Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505057 | 2eoj RC | 10218 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 31.451 -6.283 7.191
2 HA2 GLY 1 1HA GLY 1 29.930 -7.433 5.834
3 HA3 GLY 1 2HA GLY 1 28.829 -7.541 7.199
4 H SER 2 H SER 2 29.692 -5.812 4.373
5 HA SER 2 HA SER 2 27.643 -3.776 4.954
6 HB2 SER 2 1HB SER 2 30.080 -3.696 3.175
7 HB3 SER 2 2HB SER 2 28.784 -2.507 3.052
8 HG SER 2 HG SER 2 29.204 -1.857 5.139
9 H SER 3 H SER 3 25.888 -5.044 4.299
10 HA SER 3 HA SER 3 25.695 -5.401 1.385
11 HB2 SER 3 1HB SER 3 24.375 -7.468 1.769
12 HB3 SER 3 2HB SER 3 26.032 -7.612 2.353
13 HG SER 3 HG SER 3 24.093 -8.263 3.750
14 H GLY 4 H GLY 4 24.817 -3.143 2.743
15 HA2 GLY 4 1HA GLY 4 22.960 -1.843 3.151
16 HA3 GLY 4 2HA GLY 4 22.282 -2.731 1.795
17 H SER 5 H SER 5 22.643 -2.715 5.303
18 HA SER 5 HA SER 5 20.694 -4.821 5.649
19 HB2 SER 5 1HB SER 5 21.117 -4.609 7.998
20 HB3 SER 5 2HB SER 5 22.673 -4.462 7.181
21 HG SER 5 HG SER 5 21.463 -2.712 8.801
22 H SER 6 H SER 6 19.623 -2.717 4.192
23 HA SER 6 HA SER 6 17.835 -1.376 6.105
24 HB2 SER 6 1HB SER 6 18.783 -0.651 3.347
25 HB3 SER 6 2HB SER 6 17.289 0.035 3.984
26 HG SER 6 HG SER 6 19.583 0.117 5.582
27 H GLY 7 H GLY 7 16.050 -2.555 6.402
28 HA2 GLY 7 1HA GLY 7 13.923 -3.297 5.778
29 HA3 GLY 7 2HA GLY 7 14.399 -3.171 4.091
30 H THR 8 H THR 8 15.071 -5.089 7.011
31 HA THR 8 HA THR 8 16.171 -7.299 5.643
32 HB THR 8 HB THR 8 15.803 -8.559 7.727
33 HG1 THR 8 HG1 THR 8 14.502 -7.816 9.277
34 HG21 THR 8 3HG2 THR 8 16.839 -5.748 8.096
35 HG22 THR 8 1HG2 THR 8 17.770 -7.164 7.611
36 HG23 THR 8 2HG2 THR 8 17.097 -7.067 9.238
37 H GLY 9 H GLY 9 14.924 -8.043 3.970
38 HA2 GLY 9 1HA GLY 9 13.421 -9.891 3.491
39 HA3 GLY 9 2HA GLY 9 12.365 -9.284 4.758
40 H GLU 10 H GLU 10 11.420 -9.870 2.216
41 HA GLU 10 HA GLU 10 10.581 -7.199 1.348
42 HB2 GLU 10 1HB GLU 10 10.711 -7.956 -1.032
43 HB3 GLU 10 2HB GLU 10 12.274 -7.776 -0.249
44 HG2 GLU 10 1HG GLU 10 10.852 -10.409 -0.515
45 HG3 GLU 10 2HG GLU 10 12.013 -9.803 -1.694
46 H ASN 11 H ASN 11 8.450 -7.031 0.967
47 HA ASN 11 HA ASN 11 6.880 -9.456 0.500
48 HB2 ASN 11 1HB ASN 11 6.208 -7.428 2.645
49 HB3 ASN 11 2HB ASN 11 5.238 -8.831 2.206
50 HD21 ASN 11 1HD2 ASN 11 8.238 -7.763 3.648
51 HD22 ASN 11 2HD2 ASN 11 8.563 -9.221 4.517
52 HA PRO 12 HA PRO 12 4.729 -6.952 -2.399
53 HB2 PRO 12 1HB PRO 12 2.310 -8.185 -2.418
54 HB3 PRO 12 2HB PRO 12 3.755 -8.891 -3.152
55 HG2 PRO 12 1HG PRO 12 2.513 -9.458 -0.488
56 HG3 PRO 12 2HG PRO 12 3.174 -10.594 -1.678
57 HD2 PRO 12 1HD PRO 12 4.552 -9.822 0.522
58 HD3 PRO 12 2HD PRO 12 5.350 -10.218 -1.014
59 H TYR 13 H TYR 13 3.714 -7.209 0.863
60 HA TYR 13 HA TYR 13 1.977 -4.853 0.520
61 HB2 TYR 13 1HB TYR 13 1.642 -6.869 2.734
62 HB3 TYR 13 2HB TYR 13 0.509 -5.631 2.206
63 HD1 TYR 13 HD2 TYR 13 0.145 -5.944 -0.569
64 HD2 TYR 13 HD1 TYR 13 0.842 -8.986 2.323
65 HE1 TYR 13 HE2 TYR 13 -0.966 -7.580 -2.030
66 HE2 TYR 13 HE1 TYR 13 -0.267 -10.631 0.869
67 HH TYR 13 HH TYR 13 -1.639 -10.849 -0.953
68 H GLU 14 H GLU 14 3.759 -3.473 0.903
69 HA GLU 14 HA GLU 14 4.605 -3.403 3.724
70 HB2 GLU 14 1HB GLU 14 6.487 -4.119 2.359
71 HB3 GLU 14 2HB GLU 14 6.265 -2.746 1.285
72 HG2 GLU 14 1HG GLU 14 6.963 -1.214 2.943
73 HG3 GLU 14 2HG GLU 14 6.885 -2.442 4.206
74 H CYS 15 H CYS 15 3.275 -1.830 4.467
75 HA CYS 15 HA CYS 15 2.369 0.411 3.103
76 HB2 CYS 15 1HB CYS 15 1.460 -0.392 5.266
77 HB3 CYS 15 2HB CYS 15 2.913 0.192 6.071
78 H CYS 16 H CYS 16 3.728 1.718 2.028
79 HA CYS 16 HA CYS 16 6.340 2.387 2.895
80 HB2 CYS 16 1HB CYS 16 5.331 2.469 0.514
81 HB3 CYS 16 2HB CYS 16 4.737 4.060 0.977
82 H GLU 17 H GLU 17 3.205 3.945 3.237
83 HA GLU 17 HA GLU 17 3.735 6.478 3.968
84 HB2 GLU 17 1HB GLU 17 1.892 4.557 5.398
85 HB3 GLU 17 2HB GLU 17 1.877 6.299 5.634
86 HG2 GLU 17 1HG GLU 17 1.588 5.210 2.880
87 HG3 GLU 17 2HG GLU 17 0.212 5.155 3.980
88 H CYS 18 H CYS 18 3.710 3.843 6.376
89 HA CYS 18 HA CYS 18 5.542 5.449 8.024
90 HB2 CYS 18 1HB CYS 18 4.778 4.061 9.915
91 HB3 CYS 18 2HB CYS 18 3.442 4.899 9.133
92 H GLY 19 H GLY 19 4.976 2.194 6.754
93 HA2 GLY 19 1HA GLY 19 6.960 1.041 5.862
94 HA3 GLY 19 2HA GLY 19 7.824 1.608 7.284
95 H LYS 20 H LYS 20 4.661 0.029 6.861
96 HA LYS 20 HA LYS 20 5.591 -2.082 8.695
97 HB2 LYS 20 1HB LYS 20 2.982 -0.610 8.560
98 HB3 LYS 20 2HB LYS 20 3.030 -2.249 9.196
99 HG2 LYS 20 1HG LYS 20 4.769 -1.480 10.819
100 HG3 LYS 20 2HG LYS 20 4.473 0.168 10.257
101 HD2 LYS 20 1HD LYS 20 3.064 0.074 12.069
102 HD3 LYS 20 2HD LYS 20 1.973 -0.442 10.780
103 HE2 LYS 20 1HE LYS 20 1.599 -2.009 12.455
104 HE3 LYS 20 2HE LYS 20 2.738 -2.826 11.386
105 HZ1 LYS 20 3HZ LYS 20 3.583 -3.190 13.503
106 HZ2 LYS 20 1HZ LYS 20 3.239 -1.621 14.034
107 HZ3 LYS 20 2HZ LYS 20 4.507 -1.886 12.947
108 H VAL 21 H VAL 21 5.501 -4.100 7.947
109 HA VAL 21 HA VAL 21 4.239 -4.570 5.355
110 HB VAL 21 HB VAL 21 6.040 -6.397 6.951
111 HG11 VAL 21 1HG1 VAL 21 5.110 -6.524 4.084
112 HG12 VAL 21 2HG1 VAL 21 6.292 -7.604 4.826
113 HG13 VAL 21 3HG1 VAL 21 4.620 -7.602 5.390
114 HG21 VAL 21 3HG2 VAL 21 6.928 -4.998 4.479
115 HG22 VAL 21 1HG2 VAL 21 6.895 -4.096 5.994
116 HG23 VAL 21 2HG2 VAL 21 7.871 -5.559 5.859
117 H PHE 22 H PHE 22 2.948 -6.478 4.989
118 HA PHE 22 HA PHE 22 1.653 -7.564 7.390
119 HB2 PHE 22 1HB PHE 22 0.261 -6.424 4.963
120 HB3 PHE 22 2HB PHE 22 -0.545 -7.416 6.174
121 HD1 PHE 22 HD2 PHE 22 1.664 -4.408 6.048
122 HD2 PHE 22 HD1 PHE 22 -1.722 -6.309 7.792
123 HE1 PHE 22 HE2 PHE 22 1.238 -2.399 7.403
124 HE2 PHE 22 HE1 PHE 22 -2.153 -4.302 9.150
125 HZ PHE 22 HZ PHE 22 -0.672 -2.344 8.957
126 H SER 23 H SER 23 0.023 -9.376 6.570
127 HA SER 23 HA SER 23 1.671 -11.193 4.976
128 HB2 SER 23 1HB SER 23 -0.767 -11.792 6.670
129 HB3 SER 23 2HB SER 23 0.294 -12.981 5.915
130 HG SER 23 HG SER 23 0.731 -12.533 8.177
131 H ARG 24 H ARG 24 -1.704 -10.097 5.214
132 HA ARG 24 HA ARG 24 -2.034 -10.808 2.374
133 HB2 ARG 24 1HB ARG 24 -4.145 -10.930 4.536
134 HB3 ARG 24 2HB ARG 24 -4.390 -11.305 2.835
135 HG2 ARG 24 1HG ARG 24 -2.915 -13.205 2.995
136 HG3 ARG 24 2HG ARG 24 -2.524 -12.796 4.667
137 HD2 ARG 24 1HD ARG 24 -4.124 -14.491 4.848
138 HD3 ARG 24 2HD ARG 24 -5.035 -13.004 5.109
139 HE ARG 24 HE ARG 24 -5.330 -13.401 2.468
140 HH11 ARG 24 1HH1 ARG 24 -5.746 -15.500 5.214
141 HH12 ARG 24 2HH1 ARG 24 -6.984 -16.452 4.464
142 HH21 ARG 24 1HH2 ARG 24 -6.959 -14.647 1.469
143 HH22 ARG 24 2HH2 ARG 24 -7.672 -15.967 2.333
144 H LYS 25 H LYS 25 -2.728 -9.236 1.058
145 HA LYS 25 HA LYS 25 -2.598 -6.607 1.477
146 HB2 LYS 25 1HB LYS 25 -3.206 -7.761 -0.681
147 HB3 LYS 25 2HB LYS 25 -4.871 -7.795 -0.117
148 HG2 LYS 25 1HG LYS 25 -4.769 -5.929 -1.503
149 HG3 LYS 25 2HG LYS 25 -4.652 -5.261 0.127
150 HD2 LYS 25 1HD LYS 25 -2.422 -4.727 -0.109
151 HD3 LYS 25 2HD LYS 25 -2.152 -5.952 -1.352
152 HE2 LYS 25 1HE LYS 25 -2.124 -4.077 -2.652
153 HE3 LYS 25 2HE LYS 25 -3.848 -4.441 -2.702
154 HZ1 LYS 25 3HZ LYS 25 -2.644 -2.102 -1.834
155 HZ2 LYS 25 1HZ LYS 25 -3.269 -2.845 -0.448
156 HZ3 LYS 25 2HZ LYS 25 -4.285 -2.504 -1.756
157 H ASP 26 H ASP 26 -5.588 -8.467 2.011
158 HA ASP 26 HA ASP 26 -7.366 -6.613 2.785
159 HB2 ASP 26 1HB ASP 26 -6.996 -8.962 4.610
160 HB3 ASP 26 2HB ASP 26 -8.488 -8.250 4.002
161 H GLN 27 H GLN 27 -5.155 -8.105 5.158
162 HA GLN 27 HA GLN 27 -5.707 -6.459 7.298
163 HB2 GLN 27 1HB GLN 27 -3.003 -7.610 6.593
164 HB3 GLN 27 2HB GLN 27 -3.525 -7.089 8.189
165 HG2 GLN 27 1HG GLN 27 -4.433 -9.466 6.609
166 HG3 GLN 27 2HG GLN 27 -3.701 -9.418 8.212
167 HE21 GLN 27 1HE2 GLN 27 -6.519 -9.840 6.584
168 HE22 GLN 27 2HE2 GLN 27 -7.642 -9.460 7.840
169 H LEU 28 H LEU 28 -3.497 -5.909 4.607
170 HA LEU 28 HA LEU 28 -2.280 -3.575 5.622
171 HB2 LEU 28 1HB LEU 28 -1.411 -4.943 3.746
172 HB3 LEU 28 2HB LEU 28 -2.725 -4.337 2.739
173 HG LEU 28 HG LEU 28 -1.669 -2.000 3.424
174 HD11 LEU 28 1HD1 LEU 28 0.038 -2.828 4.882
175 HD12 LEU 28 2HD1 LEU 28 0.810 -2.213 3.421
176 HD13 LEU 28 3HD1 LEU 28 0.616 -3.950 3.650
177 HD21 LEU 28 3HD2 LEU 28 -0.439 -2.040 1.331
178 HD22 LEU 28 1HD2 LEU 28 -1.987 -2.865 1.148
179 HD23 LEU 28 2HD2 LEU 28 -0.501 -3.803 1.305
180 H VAL 29 H VAL 29 -4.975 -4.004 3.335
181 HA VAL 29 HA VAL 29 -5.584 -1.422 2.717
182 HB VAL 29 HB VAL 29 -7.580 -3.594 3.373
183 HG11 VAL 29 1HG1 VAL 29 -8.102 -1.365 1.459
184 HG12 VAL 29 2HG1 VAL 29 -9.241 -2.350 2.378
185 HG13 VAL 29 3HG1 VAL 29 -8.310 -1.089 3.188
186 HG21 VAL 29 3HG2 VAL 29 -5.737 -3.937 1.571
187 HG22 VAL 29 1HG2 VAL 29 -7.413 -4.333 1.187
188 HG23 VAL 29 2HG2 VAL 29 -6.711 -2.818 0.618
189 H SER 30 H SER 30 -6.792 -3.185 5.568
190 HA SER 30 HA SER 30 -8.248 -1.079 6.688
191 HB2 SER 30 1HB SER 30 -8.063 -3.635 7.333
192 HB3 SER 30 2HB SER 30 -6.856 -3.037 8.471
193 HG SER 30 HG SER 30 -8.398 -1.780 9.438
194 H HIS 31 H HIS 31 -4.851 -1.674 6.584
195 HA HIS 31 HA HIS 31 -4.221 0.121 8.763
196 HB2 HIS 31 1HB HIS 31 -2.776 -1.801 8.360
197 HB3 HIS 31 2HB HIS 31 -2.445 -1.238 6.725
198 HD1 HIS 31 HD1 HIS 31 -1.986 0.040 10.282
199 HD2 HIS 31 HD2 HIS 31 -0.169 0.208 6.549
200 HE1 HIS 31 HE1 HIS 31 0.149 1.324 10.629
201 H GLN 32 H GLN 32 -3.809 0.116 5.228
202 HA GLN 32 HA GLN 32 -2.708 2.702 5.050
203 HB2 GLN 32 1HB GLN 32 -4.243 1.083 3.012
204 HB3 GLN 32 2HB GLN 32 -3.379 2.572 2.649
205 HG2 GLN 32 1HG GLN 32 -1.301 1.446 3.503
206 HG3 GLN 32 2HG GLN 32 -2.227 -0.053 3.547
207 HE21 GLN 32 1HE2 GLN 32 0.076 0.315 2.008
208 HE22 GLN 32 2HE2 GLN 32 -0.361 0.229 0.339
209 H LYS 33 H LYS 33 -5.908 1.618 5.597
210 HA LYS 33 HA LYS 33 -7.438 3.667 4.492
211 HB2 LYS 33 1HB LYS 33 -7.790 1.751 6.742
212 HB3 LYS 33 2HB LYS 33 -8.891 3.120 6.667
213 HG2 LYS 33 1HG LYS 33 -9.366 2.445 4.279
214 HG3 LYS 33 2HG LYS 33 -8.492 0.952 4.628
215 HD2 LYS 33 1HD LYS 33 -10.059 0.576 6.540
216 HD3 LYS 33 2HD LYS 33 -10.987 1.970 5.982
217 HE2 LYS 33 1HE LYS 33 -11.401 0.872 3.856
218 HE3 LYS 33 2HE LYS 33 -10.405 -0.498 4.346
219 HZ1 LYS 33 3HZ LYS 33 -12.670 -1.080 4.672
220 HZ2 LYS 33 1HZ LYS 33 -12.995 0.347 5.520
221 HZ3 LYS 33 2HZ LYS 33 -11.999 -0.836 6.206
222 H THR 34 H THR 34 -5.779 3.495 7.612
223 HA THR 34 HA THR 34 -6.618 6.214 8.260
224 HB THR 34 HB THR 34 -6.679 4.474 10.028
225 HG1 THR 34 HG1 THR 34 -5.190 6.835 10.219
226 HG21 THR 34 3HG2 THR 34 -3.705 4.459 9.552
227 HG22 THR 34 1HG2 THR 34 -4.820 3.093 9.523
228 HG23 THR 34 2HG2 THR 34 -4.433 3.883 11.052
229 H HIS 35 H HIS 35 -4.847 5.840 6.029
230 HA HIS 35 HA HIS 35 -2.508 7.316 7.036
231 HB2 HIS 35 1HB HIS 35 -2.615 4.935 5.256
232 HB3 HIS 35 2HB HIS 35 -1.429 6.178 4.870
233 HD1 HIS 35 HD1 HIS 35 0.117 6.858 7.082
234 HD2 HIS 35 HD2 HIS 35 -1.693 3.119 7.027
235 HE1 HIS 35 HE1 HIS 35 1.386 5.472 8.753
236 H SER 36 H SER 36 -1.436 8.628 5.322
237 HA SER 36 HA SER 36 -3.026 10.539 4.253
238 HB2 SER 36 1HB SER 36 -0.418 10.305 4.287
239 HB3 SER 36 2HB SER 36 -0.638 9.671 2.657
240 HG SER 36 HG SER 36 -0.401 11.832 2.405
241 H GLY 37 H GLY 37 -4.130 10.938 2.365
242 HA2 GLY 37 1HA GLY 37 -4.134 9.796 -0.053
243 HA3 GLY 37 2HA GLY 37 -4.963 8.570 0.896
244 H GLN 38 H GLN 38 -6.227 9.754 -1.228
245 HA GLN 38 HA GLN 38 -7.766 12.023 -0.570
246 HB2 GLN 38 1HB GLN 38 -9.225 11.302 -2.448
247 HB3 GLN 38 2HB GLN 38 -7.519 11.352 -2.872
248 HG2 GLN 38 1HG GLN 38 -7.469 8.868 -2.402
249 HG3 GLN 38 2HG GLN 38 -9.229 8.943 -2.346
250 HE21 GLN 38 1HE2 GLN 38 -10.323 8.818 -4.191
251 HE22 GLN 38 2HE2 GLN 38 -9.628 8.882 -5.772
252 H SER 39 H SER 39 -8.919 12.011 1.274
253 HA SER 39 HA SER 39 -11.295 10.455 1.423
254 HB2 SER 39 1HB SER 39 -9.412 8.872 2.221
255 HB3 SER 39 2HB SER 39 -9.370 9.882 3.666
256 HG SER 39 HG SER 39 -11.377 9.243 4.193
257 H GLY 40 H GLY 40 -12.679 11.930 2.133
258 HA2 GLY 40 1HA GLY 40 -12.395 13.183 4.668
259 HA3 GLY 40 2HA GLY 40 -12.048 14.325 3.378
260 HA PRO 41 HA PRO 41 -16.641 14.244 4.268
261 HB2 PRO 41 1HB PRO 41 -16.872 16.906 4.748
262 HB3 PRO 41 2HB PRO 41 -16.480 15.733 6.010
263 HG2 PRO 41 1HG PRO 41 -14.655 17.539 4.471
264 HG3 PRO 41 2HG PRO 41 -14.655 17.161 6.204
265 HD2 PRO 41 1HD PRO 41 -12.942 15.998 4.458
266 HD3 PRO 41 2HD PRO 41 -13.560 15.156 5.894
267 H SER 42 H SER 42 -16.931 13.789 2.047
268 HA SER 42 HA SER 42 -16.566 15.868 0.080
269 HB2 SER 42 1HB SER 42 -17.173 14.251 -1.536
270 HB3 SER 42 2HB SER 42 -16.283 13.348 -0.310
271 HG SER 42 HG SER 42 -18.107 12.188 -0.698
272 H SER 43 H SER 43 -18.509 16.133 -1.521
273 HA SER 43 HA SER 43 -20.714 17.158 0.084
274 HB2 SER 43 1HB SER 43 -19.693 17.658 -2.680
275 HB3 SER 43 2HB SER 43 -21.386 18.008 -2.333
276 HG SER 43 HG SER 43 -19.494 18.941 -0.517
277 H GLY 44 H GLY 44 -20.410 15.321 -2.966
278 HA2 GLY 44 1HA GLY 44 -21.562 13.387 -3.580
279 HA3 GLY 44 2HA GLY 44 -22.502 13.506 -2.100
Start of MODEL 2
1 H1 GLY 1 H GLY 1 28.235 -4.700 -8.120
2 HA2 GLY 1 1HA GLY 1 25.780 -3.786 -8.356
3 HA3 GLY 1 2HA GLY 1 25.413 -5.458 -7.959
4 H SER 2 H SER 2 24.662 -5.448 -5.940
5 HA SER 2 HA SER 2 25.901 -3.714 -3.943
6 HB2 SER 2 1HB SER 2 23.993 -4.257 -2.536
7 HB3 SER 2 2HB SER 2 23.422 -3.786 -4.136
8 HG SER 2 HG SER 2 23.909 -6.492 -3.701
9 H SER 3 H SER 3 26.694 -4.496 -1.956
10 HA SER 3 HA SER 3 27.378 -7.362 -1.949
11 HB2 SER 3 1HB SER 3 29.389 -6.142 -2.461
12 HB3 SER 3 2HB SER 3 29.097 -5.007 -1.144
13 HG SER 3 HG SER 3 30.549 -7.103 -0.979
14 H GLY 4 H GLY 4 27.031 -8.470 -0.100
15 HA2 GLY 4 1HA GLY 4 27.065 -8.370 2.387
16 HA3 GLY 4 2HA GLY 4 26.104 -6.907 2.232
17 H SER 5 H SER 5 24.239 -7.615 0.363
18 HA SER 5 HA SER 5 22.904 -9.962 1.537
19 HB2 SER 5 1HB SER 5 20.751 -8.736 1.377
20 HB3 SER 5 2HB SER 5 21.880 -7.971 2.495
21 HG SER 5 HG SER 5 21.054 -6.365 1.220
22 H SER 6 H SER 6 21.149 -10.829 0.156
23 HA SER 6 HA SER 6 21.807 -10.484 -2.697
24 HB2 SER 6 1HB SER 6 22.408 -12.710 -1.703
25 HB3 SER 6 2HB SER 6 20.694 -12.975 -1.386
26 HG SER 6 HG SER 6 21.865 -13.659 -3.524
27 H GLY 7 H GLY 7 19.177 -11.319 -0.450
28 HA2 GLY 7 1HA GLY 7 17.218 -9.676 -1.058
29 HA3 GLY 7 2HA GLY 7 17.212 -10.655 -2.517
30 H THR 8 H THR 8 17.214 -11.078 1.022
31 HA THR 8 HA THR 8 15.423 -13.384 0.660
32 HB THR 8 HB THR 8 17.094 -12.655 3.073
33 HG1 THR 8 HG1 THR 8 18.099 -13.513 0.998
34 HG21 THR 8 3HG2 THR 8 14.953 -13.929 3.490
35 HG22 THR 8 1HG2 THR 8 16.430 -14.736 4.015
36 HG23 THR 8 2HG2 THR 8 15.636 -15.235 2.521
37 H GLY 9 H GLY 9 13.343 -12.896 0.912
38 HA2 GLY 9 1HA GLY 9 11.649 -12.414 2.632
39 HA3 GLY 9 2HA GLY 9 12.620 -11.019 3.078
40 H GLU 10 H GLU 10 9.993 -12.080 1.298
41 HA GLU 10 HA GLU 10 10.053 -9.700 -0.433
42 HB2 GLU 10 1HB GLU 10 8.655 -12.352 -0.699
43 HB3 GLU 10 2HB GLU 10 8.157 -10.951 -1.636
44 HG2 GLU 10 1HG GLU 10 10.412 -10.799 -2.586
45 HG3 GLU 10 2HG GLU 10 10.881 -12.230 -1.671
46 H ASN 11 H ASN 11 8.968 -8.048 0.399
47 HA ASN 11 HA ASN 11 6.494 -8.603 1.900
48 HB2 ASN 11 1HB ASN 11 8.060 -6.042 2.118
49 HB3 ASN 11 2HB ASN 11 6.895 -6.720 3.252
50 HD21 ASN 11 1HD2 ASN 11 10.152 -6.468 2.389
51 HD22 ASN 11 2HD2 ASN 11 10.798 -7.574 3.549
52 HA PRO 12 HA PRO 12 5.167 -6.500 -1.985
53 HB2 PRO 12 1HB PRO 12 2.886 -7.950 -2.242
54 HB3 PRO 12 2HB PRO 12 4.450 -8.503 -2.851
55 HG2 PRO 12 1HG PRO 12 3.034 -9.242 -0.320
56 HG3 PRO 12 2HG PRO 12 3.903 -10.285 -1.461
57 HD2 PRO 12 1HD PRO 12 5.000 -9.440 0.866
58 HD3 PRO 12 2HD PRO 12 5.965 -9.725 -0.596
59 H TYR 13 H TYR 13 3.955 -6.862 1.179
60 HA TYR 13 HA TYR 13 1.916 -4.792 0.685
61 HB2 TYR 13 1HB TYR 13 1.898 -6.659 3.047
62 HB3 TYR 13 2HB TYR 13 0.577 -5.683 2.414
63 HD1 TYR 13 HD2 TYR 13 0.510 -6.305 -0.402
64 HD2 TYR 13 HD1 TYR 13 1.291 -8.885 2.891
65 HE1 TYR 13 HE2 TYR 13 -0.279 -8.223 -1.725
66 HE2 TYR 13 HE1 TYR 13 0.506 -10.810 1.576
67 HH TYR 13 HH TYR 13 -0.917 -11.274 -0.339
68 H GLU 14 H GLU 14 4.426 -3.881 0.968
69 HA GLU 14 HA GLU 14 4.846 -3.192 3.774
70 HB2 GLU 14 1HB GLU 14 6.713 -3.911 2.166
71 HB3 GLU 14 2HB GLU 14 6.552 -2.312 1.455
72 HG2 GLU 14 1HG GLU 14 7.288 -1.244 3.394
73 HG3 GLU 14 2HG GLU 14 7.015 -2.672 4.391
74 H CYS 15 H CYS 15 3.559 -1.589 4.446
75 HA CYS 15 HA CYS 15 2.369 0.390 2.921
76 HB2 CYS 15 1HB CYS 15 1.711 -0.134 5.233
77 HB3 CYS 15 2HB CYS 15 3.217 0.563 5.821
78 H CYS 16 H CYS 16 3.409 1.736 1.599
79 HA CYS 16 HA CYS 16 6.042 2.745 2.234
80 HB2 CYS 16 1HB CYS 16 5.313 2.081 -0.086
81 HB3 CYS 16 2HB CYS 16 4.275 3.502 -0.097
82 H GLU 17 H GLU 17 4.170 3.555 4.129
83 HA GLU 17 HA GLU 17 4.120 6.457 3.646
84 HB2 GLU 17 1HB GLU 17 1.973 4.833 5.024
85 HB3 GLU 17 2HB GLU 17 2.007 6.588 4.922
86 HG2 GLU 17 1HG GLU 17 1.969 6.344 2.426
87 HG3 GLU 17 2HG GLU 17 1.670 4.625 2.673
88 H CYS 18 H CYS 18 4.085 3.868 6.066
89 HA CYS 18 HA CYS 18 5.509 5.683 7.901
90 HB2 CYS 18 1HB CYS 18 4.466 4.505 9.777
91 HB3 CYS 18 2HB CYS 18 3.242 5.197 8.718
92 H GLY 19 H GLY 19 5.034 2.301 6.929
93 HA2 GLY 19 1HA GLY 19 7.152 1.112 6.375
94 HA3 GLY 19 2HA GLY 19 7.776 1.754 7.887
95 H LYS 20 H LYS 20 4.761 0.101 6.945
96 HA LYS 20 HA LYS 20 5.340 -1.916 9.011
97 HB2 LYS 20 1HB LYS 20 2.854 -0.326 8.539
98 HB3 LYS 20 2HB LYS 20 2.703 -1.974 9.134
99 HG2 LYS 20 1HG LYS 20 4.125 -1.412 11.044
100 HG3 LYS 20 2HG LYS 20 4.257 0.246 10.450
101 HD2 LYS 20 1HD LYS 20 1.643 0.159 10.503
102 HD3 LYS 20 2HD LYS 20 1.907 -1.168 11.637
103 HE2 LYS 20 1HE LYS 20 2.814 0.197 13.234
104 HE3 LYS 20 2HE LYS 20 3.417 1.359 12.054
105 HZ1 LYS 20 3HZ LYS 20 1.342 1.867 13.573
106 HZ2 LYS 20 1HZ LYS 20 0.521 1.083 12.319
107 HZ3 LYS 20 2HZ LYS 20 1.450 2.458 11.992
108 H VAL 21 H VAL 21 5.237 -3.965 8.341
109 HA VAL 21 HA VAL 21 4.288 -4.481 5.621
110 HB VAL 21 HB VAL 21 5.829 -6.328 7.448
111 HG11 VAL 21 1HG1 VAL 21 4.747 -7.618 5.800
112 HG12 VAL 21 2HG1 VAL 21 5.090 -6.436 4.536
113 HG13 VAL 21 3HG1 VAL 21 6.398 -7.401 5.220
114 HG21 VAL 21 3HG2 VAL 21 6.686 -4.078 5.777
115 HG22 VAL 21 1HG2 VAL 21 7.514 -4.885 7.109
116 HG23 VAL 21 2HG2 VAL 21 7.568 -5.578 5.489
117 H PHE 22 H PHE 22 3.090 -6.489 5.202
118 HA PHE 22 HA PHE 22 1.489 -7.443 7.461
119 HB2 PHE 22 1HB PHE 22 0.371 -6.343 4.877
120 HB3 PHE 22 2HB PHE 22 -0.571 -7.278 6.034
121 HD1 PHE 22 HD2 PHE 22 1.210 -4.110 5.477
122 HD2 PHE 22 HD1 PHE 22 -1.373 -6.307 8.050
123 HE1 PHE 22 HE2 PHE 22 0.701 -2.049 6.721
124 HE2 PHE 22 HE1 PHE 22 -1.886 -4.249 9.297
125 HZ PHE 22 HZ PHE 22 -0.848 -2.117 8.634
126 H SER 23 H SER 23 0.317 -9.439 6.987
127 HA SER 23 HA SER 23 1.930 -11.184 5.323
128 HB2 SER 23 1HB SER 23 -0.107 -11.567 7.471
129 HB3 SER 23 2HB SER 23 0.141 -12.881 6.321
130 HG SER 23 HG SER 23 2.023 -13.280 7.185
131 H ARG 24 H ARG 24 -1.368 -9.955 5.458
132 HA ARG 24 HA ARG 24 -1.797 -11.026 2.749
133 HB2 ARG 24 1HB ARG 24 -3.864 -10.814 4.947
134 HB3 ARG 24 2HB ARG 24 -4.169 -11.354 3.301
135 HG2 ARG 24 1HG ARG 24 -2.884 -13.323 3.616
136 HG3 ARG 24 2HG ARG 24 -2.249 -12.736 5.155
137 HD2 ARG 24 1HD ARG 24 -4.659 -12.706 5.960
138 HD3 ARG 24 2HD ARG 24 -5.046 -13.629 4.509
139 HE ARG 24 HE ARG 24 -4.245 -15.474 5.570
140 HH11 ARG 24 1HH1 ARG 24 -2.768 -12.664 6.998
141 HH12 ARG 24 2HH1 ARG 24 -1.909 -13.566 8.202
142 HH21 ARG 24 1HH2 ARG 24 -3.119 -16.673 7.150
143 HH22 ARG 24 2HH2 ARG 24 -2.109 -15.847 8.287
144 H LYS 25 H LYS 25 -2.269 -9.532 1.279
145 HA LYS 25 HA LYS 25 -2.115 -6.874 1.489
146 HB2 LYS 25 1HB LYS 25 -2.459 -7.991 -0.648
147 HB3 LYS 25 2HB LYS 25 -4.124 -8.356 -0.217
148 HG2 LYS 25 1HG LYS 25 -4.390 -6.530 -1.577
149 HG3 LYS 25 2HG LYS 25 -4.342 -5.772 0.017
150 HD2 LYS 25 1HD LYS 25 -2.046 -5.150 -0.280
151 HD3 LYS 25 2HD LYS 25 -1.935 -6.084 -1.773
152 HE2 LYS 25 1HE LYS 25 -2.155 -3.754 -2.324
153 HE3 LYS 25 2HE LYS 25 -3.639 -4.591 -2.777
154 HZ1 LYS 25 3HZ LYS 25 -3.261 -2.459 -0.918
155 HZ2 LYS 25 1HZ LYS 25 -4.072 -3.763 -0.208
156 HZ3 LYS 25 2HZ LYS 25 -4.692 -3.043 -1.607
157 H ASP 26 H ASP 26 -5.152 -8.669 1.956
158 HA ASP 26 HA ASP 26 -6.957 -6.714 2.401
159 HB2 ASP 26 1HB ASP 26 -7.357 -9.182 2.620
160 HB3 ASP 26 2HB ASP 26 -6.667 -9.097 4.238
161 H GLN 27 H GLN 27 -4.816 -7.999 4.948
162 HA GLN 27 HA GLN 27 -5.562 -6.279 6.989
163 HB2 GLN 27 1HB GLN 27 -2.788 -7.367 6.487
164 HB3 GLN 27 2HB GLN 27 -3.418 -6.794 8.025
165 HG2 GLN 27 1HG GLN 27 -5.015 -8.606 8.086
166 HG3 GLN 27 2HG GLN 27 -4.486 -9.156 6.497
167 HE21 GLN 27 1HE2 GLN 27 -4.419 -10.170 9.427
168 HE22 GLN 27 2HE2 GLN 27 -2.822 -10.812 9.571
169 H LEU 28 H LEU 28 -3.354 -5.760 4.314
170 HA LEU 28 HA LEU 28 -2.217 -3.347 5.283
171 HB2 LEU 28 1HB LEU 28 -1.213 -4.769 3.524
172 HB3 LEU 28 2HB LEU 28 -2.507 -4.282 2.432
173 HG LEU 28 HG LEU 28 -1.572 -1.863 3.040
174 HD11 LEU 28 1HD1 LEU 28 0.980 -2.129 2.980
175 HD12 LEU 28 2HD1 LEU 28 0.683 -3.760 3.579
176 HD13 LEU 28 3HD1 LEU 28 0.153 -2.366 4.520
177 HD21 LEU 28 3HD2 LEU 28 -1.762 -3.128 0.813
178 HD22 LEU 28 1HD2 LEU 28 -0.061 -3.528 1.057
179 HD23 LEU 28 2HD2 LEU 28 -0.561 -1.841 0.939
180 H VAL 29 H VAL 29 -4.857 -4.025 3.004
181 HA VAL 29 HA VAL 29 -5.495 -1.436 2.263
182 HB VAL 29 HB VAL 29 -7.416 -3.725 2.715
183 HG11 VAL 29 1HG1 VAL 29 -8.248 -1.253 2.452
184 HG12 VAL 29 2HG1 VAL 29 -7.877 -1.531 0.750
185 HG13 VAL 29 3HG1 VAL 29 -9.040 -2.565 1.580
186 HG21 VAL 29 3HG2 VAL 29 -5.752 -4.428 1.173
187 HG22 VAL 29 1HG2 VAL 29 -7.167 -3.979 0.221
188 HG23 VAL 29 2HG2 VAL 29 -5.790 -2.883 0.324
189 H SER 30 H SER 30 -6.693 -3.290 5.047
190 HA SER 30 HA SER 30 -8.448 -1.335 6.034
191 HB2 SER 30 1HB SER 30 -6.929 -3.404 7.639
192 HB3 SER 30 2HB SER 30 -8.416 -2.587 8.118
193 HG SER 30 HG SER 30 -9.246 -4.341 7.252
194 H HIS 31 H HIS 31 -5.043 -1.990 6.779
195 HA HIS 31 HA HIS 31 -4.739 -0.038 8.776
196 HB2 HIS 31 1HB HIS 31 -3.045 -1.680 8.625
197 HB3 HIS 31 2HB HIS 31 -2.788 -1.376 6.910
198 HD1 HIS 31 HD1 HIS 31 -2.481 0.658 10.121
199 HD2 HIS 31 HD2 HIS 31 -0.543 0.054 6.496
200 HE1 HIS 31 HE1 HIS 31 -0.431 2.112 10.204
201 H GLN 32 H GLN 32 -3.647 0.114 5.379
202 HA GLN 32 HA GLN 32 -2.730 2.604 5.128
203 HB2 GLN 32 1HB GLN 32 -4.639 1.168 3.290
204 HB3 GLN 32 2HB GLN 32 -3.899 2.705 2.861
205 HG2 GLN 32 1HG GLN 32 -1.711 1.752 2.941
206 HG3 GLN 32 2HG GLN 32 -2.340 0.243 3.600
207 HE21 GLN 32 1HE2 GLN 32 -0.755 0.478 1.276
208 HE22 GLN 32 2HE2 GLN 32 -1.701 -0.053 -0.068
209 H LYS 33 H LYS 33 -6.175 1.797 5.311
210 HA LYS 33 HA LYS 33 -7.409 4.151 4.821
211 HB2 LYS 33 1HB LYS 33 -7.985 2.245 7.094
212 HB3 LYS 33 2HB LYS 33 -9.078 3.522 6.578
213 HG2 LYS 33 1HG LYS 33 -9.469 2.488 4.498
214 HG3 LYS 33 2HG LYS 33 -8.115 1.376 4.712
215 HD2 LYS 33 1HD LYS 33 -9.333 0.404 6.670
216 HD3 LYS 33 2HD LYS 33 -10.718 1.408 6.234
217 HE2 LYS 33 1HE LYS 33 -9.428 -0.530 4.326
218 HE3 LYS 33 2HE LYS 33 -10.757 -0.978 5.393
219 HZ1 LYS 33 3HZ LYS 33 -12.144 0.667 4.353
220 HZ2 LYS 33 1HZ LYS 33 -11.497 -0.339 3.156
221 HZ3 LYS 33 2HZ LYS 33 -10.864 1.212 3.391
222 H THR 34 H THR 34 -5.957 3.260 7.946
223 HA THR 34 HA THR 34 -6.531 5.444 9.465
224 HB THR 34 HB THR 34 -4.433 5.088 10.678
225 HG1 THR 34 HG1 THR 34 -3.672 3.072 8.873
226 HG21 THR 34 3HG2 THR 34 -4.707 2.384 10.623
227 HG22 THR 34 1HG2 THR 34 -6.240 2.896 9.919
228 HG23 THR 34 2HG2 THR 34 -5.766 3.474 11.517
229 H HIS 35 H HIS 35 -3.899 5.182 7.097
230 HA HIS 35 HA HIS 35 -2.919 7.820 7.545
231 HB2 HIS 35 1HB HIS 35 -2.519 5.947 5.203
232 HB3 HIS 35 2HB HIS 35 -1.618 7.437 5.466
233 HD1 HIS 35 HD1 HIS 35 -0.250 7.450 7.858
234 HD2 HIS 35 HD2 HIS 35 -1.340 3.764 6.284
235 HE1 HIS 35 HE1 HIS 35 1.226 5.767 9.004
236 H SER 36 H SER 36 -3.961 9.618 7.033
237 HA SER 36 HA SER 36 -5.897 9.581 4.834
238 HB2 SER 36 1HB SER 36 -6.574 10.420 7.113
239 HB3 SER 36 2HB SER 36 -5.458 11.766 6.880
240 HG SER 36 HG SER 36 -7.634 12.255 6.267
241 H GLY 37 H GLY 37 -4.369 9.654 3.126
242 HA2 GLY 37 1HA GLY 37 -2.943 12.231 2.890
243 HA3 GLY 37 2HA GLY 37 -2.398 10.734 2.148
244 H GLN 38 H GLN 38 -3.359 10.011 0.249
245 HA GLN 38 HA GLN 38 -4.788 12.091 -1.221
246 HB2 GLN 38 1HB GLN 38 -2.705 10.895 -2.106
247 HB3 GLN 38 2HB GLN 38 -3.748 9.500 -2.350
248 HG2 GLN 38 1HG GLN 38 -5.218 10.982 -3.752
249 HG3 GLN 38 2HG GLN 38 -3.943 12.196 -3.658
250 HE21 GLN 38 1HE2 GLN 38 -5.030 10.759 -5.965
251 HE22 GLN 38 2HE2 GLN 38 -3.684 9.973 -6.709
252 H SER 39 H SER 39 -6.889 11.920 -0.502
253 HA SER 39 HA SER 39 -8.401 9.709 -1.599
254 HB2 SER 39 1HB SER 39 -9.481 9.069 0.467
255 HB3 SER 39 2HB SER 39 -7.736 8.940 0.690
256 HG SER 39 HG SER 39 -8.231 10.093 2.408
257 H GLY 40 H GLY 40 -10.437 10.295 -2.181
258 HA2 GLY 40 1HA GLY 40 -11.249 13.046 -1.472
259 HA3 GLY 40 2HA GLY 40 -11.590 12.290 -3.021
260 HA PRO 41 HA PRO 41 -14.492 10.313 0.346
261 HB2 PRO 41 1HB PRO 41 -14.854 11.843 2.559
262 HB3 PRO 41 2HB PRO 41 -13.606 10.597 2.447
263 HG2 PRO 41 1HG PRO 41 -13.362 13.559 2.087
264 HG3 PRO 41 2HG PRO 41 -12.289 12.445 2.954
265 HD2 PRO 41 1HD PRO 41 -11.743 13.350 0.461
266 HD3 PRO 41 2HD PRO 41 -11.254 11.738 1.019
267 H SER 42 H SER 42 -15.960 10.907 -1.290
268 HA SER 42 HA SER 42 -17.261 13.515 -1.065
269 HB2 SER 42 1HB SER 42 -16.622 12.838 -3.311
270 HB3 SER 42 2HB SER 42 -17.517 11.328 -3.144
271 HG SER 42 HG SER 42 -19.383 12.835 -2.739
272 H SER 43 H SER 43 -18.732 13.522 0.531
273 HA SER 43 HA SER 43 -20.934 11.606 0.341
274 HB2 SER 43 1HB SER 43 -20.923 11.099 2.687
275 HB3 SER 43 2HB SER 43 -19.291 10.808 2.084
276 HG SER 43 HG SER 43 -19.074 13.192 2.796
277 H GLY 44 H GLY 44 -22.751 12.302 1.906
278 HA2 GLY 44 1HA GLY 44 -22.950 14.944 2.830
279 HA3 GLY 44 2HA GLY 44 -23.575 14.893 1.189
Start of MODEL 3
1 H1 GLY 1 H GLY 1 30.581 -12.950 -12.051
2 HA2 GLY 1 1HA GLY 1 30.855 -14.667 -10.344
3 HA3 GLY 1 2HA GLY 1 30.441 -13.451 -9.145
4 H SER 2 H SER 2 28.951 -15.300 -8.560
5 HA SER 2 HA SER 2 26.357 -14.789 -9.810
6 HB2 SER 2 1HB SER 2 27.048 -16.790 -10.940
7 HB3 SER 2 2HB SER 2 27.580 -17.528 -9.429
8 HG SER 2 HG SER 2 24.902 -16.726 -9.754
9 H SER 3 H SER 3 25.062 -14.135 -8.239
10 HA SER 3 HA SER 3 24.823 -15.663 -5.797
11 HB2 SER 3 1HB SER 3 25.108 -13.600 -4.362
12 HB3 SER 3 2HB SER 3 26.594 -14.213 -5.088
13 HG SER 3 HG SER 3 25.029 -12.132 -6.210
14 H GLY 4 H GLY 4 22.875 -15.309 -4.707
15 HA2 GLY 4 1HA GLY 4 20.875 -13.887 -6.316
16 HA3 GLY 4 2HA GLY 4 20.539 -15.124 -5.115
17 H SER 5 H SER 5 20.082 -14.534 -3.062
18 HA SER 5 HA SER 5 20.785 -11.933 -2.042
19 HB2 SER 5 1HB SER 5 18.595 -11.038 -1.786
20 HB3 SER 5 2HB SER 5 18.700 -11.576 -3.462
21 HG SER 5 HG SER 5 17.025 -12.753 -3.037
22 H SER 6 H SER 6 19.723 -11.621 0.191
23 HA SER 6 HA SER 6 20.375 -13.891 1.768
24 HB2 SER 6 1HB SER 6 19.529 -12.475 3.670
25 HB3 SER 6 2HB SER 6 20.767 -11.701 2.681
26 HG SER 6 HG SER 6 19.346 -10.286 1.986
27 H GLY 7 H GLY 7 17.317 -12.346 0.865
28 HA2 GLY 7 1HA GLY 7 15.194 -13.237 0.753
29 HA3 GLY 7 2HA GLY 7 15.893 -14.812 1.100
30 H THR 8 H THR 8 15.936 -11.825 3.017
31 HA THR 8 HA THR 8 15.612 -12.971 5.488
32 HB THR 8 HB THR 8 14.445 -10.308 4.655
33 HG1 THR 8 HG1 THR 8 16.988 -10.713 5.836
34 HG21 THR 8 3HG2 THR 8 15.460 -11.165 7.361
35 HG22 THR 8 1HG2 THR 8 13.761 -11.241 6.895
36 HG23 THR 8 2HG2 THR 8 14.591 -9.686 6.951
37 H GLY 9 H GLY 9 13.048 -11.853 3.293
38 HA2 GLY 9 1HA GLY 9 11.233 -13.856 4.169
39 HA3 GLY 9 2HA GLY 9 10.843 -12.311 4.910
40 H GLU 10 H GLU 10 8.846 -13.074 3.542
41 HA GLU 10 HA GLU 10 9.089 -11.872 0.862
42 HB2 GLU 10 1HB GLU 10 7.155 -13.980 1.839
43 HB3 GLU 10 2HB GLU 10 7.106 -13.237 0.247
44 HG2 GLU 10 1HG GLU 10 8.994 -14.330 -0.475
45 HG3 GLU 10 2HG GLU 10 9.608 -14.572 1.159
46 H ASN 11 H ASN 11 8.639 -9.764 1.470
47 HA ASN 11 HA ASN 11 5.980 -9.292 2.643
48 HB2 ASN 11 1HB ASN 11 6.995 -6.933 3.037
49 HB3 ASN 11 2HB ASN 11 7.494 -8.257 4.087
50 HD21 ASN 11 1HD2 ASN 11 9.580 -8.401 4.427
51 HD22 ASN 11 2HD2 ASN 11 10.830 -7.846 3.371
52 HA PRO 12 HA PRO 12 5.588 -8.003 -1.768
53 HB2 PRO 12 1HB PRO 12 3.025 -8.864 -2.014
54 HB3 PRO 12 2HB PRO 12 4.421 -9.923 -2.249
55 HG2 PRO 12 1HG PRO 12 2.662 -9.612 0.154
56 HG3 PRO 12 2HG PRO 12 3.299 -11.094 -0.582
57 HD2 PRO 12 1HD PRO 12 4.399 -9.973 1.624
58 HD3 PRO 12 2HD PRO 12 5.361 -10.854 0.420
59 H TYR 13 H TYR 13 3.985 -7.283 1.177
60 HA TYR 13 HA TYR 13 2.877 -4.835 -0.026
61 HB2 TYR 13 1HB TYR 13 1.606 -6.359 2.252
62 HB3 TYR 13 2HB TYR 13 0.952 -4.955 1.417
63 HD1 TYR 13 HD2 TYR 13 0.067 -5.174 -0.872
64 HD2 TYR 13 HD1 TYR 13 1.414 -8.562 1.320
65 HE1 TYR 13 HE2 TYR 13 -1.107 -6.653 -2.448
66 HE2 TYR 13 HE1 TYR 13 0.245 -10.051 -0.250
67 HH TYR 13 HH TYR 13 -1.884 -8.795 -2.733
68 H GLU 14 H GLU 14 4.235 -3.292 0.646
69 HA GLU 14 HA GLU 14 4.754 -3.101 3.537
70 HB2 GLU 14 1HB GLU 14 6.851 -3.759 2.751
71 HB3 GLU 14 2HB GLU 14 6.683 -2.851 1.255
72 HG2 GLU 14 1HG GLU 14 6.878 -0.756 2.553
73 HG3 GLU 14 2HG GLU 14 7.166 -1.720 4.001
74 H CYS 15 H CYS 15 3.439 -1.471 4.105
75 HA CYS 15 HA CYS 15 2.539 0.635 2.582
76 HB2 CYS 15 1HB CYS 15 1.603 0.126 4.769
77 HB3 CYS 15 2HB CYS 15 3.109 0.593 5.552
78 H CYS 16 H CYS 16 3.247 2.647 2.043
79 HA CYS 16 HA CYS 16 6.093 3.172 2.495
80 HB2 CYS 16 1HB CYS 16 5.679 4.944 0.684
81 HB3 CYS 16 2HB CYS 16 5.615 3.254 0.193
82 H GLU 17 H GLU 17 2.906 4.513 3.043
83 HA GLU 17 HA GLU 17 3.442 7.119 3.704
84 HB2 GLU 17 1HB GLU 17 1.501 5.161 4.918
85 HB3 GLU 17 2HB GLU 17 1.550 6.850 5.402
86 HG2 GLU 17 1HG GLU 17 0.721 7.595 3.404
87 HG3 GLU 17 2HG GLU 17 1.317 6.197 2.511
88 H CYS 18 H CYS 18 3.446 4.382 5.994
89 HA CYS 18 HA CYS 18 5.128 5.997 7.789
90 HB2 CYS 18 1HB CYS 18 4.359 4.550 9.597
91 HB3 CYS 18 2HB CYS 18 2.983 5.247 8.747
92 H GLY 19 H GLY 19 4.724 2.709 6.498
93 HA2 GLY 19 1HA GLY 19 6.842 1.758 5.564
94 HA3 GLY 19 2HA GLY 19 7.585 2.247 7.080
95 H LYS 20 H LYS 20 4.360 0.972 7.074
96 HA LYS 20 HA LYS 20 5.227 -1.252 8.712
97 HB2 LYS 20 1HB LYS 20 3.090 0.255 8.967
98 HB3 LYS 20 2HB LYS 20 2.398 -0.873 7.809
99 HG2 LYS 20 1HG LYS 20 2.675 -2.702 9.282
100 HG3 LYS 20 2HG LYS 20 3.698 -1.759 10.369
101 HD2 LYS 20 1HD LYS 20 1.798 -0.327 10.924
102 HD3 LYS 20 2HD LYS 20 0.774 -1.245 9.817
103 HE2 LYS 20 1HE LYS 20 1.611 -3.272 11.289
104 HE3 LYS 20 2HE LYS 20 1.858 -2.000 12.485
105 HZ1 LYS 20 3HZ LYS 20 -0.329 -2.973 12.708
106 HZ2 LYS 20 1HZ LYS 20 -0.695 -2.613 11.095
107 HZ3 LYS 20 2HZ LYS 20 -0.467 -1.362 12.211
108 H VAL 21 H VAL 21 4.870 -3.442 8.257
109 HA VAL 21 HA VAL 21 4.516 -4.043 5.393
110 HB VAL 21 HB VAL 21 6.012 -5.721 7.408
111 HG11 VAL 21 1HG1 VAL 21 6.986 -6.565 5.135
112 HG12 VAL 21 2HG1 VAL 21 5.433 -7.171 5.714
113 HG13 VAL 21 3HG1 VAL 21 5.485 -5.915 4.476
114 HG21 VAL 21 3HG2 VAL 21 6.810 -3.296 6.127
115 HG22 VAL 21 1HG2 VAL 21 7.732 -4.330 7.219
116 HG23 VAL 21 2HG2 VAL 21 7.765 -4.630 5.481
117 H PHE 22 H PHE 22 3.580 -6.171 4.902
118 HA PHE 22 HA PHE 22 1.970 -7.396 6.986
119 HB2 PHE 22 1HB PHE 22 0.710 -6.175 4.520
120 HB3 PHE 22 2HB PHE 22 -0.127 -7.175 5.704
121 HD1 PHE 22 HD2 PHE 22 1.589 -3.946 5.198
122 HD2 PHE 22 HD1 PHE 22 -0.944 -6.261 7.716
123 HE1 PHE 22 HE2 PHE 22 1.073 -1.937 6.521
124 HE2 PHE 22 HE1 PHE 22 -1.465 -4.255 9.042
125 HZ PHE 22 HZ PHE 22 -0.455 -2.090 8.446
126 H SER 23 H SER 23 0.538 -9.188 5.846
127 HA SER 23 HA SER 23 2.350 -10.625 4.023
128 HB2 SER 23 1HB SER 23 0.449 -11.596 6.151
129 HB3 SER 23 2HB SER 23 1.056 -12.673 4.893
130 HG SER 23 HG SER 23 2.270 -12.492 6.978
131 H ARG 24 H ARG 24 -1.022 -9.815 4.666
132 HA ARG 24 HA ARG 24 -1.660 -10.602 1.898
133 HB2 ARG 24 1HB ARG 24 -3.526 -10.681 4.276
134 HB3 ARG 24 2HB ARG 24 -3.916 -11.162 2.630
135 HG2 ARG 24 1HG ARG 24 -3.518 -13.195 3.596
136 HG3 ARG 24 2HG ARG 24 -1.918 -12.815 2.956
137 HD2 ARG 24 1HD ARG 24 -1.247 -11.964 5.151
138 HD3 ARG 24 2HD ARG 24 -2.846 -12.346 5.787
139 HE ARG 24 HE ARG 24 -1.844 -14.694 4.725
