HB CYS 16 -2.259 0.627 -4.898
96 H GLY 17 H GLY 17 -5.340 2.446 -3.206
97 HA2 GLY 17 1HA GLY 17 -7.760 2.744 -3.021
98 HA3 GLY 17 2HA GLY 17 -7.943 1.231 -3.897
99 H LYS 18 H LYS 18 -5.512 1.550 -1.436
100 HA LYS 18 HA LYS 18 -6.824 -0.526 0.115
101 HB2 LYS 18 1HB LYS 18 -4.268 -0.269 -0.485
102 HB3 LYS 18 2HB LYS 18 -4.252 0.751 0.948
103 HG2 LYS 18 1HG LYS 18 -4.704 -0.998 2.368
104 HG3 LYS 18 2HG LYS 18 -5.468 -1.966 1.105
105 HD2 LYS 18 1HD LYS 18 -3.151 -2.091 0.039
106 HD3 LYS 18 2HD LYS 18 -2.539 -1.477 1.577
107 HE2 LYS 18 1HE LYS 18 -2.364 -3.800 1.772
108 HE3 LYS 18 2HE LYS 18 -3.838 -3.401 2.651
109 HZ1 LYS 18 3HZ LYS 18 -4.653 -3.838 0.072
110 HZ2 LYS 18 1HZ LYS 18 -4.837 -4.899 1.377
111 HZ3 LYS 18 2HZ LYS 18 -3.502 -5.046 0.350
112 H ALA 19 H ALA 19 -7.925 -0.210 1.941
113 HA ALA 19 HA ALA 19 -8.116 2.508 2.993
114 HB1 ALA 19 3HB ALA 19 -10.138 1.855 4.019
115 HB2 ALA 19 1HB ALA 19 -10.148 1.114 2.418
116 HB3 ALA 19 2HB ALA 19 -9.766 0.141 3.838
117 H PHE 20 H PHE 20 -7.720 3.049 5.130
118 HA PHE 20 HA PHE 20 -6.530 0.988 6.844
119 HB2 PHE 20 1HB PHE 20 -5.304 3.720 6.420
120 HB3 PHE 20 2HB PHE 20 -4.673 2.429 7.438
121 HD1 PHE 20 HD1 PHE 20 -5.472 3.278 3.915
122 HD2 PHE 20 HD2 PHE 20 -3.188 0.862 6.573
123 HE1 PHE 20 HE1 PHE 20 -4.165 2.426 2.012
124 HE2 PHE 20 HE2 PHE 20 -1.877 0.007 4.675
125 HZ PHE 20 HZ PHE 20 -2.365 0.789 2.391
126 H GLY 21 H GLY 21 -7.784 0.928 8.589
127 HA2 GLY 21 1HA GLY 21 -9.648 2.734 9.439
128 HA3 GLY 21 2HA GLY 21 -8.804 1.642 10.527
129 H LEU 22 H LEU 22 -6.229 3.061 9.683
130 HA LEU 22 HA LEU 22 -6.581 5.408 11.430
131 HB2 LEU 22 1HB LEU 22 -4.507 3.300 11.309
132 HB3 LEU 22 2HB LEU 22 -3.954 4.942 11.634
133 HG LEU 22 HG LEU 22 -5.955 3.389 13.275
134 HD11 LEU 22 1HD1 LEU 22 -3.133 3.321 13.244
135 HD12 LEU 22 2HD1 LEU 22 -4.232 2.571 14.401
136 HD13 LEU 22 3HD1 LEU 22 -3.621 4.199 14.693
137 HD21 LEU 22 3HD2 LEU 22 -5.486 5.344 14.874
138 HD22 LEU 22 1HD2 LEU 22 -6.577 5.623 13.516
139 HD23 LEU 22 2HD2 LEU 22 -4.910 6.196 13.440
140 H LYS 23 H LYS 23 -5.218 7.245 11.002
141 HA LYS 23 HA LYS 23 -5.052 7.858 8.226
142 HB2 LYS 23 1HB LYS 23 -5.544 9.496 10.084
143 HB3 LYS 23 2HB LYS 23 -3.839 9.419 10.509
144 HG2 LYS 23 1HG LYS 23 -3.201 10.348 8.403
145 HG3 LYS 23 2HG LYS 23 -4.857 10.241 7.799
146 HD2 LYS 23 1HD LYS 23 -5.598 11.968 9.198
147 HD3 LYS 23 2HD LYS 23 -4.181 11.848 10.244
148 HE2 LYS 23 1HE LYS 23 -2.800 12.607 8.291
149 HE3 LYS 23 2HE LYS 23 -4.306 12.922 7.432
150 HZ1 LYS 23 3HZ LYS 23 -4.266 14.917 8.372
151 HZ2 LYS 23 1HZ LYS 23 -2.997 14.498 9.410
152 HZ3 LYS 23 2HZ LYS 23 -4.596 14.172 9.854
153 H SER 24 H SER 24 -2.474 7.968 10.691
154 HA SER 24 HA SER 24 -0.298 8.165 9.064
155 HB2 SER 24 1HB SER 24 -0.713 6.835 11.715
156 HB3 SER 24 2HB SER 24 0.843 6.663 10.903
157 HG SER 24 HG SER 24 0.347 8.570 12.414
158 H GLN 25 H GLN 25 -2.048 5.212 9.907
159 HA GLN 25 HA GLN 25 -0.396 3.282 8.871
160 HB2 GLN 25 1HB GLN 25 -3.408 3.456 8.818
161 HB3 GLN 25 2HB GLN 25 -2.520 2.013 8.346
162 HG2 GLN 25 1HG GLN 25 -2.526 3.321 11.055
163 HG3 GLN 25 2HG GLN 25 -3.283 1.791 10.612
164 HE21 GLN 25 1HE2 GLN 25 -1.534 1.929 12.706
165 HE22 GLN 25 2HE2 GLN 25 -0.075 1.095 12.305
166 H LEU 26 H LEU 26 -2.635 5.382 7.128
167 HA LEU 26 HA LEU 26 -2.121 4.137 4.588
168 HB2 LEU 26 1HB LEU 26 -4.261 5.110 4.888
169 HB3 LEU 26 2HB LEU 26 -3.565 6.642 5.412
170 HG LEU 26 HG LEU 26 -2.629 6.830 3.042
171 HD11 LEU 26 1HD1 LEU 26 -4.845 5.022 2.226
172 HD12 LEU 26 2HD1 LEU 26 -3.300 4.311 2.690
173 HD13 LEU 26 3HD1 LEU 26 -3.374 5.470 1.363
174 HD21 LEU 26 3HD2 LEU 26 -4.351 8.194 2.586
175 HD22 LEU 26 1HD2 LEU 26 -4.920 7.735 4.191
176 HD23 LEU 26 2HD2 LEU 26 -5.548 6.910 2.764
177 H ILE 27 H ILE 27 -1.000 6.991 6.313
178 HA ILE 27 HA ILE 27 0.349 8.273 4.229
179 HB ILE 27 HB ILE 27 1.291 8.226 7.092
180 HG12 ILE 27 1HG1 ILE 27 -0.937 9.829 5.825
181 HG13 ILE 27 2HG1 ILE 27 -1.079 8.679 7.149
182 HG21 ILE 27 1HG2 ILE 27 1.689 10.725 6.305
183 HG22 ILE 27 2HG2 ILE 27 2.870 9.451 6.003
184 HG23 ILE 27 3HG2 ILE 27 1.763 9.948 4.723
185 HD11 ILE 27 3HD1 ILE 27 0.555 10.280 8.368
186 HD12 ILE 27 1HD1 ILE 27 0.024 11.447 7.158
187 HD13 ILE 27 2HD1 ILE 27 -1.153 10.700 8.239
188 H ILE 28 H ILE 28 1.384 5.683 6.394
189 HA ILE 28 HA ILE 28 4.081 5.638 5.444
190 HB ILE 28 HB ILE 28 2.567 3.479 6.918
191 HG12 ILE 28 1HG1 ILE 28 4.518 5.327 8.226
192 HG13 ILE 28 2HG1 ILE 28 2.885 5.907 7.919
193 HG21 ILE 28 1HG2 ILE 28 5.073 3.090 7.669
194 HG22 ILE 28 2HG2 ILE 28 4.421 2.363 6.202
195 HG23 ILE 28 3HG2 ILE 28 5.400 3.826 6.100
196 HD11 ILE 28 3HD1 ILE 28 3.321 3.306 9.315
197 HD12 ILE 28 1HD1 ILE 28 3.445 4.830 10.193
198 HD13 ILE 28 2HD1 ILE 28 1.938 4.398 9.385
199 H HIS 29 H HIS 29 1.094 4.103 4.512
200 HA HIS 29 HA HIS 29 2.290 2.071 2.892
201 HB2 HIS 29 1HB HIS 29 0.093 1.640 3.713
202 HB3 HIS 29 2HB HIS 29 -0.517 3.165 3.079
203 HD1 HIS 29 HD1 HIS 29 0.632 -0.237 1.914
204 HD2 HIS 29 HD2 HIS 29 -1.446 3.069 0.495
205 HE1 HIS 29 HE1 HIS 29 -0.320 -0.943 -0.304
206 H GLU 30 H GLU 30 0.654 5.150 2.173
207 HA GLU 30 HA GLU 30 0.837 5.124 -0.580
208 HB2 GLU 30 1HB GLU 30 1.140 7.513 1.249
209 HB3 GLU 30 2HB GLU 30 0.764 7.584 -0.467
210 HG2 GLU 30 1HG GLU 30 -1.370 6.704 -0.162
211 HG3 GLU 30 2HG GLU 30 -0.982 6.076 1.439
212 H ARG 31 H ARG 31 3.364 5.270 1.690
213 HA ARG 31 HA ARG 31 5.295 6.753 0.287
214 HB2 ARG 31 1HB ARG 31 5.621 4.475 2.247
215 HB3 ARG 31 2HB ARG 31 6.943 5.483 1.673
216 HG2 ARG 31 1HG ARG 31 5.861 7.451 2.643
217 HG3 ARG 31 2HG ARG 31 4.547 6.431 3.230
218 HD2 ARG 31 1HD ARG 31 5.999 6.731 5.065
219 HD3 ARG 31 2HD ARG 31 6.311 5.102 4.465
220 HE ARG 31 HE ARG 31 8.437 5.749 3.911
221 HH11 ARG 31 1HH1 ARG 31 6.499 8.577 4.515
222 HH12 ARG 31 2HH1 ARG 31 7.842 9.670 4.453
223 HH21 ARG 31 1HH2 ARG 31 10.213 7.178 3.828
224 HH22 ARG 31 2HH2 ARG 31 9.953 8.873 4.062
225 H ILE 32 H ILE 32 4.102 3.527 -0.128
226 HA ILE 32 HA ILE 32 6.267 2.413 -1.544
227 HB ILE 32 HB ILE 32 4.785 0.693 -2.254
228 HG12 ILE 32 1HG1 ILE 32 2.441 2.400 -1.407
229 HG13 ILE 32 2HG1 ILE 32 3.011 2.303 -3.069
230 HG21 ILE 32 1HG2 ILE 32 5.110 0.228 -0.052
231 HG22 ILE 32 2HG2 ILE 32 4.423 1.759 0.488
232 HG23 ILE 32 3HG2 ILE 32 3.361 0.448 -0.024
233 HD11 ILE 32 3HD1 ILE 32 2.710 -0.268 -2.694
234 HD12 ILE 32 1HD1 ILE 32 1.615 0.264 -1.418
235 HD13 ILE 32 2HD1 ILE 32 1.331 0.758 -3.087
236 H HIS 33 H HIS 33 3.706 4.570 -2.487
237 HA HIS 33 HA HIS 33 4.232 4.222 -5.323
238 HB2 HIS 33 1HB HIS 33 2.423 6.243 -3.988
239 HB3 HIS 33 2HB HIS 33 2.412 5.762 -5.682
240 HD1 HIS 33 HD1 HIS 33 2.028 2.934 -5.844
241 HD2 HIS 33 HD2 HIS 33 0.411 5.053 -2.656
242 HE1 HIS 33 HE1 HIS 33 0.184 1.483 -4.938
243 H THR 34 H THR 34 4.559 6.766 -2.867
244 HA THR 34 HA THR 34 5.454 8.896 -4.245
245 HB THR 34 HB THR 34 6.835 9.539 -2.361
246 HG1 THR 34 HG1 THR 34 6.869 7.730 -0.630
247 HG21 THR 34 3HG2 THR 34 5.221 9.358 -0.570
248 HG22 THR 34 1HG2 THR 34 4.447 7.985 -1.361
249 HG23 THR 34 2HG2 THR 34 4.368 9.586 -2.097
250 H GLY 35 H GLY 35 7.254 5.928 -3.685
251 HA2 GLY 35 1HA GLY 35 9.545 7.038 -5.160
252 HA3 GLY 35 2HA GLY 35 9.579 5.596 -4.157
253 H GLU 36 H GLU 36 8.301 3.722 -4.954
254 HA GLU 36 HA GLU 36 9.109 2.688 -7.273
255 HB2 GLU 36 1HB GLU 36 6.323 2.403 -6.136
256 HB3 GLU 36 2HB GLU 36 7.004 1.352 -7.370
257 HG2 GLU 36 1HG GLU 36 8.359 1.723 -4.727
258 HG3 GLU 36 2HG GLU 36 7.047 0.564 -4.937
259 H SER 37 H SER 37 9.115 3.345 -9.308
260 HA SER 37 HA SER 37 7.451 5.459 -10.241
261 HB2 SER 37 1HB SER 37 9.843 4.743 -11.016
262 HB3 SER 37 2HB SER 37 8.973 3.650 -12.092
263 HG SER 37 HG SER 37 7.743 5.820 -12.488
264 H GLY 38 H GLY 38 5.760 5.421 -11.710
265 HA2 GLY 38 1HA GLY 38 4.748 3.525 -13.306
266 HA3 GLY 38 2HA GLY 38 4.232 2.950 -11.728
267 HA PRO 39 HA PRO 39 1.925 7.039 -13.076
268 HB2 PRO 39 1HB PRO 39 1.116 6.834 -15.659
269 HB3 PRO 39 2HB PRO 39 2.629 7.615 -15.186
270 HG2 PRO 39 1HG PRO 39 2.173 4.849 -16.236
271 HG3 PRO 39 2HG PRO 39 3.444 6.011 -16.658
272 HD2 PRO 39 1HD PRO 39 3.862 3.951 -14.951
273 HD3 PRO 39 2HD PRO 39 4.699 5.509 -14.791
274 H SER 40 H SER 40 1.142 4.004 -14.780
275 HA SER 40 HA SER 40 -1.541 4.124 -13.564
276 HB2 SER 40 1HB SER 40 -0.804 2.859 -16.214
277 HB3 SER 40 2HB SER 40 -2.423 2.981 -15.525
278 HG SER 40 HG SER 40 -2.383 4.713 -16.782
279 H SER 41 H SER 41 0.600 1.730 -15.122
280 HA SER 41 HA SER 41 -0.190 -0.198 -13.046
281 HB2 SER 41 1HB SER 41 0.728 -0.509 -15.890
282 HB3 SER 41 2HB SER 41 0.898 -1.845 -14.751
283 HG SER 41 HG SER 41 -1.573 -0.570 -14.849
284 H GLY 42 H GLY 42 1.304 -1.186 -11.768
285 HA2 GLY 42 1HA GLY 42 3.680 -1.922 -11.583
286 HA3 GLY 42 2HA GLY 42 4.103 -0.301 -12.116
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -7.900 -15.169 10.996
2 HA2 GLY 1 1HA GLY 1 -5.282 -14.866 10.099
3 HA3 GLY 1 2HA GLY 1 -6.281 -15.101 8.673
4 H SER 2 H SER 2 -6.884 -13.352 11.711
5 HA SER 2 HA SER 2 -6.751 -10.795 10.379
6 HB2 SER 2 1HB SER 2 -9.045 -10.154 10.683
7 HB3 SER 2 2HB SER 2 -9.042 -11.691 9.819
8 HG SER 2 HG SER 2 -10.426 -12.135 11.380
9 H SER 3 H SER 3 -6.740 -9.035 11.818
10 HA SER 3 HA SER 3 -6.652 -9.752 14.673
11 HB2 SER 3 1HB SER 3 -4.797 -7.786 13.313
12 HB3 SER 3 2HB SER 3 -4.739 -8.306 14.997
13 HG SER 3 HG SER 3 -4.534 -10.173 12.895
14 H GLY 4 H GLY 4 -6.630 -6.892 12.531
15 HA2 GLY 4 1HA GLY 4 -8.980 -5.856 13.899
16 HA3 GLY 4 2HA GLY 4 -7.510 -4.911 14.085
17 H SER 5 H SER 5 -9.087 -6.595 11.365
18 HA SER 5 HA SER 5 -8.813 -4.102 9.816
19 HB2 SER 5 1HB SER 5 -8.483 -5.383 7.839
20 HB3 SER 5 2HB SER 5 -7.456 -6.126 9.065
21 HG SER 5 HG SER 5 -10.050 -7.021 8.335
22 H SER 6 H SER 6 -11.017 -4.508 11.481
23 HA SER 6 HA SER 6 -13.158 -4.754 9.481
24 HB2 SER 6 1HB SER 6 -14.516 -6.062 10.878
25 HB3 SER 6 2HB SER 6 -12.914 -6.767 11.094
26 HG SER 6 HG SER 6 -12.751 -5.819 13.059
27 H GLY 7 H GLY 7 -14.809 -3.286 9.644
28 HA2 GLY 7 1HA GLY 7 -16.032 -1.811 11.306
29 HA3 GLY 7 2HA GLY 7 -14.434 -1.187 11.686
30 H GLN 8 H GLN 8 -14.265 0.804 10.905
31 HA GLN 8 HA GLN 8 -15.135 1.277 8.132
32 HB2 GLN 8 1HB GLN 8 -15.872 3.492 8.714
33 HB3 GLN 8 2HB GLN 8 -16.657 2.344 9.790
34 HG2 GLN 8 1HG GLN 8 -14.731 2.883 11.411
35 HG3 GLN 8 2HG GLN 8 -14.473 4.295 10.388
36 HE21 GLN 8 1HE2 GLN 8 -14.963 5.348 12.492
37 HE22 GLN 8 2HE2 GLN 8 -16.617 5.696 12.847
38 H LYS 9 H LYS 9 -13.584 1.984 6.826
39 HA LYS 9 HA LYS 9 -11.195 3.221 8.032
40 HB2 LYS 9 1HB LYS 9 -11.380 1.333 5.680
41 HB3 LYS 9 2HB LYS 9 -9.927 2.230 6.101
42 HG2 LYS 9 1HG LYS 9 -10.012 1.120 8.350
43 HG3 LYS 9 2HG LYS 9 -11.299 0.094 7.712
44 HD2 LYS 9 1HD LYS 9 -9.516 -0.266 5.772
45 HD3 LYS 9 2HD LYS 9 -8.398 0.128 7.080
46 HE2 LYS 9 1HE LYS 9 -9.683 -1.622 8.443
47 HE3 LYS 9 2HE LYS 9 -10.353 -2.143 6.897
