NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505151 |
2eos   |
10157 | 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 -15.326 6.281 13.244
2 HA2 GLY 1 1HA GLY 1 -18.059 6.245 14.107
3 HA3 GLY 1 2HA GLY 1 -17.722 7.594 13.032
4 H SER 2 H SER 2 -18.174 7.218 10.978
5 HA SER 2 HA SER 2 -18.494 4.485 10.049
6 HB2 SER 2 1HB SER 2 -19.093 7.164 8.785
7 HB3 SER 2 2HB SER 2 -19.322 5.629 7.947
8 HG SER 2 HG SER 2 -21.202 6.533 9.092
9 H SER 3 H SER 3 -17.611 3.835 7.934
10 HA SER 3 HA SER 3 -14.903 4.932 7.548
11 HB2 SER 3 1HB SER 3 -14.196 2.720 6.835
12 HB3 SER 3 2HB SER 3 -14.978 2.597 8.411
13 HG SER 3 HG SER 3 -16.836 1.845 7.385
14 H GLY 4 H GLY 4 -14.244 5.503 5.533
15 HA2 GLY 4 1HA GLY 4 -14.876 4.736 3.070
16 HA3 GLY 4 2HA GLY 4 -16.320 5.646 3.489
17 H SER 5 H SER 5 -15.857 7.102 1.774
18 HA SER 5 HA SER 5 -13.547 8.488 1.283
19 HB2 SER 5 1HB SER 5 -15.801 8.604 0.052
20 HB3 SER 5 2HB SER 5 -16.231 9.860 1.212
21 HG SER 5 HG SER 5 -15.084 11.194 0.083
22 H SER 6 H SER 6 -12.933 10.714 1.796
23 HA SER 6 HA SER 6 -13.570 11.384 4.595
24 HB2 SER 6 1HB SER 6 -11.010 11.433 3.055
25 HB3 SER 6 2HB SER 6 -11.246 12.630 4.328
26 HG SER 6 HG SER 6 -10.963 9.864 4.506
27 H GLY 7 H GLY 7 -12.596 12.822 1.484
28 HA2 GLY 7 1HA GLY 7 -13.639 14.665 0.459
29 HA3 GLY 7 2HA GLY 7 -14.433 15.035 1.983
30 H GLY 8 H GLY 8 -11.087 14.789 0.755
31 HA2 GLY 8 1HA GLY 8 -10.430 17.474 1.031
32 HA3 GLY 8 2HA GLY 8 -10.074 16.715 2.575
33 H GLU 9 H GLU 9 -8.561 14.915 2.587
34 HA GLU 9 HA GLU 9 -6.774 14.839 0.259
35 HB2 GLU 9 1HB GLU 9 -5.882 15.181 3.127
36 HB3 GLU 9 2HB GLU 9 -4.813 14.923 1.755
37 HG2 GLU 9 1HG GLU 9 -6.699 17.249 1.875
38 HG3 GLU 9 2HG GLU 9 -5.095 17.304 2.603
39 H LYS 10 H LYS 10 -6.496 12.819 -0.384
40 HA LYS 10 HA LYS 10 -6.195 10.561 -0.370
41 HB2 LYS 10 1HB LYS 10 -5.924 10.730 2.630
42 HB3 LYS 10 2HB LYS 10 -5.303 9.477 1.564
43 HG2 LYS 10 1HG LYS 10 -3.534 10.749 0.866
44 HG3 LYS 10 2HG LYS 10 -4.370 12.274 1.170
45 HD2 LYS 10 1HD LYS 10 -2.757 12.176 2.855
46 HD3 LYS 10 2HD LYS 10 -4.230 11.621 3.652
47 HE2 LYS 10 1HE LYS 10 -2.702 10.042 4.347
48 HE3 LYS 10 2HE LYS 10 -3.399 9.259 2.930
49 HZ1 LYS 10 3HZ LYS 10 -0.717 10.267 3.354
50 HZ2 LYS 10 1HZ LYS 10 -1.376 10.613 1.835
51 HZ3 LYS 10 2HZ LYS 10 -1.258 9.010 2.360
52 HA PRO 11 HA PRO 11 -10.622 10.359 1.268
53 HB2 PRO 11 1HB PRO 11 -11.856 10.346 -1.150
54 HB3 PRO 11 2HB PRO 11 -11.492 11.832 -0.265
55 HG2 PRO 11 1HG PRO 11 -10.001 10.562 -2.529
56 HG3 PRO 11 2HG PRO 11 -10.391 12.272 -2.266
57 HD2 PRO 11 1HD PRO 11 -7.952 11.233 -1.716
58 HD3 PRO 11 2HD PRO 11 -8.653 12.570 -0.782
59 H TYR 12 H TYR 12 -8.400 8.548 -0.344
60 HA TYR 12 HA TYR 12 -10.224 6.243 -0.569
61 HB2 TYR 12 1HB TYR 12 -7.686 6.818 -2.111
62 HB3 TYR 12 2HB TYR 12 -8.595 5.314 -2.209
63 HD1 TYR 12 HD1 TYR 12 -8.735 8.942 -2.918
64 HD2 TYR 12 HD2 TYR 12 -10.530 5.140 -3.571
65 HE1 TYR 12 HE1 TYR 12 -10.139 9.916 -4.687
66 HE2 TYR 12 HE2 TYR 12 -11.939 6.103 -5.342
67 HH TYR 12 HH TYR 12 -11.596 9.490 -6.325
68 HA PRO 13 HA PRO 13 -7.416 5.245 2.918
69 HB2 PRO 13 1HB PRO 13 -9.268 3.779 4.256
70 HB3 PRO 13 2HB PRO 13 -9.159 5.539 4.386
71 HG2 PRO 13 1HG PRO 13 -11.010 3.873 2.725
72 HG3 PRO 13 2HG PRO 13 -11.366 5.320 3.686
73 HD2 PRO 13 1HD PRO 13 -11.034 5.401 1.000
74 HD3 PRO 13 2HD PRO 13 -10.574 6.748 2.060
75 H CYS 14 H CYS 14 -6.191 3.444 3.127
76 HA CYS 14 HA CYS 14 -6.334 1.404 1.188
77 HB2 CYS 14 1HB CYS 14 -4.208 1.972 2.159
78 HB3 CYS 14 2HB CYS 14 -4.788 1.592 3.777
79 H GLU 15 H GLU 15 -6.508 -0.930 1.633
80 HA GLU 15 HA GLU 15 -8.755 -1.437 3.444
81 HB2 GLU 15 1HB GLU 15 -9.301 -2.181 1.288
82 HB3 GLU 15 2HB GLU 15 -7.696 -2.841 1.009
83 HG2 GLU 15 1HG GLU 15 -9.246 -4.640 1.296
84 HG3 GLU 15 2HG GLU 15 -8.159 -4.592 2.683
85 H ILE 16 H ILE 16 -5.494 -2.531 2.685
86 HA ILE 16 HA ILE 16 -5.438 -4.712 4.485
87 HB ILE 16 HB ILE 16 -3.135 -3.059 3.441
88 HG12 ILE 16 1HG1 ILE 16 -2.990 -5.334 2.047
89 HG13 ILE 16 2HG1 ILE 16 -4.726 -5.321 2.337
90 HG21 ILE 16 1HG2 ILE 16 -3.283 -5.570 5.042
91 HG22 ILE 16 2HG2 ILE 16 -1.971 -5.358 3.884
92 HG23 ILE 16 3HG2 ILE 16 -2.184 -4.200 5.196
93 HD11 ILE 16 3HD1 ILE 16 -3.244 -3.909 0.385
94 HD12 ILE 16 1HD1 ILE 16 -4.986 -3.916 0.657
95 HD13 ILE 16 2HD1 ILE 16 -3.970 -2.732 1.480
96 H CYS 17 H CYS 17 -3.524 -1.728 4.806
97 HA CYS 17 HA CYS 17 -3.632 -2.010 7.705
98 HB2 CYS 17 1HB CYS 17 -1.910 -0.253 7.727
99 HB3 CYS 17 2HB CYS 17 -1.452 -1.590 6.677
100 H GLY 18 H GLY 18 -4.357 0.436 5.226
101 HA2 GLY 18 1HA GLY 18 -6.637 1.483 5.688
102 HA3 GLY 18 2HA GLY 18 -5.936 1.895 7.246
103 H THR 19 H THR 19 -3.289 2.388 5.953
104 HA THR 19 HA THR 19 -3.232 5.085 5.798
105 HB THR 19 HB THR 19 -1.602 3.071 4.268
106 HG1 THR 19 HG1 THR 19 -1.113 3.160 6.437
107 HG21 THR 19 3HG2 THR 19 -0.099 5.326 4.151
108 HG22 THR 19 1HG2 THR 19 -1.714 5.991 3.910
109 HG23 THR 19 2HG2 THR 19 -1.106 4.738 2.828
110 H ARG 20 H ARG 20 -4.300 6.530 4.633
111 HA ARG 20 HA ARG 20 -5.638 5.795 2.194
112 HB2 ARG 20 1HB ARG 20 -5.385 8.572 3.343
113 HB3 ARG 20 2HB ARG 20 -6.636 7.957 2.270
114 HG2 ARG 20 1HG ARG 20 -7.767 6.921 3.951
115 HG3 ARG 20 2HG ARG 20 -6.312 6.645 4.910
116 HD2 ARG 20 1HD ARG 20 -6.353 8.756 5.825
117 HD3 ARG 20 2HD ARG 20 -7.249 9.440 4.470
118 HE ARG 20 HE ARG 20 -9.223 8.801 5.476
119 HH11 ARG 20 1HH1 ARG 20 -6.514 7.407 7.160
120 HH12 ARG 20 2HH1 ARG 20 -7.459 6.881 8.514
121 HH21 ARG 20 1HH2 ARG 20 -10.478 8.113 7.253
122 HH22 ARG 20 2HH2 ARG 20 -9.713 7.282 8.565
123 H PHE 21 H PHE 21 -5.496 7.375 0.293
124 HA PHE 21 HA PHE 21 -2.794 8.393 -0.144
125 HB2 PHE 21 1HB PHE 21 -4.117 6.250 -1.801
126 HB3 PHE 21 2HB PHE 21 -2.824 7.261 -2.438
127 HD1 PHE 21 HD2 PHE 21 -3.625 4.964 0.373
128 HD2 PHE 21 HD1 PHE 21 -0.614 6.654 -2.116
129 HE1 PHE 21 HE2 PHE 21 -1.960 3.447 1.362
130 HE2 PHE 21 HE1 PHE 21 1.056 5.139 -1.131
131 HZ PHE 21 HZ PHE 21 0.384 3.533 0.612
132 H ARG 22 H ARG 22 -2.795 10.263 -1.229
133 HA ARG 22 HA ARG 22 -4.858 11.893 -1.650
134 HB2 ARG 22 1HB ARG 22 -2.386 11.545 -3.325
135 HB3 ARG 22 2HB ARG 22 -3.561 12.801 -3.691
136 HG2 ARG 22 1HG ARG 22 -2.352 12.533 -0.962
137 HG3 ARG 22 2HG ARG 22 -1.547 13.426 -2.254
138 HD2 ARG 22 1HD ARG 22 -4.352 13.962 -1.285
139 HD3 ARG 22 2HD ARG 22 -2.925 14.852 -0.758
140 HE ARG 22 HE ARG 22 -4.352 15.196 -3.203
141 HH11 ARG 22 1HH1 ARG 22 -1.195 15.391 -1.750
142 HH12 ARG 22 2HH1 ARG 22 -0.604 16.566 -2.879
143 HH21 ARG 22 1HH2 ARG 22 -3.587 16.741 -4.696
144 HH22 ARG 22 2HH2 ARG 22 -1.966 17.333 -4.554
145 H HIS 23 H HIS 23 -3.767 9.512 -4.053
146 HA HIS 23 HA HIS 23 -6.382 9.795 -5.384
147 HB2 HIS 23 1HB HIS 23 -3.627 9.547 -6.480
148 HB3 HIS 23 2HB HIS 23 -4.919 8.725 -7.350
149 HD2 HIS 23 HD2 HIS 23 -4.101 12.424 -6.219
150 HE1 HIS 23 HE1 HIS 23 -6.594 12.501 -9.652
151 HE2 HIS 23 HE2 HIS 23 -5.203 13.870 -8.060
152 H LEU 24 H LEU 24 -7.131 7.818 -6.507
153 HA LEU 24 HA LEU 24 -6.945 5.565 -4.740
154 HB2 LEU 24 1HB LEU 24 -9.035 6.268 -5.883
155 HB3 LEU 24 2HB LEU 24 -8.320 5.770 -7.415
156 HG LEU 24 HG LEU 24 -9.960 4.160 -6.394
157 HD11 LEU 24 1HD1 LEU 24 -7.573 3.719 -7.761
158 HD12 LEU 24 2HD1 LEU 24 -8.947 2.622 -7.631
159 HD13 LEU 24 3HD1 LEU 24 -7.609 2.499 -6.489
160 HD21 LEU 24 3HD2 LEU 24 -7.903 3.079 -4.604
161 HD22 LEU 24 1HD2 LEU 24 -9.647 3.214 -4.383
162 HD23 LEU 24 2HD2 LEU 24 -8.610 4.608 -4.078
163 H GLN 25 H GLN 25 -6.448 5.821 -8.267
164 HA GLN 25 HA GLN 25 -5.365 3.471 -8.906
165 HB2 GLN 25 1HB GLN 25 -3.942 4.590 -10.561
166 HB3 GLN 25 2HB GLN 25 -5.544 5.314 -10.499
167 HG2 GLN 25 1HG GLN 25 -4.742 7.209 -9.330
168 HG3 GLN 25 2HG GLN 25 -3.182 6.445 -9.028
169 HE21 GLN 25 1HE2 GLN 25 -2.400 8.478 -9.965
170 HE22 GLN 25 2HE2 GLN 25 -2.248 8.590 -11.682
171 H THR 26 H THR 26 -3.731 5.959 -7.035
172 HA THR 26 HA THR 26 -1.178 4.729 -6.996
173 HB THR 26 HB THR 26 -2.365 6.643 -4.977
174 HG1 THR 26 HG1 THR 26 -0.840 8.042 -6.386
175 HG21 THR 26 3HG2 THR 26 -0.279 6.920 -4.076
176 HG22 THR 26 1HG2 THR 26 0.546 6.481 -5.571
177 HG23 THR 26 2HG2 THR 26 -0.162 5.226 -4.554
178 H LEU 27 H LEU 27 -3.807 4.804 -4.592
179 HA LEU 27 HA LEU 27 -2.677 3.279 -2.606
180 HB2 LEU 27 1HB LEU 27 -4.786 4.305 -2.245
181 HB3 LEU 27 2HB LEU 27 -5.520 3.414 -3.576
182 HG LEU 27 HG LEU 27 -5.438 1.363 -2.305
183 HD11 LEU 27 1HD1 LEU 27 -4.048 3.018 -0.205
184 HD12 LEU 27 2HD1 LEU 27 -3.383 1.652 -1.100
185 HD13 LEU 27 3HD1 LEU 27 -4.687 1.395 0.058
186 HD21 LEU 27 3HD2 LEU 27 -7.022 3.572 -1.710
187 HD22 LEU 27 1HD2 LEU 27 -6.524 2.937 -0.142
188 HD23 LEU 27 2HD2 LEU 27 -7.349 1.888 -1.296
189 H LYS 28 H LYS 28 -4.528 2.100 -5.406
190 HA LYS 28 HA LYS 28 -4.557 -0.590 -4.924
191 HB2 LYS 28 1HB LYS 28 -4.352 1.016 -7.438
192 HB3 LYS 28 2HB LYS 28 -4.206 -0.734 -7.533
193 HG2 LYS 28 1HG LYS 28 -6.386 -1.089 -6.891
194 HG3 LYS 28 2HG LYS 28 -6.509 0.469 -6.069
195 HD2 LYS 28 1HD LYS 28 -6.665 1.639 -8.132
196 HD3 LYS 28 2HD LYS 28 -6.214 0.204 -9.055
197 HE2 LYS 28 1HE LYS 28 -8.732 0.498 -7.420
198 HE3 LYS 28 2HE LYS 28 -8.630 0.701 -9.168
199 HZ1 LYS 28 3HZ LYS 28 -7.474 -1.743 -8.619
200 HZ2 LYS 28 1HZ LYS 28 -8.982 -1.466 -9.334
201 HZ3 LYS 28 2HZ LYS 28 -8.867 -1.686 -7.661
202 H SER 29 H SER 29 -1.860 1.353 -6.074
203 HA SER 29 HA SER 29 -0.161 -0.917 -6.556
204 HB2 SER 29 1HB SER 29 0.257 2.062 -6.560
205 HB3 SER 29 2HB SER 29 1.625 0.956 -6.676
206 HG SER 29 HG SER 29 0.610 1.706 -8.712
207 H HIS 30 H HIS 30 -0.947 1.092 -3.868
208 HA HIS 30 HA HIS 30 1.419 0.622 -2.343
209 HB2 HIS 30 1HB HIS 30 0.309 2.500 -1.589
210 HB3 HIS 30 2HB HIS 30 -1.282 1.773 -1.795
211 HD1 HIS 30 HD1 HIS 30 1.729 1.423 0.502
212 HD2 HIS 30 HD2 HIS 30 -2.395 0.923 0.524
213 HE1 HIS 30 HE1 HIS 30 1.134 0.851 2.877
214 H LEU 31 H LEU 31 -1.280 -1.281 -3.115
215 HA LEU 31 HA LEU 31 -1.297 -2.881 -0.726
216 HB2 LEU 31 1HB LEU 31 -2.428 -3.820 -3.322
217 HB3 LEU 31 2HB LEU 31 -3.028 -4.069 -1.684
218 HG LEU 31 HG LEU 31 -3.295 -1.615 -3.405
219 HD11 LEU 31 1HD1 LEU 31 -5.737 -2.157 -2.429
220 HD12 LEU 31 2HD1 LEU 31 -5.060 -3.785 -2.472
221 HD13 LEU 31 3HD1 LEU 31 -5.124 -2.817 -3.945
222 HD21 LEU 31 3HD2 LEU 31 -4.484 -0.640 -1.423
223 HD22 LEU 31 1HD2 LEU 31 -2.733 -0.775 -1.250
224 HD23 LEU 31 2HD2 LEU 31 -3.790 -1.939 -0.451
225 H ARG 32 H ARG 32 0.718 -2.685 -3.400
226 HA ARG 32 HA ARG 32 1.344 -5.384 -3.886
227 HB2 ARG 32 1HB ARG 32 2.680 -2.770 -4.387
228 HB3 ARG 32 2HB ARG 32 3.660 -4.225 -4.510
229 HG2 ARG 32 1HG ARG 32 2.962 -4.067 -6.663
230 HG3 ARG 32 2HG ARG 32 1.633 -5.026 -6.008
231 HD2 ARG 32 1HD ARG 32 0.430 -3.411 -7.073
232 HD3 ARG 32 2HD ARG 32 0.637 -2.625 -5.508
233 HE ARG 32 HE ARG 32 1.913 -1.032 -6.531
234 HH11 ARG 32 1HH1 ARG 32 1.725 -3.822 -8.605
235 HH12 ARG 32 2HH1 ARG 32 2.532 -3.053 -9.931
236 HH21 ARG 32 1HH2 ARG 32 2.976 -0.008 -8.270
237 HH22 ARG 32 2HH2 ARG 32 3.244 -0.884 -9.739
238 H ILE 33 H ILE 33 2.678 -3.030 -1.608
239 HA ILE 33 HA ILE 33 4.738 -4.718 -0.624
240 HB ILE 33 HB ILE 33 5.102 -3.107 1.070
241 HG12 ILE 33 1HG1 ILE 33 2.387 -1.920 0.470
242 HG13 ILE 33 2HG1 ILE 33 2.705 -3.016 1.810
243 HG21 ILE 33 1HG2 ILE 33 4.300 -2.052 -1.587
244 HG22 ILE 33 2HG2 ILE 33 4.664 -0.892 -0.310
245 HG23 ILE 33 3HG2 ILE 33 5.881 -2.069 -0.804
246 HD11 ILE 33 3HD1 ILE 33 4.593 -0.882 1.881
247 HD12 ILE 33 1HD1 ILE 33 2.963 -0.221 1.750
248 HD13 ILE 33 2HD1 ILE 33 3.364 -1.325 3.066
249 H HIS 34 H HIS 34 1.359 -4.396 0.080
250 HA HIS 34 HA HIS 34 1.418 -5.663 2.638
251 HB2 HIS 34 1HB HIS 34 -0.763 -5.013 0.671
252 HB3 HIS 34 2HB HIS 34 -1.096 -5.977 2.106
253 HD1 HIS 34 HD1 HIS 34 0.275 -4.560 4.310
254 HD2 HIS 34 HD2 HIS 34 -1.586 -2.506 1.215
255 HE1 HIS 34 HE1 HIS 34 -0.211 -2.267 5.221
256 H THR 35 H THR 35 0.396 -6.781 -0.589
257 HA THR 35 HA THR 35 0.594 -9.549 0.372
258 HB THR 35 HB THR 35 -1.554 -8.967 -0.642
259 HG1 THR 35 HG1 THR 35 -0.392 -10.567 -2.619
260 HG21 THR 35 3HG2 THR 35 -0.747 -7.196 -2.150
261 HG22 THR 35 1HG2 THR 35 -1.725 -8.389 -3.003
262 HG23 THR 35 2HG2 THR 35 0.032 -8.418 -3.154
263 H GLY 36 H GLY 36 2.141 -10.884 -0.346
264 HA2 GLY 36 1HA GLY 36 3.281 -11.223 -2.748
265 HA3 GLY 36 2HA GLY 36 4.147 -9.814 -2.153
266 H SER 37 H SER 37 3.369 -13.185 -1.423
267 HA SER 37 HA SER 37 5.624 -13.311 0.436
268 HB2 SER 37 1HB SER 37 3.273 -15.097 -0.121
269 HB3 SER 37 2HB SER 37 4.689 -15.729 0.719
270 HG SER 37 HG SER 37 4.254 -13.569 1.978
271 H GLY 38 H GLY 38 7.502 -13.524 -0.639
272 HA2 GLY 38 1HA GLY 38 8.854 -15.473 -1.496
273 HA3 GLY 38 2HA GLY 38 7.634 -15.580 -2.756
274 HA PRO 39 HA PRO 39 11.091 -13.064 -4.466
275 HB2 PRO 39 1HB PRO 39 10.953 -14.166 -6.944
276 HB3 PRO 39 2HB PRO 39 11.878 -14.888 -5.622
277 HG2 PRO 39 1HG PRO 39 9.148 -15.591 -6.630
278 HG3 PRO 39 2HG PRO 39 10.477 -16.666 -6.155
279 HD2 PRO 39 1HD PRO 39 8.379 -16.137 -4.527
280 HD3 PRO 39 2HD PRO 39 10.012 -16.455 -3.908
281 H SER 40 H SER 40 7.767 -13.448 -5.075
282 HA SER 40 HA SER 40 7.599 -11.579 -7.263
283 HB2 SER 40 1HB SER 40 5.145 -11.800 -6.934
284 HB3 SER 40 2HB SER 40 5.948 -13.360 -7.106
285 HG SER 40 HG SER 40 5.308 -13.863 -5.175
286 H SER 41 H SER 41 7.484 -9.440 -7.120
287 HA SER 41 HA SER 41 7.249 -7.332 -6.295
288 HB2 SER 41 1HB SER 41 4.988 -8.373 -5.570
289 HB3 SER 41 2HB SER 41 5.699 -8.422 -3.957
290 HG SER 41 HG SER 41 4.449 -6.443 -4.795
291 H GLY 42 H GLY 42 9.563 -8.728 -5.654
292 HA2 GLY 42 1HA GLY 42 11.373 -7.851 -4.351
293 HA3 GLY 42 2HA GLY 42 10.224 -7.478 -3.075
Start of MODEL 2
1 H1 GLY 1 H GLY 1 18.215 24.226 5.969
2 HA2 GLY 1 1HA GLY 1 15.801 24.651 6.398
3 HA3 GLY 1 2HA GLY 1 16.248 25.048 4.746
4 H SER 2 H SER 2 14.024 23.475 6.583
5 HA SER 2 HA SER 2 13.548 21.121 5.080
6 HB2 SER 2 1HB SER 2 11.474 20.961 6.288
7 HB3 SER 2 2HB SER 2 12.695 21.571 7.405
8 HG SER 2 HG SER 2 11.782 23.727 6.514
9 H SER 3 H SER 3 11.370 20.785 3.953
10 HA SER 3 HA SER 3 10.562 23.124 2.387
11 HB2 SER 3 1HB SER 3 11.787 20.608 1.327
12 HB3 SER 3 2HB SER 3 10.547 21.419 0.371
13 HG SER 3 HG SER 3 12.109 22.665 -0.257
14 H GLY 4 H GLY 4 8.423 23.288 2.364
15 HA2 GLY 4 1HA GLY 4 6.830 20.913 3.041
16 HA3 GLY 4 2HA GLY 4 6.302 22.582 3.198
17 H SER 5 H SER 5 4.893 23.254 1.734
18 HA SER 5 HA SER 5 3.595 23.341 -0.134
19 HB2 SER 5 1HB SER 5 6.161 22.429 -1.460
20 HB3 SER 5 2HB SER 5 4.759 23.084 -2.306
21 HG SER 5 HG SER 5 5.788 24.902 -1.985
22 H SER 6 H SER 6 3.317 21.023 1.373
23 HA SER 6 HA SER 6 2.583 19.102 -0.724
24 HB2 SER 6 1HB SER 6 4.601 18.203 0.260
25 HB3 SER 6 2HB SER 6 3.967 18.448 1.887
26 HG SER 6 HG SER 6 3.780 16.263 1.055
27 H GLY 7 H GLY 7 0.545 18.392 -0.579
28 HA2 GLY 7 1HA GLY 7 -0.863 17.834 1.767
29 HA3 GLY 7 2HA GLY 7 -1.245 19.487 1.311
30 H GLY 8 H GLY 8 -1.896 16.191 0.770
31 HA2 GLY 8 1HA GLY 8 -3.833 16.944 -1.313
32 HA3 GLY 8 2HA GLY 8 -2.755 15.585 -1.592
33 H GLU 9 H GLU 9 -5.741 16.535 -0.397
34 HA GLU 9 HA GLU 9 -6.324 14.894 1.712
35 HB2 GLU 9 1HB GLU 9 -8.061 15.572 -0.665
36 HB3 GLU 9 2HB GLU 9 -8.660 14.808 0.801
37 HG2 GLU 9 1HG GLU 9 -7.988 16.749 2.104
38 HG3 GLU 9 2HG GLU 9 -7.352 17.515 0.650
39 H LYS 10 H LYS 10 -6.576 12.770 2.059
40 HA LYS 10 HA LYS 10 -6.249 10.974 -0.247
41 HB2 LYS 10 1HB LYS 10 -5.733 10.431 2.683
42 HB3 LYS 10 2HB LYS 10 -5.437 9.310 1.361
43 HG2 LYS 10 1HG LYS 10 -3.337 10.123 1.626
44 HG3 LYS 10 2HG LYS 10 -3.952 11.315 0.478
45 HD2 LYS 10 1HD LYS 10 -4.234 12.938 2.131
46 HD3 LYS 10 2HD LYS 10 -4.205 11.748 3.435
47 HE2 LYS 10 1HE LYS 10 -1.808 12.192 1.690
48 HE3 LYS 10 2HE LYS 10 -2.134 13.244 3.066
49 HZ1 LYS 10 3HZ LYS 10 -1.587 10.335 3.086
50 HZ2 LYS 10 1HZ LYS 10 -2.259 11.135 4.418
51 HZ3 LYS 10 2HZ LYS 10 -0.722 11.567 3.858
52 HA PRO 11 HA PRO 11 -10.633 10.414 1.209
53 HB2 PRO 11 1HB PRO 11 -11.718 10.451 -1.279
54 HB3 PRO 11 2HB PRO 11 -11.433 11.917 -0.334
55 HG2 PRO 11 1HG PRO 11 -9.786 10.733 -2.535
56 HG3 PRO 11 2HG PRO 11 -10.220 12.428 -2.250
57 HD2 PRO 11 1HD PRO 11 -7.802 11.411 -1.581
58 HD3 PRO 11 2HD PRO 11 -8.580 12.711 -0.656
59 H TYR 12 H TYR 12 -8.287 8.682 -0.312
60 HA TYR 12 HA TYR 12 -10.055 6.355 -0.700
61 HB2 TYR 12 1HB TYR 12 -7.458 7.023 -2.098
62 HB3 TYR 12 2HB TYR 12 -8.322 5.500 -2.277
63 HD1 TYR 12 HD1 TYR 12 -8.510 9.138 -2.913
64 HD2 TYR 12 HD2 TYR 12 -10.193 5.316 -3.728
65 HE1 TYR 12 HE1 TYR 12 -9.850 10.121 -4.726
66 HE2 TYR 12 HE2 TYR 12 -11.537 6.289 -5.544
67 HH TYR 12 HH TYR 12 -11.419 8.286 -7.056
68 HA PRO 13 HA PRO 13 -7.395 5.320 2.896
69 HB2 PRO 13 1HB PRO 13 -9.291 3.814 4.124
70 HB3 PRO 13 2HB PRO 13 -9.203 5.572 4.292
71 HG2 PRO 13 1HG PRO 13 -10.966 3.924 2.521
72 HG3 PRO 13 2HG PRO 13 -11.375 5.349 3.494
73 HD2 PRO 13 1HD PRO 13 -10.929 5.486 0.826
74 HD3 PRO 13 2HD PRO 13 -10.526 6.816 1.931
75 H CYS 14 H CYS 14 -6.294 3.432 3.317
76 HA CYS 14 HA CYS 14 -6.325 1.437 1.272
77 HB2 CYS 14 1HB CYS 14 -4.212 1.998 2.244
78 HB3 CYS 14 2HB CYS 14 -4.806 1.679 3.870
79 H GLU 15 H GLU 15 -6.469 -0.901 1.732
80 HA GLU 15 HA GLU 15 -8.722 -1.426 3.536
81 HB2 GLU 15 1HB GLU 15 -9.064 -3.472 2.219
82 HB3 GLU 15 2HB GLU 15 -9.085 -2.037 1.205
83 HG2 GLU 15 1HG GLU 15 -6.813 -2.485 0.482
84 HG3 GLU 15 2HG GLU 15 -6.741 -3.894 1.538
85 H ILE 16 H ILE 16 -5.472 -2.516 2.725
86 HA ILE 16 HA ILE 16 -5.398 -4.722 4.492
87 HB ILE 16 HB ILE 16 -3.098 -3.052 3.468
88 HG12 ILE 16 1HG1 ILE 16 -2.978 -5.287 2.007
89 HG13 ILE 16 2HG1 ILE 16 -4.712 -5.270 2.308
90 HG21 ILE 16 1HG2 ILE 16 -3.260 -5.536 5.078
91 HG22 ILE 16 2HG2 ILE 16 -2.019 -5.455 3.828
92 HG23 ILE 16 3HG2 ILE 16 -2.063 -4.241 5.107
93 HD11 ILE 16 3HD1 ILE 16 -3.196 -3.771 0.420
94 HD12 ILE 16 1HD1 ILE 16 -4.945 -3.853 0.632
95 HD13 ILE 16 2HD1 ILE 16 -4.002 -2.664 1.531
96 H CYS 17 H CYS 17 -3.499 -1.729 4.841
97 HA CYS 17 HA CYS 17 -3.539 -2.069 7.732
98 HB2 CYS 17 1HB CYS 17 -1.899 -0.199 7.722
99 HB3 CYS 17 2HB CYS 17 -1.394 -1.565 6.733
100 H GLY 18 H GLY 18 -4.407 0.405 5.328
101 HA2 GLY 18 1HA GLY 18 -6.705 1.370 5.877
102 HA3 GLY 18 2HA GLY 18 -5.971 1.772 7.422
103 H THR 19 H THR 19 -3.389 2.289 5.865
104 HA THR 19 HA THR 19 -3.347 5.002 5.851
105 HB THR 19 HB THR 19 -1.865 3.079 4.067
106 HG1 THR 19 HG1 THR 19 -0.155 4.105 5.548
107 HG21 THR 19 3HG2 THR 19 -1.720 6.077 4.162
108 HG22 THR 19 1HG2 THR 19 -1.790 5.016 2.755
109 HG23 THR 19 2HG2 THR 19 -0.315 5.107 3.718
110 H ARG 20 H ARG 20 -3.909 6.660 4.519
111 HA ARG 20 HA ARG 20 -5.621 5.963 2.238
112 HB2 ARG 20 1HB ARG 20 -5.409 8.664 3.560
113 HB3 ARG 20 2HB ARG 20 -6.687 8.072 2.507
114 HG2 ARG 20 1HG ARG 20 -7.697 6.881 4.166
115 HG3 ARG 20 2HG ARG 20 -6.191 6.620 5.047
116 HD2 ARG 20 1HD ARG 20 -6.291 8.660 6.095
117 HD3 ARG 20 2HD ARG 20 -7.249 9.393 4.809
118 HE ARG 20 HE ARG 20 -8.656 7.344 6.240
119 HH11 ARG 20 1HH1 ARG 20 -7.767 10.710 6.228
120 HH12 ARG 20 2HH1 ARG 20 -9.109 11.203 7.208
121 HH21 ARG 20 1HH2 ARG 20 -10.426 7.980 7.531
122 HH22 ARG 20 2HH2 ARG 20 -10.620 9.649 7.949
123 H PHE 21 H PHE 21 -5.353 6.937 0.226
124 HA PHE 21 HA PHE 21 -2.798 8.351 -0.164
125 HB2 PHE 21 1HB PHE 21 -4.070 6.207 -1.864
126 HB3 PHE 21 2HB PHE 21 -2.786 7.253 -2.458
127 HD1 PHE 21 HD2 PHE 21 -3.592 4.837 0.244
128 HD2 PHE 21 HD1 PHE 21 -0.561 6.706 -2.089
129 HE1 PHE 21 HE2 PHE 21 -1.915 3.319 1.213
130 HE2 PHE 21 HE1 PHE 21 1.120 5.190 -1.124