140 HH11 ARG 24 1HH1 ARG 24 -0.981 -12.443 7.237
141 HH12 ARG 24 2HH1 ARG 24 -0.207 -13.640 8.223
142 HH21 ARG 24 1HH2 ARG 24 -0.828 -16.278 6.014
143 HH22 ARG 24 2HH2 ARG 24 -0.120 -15.820 7.526
144 H LYS 25 H LYS 25 -2.405 -9.032 0.630
145 HA LYS 25 HA LYS 25 -2.354 -6.388 1.087
146 HB2 LYS 25 1HB LYS 25 -2.896 -7.515 -1.091
147 HB3 LYS 25 2HB LYS 25 -4.554 -7.684 -0.529
148 HG2 LYS 25 1HG LYS 25 -4.876 -5.333 -0.506
149 HG3 LYS 25 2HG LYS 25 -3.155 -5.033 -0.757
150 HD2 LYS 25 1HD LYS 25 -4.236 -4.684 -2.848
151 HD3 LYS 25 2HD LYS 25 -3.376 -6.221 -2.963
152 HE2 LYS 25 1HE LYS 25 -5.685 -7.187 -2.145
153 HE3 LYS 25 2HE LYS 25 -6.302 -5.679 -2.819
154 HZ1 LYS 25 3HZ LYS 25 -4.462 -7.217 -4.479
155 HZ2 LYS 25 1HZ LYS 25 -5.822 -6.313 -4.922
156 HZ3 LYS 25 2HZ LYS 25 -6.012 -7.860 -4.263
157 H ASP 26 H ASP 26 -5.168 -8.457 1.727
158 HA ASP 26 HA ASP 26 -7.034 -6.627 2.511
159 HB2 ASP 26 1HB ASP 26 -6.420 -9.412 3.383
160 HB3 ASP 26 2HB ASP 26 -7.600 -8.494 4.315
161 H GLN 27 H GLN 27 -4.558 -8.078 4.621
162 HA GLN 27 HA GLN 27 -5.220 -6.611 6.923
163 HB2 GLN 27 1HB GLN 27 -2.549 -7.780 6.124
164 HB3 GLN 27 2HB GLN 27 -2.989 -7.255 7.744
165 HG2 GLN 27 1HG GLN 27 -4.026 -9.597 6.191
166 HG3 GLN 27 2HG GLN 27 -3.229 -9.579 7.763
167 HE21 GLN 27 1HE2 GLN 27 -6.136 -9.834 6.215
168 HE22 GLN 27 2HE2 GLN 27 -7.190 -9.463 7.532
169 H LEU 28 H LEU 28 -3.489 -5.745 4.074
170 HA LEU 28 HA LEU 28 -2.109 -3.507 5.254
171 HB2 LEU 28 1HB LEU 28 -1.190 -4.735 3.334
172 HB3 LEU 28 2HB LEU 28 -2.561 -4.214 2.357
173 HG LEU 28 HG LEU 28 -1.664 -1.814 3.042
174 HD11 LEU 28 1HD1 LEU 28 0.695 -3.642 3.359
175 HD12 LEU 28 2HD1 LEU 28 0.126 -2.376 4.446
176 HD13 LEU 28 3HD1 LEU 28 0.876 -1.947 2.908
177 HD21 LEU 28 3HD2 LEU 28 -0.103 -3.237 0.934
178 HD22 LEU 28 1HD2 LEU 28 -0.845 -1.638 0.899
179 HD23 LEU 28 2HD2 LEU 28 -1.852 -3.080 0.763
180 H VAL 29 H VAL 29 -4.939 -3.979 3.174
181 HA VAL 29 HA VAL 29 -5.570 -1.331 2.645
182 HB VAL 29 HB VAL 29 -7.458 -3.648 3.087
183 HG11 VAL 29 1HG1 VAL 29 -7.987 -1.028 1.691
184 HG12 VAL 29 2HG1 VAL 29 -9.122 -2.363 1.902
185 HG13 VAL 29 3HG1 VAL 29 -8.565 -1.448 3.303
186 HG21 VAL 29 3HG2 VAL 29 -7.494 -3.506 0.519
187 HG22 VAL 29 1HG2 VAL 29 -6.005 -2.577 0.692
188 HG23 VAL 29 2HG2 VAL 29 -6.086 -4.234 1.291
189 H SER 30 H SER 30 -6.696 -3.355 5.351
190 HA SER 30 HA SER 30 -8.301 -1.491 6.625
191 HB2 SER 30 1HB SER 30 -8.289 -3.804 7.332
192 HB3 SER 30 2HB SER 30 -6.598 -3.689 7.820
193 HG SER 30 HG SER 30 -8.664 -3.273 9.330
194 H HIS 31 H HIS 31 -4.810 -1.962 6.839
195 HA HIS 31 HA HIS 31 -4.386 -0.079 8.923
196 HB2 HIS 31 1HB HIS 31 -2.658 -1.645 8.642
197 HB3 HIS 31 2HB HIS 31 -2.593 -1.397 6.900
198 HD1 HIS 31 HD1 HIS 31 -1.907 0.648 10.040
199 HD2 HIS 31 HD2 HIS 31 -0.523 0.165 6.152
200 HE1 HIS 31 HE1 HIS 31 0.086 2.169 9.842
201 H GLN 32 H GLN 32 -3.819 0.116 5.408
202 HA GLN 32 HA GLN 32 -2.966 2.722 5.229
203 HB2 GLN 32 1HB GLN 32 -4.652 1.084 3.344
204 HB3 GLN 32 2HB GLN 32 -4.081 2.695 2.932
205 HG2 GLN 32 1HG GLN 32 -1.755 1.890 3.333
206 HG3 GLN 32 2HG GLN 32 -2.413 0.265 3.520
207 HE21 GLN 32 1HE2 GLN 32 -0.625 0.404 1.657
208 HE22 GLN 32 2HE2 GLN 32 -1.305 0.452 0.070
209 H LYS 33 H LYS 33 -6.067 1.579 6.117
210 HA LYS 33 HA LYS 33 -7.495 3.988 5.438
211 HB2 LYS 33 1HB LYS 33 -8.218 1.531 7.030
212 HB3 LYS 33 2HB LYS 33 -9.309 2.900 6.862
213 HG2 LYS 33 1HG LYS 33 -9.503 2.580 4.528
214 HG3 LYS 33 2HG LYS 33 -8.160 1.435 4.504
215 HD2 LYS 33 1HD LYS 33 -9.905 -0.037 4.463
216 HD3 LYS 33 2HD LYS 33 -9.720 0.139 6.210
217 HE2 LYS 33 1HE LYS 33 -11.526 2.006 4.746
218 HE3 LYS 33 2HE LYS 33 -12.076 0.362 5.067
219 HZ1 LYS 33 3HZ LYS 33 -12.111 2.522 6.802
220 HZ2 LYS 33 1HZ LYS 33 -10.934 1.464 7.401
221 HZ3 LYS 33 2HZ LYS 33 -12.514 0.917 7.151
222 H THR 34 H THR 34 -5.128 3.723 7.471
223 HA THR 34 HA THR 34 -6.431 5.103 9.718
224 HB THR 34 HB THR 34 -4.527 4.554 11.073
225 HG1 THR 34 HG1 THR 34 -3.392 3.735 8.607
226 HG21 THR 34 3HG2 THR 34 -5.798 2.687 11.273
227 HG22 THR 34 1HG2 THR 34 -4.431 1.940 10.447
228 HG23 THR 34 2HG2 THR 34 -5.863 2.414 9.532
229 H HIS 35 H HIS 35 -4.128 5.458 7.151
230 HA HIS 35 HA HIS 35 -2.981 7.895 8.189
231 HB2 HIS 35 1HB HIS 35 -2.743 6.664 5.436
232 HB3 HIS 35 2HB HIS 35 -1.754 7.975 6.072
233 HD1 HIS 35 HD1 HIS 35 -0.476 7.177 8.457
234 HD2 HIS 35 HD2 HIS 35 -1.511 4.280 5.665
235 HE1 HIS 35 HE1 HIS 35 0.969 5.188 8.985
236 H SER 36 H SER 36 -4.983 9.069 8.468
237 HA SER 36 HA SER 36 -5.604 10.666 6.148
238 HB2 SER 36 1HB SER 36 -7.137 8.676 5.963
239 HB3 SER 36 2HB SER 36 -7.865 9.170 7.491
240 HG SER 36 HG SER 36 -9.105 10.272 6.173
241 H GLY 37 H GLY 37 -6.676 12.618 6.662
242 HA2 GLY 37 1HA GLY 37 -7.951 13.800 8.489
243 HA3 GLY 37 2HA GLY 37 -6.684 13.212 9.556
244 H GLN 38 H GLN 38 -7.093 15.829 9.625
245 HA GLN 38 HA GLN 38 -4.664 16.884 8.408
246 HB2 GLN 38 1HB GLN 38 -7.370 18.189 8.068
247 HB3 GLN 38 2HB GLN 38 -5.834 18.925 7.631
248 HG2 GLN 38 1HG GLN 38 -5.491 16.899 6.120
249 HG3 GLN 38 2HG GLN 38 -7.205 16.576 6.374
250 HE21 GLN 38 1HE2 GLN 38 -4.884 18.453 4.724
251 HE22 GLN 38 2HE2 GLN 38 -5.980 19.429 3.813
252 H SER 39 H SER 39 -3.595 18.250 9.720
253 HA SER 39 HA SER 39 -3.871 18.424 12.369
254 HB2 SER 39 1HB SER 39 -2.077 19.503 10.893
255 HB3 SER 39 2HB SER 39 -3.137 20.911 10.827
256 HG SER 39 HG SER 39 -2.579 19.829 13.335
257 H GLY 40 H GLY 40 -5.578 18.839 13.602
258 HA2 GLY 40 1HA GLY 40 -6.782 21.030 14.315
259 HA3 GLY 40 2HA GLY 40 -7.513 20.868 12.725
260 HA PRO 41 HA PRO 41 -9.095 17.078 15.276
261 HB2 PRO 41 1HB PRO 41 -8.461 17.029 17.915
262 HB3 PRO 41 2HB PRO 41 -7.451 16.283 16.671
263 HG2 PRO 41 1HG PRO 41 -7.138 18.934 18.028
264 HG3 PRO 41 2HG PRO 41 -5.903 17.721 17.642
265 HD2 PRO 41 1HD PRO 41 -6.289 19.939 16.137
266 HD3 PRO 41 2HD PRO 41 -5.747 18.397 15.444
267 H SER 42 H SER 42 -11.050 16.921 16.404
268 HA SER 42 HA SER 42 -12.546 19.266 16.673
269 HB2 SER 42 1HB SER 42 -13.474 16.963 16.306
270 HB3 SER 42 2HB SER 42 -13.144 16.613 18.002
271 HG SER 42 HG SER 42 -14.663 18.871 17.285
272 H SER 43 H SER 43 -11.272 17.129 19.226
273 HA SER 43 HA SER 43 -12.050 18.847 21.351
274 HB2 SER 43 1HB SER 43 -11.716 16.474 21.753
275 HB3 SER 43 2HB SER 43 -10.025 16.598 21.269
276 HG SER 43 HG SER 43 -11.272 17.410 23.626
277 H GLY 44 H GLY 44 -11.268 20.913 20.978
278 HA2 GLY 44 1HA GLY 44 -8.858 21.798 20.118
279 HA3 GLY 44 2HA GLY 44 -9.746 22.600 21.405
Start of MODEL 4
1 H1 GLY 1 H GLY 1 31.913 -11.843 7.456
2 HA2 GLY 1 1HA GLY 1 32.736 -10.490 9.932
3 HA3 GLY 1 2HA GLY 1 31.511 -9.916 8.810
4 H SER 2 H SER 2 29.622 -11.565 8.566
5 HA SER 2 HA SER 2 28.997 -12.950 11.044
6 HB2 SER 2 1HB SER 2 28.279 -10.526 11.306
7 HB3 SER 2 2HB SER 2 27.108 -10.824 10.021
8 HG SER 2 HG SER 2 25.902 -11.464 11.624
9 H SER 3 H SER 3 27.480 -14.560 10.807
10 HA SER 3 HA SER 3 26.496 -14.991 8.062
11 HB2 SER 3 1HB SER 3 26.605 -17.417 8.551
12 HB3 SER 3 2HB SER 3 28.185 -16.645 8.674
13 HG SER 3 HG SER 3 26.676 -17.877 10.603
14 H GLY 4 H GLY 4 24.364 -14.987 7.815
15 HA2 GLY 4 1HA GLY 4 22.665 -15.882 10.036
16 HA3 GLY 4 2HA GLY 4 22.390 -14.283 9.360
17 H SER 5 H SER 5 20.252 -15.723 9.246
18 HA SER 5 HA SER 5 20.177 -16.951 6.570
19 HB2 SER 5 1HB SER 5 18.230 -18.219 7.325
20 HB3 SER 5 2HB SER 5 19.585 -18.485 8.421
21 HG SER 5 HG SER 5 18.645 -17.074 9.883
22 H SER 6 H SER 6 19.813 -15.070 5.404
23 HA SER 6 HA SER 6 17.460 -13.469 6.079
24 HB2 SER 6 1HB SER 6 19.713 -12.423 5.489
25 HB3 SER 6 2HB SER 6 19.408 -12.945 3.832
26 HG SER 6 HG SER 6 18.548 -10.966 3.870
27 H GLY 7 H GLY 7 15.731 -13.172 4.679
28 HA2 GLY 7 1HA GLY 7 14.645 -13.471 2.555
29 HA3 GLY 7 2HA GLY 7 15.674 -14.867 2.272
30 H THR 8 H THR 8 13.326 -13.773 4.725
31 HA THR 8 HA THR 8 12.071 -16.434 4.550
32 HB THR 8 HB THR 8 12.992 -16.627 6.648
33 HG1 THR 8 HG1 THR 8 11.260 -15.821 8.176
34 HG21 THR 8 3HG2 THR 8 14.167 -14.645 6.967
35 HG22 THR 8 1HG2 THR 8 12.968 -14.594 8.259
36 HG23 THR 8 2HG2 THR 8 12.725 -13.646 6.792
37 H GLY 9 H GLY 9 10.000 -16.365 3.981
38 HA2 GLY 9 1HA GLY 9 7.936 -15.508 3.435
39 HA3 GLY 9 2HA GLY 9 8.000 -14.812 5.048
40 H GLU 10 H GLU 10 8.887 -14.243 1.672
41 HA GLU 10 HA GLU 10 9.803 -11.662 1.781
42 HB2 GLU 10 1HB GLU 10 9.678 -13.041 -0.274
43 HB3 GLU 10 2HB GLU 10 7.940 -12.781 -0.320
44 HG2 GLU 10 1HG GLU 10 8.856 -11.265 -1.856
45 HG3 GLU 10 2HG GLU 10 8.438 -10.310 -0.435
46 H ASN 11 H ASN 11 8.817 -9.602 1.470
47 HA ASN 11 HA ASN 11 6.089 -9.465 2.570
48 HB2 ASN 11 1HB ASN 11 8.039 -7.175 2.600
49 HB3 ASN 11 2HB ASN 11 6.639 -7.445 3.634
50 HD21 ASN 11 1HD2 ASN 11 9.951 -7.656 3.400
51 HD22 ASN 11 2HD2 ASN 11 10.253 -8.671 4.765
52 HA PRO 12 HA PRO 12 5.700 -7.994 -1.784
53 HB2 PRO 12 1HB PRO 12 3.251 -9.103 -2.165
54 HB3 PRO 12 2HB PRO 12 4.757 -9.997 -2.401
55 HG2 PRO 12 1HG PRO 12 2.902 -9.997 -0.051
56 HG3 PRO 12 2HG PRO 12 3.715 -11.364 -0.835
57 HD2 PRO 12 1HD PRO 12 4.622 -10.253 1.462
58 HD3 PRO 12 2HD PRO 12 5.708 -10.965 0.251
59 H TYR 13 H TYR 13 4.229 -7.380 1.163
60 HA TYR 13 HA TYR 13 2.779 -5.098 0.019
61 HB2 TYR 13 1HB TYR 13 1.695 -6.841 2.240
62 HB3 TYR 13 2HB TYR 13 0.904 -5.442 1.522
63 HD1 TYR 13 HD2 TYR 13 0.119 -5.569 -0.855
64 HD2 TYR 13 HD1 TYR 13 1.528 -8.987 1.250
65 HE1 TYR 13 HE2 TYR 13 -0.968 -7.028 -2.510
66 HE2 TYR 13 HE1 TYR 13 0.446 -10.456 -0.400
67 HH TYR 13 HH TYR 13 -0.285 -9.931 -3.130
68 H GLU 14 H GLU 14 3.983 -3.444 0.720
69 HA GLU 14 HA GLU 14 4.435 -3.223 3.614
70 HB2 GLU 14 1HB GLU 14 6.547 -3.913 2.554
71 HB3 GLU 14 2HB GLU 14 6.457 -2.528 1.476
72 HG2 GLU 14 1HG GLU 14 6.649 -1.017 3.367
73 HG3 GLU 14 2HG GLU 14 6.687 -2.389 4.474
74 H CYS 15 H CYS 15 3.327 -1.522 4.294
75 HA CYS 15 HA CYS 15 2.224 0.468 2.696
76 HB2 CYS 15 1HB CYS 15 1.333 0.089 4.887
77 HB3 CYS 15 2HB CYS 15 2.882 0.446 5.643
78 H CYS 16 H CYS 16 2.764 2.620 2.291
79 HA CYS 16 HA CYS 16 5.633 3.218 2.560
80 HB2 CYS 16 1HB CYS 16 4.935 3.073 0.246
81 HB3 CYS 16 2HB CYS 16 3.605 4.189 0.538
82 H GLU 17 H GLU 17 2.442 4.278 3.338
83 HA GLU 17 HA GLU 17 2.850 6.999 3.786
84 HB2 GLU 17 1HB GLU 17 0.961 4.960 4.874
85 HB3 GLU 17 2HB GLU 17 1.039 6.531 5.658
86 HG2 GLU 17 1HG GLU 17 0.324 5.945 2.800
87 HG3 GLU 17 2HG GLU 17 -0.722 6.588 4.064
88 H CYS 18 H CYS 18 3.286 4.251 5.992
89 HA CYS 18 HA CYS 18 4.838 6.030 7.758
90 HB2 CYS 18 1HB CYS 18 4.127 4.743 9.653
91 HB3 CYS 18 2HB CYS 18 2.688 5.172 8.733
92 H GLY 19 H GLY 19 4.613 2.880 6.226
93 HA2 GLY 19 1HA GLY 19 6.686 1.907 5.390
94 HA3 GLY 19 2HA GLY 19 7.466 2.464 6.864
95 H LYS 20 H LYS 20 4.297 1.055 7.001
96 HA LYS 20 HA LYS 20 5.298 -1.070 8.684
97 HB2 LYS 20 1HB LYS 20 2.613 0.006 7.962
98 HB3 LYS 20 2HB LYS 20 2.707 -1.649 8.550
99 HG2 LYS 20 1HG LYS 20 4.043 0.537 10.078
100 HG3 LYS 20 2HG LYS 20 2.298 0.308 10.210
101 HD2 LYS 20 1HD LYS 20 3.024 -1.037 11.920
102 HD3 LYS 20 2HD LYS 20 2.988 -2.202 10.595
103 HE2 LYS 20 1HE LYS 20 5.266 -2.313 10.450
104 HE3 LYS 20 2HE LYS 20 5.491 -0.662 11.027
105 HZ1 LYS 20 3HZ LYS 20 4.473 -1.814 13.198
106 HZ2 LYS 20 1HZ LYS 20 6.134 -1.719 12.888
107 HZ3 LYS 20 2HZ LYS 20 5.285 -3.137 12.528
108 H VAL 21 H VAL 21 4.521 -3.327 8.357
109 HA VAL 21 HA VAL 21 4.388 -4.028 5.498
110 HB VAL 21 HB VAL 21 5.890 -5.602 7.592
111 HG11 VAL 21 1HG1 VAL 21 6.856 -6.646 5.461
112 HG12 VAL 21 2HG1 VAL 21 5.213 -7.096 5.923
113 HG13 VAL 21 3HG1 VAL 21 5.477 -5.918 4.636
114 HG21 VAL 21 3HG2 VAL 21 7.829 -4.561 7.052
115 HG22 VAL 21 1HG2 VAL 21 7.333 -4.266 5.385
116 HG23 VAL 21 2HG2 VAL 21 6.736 -3.228 6.679
117 H PHE 22 H PHE 22 3.519 -6.227 5.107
118 HA PHE 22 HA PHE 22 1.927 -7.419 7.202
119 HB2 PHE 22 1HB PHE 22 0.604 -6.135 4.804
120 HB3 PHE 22 2HB PHE 22 -0.205 -7.210 5.939
121 HD1 PHE 22 HD2 PHE 22 1.632 -3.990 5.738
122 HD2 PHE 22 HD1 PHE 22 -1.192 -6.362 7.862
123 HE1 PHE 22 HE2 PHE 22 1.099 -2.064 7.173
124 HE2 PHE 22 HE1 PHE 22 -1.731 -4.440 9.300
125 HZ PHE 22 HZ PHE 22 -0.584 -2.288 8.958
126 H SER 23 H SER 23 0.451 -9.196 6.076
127 HA SER 23 HA SER 23 2.277 -10.713 4.357
128 HB2 SER 23 1HB SER 23 -0.015 -11.536 6.140
129 HB3 SER 23 2HB SER 23 0.729 -12.646 4.989
130 HG SER 23 HG SER 23 1.533 -12.263 7.383
131 H ARG 24 H ARG 24 -1.175 -9.898 4.632
132 HA ARG 24 HA ARG 24 -1.423 -10.381 1.735
133 HB2 ARG 24 1HB ARG 24 -3.552 -10.658 3.865
134 HB3 ARG 24 2HB ARG 24 -3.798 -10.895 2.140
135 HG2 ARG 24 1HG ARG 24 -2.548 -12.864 2.110
136 HG3 ARG 24 2HG ARG 24 -1.783 -12.507 3.660
137 HD2 ARG 24 1HD ARG 24 -3.321 -14.060 4.327
138 HD3 ARG 24 2HD ARG 24 -4.270 -12.587 4.522
139 HE ARG 24 HE ARG 24 -4.538 -13.807 1.932
140 HH11 ARG 24 1HH1 ARG 24 -5.709 -13.747 5.210
141 HH12 ARG 24 2HH1 ARG 24 -7.263 -14.398 4.805
142 HH21 ARG 24 1HH2 ARG 24 -6.580 -14.665 1.386
143 HH22 ARG 24 2HH2 ARG 24 -7.757 -14.920 2.630
144 H LYS 25 H LYS 25 -2.395 -8.843 0.484
145 HA LYS 25 HA LYS 25 -2.203 -6.197 1.033
146 HB2 LYS 25 1HB LYS 25 -2.686 -6.917 -1.198
147 HB3 LYS 25 2HB LYS 25 -4.228 -7.606 -0.707
148 HG2 LYS 25 1HG LYS 25 -4.615 -5.552 -1.880
149 HG3 LYS 25 2HG LYS 25 -5.035 -5.331 -0.180
150 HD2 LYS 25 1HD LYS 25 -3.818 -3.429 -0.514
151 HD3 LYS 25 2HD LYS 25 -2.514 -4.524 -0.045
152 HE2 LYS 25 1HE LYS 25 -1.661 -3.520 -1.947
153 HE3 LYS 25 2HE LYS 25 -2.349 -5.013 -2.585
154 HZ1 LYS 25 3HZ LYS 25 -2.965 -2.376 -3.298
155 HZ2 LYS 25 1HZ LYS 25 -4.347 -3.059 -2.601
156 HZ3 LYS 25 2HZ LYS 25 -3.609 -3.808 -3.925
157 H ASP 26 H ASP 26 -5.187 -8.105 1.431
158 HA ASP 26 HA ASP 26 -6.944 -6.270 2.341
159 HB2 ASP 26 1HB ASP 26 -7.333 -8.748 2.145
160 HB3 ASP 26 2HB ASP 26 -6.549 -8.935 3.712
161 H GLN 27 H GLN 27 -4.676 -7.998 4.486
162 HA GLN 27 HA GLN 27 -5.269 -6.591 6.816
163 HB2 GLN 27 1HB GLN 27 -2.578 -7.736 6.056
164 HB3 GLN 27 2HB GLN 27 -3.161 -7.415 7.683
165 HG2 GLN 27 1HG GLN 27 -4.001 -9.560 5.775
166 HG3 GLN 27 2HG GLN 27 -3.401 -9.712 7.426
167 HE21 GLN 27 1HE2 GLN 27 -5.850 -10.733 6.139
168 HE22 GLN 27 2HE2 GLN 27 -7.157 -10.151 7.108
169 H LEU 28 H LEU 28 -3.287 -5.728 4.091
170 HA LEU 28 HA LEU 28 -1.910 -3.581 5.395
171 HB2 LEU 28 1HB LEU 28 -1.040 -4.796 3.412
172 HB3 LEU 28 2HB LEU 28 -2.317 -4.060 2.447
173 HG LEU 28 HG LEU 28 -1.235 -1.823 3.326
174 HD11 LEU 28 1HD1 LEU 28 0.422 -2.537 4.776
175 HD12 LEU 28 2HD1 LEU 28 1.314 -2.250 3.282
176 HD13 LEU 28 3HD1 LEU 28 0.881 -3.895 3.747
177 HD21 LEU 28 3HD2 LEU 28 0.491 -2.210 1.336
178 HD22 LEU 28 1HD2 LEU 28 -1.234 -1.966 1.060
179 HD23 LEU 28 2HD2 LEU 28 -0.561 -3.597 1.049
180 H VAL 29 H VAL 29 -4.670 -3.807 3.177
181 HA VAL 29 HA VAL 29 -5.165 -1.091 2.832
182 HB VAL 29 HB VAL 29 -7.087 -3.416 2.881
183 HG11 VAL 29 1HG1 VAL 29 -8.265 -1.324 3.406
184 HG12 VAL 29 2HG1 VAL 29 -7.609 -0.598 1.937
185 HG13 VAL 29 3HG1 VAL 29 -8.721 -1.963 1.827
186 HG21 VAL 29 3HG2 VAL 29 -6.093 -3.836 0.924
187 HG22 VAL 29 1HG2 VAL 29 -6.920 -2.399 0.322
188 HG23 VAL 29 2HG2 VAL 29 -5.265 -2.279 0.919
189 H SER 30 H SER 30 -6.472 -3.308 5.288
190 HA SER 30 HA SER 30 -8.124 -1.500 6.612
191 HB2 SER 30 1HB SER 30 -8.157 -3.927 7.032
192 HB3 SER 30 2HB SER 30 -6.576 -3.813 7.807
193 HG SER 30 HG SER 30 -7.720 -3.489 9.542
194 H HIS 31 H HIS 31 -4.691 -1.760 6.579
195 HA HIS 31 HA HIS 31 -4.353 -0.164 8.988
196 HB2 HIS 31 1HB HIS 31 -2.667 -1.760 8.863
197 HB3 HIS 31 2HB HIS 31 -2.497 -1.592 7.118
198 HD1 HIS 31 HD1 HIS 31 -1.448 -0.002 10.348
199 HD2 HIS 31 HD2 HIS 31 -0.713 0.369 6.276
200 HE1 HIS 31 HE1 HIS 31 0.534 1.534 10.160
201 H GLN 32 H GLN 32 -3.443 0.106 5.550
202 HA GLN 32 HA GLN 32 -2.450 2.671 5.555
203 HB2 GLN 32 1HB GLN 32 -4.099 1.343 3.397
204 HB3 GLN 32 2HB GLN 32 -3.106 2.777 3.171
205 HG2 GLN 32 1HG GLN 32 -1.107 1.553 3.573
206 HG3 GLN 32 2HG GLN 32 -2.014 0.133 4.090
207 HE21 GLN 32 1HE2 GLN 32 -0.142 1.088 1.735
208 HE22 GLN 32 2HE2 GLN 32 -0.872 0.319 0.370
209 H LYS 33 H LYS 33 -5.711 1.636 5.954
210 HA LYS 33 HA LYS 33 -7.076 3.955 5.137
211 HB2 LYS 33 1HB LYS 33 -7.731 1.755 7.081
212 HB3 LYS 33 2HB LYS 33 -8.824 3.112 6.838
213 HG2 LYS 33 1HG LYS 33 -9.176 2.542 4.569
214 HG3 LYS 33 2HG LYS 33 -7.849 1.378 4.586
215 HD2 LYS 33 1HD LYS 33 -9.696 0.002 4.771
216 HD3 LYS 33 2HD LYS 33 -9.240 0.227 6.461
217 HE2 LYS 33 1HE LYS 33 -10.890 2.242 6.344
218 HE3 LYS 33 2HE LYS 33 -11.535 1.393 4.940
219 HZ1 LYS 33 3HZ LYS 33 -12.799 0.533 6.629
220 HZ2 LYS 33 1HZ LYS 33 -11.546 0.584 7.764
221 HZ3 LYS 33 2HZ LYS 33 -11.555 -0.611 6.568
222 H THR 34 H THR 34 -5.455 3.107 8.128
223 HA THR 34 HA THR 34 -6.480 5.143 9.766
224 HB THR 34 HB THR 34 -5.172 3.199 10.604
225 HG1 THR 34 HG1 THR 34 -4.531 5.859 11.290
226 HG21 THR 34 3HG2 THR 34 -2.576 4.468 10.269
227 HG22 THR 34 1HG2 THR 34 -3.296 3.992 8.732
228 HG23 THR 34 2HG2 THR 34 -3.055 2.792 10.002
229 H HIS 35 H HIS 35 -4.247 5.244 7.162
230 HA HIS 35 HA HIS 35 -3.041 7.752 7.976
231 HB2 HIS 35 1HB HIS 35 -2.776 6.127 5.439
232 HB3 HIS 35 2HB HIS 35 -1.873 7.601 5.776
233 HD1 HIS 35 HD1 HIS 35 -1.008 7.086 8.660
234 HD2 HIS 35 HD2 HIS 35 -0.860 4.217 5.658
235 HE1 HIS 35 HE1 HIS 35 0.716 5.416 9.411
236 H SER 36 H SER 36 -3.763 9.712 7.461
237 HA SER 36 HA SER 36 -5.038 11.380 6.584
238 HB2 SER 36 1HB SER 36 -5.016 9.584 4.146
239 HB3 SER 36 2HB SER 36 -5.530 11.271 4.157
240 HG SER 36 HG SER 36 -3.487 11.588 3.718
241 H GLY 37 H GLY 37 -6.415 9.671 8.212
242 HA2 GLY 37 1HA GLY 37 -8.948 9.117 6.825
243 HA3 GLY 37 2HA GLY 37 -8.472 8.462 8.386
244 H GLN 38 H GLN 38 -8.613 11.779 7.093
245 HA GLN 38 HA GLN 38 -10.876 12.558 8.574
246 HB2 GLN 38 1HB GLN 38 -9.039 12.180 10.372
247 HB3 GLN 38 2HB GLN 38 -8.368 13.691 9.773
248 HG2 GLN 38 1HG GLN 38 -10.506 14.805 10.258
249 HG3 GLN 38 2HG GLN 38 -11.120 13.292 10.921
250 HE21 GLN 38 1HE2 GLN 38 -9.344 12.314 12.507
251 HE22 GLN 38 2HE2 GLN 38 -8.844 13.419 13.737
252 H SER 39 H SER 39 -11.659 14.040 7.242
253 HA SER 39 HA SER 39 -9.893 15.650 5.607
254 HB2 SER 39 1HB SER 39 -12.916 15.557 5.755
255 HB3 SER 39 2HB SER 39 -11.985 16.460 4.561
256 HG SER 39 HG SER 39 -12.787 14.212 4.048
257 H GLY 40 H GLY 40 -9.649 17.859 5.693
258 HA2 GLY 40 1HA GLY 40 -10.164 20.042 6.472
259 HA3 GLY 40 2HA GLY 40 -11.068 19.326 7.798
260 HA PRO 41 HA PRO 41 -6.400 18.906 8.997
261 HB2 PRO 41 1HB PRO 41 -4.614 20.181 7.398
262 HB3 PRO 41 2HB PRO 41 -5.108 18.504 7.140
263 HG2 PRO 41 1HG PRO 41 -6.063 20.991 5.775
264 HG3 PRO 41 2HG PRO 41 -5.663 19.413 5.073
265 HD2 PRO 41 1HD PRO 41 -8.212 20.190 5.552
266 HD3 PRO 41 2HD PRO 41 -7.694 18.496 5.661
267 H SER 42 H SER 42 -7.364 21.906 7.385
268 HA SER 42 HA SER 42 -5.990 23.538 9.346
269 HB2 SER 42 1HB SER 42 -6.640 25.414 8.023
270 HB3 SER 42 2HB SER 42 -6.200 24.139 6.887
271 HG SER 42 HG SER 42 -8.618 23.669 7.065
272 H SER 43 H SER 43 -7.232 25.358 10.388
273 HA SER 43 HA SER 43 -9.941 24.521 11.169
274 HB2 SER 43 1HB SER 43 -7.639 25.236 12.980
275 HB3 SER 43 2HB SER 43 -9.314 25.353 13.517
276 HG SER 43 HG SER 43 -9.321 23.038 12.582
277 H GLY 44 H GLY 44 -10.786 26.137 9.810
278 HA2 GLY 44 1HA GLY 44 -11.439 28.260 9.205
279 HA3 GLY 44 2HA GLY 44 -11.450 28.546 10.939
Start of MODEL 5
1 H1 GLY 1 H GLY 1 27.862 -2.696 19.191
2 HA2 GLY 1 1HA GLY 1 27.575 -3.825 16.505
3 HA3 GLY 1 2HA GLY 1 26.554 -4.485 17.774
4 H SER 2 H SER 2 27.251 -1.679 15.811
5 HA SER 2 HA SER 2 24.929 -0.264 16.877
6 HB2 SER 2 1HB SER 2 25.773 1.489 15.124
7 HB3 SER 2 2HB SER 2 26.670 1.259 16.625
8 HG SER 2 HG SER 2 27.328 -0.261 14.356
9 H SER 3 H SER 3 24.956 -2.727 15.055
10 HA SER 3 HA SER 3 22.763 -1.857 13.395
11 HB2 SER 3 1HB SER 3 25.249 -3.004 12.100
12 HB3 SER 3 2HB SER 3 23.731 -2.641 11.280
13 HG SER 3 HG SER 3 25.711 -0.920 12.219
14 H GLY 4 H GLY 4 21.265 -3.394 13.460
15 HA2 GLY 4 1HA GLY 4 22.055 -6.082 14.317
16 HA3 GLY 4 2HA GLY 4 20.427 -5.422 14.352
17 H SER 5 H SER 5 21.084 -7.965 13.331
18 HA SER 5 HA SER 5 19.817 -7.814 10.785
19 HB2 SER 5 1HB SER 5 22.774 -8.170 10.910
20 HB3 SER 5 2HB SER 5 21.880 -9.145 9.744
21 HG SER 5 HG SER 5 22.137 -6.347 9.901
22 H SER 6 H SER 6 18.391 -9.380 11.189
23 HA SER 6 HA SER 6 19.361 -11.915 12.322
24 HB2 SER 6 1HB SER 6 17.106 -12.333 13.064
25 HB3 SER 6 2HB SER 6 17.542 -10.695 13.551
26 HG SER 6 HG SER 6 16.135 -11.278 11.163
27 H GLY 7 H GLY 7 17.839 -10.450 9.567
28 HA2 GLY 7 1HA GLY 7 18.453 -12.302 7.694
29 HA3 GLY 7 2HA GLY 7 16.985 -12.955 8.407
30 H THR 8 H THR 8 17.200 -12.218 5.711
31 HA THR 8 HA THR 8 16.242 -9.623 5.166
32 HB THR 8 HB THR 8 15.638 -10.470 2.955
33 HG1 THR 8 HG1 THR 8 15.811 -12.929 4.289
34 HG21 THR 8 3HG2 THR 8 18.221 -10.712 4.169
35 HG22 THR 8 1HG2 THR 8 17.812 -10.267 2.513
36 HG23 THR 8 2HG2 THR 8 18.030 -11.964 2.942
37 H GLY 9 H GLY 9 14.187 -8.823 4.825
38 HA2 GLY 9 1HA GLY 9 11.928 -10.615 5.409
39 HA3 GLY 9 2HA GLY 9 12.111 -9.132 6.335
40 H GLU 10 H GLU 10 11.672 -10.393 3.059
41 HA GLU 10 HA GLU 10 10.604 -7.785 2.238
42 HB2 GLU 10 1HB GLU 10 12.427 -8.899 0.885
43 HB3 GLU 10 2HB GLU 10 11.252 -10.137 0.462
44 HG2 GLU 10 1HG GLU 10 10.675 -7.248 -0.043
45 HG3 GLU 10 2HG GLU 10 11.658 -8.187 -1.165
46 H ASN 11 H ASN 11 8.522 -7.524 1.602
47 HA ASN 11 HA ASN 11 6.808 -9.901 1.442
48 HB2 ASN 11 1HB ASN 11 6.304 -7.432 3.110
49 HB3 ASN 11 2HB ASN 11 5.044 -8.594 2.700
50 HD21 ASN 11 1HD2 ASN 11 8.313 -8.478 4.067
51 HD22 ASN 11 2HD2 ASN 11 8.037 -9.688 5.269
52 HA PRO 12 HA PRO 12 5.206 -7.994 -2.180
53 HB2 PRO 12 1HB PRO 12 2.747 -9.142 -2.265
54 HB3 PRO 12 2HB PRO 12 4.232 -10.022 -2.647
55 HG2 PRO 12 1HG PRO 12 2.647 -9.993 -0.107
56 HG3 PRO 12 2HG PRO 12 3.389 -11.367 -0.948
57 HD2 PRO 12 1HD PRO 12 4.526 -10.193 1.211
58 HD3 PRO 12 2HD PRO 12 5.483 -10.918 -0.097
59 H TYR 13 H TYR 13 3.965 -7.409 0.907
60 HA TYR 13 HA TYR 13 2.410 -5.136 -0.116
61 HB2 TYR 13 1HB TYR 13 1.558 -6.838 2.232
62 HB3 TYR 13 2HB TYR 13 0.673 -5.492 1.523
63 HD1 TYR 13 HD2 TYR 13 -0.339 -5.742 -0.739
64 HD2 TYR 13 HD1 TYR 13 1.417 -9.029 1.313
65 HE1 TYR 13 HE2 TYR 13 -1.513 -7.298 -2.239
66 HE2 TYR 13 HE1 TYR 13 0.250 -10.594 -0.182
67 HH TYR 13 HH TYR 13 -1.145 -10.816 -1.890
68 H GLU 14 H GLU 14 3.584 -3.429 0.477
69 HA GLU 14 HA GLU 14 4.445 -3.262 3.288
70 HB2 GLU 14 1HB GLU 14 6.386 -3.664 1.815
71 HB3 GLU 14 2HB GLU 14 5.971 -2.227 0.891
72 HG2 GLU 14 1HG GLU 14 6.369 -0.830 2.827
73 HG3 GLU 14 2HG GLU 14 6.707 -2.254 3.809
74 H CYS 15 H CYS 15 3.682 -1.550 4.336
75 HA CYS 15 HA CYS 15 2.129 0.425 2.924
76 HB2 CYS 15 1HB CYS 15 1.473 -0.544 5.147
77 HB3 CYS 15 2HB CYS 15 2.815 0.340 5.867
78 H CYS 16 H CYS 16 4.043 1.194 1.688
79 HA CYS 16 HA CYS 16 6.297 2.387 2.584
80 HB2 CYS 16 1HB CYS 16 4.435 3.042 0.346
81 HB3 CYS 16 2HB CYS 16 5.723 4.185 0.713
82 H GLU 17 H GLU 17 3.038 3.624 2.901
83 HA GLU 17 HA GLU 17 3.345 6.254 3.477
84 HB2 GLU 17 1HB GLU 17 1.657 4.313 5.066
85 HB3 GLU 17 2HB GLU 17 1.446 6.058 5.025
86 HG2 GLU 17 1HG GLU 17 1.101 4.155 2.721
87 HG3 GLU 17 2HG GLU 17 -0.176 4.993 3.600
88 H CYS 18 H CYS 18 3.377 3.803 6.070
89 HA CYS 18 HA CYS 18 5.050 5.613 7.661
90 HB2 CYS 18 1HB CYS 18 4.386 4.231 9.586
91 HB3 CYS 18 2HB CYS 18 2.983 4.863 8.730
92 H GLY 19 H GLY 19 4.863 2.263 6.524
93 HA2 GLY 19 1HA GLY 19 7.055 1.388 5.702
94 HA3 GLY 19 2HA GLY 19 7.720 1.970 7.221
95 H LYS 20 H LYS 20 4.582 0.447 7.007
96 HA LYS 20 HA LYS 20 5.567 -1.707 8.722
97 HB2 LYS 20 1HB LYS 20 3.420 -0.200 9.086
98 HB3 LYS 20 2HB LYS 20 2.680 -1.394 8.028
99 HG2 LYS 20 1HG LYS 20 3.558 -3.154 9.613
100 HG3 LYS 20 2HG LYS 20 3.946 -1.832 10.716
101 HD2 LYS 20 1HD LYS 20 1.519 -1.122 10.484
102 HD3 LYS 20 2HD LYS 20 1.242 -2.679 9.699
103 HE2 LYS 20 1HE LYS 20 2.503 -2.411 12.419
104 HE3 LYS 20 2HE LYS 20 0.764 -2.578 12.181
105 HZ1 LYS 20 3HZ LYS 20 1.338 -4.747 12.435
106 HZ2 LYS 20 1HZ LYS 20 2.891 -4.547 11.794
107 HZ3 LYS 20 2HZ LYS 20 1.554 -4.627 10.762
108 H VAL 21 H VAL 21 4.777 -3.914 8.346
109 HA VAL 21 HA VAL 21 4.418 -4.487 5.476
110 HB VAL 21 HB VAL 21 5.922 -6.238 7.421
111 HG11 VAL 21 1HG1 VAL 21 5.230 -7.649 5.740
112 HG12 VAL 21 2HG1 VAL 21 5.276 -6.383 4.511
113 HG13 VAL 21 3HG1 VAL 21 6.778 -7.094 5.104
114 HG21 VAL 21 3HG2 VAL 21 7.826 -5.394 5.731
115 HG22 VAL 21 1HG2 VAL 21 6.804 -3.957 5.764
116 HG23 VAL 21 2HG2 VAL 21 7.474 -4.596 7.264
117 H PHE 22 H PHE 22 3.204 -6.369 4.949
118 HA PHE 22 HA PHE 22 1.668 -7.585 7.122
119 HB2 PHE 22 1HB PHE 22 0.389 -6.393 4.653
120 HB3 PHE 22 2HB PHE 22 -0.447 -7.255 5.941
121 HD1 PHE 22 HD2 PHE 22 1.605 -4.237 5.265
122 HD2 PHE 22 HD1 PHE 22 -1.265 -6.110 7.790
123 HE1 PHE 22 HE2 PHE 22 1.285 -2.116 6.469
124 HE2 PHE 22 HE1 PHE 22 -1.590 -3.991 8.998
125 HZ PHE 22 HZ PHE 22 -0.313 -1.991 8.339
126 H SER 23 H SER 23 0.169 -9.354 6.102
127 HA SER 23 HA SER 23 1.877 -10.925 4.300
128 HB2 SER 23 1HB SER 23 -0.136 -11.680 6.402
129 HB3 SER 23 2HB SER 23 0.332 -12.831 5.151
130 HG SER 23 HG SER 23 1.906 -13.234 6.496
131 H ARG 24 H ARG 24 -1.491 -9.974 4.851
132 HA ARG 24 HA ARG 24 -2.058 -10.669 2.044
133 HB2 ARG 24 1HB ARG 24 -3.961 -10.729 4.394
134 HB3 ARG 24 2HB ARG 24 -4.395 -11.065 2.723
135 HG2 ARG 24 1HG ARG 24 -2.976 -13.018 2.705
136 HG3 ARG 24 2HG ARG 24 -2.413 -12.654 4.338
137 HD2 ARG 24 1HD ARG 24 -5.014 -12.705 4.842
138 HD3 ARG 24 2HD ARG 24 -5.020 -13.743 3.417
139 HE ARG 24 HE ARG 24 -4.184 -15.397 4.732
140 HH11 ARG 24 1HH1 ARG 24 -3.296 -12.338 6.135
141 HH12 ARG 24 2HH1 ARG 24 -2.520 -13.047 7.512
142 HH21 ARG 24 1HH2 ARG 24 -3.166 -16.343 6.540
143 HH22 ARG 24 2HH2 ARG 24 -2.446 -15.325 7.741
144 H LYS 25 H LYS 25 -2.761 -9.077 0.766
145 HA LYS 25 HA LYS 25 -2.561 -6.441 1.211
146 HB2 LYS 25 1HB LYS 25 -3.186 -7.536 -0.957
147 HB3 LYS 25 2HB LYS 25 -4.844 -7.623 -0.377
148 HG2 LYS 25 1HG LYS 25 -5.071 -5.273 -0.381
149 HG3 LYS 25 2HG LYS 25 -3.335 -5.034 -0.592
150 HD2 LYS 25 1HD LYS 25 -4.125 -4.674 -2.732
151 HD3 LYS 25 2HD LYS 25 -3.695 -6.385 -2.792
152 HE2 LYS 25 1HE LYS 25 -5.857 -6.055 -3.816
153 HE3 LYS 25 2HE LYS 25 -6.045 -6.961 -2.315
154 HZ1 LYS 25 3HZ LYS 25 -6.258 -4.226 -1.741
155 HZ2 LYS 25 1HZ LYS 25 -7.444 -5.424 -1.599
156 HZ3 LYS 25 2HZ LYS 25 -7.278 -4.565 -3.047
157 H ASP 26 H ASP 26 -5.463 -8.356 1.916
158 HA ASP 26 HA ASP 26 -7.241 -6.444 2.690
159 HB2 ASP 26 1HB ASP 26 -7.953 -8.705 2.739
160 HB3 ASP 26 2HB ASP 26 -6.689 -9.159 3.879
161 H GLN 27 H GLN 27 -4.858 -7.970 4.862
162 HA GLN 27 HA GLN 27 -5.395 -6.410 7.110
163 HB2 GLN 27 1HB GLN 27 -2.739 -7.607 6.304
164 HB3 GLN 27 2HB GLN 27 -3.200 -7.106 7.925
165 HG2 GLN 27 1HG GLN 27 -4.220 -9.424 6.326
166 HG3 GLN 27 2HG GLN 27 -3.434 -9.431 7.904
167 HE21 GLN 27 1HE2 GLN 27 -5.970 -10.599 7.109
168 HE22 GLN 27 2HE2 GLN 27 -7.173 -9.886 8.124
169 H LEU 28 H LEU 28 -3.538 -5.714 4.253
170 HA LEU 28 HA LEU 28 -2.150 -3.458 5.342
171 HB2 LEU 28 1HB LEU 28 -1.302 -4.764 3.435
172 HB3 LEU 28 2HB LEU 28 -2.665 -4.205 2.467
173 HG LEU 28 HG LEU 28 -1.663 -1.832 3.111
174 HD11 LEU 28 1HD1 LEU 28 0.125 -2.513 4.498
175 HD12 LEU 28 2HD1 LEU 28 0.849 -2.027 2.965
176 HD13 LEU 28 3HD1 LEU 28 0.651 -3.738 3.344
177 HD21 LEU 28 3HD2 LEU 28 -0.859 -1.714 0.952
178 HD22 LEU 28 1HD2 LEU 28 -1.959 -3.089 0.850
179 HD23 LEU 28 2HD2 LEU 28 -0.221 -3.358 0.985
180 H VAL 29 H VAL 29 -4.950 -3.858 3.189
181 HA VAL 29 HA VAL 29 -5.532 -1.216 2.661
182 HB VAL 29 HB VAL 29 -7.502 -3.454 3.150
183 HG11 VAL 29 1HG1 VAL 29 -8.039 -0.750 2.895
184 HG12 VAL 29 2HG1 VAL 29 -8.299 -1.394 1.272
185 HG13 VAL 29 3HG1 VAL 29 -9.177 -2.074 2.643
186 HG21 VAL 29 3HG2 VAL 29 -5.671 -2.838 0.978
187 HG22 VAL 29 1HG2 VAL 29 -6.594 -4.307 1.298
188 HG23 VAL 29 2HG2 VAL 29 -7.345 -2.963 0.437
189 H SER 30 H SER 30 -6.949 -3.161 5.298
190 HA SER 30 HA SER 30 -8.416 -1.224 6.561
191 HB2 SER 30 1HB SER 30 -8.466 -3.559 7.263
192 HB3 SER 30 2HB SER 30 -6.810 -3.441 7.856
193 HG SER 30 HG SER 30 -7.475 -2.329 9.559
194 H HIS 31 H HIS 31 -4.976 -1.952 7.062
195 HA HIS 31 HA HIS 31 -4.511 -0.034 9.062
196 HB2 HIS 31 1HB HIS 31 -2.901 -1.777 8.714
197 HB3 HIS 31 2HB HIS 31 -2.657 -1.295 7.038
198 HD1 HIS 31 HD1 HIS 31 -2.360 0.512 10.385
199 HD2 HIS 31 HD2 HIS 31 -0.304 -0.008 6.813
200 HE1 HIS 31 HE1 HIS 31 -0.260 1.876 10.614
201 H GLN 32 H GLN 32 -3.695 0.135 5.590
202 HA GLN 32 HA GLN 32 -2.730 2.636 5.349
203 HB2 GLN 32 1HB GLN 32 -4.654 1.164 3.565
204 HB3 GLN 32 2HB GLN 32 -4.022 2.744 3.125
205 HG2 GLN 32 1HG GLN 32 -1.710 1.712 3.494
206 HG3 GLN 32 2HG GLN 32 -2.546 0.161 3.452
207 HE21 GLN 32 1HE2 GLN 32 -0.832 0.202 1.604
208 HE22 GLN 32 2HE2 GLN 32 -1.461 0.617 0.050
209 H LYS 33 H LYS 33 -6.140 1.802 5.735
210 HA LYS 33 HA LYS 33 -7.459 4.104 5.256
211 HB2 LYS 33 1HB LYS 33 -7.853 2.444 7.751
212 HB3 LYS 33 2HB LYS 33 -9.043 3.505 7.009
213 HG2 LYS 33 1HG LYS 33 -8.855 2.038 4.950
214 HG3 LYS 33 2HG LYS 33 -7.969 0.902 5.970
215 HD2 LYS 33 1HD LYS 33 -10.084 0.086 6.245
216 HD3 LYS 33 2HD LYS 33 -10.057 1.265 7.558
217 HE2 LYS 33 1HE LYS 33 -10.979 2.095 4.841
218 HE3 LYS 33 2HE LYS 33 -12.068 1.188 5.889
219 HZ1 LYS 33 3HZ LYS 33 -10.959 3.886 6.259
220 HZ2 LYS 33 1HZ LYS 33 -11.394 2.975 7.616
221 HZ3 LYS 33 2HZ LYS 33 -12.552 3.348 6.441
222 H THR 34 H THR 34 -5.719 3.396 8.277
223 HA THR 34 HA THR 34 -6.238 5.722 9.666
224 HB THR 34 HB THR 34 -4.157 5.348 10.891
225 HG1 THR 34 HG1 THR 34 -3.523 3.193 9.183
226 HG21 THR 34 3HG2 THR 34 -5.350 3.776 11.929
227 HG22 THR 34 1HG2 THR 34 -4.644 2.588 10.834
228 HG23 THR 34 2HG2 THR 34 -6.183 3.352 10.434
229 H HIS 35 H HIS 35 -3.844 5.146 7.141
230 HA HIS 35 HA HIS 35 -2.682 7.771 7.399
231 HB2 HIS 35 1HB HIS 35 -2.331 5.676 5.244
232 HB3 HIS 35 2HB HIS 35 -1.358 7.133 5.421
233 HD1 HIS 35 HD1 HIS 35 -0.267 7.231 8.050
234 HD2 HIS 35 HD2 HIS 35 -1.073 3.547 6.305
235 HE1 HIS 35 HE1 HIS 35 1.146 5.570 9.303
236 H SER 36 H SER 36 -3.583 9.552 6.628
237 HA SER 36 HA SER 36 -5.451 9.325 4.365
238 HB2 SER 36 1HB SER 36 -5.238 11.503 6.459
239 HB3 SER 36 2HB SER 36 -6.424 11.444 5.155
240 HG SER 36 HG SER 36 -6.504 10.255 7.557
241 H GLY 37 H GLY 37 -3.954 9.451 2.693
242 HA2 GLY 37 1HA GLY 37 -2.756 12.123 2.353
243 HA3 GLY 37 2HA GLY 37 -1.797 10.681 2.053
244 H GLN 38 H GLN 38 -2.269 12.693 0.139
245 HA GLN 38 HA GLN 38 -4.361 12.289 -1.619
246 HB2 GLN 38 1HB GLN 38 -2.552 14.079 -1.696
247 HB3 GLN 38 2HB GLN 38 -1.544 12.890 -2.511
248 HG2 GLN 38 1HG GLN 38 -2.661 14.438 -4.061
249 HG3 GLN 38 2HG GLN 38 -3.090 12.751 -4.341
250 HE21 GLN 38 1HE2 GLN 38 -5.144 12.463 -4.775
251 HE22 GLN 38 2HE2 GLN 38 -6.462 13.399 -4.165
252 H SER 39 H SER 39 -4.464 11.176 -3.664
253 HA SER 39 HA SER 39 -3.772 8.447 -3.461
254 HB2 SER 39 1HB SER 39 -4.634 9.977 -5.927
255 HB3 SER 39 2HB SER 39 -4.699 8.229 -5.710
256 HG SER 39 HG SER 39 -6.508 8.462 -4.680
257 H GLY 40 H GLY 40 -2.026 7.342 -4.098
258 HA2 GLY 40 1HA GLY 40 0.388 8.535 -4.724
259 HA3 GLY 40 2HA GLY 40 0.002 6.853 -5.058
260 HA PRO 41 HA PRO 41 0.429 7.747 -9.338
261 HB2 PRO 41 1HB PRO 41 -1.010 5.686 -10.364
262 HB3 PRO 41 2HB PRO 41 0.591 5.476 -9.646
263 HG2 PRO 41 1HG PRO 41 -2.105 4.987 -8.439
264 HG3 PRO 41 2HG PRO 41 -0.637 3.997 -8.337
265 HD2 PRO 41 1HD PRO 41 -1.422 5.650 -6.341
266 HD3 PRO 41 2HD PRO 41 0.287 5.313 -6.686
267 H SER 42 H SER 42 -0.925 8.018 -11.342
268 HA SER 42 HA SER 42 -2.826 9.961 -11.072
269 HB2 SER 42 1HB SER 42 -3.530 9.437 -13.376
270 HB3 SER 42 2HB SER 42 -1.774 9.407 -13.217
271 HG SER 42 HG SER 42 -2.027 7.074 -12.936
272 H SER 43 H SER 43 -4.876 10.063 -10.432
273 HA SER 43 HA SER 43 -6.855 9.398 -9.505
274 HB2 SER 43 1HB SER 43 -6.679 7.670 -11.975