48 HZ1 LYS 9 3HZ LYS 9 -8.200 -3.231 7.822
49 HZ2 LYS 9 1HZ LYS 9 -7.442 -1.864 7.174
50 HZ3 LYS 9 2HZ LYS 9 -8.331 -2.895 6.169
51 HA PRO 10 HA PRO 10 -12.848 6.463 5.310
52 HB2 PRO 10 1HB PRO 10 -11.604 8.486 6.625
53 HB3 PRO 10 2HB PRO 10 -13.131 7.782 7.169
54 HG2 PRO 10 1HG PRO 10 -10.348 7.247 8.133
55 HG3 PRO 10 2HG PRO 10 -11.835 7.464 9.074
56 HD2 PRO 10 1HD PRO 10 -10.788 5.023 8.547
57 HD3 PRO 10 2HD PRO 10 -12.535 5.299 8.703
58 H TYR 11 H TYR 11 -9.515 6.101 6.473
59 HA TYR 11 HA TYR 11 -8.368 7.630 4.352
60 HB2 TYR 11 1HB TYR 11 -6.972 5.602 6.102
61 HB3 TYR 11 2HB TYR 11 -6.240 6.945 5.231
62 HD1 TYR 11 HD1 TYR 11 -8.397 6.049 8.091
63 HD2 TYR 11 HD2 TYR 11 -6.204 9.140 6.156
64 HE1 TYR 11 HE1 TYR 11 -8.662 7.473 10.079
65 HE2 TYR 11 HE2 TYR 11 -6.462 10.572 8.139
66 HH TYR 11 HH TYR 11 -7.972 9.367 11.093
67 H VAL 12 H VAL 12 -8.787 6.894 2.339
68 HA VAL 12 HA VAL 12 -8.075 4.096 1.742
69 HB VAL 12 HB VAL 12 -10.016 5.885 0.272
70 HG11 VAL 12 1HG1 VAL 12 -8.533 3.696 -0.674
71 HG12 VAL 12 2HG1 VAL 12 -10.177 3.107 -0.419
72 HG13 VAL 12 3HG1 VAL 12 -9.890 4.502 -1.461
73 HG21 VAL 12 3HG2 VAL 12 -11.723 4.877 1.360
74 HG22 VAL 12 1HG2 VAL 12 -10.882 3.331 1.471
75 HG23 VAL 12 2HG2 VAL 12 -10.496 4.628 2.602
76 H CYS 13 H CYS 13 -6.446 3.740 0.376
77 HA CYS 13 HA CYS 13 -4.847 5.867 -0.587
78 HB2 CYS 13 1HB CYS 13 -4.233 3.382 -0.035
79 HB3 CYS 13 2HB CYS 13 -4.668 3.096 -1.716
80 H ASN 14 H ASN 14 -4.982 7.017 -2.397
81 HA ASN 14 HA ASN 14 -7.046 6.390 -4.329
82 HB2 ASN 14 1HB ASN 14 -5.092 8.701 -4.304
83 HB3 ASN 14 2HB ASN 14 -6.550 8.571 -5.283
84 HD21 ASN 14 1HD2 ASN 14 -8.250 9.598 -4.540
85 HD22 ASN 14 2HD2 ASN 14 -8.551 10.014 -2.890
86 H GLU 15 H GLU 15 -4.094 5.197 -3.936
87 HA GLU 15 HA GLU 15 -3.296 5.330 -6.752
88 HB2 GLU 15 1HB GLU 15 -1.866 4.472 -4.246
89 HB3 GLU 15 2HB GLU 15 -1.239 4.087 -5.842
90 HG2 GLU 15 1HG GLU 15 -0.256 6.119 -4.800
91 HG3 GLU 15 2HG GLU 15 -0.976 6.383 -6.386
92 H CYS 16 H CYS 16 -3.771 2.911 -4.181
93 HA CYS 16 HA CYS 16 -4.259 0.903 -6.280
94 HB2 CYS 16 1HB CYS 16 -3.662 -0.788 -4.570
95 HB3 CYS 16 2HB CYS 16 -2.342 0.328 -4.905
96 H GLY 17 H GLY 17 -5.415 2.242 -3.234
97 HA2 GLY 17 1HA GLY 17 -7.834 2.492 -2.994
98 HA3 GLY 17 2HA GLY 17 -8.003 0.912 -3.743
99 H LYS 18 H LYS 18 -5.421 1.196 -1.529
100 HA LYS 18 HA LYS 18 -6.644 -0.697 0.248
101 HB2 LYS 18 1HB LYS 18 -4.103 -0.310 -0.439
102 HB3 LYS 18 2HB LYS 18 -4.129 0.721 0.985
103 HG2 LYS 18 1HG LYS 18 -4.495 -1.044 2.423
104 HG3 LYS 18 2HG LYS 18 -5.175 -2.069 1.157
105 HD2 LYS 18 1HD LYS 18 -2.963 -2.300 0.147
106 HD3 LYS 18 2HD LYS 18 -2.278 -1.252 1.391
107 HE2 LYS 18 1HE LYS 18 -1.791 -3.395 2.158
108 HE3 LYS 18 2HE LYS 18 -3.243 -2.959 3.057
109 HZ1 LYS 18 3HZ LYS 18 -2.933 -5.236 1.667
110 HZ2 LYS 18 1HZ LYS 18 -3.748 -4.274 0.538
111 HZ3 LYS 18 2HZ LYS 18 -4.430 -4.553 2.061
112 H ALA 19 H ALA 19 -7.810 -0.279 2.002
113 HA ALA 19 HA ALA 19 -7.995 2.480 2.947
114 HB1 ALA 19 3HB ALA 19 -9.766 0.120 3.002
115 HB2 ALA 19 1HB ALA 19 -9.856 1.199 4.395
116 HB3 ALA 19 2HB ALA 19 -10.151 1.826 2.773
117 H PHE 20 H PHE 20 -7.735 3.059 5.120
118 HA PHE 20 HA PHE 20 -6.592 1.056 6.920
119 HB2 PHE 20 1HB PHE 20 -5.279 3.737 6.442
120 HB3 PHE 20 2HB PHE 20 -4.701 2.447 7.492
121 HD1 PHE 20 HD1 PHE 20 -5.385 3.295 3.949
122 HD2 PHE 20 HD2 PHE 20 -3.289 0.782 6.671
123 HE1 PHE 20 HE1 PHE 20 -4.076 2.371 2.082
124 HE2 PHE 20 HE2 PHE 20 -1.976 -0.145 4.808
125 HZ PHE 20 HZ PHE 20 -2.368 0.649 2.510
126 H GLY 21 H GLY 21 -7.893 1.102 8.630
127 HA2 GLY 21 1HA GLY 21 -9.706 3.031 9.351
128 HA3 GLY 21 2HA GLY 21 -8.974 1.913 10.493
129 H LEU 22 H LEU 22 -6.301 3.217 9.648
130 HA LEU 22 HA LEU 22 -6.575 5.585 11.381
131 HB2 LEU 22 1HB LEU 22 -4.597 3.382 11.327
132 HB3 LEU 22 2HB LEU 22 -3.982 4.999 11.661
133 HG LEU 22 HG LEU 22 -6.113 3.569 13.250
134 HD11 LEU 22 1HD1 LEU 22 -3.631 4.257 14.591
135 HD12 LEU 22 2HD1 LEU 22 -3.393 3.119 13.266
136 HD13 LEU 22 3HD1 LEU 22 -4.522 2.735 14.565
137 HD21 LEU 22 3HD2 LEU 22 -4.924 6.306 13.381
138 HD22 LEU 22 1HD2 LEU 22 -5.448 5.504 14.862
139 HD23 LEU 22 2HD2 LEU 22 -6.604 5.800 13.563
140 H LYS 23 H LYS 23 -5.161 7.365 10.951
141 HA LYS 23 HA LYS 23 -4.879 7.920 8.175
142 HB2 LYS 23 1HB LYS 23 -5.359 9.607 9.993
143 HB3 LYS 23 2HB LYS 23 -3.671 9.471 10.468
144 HG2 LYS 23 1HG LYS 23 -2.925 10.382 8.414
145 HG3 LYS 23 2HG LYS 23 -4.531 10.248 7.695
146 HD2 LYS 23 1HD LYS 23 -5.388 11.937 9.193
147 HD3 LYS 23 2HD LYS 23 -3.847 12.006 10.050
148 HE2 LYS 23 1HE LYS 23 -2.746 12.886 8.101
149 HE3 LYS 23 2HE LYS 23 -4.200 12.666 7.129
150 HZ1 LYS 23 3HZ LYS 23 -3.664 14.662 9.227
151 HZ2 LYS 23 1HZ LYS 23 -5.258 14.224 8.864
152 HZ3 LYS 23 2HZ LYS 23 -4.270 14.892 7.665
153 H SER 24 H SER 24 -2.356 8.038 10.694
154 HA SER 24 HA SER 24 -0.132 8.109 9.148
155 HB2 SER 24 1HB SER 24 -0.702 6.870 11.802
156 HB3 SER 24 2HB SER 24 0.849 6.516 11.041
157 HG SER 24 HG SER 24 0.706 8.442 12.460
158 H GLN 25 H GLN 25 -2.085 5.265 9.859
159 HA GLN 25 HA GLN 25 -0.443 3.262 8.889
160 HB2 GLN 25 1HB GLN 25 -3.445 3.538 8.819
161 HB3 GLN 25 2HB GLN 25 -2.611 2.072 8.321
162 HG2 GLN 25 1HG GLN 25 -2.585 3.330 11.053
163 HG3 GLN 25 2HG GLN 25 -3.377 1.828 10.579
164 HE21 GLN 25 1HE2 GLN 25 -0.968 2.831 12.346
165 HE22 GLN 25 2HE2 GLN 25 0.214 1.602 12.067
166 H LEU 26 H LEU 26 -2.686 5.347 7.108
167 HA LEU 26 HA LEU 26 -2.136 4.115 4.581
168 HB2 LEU 26 1HB LEU 26 -4.258 5.116 4.822
169 HB3 LEU 26 2HB LEU 26 -3.562 6.627 5.406
170 HG LEU 26 HG LEU 26 -2.561 6.867 3.067
171 HD11 LEU 26 1HD1 LEU 26 -2.821 5.153 1.683
172 HD12 LEU 26 2HD1 LEU 26 -4.543 5.529 1.633
173 HD13 LEU 26 3HD1 LEU 26 -3.932 4.349 2.793
174 HD21 LEU 26 3HD2 LEU 26 -5.544 6.934 2.978
175 HD22 LEU 26 1HD2 LEU 26 -4.373 8.116 2.393
176 HD23 LEU 26 2HD2 LEU 26 -4.682 7.963 4.123
177 H ILE 27 H ILE 27 -1.070 7.047 6.242
178 HA ILE 27 HA ILE 27 0.341 8.274 4.199
179 HB ILE 27 HB ILE 27 1.326 8.206 7.044
180 HG12 ILE 27 1HG1 ILE 27 -1.023 9.683 5.861
181 HG13 ILE 27 2HG1 ILE 27 -1.001 8.636 7.276
182 HG21 ILE 27 1HG2 ILE 27 2.283 9.489 4.814
183 HG22 ILE 27 2HG2 ILE 27 1.296 10.729 5.586
184 HG23 ILE 27 3HG2 ILE 27 2.601 9.954 6.485
185 HD11 ILE 27 3HD1 ILE 27 -0.899 10.520 8.448
186 HD12 ILE 27 1HD1 ILE 27 0.791 10.592 7.950
187 HD13 ILE 27 2HD1 ILE 27 -0.435 11.476 7.040
188 H ILE 28 H ILE 28 1.394 5.723 6.417
189 HA ILE 28 HA ILE 28 4.070 5.625 5.452
190 HB ILE 28 HB ILE 28 2.513 3.486 6.910
191 HG12 ILE 28 1HG1 ILE 28 4.522 5.266 8.223
192 HG13 ILE 28 2HG1 ILE 28 2.909 5.902 7.920
193 HG21 ILE 28 1HG2 ILE 28 4.698 2.921 5.643
194 HG22 ILE 28 2HG2 ILE 28 5.487 3.806 6.947
195 HG23 ILE 28 3HG2 ILE 28 4.512 2.382 7.312
196 HD11 ILE 28 3HD1 ILE 28 3.551 3.420 9.495
197 HD12 ILE 28 1HD1 ILE 28 3.114 4.991 10.166
198 HD13 ILE 28 2HD1 ILE 28 1.942 4.082 9.210
199 H HIS 29 H HIS 29 1.082 4.013 4.575
200 HA HIS 29 HA HIS 29 2.256 2.015 2.929
201 HB2 HIS 29 1HB HIS 29 0.046 1.614 3.714
202 HB3 HIS 29 2HB HIS 29 -0.531 3.159 3.095
203 HD1 HIS 29 HD1 HIS 29 0.553 -0.252 1.899
204 HD2 HIS 29 HD2 HIS 29 -1.433 3.118 0.499
205 HE1 HIS 29 HE1 HIS 29 -0.394 -0.910 -0.336
206 H GLU 30 H GLU 30 0.618 5.085 2.153
207 HA GLU 30 HA GLU 30 0.850 5.067 -0.582
208 HB2 GLU 30 1HB GLU 30 1.199 7.454 1.240
209 HB3 GLU 30 2HB GLU 30 0.828 7.527 -0.476
210 HG2 GLU 30 1HG GLU 30 -1.315 6.580 -0.147
211 HG3 GLU 30 2HG GLU 30 -0.940 6.144 1.519
212 H ARG 31 H ARG 31 3.364 5.237 1.725
213 HA ARG 31 HA ARG 31 5.340 6.662 0.378
214 HB2 ARG 31 1HB ARG 31 5.664 4.246 2.169
215 HB3 ARG 31 2HB ARG 31 6.951 5.356 1.718
216 HG2 ARG 31 1HG ARG 31 5.631 7.188 2.798
217 HG3 ARG 31 2HG ARG 31 4.530 5.947 3.399
218 HD2 ARG 31 1HD ARG 31 6.173 6.524 5.094
219 HD3 ARG 31 2HD ARG 31 6.397 4.860 4.555
220 HE ARG 31 HE ARG 31 8.154 6.054 3.010
221 HH11 ARG 31 1HH1 ARG 31 7.459 6.651 6.369
222 HH12 ARG 31 2HH1 ARG 31 9.069 7.169 6.744
223 HH21 ARG 31 1HH2 ARG 31 10.277 6.735 3.492
224 HH22 ARG 31 2HH2 ARG 31 10.671 7.218 5.107
225 H ILE 32 H ILE 32 4.164 3.407 -0.098
226 HA ILE 32 HA ILE 32 6.279 2.374 -1.622
227 HB ILE 32 HB ILE 32 4.763 0.694 -2.400
228 HG12 ILE 32 1HG1 ILE 32 2.513 2.445 -1.384
229 HG13 ILE 32 2HG1 ILE 32 2.938 2.232 -3.079
230 HG21 ILE 32 1HG2 ILE 32 4.288 1.586 0.426
231 HG22 ILE 32 2HG2 ILE 32 3.591 0.097 -0.211
232 HG23 ILE 32 3HG2 ILE 32 5.342 0.301 -0.163
233 HD11 ILE 32 3HD1 ILE 32 2.512 -0.236 -2.728
234 HD12 ILE 32 1HD1 ILE 32 1.790 0.213 -1.183
235 HD13 ILE 32 2HD1 ILE 32 1.104 0.825 -2.688
236 H HIS 33 H HIS 33 3.627 4.489 -2.459
237 HA HIS 33 HA HIS 33 4.182 4.289 -5.306
238 HB2 HIS 33 1HB HIS 33 2.238 6.109 -3.873
239 HB3 HIS 33 2HB HIS 33 2.284 5.770 -5.600
240 HD1 HIS 33 HD1 HIS 33 2.121 2.921 -5.965
241 HD2 HIS 33 HD2 HIS 33 0.247 4.716 -2.720
242 HE1 HIS 33 HE1 HIS 33 0.349 1.296 -5.228
243 H THR 34 H THR 34 4.374 6.716 -2.726
244 HA THR 34 HA THR 34 5.149 8.957 -4.026
245 HB THR 34 HB THR 34 6.437 9.620 -2.088
246 HG1 THR 34 HG1 THR 34 6.621 6.849 -1.723
247 HG21 THR 34 3HG2 THR 34 3.848 9.154 -2.012
248 HG22 THR 34 1HG2 THR 34 4.727 9.597 -0.549
249 HG23 THR 34 2HG2 THR 34 4.326 7.908 -0.859
250 H GLY 35 H GLY 35 6.948 6.003 -3.795
251 HA2 GLY 35 1HA GLY 35 8.966 7.135 -5.587
252 HA3 GLY 35 2HA GLY 35 9.530 6.431 -4.079
253 H GLU 36 H GLU 36 10.239 5.557 -6.700
254 HA GLU 36 HA GLU 36 8.755 3.100 -7.149
255 HB2 GLU 36 1HB GLU 36 10.306 2.798 -9.059
256 HB3 GLU 36 2HB GLU 36 9.449 4.332 -9.107
257 HG2 GLU 36 1HG GLU 36 12.140 4.236 -7.846
258 HG3 GLU 36 2HG GLU 36 12.017 4.192 -9.604
259 H SER 37 H SER 37 9.397 1.100 -6.587
260 HA SER 37 HA SER 37 11.452 0.793 -4.647
261 HB2 SER 37 1HB SER 37 10.920 -1.655 -4.865
262 HB3 SER 37 2HB SER 37 9.520 -0.638 -4.524
263 HG SER 37 HG SER 37 8.798 -1.786 -6.180
264 H GLY 38 H GLY 38 11.114 -0.505 -7.956
265 HA2 GLY 38 1HA GLY 38 13.363 0.001 -9.186
266 HA3 GLY 38 2HA GLY 38 13.987 -1.096 -7.964
267 HA PRO 39 HA PRO 39 12.546 -3.435 -11.787
268 HB2 PRO 39 1HB PRO 39 14.967 -4.476 -12.440
269 HB3 PRO 39 2HB PRO 39 14.395 -2.918 -13.048
270 HG2 PRO 39 1HG PRO 39 16.264 -3.496 -10.783
271 HG3 PRO 39 2HG PRO 39 16.385 -2.255 -12.044
272 HD2 PRO 39 1HD PRO 39 15.508 -1.708 -9.541
273 HD3 PRO 39 2HD PRO 39 14.911 -0.844 -10.973
274 H SER 40 H SER 40 13.069 -5.851 -12.203
275 HA SER 40 HA SER 40 13.014 -8.004 -11.469
276 HB2 SER 40 1HB SER 40 14.640 -6.901 -9.164
277 HB3 SER 40 2HB SER 40 14.416 -8.613 -9.523
278 HG SER 40 HG SER 40 15.825 -8.469 -11.088
279 H SER 41 H SER 41 10.807 -6.399 -10.923
280 HA SER 41 HA SER 41 9.542 -7.921 -8.867
281 HB2 SER 41 1HB SER 41 9.133 -6.268 -7.237
282 HB3 SER 41 2HB SER 41 10.842 -6.073 -7.628
283 HG SER 41 HG SER 41 10.385 -4.266 -8.772
284 H GLY 42 H GLY 42 7.234 -7.192 -8.545