131 HZ PHE 21 HZ PHE 21 0.445 3.495 0.530
132 H ARG 22 H ARG 22 -2.795 10.114 -1.488
133 HA ARG 22 HA ARG 22 -4.920 11.749 -1.759
134 HB2 ARG 22 1HB ARG 22 -2.408 12.030 -2.477
135 HB3 ARG 22 2HB ARG 22 -3.025 11.613 -4.070
136 HG2 ARG 22 1HG ARG 22 -4.474 13.503 -4.088
137 HG3 ARG 22 2HG ARG 22 -4.126 13.853 -2.393
138 HD2 ARG 22 1HD ARG 22 -1.840 14.398 -2.929
139 HD3 ARG 22 2HD ARG 22 -2.079 13.906 -4.605
140 HE ARG 22 HE ARG 22 -2.796 16.413 -3.425
141 HH11 ARG 22 1HH1 ARG 22 -3.584 14.137 -5.939
142 HH12 ARG 22 2HH1 ARG 22 -4.317 15.325 -6.965
143 HH21 ARG 22 1HH2 ARG 22 -3.758 17.987 -4.767
144 HH22 ARG 22 2HH2 ARG 22 -4.414 17.515 -6.298
145 H HIS 23 H HIS 23 -3.897 9.399 -4.231
146 HA HIS 23 HA HIS 23 -6.622 9.537 -5.347
147 HB2 HIS 23 1HB HIS 23 -3.958 9.485 -6.698
148 HB3 HIS 23 2HB HIS 23 -5.316 8.690 -7.489
149 HD2 HIS 23 HD2 HIS 23 -5.815 12.094 -5.618
150 HE1 HIS 23 HE1 HIS 23 -6.272 12.738 -9.787
151 HE2 HIS 23 HE2 HIS 23 -6.379 13.780 -7.496
152 H LEU 24 H LEU 24 -7.302 7.540 -6.484
153 HA LEU 24 HA LEU 24 -6.830 5.262 -4.821
154 HB2 LEU 24 1HB LEU 24 -9.002 5.899 -5.961
155 HB3 LEU 24 2HB LEU 24 -8.285 5.293 -7.452
156 HG LEU 24 HG LEU 24 -8.341 3.080 -6.723
157 HD11 LEU 24 1HD1 LEU 24 -8.369 4.281 -4.004
158 HD12 LEU 24 2HD1 LEU 24 -7.402 2.954 -4.646
159 HD13 LEU 24 3HD1 LEU 24 -9.095 2.689 -4.230
160 HD21 LEU 24 3HD2 LEU 24 -10.777 4.438 -5.576
161 HD22 LEU 24 1HD2 LEU 24 -10.640 2.713 -5.917
162 HD23 LEU 24 2HD2 LEU 24 -10.565 3.881 -7.236
163 H GLN 25 H GLN 25 -6.300 5.873 -8.295
164 HA GLN 25 HA GLN 25 -5.139 3.596 -9.133
165 HB2 GLN 25 1HB GLN 25 -3.693 4.973 -10.626
166 HB3 GLN 25 2HB GLN 25 -5.382 5.462 -10.629
167 HG2 GLN 25 1HG GLN 25 -4.958 7.423 -9.494
168 HG3 GLN 25 2HG GLN 25 -3.448 6.821 -8.810
169 HE21 GLN 25 1HE2 GLN 25 -4.730 8.875 -11.020
170 HE22 GLN 25 2HE2 GLN 25 -3.382 9.036 -12.089
171 H THR 26 H THR 26 -3.708 5.932 -6.957
172 HA THR 26 HA THR 26 -1.097 4.716 -7.009
173 HB THR 26 HB THR 26 -2.219 6.726 -5.047
174 HG1 THR 26 HG1 THR 26 -2.078 7.306 -7.388
175 HG21 THR 26 3HG2 THR 26 0.075 5.237 -4.823
176 HG22 THR 26 1HG2 THR 26 -0.204 6.801 -4.059
177 HG23 THR 26 2HG2 THR 26 0.653 6.711 -5.598
178 H LEU 27 H LEU 27 -3.871 4.748 -4.809
179 HA LEU 27 HA LEU 27 -2.733 3.322 -2.695
180 HB2 LEU 27 1HB LEU 27 -4.815 4.422 -2.378
181 HB3 LEU 27 2HB LEU 27 -5.567 3.510 -3.684
182 HG LEU 27 HG LEU 27 -5.658 1.535 -2.370
183 HD11 LEU 27 1HD1 LEU 27 -3.389 1.876 -1.346
184 HD12 LEU 27 2HD1 LEU 27 -4.623 1.243 -0.257
185 HD13 LEU 27 3HD1 LEU 27 -4.161 2.943 -0.172
186 HD21 LEU 27 3HD2 LEU 27 -7.431 2.259 -1.246
187 HD22 LEU 27 1HD2 LEU 27 -6.930 3.909 -1.620
188 HD23 LEU 27 2HD2 LEU 27 -6.415 3.151 -0.113
189 H LYS 28 H LYS 28 -4.593 2.137 -5.485
190 HA LYS 28 HA LYS 28 -4.647 -0.557 -4.902
191 HB2 LYS 28 1HB LYS 28 -4.390 0.844 -7.564
192 HB3 LYS 28 2HB LYS 28 -4.660 -0.888 -7.413
193 HG2 LYS 28 1HG LYS 28 -6.797 -0.598 -6.520
194 HG3 LYS 28 2HG LYS 28 -6.497 1.096 -6.121
195 HD2 LYS 28 1HD LYS 28 -6.731 1.786 -8.327
196 HD3 LYS 28 2HD LYS 28 -6.411 0.173 -8.969
197 HE2 LYS 28 1HE LYS 28 -8.837 0.729 -7.296
198 HE3 LYS 28 2HE LYS 28 -8.827 1.068 -9.026
199 HZ1 LYS 28 3HZ LYS 28 -9.643 -1.216 -8.183
200 HZ2 LYS 28 1HZ LYS 28 -7.996 -1.580 -8.046
201 HZ3 LYS 28 2HZ LYS 28 -8.645 -1.152 -9.548
202 H SER 29 H SER 29 -1.973 1.393 -5.959
203 HA SER 29 HA SER 29 -0.314 -0.900 -6.594
204 HB2 SER 29 1HB SER 29 -0.127 1.213 -7.889
205 HB3 SER 29 2HB SER 29 0.439 2.028 -6.432
206 HG SER 29 HG SER 29 2.318 1.008 -6.566
207 H HIS 30 H HIS 30 -1.051 1.055 -3.881
208 HA HIS 30 HA HIS 30 1.394 0.671 -2.452
209 HB2 HIS 30 1HB HIS 30 0.286 2.500 -1.614
210 HB3 HIS 30 2HB HIS 30 -1.303 1.772 -1.830
211 HD1 HIS 30 HD1 HIS 30 1.709 1.438 0.461
212 HD2 HIS 30 HD2 HIS 30 -2.399 0.814 0.460
213 HE1 HIS 30 HE1 HIS 30 1.126 0.798 2.822
214 H LEU 31 H LEU 31 -1.340 -1.274 -3.069
215 HA LEU 31 HA LEU 31 -1.183 -2.891 -0.706
216 HB2 LEU 31 1HB LEU 31 -2.414 -3.884 -3.227
217 HB3 LEU 31 2HB LEU 31 -2.949 -4.086 -1.560
218 HG LEU 31 HG LEU 31 -3.330 -1.718 -3.372
219 HD11 LEU 31 1HD1 LEU 31 -5.196 -3.504 -1.821
220 HD12 LEU 31 2HD1 LEU 31 -5.005 -3.426 -3.572
221 HD13 LEU 31 3HD1 LEU 31 -5.692 -2.056 -2.698
222 HD21 LEU 31 3HD2 LEU 31 -3.521 -1.864 -0.377
223 HD22 LEU 31 1HD2 LEU 31 -4.432 -0.687 -1.323
224 HD23 LEU 31 2HD2 LEU 31 -2.669 -0.680 -1.371
225 H ARG 32 H ARG 32 0.858 -2.566 -3.256
226 HA ARG 32 HA ARG 32 1.473 -5.265 -3.884
227 HB2 ARG 32 1HB ARG 32 2.732 -2.613 -4.363
228 HB3 ARG 32 2HB ARG 32 3.760 -4.032 -4.509
229 HG2 ARG 32 1HG ARG 32 2.985 -3.659 -6.670
230 HG3 ARG 32 2HG ARG 32 1.954 -4.957 -6.064
231 HD2 ARG 32 1HD ARG 32 0.395 -2.997 -5.340
232 HD3 ARG 32 2HD ARG 32 1.305 -2.079 -6.539
233 HE ARG 32 HE ARG 32 0.261 -3.267 -8.206
234 HH11 ARG 32 1HH1 ARG 32 -0.335 -4.791 -5.133
235 HH12 ARG 32 2HH1 ARG 32 -1.529 -5.880 -5.757
236 HH21 ARG 32 1HH2 ARG 32 -1.309 -4.696 -9.040
237 HH22 ARG 32 2HH2 ARG 32 -2.081 -5.826 -7.980
238 H ILE 33 H ILE 33 2.507 -3.057 -1.384
239 HA ILE 33 HA ILE 33 4.698 -4.727 -0.522
240 HB ILE 33 HB ILE 33 5.101 -3.127 1.180
241 HG12 ILE 33 1HG1 ILE 33 2.422 -1.866 0.568
242 HG13 ILE 33 2HG1 ILE 33 2.701 -2.972 1.908
243 HG21 ILE 33 1HG2 ILE 33 4.663 -2.311 -1.538
244 HG22 ILE 33 2HG2 ILE 33 4.383 -0.960 -0.441
245 HG23 ILE 33 3HG2 ILE 33 5.925 -1.815 -0.411
246 HD11 ILE 33 3HD1 ILE 33 4.357 -0.505 1.617
247 HD12 ILE 33 1HD1 ILE 33 2.746 -0.430 2.330
248 HD13 ILE 33 2HD1 ILE 33 3.990 -1.444 3.064
249 H HIS 34 H HIS 34 1.338 -4.604 -0.001
250 HA HIS 34 HA HIS 34 1.390 -5.796 2.631
251 HB2 HIS 34 1HB HIS 34 -0.799 -5.106 0.684
252 HB3 HIS 34 2HB HIS 34 -1.127 -6.058 2.129
253 HD1 HIS 34 HD1 HIS 34 0.300 -4.646 4.304
254 HD2 HIS 34 HD2 HIS 34 -1.589 -2.588 1.229
255 HE1 HIS 34 HE1 HIS 34 -0.145 -2.342 5.210
256 H THR 35 H THR 35 0.536 -6.840 -0.657
257 HA THR 35 HA THR 35 0.691 -9.632 0.274
258 HB THR 35 HB THR 35 -1.517 -8.994 -0.633
259 HG1 THR 35 HG1 THR 35 0.088 -11.005 -1.591
260 HG21 THR 35 3HG2 THR 35 -0.430 -7.353 -2.311
261 HG22 THR 35 1HG2 THR 35 -1.858 -8.255 -2.819
262 HG23 THR 35 2HG2 THR 35 -0.256 -8.770 -3.346
263 H GLY 36 H GLY 36 2.447 -10.705 -0.334
264 HA2 GLY 36 1HA GLY 36 3.540 -10.261 -3.014
265 HA3 GLY 36 2HA GLY 36 4.616 -10.010 -1.646
266 H SER 37 H SER 37 5.215 -11.863 -3.592
267 HA SER 37 HA SER 37 4.693 -14.431 -2.241
268 HB2 SER 37 1HB SER 37 3.851 -14.148 -4.628
269 HB3 SER 37 2HB SER 37 5.544 -14.106 -5.121
270 HG SER 37 HG SER 37 5.633 -16.182 -3.840
271 H GLY 38 H GLY 38 6.422 -14.323 -0.808
272 HA2 GLY 38 1HA GLY 38 8.584 -15.294 -0.467
273 HA3 GLY 38 2HA GLY 38 9.046 -14.742 -2.070
274 HA PRO 39 HA PRO 39 10.316 -11.741 1.422
275 HB2 PRO 39 1HB PRO 39 12.933 -12.431 1.642
276 HB3 PRO 39 2HB PRO 39 11.660 -13.162 2.628
277 HG2 PRO 39 1HG PRO 39 12.984 -14.217 0.160
278 HG3 PRO 39 2HG PRO 39 12.566 -15.070 1.657
279 HD2 PRO 39 1HD PRO 39 11.057 -15.237 -0.585
280 HD3 PRO 39 2HD PRO 39 10.358 -15.323 1.044
281 H SER 40 H SER 40 10.244 -9.980 0.111
282 HA SER 40 HA SER 40 12.297 -9.718 -1.976
283 HB2 SER 40 1HB SER 40 9.946 -9.468 -2.711
284 HB3 SER 40 2HB SER 40 9.754 -8.117 -1.593
285 HG SER 40 HG SER 40 11.481 -7.082 -2.773
286 H SER 41 H SER 41 13.954 -8.398 -1.653
287 HA SER 41 HA SER 41 14.517 -7.088 0.698
288 HB2 SER 41 1HB SER 41 16.089 -7.590 -1.250
289 HB3 SER 41 2HB SER 41 15.499 -6.097 -1.980
290 HG SER 41 HG SER 41 16.359 -5.978 0.667
291 H GLY 42 H GLY 42 13.007 -5.763 1.581
292 HA2 GLY 42 1HA GLY 42 12.743 -3.128 0.451
293 HA3 GLY 42 2HA GLY 42 11.244 -4.046 0.419
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -7.453 18.698 23.574
2 HA2 GLY 1 1HA GLY 1 -5.250 18.644 22.912
3 HA3 GLY 1 2HA GLY 1 -5.608 17.151 22.057
4 H SER 2 H SER 2 -4.294 17.786 20.311
5 HA SER 2 HA SER 2 -5.636 19.641 18.485
6 HB2 SER 2 1HB SER 2 -3.692 20.878 17.985
7 HB3 SER 2 2HB SER 2 -3.678 20.746 19.743
8 HG SER 2 HG SER 2 -1.735 20.113 18.208
9 H SER 3 H SER 3 -6.043 18.586 16.670
10 HA SER 3 HA SER 3 -4.971 16.068 16.031
11 HB2 SER 3 1HB SER 3 -7.171 17.094 15.227
12 HB3 SER 3 2HB SER 3 -6.209 17.952 14.023
13 HG SER 3 HG SER 3 -6.823 16.091 13.048
14 H GLY 4 H GLY 4 -4.472 19.178 14.343
15 HA2 GLY 4 1HA GLY 4 -2.474 20.034 13.498
16 HA3 GLY 4 2HA GLY 4 -1.669 18.539 13.953
17 H SER 5 H SER 5 -3.712 20.071 11.534
18 HA SER 5 HA SER 5 -4.229 18.194 9.700
19 HB2 SER 5 1HB SER 5 -4.623 20.638 9.395
20 HB3 SER 5 2HB SER 5 -2.919 20.827 8.981
21 HG SER 5 HG SER 5 -3.423 20.242 7.039
22 H SER 6 H SER 6 -3.191 17.162 7.970
23 HA SER 6 HA SER 6 -0.272 16.936 8.289
24 HB2 SER 6 1HB SER 6 -2.309 14.922 7.319
25 HB3 SER 6 2HB SER 6 -0.566 14.680 7.199
26 HG SER 6 HG SER 6 -1.933 15.209 9.628
27 H GLY 7 H GLY 7 -2.855 16.814 5.840
28 HA2 GLY 7 1HA GLY 7 -2.564 18.345 3.917
29 HA3 GLY 7 2HA GLY 7 -0.884 17.831 3.885
30 H GLY 8 H GLY 8 -3.755 17.478 2.362
31 HA2 GLY 8 1HA GLY 8 -3.742 16.054 0.377
32 HA3 GLY 8 2HA GLY 8 -2.992 14.806 1.361
33 H GLU 9 H GLU 9 -5.779 15.609 -0.097
34 HA GLU 9 HA GLU 9 -7.781 15.168 1.807
35 HB2 GLU 9 1HB GLU 9 -7.733 14.613 -1.161
36 HB3 GLU 9 2HB GLU 9 -9.179 14.479 -0.170
37 HG2 GLU 9 1HG GLU 9 -7.559 16.998 -0.438
38 HG3 GLU 9 2HG GLU 9 -8.965 16.616 -1.430
39 H LYS 10 H LYS 10 -6.068 12.887 -0.300
40 HA LYS 10 HA LYS 10 -6.166 10.586 -0.407
41 HB2 LYS 10 1HB LYS 10 -5.769 11.050 2.556
42 HB3 LYS 10 2HB LYS 10 -5.408 9.554 1.703
43 HG2 LYS 10 1HG LYS 10 -3.568 10.448 0.635
44 HG3 LYS 10 2HG LYS 10 -4.133 12.109 0.831
45 HD2 LYS 10 1HD LYS 10 -3.397 10.415 3.197
46 HD3 LYS 10 2HD LYS 10 -2.176 11.315 2.295
47 HE2 LYS 10 1HE LYS 10 -3.360 13.393 2.729
48 HE3 LYS 10 2HE LYS 10 -4.637 12.512 3.567
49 HZ1 LYS 10 3HZ LYS 10 -3.399 13.090 5.348
50 HZ2 LYS 10 1HZ LYS 10 -1.957 13.205 4.471
51 HZ3 LYS 10 2HZ LYS 10 -2.539 11.690 4.945
52 HA PRO 11 HA PRO 11 -10.568 10.408 1.330
53 HB2 PRO 11 1HB PRO 11 -11.868 10.417 -1.053
54 HB3 PRO 11 2HB PRO 11 -11.478 11.896 -0.166
55 HG2 PRO 11 1HG PRO 11 -10.051 10.643 -2.480
56 HG3 PRO 11 2HG PRO 11 -10.432 12.351 -2.192
57 HD2 PRO 11 1HD PRO 11 -7.979 11.306 -1.718
58 HD3 PRO 11 2HD PRO 11 -8.653 12.636 -0.754
59 H TYR 12 H TYR 12 -8.392 8.610 -0.358
60 HA TYR 12 HA TYR 12 -10.226 6.312 -0.571
61 HB2 TYR 12 1HB TYR 12 -7.698 6.882 -2.129
62 HB3 TYR 12 2HB TYR 12 -8.626 5.390 -2.237
63 HD1 TYR 12 HD1 TYR 12 -8.754 9.036 -2.876
64 HD2 TYR 12 HD2 TYR 12 -10.547 5.248 -3.610
65 HE1 TYR 12 HE1 TYR 12 -10.162 10.047 -4.622
66 HE2 TYR 12 HE2 TYR 12 -11.959 6.248 -5.359
67 HH TYR 12 HH TYR 12 -11.396 9.335 -6.633
68 HA PRO 13 HA PRO 13 -7.397 5.263 2.881
69 HB2 PRO 13 1HB PRO 13 -9.240 3.777 4.209
70 HB3 PRO 13 2HB PRO 13 -9.132 5.534 4.362
71 HG2 PRO 13 1HG PRO 13 -10.990 3.889 2.688
72 HG3 PRO 13 2HG PRO 13 -11.343 5.322 3.671
73 HD2 PRO 13 1HD PRO 13 -11.026 5.441 0.985
74 HD3 PRO 13 2HD PRO 13 -10.561 6.774 2.061
75 H CYS 14 H CYS 14 -6.249 3.397 3.201
76 HA CYS 14 HA CYS 14 -6.377 1.396 1.188
77 HB2 CYS 14 1HB CYS 14 -4.238 1.931 2.123
78 HB3 CYS 14 2HB CYS 14 -4.802 1.596 3.757
79 H GLU 15 H GLU 15 -6.538 -0.944 1.634
80 HA GLU 15 HA GLU 15 -8.776 -1.455 3.456
81 HB2 GLU 15 1HB GLU 15 -9.242 -2.130 1.211
82 HB3 GLU 15 2HB GLU 15 -7.704 -2.971 1.079
83 HG2 GLU 15 1HG GLU 15 -9.102 -4.734 1.407
84 HG3 GLU 15 2HG GLU 15 -8.660 -4.376 3.075
85 H ILE 16 H ILE 16 -5.531 -2.571 2.652
86 HA ILE 16 HA ILE 16 -5.451 -4.761 4.427
87 HB ILE 16 HB ILE 16 -3.172 -3.064 3.402
88 HG12 ILE 16 1HG1 ILE 16 -2.981 -5.339 2.011
89 HG13 ILE 16 2HG1 ILE 16 -4.718 -5.359 2.300
90 HG21 ILE 16 1HG2 ILE 16 -2.203 -5.596 3.868
91 HG22 ILE 16 2HG2 ILE 16 -1.955 -4.187 4.898
92 HG23 ILE 16 3HG2 ILE 16 -3.267 -5.314 5.246
93 HD11 ILE 16 3HD1 ILE 16 -3.257 -3.917 0.350
94 HD12 ILE 16 1HD1 ILE 16 -5.000 -3.966 0.613
95 HD13 ILE 16 2HD1 ILE 16 -4.017 -2.758 1.440
96 H CYS 17 H CYS 17 -3.589 -1.749 4.807
97 HA CYS 17 HA CYS 17 -3.721 -2.085 7.705
98 HB2 CYS 17 1HB CYS 17 -1.992 -0.321 7.764
99 HB3 CYS 17 2HB CYS 17 -1.520 -1.677 6.746
100 H GLY 18 H GLY 18 -4.369 0.409 5.249
101 HA2 GLY 18 1HA GLY 18 -6.660 1.460 5.706
102 HA3 GLY 18 2HA GLY 18 -5.953 1.869 7.262
103 H THR 19 H THR 19 -3.304 2.312 5.909
104 HA THR 19 HA THR 19 -3.187 5.005 5.783
105 HB THR 19 HB THR 19 -1.667 3.020 4.093
106 HG1 THR 19 HG1 THR 19 -1.216 2.921 6.304
107 HG21 THR 19 3HG2 THR 19 -0.063 4.828 3.642
108 HG22 THR 19 1HG2 THR 19 -1.146 5.977 4.426
109 HG23 THR 19 2HG2 THR 19 -1.644 5.170 2.939
110 H ARG 20 H ARG 20 -4.156 6.531 4.632
111 HA ARG 20 HA ARG 20 -5.604 5.843 2.222
112 HB2 ARG 20 1HB ARG 20 -5.324 8.584 3.448
113 HB3 ARG 20 2HB ARG 20 -6.593 8.005 2.377
114 HG2 ARG 20 1HG ARG 20 -7.674 6.864 4.044
115 HG3 ARG 20 2HG ARG 20 -6.207 6.662 5.004
116 HD2 ARG 20 1HD ARG 20 -6.377 8.734 5.952
117 HD3 ARG 20 2HD ARG 20 -7.210 9.422 4.558
118 HE ARG 20 HE ARG 20 -8.832 7.500 5.876
119 HH11 ARG 20 1HH1 ARG 20 -7.662 10.770 6.118
120 HH12 ARG 20 2HH1 ARG 20 -9.018 11.325 7.043
121 HH21 ARG 20 1HH2 ARG 20 -10.622 8.218 7.094
122 HH22 ARG 20 2HH2 ARG 20 -10.701 9.872 7.599
123 H PHE 21 H PHE 21 -5.464 7.334 0.312
124 HA PHE 21 HA PHE 21 -2.785 8.426 -0.123
125 HB2 PHE 21 1HB PHE 21 -4.106 6.303 -1.811
126 HB3 PHE 21 2HB PHE 21 -2.799 7.316 -2.417
127 HD1 PHE 21 HD2 PHE 21 -3.641 4.989 0.359
128 HD2 PHE 21 HD1 PHE 21 -0.600 6.677 -2.095
129 HE1 PHE 21 HE2 PHE 21 -1.996 3.444 1.340
130 HE2 PHE 21 HE1 PHE 21 1.049 5.134 -1.119
131 HZ PHE 21 HZ PHE 21 0.352 3.516 0.602
132 H ARG 22 H ARG 22 -2.774 10.264 -1.286
133 HA ARG 22 HA ARG 22 -4.883 11.888 -1.647
134 HB2 ARG 22 1HB ARG 22 -3.631 13.051 -3.409
135 HB3 ARG 22 2HB ARG 22 -2.584 12.592 -2.073
136 HG2 ARG 22 1HG ARG 22 -1.683 10.759 -3.331
137 HG3 ARG 22 2HG ARG 22 -2.837 11.039 -4.638
138 HD2 ARG 22 1HD ARG 22 -1.778 12.994 -5.320
139 HD3 ARG 22 2HD ARG 22 -0.956 13.201 -3.773
140 HE ARG 22 HE ARG 22 -0.105 11.559 -5.999
141 HH11 ARG 22 1HH1 ARG 22 0.241 12.289 -2.612
142 HH12 ARG 22 2HH1 ARG 22 1.824 11.596 -2.491
143 HH21 ARG 22 1HH2 ARG 22 1.980 10.644 -5.852
144 HH22 ARG 22 2HH2 ARG 22 2.813 10.662 -4.334
145 H HIS 23 H HIS 23 -3.796 9.463 -3.994
146 HA HIS 23 HA HIS 23 -6.379 9.772 -5.379
147 HB2 HIS 23 1HB HIS 23 -3.616 9.334 -6.459
148 HB3 HIS 23 2HB HIS 23 -5.011 8.747 -7.361
149 HD2 HIS 23 HD2 HIS 23 -4.728 12.271 -5.591
150 HE1 HIS 23 HE1 HIS 23 -5.398 12.813 -9.745
151 HE2 HIS 23 HE2 HIS 23 -5.061 13.955 -7.526
152 H LEU 24 H LEU 24 -7.124 7.785 -6.497
153 HA LEU 24 HA LEU 24 -6.962 5.547 -4.698
154 HB2 LEU 24 1HB LEU 24 -9.067 6.232 -5.780
155 HB3 LEU 24 2HB LEU 24 -8.381 5.805 -7.346
156 HG LEU 24 HG LEU 24 -9.963 4.120 -6.459
157 HD11 LEU 24 1HD1 LEU 24 -7.644 3.729 -7.798
158 HD12 LEU 24 2HD1 LEU 24 -8.825 2.463 -7.460
159 HD13 LEU 24 3HD1 LEU 24 -7.416 2.657 -6.416
160 HD21 LEU 24 3HD2 LEU 24 -9.854 3.369 -4.373
161 HD22 LEU 24 1HD2 LEU 24 -8.569 4.538 -4.069
162 HD23 LEU 24 2HD2 LEU 24 -8.166 2.898 -4.576
163 H GLN 25 H GLN 25 -6.470 5.812 -8.225
164 HA GLN 25 HA GLN 25 -5.443 3.442 -8.886
165 HB2 GLN 25 1HB GLN 25 -3.986 4.547 -10.525
166 HB3 GLN 25 2HB GLN 25 -5.577 5.295 -10.466
167 HG2 GLN 25 1HG GLN 25 -4.285 7.158 -10.494
168 HG3 GLN 25 2HG GLN 25 -4.378 6.898 -8.753
169 HE21 GLN 25 1HE2 GLN 25 -2.373 8.402 -9.566
170 HE22 GLN 25 2HE2 GLN 25 -0.869 7.554 -9.516
171 H THR 26 H THR 26 -3.579 5.980 -7.249
172 HA THR 26 HA THR 26 -1.128 4.628 -7.139
173 HB THR 26 HB THR 26 -2.220 6.624 -5.145
174 HG1 THR 26 HG1 THR 26 -1.901 8.021 -6.691
175 HG21 THR 26 3HG2 THR 26 -0.339 6.157 -4.024
176 HG22 THR 26 1HG2 THR 26 0.518 6.949 -5.346
177 HG23 THR 26 2HG2 THR 26 0.310 5.198 -5.354
178 H LEU 27 H LEU 27 -3.690 4.859 -4.670
179 HA LEU 27 HA LEU 27 -2.576 3.314 -2.692
180 HB2 LEU 27 1HB LEU 27 -4.602 4.404 -2.224
181 HB3 LEU 27 2HB LEU 27 -5.421 3.644 -3.587
182 HG LEU 27 HG LEU 27 -5.377 1.495 -2.398
183 HD11 LEU 27 1HD1 LEU 27 -3.357 1.873 -1.073
184 HD12 LEU 27 2HD1 LEU 27 -4.719 1.396 -0.060
185 HD13 LEU 27 3HD1 LEU 27 -4.212 3.084 -0.116
186 HD21 LEU 27 3HD2 LEU 27 -6.911 3.792 -1.756
187 HD22 LEU 27 1HD2 LEU 27 -6.623 2.895 -0.265
188 HD23 LEU 27 2HD2 LEU 27 -7.375 2.094 -1.645
189 H LYS 28 H LYS 28 -4.589 2.171 -5.396
190 HA LYS 28 HA LYS 28 -4.738 -0.497 -4.884
191 HB2 LYS 28 1HB LYS 28 -4.540 1.088 -7.394
192 HB3 LYS 28 2HB LYS 28 -4.356 -0.656 -7.522
193 HG2 LYS 28 1HG LYS 28 -6.522 -1.058 -6.733
194 HG3 LYS 28 2HG LYS 28 -6.687 0.581 -6.097
195 HD2 LYS 28 1HD LYS 28 -6.931 1.504 -8.245
196 HD3 LYS 28 2HD LYS 28 -6.319 0.048 -9.032
197 HE2 LYS 28 1HE LYS 28 -8.355 -1.135 -8.062
198 HE3 LYS 28 2HE LYS 28 -8.977 0.472 -7.692
199 HZ1 LYS 28 3HZ LYS 28 -9.812 0.398 -9.743
200 HZ2 LYS 28 1HZ LYS 28 -8.830 -0.897 -10.214
201 HZ3 LYS 28 2HZ LYS 28 -8.235 0.684 -10.285
202 H SER 29 H SER 29 -1.940 1.278 -6.042
203 HA SER 29 HA SER 29 -0.378 -1.097 -6.514
204 HB2 SER 29 1HB SER 29 0.125 1.851 -6.661
205 HB3 SER 29 2HB SER 29 1.501 0.750 -6.598
206 HG SER 29 HG SER 29 -0.580 0.257 -8.415
207 H HIS 30 H HIS 30 -0.797 1.239 -3.939
208 HA HIS 30 HA HIS 30 1.463 0.680 -2.402
209 HB2 HIS 30 1HB HIS 30 0.337 2.513 -1.596
210 HB3 HIS 30 2HB HIS 30 -1.247 1.783 -1.839
211 HD1 HIS 30 HD1 HIS 30 1.720 1.468 0.511
212 HD2 HIS 30 HD2 HIS 30 -2.383 0.821 0.432
213 HE1 HIS 30 HE1 HIS 30 1.094 0.833 2.863
214 H LEU 31 H LEU 31 -1.346 -1.210 -2.998
215 HA LEU 31 HA LEU 31 -1.245 -2.829 -0.658
216 HB2 LEU 31 1HB LEU 31 -2.352 -3.804 -3.254
217 HB3 LEU 31 2HB LEU 31 -2.932 -4.091 -1.615
218 HG LEU 31 HG LEU 31 -3.336 -1.674 -3.351
219 HD11 LEU 31 1HD1 LEU 31 -5.712 -2.112 -2.529
220 HD12 LEU 31 2HD1 LEU 31 -5.103 -3.672 -1.977
221 HD13 LEU 31 3HD1 LEU 31 -5.029 -3.253 -3.688
222 HD21 LEU 31 3HD2 LEU 31 -2.679 -0.733 -1.269
223 HD22 LEU 31 1HD2 LEU 31 -3.645 -1.899 -0.364
224 HD23 LEU 31 2HD2 LEU 31 -4.440 -0.660 -1.336
225 H ARG 32 H ARG 32 0.784 -2.597 -3.309
226 HA ARG 32 HA ARG 32 1.477 -5.261 -3.827
227 HB2 ARG 32 1HB ARG 32 2.778 -2.616 -4.215
228 HB3 ARG 32 2HB ARG 32 3.806 -4.039 -4.312
229 HG2 ARG 32 1HG ARG 32 3.134 -3.590 -6.513
230 HG3 ARG 32 2HG ARG 32 2.147 -4.956 -5.989
231 HD2 ARG 32 1HD ARG 32 0.454 -3.099 -5.292
232 HD3 ARG 32 2HD ARG 32 1.368 -2.104 -6.425
233 HE ARG 32 HE ARG 32 0.456 -3.291 -8.164
234 HH11 ARG 32 1HH1 ARG 32 -0.159 -4.957 -5.170
235 HH12 ARG 32 2HH1 ARG 32 -1.254 -6.098 -5.878
236 HH21 ARG 32 1HH2 ARG 32 -0.983 -4.788 -9.109
237 HH22 ARG 32 2HH2 ARG 32 -1.721 -6.002 -8.119
238 H ILE 33 H ILE 33 2.854 -2.930 -1.526
239 HA ILE 33 HA ILE 33 4.829 -4.663 -0.492
240 HB ILE 33 HB ILE 33 5.153 -3.083 1.251
241 HG12 ILE 33 1HG1 ILE 33 2.514 -1.799 0.533
242 HG13 ILE 33 2HG1 ILE 33 2.707 -2.946 1.854
243 HG21 ILE 33 1HG2 ILE 33 6.049 -2.033 -0.553
244 HG22 ILE 33 2HG2 ILE 33 4.527 -2.023 -1.442
245 HG23 ILE 33 3HG2 ILE 33 4.803 -0.851 -0.154
246 HD11 ILE 33 3HD1 ILE 33 3.997 -0.242 1.597
247 HD12 ILE 33 1HD1 ILE 33 2.741 -0.727 2.737
248 HD13 ILE 33 2HD1 ILE 33 4.363 -1.407 2.869
249 H HIS 34 H HIS 34 1.443 -4.486 -0.008
250 HA HIS 34 HA HIS 34 1.434 -5.748 2.583
251 HB2 HIS 34 1HB HIS 34 -0.704 -5.015 0.597
252 HB3 HIS 34 2HB HIS 34 -1.072 -6.001 2.009
253 HD1 HIS 34 HD1 HIS 34 0.512 -4.561 4.168
254 HD2 HIS 34 HD2 HIS 34 -1.720 -2.593 1.268
255 HE1 HIS 34 HE1 HIS 34 -0.008 -2.300 5.139