275 HB3 SER 43 2HB SER 43 -8.117 7.723 -10.956
276 HG SER 43 HG SER 43 -7.034 10.149 -11.809
277 H GLY 44 H GLY 44 -4.660 8.217 -8.249
278 HA2 GLY 44 1HA GLY 44 -4.797 5.425 -7.984
279 HA3 GLY 44 2HA GLY 44 -4.132 6.528 -6.789
Start of MODEL 6
1 H1 GLY 1 H GLY 1 28.565 -0.234 6.467
2 HA2 GLY 1 1HA GLY 1 29.031 0.117 3.755
3 HA3 GLY 1 2HA GLY 1 28.988 -1.619 4.022
4 H SER 2 H SER 2 27.040 -2.454 5.175
5 HA SER 2 HA SER 2 24.656 -0.797 4.841
6 HB2 SER 2 1HB SER 2 24.845 -1.969 2.712
7 HB3 SER 2 2HB SER 2 25.005 -3.513 3.548
8 HG SER 2 HG SER 2 22.749 -1.840 3.879
9 H SER 3 H SER 3 23.819 -0.821 6.820
10 HA SER 3 HA SER 3 24.160 -3.047 8.605
11 HB2 SER 3 1HB SER 3 23.184 -1.688 10.260
12 HB3 SER 3 2HB SER 3 24.035 -0.544 9.223
13 HG SER 3 HG SER 3 22.085 -0.017 8.254
14 H GLY 4 H GLY 4 22.920 -4.793 8.671
15 HA2 GLY 4 1HA GLY 4 20.307 -4.730 7.347
16 HA3 GLY 4 2HA GLY 4 21.207 -6.173 7.792
17 H SER 5 H SER 5 18.633 -4.196 8.586
18 HA SER 5 HA SER 5 18.467 -5.402 11.269
19 HB2 SER 5 1HB SER 5 17.149 -3.356 11.933
20 HB3 SER 5 2HB SER 5 18.855 -3.057 11.600
21 HG SER 5 HG SER 5 16.598 -2.399 10.051
22 H SER 6 H SER 6 16.591 -4.018 8.588
23 HA SER 6 HA SER 6 14.086 -5.004 9.422
24 HB2 SER 6 1HB SER 6 13.420 -4.617 7.024
25 HB3 SER 6 2HB SER 6 14.167 -3.224 7.807
26 HG SER 6 HG SER 6 14.929 -4.443 5.589
27 H GLY 7 H GLY 7 12.791 -6.589 8.056
28 HA2 GLY 7 1HA GLY 7 14.095 -9.125 8.168
29 HA3 GLY 7 2HA GLY 7 12.460 -8.822 7.598
30 H THR 8 H THR 8 14.807 -10.459 6.576
31 HA THR 8 HA THR 8 15.059 -9.255 3.905
32 HB THR 8 HB THR 8 16.669 -11.559 5.011
33 HG1 THR 8 HG1 THR 8 18.304 -9.738 5.098
34 HG21 THR 8 3HG2 THR 8 18.160 -11.139 3.184
35 HG22 THR 8 1HG2 THR 8 17.275 -9.685 2.725
36 HG23 THR 8 2HG2 THR 8 16.531 -11.272 2.525
37 H GLY 9 H GLY 9 13.039 -9.903 3.097
38 HA2 GLY 9 1HA GLY 9 13.009 -12.568 2.017
39 HA3 GLY 9 2HA GLY 9 11.778 -12.317 3.246
40 H GLU 10 H GLU 10 10.036 -12.512 1.868
41 HA GLU 10 HA GLU 10 9.847 -10.555 -0.316
42 HB2 GLU 10 1HB GLU 10 9.504 -12.861 -1.009
43 HB3 GLU 10 2HB GLU 10 8.258 -13.071 0.213
44 HG2 GLU 10 1HG GLU 10 6.696 -11.919 -0.973
45 HG3 GLU 10 2HG GLU 10 7.892 -10.904 -1.777
46 H ASN 11 H ASN 11 8.757 -8.763 0.104
47 HA ASN 11 HA ASN 11 6.406 -8.920 1.866
48 HB2 ASN 11 1HB ASN 11 8.312 -6.577 1.822
49 HB3 ASN 11 2HB ASN 11 6.982 -6.859 2.941
50 HD21 ASN 11 1HD2 ASN 11 7.176 -8.963 4.183
51 HD22 ASN 11 2HD2 ASN 11 8.741 -9.336 4.813
52 HA PRO 12 HA PRO 12 5.208 -7.083 -2.192
53 HB2 PRO 12 1HB PRO 12 2.802 -8.338 -2.290
54 HB3 PRO 12 2HB PRO 12 4.300 -9.087 -2.856
55 HG2 PRO 12 1HG PRO 12 2.866 -9.449 -0.253
56 HG3 PRO 12 2HG PRO 12 3.618 -10.671 -1.296
57 HD2 PRO 12 1HD PRO 12 4.825 -9.711 0.930
58 HD3 PRO 12 2HD PRO 12 5.736 -10.222 -0.506
59 H TYR 13 H TYR 13 4.007 -7.044 1.001
60 HA TYR 13 HA TYR 13 2.285 -4.747 0.342
61 HB2 TYR 13 1HB TYR 13 1.749 -6.540 2.695
62 HB3 TYR 13 2HB TYR 13 0.659 -5.409 1.902
63 HD1 TYR 13 HD2 TYR 13 0.289 -5.999 -0.707
64 HD2 TYR 13 HD1 TYR 13 1.356 -8.778 2.333
65 HE1 TYR 13 HE2 TYR 13 -0.627 -7.831 -2.069
66 HE2 TYR 13 HE1 TYR 13 0.444 -10.618 0.979
67 HH TYR 13 HH TYR 13 -0.007 -11.065 -1.453
68 H GLU 14 H GLU 14 3.923 -3.264 0.788
69 HA GLU 14 HA GLU 14 4.710 -3.105 3.624
70 HB2 GLU 14 1HB GLU 14 6.611 -3.614 2.118
71 HB3 GLU 14 2HB GLU 14 6.284 -2.130 1.234
72 HG2 GLU 14 1HG GLU 14 6.723 -0.837 3.276
73 HG3 GLU 14 2HG GLU 14 7.109 -2.336 4.120
74 H CYS 15 H CYS 15 3.293 -1.663 4.437
75 HA CYS 15 HA CYS 15 1.961 0.385 3.253
76 HB2 CYS 15 1HB CYS 15 1.758 -0.370 5.648
77 HB3 CYS 15 2HB CYS 15 3.177 0.607 6.010
78 H CYS 16 H CYS 16 2.769 1.842 1.887
79 HA CYS 16 HA CYS 16 5.410 2.971 2.295
80 HB2 CYS 16 1HB CYS 16 3.367 3.095 0.103
81 HB3 CYS 16 2HB CYS 16 4.670 4.277 0.152
82 H GLU 17 H GLU 17 3.532 3.611 4.317
83 HA GLU 17 HA GLU 17 3.343 6.523 3.930
84 HB2 GLU 17 1HB GLU 17 1.322 4.668 5.179
85 HB3 GLU 17 2HB GLU 17 1.317 6.401 5.471
86 HG2 GLU 17 1HG GLU 17 1.244 5.285 2.694
87 HG3 GLU 17 2HG GLU 17 -0.222 5.478 3.655
88 H CYS 18 H CYS 18 3.664 3.848 6.212
89 HA CYS 18 HA CYS 18 4.998 5.701 8.076
90 HB2 CYS 18 1HB CYS 18 4.175 4.356 9.935
91 HB3 CYS 18 2HB CYS 18 2.825 4.925 8.958
92 H GLY 19 H GLY 19 4.797 2.333 6.962
93 HA2 GLY 19 1HA GLY 19 6.958 1.363 6.226
94 HA3 GLY 19 2HA GLY 19 7.647 2.041 7.694
95 H LYS 20 H LYS 20 4.743 0.102 6.969
96 HA LYS 20 HA LYS 20 5.725 -1.918 8.867
97 HB2 LYS 20 1HB LYS 20 3.093 -0.498 8.850
98 HB3 LYS 20 2HB LYS 20 3.157 -2.169 9.394
99 HG2 LYS 20 1HG LYS 20 4.910 -1.493 11.032
100 HG3 LYS 20 2HG LYS 20 4.625 0.184 10.560
101 HD2 LYS 20 1HD LYS 20 3.251 -0.013 12.400
102 HD3 LYS 20 2HD LYS 20 2.132 -0.396 11.089
103 HE2 LYS 20 1HE LYS 20 2.542 -2.794 11.477
104 HE3 LYS 20 2HE LYS 20 3.603 -2.380 12.823
105 HZ1 LYS 20 3HZ LYS 20 1.866 -2.137 14.158
106 HZ2 LYS 20 1HZ LYS 20 0.892 -2.790 12.938
107 HZ3 LYS 20 2HZ LYS 20 1.068 -1.113 13.073
108 H VAL 21 H VAL 21 5.648 -3.939 8.114
109 HA VAL 21 HA VAL 21 4.432 -4.406 5.509
110 HB VAL 21 HB VAL 21 6.114 -6.280 7.179
111 HG11 VAL 21 1HG1 VAL 21 4.938 -7.597 5.646
112 HG12 VAL 21 2HG1 VAL 21 5.065 -6.386 4.369
113 HG13 VAL 21 3HG1 VAL 21 6.489 -7.302 4.861
114 HG21 VAL 21 3HG2 VAL 21 6.819 -4.125 5.253
115 HG22 VAL 21 1HG2 VAL 21 7.646 -4.647 6.721
116 HG23 VAL 21 2HG2 VAL 21 7.781 -5.603 5.245
117 H PHE 22 H PHE 22 3.183 -6.378 5.119
118 HA PHE 22 HA PHE 22 1.743 -7.384 7.467
119 HB2 PHE 22 1HB PHE 22 0.458 -6.267 4.968
120 HB3 PHE 22 2HB PHE 22 -0.403 -7.195 6.191
121 HD1 PHE 22 HD2 PHE 22 1.473 -4.069 5.595
122 HD2 PHE 22 HD1 PHE 22 -1.181 -6.184 8.164
123 HE1 PHE 22 HE2 PHE 22 1.064 -2.003 6.868
124 HE2 PHE 22 HE1 PHE 22 -1.595 -4.122 9.441
125 HZ PHE 22 HZ PHE 22 -0.471 -2.028 8.794
126 H SER 23 H SER 23 0.375 -9.312 6.897
127 HA SER 23 HA SER 23 1.974 -11.127 5.313
128 HB2 SER 23 1HB SER 23 0.742 -11.560 7.602
129 HB3 SER 23 2HB SER 23 -0.630 -11.926 6.557
130 HG SER 23 HG SER 23 1.568 -13.412 7.086
131 H ARG 24 H ARG 24 -1.406 -10.013 5.311
132 HA ARG 24 HA ARG 24 -1.552 -10.774 2.468
133 HB2 ARG 24 1HB ARG 24 -3.824 -10.795 4.462
134 HB3 ARG 24 2HB ARG 24 -3.920 -11.262 2.770
135 HG2 ARG 24 1HG ARG 24 -2.726 -13.227 3.115
136 HG3 ARG 24 2HG ARG 24 -2.057 -12.661 4.647
137 HD2 ARG 24 1HD ARG 24 -3.695 -14.226 5.251
138 HD3 ARG 24 2HD ARG 24 -4.458 -12.657 5.501
139 HE ARG 24 HE ARG 24 -5.986 -13.201 3.898
140 HH11 ARG 24 1HH1 ARG 24 -3.205 -15.263 3.536
141 HH12 ARG 24 2HH1 ARG 24 -3.929 -16.244 2.306
142 HH21 ARG 24 1HH2 ARG 24 -6.951 -14.486 2.279
143 HH22 ARG 24 2HH2 ARG 24 -6.060 -15.801 1.591
144 H LYS 25 H LYS 25 -2.251 -9.265 1.060
145 HA LYS 25 HA LYS 25 -2.072 -6.613 1.414
146 HB2 LYS 25 1HB LYS 25 -2.456 -7.467 -0.780
147 HB3 LYS 25 2HB LYS 25 -4.030 -8.108 -0.327
148 HG2 LYS 25 1HG LYS 25 -4.305 -6.128 -1.670
149 HG3 LYS 25 2HG LYS 25 -4.856 -5.811 -0.023
150 HD2 LYS 25 1HD LYS 25 -3.609 -3.931 -0.369
151 HD3 LYS 25 2HD LYS 25 -2.351 -4.995 0.264
152 HE2 LYS 25 1HE LYS 25 -1.414 -3.995 -1.646
153 HE3 LYS 25 2HE LYS 25 -1.876 -5.619 -2.152
154 HZ1 LYS 25 3HZ LYS 25 -3.599 -3.247 -2.583
155 HZ2 LYS 25 1HZ LYS 25 -3.764 -4.785 -3.268
156 HZ3 LYS 25 2HZ LYS 25 -2.476 -3.789 -3.726
157 H ASP 26 H ASP 26 -5.113 -8.420 1.833
158 HA ASP 26 HA ASP 26 -6.907 -6.530 2.459
159 HB2 ASP 26 1HB ASP 26 -7.247 -9.019 2.605
160 HB3 ASP 26 2HB ASP 26 -6.518 -8.964 4.207
161 H GLN 27 H GLN 27 -4.757 -7.928 4.943
162 HA GLN 27 HA GLN 27 -5.422 -6.245 7.029
163 HB2 GLN 27 1HB GLN 27 -2.627 -7.259 6.517
164 HB3 GLN 27 2HB GLN 27 -3.368 -6.893 8.069
165 HG2 GLN 27 1HG GLN 27 -5.075 -8.753 7.274
166 HG3 GLN 27 2HG GLN 27 -3.680 -9.268 6.327
167 HE21 GLN 27 1HE2 GLN 27 -2.948 -11.008 7.347
168 HE22 GLN 27 2HE2 GLN 27 -2.538 -11.090 9.023
169 H LEU 28 H LEU 28 -3.230 -5.692 4.344
170 HA LEU 28 HA LEU 28 -2.068 -3.309 5.369
171 HB2 LEU 28 1HB LEU 28 -1.082 -4.736 3.584
172 HB3 LEU 28 2HB LEU 28 -2.340 -4.162 2.492
173 HG LEU 28 HG LEU 28 -1.330 -1.803 3.200
174 HD11 LEU 28 1HD1 LEU 28 1.177 -2.072 3.247
175 HD12 LEU 28 2HD1 LEU 28 0.903 -3.774 3.616
176 HD13 LEU 28 3HD1 LEU 28 0.326 -2.528 4.723
177 HD21 LEU 28 3HD2 LEU 28 -0.037 -1.850 1.157
178 HD22 LEU 28 1HD2 LEU 28 -1.552 -2.722 0.922
179 HD23 LEU 28 2HD2 LEU 28 -0.049 -3.614 1.156
180 H VAL 29 H VAL 29 -4.736 -3.951 3.122
181 HA VAL 29 HA VAL 29 -5.329 -1.327 2.406
182 HB VAL 29 HB VAL 29 -7.236 -3.646 2.746
183 HG11 VAL 29 1HG1 VAL 29 -8.448 -1.547 2.721
184 HG12 VAL 29 2HG1 VAL 29 -7.583 -1.039 1.269
185 HG13 VAL 29 3HG1 VAL 29 -8.696 -2.406 1.201
186 HG21 VAL 29 3HG2 VAL 29 -6.283 -4.488 0.925
187 HG22 VAL 29 1HG2 VAL 29 -6.723 -3.030 0.035
188 HG23 VAL 29 2HG2 VAL 29 -5.164 -3.126 0.855
189 H SER 30 H SER 30 -6.684 -3.272 5.063
190 HA SER 30 HA SER 30 -8.390 -1.296 6.085
191 HB2 SER 30 1HB SER 30 -8.637 -3.616 6.747
192 HB3 SER 30 2HB SER 30 -7.037 -3.612 7.487
193 HG SER 30 HG SER 30 -8.556 -3.306 9.093
194 H HIS 31 H HIS 31 -4.974 -1.857 6.505
195 HA HIS 31 HA HIS 31 -4.674 -0.112 8.759
196 HB2 HIS 31 1HB HIS 31 -3.040 -1.828 8.516
197 HB3 HIS 31 2HB HIS 31 -2.704 -1.369 6.849
198 HD1 HIS 31 HD1 HIS 31 -2.514 0.384 10.232
199 HD2 HIS 31 HD2 HIS 31 -0.387 -0.009 6.685
200 HE1 HIS 31 HE1 HIS 31 -0.431 1.758 10.541
201 H GLN 32 H GLN 32 -3.347 0.173 5.458
202 HA GLN 32 HA GLN 32 -2.475 2.701 5.404
203 HB2 GLN 32 1HB GLN 32 -4.071 1.234 3.316
204 HB3 GLN 32 2HB GLN 32 -3.412 2.836 3.014
205 HG2 GLN 32 1HG GLN 32 -1.172 1.764 3.784
206 HG3 GLN 32 2HG GLN 32 -1.988 0.247 3.410
207 HE21 GLN 32 1HE2 GLN 32 -0.232 0.078 1.833
208 HE22 GLN 32 2HE2 GLN 32 -0.435 0.818 0.285
209 H LYS 33 H LYS 33 -5.820 1.747 5.619
210 HA LYS 33 HA LYS 33 -7.204 3.977 4.870
211 HB2 LYS 33 1HB LYS 33 -7.638 2.053 7.138
212 HB3 LYS 33 2HB LYS 33 -8.752 3.385 6.860
213 HG2 LYS 33 1HG LYS 33 -8.723 2.405 4.399
214 HG3 LYS 33 2HG LYS 33 -8.286 0.931 5.266
215 HD2 LYS 33 1HD LYS 33 -10.568 2.537 6.295
216 HD3 LYS 33 2HD LYS 33 -10.813 1.596 4.822
217 HE2 LYS 33 1HE LYS 33 -10.239 -0.433 5.936
218 HE3 LYS 33 2HE LYS 33 -9.691 0.438 7.367
219 HZ1 LYS 33 3HZ LYS 33 -11.978 1.183 7.719
220 HZ2 LYS 33 1HZ LYS 33 -11.866 -0.505 7.734
221 HZ3 LYS 33 2HZ LYS 33 -12.487 0.289 6.377
222 H THR 34 H THR 34 -5.810 3.412 8.101
223 HA THR 34 HA THR 34 -6.519 5.818 9.279
224 HB THR 34 HB THR 34 -5.442 3.838 10.423
225 HG1 THR 34 HG1 THR 34 -4.848 6.534 10.861
226 HG21 THR 34 3HG2 THR 34 -3.535 3.390 9.109
227 HG22 THR 34 1HG2 THR 34 -2.909 4.066 10.612
228 HG23 THR 34 2HG2 THR 34 -3.002 5.070 9.165
229 H HIS 35 H HIS 35 -4.130 5.174 6.871
230 HA HIS 35 HA HIS 35 -2.783 7.724 7.285
231 HB2 HIS 35 1HB HIS 35 -2.307 5.546 5.239
232 HB3 HIS 35 2HB HIS 35 -1.311 6.985 5.439
233 HD1 HIS 35 HD1 HIS 35 -0.864 7.067 8.415
234 HD2 HIS 35 HD2 HIS 35 -0.787 3.539 6.222
235 HE1 HIS 35 HE1 HIS 35 0.494 5.454 9.785
236 H SER 36 H SER 36 -2.485 9.212 5.466
237 HA SER 36 HA SER 36 -4.792 9.215 3.633
238 HB2 SER 36 1HB SER 36 -3.691 11.414 5.349
239 HB3 SER 36 2HB SER 36 -4.485 11.812 3.825
240 HG SER 36 HG SER 36 -5.763 10.049 5.583
241 H GLY 37 H GLY 37 -4.071 8.903 1.634
242 HA2 GLY 37 1HA GLY 37 -1.422 9.205 0.785
243 HA3 GLY 37 2HA GLY 37 -2.817 9.088 -0.278
244 H GLN 38 H GLN 38 -3.415 10.838 -1.409
245 HA GLN 38 HA GLN 38 -1.815 13.002 -1.819
246 HB2 GLN 38 1HB GLN 38 -3.992 12.226 -3.030
247 HB3 GLN 38 2HB GLN 38 -4.788 13.363 -1.950
248 HG2 GLN 38 1HG GLN 38 -2.725 13.935 -4.052
249 HG3 GLN 38 2HG GLN 38 -4.387 14.516 -3.962
250 HE21 GLN 38 1HE2 GLN 38 -4.897 15.905 -2.081
251 HE22 GLN 38 2HE2 GLN 38 -3.690 17.021 -1.550
252 H SER 39 H SER 39 -1.027 14.355 -0.346
253 HA SER 39 HA SER 39 -2.824 15.358 1.757
254 HB2 SER 39 1HB SER 39 0.161 14.998 1.632
255 HB3 SER 39 2HB SER 39 -0.573 16.088 2.808
256 HG SER 39 HG SER 39 -1.612 13.506 2.588
257 H GLY 40 H GLY 40 -3.802 17.033 0.633
258 HA2 GLY 40 1HA GLY 40 -2.981 19.556 0.786
259 HA3 GLY 40 2HA GLY 40 -2.125 19.038 -0.658
260 HA PRO 41 HA PRO 41 -6.913 18.969 -1.539
261 HB2 PRO 41 1HB PRO 41 -8.360 20.611 0.067
262 HB3 PRO 41 2HB PRO 41 -8.094 18.902 0.431
263 HG2 PRO 41 1HG PRO 41 -6.683 21.310 1.512
264 HG3 PRO 41 2HG PRO 41 -7.248 19.865 2.371
265 HD2 PRO 41 1HD PRO 41 -4.661 20.214 1.651
266 HD3 PRO 41 2HD PRO 41 -5.425 18.613 1.722
267 H SER 42 H SER 42 -4.892 21.613 -0.717
268 HA SER 42 HA SER 42 -6.312 23.743 -1.886
269 HB2 SER 42 1HB SER 42 -4.305 24.988 -1.728
270 HB3 SER 42 2HB SER 42 -4.240 23.852 -0.381
271 HG SER 42 HG SER 42 -2.321 23.529 -1.264
272 H SER 43 H SER 43 -5.466 24.948 -3.856
273 HA SER 43 HA SER 43 -5.579 23.139 -6.101
274 HB2 SER 43 1HB SER 43 -5.636 26.128 -5.790
275 HB3 SER 43 2HB SER 43 -5.404 25.400 -7.380
276 HG SER 43 HG SER 43 -7.669 25.649 -5.919
277 H GLY 44 H GLY 44 -3.370 25.815 -5.245
278 HA2 GLY 44 1HA GLY 44 -0.999 24.364 -5.555
279 HA3 GLY 44 2HA GLY 44 -1.381 25.092 -7.109
Start of MODEL 7
1 H1 GLY 1 H GLY 1 24.954 -5.476 6.789
2 HA2 GLY 1 1HA GLY 1 24.609 -5.503 4.095
3 HA3 GLY 1 2HA GLY 1 26.353 -5.377 4.271
4 H SER 2 H SER 2 27.442 -7.222 4.349
5 HA SER 2 HA SER 2 26.284 -9.722 4.096
6 HB2 SER 2 1HB SER 2 28.696 -9.071 3.629
7 HB3 SER 2 2HB SER 2 28.989 -9.252 5.358
8 HG SER 2 HG SER 2 27.848 -11.435 4.835
9 H SER 3 H SER 3 27.689 -8.270 7.029
10 HA SER 3 HA SER 3 26.388 -10.355 8.631
11 HB2 SER 3 1HB SER 3 28.845 -9.917 8.932
12 HB3 SER 3 2HB SER 3 28.429 -8.315 9.541
13 HG SER 3 HG SER 3 26.997 -9.654 11.032
14 H GLY 4 H GLY 4 24.300 -9.697 8.875
15 HA2 GLY 4 1HA GLY 4 22.887 -8.562 10.485
16 HA3 GLY 4 2HA GLY 4 23.922 -7.152 10.318
17 H SER 5 H SER 5 21.862 -9.259 8.313
18 HA SER 5 HA SER 5 21.425 -7.328 6.298
19 HB2 SER 5 1HB SER 5 20.090 -9.902 7.068
20 HB3 SER 5 2HB SER 5 19.350 -8.863 5.851
21 HG SER 5 HG SER 5 20.993 -9.227 4.511
22 H SER 6 H SER 6 19.999 -5.707 6.115
23 HA SER 6 HA SER 6 18.024 -5.380 8.279
24 HB2 SER 6 1HB SER 6 18.223 -2.919 7.826
25 HB3 SER 6 2HB SER 6 19.701 -3.655 8.447
26 HG SER 6 HG SER 6 19.476 -2.237 6.284
27 H GLY 7 H GLY 7 18.631 -4.361 4.909
28 HA2 GLY 7 1HA GLY 7 17.209 -4.137 3.122
29 HA3 GLY 7 2HA GLY 7 16.250 -5.405 3.870
30 H THR 8 H THR 8 14.913 -3.552 2.481
31 HA THR 8 HA THR 8 13.881 -1.633 4.456
32 HB THR 8 HB THR 8 14.639 -0.674 2.304
33 HG1 THR 8 HG1 THR 8 11.858 -0.554 2.905
34 HG21 THR 8 3HG2 THR 8 12.279 -1.949 0.971
35 HG22 THR 8 1HG2 THR 8 13.828 -2.789 1.028
36 HG23 THR 8 2HG2 THR 8 13.707 -1.213 0.245
37 H GLY 9 H GLY 9 12.852 -4.068 2.087
38 HA2 GLY 9 1HA GLY 9 10.717 -4.972 3.718
39 HA3 GLY 9 2HA GLY 9 10.100 -3.910 2.460
40 H GLU 10 H GLU 10 10.683 -7.056 3.230
41 HA GLU 10 HA GLU 10 10.984 -7.835 0.404
42 HB2 GLU 10 1HB GLU 10 11.822 -9.236 2.938
43 HB3 GLU 10 2HB GLU 10 11.715 -10.071 1.395
44 HG2 GLU 10 1HG GLU 10 13.308 -7.569 1.541
45 HG3 GLU 10 2HG GLU 10 13.974 -9.039 2.250
46 H ASN 11 H ASN 11 8.487 -7.080 1.414
47 HA ASN 11 HA ASN 11 7.075 -9.665 1.393
48 HB2 ASN 11 1HB ASN 11 6.713 -7.302 3.172
49 HB3 ASN 11 2HB ASN 11 5.270 -8.177 2.671
50 HD21 ASN 11 1HD2 ASN 11 8.471 -8.649 4.090
51 HD22 ASN 11 2HD2 ASN 11 8.019 -9.974 5.103
52 HA PRO 12 HA PRO 12 4.833 -8.186 -2.081
53 HB2 PRO 12 1HB PRO 12 2.461 -9.462 -1.739
54 HB3 PRO 12 2HB PRO 12 3.937 -10.296 -2.242
55 HG2 PRO 12 1HG PRO 12 2.694 -10.118 0.476
56 HG3 PRO 12 2HG PRO 12 3.407 -11.522 -0.339
57 HD2 PRO 12 1HD PRO 12 4.736 -10.100 1.542
58 HD3 PRO 12 2HD PRO 12 5.561 -10.890 0.184
59 H TYR 13 H TYR 13 3.920 -7.428 1.097
60 HA TYR 13 HA TYR 13 2.254 -5.230 0.119
61 HB2 TYR 13 1HB TYR 13 1.422 -6.866 2.513
62 HB3 TYR 13 2HB TYR 13 0.498 -5.622 1.678
63 HD1 TYR 13 HD2 TYR 13 -0.289 -6.099 -0.690
64 HD2 TYR 13 HD1 TYR 13 1.257 -9.122 1.875
65 HE1 TYR 13 HE2 TYR 13 -1.348 -7.821 -2.090
66 HE2 TYR 13 HE1 TYR 13 0.202 -10.852 0.481
67 HH TYR 13 HH TYR 13 -1.897 -10.867 -1.160
68 H GLU 14 H GLU 14 3.508 -3.558 0.683
69 HA GLU 14 HA GLU 14 4.319 -3.363 3.506
70 HB2 GLU 14 1HB GLU 14 6.263 -3.861 2.031
71 HB3 GLU 14 2HB GLU 14 5.933 -2.378 1.148
72 HG2 GLU 14 1HG GLU 14 6.332 -2.249 4.094
73 HG3 GLU 14 2HG GLU 14 7.731 -2.443 3.040
74 H CYS 15 H CYS 15 3.667 -1.571 4.507
75 HA CYS 15 HA CYS 15 2.189 0.416 3.017
76 HB2 CYS 15 1HB CYS 15 1.471 -0.508 5.259
77 HB3 CYS 15 2HB CYS 15 2.795 0.404 5.976
78 H CYS 16 H CYS 16 4.189 1.065 1.826
79 HA CYS 16 HA CYS 16 6.456 2.188 2.734
80 HB2 CYS 16 1HB CYS 16 6.444 3.679 0.807
81 HB3 CYS 16 2HB CYS 16 5.808 2.102 0.352
82 H GLU 17 H GLU 17 3.256 3.637 2.916
83 HA GLU 17 HA GLU 17 3.705 6.226 3.541
84 HB2 GLU 17 1HB GLU 17 1.801 4.291 4.855
85 HB3 GLU 17 2HB GLU 17 1.781 6.017 5.190
86 HG2 GLU 17 1HG GLU 17 0.202 5.931 3.565
87 HG3 GLU 17 2HG GLU 17 1.632 6.176 2.564
88 H CYS 18 H CYS 18 3.571 3.705 6.066
89 HA CYS 18 HA CYS 18 5.224 5.428 7.773
90 HB2 CYS 18 1HB CYS 18 4.480 3.927 9.616
91 HB3 CYS 18 2HB CYS 18 3.149 4.744 8.804
92 H GLY 19 H GLY 19 5.001 2.133 6.498
93 HA2 GLY 19 1HA GLY 19 7.157 1.184 5.732
94 HA3 GLY 19 2HA GLY 19 7.838 1.764 7.244
95 H LYS 20 H LYS 20 4.664 0.324 7.084
96 HA LYS 20 HA LYS 20 5.608 -1.840 8.806
97 HB2 LYS 20 1HB LYS 20 3.497 -0.291 9.164
98 HB3 LYS 20 2HB LYS 20 2.728 -1.465 8.104
99 HG2 LYS 20 1HG LYS 20 3.407 -3.261 9.653
100 HG3 LYS 20 2HG LYS 20 4.080 -2.038 10.734
101 HD2 LYS 20 1HD LYS 20 1.828 -0.997 10.868
102 HD3 LYS 20 2HD LYS 20 1.194 -2.330 9.901
103 HE2 LYS 20 1HE LYS 20 2.721 -2.868 12.419
104 HE3 LYS 20 2HE LYS 20 1.014 -2.432 12.486
105 HZ1 LYS 20 3HZ LYS 20 2.124 -4.707 10.934
106 HZ2 LYS 20 1HZ LYS 20 0.487 -4.311 11.099
107 HZ3 LYS 20 2HZ LYS 20 1.369 -4.840 12.442
108 H VAL 21 H VAL 21 4.728 -4.033 8.457
109 HA VAL 21 HA VAL 21 4.356 -4.629 5.594
110 HB VAL 21 HB VAL 21 5.815 -6.452 7.497
111 HG11 VAL 21 1HG1 VAL 21 5.428 -6.349 4.521
112 HG12 VAL 21 2HG1 VAL 21 6.729 -7.282 5.263
113 HG13 VAL 21 3HG1 VAL 21 5.048 -7.660 5.638
114 HG21 VAL 21 3HG2 VAL 21 6.864 -4.106 7.071
115 HG22 VAL 21 1HG2 VAL 21 7.865 -5.551 6.935
116 HG23 VAL 21 2HG2 VAL 21 7.243 -4.770 5.481
117 H PHE 22 H PHE 22 3.131 -6.524 5.107
118 HA PHE 22 HA PHE 22 1.593 -7.677 7.313
119 HB2 PHE 22 1HB PHE 22 0.299 -6.579 4.810
120 HB3 PHE 22 2HB PHE 22 -0.523 -7.343 6.167
121 HD1 PHE 22 HD2 PHE 22 1.736 -4.473 5.425
122 HD2 PHE 22 HD1 PHE 22 -1.451 -6.008 7.792
123 HE1 PHE 22 HE2 PHE 22 1.481 -2.275 6.501
124 HE2 PHE 22 HE1 PHE 22 -1.712 -3.812 8.871
125 HZ PHE 22 HZ PHE 22 -0.244 -1.942 8.227
126 H SER 23 H SER 23 0.145 -9.504 6.423
127 HA SER 23 HA SER 23 1.837 -11.148 4.693
128 HB2 SER 23 1HB SER 23 -0.266 -11.738 6.744
129 HB3 SER 23 2HB SER 23 0.096 -12.942 5.508
130 HG SER 23 HG SER 23 2.314 -12.780 6.185
131 H ARG 24 H ARG 24 -1.460 -9.924 4.963
132 HA ARG 24 HA ARG 24 -1.888 -10.685 2.151
133 HB2 ARG 24 1HB ARG 24 -3.955 -10.725 4.359
134 HB3 ARG 24 2HB ARG 24 -4.259 -11.078 2.663
135 HG2 ARG 24 1HG ARG 24 -3.015 -13.078 2.751
136 HG3 ARG 24 2HG ARG 24 -2.310 -12.656 4.313
137 HD2 ARG 24 1HD ARG 24 -4.383 -12.967 5.428
138 HD3 ARG 24 2HD ARG 24 -5.261 -13.072 3.902
139 HE ARG 24 HE ARG 24 -3.943 -15.194 5.255
140 HH11 ARG 24 1HH1 ARG 24 -4.691 -13.967 2.084
141 HH12 ARG 24 2HH1 ARG 24 -4.639 -15.524 1.326
142 HH21 ARG 24 1HH2 ARG 24 -3.872 -17.250 4.269
143 HH22 ARG 24 2HH2 ARG 24 -4.175 -17.391 2.570
144 H LYS 25 H LYS 25 -2.995 -9.224 0.865
145 HA LYS 25 HA LYS 25 -2.630 -6.531 1.287
146 HB2 LYS 25 1HB LYS 25 -3.212 -7.640 -0.886
147 HB3 LYS 25 2HB LYS 25 -4.881 -7.724 -0.337
148 HG2 LYS 25 1HG LYS 25 -4.898 -5.826 -1.630
149 HG3 LYS 25 2HG LYS 25 -4.632 -5.159 -0.018
150 HD2 LYS 25 1HD LYS 25 -2.273 -4.947 -0.438
151 HD3 LYS 25 2HD LYS 25 -2.430 -5.785 -1.983
152 HE2 LYS 25 1HE LYS 25 -4.068 -3.892 -2.592
153 HE3 LYS 25 2HE LYS 25 -3.361 -3.037 -1.222
154 HZ1 LYS 25 3HZ LYS 25 -1.353 -2.836 -2.266
155 HZ2 LYS 25 1HZ LYS 25 -2.383 -2.763 -3.606
156 HZ3 LYS 25 2HZ LYS 25 -1.575 -4.202 -3.238
157 H ASP 26 H ASP 26 -5.606 -8.399 1.842
158 HA ASP 26 HA ASP 26 -7.369 -6.494 2.608
159 HB2 ASP 26 1HB ASP 26 -8.106 -8.247 4.407
160 HB3 ASP 26 2HB ASP 26 -8.233 -8.643 2.696
161 H GLN 27 H GLN 27 -4.941 -7.967 4.756
162 HA GLN 27 HA GLN 27 -5.565 -6.426 7.023
163 HB2 GLN 27 1HB GLN 27 -2.921 -7.683 6.271
164 HB3 GLN 27 2HB GLN 27 -3.375 -7.131 7.877
165 HG2 GLN 27 1HG GLN 27 -4.400 -9.481 6.338
166 HG3 GLN 27 2HG GLN 27 -3.692 -9.430 7.951
167 HE21 GLN 27 1HE2 GLN 27 -6.382 -10.243 6.626
168 HE22 GLN 27 2HE2 GLN 27 -7.553 -9.606 7.725
169 H LEU 28 H LEU 28 -3.620 -5.769 4.213
170 HA LEU 28 HA LEU 28 -2.245 -3.518 5.332
171 HB2 LEU 28 1HB LEU 28 -1.350 -4.858 3.465
172 HB3 LEU 28 2HB LEU 28 -2.664 -4.277 2.444
173 HG LEU 28 HG LEU 28 -1.633 -1.922 3.134
174 HD11 LEU 28 1HD1 LEU 28 0.118 -2.558 4.536
175 HD12 LEU 28 2HD1 LEU 28 0.904 -2.251 2.988
176 HD13 LEU 28 3HD1 LEU 28 0.584 -3.908 3.500
177 HD21 LEU 28 3HD2 LEU 28 -1.811 -3.348 0.865
178 HD22 LEU 28 1HD2 LEU 28 -0.057 -3.297 1.050
179 HD23 LEU 28 2HD2 LEU 28 -0.980 -1.795 0.975
180 H VAL 29 H VAL 29 -5.034 -3.948 3.185
181 HA VAL 29 HA VAL 29 -5.558 -1.303 2.560
182 HB VAL 29 HB VAL 29 -7.601 -3.468 3.081
183 HG11 VAL 29 1HG1 VAL 29 -8.459 -1.746 1.049
184 HG12 VAL 29 2HG1 VAL 29 -9.116 -1.892 2.680
185 HG13 VAL 29 3HG1 VAL 29 -7.860 -0.702 2.338
186 HG21 VAL 29 3HG2 VAL 29 -6.659 -2.708 0.359
187 HG22 VAL 29 1HG2 VAL 29 -5.648 -3.766 1.344
188 HG23 VAL 29 2HG2 VAL 29 -7.298 -4.245 0.944
189 H SER 30 H SER 30 -7.078 -3.173 5.194
190 HA SER 30 HA SER 30 -8.528 -1.181 6.388
191 HB2 SER 30 1HB SER 30 -8.765 -3.412 7.198
192 HB3 SER 30 2HB SER 30 -7.059 -3.508 7.633
193 HG SER 30 HG SER 30 -7.439 -1.984 9.259
194 H HIS 31 H HIS 31 -5.114 -1.967 6.949
195 HA HIS 31 HA HIS 31 -4.654 -0.039 8.949
196 HB2 HIS 31 1HB HIS 31 -3.058 -1.786 8.710
197 HB3 HIS 31 2HB HIS 31 -2.813 -1.427 7.004
198 HD1 HIS 31 HD1 HIS 31 -2.332 0.405 10.312
199 HD2 HIS 31 HD2 HIS 31 -0.551 -0.021 6.582
200 HE1 HIS 31 HE1 HIS 31 -0.228 1.779 10.410
201 H GLN 32 H GLN 32 -3.632 0.065 5.529
202 HA GLN 32 HA GLN 32 -2.639 2.529 5.264
203 HB2 GLN 32 1HB GLN 32 -4.553 1.075 3.458
204 HB3 GLN 32 2HB GLN 32 -3.900 2.646 3.012
205 HG2 GLN 32 1HG GLN 32 -1.613 1.689 3.297
206 HG3 GLN 32 2HG GLN 32 -2.367 0.111 3.518
207 HE21 GLN 32 1HE2 GLN 32 -0.621 0.271 1.548
208 HE22 GLN 32 2HE2 GLN 32 -1.395 0.315 0.005
209 H LYS 33 H LYS 33 -6.016 1.794 5.825
210 HA LYS 33 HA LYS 33 -7.316 4.102 5.207
211 HB2 LYS 33 1HB LYS 33 -7.683 2.525 7.761
212 HB3 LYS 33 2HB LYS 33 -8.859 3.623 7.053
213 HG2 LYS 33 1HG LYS 33 -7.842 1.109 5.746
214 HG3 LYS 33 2HG LYS 33 -9.370 1.258 6.617
215 HD2 LYS 33 1HD LYS 33 -9.702 3.277 4.929
216 HD3 LYS 33 2HD LYS 33 -8.578 2.324 3.956
217 HE2 LYS 33 1HE LYS 33 -10.041 0.437 3.988
218 HE3 LYS 33 2HE LYS 33 -11.093 1.202 5.179
219 HZ1 LYS 33 3HZ LYS 33 -12.198 2.251 3.583
220 HZ2 LYS 33 1HZ LYS 33 -11.383 1.285 2.458
221 HZ3 LYS 33 2HZ LYS 33 -10.782 2.817 2.850
222 H THR 34 H THR 34 -5.516 3.493 8.214
223 HA THR 34 HA THR 34 -5.951 5.791 9.605
224 HB THR 34 HB THR 34 -3.634 5.583 10.505
225 HG1 THR 34 HG1 THR 34 -3.372 3.338 8.785
226 HG21 THR 34 3HG2 THR 34 -5.712 3.567 10.518
227 HG22 THR 34 1HG2 THR 34 -4.710 4.155 11.844
228 HG23 THR 34 2HG2 THR 34 -4.123 2.859 10.802
229 H HIS 35 H HIS 35 -3.620 5.358 6.965
230 HA HIS 35 HA HIS 35 -2.773 8.110 7.071
231 HB2 HIS 35 1HB HIS 35 -2.238 6.113 4.870
232 HB3 HIS 35 2HB HIS 35 -1.316 7.565 5.248
233 HD1 HIS 35 HD1 HIS 35 0.096 7.479 7.508
234 HD2 HIS 35 HD2 HIS 35 -1.449 3.851 6.201
235 HE1 HIS 35 HE1 HIS 35 1.366 5.713 8.771
236 H SER 36 H SER 36 -4.753 9.222 6.773
237 HA SER 36 HA SER 36 -6.183 8.858 4.271
238 HB2 SER 36 1HB SER 36 -7.659 10.678 5.188
239 HB3 SER 36 2HB SER 36 -7.552 9.246 6.211
240 HG SER 36 HG SER 36 -6.210 11.720 6.554
241 H GLY 37 H GLY 37 -6.866 11.016 3.167
242 HA2 GLY 37 1HA GLY 37 -4.401 12.593 2.760
243 HA3 GLY 37 2HA GLY 37 -5.549 12.220 1.484
244 H GLN 38 H GLN 38 -4.480 14.655 3.324
245 HA GLN 38 HA GLN 38 -6.917 15.890 4.149
246 HB2 GLN 38 1HB GLN 38 -5.519 17.880 4.540
247 HB3 GLN 38 2HB GLN 38 -4.821 16.433 5.255
248 HG2 GLN 38 1HG GLN 38 -3.377 16.254 3.201
249 HG3 GLN 38 2HG GLN 38 -3.952 17.861 2.760
250 HE21 GLN 38 1HE2 GLN 38 -3.715 19.514 4.545
251 HE22 GLN 38 2HE2 GLN 38 -2.229 19.492 5.426
252 H SER 39 H SER 39 -4.743 16.308 1.380
253 HA SER 39 HA SER 39 -6.499 18.292 0.197
254 HB2 SER 39 1HB SER 39 -3.871 17.079 -0.662
255 HB3 SER 39 2HB SER 39 -4.786 18.182 -1.690
256 HG SER 39 HG SER 39 -4.542 19.783 -0.165
257 H GLY 40 H GLY 40 -8.192 17.759 -1.002
258 HA2 GLY 40 1HA GLY 40 -9.458 16.696 -2.612
259 HA3 GLY 40 2HA GLY 40 -8.039 15.752 -3.039
260 HA PRO 41 HA PRO 41 -10.150 13.416 0.637
261 HB2 PRO 41 1HB PRO 41 -12.604 14.304 1.386
262 HB3 PRO 41 2HB PRO 41 -11.105 14.897 2.112
263 HG2 PRO 41 1HG PRO 41 -12.795 16.138 -0.025
264 HG3 PRO 41 2HG PRO 41 -12.019 16.903 1.374
265 HD2 PRO 41 1HD PRO 41 -10.972 17.026 -1.120
266 HD3 PRO 41 2HD PRO 41 -9.962 17.000 0.339
267 H SER 42 H SER 42 -12.654 14.868 -1.454
268 HA SER 42 HA SER 42 -13.814 12.243 -1.926
269 HB2 SER 42 1HB SER 42 -15.369 14.058 -1.536
270 HB3 SER 42 2HB SER 42 -14.646 15.008 -2.834
271 HG SER 42 HG SER 42 -15.506 13.655 -4.320
272 H SER 43 H SER 43 -12.457 11.112 -3.241
273 HA SER 43 HA SER 43 -11.917 12.286 -5.891
274 HB2 SER 43 1HB SER 43 -10.206 10.478 -4.188
275 HB3 SER 43 2HB SER 43 -9.938 10.660 -5.922
276 HG SER 43 HG SER 43 -9.595 12.867 -5.589
277 H GLY 44 H GLY 44 -13.933 11.418 -6.628
278 HA2 GLY 44 1HA GLY 44 -14.315 9.571 -8.274
279 HA3 GLY 44 2HA GLY 44 -13.883 8.482 -6.964
Start of MODEL 8
1 H1 GLY 1 H GLY 1 30.444 -3.670 20.009
2 HA2 GLY 1 1HA GLY 1 30.415 -6.615 20.267
3 HA3 GLY 1 2HA GLY 1 28.998 -5.618 20.563
4 H SER 2 H SER 2 28.021 -7.084 18.965
5 HA SER 2 HA SER 2 28.039 -5.861 16.365
6 HB2 SER 2 1HB SER 2 28.505 -8.024 15.162
7 HB3 SER 2 2HB SER 2 29.901 -7.335 15.991
8 HG SER 2 HG SER 2 28.847 -9.741 16.304
9 H SER 3 H SER 3 26.047 -5.925 15.542
10 HA SER 3 HA SER 3 24.298 -8.145 15.743
11 HB2 SER 3 1HB SER 3 24.242 -7.123 18.103
12 HB3 SER 3 2HB SER 3 23.374 -5.777 17.365
13 HG SER 3 HG SER 3 21.865 -7.392 16.577
14 H GLY 4 H GLY 4 22.569 -7.963 14.357
15 HA2 GLY 4 1HA GLY 4 21.573 -5.486 13.381
16 HA3 GLY 4 2HA GLY 4 22.716 -6.178 12.240
17 H SER 5 H SER 5 20.476 -5.944 11.079
18 HA SER 5 HA SER 5 18.674 -8.154 11.595
19 HB2 SER 5 1HB SER 5 17.902 -5.860 10.862
20 HB3 SER 5 2HB SER 5 18.594 -6.211 9.279
21 HG SER 5 HG SER 5 16.286 -7.153 10.446
22 H SER 6 H SER 6 19.710 -10.044 11.118
23 HA SER 6 HA SER 6 20.922 -10.336 8.465
24 HB2 SER 6 1HB SER 6 22.326 -11.083 10.292
25 HB3 SER 6 2HB SER 6 21.034 -12.106 10.918
26 HG SER 6 HG SER 6 21.821 -12.517 8.279
27 H GLY 7 H GLY 7 20.116 -11.669 6.924
28 HA2 GLY 7 1HA GLY 7 18.840 -13.651 6.317
29 HA3 GLY 7 2HA GLY 7 17.735 -13.266 7.628
30 H THR 8 H THR 8 17.243 -13.695 4.745
31 HA THR 8 HA THR 8 16.329 -11.050 3.887
32 HB THR 8 HB THR 8 16.337 -13.670 2.376
33 HG1 THR 8 HG1 THR 8 17.955 -11.461 1.733
34 HG21 THR 8 3HG2 THR 8 16.137 -11.879 0.446
35 HG22 THR 8 1HG2 THR 8 15.377 -10.926 1.720
36 HG23 THR 8 2HG2 THR 8 14.705 -12.494 1.271
37 H GLY 9 H GLY 9 14.178 -10.592 3.410
38 HA2 GLY 9 1HA GLY 9 12.061 -12.432 3.453
39 HA3 GLY 9 2HA GLY 9 12.240 -11.773 5.072
40 H GLU 10 H GLU 10 11.078 -11.235 1.898
41 HA GLU 10 HA GLU 10 10.175 -8.547 2.698
42 HB2 GLU 10 1HB GLU 10 11.056 -9.514 -0.022
43 HB3 GLU 10 2HB GLU 10 10.177 -8.012 0.227
44 HG2 GLU 10 1HG GLU 10 12.010 -7.276 1.746
45 HG3 GLU 10 2HG GLU 10 12.906 -8.719 1.274
46 H ASN 11 H ASN 11 8.069 -7.981 2.216
47 HA ASN 11 HA ASN 11 6.345 -10.210 1.368
48 HB2 ASN 11 1HB ASN 11 5.908 -7.920 3.268
49 HB3 ASN 11 2HB ASN 11 4.542 -8.765 2.546
50 HD21 ASN 11 1HD2 ASN 11 7.538 -9.347 4.334
51 HD22 ASN 11 2HD2 ASN 11 6.938 -10.686 5.246
52 HA PRO 12 HA PRO 12 5.059 -7.991 -2.197
53 HB2 PRO 12 1HB PRO 12 2.525 -8.924 -2.475
54 HB3 PRO 12 2HB PRO 12 3.953 -9.903 -2.828
55 HG2 PRO 12 1HG PRO 12 2.234 -9.874 -0.377
56 HG3 PRO 12 2HG PRO 12 2.910 -11.260 -1.254
57 HD2 PRO 12 1HD PRO 12 4.013 -10.298 1.024
58 HD3 PRO 12 2HD PRO 12 4.982 -11.032 -0.270
59 H TYR 13 H TYR 13 3.884 -7.336 0.842
60 HA TYR 13 HA TYR 13 2.430 -4.984 -0.152
61 HB2 TYR 13 1HB TYR 13 1.539 -6.612 2.233
62 HB3 TYR 13 2HB TYR 13 0.711 -5.234 1.518
63 HD1 TYR 13 HD2 TYR 13 -0.388 -5.467 -0.695
64 HD2 TYR 13 HD1 TYR 13 1.294 -8.808 1.332
65 HE1 TYR 13 HE2 TYR 13 -1.672 -6.984 -2.143
66 HE2 TYR 13 HE1 TYR 13 0.015 -10.335 -0.111
67 HH TYR 13 HH TYR 13 -2.561 -9.423 -1.927
68 H GLU 14 H GLU 14 3.554 -3.270 0.471
69 HA GLU 14 HA GLU 14 4.528 -3.159 3.239
70 HB2 GLU 14 1HB GLU 14 6.303 -3.643 1.348
71 HB3 GLU 14 2HB GLU 14 6.166 -1.912 1.072
72 HG2 GLU 14 1HG GLU 14 6.586 -1.705 3.608
73 HG3 GLU 14 2HG GLU 14 7.176 -3.362 3.482
74 H CYS 15 H CYS 15 3.754 -1.439 4.251
75 HA CYS 15 HA CYS 15 2.300 0.590 2.880
76 HB2 CYS 15 1HB CYS 15 1.505 0.087 5.035
77 HB3 CYS 15 2HB CYS 15 3.114 0.173 5.745
78 H CYS 16 H CYS 16 3.414 1.938 1.593
79 HA CYS 16 HA CYS 16 6.014 2.947 2.351
80 HB2 CYS 16 1HB CYS 16 5.434 2.378 -0.007
81 HB3 CYS 16 2HB CYS 16 4.288 3.714 -0.011
82 H GLU 17 H GLU 17 4.220 3.688 4.268
83 HA GLU 17 HA GLU 17 4.077 6.596 3.862
84 HB2 GLU 17 1HB GLU 17 1.984 5.001 5.342
85 HB3 GLU 17 2HB GLU 17 1.950 6.721 4.981
86 HG2 GLU 17 1HG GLU 17 1.456 6.380 2.751
87 HG3 GLU 17 2HG GLU 17 2.074 4.729 2.762
88 H CYS 18 H CYS 18 4.142 3.926 6.185
89 HA CYS 18 HA CYS 18 5.573 5.699 8.053
90 HB2 CYS 18 1HB CYS 18 4.495 4.591 9.927
91 HB3 CYS 18 2HB CYS 18 3.270 5.244 8.845
92 H GLY 19 H GLY 19 4.978 2.331 7.089
93 HA2 GLY 19 1HA GLY 19 7.128 1.144 6.507
94 HA3 GLY 19 2HA GLY 19 7.677 1.669 8.092
95 H LYS 20 H LYS 20 4.577 0.294 7.022
96 HA LYS 20 HA LYS 20 4.955 -1.836 9.022
97 HB2 LYS 20 1HB LYS 20 2.528 -0.318 8.136
98 HB3 LYS 20 2HB LYS 20 2.350 -1.944 8.784
99 HG2 LYS 20 1HG LYS 20 3.955 0.014 10.335
100 HG3 LYS 20 2HG LYS 20 2.199 0.187 10.323
101 HD2 LYS 20 1HD LYS 20 1.918 -2.042 11.176
102 HD3 LYS 20 2HD LYS 20 3.646 -2.366 11.021
103 HE2 LYS 20 1HE LYS 20 3.425 -1.892 13.276
104 HE3 LYS 20 2HE LYS 20 3.917 -0.337 12.608
105 HZ1 LYS 20 3HZ LYS 20 1.680 -0.852 14.126
106 HZ2 LYS 20 1HZ LYS 20 1.093 -0.612 12.558
107 HZ3 LYS 20 2HZ LYS 20 2.037 0.580 13.299
108 H VAL 21 H VAL 21 5.123 -3.846 8.287
109 HA VAL 21 HA VAL 21 4.457 -4.377 5.482
110 HB VAL 21 HB VAL 21 5.958 -6.224 7.327
111 HG11 VAL 21 1HG1 VAL 21 6.631 -7.350 5.414
112 HG12 VAL 21 2HG1 VAL 21 4.961 -6.917 5.041
113 HG13 VAL 21 3HG1 VAL 21 6.290 -5.976 4.363
114 HG21 VAL 21 3HG2 VAL 21 8.033 -5.273 6.441
115 HG22 VAL 21 1HG2 VAL 21 7.101 -4.054 5.571
116 HG23 VAL 21 2HG2 VAL 21 7.103 -4.070 7.334
117 H PHE 22 H PHE 22 3.201 -6.151 4.861
118 HA PHE 22 HA PHE 22 1.731 -7.541 6.985
119 HB2 PHE 22 1HB PHE 22 0.516 -6.085 4.634
120 HB3 PHE 22 2HB PHE 22 -0.363 -7.272 5.592
121 HD1 PHE 22 HD1 PHE 22 -0.781 -6.827 8.009
122 HD2 PHE 22 HD2 PHE 22 0.803 -3.872 5.386
123 HE1 PHE 22 HE1 PHE 22 -1.402 -5.072 9.617
124 HE2 PHE 22 HE2 PHE 22 0.185 -2.112 6.990
125 HZ PHE 22 HZ PHE 22 -0.919 -2.711 9.109
126 H SER 23 H SER 23 0.550 -9.461 6.169
127 HA SER 23 HA SER 23 2.205 -10.847 4.206
128 HB2 SER 23 1HB SER 23 1.602 -11.807 6.508
129 HB3 SER 23 2HB SER 23 -0.010 -12.075 5.844
130 HG SER 23 HG SER 23 1.437 -13.095 4.046
131 H ARG 24 H ARG 24 -1.148 -9.914 4.763
132 HA ARG 24 HA ARG 24 -1.723 -10.590 1.955
133 HB2 ARG 24 1HB ARG 24 -3.668 -10.827 4.257
134 HB3 ARG 24 2HB ARG 24 -3.978 -11.241 2.576
135 HG2 ARG 24 1HG ARG 24 -2.716 -13.166 2.675
136 HG3 ARG 24 2HG ARG 24 -1.762 -12.594 4.046
137 HD2 ARG 24 1HD ARG 24 -3.185 -14.247 4.925