285 HA2 GLY 42 1HA GLY 42 6.229 -5.902 -11.007
286 HA3 GLY 42 2HA GLY 42 5.477 -7.337 -10.327
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -13.476 -10.348 -10.276
2 HA2 GLY 1 1HA GLY 1 -12.197 -11.829 -8.233
3 HA3 GLY 1 2HA GLY 1 -11.623 -10.168 -8.201
4 H SER 2 H SER 2 -12.571 -10.035 -6.079
5 HA SER 2 HA SER 2 -15.228 -8.963 -6.163
6 HB2 SER 2 1HB SER 2 -14.732 -11.680 -5.030
7 HB3 SER 2 2HB SER 2 -15.860 -10.621 -4.184
8 HG SER 2 HG SER 2 -17.245 -11.244 -5.627
9 H SER 3 H SER 3 -15.920 -8.186 -3.977
10 HA SER 3 HA SER 3 -13.554 -7.277 -2.492
11 HB2 SER 3 1HB SER 3 -15.002 -5.448 -1.675
12 HB3 SER 3 2HB SER 3 -14.931 -5.487 -3.437
13 HG SER 3 HG SER 3 -17.048 -6.061 -1.720
14 H GLY 4 H GLY 4 -13.567 -7.251 -0.200
15 HA2 GLY 4 1HA GLY 4 -15.716 -8.554 1.232
16 HA3 GLY 4 2HA GLY 4 -14.244 -9.507 1.122
17 H SER 5 H SER 5 -15.378 -6.265 2.050
18 HA SER 5 HA SER 5 -13.541 -6.382 4.340
19 HB2 SER 5 1HB SER 5 -13.887 -4.078 2.416
20 HB3 SER 5 2HB SER 5 -13.144 -3.901 4.005
21 HG SER 5 HG SER 5 -11.640 -4.286 2.263
22 H SER 6 H SER 6 -14.525 -5.989 6.207
23 HA SER 6 HA SER 6 -17.209 -4.794 6.141
24 HB2 SER 6 1HB SER 6 -17.589 -5.893 8.288
25 HB3 SER 6 2HB SER 6 -17.024 -7.071 7.103
26 HG SER 6 HG SER 6 -16.022 -6.932 9.353
27 H GLY 7 H GLY 7 -14.208 -4.761 8.060
28 HA2 GLY 7 1HA GLY 7 -14.831 -2.735 9.836
29 HA3 GLY 7 2HA GLY 7 -13.209 -3.070 9.251
30 H GLN 8 H GLN 8 -14.990 -0.575 9.776
31 HA GLN 8 HA GLN 8 -15.100 0.729 7.225
32 HB2 GLN 8 1HB GLN 8 -15.762 2.708 8.489
33 HB3 GLN 8 2HB GLN 8 -16.668 1.300 9.026
34 HG2 GLN 8 1HG GLN 8 -14.180 2.076 10.469
35 HG3 GLN 8 2HG GLN 8 -15.670 2.975 10.752
36 HE21 GLN 8 1HE2 GLN 8 -14.632 1.746 12.855
37 HE22 GLN 8 2HE2 GLN 8 -15.533 0.333 13.276
38 H LYS 9 H LYS 9 -13.722 2.217 6.356
39 HA LYS 9 HA LYS 9 -11.422 3.145 7.860
40 HB2 LYS 9 1HB LYS 9 -11.081 1.493 5.350
41 HB3 LYS 9 2HB LYS 9 -9.793 2.325 6.211
42 HG2 LYS 9 1HG LYS 9 -10.069 0.897 8.119
43 HG3 LYS 9 2HG LYS 9 -11.491 0.141 7.397
44 HD2 LYS 9 1HD LYS 9 -10.171 -0.854 5.670
45 HD3 LYS 9 2HD LYS 9 -8.745 0.066 6.156
46 HE2 LYS 9 1HE LYS 9 -10.131 -1.911 7.955
47 HE3 LYS 9 2HE LYS 9 -8.799 -2.348 6.887
48 HZ1 LYS 9 3HZ LYS 9 -7.920 -1.894 9.037
49 HZ2 LYS 9 1HZ LYS 9 -8.726 -0.410 9.133
50 HZ3 LYS 9 2HZ LYS 9 -7.463 -0.616 8.027
51 HA PRO 10 HA PRO 10 -12.829 6.491 5.181
52 HB2 PRO 10 1HB PRO 10 -11.577 8.441 6.595
53 HB3 PRO 10 2HB PRO 10 -13.126 7.743 7.084
54 HG2 PRO 10 1HG PRO 10 -10.371 7.124 8.079
55 HG3 PRO 10 2HG PRO 10 -11.873 7.330 8.999
56 HD2 PRO 10 1HD PRO 10 -10.856 4.894 8.399
57 HD3 PRO 10 2HD PRO 10 -12.600 5.194 8.533
58 H TYR 11 H TYR 11 -9.520 6.105 6.424
59 HA TYR 11 HA TYR 11 -8.330 7.650 4.337
60 HB2 TYR 11 1HB TYR 11 -6.948 5.629 6.104
61 HB3 TYR 11 2HB TYR 11 -6.225 7.005 5.279
62 HD1 TYR 11 HD1 TYR 11 -8.403 5.989 8.076
63 HD2 TYR 11 HD2 TYR 11 -6.302 9.196 6.230
64 HE1 TYR 11 HE1 TYR 11 -8.755 7.367 10.083
65 HE2 TYR 11 HE2 TYR 11 -6.648 10.583 8.232
66 HH TYR 11 HH TYR 11 -8.858 9.883 10.592
67 H VAL 12 H VAL 12 -8.806 6.872 2.331
68 HA VAL 12 HA VAL 12 -8.022 4.092 1.746
69 HB VAL 12 HB VAL 12 -9.920 5.880 0.219
70 HG11 VAL 12 1HG1 VAL 12 -10.298 4.082 -1.265
71 HG12 VAL 12 2HG1 VAL 12 -8.545 4.229 -1.124
72 HG13 VAL 12 3HG1 VAL 12 -9.398 2.955 -0.250
73 HG21 VAL 12 3HG2 VAL 12 -11.592 4.129 0.935
74 HG22 VAL 12 1HG2 VAL 12 -10.368 3.542 2.061
75 HG23 VAL 12 2HG2 VAL 12 -10.994 5.183 2.216
76 H CYS 13 H CYS 13 -6.411 3.711 0.352
77 HA CYS 13 HA CYS 13 -4.730 5.812 -0.516
78 HB2 CYS 13 1HB CYS 13 -4.209 3.290 -0.059
79 HB3 CYS 13 2HB CYS 13 -4.645 3.081 -1.752
80 H ASN 14 H ASN 14 -4.521 6.835 -2.442
81 HA ASN 14 HA ASN 14 -6.674 6.419 -4.379
82 HB2 ASN 14 1HB ASN 14 -4.776 8.696 -3.846
83 HB3 ASN 14 2HB ASN 14 -5.721 8.617 -5.330
84 HD21 ASN 14 1HD2 ASN 14 -7.247 10.098 -5.127
85 HD22 ASN 14 2HD2 ASN 14 -8.317 10.264 -3.781
86 H GLU 15 H GLU 15 -3.959 4.931 -3.999
87 HA GLU 15 HA GLU 15 -3.064 5.166 -6.795
88 HB2 GLU 15 1HB GLU 15 -1.617 4.464 -4.265
89 HB3 GLU 15 2HB GLU 15 -1.012 3.884 -5.810
90 HG2 GLU 15 1HG GLU 15 -1.606 6.784 -5.386
91 HG3 GLU 15 2HG GLU 15 -0.081 6.079 -4.854
92 H CYS 16 H CYS 16 -3.730 2.849 -4.195
93 HA CYS 16 HA CYS 16 -4.117 0.776 -6.255
94 HB2 CYS 16 1HB CYS 16 -3.515 -0.888 -4.549
95 HB3 CYS 16 2HB CYS 16 -2.210 0.265 -4.808
96 H GLY 17 H GLY 17 -5.334 2.241 -3.305
97 HA2 GLY 17 1HA GLY 17 -7.717 2.490 -3.020
98 HA3 GLY 17 2HA GLY 17 -7.928 0.948 -3.836
99 H LYS 18 H LYS 18 -5.464 1.387 -1.415
100 HA LYS 18 HA LYS 18 -6.728 -0.653 0.221
101 HB2 LYS 18 1HB LYS 18 -4.185 -0.394 -0.408
102 HB3 LYS 18 2HB LYS 18 -4.165 0.700 0.969
103 HG2 LYS 18 1HG LYS 18 -4.568 -0.978 2.484
104 HG3 LYS 18 2HG LYS 18 -5.347 -2.017 1.288
105 HD2 LYS 18 1HD LYS 18 -3.135 -2.338 0.205
106 HD3 LYS 18 2HD LYS 18 -2.400 -1.408 1.512
107 HE2 LYS 18 1HE LYS 18 -2.145 -3.745 1.994
108 HE3 LYS 18 2HE LYS 18 -3.311 -3.060 3.126
109 HZ1 LYS 18 3HZ LYS 18 -5.091 -4.043 1.966
110 HZ2 LYS 18 1HZ LYS 18 -3.923 -5.258 2.116
111 HZ3 LYS 18 2HZ LYS 18 -4.123 -4.454 0.641
112 H ALA 19 H ALA 19 -7.891 -0.255 1.984
113 HA ALA 19 HA ALA 19 -8.061 2.487 2.970
114 HB1 ALA 19 3HB ALA 19 -9.986 0.617 2.491
115 HB2 ALA 19 1HB ALA 19 -9.771 0.478 4.237
116 HB3 ALA 19 2HB ALA 19 -10.185 2.035 3.520
117 H PHE 20 H PHE 20 -7.658 3.089 5.082
118 HA PHE 20 HA PHE 20 -6.535 1.061 6.879
119 HB2 PHE 20 1HB PHE 20 -5.235 3.746 6.387
120 HB3 PHE 20 2HB PHE 20 -4.642 2.461 7.434
121 HD1 PHE 20 HD1 PHE 20 -5.361 3.305 3.899
122 HD2 PHE 20 HD2 PHE 20 -3.243 0.789 6.600
123 HE1 PHE 20 HE1 PHE 20 -4.072 2.379 2.019
124 HE2 PHE 20 HE2 PHE 20 -1.949 -0.141 4.725
125 HZ PHE 20 HZ PHE 20 -2.362 0.654 2.431
126 H GLY 21 H GLY 21 -7.951 1.091 8.514
127 HA2 GLY 21 1HA GLY 21 -9.713 2.996 9.303
128 HA3 GLY 21 2HA GLY 21 -8.945 1.896 10.438
129 H LEU 22 H LEU 22 -6.281 3.137 9.700
130 HA LEU 22 HA LEU 22 -6.572 5.532 11.390
131 HB2 LEU 22 1HB LEU 22 -4.555 3.368 11.263
132 HB3 LEU 22 2HB LEU 22 -3.962 4.994 11.598
133 HG LEU 22 HG LEU 22 -6.006 3.485 13.228
134 HD11 LEU 22 1HD1 LEU 22 -3.443 4.315 14.401
135 HD12 LEU 22 2HD1 LEU 22 -3.341 3.037 13.190
136 HD13 LEU 22 3HD1 LEU 22 -4.364 2.825 14.611
137 HD21 LEU 22 3HD2 LEU 22 -6.573 5.726 13.494
138 HD22 LEU 22 1HD2 LEU 22 -4.896 6.263 13.397
139 HD23 LEU 22 2HD2 LEU 22 -5.470 5.423 14.838
140 H LYS 23 H LYS 23 -5.168 7.332 10.958
141 HA LYS 23 HA LYS 23 -4.958 7.908 8.169
142 HB2 LYS 23 1HB LYS 23 -5.492 9.576 9.991
143 HB3 LYS 23 2HB LYS 23 -3.797 9.506 10.453
144 HG2 LYS 23 1HG LYS 23 -3.105 10.430 8.380
145 HG3 LYS 23 2HG LYS 23 -4.721 10.256 7.692
146 HD2 LYS 23 1HD LYS 23 -5.579 11.889 9.302
147 HD3 LYS 23 2HD LYS 23 -3.963 12.060 9.992
148 HE2 LYS 23 1HE LYS 23 -3.143 13.151 8.114
149 HE3 LYS 23 2HE LYS 23 -4.417 12.523 7.070
150 HZ1 LYS 23 3HZ LYS 23 -5.455 14.132 9.190
151 HZ2 LYS 23 1HZ LYS 23 -5.704 14.259 7.522
152 HZ3 LYS 23 2HZ LYS 23 -4.356 14.991 8.234
153 H SER 24 H SER 24 -2.475 7.894 10.736
154 HA SER 24 HA SER 24 -0.234 8.126 9.174
155 HB2 SER 24 1HB SER 24 1.016 7.126 10.986
156 HB3 SER 24 2HB SER 24 -0.283 8.099 11.677
157 HG SER 24 HG SER 24 -0.631 5.343 11.192
158 H GLN 25 H GLN 25 -2.088 5.208 9.878
159 HA GLN 25 HA GLN 25 -0.405 3.265 8.878
160 HB2 GLN 25 1HB GLN 25 -3.414 3.462 8.773
161 HB3 GLN 25 2HB GLN 25 -2.528 2.019 8.297
162 HG2 GLN 25 1HG GLN 25 -2.579 3.289 11.023
163 HG3 GLN 25 2HG GLN 25 -3.329 1.767 10.544
164 HE21 GLN 25 1HE2 GLN 25 -1.553 1.988 12.672
165 HE22 GLN 25 2HE2 GLN 25 -0.113 1.113 12.288
166 H LEU 26 H LEU 26 -2.672 5.332 7.110
167 HA LEU 26 HA LEU 26 -2.120 4.137 4.572
168 HB2 LEU 26 1HB LEU 26 -4.236 5.175 4.871
169 HB3 LEU 26 2HB LEU 26 -3.491 6.685 5.393
170 HG LEU 26 HG LEU 26 -2.570 6.901 3.052
171 HD11 LEU 26 1HD1 LEU 26 -2.992 5.399 1.452
172 HD12 LEU 26 2HD1 LEU 26 -4.665 5.180 1.965
173 HD13 LEU 26 3HD1 LEU 26 -3.371 4.303 2.781
174 HD21 LEU 26 3HD2 LEU 26 -4.496 7.963 2.268
175 HD22 LEU 26 1HD2 LEU 26 -4.673 7.999 4.022
176 HD23 LEU 26 2HD2 LEU 26 -5.569 6.815 3.070
177 H ILE 27 H ILE 27 -1.027 7.044 6.262
178 HA ILE 27 HA ILE 27 0.399 8.278 4.237
179 HB ILE 27 HB ILE 27 1.264 8.141 7.126
180 HG12 ILE 27 1HG1 ILE 27 -0.689 10.016 5.775
181 HG13 ILE 27 2HG1 ILE 27 -1.093 8.786 6.968
182 HG21 ILE 27 1HG2 ILE 27 2.886 9.529 6.528
183 HG22 ILE 27 2HG2 ILE 27 2.352 9.439 4.850
184 HG23 ILE 27 3HG2 ILE 27 1.689 10.673 5.921
185 HD11 ILE 27 3HD1 ILE 27 0.529 10.061 8.503
186 HD12 ILE 27 1HD1 ILE 27 0.344 11.378 7.345
187 HD13 ILE 27 2HD1 ILE 27 -1.067 10.745 8.195
188 H ILE 28 H ILE 28 1.455 5.715 6.448
189 HA ILE 28 HA ILE 28 4.116 5.590 5.466
190 HB ILE 28 HB ILE 28 2.538 3.451 6.900
191 HG12 ILE 28 1HG1 ILE 28 4.577 5.171 8.239
192 HG13 ILE 28 2HG1 ILE 28 2.985 5.857 7.931
193 HG21 ILE 28 1HG2 ILE 28 4.514 2.307 7.268
194 HG22 ILE 28 2HG2 ILE 28 4.719 2.886 5.616
195 HG23 ILE 28 3HG2 ILE 28 5.514 3.724 6.947
196 HD11 ILE 28 3HD1 ILE 28 1.943 4.102 9.215
197 HD12 ILE 28 1HD1 ILE 28 3.503 3.314 9.452
198 HD13 ILE 28 2HD1 ILE 28 3.193 4.893 10.176
199 H HIS 29 H HIS 29 1.117 3.993 4.589
200 HA HIS 29 HA HIS 29 2.273 2.019 2.907
201 HB2 HIS 29 1HB HIS 29 0.040 1.692 3.757
202 HB3 HIS 29 2HB HIS 29 -0.515 3.183 3.002
203 HD1 HIS 29 HD1 HIS 29 0.655 -0.291 2.078
204 HD2 HIS 29 HD2 HIS 29 -1.406 2.916 0.426
205 HE1 HIS 29 HE1 HIS 29 -0.245 -1.129 -0.116
206 H GLU 30 H GLU 30 0.624 5.093 2.168
207 HA GLU 30 HA GLU 30 0.840 5.118 -0.561
208 HB2 GLU 30 1HB GLU 30 1.231 7.471 1.297
209 HB3 GLU 30 2HB GLU 30 0.862 7.581 -0.418
210 HG2 GLU 30 1HG GLU 30 -1.295 6.661 -0.107
211 HG3 GLU 30 2HG GLU 30 -0.926 6.184 1.549
212 H ARG 31 H ARG 31 3.381 5.276 1.733
213 HA ARG 31 HA ARG 31 5.356 6.676 0.368
214 HB2 ARG 31 1HB ARG 31 5.661 4.256 2.156
215 HB3 ARG 31 2HB ARG 31 6.969 5.331 1.680
216 HG2 ARG 31 1HG ARG 31 5.956 7.167 2.858
217 HG3 ARG 31 2HG ARG 31 4.536 6.187 3.232
218 HD2 ARG 31 1HD ARG 31 5.968 6.285 5.167
219 HD3 ARG 31 2HD ARG 31 5.986 4.648 4.512
220 HE ARG 31 HE ARG 31 8.127 6.381 3.615
221 HH11 ARG 31 1HH1 ARG 31 7.075 3.968 5.894
222 HH12 ARG 31 2HH1 ARG 31 8.683 3.468 6.304
223 HH21 ARG 31 1HH2 ARG 31 10.247 5.731 4.147
224 HH22 ARG 31 2HH2 ARG 31 10.486 4.472 5.311
225 H ILE 32 H ILE 32 4.205 3.393 -0.057
226 HA ILE 32 HA ILE 32 6.275 2.364 -1.622
227 HB ILE 32 HB ILE 32 4.752 0.689 -2.376
228 HG12 ILE 32 1HG1 ILE 32 2.470 2.382 -1.345
229 HG13 ILE 32 2HG1 ILE 32 2.952 2.325 -3.037
230 HG21 ILE 32 1HG2 ILE 32 4.594 1.598 0.426
231 HG22 ILE 32 2HG2 ILE 32 3.404 0.397 -0.072
232 HG23 ILE 32 3HG2 ILE 32 5.126 0.054 -0.240
233 HD11 ILE 32 3HD1 ILE 32 2.651 -0.333 -2.317
234 HD12 ILE 32 1HD1 ILE 32 1.316 0.500 -1.521
235 HD13 ILE 32 2HD1 ILE 32 1.531 0.644 -3.266
236 H HIS 33 H HIS 33 3.578 4.441 -2.457
237 HA HIS 33 HA HIS 33 4.143 4.266 -5.299