256 H THR 35 H THR 35 0.375 -6.757 -0.671
257 HA THR 35 HA THR 35 0.429 -9.546 0.198
258 HB THR 35 HB THR 35 -1.553 -8.850 -1.030
259 HG1 THR 35 HG1 THR 35 -0.960 -10.359 -3.012
260 HG21 THR 35 3HG2 THR 35 0.377 -8.172 -3.252
261 HG22 THR 35 1HG2 THR 35 -0.635 -7.041 -2.353
262 HG23 THR 35 2HG2 THR 35 -1.377 -8.230 -3.424
263 H GLY 36 H GLY 36 1.974 -10.952 -0.375
264 HA2 GLY 36 1HA GLY 36 3.522 -11.871 -1.958
265 HA3 GLY 36 2HA GLY 36 3.753 -10.256 -2.613
266 H SER 37 H SER 37 4.585 -8.658 -0.827
267 HA SER 37 HA SER 37 7.114 -9.722 0.030
268 HB2 SER 37 1HB SER 37 5.954 -6.978 0.560
269 HB3 SER 37 2HB SER 37 7.650 -7.448 0.668
270 HG SER 37 HG SER 37 6.265 -7.820 -1.744
271 H GLY 38 H GLY 38 7.939 -9.238 2.268
272 HA2 GLY 38 1HA GLY 38 6.345 -10.570 4.176
273 HA3 GLY 38 2HA GLY 38 7.835 -9.701 4.514
274 HA PRO 39 HA PRO 39 3.866 -7.436 5.982
275 HB2 PRO 39 1HB PRO 39 3.736 -8.312 8.548
276 HB3 PRO 39 2HB PRO 39 2.882 -9.103 7.218
277 HG2 PRO 39 1HG PRO 39 5.473 -9.851 8.516
278 HG3 PRO 39 2HG PRO 39 4.127 -10.895 8.023
279 HD2 PRO 39 1HD PRO 39 6.379 -10.625 6.544
280 HD3 PRO 39 2HD PRO 39 4.786 -10.914 5.814
281 H SER 40 H SER 40 7.105 -7.690 6.560
282 HA SER 40 HA SER 40 8.671 -6.297 7.446
283 HB2 SER 40 1HB SER 40 6.348 -4.379 7.765
284 HB3 SER 40 2HB SER 40 8.058 -3.955 7.856
285 HG SER 40 HG SER 40 6.753 -3.757 5.749
286 H SER 41 H SER 41 7.669 -8.212 9.132
287 HA SER 41 HA SER 41 7.251 -8.772 11.321
288 HB2 SER 41 1HB SER 41 9.721 -8.026 11.121
289 HB3 SER 41 2HB SER 41 9.204 -6.581 11.991
290 HG SER 41 HG SER 41 9.407 -9.218 12.869
291 H GLY 42 H GLY 42 5.270 -7.062 10.458
292 HA2 GLY 42 1HA GLY 42 4.116 -6.181 12.826
293 HA3 GLY 42 2HA GLY 42 4.917 -4.787 12.116
Start of MODEL 4
1 H1 GLY 1 H GLY 1 8.810 4.921 6.680
2 HA2 GLY 1 1HA GLY 1 7.071 5.616 5.273
3 HA3 GLY 1 2HA GLY 1 6.140 6.081 6.689
4 H SER 2 H SER 2 5.702 7.977 5.271
5 HA SER 2 HA SER 2 7.906 9.913 5.237
6 HB2 SER 2 1HB SER 2 5.335 9.677 3.701
7 HB3 SER 2 2HB SER 2 6.162 11.230 3.817
8 HG SER 2 HG SER 2 7.526 8.893 3.017
9 H SER 3 H SER 3 7.912 11.669 6.503
10 HA SER 3 HA SER 3 6.217 11.880 8.718
11 HB2 SER 3 1HB SER 3 8.557 12.876 8.395
12 HB3 SER 3 2HB SER 3 7.751 14.207 7.565
13 HG SER 3 HG SER 3 7.280 14.981 9.448
14 H GLY 4 H GLY 4 5.049 14.049 9.220
15 HA2 GLY 4 1HA GLY 4 2.666 14.229 8.013
16 HA3 GLY 4 2HA GLY 4 3.465 15.656 8.656
17 H SER 5 H SER 5 1.657 15.477 6.397
18 HA SER 5 HA SER 5 3.265 16.935 4.494
19 HB2 SER 5 1HB SER 5 3.687 14.770 3.588
20 HB3 SER 5 2HB SER 5 2.002 14.286 3.779
21 HG SER 5 HG SER 5 3.100 16.133 1.940
22 H SER 6 H SER 6 2.066 18.314 3.216
23 HA SER 6 HA SER 6 -0.850 18.271 3.640
24 HB2 SER 6 1HB SER 6 -0.745 20.786 3.561
25 HB3 SER 6 2HB SER 6 0.018 20.068 4.979
26 HG SER 6 HG SER 6 2.006 20.192 3.552
27 H GLY 7 H GLY 7 -2.086 19.436 1.964
28 HA2 GLY 7 1HA GLY 7 -2.474 20.136 -0.223
29 HA3 GLY 7 2HA GLY 7 -0.766 19.912 -0.570
30 H GLY 8 H GLY 8 -3.858 18.259 -0.214
31 HA2 GLY 8 1HA GLY 8 -4.299 16.702 -2.134
32 HA3 GLY 8 2HA GLY 8 -2.730 16.005 -1.757
33 H GLU 9 H GLU 9 -6.044 16.378 -0.673
34 HA GLU 9 HA GLU 9 -5.826 14.856 1.696
35 HB2 GLU 9 1HB GLU 9 -8.081 15.731 -0.057
36 HB3 GLU 9 2HB GLU 9 -8.387 14.500 1.159
37 HG2 GLU 9 1HG GLU 9 -8.954 16.577 2.125
38 HG3 GLU 9 2HG GLU 9 -7.433 16.072 2.859
39 H LYS 10 H LYS 10 -6.391 12.705 2.124
40 HA LYS 10 HA LYS 10 -6.137 10.922 -0.201
41 HB2 LYS 10 1HB LYS 10 -5.566 10.406 2.723
42 HB3 LYS 10 2HB LYS 10 -5.408 9.212 1.442
43 HG2 LYS 10 1HG LYS 10 -3.566 10.285 0.502
44 HG3 LYS 10 2HG LYS 10 -3.905 11.800 1.341
45 HD2 LYS 10 1HD LYS 10 -2.988 11.073 3.310
46 HD3 LYS 10 2HD LYS 10 -3.351 9.377 2.978
47 HE2 LYS 10 1HE LYS 10 -1.089 9.352 2.672
48 HE3 LYS 10 2HE LYS 10 -1.603 9.752 1.034
49 HZ1 LYS 10 3HZ LYS 10 -1.166 11.995 2.836
50 HZ2 LYS 10 1HZ LYS 10 -0.797 11.837 1.193
51 HZ3 LYS 10 2HZ LYS 10 0.216 11.144 2.357
52 HA PRO 11 HA PRO 11 -10.522 10.462 1.285
53 HB2 PRO 11 1HB PRO 11 -11.624 10.542 -1.194
54 HB3 PRO 11 2HB PRO 11 -11.295 11.994 -0.242
55 HG2 PRO 11 1HG PRO 11 -9.695 10.783 -2.463
56 HG3 PRO 11 2HG PRO 11 -10.084 12.487 -2.165
57 HD2 PRO 11 1HD PRO 11 -7.687 11.405 -1.520
58 HD3 PRO 11 2HD PRO 11 -8.425 12.718 -0.581
59 H TYR 12 H TYR 12 -8.232 8.679 -0.255
60 HA TYR 12 HA TYR 12 -10.061 6.400 -0.645
61 HB2 TYR 12 1HB TYR 12 -7.459 7.006 -2.062
62 HB3 TYR 12 2HB TYR 12 -8.371 5.512 -2.246
63 HD1 TYR 12 HD1 TYR 12 -8.446 9.157 -2.857
64 HD2 TYR 12 HD2 TYR 12 -10.266 5.399 -3.675
65 HE1 TYR 12 HE1 TYR 12 -9.772 10.196 -4.649
66 HE2 TYR 12 HE2 TYR 12 -11.596 6.427 -5.471
67 HH TYR 12 HH TYR 12 -12.437 8.928 -5.934
68 HA PRO 13 HA PRO 13 -7.394 5.278 2.919
69 HB2 PRO 13 1HB PRO 13 -9.313 3.809 4.155
70 HB3 PRO 13 2HB PRO 13 -9.182 5.562 4.333
71 HG2 PRO 13 1HG PRO 13 -11.000 3.969 2.568
72 HG3 PRO 13 2HG PRO 13 -11.366 5.397 3.553
73 HD2 PRO 13 1HD PRO 13 -10.941 5.540 0.883
74 HD3 PRO 13 2HD PRO 13 -10.497 6.853 1.992
75 H CYS 14 H CYS 14 -6.362 3.342 3.355
76 HA CYS 14 HA CYS 14 -6.459 1.364 1.286
77 HB2 CYS 14 1HB CYS 14 -4.315 1.864 2.213
78 HB3 CYS 14 2HB CYS 14 -4.886 1.577 3.854
79 H GLU 15 H GLU 15 -6.646 -0.972 1.747
80 HA GLU 15 HA GLU 15 -8.894 -1.448 3.568
81 HB2 GLU 15 1HB GLU 15 -9.398 -2.134 1.347
82 HB3 GLU 15 2HB GLU 15 -7.852 -2.952 1.174
83 HG2 GLU 15 1HG GLU 15 -9.354 -4.687 1.468
84 HG3 GLU 15 2HG GLU 15 -8.663 -4.467 3.075
85 H ILE 16 H ILE 16 -5.667 -2.615 2.759
86 HA ILE 16 HA ILE 16 -5.630 -4.788 4.568
87 HB ILE 16 HB ILE 16 -3.290 -3.194 3.514
88 HG12 ILE 16 1HG1 ILE 16 -3.263 -5.455 2.069
89 HG13 ILE 16 2HG1 ILE 16 -4.995 -5.337 2.356
90 HG21 ILE 16 1HG2 ILE 16 -3.050 -4.781 5.560
91 HG22 ILE 16 2HG2 ILE 16 -3.177 -6.059 4.352
92 HG23 ILE 16 3HG2 ILE 16 -1.879 -4.870 4.244
93 HD11 ILE 16 3HD1 ILE 16 -5.110 -3.957 0.636
94 HD12 ILE 16 1HD1 ILE 16 -4.191 -2.781 1.576
95 HD13 ILE 16 2HD1 ILE 16 -3.352 -3.900 0.501
96 H CYS 17 H CYS 17 -3.635 -1.853 4.849
97 HA CYS 17 HA CYS 17 -3.675 -2.128 7.745
98 HB2 CYS 17 1HB CYS 17 -1.966 -0.345 7.709
99 HB3 CYS 17 2HB CYS 17 -1.527 -1.703 6.678
100 H GLY 18 H GLY 18 -4.465 0.339 5.304
101 HA2 GLY 18 1HA GLY 18 -6.734 1.380 5.830
102 HA3 GLY 18 2HA GLY 18 -5.997 1.775 7.376
103 H THR 19 H THR 19 -3.382 2.251 5.955
104 HA THR 19 HA THR 19 -3.298 4.952 5.862
105 HB THR 19 HB THR 19 -1.768 2.940 4.232
106 HG1 THR 19 HG1 THR 19 -1.561 3.654 6.666
107 HG21 THR 19 3HG2 THR 19 -1.597 5.939 4.119
108 HG22 THR 19 1HG2 THR 19 -1.676 4.788 2.785
109 HG23 THR 19 2HG2 THR 19 -0.207 4.917 3.753
110 H ARG 20 H ARG 20 -4.046 6.552 4.618
111 HA ARG 20 HA ARG 20 -5.603 5.845 2.254
112 HB2 ARG 20 1HB ARG 20 -5.353 8.580 3.496
113 HB3 ARG 20 2HB ARG 20 -6.628 7.980 2.443
114 HG2 ARG 20 1HG ARG 20 -7.692 6.875 4.124
115 HG3 ARG 20 2HG ARG 20 -6.205 6.595 5.031
116 HD2 ARG 20 1HD ARG 20 -6.239 8.693 5.991
117 HD3 ARG 20 2HD ARG 20 -7.224 9.381 4.700
118 HE ARG 20 HE ARG 20 -8.600 7.391 6.242
119 HH11 ARG 20 1HH1 ARG 20 -7.716 10.753 6.066
120 HH12 ARG 20 2HH1 ARG 20 -9.037 11.287 7.052
121 HH21 ARG 20 1HH2 ARG 20 -10.343 8.080 7.541
122 HH22 ARG 20 2HH2 ARG 20 -10.531 9.765 7.891
123 H PHE 21 H PHE 21 -5.429 7.160 0.299
124 HA PHE 21 HA PHE 21 -2.767 8.334 -0.107
125 HB2 PHE 21 1HB PHE 21 -4.122 6.250 -1.816
126 HB3 PHE 21 2HB PHE 21 -2.812 7.260 -2.419
127 HD1 PHE 21 HD2 PHE 21 -3.662 4.856 0.281
128 HD2 PHE 21 HD1 PHE 21 -0.602 6.639 -2.080
129 HE1 PHE 21 HE2 PHE 21 -2.022 3.282 1.223
130 HE2 PHE 21 HE1 PHE 21 1.042 5.067 -1.143
131 HZ PHE 21 HZ PHE 21 0.334 3.387 0.512
132 H ARG 22 H ARG 22 -2.663 10.040 -1.541
133 HA ARG 22 HA ARG 22 -4.763 11.769 -1.765
134 HB2 ARG 22 1HB ARG 22 -3.526 12.825 -3.649
135 HB3 ARG 22 2HB ARG 22 -2.515 12.483 -2.251
136 HG2 ARG 22 1HG ARG 22 -1.999 10.268 -3.548
137 HG3 ARG 22 2HG ARG 22 -2.523 11.215 -4.943
138 HD2 ARG 22 1HD ARG 22 -0.852 12.887 -4.500
139 HD3 ARG 22 2HD ARG 22 -0.402 12.095 -2.990
140 HE ARG 22 HE ARG 22 -0.107 10.360 -5.232
141 HH11 ARG 22 1HH1 ARG 22 1.393 12.987 -3.509
142 HH12 ARG 22 2HH1 ARG 22 2.998 12.576 -4.016
143 HH21 ARG 22 1HH2 ARG 22 2.001 9.809 -5.907
144 HH22 ARG 22 2HH2 ARG 22 3.343 10.768 -5.381
145 H HIS 23 H HIS 23 -3.672 9.539 -4.325
146 HA HIS 23 HA HIS 23 -6.333 9.800 -5.560
147 HB2 HIS 23 1HB HIS 23 -3.598 9.495 -6.699
148 HB3 HIS 23 2HB HIS 23 -4.931 8.733 -7.560
149 HD2 HIS 23 HD2 HIS 23 -5.366 12.257 -5.904
150 HE1 HIS 23 HE1 HIS 23 -5.477 12.695 -10.123
151 HE2 HIS 23 HE2 HIS 23 -5.689 13.866 -7.903
152 H LEU 24 H LEU 24 -7.085 7.828 -6.731
153 HA LEU 24 HA LEU 24 -6.939 5.567 -4.966
154 HB2 LEU 24 1HB LEU 24 -9.024 6.281 -6.088
155 HB3 LEU 24 2HB LEU 24 -8.312 5.831 -7.637
156 HG LEU 24 HG LEU 24 -9.939 4.180 -6.716
157 HD11 LEU 24 1HD1 LEU 24 -7.784 3.742 -8.192
158 HD12 LEU 24 2HD1 LEU 24 -8.819 2.428 -7.637
159 HD13 LEU 24 3HD1 LEU 24 -7.319 2.790 -6.782
160 HD21 LEU 24 3HD2 LEU 24 -8.567 4.587 -4.347
161 HD22 LEU 24 1HD2 LEU 24 -8.051 2.983 -4.870
162 HD23 LEU 24 2HD2 LEU 24 -9.768 3.333 -4.663
163 H GLN 25 H GLN 25 -6.389 5.876 -8.480
164 HA GLN 25 HA GLN 25 -5.360 3.519 -9.166
165 HB2 GLN 25 1HB GLN 25 -3.817 4.668 -10.723
166 HB3 GLN 25 2HB GLN 25 -5.433 5.361 -10.734
167 HG2 GLN 25 1HG GLN 25 -4.698 7.212 -9.380
168 HG3 GLN 25 2HG GLN 25 -3.098 6.492 -9.211
169 HE21 GLN 25 1HE2 GLN 25 -2.128 8.326 -10.099
170 HE22 GLN 25 2HE2 GLN 25 -2.195 8.664 -11.791
171 H THR 26 H THR 26 -3.675 5.910 -7.208
172 HA THR 26 HA THR 26 -1.192 4.515 -7.126
173 HB THR 26 HB THR 26 -2.265 6.596 -5.211
174 HG1 THR 26 HG1 THR 26 -1.993 7.155 -7.535
175 HG21 THR 26 3HG2 THR 26 0.582 6.593 -5.515
176 HG22 THR 26 1HG2 THR 26 0.044 4.978 -5.057
177 HG23 THR 26 2HG2 THR 26 -0.377 6.366 -4.052
178 H LEU 27 H LEU 27 -3.879 4.832 -4.814
179 HA LEU 27 HA LEU 27 -2.908 3.353 -2.718
180 HB2 LEU 27 1HB LEU 27 -4.983 4.454 -2.475
181 HB3 LEU 27 2HB LEU 27 -5.689 3.580 -3.832
182 HG LEU 27 HG LEU 27 -5.801 1.555 -2.539
183 HD11 LEU 27 1HD1 LEU 27 -4.456 3.114 -0.337
184 HD12 LEU 27 2HD1 LEU 27 -3.738 1.802 -1.271
185 HD13 LEU 27 3HD1 LEU 27 -5.100 1.478 -0.199
186 HD21 LEU 27 3HD2 LEU 27 -7.763 2.419 -1.928
187 HD22 LEU 27 1HD2 LEU 27 -7.074 4.027 -1.705
188 HD23 LEU 27 2HD2 LEU 27 -6.987 2.843 -0.401
189 H LYS 28 H LYS 28 -4.567 2.139 -5.612
190 HA LYS 28 HA LYS 28 -4.673 -0.556 -4.944
191 HB2 LYS 28 1HB LYS 28 -4.497 0.895 -7.567
192 HB3 LYS 28 2HB LYS 28 -4.498 -0.863 -7.518
193 HG2 LYS 28 1HG LYS 28 -6.664 -0.957 -6.654
194 HG3 LYS 28 2HG LYS 28 -6.636 0.737 -6.158
195 HD2 LYS 28 1HD LYS 28 -6.851 1.498 -8.375
196 HD3 LYS 28 2HD LYS 28 -6.438 -0.083 -9.044
197 HE2 LYS 28 1HE LYS 28 -8.885 0.344 -7.354
198 HE3 LYS 28 2HE LYS 28 -8.895 0.621 -9.095
199 HZ1 LYS 28 3HZ LYS 28 -8.971 -1.553 -9.492
200 HZ2 LYS 28 1HZ LYS 28 -9.342 -1.758 -7.854
201 HZ3 LYS 28 2HZ LYS 28 -7.742 -1.902 -8.384
202 H SER 29 H SER 29 -1.997 1.386 -6.035
203 HA SER 29 HA SER 29 -0.310 -0.901 -6.588
204 HB2 SER 29 1HB SER 29 0.358 2.051 -6.473
205 HB3 SER 29 2HB SER 29 1.432 0.779 -7.056
206 HG SER 29 HG SER 29 0.225 1.925 -8.713
207 H HIS 30 H HIS 30 -1.188 0.946 -3.879
208 HA HIS 30 HA HIS 30 1.253 0.647 -2.401
209 HB2 HIS 30 1HB HIS 30 0.061 2.459 -1.614
210 HB3 HIS 30 2HB HIS 30 -1.495 1.658 -1.814
211 HD1 HIS 30 HD1 HIS 30 1.572 1.220 0.408
212 HD2 HIS 30 HD2 HIS 30 -2.572 0.947 0.552
213 HE1 HIS 30 HE1 HIS 30 1.018 0.652 2.794
214 H LEU 31 H LEU 31 -1.554 -1.276 -2.969
215 HA LEU 31 HA LEU 31 -1.348 -2.925 -0.651
216 HB2 LEU 31 1HB LEU 31 -2.574 -3.920 -3.173
217 HB3 LEU 31 2HB LEU 31 -3.110 -4.121 -1.506
218 HG LEU 31 HG LEU 31 -3.496 -1.755 -3.319
219 HD11 LEU 31 1HD1 LEU 31 -5.867 -2.113 -2.558
220 HD12 LEU 31 2HD1 LEU 31 -5.323 -3.623 -1.828
221 HD13 LEU 31 3HD1 LEU 31 -5.192 -3.389 -3.571
222 HD21 LEU 31 3HD2 LEU 31 -2.874 -0.685 -1.340
223 HD22 LEU 31 1HD2 LEU 31 -3.645 -1.905 -0.327
224 HD23 LEU 31 2HD2 LEU 31 -4.634 -0.767 -1.242
225 H ARG 32 H ARG 32 0.702 -2.573 -3.183
226 HA ARG 32 HA ARG 32 1.331 -5.289 -3.786
227 HB2 ARG 32 1HB ARG 32 2.561 -2.632 -4.354
228 HB3 ARG 32 2HB ARG 32 3.560 -4.066 -4.543
229 HG2 ARG 32 1HG ARG 32 2.551 -3.428 -6.652
230 HG3 ARG 32 2HG ARG 32 1.938 -4.993 -6.115
231 HD2 ARG 32 1HD ARG 32 -0.127 -4.060 -5.442
232 HD3 ARG 32 2HD ARG 32 0.495 -2.415 -5.563
233 HE ARG 32 HE ARG 32 -0.642 -3.962 -7.657
234 HH11 ARG 32 1HH1 ARG 32 1.804 -1.577 -6.986
235 HH12 ARG 32 2HH1 ARG 32 1.781 -0.913 -8.586
236 HH21 ARG 32 1HH2 ARG 32 -0.682 -3.096 -9.767
237 HH22 ARG 32 2HH2 ARG 32 0.366 -1.777 -10.167
238 H ILE 33 H ILE 33 2.590 -2.891 -1.528
239 HA ILE 33 HA ILE 33 4.779 -4.497 -0.642
240 HB ILE 33 HB ILE 33 5.129 -2.855 1.062
241 HG12 ILE 33 1HG1 ILE 33 2.543 -1.489 0.360
242 HG13 ILE 33 2HG1 ILE 33 2.594 -2.754 1.583
243 HG21 ILE 33 1HG2 ILE 33 4.497 -1.997 -1.680
244 HG22 ILE 33 2HG2 ILE 33 4.621 -0.703 -0.489
245 HG23 ILE 33 3HG2 ILE 33 5.976 -1.803 -0.740
246 HD11 ILE 33 3HD1 ILE 33 4.674 -0.976 2.200
247 HD12 ILE 33 1HD1 ILE 33 3.265 0.010 1.809
248 HD13 ILE 33 2HD1 ILE 33 3.158 -1.221 3.068
249 H HIS 34 H HIS 34 1.440 -4.525 -0.016
250 HA HIS 34 HA HIS 34 1.607 -5.620 2.646
251 HB2 HIS 34 1HB HIS 34 -0.642 -5.165 0.701
252 HB3 HIS 34 2HB HIS 34 -0.890 -6.088 2.180
253 HD1 HIS 34 HD1 HIS 34 0.667 -4.401 4.183
254 HD2 HIS 34 HD2 HIS 34 -1.831 -2.795 1.278
255 HE1 HIS 34 HE1 HIS 34 0.007 -2.133 5.044
256 H THR 35 H THR 35 0.942 -6.850 -0.608
257 HA THR 35 HA THR 35 1.234 -9.587 0.447
258 HB THR 35 HB THR 35 -0.982 -9.261 -0.484
259 HG1 THR 35 HG1 THR 35 0.743 -10.784 -2.168
260 HG21 THR 35 3HG2 THR 35 -1.398 -8.547 -2.715
261 HG22 THR 35 1HG2 THR 35 0.315 -8.608 -3.126
262 HG23 THR 35 2HG2 THR 35 -0.282 -7.376 -2.014
263 H GLY 36 H GLY 36 2.866 -10.803 -0.291
264 HA2 GLY 36 1HA GLY 36 4.020 -10.371 -2.902
265 HA3 GLY 36 2HA GLY 36 5.070 -9.890 -1.577
266 H SER 37 H SER 37 5.646 -11.928 -3.466
267 HA SER 37 HA SER 37 5.200 -14.461 -2.125
268 HB2 SER 37 1HB SER 37 6.258 -15.474 -4.030
269 HB3 SER 37 2HB SER 37 5.182 -14.214 -4.633
270 HG SER 37 HG SER 37 7.217 -14.111 -5.644
271 H GLY 38 H GLY 38 6.373 -14.812 -0.344
272 HA2 GLY 38 1HA GLY 38 8.536 -15.645 0.411
273 HA3 GLY 38 2HA GLY 38 9.286 -14.364 -0.530
274 HA PRO 39 HA PRO 39 9.537 -12.011 3.174
275 HB2 PRO 39 1HB PRO 39 9.841 -9.541 2.090
276 HB3 PRO 39 2HB PRO 39 11.126 -10.755 2.090
277 HG2 PRO 39 1HG PRO 39 9.228 -10.006 -0.101
278 HG3 PRO 39 2HG PRO 39 10.969 -10.331 -0.191
279 HD2 PRO 39 1HD PRO 39 9.106 -12.164 -0.899
280 HD3 PRO 39 2HD PRO 39 10.670 -12.616 -0.191
281 H SER 40 H SER 40 8.100 -11.125 4.537
282 HA SER 40 HA SER 40 5.659 -9.939 3.388
283 HB2 SER 40 1HB SER 40 5.061 -12.007 4.443
284 HB3 SER 40 2HB SER 40 6.011 -11.617 5.877
285 HG SER 40 HG SER 40 4.540 -10.017 6.389
286 H SER 41 H SER 41 7.454 -9.999 6.472
287 HA SER 41 HA SER 41 6.543 -7.384 7.198
288 HB2 SER 41 1HB SER 41 7.997 -7.640 9.150
289 HB3 SER 41 2HB SER 41 7.060 -9.112 8.889
290 HG SER 41 HG SER 41 9.348 -9.429 9.321
291 H GLY 42 H GLY 42 7.317 -5.535 6.443
292 HA2 GLY 42 1HA GLY 42 10.196 -5.282 5.961
293 HA3 GLY 42 2HA GLY 42 9.109 -4.932 4.625
Start of MODEL 5
1 H1 GLY 1 H GLY 1 12.855 17.826 5.148
2 HA2 GLY 1 1HA GLY 1 13.210 15.546 4.243
3 HA3 GLY 1 2HA GLY 1 12.562 14.949 5.763
4 H SER 2 H SER 2 10.992 13.764 4.570
5 HA SER 2 HA SER 2 8.909 15.404 3.297
6 HB2 SER 2 1HB SER 2 9.839 13.642 1.867
7 HB3 SER 2 2HB SER 2 9.432 12.428 3.080
8 HG SER 2 HG SER 2 7.373 14.078 2.194
9 H SER 3 H SER 3 7.741 16.059 5.074
10 HA SER 3 HA SER 3 5.926 14.121 6.169
11 HB2 SER 3 1HB SER 3 8.077 15.346 7.881
12 HB3 SER 3 2HB SER 3 6.532 14.856 8.576
13 HG SER 3 HG SER 3 7.175 12.865 8.489
14 H GLY 4 H GLY 4 4.122 15.069 7.195
15 HA2 GLY 4 1HA GLY 4 3.409 17.340 8.190
16 HA3 GLY 4 2HA GLY 4 3.846 17.937 6.596
17 H SER 5 H SER 5 1.268 17.356 8.353
18 HA SER 5 HA SER 5 -0.286 16.026 6.248
19 HB2 SER 5 1HB SER 5 -0.337 15.368 8.785
20 HB3 SER 5 2HB SER 5 -1.418 16.754 8.930
21 HG SER 5 HG SER 5 -1.763 14.416 7.374
22 H SER 6 H SER 6 0.547 18.599 5.666
23 HA SER 6 HA SER 6 -1.963 20.129 5.884
24 HB2 SER 6 1HB SER 6 -0.600 22.186 5.715
25 HB3 SER 6 2HB SER 6 -0.172 21.231 7.134
26 HG SER 6 HG SER 6 1.337 21.900 4.957
27 H GLY 7 H GLY 7 -2.981 19.840 3.995
28 HA2 GLY 7 1HA GLY 7 -3.113 20.784 1.739
29 HA3 GLY 7 2HA GLY 7 -1.424 20.342 1.534
30 H GLY 8 H GLY 8 -3.791 19.626 -0.071
31 HA2 GLY 8 1HA GLY 8 -4.424 17.781 -1.293
32 HA3 GLY 8 2HA GLY 8 -3.148 16.883 -0.484
33 H GLU 9 H GLU 9 -5.083 15.303 -0.827
34 HA GLU 9 HA GLU 9 -6.201 14.842 1.769
35 HB2 GLU 9 1HB GLU 9 -8.584 14.679 0.712
36 HB3 GLU 9 2HB GLU 9 -7.976 16.234 1.263
37 HG2 GLU 9 1HG GLU 9 -7.283 16.726 -1.068
38 HG3 GLU 9 2HG GLU 9 -8.061 15.225 -1.569
39 H LYS 10 H LYS 10 -6.501 12.715 2.099
40 HA LYS 10 HA LYS 10 -6.229 10.946 -0.236
41 HB2 LYS 10 1HB LYS 10 -5.704 10.327 2.677
42 HB3 LYS 10 2HB LYS 10 -5.394 9.259 1.315
43 HG2 LYS 10 1HG LYS 10 -3.557 10.456 0.617
44 HG3 LYS 10 2HG LYS 10 -4.096 11.943 1.402
45 HD2 LYS 10 1HD LYS 10 -3.481 9.592 3.118
46 HD3 LYS 10 2HD LYS 10 -2.131 10.472 2.397
47 HE2 LYS 10 1HE LYS 10 -2.356 11.657 4.331
48 HE3 LYS 10 2HE LYS 10 -3.480 12.557 3.313
49 HZ1 LYS 10 3HZ LYS 10 -5.145 12.015 4.648
50 HZ2 LYS 10 1HZ LYS 10 -4.033 11.320 5.716
51 HZ3 LYS 10 2HZ LYS 10 -4.787 10.365 4.542
52 HA PRO 11 HA PRO 11 -10.604 10.418 1.246
53 HB2 PRO 11 1HB PRO 11 -11.700 10.460 -1.237
54 HB3 PRO 11 2HB PRO 11 -11.396 11.925 -0.296
55 HG2 PRO 11 1HG PRO 11 -9.771 10.720 -2.503
56 HG3 PRO 11 2HG PRO 11 -10.187 12.420 -2.220
57 HD2 PRO 11 1HD PRO 11 -7.776 11.380 -1.560
58 HD3 PRO 11 2HD PRO 11 -8.536 12.690 -0.634
59 H TYR 12 H TYR 12 -8.281 8.656 -0.267
60 HA TYR 12 HA TYR 12 -10.075 6.348 -0.650
61 HB2 TYR 12 1HB TYR 12 -7.475 6.989 -2.055
62 HB3 TYR 12 2HB TYR 12 -8.347 5.470 -2.224
63 HD1 TYR 12 HD1 TYR 12 -8.517 9.104 -2.881
64 HD2 TYR 12 HD2 TYR 12 -10.223 5.287 -3.669
65 HE1 TYR 12 HE1 TYR 12 -9.856 10.084 -4.696
66 HE2 TYR 12 HE2 TYR 12 -11.565 6.256 -5.488
67 HH TYR 12 HH TYR 12 -11.175 9.626 -6.466
68 HA PRO 13 HA PRO 13 -7.404 5.311 2.944
69 HB2 PRO 13 1HB PRO 13 -9.321 3.871 4.215
70 HB3 PRO 13 2HB PRO 13 -9.187 5.627 4.357
71 HG2 PRO 13 1HG PRO 13 -11.013 4.000 2.630
72 HG3 PRO 13 2HG PRO 13 -11.374 5.449 3.588
73 HD2 PRO 13 1HD PRO 13 -10.957 5.536 0.914
74 HD3 PRO 13 2HD PRO 13 -10.508 6.871 1.994
75 H CYS 14 H CYS 14 -6.237 3.474 3.219
76 HA CYS 14 HA CYS 14 -6.374 1.438 1.255
77 HB2 CYS 14 1HB CYS 14 -4.240 1.944 2.195
78 HB3 CYS 14 2HB CYS 14 -4.825 1.679 3.835
79 H GLU 15 H GLU 15 -6.560 -0.895 1.728
80 HA GLU 15 HA GLU 15 -8.815 -1.366 3.545
81 HB2 GLU 15 1HB GLU 15 -9.451 -2.122 1.444
82 HB3 GLU 15 2HB GLU 15 -7.839 -2.705 1.053
83 HG2 GLU 15 1HG GLU 15 -8.125 -4.679 2.185
84 HG3 GLU 15 2HG GLU 15 -9.353 -4.011 3.258
85 H ILE 16 H ILE 16 -5.591 -2.533 2.726
86 HA ILE 16 HA ILE 16 -5.553 -4.720 4.517
87 HB ILE 16 HB ILE 16 -3.212 -3.114 3.487
88 HG12 ILE 16 1HG1 ILE 16 -3.172 -5.338 2.001
89 HG13 ILE 16 2HG1 ILE 16 -4.904 -5.256 2.301
90 HG21 ILE 16 1HG2 ILE 16 -2.066 -5.387 3.842
91 HG22 ILE 16 2HG2 ILE 16 -2.382 -4.381 5.255
92 HG23 ILE 16 3HG2 ILE 16 -3.434 -5.749 4.895
93 HD11 ILE 16 3HD1 ILE 16 -5.095 -3.790 0.665
94 HD12 ILE 16 1HD1 ILE 16 -4.058 -2.671 1.549
95 HD13 ILE 16 2HD1 ILE 16 -3.350 -3.820 0.412