138 HD3 ARG 24 2HD ARG 24 -3.910 -12.710 5.395
139 HE ARG 24 HE ARG 24 -5.710 -13.169 4.037
140 HH11 ARG 24 1HH1 ARG 24 -3.146 -15.439 3.407
141 HH12 ARG 24 2HH1 ARG 24 -4.128 -16.477 2.428
142 HH21 ARG 24 1HH2 ARG 24 -7.014 -14.528 2.750
143 HH22 ARG 24 2HH2 ARG 24 -6.328 -15.958 2.054
144 H LYS 25 H LYS 25 -2.530 -8.982 0.765
145 HA LYS 25 HA LYS 25 -2.481 -6.367 1.317
146 HB2 LYS 25 1HB LYS 25 -3.288 -7.681 -0.822
147 HB3 LYS 25 2HB LYS 25 -4.886 -7.314 -0.187
148 HG2 LYS 25 1HG LYS 25 -4.473 -4.966 -0.307
149 HG3 LYS 25 2HG LYS 25 -2.775 -5.234 -0.708
150 HD2 LYS 25 1HD LYS 25 -3.273 -5.973 -2.859
151 HD3 LYS 25 2HD LYS 25 -4.949 -6.342 -2.448
152 HE2 LYS 25 1HE LYS 25 -3.926 -3.529 -2.339
153 HE3 LYS 25 2HE LYS 25 -4.432 -4.242 -3.869
154 HZ1 LYS 25 3HZ LYS 25 -6.057 -3.669 -1.475
155 HZ2 LYS 25 1HZ LYS 25 -6.562 -4.826 -2.602
156 HZ3 LYS 25 2HZ LYS 25 -6.338 -3.220 -3.082
157 H ASP 26 H ASP 26 -5.322 -8.420 1.925
158 HA ASP 26 HA ASP 26 -7.172 -6.699 2.843
159 HB2 ASP 26 1HB ASP 26 -6.366 -9.412 3.820
160 HB3 ASP 26 2HB ASP 26 -7.610 -8.519 4.691
161 H GLN 27 H GLN 27 -4.609 -8.041 4.931
162 HA GLN 27 HA GLN 27 -5.199 -6.517 7.196
163 HB2 GLN 27 1HB GLN 27 -2.490 -7.541 6.332
164 HB3 GLN 27 2HB GLN 27 -2.951 -7.075 7.964
165 HG2 GLN 27 1HG GLN 27 -3.843 -9.453 6.376
166 HG3 GLN 27 2HG GLN 27 -3.034 -9.409 7.941
167 HE21 GLN 27 1HE2 GLN 27 -5.809 -10.217 6.621
168 HE22 GLN 27 2HE2 GLN 27 -6.921 -9.791 7.873
169 H LEU 28 H LEU 28 -3.391 -5.738 4.315
170 HA LEU 28 HA LEU 28 -2.144 -3.391 5.361
171 HB2 LEU 28 1HB LEU 28 -1.250 -4.631 3.442
172 HB3 LEU 28 2HB LEU 28 -2.677 -4.196 2.504
173 HG LEU 28 HG LEU 28 -1.866 -1.743 3.065
174 HD11 LEU 28 1HD1 LEU 28 0.565 -3.455 3.442
175 HD12 LEU 28 2HD1 LEU 28 -0.019 -2.119 4.433
176 HD13 LEU 28 3HD1 LEU 28 0.690 -1.798 2.850
177 HD21 LEU 28 3HD2 LEU 28 -0.477 -3.401 0.966
178 HD22 LEU 28 1HD2 LEU 28 -0.810 -1.670 0.922
179 HD23 LEU 28 2HD2 LEU 28 -2.140 -2.826 0.832
180 H VAL 29 H VAL 29 -4.956 -3.954 3.257
181 HA VAL 29 HA VAL 29 -5.727 -1.394 2.692
182 HB VAL 29 HB VAL 29 -7.556 -3.683 3.428
183 HG11 VAL 29 1HG1 VAL 29 -8.542 -1.335 3.423
184 HG12 VAL 29 2HG1 VAL 29 -8.242 -1.335 1.684
185 HG13 VAL 29 3HG1 VAL 29 -9.324 -2.534 2.393
186 HG21 VAL 29 3HG2 VAL 29 -5.945 -3.053 1.062
187 HG22 VAL 29 1HG2 VAL 29 -6.629 -4.589 1.595
188 HG23 VAL 29 2HG2 VAL 29 -7.631 -3.434 0.716
189 H SER 30 H SER 30 -6.866 -3.256 5.517
190 HA SER 30 HA SER 30 -8.302 -1.247 6.760
191 HB2 SER 30 1HB SER 30 -7.987 -3.773 7.375
192 HB3 SER 30 2HB SER 30 -6.691 -3.169 8.408
193 HG SER 30 HG SER 30 -9.435 -2.889 8.649
194 H HIS 31 H HIS 31 -4.845 -1.870 6.807
195 HA HIS 31 HA HIS 31 -4.209 -0.033 8.875
196 HB2 HIS 31 1HB HIS 31 -2.680 -1.835 8.224
197 HB3 HIS 31 2HB HIS 31 -2.479 -1.103 6.635
198 HD1 HIS 31 HD1 HIS 31 -1.808 -0.273 10.279
199 HD2 HIS 31 HD2 HIS 31 -0.419 0.661 6.477
200 HE1 HIS 31 HE1 HIS 31 0.226 1.162 10.640
201 H GLN 32 H GLN 32 -4.100 0.202 5.330
202 HA GLN 32 HA GLN 32 -3.117 2.805 5.148
203 HB2 GLN 32 1HB GLN 32 -4.973 1.296 3.305
204 HB3 GLN 32 2HB GLN 32 -4.222 2.833 2.898
205 HG2 GLN 32 1HG GLN 32 -2.006 1.783 3.189
206 HG3 GLN 32 2HG GLN 32 -2.810 0.240 3.474
207 HE21 GLN 32 1HE2 GLN 32 -1.076 0.206 1.515
208 HE22 GLN 32 2HE2 GLN 32 -1.837 0.232 -0.036
209 H LYS 33 H LYS 33 -6.234 1.647 6.052
210 HA LYS 33 HA LYS 33 -7.896 3.763 5.403
211 HB2 LYS 33 1HB LYS 33 -7.934 2.029 7.880
212 HB3 LYS 33 2HB LYS 33 -9.256 3.070 7.368
213 HG2 LYS 33 1HG LYS 33 -8.209 1.038 5.462
214 HG3 LYS 33 2HG LYS 33 -9.245 0.516 6.793
215 HD2 LYS 33 1HD LYS 33 -10.872 2.311 6.046
216 HD3 LYS 33 2HD LYS 33 -9.888 2.464 4.589
217 HE2 LYS 33 1HE LYS 33 -11.467 0.949 3.893
218 HE3 LYS 33 2HE LYS 33 -10.202 -0.133 4.473
219 HZ1 LYS 33 3HZ LYS 33 -11.892 -1.038 5.613
220 HZ2 LYS 33 1HZ LYS 33 -12.852 0.353 5.539
221 HZ3 LYS 33 2HZ LYS 33 -11.626 0.233 6.697
222 H THR 34 H THR 34 -5.439 3.548 7.853
223 HA THR 34 HA THR 34 -6.273 6.118 8.998
224 HB THR 34 HB THR 34 -5.819 4.240 10.568
225 HG1 THR 34 HG1 THR 34 -5.524 6.434 11.226
226 HG21 THR 34 3HG2 THR 34 -3.267 4.244 9.100
227 HG22 THR 34 1HG2 THR 34 -4.083 2.933 9.951
228 HG23 THR 34 2HG2 THR 34 -3.126 4.108 10.853
229 H HIS 35 H HIS 35 -5.064 5.952 6.373
230 HA HIS 35 HA HIS 35 -2.660 7.564 6.898
231 HB2 HIS 35 1HB HIS 35 -2.979 5.220 5.085
232 HB3 HIS 35 2HB HIS 35 -1.962 6.550 4.540
233 HD1 HIS 35 HD1 HIS 35 -0.084 7.260 6.488
234 HD2 HIS 35 HD2 HIS 35 -1.610 3.396 6.524
235 HE1 HIS 35 HE1 HIS 35 1.564 5.899 7.813
236 H SER 36 H SER 36 -5.270 6.770 4.648
237 HA SER 36 HA SER 36 -4.818 9.196 3.120
238 HB2 SER 36 1HB SER 36 -6.833 6.957 2.873
239 HB3 SER 36 2HB SER 36 -6.847 8.381 1.833
240 HG SER 36 HG SER 36 -4.765 6.472 2.103
241 H GLY 37 H GLY 37 -5.225 10.765 4.744
242 HA2 GLY 37 1HA GLY 37 -7.722 11.926 4.743
243 HA3 GLY 37 2HA GLY 37 -7.710 10.873 6.150
244 H GLN 38 H GLN 38 -5.847 13.466 4.591
245 HA GLN 38 HA GLN 38 -5.154 14.438 7.284
246 HB2 GLN 38 1HB GLN 38 -3.478 14.087 4.853
247 HB3 GLN 38 2HB GLN 38 -3.170 15.505 5.846
248 HG2 GLN 38 1HG GLN 38 -2.964 13.953 7.810
249 HG3 GLN 38 2HG GLN 38 -3.006 12.619 6.659
250 HE21 GLN 38 1HE2 GLN 38 -1.242 15.511 7.597
251 HE22 GLN 38 2HE2 GLN 38 0.284 15.012 6.960
252 H SER 39 H SER 39 -4.889 16.749 7.487
253 HA SER 39 HA SER 39 -6.010 18.767 7.368
254 HB2 SER 39 1HB SER 39 -5.281 20.053 5.409
255 HB3 SER 39 2HB SER 39 -3.956 19.077 6.042
256 HG SER 39 HG SER 39 -4.583 19.111 3.620
257 H GLY 40 H GLY 40 -7.867 16.754 6.965
258 HA2 GLY 40 1HA GLY 40 -9.365 16.871 4.615
259 HA3 GLY 40 2HA GLY 40 -10.007 16.447 6.195
260 HA PRO 41 HA PRO 41 -12.337 20.149 6.372
261 HB2 PRO 41 1HB PRO 41 -12.058 20.941 8.954
262 HB3 PRO 41 2HB PRO 41 -13.016 19.534 8.479
263 HG2 PRO 41 1HG PRO 41 -10.225 19.650 9.555
264 HG3 PRO 41 2HG PRO 41 -11.539 18.535 9.971
265 HD2 PRO 41 1HD PRO 41 -9.530 17.856 8.287
266 HD3 PRO 41 2HD PRO 41 -11.178 17.218 8.115
267 H SER 42 H SER 42 -12.279 22.473 6.665
268 HA SER 42 HA SER 42 -9.785 23.599 5.861
269 HB2 SER 42 1HB SER 42 -12.519 24.695 6.425
270 HB3 SER 42 2HB SER 42 -11.158 25.799 6.232
271 HG SER 42 HG SER 42 -12.407 25.208 4.277
272 H SER 43 H SER 43 -11.813 24.042 8.757
273 HA SER 43 HA SER 43 -9.557 24.190 10.487
274 HB2 SER 43 1HB SER 43 -9.597 26.486 11.111
275 HB3 SER 43 2HB SER 43 -9.561 26.469 9.348
276 HG SER 43 HG SER 43 -11.922 26.712 10.904
277 H GLY 44 H GLY 44 -10.145 24.303 12.709
278 HA2 GLY 44 1HA GLY 44 -12.698 24.785 13.714
279 HA3 GLY 44 2HA GLY 44 -12.627 23.079 13.301
Start of MODEL 9
1 H1 GLY 1 H GLY 1 22.077 1.450 23.442
2 HA2 GLY 1 1HA GLY 1 23.468 0.254 21.777
3 HA3 GLY 1 2HA GLY 1 23.830 -0.899 23.053
4 H SER 2 H SER 2 20.785 0.575 21.942
5 HA SER 2 HA SER 2 19.633 -2.121 21.816
6 HB2 SER 2 1HB SER 2 17.488 -1.114 22.076
7 HB3 SER 2 2HB SER 2 18.551 -0.305 23.228
8 HG SER 2 HG SER 2 17.939 1.459 22.279
9 H SER 3 H SER 3 18.276 -2.711 20.036
10 HA SER 3 HA SER 3 18.677 -1.145 17.584
11 HB2 SER 3 1HB SER 3 19.069 -4.140 17.804
12 HB3 SER 3 2HB SER 3 19.164 -3.193 16.319
13 HG SER 3 HG SER 3 20.780 -2.493 18.503
14 H GLY 4 H GLY 4 16.928 -1.008 16.287
15 HA2 GLY 4 1HA GLY 4 14.595 -2.672 17.016
16 HA3 GLY 4 2HA GLY 4 14.462 -0.979 16.562
17 H SER 5 H SER 5 16.197 -0.938 14.371
18 HA SER 5 HA SER 5 14.476 -2.061 12.368
19 HB2 SER 5 1HB SER 5 17.139 -0.663 12.023
20 HB3 SER 5 2HB SER 5 15.935 -0.947 10.766
21 HG SER 5 HG SER 5 15.864 1.185 11.698
22 H SER 6 H SER 6 14.559 -4.155 11.900
23 HA SER 6 HA SER 6 17.166 -5.514 11.917
24 HB2 SER 6 1HB SER 6 14.365 -6.418 12.419
25 HB3 SER 6 2HB SER 6 15.506 -7.579 11.741
26 HG SER 6 HG SER 6 16.292 -6.057 13.954
27 H GLY 7 H GLY 7 14.166 -5.249 10.023
28 HA2 GLY 7 1HA GLY 7 14.161 -4.950 7.662
29 HA3 GLY 7 2HA GLY 7 15.758 -5.681 7.595
30 H THR 8 H THR 8 12.353 -6.232 7.559
31 HA THR 8 HA THR 8 12.629 -9.124 7.642
32 HB THR 8 HB THR 8 10.141 -9.100 7.258
33 HG1 THR 8 HG1 THR 8 9.877 -7.099 6.275
34 HG21 THR 8 3HG2 THR 8 10.879 -7.364 9.597
35 HG22 THR 8 1HG2 THR 8 11.334 -9.065 9.528
36 HG23 THR 8 2HG2 THR 8 9.632 -8.606 9.496
37 H GLY 9 H GLY 9 14.068 -8.073 5.538
38 HA2 GLY 9 1HA GLY 9 14.385 -8.283 3.274
39 HA3 GLY 9 2HA GLY 9 13.220 -9.596 3.372
40 H GLU 10 H GLU 10 11.627 -9.367 1.965
41 HA GLU 10 HA GLU 10 10.420 -6.715 1.620
42 HB2 GLU 10 1HB GLU 10 10.251 -7.089 -0.812
43 HB3 GLU 10 2HB GLU 10 11.919 -6.995 -0.268
44 HG2 GLU 10 1HG GLU 10 11.730 -9.593 -0.156
45 HG3 GLU 10 2HG GLU 10 10.382 -9.342 -1.265
46 H ASN 11 H ASN 11 8.231 -6.748 0.875
47 HA ASN 11 HA ASN 11 6.873 -9.316 0.768
48 HB2 ASN 11 1HB ASN 11 6.606 -7.373 3.015
49 HB3 ASN 11 2HB ASN 11 5.152 -8.198 2.461
50 HD21 ASN 11 1HD2 ASN 11 8.226 -8.534 4.012
51 HD22 ASN 11 2HD2 ASN 11 8.000 -10.153 4.572
52 HA PRO 12 HA PRO 12 4.466 -7.156 -2.217
53 HB2 PRO 12 1HB PRO 12 2.289 -8.777 -2.275
54 HB3 PRO 12 2HB PRO 12 3.841 -9.227 -2.992
55 HG2 PRO 12 1HG PRO 12 2.679 -10.010 -0.347
56 HG3 PRO 12 2HG PRO 12 3.537 -11.011 -1.532
57 HD2 PRO 12 1HD PRO 12 4.738 -10.033 0.689
58 HD3 PRO 12 2HD PRO 12 5.610 -10.280 -0.838
59 H TYR 13 H TYR 13 3.693 -7.329 1.036
60 HA TYR 13 HA TYR 13 1.498 -5.406 0.672
61 HB2 TYR 13 1HB TYR 13 1.540 -7.429 2.908
62 HB3 TYR 13 2HB TYR 13 0.213 -6.383 2.416
63 HD1 TYR 13 HD2 TYR 13 -0.162 -6.752 -0.354
64 HD2 TYR 13 HD1 TYR 13 1.061 -9.645 2.516
65 HE1 TYR 13 HE2 TYR 13 -1.044 -8.542 -1.792
66 HE2 TYR 13 HE1 TYR 13 0.184 -11.443 1.086
67 HH TYR 13 HH TYR 13 -0.378 -11.857 -1.215
68 H GLU 14 H GLU 14 3.611 -4.108 0.909
69 HA GLU 14 HA GLU 14 4.137 -3.634 3.769
70 HB2 GLU 14 1HB GLU 14 6.109 -4.397 2.485
71 HB3 GLU 14 2HB GLU 14 5.928 -3.015 1.413
72 HG2 GLU 14 1HG GLU 14 6.177 -2.512 4.329
73 HG3 GLU 14 2HG GLU 14 7.616 -2.992 3.430
74 H CYS 15 H CYS 15 3.558 -1.732 4.592
75 HA CYS 15 HA CYS 15 2.193 0.191 2.993
76 HB2 CYS 15 1HB CYS 15 1.599 -0.274 5.351
77 HB3 CYS 15 2HB CYS 15 3.137 0.416 5.858
78 H CYS 16 H CYS 16 3.008 1.840 1.892
79 HA CYS 16 HA CYS 16 5.808 2.575 2.316
80 HB2 CYS 16 1HB CYS 16 4.737 1.994 0.016
81 HB3 CYS 16 2HB CYS 16 4.087 3.628 0.091
82 H GLU 17 H GLU 17 3.478 3.423 4.025
83 HA GLU 17 HA GLU 17 3.715 6.337 3.672
84 HB2 GLU 17 1HB GLU 17 1.601 4.776 5.167
85 HB3 GLU 17 2HB GLU 17 1.649 6.523 4.981
86 HG2 GLU 17 1HG GLU 17 1.593 4.754 2.577
87 HG3 GLU 17 2HG GLU 17 0.109 5.119 3.456
88 H CYS 18 H CYS 18 3.893 3.700 6.004
89 HA CYS 18 HA CYS 18 5.349 5.506 7.820
90 HB2 CYS 18 1HB CYS 18 4.360 4.429 9.732
91 HB3 CYS 18 2HB CYS 18 3.061 4.947 8.663
92 H GLY 19 H GLY 19 4.810 2.132 6.849
93 HA2 GLY 19 1HA GLY 19 6.857 0.905 6.184
94 HA3 GLY 19 2HA GLY 19 7.611 1.582 7.620
95 H LYS 20 H LYS 20 4.702 -0.295 6.761
96 HA LYS 20 HA LYS 20 5.384 -2.175 8.908
97 HB2 LYS 20 1HB LYS 20 2.838 -0.643 8.568
98 HB3 LYS 20 2HB LYS 20 2.771 -2.272 9.227
99 HG2 LYS 20 1HG LYS 20 4.255 -1.635 11.033
100 HG3 LYS 20 2HG LYS 20 4.416 -0.014 10.353
101 HD2 LYS 20 1HD LYS 20 2.178 0.526 10.838
102 HD3 LYS 20 2HD LYS 20 1.743 -1.163 11.110
103 HE2 LYS 20 1HE LYS 20 2.879 -1.231 13.170
104 HE3 LYS 20 2HE LYS 20 3.751 0.263 12.831
105 HZ1 LYS 20 3HZ LYS 20 1.748 1.510 13.077
106 HZ2 LYS 20 1HZ LYS 20 1.906 0.516 14.437
107 HZ3 LYS 20 2HZ LYS 20 0.812 0.107 13.213
108 H VAL 21 H VAL 21 5.504 -4.159 8.113
109 HA VAL 21 HA VAL 21 4.320 -4.772 5.534
110 HB VAL 21 HB VAL 21 5.906 -6.653 7.275
111 HG11 VAL 21 1HG1 VAL 21 5.270 -6.537 4.335
112 HG12 VAL 21 2HG1 VAL 21 6.517 -7.586 5.014
113 HG13 VAL 21 3HG1 VAL 21 4.832 -7.793 5.493
114 HG21 VAL 21 3HG2 VAL 21 7.570 -5.147 7.088
115 HG22 VAL 21 1HG2 VAL 21 7.697 -5.769 5.442
116 HG23 VAL 21 2HG2 VAL 21 6.786 -4.293 5.759
117 H PHE 22 H PHE 22 3.025 -6.671 5.172
118 HA PHE 22 HA PHE 22 1.575 -7.639 7.536
119 HB2 PHE 22 1HB PHE 22 0.383 -6.549 4.987
120 HB3 PHE 22 2HB PHE 22 -0.525 -7.569 6.098
121 HD1 PHE 22 HD2 PHE 22 1.090 -4.304 5.651
122 HD2 PHE 22 HD1 PHE 22 -1.319 -6.728 8.189
123 HE1 PHE 22 HE2 PHE 22 0.503 -2.321 6.983
124 HE2 PHE 22 HE1 PHE 22 -1.910 -4.748 9.524
125 HZ PHE 22 HZ PHE 22 -0.998 -2.541 8.923
126 H SER 23 H SER 23 0.008 -9.495 6.731
127 HA SER 23 HA SER 23 1.704 -11.339 5.196
128 HB2 SER 23 1HB SER 23 0.637 -13.139 6.359
129 HB3 SER 23 2HB SER 23 1.045 -11.923 7.568
130 HG SER 23 HG SER 23 -1.106 -11.235 7.534
131 H ARG 24 H ARG 24 -1.115 -9.511 4.971
132 HA ARG 24 HA ARG 24 -1.795 -10.743 2.447
133 HB2 ARG 24 1HB ARG 24 -3.844 -10.623 4.667
134 HB3 ARG 24 2HB ARG 24 -4.147 -11.125 3.009
135 HG2 ARG 24 1HG ARG 24 -2.628 -13.023 3.314
136 HG3 ARG 24 2HG ARG 24 -2.360 -12.526 4.985
137 HD2 ARG 24 1HD ARG 24 -4.973 -12.643 5.115
138 HD3 ARG 24 2HD ARG 24 -4.792 -13.699 3.716
139 HE ARG 24 HE ARG 24 -3.897 -15.317 5.083
140 HH11 ARG 24 1HH1 ARG 24 -4.084 -12.297 6.803
141 HH12 ARG 24 2HH1 ARG 24 -3.704 -12.999 8.341
142 HH21 ARG 24 1HH2 ARG 24 -3.395 -16.254 7.101
143 HH22 ARG 24 2HH2 ARG 24 -3.311 -15.249 8.509
144 H LYS 25 H LYS 25 -2.397 -9.224 1.039
145 HA LYS 25 HA LYS 25 -2.221 -6.560 1.364
146 HB2 LYS 25 1HB LYS 25 -2.560 -7.500 -0.823
147 HB3 LYS 25 2HB LYS 25 -4.172 -8.054 -0.392
148 HG2 LYS 25 1HG LYS 25 -4.695 -6.187 -1.584
149 HG3 LYS 25 2HG LYS 25 -4.580 -5.491 0.034
150 HD2 LYS 25 1HD LYS 25 -3.274 -4.006 -1.108
151 HD3 LYS 25 2HD LYS 25 -2.044 -5.196 -0.675
152 HE2 LYS 25 1HE LYS 25 -3.565 -5.256 -3.273
153 HE3 LYS 25 2HE LYS 25 -2.026 -4.420 -3.074
154 HZ1 LYS 25 3HZ LYS 25 -1.162 -6.641 -2.247
155 HZ2 LYS 25 1HZ LYS 25 -1.479 -6.516 -3.905
156 HZ3 LYS 25 2HZ LYS 25 -2.570 -7.320 -2.893
157 H ASP 26 H ASP 26 -5.140 -8.474 1.971
158 HA ASP 26 HA ASP 26 -6.975 -6.500 2.487
159 HB2 ASP 26 1HB ASP 26 -6.617 -9.123 3.953
160 HB3 ASP 26 2HB ASP 26 -8.059 -8.114 4.040
161 H GLN 27 H GLN 27 -4.704 -7.936 4.823
162 HA GLN 27 HA GLN 27 -5.458 -6.310 6.997
163 HB2 GLN 27 1HB GLN 27 -2.774 -7.611 6.511
164 HB3 GLN 27 2HB GLN 27 -3.408 -7.071 8.059
165 HG2 GLN 27 1HG GLN 27 -4.270 -9.401 6.389
166 HG3 GLN 27 2HG GLN 27 -3.713 -9.381 8.061
167 HE21 GLN 27 1HE2 GLN 27 -6.343 -9.789 6.201
168 HE22 GLN 27 2HE2 GLN 27 -7.581 -9.310 7.307
169 H LEU 28 H LEU 28 -3.660 -5.626 4.191
170 HA LEU 28 HA LEU 28 -2.180 -3.422 5.368
171 HB2 LEU 28 1HB LEU 28 -1.174 -4.823 3.613
172 HB3 LEU 28 2HB LEU 28 -2.426 -4.293 2.491
173 HG LEU 28 HG LEU 28 -1.457 -1.906 3.103
174 HD11 LEU 28 1HD1 LEU 28 0.999 -2.033 3.339
175 HD12 LEU 28 2HD1 LEU 28 0.858 -3.772 3.597
176 HD13 LEU 28 3HD1 LEU 28 0.136 -2.649 4.749
177 HD21 LEU 28 3HD2 LEU 28 0.179 -3.582 1.243
178 HD22 LEU 28 1HD2 LEU 28 -0.387 -1.923 1.052
179 HD23 LEU 28 2HD2 LEU 28 -1.521 -3.265 0.896
180 H VAL 29 H VAL 29 -4.881 -3.920 3.138
181 HA VAL 29 HA VAL 29 -5.316 -1.259 2.407
182 HB VAL 29 HB VAL 29 -7.328 -3.491 2.710
183 HG11 VAL 29 1HG1 VAL 29 -8.426 -1.312 2.732
184 HG12 VAL 29 2HG1 VAL 29 -7.580 -0.863 1.250
185 HG13 VAL 29 3HG1 VAL 29 -8.760 -2.174 1.231
186 HG21 VAL 29 3HG2 VAL 29 -5.775 -4.180 1.102
187 HG22 VAL 29 1HG2 VAL 29 -7.078 -3.458 0.158
188 HG23 VAL 29 2HG2 VAL 29 -5.592 -2.553 0.448
189 H SER 30 H SER 30 -6.664 -3.134 5.104
190 HA SER 30 HA SER 30 -8.279 -1.028 6.108
191 HB2 SER 30 1HB SER 30 -7.206 -3.501 7.486
192 HB3 SER 30 2HB SER 30 -8.445 -2.435 8.149
193 HG SER 30 HG SER 30 -9.007 -4.456 6.811
194 H HIS 31 H HIS 31 -4.935 -1.627 6.232
195 HA HIS 31 HA HIS 31 -4.499 -0.111 8.673
196 HB2 HIS 31 1HB HIS 31 -2.974 -1.881 8.480
197 HB3 HIS 31 2HB HIS 31 -2.706 -1.586 6.764
198 HD1 HIS 31 HD1 HIS 31 -2.048 0.223 10.051
199 HD2 HIS 31 HD2 HIS 31 -0.386 -0.293 6.279
200 HE1 HIS 31 HE1 HIS 31 0.142 1.457 10.107
201 H GLN 32 H GLN 32 -3.743 0.190 5.211
202 HA GLN 32 HA GLN 32 -2.481 2.673 5.307
203 HB2 GLN 32 1HB GLN 32 -4.036 1.259 3.159
204 HB3 GLN 32 2HB GLN 32 -3.366 2.862 2.888
205 HG2 GLN 32 1HG GLN 32 -1.136 1.858 3.619
206 HG3 GLN 32 2HG GLN 32 -1.918 0.292 3.405
207 HE21 GLN 32 1HE2 GLN 32 -0.022 0.231 1.853
208 HE22 GLN 32 2HE2 GLN 32 -0.341 0.738 0.232
209 H LYS 33 H LYS 33 -5.773 1.861 5.753
210 HA LYS 33 HA LYS 33 -7.048 4.203 4.892
211 HB2 LYS 33 1HB LYS 33 -7.713 2.129 6.961
212 HB3 LYS 33 2HB LYS 33 -8.738 3.543 6.749
213 HG2 LYS 33 1HG LYS 33 -8.799 2.868 4.270
214 HG3 LYS 33 2HG LYS 33 -8.196 1.308 4.834
215 HD2 LYS 33 1HD LYS 33 -10.607 2.579 6.086
216 HD3 LYS 33 2HD LYS 33 -10.745 1.639 4.598
217 HE2 LYS 33 1HE LYS 33 -10.138 -0.336 5.636
218 HE3 LYS 33 2HE LYS 33 -9.301 0.492 6.949
219 HZ1 LYS 33 3HZ LYS 33 -12.245 0.528 6.578
220 HZ2 LYS 33 1HZ LYS 33 -11.378 1.119 7.904
221 HZ3 LYS 33 2HZ LYS 33 -11.435 -0.544 7.605
222 H THR 34 H THR 34 -5.193 3.500 7.752
223 HA THR 34 HA THR 34 -6.080 5.742 9.280
224 HB THR 34 HB THR 34 -5.002 3.678 10.245
225 HG1 THR 34 HG1 THR 34 -5.112 5.329 11.665
226 HG21 THR 34 3HG2 THR 34 -2.933 3.070 9.677
227 HG22 THR 34 1HG2 THR 34 -2.303 4.669 10.070
228 HG23 THR 34 2HG2 THR 34 -2.947 4.345 8.460
229 H HIS 35 H HIS 35 -3.842 5.323 6.712
230 HA HIS 35 HA HIS 35 -2.388 7.771 7.323
231 HB2 HIS 35 1HB HIS 35 -2.120 5.806 5.039
232 HB3 HIS 35 2HB HIS 35 -1.088 7.213 5.275
233 HD1 HIS 35 HD1 HIS 35 -0.374 7.040 8.188
234 HD2 HIS 35 HD2 HIS 35 -0.568 3.702 5.722
235 HE1 HIS 35 HE1 HIS 35 1.066 5.302 9.296
236 H SER 36 H SER 36 -5.271 7.784 6.656
237 HA SER 36 HA SER 36 -5.119 9.651 4.389
238 HB2 SER 36 1HB SER 36 -6.103 7.599 3.534
239 HB3 SER 36 2HB SER 36 -7.264 7.567 4.861
240 HG SER 36 HG SER 36 -7.142 9.822 3.197
241 H GLY 37 H GLY 37 -6.733 11.316 4.382
242 HA2 GLY 37 1HA GLY 37 -8.662 12.332 5.503
243 HA3 GLY 37 2HA GLY 37 -8.000 11.736 7.018
244 H GLN 38 H GLN 38 -5.799 12.603 7.591
245 HA GLN 38 HA GLN 38 -5.714 15.467 6.925
246 HB2 GLN 38 1HB GLN 38 -5.152 13.922 9.406
247 HB3 GLN 38 2HB GLN 38 -4.198 15.371 9.115
248 HG2 GLN 38 1HG GLN 38 -7.159 15.524 8.871
249 HG3 GLN 38 2HG GLN 38 -6.430 15.471 10.475
250 HE21 GLN 38 1HE2 GLN 38 -5.444 17.248 11.270
251 HE22 GLN 38 2HE2 GLN 38 -5.342 18.758 10.437
252 H SER 39 H SER 39 -4.544 13.558 5.195
253 HA SER 39 HA SER 39 -1.685 13.609 5.720
254 HB2 SER 39 1HB SER 39 -3.207 12.512 3.343
255 HB3 SER 39 2HB SER 39 -1.493 12.267 3.676
256 HG SER 39 HG SER 39 -3.697 11.041 4.772
257 H GLY 40 H GLY 40 -1.294 15.859 5.621
258 HA2 GLY 40 1HA GLY 40 -0.739 16.802 2.956
259 HA3 GLY 40 2HA GLY 40 -2.024 17.697 3.754
260 HA PRO 41 HA PRO 41 2.390 19.067 5.029
261 HB2 PRO 41 1HB PRO 41 2.740 21.150 3.324
262 HB3 PRO 41 2HB PRO 41 3.276 19.507 2.955
263 HG2 PRO 41 1HG PRO 41 0.805 20.940 2.059
264 HG3 PRO 41 2HG PRO 41 1.901 19.906 1.123
265 HD2 PRO 41 1HD PRO 41 -0.468 19.019 2.091
266 HD3 PRO 41 2HD PRO 41 0.949 17.963 1.918
267 H SER 42 H SER 42 2.948 21.514 5.526
268 HA SER 42 HA SER 42 2.415 23.149 7.050
269 HB2 SER 42 1HB SER 42 1.881 24.156 4.841
270 HB3 SER 42 2HB SER 42 0.212 23.617 5.026
271 HG SER 42 HG SER 42 1.420 25.801 6.045
272 H SER 43 H SER 43 1.374 20.714 7.889
273 HA SER 43 HA SER 43 -1.395 20.946 8.571
274 HB2 SER 43 1HB SER 43 -0.094 18.776 8.320
275 HB3 SER 43 2HB SER 43 0.631 19.131 9.888
276 HG SER 43 HG SER 43 -1.407 19.049 10.816
277 H GLY 44 H GLY 44 -2.251 21.107 10.736
278 HA2 GLY 44 1HA GLY 44 -1.210 21.575 13.117
279 HA3 GLY 44 2HA GLY 44 -0.761 23.069 12.309
Start of MODEL 10
1 H1 GLY 1 H GLY 1 38.106 -4.016 0.591
2 HA2 GLY 1 1HA GLY 1 37.398 -4.067 3.460
3 HA3 GLY 1 2HA GLY 1 36.563 -3.081 2.269
4 H SER 2 H SER 2 34.813 -4.382 3.532
5 HA SER 2 HA SER 2 34.178 -6.741 1.891
6 HB2 SER 2 1HB SER 2 34.930 -7.273 4.287
7 HB3 SER 2 2HB SER 2 33.412 -6.539 4.802
8 HG SER 2 HG SER 2 33.301 -8.468 2.791
9 H SER 3 H SER 3 31.958 -7.114 1.506
10 HA SER 3 HA SER 3 30.300 -4.709 1.853
11 HB2 SER 3 1HB SER 3 29.932 -6.936 -0.163
12 HB3 SER 3 2HB SER 3 29.078 -5.393 -0.119
13 HG SER 3 HG SER 3 31.745 -5.934 -0.826
14 H GLY 4 H GLY 4 28.080 -4.935 2.393
15 HA2 GLY 4 1HA GLY 4 27.406 -7.524 3.649
16 HA3 GLY 4 2HA GLY 4 27.082 -5.992 4.448
17 H SER 5 H SER 5 25.282 -8.195 3.573
18 HA SER 5 HA SER 5 23.215 -6.522 2.480
19 HB2 SER 5 1HB SER 5 24.516 -8.656 0.816
20 HB3 SER 5 2HB SER 5 22.805 -8.287 0.599
21 HG SER 5 HG SER 5 24.705 -7.057 -0.561
22 H SER 6 H SER 6 21.343 -7.105 3.360
23 HA SER 6 HA SER 6 20.720 -9.883 3.880
24 HB2 SER 6 1HB SER 6 20.974 -7.891 6.145
25 HB3 SER 6 2HB SER 6 20.234 -9.485 6.291
26 HG SER 6 HG SER 6 22.912 -8.991 5.488
27 H GLY 7 H GLY 7 18.537 -10.276 4.001
28 HA2 GLY 7 1HA GLY 7 16.828 -7.972 3.371
29 HA3 GLY 7 2HA GLY 7 16.448 -9.655 3.036
30 H THR 8 H THR 8 14.873 -7.588 4.415
31 HA THR 8 HA THR 8 14.536 -8.972 6.996
32 HB THR 8 HB THR 8 13.696 -6.868 7.954
33 HG1 THR 8 HG1 THR 8 13.107 -5.401 6.551
34 HG21 THR 8 3HG2 THR 8 15.941 -7.170 8.470
35 HG22 THR 8 1HG2 THR 8 15.934 -5.568 7.734
36 HG23 THR 8 2HG2 THR 8 16.457 -6.967 6.796
37 H GLY 9 H GLY 9 12.985 -10.389 6.114
38 HA2 GLY 9 1HA GLY 9 10.889 -11.068 5.458
39 HA3 GLY 9 2HA GLY 9 10.331 -9.695 6.402
40 H GLU 10 H GLU 10 10.909 -10.952 3.242
41 HA GLU 10 HA GLU 10 10.216 -8.409 1.978
42 HB2 GLU 10 1HB GLU 10 12.109 -9.768 1.091
43 HB3 GLU 10 2HB GLU 10 10.961 -11.036 0.684
44 HG2 GLU 10 1HG GLU 10 9.765 -9.200 -0.676
45 HG3 GLU 10 2HG GLU 10 11.291 -8.329 -0.538
46 H ASN 11 H ASN 11 8.080 -8.041 2.059
47 HA ASN 11 HA ASN 11 6.293 -10.190 1.125
48 HB2 ASN 11 1HB ASN 11 5.814 -8.080 3.232
49 HB3 ASN 11 2HB ASN 11 4.518 -9.035 2.518
50 HD21 ASN 11 1HD2 ASN 11 7.087 -8.959 4.770
51 HD22 ASN 11 2HD2 ASN 11 6.883 -10.554 5.402
52 HA PRO 12 HA PRO 12 5.113 -7.483 -2.138
53 HB2 PRO 12 1HB PRO 12 2.679 -8.537 -2.718
54 HB3 PRO 12 2HB PRO 12 4.197 -9.335 -3.143
55 HG2 PRO 12 1HG PRO 12 2.370 -9.849 -0.828
56 HG3 PRO 12 2HG PRO 12 3.196 -11.013 -1.881
57 HD2 PRO 12 1HD PRO 12 4.110 -10.375 0.587
58 HD3 PRO 12 2HD PRO 12 5.195 -10.806 -0.751
59 H TYR 13 H TYR 13 3.594 -7.566 0.871
60 HA TYR 13 HA TYR 13 1.957 -5.216 0.175
61 HB2 TYR 13 1HB TYR 13 1.332 -7.076 2.461
62 HB3 TYR 13 2HB TYR 13 0.286 -5.873 1.714
63 HD1 TYR 13 HD2 TYR 13 0.165 -6.355 -1.022
64 HD2 TYR 13 HD1 TYR 13 0.655 -9.236 2.070
65 HE1 TYR 13 HE2 TYR 13 -0.782 -8.085 -2.492
66 HE2 TYR 13 HE1 TYR 13 -0.289 -10.975 0.608
67 HH TYR 13 HH TYR 13 -1.317 -10.225 -2.711
68 H GLU 14 H GLU 14 3.422 -3.655 0.741
69 HA GLU 14 HA GLU 14 4.024 -3.469 3.609
70 HB2 GLU 14 1HB GLU 14 6.081 -4.218 2.633
71 HB3 GLU 14 2HB GLU 14 5.958 -3.042 1.332
72 HG2 GLU 14 1HG GLU 14 6.051 -2.033 4.120
73 HG3 GLU 14 2HG GLU 14 7.534 -2.667 3.410
74 H CYS 15 H CYS 15 3.284 -1.634 4.427
75 HA CYS 15 HA CYS 15 2.187 0.418 2.801
76 HB2 CYS 15 1HB CYS 15 1.336 -0.151 5.061
77 HB3 CYS 15 2HB CYS 15 2.822 0.486 5.758
78 H CYS 16 H CYS 16 3.029 2.284 2.086
79 HA CYS 16 HA CYS 16 5.862 2.774 2.603
80 HB2 CYS 16 1HB CYS 16 3.998 4.031 0.578
81 HB3 CYS 16 2HB CYS 16 5.733 4.308 0.684
82 H GLU 17 H GLU 17 2.752 4.022 3.377
83 HA GLU 17 HA GLU 17 3.304 6.711 3.848
84 HB2 GLU 17 1HB GLU 17 1.433 4.906 5.393
85 HB3 GLU 17 2HB GLU 17 1.395 6.663 5.395
86 HG2 GLU 17 1HG GLU 17 1.095 5.092 2.863
87 HG3 GLU 17 2HG GLU 17 -0.277 5.426 3.918
88 H CYS 18 H CYS 18 3.389 4.013 6.180
89 HA CYS 18 HA CYS 18 5.047 5.684 7.941
90 HB2 CYS 18 1HB CYS 18 4.415 4.106 9.732
91 HB3 CYS 18 2HB CYS 18 3.008 4.857 8.987
92 H GLY 19 H GLY 19 4.788 2.391 6.627
93 HA2 GLY 19 1HA GLY 19 6.919 1.545 5.638
94 HA3 GLY 19 2HA GLY 19 7.685 2.083 7.126
95 H LYS 20 H LYS 20 4.543 0.546 7.051
96 HA LYS 20 HA LYS 20 5.640 -1.650 8.643
97 HB2 LYS 20 1HB LYS 20 3.520 -0.167 9.194
98 HB3 LYS 20 2HB LYS 20 2.714 -1.322 8.140
99 HG2 LYS 20 1HG LYS 20 3.472 -3.155 9.566
100 HG3 LYS 20 2HG LYS 20 4.279 -1.995 10.624
101 HD2 LYS 20 1HD LYS 20 2.244 -1.080 11.354
102 HD3 LYS 20 2HD LYS 20 1.342 -1.804 10.020
103 HE2 LYS 20 1HE LYS 20 2.695 -3.384 12.201
104 HE3 LYS 20 2HE LYS 20 0.997 -2.911 12.235
105 HZ1 LYS 20 3HZ LYS 20 0.690 -4.865 11.218
106 HZ2 LYS 20 1HZ LYS 20 2.301 -4.994 10.718
107 HZ3 LYS 20 2HZ LYS 20 1.209 -4.065 9.820
108 H VAL 21 H VAL 21 4.864 -3.850 8.245
109 HA VAL 21 HA VAL 21 4.294 -4.338 5.394
110 HB VAL 21 HB VAL 21 6.005 -6.080 7.172
111 HG11 VAL 21 1HG1 VAL 21 5.124 -6.242 4.314
112 HG12 VAL 21 2HG1 VAL 21 6.630 -6.997 4.839
113 HG13 VAL 21 3HG1 VAL 21 5.098 -7.488 5.562
114 HG21 VAL 21 3HG2 VAL 21 7.308 -4.169 6.816
115 HG22 VAL 21 1HG2 VAL 21 7.825 -5.286 5.552
116 HG23 VAL 21 2HG2 VAL 21 6.721 -3.965 5.165
117 H PHE 22 H PHE 22 3.240 -6.412 4.945
118 HA PHE 22 HA PHE 22 1.831 -7.634 7.186
119 HB2 PHE 22 1HB PHE 22 0.362 -6.494 4.799
120 HB3 PHE 22 2HB PHE 22 -0.360 -7.376 6.140
121 HD1 PHE 22 HD2 PHE 22 1.674 -4.337 5.439
122 HD2 PHE 22 HD1 PHE 22 -1.238 -6.205 7.919
123 HE1 PHE 22 HE2 PHE 22 1.357 -2.221 6.653
124 HE2 PHE 22 HE1 PHE 22 -1.561 -4.091 9.137
125 HZ PHE 22 HZ PHE 22 -0.262 -2.096 8.505
126 H SER 23 H SER 23 0.499 -9.542 6.407
127 HA SER 23 HA SER 23 2.140 -11.062 4.542
128 HB2 SER 23 1HB SER 23 -0.068 -11.873 6.442
129 HB3 SER 23 2HB SER 23 0.736 -12.998 5.348
130 HG SER 23 HG SER 23 2.358 -13.068 6.673
131 H ARG 24 H ARG 24 -1.225 -10.049 4.954
132 HA ARG 24 HA ARG 24 -1.694 -10.750 2.130
133 HB2 ARG 24 1HB ARG 24 -3.706 -10.803 4.388
134 HB3 ARG 24 2HB ARG 24 -4.041 -11.176 2.703
135 HG2 ARG 24 1HG ARG 24 -2.670 -13.132 2.792
136 HG3 ARG 24 2HG ARG 24 -2.096 -12.712 4.407
137 HD2 ARG 24 1HD ARG 24 -3.751 -14.392 4.678
138 HD3 ARG 24 2HD ARG 24 -4.479 -12.868 5.183
139 HE ARG 24 HE ARG 24 -5.086 -13.231 2.494
140 HH11 ARG 24 1HH1 ARG 24 -5.745 -14.768 5.547
141 HH12 ARG 24 2HH1 ARG 24 -7.284 -15.390 5.050
142 HH21 ARG 24 1HH2 ARG 24 -7.111 -14.044 1.827
143 HH22 ARG 24 2HH2 ARG 24 -8.059 -14.979 2.934
144 H LYS 25 H LYS 25 -2.275 -9.126 0.844
145 HA LYS 25 HA LYS 25 -2.122 -6.499 1.341
146 HB2 LYS 25 1HB LYS 25 -2.734 -7.767 -0.850
147 HB3 LYS 25 2HB LYS 25 -4.396 -7.440 -0.377
148 HG2 LYS 25 1HG LYS 25 -4.144 -5.143 -0.611
149 HG3 LYS 25 2HG LYS 25 -2.383 -5.231 -0.524
150 HD2 LYS 25 1HD LYS 25 -2.810 -4.843 -2.786
151 HD3 LYS 25 2HD LYS 25 -2.550 -6.587 -2.703
152 HE2 LYS 25 1HE LYS 25 -5.125 -6.697 -2.402
153 HE3 LYS 25 2HE LYS 25 -5.102 -5.064 -3.067
154 HZ1 LYS 25 3HZ LYS 25 -3.589 -6.281 -4.846
155 HZ2 LYS 25 1HZ LYS 25 -5.274 -6.224 -4.984
156 HZ3 LYS 25 2HZ LYS 25 -4.523 -7.608 -4.368
157 H ASP 26 H ASP 26 -5.091 -8.406 1.762
158 HA ASP 26 HA ASP 26 -6.927 -6.547 2.449
159 HB2 ASP 26 1HB ASP 26 -7.291 -9.015 2.453
160 HB3 ASP 26 2HB ASP 26 -6.484 -9.095 4.017
161 H GLN 27 H GLN 27 -4.639 -7.989 4.774
162 HA GLN 27 HA GLN 27 -5.352 -6.428 6.972
163 HB2 GLN 27 1HB GLN 27 -2.615 -7.543 6.341
164 HB3 GLN 27 2HB GLN 27 -3.201 -7.062 7.928
165 HG2 GLN 27 1HG GLN 27 -4.016 -9.415 6.265
166 HG3 GLN 27 2HG GLN 27 -3.362 -9.389 7.902
167 HE21 GLN 27 1HE2 GLN 27 -5.927 -10.380 6.547
168 HE22 GLN 27 2HE2 GLN 27 -7.177 -9.814 7.597
169 H LEU 28 H LEU 28 -3.287 -5.726 4.248
170 HA LEU 28 HA LEU 28 -2.055 -3.415 5.390
171 HB2 LEU 28 1HB LEU 28 -1.056 -4.720 3.553
172 HB3 LEU 28 2HB LEU 28 -2.363 -4.195 2.494
173 HG LEU 28 HG LEU 28 -1.447 -1.798 3.202
174 HD11 LEU 28 1HD1 LEU 28 0.859 -3.681 3.595
175 HD12 LEU 28 2HD1 LEU 28 0.282 -2.406 4.668
176 HD13 LEU 28 3HD1 LEU 28 1.088 -1.988 3.156
177 HD21 LEU 28 3HD2 LEU 28 -1.671 -2.543 0.924
178 HD22 LEU 28 1HD2 LEU 28 -0.274 -3.606 1.093
179 HD23 LEU 28 2HD2 LEU 28 -0.062 -1.856 1.147
180 H VAL 29 H VAL 29 -4.671 -3.894 3.027
181 HA VAL 29 HA VAL 29 -5.299 -1.296 2.423
182 HB VAL 29 HB VAL 29 -7.269 -3.538 2.893
183 HG11 VAL 29 1HG1 VAL 29 -8.486 -2.120 1.048
184 HG12 VAL 29 2HG1 VAL 29 -8.648 -1.709 2.757
185 HG13 VAL 29 3HG1 VAL 29 -7.530 -0.806 1.734
186 HG21 VAL 29 3HG2 VAL 29 -5.888 -4.380 1.253
187 HG22 VAL 29 1HG2 VAL 29 -7.088 -3.523 0.284
188 HG23 VAL 29 2HG2 VAL 29 -5.516 -2.786 0.597
189 H SER 30 H SER 30 -6.785 -3.191 5.058
190 HA SER 30 HA SER 30 -8.327 -1.194 6.177
191 HB2 SER 30 1HB SER 30 -8.502 -3.518 6.891
192 HB3 SER 30 2HB SER 30 -6.883 -3.452 7.588
193 HG SER 30 HG SER 30 -8.850 -3.101 8.997
194 H HIS 31 H HIS 31 -4.931 -1.971 6.815
195 HA HIS 31 HA HIS 31 -4.524 -0.106 8.880
196 HB2 HIS 31 1HB HIS 31 -2.848 -1.719 8.702
197 HB3 HIS 31 2HB HIS 31 -2.706 -1.522 6.958
198 HD1 HIS 31 HD1 HIS 31 -1.948 0.457 10.115
199 HD2 HIS 31 HD2 HIS 31 -0.610 0.022 6.206
200 HE1 HIS 31 HE1 HIS 31 0.109 1.895 9.944
201 H GLN 32 H GLN 32 -3.492 0.136 5.470
202 HA GLN 32 HA GLN 32 -2.523 2.623 5.309
203 HB2 GLN 32 1HB GLN 32 -4.508 1.384 3.397
204 HB3 GLN 32 2HB GLN 32 -3.548 2.812 3.035
205 HG2 GLN 32 1HG GLN 32 -1.503 1.423 3.445
206 HG3 GLN 32 2HG GLN 32 -2.563 0.017 3.531
207 HE21 GLN 32 1HE2 GLN 32 -0.491 0.328 1.668
208 HE22 GLN 32 2HE2 GLN 32 -1.190 0.419 0.091
209 H LYS 33 H LYS 33 -5.860 1.815 5.908
210 HA LYS 33 HA LYS 33 -7.187 4.146 5.330
211 HB2 LYS 33 1HB LYS 33 -7.594 2.412 7.774
212 HB3 LYS 33 2HB LYS 33 -8.763 3.551 7.119
213 HG2 LYS 33 1HG LYS 33 -7.723 1.101 5.711
214 HG3 LYS 33 2HG LYS 33 -9.293 1.253 6.502
215 HD2 LYS 33 1HD LYS 33 -9.909 1.725 4.355
216 HD3 LYS 33 2HD LYS 33 -9.487 3.352 4.897
217 HE2 LYS 33 1HE LYS 33 -8.300 3.291 2.953
218 HE3 LYS 33 2HE LYS 33 -7.091 2.615 4.044
219 HZ1 LYS 33 3HZ LYS 33 -7.890 0.383 3.380
220 HZ2 LYS 33 1HZ LYS 33 -7.209 1.260 2.103
221 HZ3 LYS 33 2HZ LYS 33 -8.890 1.111 2.225
222 H THR 34 H THR 34 -5.506 3.372 8.372
223 HA THR 34 HA THR 34 -5.982 5.611 9.846
224 HB THR 34 HB THR 34 -4.633 3.764 10.697
225 HG1 THR 34 HG1 THR 34 -3.993 5.268 12.034
226 HG21 THR 34 3HG2 THR 34 -2.070 4.584 9.640
227 HG22 THR 34 1HG2 THR 34 -3.165 4.099 8.347
228 HG23 THR 34 2HG2 THR 34 -2.812 2.984 9.667
229 H HIS 35 H HIS 35 -4.070 5.376 6.963
230 HA HIS 35 HA HIS 35 -2.924 8.032 7.346
231 HB2 HIS 35 1HB HIS 35 -2.580 6.112 5.034
232 HB3 HIS 35 2HB HIS 35 -1.645 7.576 5.324
233 HD1 HIS 35 HD1 HIS 35 -0.708 7.350 8.115
234 HD2 HIS 35 HD2 HIS 35 -0.978 4.030 5.632
235 HE1 HIS 35 HE1 HIS 35 0.859 5.646 9.097
236 H SER 36 H SER 36 -5.718 7.974 7.146
237 HA SER 36 HA SER 36 -6.138 9.244 4.519
238 HB2 SER 36 1HB SER 36 -7.405 7.136 4.735
239 HB3 SER 36 2HB SER 36 -8.184 7.760 6.189
240 HG SER 36 HG SER 36 -9.219 9.291 4.968
241 H GLY 37 H GLY 37 -6.681 11.325 4.561
242 HA2 GLY 37 1HA GLY 37 -8.191 12.410 6.803
243 HA3 GLY 37 2HA GLY 37 -6.570 13.054 6.585
244 H GLN 38 H GLN 38 -7.558 15.127 6.259
245 HA GLN 38 HA GLN 38 -8.632 15.437 3.535
246 HB2 GLN 38 1HB GLN 38 -10.405 15.806 5.183
247 HB3 GLN 38 2HB GLN 38 -9.412 17.006 5.998
248 HG2 GLN 38 1HG GLN 38 -9.441 18.356 3.911
249 HG3 GLN 38 2HG GLN 38 -10.581 17.194 3.234
250 HE21 GLN 38 1HE2 GLN 38 -11.520 19.594 3.215
251 HE22 GLN 38 2HE2 GLN 38 -12.639 19.898 4.495
252 H SER 39 H SER 39 -7.884 17.151 2.329
253 HA SER 39 HA SER 39 -5.795 18.821 3.559
254 HB2 SER 39 1HB SER 39 -5.661 17.567 0.806
255 HB3 SER 39 2HB SER 39 -4.446 18.625 1.524
256 HG SER 39 HG SER 39 -5.195 16.020 2.348
257 H GLY 40 H GLY 40 -5.529 20.906 2.675
258 HA2 GLY 40 1HA GLY 40 -7.923 21.859 1.254
259 HA3 GLY 40 2HA GLY 40 -6.864 22.848 2.249
260 HA PRO 41 HA PRO 41 -5.852 23.394 -2.299
261 HB2 PRO 41 1HB PRO 41 -6.277 26.075 -2.367
262 HB3 PRO 41 2HB PRO 41 -7.554 24.892 -2.674
263 HG2 PRO 41 1HG PRO 41 -6.943 26.413 -0.169
264 HG3 PRO 41 2HG PRO 41 -8.514 26.080 -0.920
265 HD2 PRO 41 1HD PRO 41 -7.581 24.666 1.192
266 HD3 PRO 41 2HD PRO 41 -8.616 23.945 -0.057
267 H SER 42 H SER 42 -4.765 24.410 0.727
268 HA SER 42 HA SER 42 -2.584 26.054 -0.215
269 HB2 SER 42 1HB SER 42 -3.242 24.952 2.526
270 HB3 SER 42 2HB SER 42 -1.886 26.028 2.190
271 HG SER 42 HG SER 42 -3.736 27.355 1.180
272 H SER 43 H SER 43 -0.618 25.382 -0.774
273 HA SER 43 HA SER 43 0.026 22.712 -1.182
274 HB2 SER 43 1HB SER 43 2.345 23.495 -1.522
275 HB3 SER 43 2HB SER 43 1.179 24.539 -2.335