238 HB2 HIS 33 1HB HIS 33 2.198 6.097 -3.886
239 HB3 HIS 33 2HB HIS 33 2.225 5.697 -5.601
240 HD1 HIS 33 HD1 HIS 33 1.921 2.932 -5.990
241 HD2 HIS 33 HD2 HIS 33 0.379 4.641 -2.532
242 HE1 HIS 33 HE1 HIS 33 0.204 1.301 -5.142
243 H THR 34 H THR 34 4.294 6.709 -2.728
244 HA THR 34 HA THR 34 5.062 8.947 -4.032
245 HB THR 34 HB THR 34 6.318 9.639 -2.090
246 HG1 THR 34 HG1 THR 34 6.782 8.048 -0.442
247 HG21 THR 34 3HG2 THR 34 3.722 9.020 -2.029
248 HG22 THR 34 1HG2 THR 34 4.576 9.644 -0.619
249 HG23 THR 34 2HG2 THR 34 4.291 7.911 -0.782
250 H GLY 35 H GLY 35 7.092 6.130 -3.399
251 HA2 GLY 35 1HA GLY 35 9.292 7.413 -4.874
252 HA3 GLY 35 2HA GLY 35 9.456 6.027 -3.806
253 H GLU 36 H GLU 36 10.589 5.978 -6.299
254 HA GLU 36 HA GLU 36 8.836 4.677 -8.176
255 HB2 GLU 36 1HB GLU 36 10.616 6.027 -9.062
256 HB3 GLU 36 2HB GLU 36 11.821 5.129 -8.151
257 HG2 GLU 36 1HG GLU 36 11.331 3.133 -9.480
258 HG3 GLU 36 2HG GLU 36 10.142 4.049 -10.404
259 H SER 37 H SER 37 11.842 3.602 -6.579
260 HA SER 37 HA SER 37 11.917 0.990 -7.169
261 HB2 SER 37 1HB SER 37 13.579 1.883 -5.702
262 HB3 SER 37 2HB SER 37 12.379 2.266 -4.469
263 HG SER 37 HG SER 37 12.526 -0.389 -5.254
264 H GLY 38 H GLY 38 10.928 -0.915 -6.615
265 HA2 GLY 38 1HA GLY 38 9.487 -2.096 -4.978
266 HA3 GLY 38 2HA GLY 38 8.469 -0.664 -4.994
267 HA PRO 39 HA PRO 39 7.148 -3.910 -8.205
268 HB2 PRO 39 1HB PRO 39 4.916 -4.804 -6.943
269 HB3 PRO 39 2HB PRO 39 6.506 -5.546 -6.725
270 HG2 PRO 39 1HG PRO 39 5.075 -3.584 -4.974
271 HG3 PRO 39 2HG PRO 39 5.992 -5.031 -4.517
272 HD2 PRO 39 1HD PRO 39 7.027 -2.535 -4.346
273 HD3 PRO 39 2HD PRO 39 8.023 -3.958 -4.712
274 H SER 40 H SER 40 6.193 -1.057 -6.845
275 HA SER 40 HA SER 40 3.765 -0.857 -8.495
276 HB2 SER 40 1HB SER 40 3.669 -0.354 -5.987
277 HB3 SER 40 2HB SER 40 4.602 1.097 -6.353
278 HG SER 40 HG SER 40 2.616 1.017 -8.077
279 H SER 41 H SER 41 3.679 0.517 -10.172
280 HA SER 41 HA SER 41 6.057 2.177 -10.677
281 HB2 SER 41 1HB SER 41 5.498 0.320 -12.311
282 HB3 SER 41 2HB SER 41 4.054 1.238 -12.736
283 HG SER 41 HG SER 41 6.644 1.633 -13.477
284 H GLY 42 H GLY 42 2.558 2.146 -11.395
285 HA2 GLY 42 1HA GLY 42 1.152 3.973 -10.650
286 HA3 GLY 42 2HA GLY 42 2.533 5.043 -10.840
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -20.192 -4.831 2.327
2 HA2 GLY 1 1HA GLY 1 -20.856 -6.996 0.641
3 HA3 GLY 1 2HA GLY 1 -19.256 -6.406 0.217
4 H SER 2 H SER 2 -21.188 -7.988 2.645
5 HA SER 2 HA SER 2 -20.658 -9.125 4.553
6 HB2 SER 2 1HB SER 2 -19.454 -10.364 2.568
7 HB3 SER 2 2HB SER 2 -17.989 -9.789 3.364
8 HG SER 2 HG SER 2 -19.971 -11.069 4.882
9 H SER 3 H SER 3 -20.108 -6.413 4.764
10 HA SER 3 HA SER 3 -17.564 -6.325 6.239
11 HB2 SER 3 1HB SER 3 -19.229 -4.029 5.178
12 HB3 SER 3 2HB SER 3 -17.670 -3.887 5.990
13 HG SER 3 HG SER 3 -16.827 -5.214 4.244
14 H GLY 4 H GLY 4 -20.874 -4.998 6.415
15 HA2 GLY 4 1HA GLY 4 -22.113 -4.325 8.242
16 HA3 GLY 4 2HA GLY 4 -21.604 -5.879 8.886
17 H SER 5 H SER 5 -21.356 -5.300 10.998
18 HA SER 5 HA SER 5 -20.068 -2.919 11.848
19 HB2 SER 5 1HB SER 5 -21.702 -4.501 13.136
20 HB3 SER 5 2HB SER 5 -20.232 -5.371 13.574
21 HG SER 5 HG SER 5 -21.206 -3.086 14.591
22 H SER 6 H SER 6 -18.100 -2.935 13.262
23 HA SER 6 HA SER 6 -15.859 -3.232 13.516
24 HB2 SER 6 1HB SER 6 -16.674 -6.037 12.763
25 HB3 SER 6 2HB SER 6 -15.003 -5.616 13.138
26 HG SER 6 HG SER 6 -17.270 -5.508 14.821
27 H GLY 7 H GLY 7 -16.611 -2.010 11.184
28 HA2 GLY 7 1HA GLY 7 -14.326 -2.546 9.521
29 HA3 GLY 7 2HA GLY 7 -15.847 -2.977 8.752
30 H GLN 8 H GLN 8 -13.763 -0.409 9.736
31 HA GLN 8 HA GLN 8 -15.234 1.439 8.063
32 HB2 GLN 8 1HB GLN 8 -15.353 3.184 9.813
33 HB3 GLN 8 2HB GLN 8 -16.356 1.786 10.180
34 HG2 GLN 8 1HG GLN 8 -14.275 0.997 11.531
35 HG3 GLN 8 2HG GLN 8 -13.836 2.703 11.480
36 HE21 GLN 8 1HE2 GLN 8 -15.360 4.236 12.350
37 HE22 GLN 8 2HE2 GLN 8 -16.415 3.759 13.632
38 H LYS 9 H LYS 9 -13.635 2.033 6.749
39 HA LYS 9 HA LYS 9 -11.173 3.086 7.964
40 HB2 LYS 9 1HB LYS 9 -11.318 1.330 5.505
41 HB3 LYS 9 2HB LYS 9 -9.864 2.112 6.111
42 HG2 LYS 9 1HG LYS 9 -10.005 0.806 8.164
43 HG3 LYS 9 2HG LYS 9 -11.477 0.031 7.574
44 HD2 LYS 9 1HD LYS 9 -10.211 -0.877 5.669
45 HD3 LYS 9 2HD LYS 9 -8.742 -0.134 6.307
46 HE2 LYS 9 1HE LYS 9 -10.414 -2.148 7.802
47 HE3 LYS 9 2HE LYS 9 -8.991 -2.559 6.845
48 HZ1 LYS 9 3HZ LYS 9 -7.879 -0.766 8.342
49 HZ2 LYS 9 1HZ LYS 9 -8.098 -2.339 8.926
50 HZ3 LYS 9 2HZ LYS 9 -9.160 -1.109 9.393
51 HA PRO 10 HA PRO 10 -12.898 6.349 5.285
52 HB2 PRO 10 1HB PRO 10 -11.791 8.381 6.705
53 HB3 PRO 10 2HB PRO 10 -13.310 7.603 7.166
54 HG2 PRO 10 1HG PRO 10 -10.550 7.150 8.232
55 HG3 PRO 10 2HG PRO 10 -12.082 7.281 9.115
56 HD2 PRO 10 1HD PRO 10 -10.917 4.899 8.567
57 HD3 PRO 10 2HD PRO 10 -12.678 5.102 8.657
58 H TYR 11 H TYR 11 -9.608 5.977 6.530
59 HA TYR 11 HA TYR 11 -8.436 7.639 4.505
60 HB2 TYR 11 1HB TYR 11 -6.980 5.634 6.225
61 HB3 TYR 11 2HB TYR 11 -6.339 7.098 5.487
62 HD1 TYR 11 HD1 TYR 11 -8.586 5.830 8.141
63 HD2 TYR 11 HD2 TYR 11 -6.472 9.185 6.600
64 HE1 TYR 11 HE1 TYR 11 -9.057 7.071 10.212
65 HE2 TYR 11 HE2 TYR 11 -6.936 10.435 8.666
66 HH TYR 11 HH TYR 11 -7.611 10.195 10.851
67 H VAL 12 H VAL 12 -8.840 6.880 2.480
68 HA VAL 12 HA VAL 12 -7.974 4.130 1.872
69 HB VAL 12 HB VAL 12 -9.862 5.886 0.297
70 HG11 VAL 12 1HG1 VAL 12 -8.555 4.332 -1.090
71 HG12 VAL 12 2HG1 VAL 12 -9.125 2.988 -0.099
72 HG13 VAL 12 3HG1 VAL 12 -10.269 3.921 -1.064
73 HG21 VAL 12 3HG2 VAL 12 -10.623 3.357 1.706
74 HG22 VAL 12 1HG2 VAL 12 -10.599 4.894 2.571
75 HG23 VAL 12 2HG2 VAL 12 -11.649 4.686 1.169
76 H CYS 13 H CYS 13 -6.528 3.753 0.238
77 HA CYS 13 HA CYS 13 -4.845 5.962 -0.515
78 HB2 CYS 13 1HB CYS 13 -4.168 3.504 0.039
79 HB3 CYS 13 2HB CYS 13 -4.579 3.195 -1.645
80 H ASN 14 H ASN 14 -5.050 7.169 -2.274
81 HA ASN 14 HA ASN 14 -7.021 6.516 -4.272
82 HB2 ASN 14 1HB ASN 14 -5.097 8.844 -4.082
83 HB3 ASN 14 2HB ASN 14 -6.406 8.704 -5.251
84 HD21 ASN 14 1HD2 ASN 14 -5.529 9.988 -2.353
85 HD22 ASN 14 2HD2 ASN 14 -7.095 10.271 -1.679
86 H GLU 15 H GLU 15 -3.906 5.567 -3.816
87 HA GLU 15 HA GLU 15 -3.087 5.667 -6.604
88 HB2 GLU 15 1HB GLU 15 -1.772 4.797 -4.052
89 HB3 GLU 15 2HB GLU 15 -1.102 4.311 -5.602
90 HG2 GLU 15 1HG GLU 15 -1.584 7.153 -4.739
91 HG3 GLU 15 2HG GLU 15 -0.031 6.320 -4.688
92 H CYS 16 H CYS 16 -3.817 3.207 -4.145
93 HA CYS 16 HA CYS 16 -4.232 1.275 -6.332
94 HB2 CYS 16 1HB CYS 16 -3.641 -0.500 -4.720
95 HB3 CYS 16 2HB CYS 16 -2.318 0.635 -4.966
96 H GLY 17 H GLY 17 -5.352 2.416 -3.183
97 HA2 GLY 17 1HA GLY 17 -7.787 2.701 -2.965
98 HA3 GLY 17 2HA GLY 17 -7.957 1.144 -3.763
99 H LYS 18 H LYS 18 -5.385 1.392 -1.521
100 HA LYS 18 HA LYS 18 -6.601 -0.570 0.188
101 HB2 LYS 18 1HB LYS 18 -4.062 -0.155 -0.473
102 HB3 LYS 18 2HB LYS 18 -4.097 0.848 0.971
103 HG2 LYS 18 1HG LYS 18 -4.544 -0.965 2.366
104 HG3 LYS 18 2HG LYS 18 -5.073 -1.984 1.025
105 HD2 LYS 18 1HD LYS 18 -2.732 -1.925 0.156
106 HD3 LYS 18 2HD LYS 18 -2.260 -1.077 1.631
107 HE2 LYS 18 1HE LYS 18 -3.232 -3.022 2.912
108 HE3 LYS 18 2HE LYS 18 -3.365 -3.866 1.371
109 HZ1 LYS 18 3HZ LYS 18 -1.327 -4.448 2.530
110 HZ2 LYS 18 1HZ LYS 18 -0.848 -2.826 2.557
111 HZ3 LYS 18 2HZ LYS 18 -0.978 -3.645 1.083
112 H ALA 19 H ALA 19 -7.701 -0.245 2.011
113 HA ALA 19 HA ALA 19 -7.982 2.493 2.996
114 HB1 ALA 19 3HB ALA 19 -9.717 0.201 2.816
115 HB2 ALA 19 1HB ALA 19 -9.679 0.833 4.462
116 HB3 ALA 19 2HB ALA 19 -10.117 1.892 3.121
117 H PHE 20 H PHE 20 -7.744 3.032 5.197
118 HA PHE 20 HA PHE 20 -6.481 1.065 6.945
119 HB2 PHE 20 1HB PHE 20 -5.229 3.770 6.445
120 HB3 PHE 20 2HB PHE 20 -4.603 2.487 7.473
121 HD1 PHE 20 HD1 PHE 20 -5.341 3.389 3.962
122 HD2 PHE 20 HD2 PHE 20 -3.229 0.801 6.601
123 HE1 PHE 20 HE1 PHE 20 -4.062 2.497 2.059
124 HE2 PHE 20 HE2 PHE 20 -1.946 -0.094 4.702
125 HZ PHE 20 HZ PHE 20 -2.361 0.754 2.428
126 H GLY 21 H GLY 21 -7.934 1.078 8.555
127 HA2 GLY 21 1HA GLY 21 -9.697 2.970 9.358
128 HA3 GLY 21 2HA GLY 21 -8.924 1.869 10.489
129 H LEU 22 H LEU 22 -6.268 3.138 9.740
130 HA LEU 22 HA LEU 22 -6.574 5.527 11.436
131 HB2 LEU 22 1HB LEU 22 -4.561 3.359 11.342
132 HB3 LEU 22 2HB LEU 22 -3.962 4.985 11.664
133 HG LEU 22 HG LEU 22 -6.027 3.507 13.295
134 HD11 LEU 22 1HD1 LEU 22 -3.546 2.793 13.355
135 HD12 LEU 22 2HD1 LEU 22 -4.385 3.092 14.877
136 HD13 LEU 22 3HD1 LEU 22 -3.296 4.312 14.216
137 HD21 LEU 22 3HD2 LEU 22 -5.384 5.485 14.881
138 HD22 LEU 22 1HD2 LEU 22 -6.603 5.707 13.626
139 HD23 LEU 22 2HD2 LEU 22 -4.958 6.291 13.371
140 H LYS 23 H LYS 23 -5.184 7.332 11.007
141 HA LYS 23 HA LYS 23 -4.975 7.938 8.239
142 HB2 LYS 23 1HB LYS 23 -5.437 9.648 9.949
143 HB3 LYS 23 2HB LYS 23 -3.831 9.406 10.623
144 HG2 LYS 23 1HG LYS 23 -2.841 10.171 8.516
145 HG3 LYS 23 2HG LYS 23 -4.459 10.440 7.865
146 HD2 LYS 23 1HD LYS 23 -4.864 12.012 9.779
147 HD3 LYS 23 2HD LYS 23 -3.154 11.850 10.188
148 HE2 LYS 23 1HE LYS 23 -2.527 12.722 8.011
149 HE3 LYS 23 2HE LYS 23 -4.223 12.814 7.536
150 HZ1 LYS 23 3HZ LYS 23 -4.403 14.783 8.507
151 HZ2 LYS 23 1HZ LYS 23 -2.734 14.773 8.780
152 HZ3 LYS 23 2HZ LYS 23 -3.789 14.199 9.971
153 H SER 24 H SER 24 -2.370 8.048 10.671
154 HA SER 24 HA SER 24 -0.207 8.127 9.031
155 HB2 SER 24 1HB SER 24 1.095 7.444 10.840
156 HB3 SER 24 2HB SER 24 -0.368 8.020 11.638
157 HG SER 24 HG SER 24 0.586 5.419 11.318
158 H GLN 25 H GLN 25 -2.159 5.310 9.799
159 HA GLN 25 HA GLN 25 -0.550 3.270 8.858
160 HB2 GLN 25 1HB GLN 25 -3.538 3.627 8.843
161 HB3 GLN 25 2HB GLN 25 -2.784 2.160 8.233
162 HG2 GLN 25 1HG GLN 25 -2.593 3.258 11.027
163 HG3 GLN 25 2HG GLN 25 -3.484 1.828 10.506
164 HE21 GLN 25 1HE2 GLN 25 -1.094 2.436 12.340
165 HE22 GLN 25 2HE2 GLN 25 0.061 1.230 11.896
166 H LEU 26 H LEU 26 -2.757 5.360 7.034
167 HA LEU 26 HA LEU 26 -2.200 4.094 4.527
168 HB2 LEU 26 1HB LEU 26 -4.310 5.127 4.737
169 HB3 LEU 26 2HB LEU 26 -3.599 6.633 5.312
170 HG LEU 26 HG LEU 26 -2.586 6.867 2.993
171 HD11 LEU 26 1HD1 LEU 26 -4.286 5.598 1.361
172 HD12 LEU 26 2HD1 LEU 26 -4.191 4.411 2.662
173 HD13 LEU 26 3HD1 LEU 26 -2.723 4.932 1.835
174 HD21 LEU 26 3HD2 LEU 26 -5.430 7.155 3.766
175 HD22 LEU 26 1HD2 LEU 26 -5.033 7.359 2.060
176 HD23 LEU 26 2HD2 LEU 26 -4.256 8.377 3.273
177 H ILE 27 H ILE 27 -1.158 7.084 6.116
178 HA ILE 27 HA ILE 27 0.304 8.240 4.080
179 HB ILE 27 HB ILE 27 1.169 8.209 6.970
180 HG12 ILE 27 1HG1 ILE 27 -0.914 9.902 5.577
181 HG13 ILE 27 2HG1 ILE 27 -1.175 8.789 6.916
182 HG21 ILE 27 1HG2 ILE 27 2.615 9.826 6.442
183 HG22 ILE 27 2HG2 ILE 27 2.367 9.335 4.767
184 HG23 ILE 27 3HG2 ILE 27 1.436 10.672 5.441
185 HD11 ILE 27 3HD1 ILE 27 -1.057 11.336 7.354
186 HD12 ILE 27 1HD1 ILE 27 -0.248 10.223 8.457
187 HD13 ILE 27 2HD1 ILE 27 0.686 11.096 7.241
188 H ILE 28 H ILE 28 1.313 5.730 6.366
189 HA ILE 28 HA ILE 28 4.001 5.590 5.469
190 HB ILE 28 HB ILE 28 2.359 3.480 6.876