96 H CYS 17 H CYS 17 -3.577 -1.774 4.826
97 HA CYS 17 HA CYS 17 -3.616 -2.080 7.720
98 HB2 CYS 17 1HB CYS 17 -1.928 -0.256 7.687
99 HB3 CYS 17 2HB CYS 17 -1.463 -1.639 6.701
100 H GLY 18 H GLY 18 -4.399 0.416 5.306
101 HA2 GLY 18 1HA GLY 18 -6.680 1.438 5.844
102 HA3 GLY 18 2HA GLY 18 -5.937 1.829 7.388
103 H THR 19 H THR 19 -3.339 2.275 5.848
104 HA THR 19 HA THR 19 -3.235 4.987 5.810
105 HB THR 19 HB THR 19 -1.789 3.052 4.000
106 HG1 THR 19 HG1 THR 19 -0.487 2.898 5.661
107 HG21 THR 19 3HG2 THR 19 -0.148 5.062 3.851
108 HG22 THR 19 1HG2 THR 19 -1.570 6.031 4.234
109 HG23 THR 19 2HG2 THR 19 -1.554 5.020 2.789
110 H ARG 20 H ARG 20 -3.990 6.611 4.598
111 HA ARG 20 HA ARG 20 -5.625 5.942 2.274
112 HB2 ARG 20 1HB ARG 20 -5.320 8.621 3.637
113 HB3 ARG 20 2HB ARG 20 -6.568 8.148 2.491
114 HG2 ARG 20 1HG ARG 20 -7.746 6.970 4.042
115 HG3 ARG 20 2HG ARG 20 -6.311 6.564 4.985
116 HD2 ARG 20 1HD ARG 20 -6.311 8.580 6.103
117 HD3 ARG 20 2HD ARG 20 -7.197 9.408 4.822
118 HE ARG 20 HE ARG 20 -9.036 7.692 5.717
119 HH11 ARG 20 1HH1 ARG 20 -6.884 9.839 7.413
120 HH12 ARG 20 2HH1 ARG 20 -7.965 10.081 8.746
121 HH21 ARG 20 1HH2 ARG 20 -10.468 8.002 7.466
122 HH22 ARG 20 2HH2 ARG 20 -10.003 9.035 8.775
123 H PHE 21 H PHE 21 -5.408 7.021 0.269
124 HA PHE 21 HA PHE 21 -2.799 8.310 -0.171
125 HB2 PHE 21 1HB PHE 21 -4.137 6.175 -1.832
126 HB3 PHE 21 2HB PHE 21 -2.840 7.189 -2.457
127 HD1 PHE 21 HD2 PHE 21 -3.654 4.823 0.288
128 HD2 PHE 21 HD1 PHE 21 -0.623 6.600 -2.115
129 HE1 PHE 21 HE2 PHE 21 -1.994 3.284 1.251
130 HE2 PHE 21 HE1 PHE 21 1.043 5.063 -1.156
131 HZ PHE 21 HZ PHE 21 0.358 3.403 0.530
132 H ARG 22 H ARG 22 -2.786 10.091 -1.450
133 HA ARG 22 HA ARG 22 -4.897 11.739 -1.741
134 HB2 ARG 22 1HB ARG 22 -2.411 12.091 -2.374
135 HB3 ARG 22 2HB ARG 22 -2.898 11.557 -3.977
136 HG2 ARG 22 1HG ARG 22 -4.571 13.375 -4.033
137 HG3 ARG 22 2HG ARG 22 -3.964 13.937 -2.474
138 HD2 ARG 22 1HD ARG 22 -2.977 15.229 -4.272
139 HD3 ARG 22 2HD ARG 22 -1.742 14.255 -3.474
140 HE ARG 22 HE ARG 22 -2.539 12.705 -5.554
141 HH11 ARG 22 1HH1 ARG 22 -1.402 15.984 -5.274
142 HH12 ARG 22 2HH1 ARG 22 -0.674 16.003 -6.846
143 HH21 ARG 22 1HH2 ARG 22 -1.584 12.719 -7.626
144 HH22 ARG 22 2HH2 ARG 22 -0.779 14.146 -8.183
145 H HIS 23 H HIS 23 -3.836 9.435 -4.242
146 HA HIS 23 HA HIS 23 -6.548 9.582 -5.387
147 HB2 HIS 23 1HB HIS 23 -3.864 9.509 -6.708
148 HB3 HIS 23 2HB HIS 23 -5.240 8.775 -7.527
149 HD2 HIS 23 HD2 HIS 23 -4.972 12.299 -5.721
150 HE1 HIS 23 HE1 HIS 23 -6.559 12.791 -9.625
151 HE2 HIS 23 HE2 HIS 23 -5.835 13.954 -7.512
152 H LEU 24 H LEU 24 -7.297 7.617 -6.451
153 HA LEU 24 HA LEU 24 -6.803 5.313 -4.846
154 HB2 LEU 24 1HB LEU 24 -8.992 5.927 -5.896
155 HB3 LEU 24 2HB LEU 24 -8.309 5.458 -7.451
156 HG LEU 24 HG LEU 24 -8.272 3.187 -6.879
157 HD11 LEU 24 1HD1 LEU 24 -9.072 2.658 -4.396
158 HD12 LEU 24 2HD1 LEU 24 -8.285 4.208 -4.100
159 HD13 LEU 24 3HD1 LEU 24 -7.374 2.880 -4.819
160 HD21 LEU 24 3HD2 LEU 24 -10.749 4.456 -5.724
161 HD22 LEU 24 1HD2 LEU 24 -10.578 2.729 -6.042
162 HD23 LEU 24 2HD2 LEU 24 -10.505 3.883 -7.374
163 H GLN 25 H GLN 25 -6.334 5.929 -8.330
164 HA GLN 25 HA GLN 25 -5.193 3.665 -9.204
165 HB2 GLN 25 1HB GLN 25 -3.740 5.048 -10.689
166 HB3 GLN 25 2HB GLN 25 -5.426 5.548 -10.676
167 HG2 GLN 25 1HG GLN 25 -4.983 7.499 -9.547
168 HG3 GLN 25 2HG GLN 25 -3.496 6.875 -8.835
169 HE21 GLN 25 1HE2 GLN 25 -1.928 8.161 -9.511
170 HE22 GLN 25 2HE2 GLN 25 -1.631 8.616 -11.151
171 H THR 26 H THR 26 -3.772 5.885 -6.932
172 HA THR 26 HA THR 26 -1.156 4.656 -7.047
173 HB THR 26 HB THR 26 -2.221 6.654 -5.042
174 HG1 THR 26 HG1 THR 26 -0.607 7.151 -7.335
175 HG21 THR 26 3HG2 THR 26 -0.209 6.622 -4.069
176 HG22 THR 26 1HG2 THR 26 0.623 6.695 -5.622
177 HG23 THR 26 2HG2 THR 26 0.103 5.140 -4.973
178 H LEU 27 H LEU 27 -3.882 4.765 -4.780
179 HA LEU 27 HA LEU 27 -2.789 3.307 -2.691
180 HB2 LEU 27 1HB LEU 27 -4.888 4.393 -2.412
181 HB3 LEU 27 2HB LEU 27 -5.612 3.460 -3.720
182 HG LEU 27 HG LEU 27 -5.616 1.470 -2.376
183 HD11 LEU 27 1HD1 LEU 27 -3.438 2.078 -1.214
184 HD12 LEU 27 2HD1 LEU 27 -4.669 1.279 -0.237
185 HD13 LEU 27 3HD1 LEU 27 -4.425 3.020 -0.096
186 HD21 LEU 27 3HD2 LEU 27 -7.505 2.109 -1.398
187 HD22 LEU 27 1HD2 LEU 27 -7.092 3.774 -1.807
188 HD23 LEU 27 2HD2 LEU 27 -6.630 3.111 -0.239
189 H LYS 28 H LYS 28 -4.561 2.116 -5.532
190 HA LYS 28 HA LYS 28 -4.603 -0.585 -4.938
191 HB2 LYS 28 1HB LYS 28 -4.341 0.813 -7.602
192 HB3 LYS 28 2HB LYS 28 -4.610 -0.918 -7.443
193 HG2 LYS 28 1HG LYS 28 -6.753 -0.626 -6.570
194 HG3 LYS 28 2HG LYS 28 -6.457 1.067 -6.168
195 HD2 LYS 28 1HD LYS 28 -6.672 1.758 -8.376
196 HD3 LYS 28 2HD LYS 28 -6.354 0.144 -9.015
197 HE2 LYS 28 1HE LYS 28 -8.780 0.665 -7.341
198 HE3 LYS 28 2HE LYS 28 -8.774 1.080 -9.055
199 HZ1 LYS 28 3HZ LYS 28 -7.754 -1.507 -8.787
200 HZ2 LYS 28 1HZ LYS 28 -9.202 -1.026 -9.519
201 HZ3 LYS 28 2HZ LYS 28 -9.178 -1.429 -7.877
202 H SER 29 H SER 29 -1.959 1.401 -6.031
203 HA SER 29 HA SER 29 -0.262 -0.865 -6.646
204 HB2 SER 29 1HB SER 29 0.454 2.072 -6.464
205 HB3 SER 29 2HB SER 29 1.436 0.797 -7.186
206 HG SER 29 HG SER 29 0.373 1.133 -8.953
207 H HIS 30 H HIS 30 -1.092 0.974 -3.906
208 HA HIS 30 HA HIS 30 1.373 0.632 -2.473
209 HB2 HIS 30 1HB HIS 30 0.260 2.456 -1.632
210 HB3 HIS 30 2HB HIS 30 -1.328 1.730 -1.865
211 HD1 HIS 30 HD1 HIS 30 1.680 1.260 0.420
212 HD2 HIS 30 HD2 HIS 30 -2.457 0.880 0.441
213 HE1 HIS 30 HE1 HIS 30 1.074 0.638 2.780
214 H LEU 31 H LEU 31 -1.485 -1.230 -2.988
215 HA LEU 31 HA LEU 31 -1.297 -2.878 -0.675
216 HB2 LEU 31 1HB LEU 31 -2.524 -3.845 -3.214
217 HB3 LEU 31 2HB LEU 31 -3.055 -4.083 -1.550
218 HG LEU 31 HG LEU 31 -3.455 -1.690 -3.321
219 HD11 LEU 31 1HD1 LEU 31 -5.102 -3.490 -3.444
220 HD12 LEU 31 2HD1 LEU 31 -5.793 -2.034 -2.730
221 HD13 LEU 31 3HD1 LEU 31 -5.344 -3.393 -1.700
222 HD21 LEU 31 3HD2 LEU 31 -4.545 -0.708 -1.219
223 HD22 LEU 31 1HD2 LEU 31 -2.787 -0.640 -1.345
224 HD23 LEU 31 2HD2 LEU 31 -3.551 -1.861 -0.327
225 H ARG 32 H ARG 32 0.741 -2.578 -3.243
226 HA ARG 32 HA ARG 32 1.349 -5.295 -3.822
227 HB2 ARG 32 1HB ARG 32 2.597 -2.653 -4.386
228 HB3 ARG 32 2HB ARG 32 3.616 -4.079 -4.527
229 HG2 ARG 32 1HG ARG 32 2.624 -3.437 -6.667
230 HG3 ARG 32 2HG ARG 32 2.100 -5.041 -6.151
231 HD2 ARG 32 1HD ARG 32 -0.011 -4.152 -5.392
232 HD3 ARG 32 2HD ARG 32 0.516 -2.507 -5.746
233 HE ARG 32 HE ARG 32 -0.556 -4.398 -7.592
234 HH11 ARG 32 1HH1 ARG 32 1.657 -1.728 -7.281
235 HH12 ARG 32 2HH1 ARG 32 1.529 -1.259 -8.944
236 HH21 ARG 32 1HH2 ARG 32 -0.732 -3.791 -9.784
237 HH22 ARG 32 2HH2 ARG 32 0.170 -2.433 -10.367
238 H ILE 33 H ILE 33 2.458 -2.995 -1.428
239 HA ILE 33 HA ILE 33 4.660 -4.634 -0.553
240 HB ILE 33 HB ILE 33 5.107 -2.984 1.067
241 HG12 ILE 33 1HG1 ILE 33 2.336 -1.859 0.611
242 HG13 ILE 33 2HG1 ILE 33 2.786 -2.881 1.971
243 HG21 ILE 33 1HG2 ILE 33 5.800 -1.692 -0.604
244 HG22 ILE 33 2HG2 ILE 33 4.450 -2.188 -1.624
245 HG23 ILE 33 3HG2 ILE 33 4.258 -0.842 -0.501
246 HD11 ILE 33 3HD1 ILE 33 2.866 -0.728 2.827
247 HD12 ILE 33 1HD1 ILE 33 4.553 -1.097 2.470
248 HD13 ILE 33 2HD1 ILE 33 3.623 -0.074 1.374
249 H HIS 34 H HIS 34 1.335 -4.696 -0.082
250 HA HIS 34 HA HIS 34 1.423 -5.758 2.617
251 HB2 HIS 34 1HB HIS 34 -0.792 -5.191 0.660
252 HB3 HIS 34 2HB HIS 34 -1.087 -6.114 2.130
253 HD1 HIS 34 HD1 HIS 34 0.502 -4.518 4.169
254 HD2 HIS 34 HD2 HIS 34 -1.862 -2.768 1.235
255 HE1 HIS 34 HE1 HIS 34 -0.065 -2.228 5.040
256 H THR 35 H THR 35 0.908 -6.909 -0.674
257 HA THR 35 HA THR 35 0.938 -9.674 0.350
258 HB THR 35 HB THR 35 -1.140 -9.397 -0.732
259 HG1 THR 35 HG1 THR 35 -0.893 -10.757 -2.575
260 HG21 THR 35 3HG2 THR 35 -1.358 -8.451 -3.006
261 HG22 THR 35 1HG2 THR 35 0.361 -8.063 -2.988
262 HG23 THR 35 2HG2 THR 35 -0.731 -7.280 -1.846
263 H GLY 36 H GLY 36 2.762 -10.738 -0.026
264 HA2 GLY 36 1HA GLY 36 4.044 -10.627 -2.608
265 HA3 GLY 36 2HA GLY 36 4.989 -9.887 -1.324
266 H SER 37 H SER 37 4.835 -11.429 0.778
267 HA SER 37 HA SER 37 6.506 -13.571 0.289
268 HB2 SER 37 1HB SER 37 4.581 -13.153 2.586
269 HB3 SER 37 2HB SER 37 5.853 -14.374 2.568
270 HG SER 37 HG SER 37 6.028 -11.625 2.875
271 H GLY 38 H GLY 38 2.987 -13.668 0.856
272 HA2 GLY 38 1HA GLY 38 2.850 -16.080 -0.799
273 HA3 GLY 38 2HA GLY 38 2.257 -16.194 0.852
274 HA PRO 39 HA PRO 39 -0.878 -14.278 -2.256
275 HB2 PRO 39 1HB PRO 39 -2.169 -16.505 -3.118
276 HB3 PRO 39 2HB PRO 39 -0.785 -15.808 -3.968
277 HG2 PRO 39 1HG PRO 39 -0.875 -18.126 -2.077
278 HG3 PRO 39 2HG PRO 39 0.005 -17.965 -3.608
279 HD2 PRO 39 1HD PRO 39 1.202 -17.648 -1.200
280 HD3 PRO 39 2HD PRO 39 1.711 -16.751 -2.644
281 H SER 40 H SER 40 -0.889 -16.701 0.221
282 HA SER 40 HA SER 40 -3.717 -16.303 0.810
283 HB2 SER 40 1HB SER 40 -2.595 -18.582 0.898
284 HB3 SER 40 2HB SER 40 -1.761 -18.018 2.346
285 HG SER 40 HG SER 40 -4.062 -19.136 2.314
286 H SER 41 H SER 41 -4.501 -15.322 2.638
287 HA SER 41 HA SER 41 -2.618 -13.568 4.021
288 HB2 SER 41 1HB SER 41 -4.484 -12.228 4.622
289 HB3 SER 41 2HB SER 41 -4.783 -12.727 2.957
290 HG SER 41 HG SER 41 -6.225 -13.240 5.194
291 H GLY 42 H GLY 42 -2.400 -16.241 4.742
292 HA2 GLY 42 1HA GLY 42 -2.779 -16.051 7.572
293 HA3 GLY 42 2HA GLY 42 -3.889 -17.200 6.842
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -6.054 27.887 8.452
2 HA2 GLY 1 1HA GLY 1 -8.023 27.502 9.610
3 HA3 GLY 1 2HA GLY 1 -8.127 29.254 9.509
4 H SER 2 H SER 2 -9.143 26.228 8.054
5 HA SER 2 HA SER 2 -11.212 27.690 6.553
6 HB2 SER 2 1HB SER 2 -9.811 25.080 6.047
7 HB3 SER 2 2HB SER 2 -11.387 25.403 5.325
8 HG SER 2 HG SER 2 -10.139 27.528 4.768
9 H SER 3 H SER 3 -13.260 26.335 6.237
10 HA SER 3 HA SER 3 -14.502 25.961 8.703
11 HB2 SER 3 1HB SER 3 -15.200 25.297 5.879
12 HB3 SER 3 2HB SER 3 -16.167 24.572 7.163
13 HG SER 3 HG SER 3 -16.070 26.983 7.913
14 H GLY 4 H GLY 4 -13.113 23.584 6.468
15 HA2 GLY 4 1HA GLY 4 -13.811 21.360 8.171
16 HA3 GLY 4 2HA GLY 4 -12.852 21.290 6.700
17 H SER 5 H SER 5 -12.702 20.657 9.860
18 HA SER 5 HA SER 5 -10.217 21.825 10.615
19 HB2 SER 5 1HB SER 5 -11.559 19.362 11.757
20 HB3 SER 5 2HB SER 5 -10.312 20.335 12.537
21 HG SER 5 HG SER 5 -12.868 20.667 12.759
22 H SER 6 H SER 6 -11.070 18.450 9.824
23 HA SER 6 HA SER 6 -8.485 18.135 8.508
24 HB2 SER 6 1HB SER 6 -8.044 17.427 10.804
25 HB3 SER 6 2HB SER 6 -9.429 16.337 10.755
26 HG SER 6 HG SER 6 -6.913 15.917 9.904
27 H GLY 7 H GLY 7 -8.384 16.344 7.066
28 HA2 GLY 7 1HA GLY 7 -9.545 14.319 6.227
29 HA3 GLY 7 2HA GLY 7 -11.040 15.227 6.402
30 H GLY 8 H GLY 8 -11.165 14.452 4.083
31 HA2 GLY 8 1HA GLY 8 -11.453 15.351 1.946
32 HA3 GLY 8 2HA GLY 8 -10.374 16.669 2.382
33 H GLU 9 H GLU 9 -8.027 15.941 2.731
34 HA GLU 9 HA GLU 9 -7.057 14.905 0.313
35 HB2 GLU 9 1HB GLU 9 -5.851 16.410 1.979
36 HB3 GLU 9 2HB GLU 9 -5.509 14.951 2.898
37 HG2 GLU 9 1HG GLU 9 -4.221 14.038 1.115
38 HG3 GLU 9 2HG GLU 9 -4.721 15.328 0.022
39 H LYS 10 H LYS 10 -6.373 12.920 -0.323
40 HA LYS 10 HA LYS 10 -6.206 10.653 -0.392
41 HB2 LYS 10 1HB LYS 10 -5.704 10.987 2.571
42 HB3 LYS 10 2HB LYS 10 -5.422 9.507 1.663
43 HG2 LYS 10 1HG LYS 10 -3.577 10.352 0.589
44 HG3 LYS 10 2HG LYS 10 -4.102 12.027 0.778
45 HD2 LYS 10 1HD LYS 10 -3.275 12.190 2.903
46 HD3 LYS 10 2HD LYS 10 -3.501 10.471 3.239
47 HE2 LYS 10 1HE LYS 10 -1.224 10.541 3.071
48 HE3 LYS 10 2HE LYS 10 -1.639 10.220 1.388
49 HZ1 LYS 10 3HZ LYS 10 -1.172 12.940 2.477
50 HZ2 LYS 10 1HZ LYS 10 -1.351 12.505 0.852
51 HZ3 LYS 10 2HZ LYS 10 0.021 12.017 1.712
52 HA PRO 11 HA PRO 11 -10.568 10.418 1.406
53 HB2 PRO 11 1HB PRO 11 -11.891 10.448 -0.964
54 HB3 PRO 11 2HB PRO 11 -11.494 11.918 -0.067
55 HG2 PRO 11 1HG PRO 11 -10.088 10.689 -2.406
56 HG3 PRO 11 2HG PRO 11 -10.468 12.393 -2.099
57 HD2 PRO 11 1HD PRO 11 -8.010 11.346 -1.659
58 HD3 PRO 11 2HD PRO 11 -8.675 12.666 -0.675
59 H TYR 12 H TYR 12 -8.406 8.635 -0.311
60 HA TYR 12 HA TYR 12 -10.240 6.338 -0.529
61 HB2 TYR 12 1HB TYR 12 -7.731 6.929 -2.112
62 HB3 TYR 12 2HB TYR 12 -8.653 5.433 -2.220
63 HD1 TYR 12 HD1 TYR 12 -8.804 9.082 -2.833
64 HD2 TYR 12 HD2 TYR 12 -10.593 5.292 -3.568
65 HE1 TYR 12 HE1 TYR 12 -10.236 10.099 -4.555
66 HE2 TYR 12 HE2 TYR 12 -12.029 6.298 -5.293
67 HH TYR 12 HH TYR 12 -11.576 9.583 -6.375
68 HA PRO 13 HA PRO 13 -7.368 5.265 2.882
69 HB2 PRO 13 1HB PRO 13 -9.197 3.773 4.223
70 HB3 PRO 13 2HB PRO 13 -9.084 5.529 4.387
71 HG2 PRO 13 1HG PRO 13 -10.966 3.898 2.726
72 HG3 PRO 13 2HG PRO 13 -11.303 5.325 3.723
73 HD2 PRO 13 1HD PRO 13 -11.021 5.461 1.034
74 HD3 PRO 13 2HD PRO 13 -10.541 6.786 2.112
75 H CYS 14 H CYS 14 -6.294 3.342 3.285
76 HA CYS 14 HA CYS 14 -6.431 1.365 1.225
77 HB2 CYS 14 1HB CYS 14 -4.278 1.919 2.148
78 HB3 CYS 14 2HB CYS 14 -4.819 1.524 3.776
79 H GLU 15 H GLU 15 -6.610 -0.969 1.661
80 HA GLU 15 HA GLU 15 -8.821 -1.471 3.515
81 HB2 GLU 15 1HB GLU 15 -9.322 -2.171 1.294
82 HB3 GLU 15 2HB GLU 15 -7.771 -2.982 1.127
83 HG2 GLU 15 1HG GLU 15 -9.208 -4.744 1.452
84 HG3 GLU 15 2HG GLU 15 -8.606 -4.455 3.083
85 H ILE 16 H ILE 16 -5.576 -2.577 2.706
86 HA ILE 16 HA ILE 16 -5.488 -4.759 4.496
87 HB ILE 16 HB ILE 16 -3.219 -3.077 3.426
88 HG12 ILE 16 1HG1 ILE 16 -3.045 -5.390 2.084
89 HG13 ILE 16 2HG1 ILE 16 -4.781 -5.380 2.376
90 HG21 ILE 16 1HG2 ILE 16 -3.287 -5.272 5.325
91 HG22 ILE 16 2HG2 ILE 16 -2.261 -5.614 3.933
92 HG23 ILE 16 3HG2 ILE 16 -1.970 -4.176 4.910
93 HD11 ILE 16 3HD1 ILE 16 -4.152 -2.811 1.476
94 HD12 ILE 16 1HD1 ILE 16 -3.249 -3.922 0.446
95 HD13 ILE 16 2HD1 ILE 16 -4.999 -4.086 0.599
96 H CYS 17 H CYS 17 -3.599 -1.761 4.833
97 HA CYS 17 HA CYS 17 -3.721 -2.061 7.734
98 HB2 CYS 17 1HB CYS 17 -1.964 -0.339 7.777
99 HB3 CYS 17 2HB CYS 17 -1.522 -1.687 6.734
100 H GLY 18 H GLY 18 -4.364 0.403 5.249
101 HA2 GLY 18 1HA GLY 18 -6.640 1.485 5.712
102 HA3 GLY 18 2HA GLY 18 -5.910 1.913 7.252
103 H THR 19 H THR 19 -3.273 2.339 5.930
104 HA THR 19 HA THR 19 -3.118 5.008 5.739
105 HB THR 19 HB THR 19 -1.674 3.010 3.994
106 HG1 THR 19 HG1 THR 19 -0.227 3.002 5.597
107 HG21 THR 19 3HG2 THR 19 -1.643 5.224 2.928
108 HG22 THR 19 1HG2 THR 19 -0.048 4.770 3.527
109 HG23 THR 19 2HG2 THR 19 -1.029 5.930 4.422
110 H ARG 20 H ARG 20 -4.092 6.542 4.602
111 HA ARG 20 HA ARG 20 -5.582 5.853 2.211
112 HB2 ARG 20 1HB ARG 20 -5.318 8.594 3.438
113 HB3 ARG 20 2HB ARG 20 -6.606 7.987 2.404
114 HG2 ARG 20 1HG ARG 20 -7.649 6.892 4.105
115 HG3 ARG 20 2HG ARG 20 -6.150 6.617 4.995
116 HD2 ARG 20 1HD ARG 20 -6.128 8.798 5.852
117 HD3 ARG 20 2HD ARG 20 -7.296 9.369 4.662
118 HE ARG 20 HE ARG 20 -8.514 7.388 6.218
119 HH11 ARG 20 1HH1 ARG 20 -7.275 10.626 6.535
120 HH12 ARG 20 2HH1 ARG 20 -8.366 11.059 7.809
121 HH21 ARG 20 1HH2 ARG 20 -9.956 7.946 7.895
122 HH22 ARG 20 2HH2 ARG 20 -9.890 9.533 8.582
123 H PHE 21 H PHE 21 -5.469 7.324 0.301
124 HA PHE 21 HA PHE 21 -2.808 8.462 -0.148
125 HB2 PHE 21 1HB PHE 21 -4.125 6.343 -1.847
126 HB3 PHE 21 2HB PHE 21 -2.821 7.365 -2.443
127 HD1 PHE 21 HD2 PHE 21 -3.641 5.056 0.360
128 HD2 PHE 21 HD1 PHE 21 -0.635 6.681 -2.178
129 HE1 PHE 21 HE2 PHE 21 -1.992 3.506 1.325
130 HE2 PHE 21 HE1 PHE 21 1.018 5.133 -1.217
131 HZ PHE 21 HZ PHE 21 0.341 3.543 0.538
132 H ARG 22 H ARG 22 -2.800 10.269 -1.381
133 HA ARG 22 HA ARG 22 -4.936 11.891 -1.687
134 HB2 ARG 22 1HB ARG 22 -3.712 13.038 -3.504
135 HB3 ARG 22 2HB ARG 22 -2.679 12.654 -2.133
136 HG2 ARG 22 1HG ARG 22 -1.651 10.862 -3.296
137 HG3 ARG 22 2HG ARG 22 -2.842 10.941 -4.596
138 HD2 ARG 22 1HD ARG 22 -1.968 12.952 -5.425
139 HD3 ARG 22 2HD ARG 22 -1.070 13.272 -3.942
140 HE ARG 22 HE ARG 22 0.049 10.987 -4.835
141 HH11 ARG 22 1HH1 ARG 22 -0.623 14.047 -6.354
142 HH12 ARG 22 2HH1 ARG 22 0.717 13.947 -7.446
143 HH21 ARG 22 1HH2 ARG 22 1.817 10.844 -6.268
144 HH22 ARG 22 2HH2 ARG 22 2.104 12.124 -7.397
145 H HIS 23 H HIS 23 -3.881 9.433 -4.005
146 HA HIS 23 HA HIS 23 -6.476 9.730 -5.371
147 HB2 HIS 23 1HB HIS 23 -3.722 9.485 -6.469
148 HB3 HIS 23 2HB HIS 23 -5.011 8.648 -7.329
149 HD2 HIS 23 HD2 HIS 23 -5.844 12.118 -5.791
150 HE1 HIS 23 HE1 HIS 23 -5.496 12.574 -9.995
151 HE2 HIS 23 HE2 HIS 23 -6.074 13.705 -7.820
152 H LEU 24 H LEU 24 -7.126 7.711 -6.566
153 HA LEU 24 HA LEU 24 -6.931 5.475 -4.750
154 HB2 LEU 24 1HB LEU 24 -9.051 6.179 -5.858
155 HB3 LEU 24 2HB LEU 24 -8.368 5.646 -7.393
156 HG LEU 24 HG LEU 24 -9.967 4.038 -6.386
157 HD11 LEU 24 1HD1 LEU 24 -7.486 2.504 -6.271
158 HD12 LEU 24 2HD1 LEU 24 -7.610 3.553 -7.683
159 HD13 LEU 24 3HD1 LEU 24 -8.865 2.357 -7.360
160 HD21 LEU 24 3HD2 LEU 24 -8.596 4.600 -4.036
161 HD22 LEU 24 1HD2 LEU 24 -8.117 2.954 -4.448
162 HD23 LEU 24 2HD2 LEU 24 -9.825 3.357 -4.273
163 H GLN 25 H GLN 25 -6.493 5.768 -8.282
164 HA GLN 25 HA GLN 25 -5.430 3.428 -8.977
165 HB2 GLN 25 1HB GLN 25 -3.979 4.588 -10.602
166 HB3 GLN 25 2HB GLN 25 -5.601 5.266 -10.552
167 HG2 GLN 25 1HG GLN 25 -4.851 7.150 -9.292
168 HG3 GLN 25 2HG GLN 25 -3.252 6.437 -9.087
169 HE21 GLN 25 1HE2 GLN 25 -4.212 8.976 -10.334
170 HE22 GLN 25 2HE2 GLN 25 -3.512 8.982 -11.913
171 H THR 26 H THR 26 -3.658 5.937 -7.224
172 HA THR 26 HA THR 26 -1.166 4.608 -7.177
173 HB THR 26 HB THR 26 -2.241 6.623 -5.194
174 HG1 THR 26 HG1 THR 26 -1.543 8.143 -6.576
175 HG21 THR 26 3HG2 THR 26 0.133 5.107 -5.162
176 HG22 THR 26 1HG2 THR 26 -0.285 6.479 -4.137
177 HG23 THR 26 2HG2 THR 26 0.588 6.740 -5.646
178 H LEU 27 H LEU 27 -3.714 4.867 -4.697
179 HA LEU 27 HA LEU 27 -2.616 3.379 -2.686
180 HB2 LEU 27 1HB LEU 27 -4.691 4.407 -2.290
181 HB3 LEU 27 2HB LEU 27 -5.449 3.586 -3.653
182 HG LEU 27 HG LEU 27 -5.344 1.465 -2.411
183 HD11 LEU 27 1HD1 LEU 27 -4.183 3.199 -0.242
184 HD12 LEU 27 2HD1 LEU 27 -3.440 1.801 -1.017
185 HD13 LEU 27 3HD1 LEU 27 -4.841 1.586 0.032
186 HD21 LEU 27 3HD2 LEU 27 -7.423 2.287 -2.075
187 HD22 LEU 27 1HD2 LEU 27 -6.833 3.841 -1.484
188 HD23 LEU 27 2HD2 LEU 27 -6.846 2.439 -0.414
189 H LYS 28 H LYS 28 -4.414 2.142 -5.487
190 HA LYS 28 HA LYS 28 -4.483 -0.543 -4.881
191 HB2 LYS 28 1HB LYS 28 -4.311 0.970 -7.457
192 HB3 LYS 28 2HB LYS 28 -4.190 -0.785 -7.485
193 HG2 LYS 28 1HG LYS 28 -6.362 -1.080 -6.766
194 HG3 LYS 28 2HG LYS 28 -6.451 0.528 -6.044
195 HD2 LYS 28 1HD LYS 28 -6.661 1.569 -8.156
196 HD3 LYS 28 2HD LYS 28 -6.185 0.100 -9.010
197 HE2 LYS 28 1HE LYS 28 -8.688 0.360 -7.351
198 HE3 LYS 28 2HE LYS 28 -8.630 0.608 -9.096
199 HZ1 LYS 28 3HZ LYS 28 -7.812 -1.677 -9.325
200 HZ2 LYS 28 1HZ LYS 28 -9.341 -1.622 -8.601
201 HZ3 LYS 28 2HZ LYS 28 -7.967 -1.903 -7.656
202 H SER 29 H SER 29 -1.793 1.370 -6.064
203 HA SER 29 HA SER 29 -0.106 -0.912 -6.548
204 HB2 SER 29 1HB SER 29 0.290 2.064 -6.617
205 HB3 SER 29 2HB SER 29 1.681 0.982 -6.671
206 HG SER 29 HG SER 29 1.259 0.811 -8.713
207 H HIS 30 H HIS 30 -0.899 1.082 -3.865
208 HA HIS 30 HA HIS 30 1.486 0.655 -2.354
209 HB2 HIS 30 1HB HIS 30 0.381 2.507 -1.562
210 HB3 HIS 30 2HB HIS 30 -1.212 1.803 -1.823
211 HD1 HIS 30 HD1 HIS 30 1.725 1.422 0.558
212 HD2 HIS 30 HD2 HIS 30 -2.394 0.886 0.441
213 HE1 HIS 30 HE1 HIS 30 1.059 0.808 2.905
214 H LEU 31 H LEU 31 -1.353 -1.188 -2.965
215 HA LEU 31 HA LEU 31 -1.264 -2.811 -0.620
216 HB2 LEU 31 1HB LEU 31 -2.449 -3.755 -3.191
217 HB3 LEU 31 2HB LEU 31 -3.010 -4.010 -1.540
218 HG LEU 31 HG LEU 31 -3.358 -1.589 -3.284
219 HD11 LEU 31 1HD1 LEU 31 -5.729 -1.926 -2.589
220 HD12 LEU 31 2HD1 LEU 31 -5.230 -3.423 -1.802
221 HD13 LEU 31 3HD1 LEU 31 -5.057 -3.245 -3.547