276 HG SER 43 HG SER 43 2.965 25.483 -0.933
277 H GLY 44 H GLY 44 1.129 24.868 1.434
278 HA2 GLY 44 1HA GLY 44 0.920 23.479 3.643
279 HA3 GLY 44 2HA GLY 44 2.183 22.536 2.866
Start of MODEL 11
1 H1 GLY 1 H GLY 1 37.442 -9.695 10.383
2 HA2 GLY 1 1HA GLY 1 35.230 -9.026 9.248
3 HA3 GLY 1 2HA GLY 1 35.188 -10.466 10.255
4 H SER 2 H SER 2 33.282 -10.457 11.258
5 HA SER 2 HA SER 2 31.511 -9.796 12.526
6 HB2 SER 2 1HB SER 2 33.621 -9.277 14.019
7 HB3 SER 2 2HB SER 2 33.147 -7.602 13.741
8 HG SER 2 HG SER 2 31.804 -9.633 15.124
9 H SER 3 H SER 3 31.575 -8.711 9.976
10 HA SER 3 HA SER 3 29.958 -6.344 10.378
11 HB2 SER 3 1HB SER 3 31.211 -4.942 8.820
12 HB3 SER 3 2HB SER 3 32.247 -5.424 10.162
13 HG SER 3 HG SER 3 32.894 -5.660 7.734
14 H GLY 4 H GLY 4 29.123 -5.550 8.159
15 HA2 GLY 4 1HA GLY 4 28.468 -6.077 5.936
16 HA3 GLY 4 2HA GLY 4 28.903 -7.754 6.235
17 H SER 5 H SER 5 26.378 -6.176 5.364
18 HA SER 5 HA SER 5 24.544 -7.761 7.021
19 HB2 SER 5 1HB SER 5 24.627 -5.263 7.654
20 HB3 SER 5 2HB SER 5 23.817 -4.981 6.113
21 HG SER 5 HG SER 5 22.877 -6.262 8.418
22 H SER 6 H SER 6 22.559 -8.327 5.992
23 HA SER 6 HA SER 6 22.195 -7.713 3.191
24 HB2 SER 6 1HB SER 6 23.843 -9.579 3.159
25 HB3 SER 6 2HB SER 6 22.683 -10.581 4.030
26 HG SER 6 HG SER 6 22.756 -10.724 1.627
27 H GLY 7 H GLY 7 20.215 -8.834 2.316
28 HA2 GLY 7 1HA GLY 7 18.345 -9.927 4.205
29 HA3 GLY 7 2HA GLY 7 17.971 -8.267 3.765
30 H THR 8 H THR 8 16.605 -10.897 3.245
31 HA THR 8 HA THR 8 16.039 -10.378 0.438
32 HB THR 8 HB THR 8 17.792 -12.105 0.359
33 HG1 THR 8 HG1 THR 8 16.462 -12.417 -1.313
34 HG21 THR 8 3HG2 THR 8 17.054 -14.428 1.172
35 HG22 THR 8 1HG2 THR 8 15.893 -13.561 2.177
36 HG23 THR 8 2HG2 THR 8 17.622 -13.277 2.382
37 H GLY 9 H GLY 9 14.087 -11.527 -0.312
38 HA2 GLY 9 1HA GLY 9 12.079 -12.728 0.137
39 HA3 GLY 9 2HA GLY 9 12.348 -12.476 1.855
40 H GLU 10 H GLU 10 12.189 -10.269 -0.940
41 HA GLU 10 HA GLU 10 11.069 -8.113 0.329
42 HB2 GLU 10 1HB GLU 10 10.187 -7.433 -1.881
43 HB3 GLU 10 2HB GLU 10 11.858 -7.974 -1.955
44 HG2 GLU 10 1HG GLU 10 11.091 -10.163 -2.770
45 HG3 GLU 10 2HG GLU 10 9.432 -9.567 -2.752
46 H ASN 11 H ASN 11 9.188 -7.694 1.277
47 HA ASN 11 HA ASN 11 7.131 -9.675 1.383
48 HB2 ASN 11 1HB ASN 11 6.823 -6.842 2.351
49 HB3 ASN 11 2HB ASN 11 6.097 -8.309 2.999
50 HD21 ASN 11 1HD2 ASN 11 9.024 -6.427 2.753
51 HD22 ASN 11 2HD2 ASN 11 9.842 -7.165 4.084
52 HA PRO 12 HA PRO 12 4.647 -8.394 -2.018
53 HB2 PRO 12 1HB PRO 12 2.250 -9.369 -1.195
54 HB3 PRO 12 2HB PRO 12 3.557 -10.403 -1.784
55 HG2 PRO 12 1HG PRO 12 2.752 -9.789 1.033
56 HG3 PRO 12 2HG PRO 12 3.211 -11.344 0.314
57 HD2 PRO 12 1HD PRO 12 4.924 -9.863 1.799
58 HD3 PRO 12 2HD PRO 12 5.466 -10.885 0.452
59 H TYR 13 H TYR 13 3.661 -7.597 1.268
60 HA TYR 13 HA TYR 13 2.445 -5.126 0.234
61 HB2 TYR 13 1HB TYR 13 1.342 -6.546 2.646
62 HB3 TYR 13 2HB TYR 13 0.586 -5.293 1.666
63 HD1 TYR 13 HD2 TYR 13 -0.059 -5.903 -0.738
64 HD2 TYR 13 HD1 TYR 13 0.914 -8.805 2.218
65 HE1 TYR 13 HE2 TYR 13 -1.215 -7.627 -2.058
66 HE2 TYR 13 HE1 TYR 13 -0.239 -10.537 0.906
67 HH TYR 13 HH TYR 13 -1.107 -10.146 -2.292
68 H GLU 14 H GLU 14 3.732 -3.534 0.883
69 HA GLU 14 HA GLU 14 4.507 -3.434 3.711
70 HB2 GLU 14 1HB GLU 14 6.449 -4.263 2.454
71 HB3 GLU 14 2HB GLU 14 6.365 -2.862 1.395
72 HG2 GLU 14 1HG GLU 14 7.032 -1.395 3.100
73 HG3 GLU 14 2HG GLU 14 6.733 -2.593 4.358
74 H CYS 15 H CYS 15 3.727 -1.632 4.559
75 HA CYS 15 HA CYS 15 2.748 0.518 2.973
76 HB2 CYS 15 1HB CYS 15 1.685 -0.024 5.085
77 HB3 CYS 15 2HB CYS 15 3.183 0.285 5.957
78 H CYS 16 H CYS 16 3.603 2.492 2.537
79 HA CYS 16 HA CYS 16 6.429 2.870 3.248
80 HB2 CYS 16 1HB CYS 16 6.386 4.532 1.334
81 HB3 CYS 16 2HB CYS 16 6.159 2.845 0.885
82 H GLU 17 H GLU 17 3.277 4.122 3.731
83 HA GLU 17 HA GLU 17 3.798 6.821 4.228
84 HB2 GLU 17 1HB GLU 17 1.705 4.896 5.161
85 HB3 GLU 17 2HB GLU 17 1.789 6.494 5.891
86 HG2 GLU 17 1HG GLU 17 1.407 5.882 2.970
87 HG3 GLU 17 2HG GLU 17 0.181 6.470 4.091
88 H CYS 18 H CYS 18 3.936 4.023 6.399
89 HA CYS 18 HA CYS 18 5.436 5.690 8.309
90 HB2 CYS 18 1HB CYS 18 4.471 4.367 10.137
91 HB3 CYS 18 2HB CYS 18 3.213 5.172 9.205
92 H GLY 19 H GLY 19 4.874 2.391 7.122
93 HA2 GLY 19 1HA GLY 19 6.900 1.185 6.379
94 HA3 GLY 19 2HA GLY 19 7.674 1.777 7.842
95 H LYS 20 H LYS 20 4.891 -0.166 6.779
96 HA LYS 20 HA LYS 20 5.531 -2.107 8.870
97 HB2 LYS 20 1HB LYS 20 2.995 -0.553 8.626
98 HB3 LYS 20 2HB LYS 20 2.894 -2.235 9.132
99 HG2 LYS 20 1HG LYS 20 4.616 -1.642 10.906
100 HG3 LYS 20 2HG LYS 20 4.282 0.044 10.504
101 HD2 LYS 20 1HD LYS 20 2.842 -0.380 12.284
102 HD3 LYS 20 2HD LYS 20 1.808 -0.589 10.869
103 HE2 LYS 20 1HE LYS 20 1.828 -2.919 11.056
104 HE3 LYS 20 2HE LYS 20 3.249 -2.914 12.099
105 HZ1 LYS 20 3HZ LYS 20 1.987 -2.138 13.907
106 HZ2 LYS 20 1HZ LYS 20 1.056 -3.368 13.212
107 HZ3 LYS 20 2HZ LYS 20 0.659 -1.747 12.935
108 H VAL 21 H VAL 21 5.359 -4.157 8.188
109 HA VAL 21 HA VAL 21 4.370 -4.612 5.478
110 HB VAL 21 HB VAL 21 5.823 -6.554 7.277
111 HG11 VAL 21 1HG1 VAL 21 6.379 -7.623 5.075
112 HG12 VAL 21 2HG1 VAL 21 4.676 -7.702 5.533
113 HG13 VAL 21 3HG1 VAL 21 5.213 -6.531 4.327
114 HG21 VAL 21 3HG2 VAL 21 7.169 -4.535 6.874
115 HG22 VAL 21 1HG2 VAL 21 7.851 -5.956 6.083
116 HG23 VAL 21 2HG2 VAL 21 6.966 -4.759 5.137
117 H PHE 22 H PHE 22 3.072 -6.526 5.015
118 HA PHE 22 HA PHE 22 1.454 -7.490 7.258
119 HB2 PHE 22 1HB PHE 22 0.317 -6.345 4.699
120 HB3 PHE 22 2HB PHE 22 -0.619 -7.157 5.949
121 HD1 PHE 22 HD2 PHE 22 1.624 -4.249 5.389
122 HD2 PHE 22 HD1 PHE 22 -1.517 -5.943 7.708
123 HE1 PHE 22 HE2 PHE 22 1.333 -2.103 6.556
124 HE2 PHE 22 HE1 PHE 22 -1.814 -3.799 8.878
125 HZ PHE 22 HZ PHE 22 -0.387 -1.876 8.303
126 H SER 23 H SER 23 0.244 -9.439 6.770
127 HA SER 23 HA SER 23 1.755 -11.188 5.029
128 HB2 SER 23 1HB SER 23 0.432 -12.988 6.024
129 HB3 SER 23 2HB SER 23 1.070 -11.934 7.286
130 HG SER 23 HG SER 23 -1.418 -12.606 6.938
131 H ARG 24 H ARG 24 -1.590 -10.039 5.305
132 HA ARG 24 HA ARG 24 -2.008 -10.866 2.508
133 HB2 ARG 24 1HB ARG 24 -4.062 -10.866 4.728
134 HB3 ARG 24 2HB ARG 24 -4.364 -11.292 3.049
135 HG2 ARG 24 1HG ARG 24 -3.103 -13.267 3.209
136 HG3 ARG 24 2HG ARG 24 -2.362 -12.763 4.730
137 HD2 ARG 24 1HD ARG 24 -4.759 -12.770 5.659
138 HD3 ARG 24 2HD ARG 24 -5.163 -13.707 4.221
139 HE ARG 24 HE ARG 24 -3.711 -14.613 6.528
140 HH11 ARG 24 1HH1 ARG 24 -4.282 -15.110 3.130
141 HH12 ARG 24 2HH1 ARG 24 -3.812 -16.777 3.162
142 HH21 ARG 24 1HH2 ARG 24 -3.089 -16.807 6.582
143 HH22 ARG 24 2HH2 ARG 24 -3.134 -17.742 5.126
144 H LYS 25 H LYS 25 -2.746 -9.347 1.147
145 HA LYS 25 HA LYS 25 -2.550 -6.694 1.482
146 HB2 LYS 25 1HB LYS 25 -3.058 -7.576 -0.683
147 HB3 LYS 25 2HB LYS 25 -4.616 -8.182 -0.138
148 HG2 LYS 25 1HG LYS 25 -5.016 -6.241 -1.442
149 HG3 LYS 25 2HG LYS 25 -5.314 -5.814 0.245
150 HD2 LYS 25 1HD LYS 25 -4.044 -4.021 -0.376
151 HD3 LYS 25 2HD LYS 25 -2.759 -5.119 0.135
152 HE2 LYS 25 1HE LYS 25 -2.693 -5.888 -2.300
153 HE3 LYS 25 2HE LYS 25 -3.664 -4.459 -2.654
154 HZ1 LYS 25 3HZ LYS 25 -1.198 -4.139 -1.097
155 HZ2 LYS 25 1HZ LYS 25 -1.950 -3.056 -2.158
156 HZ3 LYS 25 2HZ LYS 25 -1.076 -4.368 -2.769
157 H ASP 26 H ASP 26 -5.505 -8.547 2.171
158 HA ASP 26 HA ASP 26 -7.292 -6.651 2.857
159 HB2 ASP 26 1HB ASP 26 -7.613 -9.133 3.051
160 HB3 ASP 26 2HB ASP 26 -6.763 -9.069 4.592
161 H GLN 27 H GLN 27 -4.904 -7.962 5.161
162 HA GLN 27 HA GLN 27 -5.473 -6.261 7.283
163 HB2 GLN 27 1HB GLN 27 -2.739 -7.336 6.581
164 HB3 GLN 27 2HB GLN 27 -3.310 -6.854 8.173
165 HG2 GLN 27 1HG GLN 27 -5.123 -8.700 7.722
166 HG3 GLN 27 2HG GLN 27 -3.903 -9.307 6.604
167 HE21 GLN 27 1HE2 GLN 27 -4.046 -11.150 8.131
168 HE22 GLN 27 2HE2 GLN 27 -3.017 -11.128 9.518
169 H LEU 28 H LEU 28 -3.466 -5.753 4.449
170 HA LEU 28 HA LEU 28 -2.211 -3.373 5.342
171 HB2 LEU 28 1HB LEU 28 -1.373 -4.769 3.492
172 HB3 LEU 28 2HB LEU 28 -2.763 -4.288 2.523
173 HG LEU 28 HG LEU 28 -1.798 -1.866 3.014
174 HD11 LEU 28 1HD1 LEU 28 0.052 -2.212 4.324
175 HD12 LEU 28 2HD1 LEU 28 0.779 -2.210 2.717
176 HD13 LEU 28 3HD1 LEU 28 0.461 -3.737 3.539
177 HD21 LEU 28 3HD2 LEU 28 -0.460 -2.123 0.890
178 HD22 LEU 28 1HD2 LEU 28 -2.147 -2.632 0.802
179 HD23 LEU 28 2HD2 LEU 28 -0.868 -3.839 0.940
180 H VAL 29 H VAL 29 -5.060 -3.971 3.307
181 HA VAL 29 HA VAL 29 -5.719 -1.390 2.609
182 HB VAL 29 HB VAL 29 -7.622 -3.620 3.342
183 HG11 VAL 29 1HG1 VAL 29 -8.114 -1.130 1.711
184 HG12 VAL 29 2HG1 VAL 29 -9.271 -2.431 2.002
185 HG13 VAL 29 3HG1 VAL 29 -8.718 -1.426 3.341
186 HG21 VAL 29 3HG2 VAL 29 -6.565 -4.551 1.569
187 HG22 VAL 29 1HG2 VAL 29 -7.665 -3.513 0.662
188 HG23 VAL 29 2HG2 VAL 29 -6.003 -2.999 0.949
189 H SER 30 H SER 30 -6.930 -3.156 5.465
190 HA SER 30 HA SER 30 -8.390 -1.117 6.621
191 HB2 SER 30 1HB SER 30 -8.306 -2.350 8.653
192 HB3 SER 30 2HB SER 30 -8.223 -3.550 7.364
193 HG SER 30 HG SER 30 -6.568 -4.155 8.572
194 H HIS 31 H HIS 31 -4.932 -1.648 6.636
195 HA HIS 31 HA HIS 31 -4.361 0.299 8.656
196 HB2 HIS 31 1HB HIS 31 -2.822 -1.557 8.209
197 HB3 HIS 31 2HB HIS 31 -2.553 -0.952 6.577
198 HD1 HIS 31 HD1 HIS 31 -2.192 0.420 10.116
199 HD2 HIS 31 HD2 HIS 31 -0.301 0.521 6.417
200 HE1 HIS 31 HE1 HIS 31 -0.119 1.801 10.458
201 H GLN 32 H GLN 32 -3.885 0.250 5.121
202 HA GLN 32 HA GLN 32 -2.979 2.855 4.820
203 HB2 GLN 32 1HB GLN 32 -4.625 1.159 2.938
204 HB3 GLN 32 2HB GLN 32 -3.865 2.678 2.481
205 HG2 GLN 32 1HG GLN 32 -1.669 1.676 3.135
206 HG3 GLN 32 2HG GLN 32 -2.506 0.137 3.334
207 HE21 GLN 32 1HE2 GLN 32 -0.588 -0.055 1.641
208 HE22 GLN 32 2HE2 GLN 32 -1.113 -0.003 -0.004
209 H LYS 33 H LYS 33 -6.115 1.719 5.609
210 HA LYS 33 HA LYS 33 -7.708 3.807 4.619
211 HB2 LYS 33 1HB LYS 33 -8.011 1.878 6.903
212 HB3 LYS 33 2HB LYS 33 -9.207 3.138 6.628
213 HG2 LYS 33 1HG LYS 33 -9.706 2.271 4.448
214 HG3 LYS 33 2HG LYS 33 -8.390 1.100 4.568
215 HD2 LYS 33 1HD LYS 33 -10.147 -0.237 5.158
216 HD3 LYS 33 2HD LYS 33 -9.706 0.386 6.750
217 HE2 LYS 33 1HE LYS 33 -11.763 1.720 5.010
218 HE3 LYS 33 2HE LYS 33 -12.177 0.422 6.130
219 HZ1 LYS 33 3HZ LYS 33 -12.484 2.160 7.512
220 HZ2 LYS 33 1HZ LYS 33 -11.419 3.177 6.680
221 HZ3 LYS 33 2HZ LYS 33 -10.815 2.012 7.747
222 H THR 34 H THR 34 -5.735 3.534 7.500
223 HA THR 34 HA THR 34 -6.677 6.131 8.467
224 HB THR 34 HB THR 34 -6.357 4.097 10.004
225 HG1 THR 34 HG1 THR 34 -6.657 6.029 11.005
226 HG21 THR 34 3HG2 THR 34 -3.603 4.806 10.554
227 HG22 THR 34 1HG2 THR 34 -3.793 4.162 8.924
228 HG23 THR 34 2HG2 THR 34 -4.328 3.216 10.313
229 H HIS 35 H HIS 35 -5.103 5.983 6.051
230 HA HIS 35 HA HIS 35 -2.772 7.548 6.935
231 HB2 HIS 35 1HB HIS 35 -2.897 5.260 5.034
232 HB3 HIS 35 2HB HIS 35 -1.816 6.592 4.632
233 HD1 HIS 35 HD1 HIS 35 -0.119 7.232 6.733
234 HD2 HIS 35 HD2 HIS 35 -1.750 3.412 6.635
235 HE1 HIS 35 HE1 HIS 35 1.352 5.834 8.219
236 H SER 36 H SER 36 -2.147 9.265 5.580
237 HA SER 36 HA SER 36 -4.220 10.084 3.652
238 HB2 SER 36 1HB SER 36 -3.641 12.411 4.198
239 HB3 SER 36 2HB SER 36 -4.136 11.528 5.642
240 HG SER 36 HG SER 36 -2.081 12.899 5.606
241 H GLY 37 H GLY 37 -3.320 9.309 1.779
242 HA2 GLY 37 1HA GLY 37 -0.583 9.484 1.104
243 HA3 GLY 37 2HA GLY 37 -1.903 9.211 -0.025
244 H GLN 38 H GLN 38 0.390 10.750 -0.600
245 HA GLN 38 HA GLN 38 -0.538 13.522 -0.507
246 HB2 GLN 38 1HB GLN 38 1.852 12.823 0.074
247 HB3 GLN 38 2HB GLN 38 2.074 12.549 -1.649
248 HG2 GLN 38 1HG GLN 38 2.891 14.687 -1.348
249 HG3 GLN 38 2HG GLN 38 1.249 14.967 -1.925
250 HE21 GLN 38 1HE2 GLN 38 3.491 15.773 0.377
251 HE22 GLN 38 2HE2 GLN 38 2.440 16.485 1.549
252 H SER 39 H SER 39 0.540 11.092 -2.863
253 HA SER 39 HA SER 39 -0.706 12.699 -4.990
254 HB2 SER 39 1HB SER 39 1.804 11.945 -5.044
255 HB3 SER 39 2HB SER 39 1.132 10.393 -5.544
256 HG SER 39 HG SER 39 1.297 11.360 -7.437
257 H GLY 40 H GLY 40 -2.428 11.278 -3.391
258 HA2 GLY 40 1HA GLY 40 -2.996 8.656 -4.242
259 HA3 GLY 40 2HA GLY 40 -4.137 9.749 -3.473
260 HA PRO 41 HA PRO 41 -4.819 9.158 -8.207
261 HB2 PRO 41 1HB PRO 41 -6.420 6.965 -8.245
262 HB3 PRO 41 2HB PRO 41 -4.662 6.874 -8.408
263 HG2 PRO 41 1HG PRO 41 -6.366 6.413 -5.990
264 HG3 PRO 41 2HG PRO 41 -4.970 5.484 -6.570
265 HD2 PRO 41 1HD PRO 41 -4.786 7.289 -4.560
266 HD3 PRO 41 2HD PRO 41 -3.452 6.977 -5.688
267 H SER 42 H SER 42 -6.073 11.018 -7.991
268 HA SER 42 HA SER 42 -8.929 10.530 -7.726
269 HB2 SER 42 1HB SER 42 -9.242 12.434 -6.180
270 HB3 SER 42 2HB SER 42 -8.277 11.150 -5.451
271 HG SER 42 HG SER 42 -6.421 12.469 -6.278
272 H SER 43 H SER 43 -10.073 11.670 -9.168
273 HA SER 43 HA SER 43 -9.030 14.168 -10.237
274 HB2 SER 43 1HB SER 43 -9.318 13.395 -12.587
275 HB3 SER 43 2HB SER 43 -8.033 12.537 -11.737
276 HG SER 43 HG SER 43 -10.011 11.048 -11.260
277 H GLY 44 H GLY 44 -10.676 15.528 -10.039
278 HA2 GLY 44 1HA GLY 44 -12.815 16.365 -9.988
279 HA3 GLY 44 2HA GLY 44 -13.077 15.350 -11.399
Start of MODEL 12
1 H1 GLY 1 H GLY 1 27.997 -0.251 0.398
2 HA2 GLY 1 1HA GLY 1 26.689 1.843 0.958
3 HA3 GLY 1 2HA GLY 1 26.420 1.954 -0.775
4 H SER 2 H SER 2 24.694 1.472 1.739
5 HA SER 2 HA SER 2 23.486 -1.095 1.145
6 HB2 SER 2 1HB SER 2 22.153 -0.757 3.085
7 HB3 SER 2 2HB SER 2 23.749 -0.124 3.487
8 HG SER 2 HG SER 2 21.374 1.276 2.911
9 H SER 3 H SER 3 21.014 -1.135 1.029
10 HA SER 3 HA SER 3 20.228 0.642 -1.145
11 HB2 SER 3 1HB SER 3 18.784 -1.770 -0.019
12 HB3 SER 3 2HB SER 3 18.389 -0.917 -1.511
13 HG SER 3 HG SER 3 19.652 -2.824 -1.849
14 H GLY 4 H GLY 4 18.860 -0.515 1.940
15 HA2 GLY 4 1HA GLY 4 17.628 2.117 2.305
16 HA3 GLY 4 2HA GLY 4 16.571 0.713 2.303
17 H SER 5 H SER 5 16.456 2.181 4.497
18 HA SER 5 HA SER 5 18.362 1.286 6.478
19 HB2 SER 5 1HB SER 5 15.796 2.830 6.908
20 HB3 SER 5 2HB SER 5 17.153 2.694 8.025
21 HG SER 5 HG SER 5 17.032 4.066 5.557
22 H SER 6 H SER 6 17.148 -0.893 5.331
23 HA SER 6 HA SER 6 16.113 -2.239 7.612
24 HB2 SER 6 1HB SER 6 13.876 -2.726 6.853
25 HB3 SER 6 2HB SER 6 14.083 -0.974 6.853
26 HG SER 6 HG SER 6 14.790 -1.543 4.503
27 H GLY 7 H GLY 7 16.843 -4.252 7.466
28 HA2 GLY 7 1HA GLY 7 16.952 -5.532 4.818
29 HA3 GLY 7 2HA GLY 7 18.393 -5.501 5.823
30 H THR 8 H THR 8 14.964 -6.446 5.975
31 HA THR 8 HA THR 8 15.799 -8.806 7.533
32 HB THR 8 HB THR 8 14.574 -7.405 9.035
33 HG1 THR 8 HG1 THR 8 13.832 -9.373 9.477
34 HG21 THR 8 3HG2 THR 8 13.309 -5.852 7.972
35 HG22 THR 8 1HG2 THR 8 12.033 -7.042 8.222
36 HG23 THR 8 2HG2 THR 8 12.863 -6.953 6.669
37 H GLY 9 H GLY 9 14.486 -7.714 4.671
38 HA2 GLY 9 1HA GLY 9 14.182 -9.832 3.201
39 HA3 GLY 9 2HA GLY 9 12.826 -10.108 4.283
40 H GLU 10 H GLU 10 11.713 -10.074 2.123
41 HA GLU 10 HA GLU 10 10.779 -7.342 1.604
42 HB2 GLU 10 1HB GLU 10 11.933 -9.269 -0.352
43 HB3 GLU 10 2HB GLU 10 10.575 -8.284 -0.876
44 HG2 GLU 10 1HG GLU 10 11.824 -6.263 -0.260
45 HG3 GLU 10 2HG GLU 10 13.193 -7.269 0.206
46 H ASN 11 H ASN 11 8.647 -7.211 1.784
47 HA ASN 11 HA ASN 11 7.067 -9.682 1.553
48 HB2 ASN 11 1HB ASN 11 6.701 -7.170 3.164
49 HB3 ASN 11 2HB ASN 11 5.331 -8.222 2.817
50 HD21 ASN 11 1HD2 ASN 11 4.897 -9.574 4.386
51 HD22 ASN 11 2HD2 ASN 11 6.041 -10.301 5.458
52 HA PRO 12 HA PRO 12 4.954 -8.178 -1.991
53 HB2 PRO 12 1HB PRO 12 2.518 -9.328 -1.651
54 HB3 PRO 12 2HB PRO 12 3.957 -10.244 -2.115
55 HG2 PRO 12 1HG PRO 12 2.691 -9.941 0.581
56 HG3 PRO 12 2HG PRO 12 3.344 -11.398 -0.191
57 HD2 PRO 12 1HD PRO 12 4.719 -9.997 1.674
58 HD3 PRO 12 2HD PRO 12 5.520 -10.860 0.346
59 H TYR 13 H TYR 13 3.757 -7.517 1.190
60 HA TYR 13 HA TYR 13 2.300 -5.191 0.129
61 HB2 TYR 13 1HB TYR 13 1.382 -6.771 2.531
62 HB3 TYR 13 2HB TYR 13 0.517 -5.490 1.688
63 HD1 TYR 13 HD2 TYR 13 -0.472 -5.924 -0.539
64 HD2 TYR 13 HD1 TYR 13 1.328 -9.029 1.746
65 HE1 TYR 13 HE2 TYR 13 -1.592 -7.601 -1.946
66 HE2 TYR 13 HE1 TYR 13 0.214 -10.715 0.344
67 HH TYR 13 HH TYR 13 -2.090 -10.614 -1.175
68 H GLU 14 H GLU 14 3.512 -3.506 0.709
69 HA GLU 14 HA GLU 14 4.343 -3.315 3.525
70 HB2 GLU 14 1HB GLU 14 6.283 -3.836 2.061
71 HB3 GLU 14 2HB GLU 14 5.961 -2.363 1.156
72 HG2 GLU 14 1HG GLU 14 6.561 -0.991 2.955
73 HG3 GLU 14 2HG GLU 14 6.469 -2.320 4.109
74 H CYS 15 H CYS 15 3.866 -1.443 4.521
75 HA CYS 15 HA CYS 15 2.369 0.542 3.013
76 HB2 CYS 15 1HB CYS 15 1.533 -0.331 5.196
77 HB3 CYS 15 2HB CYS 15 2.917 0.418 5.985
78 H CYS 16 H CYS 16 4.299 1.261 1.836
79 HA CYS 16 HA CYS 16 6.604 2.317 2.821
80 HB2 CYS 16 1HB CYS 16 5.831 2.192 0.395
81 HB3 CYS 16 2HB CYS 16 5.012 3.725 0.679
82 H GLU 17 H GLU 17 3.420 3.829 2.821
83 HA GLU 17 HA GLU 17 3.847 6.410 3.424
84 HB2 GLU 17 1HB GLU 17 1.941 4.537 4.834
85 HB3 GLU 17 2HB GLU 17 1.883 6.288 4.981
86 HG2 GLU 17 1HG GLU 17 1.317 6.555 2.701
87 HG3 GLU 17 2HG GLU 17 1.683 4.868 2.343
88 H CYS 18 H CYS 18 3.719 3.930 5.990
89 HA CYS 18 HA CYS 18 5.373 5.696 7.661
90 HB2 CYS 18 1HB CYS 18 4.505 4.483 9.580
91 HB3 CYS 18 2HB CYS 18 3.167 5.053 8.587
92 H GLY 19 H GLY 19 5.030 2.358 6.536
93 HA2 GLY 19 1HA GLY 19 7.192 1.323 5.850
94 HA3 GLY 19 2HA GLY 19 7.820 1.886 7.391
95 H LYS 20 H LYS 20 4.639 0.469 6.870
96 HA LYS 20 HA LYS 20 5.343 -1.645 8.769
97 HB2 LYS 20 1HB LYS 20 2.730 -0.505 7.809
98 HB3 LYS 20 2HB LYS 20 2.795 -2.042 8.662
99 HG2 LYS 20 1HG LYS 20 4.151 0.294 9.893
100 HG3 LYS 20 2HG LYS 20 2.387 0.238 9.922
101 HD2 LYS 20 1HD LYS 20 2.393 -1.831 11.100
102 HD3 LYS 20 2HD LYS 20 4.128 -2.038 10.852
103 HE2 LYS 20 1HE LYS 20 3.858 -1.319 13.089
104 HE3 LYS 20 2HE LYS 20 4.448 0.078 12.189
105 HZ1 LYS 20 3HZ LYS 20 1.588 -0.409 12.816
106 HZ2 LYS 20 1HZ LYS 20 2.255 0.984 12.125
107 HZ3 LYS 20 2HZ LYS 20 2.603 0.586 13.732
108 H VAL 21 H VAL 21 4.026 -3.763 8.311
109 HA VAL 21 HA VAL 21 4.007 -4.437 5.470
110 HB VAL 21 HB VAL 21 5.555 -6.105 7.455
111 HG11 VAL 21 1HG1 VAL 21 6.425 -7.001 5.157
112 HG12 VAL 21 2HG1 VAL 21 4.893 -7.579 5.815
113 HG13 VAL 21 3HG1 VAL 21 4.904 -6.346 4.553
114 HG21 VAL 21 3HG2 VAL 21 6.753 -4.463 5.242
115 HG22 VAL 21 1HG2 VAL 21 6.553 -3.830 6.876
116 HG23 VAL 21 2HG2 VAL 21 7.567 -5.246 6.597
117 H PHE 22 H PHE 22 2.947 -6.477 5.015
118 HA PHE 22 HA PHE 22 1.449 -7.708 7.179
119 HB2 PHE 22 1HB PHE 22 0.087 -6.352 4.843
120 HB3 PHE 22 2HB PHE 22 -0.717 -7.419 5.989
121 HD1 PHE 22 HD2 PHE 22 0.989 -4.175 5.607
122 HD2 PHE 22 HD1 PHE 22 -1.395 -6.648 8.120
123 HE1 PHE 22 HE2 PHE 22 0.561 -2.255 7.084
124 HE2 PHE 22 HE1 PHE 22 -1.828 -4.732 9.601
125 HZ PHE 22 HZ PHE 22 -0.848 -2.532 9.085
126 H SER 23 H SER 23 0.096 -9.566 6.317
127 HA SER 23 HA SER 23 1.732 -11.038 4.403
128 HB2 SER 23 1HB SER 23 -0.279 -11.798 6.488
129 HB3 SER 23 2HB SER 23 0.053 -12.919 5.167
130 HG SER 23 HG SER 23 1.590 -13.484 6.531
131 H ARG 24 H ARG 24 -1.668 -10.152 4.912
132 HA ARG 24 HA ARG 24 -2.149 -10.711 2.059
133 HB2 ARG 24 1HB ARG 24 -4.111 -10.883 4.353
134 HB3 ARG 24 2HB ARG 24 -4.500 -11.147 2.659
135 HG2 ARG 24 1HG ARG 24 -3.129 -13.105 2.581
136 HG3 ARG 24 2HG ARG 24 -2.510 -12.791 4.203
137 HD2 ARG 24 1HD ARG 24 -4.769 -13.086 5.111
138 HD3 ARG 24 2HD ARG 24 -5.372 -13.418 3.488
139 HE ARG 24 HE ARG 24 -3.310 -15.211 3.976
140 HH11 ARG 24 1HH1 ARG 24 -6.461 -14.470 5.257
141 HH12 ARG 24 2HH1 ARG 24 -6.778 -16.094 5.770
142 HH21 ARG 24 1HH2 ARG 24 -3.716 -17.353 4.647
143 HH22 ARG 24 2HH2 ARG 24 -5.215 -17.733 5.424
144 H LYS 25 H LYS 25 -2.797 -9.060 0.833
145 HA LYS 25 HA LYS 25 -2.630 -6.452 1.368
146 HB2 LYS 25 1HB LYS 25 -3.260 -7.491 -0.836
147 HB3 LYS 25 2HB LYS 25 -4.922 -7.557 -0.262
148 HG2 LYS 25 1HG LYS 25 -4.911 -5.617 -1.496
149 HG3 LYS 25 2HG LYS 25 -4.616 -5.012 0.136
150 HD2 LYS 25 1HD LYS 25 -2.321 -4.691 -0.286
151 HD3 LYS 25 2HD LYS 25 -2.371 -5.674 -1.751
152 HE2 LYS 25 1HE LYS 25 -4.035 -3.199 -1.564
153 HE3 LYS 25 2HE LYS 25 -2.312 -3.069 -1.914
154 HZ1 LYS 25 3HZ LYS 25 -2.581 -3.905 -3.966
155 HZ2 LYS 25 1HZ LYS 25 -4.189 -3.416 -3.776
156 HZ3 LYS 25 2HZ LYS 25 -3.756 -5.026 -3.491
157 H ASP 26 H ASP 26 -5.633 -8.305 1.847
158 HA ASP 26 HA ASP 26 -7.384 -6.464 2.717
159 HB2 ASP 26 1HB ASP 26 -6.818 -9.233 3.714
160 HB3 ASP 26 2HB ASP 26 -8.047 -8.255 4.512
161 H GLN 27 H GLN 27 -5.022 -8.016 4.894
162 HA GLN 27 HA GLN 27 -5.585 -6.483 7.154
163 HB2 GLN 27 1HB GLN 27 -2.895 -7.630 6.393
164 HB3 GLN 27 2HB GLN 27 -3.442 -7.220 8.013
165 HG2 GLN 27 1HG GLN 27 -5.356 -8.939 7.409
166 HG3 GLN 27 2HG GLN 27 -4.120 -9.549 6.311
167 HE21 GLN 27 1HE2 GLN 27 -3.814 -11.457 7.399
168 HE22 GLN 27 2HE2 GLN 27 -3.072 -11.546 8.957
169 H LEU 28 H LEU 28 -3.588 -5.797 4.368
170 HA LEU 28 HA LEU 28 -2.250 -3.544 5.494
171 HB2 LEU 28 1HB LEU 28 -1.364 -4.821 3.592
172 HB3 LEU 28 2HB LEU 28 -2.714 -4.268 2.604
173 HG LEU 28 HG LEU 28 -1.735 -1.891 3.282
174 HD11 LEU 28 1HD1 LEU 28 0.068 -2.407 4.628
175 HD12 LEU 28 2HD1 LEU 28 0.828 -2.207 3.049
176 HD13 LEU 28 3HD1 LEU 28 0.509 -3.825 3.675
177 HD21 LEU 28 3HD2 LEU 28 -0.730 -1.796 1.146
178 HD22 LEU 28 1HD2 LEU 28 -2.059 -2.947 1.006
179 HD23 LEU 28 2HD2 LEU 28 -0.399 -3.529 1.141
180 H VAL 29 H VAL 29 -5.000 -3.896 3.266
181 HA VAL 29 HA VAL 29 -5.594 -1.309 2.676
182 HB VAL 29 HB VAL 29 -7.595 -3.447 3.423
183 HG11 VAL 29 1HG1 VAL 29 -8.325 -1.388 1.460
184 HG12 VAL 29 2HG1 VAL 29 -9.278 -2.113 2.756
185 HG13 VAL 29 3HG1 VAL 29 -8.146 -0.809 3.116
186 HG21 VAL 29 3HG2 VAL 29 -5.807 -3.716 1.496
187 HG22 VAL 29 1HG2 VAL 29 -7.475 -4.249 1.286
188 HG23 VAL 29 2HG2 VAL 29 -6.951 -2.704 0.615
189 H SER 30 H SER 30 -6.896 -3.033 5.517
190 HA SER 30 HA SER 30 -8.199 -0.898 6.702
191 HB2 SER 30 1HB SER 30 -8.204 -2.170 8.728
192 HB3 SER 30 2HB SER 30 -8.288 -3.330 7.402
193 HG SER 30 HG SER 30 -5.877 -3.354 7.659
194 H HIS 31 H HIS 31 -4.806 -1.824 6.879
195 HA HIS 31 HA HIS 31 -4.071 0.017 8.905
196 HB2 HIS 31 1HB HIS 31 -2.668 -1.903 8.389
197 HB3 HIS 31 2HB HIS 31 -2.405 -1.304 6.753
198 HD1 HIS 31 HD1 HIS 31 -1.720 -0.195 10.327
199 HD2 HIS 31 HD2 HIS 31 -0.160 0.189 6.495
200 HE1 HIS 31 HE1 HIS 31 0.436 1.069 10.603
201 H GLN 32 H GLN 32 -3.903 0.149 5.361
202 HA GLN 32 HA GLN 32 -2.744 2.731 5.241
203 HB2 GLN 32 1HB GLN 32 -4.233 1.042 3.244
204 HB3 GLN 32 2HB GLN 32 -3.671 2.660 2.847
205 HG2 GLN 32 1HG GLN 32 -1.368 1.840 3.606
206 HG3 GLN 32 2HG GLN 32 -2.059 0.222 3.493
207 HE21 GLN 32 1HE2 GLN 32 -0.292 0.025 1.895
208 HE22 GLN 32 2HE2 GLN 32 -0.621 0.481 0.262
209 H LYS 33 H LYS 33 -5.997 1.586 5.610
210 HA LYS 33 HA LYS 33 -7.411 3.847 4.739
211 HB2 LYS 33 1HB LYS 33 -8.028 1.664 6.712
212 HB3 LYS 33 2HB LYS 33 -9.156 2.987 6.445
213 HG2 LYS 33 1HG LYS 33 -8.794 2.291 3.915
214 HG3 LYS 33 2HG LYS 33 -8.403 0.741 4.664
215 HD2 LYS 33 1HD LYS 33 -10.915 2.288 5.274
216 HD3 LYS 33 2HD LYS 33 -10.817 1.057 4.013
217 HE2 LYS 33 1HE LYS 33 -11.688 -0.002 5.954
218 HE3 LYS 33 2HE LYS 33 -10.019 -0.542 5.777
219 HZ1 LYS 33 3HZ LYS 33 -10.490 1.811 7.438
220 HZ2 LYS 33 1HZ LYS 33 -9.367 0.559 7.628
221 HZ3 LYS 33 2HZ LYS 33 -10.984 0.319 8.064
222 H THR 34 H THR 34 -5.566 3.259 7.600
223 HA THR 34 HA THR 34 -6.663 5.646 8.905
224 HB THR 34 HB THR 34 -6.446 3.537 10.235
225 HG1 THR 34 HG1 THR 34 -5.159 4.713 11.963
226 HG21 THR 34 3HG2 THR 34 -4.555 2.373 9.908
227 HG22 THR 34 1HG2 THR 34 -3.814 3.518 11.024
228 HG23 THR 34 2HG2 THR 34 -3.693 3.779 9.284
229 H HIS 35 H HIS 35 -4.937 5.806 6.558
230 HA HIS 35 HA HIS 35 -2.712 7.314 7.761
231 HB2 HIS 35 1HB HIS 35 -2.684 5.315 5.550
232 HB3 HIS 35 2HB HIS 35 -1.605 6.701 5.421
233 HD1 HIS 35 HD1 HIS 35 -0.165 7.044 7.829
234 HD2 HIS 35 HD2 HIS 35 -1.496 3.246 6.798
235 HE1 HIS 35 HE1 HIS 35 1.263 5.450 9.149
236 H SER 36 H SER 36 -2.046 9.195 6.645
237 HA SER 36 HA SER 36 -2.405 11.152 5.542
238 HB2 SER 36 1HB SER 36 -3.699 9.285 3.540
239 HB3 SER 36 2HB SER 36 -3.322 10.980 3.228
240 HG SER 36 HG SER 36 -1.694 8.815 3.166
241 H GLY 37 H GLY 37 -4.266 10.474 7.552
242 HA2 GLY 37 1HA GLY 37 -6.695 11.776 6.483
243 HA3 GLY 37 2HA GLY 37 -6.773 10.482 7.669
244 H GLN 38 H GLN 38 -7.767 13.245 7.811
245 HA GLN 38 HA GLN 38 -7.851 15.007 9.254
246 HB2 GLN 38 1HB GLN 38 -8.147 12.914 10.745
247 HB3 GLN 38 2HB GLN 38 -6.505 13.244 11.283
248 HG2 GLN 38 1HG GLN 38 -7.128 15.345 12.184
249 HG3 GLN 38 2HG GLN 38 -8.712 15.277 11.414
250 HE21 GLN 38 1HE2 GLN 38 -10.096 13.423 12.094
251 HE22 GLN 38 2HE2 GLN 38 -10.069 12.981 13.764
252 H SER 39 H SER 39 -5.680 15.150 7.581
253 HA SER 39 HA SER 39 -3.388 15.879 9.246
254 HB2 SER 39 1HB SER 39 -3.206 14.481 7.091
255 HB3 SER 39 2HB SER 39 -3.481 15.998 6.235
256 HG SER 39 HG SER 39 -1.656 16.811 7.526
257 H GLY 40 H GLY 40 -5.710 17.500 9.438
258 HA2 GLY 40 1HA GLY 40 -5.347 19.928 9.822
259 HA3 GLY 40 2HA GLY 40 -4.735 19.989 8.176
260 HA PRO 41 HA PRO 41 -9.521 20.446 8.548
261 HB2 PRO 41 1HB PRO 41 -9.781 23.114 8.977
262 HB3 PRO 41 2HB PRO 41 -9.713 21.932 10.290
263 HG2 PRO 41 1HG PRO 41 -7.542 23.685 9.206
264 HG3 PRO 41 2HG PRO 41 -7.939 23.310 10.893
265 HD2 PRO 41 1HD PRO 41 -5.912 22.098 9.568
266 HD3 PRO 41 2HD PRO 41 -6.858 21.275 10.826
267 H SER 42 H SER 42 -6.880 21.757 6.902
268 HA SER 42 HA SER 42 -8.037 23.496 5.059
269 HB2 SER 42 1HB SER 42 -6.092 23.143 3.699
270 HB3 SER 42 2HB SER 42 -5.572 23.060 5.382
271 HG SER 42 HG SER 42 -4.696 21.349 4.164
272 H SER 43 H SER 43 -7.571 19.979 4.847
273 HA SER 43 HA SER 43 -9.615 19.931 2.725
274 HB2 SER 43 1HB SER 43 -7.550 19.396 1.652
275 HB3 SER 43 2HB SER 43 -7.078 18.307 2.957
276 HG SER 43 HG SER 43 -9.309 17.912 1.246
277 H GLY 44 H GLY 44 -10.864 17.940 2.592
278 HA2 GLY 44 1HA GLY 44 -11.181 16.716 5.259
279 HA3 GLY 44 2HA GLY 44 -12.486 16.938 4.102
Start of MODEL 13
1 H1 GLY 1 H GLY 1 27.573 -9.324 7.371
2 HA2 GLY 1 1HA GLY 1 25.314 -10.228 8.429
3 HA3 GLY 1 2HA GLY 1 24.791 -8.632 7.914
4 H SER 2 H SER 2 23.518 -8.955 6.203
5 HA SER 2 HA SER 2 22.812 -9.572 4.130
6 HB2 SER 2 1HB SER 2 25.801 -9.721 3.766
7 HB3 SER 2 2HB SER 2 24.686 -10.073 2.445
8 HG SER 2 HG SER 2 24.072 -8.012 2.385
9 H SER 3 H SER 3 22.677 -11.539 6.078
10 HA SER 3 HA SER 3 23.798 -14.010 5.238
11 HB2 SER 3 1HB SER 3 22.294 -15.028 6.876
12 HB3 SER 3 2HB SER 3 23.050 -13.589 7.559
13 HG SER 3 HG SER 3 20.606 -13.263 6.262
14 H GLY 4 H GLY 4 23.196 -15.313 3.641
15 HA2 GLY 4 1HA GLY 4 21.403 -14.797 1.676
16 HA3 GLY 4 2HA GLY 4 21.832 -16.434 2.149
17 H SER 5 H SER 5 19.411 -13.996 2.182
18 HA SER 5 HA SER 5 17.704 -15.283 4.104
19 HB2 SER 5 1HB SER 5 16.062 -13.592 3.486
20 HB3 SER 5 2HB SER 5 17.639 -12.833 3.700
21 HG SER 5 HG SER 5 16.970 -13.713 1.142
22 H SER 6 H SER 6 17.167 -17.326 3.507
23 HA SER 6 HA SER 6 16.365 -17.966 0.818
24 HB2 SER 6 1HB SER 6 16.007 -20.226 1.681
25 HB3 SER 6 2HB SER 6 17.559 -19.602 2.237
26 HG SER 6 HG SER 6 16.455 -20.562 3.954
27 H GLY 7 H GLY 7 14.396 -17.742 -0.004
28 HA2 GLY 7 1HA GLY 7 11.996 -18.519 0.664
29 HA3 GLY 7 2HA GLY 7 12.165 -17.212 1.827
30 H THR 8 H THR 8 10.151 -16.592 0.560
31 HA THR 8 HA THR 8 10.325 -15.650 -2.084
32 HB THR 8 HB THR 8 8.463 -14.646 0.076
33 HG1 THR 8 HG1 THR 8 7.050 -16.282 -0.890
34 HG21 THR 8 3HG2 THR 8 8.610 -14.322 -2.873
35 HG22 THR 8 1HG2 THR 8 8.046 -13.196 -1.639
36 HG23 THR 8 2HG2 THR 8 7.014 -14.530 -2.154
37 H GLY 9 H GLY 9 10.692 -13.978 1.029
38 HA2 GLY 9 1HA GLY 9 12.374 -12.254 1.251
39 HA3 GLY 9 2HA GLY 9 12.068 -11.810 -0.421
40 H GLU 10 H GLU 10 11.694 -9.646 0.103
41 HA GLU 10 HA GLU 10 10.042 -8.648 2.080
42 HB2 GLU 10 1HB GLU 10 9.834 -6.631 0.699
43 HB3 GLU 10 2HB GLU 10 11.488 -7.227 0.718
44 HG2 GLU 10 1HG GLU 10 10.962 -8.370 -1.474
45 HG3 GLU 10 2HG GLU 10 9.475 -7.423 -1.499
46 H ASN 11 H ASN 11 7.889 -8.339 2.337
47 HA ASN 11 HA ASN 11 6.120 -9.884 0.675
48 HB2 ASN 11 1HB ASN 11 5.664 -8.163 3.116
49 HB3 ASN 11 2HB ASN 11 4.364 -9.006 2.280
50 HD21 ASN 11 1HD2 ASN 11 4.937 -9.470 4.931
51 HD22 ASN 11 2HD2 ASN 11 5.561 -11.071 5.108
52 HA PRO 12 HA PRO 12 4.830 -6.688 -2.063
53 HB2 PRO 12 1HB PRO 12 2.399 -7.672 -2.763
54 HB3 PRO 12 2HB PRO 12 3.918 -8.362 -3.346
55 HG2 PRO 12 1HG PRO 12 2.150 -9.288 -1.114
56 HG3 PRO 12 2HG PRO 12 2.969 -10.244 -2.364
57 HD2 PRO 12 1HD PRO 12 3.930 -10.013 0.157
58 HD3 PRO 12 2HD PRO 12 4.989 -10.194 -1.256
59 H TYR 13 H TYR 13 3.464 -7.236 0.942
60 HA TYR 13 HA TYR 13 1.588 -4.986 0.635
61 HB2 TYR 13 1HB TYR 13 1.530 -6.945 2.917
62 HB3 TYR 13 2HB TYR 13 0.245 -5.886 2.346
63 HD1 TYR 13 HD2 TYR 13 -0.020 -6.392 -0.441
64 HD2 TYR 13 HD1 TYR 13 0.921 -9.152 2.658
65 HE1 TYR 13 HE2 TYR 13 -0.928 -8.225 -1.806
66 HE2 TYR 13 HE1 TYR 13 0.016 -10.993 1.301
67 HH TYR 13 HH TYR 13 -1.254 -10.415 -1.966
68 H GLU 14 H GLU 14 3.477 -3.576 0.862
69 HA GLU 14 HA GLU 14 4.300 -3.293 3.677
70 HB2 GLU 14 1HB GLU 14 6.238 -3.859 2.408
71 HB3 GLU 14 2HB GLU 14 5.823 -2.714 1.140
72 HG2 GLU 14 1HG GLU 14 7.522 -1.644 2.276
73 HG3 GLU 14 2HG GLU 14 6.070 -0.924 2.969
74 H CYS 15 H CYS 15 3.731 -1.473 4.670
75 HA CYS 15 HA CYS 15 2.214 0.520 3.288
76 HB2 CYS 15 1HB CYS 15 1.658 -0.096 5.583
77 HB3 CYS 15 2HB CYS 15 3.243 0.437 6.132
78 H CYS 16 H CYS 16 3.268 1.837 1.930
79 HA CYS 16 HA CYS 16 5.927 2.807 2.542
80 HB2 CYS 16 1HB CYS 16 4.084 2.988 0.189
81 HB3 CYS 16 2HB CYS 16 5.421 4.126 0.324
82 H GLU 17 H GLU 17 3.968 3.620 4.405
83 HA GLU 17 HA GLU 17 3.972 6.526 3.934
84 HB2 GLU 17 1HB GLU 17 1.810 4.880 5.258
85 HB3 GLU 17 2HB GLU 17 1.862 6.637 5.263
86 HG2 GLU 17 1HG GLU 17 1.953 5.196 2.661
87 HG3 GLU 17 2HG GLU 17 0.418 5.340 3.516
88 H CYS 18 H CYS 18 3.855 3.963 6.387
89 HA CYS 18 HA CYS 18 5.271 5.779 8.228
90 HB2 CYS 18 1HB CYS 18 4.248 4.585 10.084
91 HB3 CYS 18 2HB CYS 18 2.998 5.184 8.999
92 H GLY 19 H GLY 19 4.952 2.437 7.105
93 HA2 GLY 19 1HA GLY 19 7.077 1.299 6.579
94 HA3 GLY 19 2HA GLY 19 7.700 1.958 8.084
95 H LYS 20 H LYS 20 5.093 -0.124 6.849
96 HA LYS 20 HA LYS 20 5.685 -2.058 8.939
97 HB2 LYS 20 1HB LYS 20 3.138 -0.502 8.758
98 HB3 LYS 20 2HB LYS 20 3.074 -2.178 9.286
99 HG2 LYS 20 1HG LYS 20 4.676 -1.649 11.079
100 HG3 LYS 20 2HG LYS 20 4.657 0.040 10.568
101 HD2 LYS 20 1HD LYS 20 2.064 -1.297 11.167
102 HD3 LYS 20 2HD LYS 20 3.100 -0.825 12.515
103 HE2 LYS 20 1HE LYS 20 3.211 1.466 11.347
104 HE3 LYS 20 2HE LYS 20 1.817 0.904 10.426
105 HZ1 LYS 20 3HZ LYS 20 0.868 0.374 12.755
106 HZ2 LYS 20 1HZ LYS 20 0.843 1.971 12.197
107 HZ3 LYS 20 2HZ LYS 20 2.025 1.481 13.303
108 H VAL 21 H VAL 21 5.522 -4.080 8.194
109 HA VAL 21 HA VAL 21 4.354 -4.469 5.535
110 HB VAL 21 HB VAL 21 6.121 -6.347 7.109
111 HG11 VAL 21 1HG1 VAL 21 6.473 -7.241 4.709
112 HG12 VAL 21 2HG1 VAL 21 4.997 -7.676 5.573
113 HG13 VAL 21 3HG1 VAL 21 4.962 -6.406 4.349
114 HG21 VAL 21 3HG2 VAL 21 7.977 -5.543 5.939
115 HG22 VAL 21 1HG2 VAL 21 6.980 -4.714 4.744
116 HG23 VAL 21 2HG2 VAL 21 7.097 -4.082 6.387
117 H PHE 22 H PHE 22 3.101 -6.405 5.105
118 HA PHE 22 HA PHE 22 1.733 -7.502 7.462
119 HB2 PHE 22 1HB PHE 22 0.426 -6.417 4.962
120 HB3 PHE 22 2HB PHE 22 -0.414 -7.397 6.159
121 HD1 PHE 22 HD2 PHE 22 1.439 -4.218 5.713
122 HD2 PHE 22 HD1 PHE 22 -1.346 -6.420 8.059
123 HE1 PHE 22 HE2 PHE 22 0.935 -2.190 7.011
124 HE2 PHE 22 HE1 PHE 22 -1.856 -4.395 9.361
125 HZ PHE 22 HZ PHE 22 -0.713 -2.277 8.839
126 H SER 23 H SER 23 0.301 -9.421 6.762
127 HA SER 23 HA SER 23 1.982 -11.166 5.128
128 HB2 SER 23 1HB SER 23 0.257 -12.907 6.094
129 HB3 SER 23 2HB SER 23 1.548 -12.275 7.116
130 HG SER 23 HG SER 23 -1.099 -12.078 7.448
131 H ARG 24 H ARG 24 -1.291 -9.890 5.300
132 HA ARG 24 HA ARG 24 -1.752 -10.904 2.575
133 HB2 ARG 24 1HB ARG 24 -3.837 -10.716 4.757
134 HB3 ARG 24 2HB ARG 24 -4.096 -11.291 3.116
135 HG2 ARG 24 1HG ARG 24 -2.460 -13.123 3.592
136 HG3 ARG 24 2HG ARG 24 -2.466 -12.598 5.277
137 HD2 ARG 24 1HD ARG 24 -4.752 -13.136 5.536
138 HD3 ARG 24 2HD ARG 24 -4.984 -13.307 3.797
139 HE ARG 24 HE ARG 24 -4.309 -15.473 3.986