191 HG12 ILE 28 1HG1 ILE 28 4.409 5.205 8.210
192 HG13 ILE 28 2HG1 ILE 28 2.803 5.863 7.914
193 HG21 ILE 28 1HG2 ILE 28 5.353 3.750 6.634
194 HG22 ILE 28 2HG2 ILE 28 4.481 2.495 7.512
195 HG23 ILE 28 3HG2 ILE 28 4.359 2.588 5.756
196 HD11 ILE 28 3HD1 ILE 28 3.497 3.432 9.541
197 HD12 ILE 28 1HD1 ILE 28 2.884 4.977 10.129
198 HD13 ILE 28 2HD1 ILE 28 1.853 3.935 9.149
199 H HIS 29 H HIS 29 1.037 3.948 4.530
200 HA HIS 29 HA HIS 29 2.268 1.995 2.874
201 HB2 HIS 29 1HB HIS 29 0.057 1.544 3.636
202 HB3 HIS 29 2HB HIS 29 -0.544 3.079 3.017
203 HD1 HIS 29 HD1 HIS 29 0.660 -0.289 1.801
204 HD2 HIS 29 HD2 HIS 29 -1.448 3.018 0.428
205 HE1 HIS 29 HE1 HIS 29 -0.254 -0.959 -0.444
206 H GLU 30 H GLU 30 0.574 5.037 2.112
207 HA GLU 30 HA GLU 30 0.806 5.068 -0.612
208 HB2 GLU 30 1HB GLU 30 1.173 7.422 1.250
209 HB3 GLU 30 2HB GLU 30 0.814 7.532 -0.468
210 HG2 GLU 30 1HG GLU 30 -1.341 6.617 -0.176
211 HG3 GLU 30 2HG GLU 30 -0.981 6.110 1.473
212 H ARG 31 H ARG 31 3.336 5.267 1.697
213 HA ARG 31 HA ARG 31 5.306 6.671 0.337
214 HB2 ARG 31 1HB ARG 31 5.566 4.283 2.170
215 HB3 ARG 31 2HB ARG 31 6.922 5.267 1.636
216 HG2 ARG 31 1HG ARG 31 5.951 7.218 2.724
217 HG3 ARG 31 2HG ARG 31 4.570 6.247 3.240
218 HD2 ARG 31 1HD ARG 31 5.877 6.182 5.127
219 HD3 ARG 31 2HD ARG 31 6.417 4.725 4.295
220 HE ARG 31 HE ARG 31 8.465 5.719 3.925
221 HH11 ARG 31 1HH1 ARG 31 6.205 8.060 5.161
222 HH12 ARG 31 2HH1 ARG 31 7.414 9.266 5.455
223 HH21 ARG 31 1HH2 ARG 31 10.066 7.297 4.307
224 HH22 ARG 31 2HH2 ARG 31 9.610 8.831 4.968
225 H ILE 32 H ILE 32 4.203 3.365 -0.071
226 HA ILE 32 HA ILE 32 6.271 2.332 -1.614
227 HB ILE 32 HB ILE 32 4.767 0.667 -2.381
228 HG12 ILE 32 1HG1 ILE 32 2.474 2.459 -1.555
229 HG13 ILE 32 2HG1 ILE 32 3.030 2.256 -3.212
230 HG21 ILE 32 1HG2 ILE 32 3.234 0.632 -0.082
231 HG22 ILE 32 2HG2 ILE 32 4.845 -0.057 -0.275
232 HG23 ILE 32 3HG2 ILE 32 4.655 1.572 0.373
233 HD11 ILE 32 3HD1 ILE 32 1.667 0.273 -1.435
234 HD12 ILE 32 1HD1 ILE 32 1.193 0.844 -3.035
235 HD13 ILE 32 2HD1 ILE 32 2.578 -0.233 -2.857
236 H HIS 33 H HIS 33 3.668 4.497 -2.487
237 HA HIS 33 HA HIS 33 4.279 4.312 -5.322
238 HB2 HIS 33 1HB HIS 33 2.344 6.178 -3.940
239 HB3 HIS 33 2HB HIS 33 2.401 5.789 -5.657
240 HD1 HIS 33 HD1 HIS 33 2.012 3.057 -6.099
241 HD2 HIS 33 HD2 HIS 33 0.493 4.732 -2.613
242 HE1 HIS 33 HE1 HIS 33 0.248 1.454 -5.296
243 H THR 34 H THR 34 4.448 6.722 -2.724
244 HA THR 34 HA THR 34 5.283 8.959 -3.986
245 HB THR 34 HB THR 34 6.547 9.585 -2.020
246 HG1 THR 34 HG1 THR 34 6.903 7.946 -0.379
247 HG21 THR 34 3HG2 THR 34 3.996 9.313 -1.949
248 HG22 THR 34 1HG2 THR 34 4.846 9.443 -0.410
249 HG23 THR 34 2HG2 THR 34 4.307 7.867 -0.990
250 H GLY 35 H GLY 35 7.077 5.992 -3.671
251 HA2 GLY 35 1HA GLY 35 9.553 7.209 -4.600
252 HA3 GLY 35 2HA GLY 35 9.318 5.522 -4.169
253 H GLU 36 H GLU 36 7.479 7.504 -6.461
254 HA GLU 36 HA GLU 36 8.519 5.842 -8.649
255 HB2 GLU 36 1HB GLU 36 5.623 6.456 -8.059
256 HB3 GLU 36 2HB GLU 36 6.183 5.845 -9.609
257 HG2 GLU 36 1HG GLU 36 6.781 4.393 -7.061
258 HG3 GLU 36 2HG GLU 36 5.247 4.181 -7.903
259 H SER 37 H SER 37 6.616 8.729 -7.825
260 HA SER 37 HA SER 37 6.286 10.689 -8.975
261 HB2 SER 37 1HB SER 37 8.656 10.743 -7.905
262 HB3 SER 37 2HB SER 37 9.233 10.596 -9.565
263 HG SER 37 HG SER 37 7.485 12.458 -9.730
264 H GLY 38 H GLY 38 5.693 8.530 -10.619
265 HA2 GLY 38 1HA GLY 38 6.965 9.104 -13.195
266 HA3 GLY 38 2HA GLY 38 5.912 7.742 -12.842
267 HA PRO 39 HA PRO 39 3.404 10.703 -15.305
268 HB2 PRO 39 1HB PRO 39 2.096 8.769 -16.691
269 HB3 PRO 39 2HB PRO 39 3.677 9.394 -17.174
270 HG2 PRO 39 1HG PRO 39 3.006 6.889 -15.678
271 HG3 PRO 39 2HG PRO 39 4.174 7.129 -16.990
272 HD2 PRO 39 1HD PRO 39 4.912 7.003 -14.388
273 HD3 PRO 39 2HD PRO 39 5.772 8.002 -15.577
274 H SER 40 H SER 40 2.354 11.177 -13.256
275 HA SER 40 HA SER 40 0.176 9.420 -12.453
276 HB2 SER 40 1HB SER 40 1.700 10.579 -10.791
277 HB3 SER 40 2HB SER 40 0.916 12.091 -11.248
278 HG SER 40 HG SER 40 0.009 10.057 -9.657
279 H SER 41 H SER 41 -1.907 10.682 -11.787
280 HA SER 41 HA SER 41 -3.079 11.642 -14.179
281 HB2 SER 41 1HB SER 41 -4.334 10.445 -12.394
282 HB3 SER 41 2HB SER 41 -4.155 11.860 -11.357
283 HG SER 41 HG SER 41 -6.171 11.737 -12.552
284 H GLY 42 H GLY 42 -2.466 13.303 -11.077
285 HA2 GLY 42 1HA GLY 42 -1.519 15.474 -10.907
286 HA3 GLY 42 2HA GLY 42 -1.975 15.774 -12.577
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -15.281 -11.108 -5.521
2 HA2 GLY 1 1HA GLY 1 -17.604 -9.994 -5.956
3 HA3 GLY 1 2HA GLY 1 -17.995 -11.613 -6.514
4 H SER 2 H SER 2 -16.243 -10.267 -3.713
5 HA SER 2 HA SER 2 -17.725 -12.136 -2.003
6 HB2 SER 2 1HB SER 2 -15.960 -11.869 -0.383
7 HB3 SER 2 2HB SER 2 -15.215 -12.169 -1.952
8 HG SER 2 HG SER 2 -15.127 -9.763 -2.073
9 H SER 3 H SER 3 -18.943 -11.456 -0.292
10 HA SER 3 HA SER 3 -19.372 -8.548 -0.086
11 HB2 SER 3 1HB SER 3 -21.655 -8.923 0.359
12 HB3 SER 3 2HB SER 3 -21.276 -10.070 -0.926
13 HG SER 3 HG SER 3 -21.088 -11.687 0.660
14 H GLY 4 H GLY 4 -18.709 -7.645 1.741
15 HA2 GLY 4 1HA GLY 4 -19.161 -8.919 4.290
16 HA3 GLY 4 2HA GLY 4 -17.463 -8.818 3.846
17 H SER 5 H SER 5 -18.387 -7.582 6.118
18 HA SER 5 HA SER 5 -18.306 -4.732 5.370
19 HB2 SER 5 1HB SER 5 -20.451 -5.459 6.439
20 HB3 SER 5 2HB SER 5 -19.533 -5.896 7.880
21 HG SER 5 HG SER 5 -20.477 -3.514 7.199
22 H SER 6 H SER 6 -16.007 -4.792 5.397
23 HA SER 6 HA SER 6 -14.530 -5.619 7.681
24 HB2 SER 6 1HB SER 6 -12.614 -4.804 6.557
25 HB3 SER 6 2HB SER 6 -13.684 -5.369 5.274
26 HG SER 6 HG SER 6 -14.418 -2.991 5.422
27 H GLY 7 H GLY 7 -13.242 -4.223 9.068
28 HA2 GLY 7 1HA GLY 7 -14.668 -2.392 10.516
29 HA3 GLY 7 2HA GLY 7 -12.913 -2.402 10.439
30 H GLN 8 H GLN 8 -14.938 -0.192 10.577
31 HA GLN 8 HA GLN 8 -15.123 1.196 8.172
32 HB2 GLN 8 1HB GLN 8 -15.325 3.242 9.627
33 HB3 GLN 8 2HB GLN 8 -16.427 1.930 10.026
34 HG2 GLN 8 1HG GLN 8 -13.821 2.145 11.455
35 HG3 GLN 8 2HG GLN 8 -15.156 3.205 11.903
36 HE21 GLN 8 1HE2 GLN 8 -17.321 1.632 11.680
37 HE22 GLN 8 2HE2 GLN 8 -17.229 0.303 12.780
38 H LYS 9 H LYS 9 -13.629 2.037 6.893
39 HA LYS 9 HA LYS 9 -11.163 3.098 8.083
40 HB2 LYS 9 1HB LYS 9 -11.335 1.255 5.693
41 HB3 LYS 9 2HB LYS 9 -9.887 2.141 6.155
42 HG2 LYS 9 1HG LYS 9 -9.910 0.965 8.330
43 HG3 LYS 9 2HG LYS 9 -11.289 0.019 7.766
44 HD2 LYS 9 1HD LYS 9 -9.872 -0.735 5.842
45 HD3 LYS 9 2HD LYS 9 -8.501 0.060 6.618
46 HE2 LYS 9 1HE LYS 9 -8.617 -2.367 7.089
47 HE3 LYS 9 2HE LYS 9 -8.700 -1.373 8.543
48 HZ1 LYS 9 3HZ LYS 9 -11.049 -1.707 8.656
49 HZ2 LYS 9 1HZ LYS 9 -10.314 -3.223 8.507
50 HZ3 LYS 9 2HZ LYS 9 -11.070 -2.515 7.170
51 HA PRO 10 HA PRO 10 -12.895 6.343 5.407
52 HB2 PRO 10 1HB PRO 10 -11.693 8.374 6.748
53 HB3 PRO 10 2HB PRO 10 -13.205 7.632 7.284
54 HG2 PRO 10 1HG PRO 10 -10.412 7.142 8.241
55 HG3 PRO 10 2HG PRO 10 -11.903 7.316 9.184
56 HD2 PRO 10 1HD PRO 10 -10.805 4.905 8.626
57 HD3 PRO 10 2HD PRO 10 -12.557 5.142 8.786
58 H TYR 11 H TYR 11 -9.555 6.046 6.570
59 HA TYR 11 HA TYR 11 -8.439 7.624 4.471
60 HB2 TYR 11 1HB TYR 11 -6.995 5.593 6.177
61 HB3 TYR 11 2HB TYR 11 -6.300 6.978 5.342
62 HD1 TYR 11 HD1 TYR 11 -8.442 5.954 8.172
63 HD2 TYR 11 HD2 TYR 11 -6.312 9.144 6.329
64 HE1 TYR 11 HE1 TYR 11 -8.745 7.318 10.196
65 HE2 TYR 11 HE2 TYR 11 -6.608 10.516 8.349
66 HH TYR 11 HH TYR 11 -7.152 10.409 10.584
67 H VAL 12 H VAL 12 -8.734 6.947 2.432
68 HA VAL 12 HA VAL 12 -8.026 4.156 1.797
69 HB VAL 12 HB VAL 12 -9.931 5.959 0.296
70 HG11 VAL 12 1HG1 VAL 12 -8.451 3.760 -0.609
71 HG12 VAL 12 2HG1 VAL 12 -10.094 3.165 -0.357
72 HG13 VAL 12 3HG1 VAL 12 -9.808 4.547 -1.415
73 HG21 VAL 12 3HG2 VAL 12 -11.669 4.998 1.370
74 HG22 VAL 12 1HG2 VAL 12 -10.866 3.432 1.491
75 HG23 VAL 12 2HG2 VAL 12 -10.468 4.718 2.630
76 H CYS 13 H CYS 13 -6.499 3.787 0.286
77 HA CYS 13 HA CYS 13 -4.842 5.953 -0.553
78 HB2 CYS 13 1HB CYS 13 -4.210 3.475 -0.045
79 HB3 CYS 13 2HB CYS 13 -4.670 3.193 -1.721
80 H ASN 14 H ASN 14 -4.657 6.930 -2.510
81 HA ASN 14 HA ASN 14 -6.822 6.444 -4.411
82 HB2 ASN 14 1HB ASN 14 -4.838 8.712 -4.152
83 HB3 ASN 14 2HB ASN 14 -6.049 8.604 -5.426
84 HD21 ASN 14 1HD2 ASN 14 -5.642 10.562 -3.252
85 HD22 ASN 14 2HD2 ASN 14 -7.148 10.624 -2.406
86 H GLU 15 H GLU 15 -3.761 5.359 -3.963
87 HA GLU 15 HA GLU 15 -2.970 5.409 -6.769
88 HB2 GLU 15 1HB GLU 15 -1.615 4.572 -4.224
89 HB3 GLU 15 2HB GLU 15 -0.978 4.065 -5.782
90 HG2 GLU 15 1HG GLU 15 0.228 5.980 -5.293
91 HG3 GLU 15 2HG GLU 15 -1.026 6.552 -6.393
92 H CYS 16 H CYS 16 -3.700 3.033 -4.230
93 HA CYS 16 HA CYS 16 -4.152 1.036 -6.351
94 HB2 CYS 16 1HB CYS 16 -3.618 -0.688 -4.654
95 HB3 CYS 16 2HB CYS 16 -2.265 0.396 -4.962
96 H GLY 17 H GLY 17 -5.297 2.371 -3.298
97 HA2 GLY 17 1HA GLY 17 -7.698 2.692 -3.050
98 HA3 GLY 17 2HA GLY 17 -7.925 1.150 -3.863
99 H LYS 18 H LYS 18 -5.388 1.395 -1.542
100 HA LYS 18 HA LYS 18 -6.670 -0.579 0.121
101 HB2 LYS 18 1HB LYS 18 -4.106 -0.210 -0.505
102 HB3 LYS 18 2HB LYS 18 -4.145 0.757 0.964
103 HG2 LYS 18 1HG LYS 18 -4.732 -1.095 2.291
104 HG3 LYS 18 2HG LYS 18 -5.134 -2.076 0.880
105 HD2 LYS 18 1HD LYS 18 -2.740 -1.964 0.202
106 HD3 LYS 18 2HD LYS 18 -2.394 -1.136 1.722
107 HE2 LYS 18 1HE LYS 18 -3.748 -3.819 1.617
108 HE3 LYS 18 2HE LYS 18 -1.994 -3.650 1.654
109 HZ1 LYS 18 3HZ LYS 18 -3.484 -3.850 3.838
110 HZ2 LYS 18 1HZ LYS 18 -3.463 -2.166 3.675
111 HZ3 LYS 18 2HZ LYS 18 -2.009 -3.020 3.802
112 H ALA 19 H ALA 19 -7.778 -0.234 1.937
113 HA ALA 19 HA ALA 19 -7.989 2.508 2.933
114 HB1 ALA 19 3HB ALA 19 -9.718 0.087 3.096
115 HB2 ALA 19 1HB ALA 19 -9.870 1.335 4.333
116 HB3 ALA 19 2HB ALA 19 -10.130 1.739 2.636
117 H PHE 20 H PHE 20 -7.784 3.017 5.146
118 HA PHE 20 HA PHE 20 -6.589 0.990 6.881
119 HB2 PHE 20 1HB PHE 20 -5.316 3.701 6.466
120 HB3 PHE 20 2HB PHE 20 -4.720 2.400 7.491
121 HD1 PHE 20 HD1 PHE 20 -5.449 3.267 3.958
122 HD2 PHE 20 HD2 PHE 20 -3.244 0.814 6.648
123 HE1 PHE 20 HE1 PHE 20 -4.124 2.400 2.075
124 HE2 PHE 20 HE2 PHE 20 -1.915 -0.057 4.769
125 HZ PHE 20 HZ PHE 20 -2.353 0.736 2.480
126 H GLY 21 H GLY 21 -7.758 0.987 8.678
127 HA2 GLY 21 1HA GLY 21 -9.659 2.831 9.436
128 HA3 GLY 21 2HA GLY 21 -8.858 1.735 10.552
129 H LEU 22 H LEU 22 -6.254 3.139 9.678
130 HA LEU 22 HA LEU 22 -6.590 5.497 11.414
131 HB2 LEU 22 1HB LEU 22 -4.550 3.354 11.357
132 HB3 LEU 22 2HB LEU 22 -3.975 4.990 11.671
133 HG LEU 22 HG LEU 22 -6.043 3.507 13.295
134 HD11 LEU 22 1HD1 LEU 22 -3.403 4.341 14.367
135 HD12 LEU 22 2HD1 LEU 22 -3.465 2.917 13.330
136 HD13 LEU 22 3HD1 LEU 22 -4.427 2.973 14.807
137 HD21 LEU 22 3HD2 LEU 22 -6.612 5.733 13.561
138 HD22 LEU 22 1HD2 LEU 22 -4.944 6.287 13.403
139 HD23 LEU 22 2HD2 LEU 22 -5.469 5.479 14.881
140 H LYS 23 H LYS 23 -5.135 7.287 11.002
141 HA LYS 23 HA LYS 23 -4.923 7.863 8.213
142 HB2 LYS 23 1HB LYS 23 -5.428 9.532 10.047