222 HD21 LEU 31 3HD2 LEU 31 -4.427 -0.557 -1.246
223 HD22 LEU 31 1HD2 LEU 31 -2.666 -0.648 -1.223
224 HD23 LEU 31 2HD2 LEU 31 -3.620 -1.803 -0.293
225 H ARG 32 H ARG 32 0.709 -2.625 -3.320
226 HA ARG 32 HA ARG 32 1.320 -5.305 -3.857
227 HB2 ARG 32 1HB ARG 32 2.679 -2.694 -4.273
228 HB3 ARG 32 2HB ARG 32 3.669 -4.142 -4.393
229 HG2 ARG 32 1HG ARG 32 2.841 -3.453 -6.572
230 HG3 ARG 32 2HG ARG 32 2.189 -5.027 -6.113
231 HD2 ARG 32 1HD ARG 32 0.065 -4.192 -5.760
232 HD3 ARG 32 2HD ARG 32 0.645 -2.550 -5.485
233 HE ARG 32 HE ARG 32 0.619 -2.179 -7.763
234 HH11 ARG 32 1HH1 ARG 32 0.070 -5.550 -7.088
235 HH12 ARG 32 2HH1 ARG 32 -0.411 -5.930 -8.708
236 HH21 ARG 32 1HH2 ARG 32 -0.013 -2.667 -9.899
237 HH22 ARG 32 2HH2 ARG 32 -0.457 -4.290 -10.307
238 H ILE 33 H ILE 33 2.733 -3.030 -1.534
239 HA ILE 33 HA ILE 33 4.726 -4.789 -0.566
240 HB ILE 33 HB ILE 33 5.098 -3.239 1.185
241 HG12 ILE 33 1HG1 ILE 33 2.443 -1.929 0.580
242 HG13 ILE 33 2HG1 ILE 33 2.657 -3.130 1.849
243 HG21 ILE 33 1HG2 ILE 33 4.427 -2.157 -1.477
244 HG22 ILE 33 2HG2 ILE 33 4.641 -0.976 -0.186
245 HG23 ILE 33 3HG2 ILE 33 5.942 -2.102 -0.576
246 HD11 ILE 33 3HD1 ILE 33 4.110 -1.707 3.063
247 HD12 ILE 33 1HD1 ILE 33 4.221 -0.570 1.719
248 HD13 ILE 33 2HD1 ILE 33 2.704 -0.748 2.601
249 H HIS 34 H HIS 34 1.346 -4.429 0.121
250 HA HIS 34 HA HIS 34 1.364 -5.778 2.638
251 HB2 HIS 34 1HB HIS 34 -0.809 -5.064 0.677
252 HB3 HIS 34 2HB HIS 34 -1.144 -6.004 2.128
253 HD1 HIS 34 HD1 HIS 34 0.493 -4.507 4.203
254 HD2 HIS 34 HD2 HIS 34 -1.790 -2.614 1.293
255 HE1 HIS 34 HE1 HIS 34 0.009 -2.214 5.115
256 H THR 35 H THR 35 0.657 -6.754 -0.696
257 HA THR 35 HA THR 35 0.654 -9.562 0.194
258 HB THR 35 HB THR 35 -1.433 -8.843 -0.909
259 HG1 THR 35 HG1 THR 35 -0.065 -10.985 -1.378
260 HG21 THR 35 3HG2 THR 35 -1.335 -8.442 -3.390
261 HG22 THR 35 1HG2 THR 35 0.411 -8.267 -3.225
262 HG23 THR 35 2HG2 THR 35 -0.669 -7.142 -2.402
263 H GLY 36 H GLY 36 3.089 -8.164 -0.183
264 HA2 GLY 36 1HA GLY 36 4.098 -9.395 -2.673
265 HA3 GLY 36 2HA GLY 36 4.790 -7.959 -1.934
266 H SER 37 H SER 37 6.578 -8.255 -0.793
267 HA SER 37 HA SER 37 7.784 -10.742 -0.433
268 HB2 SER 37 1HB SER 37 9.479 -9.610 0.766
269 HB3 SER 37 2HB SER 37 8.857 -8.412 -0.368
270 HG SER 37 HG SER 37 8.794 -8.432 2.366
271 H GLY 38 H GLY 38 7.638 -12.292 1.071
272 HA2 GLY 38 1HA GLY 38 5.523 -12.382 2.901
273 HA3 GLY 38 2HA GLY 38 6.918 -13.451 2.915
274 HA PRO 39 HA PRO 39 6.883 -10.212 6.462
275 HB2 PRO 39 1HB PRO 39 5.636 -11.633 8.411
276 HB3 PRO 39 2HB PRO 39 4.775 -10.549 7.312
277 HG2 PRO 39 1HG PRO 39 5.062 -13.527 7.196
278 HG3 PRO 39 2HG PRO 39 3.623 -12.529 6.913
279 HD2 PRO 39 1HD PRO 39 5.106 -13.555 4.893
280 HD3 PRO 39 2HD PRO 39 4.260 -12.000 4.761
281 H SER 40 H SER 40 8.024 -13.194 5.649
282 HA SER 40 HA SER 40 9.340 -13.873 8.122
283 HB2 SER 40 1HB SER 40 10.362 -15.688 6.848
284 HB3 SER 40 2HB SER 40 8.633 -15.615 6.508
285 HG SER 40 HG SER 40 9.612 -15.787 4.552
286 H SER 41 H SER 41 9.963 -11.278 7.466
287 HA SER 41 HA SER 41 12.812 -11.368 7.453
288 HB2 SER 41 1HB SER 41 13.215 -10.084 5.416
289 HB3 SER 41 2HB SER 41 12.384 -11.589 5.021
290 HG SER 41 HG SER 41 11.305 -8.976 5.154
291 H GLY 42 H GLY 42 13.148 -10.002 9.080
292 HA2 GLY 42 1HA GLY 42 12.535 -7.233 8.831
293 HA3 GLY 42 2HA GLY 42 11.461 -8.007 9.987
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -20.469 25.629 -5.786
2 HA2 GLY 1 1HA GLY 1 -19.338 25.587 -3.738
3 HA3 GLY 1 2HA GLY 1 -20.379 24.272 -3.216
4 H SER 2 H SER 2 -18.825 22.874 -2.514
5 HA SER 2 HA SER 2 -17.239 21.593 -4.603
6 HB2 SER 2 1HB SER 2 -16.042 22.604 -2.012
7 HB3 SER 2 2HB SER 2 -15.206 21.607 -3.202
8 HG SER 2 HG SER 2 -16.382 24.046 -3.967
9 H SER 3 H SER 3 -17.315 19.447 -4.442
10 HA SER 3 HA SER 3 -18.867 18.180 -2.447
11 HB2 SER 3 1HB SER 3 -18.770 17.178 -4.621
12 HB3 SER 3 2HB SER 3 -17.010 17.076 -4.562
13 HG SER 3 HG SER 3 -18.724 15.725 -2.753
14 H GLY 4 H GLY 4 -17.805 18.930 -0.504
15 HA2 GLY 4 1HA GLY 4 -15.817 17.022 0.401
16 HA3 GLY 4 2HA GLY 4 -15.272 18.692 0.359
17 H SER 5 H SER 5 -16.887 16.327 2.151
18 HA SER 5 HA SER 5 -18.472 18.067 3.785
19 HB2 SER 5 1HB SER 5 -19.036 15.679 3.473
20 HB3 SER 5 2HB SER 5 -17.557 15.229 4.321
21 HG SER 5 HG SER 5 -18.426 15.806 6.182
22 H SER 6 H SER 6 -15.512 16.178 4.421
23 HA SER 6 HA SER 6 -14.732 18.236 6.376
24 HB2 SER 6 1HB SER 6 -15.450 16.410 7.726
25 HB3 SER 6 2HB SER 6 -14.633 15.235 6.695
26 HG SER 6 HG SER 6 -12.647 16.109 7.395
27 H GLY 7 H GLY 7 -13.419 19.139 4.709
28 HA2 GLY 7 1HA GLY 7 -11.286 19.514 3.895
29 HA3 GLY 7 2HA GLY 7 -10.772 18.019 4.661
30 H GLY 8 H GLY 8 -9.561 17.392 2.851
31 HA2 GLY 8 1HA GLY 8 -10.882 15.752 1.002
32 HA3 GLY 8 2HA GLY 8 -10.550 17.289 0.218
33 H GLU 9 H GLU 9 -8.959 14.713 2.081
34 HA GLU 9 HA GLU 9 -6.728 14.795 0.213
35 HB2 GLU 9 1HB GLU 9 -6.532 15.487 3.120
36 HB3 GLU 9 2HB GLU 9 -5.190 14.665 2.336
37 HG2 GLU 9 1HG GLU 9 -6.385 17.245 1.358
38 HG3 GLU 9 2HG GLU 9 -4.983 17.140 2.421
39 H LYS 10 H LYS 10 -6.368 12.776 -0.391
40 HA LYS 10 HA LYS 10 -6.205 10.508 -0.394
41 HB2 LYS 10 1HB LYS 10 -5.926 10.698 2.605
42 HB3 LYS 10 2HB LYS 10 -5.317 9.431 1.548
43 HG2 LYS 10 1HG LYS 10 -3.673 10.888 0.623
44 HG3 LYS 10 2HG LYS 10 -4.375 12.286 1.441
45 HD2 LYS 10 1HD LYS 10 -3.550 11.662 3.501
46 HD3 LYS 10 2HD LYS 10 -3.460 9.954 3.065
47 HE2 LYS 10 1HE LYS 10 -1.228 10.712 3.167
48 HE3 LYS 10 2HE LYS 10 -1.620 10.603 1.451
49 HZ1 LYS 10 3HZ LYS 10 -1.779 13.120 3.013
50 HZ2 LYS 10 1HZ LYS 10 -1.897 12.945 1.334
51 HZ3 LYS 10 2HZ LYS 10 -0.423 12.661 2.113
52 HA PRO 11 HA PRO 11 -10.630 10.337 1.251
53 HB2 PRO 11 1HB PRO 11 -11.866 10.310 -1.166
54 HB3 PRO 11 2HB PRO 11 -11.495 11.802 -0.294
55 HG2 PRO 11 1HG PRO 11 -10.011 10.506 -2.548
56 HG3 PRO 11 2HG PRO 11 -10.394 12.220 -2.299
57 HD2 PRO 11 1HD PRO 11 -7.959 11.175 -1.742
58 HD3 PRO 11 2HD PRO 11 -8.653 12.523 -0.819
59 H TYR 12 H TYR 12 -8.413 8.498 -0.320
60 HA TYR 12 HA TYR 12 -10.246 6.197 -0.517
61 HB2 TYR 12 1HB TYR 12 -7.726 6.735 -2.102
62 HB3 TYR 12 2HB TYR 12 -8.669 5.251 -2.184
63 HD1 TYR 12 HD1 TYR 12 -8.727 8.876 -2.910
64 HD2 TYR 12 HD2 TYR 12 -10.639 5.121 -3.506
65 HE1 TYR 12 HE1 TYR 12 -10.135 9.877 -4.661
66 HE2 TYR 12 HE2 TYR 12 -12.051 6.112 -5.259
67 HH TYR 12 HH TYR 12 -11.997 8.024 -6.805
68 HA PRO 13 HA PRO 13 -7.378 5.230 2.930
69 HB2 PRO 13 1HB PRO 13 -9.207 3.775 4.312
70 HB3 PRO 13 2HB PRO 13 -9.097 5.535 4.424
71 HG2 PRO 13 1HG PRO 13 -10.975 3.854 2.809
72 HG3 PRO 13 2HG PRO 13 -11.315 5.309 3.764
73 HD2 PRO 13 1HD PRO 13 -11.029 5.367 1.072
74 HD3 PRO 13 2HD PRO 13 -10.551 6.724 2.112
75 H CYS 14 H CYS 14 -6.172 3.413 3.180
76 HA CYS 14 HA CYS 14 -6.320 1.366 1.245
77 HB2 CYS 14 1HB CYS 14 -4.189 1.905 2.194
78 HB3 CYS 14 2HB CYS 14 -4.769 1.589 3.826
79 H GLU 15 H GLU 15 -6.493 -0.969 1.713
80 HA GLU 15 HA GLU 15 -8.756 -1.455 3.508
81 HB2 GLU 15 1HB GLU 15 -9.274 -2.223 1.352
82 HB3 GLU 15 2HB GLU 15 -7.668 -2.895 1.107
83 HG2 GLU 15 1HG GLU 15 -8.127 -4.796 2.297
84 HG3 GLU 15 2HG GLU 15 -9.379 -4.020 3.264
85 H ILE 16 H ILE 16 -5.496 -2.585 2.780
86 HA ILE 16 HA ILE 16 -5.464 -4.728 4.627
87 HB ILE 16 HB ILE 16 -3.119 -3.125 3.599
88 HG12 ILE 16 1HG1 ILE 16 -3.041 -5.376 2.154
89 HG13 ILE 16 2HG1 ILE 16 -4.779 -5.297 2.422
90 HG21 ILE 16 1HG2 ILE 16 -1.947 -5.357 4.022
91 HG22 ILE 16 2HG2 ILE 16 -2.340 -4.363 5.424
92 HG23 ILE 16 3HG2 ILE 16 -3.343 -5.757 5.021
93 HD11 ILE 16 3HD1 ILE 16 -3.369 -4.039 0.423
94 HD12 ILE 16 1HD1 ILE 16 -5.023 -3.682 0.921
95 HD13 ILE 16 2HD1 ILE 16 -3.681 -2.751 1.586
96 H CYS 17 H CYS 17 -3.498 -1.773 4.890
97 HA CYS 17 HA CYS 17 -3.591 -1.993 7.789
98 HB2 CYS 17 1HB CYS 17 -1.891 -0.214 7.761
99 HB3 CYS 17 2HB CYS 17 -1.430 -1.566 6.731
100 H GLY 18 H GLY 18 -4.371 0.411 5.285
101 HA2 GLY 18 1HA GLY 18 -6.654 1.444 5.751
102 HA3 GLY 18 2HA GLY 18 -5.950 1.874 7.303
103 H THR 19 H THR 19 -3.314 2.378 5.983
104 HA THR 19 HA THR 19 -3.272 5.072 5.818
105 HB THR 19 HB THR 19 -1.664 3.116 4.175
106 HG1 THR 19 HG1 THR 19 -1.485 3.266 6.566
107 HG21 THR 19 3HG2 THR 19 -1.725 6.060 4.115
108 HG22 THR 19 1HG2 THR 19 -1.141 4.913 2.910
109 HG23 THR 19 2HG2 THR 19 -0.123 5.343 4.284
110 H ARG 20 H ARG 20 -4.193 6.576 4.595
111 HA ARG 20 HA ARG 20 -5.615 5.809 2.192
112 HB2 ARG 20 1HB ARG 20 -5.368 8.578 3.364
113 HB3 ARG 20 2HB ARG 20 -6.608 7.980 2.269
114 HG2 ARG 20 1HG ARG 20 -7.761 6.927 3.922
115 HG3 ARG 20 2HG ARG 20 -6.317 6.627 4.891
116 HD2 ARG 20 1HD ARG 20 -7.183 9.443 4.496
117 HD3 ARG 20 2HD ARG 20 -8.126 8.432 5.590
118 HE ARG 20 HE ARG 20 -5.432 9.406 5.998
119 HH11 ARG 20 1HH1 ARG 20 -7.896 7.145 6.968
120 HH12 ARG 20 2HH1 ARG 20 -7.215 6.877 8.538
121 HH21 ARG 20 1HH2 ARG 20 -4.526 9.061 8.063
122 HH22 ARG 20 2HH2 ARG 20 -5.299 7.968 9.161
123 H PHE 21 H PHE 21 -5.492 7.425 0.305
124 HA PHE 21 HA PHE 21 -2.802 8.455 -0.144
125 HB2 PHE 21 1HB PHE 21 -4.098 6.297 -1.806
126 HB3 PHE 21 2HB PHE 21 -2.801 7.313 -2.428
127 HD1 PHE 21 HD2 PHE 21 -3.608 5.067 0.428
128 HD2 PHE 21 HD1 PHE 21 -0.609 6.662 -2.136
129 HE1 PHE 21 HE2 PHE 21 -1.947 3.557 1.437
130 HE2 PHE 21 HE1 PHE 21 1.056 5.153 -1.133
131 HZ PHE 21 HZ PHE 21 0.388 3.599 0.657
132 H ARG 22 H ARG 22 -2.789 10.279 -1.329
133 HA ARG 22 HA ARG 22 -4.852 11.922 -1.720
134 HB2 ARG 22 1HB ARG 22 -3.634 13.009 -3.531
135 HB3 ARG 22 2HB ARG 22 -2.528 12.514 -2.257
136 HG2 ARG 22 1HG ARG 22 -2.185 10.400 -3.708
137 HG3 ARG 22 2HG ARG 22 -2.875 11.385 -5.000
138 HD2 ARG 22 1HD ARG 22 -0.525 12.220 -3.307
139 HD3 ARG 22 2HD ARG 22 -0.378 11.426 -4.874
140 HE ARG 22 HE ARG 22 -1.944 13.545 -5.433
141 HH11 ARG 22 1HH1 ARG 22 1.093 13.229 -3.760
142 HH12 ARG 22 2HH1 ARG 22 1.655 14.805 -4.212
143 HH21 ARG 22 1HH2 ARG 22 -1.215 15.621 -6.035
144 HH22 ARG 22 2HH2 ARG 22 0.341 16.164 -5.506
145 H HIS 23 H HIS 23 -3.862 9.470 -4.096
146 HA HIS 23 HA HIS 23 -6.542 9.695 -5.301
147 HB2 HIS 23 1HB HIS 23 -3.849 9.551 -6.569
148 HB3 HIS 23 2HB HIS 23 -5.180 8.727 -7.375
149 HD2 HIS 23 HD2 HIS 23 -4.627 12.412 -6.006
150 HE1 HIS 23 HE1 HIS 23 -6.865 12.526 -9.608
151 HE2 HIS 23 HE2 HIS 23 -5.720 13.889 -7.827
152 H LEU 24 H LEU 24 -7.191 7.679 -6.496
153 HA LEU 24 HA LEU 24 -6.840 5.422 -4.743
154 HB2 LEU 24 1HB LEU 24 -9.018 5.999 -5.741
155 HB3 LEU 24 2HB LEU 24 -8.362 5.643 -7.337
156 HG LEU 24 HG LEU 24 -9.755 3.819 -6.578
157 HD11 LEU 24 1HD1 LEU 24 -8.315 2.060 -7.081
158 HD12 LEU 24 2HD1 LEU 24 -6.936 2.838 -6.304
159 HD13 LEU 24 3HD1 LEU 24 -7.548 3.456 -7.838
160 HD21 LEU 24 3HD2 LEU 24 -8.334 4.273 -4.080
161 HD22 LEU 24 1HD2 LEU 24 -8.387 2.571 -4.539
162 HD23 LEU 24 2HD2 LEU 24 -9.886 3.487 -4.376
163 H GLN 25 H GLN 25 -6.492 5.780 -8.279
164 HA GLN 25 HA GLN 25 -5.355 3.501 -9.041
165 HB2 GLN 25 1HB GLN 25 -3.919 4.778 -10.629
166 HB3 GLN 25 2HB GLN 25 -5.594 5.313 -10.604
167 HG2 GLN 25 1HG GLN 25 -5.086 7.306 -9.570
168 HG3 GLN 25 2HG GLN 25 -3.580 6.690 -8.891
169 HE21 GLN 25 1HE2 GLN 25 -1.779 7.300 -9.847
170 HE22 GLN 25 2HE2 GLN 25 -1.638 7.912 -11.456
171 H THR 26 H THR 26 -3.758 5.929 -7.072
172 HA THR 26 HA THR 26 -1.184 4.688 -7.140
173 HB THR 26 HB THR 26 -2.277 6.675 -5.137
174 HG1 THR 26 HG1 THR 26 -1.948 7.080 -7.637
175 HG21 THR 26 3HG2 THR 26 -0.367 6.178 -4.061
176 HG22 THR 26 1HG2 THR 26 0.420 7.094 -5.345
177 HG23 THR 26 2HG2 THR 26 0.310 5.337 -5.455
178 H LEU 27 H LEU 27 -3.708 4.908 -4.630
179 HA LEU 27 HA LEU 27 -2.576 3.424 -2.639
180 HB2 LEU 27 1HB LEU 27 -4.668 4.430 -2.240
181 HB3 LEU 27 2HB LEU 27 -5.423 3.572 -3.582
182 HG LEU 27 HG LEU 27 -5.256 1.472 -2.310
183 HD11 LEU 27 1HD1 LEU 27 -4.216 3.235 -0.097
184 HD12 LEU 27 2HD1 LEU 27 -3.300 2.004 -0.964
185 HD13 LEU 27 3HD1 LEU 27 -4.657 1.535 0.059
186 HD21 LEU 27 3HD2 LEU 27 -6.965 3.666 -1.819
187 HD22 LEU 27 1HD2 LEU 27 -6.627 2.909 -0.262
188 HD23 LEU 27 2HD2 LEU 27 -7.296 1.949 -1.582
189 H LYS 28 H LYS 28 -4.336 2.183 -5.458
190 HA LYS 28 HA LYS 28 -4.370 -0.511 -4.852
191 HB2 LYS 28 1HB LYS 28 -4.284 1.031 -7.409
192 HB3 LYS 28 2HB LYS 28 -4.082 -0.715 -7.472
193 HG2 LYS 28 1HG LYS 28 -6.225 -1.100 -6.578
194 HG3 LYS 28 2HG LYS 28 -6.401 0.583 -6.074
195 HD2 LYS 28 1HD LYS 28 -6.755 1.325 -8.255
196 HD3 LYS 28 2HD LYS 28 -6.040 -0.124 -8.965
197 HE2 LYS 28 1HE LYS 28 -7.990 -1.391 -7.921
198 HE3 LYS 28 2HE LYS 28 -8.726 0.188 -7.651
199 HZ1 LYS 28 3HZ LYS 28 -8.154 -1.176 -10.197
200 HZ2 LYS 28 1HZ LYS 28 -8.262 0.512 -10.152
201 HZ3 LYS 28 2HZ LYS 28 -9.583 -0.433 -9.681
202 H SER 29 H SER 29 -1.743 1.442 -6.136
203 HA SER 29 HA SER 29 -0.018 -0.785 -6.657
204 HB2 SER 29 1HB SER 29 0.710 2.138 -6.350
205 HB3 SER 29 2HB SER 29 1.690 0.885 -7.112
206 HG SER 29 HG SER 29 -0.912 1.452 -8.036
207 H HIS 30 H HIS 30 -0.815 1.101 -3.897
208 HA HIS 30 HA HIS 30 1.593 0.618 -2.426
209 HB2 HIS 30 1HB HIS 30 0.546 2.461 -1.558
210 HB3 HIS 30 2HB HIS 30 -1.067 1.820 -1.857
211 HD1 HIS 30 HD1 HIS 30 1.826 1.299 0.546
212 HD2 HIS 30 HD2 HIS 30 -2.297 0.826 0.352
213 HE1 HIS 30 HE1 HIS 30 1.119 0.617 2.861
214 H LEU 31 H LEU 31 -1.446 -1.037 -2.857
215 HA LEU 31 HA LEU 31 -1.297 -2.751 -0.617
216 HB2 LEU 31 1HB LEU 31 -2.572 -3.559 -3.200
217 HB3 LEU 31 2HB LEU 31 -3.077 -3.920 -1.551
218 HG LEU 31 HG LEU 31 -3.474 -1.399 -3.130
219 HD11 LEU 31 1HD1 LEU 31 -5.097 -3.614 -2.222
220 HD12 LEU 31 2HD1 LEU 31 -5.464 -2.351 -3.397
221 HD13 LEU 31 3HD1 LEU 31 -5.740 -2.064 -1.679
222 HD21 LEU 31 3HD2 LEU 31 -2.606 -0.632 -1.031
223 HD22 LEU 31 1HD2 LEU 31 -3.647 -1.742 -0.141
224 HD23 LEU 31 2HD2 LEU 31 -4.354 -0.394 -1.031
225 H ARG 32 H ARG 32 0.671 -2.557 -3.296
226 HA ARG 32 HA ARG 32 1.171 -5.261 -3.900
227 HB2 ARG 32 1HB ARG 32 2.565 -2.679 -4.352
228 HB3 ARG 32 2HB ARG 32 3.538 -4.138 -4.481
229 HG2 ARG 32 1HG ARG 32 2.716 -3.517 -6.653
230 HG3 ARG 32 2HG ARG 32 1.949 -5.021 -6.142
231 HD2 ARG 32 1HD ARG 32 -0.101 -4.013 -5.798
232 HD3 ARG 32 2HD ARG 32 0.608 -2.414 -5.580
233 HE ARG 32 HE ARG 32 0.590 -2.113 -7.868
234 HH11 ARG 32 1HH1 ARG 32 -0.220 -5.406 -7.082
235 HH12 ARG 32 2HH1 ARG 32 -0.747 -5.796 -8.685
236 HH21 ARG 32 1HH2 ARG 32 -0.100 -2.615 -9.983
237 HH22 ARG 32 2HH2 ARG 32 -0.678 -4.208 -10.335
238 H ILE 33 H ILE 33 2.679 -3.042 -1.586
239 HA ILE 33 HA ILE 33 4.673 -4.835 -0.692
240 HB ILE 33 HB ILE 33 5.109 -3.317 1.064
241 HG12 ILE 33 1HG1 ILE 33 2.403 -2.051 0.593
242 HG13 ILE 33 2HG1 ILE 33 2.734 -3.219 1.868
243 HG21 ILE 33 1HG2 ILE 33 4.384 -2.211 -1.559
244 HG22 ILE 33 2HG2 ILE 33 4.542 -1.025 -0.264
245 HG23 ILE 33 3HG2 ILE 33 5.891 -2.093 -0.652
246 HD11 ILE 33 3HD1 ILE 33 2.827 -0.581 2.234
247 HD12 ILE 33 1HD1 ILE 33 3.827 -1.715 3.142
248 HD13 ILE 33 2HD1 ILE 33 4.501 -0.861 1.754
249 H HIS 34 H HIS 34 1.326 -4.361 0.176
250 HA HIS 34 HA HIS 34 1.375 -5.770 2.635
251 HB2 HIS 34 1HB HIS 34 -0.813 -5.024 0.709
252 HB3 HIS 34 2HB HIS 34 -1.146 -6.013 2.128
253 HD1 HIS 34 HD1 HIS 34 0.336 -4.650 4.322
254 HD2 HIS 34 HD2 HIS 34 -1.639 -2.535 1.341
255 HE1 HIS 34 HE1 HIS 34 -0.109 -2.375 5.295
256 H THR 35 H THR 35 0.254 -6.759 -0.604
257 HA THR 35 HA THR 35 0.359 -9.557 0.255
258 HB THR 35 HB THR 35 -1.703 -8.767 -0.868
259 HG1 THR 35 HG1 THR 35 -0.093 -10.798 -1.982
260 HG21 THR 35 3HG2 THR 35 -1.703 -8.228 -3.222
261 HG22 THR 35 1HG2 THR 35 0.035 -8.503 -3.323
262 HG23 THR 35 2HG2 THR 35 -0.590 -7.145 -2.388
263 H GLY 36 H GLY 36 1.972 -10.860 -0.328
264 HA2 GLY 36 1HA GLY 36 3.276 -11.643 -2.326
265 HA3 GLY 36 2HA GLY 36 3.744 -9.960 -2.514
266 H SER 37 H SER 37 4.217 -9.324 0.179
267 HA SER 37 HA SER 37 6.265 -11.207 1.071
268 HB2 SER 37 1HB SER 37 7.997 -9.525 1.183
269 HB3 SER 37 2HB SER 37 7.369 -9.567 -0.464
270 HG SER 37 HG SER 37 7.315 -7.548 1.377
271 H GLY 38 H GLY 38 7.261 -10.379 3.200
272 HA2 GLY 38 1HA GLY 38 6.772 -8.800 5.084
273 HA3 GLY 38 2HA GLY 38 5.083 -9.204 4.816
274 HA PRO 39 HA PRO 39 6.470 -11.942 8.216
275 HB2 PRO 39 1HB PRO 39 4.075 -11.915 9.493
276 HB3 PRO 39 2HB PRO 39 5.296 -10.656 9.715
277 HG2 PRO 39 1HG PRO 39 2.851 -10.641 7.987
278 HG3 PRO 39 2HG PRO 39 3.494 -9.357 9.027
279 HD2 PRO 39 1HD PRO 39 3.870 -9.385 6.346
280 HD3 PRO 39 2HD PRO 39 5.066 -8.710 7.471
281 H SER 40 H SER 40 4.545 -12.242 5.562
282 HA SER 40 HA SER 40 3.167 -14.675 6.270
283 HB2 SER 40 1HB SER 40 2.453 -14.697 3.916
284 HB3 SER 40 2HB SER 40 2.180 -13.115 4.647
285 HG SER 40 HG SER 40 3.141 -12.874 2.619
286 H SER 41 H SER 41 5.872 -14.948 6.775
287 HA SER 41 HA SER 41 7.539 -15.951 4.855
288 HB2 SER 41 1HB SER 41 7.171 -17.041 7.657
289 HB3 SER 41 2HB SER 41 8.579 -17.312 6.630
290 HG SER 41 HG SER 41 9.000 -15.096 6.701
291 H GLY 42 H GLY 42 7.157 -17.396 3.317
292 HA2 GLY 42 1HA GLY 42 5.938 -19.956 4.071
293 HA3 GLY 42 2HA GLY 42 5.217 -19.049 2.750
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -3.572 23.182 19.808
2 HA2 GLY 1 1HA GLY 1 -4.466 24.353 17.605
3 HA3 GLY 1 2HA GLY 1 -3.514 25.668 18.278
4 H SER 2 H SER 2 -2.949 22.158 18.093
5 HA SER 2 HA SER 2 -0.445 22.747 16.653
6 HB2 SER 2 1HB SER 2 0.483 20.695 17.772
7 HB3 SER 2 2HB SER 2 0.129 22.023 18.877
8 HG SER 2 HG SER 2 -1.941 20.241 18.456
9 H SER 3 H SER 3 -1.190 22.355 14.602
10 HA SER 3 HA SER 3 -1.417 19.604 13.831
11 HB2 SER 3 1HB SER 3 -3.645 19.822 12.756
12 HB3 SER 3 2HB SER 3 -3.729 19.962 14.512
13 HG SER 3 HG SER 3 -4.891 21.580 13.124
14 H GLY 4 H GLY 4 -0.213 19.501 12.062
15 HA2 GLY 4 1HA GLY 4 -0.162 21.842 10.265
16 HA3 GLY 4 2HA GLY 4 1.165 20.708 10.464
17 H SER 5 H SER 5 -0.373 21.602 8.064
18 HA SER 5 HA SER 5 -0.604 19.014 6.841
19 HB2 SER 5 1HB SER 5 -2.902 19.028 6.283
20 HB3 SER 5 2HB SER 5 -2.855 19.452 7.994
21 HG SER 5 HG SER 5 -2.702 21.729 6.854
22 H SER 6 H SER 6 -0.050 19.137 4.753
23 HA SER 6 HA SER 6 -0.581 21.482 3.165
24 HB2 SER 6 1HB SER 6 1.681 22.116 2.714
25 HB3 SER 6 2HB SER 6 1.517 22.040 4.469
26 HG SER 6 HG SER 6 2.887 20.439 4.524
27 H GLY 7 H GLY 7 -1.143 20.738 1.235
28 HA2 GLY 7 1HA GLY 7 0.037 19.485 -0.701
29 HA3 GLY 7 2HA GLY 7 -0.121 18.114 0.388
30 H GLY 8 H GLY 8 -2.040 17.045 0.529
31 HA2 GLY 8 1HA GLY 8 -4.430 18.225 -0.656
32 HA3 GLY 8 2HA GLY 8 -3.795 16.790 -1.448
33 H GLU 9 H GLU 9 -5.814 15.760 -0.955
34 HA GLU 9 HA GLU 9 -5.941 14.829 1.837
35 HB2 GLU 9 1HB GLU 9 -8.427 14.586 1.459
36 HB3 GLU 9 2HB GLU 9 -7.832 16.238 1.559
37 HG2 GLU 9 1HG GLU 9 -8.100 14.943 -1.110
38 HG3 GLU 9 2HG GLU 9 -9.537 15.546 -0.286
39 H LYS 10 H LYS 10 -6.528 12.669 2.173
40 HA LYS 10 HA LYS 10 -6.229 10.962 -0.207
41 HB2 LYS 10 1HB LYS 10 -5.591 10.425 2.697
42 HB3 LYS 10 2HB LYS 10 -5.534 9.197 1.440
43 HG2 LYS 10 1HG LYS 10 -3.348 9.799 1.462
44 HG3 LYS 10 2HG LYS 10 -3.946 10.972 0.286
45 HD2 LYS 10 1HD LYS 10 -4.305 12.517 2.303
46 HD3 LYS 10 2HD LYS 10 -3.272 11.388 3.183
47 HE2 LYS 10 1HE LYS 10 -1.974 13.252 2.303
48 HE3 LYS 10 2HE LYS 10 -1.493 11.736 1.542
49 HZ1 LYS 10 3HZ LYS 10 -2.743 12.300 -0.400
50 HZ2 LYS 10 1HZ LYS 10 -1.729 13.604 -0.031
51 HZ3 LYS 10 2HZ LYS 10 -3.379 13.685 0.334
52 HA PRO 11 HA PRO 11 -10.606 10.410 1.243
53 HB2 PRO 11 1HB PRO 11 -11.685 10.477 -1.247
54 HB3 PRO 11 2HB PRO 11 -11.385 11.933 -0.291
55 HG2 PRO 11 1HG PRO 11 -9.748 10.745 -2.498
56 HG3 PRO 11 2HG PRO 11 -10.162 12.443 -2.202
57 HD2 PRO 11 1HD PRO 11 -7.757 11.393 -1.535
58 HD3 PRO 11 2HD PRO 11 -8.522 12.695 -0.602