140 HH11 ARG 24 1HH1 ARG 24 -3.103 -13.698 6.727
141 HH12 ARG 24 2HH1 ARG 24 -2.443 -15.097 7.508
142 HH21 ARG 24 1HH2 ARG 24 -3.445 -17.322 5.004
143 HH22 ARG 24 2HH2 ARG 24 -2.638 -17.158 6.526
144 H LYS 25 H LYS 25 -2.648 -9.496 1.145
145 HA LYS 25 HA LYS 25 -2.344 -6.797 1.379
146 HB2 LYS 25 1HB LYS 25 -2.771 -7.747 -0.768
147 HB3 LYS 25 2HB LYS 25 -4.339 -8.358 -0.259
148 HG2 LYS 25 1HG LYS 25 -4.664 -6.451 -1.668
149 HG3 LYS 25 2HG LYS 25 -5.122 -6.023 -0.018
150 HD2 LYS 25 1HD LYS 25 -3.864 -4.192 -0.549
151 HD3 LYS 25 2HD LYS 25 -2.596 -5.239 0.092
152 HE2 LYS 25 1HE LYS 25 -1.845 -4.256 -1.975
153 HE3 LYS 25 2HE LYS 25 -2.101 -5.983 -2.214
154 HZ1 LYS 25 3HZ LYS 25 -3.254 -5.304 -3.993
155 HZ2 LYS 25 1HZ LYS 25 -3.469 -3.732 -3.405
156 HZ3 LYS 25 2HZ LYS 25 -4.492 -4.976 -2.888
157 H ASP 26 H ASP 26 -5.362 -8.593 1.963
158 HA ASP 26 HA ASP 26 -7.101 -6.596 2.562
159 HB2 ASP 26 1HB ASP 26 -8.345 -8.143 3.856
160 HB3 ASP 26 2HB ASP 26 -7.501 -9.109 2.649
161 H GLN 27 H GLN 27 -4.754 -8.017 4.823
162 HA GLN 27 HA GLN 27 -5.430 -6.404 7.027
163 HB2 GLN 27 1HB GLN 27 -2.720 -7.601 6.447
164 HB3 GLN 27 2HB GLN 27 -3.370 -7.159 8.020
165 HG2 GLN 27 1HG GLN 27 -4.890 -8.947 8.015
166 HG3 GLN 27 2HG GLN 27 -4.664 -9.240 6.292
167 HE21 GLN 27 1HE2 GLN 27 -2.664 -9.021 9.220
168 HE22 GLN 27 2HE2 GLN 27 -1.724 -10.432 8.888
169 H LEU 28 H LEU 28 -3.423 -5.845 4.244
170 HA LEU 28 HA LEU 28 -2.051 -3.573 5.326
171 HB2 LEU 28 1HB LEU 28 -1.147 -4.994 3.509
172 HB3 LEU 28 2HB LEU 28 -2.414 -4.386 2.446
173 HG LEU 28 HG LEU 28 -1.326 -2.055 3.138
174 HD11 LEU 28 1HD1 LEU 28 0.371 -2.731 4.586
175 HD12 LEU 28 2HD1 LEU 28 1.202 -2.469 3.053
176 HD13 LEU 28 3HD1 LEU 28 0.814 -4.108 3.577
177 HD21 LEU 28 3HD2 LEU 28 -1.568 -2.633 0.871
178 HD22 LEU 28 1HD2 LEU 28 -0.459 -3.997 1.014
179 HD23 LEU 28 2HD2 LEU 28 0.159 -2.347 1.093
180 H VAL 29 H VAL 29 -4.835 -4.063 3.197
181 HA VAL 29 HA VAL 29 -5.304 -1.404 2.493
182 HB VAL 29 HB VAL 29 -7.338 -3.600 2.907
183 HG11 VAL 29 1HG1 VAL 29 -8.577 -2.189 1.145
184 HG12 VAL 29 2HG1 VAL 29 -8.594 -1.640 2.822
185 HG13 VAL 29 3HG1 VAL 29 -7.509 -0.882 1.656
186 HG21 VAL 29 3HG2 VAL 29 -6.974 -3.235 0.200
187 HG22 VAL 29 1HG2 VAL 29 -5.341 -3.095 0.852
188 HG23 VAL 29 2HG2 VAL 29 -6.296 -4.543 1.169
189 H SER 30 H SER 30 -6.796 -3.290 5.128
190 HA SER 30 HA SER 30 -8.346 -1.284 6.236
191 HB2 SER 30 1HB SER 30 -6.924 -3.556 7.644
192 HB3 SER 30 2HB SER 30 -8.212 -2.582 8.354
193 HG SER 30 HG SER 30 -9.474 -3.289 6.449
194 H HIS 31 H HIS 31 -4.917 -1.914 6.601
195 HA HIS 31 HA HIS 31 -4.534 -0.054 8.746
196 HB2 HIS 31 1HB HIS 31 -2.947 -1.815 8.596
197 HB3 HIS 31 2HB HIS 31 -2.641 -1.494 6.891
198 HD1 HIS 31 HD1 HIS 31 -2.286 0.459 10.148
199 HD2 HIS 31 HD2 HIS 31 -0.315 -0.180 6.547
200 HE1 HIS 31 HE1 HIS 31 -0.162 1.797 10.297
201 H GLN 32 H GLN 32 -3.318 0.000 5.389
202 HA GLN 32 HA GLN 32 -2.340 2.486 5.174
203 HB2 GLN 32 1HB GLN 32 -4.011 0.914 3.240
204 HB3 GLN 32 2HB GLN 32 -3.429 2.517 2.813
205 HG2 GLN 32 1HG GLN 32 -1.111 1.636 3.444
206 HG3 GLN 32 2HG GLN 32 -1.848 0.037 3.371
207 HE21 GLN 32 1HE2 GLN 32 -0.699 -0.666 1.620
208 HE22 GLN 32 2HE2 GLN 32 -0.904 -0.024 0.029
209 H LYS 33 H LYS 33 -5.791 1.689 5.065
210 HA LYS 33 HA LYS 33 -6.996 4.000 4.406
211 HB2 LYS 33 1HB LYS 33 -7.642 1.978 6.512
212 HB3 LYS 33 2HB LYS 33 -8.625 3.432 6.400
213 HG2 LYS 33 1HG LYS 33 -8.788 2.793 3.880
214 HG3 LYS 33 2HG LYS 33 -8.332 1.189 4.458
215 HD2 LYS 33 1HD LYS 33 -10.522 2.638 5.862
216 HD3 LYS 33 2HD LYS 33 -10.862 1.921 4.286
217 HE2 LYS 33 1HE LYS 33 -9.566 0.368 6.508
218 HE3 LYS 33 2HE LYS 33 -11.317 0.490 6.349
219 HZ1 LYS 33 3HZ LYS 33 -9.957 -1.449 5.234
220 HZ2 LYS 33 1HZ LYS 33 -9.794 -0.316 3.988
221 HZ3 LYS 33 2HZ LYS 33 -11.333 -0.797 4.497
222 H THR 34 H THR 34 -5.649 3.306 7.620
223 HA THR 34 HA THR 34 -6.351 5.569 8.990
224 HB THR 34 HB THR 34 -4.392 5.270 10.381
225 HG1 THR 34 HG1 THR 34 -3.442 3.840 8.133
226 HG21 THR 34 3HG2 THR 34 -5.404 3.482 11.238
227 HG22 THR 34 1HG2 THR 34 -4.628 2.462 10.027
228 HG23 THR 34 2HG2 THR 34 -6.202 3.184 9.694
229 H HIS 35 H HIS 35 -3.597 5.179 6.786
230 HA HIS 35 HA HIS 35 -2.798 7.938 7.102
231 HB2 HIS 35 1HB HIS 35 -1.809 5.966 5.039
232 HB3 HIS 35 2HB HIS 35 -0.998 7.423 5.608
233 HD1 HIS 35 HD1 HIS 35 -0.328 7.310 8.273
234 HD2 HIS 35 HD2 HIS 35 -1.020 3.712 6.315
235 HE1 HIS 35 HE1 HIS 35 0.746 5.547 9.708
236 H SER 36 H SER 36 -4.633 9.083 6.409
237 HA SER 36 HA SER 36 -4.906 9.198 3.491
238 HB2 SER 36 1HB SER 36 -6.789 7.867 4.703
239 HB3 SER 36 2HB SER 36 -7.347 9.456 5.225
240 HG SER 36 HG SER 36 -8.197 8.553 3.160
241 H GLY 37 H GLY 37 -5.625 11.226 2.674
242 HA2 GLY 37 1HA GLY 37 -5.760 13.519 2.627
243 HA3 GLY 37 2HA GLY 37 -6.251 13.443 4.313
244 H GLN 38 H GLN 38 -3.743 14.193 2.128
245 HA GLN 38 HA GLN 38 -1.404 13.956 3.477
246 HB2 GLN 38 1HB GLN 38 -1.480 14.952 1.282
247 HB3 GLN 38 2HB GLN 38 -2.376 16.336 1.892
248 HG2 GLN 38 1HG GLN 38 -0.196 17.111 1.638
249 HG3 GLN 38 2HG GLN 38 -0.353 16.792 3.365
250 HE21 GLN 38 1HE2 GLN 38 0.867 15.215 4.301
251 HE22 GLN 38 2HE2 GLN 38 2.116 14.355 3.473
252 H SER 39 H SER 39 -1.052 14.273 5.576
253 HA SER 39 HA SER 39 -2.463 15.903 7.301
254 HB2 SER 39 1HB SER 39 -0.452 15.741 8.798
255 HB3 SER 39 2HB SER 39 -1.007 14.190 8.168
256 HG SER 39 HG SER 39 0.922 15.571 6.702
257 H GLY 40 H GLY 40 -2.833 17.993 6.768
258 HA2 GLY 40 1HA GLY 40 -0.737 19.690 5.739
259 HA3 GLY 40 2HA GLY 40 -2.387 20.171 6.106
260 HA PRO 41 HA PRO 41 0.363 22.117 9.267
261 HB2 PRO 41 1HB PRO 41 -0.894 24.523 9.206
262 HB3 PRO 41 2HB PRO 41 0.404 24.089 8.088
263 HG2 PRO 41 1HG PRO 41 -2.559 24.046 7.660
264 HG3 PRO 41 2HG PRO 41 -1.280 24.614 6.571
265 HD2 PRO 41 1HD PRO 41 -2.458 22.192 6.295
266 HD3 PRO 41 2HD PRO 41 -0.760 22.482 5.865
267 H SER 42 H SER 42 -0.663 20.641 10.759
268 HA SER 42 HA SER 42 -3.285 20.985 11.736
269 HB2 SER 42 1HB SER 42 -0.853 19.683 12.978
270 HB3 SER 42 2HB SER 42 -2.469 19.607 13.679
271 HG SER 42 HG SER 42 -1.743 17.828 12.214
272 H SER 43 H SER 43 -4.097 22.557 12.936
273 HA SER 43 HA SER 43 -2.858 24.801 13.820
274 HB2 SER 43 1HB SER 43 -5.249 24.677 13.888
275 HB3 SER 43 2HB SER 43 -5.208 23.354 15.053
276 HG SER 43 HG SER 43 -4.336 26.018 15.510
277 H GLY 44 H GLY 44 -3.472 21.931 15.851
278 HA2 GLY 44 1HA GLY 44 -1.646 22.981 17.875
279 HA3 GLY 44 2HA GLY 44 -2.681 21.570 18.039
Start of MODEL 14
1 H1 GLY 1 H GLY 1 22.660 3.546 2.141
2 HA2 GLY 1 1HA GLY 1 22.615 0.652 2.674
3 HA3 GLY 1 2HA GLY 1 24.062 1.638 2.525
4 H SER 2 H SER 2 21.363 0.799 4.608
5 HA SER 2 HA SER 2 22.980 1.633 6.913
6 HB2 SER 2 1HB SER 2 20.077 2.290 6.407
7 HB3 SER 2 2HB SER 2 20.801 2.360 8.014
8 HG SER 2 HG SER 2 20.860 4.209 6.134
9 H SER 3 H SER 3 23.464 -0.242 7.857
10 HA SER 3 HA SER 3 21.584 -2.451 7.846
11 HB2 SER 3 1HB SER 3 24.457 -2.094 8.555
12 HB3 SER 3 2HB SER 3 23.584 -3.420 9.323
13 HG SER 3 HG SER 3 24.392 -3.118 6.712
14 H GLY 4 H GLY 4 20.275 -3.011 9.471
15 HA2 GLY 4 1HA GLY 4 20.670 -2.921 12.163
16 HA3 GLY 4 2HA GLY 4 20.096 -1.304 11.783
17 H SER 5 H SER 5 18.245 -1.863 9.796
18 HA SER 5 HA SER 5 16.243 -3.429 11.289
19 HB2 SER 5 1HB SER 5 15.870 -0.985 9.543
20 HB3 SER 5 2HB SER 5 14.544 -1.943 10.202
21 HG SER 5 HG SER 5 16.539 -0.599 11.712
22 H SER 6 H SER 6 17.113 -2.356 8.006
23 HA SER 6 HA SER 6 15.511 -4.382 6.758
24 HB2 SER 6 1HB SER 6 16.412 -3.542 4.666
25 HB3 SER 6 2HB SER 6 15.989 -2.176 5.698
26 HG SER 6 HG SER 6 17.985 -1.574 5.569
27 H GLY 7 H GLY 7 16.504 -5.904 5.136
28 HA2 GLY 7 1HA GLY 7 19.209 -6.765 5.565
29 HA3 GLY 7 2HA GLY 7 18.037 -7.832 6.324
30 H THR 8 H THR 8 17.728 -9.579 5.129
31 HA THR 8 HA THR 8 17.729 -9.297 2.197
32 HB THR 8 HB THR 8 19.480 -10.789 2.917
33 HG1 THR 8 HG1 THR 8 18.678 -12.752 1.877
34 HG21 THR 8 3HG2 THR 8 17.912 -12.944 4.010
35 HG22 THR 8 1HG2 THR 8 17.693 -11.477 4.964
36 HG23 THR 8 2HG2 THR 8 19.313 -12.122 4.697
37 H GLY 9 H GLY 9 15.781 -9.349 1.298
38 HA2 GLY 9 1HA GLY 9 13.898 -10.960 0.880
39 HA3 GLY 9 2HA GLY 9 13.677 -10.945 2.623
40 H GLU 10 H GLU 10 11.484 -10.379 1.346
41 HA GLU 10 HA GLU 10 10.817 -7.766 2.154
42 HB2 GLU 10 1HB GLU 10 10.328 -6.759 -0.040
43 HB3 GLU 10 2HB GLU 10 12.045 -7.066 0.177
44 HG2 GLU 10 1HG GLU 10 11.876 -9.069 -1.192
45 HG3 GLU 10 2HG GLU 10 10.145 -8.797 -1.390
46 H ASN 11 H ASN 11 8.681 -7.675 2.514
47 HA ASN 11 HA ASN 11 7.070 -9.965 1.858
48 HB2 ASN 11 1HB ASN 11 6.633 -7.455 3.449
49 HB3 ASN 11 2HB ASN 11 5.269 -8.487 3.027
50 HD21 ASN 11 1HD2 ASN 11 8.602 -9.002 4.141
51 HD22 ASN 11 2HD2 ASN 11 8.184 -10.074 5.429
52 HA PRO 12 HA PRO 12 5.080 -8.505 -1.774
53 HB2 PRO 12 1HB PRO 12 2.624 -9.630 -1.503
54 HB3 PRO 12 2HB PRO 12 4.070 -10.565 -1.899
55 HG2 PRO 12 1HG PRO 12 2.712 -10.206 0.744
56 HG3 PRO 12 2HG PRO 12 3.379 -11.681 0.021
57 HD2 PRO 12 1HD PRO 12 4.698 -10.260 1.910
58 HD3 PRO 12 2HD PRO 12 5.539 -11.151 0.626
59 H TYR 13 H TYR 13 3.959 -7.646 1.340
60 HA TYR 13 HA TYR 13 2.553 -5.343 0.204
61 HB2 TYR 13 1HB TYR 13 1.406 -6.983 2.469
62 HB3 TYR 13 2HB TYR 13 0.667 -5.588 1.690
63 HD1 TYR 13 HD2 TYR 13 0.070 -5.807 -0.797
64 HD2 TYR 13 HD1 TYR 13 0.973 -9.142 1.685
65 HE1 TYR 13 HE2 TYR 13 -1.066 -7.294 -2.392
66 HE2 TYR 13 HE1 TYR 13 -0.160 -10.639 0.097
67 HH TYR 13 HH TYR 13 -1.355 -10.779 -1.770
68 H GLU 14 H GLU 14 3.613 -3.635 0.948
69 HA GLU 14 HA GLU 14 4.215 -3.486 3.811
70 HB2 GLU 14 1HB GLU 14 6.317 -4.144 2.890
71 HB3 GLU 14 2HB GLU 14 6.172 -2.992 1.570
72 HG2 GLU 14 1HG GLU 14 6.276 -1.161 3.264
73 HG3 GLU 14 2HG GLU 14 6.639 -2.387 4.477
74 H CYS 15 H CYS 15 2.970 -1.848 4.448
75 HA CYS 15 HA CYS 15 1.817 0.150 3.027
76 HB2 CYS 15 1HB CYS 15 1.299 -0.175 5.363
77 HB3 CYS 15 2HB CYS 15 2.926 0.303 5.836
78 H CYS 16 H CYS 16 2.533 1.733 1.777
79 HA CYS 16 HA CYS 16 5.313 2.606 2.030
80 HB2 CYS 16 1HB CYS 16 3.278 3.063 -0.161
81 HB3 CYS 16 2HB CYS 16 4.937 3.654 -0.193
82 H GLU 17 H GLU 17 3.652 3.507 4.058
83 HA GLU 17 HA GLU 17 3.547 6.385 3.459
84 HB2 GLU 17 1HB GLU 17 1.541 4.810 5.083
85 HB3 GLU 17 2HB GLU 17 1.574 6.563 4.958
86 HG2 GLU 17 1HG GLU 17 1.394 4.898 2.489
87 HG3 GLU 17 2HG GLU 17 -0.041 5.188 3.471
88 H CYS 18 H CYS 18 3.676 3.928 6.020
89 HA CYS 18 HA CYS 18 5.255 5.820 7.638
90 HB2 CYS 18 1HB CYS 18 4.443 4.657 9.628
91 HB3 CYS 18 2HB CYS 18 3.092 5.253 8.669
92 H GLY 19 H GLY 19 4.834 2.398 6.789
93 HA2 GLY 19 1HA GLY 19 7.011 1.355 6.052
94 HA3 GLY 19 2HA GLY 19 7.647 1.955 7.577
95 H LYS 20 H LYS 20 4.577 0.340 6.797
96 HA LYS 20 HA LYS 20 5.230 -1.666 8.849
97 HB2 LYS 20 1HB LYS 20 2.601 -0.578 7.858
98 HB3 LYS 20 2HB LYS 20 2.699 -2.067 8.789
99 HG2 LYS 20 1HG LYS 20 4.018 0.359 9.883
100 HG3 LYS 20 2HG LYS 20 2.257 0.262 9.937
101 HD2 LYS 20 1HD LYS 20 2.324 -1.737 11.224
102 HD3 LYS 20 2HD LYS 20 4.059 -1.925 10.959
103 HE2 LYS 20 1HE LYS 20 4.076 -1.037 13.065
104 HE3 LYS 20 2HE LYS 20 4.142 0.445 12.112
105 HZ1 LYS 20 3HZ LYS 20 2.463 0.921 13.566
106 HZ2 LYS 20 1HZ LYS 20 1.909 -0.675 13.651
107 HZ3 LYS 20 2HZ LYS 20 1.564 0.269 12.290
108 H VAL 21 H VAL 21 4.138 -3.834 8.453
109 HA VAL 21 HA VAL 21 4.065 -4.528 5.602
110 HB VAL 21 HB VAL 21 5.598 -6.129 7.654
111 HG11 VAL 21 1HG1 VAL 21 4.988 -6.504 4.748
112 HG12 VAL 21 2HG1 VAL 21 6.452 -7.192 5.453
113 HG13 VAL 21 3HG1 VAL 21 4.869 -7.661 6.073
114 HG21 VAL 21 3HG2 VAL 21 6.418 -3.985 5.782
115 HG22 VAL 21 1HG2 VAL 21 7.088 -4.444 7.348
116 HG23 VAL 21 2HG2 VAL 21 7.480 -5.388 5.910
117 H PHE 22 H PHE 22 2.982 -6.539 5.142
118 HA PHE 22 HA PHE 22 1.450 -7.748 7.301
119 HB2 PHE 22 1HB PHE 22 0.144 -6.425 4.915
120 HB3 PHE 22 2HB PHE 22 -0.689 -7.477 6.055
121 HD1 PHE 22 HD2 PHE 22 1.047 -4.245 5.685
122 HD2 PHE 22 HD1 PHE 22 -1.435 -6.674 8.146
123 HE1 PHE 22 HE2 PHE 22 0.586 -2.306 7.128
124 HE2 PHE 22 HE1 PHE 22 -1.901 -4.739 9.592
125 HZ PHE 22 HZ PHE 22 -0.889 -2.551 9.085
126 H SER 23 H SER 23 -0.032 -9.529 6.285
127 HA SER 23 HA SER 23 1.703 -11.099 4.532
128 HB2 SER 23 1HB SER 23 0.351 -13.023 5.242
129 HB3 SER 23 2HB SER 23 0.960 -12.135 6.639
130 HG SER 23 HG SER 23 -1.564 -12.694 6.008
131 H ARG 24 H ARG 24 -1.690 -10.085 4.801
132 HA ARG 24 HA ARG 24 -1.988 -10.634 1.920
133 HB2 ARG 24 1HB ARG 24 -4.145 -10.724 4.037
134 HB3 ARG 24 2HB ARG 24 -4.359 -11.060 2.324
135 HG2 ARG 24 1HG ARG 24 -3.195 -13.076 2.450
136 HG3 ARG 24 2HG ARG 24 -2.446 -12.650 3.990
137 HD2 ARG 24 1HD ARG 24 -4.863 -12.617 4.895
138 HD3 ARG 24 2HD ARG 24 -5.258 -13.522 3.434
139 HE ARG 24 HE ARG 24 -3.972 -14.524 5.761
140 HH11 ARG 24 1HH1 ARG 24 -4.058 -14.821 2.293
141 HH12 ARG 24 2HH1 ARG 24 -3.506 -16.463 2.289
142 HH21 ARG 24 1HH2 ARG 24 -3.244 -16.686 5.769
143 HH22 ARG 24 2HH2 ARG 24 -3.044 -17.524 4.267
144 H LYS 25 H LYS 25 -2.624 -8.998 0.647
145 HA LYS 25 HA LYS 25 -2.380 -6.387 1.165
146 HB2 LYS 25 1HB LYS 25 -2.886 -7.213 -1.064
147 HB3 LYS 25 2HB LYS 25 -4.524 -7.624 -0.571
148 HG2 LYS 25 1HG LYS 25 -5.101 -5.321 -0.316
149 HG3 LYS 25 2HG LYS 25 -3.425 -4.823 -0.562
150 HD2 LYS 25 1HD LYS 25 -3.532 -5.770 -2.853
151 HD3 LYS 25 2HD LYS 25 -5.242 -6.125 -2.591
152 HE2 LYS 25 1HE LYS 25 -4.158 -3.354 -2.221
153 HE3 LYS 25 2HE LYS 25 -4.602 -3.950 -3.820
154 HZ1 LYS 25 3HZ LYS 25 -6.797 -3.955 -3.312
155 HZ2 LYS 25 1HZ LYS 25 -6.316 -2.717 -2.264
156 HZ3 LYS 25 2HZ LYS 25 -6.551 -4.283 -1.670
157 H ASP 26 H ASP 26 -5.423 -8.174 1.623
158 HA ASP 26 HA ASP 26 -7.159 -6.274 2.410
159 HB2 ASP 26 1HB ASP 26 -7.309 -8.900 2.485
160 HB3 ASP 26 2HB ASP 26 -6.919 -8.671 4.188
161 H GLN 27 H GLN 27 -4.980 -7.889 4.732
162 HA GLN 27 HA GLN 27 -5.530 -6.281 6.923
163 HB2 GLN 27 1HB GLN 27 -2.867 -7.543 6.249
164 HB3 GLN 27 2HB GLN 27 -3.410 -7.045 7.846
165 HG2 GLN 27 1HG GLN 27 -4.369 -9.335 6.171
166 HG3 GLN 27 2HG GLN 27 -3.697 -9.360 7.801
167 HE21 GLN 27 1HE2 GLN 27 -6.309 -10.241 6.510
168 HE22 GLN 27 2HE2 GLN 27 -7.522 -9.602 7.561
169 H LEU 28 H LEU 28 -3.345 -5.739 4.230
170 HA LEU 28 HA LEU 28 -2.009 -3.494 5.347
171 HB2 LEU 28 1HB LEU 28 -1.099 -4.835 3.501
172 HB3 LEU 28 2HB LEU 28 -2.394 -4.256 2.455
173 HG LEU 28 HG LEU 28 -1.356 -1.901 3.137
174 HD11 LEU 28 1HD1 LEU 28 0.880 -3.881 3.473
175 HD12 LEU 28 2HD1 LEU 28 0.358 -2.620 4.589
176 HD13 LEU 28 3HD1 LEU 28 1.155 -2.184 3.078
177 HD21 LEU 28 3HD2 LEU 28 -1.639 -2.590 0.869
178 HD22 LEU 28 1HD2 LEU 28 -0.354 -3.790 1.014
179 HD23 LEU 28 2HD2 LEU 28 0.035 -2.070 1.067
180 H VAL 29 H VAL 29 -4.825 -3.867 3.243
181 HA VAL 29 HA VAL 29 -5.231 -1.144 2.673
182 HB VAL 29 HB VAL 29 -7.267 -3.370 2.837
183 HG11 VAL 29 1HG1 VAL 29 -8.628 -1.531 2.833
184 HG12 VAL 29 2HG1 VAL 29 -7.449 -0.522 1.993
185 HG13 VAL 29 3HG1 VAL 29 -8.375 -1.728 1.099
186 HG21 VAL 29 3HG2 VAL 29 -6.949 -2.973 0.225
187 HG22 VAL 29 1HG2 VAL 29 -5.344 -2.480 0.764
188 HG23 VAL 29 2HG2 VAL 29 -5.941 -4.097 1.136
189 H SER 30 H SER 30 -6.470 -3.206 5.274
190 HA SER 30 HA SER 30 -8.160 -1.265 6.437
191 HB2 SER 30 1HB SER 30 -6.940 -3.834 7.398
192 HB3 SER 30 2HB SER 30 -7.794 -2.787 8.533
193 HG SER 30 HG SER 30 -9.456 -2.879 6.657
194 H HIS 31 H HIS 31 -4.762 -1.679 6.469
195 HA HIS 31 HA HIS 31 -4.382 -0.108 8.889
196 HB2 HIS 31 1HB HIS 31 -2.780 -1.800 8.761
197 HB3 HIS 31 2HB HIS 31 -2.552 -1.589 7.027
198 HD1 HIS 31 HD1 HIS 31 -1.609 -0.031 10.324
199 HD2 HIS 31 HD2 HIS 31 -0.584 0.204 6.305
200 HE1 HIS 31 HE1 HIS 31 0.461 1.394 10.241
201 H GLN 32 H GLN 32 -3.368 0.122 5.476
202 HA GLN 32 HA GLN 32 -2.257 2.616 5.465
203 HB2 GLN 32 1HB GLN 32 -3.895 1.178 3.396
204 HB3 GLN 32 2HB GLN 32 -3.242 2.779 3.079
205 HG2 GLN 32 1HG GLN 32 -0.981 1.782 3.745
206 HG3 GLN 32 2HG GLN 32 -1.770 0.217 3.554
207 HE21 GLN 32 1HE2 GLN 32 -1.505 -0.673 1.648
208 HE22 GLN 32 2HE2 GLN 32 -1.268 0.159 0.153
209 H LYS 33 H LYS 33 -5.569 1.804 5.937
210 HA LYS 33 HA LYS 33 -6.857 4.140 5.134
211 HB2 LYS 33 1HB LYS 33 -7.439 2.050 7.196
212 HB3 LYS 33 2HB LYS 33 -8.439 3.495 7.130
213 HG2 LYS 33 1HG LYS 33 -8.692 2.933 4.626
214 HG3 LYS 33 2HG LYS 33 -8.118 1.330 5.092
215 HD2 LYS 33 1HD LYS 33 -10.366 2.626 6.585
216 HD3 LYS 33 2HD LYS 33 -10.670 1.809 5.050
217 HE2 LYS 33 1HE LYS 33 -9.853 -0.261 5.905
218 HE3 LYS 33 2HE LYS 33 -9.243 0.516 7.366
219 HZ1 LYS 33 3HZ LYS 33 -11.205 -0.398 8.089
220 HZ2 LYS 33 1HZ LYS 33 -12.015 -0.129 6.628
221 HZ3 LYS 33 2HZ LYS 33 -11.717 1.162 7.680
222 H THR 34 H THR 34 -5.429 3.328 8.285
223 HA THR 34 HA THR 34 -6.082 5.452 9.823
224 HB THR 34 HB THR 34 -4.617 3.665 10.623
225 HG1 THR 34 HG1 THR 34 -3.672 4.971 12.046
226 HG21 THR 34 3HG2 THR 34 -2.111 4.799 9.686
227 HG22 THR 34 1HG2 THR 34 -3.114 4.209 8.361
228 HG23 THR 34 2HG2 THR 34 -2.663 3.125 9.677
229 H HIS 35 H HIS 35 -3.920 5.480 7.080
230 HA HIS 35 HA HIS 35 -3.079 8.216 7.610
231 HB2 HIS 35 1HB HIS 35 -2.419 6.544 5.186
232 HB3 HIS 35 2HB HIS 35 -1.556 7.955 5.790
233 HD1 HIS 35 HD1 HIS 35 -0.681 7.454 8.456
234 HD2 HIS 35 HD2 HIS 35 -1.102 4.281 5.807
235 HE1 HIS 35 HE1 HIS 35 0.739 5.602 9.394
236 H SER 36 H SER 36 -5.832 7.944 7.225
237 HA SER 36 HA SER 36 -6.236 9.808 5.088
238 HB2 SER 36 1HB SER 36 -7.032 6.945 4.763
239 HB3 SER 36 2HB SER 36 -8.100 8.194 4.123
240 HG SER 36 HG SER 36 -6.746 8.490 2.553
241 H GLY 37 H GLY 37 -7.524 11.235 6.037
242 HA2 GLY 37 1HA GLY 37 -10.094 10.477 7.049
243 HA3 GLY 37 2HA GLY 37 -8.989 10.929 8.338
244 H GLN 38 H GLN 38 -9.095 12.977 8.944
245 HA GLN 38 HA GLN 38 -9.742 15.015 6.926
246 HB2 GLN 38 1HB GLN 38 -11.679 14.325 8.501
247 HB3 GLN 38 2HB GLN 38 -10.789 15.206 9.735
248 HG2 GLN 38 1HG GLN 38 -12.170 16.851 8.997
249 HG3 GLN 38 2HG GLN 38 -10.798 17.105 7.920
250 HE21 GLN 38 1HE2 GLN 38 -11.303 17.362 5.876
251 HE22 GLN 38 2HE2 GLN 38 -12.696 16.724 5.078
252 H SER 39 H SER 39 -8.113 16.394 6.789
253 HA SER 39 HA SER 39 -6.750 17.222 9.259
254 HB2 SER 39 1HB SER 39 -5.245 15.659 8.209
255 HB3 SER 39 2HB SER 39 -5.445 16.444 6.643
256 HG SER 39 HG SER 39 -4.475 18.321 7.592
257 H GLY 40 H GLY 40 -7.090 19.322 9.523
258 HA2 GLY 40 1HA GLY 40 -6.249 21.329 7.836
259 HA3 GLY 40 2HA GLY 40 -7.922 21.030 7.390
260 HA PRO 41 HA PRO 41 -9.118 23.865 10.526
261 HB2 PRO 41 1HB PRO 41 -11.684 23.057 10.890
262 HB3 PRO 41 2HB PRO 41 -11.153 23.954 9.463
263 HG2 PRO 41 1HG PRO 41 -11.602 21.013 9.793
264 HG3 PRO 41 2HG PRO 41 -12.058 22.069 8.444
265 HD2 PRO 41 1HD PRO 41 -9.878 20.465 8.366
266 HD3 PRO 41 2HD PRO 41 -9.940 22.033 7.536
267 H SER 42 H SER 42 -9.916 20.442 11.029
268 HA SER 42 HA SER 42 -10.399 20.606 13.796
269 HB2 SER 42 1HB SER 42 -10.220 18.197 13.812
270 HB3 SER 42 2HB SER 42 -11.034 18.680 12.324
271 HG SER 42 HG SER 42 -9.536 17.559 11.377
272 H SER 43 H SER 43 -7.465 19.718 11.993
273 HA SER 43 HA SER 43 -5.923 19.795 14.477
274 HB2 SER 43 1HB SER 43 -5.637 17.876 12.907
275 HB3 SER 43 2HB SER 43 -5.011 19.000 11.702
276 HG SER 43 HG SER 43 -3.674 17.796 13.623
277 H GLY 44 H GLY 44 -5.407 20.959 11.138
278 HA2 GLY 44 1HA GLY 44 -5.238 23.533 11.131
279 HA3 GLY 44 2HA GLY 44 -3.928 23.241 12.265
Start of MODEL 15
1 H1 GLY 1 H GLY 1 28.974 1.886 3.379
2 HA2 GLY 1 1HA GLY 1 29.274 3.089 5.903
3 HA3 GLY 1 2HA GLY 1 27.648 3.414 5.323
4 H SER 2 H SER 2 27.015 2.176 7.237
5 HA SER 2 HA SER 2 27.567 -0.655 7.267
6 HB2 SER 2 1HB SER 2 26.180 -0.715 9.260
7 HB3 SER 2 2HB SER 2 27.271 0.667 9.359
8 HG SER 2 HG SER 2 24.512 0.660 8.723
9 H SER 3 H SER 3 26.680 -1.769 5.626
10 HA SER 3 HA SER 3 24.391 -1.228 4.203
11 HB2 SER 3 1HB SER 3 25.697 -3.868 4.866
12 HB3 SER 3 2HB SER 3 24.329 -3.740 3.761
13 HG SER 3 HG SER 3 26.901 -2.584 3.493
14 H GLY 4 H GLY 4 24.690 -3.217 7.134
15 HA2 GLY 4 1HA GLY 4 23.046 -4.179 8.455
16 HA3 GLY 4 2HA GLY 4 22.441 -2.529 8.446
17 H SER 5 H SER 5 22.116 -5.719 7.067
18 HA SER 5 HA SER 5 20.109 -5.139 5.175
19 HB2 SER 5 1HB SER 5 21.519 -7.287 5.453
20 HB3 SER 5 2HB SER 5 20.300 -7.768 6.633
21 HG SER 5 HG SER 5 18.733 -7.585 5.004
22 H SER 6 H SER 6 18.311 -4.085 5.749
23 HA SER 6 HA SER 6 16.988 -4.710 8.271
24 HB2 SER 6 1HB SER 6 16.845 -2.479 6.298
25 HB3 SER 6 2HB SER 6 15.411 -2.811 7.268
26 HG SER 6 HG SER 6 17.122 -1.292 8.106
27 H GLY 7 H GLY 7 15.973 -4.324 4.867
28 HA2 GLY 7 1HA GLY 7 13.536 -5.784 5.326
29 HA3 GLY 7 2HA GLY 7 14.117 -5.180 3.782
30 H THR 8 H THR 8 13.183 -7.893 5.142
31 HA THR 8 HA THR 8 14.809 -9.527 3.383
32 HB THR 8 HB THR 8 16.121 -9.550 5.461
33 HG1 THR 8 HG1 THR 8 15.863 -11.955 5.789
34 HG21 THR 8 3HG2 THR 8 13.662 -10.765 6.725
35 HG22 THR 8 1HG2 THR 8 14.256 -9.132 7.024
36 HG23 THR 8 2HG2 THR 8 15.228 -10.525 7.499
37 H GLY 9 H GLY 9 13.637 -11.129 2.503
38 HA2 GLY 9 1HA GLY 9 12.049 -12.925 2.664
39 HA3 GLY 9 2HA GLY 9 11.197 -12.008 3.898
40 H GLU 10 H GLU 10 9.859 -13.133 1.755
41 HA GLU 10 HA GLU 10 9.464 -11.156 -0.301
42 HB2 GLU 10 1HB GLU 10 9.199 -13.451 -0.932
43 HB3 GLU 10 2HB GLU 10 8.045 -13.735 0.364
44 HG2 GLU 10 1HG GLU 10 6.401 -12.371 -0.718
45 HG3 GLU 10 2HG GLU 10 7.561 -11.873 -1.948
46 H ASN 11 H ASN 11 8.713 -9.280 0.611
47 HA ASN 11 HA ASN 11 6.070 -9.443 1.904
48 HB2 ASN 11 1HB ASN 11 6.754 -7.232 3.000
49 HB3 ASN 11 2HB ASN 11 7.530 -8.694 3.602
50 HD21 ASN 11 1HD2 ASN 11 9.486 -8.075 4.212
51 HD22 ASN 11 2HD2 ASN 11 10.614 -7.203 3.236
52 HA PRO 12 HA PRO 12 5.573 -7.086 -2.029
53 HB2 PRO 12 1HB PRO 12 3.129 -8.125 -2.592
54 HB3 PRO 12 2HB PRO 12 4.639 -8.926 -3.040
55 HG2 PRO 12 1HG PRO 12 2.834 -9.453 -0.711
56 HG3 PRO 12 2HG PRO 12 3.645 -10.610 -1.783
57 HD2 PRO 12 1HD PRO 12 4.588 -9.998 0.681
58 HD3 PRO 12 2HD PRO 12 5.656 -10.421 -0.673
59 H TYR 13 H TYR 13 4.101 -7.179 0.998
60 HA TYR 13 HA TYR 13 2.436 -4.839 0.334
61 HB2 TYR 13 1HB TYR 13 1.896 -6.663 2.667
62 HB3 TYR 13 2HB TYR 13 0.813 -5.497 1.915
63 HD1 TYR 13 HD2 TYR 13 0.688 -6.063 -0.825
64 HD2 TYR 13 HD1 TYR 13 1.197 -8.833 2.365
65 HE1 TYR 13 HE2 TYR 13 -0.263 -7.846 -2.228
66 HE2 TYR 13 HE1 TYR 13 0.249 -10.623 0.970
67 HH TYR 13 HH TYR 13 -1.328 -9.992 -2.008
68 H GLU 14 H GLU 14 3.979 -3.300 0.815
69 HA GLU 14 HA GLU 14 4.755 -3.143 3.653
70 HB2 GLU 14 1HB GLU 14 6.660 -3.684 2.102
71 HB3 GLU 14 2HB GLU 14 6.401 -2.123 1.335
72 HG2 GLU 14 1HG GLU 14 7.105 -0.943 3.210
73 HG3 GLU 14 2HG GLU 14 6.883 -2.327 4.280
74 H CYS 15 H CYS 15 3.420 -1.646 4.467
75 HA CYS 15 HA CYS 15 2.234 0.466 3.087
76 HB2 CYS 15 1HB CYS 15 1.495 -0.402 5.303
77 HB3 CYS 15 2HB CYS 15 2.891 0.379 6.038
78 H CYS 16 H CYS 16 3.302 2.007 2.032
79 HA CYS 16 HA CYS 16 5.915 2.885 2.741
80 HB2 CYS 16 1HB CYS 16 4.909 2.893 0.416
81 HB3 CYS 16 2HB CYS 16 3.975 4.301 0.910
82 H GLU 17 H GLU 17 2.668 4.149 3.253
83 HA GLU 17 HA GLU 17 3.050 6.710 4.029
84 HB2 GLU 17 1HB GLU 17 1.298 4.578 5.226
85 HB3 GLU 17 2HB GLU 17 1.278 6.225 5.842
86 HG2 GLU 17 1HG GLU 17 -0.512 5.913 4.265
87 HG3 GLU 17 2HG GLU 17 0.674 7.042 3.611
88 H CYS 18 H CYS 18 3.226 4.000 6.347
89 HA CYS 18 HA CYS 18 4.874 5.687 8.092
90 HB2 CYS 18 1HB CYS 18 4.377 3.965 9.827
91 HB3 CYS 18 2HB CYS 18 2.938 4.754 9.190
92 H GLY 19 H GLY 19 4.811 2.520 6.515
93 HA2 GLY 19 1HA GLY 19 6.904 1.728 5.536
94 HA3 GLY 19 2HA GLY 19 7.727 2.363 6.953
95 H LYS 20 H LYS 20 4.728 0.510 6.949
96 HA LYS 20 HA LYS 20 6.076 -1.523 8.582
97 HB2 LYS 20 1HB LYS 20 3.275 -0.512 8.407
98 HB3 LYS 20 2HB LYS 20 3.523 -2.181 8.902
99 HG2 LYS 20 1HG LYS 20 4.694 -1.558 10.827
100 HG3 LYS 20 2HG LYS 20 4.969 0.082 10.235
101 HD2 LYS 20 1HD LYS 20 2.494 0.444 10.348
102 HD3 LYS 20 2HD LYS 20 2.358 -1.127 11.140
103 HE2 LYS 20 1HE LYS 20 4.078 1.124 12.165
104 HE3 LYS 20 2HE LYS 20 2.418 0.846 12.689
105 HZ1 LYS 20 3HZ LYS 20 4.753 -0.365 13.635
106 HZ2 LYS 20 1HZ LYS 20 3.826 -1.566 12.887
107 HZ3 LYS 20 2HZ LYS 20 3.159 -0.637 14.133
108 H VAL 21 H VAL 21 4.705 -3.731 8.341
109 HA VAL 21 HA VAL 21 4.410 -4.327 5.480
110 HB VAL 21 HB VAL 21 5.929 -6.104 7.391
111 HG11 VAL 21 1HG1 VAL 21 6.639 -7.005 5.014
112 HG12 VAL 21 2HG1 VAL 21 5.157 -7.554 5.799
113 HG13 VAL 21 3HG1 VAL 21 5.085 -6.315 4.546
114 HG21 VAL 21 3HG2 VAL 21 7.843 -5.424 5.744
115 HG22 VAL 21 1HG2 VAL 21 6.843 -3.993 5.489
116 HG23 VAL 21 2HG2 VAL 21 7.432 -4.380 7.105
117 H PHE 22 H PHE 22 3.212 -6.294 5.040
118 HA PHE 22 HA PHE 22 1.640 -7.345 7.270
119 HB2 PHE 22 1HB PHE 22 0.435 -6.178 4.753
120 HB3 PHE 22 2HB PHE 22 -0.458 -7.088 5.967
121 HD1 PHE 22 HD2 PHE 22 1.767 -4.111 5.680
122 HD2 PHE 22 HD1 PHE 22 -1.553 -5.932 7.623
123 HE1 PHE 22 HE2 PHE 22 1.366 -2.033 6.934
124 HE2 PHE 22 HE1 PHE 22 -1.961 -3.856 8.880
125 HZ PHE 22 HZ PHE 22 -0.499 -1.904 8.537
126 H SER 23 H SER 23 0.634 -9.373 6.839
127 HA SER 23 HA SER 23 2.170 -11.011 5.043
128 HB2 SER 23 1HB SER 23 0.020 -11.530 7.072
129 HB3 SER 23 2HB SER 23 0.474 -12.792 5.927
130 HG SER 23 HG SER 23 1.715 -12.976 7.799
131 H ARG 24 H ARG 24 -1.168 -9.866 5.234
132 HA ARG 24 HA ARG 24 -1.543 -10.752 2.450
133 HB2 ARG 24 1HB ARG 24 -3.597 -10.757 4.669
134 HB3 ARG 24 2HB ARG 24 -3.937 -11.114 2.981
135 HG2 ARG 24 1HG ARG 24 -2.467 -13.054 3.083
136 HG3 ARG 24 2HG ARG 24 -2.095 -12.688 4.769
137 HD2 ARG 24 1HD ARG 24 -4.313 -13.146 5.455
138 HD3 ARG 24 2HD ARG 24 -4.899 -13.160 3.792
139 HE ARG 24 HE ARG 24 -3.015 -15.167 3.954
140 HH11 ARG 24 1HH1 ARG 24 -6.046 -14.394 5.482
141 HH12 ARG 24 2HH1 ARG 24 -6.478 -16.048 5.760
142 HH21 ARG 24 1HH2 ARG 24 -3.572 -17.350 4.314
143 HH22 ARG 24 2HH2 ARG 24 -5.070 -17.729 5.096
144 H LYS 25 H LYS 25 -2.012 -9.169 1.078
145 HA LYS 25 HA LYS 25 -1.917 -6.532 1.451
146 HB2 LYS 25 1HB LYS 25 -2.257 -7.583 -0.747
147 HB3 LYS 25 2HB LYS 25 -3.941 -7.889 -0.342
148 HG2 LYS 25 1HG LYS 25 -4.546 -5.698 -0.592
149 HG3 LYS 25 2HG LYS 25 -2.931 -5.094 -0.215
150 HD2 LYS 25 1HD LYS 25 -2.987 -4.716 -2.474
151 HD3 LYS 25 2HD LYS 25 -2.310 -6.346 -2.450
152 HE2 LYS 25 1HE LYS 25 -5.267 -6.046 -2.544
153 HE3 LYS 25 2HE LYS 25 -4.348 -5.704 -4.009
154 HZ1 LYS 25 3HZ LYS 25 -4.293 -8.239 -2.464
155 HZ2 LYS 25 1HZ LYS 25 -3.352 -7.914 -3.832
156 HZ3 LYS 25 2HZ LYS 25 -5.036 -8.001 -3.965
157 H ASP 26 H ASP 26 -4.892 -8.432 1.858
158 HA ASP 26 HA ASP 26 -6.746 -6.531 2.398
159 HB2 ASP 26 1HB ASP 26 -6.285 -9.196 3.723
160 HB3 ASP 26 2HB ASP 26 -7.669 -8.187 4.134
161 H GLN 27 H GLN 27 -4.613 -7.948 4.883
162 HA GLN 27 HA GLN 27 -5.382 -6.350 7.009
163 HB2 GLN 27 1HB GLN 27 -2.572 -7.336 6.507
164 HB3 GLN 27 2HB GLN 27 -3.299 -6.953 8.062
165 HG2 GLN 27 1HG GLN 27 -4.885 -8.808 7.747
166 HG3 GLN 27 2HG GLN 27 -4.076 -9.213 6.234
167 HE21 GLN 27 1HE2 GLN 27 -3.211 -11.141 6.703
168 HE22 GLN 27 2HE2 GLN 27 -2.086 -11.434 7.981
169 H LEU 28 H LEU 28 -3.262 -5.630 4.333
170 HA LEU 28 HA LEU 28 -2.125 -3.270 5.472
171 HB2 LEU 28 1HB LEU 28 -1.079 -4.611 3.658
172 HB3 LEU 28 2HB LEU 28 -2.341 -4.042 2.566
173 HG LEU 28 HG LEU 28 -1.417 -1.676 3.332
174 HD11 LEU 28 1HD1 LEU 28 0.251 -2.191 4.842
175 HD12 LEU 28 2HD1 LEU 28 1.157 -1.998 3.342
176 HD13 LEU 28 3HD1 LEU 28 0.776 -3.612 3.940
177 HD21 LEU 28 3HD2 LEU 28 -1.093 -1.689 1.137
178 HD22 LEU 28 1HD2 LEU 28 -0.986 -3.450 1.120
179 HD23 LEU 28 2HD2 LEU 28 0.460 -2.481 1.408
180 H VAL 29 H VAL 29 -4.619 -3.828 2.990
181 HA VAL 29 HA VAL 29 -5.302 -1.232 2.403
182 HB VAL 29 HB VAL 29 -7.193 -3.573 2.670
183 HG11 VAL 29 1HG1 VAL 29 -7.597 -1.183 0.905
184 HG12 VAL 29 2HG1 VAL 29 -8.775 -2.386 1.434
185 HG13 VAL 29 3HG1 VAL 29 -8.158 -1.192 2.576
186 HG21 VAL 29 3HG2 VAL 29 -5.437 -2.594 0.441
187 HG22 VAL 29 1HG2 VAL 29 -5.564 -4.217 1.120
188 HG23 VAL 29 2HG2 VAL 29 -6.870 -3.573 0.126
189 H SER 30 H SER 30 -6.659 -3.255 4.999
190 HA SER 30 HA SER 30 -8.443 -1.377 6.036
191 HB2 SER 30 1HB SER 30 -8.538 -2.749 8.003
192 HB3 SER 30 2HB SER 30 -8.327 -3.828 6.624
193 HG SER 30 HG SER 30 -6.499 -4.454 7.436
194 H HIS 31 H HIS 31 -5.025 -1.926 6.733
195 HA HIS 31 HA HIS 31 -4.851 -0.071 8.873
196 HB2 HIS 31 1HB HIS 31 -3.138 -1.695 8.766
197 HB3 HIS 31 2HB HIS 31 -2.804 -1.351 7.071
198 HD1 HIS 31 HD1 HIS 31 -2.523 0.413 10.430
199 HD2 HIS 31 HD2 HIS 31 -0.691 0.300 6.703
200 HE1 HIS 31 HE1 HIS 31 -0.524 1.927 10.617
201 H GLN 32 H GLN 32 -3.556 0.180 5.555
202 HA GLN 32 HA GLN 32 -2.668 2.689 5.421
203 HB2 GLN 32 1HB GLN 32 -4.493 1.370 3.408
204 HB3 GLN 32 2HB GLN 32 -3.576 2.836 3.088
205 HG2 GLN 32 1HG GLN 32 -1.495 1.584 3.545
206 HG3 GLN 32 2HG GLN 32 -2.456 0.119 3.737
207 HE21 GLN 32 1HE2 GLN 32 -0.365 0.619 1.831
208 HE22 GLN 32 2HE2 GLN 32 -1.069 0.466 0.261
209 H LYS 33 H LYS 33 -6.119 1.863 5.188
210 HA LYS 33 HA LYS 33 -7.345 4.195 4.732
211 HB2 LYS 33 1HB LYS 33 -7.995 2.079 6.764
212 HB3 LYS 33 2HB LYS 33 -9.032 3.487 6.570
213 HG2 LYS 33 1HG LYS 33 -9.126 2.866 4.099
214 HG3 LYS 33 2HG LYS 33 -8.438 1.316 4.589
215 HD2 LYS 33 1HD LYS 33 -10.809 2.327 6.072
216 HD3 LYS 33 2HD LYS 33 -11.055 1.699 4.441
217 HE2 LYS 33 1HE LYS 33 -10.137 -0.420 5.042
218 HE3 LYS 33 2HE LYS 33 -9.593 0.194 6.602
219 HZ1 LYS 33 3HZ LYS 33 -11.572 -0.203 7.497
220 HZ2 LYS 33 1HZ LYS 33 -11.959 -1.076 6.100
221 HZ3 LYS 33 2HZ LYS 33 -12.401 0.551 6.230
222 H THR 34 H THR 34 -6.063 3.269 7.918
223 HA THR 34 HA THR 34 -6.785 5.412 9.442
224 HB THR 34 HB THR 34 -4.737 5.076 10.766
225 HG1 THR 34 HG1 THR 34 -3.395 3.221 9.860
226 HG21 THR 34 3HG2 THR 34 -6.461 2.839 9.884
227 HG22 THR 34 1HG2 THR 34 -6.196 3.497 11.498
228 HG23 THR 34 2HG2 THR 34 -5.009 2.404 10.785
229 H HIS 35 H HIS 35 -3.998 5.237 7.250
230 HA HIS 35 HA HIS 35 -3.066 7.862 7.812
231 HB2 HIS 35 1HB HIS 35 -2.563 6.101 5.404
232 HB3 HIS 35 2HB HIS 35 -1.660 7.559 5.805
233 HD1 HIS 35 HD1 HIS 35 -0.600 7.363 8.419
234 HD2 HIS 35 HD2 HIS 35 -1.291 3.885 6.254
235 HE1 HIS 35 HE1 HIS 35 0.836 5.603 9.498
236 H SER 36 H SER 36 -2.850 9.507 5.976
237 HA SER 36 HA SER 36 -5.516 9.875 4.791
238 HB2 SER 36 1HB SER 36 -4.907 12.285 4.681
239 HB3 SER 36 2HB SER 36 -4.877 11.651 6.326
240 HG SER 36 HG SER 36 -3.018 12.827 6.029
241 H GLY 37 H GLY 37 -5.373 11.377 2.756
242 HA2 GLY 37 1HA GLY 37 -4.144 9.885 0.712
243 HA3 GLY 37 2HA GLY 37 -4.841 11.488 0.527
244 H GLN 38 H GLN 38 -2.293 10.115 -0.439
245 HA GLN 38 HA GLN 38 -0.465 12.275 0.379
246 HB2 GLN 38 1HB GLN 38 0.100 9.966 1.291
247 HB3 GLN 38 2HB GLN 38 0.433 9.495 -0.370
248 HG2 GLN 38 1HG GLN 38 2.239 11.001 -0.539
249 HG3 GLN 38 2HG GLN 38 1.784 11.827 0.950
250 HE21 GLN 38 1HE2 GLN 38 2.669 11.180 2.800
251 HE22 GLN 38 2HE2 GLN 38 3.632 9.760 3.003
252 H SER 39 H SER 39 0.336 13.460 -1.231
253 HA SER 39 HA SER 39 -0.329 12.731 -3.964
254 HB2 SER 39 1HB SER 39 -0.548 15.087 -2.843
255 HB3 SER 39 2HB SER 39 1.169 15.223 -3.222
256 HG SER 39 HG SER 39 -0.153 16.037 -4.906
257 H GLY 40 H GLY 40 2.621 14.060 -2.449
258 HA2 GLY 40 1HA GLY 40 4.184 12.220 -4.151
259 HA3 GLY 40 2HA GLY 40 4.635 13.908 -3.966
260 HA PRO 41 HA PRO 41 6.259 11.010 -0.471
261 HB2 PRO 41 1HB PRO 41 8.573 10.094 -1.555
262 HB3 PRO 41 2HB PRO 41 7.043 9.218 -1.677
263 HG2 PRO 41 1HG PRO 41 8.377 10.989 -3.689
264 HG3 PRO 41 2HG PRO 41 7.570 9.429 -3.932
265 HD2 PRO 41 1HD PRO 41 6.373 11.792 -4.492
266 HD3 PRO 41 2HD PRO 41 5.467 10.374 -3.926
267 H SER 42 H SER 42 7.181 12.302 0.980
268 HA SER 42 HA SER 42 8.332 14.729 0.605
269 HB2 SER 42 1HB SER 42 9.408 14.463 2.808
270 HB3 SER 42 2HB SER 42 7.755 13.850 2.822
271 HG SER 42 HG SER 42 8.951 11.754 2.253
272 H SER 43 H SER 43 9.919 15.259 -0.743
273 HA SER 43 HA SER 43 12.362 13.609 -0.737
274 HB2 SER 43 1HB SER 43 12.702 14.191 -3.076
275 HB3 SER 43 2HB SER 43 11.106 13.470 -2.876
276 HG SER 43 HG SER 43 11.355 16.252 -2.699
277 H GLY 44 H GLY 44 14.349 14.820 -1.344