143 HB3 LYS 23 2HB LYS 23 -3.728 9.445 10.490
144 HG2 LYS 23 1HG LYS 23 -3.060 10.335 8.377
145 HG3 LYS 23 2HG LYS 23 -4.709 10.231 7.756
146 HD2 LYS 23 1HD LYS 23 -5.432 12.033 9.004
147 HD3 LYS 23 2HD LYS 23 -4.162 11.838 10.214
148 HE2 LYS 23 1HE LYS 23 -2.530 12.491 8.375
149 HE3 LYS 23 2HE LYS 23 -3.942 12.987 7.443
150 HZ1 LYS 23 3HZ LYS 23 -3.991 14.887 8.550
151 HZ2 LYS 23 1HZ LYS 23 -2.585 14.445 9.382
152 HZ3 LYS 23 2HZ LYS 23 -4.103 14.079 10.032
153 H SER 24 H SER 24 -2.390 8.022 10.720
154 HA SER 24 HA SER 24 -0.181 8.143 9.143
155 HB2 SER 24 1HB SER 24 -0.684 6.905 11.816
156 HB3 SER 24 2HB SER 24 0.877 6.628 11.043
157 HG SER 24 HG SER 24 1.141 8.886 10.921
158 H GLN 25 H GLN 25 -2.095 5.287 9.869
159 HA GLN 25 HA GLN 25 -0.405 3.297 8.932
160 HB2 GLN 25 1HB GLN 25 -3.415 3.500 8.853
161 HB3 GLN 25 2HB GLN 25 -2.536 2.042 8.414
162 HG2 GLN 25 1HG GLN 25 -2.541 3.397 11.100
163 HG3 GLN 25 2HG GLN 25 -3.329 1.877 10.680
164 HE21 GLN 25 1HE2 GLN 25 -1.598 1.997 12.782
165 HE22 GLN 25 2HE2 GLN 25 -0.152 1.131 12.404
166 H LEU 26 H LEU 26 -2.721 5.293 7.138
167 HA LEU 26 HA LEU 26 -2.175 4.044 4.626
168 HB2 LEU 26 1HB LEU 26 -4.292 5.029 4.826
169 HB3 LEU 26 2HB LEU 26 -3.626 6.533 5.459
170 HG LEU 26 HG LEU 26 -2.581 6.808 3.121
171 HD11 LEU 26 1HD1 LEU 26 -4.194 4.393 2.780
172 HD12 LEU 26 2HD1 LEU 26 -2.858 5.015 1.812
173 HD13 LEU 26 3HD1 LEU 26 -4.489 5.638 1.565
174 HD21 LEU 26 3HD2 LEU 26 -5.576 6.960 3.165
175 HD22 LEU 26 1HD2 LEU 26 -4.418 8.063 2.421
176 HD23 LEU 26 2HD2 LEU 26 -4.586 8.014 4.176
177 H ILE 27 H ILE 27 -1.175 7.076 6.168
178 HA ILE 27 HA ILE 27 0.231 8.251 4.114
179 HB ILE 27 HB ILE 27 1.278 8.242 6.935
180 HG12 ILE 27 1HG1 ILE 27 -1.155 9.620 5.810
181 HG13 ILE 27 2HG1 ILE 27 -1.041 8.617 7.252
182 HG21 ILE 27 1HG2 ILE 27 2.328 10.193 6.405
183 HG22 ILE 27 2HG2 ILE 27 2.315 9.438 4.812
184 HG23 ILE 27 3HG2 ILE 27 1.108 10.657 5.219
185 HD11 ILE 27 3HD1 ILE 27 0.382 11.245 7.005
186 HD12 ILE 27 1HD1 ILE 27 -1.269 11.106 7.607
187 HD13 ILE 27 2HD1 ILE 27 0.051 10.308 8.462
188 H ILE 28 H ILE 28 1.398 5.821 6.427
189 HA ILE 28 HA ILE 28 4.038 5.707 5.410
190 HB ILE 28 HB ILE 28 2.538 3.545 6.893
191 HG12 ILE 28 1HG1 ILE 28 4.453 5.414 8.218
192 HG13 ILE 28 2HG1 ILE 28 2.825 5.991 7.877
193 HG21 ILE 28 1HG2 ILE 28 5.491 3.982 6.997
194 HG22 ILE 28 2HG2 ILE 28 4.563 2.516 7.307
195 HG23 ILE 28 3HG2 ILE 28 4.779 3.089 5.654
196 HD11 ILE 28 3HD1 ILE 28 1.853 4.502 9.341
197 HD12 ILE 28 1HD1 ILE 28 3.223 3.393 9.289
198 HD13 ILE 28 2HD1 ILE 28 3.354 4.918 10.167
199 H HIS 29 H HIS 29 1.057 4.103 4.539
200 HA HIS 29 HA HIS 29 2.243 2.075 2.926
201 HB2 HIS 29 1HB HIS 29 0.045 1.653 3.728
202 HB3 HIS 29 2HB HIS 29 -0.554 3.188 3.107
203 HD1 HIS 29 HD1 HIS 29 0.536 -0.224 1.928
204 HD2 HIS 29 HD2 HIS 29 -1.463 3.130 0.509
205 HE1 HIS 29 HE1 HIS 29 -0.420 -0.902 -0.297
206 H GLU 30 H GLU 30 0.642 5.161 2.165
207 HA GLU 30 HA GLU 30 0.831 5.100 -0.587
208 HB2 GLU 30 1HB GLU 30 1.179 7.519 1.193
209 HB3 GLU 30 2HB GLU 30 0.760 7.550 -0.514
210 HG2 GLU 30 1HG GLU 30 -1.345 6.478 -0.070
211 HG3 GLU 30 2HG GLU 30 -0.920 6.271 1.629
212 H ARG 31 H ARG 31 3.355 5.251 1.689
213 HA ARG 31 HA ARG 31 5.306 6.692 0.277
214 HB2 ARG 31 1HB ARG 31 5.621 4.416 2.241
215 HB3 ARG 31 2HB ARG 31 6.936 5.440 1.681
216 HG2 ARG 31 1HG ARG 31 5.792 7.396 2.641
217 HG3 ARG 31 2HG ARG 31 4.527 6.328 3.253
218 HD2 ARG 31 1HD ARG 31 6.024 6.717 5.052
219 HD3 ARG 31 2HD ARG 31 6.328 5.076 4.482
220 HE ARG 31 HE ARG 31 8.112 7.355 4.288
221 HH11 ARG 31 1HH1 ARG 31 7.384 4.102 3.283
222 HH12 ARG 31 2HH1 ARG 31 9.006 3.754 2.785
223 HH21 ARG 31 1HH2 ARG 31 10.252 6.909 3.635
224 HH22 ARG 31 2HH2 ARG 31 10.637 5.351 2.987
225 H ILE 32 H ILE 32 4.054 3.496 -0.140
226 HA ILE 32 HA ILE 32 6.221 2.351 -1.547
227 HB ILE 32 HB ILE 32 4.731 0.624 -2.222
228 HG12 ILE 32 1HG1 ILE 32 2.408 2.369 -1.388
229 HG13 ILE 32 2HG1 ILE 32 2.949 2.195 -3.054
230 HG21 ILE 32 1HG2 ILE 32 4.296 1.729 0.512
231 HG22 ILE 32 2HG2 ILE 32 3.371 0.320 -0.006
232 HG23 ILE 32 3HG2 ILE 32 5.134 0.261 0.011
233 HD11 ILE 32 3HD1 ILE 32 2.586 -0.306 -2.722
234 HD12 ILE 32 1HD1 ILE 32 1.693 0.146 -1.270
235 HD13 ILE 32 2HD1 ILE 32 1.158 0.721 -2.849
236 H HIS 33 H HIS 33 3.804 4.633 -2.444
237 HA HIS 33 HA HIS 33 4.307 4.231 -5.299
238 HB2 HIS 33 1HB HIS 33 2.377 6.154 -3.988
239 HB3 HIS 33 2HB HIS 33 2.429 5.700 -5.689
240 HD1 HIS 33 HD1 HIS 33 2.072 2.932 -6.000
241 HD2 HIS 33 HD2 HIS 33 0.502 4.778 -2.626
242 HE1 HIS 33 HE1 HIS 33 0.305 1.365 -5.137
243 H THR 34 H THR 34 4.507 6.748 -2.809
244 HA THR 34 HA THR 34 5.310 8.942 -4.144
245 HB THR 34 HB THR 34 6.663 9.606 -2.247
246 HG1 THR 34 HG1 THR 34 6.678 6.825 -1.731
247 HG21 THR 34 3HG2 THR 34 4.119 9.370 -2.068
248 HG22 THR 34 1HG2 THR 34 5.026 9.508 -0.563
249 HG23 THR 34 2HG2 THR 34 4.444 7.932 -1.101
250 H GLY 35 H GLY 35 7.322 6.106 -3.499
251 HA2 GLY 35 1HA GLY 35 9.801 7.015 -4.289
252 HA3 GLY 35 2HA GLY 35 9.238 5.368 -4.533
253 H GLU 36 H GLU 36 8.037 4.909 -6.512
254 HA GLU 36 HA GLU 36 9.239 6.290 -8.756
255 HB2 GLU 36 1HB GLU 36 9.156 3.843 -8.748
256 HB3 GLU 36 2HB GLU 36 7.400 3.891 -8.663
257 HG2 GLU 36 1HG GLU 36 7.771 3.488 -10.894
258 HG3 GLU 36 2HG GLU 36 7.571 5.239 -10.862
259 H SER 37 H SER 37 8.142 7.360 -10.389
260 HA SER 37 HA SER 37 5.719 8.671 -9.583
261 HB2 SER 37 1HB SER 37 7.746 9.562 -11.024
262 HB3 SER 37 2HB SER 37 6.803 8.904 -12.362
263 HG SER 37 HG SER 37 5.426 10.462 -10.522
264 H GLY 38 H GLY 38 3.733 8.691 -10.756
265 HA2 GLY 38 1HA GLY 38 3.066 6.062 -11.815
266 HA3 GLY 38 2HA GLY 38 1.931 7.337 -11.396
267 HA PRO 39 HA PRO 39 1.456 7.873 -15.755
268 HB2 PRO 39 1HB PRO 39 -0.014 10.153 -15.662
269 HB3 PRO 39 2HB PRO 39 -0.682 8.564 -15.274
270 HG2 PRO 39 1HG PRO 39 0.288 10.712 -13.429
271 HG3 PRO 39 2HG PRO 39 -1.160 9.697 -13.301
272 HD2 PRO 39 1HD PRO 39 1.098 9.197 -11.893
273 HD3 PRO 39 2HD PRO 39 0.017 7.906 -12.454
274 H SER 40 H SER 40 1.488 9.977 -17.249
275 HA SER 40 HA SER 40 4.146 11.089 -16.900
276 HB2 SER 40 1HB SER 40 3.324 10.167 -19.099
277 HB3 SER 40 2HB SER 40 2.229 11.547 -19.195
278 HG SER 40 HG SER 40 3.950 12.906 -19.354
279 H SER 41 H SER 41 2.656 12.101 -14.933
280 HA SER 41 HA SER 41 1.716 14.737 -15.809
281 HB2 SER 41 1HB SER 41 1.190 13.019 -13.426
282 HB3 SER 41 2HB SER 41 1.070 14.767 -13.230
283 HG SER 41 HG SER 41 -0.471 13.037 -14.807
284 H GLY 42 H GLY 42 3.987 13.187 -13.582
285 HA2 GLY 42 1HA GLY 42 6.176 14.117 -13.243
286 HA3 GLY 42 2HA GLY 42 5.495 15.714 -13.511
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -7.458 -11.320 -5.672
2 HA2 GLY 1 1HA GLY 1 -6.821 -9.140 -4.355
3 HA3 GLY 1 2HA GLY 1 -8.442 -9.795 -4.178
4 H SER 2 H SER 2 -6.416 -8.350 -2.365
5 HA SER 2 HA SER 2 -6.764 -10.170 -0.077
6 HB2 SER 2 1HB SER 2 -4.335 -8.633 -0.926
7 HB3 SER 2 2HB SER 2 -4.609 -8.946 0.787
8 HG SER 2 HG SER 2 -3.460 -10.664 0.076
9 H SER 3 H SER 3 -8.093 -9.317 1.364
10 HA SER 3 HA SER 3 -7.795 -6.608 2.271
11 HB2 SER 3 1HB SER 3 -10.115 -7.400 0.539
12 HB3 SER 3 2HB SER 3 -10.333 -6.188 1.801
13 HG SER 3 HG SER 3 -9.743 -5.298 -0.256
14 H GLY 4 H GLY 4 -8.684 -6.281 4.286
15 HA2 GLY 4 1HA GLY 4 -9.637 -8.705 5.615
16 HA3 GLY 4 2HA GLY 4 -9.057 -7.247 6.406
17 H SER 5 H SER 5 -10.684 -5.404 4.944
18 HA SER 5 HA SER 5 -12.695 -4.361 5.159
19 HB2 SER 5 1HB SER 5 -13.487 -7.222 4.711
20 HB3 SER 5 2HB SER 5 -14.722 -6.006 5.034
21 HG SER 5 HG SER 5 -12.791 -5.913 2.952
22 H SER 6 H SER 6 -11.426 -4.581 7.528
23 HA SER 6 HA SER 6 -13.542 -5.350 9.430
24 HB2 SER 6 1HB SER 6 -10.540 -5.250 9.783
25 HB3 SER 6 2HB SER 6 -11.671 -5.460 11.120
26 HG SER 6 HG SER 6 -11.082 -7.203 8.993
27 H GLY 7 H GLY 7 -14.533 -3.746 10.452
28 HA2 GLY 7 1HA GLY 7 -14.966 -1.686 11.371
29 HA3 GLY 7 2HA GLY 7 -13.229 -1.510 11.569
30 H GLN 8 H GLN 8 -15.029 0.584 10.898
31 HA GLN 8 HA GLN 8 -15.045 1.132 8.126
32 HB2 GLN 8 1HB GLN 8 -15.731 3.356 8.728
33 HB3 GLN 8 2HB GLN 8 -16.530 2.221 9.808
34 HG2 GLN 8 1HG GLN 8 -14.424 2.745 11.320
35 HG3 GLN 8 2HG GLN 8 -14.433 4.236 10.379
36 HE21 GLN 8 1HE2 GLN 8 -16.434 2.167 12.412
37 HE22 GLN 8 2HE2 GLN 8 -17.446 3.430 13.015
38 H LYS 9 H LYS 9 -13.634 2.180 6.819
39 HA LYS 9 HA LYS 9 -11.172 3.250 8.015
40 HB2 LYS 9 1HB LYS 9 -11.341 1.381 5.646
41 HB3 LYS 9 2HB LYS 9 -9.885 2.241 6.131
42 HG2 LYS 9 1HG LYS 9 -9.989 1.083 8.319
43 HG3 LYS 9 2HG LYS 9 -11.362 0.151 7.717
44 HD2 LYS 9 1HD LYS 9 -9.668 -0.337 5.731
45 HD3 LYS 9 2HD LYS 9 -8.483 -0.013 6.998
46 HE2 LYS 9 1HE LYS 9 -10.055 -1.656 8.362
47 HE3 LYS 9 2HE LYS 9 -10.445 -2.230 6.741
48 HZ1 LYS 9 3HZ LYS 9 -8.442 -3.169 6.509
49 HZ2 LYS 9 1HZ LYS 9 -8.357 -3.078 8.196
50 HZ3 LYS 9 2HZ LYS 9 -7.623 -1.887 7.247
51 HA PRO 10 HA PRO 10 -12.837 6.472 5.271
52 HB2 PRO 10 1HB PRO 10 -11.618 8.509 6.588
53 HB3 PRO 10 2HB PRO 10 -13.145 7.797 7.123
54 HG2 PRO 10 1HG PRO 10 -10.366 7.286 8.112
55 HG3 PRO 10 2HG PRO 10 -11.863 7.495 9.039
56 HD2 PRO 10 1HD PRO 10 -10.793 5.060 8.531
57 HD3 PRO 10 2HD PRO 10 -12.543 5.324 8.672
58 H TYR 11 H TYR 11 -9.513 6.118 6.455
59 HA TYR 11 HA TYR 11 -8.361 7.649 4.332
60 HB2 TYR 11 1HB TYR 11 -6.941 5.653 6.096
61 HB3 TYR 11 2HB TYR 11 -6.241 7.027 5.247
62 HD1 TYR 11 HD1 TYR 11 -8.382 6.030 8.082
63 HD2 TYR 11 HD2 TYR 11 -6.295 9.218 6.190
64 HE1 TYR 11 HE1 TYR 11 -8.708 7.422 10.083
65 HE2 TYR 11 HE2 TYR 11 -6.614 10.619 8.186
66 HH TYR 11 HH TYR 11 -7.368 10.705 10.274
67 H VAL 12 H VAL 12 -8.757 6.882 2.325
68 HA VAL 12 HA VAL 12 -8.000 4.087 1.769
69 HB VAL 12 HB VAL 12 -9.967 5.825 0.272
70 HG11 VAL 12 1HG1 VAL 12 -8.485 4.038 -0.956
71 HG12 VAL 12 2HG1 VAL 12 -9.629 2.907 -0.230
72 HG13 VAL 12 3HG1 VAL 12 -10.207 4.179 -1.308
73 HG21 VAL 12 3HG2 VAL 12 -11.261 5.167 2.010
74 HG22 VAL 12 1HG2 VAL 12 -11.384 3.687 1.059
75 HG23 VAL 12 2HG2 VAL 12 -10.235 3.785 2.393
76 H CYS 13 H CYS 13 -6.454 3.699 0.293
77 HA CYS 13 HA CYS 13 -4.855 5.857 -0.658
78 HB2 CYS 13 1HB CYS 13 -4.161 3.423 -0.053
79 HB3 CYS 13 2HB CYS 13 -4.646 3.049 -1.704
80 H ASN 14 H ASN 14 -4.894 6.899 -2.551
81 HA ASN 14 HA ASN 14 -6.996 6.236 -4.445
82 HB2 ASN 14 1HB ASN 14 -5.178 8.598 -4.057
83 HB3 ASN 14 2HB ASN 14 -6.076 8.398 -5.558
84 HD21 ASN 14 1HD2 ASN 14 -6.982 10.477 -4.822
85 HD22 ASN 14 2HD2 ASN 14 -8.356 10.439 -3.775
86 H GLU 15 H GLU 15 -3.867 5.311 -4.013
87 HA GLU 15 HA GLU 15 -3.103 5.316 -6.819
88 HB2 GLU 15 1HB GLU 15 -1.736 4.544 -4.264
89 HB3 GLU 15 2HB GLU 15 -1.095 3.997 -5.806
90 HG2 GLU 15 1HG GLU 15 -1.515 6.855 -4.964
91 HG3 GLU 15 2HG GLU 15 0.028 6.010 -5.079
92 H CYS 16 H CYS 16 -3.821 2.955 -4.267
93 HA CYS 16 HA CYS 16 -4.246 0.938 -6.374
94 HB2 CYS 16 1HB CYS 16 -3.648 -0.774 -4.694
95 HB3 CYS 16 2HB CYS 16 -2.323 0.342 -5.008
96 H GLY 17 H GLY 17 -5.319 2.146 -3.226