59 H TYR 12 H TYR 12 -8.278 8.662 -0.289
60 HA TYR 12 HA TYR 12 -10.071 6.355 -0.682
61 HB2 TYR 12 1HB TYR 12 -7.477 6.993 -2.100
62 HB3 TYR 12 2HB TYR 12 -8.382 5.496 -2.292
63 HD1 TYR 12 HD1 TYR 12 -8.470 9.143 -2.887
64 HD2 TYR 12 HD2 TYR 12 -10.282 5.384 -3.716
65 HE1 TYR 12 HE1 TYR 12 -9.802 10.186 -4.672
66 HE2 TYR 12 HE2 TYR 12 -11.618 6.416 -5.505
67 HH TYR 12 HH TYR 12 -12.461 8.960 -5.936
68 HA PRO 13 HA PRO 13 -7.388 5.265 2.876
69 HB2 PRO 13 1HB PRO 13 -9.276 3.743 4.095
70 HB3 PRO 13 2HB PRO 13 -9.187 5.498 4.286
71 HG2 PRO 13 1HG PRO 13 -10.961 3.873 2.503
72 HG3 PRO 13 2HG PRO 13 -11.364 5.286 3.497
73 HD2 PRO 13 1HD PRO 13 -10.933 5.457 0.829
74 HD3 PRO 13 2HD PRO 13 -10.524 6.772 1.949
75 H CYS 14 H CYS 14 -6.360 3.320 3.360
76 HA CYS 14 HA CYS 14 -6.392 1.359 1.260
77 HB2 CYS 14 1HB CYS 14 -4.264 1.938 2.214
78 HB3 CYS 14 2HB CYS 14 -4.830 1.562 3.838
79 H GLU 15 H GLU 15 -6.534 -0.979 1.708
80 HA GLU 15 HA GLU 15 -8.771 -1.509 3.526
81 HB2 GLU 15 1HB GLU 15 -9.230 -2.203 1.291
82 HB3 GLU 15 2HB GLU 15 -7.674 -3.010 1.152
83 HG2 GLU 15 1HG GLU 15 -9.065 -4.793 1.471
84 HG3 GLU 15 2HG GLU 15 -8.569 -4.456 3.129
85 H ILE 16 H ILE 16 -5.505 -2.577 2.749
86 HA ILE 16 HA ILE 16 -5.422 -4.754 4.554
87 HB ILE 16 HB ILE 16 -3.127 -3.090 3.509
88 HG12 ILE 16 1HG1 ILE 16 -2.999 -5.349 2.081
89 HG13 ILE 16 2HG1 ILE 16 -4.735 -5.323 2.373
90 HG21 ILE 16 1HG2 ILE 16 -2.060 -5.505 3.905
91 HG22 ILE 16 2HG2 ILE 16 -2.072 -4.251 5.144
92 HG23 ILE 16 3HG2 ILE 16 -3.285 -5.531 5.173
93 HD11 ILE 16 3HD1 ILE 16 -3.301 -3.961 0.396
94 HD12 ILE 16 1HD1 ILE 16 -5.017 -3.824 0.777
95 HD13 ILE 16 2HD1 ILE 16 -3.856 -2.734 1.535
96 H CYS 17 H CYS 17 -3.518 -1.761 4.854
97 HA CYS 17 HA CYS 17 -3.602 -2.035 7.754
98 HB2 CYS 17 1HB CYS 17 -1.912 -0.221 7.736
99 HB3 CYS 17 2HB CYS 17 -1.431 -1.604 6.758
100 H GLY 18 H GLY 18 -4.343 0.419 5.284
101 HA2 GLY 18 1HA GLY 18 -6.635 1.446 5.757
102 HA3 GLY 18 2HA GLY 18 -5.927 1.861 7.311
103 H THR 19 H THR 19 -3.293 2.312 5.874
104 HA THR 19 HA THR 19 -3.185 5.010 5.788
105 HB THR 19 HB THR 19 -1.711 3.028 4.061
106 HG1 THR 19 HG1 THR 19 -1.341 4.259 6.531
107 HG21 THR 19 3HG2 THR 19 -1.552 4.958 2.745
108 HG22 THR 19 1HG2 THR 19 -0.096 5.005 3.737
109 HG23 THR 19 2HG2 THR 19 -1.477 6.021 4.150
110 H ARG 20 H ARG 20 -4.094 6.583 4.643
111 HA ARG 20 HA ARG 20 -5.608 5.906 2.250
112 HB2 ARG 20 1HB ARG 20 -5.434 8.622 3.542
113 HB3 ARG 20 2HB ARG 20 -6.709 7.987 2.510
114 HG2 ARG 20 1HG ARG 20 -7.694 6.823 4.200
115 HG3 ARG 20 2HG ARG 20 -6.177 6.589 5.071
116 HD2 ARG 20 1HD ARG 20 -6.306 8.614 6.120
117 HD3 ARG 20 2HD ARG 20 -7.213 9.359 4.804
118 HE ARG 20 HE ARG 20 -8.288 7.900 7.060
119 HH11 ARG 20 1HH1 ARG 20 -8.865 9.190 3.879
120 HH12 ARG 20 2HH1 ARG 20 -10.587 9.227 4.063
121 HH21 ARG 20 1HH2 ARG 20 -10.554 7.943 7.315
122 HH22 ARG 20 2HH2 ARG 20 -11.547 8.518 6.019
123 H PHE 21 H PHE 21 -5.395 7.050 0.272
124 HA PHE 21 HA PHE 21 -2.809 8.409 -0.092
125 HB2 PHE 21 1HB PHE 21 -4.066 6.284 -1.827
126 HB3 PHE 21 2HB PHE 21 -2.781 7.341 -2.401
127 HD1 PHE 21 HD2 PHE 21 -3.584 4.930 0.312
128 HD2 PHE 21 HD1 PHE 21 -0.568 6.755 -2.072
129 HE1 PHE 21 HE2 PHE 21 -1.908 3.405 1.271
130 HE2 PHE 21 HE1 PHE 21 1.113 5.233 -1.117
131 HZ PHE 21 HZ PHE 21 0.444 3.556 0.558
132 H ARG 22 H ARG 22 -2.750 10.085 -1.588
133 HA ARG 22 HA ARG 22 -4.859 11.787 -1.790
134 HB2 ARG 22 1HB ARG 22 -2.559 12.378 -2.421
135 HB3 ARG 22 2HB ARG 22 -2.702 11.396 -3.872
136 HG2 ARG 22 1HG ARG 22 -3.112 13.470 -4.729
137 HG3 ARG 22 2HG ARG 22 -4.756 12.957 -4.344
138 HD2 ARG 22 1HD ARG 22 -4.363 15.239 -3.596
139 HD3 ARG 22 2HD ARG 22 -4.637 14.167 -2.223
140 HE ARG 22 HE ARG 22 -2.488 14.564 -1.520
141 HH11 ARG 22 1HH1 ARG 22 -2.874 15.714 -4.783
142 HH12 ARG 22 2HH1 ARG 22 -1.342 16.523 -4.817
143 HH21 ARG 22 1HH2 ARG 22 -0.470 15.626 -1.552
144 HH22 ARG 22 2HH2 ARG 22 0.025 16.472 -2.980
145 H HIS 23 H HIS 23 -3.879 9.516 -4.362
146 HA HIS 23 HA HIS 23 -6.630 9.670 -5.408
147 HB2 HIS 23 1HB HIS 23 -3.977 9.505 -6.763
148 HB3 HIS 23 2HB HIS 23 -5.350 8.711 -7.529
149 HD2 HIS 23 HD2 HIS 23 -6.269 12.010 -5.793
150 HE1 HIS 23 HE1 HIS 23 -5.869 12.828 -9.937
151 HE2 HIS 23 HE2 HIS 23 -6.547 13.745 -7.691
152 H LEU 24 H LEU 24 -7.264 7.645 -6.652
153 HA LEU 24 HA LEU 24 -6.943 5.394 -4.890
154 HB2 LEU 24 1HB LEU 24 -9.088 6.023 -6.005
155 HB3 LEU 24 2HB LEU 24 -8.377 5.519 -7.537
156 HG LEU 24 HG LEU 24 -9.871 3.813 -6.651
157 HD11 LEU 24 1HD1 LEU 24 -8.488 1.976 -7.027
158 HD12 LEU 24 2HD1 LEU 24 -7.083 2.766 -6.312
159 HD13 LEU 24 3HD1 LEU 24 -7.684 3.291 -7.885
160 HD21 LEU 24 3HD2 LEU 24 -8.409 2.740 -4.508
161 HD22 LEU 24 1HD2 LEU 24 -10.006 3.488 -4.460
162 HD23 LEU 24 2HD2 LEU 24 -8.565 4.467 -4.184
163 H GLN 25 H GLN 25 -6.477 5.778 -8.410
164 HA GLN 25 HA GLN 25 -5.333 3.493 -9.153
165 HB2 GLN 25 1HB GLN 25 -3.840 4.776 -10.684
166 HB3 GLN 25 2HB GLN 25 -5.514 5.314 -10.711
167 HG2 GLN 25 1HG GLN 25 -5.014 7.254 -9.466
168 HG3 GLN 25 2HG GLN 25 -3.411 6.656 -9.043
169 HE21 GLN 25 1HE2 GLN 25 -1.762 7.287 -10.249
170 HE22 GLN 25 2HE2 GLN 25 -1.875 8.039 -11.801
171 H THR 26 H THR 26 -3.768 5.919 -7.146
172 HA THR 26 HA THR 26 -1.210 4.646 -7.130
173 HB THR 26 HB THR 26 -2.343 6.668 -5.186
174 HG1 THR 26 HG1 THR 26 -1.946 7.068 -7.652
175 HG21 THR 26 3HG2 THR 26 0.475 6.847 -5.496
176 HG22 THR 26 1HG2 THR 26 0.074 5.168 -5.139
177 HG23 THR 26 2HG2 THR 26 -0.444 6.451 -4.045
178 H LEU 27 H LEU 27 -3.873 4.837 -4.775
179 HA LEU 27 HA LEU 27 -2.814 3.397 -2.699
180 HB2 LEU 27 1HB LEU 27 -4.940 4.397 -2.437
181 HB3 LEU 27 2HB LEU 27 -5.614 3.483 -3.785
182 HG LEU 27 HG LEU 27 -5.570 1.449 -2.474
183 HD11 LEU 27 1HD1 LEU 27 -4.342 3.157 -0.316
184 HD12 LEU 27 2HD1 LEU 27 -3.571 1.823 -1.174
185 HD13 LEU 27 3HD1 LEU 27 -4.930 1.509 -0.095
186 HD21 LEU 27 3HD2 LEU 27 -6.868 2.737 -0.375
187 HD22 LEU 27 1HD2 LEU 27 -7.595 2.130 -1.863
188 HD23 LEU 27 2HD2 LEU 27 -7.068 3.810 -1.761
189 H LYS 28 H LYS 28 -4.411 2.119 -5.596
190 HA LYS 28 HA LYS 28 -4.413 -0.579 -4.947
191 HB2 LYS 28 1HB LYS 28 -4.227 0.879 -7.569
192 HB3 LYS 28 2HB LYS 28 -4.197 -0.879 -7.510
193 HG2 LYS 28 1HG LYS 28 -6.379 -1.017 -6.731
194 HG3 LYS 28 2HG LYS 28 -6.388 0.656 -6.170
195 HD2 LYS 28 1HD LYS 28 -6.640 1.504 -8.328
196 HD3 LYS 28 2HD LYS 28 -6.079 0.009 -9.082
197 HE2 LYS 28 1HE LYS 28 -8.578 0.021 -7.438
198 HE3 LYS 28 2HE LYS 28 -8.614 0.601 -9.102
199 HZ1 LYS 28 3HZ LYS 28 -7.896 -1.499 -9.889
200 HZ2 LYS 28 1HZ LYS 28 -9.159 -1.800 -8.804
201 HZ3 LYS 28 2HZ LYS 28 -7.556 -2.059 -8.329
202 H SER 29 H SER 29 -1.794 1.476 -5.953
203 HA SER 29 HA SER 29 -0.006 -0.719 -6.533
204 HB2 SER 29 1HB SER 29 0.600 2.233 -6.230
205 HB3 SER 29 2HB SER 29 1.674 1.014 -6.918
206 HG SER 29 HG SER 29 0.227 2.402 -8.352
207 H HIS 30 H HIS 30 -0.966 1.080 -3.786
208 HA HIS 30 HA HIS 30 1.430 0.693 -2.255
209 HB2 HIS 30 1HB HIS 30 0.277 2.511 -1.444
210 HB3 HIS 30 2HB HIS 30 -1.298 1.776 -1.730
211 HD1 HIS 30 HD1 HIS 30 1.642 1.344 0.645
212 HD2 HIS 30 HD2 HIS 30 -2.482 0.853 0.523
213 HE1 HIS 30 HE1 HIS 30 0.974 0.682 2.978
214 H LEU 31 H LEU 31 -1.362 -1.178 -2.974
215 HA LEU 31 HA LEU 31 -1.249 -2.873 -0.668
216 HB2 LEU 31 1HB LEU 31 -2.488 -3.738 -3.238
217 HB3 LEU 31 2HB LEU 31 -3.024 -4.021 -1.583
218 HG LEU 31 HG LEU 31 -3.371 -1.552 -3.261
219 HD11 LEU 31 1HD1 LEU 31 -5.120 -3.654 -2.103
220 HD12 LEU 31 2HD1 LEU 31 -5.200 -2.848 -3.669
221 HD13 LEU 31 3HD1 LEU 31 -5.753 -2.011 -2.218
222 HD21 LEU 31 3HD2 LEU 31 -3.657 -1.861 -0.280
223 HD22 LEU 31 1HD2 LEU 31 -4.418 -0.565 -1.203
224 HD23 LEU 31 2HD2 LEU 31 -2.660 -0.701 -1.159
225 H ARG 32 H ARG 32 0.820 -2.517 -3.188
226 HA ARG 32 HA ARG 32 1.379 -5.231 -3.856
227 HB2 ARG 32 1HB ARG 32 2.672 -2.594 -4.352
228 HB3 ARG 32 2HB ARG 32 3.655 -4.038 -4.548
229 HG2 ARG 32 1HG ARG 32 2.696 -3.359 -6.664
230 HG3 ARG 32 2HG ARG 32 2.039 -4.917 -6.160
231 HD2 ARG 32 1HD ARG 32 -0.029 -3.990 -5.586
232 HD3 ARG 32 2HD ARG 32 0.622 -2.352 -5.525
233 HE ARG 32 HE ARG 32 -0.476 -3.636 -7.786
234 HH11 ARG 32 1HH1 ARG 32 2.133 -1.529 -6.851
235 HH12 ARG 32 2HH1 ARG 32 2.239 -0.758 -8.399
236 HH21 ARG 32 1HH2 ARG 32 -0.347 -2.628 -9.828
237 HH22 ARG 32 2HH2 ARG 32 0.827 -1.383 -10.091
238 H ILE 33 H ILE 33 2.414 -3.061 -1.342
239 HA ILE 33 HA ILE 33 4.633 -4.733 -0.531
240 HB ILE 33 HB ILE 33 5.093 -3.133 1.142
241 HG12 ILE 33 1HG1 ILE 33 2.375 -1.900 0.654
242 HG13 ILE 33 2HG1 ILE 33 2.738 -2.995 1.983
243 HG21 ILE 33 1HG2 ILE 33 4.363 -0.932 -0.374
244 HG22 ILE 33 2HG2 ILE 33 5.852 -1.864 -0.521
245 HG23 ILE 33 3HG2 ILE 33 4.467 -2.249 -1.542
246 HD11 ILE 33 3HD1 ILE 33 4.146 -0.378 1.533
247 HD12 ILE 33 1HD1 ILE 33 2.750 -0.587 2.590
248 HD13 ILE 33 2HD1 ILE 33 4.259 -1.431 2.943
249 H HIS 34 H HIS 34 1.295 -4.681 -0.024
250 HA HIS 34 HA HIS 34 1.368 -5.837 2.631
251 HB2 HIS 34 1HB HIS 34 -0.836 -5.152 0.701
252 HB3 HIS 34 2HB HIS 34 -1.153 -6.115 2.141
253 HD1 HIS 34 HD1 HIS 34 0.296 -4.705 4.312
254 HD2 HIS 34 HD2 HIS 34 -1.652 -2.648 1.273
255 HE1 HIS 34 HE1 HIS 34 -0.159 -2.412 5.238
256 H THR 35 H THR 35 0.487 -6.892 -0.646
257 HA THR 35 HA THR 35 0.587 -9.680 0.292
258 HB THR 35 HB THR 35 -1.544 -9.153 -0.710
259 HG1 THR 35 HG1 THR 35 0.118 -11.022 -1.643
260 HG21 THR 35 3HG2 THR 35 -0.848 -7.226 -2.055
261 HG22 THR 35 1HG2 THR 35 -1.740 -8.394 -3.028
262 HG23 THR 35 2HG2 THR 35 0.017 -8.302 -3.153
263 H GLY 36 H GLY 36 2.073 -11.061 -0.496
264 HA2 GLY 36 1HA GLY 36 3.433 -11.862 -2.337
265 HA3 GLY 36 2HA GLY 36 3.673 -10.188 -2.815
266 H SER 37 H SER 37 5.680 -12.224 -2.307
267 HA SER 37 HA SER 37 6.909 -11.559 0.217
268 HB2 SER 37 1HB SER 37 7.097 -13.828 -0.786
269 HB3 SER 37 2HB SER 37 8.044 -13.138 -2.104
270 HG SER 37 HG SER 37 9.472 -12.353 -0.352
271 H GLY 38 H GLY 38 7.608 -10.970 -3.218
272 HA2 GLY 38 1HA GLY 38 8.468 -8.904 -4.019
273 HA3 GLY 38 2HA GLY 38 9.122 -8.587 -2.419
274 HA PRO 39 HA PRO 39 12.672 -9.853 -5.058
275 HB2 PRO 39 1HB PRO 39 14.401 -8.072 -3.958
276 HB3 PRO 39 2HB PRO 39 13.309 -7.657 -5.285
277 HG2 PRO 39 1HG PRO 39 13.013 -7.131 -2.353
278 HG3 PRO 39 2HG PRO 39 12.675 -6.056 -3.722
279 HD2 PRO 39 1HD PRO 39 10.725 -7.403 -2.411
280 HD3 PRO 39 2HD PRO 39 10.629 -7.031 -4.145
281 H SER 40 H SER 40 14.258 -11.271 -4.510
282 HA SER 40 HA SER 40 14.199 -12.551 -2.020
283 HB2 SER 40 1HB SER 40 16.244 -13.720 -2.792
284 HB3 SER 40 2HB SER 40 14.991 -13.684 -4.032
285 HG SER 40 HG SER 40 16.100 -11.960 -5.013
286 H SER 41 H SER 41 14.564 -11.291 -0.260
287 HA SER 41 HA SER 41 16.152 -9.179 0.182
288 HB2 SER 41 1HB SER 41 15.636 -11.549 1.969
289 HB3 SER 41 2HB SER 41 16.576 -10.165 2.525
290 HG SER 41 HG SER 41 13.859 -10.313 1.828
291 H GLY 42 H GLY 42 18.296 -8.787 0.908
292 HA2 GLY 42 1HA GLY 42 20.377 -10.425 1.371
293 HA3 GLY 42 2HA GLY 42 20.235 -10.517 -0.378
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -16.434 22.809 16.674
2 HA2 GLY 1 1HA GLY 1 -13.781 22.740 16.622
3 HA3 GLY 1 2HA GLY 1 -14.139 21.077 16.180
4 H SER 2 H SER 2 -12.750 22.226 14.345
5 HA SER 2 HA SER 2 -14.644 23.257 12.337
6 HB2 SER 2 1HB SER 2 -12.627 24.690 13.106
7 HB3 SER 2 2HB SER 2 -11.656 23.572 12.147
8 HG SER 2 HG SER 2 -13.914 24.620 10.918
9 H SER 3 H SER 3 -14.739 22.325 10.333
10 HA SER 3 HA SER 3 -12.848 20.360 9.454
11 HB2 SER 3 1HB SER 3 -14.269 18.419 9.494
12 HB3 SER 3 2HB SER 3 -14.231 19.086 11.126
13 HG SER 3 HG SER 3 -16.323 19.066 10.944
14 H GLY 4 H GLY 4 -13.527 19.374 7.351
15 HA2 GLY 4 1HA GLY 4 -14.979 19.436 5.429
16 HA3 GLY 4 2HA GLY 4 -15.501 21.037 5.931
17 H SER 5 H SER 5 -12.324 19.523 5.355
18 HA SER 5 HA SER 5 -11.695 21.793 3.583
19 HB2 SER 5 1HB SER 5 -10.020 20.312 5.586
20 HB3 SER 5 2HB SER 5 -9.252 21.106 4.211
21 HG SER 5 HG SER 5 -10.289 22.190 6.475
22 H SER 6 H SER 6 -13.011 19.597 2.551
23 HA SER 6 HA SER 6 -11.519 17.489 1.581
24 HB2 SER 6 1HB SER 6 -14.029 17.911 1.331
25 HB3 SER 6 2HB SER 6 -13.617 18.890 -0.077
26 HG SER 6 HG SER 6 -13.915 16.279 0.027
27 H GLY 7 H GLY 7 -10.421 17.091 -0.381
28 HA2 GLY 7 1HA GLY 7 -9.586 17.895 -2.515
29 HA3 GLY 7 2HA GLY 7 -9.527 19.508 -1.819
30 H GLY 8 H GLY 8 -7.636 17.059 -2.815
31 HA2 GLY 8 1HA GLY 8 -5.310 16.946 -2.658
32 HA3 GLY 8 2HA GLY 8 -5.372 18.055 -1.297
33 H GLU 9 H GLU 9 -7.209 16.625 0.309
34 HA GLU 9 HA GLU 9 -5.515 14.972 1.755
35 HB2 GLU 9 1HB GLU 9 -7.487 14.243 2.978
36 HB3 GLU 9 2HB GLU 9 -7.572 15.971 2.666
37 HG2 GLU 9 1HG GLU 9 -9.153 15.633 0.896
38 HG3 GLU 9 2HG GLU 9 -8.978 13.883 1.018
39 H LYS 10 H LYS 10 -6.491 12.594 2.323
40 HA LYS 10 HA LYS 10 -6.348 11.131 -0.226
41 HB2 LYS 10 1HB LYS 10 -5.602 10.244 2.567
42 HB3 LYS 10 2HB LYS 10 -5.520 9.228 1.134
43 HG2 LYS 10 1HG LYS 10 -3.358 9.901 1.225
44 HG3 LYS 10 2HG LYS 10 -4.016 11.222 0.257
45 HD2 LYS 10 1HD LYS 10 -4.435 12.314 2.608
46 HD3 LYS 10 2HD LYS 10 -3.165 11.198 3.117
47 HE2 LYS 10 1HE LYS 10 -2.005 13.141 2.558
48 HE3 LYS 10 2HE LYS 10 -1.834 12.126 1.127
49 HZ1 LYS 10 3HZ LYS 10 -2.858 14.699 1.261
50 HZ2 LYS 10 1HZ LYS 10 -4.172 13.691 0.916
51 HZ3 LYS 10 2HZ LYS 10 -2.812 13.679 -0.088
52 HA PRO 11 HA PRO 11 -10.652 10.417 1.283
53 HB2 PRO 11 1HB PRO 11 -11.762 10.476 -1.194
54 HB3 PRO 11 2HB PRO 11 -11.470 11.933 -0.237
55 HG2 PRO 11 1HG PRO 11 -9.843 10.774 -2.466
56 HG3 PRO 11 2HG PRO 11 -10.277 12.466 -2.160
57 HD2 PRO 11 1HD PRO 11 -7.850 11.447 -1.524
58 HD3 PRO 11 2HD PRO 11 -8.622 12.736 -0.579
59 H TYR 12 H TYR 12 -8.318 8.704 -0.276
60 HA TYR 12 HA TYR 12 -10.086 6.380 -0.676
61 HB2 TYR 12 1HB TYR 12 -7.492 7.058 -2.076
62 HB3 TYR 12 2HB TYR 12 -8.364 5.541 -2.271
63 HD1 TYR 12 HD1 TYR 12 -8.542 9.189 -2.858
64 HD2 TYR 12 HD2 TYR 12 -10.236 5.382 -3.721
65 HE1 TYR 12 HE1 TYR 12 -9.885 10.200 -4.654
66 HE2 TYR 12 HE2 TYR 12 -11.582 6.382 -5.520
67 HH TYR 12 HH TYR 12 -11.877 9.779 -5.923
68 HA PRO 13 HA PRO 13 -7.414 5.308 2.899
69 HB2 PRO 13 1HB PRO 13 -9.301 3.780 4.113
70 HB3 PRO 13 2HB PRO 13 -9.219 5.536 4.302
71 HG2 PRO 13 1HG PRO 13 -10.980 3.904 2.514
72 HG3 PRO 13 2HG PRO 13 -11.392 5.316 3.505
73 HD2 PRO 13 1HD PRO 13 -10.952 5.486 0.839
74 HD3 PRO 13 2HD PRO 13 -10.552 6.804 1.959
75 H CYS 14 H CYS 14 -6.389 3.362 3.396
76 HA CYS 14 HA CYS 14 -6.407 1.399 1.296
77 HB2 CYS 14 1HB CYS 14 -4.277 1.959 2.222
78 HB3 CYS 14 2HB CYS 14 -4.839 1.651 3.862
79 H GLU 15 H GLU 15 -6.536 -0.940 1.755
80 HA GLU 15 HA GLU 15 -8.765 -1.473 3.583
81 HB2 GLU 15 1HB GLU 15 -9.387 -2.256 1.491
82 HB3 GLU 15 2HB GLU 15 -7.758 -2.781 1.089
83 HG2 GLU 15 1HG GLU 15 -7.972 -4.771 2.193
84 HG3 GLU 15 2HG GLU 15 -9.186 -4.147 3.309
85 H ILE 16 H ILE 16 -5.512 -2.555 2.761
86 HA ILE 16 HA ILE 16 -5.407 -4.739 4.548
87 HB ILE 16 HB ILE 16 -3.129 -3.049 3.509
88 HG12 ILE 16 1HG1 ILE 16 -2.989 -5.304 2.072
89 HG13 ILE 16 2HG1 ILE 16 -4.724 -5.286 2.366
90 HG21 ILE 16 1HG2 ILE 16 -2.110 -5.529 3.893
91 HG22 ILE 16 2HG2 ILE 16 -1.986 -4.211 5.057
92 HG23 ILE 16 3HG2 ILE 16 -3.253 -5.425 5.231
93 HD11 ILE 16 3HD1 ILE 16 -4.941 -3.903 0.660
94 HD12 ILE 16 1HD1 ILE 16 -4.042 -2.688 1.569
95 HD13 ILE 16 2HD1 ILE 16 -3.191 -3.786 0.482
96 H CYS 17 H CYS 17 -3.529 -1.732 4.877
97 HA CYS 17 HA CYS 17 -3.594 -2.044 7.774
98 HB2 CYS 17 1HB CYS 17 -1.930 -0.196 7.761
99 HB3 CYS 17 2HB CYS 17 -1.431 -1.580 6.793
100 H GLY 18 H GLY 18 -4.364 0.441 5.343
101 HA2 GLY 18 1HA GLY 18 -6.670 1.432 5.849
102 HA3 GLY 18 2HA GLY 18 -5.945 1.845 7.396
103 H THR 19 H THR 19 -3.340 2.309 5.871
104 HA THR 19 HA THR 19 -3.252 5.016 5.818
105 HB THR 19 HB THR 19 -1.799 3.054 4.051
106 HG1 THR 19 HG1 THR 19 -1.518 3.572 6.523
107 HG21 THR 19 3HG2 THR 19 -1.690 6.040 4.072
108 HG22 THR 19 1HG2 THR 19 -1.586 4.923 2.712
109 HG23 THR 19 2HG2 THR 19 -0.209 5.123 3.796
110 H ARG 20 H ARG 20 -3.994 6.642 4.594
111 HA ARG 20 HA ARG 20 -5.636 5.958 2.273
112 HB2 ARG 20 1HB ARG 20 -5.388 8.612 3.696
113 HB3 ARG 20 2HB ARG 20 -6.599 8.167 2.501
114 HG2 ARG 20 1HG ARG 20 -7.813 6.938 3.980
115 HG3 ARG 20 2HG ARG 20 -6.402 6.505 4.948
116 HD2 ARG 20 1HD ARG 20 -6.448 8.475 6.138
117 HD3 ARG 20 2HD ARG 20 -7.287 9.351 4.858
118 HE ARG 20 HE ARG 20 -9.298 8.636 5.717
119 HH11 ARG 20 1HH1 ARG 20 -6.686 6.897 7.224
120 HH12 ARG 20 2HH1 ARG 20 -7.689 6.187 8.445
121 HH21 ARG 20 1HH2 ARG 20 -10.630 7.707 7.319
122 HH22 ARG 20 2HH2 ARG 20 -9.933 6.648 8.497
123 H PHE 21 H PHE 21 -5.360 6.898 0.252
124 HA PHE 21 HA PHE 21 -2.799 8.297 -0.158
125 HB2 PHE 21 1HB PHE 21 -4.090 6.133 -1.816
126 HB3 PHE 21 2HB PHE 21 -2.827 7.182 -2.455
127 HD1 PHE 21 HD2 PHE 21 -3.546 4.823 0.325
128 HD2 PHE 21 HD1 PHE 21 -0.597 6.634 -2.152
129 HE1 PHE 21 HE2 PHE 21 -1.836 3.334 1.279
130 HE2 PHE 21 HE1 PHE 21 1.118 5.148 -1.202
131 HZ PHE 21 HZ PHE 21 0.500 3.496 0.516
132 H ARG 22 H ARG 22 -2.839 10.126 -1.337
133 HA ARG 22 HA ARG 22 -4.959 11.726 -1.664
134 HB2 ARG 22 1HB ARG 22 -2.610 12.333 -2.211
135 HB3 ARG 22 2HB ARG 22 -2.775 11.475 -3.738
136 HG2 ARG 22 1HG ARG 22 -4.751 13.047 -4.182
137 HG3 ARG 22 2HG ARG 22 -4.095 14.014 -2.860
138 HD2 ARG 22 1HD ARG 22 -1.854 13.693 -4.239
139 HD3 ARG 22 2HD ARG 22 -2.994 13.491 -5.569
140 HE ARG 22 HE ARG 22 -3.843 15.758 -4.359
141 HH11 ARG 22 1HH1 ARG 22 -0.755 14.695 -5.566
142 HH12 ARG 22 2HH1 ARG 22 -0.216 16.292 -5.966
143 HH21 ARG 22 1HH2 ARG 22 -3.144 17.865 -4.881
144 HH22 ARG 22 2HH2 ARG 22 -1.575 18.095 -5.575
145 H HIS 23 H HIS 23 -3.815 9.592 -4.287
146 HA HIS 23 HA HIS 23 -6.505 9.749 -5.470
147 HB2 HIS 23 1HB HIS 23 -3.774 9.464 -6.632
148 HB3 HIS 23 2HB HIS 23 -5.116 8.700 -7.478
149 HD2 HIS 23 HD2 HIS 23 -5.585 12.211 -5.819
150 HE1 HIS 23 HE1 HIS 23 -5.659 12.670 -10.036
151 HE2 HIS 23 HE2 HIS 23 -5.906 13.828 -7.813
152 H LEU 24 H LEU 24 -7.045 7.701 -6.788
153 HA LEU 24 HA LEU 24 -6.885 5.465 -4.949
154 HB2 LEU 24 1HB LEU 24 -9.017 6.115 -6.004
155 HB3 LEU 24 2HB LEU 24 -8.336 5.714 -7.580
156 HG LEU 24 HG LEU 24 -9.826 3.959 -6.806
157 HD11 LEU 24 1HD1 LEU 24 -8.467 2.153 -7.333
158 HD12 LEU 24 2HD1 LEU 24 -7.060 2.849 -6.529
159 HD13 LEU 24 3HD1 LEU 24 -7.619 3.517 -8.062
160 HD21 LEU 24 3HD2 LEU 24 -8.463 4.415 -4.308
161 HD22 LEU 24 1HD2 LEU 24 -8.414 2.709 -4.752
162 HD23 LEU 24 2HD2 LEU 24 -9.963 3.543 -4.628
163 H GLN 25 H GLN 25 -6.430 5.799 -8.475
164 HA GLN 25 HA GLN 25 -5.344 3.457 -9.167
165 HB2 GLN 25 1HB GLN 25 -3.890 4.664 -10.787
166 HB3 GLN 25 2HB GLN 25 -5.554 5.233 -10.779
167 HG2 GLN 25 1HG GLN 25 -4.999 7.230 -9.731
168 HG3 GLN 25 2HG GLN 25 -3.458 6.605 -9.147
169 HE21 GLN 25 1HE2 GLN 25 -2.446 8.456 -10.030
170 HE22 GLN 25 2HE2 GLN 25 -2.123 8.569 -11.723
171 H THR 26 H THR 26 -3.815 5.840 -7.134
172 HA THR 26 HA THR 26 -1.224 4.592 -7.187
173 HB THR 26 HB THR 26 -2.319 6.662 -5.272
174 HG1 THR 26 HG1 THR 26 -1.472 6.807 -7.854
175 HG21 THR 26 3HG2 THR 26 0.489 6.834 -5.604
176 HG22 THR 26 1HG2 THR 26 0.102 5.153 -5.242
177 HG23 THR 26 2HG2 THR 26 -0.413 6.433 -4.144
178 H LEU 27 H LEU 27 -3.894 4.790 -4.850
179 HA LEU 27 HA LEU 27 -2.796 3.404 -2.739
180 HB2 LEU 27 1HB LEU 27 -4.900 4.393 -2.421
181 HB3 LEU 27 2HB LEU 27 -5.601 3.539 -3.795
182 HG LEU 27 HG LEU 27 -5.573 1.456 -2.543
183 HD11 LEU 27 1HD1 LEU 27 -3.553 1.927 -1.210
184 HD12 LEU 27 2HD1 LEU 27 -4.902 1.361 -0.227