278 HA2 GLY 44 1HA GLY 44 14.698 17.523 -1.482
279 HA3 GLY 44 2HA GLY 44 14.525 17.213 0.239
Start of MODEL 16
1 H1 GLY 1 H GLY 1 33.538 -2.464 3.630
2 HA2 GLY 1 1HA GLY 1 31.588 -3.616 3.257
3 HA3 GLY 1 2HA GLY 1 32.218 -4.811 4.381
4 H SER 2 H SER 2 29.545 -3.246 3.831
5 HA SER 2 HA SER 2 29.032 -2.220 6.507
6 HB2 SER 2 1HB SER 2 28.208 -1.031 4.450
7 HB3 SER 2 2HB SER 2 27.118 -2.388 4.170
8 HG SER 2 HG SER 2 27.076 -1.221 6.697
9 H SER 3 H SER 3 29.572 -4.786 6.825
10 HA SER 3 HA SER 3 26.998 -6.204 6.916
11 HB2 SER 3 1HB SER 3 28.296 -8.258 7.142
12 HB3 SER 3 2HB SER 3 28.851 -7.353 5.734
13 HG SER 3 HG SER 3 30.130 -6.854 8.156
14 H GLY 4 H GLY 4 25.973 -5.993 8.792
15 HA2 GLY 4 1HA GLY 4 27.437 -6.518 11.262
16 HA3 GLY 4 2HA GLY 4 26.637 -4.958 11.136
17 H SER 5 H SER 5 24.276 -5.522 9.958
18 HA SER 5 HA SER 5 22.971 -7.798 11.082
19 HB2 SER 5 1HB SER 5 23.279 -6.253 13.078
20 HB3 SER 5 2HB SER 5 22.170 -5.141 12.276
21 HG SER 5 HG SER 5 20.539 -6.526 12.566
22 H SER 6 H SER 6 21.338 -8.284 9.777
23 HA SER 6 HA SER 6 19.747 -6.170 8.556
24 HB2 SER 6 1HB SER 6 20.069 -6.898 6.306
25 HB3 SER 6 2HB SER 6 21.679 -6.722 7.003
26 HG SER 6 HG SER 6 20.760 -8.826 5.823
27 H GLY 7 H GLY 7 17.662 -6.773 8.085
28 HA2 GLY 7 1HA GLY 7 16.807 -9.299 9.246
29 HA3 GLY 7 2HA GLY 7 15.765 -7.982 8.728
30 H THR 8 H THR 8 14.883 -10.373 8.076
31 HA THR 8 HA THR 8 15.307 -10.480 5.180
32 HB THR 8 HB THR 8 15.216 -12.989 5.269
33 HG1 THR 8 HG1 THR 8 15.705 -12.509 8.039
34 HG21 THR 8 3HG2 THR 8 17.546 -11.559 6.543
35 HG22 THR 8 1HG2 THR 8 17.330 -11.959 4.840
36 HG23 THR 8 2HG2 THR 8 17.601 -13.242 6.019
37 H GLY 9 H GLY 9 13.435 -10.467 4.115
38 HA2 GLY 9 1HA GLY 9 11.235 -11.890 4.184
39 HA3 GLY 9 2HA GLY 9 10.972 -10.932 5.634
40 H GLU 10 H GLU 10 11.237 -10.850 2.143
41 HA GLU 10 HA GLU 10 10.324 -8.067 2.108
42 HB2 GLU 10 1HB GLU 10 11.691 -9.849 0.152
43 HB3 GLU 10 2HB GLU 10 10.649 -8.585 -0.485
44 HG2 GLU 10 1HG GLU 10 11.950 -6.880 0.500
45 HG3 GLU 10 2HG GLU 10 12.839 -8.034 1.493
46 H ASN 11 H ASN 11 8.168 -8.356 2.703
47 HA ASN 11 HA ASN 11 6.465 -10.186 1.282
48 HB2 ASN 11 1HB ASN 11 6.063 -8.134 3.428
49 HB3 ASN 11 2HB ASN 11 4.665 -8.766 2.562
50 HD21 ASN 11 1HD2 ASN 11 6.718 -9.214 5.140
51 HD22 ASN 11 2HD2 ASN 11 6.319 -10.852 5.520
52 HA PRO 12 HA PRO 12 5.251 -7.628 -2.077
53 HB2 PRO 12 1HB PRO 12 2.725 -8.533 -2.495
54 HB3 PRO 12 2HB PRO 12 4.163 -9.471 -2.914
55 HG2 PRO 12 1HG PRO 12 2.397 -9.685 -0.507
56 HG3 PRO 12 2HG PRO 12 3.094 -10.977 -1.501
57 HD2 PRO 12 1HD PRO 12 4.150 -10.242 0.881
58 HD3 PRO 12 2HD PRO 12 5.145 -10.844 -0.460
59 H TYR 13 H TYR 13 3.901 -7.356 0.985
60 HA TYR 13 HA TYR 13 2.436 -4.929 0.185
61 HB2 TYR 13 1HB TYR 13 1.656 -6.604 2.562
62 HB3 TYR 13 2HB TYR 13 0.719 -5.356 1.749
63 HD1 TYR 13 HD2 TYR 13 0.459 -5.948 -0.924
64 HD2 TYR 13 HD1 TYR 13 0.870 -8.742 2.259
65 HE1 TYR 13 HE2 TYR 13 -0.646 -7.665 -2.296
66 HE2 TYR 13 HE1 TYR 13 -0.233 -10.467 0.896
67 HH TYR 13 HH TYR 13 -1.548 -10.774 -0.974
68 H GLU 14 H GLU 14 4.072 -3.507 0.666
69 HA GLU 14 HA GLU 14 4.793 -3.323 3.515
70 HB2 GLU 14 1HB GLU 14 6.629 -4.111 1.842
71 HB3 GLU 14 2HB GLU 14 6.672 -2.422 1.357
72 HG2 GLU 14 1HG GLU 14 7.270 -1.742 3.580
73 HG3 GLU 14 2HG GLU 14 7.072 -3.388 4.178
74 H CYS 15 H CYS 15 3.300 -1.745 3.994
75 HA CYS 15 HA CYS 15 2.468 0.413 2.575
76 HB2 CYS 15 1HB CYS 15 1.554 -0.067 4.758
77 HB3 CYS 15 2HB CYS 15 3.098 0.284 5.529
78 H CYS 16 H CYS 16 3.157 2.476 2.128
79 HA CYS 16 HA CYS 16 6.033 2.939 2.472
80 HB2 CYS 16 1HB CYS 16 5.420 3.038 0.179
81 HB3 CYS 16 2HB CYS 16 4.007 4.030 0.524
82 H GLU 17 H GLU 17 2.892 4.229 3.242
83 HA GLU 17 HA GLU 17 3.506 6.845 3.917
84 HB2 GLU 17 1HB GLU 17 1.486 4.891 4.975
85 HB3 GLU 17 2HB GLU 17 1.631 6.494 5.682
86 HG2 GLU 17 1HG GLU 17 0.951 5.822 2.832
87 HG3 GLU 17 2HG GLU 17 -0.114 6.520 4.051
88 H CYS 18 H CYS 18 3.372 4.070 6.160
89 HA CYS 18 HA CYS 18 5.121 5.565 7.990
90 HB2 CYS 18 1HB CYS 18 4.337 4.013 9.730
91 HB3 CYS 18 2HB CYS 18 2.992 4.846 8.958
92 H GLY 19 H GLY 19 4.665 2.356 6.536
93 HA2 GLY 19 1HA GLY 19 6.679 1.313 5.580
94 HA3 GLY 19 2HA GLY 19 7.540 1.861 7.010
95 H LYS 20 H LYS 20 4.322 0.448 7.027
96 HA LYS 20 HA LYS 20 5.341 -1.699 8.734
97 HB2 LYS 20 1HB LYS 20 3.260 -0.123 9.187
98 HB3 LYS 20 2HB LYS 20 2.429 -1.316 8.199
99 HG2 LYS 20 1HG LYS 20 3.068 -3.078 9.729
100 HG3 LYS 20 2HG LYS 20 3.999 -1.931 10.694
101 HD2 LYS 20 1HD LYS 20 1.796 -0.644 10.942
102 HD3 LYS 20 2HD LYS 20 1.021 -2.115 10.350
103 HE2 LYS 20 1HE LYS 20 0.960 -2.269 12.699
104 HE3 LYS 20 2HE LYS 20 2.265 -3.339 12.189
105 HZ1 LYS 20 3HZ LYS 20 3.602 -1.071 12.559
106 HZ2 LYS 20 1HZ LYS 20 3.387 -2.230 13.772
107 HZ3 LYS 20 2HZ LYS 20 2.381 -0.872 13.713
108 H VAL 21 H VAL 21 5.042 -3.863 8.293
109 HA VAL 21 HA VAL 21 4.382 -4.483 5.499
110 HB VAL 21 HB VAL 21 5.752 -6.317 7.461
111 HG11 VAL 21 1HG1 VAL 21 5.186 -6.342 4.541
112 HG12 VAL 21 2HG1 VAL 21 6.685 -7.079 5.113
113 HG13 VAL 21 3HG1 VAL 21 5.131 -7.657 5.715
114 HG21 VAL 21 3HG2 VAL 21 7.573 -5.225 5.559
115 HG22 VAL 21 1HG2 VAL 21 6.766 -3.901 6.399
116 HG23 VAL 21 2HG2 VAL 21 7.626 -5.134 7.319
117 H PHE 22 H PHE 22 3.351 -6.649 5.136
118 HA PHE 22 HA PHE 22 1.655 -7.620 7.277
119 HB2 PHE 22 1HB PHE 22 0.482 -6.420 4.759
120 HB3 PHE 22 2HB PHE 22 -0.427 -7.331 5.961
121 HD1 PHE 22 HD2 PHE 22 1.522 -4.241 5.409
122 HD2 PHE 22 HD1 PHE 22 -1.229 -6.304 7.917
123 HE1 PHE 22 HE2 PHE 22 1.124 -2.167 6.671
124 HE2 PHE 22 HE1 PHE 22 -1.633 -4.233 9.183
125 HZ PHE 22 HZ PHE 22 -0.455 -2.162 8.562
126 H SER 23 H SER 23 0.210 -9.448 6.403
127 HA SER 23 HA SER 23 1.903 -11.134 4.716
128 HB2 SER 23 1HB SER 23 0.965 -11.823 7.039
129 HB3 SER 23 2HB SER 23 -0.549 -12.088 6.174
130 HG SER 23 HG SER 23 0.248 -13.893 5.484
131 H ARG 24 H ARG 24 -1.459 -10.042 4.995
132 HA ARG 24 HA ARG 24 -1.833 -10.762 2.162
133 HB2 ARG 24 1HB ARG 24 -3.929 -10.824 4.341
134 HB3 ARG 24 2HB ARG 24 -4.188 -11.218 2.646
135 HG2 ARG 24 1HG ARG 24 -2.691 -13.124 2.843
136 HG3 ARG 24 2HG ARG 24 -2.384 -12.718 4.533
137 HD2 ARG 24 1HD ARG 24 -4.618 -13.205 5.150
138 HD3 ARG 24 2HD ARG 24 -5.141 -13.272 3.467
139 HE ARG 24 HE ARG 24 -4.007 -15.394 4.987
140 HH11 ARG 24 1HH1 ARG 24 -4.184 -14.050 1.780
141 HH12 ARG 24 2HH1 ARG 24 -3.895 -15.564 0.988
142 HH21 ARG 24 1HH2 ARG 24 -3.625 -17.393 3.956
143 HH22 ARG 24 2HH2 ARG 24 -3.578 -17.465 2.228
144 H LYS 25 H LYS 25 -2.572 -9.204 0.841
145 HA LYS 25 HA LYS 25 -2.384 -6.553 1.313
146 HB2 LYS 25 1HB LYS 25 -2.875 -7.674 -0.892
147 HB3 LYS 25 2HB LYS 25 -4.568 -7.721 -0.417
148 HG2 LYS 25 1HG LYS 25 -4.697 -5.336 -0.384
149 HG3 LYS 25 2HG LYS 25 -2.953 -5.190 -0.621
150 HD2 LYS 25 1HD LYS 25 -3.241 -6.358 -2.816
151 HD3 LYS 25 2HD LYS 25 -4.987 -6.253 -2.578
152 HE2 LYS 25 1HE LYS 25 -3.368 -3.768 -2.334
153 HE3 LYS 25 2HE LYS 25 -3.657 -4.422 -3.945
154 HZ1 LYS 25 3HZ LYS 25 -6.093 -4.483 -3.212
155 HZ2 LYS 25 1HZ LYS 25 -5.421 -2.980 -3.605
156 HZ3 LYS 25 2HZ LYS 25 -5.621 -3.420 -1.984
157 H ASP 26 H ASP 26 -5.316 -8.494 1.804
158 HA ASP 26 HA ASP 26 -7.168 -6.627 2.468
159 HB2 ASP 26 1HB ASP 26 -6.782 -9.091 4.164
160 HB3 ASP 26 2HB ASP 26 -8.290 -8.276 3.759
161 H GLN 27 H GLN 27 -4.930 -8.090 4.832
162 HA GLN 27 HA GLN 27 -5.619 -6.522 7.014
163 HB2 GLN 27 1HB GLN 27 -2.872 -7.604 6.364
164 HB3 GLN 27 2HB GLN 27 -3.449 -7.124 7.955
165 HG2 GLN 27 1HG GLN 27 -4.266 -9.487 6.305
166 HG3 GLN 27 2HG GLN 27 -3.579 -9.457 7.928
167 HE21 GLN 27 1HE2 GLN 27 -6.370 -9.764 6.158
168 HE22 GLN 27 2HE2 GLN 27 -7.523 -9.484 7.413
169 H LEU 28 H LEU 28 -3.487 -5.820 4.323
170 HA LEU 28 HA LEU 28 -2.301 -3.493 5.445
171 HB2 LEU 28 1HB LEU 28 -1.319 -4.774 3.584
172 HB3 LEU 28 2HB LEU 28 -2.646 -4.253 2.548
173 HG LEU 28 HG LEU 28 -1.736 -1.854 3.263
174 HD11 LEU 28 1HD1 LEU 28 0.039 -2.360 4.659
175 HD12 LEU 28 2HD1 LEU 28 0.833 -2.109 3.105
176 HD13 LEU 28 3HD1 LEU 28 0.541 -3.746 3.691
177 HD21 LEU 28 3HD2 LEU 28 -0.495 -3.586 1.127
178 HD22 LEU 28 1HD2 LEU 28 -0.477 -1.823 1.175
179 HD23 LEU 28 2HD2 LEU 28 -2.004 -2.684 0.979
180 H VAL 29 H VAL 29 -4.907 -3.943 3.059
181 HA VAL 29 HA VAL 29 -5.574 -1.365 2.489
182 HB VAL 29 HB VAL 29 -7.525 -3.610 3.019
183 HG11 VAL 29 1HG1 VAL 29 -9.194 -2.383 2.043
184 HG12 VAL 29 2HG1 VAL 29 -8.292 -1.096 2.847
185 HG13 VAL 29 3HG1 VAL 29 -8.071 -1.384 1.121
186 HG21 VAL 29 3HG2 VAL 29 -7.423 -3.601 0.409
187 HG22 VAL 29 1HG2 VAL 29 -5.852 -2.842 0.669
188 HG23 VAL 29 2HG2 VAL 29 -6.181 -4.440 1.339
189 H SER 30 H SER 30 -6.809 -3.237 5.257
190 HA SER 30 HA SER 30 -8.396 -1.248 6.383
191 HB2 SER 30 1HB SER 30 -8.617 -3.472 7.212
192 HB3 SER 30 2HB SER 30 -6.909 -3.557 7.639
193 HG SER 30 HG SER 30 -7.659 -2.993 9.533
194 H HIS 31 H HIS 31 -4.984 -2.019 6.996
195 HA HIS 31 HA HIS 31 -4.538 -0.073 8.969
196 HB2 HIS 31 1HB HIS 31 -2.830 -1.621 8.883
197 HB3 HIS 31 2HB HIS 31 -2.797 -1.646 7.122
198 HD1 HIS 31 HD1 HIS 31 -1.844 0.713 9.949
199 HD2 HIS 31 HD2 HIS 31 -0.745 -0.235 6.056
200 HE1 HIS 31 HE1 HIS 31 0.201 2.096 9.472
201 H GLN 32 H GLN 32 -3.650 0.033 5.512
202 HA GLN 32 HA GLN 32 -2.631 2.492 5.222
203 HB2 GLN 32 1HB GLN 32 -4.719 1.209 3.457
204 HB3 GLN 32 2HB GLN 32 -3.790 2.630 2.997
205 HG2 GLN 32 1HG GLN 32 -1.736 1.379 3.100
206 HG3 GLN 32 2HG GLN 32 -2.593 -0.038 3.704
207 HE21 GLN 32 1HE2 GLN 32 -0.947 0.288 1.314
208 HE22 GLN 32 2HE2 GLN 32 -1.952 -0.154 -0.020
209 H LYS 33 H LYS 33 -5.936 1.780 6.045
210 HA LYS 33 HA LYS 33 -7.253 4.115 5.441
211 HB2 LYS 33 1HB LYS 33 -7.540 2.415 7.924
212 HB3 LYS 33 2HB LYS 33 -8.700 3.631 7.405
213 HG2 LYS 33 1HG LYS 33 -7.948 1.448 5.523
214 HG3 LYS 33 2HG LYS 33 -9.069 1.109 6.844
215 HD2 LYS 33 1HD LYS 33 -10.533 1.738 5.189
216 HD3 LYS 33 2HD LYS 33 -10.249 3.290 5.982
217 HE2 LYS 33 1HE LYS 33 -8.976 4.094 4.253
218 HE3 LYS 33 2HE LYS 33 -8.456 2.488 3.746
219 HZ1 LYS 33 3HZ LYS 33 -9.980 3.463 2.151
220 HZ2 LYS 33 1HZ LYS 33 -11.166 3.636 3.345
221 HZ3 LYS 33 2HZ LYS 33 -10.671 2.092 2.861
222 H THR 34 H THR 34 -5.384 3.423 8.388
223 HA THR 34 HA THR 34 -5.747 5.724 9.809
224 HB THR 34 HB THR 34 -4.355 3.803 10.557
225 HG1 THR 34 HG1 THR 34 -2.850 5.148 11.685
226 HG21 THR 34 3HG2 THR 34 -2.787 3.156 9.072
227 HG22 THR 34 1HG2 THR 34 -1.799 4.397 9.839
228 HG23 THR 34 2HG2 THR 34 -2.668 4.759 8.347
229 H HIS 35 H HIS 35 -4.077 5.361 6.807
230 HA HIS 35 HA HIS 35 -2.882 8.025 7.028
231 HB2 HIS 35 1HB HIS 35 -2.576 6.044 4.767
232 HB3 HIS 35 2HB HIS 35 -1.584 7.464 5.086
233 HD1 HIS 35 HD1 HIS 35 -0.788 7.130 7.949
234 HD2 HIS 35 HD2 HIS 35 -0.981 3.932 5.303
235 HE1 HIS 35 HE1 HIS 35 0.714 5.362 8.920
236 H SER 36 H SER 36 -3.891 9.733 6.223
237 HA SER 36 HA SER 36 -5.225 9.722 3.713
238 HB2 SER 36 1HB SER 36 -6.889 8.626 5.380
239 HB3 SER 36 2HB SER 36 -7.093 10.261 6.008
240 HG SER 36 HG SER 36 -8.610 10.048 4.442
241 H GLY 37 H GLY 37 -4.796 11.661 2.909
242 HA2 GLY 37 1HA GLY 37 -5.537 14.106 3.859
243 HA3 GLY 37 2HA GLY 37 -3.976 13.826 4.617
244 H GLN 38 H GLN 38 -5.491 13.591 1.398
245 HA GLN 38 HA GLN 38 -3.356 13.607 -0.245
246 HB2 GLN 38 1HB GLN 38 -5.806 13.733 -0.884
247 HB3 GLN 38 2HB GLN 38 -5.680 15.477 -0.696
248 HG2 GLN 38 1HG GLN 38 -5.439 15.012 -2.998
249 HG3 GLN 38 2HG GLN 38 -3.838 15.433 -2.391
250 HE21 GLN 38 1HE2 GLN 38 -3.614 14.255 -4.624
251 HE22 GLN 38 2HE2 GLN 38 -3.234 12.574 -4.504
252 H SER 39 H SER 39 -4.792 16.566 1.126
253 HA SER 39 HA SER 39 -3.184 18.489 0.085
254 HB2 SER 39 1HB SER 39 -5.062 18.846 1.715
255 HB3 SER 39 2HB SER 39 -3.953 18.396 3.010
256 HG SER 39 HG SER 39 -3.479 20.446 2.983
257 H GLY 40 H GLY 40 -1.388 19.728 1.192
258 HA2 GLY 40 1HA GLY 40 0.606 19.771 2.448
259 HA3 GLY 40 2HA GLY 40 0.432 18.047 2.742
260 HA PRO 41 HA PRO 41 2.349 18.719 -1.683
261 HB2 PRO 41 1HB PRO 41 3.625 21.096 -1.990
262 HB3 PRO 41 2HB PRO 41 1.930 20.852 -2.428
263 HG2 PRO 41 1HG PRO 41 3.090 22.084 0.042
264 HG3 PRO 41 2HG PRO 41 1.712 22.623 -0.937
265 HD2 PRO 41 1HD PRO 41 1.407 21.266 1.387
266 HD3 PRO 41 2HD PRO 41 0.270 21.108 0.032
267 H SER 42 H SER 42 3.742 17.174 -0.758
268 HA SER 42 HA SER 42 6.318 18.258 0.180
269 HB2 SER 42 1HB SER 42 4.658 16.007 1.204
270 HB3 SER 42 2HB SER 42 6.410 15.804 1.233
271 HG SER 42 HG SER 42 4.884 17.856 2.457
272 H SER 43 H SER 43 7.492 18.198 -1.666
273 HA SER 43 HA SER 43 7.838 15.558 -2.922
274 HB2 SER 43 1HB SER 43 7.744 18.234 -4.334
275 HB3 SER 43 2HB SER 43 8.142 16.697 -5.101
276 HG SER 43 HG SER 43 6.026 16.830 -5.454
277 H GLY 44 H GLY 44 9.916 15.029 -3.603
278 HA2 GLY 44 1HA GLY 44 12.022 16.740 -2.455
279 HA3 GLY 44 2HA GLY 44 12.154 15.006 -2.710
Start of MODEL 17
1 H1 GLY 1 H GLY 1 25.597 5.555 11.164
2 HA2 GLY 1 1HA GLY 1 23.005 6.438 10.220
3 HA3 GLY 1 2HA GLY 1 23.591 4.965 9.463
4 H SER 2 H SER 2 21.335 5.628 11.392
5 HA SER 2 HA SER 2 22.067 3.878 13.626
6 HB2 SER 2 1HB SER 2 20.967 6.127 14.033
7 HB3 SER 2 2HB SER 2 19.508 5.454 13.306
8 HG SER 2 HG SER 2 19.517 3.861 14.938
9 H SER 3 H SER 3 20.614 2.175 14.281
10 HA SER 3 HA SER 3 20.046 0.282 12.450
11 HB2 SER 3 1HB SER 3 19.854 -0.024 14.909
12 HB3 SER 3 2HB SER 3 18.312 0.830 14.871
13 HG SER 3 HG SER 3 18.924 -1.587 13.511
14 H GLY 4 H GLY 4 18.248 -0.422 11.254
15 HA2 GLY 4 1HA GLY 4 15.931 1.329 11.050
16 HA3 GLY 4 2HA GLY 4 16.944 1.229 9.617
17 H SER 5 H SER 5 16.320 -0.204 8.158
18 HA SER 5 HA SER 5 14.731 -2.515 9.066
19 HB2 SER 5 1HB SER 5 13.711 -2.494 6.795
20 HB3 SER 5 2HB SER 5 13.395 -1.014 7.699
21 HG SER 5 HG SER 5 14.052 -0.621 5.524
22 H SER 6 H SER 6 16.037 -4.229 9.139
23 HA SER 6 HA SER 6 17.560 -4.900 6.726
24 HB2 SER 6 1HB SER 6 19.089 -3.849 8.429
25 HB3 SER 6 2HB SER 6 18.714 -5.193 9.507
26 HG SER 6 HG SER 6 19.652 -6.597 8.052
27 H GLY 7 H GLY 7 17.526 -7.027 6.189
28 HA2 GLY 7 1HA GLY 7 17.488 -9.358 7.140
29 HA3 GLY 7 2HA GLY 7 16.082 -8.816 8.046
30 H THR 8 H THR 8 16.460 -10.968 6.007
31 HA THR 8 HA THR 8 15.345 -10.393 3.552
32 HB THR 8 HB THR 8 14.656 -12.714 3.408
33 HG1 THR 8 HG1 THR 8 15.364 -13.155 6.101
34 HG21 THR 8 3HG2 THR 8 16.808 -13.212 3.135
35 HG22 THR 8 1HG2 THR 8 16.976 -13.437 4.876
36 HG23 THR 8 2HG2 THR 8 17.264 -11.852 4.160
37 H GLY 9 H GLY 9 13.116 -11.123 2.799
38 HA2 GLY 9 1HA GLY 9 10.832 -11.405 4.164
39 HA3 GLY 9 2HA GLY 9 11.154 -9.693 4.395
40 H GLU 10 H GLU 10 11.772 -8.568 2.215
41 HA GLU 10 HA GLU 10 10.655 -7.656 0.406
42 HB2 GLU 10 1HB GLU 10 11.379 -10.452 -0.479
43 HB3 GLU 10 2HB GLU 10 10.864 -9.182 -1.581
44 HG2 GLU 10 1HG GLU 10 13.262 -8.990 0.224
45 HG3 GLU 10 2HG GLU 10 13.320 -9.495 -1.463
46 H ASN 11 H ASN 11 8.676 -8.159 2.080
47 HA ASN 11 HA ASN 11 6.738 -10.021 1.130
48 HB2 ASN 11 1HB ASN 11 6.775 -7.825 3.157
49 HB3 ASN 11 2HB ASN 11 5.217 -8.441 2.614
50 HD21 ASN 11 1HD2 ASN 11 8.259 -9.304 4.125
51 HD22 ASN 11 2HD2 ASN 11 7.675 -10.718 4.928
52 HA PRO 12 HA PRO 12 4.929 -7.735 -2.166
53 HB2 PRO 12 1HB PRO 12 2.450 -8.842 -2.164
54 HB3 PRO 12 2HB PRO 12 3.882 -9.694 -2.753
55 HG2 PRO 12 1HG PRO 12 2.508 -9.908 -0.102
56 HG3 PRO 12 2HG PRO 12 3.153 -11.197 -1.135
57 HD2 PRO 12 1HD PRO 12 4.483 -10.261 1.031
58 HD3 PRO 12 2HD PRO 12 5.318 -10.860 -0.417
59 H TYR 13 H TYR 13 3.958 -7.451 1.055
60 HA TYR 13 HA TYR 13 2.344 -5.083 0.393
61 HB2 TYR 13 1HB TYR 13 1.697 -6.848 2.745
62 HB3 TYR 13 2HB TYR 13 0.705 -5.590 2.017
63 HD1 TYR 13 HD2 TYR 13 0.290 -6.084 -0.638
64 HD2 TYR 13 HD1 TYR 13 0.983 -9.002 2.380
65 HE1 TYR 13 HE2 TYR 13 -0.845 -7.774 -2.019
66 HE2 TYR 13 HE1 TYR 13 -0.149 -10.700 1.007
67 HH TYR 13 HH TYR 13 -2.131 -10.315 -1.131
68 H GLU 14 H GLU 14 3.748 -3.511 0.936
69 HA GLU 14 HA GLU 14 4.676 -3.458 3.723
70 HB2 GLU 14 1HB GLU 14 6.618 -4.099 2.486
71 HB3 GLU 14 2HB GLU 14 6.312 -2.883 1.254
72 HG2 GLU 14 1HG GLU 14 6.561 -1.219 3.249
73 HG3 GLU 14 2HG GLU 14 7.422 -2.563 3.998
74 H CYS 15 H CYS 15 3.179 -1.959 4.370
75 HA CYS 15 HA CYS 15 2.092 0.176 3.156
76 HB2 CYS 15 1HB CYS 15 1.565 -0.363 5.456
77 HB3 CYS 15 2HB CYS 15 3.184 0.094 5.975
78 H CYS 16 H CYS 16 3.134 1.431 1.723
79 HA CYS 16 HA CYS 16 5.790 2.445 2.263
80 HB2 CYS 16 1HB CYS 16 5.157 1.741 -0.013
81 HB3 CYS 16 2HB CYS 16 3.921 2.994 -0.053
82 H GLU 17 H GLU 17 3.949 3.310 4.171
83 HA GLU 17 HA GLU 17 3.855 6.195 3.588
84 HB2 GLU 17 1HB GLU 17 1.822 4.593 5.150
85 HB3 GLU 17 2HB GLU 17 1.817 6.343 4.980
86 HG2 GLU 17 1HG GLU 17 1.580 4.397 2.697
87 HG3 GLU 17 2HG GLU 17 0.224 5.204 3.483
88 H CYS 18 H CYS 18 3.933 3.733 6.146
89 HA CYS 18 HA CYS 18 5.432 5.644 7.817
90 HB2 CYS 18 1HB CYS 18 4.535 4.499 9.785
91 HB3 CYS 18 2HB CYS 18 3.230 5.104 8.769
92 H GLY 19 H GLY 19 5.008 2.196 7.056
93 HA2 GLY 19 1HA GLY 19 7.177 1.100 6.400
94 HA3 GLY 19 2HA GLY 19 7.809 1.772 7.896
95 H LYS 20 H LYS 20 4.951 -0.115 6.893
96 HA LYS 20 HA LYS 20 5.631 -2.091 8.951
97 HB2 LYS 20 1HB LYS 20 3.013 -0.646 8.625
98 HB3 LYS 20 2HB LYS 20 3.089 -2.233 9.379
99 HG2 LYS 20 1HG LYS 20 4.895 -1.143 10.891
100 HG3 LYS 20 2HG LYS 20 4.180 0.374 10.342
101 HD2 LYS 20 1HD LYS 20 2.008 -0.316 11.167
102 HD3 LYS 20 2HD LYS 20 2.656 -1.891 11.629
103 HE2 LYS 20 1HE LYS 20 4.348 -0.372 12.993
104 HE3 LYS 20 2HE LYS 20 3.005 0.767 12.912
105 HZ1 LYS 20 3HZ LYS 20 3.087 -1.896 14.183
106 HZ2 LYS 20 1HZ LYS 20 1.613 -1.188 13.746
107 HZ3 LYS 20 2HZ LYS 20 2.627 -0.413 14.856
108 H VAL 21 H VAL 21 5.571 -4.106 8.200
109 HA VAL 21 HA VAL 21 4.509 -4.582 5.531
110 HB VAL 21 HB VAL 21 5.993 -6.508 7.322
111 HG11 VAL 21 1HG1 VAL 21 6.467 -7.683 5.215
112 HG12 VAL 21 2HG1 VAL 21 4.737 -7.596 5.553
113 HG13 VAL 21 3HG1 VAL 21 5.457 -6.521 4.354
114 HG21 VAL 21 3HG2 VAL 21 6.944 -4.353 5.506
115 HG22 VAL 21 1HG2 VAL 21 7.615 -4.922 7.034
116 HG23 VAL 21 2HG2 VAL 21 7.853 -5.863 5.562
117 H PHE 22 H PHE 22 3.160 -6.429 5.065
118 HA PHE 22 HA PHE 22 1.579 -7.413 7.332
119 HB2 PHE 22 1HB PHE 22 0.467 -6.208 4.792
120 HB3 PHE 22 2HB PHE 22 -0.494 -7.119 5.952
121 HD1 PHE 22 HD2 PHE 22 1.817 -4.198 5.806
122 HD2 PHE 22 HD1 PHE 22 -1.607 -5.974 7.606
123 HE1 PHE 22 HE2 PHE 22 1.430 -2.138 7.094
124 HE2 PHE 22 HE1 PHE 22 -2.000 -3.917 8.897
125 HZ PHE 22 HZ PHE 22 -0.480 -1.996 8.643
126 H SER 23 H SER 23 0.224 -9.306 6.740
127 HA SER 23 HA SER 23 1.789 -11.130 5.129
128 HB2 SER 23 1HB SER 23 0.632 -11.607 7.419
129 HB3 SER 23 2HB SER 23 -0.814 -11.856 6.440
130 HG SER 23 HG SER 23 0.773 -13.698 6.932
131 H ARG 24 H ARG 24 -1.531 -9.871 5.143
132 HA ARG 24 HA ARG 24 -1.717 -10.588 2.294
133 HB2 ARG 24 1HB ARG 24 -3.938 -10.771 4.338
134 HB3 ARG 24 2HB ARG 24 -4.104 -11.083 2.615
135 HG2 ARG 24 1HG ARG 24 -2.662 -12.998 2.767
136 HG3 ARG 24 2HG ARG 24 -2.309 -12.643 4.459
137 HD2 ARG 24 1HD ARG 24 -4.892 -12.807 4.746
138 HD3 ARG 24 2HD ARG 24 -4.821 -13.691 3.222
139 HE ARG 24 HE ARG 24 -2.940 -14.717 5.081
140 HH11 ARG 24 1HH1 ARG 24 -6.337 -14.681 4.322
141 HH12 ARG 24 2HH1 ARG 24 -6.652 -16.216 5.061
142 HH21 ARG 24 1HH2 ARG 24 -3.341 -16.739 6.057
143 HH22 ARG 24 2HH2 ARG 24 -4.947 -17.385 6.049
144 H LYS 25 H LYS 25 -2.383 -9.007 0.964
145 HA LYS 25 HA LYS 25 -2.270 -6.382 1.432
146 HB2 LYS 25 1HB LYS 25 -2.827 -7.591 -0.757
147 HB3 LYS 25 2HB LYS 25 -4.511 -7.457 -0.270
148 HG2 LYS 25 1HG LYS 25 -4.176 -5.631 -1.669
149 HG3 LYS 25 2HG LYS 25 -4.055 -4.950 -0.045
150 HD2 LYS 25 1HD LYS 25 -1.720 -4.773 -0.173
151 HD3 LYS 25 2HD LYS 25 -1.625 -5.875 -1.549
152 HE2 LYS 25 1HE LYS 25 -2.999 -3.199 -1.673
153 HE3 LYS 25 2HE LYS 25 -1.294 -3.422 -2.062
154 HZ1 LYS 25 3HZ LYS 25 -3.400 -3.713 -3.781
155 HZ2 LYS 25 1HZ LYS 25 -2.952 -5.304 -3.422
156 HZ3 LYS 25 2HZ LYS 25 -1.811 -4.226 -4.052
157 H ASP 26 H ASP 26 -5.293 -8.238 1.765
158 HA ASP 26 HA ASP 26 -7.108 -6.412 2.488
159 HB2 ASP 26 1HB ASP 26 -7.357 -8.937 2.544
160 HB3 ASP 26 2HB ASP 26 -6.696 -8.881 4.176
161 H GLN 27 H GLN 27 -4.898 -7.862 4.888
162 HA GLN 27 HA GLN 27 -5.593 -6.237 7.033
163 HB2 GLN 27 1HB GLN 27 -2.871 -7.417 6.451
164 HB3 GLN 27 2HB GLN 27 -3.453 -6.878 8.021
165 HG2 GLN 27 1HG GLN 27 -4.331 -9.253 6.419
166 HG3 GLN 27 2HG GLN 27 -3.653 -9.208 8.045
167 HE21 GLN 27 1HE2 GLN 27 -6.242 -10.207 6.795
168 HE22 GLN 27 2HE2 GLN 27 -7.470 -9.571 7.830
169 H LEU 28 H LEU 28 -3.347 -5.669 4.394
170 HA LEU 28 HA LEU 28 -2.137 -3.347 5.487
171 HB2 LEU 28 1HB LEU 28 -1.109 -4.662 3.703
172 HB3 LEU 28 2HB LEU 28 -2.422 -4.216 2.614
173 HG LEU 28 HG LEU 28 -1.557 -1.769 3.214
174 HD11 LEU 28 1HD1 LEU 28 0.181 -2.267 4.705
175 HD12 LEU 28 2HD1 LEU 28 0.984 -1.918 3.175
176 HD13 LEU 28 3HD1 LEU 28 0.780 -3.588 3.702
177 HD21 LEU 28 3HD2 LEU 28 -0.498 -3.702 1.172
178 HD22 LEU 28 1HD2 LEU 28 -0.044 -1.998 1.186
179 HD23 LEU 28 2HD2 LEU 28 -1.734 -2.458 0.972
180 H VAL 29 H VAL 29 -4.878 -3.870 3.314
181 HA VAL 29 HA VAL 29 -5.384 -1.190 2.665
182 HB VAL 29 HB VAL 29 -7.276 -3.535 2.855
183 HG11 VAL 29 1HG1 VAL 29 -8.894 -2.241 1.644
184 HG12 VAL 29 2HG1 VAL 29 -8.438 -1.347 3.096
185 HG13 VAL 29 3HG1 VAL 29 -7.782 -0.877 1.527
186 HG21 VAL 29 3HG2 VAL 29 -5.529 -3.792 1.185
187 HG22 VAL 29 1HG2 VAL 29 -7.089 -3.528 0.405
188 HG23 VAL 29 2HG2 VAL 29 -5.919 -2.212 0.506
189 H SER 30 H SER 30 -6.579 -3.199 5.329
190 HA SER 30 HA SER 30 -8.369 -1.322 6.411
191 HB2 SER 30 1HB SER 30 -8.298 -3.757 6.993
192 HB3 SER 30 2HB SER 30 -6.836 -3.446 7.928
193 HG SER 30 HG SER 30 -8.469 -3.296 9.372
194 H HIS 31 H HIS 31 -4.943 -1.493 6.462
195 HA HIS 31 HA HIS 31 -4.702 0.287 8.757
196 HB2 HIS 31 1HB HIS 31 -3.033 -1.380 8.754
197 HB3 HIS 31 2HB HIS 31 -2.712 -1.175 7.034
198 HD1 HIS 31 HD1 HIS 31 -2.411 0.937 10.192
199 HD2 HIS 31 HD2 HIS 31 -0.479 0.269 6.574
200 HE1 HIS 31 HE1 HIS 31 -0.347 2.372 10.256
201 H GLN 32 H GLN 32 -3.837 0.271 5.304
202 HA GLN 32 HA GLN 32 -2.786 2.811 5.089
203 HB2 GLN 32 1HB GLN 32 -4.377 1.154 3.144
204 HB3 GLN 32 2HB GLN 32 -3.718 2.724 2.703
205 HG2 GLN 32 1HG GLN 32 -1.495 1.644 3.647
206 HG3 GLN 32 2HG GLN 32 -2.332 0.155 3.211
207 HE21 GLN 32 1HE2 GLN 32 -1.564 -0.541 1.354
208 HE22 GLN 32 2HE2 GLN 32 -1.263 0.420 -0.049
209 H LYS 33 H LYS 33 -6.037 1.877 5.680
210 HA LYS 33 HA LYS 33 -7.363 4.177 4.699
211 HB2 LYS 33 1HB LYS 33 -8.110 2.169 6.827
212 HB3 LYS 33 2HB LYS 33 -9.182 3.463 6.309
213 HG2 LYS 33 1HG LYS 33 -9.519 2.531 4.225
214 HG3 LYS 33 2HG LYS 33 -8.029 1.588 4.291
215 HD2 LYS 33 1HD LYS 33 -9.540 -0.076 4.684
216 HD3 LYS 33 2HD LYS 33 -9.271 0.461 6.344
217 HE2 LYS 33 1HE LYS 33 -11.285 1.681 6.382
218 HE3 LYS 33 2HE LYS 33 -11.460 1.601 4.630
219 HZ1 LYS 33 3HZ LYS 33 -12.113 -0.607 4.717
220 HZ2 LYS 33 1HZ LYS 33 -12.887 0.061 6.065
221 HZ3 LYS 33 2HZ LYS 33 -11.479 -0.855 6.266
222 H THR 34 H THR 34 -5.901 3.379 7.807
223 HA THR 34 HA THR 34 -6.838 5.636 9.224
224 HB THR 34 HB THR 34 -5.844 3.566 10.260
225 HG1 THR 34 HG1 THR 34 -5.001 6.179 10.965
226 HG21 THR 34 3HG2 THR 34 -3.799 2.948 9.619
227 HG22 THR 34 1HG2 THR 34 -3.164 4.353 10.474
228 HG23 THR 34 2HG2 THR 34 -3.555 4.467 8.758
229 H HIS 35 H HIS 35 -4.342 5.229 6.888
230 HA HIS 35 HA HIS 35 -2.866 7.589 7.649
231 HB2 HIS 35 1HB HIS 35 -2.685 5.628 5.380
232 HB3 HIS 35 2HB HIS 35 -1.778 7.136 5.334
233 HD1 HIS 35 HD1 HIS 35 -0.630 7.388 8.062
234 HD2 HIS 35 HD2 HIS 35 -0.931 3.723 6.129
235 HE1 HIS 35 HE1 HIS 35 1.083 5.908 9.157
236 H SER 36 H SER 36 -3.548 9.573 7.229
237 HA SER 36 HA SER 36 -5.705 10.124 5.459
238 HB2 SER 36 1HB SER 36 -3.762 11.976 6.859
239 HB3 SER 36 2HB SER 36 -5.191 12.514 5.976
240 HG SER 36 HG SER 36 -5.115 10.863 8.282
241 H GLY 37 H GLY 37 -2.387 11.443 5.370
242 HA2 GLY 37 1HA GLY 37 -1.337 10.781 3.064
243 HA3 GLY 37 2HA GLY 37 -2.666 11.765 2.470
244 H GLN 38 H GLN 38 -2.439 13.567 4.838
245 HA GLN 38 HA GLN 38 -0.388 15.286 3.716
246 HB2 GLN 38 1HB GLN 38 -2.582 15.680 5.733
247 HB3 GLN 38 2HB GLN 38 -1.318 16.884 5.521
248 HG2 GLN 38 1HG GLN 38 -3.164 17.565 4.211
249 HG3 GLN 38 2HG GLN 38 -1.928 16.976 3.100
250 HE21 GLN 38 1HE2 GLN 38 -2.817 15.950 1.470
251 HE22 GLN 38 2HE2 GLN 38 -4.161 14.868 1.552
252 H SER 39 H SER 39 0.907 13.208 4.756
253 HA SER 39 HA SER 39 1.996 14.226 7.299
254 HB2 SER 39 1HB SER 39 2.592 11.883 7.853
255 HB3 SER 39 2HB SER 39 0.852 12.105 7.675
256 HG SER 39 HG SER 39 0.932 11.115 5.700
257 H GLY 40 H GLY 40 3.552 15.483 6.210
258 HA2 GLY 40 1HA GLY 40 5.927 13.998 5.494
259 HA3 GLY 40 2HA GLY 40 5.216 14.896 4.161
260 HA PRO 41 HA PRO 41 7.516 18.421 5.397
261 HB2 PRO 41 1HB PRO 41 5.942 20.395 4.398
262 HB3 PRO 41 2HB PRO 41 6.930 19.344 3.376
263 HG2 PRO 41 1HG PRO 41 4.006 19.178 4.000
264 HG3 PRO 41 2HG PRO 41 4.833 18.961 2.446
265 HD2 PRO 41 1HD PRO 41 4.004 16.874 3.958
266 HD3 PRO 41 2HD PRO 41 5.452 16.795 2.933
267 H SER 42 H SER 42 7.201 18.147 7.686
268 HA SER 42 HA SER 42 5.004 19.718 8.841
269 HB2 SER 42 1HB SER 42 5.587 18.558 10.968
270 HB3 SER 42 2HB SER 42 5.131 17.443 9.681
271 HG SER 42 HG SER 42 7.384 17.116 9.309
272 H SER 43 H SER 43 7.066 21.164 7.683
273 HA SER 43 HA SER 43 9.093 21.897 9.527
274 HB2 SER 43 1HB SER 43 9.372 22.309 7.143
275 HB3 SER 43 2HB SER 43 7.977 23.388 7.139
276 HG SER 43 HG SER 43 9.138 24.921 8.053
277 H GLY 44 H GLY 44 9.110 23.342 11.147
278 HA2 GLY 44 1HA GLY 44 6.882 25.244 11.372
279 HA3 GLY 44 2HA GLY 44 7.203 24.154 12.713
Start of MODEL 18
1 H1 GLY 1 H GLY 1 25.986 4.280 0.920
2 HA2 GLY 1 1HA GLY 1 24.861 3.021 -0.660
3 HA3 GLY 1 2HA GLY 1 24.891 1.665 0.458
4 H SER 2 H SER 2 23.305 4.812 -0.029
5 HA SER 2 HA SER 2 21.152 4.400 1.697
6 HB2 SER 2 1HB SER 2 21.503 6.101 -0.761
7 HB3 SER 2 2HB SER 2 19.969 6.062 0.108
8 HG SER 2 HG SER 2 21.597 6.438 1.999
9 H SER 3 H SER 3 21.495 3.640 -1.747
10 HA SER 3 HA SER 3 18.922 2.230 -1.666
11 HB2 SER 3 1HB SER 3 18.990 3.753 -3.492
12 HB3 SER 3 2HB SER 3 20.616 3.247 -3.949
13 HG SER 3 HG SER 3 18.368 1.523 -4.010
14 H GLY 4 H GLY 4 19.777 0.434 -0.476
15 HA2 GLY 4 1HA GLY 4 21.679 -1.247 -1.967
16 HA3 GLY 4 2HA GLY 4 21.321 -1.392 -0.253
17 H SER 5 H SER 5 18.903 -1.883 0.178
18 HA SER 5 HA SER 5 17.221 -3.410 0.067
19 HB2 SER 5 1HB SER 5 16.811 -2.087 -2.079
20 HB3 SER 5 2HB SER 5 17.602 -3.415 -2.928
21 HG SER 5 HG SER 5 15.153 -3.374 -1.563
22 H SER 6 H SER 6 19.753 -4.431 0.571
23 HA SER 6 HA SER 6 20.878 -6.404 -0.836
24 HB2 SER 6 1HB SER 6 21.139 -5.728 1.697
25 HB3 SER 6 2HB SER 6 20.089 -7.120 1.964
26 HG SER 6 HG SER 6 21.785 -8.310 1.697
27 H GLY 7 H GLY 7 17.855 -6.810 0.998
28 HA2 GLY 7 1HA GLY 7 16.023 -8.058 0.051
29 HA3 GLY 7 2HA GLY 7 17.197 -9.059 -0.790
30 H THR 8 H THR 8 16.284 -8.144 2.531
31 HA THR 8 HA THR 8 16.835 -10.926 3.335
32 HB THR 8 HB THR 8 17.185 -10.083 5.622
33 HG1 THR 8 HG1 THR 8 16.702 -8.080 6.109
34 HG21 THR 8 3HG2 THR 8 19.004 -10.164 3.745
35 HG22 THR 8 1HG2 THR 8 19.368 -9.395 5.289
36 HG23 THR 8 2HG2 THR 8 18.953 -8.408 3.887
37 H GLY 9 H GLY 9 14.369 -10.202 2.176
38 HA2 GLY 9 1HA GLY 9 12.394 -11.408 3.262
39 HA3 GLY 9 2HA GLY 9 12.544 -10.162 4.491
40 H GLU 10 H GLU 10 11.769 -10.779 1.116
41 HA GLU 10 HA GLU 10 10.754 -8.075 0.767
42 HB2 GLU 10 1HB GLU 10 12.015 -9.595 -0.983
43 HB3 GLU 10 2HB GLU 10 10.399 -10.221 -1.282
44 HG2 GLU 10 1HG GLU 10 10.628 -8.542 -2.856
45 HG3 GLU 10 2HG GLU 10 9.716 -7.765 -1.563
46 H ASN 11 H ASN 11 8.848 -7.707 1.718
47 HA ASN 11 HA ASN 11 6.827 -9.779 1.871
48 HB2 ASN 11 1HB ASN 11 5.556 -7.663 2.890
49 HB3 ASN 11 2HB ASN 11 6.721 -8.594 3.827
50 HD21 ASN 11 1HD2 ASN 11 6.704 -5.921 1.490
51 HD22 ASN 11 2HD2 ASN 11 7.841 -4.942 2.347
52 HA PRO 12 HA PRO 12 4.607 -8.619 -1.747
53 HB2 PRO 12 1HB PRO 12 2.145 -9.539 -1.066
54 HB3 PRO 12 2HB PRO 12 3.480 -10.608 -1.513
55 HG2 PRO 12 1HG PRO 12 2.475 -9.868 1.208
56 HG3 PRO 12 2HG PRO 12 2.968 -11.456 0.591
57 HD2 PRO 12 1HD PRO 12 4.583 -9.927 2.137
58 HD3 PRO 12 2HD PRO 12 5.212 -11.010 0.878
59 H TYR 13 H TYR 13 3.759 -7.452 1.394
60 HA TYR 13 HA TYR 13 2.462 -5.132 0.160
61 HB2 TYR 13 1HB TYR 13 1.359 -6.467 2.634
62 HB3 TYR 13 2HB TYR 13 0.650 -5.133 1.731
63 HD1 TYR 13 HD2 TYR 13 -0.143 -5.593 -0.649
64 HD2 TYR 13 HD1 TYR 13 0.823 -8.688 2.107
65 HE1 TYR 13 HE2 TYR 13 -1.440 -7.190 -1.997
66 HE2 TYR 13 HE1 TYR 13 -0.470 -10.294 0.766
67 HH TYR 13 HH TYR 13 -2.034 -9.315 -2.268
68 H GLU 14 H GLU 14 3.639 -3.431 0.715
69 HA GLU 14 HA GLU 14 4.609 -3.236 3.486
70 HB2 GLU 14 1HB GLU 14 6.373 -3.784 1.660
71 HB3 GLU 14 2HB GLU 14 6.175 -2.102 1.189
72 HG2 GLU 14 1HG GLU 14 7.013 -1.310 3.220
73 HG3 GLU 14 2HG GLU 14 6.807 -2.870 4.013
74 H CYS 15 H CYS 15 3.888 -1.486 4.487
75 HA CYS 15 HA CYS 15 2.527 0.583 2.998
76 HB2 CYS 15 1HB CYS 15 1.619 -0.298 5.132
77 HB3 CYS 15 2HB CYS 15 3.019 0.357 5.974
78 H CYS 16 H CYS 16 4.088 1.714 1.874
79 HA CYS 16 HA CYS 16 6.527 2.620 2.937
80 HB2 CYS 16 1HB CYS 16 4.845 3.496 0.600
81 HB3 CYS 16 2HB CYS 16 6.339 4.332 1.015
82 H GLU 17 H GLU 17 3.296 3.955 3.008
83 HA GLU 17 HA GLU 17 3.650 6.586 3.575
84 HB2 GLU 17 1HB GLU 17 1.746 4.608 4.817
85 HB3 GLU 17 2HB GLU 17 1.674 6.328 5.174
86 HG2 GLU 17 1HG GLU 17 0.896 6.873 3.104
87 HG3 GLU 17 2HG GLU 17 1.672 5.494 2.327
88 H CYS 18 H CYS 18 3.666 4.013 6.046
89 HA CYS 18 HA CYS 18 5.186 5.829 7.796
90 HB2 CYS 18 1HB CYS 18 4.276 4.688 9.684
91 HB3 CYS 18 2HB CYS 18 2.931 5.022 8.598
92 H GLY 19 H GLY 19 4.926 2.463 6.705
93 HA2 GLY 19 1HA GLY 19 7.095 1.461 6.011
94 HA3 GLY 19 2HA GLY 19 7.745 2.095 7.516
95 H LYS 20 H LYS 20 4.749 0.326 6.762
96 HA LYS 20 HA LYS 20 5.521 -1.638 8.818
97 HB2 LYS 20 1HB LYS 20 2.922 -0.394 8.079
98 HB3 LYS 20 2HB LYS 20 2.892 -2.074 8.601
99 HG2 LYS 20 1HG LYS 20 4.388 -0.126 10.267
100 HG3 LYS 20 2HG LYS 20 2.624 -0.077 10.303
101 HD2 LYS 20 1HD LYS 20 2.991 -1.589 11.974
102 HD3 LYS 20 2HD LYS 20 2.926 -2.693 10.598
103 HE2 LYS 20 1HE LYS 20 4.831 -3.136 12.114
104 HE3 LYS 20 2HE LYS 20 5.330 -2.749 10.468
105 HZ1 LYS 20 3HZ LYS 20 5.178 -0.380 11.982
106 HZ2 LYS 20 1HZ LYS 20 6.529 -1.074 11.236
107 HZ3 LYS 20 2HZ LYS 20 6.124 -1.504 12.821
108 H VAL 21 H VAL 21 4.359 -3.818 8.447
109 HA VAL 21 HA VAL 21 4.301 -4.508 5.594
110 HB VAL 21 HB VAL 21 5.725 -6.208 7.639
111 HG11 VAL 21 1HG1 VAL 21 6.643 -7.287 5.578
112 HG12 VAL 21 2HG1 VAL 21 4.907 -7.502 5.805
113 HG13 VAL 21 3HG1 VAL 21 5.505 -6.324 4.636
114 HG21 VAL 21 3HG2 VAL 21 6.636 -3.841 6.252
115 HG22 VAL 21 1HG2 VAL 21 7.433 -4.785 7.511
116 HG23 VAL 21 2HG2 VAL 21 7.601 -5.252 5.819
117 H PHE 22 H PHE 22 3.140 -6.447 5.099
118 HA PHE 22 HA PHE 22 1.556 -7.628 7.244
119 HB2 PHE 22 1HB PHE 22 0.345 -6.284 4.820
120 HB3 PHE 22 2HB PHE 22 -0.544 -7.329 5.924
121 HD1 PHE 22 HD2 PHE 22 1.091 -4.078 5.517
122 HD2 PHE 22 HD1 PHE 22 -1.176 -6.574 8.114
123 HE1 PHE 22 HE2 PHE 22 0.615 -2.141 6.958
124 HE2 PHE 22 HE1 PHE 22 -1.657 -4.641 9.559
125 HZ PHE 22 HZ PHE 22 -0.759 -2.421 8.982
126 H SER 23 H SER 23 0.140 -9.443 6.309
127 HA SER 23 HA SER 23 1.835 -11.004 4.506
128 HB2 SER 23 1HB SER 23 -0.377 -11.776 6.413
129 HB3 SER 23 2HB SER 23 0.347 -12.915 5.278
130 HG SER 23 HG SER 23 1.969 -13.104 6.586
131 H ARG 24 H ARG 24 -1.542 -10.005 4.913
132 HA ARG 24 HA ARG 24 -1.976 -10.625 2.064
133 HB2 ARG 24 1HB ARG 24 -4.027 -10.752 4.282
134 HB3 ARG 24 2HB ARG 24 -4.309 -11.120 2.586
135 HG2 ARG 24 1HG ARG 24 -3.198 -13.127 2.693
136 HG3 ARG 24 2HG ARG 24 -2.218 -12.631 4.075
137 HD2 ARG 24 1HD ARG 24 -4.418 -12.596 5.383
138 HD3 ARG 24 2HD ARG 24 -5.094 -13.495 4.025
139 HE ARG 24 HE ARG 24 -3.329 -14.494 6.051
140 HH11 ARG 24 1HH1 ARG 24 -4.402 -14.894 2.764
141 HH12 ARG 24 2HH1 ARG 24 -3.975 -16.571 2.691
142 HH21 ARG 24 1HH2 ARG 24 -2.762 -16.702 5.968