97 HA2 GLY 17 1HA GLY 17 -7.756 2.459 -2.999
98 HA3 GLY 17 2HA GLY 17 -7.939 0.883 -3.753
99 H LYS 18 H LYS 18 -5.368 1.280 -1.499
100 HA LYS 18 HA LYS 18 -6.558 -0.668 0.261
101 HB2 LYS 18 1HB LYS 18 -4.040 -0.335 -0.426
102 HB3 LYS 18 2HB LYS 18 -4.033 0.797 0.921
103 HG2 LYS 18 1HG LYS 18 -4.453 -0.872 2.487
104 HG3 LYS 18 2HG LYS 18 -5.043 -2.001 1.265
105 HD2 LYS 18 1HD LYS 18 -2.793 -2.222 0.360
106 HD3 LYS 18 2HD LYS 18 -2.191 -1.049 1.533
107 HE2 LYS 18 1HE LYS 18 -3.304 -2.750 3.236
108 HE3 LYS 18 2HE LYS 18 -3.013 -3.879 1.913
109 HZ1 LYS 18 3HZ LYS 18 -1.205 -3.468 3.721
110 HZ2 LYS 18 1HZ LYS 18 -0.833 -2.115 2.777
111 HZ3 LYS 18 2HZ LYS 18 -0.758 -3.663 2.102
112 H ALA 19 H ALA 19 -7.702 -0.265 2.036
113 HA ALA 19 HA ALA 19 -7.913 2.497 2.973
114 HB1 ALA 19 3HB ALA 19 -9.760 1.207 4.428
115 HB2 ALA 19 1HB ALA 19 -10.063 1.825 2.803
116 HB3 ALA 19 2HB ALA 19 -9.665 0.122 3.040
117 H PHE 20 H PHE 20 -7.691 3.063 5.166
118 HA PHE 20 HA PHE 20 -6.504 1.074 6.950
119 HB2 PHE 20 1HB PHE 20 -5.233 3.774 6.463
120 HB3 PHE 20 2HB PHE 20 -4.641 2.508 7.533
121 HD1 PHE 20 HD1 PHE 20 -5.336 3.276 3.972
122 HD2 PHE 20 HD2 PHE 20 -3.176 0.878 6.747
123 HE1 PHE 20 HE1 PHE 20 -4.000 2.349 2.126
124 HE2 PHE 20 HE2 PHE 20 -1.836 -0.052 4.905
125 HZ PHE 20 HZ PHE 20 -2.247 0.683 2.591
126 H GLY 21 H GLY 21 -7.899 1.087 8.595
127 HA2 GLY 21 1HA GLY 21 -9.713 2.970 9.348
128 HA3 GLY 21 2HA GLY 21 -8.946 1.879 10.493
129 H LEU 22 H LEU 22 -6.295 3.186 9.735
130 HA LEU 22 HA LEU 22 -6.637 5.574 11.427
131 HB2 LEU 22 1HB LEU 22 -4.605 3.423 11.369
132 HB3 LEU 22 2HB LEU 22 -4.025 5.055 11.692
133 HG LEU 22 HG LEU 22 -6.104 3.574 13.302
134 HD11 LEU 22 1HD1 LEU 22 -3.545 2.953 13.351
135 HD12 LEU 22 2HD1 LEU 22 -4.495 3.050 14.833
136 HD13 LEU 22 3HD1 LEU 22 -3.452 4.392 14.366
137 HD21 LEU 22 3HD2 LEU 22 -4.957 6.339 13.475
138 HD22 LEU 22 1HD2 LEU 22 -5.590 5.517 14.901
139 HD23 LEU 22 2HD2 LEU 22 -6.646 5.831 13.523
140 H LYS 23 H LYS 23 -5.202 7.370 11.018
141 HA LYS 23 HA LYS 23 -4.988 7.974 8.246
142 HB2 LYS 23 1HB LYS 23 -5.460 9.697 9.929
143 HB3 LYS 23 2HB LYS 23 -3.876 9.439 10.647
144 HG2 LYS 23 1HG LYS 23 -2.801 10.225 8.617
145 HG3 LYS 23 2HG LYS 23 -4.376 10.431 7.847
146 HD2 LYS 23 1HD LYS 23 -4.982 12.104 9.519
147 HD3 LYS 23 2HD LYS 23 -3.423 11.883 10.317
148 HE2 LYS 23 1HE LYS 23 -2.391 12.506 8.060
149 HE3 LYS 23 2HE LYS 23 -4.001 13.072 7.619
150 HZ1 LYS 23 3HZ LYS 23 -3.027 14.962 8.454
151 HZ2 LYS 23 1HZ LYS 23 -2.155 14.136 9.646
152 HZ3 LYS 23 2HZ LYS 23 -3.819 14.374 9.829
153 H SER 24 H SER 24 -2.401 8.072 10.698
154 HA SER 24 HA SER 24 -0.227 8.145 9.069
155 HB2 SER 24 1HB SER 24 1.065 7.451 10.886
156 HB3 SER 24 2HB SER 24 -0.392 8.062 11.669
157 HG SER 24 HG SER 24 0.378 5.382 11.216
158 H GLN 25 H GLN 25 -2.124 5.299 9.919
159 HA GLN 25 HA GLN 25 -0.531 3.270 8.966
160 HB2 GLN 25 1HB GLN 25 -3.524 3.607 8.925
161 HB3 GLN 25 2HB GLN 25 -2.746 2.132 8.367
162 HG2 GLN 25 1HG GLN 25 -2.625 3.311 11.131
163 HG3 GLN 25 2HG GLN 25 -3.460 1.840 10.633
164 HE21 GLN 25 1HE2 GLN 25 -0.978 2.760 12.359
165 HE22 GLN 25 2HE2 GLN 25 0.164 1.508 12.026
166 H LEU 26 H LEU 26 -2.682 5.397 7.133
167 HA LEU 26 HA LEU 26 -2.171 4.091 4.632
168 HB2 LEU 26 1HB LEU 26 -4.256 5.177 4.841
169 HB3 LEU 26 2HB LEU 26 -3.506 6.670 5.400
170 HG LEU 26 HG LEU 26 -2.466 6.777 3.044
171 HD11 LEU 26 1HD1 LEU 26 -4.813 5.339 2.030
172 HD12 LEU 26 2HD1 LEU 26 -3.573 4.319 2.757
173 HD13 LEU 26 3HD1 LEU 26 -3.159 5.392 1.421
174 HD21 LEU 26 3HD2 LEU 26 -5.302 7.189 2.608
175 HD22 LEU 26 1HD2 LEU 26 -3.988 8.363 2.691
176 HD23 LEU 26 2HD2 LEU 26 -4.773 7.812 4.171
177 H ILE 27 H ILE 27 -1.093 7.105 6.162
178 HA ILE 27 HA ILE 27 0.393 8.218 4.142
179 HB ILE 27 HB ILE 27 1.256 8.126 7.034
180 HG12 ILE 27 1HG1 ILE 27 -0.639 10.019 5.626
181 HG13 ILE 27 2HG1 ILE 27 -1.076 8.841 6.859
182 HG21 ILE 27 1HG2 ILE 27 2.475 9.251 4.783
183 HG22 ILE 27 2HG2 ILE 27 1.729 10.597 5.643
184 HG23 ILE 27 3HG2 ILE 27 2.872 9.544 6.476
185 HD11 ILE 27 3HD1 ILE 27 0.773 11.175 7.289
186 HD12 ILE 27 1HD1 ILE 27 -0.937 11.140 7.717
187 HD13 ILE 27 2HD1 ILE 27 0.194 10.045 8.512
188 H ILE 28 H ILE 28 1.424 5.710 6.433
189 HA ILE 28 HA ILE 28 4.073 5.494 5.472
190 HB ILE 28 HB ILE 28 2.405 3.405 6.880
191 HG12 ILE 28 1HG1 ILE 28 4.509 5.035 8.232
192 HG13 ILE 28 2HG1 ILE 28 2.949 5.787 7.919
193 HG21 ILE 28 1HG2 ILE 28 4.567 2.748 5.606
194 HG22 ILE 28 2HG2 ILE 28 5.390 3.551 6.942
195 HG23 ILE 28 3HG2 ILE 28 4.330 2.178 7.258
196 HD11 ILE 28 3HD1 ILE 28 3.070 4.832 10.156
197 HD12 ILE 28 1HD1 ILE 28 1.836 4.038 9.179
198 HD13 ILE 28 2HD1 ILE 28 3.384 3.242 9.462
199 H HIS 29 H HIS 29 1.049 4.007 4.508
200 HA HIS 29 HA HIS 29 2.200 2.008 2.839
201 HB2 HIS 29 1HB HIS 29 -0.039 1.679 3.644
202 HB3 HIS 29 2HB HIS 29 -0.572 3.205 2.947
203 HD1 HIS 29 HD1 HIS 29 0.588 -0.233 1.869
204 HD2 HIS 29 HD2 HIS 29 -1.504 3.035 0.383
205 HE1 HIS 29 HE1 HIS 29 -0.333 -0.977 -0.350
206 H GLU 30 H GLU 30 0.680 5.154 2.153
207 HA GLU 30 HA GLU 30 0.902 5.187 -0.591
208 HB2 GLU 30 1HB GLU 30 1.313 7.523 1.283
209 HB3 GLU 30 2HB GLU 30 0.934 7.640 -0.429
210 HG2 GLU 30 1HG GLU 30 -1.225 6.685 -0.091
211 HG3 GLU 30 2HG GLU 30 -0.848 6.300 1.588
212 H ARG 31 H ARG 31 3.411 5.226 1.724
213 HA ARG 31 HA ARG 31 5.425 6.628 0.390
214 HB2 ARG 31 1HB ARG 31 5.621 4.245 2.239
215 HB3 ARG 31 2HB ARG 31 6.996 5.210 1.721
216 HG2 ARG 31 1HG ARG 31 6.065 7.169 2.802
217 HG3 ARG 31 2HG ARG 31 4.632 6.250 3.267
218 HD2 ARG 31 1HD ARG 31 5.936 6.220 5.192
219 HD3 ARG 31 2HD ARG 31 6.292 4.668 4.436
220 HE ARG 31 HE ARG 31 8.095 6.912 4.752
221 HH11 ARG 31 1HH1 ARG 31 7.452 3.877 3.172
222 HH12 ARG 31 2HH1 ARG 31 9.113 3.582 2.777
223 HH21 ARG 31 1HH2 ARG 31 10.285 6.535 4.237
224 HH22 ARG 31 2HH2 ARG 31 10.723 5.094 3.384
225 H ILE 32 H ILE 32 4.090 3.477 -0.176
226 HA ILE 32 HA ILE 32 6.219 2.360 -1.657
227 HB ILE 32 HB ILE 32 4.680 0.708 -2.417
228 HG12 ILE 32 1HG1 ILE 32 2.424 2.483 -1.465
229 HG13 ILE 32 2HG1 ILE 32 2.920 2.332 -3.147
230 HG21 ILE 32 1HG2 ILE 32 3.459 0.145 -0.267
231 HG22 ILE 32 2HG2 ILE 32 5.203 0.377 -0.145
232 HG23 ILE 32 3HG2 ILE 32 4.104 1.655 0.376
233 HD11 ILE 32 3HD1 ILE 32 2.532 -0.230 -2.658
234 HD12 ILE 32 1HD1 ILE 32 1.461 0.421 -1.417
235 HD13 ILE 32 2HD1 ILE 32 1.209 0.844 -3.111
236 H HIS 33 H HIS 33 3.602 4.522 -2.505
237 HA HIS 33 HA HIS 33 4.206 4.334 -5.346
238 HB2 HIS 33 1HB HIS 33 2.223 6.155 -3.972
239 HB3 HIS 33 2HB HIS 33 2.290 5.755 -5.686
240 HD1 HIS 33 HD1 HIS 33 1.959 3.018 -6.116
241 HD2 HIS 33 HD2 HIS 33 0.420 4.666 -2.626
242 HE1 HIS 33 HE1 HIS 33 0.239 1.375 -5.298
243 H THR 34 H THR 34 4.434 6.664 -2.700
244 HA THR 34 HA THR 34 5.142 8.975 -3.908
245 HB THR 34 HB THR 34 6.563 9.515 -2.000
246 HG1 THR 34 HG1 THR 34 6.415 6.715 -1.505
247 HG21 THR 34 3HG2 THR 34 4.874 8.455 -0.187
248 HG22 THR 34 1HG2 THR 34 3.935 8.210 -1.659
249 HG23 THR 34 2HG2 THR 34 4.463 9.831 -1.210
250 H GLY 35 H GLY 35 7.244 6.159 -3.466
251 HA2 GLY 35 1HA GLY 35 9.640 7.282 -4.371
252 HA3 GLY 35 2HA GLY 35 9.227 5.576 -4.461
253 H GLU 36 H GLU 36 10.692 6.115 -6.445
254 HA GLU 36 HA GLU 36 8.961 6.886 -8.700
255 HB2 GLU 36 1HB GLU 36 11.171 8.153 -8.161
256 HB3 GLU 36 2HB GLU 36 11.954 6.749 -8.873
257 HG2 GLU 36 1HG GLU 36 9.773 8.061 -10.400
258 HG3 GLU 36 2HG GLU 36 11.334 8.873 -10.301
259 H SER 37 H SER 37 8.171 5.177 -9.725
260 HA SER 37 HA SER 37 9.958 2.887 -10.210
261 HB2 SER 37 1HB SER 37 6.991 2.746 -9.622
262 HB3 SER 37 2HB SER 37 8.040 1.375 -9.983
263 HG SER 37 HG SER 37 8.230 3.114 -7.747
264 H GLY 38 H GLY 38 8.915 1.434 -12.004
265 HA2 GLY 38 1HA GLY 38 8.079 1.218 -14.150
266 HA3 GLY 38 2HA GLY 38 7.376 2.821 -13.997
267 HA PRO 39 HA PRO 39 11.524 2.678 -16.458
268 HB2 PRO 39 1HB PRO 39 10.664 2.050 -18.956
269 HB3 PRO 39 2HB PRO 39 11.218 0.836 -17.797
270 HG2 PRO 39 1HG PRO 39 8.424 1.648 -18.499
271 HG3 PRO 39 2HG PRO 39 9.087 0.022 -18.249
272 HD2 PRO 39 1HD PRO 39 7.658 1.321 -16.350
273 HD3 PRO 39 2HD PRO 39 8.969 0.191 -15.953
274 H SER 40 H SER 40 8.329 3.905 -16.886
275 HA SER 40 HA SER 40 9.285 6.505 -17.551
276 HB2 SER 40 1HB SER 40 8.188 4.761 -19.719
277 HB3 SER 40 2HB SER 40 7.802 6.482 -19.740
278 HG SER 40 HG SER 40 10.281 6.567 -19.346
279 H SER 41 H SER 41 7.658 8.098 -17.444
280 HA SER 41 HA SER 41 5.178 7.140 -16.191
281 HB2 SER 41 1HB SER 41 6.660 8.674 -14.872
282 HB3 SER 41 2HB SER 41 6.361 9.923 -16.079
283 HG SER 41 HG SER 41 4.083 9.624 -15.581
284 H GLY 42 H GLY 42 6.235 9.882 -18.225
285 HA2 GLY 42 1HA GLY 42 5.291 10.714 -20.167
286 HA3 GLY 42 2HA GLY 42 4.148 9.379 -20.140
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -6.119 -19.981 6.537
2 HA2 GLY 1 1HA GLY 1 -4.977 -17.972 6.146
3 HA3 GLY 1 2HA GLY 1 -5.000 -18.320 4.423
4 H SER 2 H SER 2 -6.371 -16.510 6.907
5 HA SER 2 HA SER 2 -8.680 -15.794 5.223
6 HB2 SER 2 1HB SER 2 -9.250 -16.697 7.468
7 HB3 SER 2 2HB SER 2 -8.350 -15.371 8.203
8 HG SER 2 HG SER 2 -10.111 -14.431 6.393
9 H SER 3 H SER 3 -8.423 -13.961 4.150
10 HA SER 3 HA SER 3 -7.060 -11.722 5.481
11 HB2 SER 3 1HB SER 3 -6.706 -12.473 2.569
12 HB3 SER 3 2HB SER 3 -5.941 -11.119 3.401
13 HG SER 3 HG SER 3 -5.278 -13.100 4.859
14 H GLY 4 H GLY 4 -7.408 -9.666 3.964
15 HA2 GLY 4 1HA GLY 4 -9.072 -8.701 2.398
16 HA3 GLY 4 2HA GLY 4 -10.281 -9.630 3.271
17 H SER 5 H SER 5 -10.870 -7.084 3.047
18 HA SER 5 HA SER 5 -10.295 -5.983 5.714
19 HB2 SER 5 1HB SER 5 -8.993 -4.732 4.034
20 HB3 SER 5 2HB SER 5 -10.478 -4.384 3.148
21 HG SER 5 HG SER 5 -10.242 -2.637 4.398
22 H SER 6 H SER 6 -12.259 -6.726 6.513
23 HA SER 6 HA SER 6 -14.676 -5.595 5.270
24 HB2 SER 6 1HB SER 6 -14.377 -8.155 5.666
25 HB3 SER 6 2HB SER 6 -14.737 -7.764 7.348
26 HG SER 6 HG SER 6 -16.709 -8.053 6.581
27 H GLY 7 H GLY 7 -14.234 -3.535 6.286
28 HA2 GLY 7 1HA GLY 7 -15.598 -3.265 8.781
29 HA3 GLY 7 2HA GLY 7 -13.867 -3.031 8.969
30 H GLN 8 H GLN 8 -14.356 -0.860 9.631
31 HA GLN 8 HA GLN 8 -15.187 0.910 7.435
32 HB2 GLN 8 1HB GLN 8 -15.783 2.540 9.088
33 HB3 GLN 8 2HB GLN 8 -16.491 1.003 9.566
34 HG2 GLN 8 1HG GLN 8 -14.651 0.667 11.154
35 HG3 GLN 8 2HG GLN 8 -13.990 2.235 10.697
36 HE21 GLN 8 1HE2 GLN 8 -14.706 1.541 13.309
37 HE22 GLN 8 2HE2 GLN 8 -16.031 2.537 13.796
38 H LYS 9 H LYS 9 -13.717 2.147 6.481
39 HA LYS 9 HA LYS 9 -11.408 3.112 7.957
40 HB2 LYS 9 1HB LYS 9 -11.097 1.473 5.435
41 HB3 LYS 9 2HB LYS 9 -9.800 2.305 6.284
42 HG2 LYS 9 1HG LYS 9 -9.968 0.849 8.147
43 HG3 LYS 9 2HG LYS 9 -11.477 0.155 7.551
44 HD2 LYS 9 1HD LYS 9 -10.306 -0.825 5.661
45 HD3 LYS 9 2HD LYS 9 -8.796 -0.076 6.183
46 HE2 LYS 9 1HE LYS 9 -10.330 -1.935 7.971
47 HE3 LYS 9 2HE LYS 9 -9.193 -2.544 6.770
48 HZ1 LYS 9 3HZ LYS 9 -7.530 -0.989 7.834