185 HD13 LEU 27 3HD1 LEU 27 -4.483 3.073 -0.245
186 HD21 LEU 27 3HD2 LEU 27 -7.603 2.129 -1.940
187 HD22 LEU 27 1HD2 LEU 27 -7.074 3.806 -1.811
188 HD23 LEU 27 2HD2 LEU 27 -6.894 2.717 -0.435
189 H LYS 28 H LYS 28 -4.381 2.097 -5.624
190 HA LYS 28 HA LYS 28 -4.410 -0.595 -4.922
191 HB2 LYS 28 1HB LYS 28 -4.247 0.831 -7.561
192 HB3 LYS 28 2HB LYS 28 -4.193 -0.926 -7.489
193 HG2 LYS 28 1HG LYS 28 -6.366 -1.058 -6.591
194 HG3 LYS 28 2HG LYS 28 -6.401 0.668 -6.223
195 HD2 LYS 28 1HD LYS 28 -6.718 1.264 -8.442
196 HD3 LYS 28 2HD LYS 28 -6.062 -0.258 -9.049
197 HE2 LYS 28 1HE LYS 28 -8.072 -1.392 -8.034
198 HE3 LYS 28 2HE LYS 28 -8.737 0.216 -7.748
199 HZ1 LYS 28 3HZ LYS 28 -9.601 -0.624 -9.793
200 HZ2 LYS 28 1HZ LYS 28 -8.054 -0.986 -10.375
201 HZ3 LYS 28 2HZ LYS 28 -8.522 0.625 -10.163
202 H SER 29 H SER 29 -1.805 1.407 -6.135
203 HA SER 29 HA SER 29 -0.030 -0.802 -6.627
204 HB2 SER 29 1HB SER 29 0.028 1.470 -7.799
205 HB3 SER 29 2HB SER 29 0.775 2.092 -6.327
206 HG SER 29 HG SER 29 2.298 1.406 -7.936
207 H HIS 30 H HIS 30 -0.971 1.017 -3.903
208 HA HIS 30 HA HIS 30 1.453 0.695 -2.398
209 HB2 HIS 30 1HB HIS 30 0.292 2.506 -1.590
210 HB3 HIS 30 2HB HIS 30 -1.278 1.758 -1.863
211 HD1 HIS 30 HD1 HIS 30 1.685 1.249 0.477
212 HD2 HIS 30 HD2 HIS 30 -2.460 0.971 0.433
213 HE1 HIS 30 HE1 HIS 30 1.028 0.638 2.826
214 H LEU 31 H LEU 31 -1.394 -1.179 -2.977
215 HA LEU 31 HA LEU 31 -1.182 -2.853 -0.672
216 HB2 LEU 31 1HB LEU 31 -2.496 -3.785 -3.174
217 HB3 LEU 31 2HB LEU 31 -2.994 -3.996 -1.497
218 HG LEU 31 HG LEU 31 -3.344 -1.573 -3.247
219 HD11 LEU 31 1HD1 LEU 31 -5.332 -2.495 -3.590
220 HD12 LEU 31 2HD1 LEU 31 -5.683 -2.255 -1.878
221 HD13 LEU 31 3HD1 LEU 31 -4.996 -3.782 -2.432
222 HD21 LEU 31 3HD2 LEU 31 -3.520 -1.835 -0.262
223 HD22 LEU 31 1HD2 LEU 31 -4.460 -0.632 -1.145
224 HD23 LEU 31 2HD2 LEU 31 -2.698 -0.603 -1.220
225 H ARG 32 H ARG 32 0.847 -2.513 -3.200
226 HA ARG 32 HA ARG 32 1.379 -5.227 -3.897
227 HB2 ARG 32 1HB ARG 32 2.803 -2.621 -4.317
228 HB3 ARG 32 2HB ARG 32 3.609 -4.137 -4.694
229 HG2 ARG 32 1HG ARG 32 2.480 -3.020 -6.624
230 HG3 ARG 32 2HG ARG 32 1.989 -4.691 -6.336
231 HD2 ARG 32 1HD ARG 32 0.427 -2.507 -5.052
232 HD3 ARG 32 2HD ARG 32 0.217 -2.785 -6.781
233 HE ARG 32 HE ARG 32 -0.706 -4.452 -4.635
234 HH11 ARG 32 1HH1 ARG 32 0.242 -4.376 -7.983
235 HH12 ARG 32 2HH1 ARG 32 -0.676 -5.781 -8.411
236 HH21 ARG 32 1HH2 ARG 32 -1.920 -6.303 -5.185
237 HH22 ARG 32 2HH2 ARG 32 -1.907 -6.876 -6.818
238 H ILE 33 H ILE 33 2.402 -3.111 -1.346
239 HA ILE 33 HA ILE 33 4.632 -4.800 -0.577
240 HB ILE 33 HB ILE 33 5.097 -3.219 1.134
241 HG12 ILE 33 1HG1 ILE 33 2.467 -1.850 0.554
242 HG13 ILE 33 2HG1 ILE 33 2.682 -3.013 1.858
243 HG21 ILE 33 1HG2 ILE 33 4.634 -0.988 -0.319
244 HG22 ILE 33 2HG2 ILE 33 5.937 -2.130 -0.647
245 HG23 ILE 33 3HG2 ILE 33 4.428 -2.231 -1.553
246 HD11 ILE 33 3HD1 ILE 33 3.164 -1.238 3.107
247 HD12 ILE 33 1HD1 ILE 33 4.729 -1.257 2.295
248 HD13 ILE 33 2HD1 ILE 33 3.440 -0.209 1.702
249 H HIS 34 H HIS 34 1.293 -4.657 -0.006
250 HA HIS 34 HA HIS 34 1.365 -5.827 2.635
251 HB2 HIS 34 1HB HIS 34 -0.842 -5.164 0.698
252 HB3 HIS 34 2HB HIS 34 -1.154 -6.092 2.162
253 HD1 HIS 34 HD1 HIS 34 0.379 -4.613 4.262
254 HD2 HIS 34 HD2 HIS 34 -1.714 -2.668 1.245
255 HE1 HIS 34 HE1 HIS 34 -0.080 -2.302 5.144
256 H THR 35 H THR 35 0.592 -6.899 -0.655
257 HA THR 35 HA THR 35 0.508 -9.675 0.304
258 HB THR 35 HB THR 35 -1.431 -9.347 -0.935
259 HG1 THR 35 HG1 THR 35 -1.009 -10.440 -2.972
260 HG21 THR 35 3HG2 THR 35 -1.411 -8.208 -3.183
261 HG22 THR 35 1HG2 THR 35 0.248 -7.720 -2.839
262 HG23 THR 35 2HG2 THR 35 -1.068 -7.159 -1.808
263 H GLY 36 H GLY 36 2.003 -11.144 -0.295
264 HA2 GLY 36 1HA GLY 36 3.547 -12.022 -1.947
265 HA3 GLY 36 2HA GLY 36 3.937 -10.364 -2.382
266 H SER 37 H SER 37 6.077 -11.754 -2.007
267 HA SER 37 HA SER 37 7.958 -12.119 -0.764
268 HB2 SER 37 1HB SER 37 6.974 -9.507 0.398
269 HB3 SER 37 2HB SER 37 8.558 -10.194 0.755
270 HG SER 37 HG SER 37 7.750 -9.850 -1.914
271 H GLY 38 H GLY 38 5.778 -13.595 0.159
272 HA2 GLY 38 1HA GLY 38 5.952 -15.084 2.067
273 HA3 GLY 38 2HA GLY 38 6.389 -13.691 3.044
274 HA PRO 39 HA PRO 39 1.644 -14.542 2.765
275 HB2 PRO 39 1HB PRO 39 1.294 -16.415 4.699
276 HB3 PRO 39 2HB PRO 39 1.549 -16.826 2.999
277 HG2 PRO 39 1HG PRO 39 3.513 -16.808 5.258
278 HG3 PRO 39 2HG PRO 39 3.302 -18.006 3.968
279 HD2 PRO 39 1HD PRO 39 5.249 -16.125 3.905
280 HD3 PRO 39 2HD PRO 39 4.473 -16.746 2.434
281 H SER 40 H SER 40 1.722 -12.420 3.660
282 HA SER 40 HA SER 40 1.863 -12.302 6.596
283 HB2 SER 40 1HB SER 40 2.155 -9.847 6.276
284 HB3 SER 40 2HB SER 40 3.430 -10.796 5.513
285 HG SER 40 HG SER 40 2.273 -10.555 3.529
286 H SER 41 H SER 41 0.144 -11.670 7.782
287 HA SER 41 HA SER 41 -2.386 -11.327 6.357
288 HB2 SER 41 1HB SER 41 -2.002 -13.018 8.279
289 HB3 SER 41 2HB SER 41 -2.108 -11.614 9.340
290 HG SER 41 HG SER 41 -4.096 -12.056 7.406
291 H GLY 42 H GLY 42 -2.410 -9.196 5.735
292 HA2 GLY 42 1HA GLY 42 -3.428 -7.108 6.452
293 HA3 GLY 42 2HA GLY 42 -2.517 -7.247 7.948
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -1.896 31.357 8.495
2 HA2 GLY 1 1HA GLY 1 -4.477 32.031 7.222
3 HA3 GLY 1 2HA GLY 1 -3.608 30.549 6.854
4 H SER 2 H SER 2 -6.295 31.323 8.178
5 HA SER 2 HA SER 2 -6.087 30.193 10.815
6 HB2 SER 2 1HB SER 2 -8.439 30.578 10.994
7 HB3 SER 2 2HB SER 2 -7.771 31.953 10.114
8 HG SER 2 HG SER 2 -8.959 31.428 8.471
9 H SER 3 H SER 3 -6.433 28.144 11.442
10 HA SER 3 HA SER 3 -6.383 25.859 11.146
11 HB2 SER 3 1HB SER 3 -9.043 26.717 9.998
12 HB3 SER 3 2HB SER 3 -8.625 25.029 10.290
13 HG SER 3 HG SER 3 -8.430 25.481 12.472
14 H GLY 4 H GLY 4 -4.850 27.034 9.158
15 HA2 GLY 4 1HA GLY 4 -5.566 26.267 6.533
16 HA3 GLY 4 2HA GLY 4 -3.940 26.634 7.088
17 H SER 5 H SER 5 -2.516 25.023 7.125
18 HA SER 5 HA SER 5 -1.637 22.943 6.803
19 HB2 SER 5 1HB SER 5 -2.598 22.848 9.174
20 HB3 SER 5 2HB SER 5 -3.934 21.932 8.478
21 HG SER 5 HG SER 5 -1.925 20.705 7.541
22 H SER 6 H SER 6 -3.229 23.731 4.697
23 HA SER 6 HA SER 6 -4.592 21.232 3.934
24 HB2 SER 6 1HB SER 6 -5.243 24.100 3.386
25 HB3 SER 6 2HB SER 6 -5.689 22.884 2.189
26 HG SER 6 HG SER 6 -7.038 21.950 3.615
27 H GLY 7 H GLY 7 -4.340 20.494 1.774
28 HA2 GLY 7 1HA GLY 7 -3.131 21.399 -0.390
29 HA3 GLY 7 2HA GLY 7 -1.733 21.209 0.659
30 H GLY 8 H GLY 8 -4.640 19.250 -0.024
31 HA2 GLY 8 1HA GLY 8 -4.236 17.253 -1.482
32 HA3 GLY 8 2HA GLY 8 -2.822 16.965 -0.479
33 H GLU 9 H GLU 9 -5.757 15.805 -1.052
34 HA GLU 9 HA GLU 9 -6.184 15.024 1.757
35 HB2 GLU 9 1HB GLU 9 -8.122 15.854 -0.351
36 HB3 GLU 9 2HB GLU 9 -8.623 14.614 0.790
37 HG2 GLU 9 1HG GLU 9 -7.557 17.307 1.597
38 HG3 GLU 9 2HG GLU 9 -9.270 16.932 1.419
39 H LYS 10 H LYS 10 -6.661 12.883 2.182
40 HA LYS 10 HA LYS 10 -6.192 11.035 -0.062
41 HB2 LYS 10 1HB LYS 10 -5.902 10.261 2.823
42 HB3 LYS 10 2HB LYS 10 -5.144 9.548 1.405
43 HG2 LYS 10 1HG LYS 10 -4.508 12.317 2.383
44 HG3 LYS 10 2HG LYS 10 -3.634 10.877 2.910
45 HD2 LYS 10 1HD LYS 10 -3.152 10.393 0.501
46 HD3 LYS 10 2HD LYS 10 -3.855 11.962 0.105
47 HE2 LYS 10 1HE LYS 10 -2.141 13.133 1.144
48 HE3 LYS 10 2HE LYS 10 -1.668 11.755 2.137
49 HZ1 LYS 10 3HZ LYS 10 -1.368 11.058 -0.562
50 HZ2 LYS 10 1HZ LYS 10 -0.169 11.216 0.622
51 HZ3 LYS 10 2HZ LYS 10 -0.608 12.550 -0.321
52 HA PRO 11 HA PRO 11 -10.607 10.454 1.344
53 HB2 PRO 11 1HB PRO 11 -11.682 10.561 -1.146
54 HB3 PRO 11 2HB PRO 11 -11.411 11.999 -0.154
55 HG2 PRO 11 1HG PRO 11 -9.747 10.897 -2.385
56 HG3 PRO 11 2HG PRO 11 -10.194 12.579 -2.049
57 HD2 PRO 11 1HD PRO 11 -7.771 11.559 -1.401
58 HD3 PRO 11 2HD PRO 11 -8.563 12.824 -0.439
59 H TYR 12 H TYR 12 -8.241 8.785 -0.206
60 HA TYR 12 HA TYR 12 -9.991 6.466 -0.704
61 HB2 TYR 12 1HB TYR 12 -7.358 7.183 -2.006
62 HB3 TYR 12 2HB TYR 12 -8.210 5.664 -2.256
63 HD1 TYR 12 HD1 TYR 12 -8.424 9.324 -2.761
64 HD2 TYR 12 HD2 TYR 12 -10.009 5.512 -3.789
65 HE1 TYR 12 HE1 TYR 12 -9.717 10.359 -4.580
66 HE2 TYR 12 HE2 TYR 12 -11.305 6.535 -5.611
67 HH TYR 12 HH TYR 12 -11.188 10.036 -6.208
68 HA PRO 13 HA PRO 13 -7.426 5.326 2.931
69 HB2 PRO 13 1HB PRO 13 -9.357 3.796 4.072
70 HB3 PRO 13 2HB PRO 13 -9.266 5.548 4.290
71 HG2 PRO 13 1HG PRO 13 -10.993 3.958 2.432
72 HG3 PRO 13 2HG PRO 13 -11.419 5.357 3.434
73 HD2 PRO 13 1HD PRO 13 -10.908 5.565 0.783
74 HD3 PRO 13 2HD PRO 13 -10.527 6.862 1.933
75 H CYS 14 H CYS 14 -6.458 3.347 3.455
76 HA CYS 14 HA CYS 14 -6.444 1.415 1.315
77 HB2 CYS 14 1HB CYS 14 -4.333 2.021 2.330
78 HB3 CYS 14 2HB CYS 14 -4.919 1.551 3.922
79 H GLU 15 H GLU 15 -6.586 -0.928 1.757
80 HA GLU 15 HA GLU 15 -8.826 -1.464 3.576
81 HB2 GLU 15 1HB GLU 15 -9.241 -3.453 2.239
82 HB3 GLU 15 2HB GLU 15 -9.158 -2.035 1.204
83 HG2 GLU 15 1HG GLU 15 -6.753 -2.656 0.758
84 HG3 GLU 15 2HG GLU 15 -7.098 -4.189 1.557
85 H ILE 16 H ILE 16 -5.570 -2.504 2.756
86 HA ILE 16 HA ILE 16 -5.492 -4.743 4.496
87 HB ILE 16 HB ILE 16 -3.200 -3.081 3.444
88 HG12 ILE 16 1HG1 ILE 16 -3.107 -5.318 1.983
89 HG13 ILE 16 2HG1 ILE 16 -4.837 -5.292 2.307
90 HG21 ILE 16 1HG2 ILE 16 -3.346 -5.543 5.077
91 HG22 ILE 16 2HG2 ILE 16 -2.141 -5.506 3.790
92 HG23 ILE 16 3HG2 ILE 16 -2.126 -4.270 5.048
93 HD11 ILE 16 3HD1 ILE 16 -4.073 -2.689 1.512
94 HD12 ILE 16 1HD1 ILE 16 -3.367 -3.835 0.373
95 HD13 ILE 16 2HD1 ILE 16 -5.107 -3.841 0.667
96 H CYS 17 H CYS 17 -3.559 -1.773 4.832
97 HA CYS 17 HA CYS 17 -3.589 -2.115 7.725
98 HB2 CYS 17 1HB CYS 17 -1.904 -0.286 7.710
99 HB3 CYS 17 2HB CYS 17 -1.436 -1.661 6.715
100 H GLY 18 H GLY 18 -4.384 0.395 5.330
101 HA2 GLY 18 1HA GLY 18 -6.668 1.406 5.889
102 HA3 GLY 18 2HA GLY 18 -5.911 1.798 7.426
103 H THR 19 H THR 19 -3.330 2.252 5.855
104 HA THR 19 HA THR 19 -3.164 4.937 5.840
105 HB THR 19 HB THR 19 -1.912 3.059 3.833
106 HG1 THR 19 HG1 THR 19 -0.982 4.253 6.250
107 HG21 THR 19 3HG2 THR 19 -1.786 5.988 4.074
108 HG22 THR 19 1HG2 THR 19 -1.418 4.947 2.699
109 HG23 THR 19 2HG2 THR 19 -0.222 5.180 3.974
110 H ARG 20 H ARG 20 -3.824 6.643 4.651
111 HA ARG 20 HA ARG 20 -5.652 6.081 2.427
112 HB2 ARG 20 1HB ARG 20 -5.294 8.697 3.889
113 HB3 ARG 20 2HB ARG 20 -6.613 8.241 2.819
114 HG2 ARG 20 1HG ARG 20 -7.455 6.672 4.408
115 HG3 ARG 20 2HG ARG 20 -6.034 6.875 5.436
116 HD2 ARG 20 1HD ARG 20 -7.555 8.220 6.513
117 HD3 ARG 20 2HD ARG 20 -6.768 9.383 5.447
118 HE ARG 20 HE ARG 20 -8.874 8.504 3.983
119 HH11 ARG 20 1HH1 ARG 20 -8.548 9.825 7.187
120 HH12 ARG 20 2HH1 ARG 20 -10.120 10.555 7.187
121 HH21 ARG 20 1HH2 ARG 20 -10.944 9.460 3.971
122 HH22 ARG 20 2HH2 ARG 20 -11.482 10.346 5.357
123 H PHE 21 H PHE 21 -5.404 7.000 0.420
124 HA PHE 21 HA PHE 21 -2.867 8.426 -0.045
125 HB2 PHE 21 1HB PHE 21 -4.255 6.366 -1.763
126 HB3 PHE 21 2HB PHE 21 -2.944 7.384 -2.349
127 HD1 PHE 21 HD2 PHE 21 -3.781 4.921 0.303
128 HD2 PHE 21 HD1 PHE 21 -0.740 6.729 -2.063
129 HE1 PHE 21 HE2 PHE 21 -2.143 3.310 1.183
130 HE2 PHE 21 HE1 PHE 21 0.903 5.120 -1.187
131 HZ PHE 21 HZ PHE 21 0.202 3.408 0.439
132 H ARG 22 H ARG 22 -2.852 9.908 -1.863
133 HA ARG 22 HA ARG 22 -5.060 11.650 -1.856
134 HB2 ARG 22 1HB ARG 22 -3.877 12.824 -3.689
135 HB3 ARG 22 2HB ARG 22 -2.831 12.470 -2.320
136 HG2 ARG 22 1HG ARG 22 -1.912 10.547 -3.524
137 HG3 ARG 22 2HG ARG 22 -2.950 10.924 -4.901
138 HD2 ARG 22 1HD ARG 22 -0.854 11.850 -5.430
139 HD3 ARG 22 2HD ARG 22 -1.850 13.211 -4.914
140 HE ARG 22 HE ARG 22 -0.249 12.018 -2.827
141 HH11 ARG 22 1HH1 ARG 22 -0.424 14.436 -5.326
142 HH12 ARG 22 2HH1 ARG 22 0.799 15.440 -4.620
143 HH21 ARG 22 1HH2 ARG 22 1.362 13.332 -1.889
144 HH22 ARG 22 2HH2 ARG 22 1.814 14.811 -2.666
145 H HIS 23 H HIS 23 -3.912 9.342 -4.302
146 HA HIS 23 HA HIS 23 -6.573 9.496 -5.560
147 HB2 HIS 23 1HB HIS 23 -3.847 9.484 -6.768
148 HB3 HIS 23 2HB HIS 23 -5.136 8.649 -7.630
149 HD2 HIS 23 HD2 HIS 23 -5.470 12.159 -5.846
150 HE1 HIS 23 HE1 HIS 23 -6.333 12.575 -9.979
151 HE2 HIS 23 HE2 HIS 23 -6.162 13.755 -7.760
152 H LEU 24 H LEU 24 -7.336 7.536 -6.563
153 HA LEU 24 HA LEU 24 -6.849 5.237 -4.957
154 HB2 LEU 24 1HB LEU 24 -9.018 5.902 -6.092
155 HB3 LEU 24 2HB LEU 24 -8.309 5.293 -7.586
156 HG LEU 24 HG LEU 24 -8.420 3.085 -6.891
157 HD11 LEU 24 1HD1 LEU 24 -7.377 2.956 -4.848
158 HD12 LEU 24 2HD1 LEU 24 -9.049 2.623 -4.398
159 HD13 LEU 24 3HD1 LEU 24 -8.369 4.230 -4.137
160 HD21 LEU 24 3HD2 LEU 24 -10.771 4.621 -5.840
161 HD22 LEU 24 1HD2 LEU 24 -10.712 2.861 -5.757
162 HD23 LEU 24 2HD2 LEU 24 -10.636 3.672 -7.321
163 H GLN 25 H GLN 25 -6.269 5.915 -8.408
164 HA GLN 25 HA GLN 25 -5.140 3.610 -9.262
165 HB2 GLN 25 1HB GLN 25 -3.695 4.991 -10.758
166 HB3 GLN 25 2HB GLN 25 -5.387 5.469 -10.762
167 HG2 GLN 25 1HG GLN 25 -4.978 7.449 -9.692
168 HG3 GLN 25 2HG GLN 25 -3.516 6.851 -8.910
169 HE21 GLN 25 1HE2 GLN 25 -3.929 9.302 -10.411
170 HE22 GLN 25 2HE2 GLN 25 -2.800 9.267 -11.718
171 H THR 26 H THR 26 -3.757 5.878 -7.014
172 HA THR 26 HA THR 26 -1.126 4.680 -7.100
173 HB THR 26 HB THR 26 -2.282 6.751 -5.224
174 HG1 THR 26 HG1 THR 26 -0.316 7.202 -7.203
175 HG21 THR 26 3HG2 THR 26 0.639 6.468 -5.555
176 HG22 THR 26 1HG2 THR 26 -0.162 5.191 -4.640
177 HG23 THR 26 2HG2 THR 26 -0.307 6.871 -4.121
178 H LEU 27 H LEU 27 -3.859 4.793 -4.839
179 HA LEU 27 HA LEU 27 -2.740 3.351 -2.743
180 HB2 LEU 27 1HB LEU 27 -4.805 4.438 -2.389
181 HB3 LEU 27 2HB LEU 27 -5.567 3.589 -3.733
182 HG LEU 27 HG LEU 27 -5.600 1.531 -2.471
183 HD11 LEU 27 1HD1 LEU 27 -4.339 3.047 -0.194
184 HD12 LEU 27 2HD1 LEU 27 -3.462 1.950 -1.260
185 HD13 LEU 27 3HD1 LEU 27 -4.764 1.335 -0.242
186 HD21 LEU 27 3HD2 LEU 27 -6.780 4.004 -1.348
187 HD22 LEU 27 1HD2 LEU 27 -6.856 2.551 -0.351
188 HD23 LEU 27 2HD2 LEU 27 -7.563 2.549 -1.967
189 H LYS 28 H LYS 28 -4.395 2.202 -5.650
190 HA LYS 28 HA LYS 28 -4.552 -0.506 -5.027
191 HB2 LYS 28 1HB LYS 28 -4.252 0.931 -7.659
192 HB3 LYS 28 2HB LYS 28 -4.436 -0.815 -7.563
193 HG2 LYS 28 1HG LYS 28 -6.611 -0.663 -6.738
194 HG3 LYS 28 2HG LYS 28 -6.411 1.027 -6.268
195 HD2 LYS 28 1HD LYS 28 -6.565 1.780 -8.476
196 HD3 LYS 28 2HD LYS 28 -6.228 0.180 -9.141
197 HE2 LYS 28 1HE LYS 28 -8.379 -0.618 -8.531
198 HE3 LYS 28 2HE LYS 28 -8.700 0.805 -7.541
199 HZ1 LYS 28 3HZ LYS 28 -9.527 1.840 -9.298
200 HZ2 LYS 28 1HZ LYS 28 -9.341 0.427 -10.210
201 HZ3 LYS 28 2HZ LYS 28 -8.111 1.588 -10.189
202 H SER 29 H SER 29 -1.843 1.423 -6.062
203 HA SER 29 HA SER 29 -0.177 -0.879 -6.623
204 HB2 SER 29 1HB SER 29 0.017 1.284 -7.888
205 HB3 SER 29 2HB SER 29 0.651 2.024 -6.418
206 HG SER 29 HG SER 29 1.787 -0.236 -7.706
207 H HIS 30 H HIS 30 -1.075 0.927 -3.905
208 HA HIS 30 HA HIS 30 1.361 0.596 -2.412
209 HB2 HIS 30 1HB HIS 30 0.223 2.415 -1.595
210 HB3 HIS 30 2HB HIS 30 -1.357 1.687 -1.870
211 HD1 HIS 30 HD1 HIS 30 1.602 1.115 0.463
212 HD2 HIS 30 HD2 HIS 30 -2.549 0.928 0.429
213 HE1 HIS 30 HE1 HIS 30 0.936 0.510 2.812
214 H LEU 31 H LEU 31 -1.464 -1.279 -3.026
215 HA LEU 31 HA LEU 31 -1.312 -2.939 -0.707
216 HB2 LEU 31 1HB LEU 31 -2.540 -3.883 -3.252
217 HB3 LEU 31 2HB LEU 31 -3.082 -4.112 -1.591
218 HG LEU 31 HG LEU 31 -3.438 -1.708 -3.359
219 HD11 LEU 31 1HD1 LEU 31 -5.036 -3.921 -2.700
220 HD12 LEU 31 2HD1 LEU 31 -5.507 -2.469 -3.582
221 HD13 LEU 31 3HD1 LEU 31 -5.712 -2.542 -1.832
222 HD21 LEU 31 3HD2 LEU 31 -4.564 -0.753 -1.250
223 HD22 LEU 31 1HD2 LEU 31 -2.807 -0.663 -1.378
224 HD23 LEU 31 2HD2 LEU 31 -3.554 -1.902 -0.370
225 H ARG 32 H ARG 32 0.739 -2.623 -3.258
226 HA ARG 32 HA ARG 32 1.329 -5.352 -3.841
227 HB2 ARG 32 1HB ARG 32 2.571 -2.713 -4.448
228 HB3 ARG 32 2HB ARG 32 3.578 -4.146 -4.603
229 HG2 ARG 32 1HG ARG 32 2.568 -3.541 -6.729
230 HG3 ARG 32 2HG ARG 32 1.986 -5.111 -6.173
231 HD2 ARG 32 1HD ARG 32 -0.107 -4.242 -5.564
232 HD3 ARG 32 2HD ARG 32 0.477 -2.579 -5.610
233 HE ARG 32 HE ARG 32 0.067 -2.533 -7.862
234 HH11 ARG 32 1HH1 ARG 32 0.042 -5.836 -6.762
235 HH12 ARG 32 2HH1 ARG 32 -0.533 -6.471 -8.268
236 HH21 ARG 32 1HH2 ARG 32 -0.690 -3.356 -9.850
237 HH22 ARG 32 2HH2 ARG 32 -0.948 -5.059 -10.024
238 H ILE 33 H ILE 33 2.357 -3.081 -1.415
239 HA ILE 33 HA ILE 33 4.618 -4.679 -0.579
240 HB ILE 33 HB ILE 33 5.086 -3.014 1.009
241 HG12 ILE 33 1HG1 ILE 33 2.277 -1.950 0.635
242 HG13 ILE 33 2HG1 ILE 33 2.807 -2.935 1.994
243 HG21 ILE 33 1HG2 ILE 33 4.571 -2.324 -1.662
244 HG22 ILE 33 2HG2 ILE 33 3.987 -0.979 -0.684
245 HG23 ILE 33 3HG2 ILE 33 5.658 -1.519 -0.530
246 HD11 ILE 33 3HD1 ILE 33 4.541 -1.095 2.393
247 HD12 ILE 33 1HD1 ILE 33 3.544 -0.118 1.316
248 HD13 ILE 33 2HD1 ILE 33 2.860 -0.764 2.808
249 H HIS 34 H HIS 34 1.294 -4.732 -0.064
250 HA HIS 34 HA HIS 34 1.415 -5.788 2.635
251 HB2 HIS 34 1HB HIS 34 -0.821 -5.224 0.702
252 HB3 HIS 34 2HB HIS 34 -1.101 -6.150 2.174
253 HD1 HIS 34 HD1 HIS 34 0.378 -4.612 4.265
254 HD2 HIS 34 HD2 HIS 34 -1.756 -2.748 1.227
255 HE1 HIS 34 HE1 HIS 34 -0.147 -2.310 5.128
256 H THR 35 H THR 35 1.013 -6.952 -0.648
257 HA THR 35 HA THR 35 1.005 -9.713 0.389
258 HB THR 35 HB THR 35 -1.093 -9.380 -0.690
259 HG1 THR 35 HG1 THR 35 0.484 -11.210 -1.409
260 HG21 THR 35 3HG2 THR 35 0.478 -8.222 -2.993
261 HG22 THR 35 1HG2 THR 35 -0.633 -7.358 -1.931
262 HG23 THR 35 2HG2 THR 35 -1.247 -8.586 -3.038
263 H GLY 36 H GLY 36 3.401 -9.306 0.361
264 HA2 GLY 36 1HA GLY 36 4.451 -10.160 -2.245
265 HA3 GLY 36 2HA GLY 36 5.176 -8.764 -1.462
266 H SER 37 H SER 37 5.978 -9.147 0.799
267 HA SER 37 HA SER 37 6.569 -11.800 1.645
268 HB2 SER 37 1HB SER 37 8.187 -11.858 -0.104
269 HB3 SER 37 2HB SER 37 8.738 -10.222 0.256
270 HG SER 37 HG SER 37 10.218 -11.417 1.257
271 H GLY 38 H GLY 38 6.492 -11.609 3.777
272 HA2 GLY 38 1HA GLY 38 8.217 -10.145 5.356
273 HA3 GLY 38 2HA GLY 38 6.823 -9.105 5.105
274 HA PRO 39 HA PRO 39 6.137 -12.662 8.316
275 HB2 PRO 39 1HB PRO 39 7.327 -11.689 10.553
276 HB3 PRO 39 2HB PRO 39 8.152 -12.760 9.414
277 HG2 PRO 39 1HG PRO 39 8.309 -9.781 9.666
278 HG3 PRO 39 2HG PRO 39 9.614 -10.952 9.402
279 HD2 PRO 39 1HD PRO 39 8.550 -9.479 7.395
280 HD3 PRO 39 2HD PRO 39 9.175 -11.122 7.146
281 H SER 40 H SER 40 4.007 -12.105 8.421
282 HA SER 40 HA SER 40 2.922 -9.640 9.075
283 HB2 SER 40 1HB SER 40 1.861 -12.446 9.315
284 HB3 SER 40 2HB SER 40 0.892 -11.062 9.820
285 HG SER 40 HG SER 40 1.834 -11.727 7.249
286 H SER 41 H SER 41 3.545 -12.407 11.221
287 HA SER 41 HA SER 41 3.267 -10.580 13.516
288 HB2 SER 41 1HB SER 41 1.628 -12.492 13.382
289 HB3 SER 41 2HB SER 41 2.994 -13.592 13.571
290 HG SER 41 HG SER 41 1.833 -12.970 15.547
291 H GLY 42 H GLY 42 4.797 -10.655 15.173
292 HA2 GLY 42 1HA GLY 42 6.737 -11.969 16.088
293 HA3 GLY 42 2HA GLY 42 7.316 -12.010 14.429
Start of MODEL 11
1 H1 GLY 1 H GLY 1 10.151 30.331 -6.251
2 HA2 GLY 1 1HA GLY 1 9.460 28.569 -7.671
3 HA3 GLY 1 2HA GLY 1 10.114 27.416 -6.517
4 H SER 2 H SER 2 7.474 27.517 -7.809
5 HA SER 2 HA SER 2 5.572 28.290 -5.811
6 HB2 SER 2 1HB SER 2 3.939 27.101 -7.312
7 HB3 SER 2 2HB SER 2 4.877 28.361 -8.113
8 HG SER 2 HG SER 2 4.834 26.485 -9.377
9 H SER 3 H SER 3 6.115 27.180 -3.932
10 HA SER 3 HA SER 3 6.790 24.590 -3.519
11 HB2 SER 3 1HB SER 3 6.468 26.333 -1.743
12 HB3 SER 3 2HB SER 3 4.732 26.036 -1.836
13 HG SER 3 HG SER 3 6.781 24.322 -0.938
14 H GLY 4 H GLY 4 3.501 25.806 -4.048
15 HA2 GLY 4 1HA GLY 4 2.543 23.647 -5.458
16 HA3 GLY 4 2HA GLY 4 2.268 23.241 -3.770
17 H SER 5 H SER 5 1.415 25.414 -2.570
18 HA SER 5 HA SER 5 -0.483 26.614 -2.180
19 HB2 SER 5 1HB SER 5 0.091 27.341 -5.055