143 HH22 ARG 24 2HH2 ARG 24 -3.044 -17.599 4.514
144 H LYS 25 H LYS 25 -2.905 -9.081 0.812
145 HA LYS 25 HA LYS 25 -2.656 -6.432 1.290
146 HB2 LYS 25 1HB LYS 25 -3.469 -7.722 -0.832
147 HB3 LYS 25 2HB LYS 25 -5.077 -7.362 -0.215
148 HG2 LYS 25 1HG LYS 25 -4.778 -5.055 -0.453
149 HG3 LYS 25 2HG LYS 25 -3.026 -5.210 -0.601
150 HD2 LYS 25 1HD LYS 25 -3.793 -4.788 -2.785
151 HD3 LYS 25 2HD LYS 25 -3.484 -6.526 -2.734
152 HE2 LYS 25 1HE LYS 25 -5.781 -7.031 -2.590
153 HE3 LYS 25 2HE LYS 25 -6.203 -5.366 -2.193
154 HZ1 LYS 25 3HZ LYS 25 -6.787 -5.677 -4.433
155 HZ2 LYS 25 1HZ LYS 25 -5.325 -6.443 -4.807
156 HZ3 LYS 25 2HZ LYS 25 -5.349 -4.786 -4.472
157 H ASP 26 H ASP 26 -5.647 -8.283 1.855
158 HA ASP 26 HA ASP 26 -7.378 -6.433 2.743
159 HB2 ASP 26 1HB ASP 26 -7.992 -8.210 4.578
160 HB3 ASP 26 2HB ASP 26 -8.220 -8.582 2.872
161 H GLN 27 H GLN 27 -4.984 -7.970 4.898
162 HA GLN 27 HA GLN 27 -5.496 -6.415 7.150
163 HB2 GLN 27 1HB GLN 27 -2.836 -7.587 6.321
164 HB3 GLN 27 2HB GLN 27 -3.303 -7.116 7.950
165 HG2 GLN 27 1HG GLN 27 -4.284 -9.424 6.314
166 HG3 GLN 27 2HG GLN 27 -3.523 -9.438 7.904
167 HE21 GLN 27 1HE2 GLN 27 -6.040 -10.616 7.038
168 HE22 GLN 27 2HE2 GLN 27 -7.264 -9.933 8.048
169 H LEU 28 H LEU 28 -3.533 -5.756 4.327
170 HA LEU 28 HA LEU 28 -2.195 -3.483 5.403
171 HB2 LEU 28 1HB LEU 28 -1.337 -4.779 3.500
172 HB3 LEU 28 2HB LEU 28 -2.704 -4.236 2.528
173 HG LEU 28 HG LEU 28 -1.711 -1.852 3.180
174 HD11 LEU 28 1HD1 LEU 28 0.512 -3.795 3.583
175 HD12 LEU 28 2HD1 LEU 28 0.136 -2.312 4.460
176 HD13 LEU 28 3HD1 LEU 28 0.859 -2.226 2.854
177 HD21 LEU 28 3HD2 LEU 28 -0.599 -3.616 0.999
178 HD22 LEU 28 1HD2 LEU 28 -0.570 -1.853 1.031
179 HD23 LEU 28 2HD2 LEU 28 -2.109 -2.707 0.918
180 H VAL 29 H VAL 29 -4.932 -3.840 3.152
181 HA VAL 29 HA VAL 29 -5.550 -1.259 2.589
182 HB VAL 29 HB VAL 29 -7.504 -3.454 3.285
183 HG11 VAL 29 1HG1 VAL 29 -7.998 -0.877 1.798
184 HG12 VAL 29 2HG1 VAL 29 -9.170 -2.168 2.068
185 HG13 VAL 29 3HG1 VAL 29 -8.550 -1.239 3.433
186 HG21 VAL 29 3HG2 VAL 29 -5.790 -3.681 1.353
187 HG22 VAL 29 1HG2 VAL 29 -7.485 -4.060 1.048
188 HG23 VAL 29 2HG2 VAL 29 -6.820 -2.511 0.528
189 H SER 30 H SER 30 -6.824 -3.014 5.424
190 HA SER 30 HA SER 30 -8.159 -0.896 6.615
191 HB2 SER 30 1HB SER 30 -8.169 -3.368 7.281
192 HB3 SER 30 2HB SER 30 -6.705 -3.014 8.198
193 HG SER 30 HG SER 30 -8.358 -2.719 9.606
194 H HIS 31 H HIS 31 -4.755 -1.739 6.702
195 HA HIS 31 HA HIS 31 -4.043 0.085 8.772
196 HB2 HIS 31 1HB HIS 31 -2.643 -1.851 8.227
197 HB3 HIS 31 2HB HIS 31 -2.332 -1.188 6.625
198 HD1 HIS 31 HD1 HIS 31 -1.760 -0.223 10.258
199 HD2 HIS 31 HD2 HIS 31 -0.091 0.327 6.494
200 HE1 HIS 31 HE1 HIS 31 0.381 1.038 10.650
201 H GLN 32 H GLN 32 -3.836 0.203 5.227
202 HA GLN 32 HA GLN 32 -2.753 2.839 5.160
203 HB2 GLN 32 1HB GLN 32 -4.088 1.165 3.029
204 HB3 GLN 32 2HB GLN 32 -3.338 2.726 2.724
205 HG2 GLN 32 1HG GLN 32 -1.206 1.758 3.635
206 HG3 GLN 32 2HG GLN 32 -2.006 0.188 3.620
207 HE21 GLN 32 1HE2 GLN 32 0.170 0.251 2.199
208 HE22 GLN 32 2HE2 GLN 32 -0.144 0.363 0.504
209 H LYS 33 H LYS 33 -5.869 1.614 5.686
210 HA LYS 33 HA LYS 33 -7.368 3.778 4.569
211 HB2 LYS 33 1HB LYS 33 -7.978 1.465 6.364
212 HB3 LYS 33 2HB LYS 33 -9.138 2.782 6.247
213 HG2 LYS 33 1HG LYS 33 -9.246 2.457 3.819
214 HG3 LYS 33 2HG LYS 33 -8.110 1.114 3.960
215 HD2 LYS 33 1HD LYS 33 -10.175 0.049 3.912
216 HD3 LYS 33 2HD LYS 33 -9.821 0.146 5.638
217 HE2 LYS 33 1HE LYS 33 -11.388 1.804 5.999
218 HE3 LYS 33 2HE LYS 33 -11.363 2.338 4.319
219 HZ1 LYS 33 3HZ LYS 33 -13.351 1.232 4.430
220 HZ2 LYS 33 1HZ LYS 33 -12.789 0.069 5.524
221 HZ3 LYS 33 2HZ LYS 33 -12.339 -0.014 3.896
222 H THR 34 H THR 34 -5.709 3.219 7.550
223 HA THR 34 HA THR 34 -6.992 5.549 8.790
224 HB THR 34 HB THR 34 -6.903 3.523 10.171
225 HG1 THR 34 HG1 THR 34 -6.371 5.863 10.940
226 HG21 THR 34 3HG2 THR 34 -4.661 2.801 11.046
227 HG22 THR 34 1HG2 THR 34 -3.923 3.791 9.788
228 HG23 THR 34 2HG2 THR 34 -4.947 2.424 9.348
229 H HIS 35 H HIS 35 -4.963 5.632 6.605
230 HA HIS 35 HA HIS 35 -2.871 7.151 8.019
231 HB2 HIS 35 1HB HIS 35 -2.767 5.336 5.660
232 HB3 HIS 35 2HB HIS 35 -1.693 6.732 5.663
233 HD1 HIS 35 HD1 HIS 35 -0.309 6.902 8.117
234 HD2 HIS 35 HD2 HIS 35 -1.611 3.185 6.795
235 HE1 HIS 35 HE1 HIS 35 1.090 5.219 9.356
236 H SER 36 H SER 36 -5.312 8.347 7.444
237 HA SER 36 HA SER 36 -6.353 9.997 6.216
238 HB2 SER 36 1HB SER 36 -4.671 11.149 7.673
239 HB3 SER 36 2HB SER 36 -3.554 11.147 6.308
240 HG SER 36 HG SER 36 -5.258 12.304 5.151
241 H GLY 37 H GLY 37 -5.684 7.939 4.496
242 HA2 GLY 37 1HA GLY 37 -4.606 9.326 2.126
243 HA3 GLY 37 2HA GLY 37 -4.608 7.583 2.353
244 H GLN 38 H GLN 38 -5.536 8.377 0.017
245 HA GLN 38 HA GLN 38 -8.375 8.870 0.076
246 HB2 GLN 38 1HB GLN 38 -6.722 9.674 -1.710
247 HB3 GLN 38 2HB GLN 38 -6.775 8.030 -2.333
248 HG2 GLN 38 1HG GLN 38 -9.308 9.548 -1.903
249 HG3 GLN 38 2HG GLN 38 -8.326 9.844 -3.336
250 HE21 GLN 38 1HE2 GLN 38 -10.605 9.043 -4.064
251 HE22 GLN 38 2HE2 GLN 38 -10.689 7.358 -4.435
252 H SER 39 H SER 39 -10.012 7.450 -0.405
253 HA SER 39 HA SER 39 -9.410 4.654 0.037
254 HB2 SER 39 1HB SER 39 -11.343 5.705 1.153
255 HB3 SER 39 2HB SER 39 -12.071 6.027 -0.420
256 HG SER 39 HG SER 39 -11.673 3.565 0.886
257 H GLY 40 H GLY 40 -8.363 3.960 -1.822
258 HA2 GLY 40 1HA GLY 40 -9.536 2.636 -3.772
259 HA3 GLY 40 2HA GLY 40 -9.743 4.270 -4.384
260 HA PRO 41 HA PRO 41 -5.686 2.528 -5.897
261 HB2 PRO 41 1HB PRO 41 -6.152 3.029 -8.524
262 HB3 PRO 41 2HB PRO 41 -6.651 1.531 -7.729
263 HG2 PRO 41 1HG PRO 41 -8.269 3.968 -8.366
264 HG3 PRO 41 2HG PRO 41 -8.702 2.258 -8.548
265 HD2 PRO 41 1HD PRO 41 -9.553 3.762 -6.463
266 HD3 PRO 41 2HD PRO 41 -9.227 2.023 -6.316
267 H SER 42 H SER 42 -4.125 3.712 -7.427
268 HA SER 42 HA SER 42 -4.511 6.573 -7.621
269 HB2 SER 42 1HB SER 42 -2.560 7.168 -6.280
270 HB3 SER 42 2HB SER 42 -3.718 6.278 -5.292
271 HG SER 42 HG SER 42 -1.427 5.163 -6.548
272 H SER 43 H SER 43 -3.059 7.580 -9.029
273 HA SER 43 HA SER 43 -1.725 5.748 -10.850
274 HB2 SER 43 1HB SER 43 -3.219 7.598 -11.668
275 HB3 SER 43 2HB SER 43 -2.012 8.750 -11.095
276 HG SER 43 HG SER 43 -1.914 6.983 -13.254
277 H GLY 44 H GLY 44 0.440 6.315 -11.708
278 HA2 GLY 44 1HA GLY 44 2.676 6.753 -11.415
279 HA3 GLY 44 2HA GLY 44 2.196 8.039 -10.318
Start of MODEL 19
1 H1 GLY 1 H GLY 1 8.490 -24.323 -17.602
2 HA2 GLY 1 1HA GLY 1 7.586 -26.545 -17.773
3 HA3 GLY 1 2HA GLY 1 8.916 -27.118 -16.777
4 H SER 2 H SER 2 8.942 -25.778 -14.562
5 HA SER 2 HA SER 2 6.194 -25.662 -13.529
6 HB2 SER 2 1HB SER 2 7.184 -27.876 -12.983
7 HB3 SER 2 2HB SER 2 8.491 -27.054 -12.131
8 HG SER 2 HG SER 2 7.041 -26.314 -10.632
9 H SER 3 H SER 3 5.941 -24.409 -11.595
10 HA SER 3 HA SER 3 8.075 -22.407 -11.261
11 HB2 SER 3 1HB SER 3 5.090 -22.109 -10.853
12 HB3 SER 3 2HB SER 3 6.285 -20.847 -10.553
13 HG SER 3 HG SER 3 5.174 -21.661 -12.899
14 H GLY 4 H GLY 4 9.160 -23.585 -9.640
15 HA2 GLY 4 1HA GLY 4 8.014 -23.209 -6.998
16 HA3 GLY 4 2HA GLY 4 8.317 -24.880 -7.449
17 H SER 5 H SER 5 9.631 -22.081 -6.114
18 HA SER 5 HA SER 5 12.339 -23.234 -6.274
19 HB2 SER 5 1HB SER 5 12.444 -21.223 -7.532
20 HB3 SER 5 2HB SER 5 11.476 -20.343 -6.350
21 HG SER 5 HG SER 5 13.751 -19.899 -6.225
22 H SER 6 H SER 6 13.406 -23.539 -4.400
23 HA SER 6 HA SER 6 11.947 -23.298 -1.946
24 HB2 SER 6 1HB SER 6 13.972 -24.296 -0.922
25 HB3 SER 6 2HB SER 6 13.410 -25.215 -2.317
26 HG SER 6 HG SER 6 15.592 -24.974 -2.555
27 H GLY 7 H GLY 7 11.631 -21.185 -1.385
28 HA2 GLY 7 1HA GLY 7 13.408 -19.818 0.154
29 HA3 GLY 7 2HA GLY 7 13.770 -19.258 -1.472
30 H THR 8 H THR 8 11.264 -19.455 0.993
31 HA THR 8 HA THR 8 9.768 -17.343 -0.408
32 HB THR 8 HB THR 8 8.489 -19.397 0.109
33 HG1 THR 8 HG1 THR 8 6.844 -18.160 1.454
34 HG21 THR 8 3HG2 THR 8 9.778 -19.853 2.251
35 HG22 THR 8 1HG2 THR 8 8.033 -20.097 2.323
36 HG23 THR 8 2HG2 THR 8 8.750 -18.640 3.012
37 H GLY 9 H GLY 9 9.980 -15.342 0.337
38 HA2 GLY 9 1HA GLY 9 9.690 -14.581 3.011
39 HA3 GLY 9 2HA GLY 9 11.412 -14.695 2.680
40 H GLU 10 H GLU 10 8.467 -13.327 1.205
41 HA GLU 10 HA GLU 10 9.968 -10.841 0.757
42 HB2 GLU 10 1HB GLU 10 9.648 -12.359 -1.324
43 HB3 GLU 10 2HB GLU 10 7.973 -11.829 -1.259
44 HG2 GLU 10 1HG GLU 10 8.569 -9.577 -1.630
45 HG3 GLU 10 2HG GLU 10 10.277 -9.907 -1.347
46 H ASN 11 H ASN 11 8.843 -8.967 1.074
47 HA ASN 11 HA ASN 11 6.110 -9.274 2.119
48 HB2 ASN 11 1HB ASN 11 7.725 -6.807 2.604
49 HB3 ASN 11 2HB ASN 11 6.516 -7.574 3.629
50 HD21 ASN 11 1HD2 ASN 11 7.107 -9.400 4.854
51 HD22 ASN 11 2HD2 ASN 11 8.760 -9.715 5.245
52 HA PRO 12 HA PRO 12 5.550 -7.039 -1.877
53 HB2 PRO 12 1HB PRO 12 3.201 -8.262 -2.477
54 HB3 PRO 12 2HB PRO 12 4.776 -8.962 -2.870
55 HG2 PRO 12 1HG PRO 12 2.953 -9.569 -0.574
56 HG3 PRO 12 2HG PRO 12 3.871 -10.687 -1.600
57 HD2 PRO 12 1HD PRO 12 4.704 -9.959 0.872
58 HD3 PRO 12 2HD PRO 12 5.834 -10.332 -0.445
59 H TYR 13 H TYR 13 4.117 -7.076 1.131
60 HA TYR 13 HA TYR 13 2.338 -4.853 0.387
61 HB2 TYR 13 1HB TYR 13 1.675 -6.755 2.623
62 HB3 TYR 13 2HB TYR 13 0.617 -5.607 1.809
63 HD1 TYR 13 HD2 TYR 13 0.674 -6.102 -0.925
64 HD2 TYR 13 HD1 TYR 13 1.135 -8.949 2.203
65 HE1 TYR 13 HE2 TYR 13 -0.098 -7.881 -2.438
66 HE2 TYR 13 HE1 TYR 13 0.365 -10.736 0.698
67 HH TYR 13 HH TYR 13 -1.264 -10.261 -2.037
68 H GLU 14 H GLU 14 4.261 -3.596 0.976
69 HA GLU 14 HA GLU 14 4.531 -3.314 3.897
70 HB2 GLU 14 1HB GLU 14 6.588 -4.097 2.694
71 HB3 GLU 14 2HB GLU 14 6.594 -2.573 1.818
72 HG2 GLU 14 1HG GLU 14 6.671 -1.442 4.089
73 HG3 GLU 14 2HG GLU 14 7.035 -3.036 4.748
74 H CYS 15 H CYS 15 3.196 -1.681 4.415
75 HA CYS 15 HA CYS 15 2.368 0.434 2.863
76 HB2 CYS 15 1HB CYS 15 1.441 -0.187 5.095
77 HB3 CYS 15 2HB CYS 15 2.855 0.545 5.846
78 H CYS 16 H CYS 16 3.460 1.988 1.880
79 HA CYS 16 HA CYS 16 6.150 2.659 2.680
80 HB2 CYS 16 1HB CYS 16 5.071 2.526 0.267
81 HB3 CYS 16 2HB CYS 16 4.672 4.209 0.597
82 H GLU 17 H GLU 17 2.961 3.996 3.025
83 HA GLU 17 HA GLU 17 3.461 6.667 3.486
84 HB2 GLU 17 1HB GLU 17 1.488 4.843 4.867
85 HB3 GLU 17 2HB GLU 17 1.472 6.595 5.008
86 HG2 GLU 17 1HG GLU 17 0.694 6.903 2.891
87 HG3 GLU 17 2HG GLU 17 1.428 5.419 2.286
88 H CYS 18 H CYS 18 3.360 4.102 5.966
89 HA CYS 18 HA CYS 18 4.918 5.858 7.736
90 HB2 CYS 18 1HB CYS 18 4.127 4.433 9.574
91 HB3 CYS 18 2HB CYS 18 2.780 5.102 8.659
92 H GLY 19 H GLY 19 4.710 2.511 6.565
93 HA2 GLY 19 1HA GLY 19 6.894 1.584 5.798
94 HA3 GLY 19 2HA GLY 19 7.553 2.188 7.311
95 H LYS 20 H LYS 20 4.406 0.671 7.036
96 HA LYS 20 HA LYS 20 5.301 -1.411 8.877
97 HB2 LYS 20 1HB LYS 20 3.107 0.068 9.015
98 HB3 LYS 20 2HB LYS 20 2.469 -1.187 7.961
99 HG2 LYS 20 1HG LYS 20 2.660 -2.828 9.577
100 HG3 LYS 20 2HG LYS 20 3.869 -1.926 10.495
101 HD2 LYS 20 1HD LYS 20 1.159 -0.736 10.186
102 HD3 LYS 20 2HD LYS 20 1.352 -2.094 11.298
103 HE2 LYS 20 1HE LYS 20 1.673 -0.171 12.610
104 HE3 LYS 20 2HE LYS 20 3.293 -0.795 12.301
105 HZ1 LYS 20 3HZ LYS 20 3.794 0.931 10.913
106 HZ2 LYS 20 1HZ LYS 20 2.755 1.723 11.989
107 HZ3 LYS 20 2HZ LYS 20 2.185 1.219 10.478
108 H VAL 21 H VAL 21 4.486 -3.644 8.533
109 HA VAL 21 HA VAL 21 4.343 -4.337 5.674
110 HB VAL 21 HB VAL 21 5.805 -5.989 7.732
111 HG11 VAL 21 1HG1 VAL 21 5.299 -6.193 4.808
112 HG12 VAL 21 2HG1 VAL 21 6.839 -6.781 5.438
113 HG13 VAL 21 3HG1 VAL 21 5.323 -7.452 6.041
114 HG21 VAL 21 3HG2 VAL 21 7.479 -4.735 5.729
115 HG22 VAL 21 1HG2 VAL 21 6.648 -3.543 6.729
116 HG23 VAL 21 2HG2 VAL 21 7.659 -4.776 7.483
117 H PHE 22 H PHE 22 3.285 -6.353 5.195
118 HA PHE 22 HA PHE 22 1.711 -7.558 7.332
119 HB2 PHE 22 1HB PHE 22 0.432 -6.398 4.847
120 HB3 PHE 22 2HB PHE 22 -0.397 -7.311 6.104
121 HD1 PHE 22 HD2 PHE 22 1.373 -4.157 5.373
122 HD2 PHE 22 HD1 PHE 22 -1.123 -6.274 8.094
123 HE1 PHE 22 HE2 PHE 22 0.945 -2.068 6.600
124 HE2 PHE 22 HE1 PHE 22 -1.556 -4.188 9.325
125 HZ PHE 22 HZ PHE 22 -0.521 -2.082 8.579
126 H SER 23 H SER 23 0.540 -9.516 6.569
127 HA SER 23 HA SER 23 2.255 -10.995 4.739
128 HB2 SER 23 1HB SER 23 1.169 -12.985 5.606
129 HB3 SER 23 2HB SER 23 1.637 -11.953 6.957
130 HG SER 23 HG SER 23 -0.633 -11.119 6.714
131 H ARG 24 H ARG 24 -1.048 -9.847 4.998
132 HA ARG 24 HA ARG 24 -1.499 -10.717 2.222
133 HB2 ARG 24 1HB ARG 24 -3.558 -10.687 4.436
134 HB3 ARG 24 2HB ARG 24 -3.851 -11.131 2.760
135 HG2 ARG 24 1HG ARG 24 -2.684 -13.130 2.953
136 HG3 ARG 24 2HG ARG 24 -1.827 -12.599 4.402
137 HD2 ARG 24 1HD ARG 24 -4.799 -12.817 4.477
138 HD3 ARG 24 2HD ARG 24 -3.835 -14.291 4.552
139 HE ARG 24 HE ARG 24 -3.001 -12.267 6.415
140 HH11 ARG 24 1HH1 ARG 24 -5.163 -14.940 5.863
141 HH12 ARG 24 2HH1 ARG 24 -5.375 -15.285 7.548
142 HH21 ARG 24 1HH2 ARG 24 -3.272 -12.712 8.635
143 HH22 ARG 24 2HH2 ARG 24 -4.300 -14.016 9.124
144 H LYS 25 H LYS 25 -2.067 -9.140 0.871
145 HA LYS 25 HA LYS 25 -1.915 -6.495 1.287
146 HB2 LYS 25 1HB LYS 25 -2.342 -7.624 -0.909
147 HB3 LYS 25 2HB LYS 25 -4.044 -7.719 -0.475
148 HG2 LYS 25 1HG LYS 25 -4.035 -5.825 -1.750
149 HG3 LYS 25 2HG LYS 25 -3.787 -5.132 -0.145
150 HD2 LYS 25 1HD LYS 25 -1.564 -4.663 -0.547
151 HD3 LYS 25 2HD LYS 25 -1.417 -5.912 -1.786
152 HE2 LYS 25 1HE LYS 25 -3.249 -3.618 -2.283
153 HE3 LYS 25 2HE LYS 25 -1.511 -3.350 -2.412
154 HZ1 LYS 25 3HZ LYS 25 -3.168 -5.254 -3.964
155 HZ2 LYS 25 1HZ LYS 25 -1.477 -5.310 -3.950
156 HZ3 LYS 25 2HZ LYS 25 -2.272 -3.943 -4.548
157 H ASP 26 H ASP 26 -4.853 -8.420 1.783
158 HA ASP 26 HA ASP 26 -6.714 -6.523 2.353
159 HB2 ASP 26 1HB ASP 26 -6.244 -9.121 3.829
160 HB3 ASP 26 2HB ASP 26 -7.710 -8.154 3.962
161 H GLN 27 H GLN 27 -4.502 -7.931 4.772
162 HA GLN 27 HA GLN 27 -5.234 -6.351 6.928
163 HB2 GLN 27 1HB GLN 27 -2.466 -7.394 6.301
164 HB3 GLN 27 2HB GLN 27 -3.046 -6.888 7.883
165 HG2 GLN 27 1HG GLN 27 -4.873 -8.710 7.463
166 HG3 GLN 27 2HG GLN 27 -3.685 -9.341 6.323
167 HE21 GLN 27 1HE2 GLN 27 -4.243 -11.018 8.214
168 HE22 GLN 27 2HE2 GLN 27 -3.030 -11.077 9.443
169 H LEU 28 H LEU 28 -3.120 -5.625 4.234
170 HA LEU 28 HA LEU 28 -1.978 -3.267 5.339
171 HB2 LEU 28 1HB LEU 28 -0.990 -4.561 3.476
172 HB3 LEU 28 2HB LEU 28 -2.313 -4.029 2.441
173 HG LEU 28 HG LEU 28 -1.402 -1.637 3.176
174 HD11 LEU 28 1HD1 LEU 28 0.341 -2.334 4.625
175 HD12 LEU 28 2HD1 LEU 28 1.107 -1.759 3.145
176 HD13 LEU 28 3HD1 LEU 28 0.954 -3.490 3.442
177 HD21 LEU 28 3HD2 LEU 28 -1.035 -3.406 0.929
178 HD22 LEU 28 1HD2 LEU 28 0.355 -2.339 1.129
179 HD23 LEU 28 2HD2 LEU 28 -1.263 -1.656 0.959
180 H VAL 29 H VAL 29 -4.659 -3.842 3.079
181 HA VAL 29 HA VAL 29 -5.339 -1.210 2.527
182 HB VAL 29 HB VAL 29 -7.217 -3.560 2.819
183 HG11 VAL 29 1HG1 VAL 29 -8.139 -1.137 2.772
184 HG12 VAL 29 2HG1 VAL 29 -7.695 -1.184 1.065
185 HG13 VAL 29 3HG1 VAL 29 -8.851 -2.350 1.710
186 HG21 VAL 29 3HG2 VAL 29 -6.346 -2.589 0.167
187 HG22 VAL 29 1HG2 VAL 29 -5.141 -3.446 1.128
188 HG23 VAL 29 2HG2 VAL 29 -6.668 -4.230 0.726
189 H SER 30 H SER 30 -6.612 -3.310 5.108
190 HA SER 30 HA SER 30 -8.354 -1.476 6.269
191 HB2 SER 30 1HB SER 30 -6.915 -3.903 7.254
192 HB3 SER 30 2HB SER 30 -7.730 -2.873 8.431
193 HG SER 30 HG SER 30 -8.827 -4.329 6.283
194 H HIS 31 H HIS 31 -4.891 -1.883 6.655
195 HA HIS 31 HA HIS 31 -4.648 -0.105 8.879
196 HB2 HIS 31 1HB HIS 31 -2.872 -1.597 8.750
197 HB3 HIS 31 2HB HIS 31 -2.728 -1.433 7.002
198 HD1 HIS 31 HD1 HIS 31 -1.959 0.489 10.172
199 HD2 HIS 31 HD2 HIS 31 -0.852 0.370 6.169
200 HE1 HIS 31 HE1 HIS 31 -0.017 2.073 9.965
201 H GLN 32 H GLN 32 -3.572 0.222 5.491
202 HA GLN 32 HA GLN 32 -2.724 2.753 5.362
203 HB2 GLN 32 1HB GLN 32 -4.621 1.426 3.422
204 HB3 GLN 32 2HB GLN 32 -3.753 2.917 3.081
205 HG2 GLN 32 1HG GLN 32 -1.626 1.720 3.386
206 HG3 GLN 32 2HG GLN 32 -2.527 0.228 3.647
207 HE21 GLN 32 1HE2 GLN 32 -0.613 0.552 1.643
208 HE22 GLN 32 2HE2 GLN 32 -1.401 0.456 0.108
209 H LYS 33 H LYS 33 -6.142 1.822 5.453
210 HA LYS 33 HA LYS 33 -7.473 4.124 5.040
211 HB2 LYS 33 1HB LYS 33 -8.037 2.359 7.426
212 HB3 LYS 33 2HB LYS 33 -9.187 3.368 6.558
213 HG2 LYS 33 1HG LYS 33 -8.439 1.862 4.524
214 HG3 LYS 33 2HG LYS 33 -8.033 0.735 5.821
215 HD2 LYS 33 1HD LYS 33 -10.218 0.153 5.392
216 HD3 LYS 33 2HD LYS 33 -10.430 1.334 6.686
217 HE2 LYS 33 1HE LYS 33 -10.515 2.099 3.781
218 HE3 LYS 33 2HE LYS 33 -11.947 1.552 4.651
219 HZ1 LYS 33 3HZ LYS 33 -11.207 3.389 6.324
220 HZ2 LYS 33 1HZ LYS 33 -12.084 3.801 4.937
221 HZ3 LYS 33 2HZ LYS 33 -10.409 4.029 4.977
222 H THR 34 H THR 34 -5.933 3.253 8.127
223 HA THR 34 HA THR 34 -6.585 5.331 9.731
224 HB THR 34 HB THR 34 -4.358 5.155 10.790
225 HG1 THR 34 HG1 THR 34 -3.804 3.658 8.442
226 HG21 THR 34 3HG2 THR 34 -4.749 2.329 10.350
227 HG22 THR 34 1HG2 THR 34 -6.295 3.155 10.532
228 HG23 THR 34 2HG2 THR 34 -5.068 3.292 11.792
229 H HIS 35 H HIS 35 -4.020 5.389 7.271
230 HA HIS 35 HA HIS 35 -3.284 8.093 7.756
231 HB2 HIS 35 1HB HIS 35 -2.842 6.506 5.222
232 HB3 HIS 35 2HB HIS 35 -1.926 7.906 5.774
233 HD1 HIS 35 HD1 HIS 35 -0.977 7.295 8.455
234 HD2 HIS 35 HD2 HIS 35 -1.351 4.299 5.601
235 HE1 HIS 35 HE1 HIS 35 0.541 5.442 9.221
236 H SER 36 H SER 36 -3.346 9.701 5.843
237 HA SER 36 HA SER 36 -5.954 10.553 5.463
238 HB2 SER 36 1HB SER 36 -5.055 12.101 3.792
239 HB3 SER 36 2HB SER 36 -3.974 12.002 5.181
240 HG SER 36 HG SER 36 -2.986 10.223 3.730
241 H GLY 37 H GLY 37 -7.044 10.883 3.303
242 HA2 GLY 37 1HA GLY 37 -7.619 10.103 1.149
243 HA3 GLY 37 2HA GLY 37 -6.585 8.705 1.405
244 H GLN 38 H GLN 38 -9.556 10.180 2.706
245 HA GLN 38 HA GLN 38 -10.541 7.660 3.660
246 HB2 GLN 38 1HB GLN 38 -11.131 9.732 4.804
247 HB3 GLN 38 2HB GLN 38 -11.915 10.335 3.349
248 HG2 GLN 38 1HG GLN 38 -12.795 7.825 4.739
249 HG3 GLN 38 2HG GLN 38 -13.421 9.419 5.157
250 HE21 GLN 38 1HE2 GLN 38 -14.533 10.614 3.507
251 HE22 GLN 38 2HE2 GLN 38 -15.365 9.774 2.248
252 H SER 39 H SER 39 -11.474 9.865 1.026
253 HA SER 39 HA SER 39 -13.608 8.570 -0.052
254 HB2 SER 39 1HB SER 39 -12.396 10.696 -0.872
255 HB3 SER 39 2HB SER 39 -11.415 9.599 -1.844
256 HG SER 39 HG SER 39 -13.699 8.781 -2.438
257 H GLY 40 H GLY 40 -13.921 6.994 -1.685
258 HA2 GLY 40 1HA GLY 40 -11.974 5.467 -2.937
259 HA3 GLY 40 2HA GLY 40 -12.283 4.690 -1.391
260 HA PRO 41 HA PRO 41 -15.331 3.215 -4.647
261 HB2 PRO 41 1HB PRO 41 -14.655 0.589 -4.512
262 HB3 PRO 41 2HB PRO 41 -13.865 1.729 -5.607
263 HG2 PRO 41 1HG PRO 41 -12.946 0.713 -2.945
264 HG3 PRO 41 2HG PRO 41 -12.016 0.943 -4.437
265 HD2 PRO 41 1HD PRO 41 -11.947 2.714 -2.390
266 HD3 PRO 41 2HD PRO 41 -11.773 3.208 -4.086
267 H SER 42 H SER 42 -14.467 2.442 -1.397
268 HA SER 42 HA SER 42 -16.627 0.679 -0.820
269 HB2 SER 42 1HB SER 42 -15.936 0.811 1.443
270 HB3 SER 42 2HB SER 42 -14.452 0.959 0.502
271 HG SER 42 HG SER 42 -14.166 2.791 1.464
272 H SER 43 H SER 43 -18.234 1.278 0.966
273 HA SER 43 HA SER 43 -19.813 3.466 0.002
274 HB2 SER 43 1HB SER 43 -20.255 1.721 2.437
275 HB3 SER 43 2HB SER 43 -21.455 2.756 1.662
276 HG SER 43 HG SER 43 -21.870 0.925 0.664
277 H GLY 44 H GLY 44 -20.945 4.803 1.904
278 HA2 GLY 44 1HA GLY 44 -19.120 5.640 3.980
279 HA3 GLY 44 2HA GLY 44 -19.306 6.813 2.684
Start of MODEL 20
1 H1 GLY 1 H GLY 1 29.371 4.536 4.298
2 HA2 GLY 1 1HA GLY 1 28.851 6.052 6.782
3 HA3 GLY 1 2HA GLY 1 27.700 5.928 5.460
4 H SER 2 H SER 2 26.690 5.313 7.803
5 HA SER 2 HA SER 2 26.825 2.385 8.054
6 HB2 SER 2 1HB SER 2 27.264 3.928 10.070
7 HB3 SER 2 2HB SER 2 25.528 4.235 10.048
8 HG SER 2 HG SER 2 26.351 1.577 9.955
9 H SER 3 H SER 3 24.823 1.224 8.411
10 HA SER 3 HA SER 3 22.783 2.055 6.584
11 HB2 SER 3 1HB SER 3 23.030 -0.320 8.435
12 HB3 SER 3 2HB SER 3 21.643 -0.069 7.375
13 HG SER 3 HG SER 3 23.060 -1.328 6.252
14 H GLY 4 H GLY 4 20.397 1.668 7.379
15 HA2 GLY 4 1HA GLY 4 20.052 3.410 9.732
16 HA3 GLY 4 2HA GLY 4 18.909 3.271 8.404
17 H SER 5 H SER 5 17.118 2.235 8.935
18 HA SER 5 HA SER 5 17.138 0.397 11.200
19 HB2 SER 5 1HB SER 5 15.408 2.174 11.074
20 HB3 SER 5 2HB SER 5 14.795 1.443 9.591
21 HG SER 5 HG SER 5 14.119 0.840 12.045
22 H SER 6 H SER 6 17.295 -1.718 10.923
23 HA SER 6 HA SER 6 16.882 -2.855 8.269
24 HB2 SER 6 1HB SER 6 18.167 -3.898 10.791
25 HB3 SER 6 2HB SER 6 17.845 -4.939 9.405
26 HG SER 6 HG SER 6 19.067 -3.301 8.174
27 H GLY 7 H GLY 7 15.117 -3.955 7.721
28 HA2 GLY 7 1HA GLY 7 13.196 -4.629 9.840
29 HA3 GLY 7 2HA GLY 7 12.814 -4.432 8.136
30 H THR 8 H THR 8 11.748 -6.575 9.183
31 HA THR 8 HA THR 8 13.363 -8.762 8.088
32 HB THR 8 HB THR 8 11.858 -9.020 10.696
33 HG1 THR 8 HG1 THR 8 14.234 -9.325 11.362
34 HG21 THR 8 3HG2 THR 8 12.615 -10.960 8.889
35 HG22 THR 8 1HG2 THR 8 12.274 -11.220 10.599
36 HG23 THR 8 2HG2 THR 8 13.934 -10.965 10.060
37 H GLY 9 H GLY 9 12.211 -9.604 6.483
38 HA2 GLY 9 1HA GLY 9 10.303 -11.033 5.940
39 HA3 GLY 9 2HA GLY 9 9.305 -9.944 6.892
40 H GLU 10 H GLU 10 10.435 -10.707 3.804
41 HA GLU 10 HA GLU 10 9.704 -8.071 2.737
42 HB2 GLU 10 1HB GLU 10 11.901 -9.392 2.155
43 HB3 GLU 10 2HB GLU 10 10.847 -10.262 1.050
44 HG2 GLU 10 1HG GLU 10 10.556 -8.467 -0.316
45 HG3 GLU 10 2HG GLU 10 10.771 -7.299 0.987
46 H ASN 11 H ASN 11 7.483 -8.155 2.731
47 HA ASN 11 HA ASN 11 6.207 -10.363 1.279
48 HB2 ASN 11 1HB ASN 11 5.216 -8.364 3.289
49 HB3 ASN 11 2HB ASN 11 4.082 -9.189 2.224
50 HD21 ASN 11 1HD2 ASN 11 4.850 -9.267 5.203
51 HD22 ASN 11 2HD2 ASN 11 4.938 -10.959 5.539
52 HA PRO 12 HA PRO 12 5.231 -7.913 -2.228
53 HB2 PRO 12 1HB PRO 12 2.768 -8.846 -2.888
54 HB3 PRO 12 2HB PRO 12 4.247 -9.785 -3.127
55 HG2 PRO 12 1HG PRO 12 2.235 -9.949 -0.916
56 HG3 PRO 12 2HG PRO 12 3.040 -11.261 -1.796
57 HD2 PRO 12 1HD PRO 12 3.832 -10.458 0.665
58 HD3 PRO 12 2HD PRO 12 4.968 -11.087 -0.546
59 H TYR 13 H TYR 13 3.772 -7.417 0.681
60 HA TYR 13 HA TYR 13 2.378 -5.040 -0.322
61 HB2 TYR 13 1HB TYR 13 1.232 -6.852 1.809
62 HB3 TYR 13 2HB TYR 13 0.481 -5.412 1.130
63 HD1 TYR 13 HD2 TYR 13 -0.266 -5.442 -1.267
64 HD2 TYR 13 HD1 TYR 13 1.010 -8.961 0.756
65 HE1 TYR 13 HE2 TYR 13 -1.368 -6.819 -2.980
66 HE2 TYR 13 HE1 TYR 13 -0.088 -10.348 -0.952
67 HH TYR 13 HH TYR 13 -2.361 -9.403 -2.906
68 H GLU 14 H GLU 14 3.633 -3.470 0.477
69 HA GLU 14 HA GLU 14 4.086 -3.437 3.378
70 HB2 GLU 14 1HB GLU 14 6.198 -4.107 2.473
71 HB3 GLU 14 2HB GLU 14 6.122 -2.871 1.225
72 HG2 GLU 14 1HG GLU 14 6.066 -1.998 4.060
73 HG3 GLU 14 2HG GLU 14 7.591 -2.579 3.393
74 H CYS 15 H CYS 15 3.836 -1.481 4.355
75 HA CYS 15 HA CYS 15 2.640 0.621 2.746
76 HB2 CYS 15 1HB CYS 15 1.430 0.207 4.721
77 HB3 CYS 15 2HB CYS 15 2.890 0.126 5.703
78 H CYS 16 H CYS 16 3.761 2.267 1.964
79 HA CYS 16 HA CYS 16 6.455 2.776 2.939
80 HB2 CYS 16 1HB CYS 16 5.691 2.657 0.451
81 HB3 CYS 16 2HB CYS 16 5.132 4.305 0.719
82 H GLU 17 H GLU 17 3.287 4.111 3.161
83 HA GLU 17 HA GLU 17 3.737 6.793 3.606
84 HB2 GLU 17 1HB GLU 17 1.734 4.866 4.736
85 HB3 GLU 17 2HB GLU 17 1.759 6.538 5.277
86 HG2 GLU 17 1HG GLU 17 0.155 6.434 3.568
87 HG3 GLU 17 2HG GLU 17 1.572 7.202 2.854
88 H CYS 18 H CYS 18 4.114 4.096 5.855
89 HA CYS 18 HA CYS 18 5.647 5.875 7.618
90 HB2 CYS 18 1HB CYS 18 4.644 4.883 9.595
91 HB3 CYS 18 2HB CYS 18 3.382 5.561 8.571
92 H GLY 19 H GLY 19 4.826 2.512 6.818
93 HA2 GLY 19 1HA GLY 19 6.854 1.185 6.138
94 HA3 GLY 19 2HA GLY 19 7.560 1.754 7.643
95 H LYS 20 H LYS 20 4.641 0.073 6.479
96 HA LYS 20 HA LYS 20 4.984 -1.843 8.681
97 HB2 LYS 20 1HB LYS 20 2.492 -0.341 7.917
98 HB3 LYS 20 2HB LYS 20 2.402 -1.892 8.741
99 HG2 LYS 20 1HG LYS 20 4.143 0.208 9.912
100 HG3 LYS 20 2HG LYS 20 2.394 0.391 10.060
101 HD2 LYS 20 1HD LYS 20 3.084 -0.766 11.999
102 HD3 LYS 20 2HD LYS 20 2.364 -1.986 10.947
103 HE2 LYS 20 1HE LYS 20 4.468 -2.846 10.333
104 HE3 LYS 20 2HE LYS 20 5.318 -1.437 10.966
105 HZ1 LYS 20 3HZ LYS 20 3.735 -2.933 12.888
106 HZ2 LYS 20 1HZ LYS 20 5.268 -2.236 13.054
107 HZ3 LYS 20 2HZ LYS 20 5.099 -3.732 12.284
108 H VAL 21 H VAL 21 5.335 -3.762 7.793
109 HA VAL 21 HA VAL 21 4.394 -4.368 5.122
110 HB VAL 21 HB VAL 21 5.896 -6.168 7.026
111 HG11 VAL 21 1HG1 VAL 21 5.600 -6.258 4.025
112 HG12 VAL 21 2HG1 VAL 21 6.531 -7.384 5.016
113 HG13 VAL 21 3HG1 VAL 21 4.775 -7.315 5.170
114 HG21 VAL 21 3HG2 VAL 21 7.333 -4.872 4.807
115 HG22 VAL 21 1HG2 VAL 21 6.847 -3.805 6.125
116 HG23 VAL 21 2HG2 VAL 21 7.858 -5.213 6.456
117 H PHE 22 H PHE 22 3.158 -6.257 4.599
118 HA PHE 22 HA PHE 22 1.626 -7.466 6.771
119 HB2 PHE 22 1HB PHE 22 0.350 -6.073 4.408
120 HB3 PHE 22 2HB PHE 22 -0.511 -7.066 5.580
121 HD1 PHE 22 HD2 PHE 22 1.465 -3.965 5.186
122 HD2 PHE 22 HD1 PHE 22 -1.237 -6.173 7.623
123 HE1 PHE 22 HE2 PHE 22 1.145 -1.989 6.616
124 HE2 PHE 22 HE1 PHE 22 -1.562 -4.200 9.057
125 HZ PHE 22 HZ PHE 22 -0.369 -2.105 8.555
126 H SER 23 H SER 23 0.992 -9.541 6.377
127 HA SER 23 HA SER 23 2.305 -10.955 4.303
128 HB2 SER 23 1HB SER 23 1.621 -11.839 6.603
129 HB3 SER 23 2HB SER 23 -0.001 -12.018 5.936
130 HG SER 23 HG SER 23 1.576 -13.873 5.821
131 H ARG 24 H ARG 24 -1.068 -9.998 4.811
132 HA ARG 24 HA ARG 24 -1.587 -10.649 1.984
133 HB2 ARG 24 1HB ARG 24 -3.535 -10.836 4.289
134 HB3 ARG 24 2HB ARG 24 -3.907 -11.161 2.601
135 HG2 ARG 24 1HG ARG 24 -2.786 -13.161 2.594
136 HG3 ARG 24 2HG ARG 24 -1.716 -12.688 3.915
137 HD2 ARG 24 1HD ARG 24 -3.380 -13.048 5.534
138 HD3 ARG 24 2HD ARG 24 -4.664 -13.079 4.326
139 HE ARG 24 HE ARG 24 -2.992 -15.268 5.132
140 HH11 ARG 24 1HH1 ARG 24 -4.939 -13.961 2.559
141 HH12 ARG 24 2HH1 ARG 24 -5.250 -15.504 1.835
142 HH21 ARG 24 1HH2 ARG 24 -3.395 -17.305 4.188
143 HH22 ARG 24 2HH2 ARG 24 -4.372 -17.405 2.763
144 H LYS 25 H LYS 25 -2.384 -9.057 0.752
145 HA LYS 25 HA LYS 25 -2.256 -6.422 1.301
146 HB2 LYS 25 1HB LYS 25 -2.849 -7.554 -0.907
147 HB3 LYS 25 2HB LYS 25 -4.519 -7.528 -0.357
148 HG2 LYS 25 1HG LYS 25 -4.518 -5.132 -0.277
149 HG3 LYS 25 2HG LYS 25 -2.791 -5.079 -0.635
150 HD2 LYS 25 1HD LYS 25 -3.138 -5.895 -2.841
151 HD3 LYS 25 2HD LYS 25 -4.819 -6.306 -2.494
152 HE2 LYS 25 1HE LYS 25 -5.058 -3.768 -1.990
153 HE3 LYS 25 2HE LYS 25 -3.572 -3.621 -2.927
154 HZ1 LYS 25 3HZ LYS 25 -5.602 -5.248 -4.172
155 HZ2 LYS 25 1HZ LYS 25 -4.647 -4.016 -4.830
156 HZ3 LYS 25 2HZ LYS 25 -6.051 -3.630 -3.970
157 H ASP 26 H ASP 26 -5.123 -8.449 1.835
158 HA ASP 26 HA ASP 26 -6.994 -6.668 2.637
159 HB2 ASP 26 1HB ASP 26 -6.307 -9.409 3.616
160 HB3 ASP 26 2HB ASP 26 -7.550 -8.491 4.462
161 H GLN 27 H GLN 27 -4.491 -8.025 4.780
162 HA GLN 27 HA GLN 27 -5.168 -6.551 7.059
163 HB2 GLN 27 1HB GLN 27 -2.407 -7.500 6.281
164 HB3 GLN 27 2HB GLN 27 -2.974 -7.132 7.905
165 HG2 GLN 27 1HG GLN 27 -4.722 -8.979 7.462
166 HG3 GLN 27 2HG GLN 27 -3.637 -9.464 6.159
167 HE21 GLN 27 1HE2 GLN 27 -1.243 -9.480 6.950
168 HE22 GLN 27 2HE2 GLN 27 -0.979 -10.342 8.423
169 H LEU 28 H LEU 28 -3.253 -5.721 4.256
170 HA LEU 28 HA LEU 28 -2.060 -3.383 5.369
171 HB2 LEU 28 1HB LEU 28 -1.117 -4.584 3.448
172 HB3 LEU 28 2HB LEU 28 -2.522 -4.133 2.485
173 HG LEU 28 HG LEU 28 -1.705 -1.689 3.160
174 HD11 LEU 28 1HD1 LEU 28 0.161 -2.160 4.478
175 HD12 LEU 28 2HD1 LEU 28 0.843 -1.762 2.902
176 HD13 LEU 28 3HD1 LEU 28 0.712 -3.447 3.406
177 HD21 LEU 28 3HD2 LEU 28 -2.021 -2.726 0.886
178 HD22 LEU 28 1HD2 LEU 28 -0.333 -3.231 0.969
179 HD23 LEU 28 2HD2 LEU 28 -0.742 -1.515 1.000
180 H VAL 29 H VAL 29 -4.858 -3.946 3.256
181 HA VAL 29 HA VAL 29 -5.609 -1.349 2.726
182 HB VAL 29 HB VAL 29 -7.438 -3.690 3.282
183 HG11 VAL 29 1HG1 VAL 29 -8.137 -1.364 1.539
184 HG12 VAL 29 2HG1 VAL 29 -9.198 -2.512 2.356
185 HG13 VAL 29 3HG1 VAL 29 -8.368 -1.261 3.284
186 HG21 VAL 29 3HG2 VAL 29 -6.301 -2.649 0.687
187 HG22 VAL 29 1HG2 VAL 29 -5.816 -4.131 1.509
188 HG23 VAL 29 2HG2 VAL 29 -7.446 -3.980 0.854
189 H SER 30 H SER 30 -6.722 -3.352 5.460
190 HA SER 30 HA SER 30 -8.272 -1.417 6.724
191 HB2 SER 30 1HB SER 30 -8.409 -3.730 7.404
192 HB3 SER 30 2HB SER 30 -6.718 -3.730 7.904
193 HG SER 30 HG SER 30 -8.929 -2.894 9.256
194 H HIS 31 H HIS 31 -4.820 -1.891 6.703
195 HA HIS 31 HA HIS 31 -4.267 -0.188 8.934
196 HB2 HIS 31 1HB HIS 31 -2.590 -1.773 8.476
197 HB3 HIS 31 2HB HIS 31 -2.583 -1.400 6.755
198 HD1 HIS 31 HD1 HIS 31 -1.338 -0.104 10.054
199 HD2 HIS 31 HD2 HIS 31 -0.915 0.681 5.996
200 HE1 HIS 31 HE1 HIS 31 0.574 1.520 9.879
201 H GLN 32 H GLN 32 -3.887 0.205 5.411
202 HA GLN 32 HA GLN 32 -2.990 2.815 5.366
203 HB2 GLN 32 1HB GLN 32 -4.795 1.379 3.416
204 HB3 GLN 32 2HB GLN 32 -4.054 2.941 3.094
205 HG2 GLN 32 1HG GLN 32 -1.860 1.992 3.194
206 HG3 GLN 32 2HG GLN 32 -2.506 0.442 3.730
207 HE21 GLN 32 1HE2 GLN 32 -0.870 1.116 1.396
208 HE22 GLN 32 2HE2 GLN 32 -1.759 0.564 0.022
209 H LYS 33 H LYS 33 -6.026 1.653 6.359
210 HA LYS 33 HA LYS 33 -7.796 3.665 5.694
211 HB2 LYS 33 1HB LYS 33 -7.625 2.108 8.280
212 HB3 LYS 33 2HB LYS 33 -9.017 3.054 7.770
213 HG2 LYS 33 1HG LYS 33 -8.002 0.963 5.923
214 HG3 LYS 33 2HG LYS 33 -8.875 0.451 7.370
215 HD2 LYS 33 1HD LYS 33 -10.635 0.680 5.935
216 HD3 LYS 33 2HD LYS 33 -10.564 2.328 6.564
217 HE2 LYS 33 1HE LYS 33 -9.395 3.095 4.637
218 HE3 LYS 33 2HE LYS 33 -9.136 1.449 4.063
219 HZ1 LYS 33 3HZ LYS 33 -10.906 2.469 2.828
220 HZ2 LYS 33 1HZ LYS 33 -11.742 2.860 4.247
221 HZ3 LYS 33 2HZ LYS 33 -11.555 1.241 3.794
222 H THR 34 H THR 34 -5.451 3.565 8.336
223 HA THR 34 HA THR 34 -6.232 6.226 9.226
224 HB THR 34 HB THR 34 -5.674 4.438 10.881
225 HG1 THR 34 HG1 THR 34 -5.267 6.146 12.048
226 HG21 THR 34 3HG2 THR 34 -2.857 4.855 9.874
227 HG22 THR 34 1HG2 THR 34 -3.823 3.399 9.643
228 HG23 THR 34 2HG2 THR 34 -3.327 3.880 11.266
229 H HIS 35 H HIS 35 -5.074 5.918 6.583
230 HA HIS 35 HA HIS 35 -2.705 7.624 6.947
231 HB2 HIS 35 1HB HIS 35 -3.013 5.164 5.302
232 HB3 HIS 35 2HB HIS 35 -2.081 6.487 4.608
233 HD1 HIS 35 HD1 HIS 35 -0.096 7.387 6.319
234 HD2 HIS 35 HD2 HIS 35 -1.537 3.529 6.868
235 HE1 HIS 35 HE1 HIS 35 1.663 6.197 7.667
236 H SER 36 H SER 36 -4.182 9.395 6.686
237 HA SER 36 HA SER 36 -5.122 9.749 3.916
238 HB2 SER 36 1HB SER 36 -6.154 11.139 6.398
239 HB3 SER 36 2HB SER 36 -6.819 11.260 4.770
240 HG SER 36 HG SER 36 -8.014 9.644 5.376
241 H GLY 37 H GLY 37 -3.131 10.565 3.173
242 HA2 GLY 37 1HA GLY 37 -2.127 13.014 4.423
243 HA3 GLY 37 2HA GLY 37 -1.314 12.077 3.178
244 H GLN 38 H GLN 38 -0.962 14.205 2.200
245 HA GLN 38 HA GLN 38 -3.264 14.965 0.536
246 HB2 GLN 38 1HB GLN 38 -1.305 16.848 1.859
247 HB3 GLN 38 2HB GLN 38 -2.503 17.328 0.665
248 HG2 GLN 38 1HG GLN 38 -4.271 16.490 2.206
249 HG3 GLN 38 2HG GLN 38 -3.015 16.227 3.416
250 HE21 GLN 38 1HE2 GLN 38 -4.793 18.606 1.594
251 HE22 GLN 38 2HE2 GLN 38 -4.387 19.960 2.587
252 H SER 39 H SER 39 -2.709 15.920 -1.516
253 HA SER 39 HA SER 39 -0.350 14.692 -2.652
254 HB2 SER 39 1HB SER 39 -2.556 14.664 -3.821
255 HB3 SER 39 2HB SER 39 -2.437 16.413 -4.012
256 HG SER 39 HG SER 39 -1.059 14.378 -5.310
257 H GLY 40 H GLY 40 1.317 15.779 -3.741
258 HA2 GLY 40 1HA GLY 40 1.967 18.355 -2.593
259 HA3 GLY 40 2HA GLY 40 3.000 17.380 -3.627
260 HA PRO 41 HA PRO 41 1.677 21.016 -6.124
261 HB2 PRO 41 1HB PRO 41 4.094 21.350 -7.315
262 HB3 PRO 41 2HB PRO 41 3.695 22.045 -5.739
263 HG2 PRO 41 1HG PRO 41 5.234 19.558 -6.378
264 HG3 PRO 41 2HG PRO 41 5.582 20.811 -5.171
265 HD2 PRO 41 1HD PRO 41 4.438 18.443 -4.525
266 HD3 PRO 41 2HD PRO 41 4.074 19.948 -3.657
267 H SER 42 H SER 42 0.331 19.568 -7.329
268 HA SER 42 HA SER 42 1.458 17.799 -9.284
269 HB2 SER 42 1HB SER 42 -0.936 17.597 -10.052
270 HB3 SER 42 2HB SER 42 -0.674 17.207 -8.353
271 HG SER 42 HG SER 42 -2.428 18.842 -9.212
272 H SER 43 H SER 43 2.606 18.737 -10.872
273 HA SER 43 HA SER 43 1.260 20.202 -12.899
274 HB2 SER 43 1HB SER 43 1.694 21.976 -11.120
275 HB3 SER 43 2HB SER 43 3.410 21.773 -11.473
276 HG SER 43 HG SER 43 2.633 22.143 -13.767
277 H GLY 44 H GLY 44 2.348 20.109 -14.818
278 HA2 GLY 44 1HA GLY 44 5.176 19.704 -14.985
279 HA3 GLY 44 2HA GLY 44 4.288 18.212 -15.252