49 HZ2 LYS 9 1HZ LYS 9 -7.981 -2.341 8.747
50 HZ3 LYS 9 2HZ LYS 9 -8.629 -0.822 9.109
51 HA PRO 10 HA PRO 10 -12.885 6.453 5.310
52 HB2 PRO 10 1HB PRO 10 -11.621 8.409 6.706
53 HB3 PRO 10 2HB PRO 10 -13.156 7.700 7.221
54 HG2 PRO 10 1HG PRO 10 -10.380 7.098 8.165
55 HG3 PRO 10 2HG PRO 10 -11.866 7.292 9.113
56 HD2 PRO 10 1HD PRO 10 -10.843 4.864 8.489
57 HD3 PRO 10 2HD PRO 10 -12.587 5.151 8.655
58 H TYR 11 H TYR 11 -9.554 6.050 6.478
59 HA TYR 11 HA TYR 11 -8.402 7.626 4.392
60 HB2 TYR 11 1HB TYR 11 -7.008 5.577 6.119
61 HB3 TYR 11 2HB TYR 11 -6.275 6.933 5.270
62 HD1 TYR 11 HD1 TYR 11 -8.393 5.972 8.128
63 HD2 TYR 11 HD2 TYR 11 -6.303 9.138 6.202
64 HE1 TYR 11 HE1 TYR 11 -8.673 7.369 10.133
65 HE2 TYR 11 HE2 TYR 11 -6.575 10.543 8.202
66 HH TYR 11 HH TYR 11 -7.184 10.563 10.369
67 H VAL 12 H VAL 12 -8.752 6.938 2.357
68 HA VAL 12 HA VAL 12 -8.083 4.138 1.723
69 HB VAL 12 HB VAL 12 -9.914 6.010 0.215
70 HG11 VAL 12 1HG1 VAL 12 -10.452 3.659 -0.869
71 HG12 VAL 12 2HG1 VAL 12 -9.148 4.681 -1.477
72 HG13 VAL 12 3HG1 VAL 12 -8.783 3.332 -0.401
73 HG21 VAL 12 3HG2 VAL 12 -10.758 5.095 2.405
74 HG22 VAL 12 1HG2 VAL 12 -11.726 4.683 0.989
75 HG23 VAL 12 2HG2 VAL 12 -10.637 3.487 1.692
76 H CYS 13 H CYS 13 -6.540 3.722 0.242
77 HA CYS 13 HA CYS 13 -4.836 5.868 -0.597
78 HB2 CYS 13 1HB CYS 13 -4.223 3.406 0.031
79 HB3 CYS 13 2HB CYS 13 -4.610 3.070 -1.654
80 H ASN 14 H ASN 14 -5.100 7.069 -2.349
81 HA ASN 14 HA ASN 14 -7.023 6.363 -4.365
82 HB2 ASN 14 1HB ASN 14 -5.125 8.705 -4.118
83 HB3 ASN 14 2HB ASN 14 -6.318 8.534 -5.403
84 HD21 ASN 14 1HD2 ASN 14 -5.963 10.493 -3.173
85 HD22 ASN 14 2HD2 ASN 14 -7.496 10.532 -2.377
86 H GLU 15 H GLU 15 -3.934 5.395 -3.858
87 HA GLU 15 HA GLU 15 -3.083 5.448 -6.642
88 HB2 GLU 15 1HB GLU 15 -1.785 4.652 -4.058
89 HB3 GLU 15 2HB GLU 15 -1.103 4.118 -5.588
90 HG2 GLU 15 1HG GLU 15 0.074 6.056 -5.081
91 HG3 GLU 15 2HG GLU 15 -1.128 6.577 -6.261
92 H CYS 16 H CYS 16 -3.825 3.047 -4.129
93 HA CYS 16 HA CYS 16 -4.214 1.059 -6.271
94 HB2 CYS 16 1HB CYS 16 -3.649 -0.671 -4.590
95 HB3 CYS 16 2HB CYS 16 -2.318 0.443 -4.885
96 H GLY 17 H GLY 17 -5.404 2.360 -3.225
97 HA2 GLY 17 1HA GLY 17 -7.820 2.618 -3.004
98 HA3 GLY 17 2HA GLY 17 -7.992 1.055 -3.789
99 H LYS 18 H LYS 18 -5.438 1.275 -1.535
100 HA LYS 18 HA LYS 18 -6.700 -0.646 0.186
101 HB2 LYS 18 1HB LYS 18 -4.150 -0.281 -0.463
102 HB3 LYS 18 2HB LYS 18 -4.176 0.735 0.973
103 HG2 LYS 18 1HG LYS 18 -4.473 -1.026 2.388
104 HG3 LYS 18 2HG LYS 18 -5.316 -1.999 1.179
105 HD2 LYS 18 1HD LYS 18 -3.227 -2.429 0.026
106 HD3 LYS 18 2HD LYS 18 -2.362 -1.377 1.148
107 HE2 LYS 18 1HE LYS 18 -1.931 -3.503 1.978
108 HE3 LYS 18 2HE LYS 18 -3.274 -2.950 2.976
109 HZ1 LYS 18 3HZ LYS 18 -3.165 -5.120 1.083
110 HZ2 LYS 18 1HZ LYS 18 -4.536 -4.142 0.918
111 HZ3 LYS 18 2HZ LYS 18 -4.199 -4.884 2.400
112 H ALA 19 H ALA 19 -7.783 -0.294 2.017
113 HA ALA 19 HA ALA 19 -8.022 2.461 2.974
114 HB1 ALA 19 3HB ALA 19 -9.715 0.549 4.328
115 HB2 ALA 19 1HB ALA 19 -10.152 1.982 3.396
116 HB3 ALA 19 2HB ALA 19 -9.888 0.442 2.576
117 H PHE 20 H PHE 20 -7.674 3.050 5.115
118 HA PHE 20 HA PHE 20 -6.491 1.045 6.894
119 HB2 PHE 20 1HB PHE 20 -5.231 3.751 6.416
120 HB3 PHE 20 2HB PHE 20 -4.611 2.458 7.437
121 HD1 PHE 20 HD1 PHE 20 -5.414 3.307 3.916
122 HD2 PHE 20 HD2 PHE 20 -3.159 0.860 6.570
123 HE1 PHE 20 HE1 PHE 20 -4.130 2.428 2.009
124 HE2 PHE 20 HE2 PHE 20 -1.872 -0.022 4.668
125 HZ PHE 20 HZ PHE 20 -2.356 0.762 2.384
126 H GLY 21 H GLY 21 -7.915 1.053 8.523
127 HA2 GLY 21 1HA GLY 21 -9.689 2.950 9.318
128 HA3 GLY 21 2HA GLY 21 -8.928 1.837 10.445
129 H LEU 22 H LEU 22 -6.265 3.115 9.690
130 HA LEU 22 HA LEU 22 -6.566 5.489 11.409
131 HB2 LEU 22 1HB LEU 22 -4.556 3.316 11.307
132 HB3 LEU 22 2HB LEU 22 -3.961 4.939 11.655
133 HG LEU 22 HG LEU 22 -6.042 3.442 13.249
134 HD11 LEU 22 1HD1 LEU 22 -4.314 2.465 14.240
135 HD12 LEU 22 2HD1 LEU 22 -3.815 4.056 14.816
136 HD13 LEU 22 3HD1 LEU 22 -3.164 3.422 13.304
137 HD21 LEU 22 3HD2 LEU 22 -4.908 6.207 13.434
138 HD22 LEU 22 1HD2 LEU 22 -5.483 5.369 14.875
139 HD23 LEU 22 2HD2 LEU 22 -6.588 5.679 13.536
140 H LYS 23 H LYS 23 -5.206 7.303 10.982
141 HA LYS 23 HA LYS 23 -4.957 7.902 8.217
142 HB2 LYS 23 1HB LYS 23 -5.430 9.553 10.070
143 HB3 LYS 23 2HB LYS 23 -3.733 9.430 10.516
144 HG2 LYS 23 1HG LYS 23 -3.028 10.394 8.479
145 HG3 LYS 23 2HG LYS 23 -4.633 10.231 7.764
146 HD2 LYS 23 1HD LYS 23 -5.509 11.844 9.398
147 HD3 LYS 23 2HD LYS 23 -3.889 12.021 10.078
148 HE2 LYS 23 1HE LYS 23 -3.906 13.805 8.653
149 HE3 LYS 23 2HE LYS 23 -3.278 12.566 7.568
150 HZ1 LYS 23 3HZ LYS 23 -5.949 12.318 7.270
151 HZ2 LYS 23 1HZ LYS 23 -4.936 13.198 6.239
152 HZ3 LYS 23 2HZ LYS 23 -5.777 13.989 7.474
153 H SER 24 H SER 24 -2.410 7.951 10.716
154 HA SER 24 HA SER 24 -0.205 8.090 9.131
155 HB2 SER 24 1HB SER 24 -0.701 6.742 11.759
156 HB3 SER 24 2HB SER 24 0.863 6.540 10.971
157 HG SER 24 HG SER 24 1.285 8.638 11.223
158 H GLN 25 H GLN 25 -2.047 5.177 9.918
159 HA GLN 25 HA GLN 25 -0.424 3.221 8.871
160 HB2 GLN 25 1HB GLN 25 -3.434 3.443 8.805
161 HB3 GLN 25 2HB GLN 25 -2.560 1.986 8.353
162 HG2 GLN 25 1HG GLN 25 -2.555 3.317 11.052
163 HG3 GLN 25 2HG GLN 25 -3.361 1.810 10.619
164 HE21 GLN 25 1HE2 GLN 25 -1.576 1.970 12.717
165 HE22 GLN 25 2HE2 GLN 25 -0.159 1.061 12.329
166 H LEU 26 H LEU 26 -2.594 5.409 7.156
167 HA LEU 26 HA LEU 26 -2.100 4.170 4.600
168 HB2 LEU 26 1HB LEU 26 -4.241 5.140 4.906
169 HB3 LEU 26 2HB LEU 26 -3.545 6.665 5.450
170 HG LEU 26 HG LEU 26 -2.606 6.890 3.089
171 HD11 LEU 26 1HD1 LEU 26 -3.242 5.502 1.419
172 HD12 LEU 26 2HD1 LEU 26 -4.801 5.140 2.159
173 HD13 LEU 26 3HD1 LEU 26 -3.341 4.346 2.748
174 HD21 LEU 26 3HD2 LEU 26 -5.609 6.903 3.312
175 HD22 LEU 26 1HD2 LEU 26 -4.593 7.930 2.300
176 HD23 LEU 26 2HD2 LEU 26 -4.571 8.121 4.054
177 H ILE 27 H ILE 27 -0.997 7.019 6.351
178 HA ILE 27 HA ILE 27 0.368 8.308 4.282
179 HB ILE 27 HB ILE 27 1.310 8.269 7.142
180 HG12 ILE 27 1HG1 ILE 27 -1.006 9.759 5.903
181 HG13 ILE 27 2HG1 ILE 27 -1.044 8.671 7.286
182 HG21 ILE 27 1HG2 ILE 27 2.184 9.617 4.849
183 HG22 ILE 27 2HG2 ILE 27 1.325 10.816 5.814
184 HG23 ILE 27 3HG2 ILE 27 2.666 9.914 6.520
185 HD11 ILE 27 3HD1 ILE 27 -0.827 11.444 7.316
186 HD12 ILE 27 1HD1 ILE 27 -0.645 10.341 8.679
187 HD13 ILE 27 2HD1 ILE 27 0.772 10.847 7.759
188 H ILE 28 H ILE 28 1.304 5.623 6.337
189 HA ILE 28 HA ILE 28 4.043 5.616 5.460
190 HB ILE 28 HB ILE 28 2.529 3.422 6.878
191 HG12 ILE 28 1HG1 ILE 28 4.379 5.318 8.266
192 HG13 ILE 28 2HG1 ILE 28 2.732 5.836 7.926
193 HG21 ILE 28 1HG2 ILE 28 5.478 3.913 7.020
194 HG22 ILE 28 2HG2 ILE 28 4.575 2.437 7.357
195 HG23 ILE 28 3HG2 ILE 28 4.782 2.983 5.693
196 HD11 ILE 28 3HD1 ILE 28 3.409 4.642 10.186
197 HD12 ILE 28 1HD1 ILE 28 1.829 4.414 9.438
198 HD13 ILE 28 2HD1 ILE 28 3.091 3.201 9.221
199 H HIS 29 H HIS 29 1.063 4.090 4.492
200 HA HIS 29 HA HIS 29 2.284 2.084 2.852
201 HB2 HIS 29 1HB HIS 29 0.089 1.630 3.693
202 HB3 HIS 29 2HB HIS 29 -0.541 3.137 3.034
203 HD1 HIS 29 HD1 HIS 29 0.669 -0.263 1.924
204 HD2 HIS 29 HD2 HIS 29 -1.449 2.991 0.444
205 HE1 HIS 29 HE1 HIS 29 -0.256 -1.014 -0.290
206 H GLU 30 H GLU 30 0.564 5.126 2.159
207 HA GLU 30 HA GLU 30 0.699 5.168 -0.573
208 HB2 GLU 30 1HB GLU 30 1.093 7.485 1.327
209 HB3 GLU 30 2HB GLU 30 0.773 7.653 -0.393
210 HG2 GLU 30 1HG GLU 30 -1.389 6.643 -0.149
211 HG3 GLU 30 2HG GLU 30 -1.068 6.273 1.545
212 H ARG 31 H ARG 31 3.305 5.421 1.666
213 HA ARG 31 HA ARG 31 5.217 6.792 0.182
214 HB2 ARG 31 1HB ARG 31 5.580 4.497 2.115
215 HB3 ARG 31 2HB ARG 31 6.888 5.505 1.512
216 HG2 ARG 31 1HG ARG 31 5.909 7.456 2.560
217 HG3 ARG 31 2HG ARG 31 4.532 6.496 3.103
218 HD2 ARG 31 1HD ARG 31 5.948 6.652 4.972
219 HD3 ARG 31 2HD ARG 31 6.224 5.039 4.317
220 HE ARG 31 HE ARG 31 8.096 7.245 4.375
221 HH11 ARG 31 1HH1 ARG 31 7.290 4.135 3.035
222 HH12 ARG 31 2HH1 ARG 31 8.918 3.769 2.569
223 HH21 ARG 31 1HH2 ARG 31 10.243 6.775 3.766
224 HH22 ARG 31 2HH2 ARG 31 10.597 5.270 2.985
225 H ILE 32 H ILE 32 4.193 3.430 0.023
226 HA ILE 32 HA ILE 32 6.207 2.335 -1.520
227 HB ILE 32 HB ILE 32 4.700 0.629 -2.168
228 HG12 ILE 32 1HG1 ILE 32 2.396 2.441 -1.424
229 HG13 ILE 32 2HG1 ILE 32 2.962 2.197 -3.073
230 HG21 ILE 32 1HG2 ILE 32 3.168 0.851 0.174
231 HG22 ILE 32 2HG2 ILE 32 4.679 -0.031 -0.049
232 HG23 ILE 32 3HG2 ILE 32 4.708 1.640 0.514
233 HD11 ILE 32 3HD1 ILE 32 2.406 -0.158 -2.934
234 HD12 ILE 32 1HD1 ILE 32 1.888 0.049 -1.261
235 HD13 ILE 32 2HD1 ILE 32 1.001 0.841 -2.563
236 H HIS 33 H HIS 33 3.703 4.561 -2.432
237 HA HIS 33 HA HIS 33 4.252 4.201 -5.277
238 HB2 HIS 33 1HB HIS 33 2.300 6.097 -3.959
239 HB3 HIS 33 2HB HIS 33 2.365 5.664 -5.665
240 HD1 HIS 33 HD1 HIS 33 2.107 2.850 -5.951
241 HD2 HIS 33 HD2 HIS 33 0.360 4.733 -2.686
242 HE1 HIS 33 HE1 HIS 33 0.333 1.267 -5.132
243 H THR 34 H THR 34 4.503 6.660 -2.747
244 HA THR 34 HA THR 34 5.267 8.886 -4.083
245 HB THR 34 HB THR 34 6.642 9.530 -2.180
246 HG1 THR 34 HG1 THR 34 7.560 7.293 -2.002
247 HG21 THR 34 3HG2 THR 34 4.223 7.935 -1.325
248 HG22 THR 34 1HG2 THR 34 4.213 9.602 -1.898
249 HG23 THR 34 2HG2 THR 34 5.011 9.197 -0.378
250 H GLY 35 H GLY 35 7.056 5.920 -3.842
251 HA2 GLY 35 1HA GLY 35 8.647 5.539 -5.689
252 HA3 GLY 35 2HA GLY 35 9.234 7.170 -5.401
253 H GLU 36 H GLU 36 9.105 3.901 -4.119
254 HA GLU 36 HA GLU 36 11.374 4.571 -2.362
255 HB2 GLU 36 1HB GLU 36 9.267 3.842 -1.210
256 HB3 GLU 36 2HB GLU 36 9.430 2.286 -2.011
257 HG2 GLU 36 1HG GLU 36 10.348 1.890 0.065
258 HG3 GLU 36 2HG GLU 36 11.766 2.222 -0.928
259 H SER 37 H SER 37 9.961 1.913 -4.265
260 HA SER 37 HA SER 37 12.535 0.579 -4.408
261 HB2 SER 37 1HB SER 37 9.728 -0.115 -5.137
262 HB3 SER 37 2HB SER 37 11.028 -0.942 -5.996
263 HG SER 37 HG SER 37 10.867 -0.779 -3.170
264 H GLY 38 H GLY 38 13.685 2.202 -5.589
265 HA2 GLY 38 1HA GLY 38 13.163 2.028 -8.479
266 HA3 GLY 38 2HA GLY 38 13.405 3.603 -7.739
267 HA PRO 39 HA PRO 39 17.558 2.476 -9.196
268 HB2 PRO 39 1HB PRO 39 18.399 5.047 -9.425
269 HB3 PRO 39 2HB PRO 39 17.448 4.233 -10.673
270 HG2 PRO 39 1HG PRO 39 16.547 6.136 -8.545
271 HG3 PRO 39 2HG PRO 39 16.082 6.068 -10.255
272 HD2 PRO 39 1HD PRO 39 14.521 5.072 -8.279
273 HD3 PRO 39 2HD PRO 39 14.572 4.361 -9.906
274 H SER 40 H SER 40 17.787 1.648 -6.948
275 HA SER 40 HA SER 40 19.188 3.574 -5.214
276 HB2 SER 40 1HB SER 40 17.484 1.179 -4.578
277 HB3 SER 40 2HB SER 40 18.667 1.776 -3.414
278 HG SER 40 HG SER 40 17.570 3.660 -3.248
279 H SER 41 H SER 41 21.116 2.942 -4.207
280 HA SER 41 HA SER 41 22.687 1.080 -5.749
281 HB2 SER 41 1HB SER 41 24.562 1.842 -4.351
282 HB3 SER 41 2HB SER 41 23.658 3.212 -4.998
283 HG SER 41 HG SER 41 22.475 2.834 -2.800
284 H GLY 42 H GLY 42 20.793 0.938 -2.929
285 HA2 GLY 42 1HA GLY 42 20.840 -1.732 -2.507
286 HA3 GLY 42 2HA GLY 42 22.277 -1.191 -1.654