20 HB3 SER 5 2HB SER 5 -1.192 28.106 -4.117
21 HG SER 5 HG SER 5 0.412 29.399 -3.606
22 H SER 6 H SER 6 -0.957 23.926 -2.711
23 HA SER 6 HA SER 6 -3.656 24.086 -3.831
24 HB2 SER 6 1HB SER 6 -3.371 22.067 -5.146
25 HB3 SER 6 2HB SER 6 -2.144 23.239 -5.624
26 HG SER 6 HG SER 6 -1.741 21.111 -3.789
27 H GLY 7 H GLY 7 -5.021 22.250 -3.207
28 HA2 GLY 7 1HA GLY 7 -4.223 21.247 -0.553
29 HA3 GLY 7 2HA GLY 7 -5.880 21.477 -1.093
30 H GLY 8 H GLY 8 -4.059 19.128 -0.131
31 HA2 GLY 8 1HA GLY 8 -5.088 17.240 -2.152
32 HA3 GLY 8 2HA GLY 8 -3.449 17.093 -1.535
33 H GLU 9 H GLU 9 -6.212 15.582 -1.363
34 HA GLU 9 HA GLU 9 -5.855 14.866 1.467
35 HB2 GLU 9 1HB GLU 9 -8.415 15.457 0.006
36 HB3 GLU 9 2HB GLU 9 -8.399 14.411 1.419
37 HG2 GLU 9 1HG GLU 9 -8.982 16.625 2.100
38 HG3 GLU 9 2HG GLU 9 -7.375 16.248 2.717
39 H LYS 10 H LYS 10 -6.513 12.696 2.010
40 HA LYS 10 HA LYS 10 -6.261 10.873 -0.284
41 HB2 LYS 10 1HB LYS 10 -5.734 10.306 2.638
42 HB3 LYS 10 2HB LYS 10 -5.416 9.221 1.291
43 HG2 LYS 10 1HG LYS 10 -3.546 10.344 0.643
44 HG3 LYS 10 2HG LYS 10 -4.132 11.896 1.248
45 HD2 LYS 10 1HD LYS 10 -3.641 11.288 3.502
46 HD3 LYS 10 2HD LYS 10 -3.311 9.616 3.040
47 HE2 LYS 10 1HE LYS 10 -1.376 10.360 1.742
48 HE3 LYS 10 2HE LYS 10 -1.711 12.031 2.193
49 HZ1 LYS 10 3HZ LYS 10 -1.505 10.261 4.447
50 HZ2 LYS 10 1HZ LYS 10 -0.757 11.753 4.172
51 HZ3 LYS 10 2HZ LYS 10 -0.081 10.339 3.537
52 HA PRO 11 HA PRO 11 -10.631 10.400 1.237
53 HB2 PRO 11 1HB PRO 11 -11.747 10.413 -1.238
54 HB3 PRO 11 2HB PRO 11 -11.427 11.890 -0.320
55 HG2 PRO 11 1HG PRO 11 -9.827 10.644 -2.522
56 HG3 PRO 11 2HG PRO 11 -10.230 12.350 -2.261
57 HD2 PRO 11 1HD PRO 11 -7.820 11.306 -1.604
58 HD3 PRO 11 2HD PRO 11 -8.566 12.633 -0.691
59 H TYR 12 H TYR 12 -8.332 8.605 -0.279
60 HA TYR 12 HA TYR 12 -10.141 6.303 -0.615
61 HB2 TYR 12 1HB TYR 12 -7.539 6.899 -2.036
62 HB3 TYR 12 2HB TYR 12 -8.436 5.392 -2.188
63 HD1 TYR 12 HD1 TYR 12 -8.557 9.024 -2.873
64 HD2 TYR 12 HD2 TYR 12 -10.311 5.222 -3.632
65 HE1 TYR 12 HE1 TYR 12 -9.886 10.007 -4.695
66 HE2 TYR 12 HE2 TYR 12 -11.643 6.195 -5.456
67 HH TYR 12 HH TYR 12 -12.389 8.190 -6.330
68 HA PRO 13 HA PRO 13 -7.473 5.289 2.983
69 HB2 PRO 13 1HB PRO 13 -9.391 3.854 4.262
70 HB3 PRO 13 2HB PRO 13 -9.260 5.612 4.391
71 HG2 PRO 13 1HG PRO 13 -11.079 3.970 2.672
72 HG3 PRO 13 2HG PRO 13 -11.445 5.424 3.618
73 HD2 PRO 13 1HD PRO 13 -11.023 5.493 0.944
74 HD3 PRO 13 2HD PRO 13 -10.578 6.837 2.016
75 H CYS 14 H CYS 14 -6.226 3.515 3.127
76 HA CYS 14 HA CYS 14 -6.377 1.455 1.226
77 HB2 CYS 14 1HB CYS 14 -4.254 1.984 2.193
78 HB3 CYS 14 2HB CYS 14 -4.850 1.680 3.821
79 H GLU 15 H GLU 15 -6.557 -0.880 1.692
80 HA GLU 15 HA GLU 15 -8.825 -1.363 3.487
81 HB2 GLU 15 1HB GLU 15 -9.240 -3.368 2.185
82 HB3 GLU 15 2HB GLU 15 -9.098 -1.982 1.113
83 HG2 GLU 15 1HG GLU 15 -7.815 -3.444 -0.037
84 HG3 GLU 15 2HG GLU 15 -6.575 -2.779 1.025
85 H ILE 16 H ILE 16 -5.581 -2.504 2.719
86 HA ILE 16 HA ILE 16 -5.549 -4.685 4.519
87 HB ILE 16 HB ILE 16 -3.234 -3.057 3.463
88 HG12 ILE 16 1HG1 ILE 16 -3.111 -5.360 2.103
89 HG13 ILE 16 2HG1 ILE 16 -4.847 -5.313 2.387
90 HG21 ILE 16 1HG2 ILE 16 -2.380 -4.201 5.309
91 HG22 ILE 16 2HG2 ILE 16 -3.368 -5.627 4.999
92 HG23 ILE 16 3HG2 ILE 16 -2.003 -5.255 3.947
93 HD11 ILE 16 3HD1 ILE 16 -4.140 -2.751 1.509
94 HD12 ILE 16 1HD1 ILE 16 -3.281 -3.886 0.468
95 HD13 ILE 16 2HD1 ILE 16 -5.035 -3.990 0.629
96 H CYS 17 H CYS 17 -3.590 -1.731 4.846
97 HA CYS 17 HA CYS 17 -3.698 -2.016 7.744
98 HB2 CYS 17 1HB CYS 17 -1.983 -0.219 7.738
99 HB3 CYS 17 2HB CYS 17 -1.513 -1.616 6.776
100 H GLY 18 H GLY 18 -4.376 0.469 5.286
101 HA2 GLY 18 1HA GLY 18 -6.652 1.533 5.741
102 HA3 GLY 18 2HA GLY 18 -5.959 1.917 7.309
103 H THR 19 H THR 19 -3.300 2.316 5.860
104 HA THR 19 HA THR 19 -3.159 5.029 5.817
105 HB THR 19 HB THR 19 -1.647 2.991 4.207
106 HG1 THR 19 HG1 THR 19 -1.421 3.570 6.611
107 HG21 THR 19 3HG2 THR 19 -0.049 4.919 3.713
108 HG22 THR 19 1HG2 THR 19 -1.398 5.987 4.095
109 HG23 THR 19 2HG2 THR 19 -1.529 4.846 2.757
110 H ARG 20 H ARG 20 -4.291 6.509 4.759
111 HA ARG 20 HA ARG 20 -5.688 5.886 2.323
112 HB2 ARG 20 1HB ARG 20 -5.397 8.599 3.612
113 HB3 ARG 20 2HB ARG 20 -6.659 8.063 2.511
114 HG2 ARG 20 1HG ARG 20 -7.793 6.939 4.132
115 HG3 ARG 20 2HG ARG 20 -6.336 6.591 5.065
116 HD2 ARG 20 1HD ARG 20 -6.361 8.629 6.121
117 HD3 ARG 20 2HD ARG 20 -7.223 9.421 4.802
118 HE ARG 20 HE ARG 20 -8.968 7.573 5.907
119 HH11 ARG 20 1HH1 ARG 20 -7.269 10.441 6.912
120 HH12 ARG 20 2HH1 ARG 20 -8.471 10.905 8.071
121 HH21 ARG 20 1HH2 ARG 20 -10.557 8.173 7.430
122 HH22 ARG 20 2HH2 ARG 20 -10.340 9.613 8.365
123 H PHE 21 H PHE 21 -5.412 6.905 0.304
124 HA PHE 21 HA PHE 21 -2.781 8.167 -0.098
125 HB2 PHE 21 1HB PHE 21 -4.136 6.025 -1.726
126 HB3 PHE 21 2HB PHE 21 -2.877 7.047 -2.410
127 HD1 PHE 21 HD2 PHE 21 -3.574 4.681 0.360
128 HD2 PHE 21 HD1 PHE 21 -0.630 6.533 -2.093
129 HE1 PHE 21 HE2 PHE 21 -1.859 3.183 1.293
130 HE2 PHE 21 HE1 PHE 21 1.089 5.038 -1.165
131 HZ PHE 21 HZ PHE 21 0.476 3.361 0.532
132 H ARG 22 H ARG 22 -2.758 10.011 -1.242
133 HA ARG 22 HA ARG 22 -4.831 11.667 -1.604
134 HB2 ARG 22 1HB ARG 22 -2.388 11.315 -3.326
135 HB3 ARG 22 2HB ARG 22 -3.554 12.594 -3.638
136 HG2 ARG 22 1HG ARG 22 -2.431 12.308 -0.896
137 HG3 ARG 22 2HG ARG 22 -1.437 13.028 -2.165
138 HD2 ARG 22 1HD ARG 22 -4.208 13.949 -1.412
139 HD3 ARG 22 2HD ARG 22 -2.713 14.695 -0.850
140 HE ARG 22 HE ARG 22 -3.922 14.966 -3.449
141 HH11 ARG 22 1HH1 ARG 22 -0.978 15.205 -1.606
142 HH12 ARG 22 2HH1 ARG 22 -0.223 16.307 -2.708
143 HH21 ARG 22 1HH2 ARG 22 -2.938 16.417 -4.909
144 HH22 ARG 22 2HH2 ARG 22 -1.339 16.997 -4.587
145 H HIS 23 H HIS 23 -3.680 9.500 -4.195
146 HA HIS 23 HA HIS 23 -6.355 9.698 -5.415
147 HB2 HIS 23 1HB HIS 23 -3.619 9.413 -6.614
148 HB3 HIS 23 2HB HIS 23 -5.034 8.848 -7.498
149 HD2 HIS 23 HD2 HIS 23 -4.633 12.274 -5.550
150 HE1 HIS 23 HE1 HIS 23 -5.699 13.033 -9.586
151 HE2 HIS 23 HE2 HIS 23 -5.148 14.057 -7.352
152 H LEU 24 H LEU 24 -7.137 7.762 -6.520
153 HA LEU 24 HA LEU 24 -6.812 5.443 -4.878
154 HB2 LEU 24 1HB LEU 24 -8.967 6.075 -5.864
155 HB3 LEU 24 2HB LEU 24 -8.307 5.792 -7.474
156 HG LEU 24 HG LEU 24 -8.409 3.505 -7.262
157 HD11 LEU 24 1HD1 LEU 24 -8.369 2.269 -5.215
158 HD12 LEU 24 2HD1 LEU 24 -8.564 3.740 -4.263
159 HD13 LEU 24 3HD1 LEU 24 -7.073 3.465 -5.164
160 HD21 LEU 24 3HD2 LEU 24 -10.577 2.923 -6.296
161 HD22 LEU 24 1HD2 LEU 24 -10.669 4.423 -7.220
162 HD23 LEU 24 2HD2 LEU 24 -10.624 4.475 -5.457
163 H GLN 25 H GLN 25 -6.311 5.985 -8.371
164 HA GLN 25 HA GLN 25 -5.246 3.660 -9.188
165 HB2 GLN 25 1HB GLN 25 -3.828 4.917 -10.763
166 HB3 GLN 25 2HB GLN 25 -5.456 5.576 -10.669
167 HG2 GLN 25 1HG GLN 25 -4.751 7.450 -9.461
168 HG3 GLN 25 2HG GLN 25 -3.204 6.711 -9.052
169 HE21 GLN 25 1HE2 GLN 25 -5.012 8.449 -11.413
170 HE22 GLN 25 2HE2 GLN 25 -3.710 8.744 -12.509
171 H THR 26 H THR 26 -3.773 5.872 -6.955
172 HA THR 26 HA THR 26 -1.173 4.616 -7.072
173 HB THR 26 HB THR 26 -2.259 6.650 -5.115
174 HG1 THR 26 HG1 THR 26 -2.081 7.403 -7.295
175 HG21 THR 26 3HG2 THR 26 0.486 5.496 -5.538
176 HG22 THR 26 1HG2 THR 26 -0.439 5.609 -4.041
177 HG23 THR 26 2HG2 THR 26 0.238 7.065 -4.771
178 H LEU 27 H LEU 27 -3.896 4.733 -4.801
179 HA LEU 27 HA LEU 27 -2.824 3.265 -2.715
180 HB2 LEU 27 1HB LEU 27 -4.929 4.340 -2.453
181 HB3 LEU 27 2HB LEU 27 -5.637 3.409 -3.772
182 HG LEU 27 HG LEU 27 -5.633 1.411 -2.432
183 HD11 LEU 27 1HD1 LEU 27 -3.485 2.059 -1.228
184 HD12 LEU 27 2HD1 LEU 27 -4.719 1.228 -0.282
185 HD13 LEU 27 3HD1 LEU 27 -4.514 2.973 -0.126
186 HD21 LEU 27 3HD2 LEU 27 -6.759 3.854 -1.091
187 HD22 LEU 27 1HD2 LEU 27 -7.063 2.222 -0.496
188 HD23 LEU 27 2HD2 LEU 27 -7.589 2.682 -2.116
189 H LYS 28 H LYS 28 -4.598 2.065 -5.555
190 HA LYS 28 HA LYS 28 -4.627 -0.632 -4.979
191 HB2 LYS 28 1HB LYS 28 -4.304 0.742 -7.650
192 HB3 LYS 28 2HB LYS 28 -4.640 -0.975 -7.465
193 HG2 LYS 28 1HG LYS 28 -6.795 -0.624 -6.784
194 HG3 LYS 28 2HG LYS 28 -6.445 0.981 -6.137
195 HD2 LYS 28 1HD LYS 28 -6.646 1.998 -8.181
196 HD3 LYS 28 2HD LYS 28 -6.171 0.549 -9.069
197 HE2 LYS 28 1HE LYS 28 -8.593 1.238 -9.281
198 HE3 LYS 28 2HE LYS 28 -8.302 -0.433 -8.799
199 HZ1 LYS 28 3HZ LYS 28 -8.536 0.483 -6.430
200 HZ2 LYS 28 1HZ LYS 28 -9.941 0.274 -7.349
201 HZ3 LYS 28 2HZ LYS 28 -9.276 1.817 -7.161
202 H SER 29 H SER 29 -1.976 1.356 -6.072
203 HA SER 29 HA SER 29 -0.269 -0.906 -6.657
204 HB2 SER 29 1HB SER 29 -0.123 1.256 -7.915
205 HB3 SER 29 2HB SER 29 0.483 2.019 -6.445
206 HG SER 29 HG SER 29 2.316 0.835 -6.572
207 H HIS 30 H HIS 30 -1.102 0.976 -3.933
208 HA HIS 30 HA HIS 30 1.340 0.623 -2.474
209 HB2 HIS 30 1HB HIS 30 0.203 2.446 -1.654
210 HB3 HIS 30 2HB HIS 30 -1.376 1.700 -1.881
211 HD1 HIS 30 HD1 HIS 30 1.647 1.210 0.386
212 HD2 HIS 30 HD2 HIS 30 -2.497 0.921 0.448
213 HE1 HIS 30 HE1 HIS 30 1.050 0.613 2.755
214 H LEU 31 H LEU 31 -1.507 -1.251 -3.013
215 HA LEU 31 HA LEU 31 -1.315 -2.902 -0.697
216 HB2 LEU 31 1HB LEU 31 -2.564 -3.844 -3.237
217 HB3 LEU 31 2HB LEU 31 -3.075 -4.110 -1.572
218 HG LEU 31 HG LEU 31 -3.482 -1.670 -3.280
219 HD11 LEU 31 1HD1 LEU 31 -5.742 -2.573 -1.781
220 HD12 LEU 31 2HD1 LEU 31 -5.045 -3.927 -2.669
221 HD13 LEU 31 3HD1 LEU 31 -5.534 -2.467 -3.529
222 HD21 LEU 31 3HD2 LEU 31 -2.901 -0.633 -1.300
223 HD22 LEU 31 1HD2 LEU 31 -3.524 -1.949 -0.305
224 HD23 LEU 31 2HD2 LEU 31 -4.641 -0.843 -1.104
225 H ARG 32 H ARG 32 0.726 -2.588 -3.249
226 HA ARG 32 HA ARG 32 1.321 -5.324 -3.816
227 HB2 ARG 32 1HB ARG 32 2.532 -2.684 -4.477
228 HB3 ARG 32 2HB ARG 32 3.549 -4.111 -4.625
229 HG2 ARG 32 1HG ARG 32 2.563 -3.632 -6.752
230 HG3 ARG 32 2HG ARG 32 1.847 -5.114 -6.116
231 HD2 ARG 32 1HD ARG 32 -0.170 -4.053 -5.596
232 HD3 ARG 32 2HD ARG 32 0.551 -2.447 -5.679
233 HE ARG 32 HE ARG 32 0.108 -2.423 -7.916
234 HH11 ARG 32 1HH1 ARG 32 0.054 -5.721 -6.804
235 HH12 ARG 32 2HH1 ARG 32 -0.488 -6.361 -8.320
236 HH21 ARG 32 1HH2 ARG 32 -0.606 -3.252 -9.917
237 HH22 ARG 32 2HH2 ARG 32 -0.862 -4.956 -10.090
238 H ILE 33 H ILE 33 2.450 -2.964 -1.498
239 HA ILE 33 HA ILE 33 4.707 -4.544 -0.654
240 HB ILE 33 HB ILE 33 5.088 -2.868 1.014
241 HG12 ILE 33 1HG1 ILE 33 2.605 -1.366 0.297
242 HG13 ILE 33 2HG1 ILE 33 2.481 -2.716 1.420
243 HG21 ILE 33 1HG2 ILE 33 5.956 -1.843 -0.783
244 HG22 ILE 33 2HG2 ILE 33 4.508 -2.104 -1.754
245 HG23 ILE 33 3HG2 ILE 33 4.578 -0.755 -0.619
246 HD11 ILE 33 3HD1 ILE 33 3.272 -0.052 1.936
247 HD12 ILE 33 1HD1 ILE 33 3.136 -1.400 3.065
248 HD13 ILE 33 2HD1 ILE 33 4.661 -1.098 2.231
249 H HIS 34 H HIS 34 1.393 -4.629 -0.078
250 HA HIS 34 HA HIS 34 1.562 -5.630 2.636
251 HB2 HIS 34 1HB HIS 34 -0.691 -5.150 0.706
252 HB3 HIS 34 2HB HIS 34 -0.950 -6.085 2.175
253 HD1 HIS 34 HD1 HIS 34 0.516 -4.496 4.256
254 HD2 HIS 34 HD2 HIS 34 -1.728 -2.714 1.246
255 HE1 HIS 34 HE1 HIS 34 -0.082 -2.212 5.124
256 H THR 35 H THR 35 0.695 -6.914 -0.563
257 HA THR 35 HA THR 35 1.069 -9.631 0.518
258 HB THR 35 HB THR 35 -1.222 -9.146 -0.334
259 HG1 THR 35 HG1 THR 35 -1.021 -11.006 -1.990
260 HG21 THR 35 3HG2 THR 35 -0.003 -9.108 -3.083
261 HG22 THR 35 1HG2 THR 35 -0.345 -7.626 -2.191
262 HG23 THR 35 2HG2 THR 35 -1.658 -8.725 -2.611
263 H GLY 36 H GLY 36 2.887 -10.589 -0.099
264 HA2 GLY 36 1HA GLY 36 4.162 -11.533 -1.939
265 HA3 GLY 36 2HA GLY 36 3.911 -10.027 -2.809
266 H SER 37 H SER 37 5.658 -11.576 -0.193
267 HA SER 37 HA SER 37 7.641 -9.402 -0.333
268 HB2 SER 37 1HB SER 37 6.339 -9.350 1.798
269 HB3 SER 37 2HB SER 37 6.926 -10.974 2.154
270 HG SER 37 HG SER 37 8.139 -8.630 2.575
271 H GLY 38 H GLY 38 7.036 -12.829 0.263
272 HA2 GLY 38 1HA GLY 38 9.833 -13.356 -0.525
273 HA3 GLY 38 2HA GLY 38 9.087 -14.213 0.816
274 HA PRO 39 HA PRO 39 8.571 -16.841 -2.942
275 HB2 PRO 39 1HB PRO 39 9.147 -19.166 -1.665
276 HB3 PRO 39 2HB PRO 39 10.390 -18.113 -2.350
277 HG2 PRO 39 1HG PRO 39 9.465 -18.354 0.487
278 HG3 PRO 39 2HG PRO 39 11.116 -18.215 -0.143
279 HD2 PRO 39 1HD PRO 39 9.776 -16.110 0.907
280 HD3 PRO 39 2HD PRO 39 10.960 -15.930 -0.404
281 H SER 40 H SER 40 7.044 -16.423 0.025
282 HA SER 40 HA SER 40 4.760 -18.024 -0.880
283 HB2 SER 40 1HB SER 40 5.725 -17.995 1.988
284 HB3 SER 40 2HB SER 40 4.375 -18.922 1.335
285 HG SER 40 HG SER 40 7.007 -19.529 1.374
286 H SER 41 H SER 41 3.140 -16.652 -1.156
287 HA SER 41 HA SER 41 3.005 -14.038 -0.276
288 HB2 SER 41 1HB SER 41 0.542 -14.206 -0.750
289 HB3 SER 41 2HB SER 41 1.570 -14.794 -2.057
290 HG SER 41 HG SER 41 -0.280 -16.156 -1.407
291 H GLY 42 H GLY 42 1.610 -13.010 1.297
292 HA2 GLY 42 1HA GLY 42 0.534 -12.830 3.342
293 HA3 GLY 42 2HA GLY 42 0.497 -14.584 3.440
Start of MODEL 12
1 H1 GLY 1 H GLY 1 13.838 20.528 -3.817
2 HA2 GLY 1 1HA GLY 1 15.137 21.307 -1.956
3 HA3 GLY 1 2HA GLY 1 13.491 21.840 -1.651
4 H SER 2 H SER 2 12.730 21.401 0.299
5 HA SER 2 HA SER 2 13.764 19.026 1.704
6 HB2 SER 2 1HB SER 2 13.799 20.239 3.779
7 HB3 SER 2 2HB SER 2 14.677 21.201 2.590
8 HG SER 2 HG SER 2 12.127 21.632 3.697
9 H SER 3 H SER 3 12.321 17.899 3.012
10 HA SER 3 HA SER 3 9.672 17.760 2.149
11 HB2 SER 3 1HB SER 3 9.304 16.240 4.020
12 HB3 SER 3 2HB SER 3 10.874 15.912 3.287
13 HG SER 3 HG SER 3 11.747 16.334 5.139
14 H GLY 4 H GLY 4 7.787 18.656 2.810
15 HA2 GLY 4 1HA GLY 4 7.764 20.285 5.245
16 HA3 GLY 4 2HA GLY 4 7.388 21.081 3.724
17 H SER 5 H SER 5 5.273 21.513 3.832
18 HA SER 5 HA SER 5 3.458 19.251 4.341
19 HB2 SER 5 1HB SER 5 3.385 22.030 5.464
20 HB3 SER 5 2HB SER 5 1.875 21.155 5.210
21 HG SER 5 HG SER 5 2.477 19.661 6.675
22 H SER 6 H SER 6 3.026 18.835 2.207
23 HA SER 6 HA SER 6 1.212 20.665 0.902
24 HB2 SER 6 1HB SER 6 3.946 20.073 -0.209
25 HB3 SER 6 2HB SER 6 2.600 20.480 -1.272
26 HG SER 6 HG SER 6 4.142 22.125 0.128
27 H GLY 7 H GLY 7 -0.122 19.664 -0.592
28 HA2 GLY 7 1HA GLY 7 -0.043 17.530 -2.107
29 HA3 GLY 7 2HA GLY 7 -0.005 16.736 -0.540
30 H GLY 8 H GLY 8 -2.016 15.931 -1.957
31 HA2 GLY 8 1HA GLY 8 -4.335 17.622 -1.294
32 HA3 GLY 8 2HA GLY 8 -4.320 16.353 -2.509
33 H GLU 9 H GLU 9 -6.338 16.463 -0.657
34 HA GLU 9 HA GLU 9 -5.894 14.938 1.671
35 HB2 GLU 9 1HB GLU 9 -8.392 15.458 0.059
36 HB3 GLU 9 2HB GLU 9 -8.396 14.573 1.579
37 HG2 GLU 9 1HG GLU 9 -7.378 16.577 2.660
38 HG3 GLU 9 2HG GLU 9 -7.613 17.443 1.142
39 H LYS 10 H LYS 10 -6.488 12.766 2.135
40 HA LYS 10 HA LYS 10 -6.224 10.990 -0.196
41 HB2 LYS 10 1HB LYS 10 -5.594 10.504 2.721
42 HB3 LYS 10 2HB LYS 10 -5.467 9.286 1.458
43 HG2 LYS 10 1HG LYS 10 -3.301 9.983 1.575
44 HG3 LYS 10 2HG LYS 10 -3.911 11.078 0.333
45 HD2 LYS 10 1HD LYS 10 -3.989 12.889 1.792
46 HD3 LYS 10 2HD LYS 10 -3.993 11.857 3.225
47 HE2 LYS 10 1HE LYS 10 -1.632 11.144 2.282
48 HE3 LYS 10 2HE LYS 10 -1.724 12.722 1.502
49 HZ1 LYS 10 3HZ LYS 10 -1.643 13.813 3.489
50 HZ2 LYS 10 1HZ LYS 10 -0.710 12.457 3.880
51 HZ3 LYS 10 2HZ LYS 10 -2.328 12.538 4.365
52 HA PRO 11 HA PRO 11 -10.582 10.455 1.349
53 HB2 PRO 11 1HB PRO 11 -11.722 10.543 -1.114
54 HB3 PRO 11 2HB PRO 11 -11.401 11.990 -0.152
55 HG2 PRO 11 1HG PRO 11 -9.816 10.826 -2.409
56 HG3 PRO 11 2HG PRO 11 -10.226 12.521 -2.087
57 HD2 PRO 11 1HD PRO 11 -7.804 11.469 -1.489
58 HD3 PRO 11 2HD PRO 11 -8.548 12.762 -0.526
59 H TYR 12 H TYR 12 -8.284 8.715 -0.210
60 HA TYR 12 HA TYR 12 -10.085 6.416 -0.609
61 HB2 TYR 12 1HB TYR 12 -7.510 7.076 -2.052
62 HB3 TYR 12 2HB TYR 12 -8.395 5.566 -2.234
63 HD1 TYR 12 HD1 TYR 12 -8.546 9.212 -2.823
64 HD2 TYR 12 HD2 TYR 12 -10.307 5.426 -3.640
65 HE1 TYR 12 HE1 TYR 12 -9.912 10.236 -4.594
66 HE2 TYR 12 HE2 TYR 12 -11.677 6.439 -5.413
67 HH TYR 12 HH TYR 12 -12.137 9.708 -5.738
68 HA PRO 13 HA PRO 13 -7.355 5.310 2.915
69 HB2 PRO 13 1HB PRO 13 -9.242 3.819 4.174
70 HB3 PRO 13 2HB PRO 13 -9.124 5.573 4.357
71 HG2 PRO 13 1HG PRO 13 -10.954 3.969 2.613
72 HG3 PRO 13 2HG PRO 13 -11.319 5.390 3.610
73 HD2 PRO 13 1HD PRO 13 -10.936 5.547 0.934
74 HD3 PRO 13 2HD PRO 13 -10.487 6.860 2.042
75 H CYS 14 H CYS 14 -6.252 3.415 3.263
76 HA CYS 14 HA CYS 14 -6.333 1.452 1.207
77 HB2 CYS 14 1HB CYS 14 -4.221 1.962 2.230
78 HB3 CYS 14 2HB CYS 14 -4.841 1.574 3.831
79 H GLU 15 H GLU 15 -6.533 -0.893 1.608
80 HA GLU 15 HA GLU 15 -8.828 -1.409 3.358
81 HB2 GLU 15 1HB GLU 15 -9.294 -2.054 1.128
82 HB3 GLU 15 2HB GLU 15 -7.729 -2.833 0.944
83 HG2 GLU 15 1HG GLU 15 -9.207 -4.604 1.161
84 HG3 GLU 15 2HG GLU 15 -8.520 -4.434 2.775
85 H ILE 16 H ILE 16 -5.573 -2.536 2.623
86 HA ILE 16 HA ILE 16 -5.589 -4.754 4.387
87 HB ILE 16 HB ILE 16 -3.217 -3.159 3.410
88 HG12 ILE 16 1HG1 ILE 16 -3.176 -5.383 1.914
89 HG13 ILE 16 2HG1 ILE 16 -4.913 -5.266 2.173
90 HG21 ILE 16 1HG2 ILE 16 -1.880 -4.607 4.453
91 HG22 ILE 16 2HG2 ILE 16 -3.304 -5.098 5.368
92 HG23 ILE 16 3HG2 ILE 16 -2.833 -5.993 3.924
93 HD11 ILE 16 3HD1 ILE 16 -3.305 -3.874 0.313
94 HD12 ILE 16 1HD1 ILE 16 -5.047 -3.764 0.563
95 HD13 ILE 16 2HD1 ILE 16 -3.959 -2.698 1.452
96 H CYS 17 H CYS 17 -3.578 -1.840 4.751
97 HA CYS 17 HA CYS 17 -3.658 -2.161 7.639
98 HB2 CYS 17 1HB CYS 17 -1.985 -0.320 7.636
99 HB3 CYS 17 2HB CYS 17 -1.500 -1.695 6.648
100 H GLY 18 H GLY 18 -4.435 0.358 5.246
101 HA2 GLY 18 1HA GLY 18 -6.729 1.358 5.775
102 HA3 GLY 18 2HA GLY 18 -6.002 1.737 7.329
103 H THR 19 H THR 19 -3.397 2.204 5.784
104 HA THR 19 HA THR 19 -3.273 4.908 5.798
105 HB THR 19 HB THR 19 -1.886 3.011 3.904
106 HG1 THR 19 HG1 THR 19 -0.427 2.905 5.464
107 HG21 THR 19 3HG2 THR 19 -1.635 4.988 2.730
108 HG22 THR 19 1HG2 THR 19 -0.232 5.032 3.797
109 HG23 THR 19 2HG2 THR 19 -1.666 5.980 4.188
110 H ARG 20 H ARG 20 -3.863 6.600 4.541
111 HA ARG 20 HA ARG 20 -5.605 5.995 2.261
112 HB2 ARG 20 1HB ARG 20 -5.313 8.704 3.525
113 HB3 ARG 20 2HB ARG 20 -6.674 8.050 2.624
114 HG2 ARG 20 1HG ARG 20 -7.293 6.636 4.444
115 HG3 ARG 20 2HG ARG 20 -5.819 7.042 5.325
116 HD2 ARG 20 1HD ARG 20 -7.267 8.460 6.365
117 HD3 ARG 20 2HD ARG 20 -6.764 9.498 5.032
118 HE ARG 20 HE ARG 20 -8.874 9.325 4.129
119 HH11 ARG 20 1HH1 ARG 20 -8.497 7.014 6.705
120 HH12 ARG 20 2HH1 ARG 20 -10.179 6.600 6.755
121 HH21 ARG 20 1HH2 ARG 20 -11.091 8.789 4.186
122 HH22 ARG 20 2HH2 ARG 20 -11.653 7.610 5.322
123 H PHE 21 H PHE 21 -5.379 7.080 0.278
124 HA PHE 21 HA PHE 21 -2.783 8.407 -0.134
125 HB2 PHE 21 1HB PHE 21 -4.126 6.318 -1.849
126 HB3 PHE 21 2HB PHE 21 -2.832 7.350 -2.449
127 HD1 PHE 21 HD2 PHE 21 -3.631 4.917 0.242
128 HD2 PHE 21 HD1 PHE 21 -0.616 6.742 -2.144
129 HE1 PHE 21 HE2 PHE 21 -1.967 3.352 1.155
130 HE2 PHE 21 HE1 PHE 21 1.053 5.179 -1.236
131 HZ PHE 21 HZ PHE 21 0.379 3.482 0.417
132 H ARG 22 H ARG 22 -2.736 10.136 -1.537
133 HA ARG 22 HA ARG 22 -4.889 11.809 -1.726
134 HB2 ARG 22 1HB ARG 22 -3.683 12.975 -3.529
135 HB3 ARG 22 2HB ARG 22 -2.618 12.544 -2.198
136 HG2 ARG 22 1HG ARG 22 -1.664 10.751 -3.435
137 HG3 ARG 22 2HG ARG 22 -2.875 10.911 -4.708
138 HD2 ARG 22 1HD ARG 22 -0.938 11.937 -5.560
139 HD3 ARG 22 2HD ARG 22 -1.985 13.263 -5.054
140 HE ARG 22 HE ARG 22 -0.080 12.414 -3.062
141 HH11 ARG 22 1HH1 ARG 22 -0.694 14.522 -5.764
142 HH12 ARG 22 2HH1 ARG 22 0.517 15.674 -5.308
143 HH21 ARG 22 1HH2 ARG 22 1.517 13.924 -2.451
144 HH22 ARG 22 2HH2 ARG 22 1.775 15.333 -3.423
145 H HIS 23 H HIS 23 -3.870 9.369 -4.079
146 HA HIS 23 HA HIS 23 -6.484 9.677 -5.404
147 HB2 HIS 23 1HB HIS 23 -3.746 9.430 -6.547
148 HB3 HIS 23 2HB HIS 23 -5.059 8.622 -7.399
149 HD2 HIS 23 HD2 HIS 23 -4.782 12.304 -5.932
150 HE1 HIS 23 HE1 HIS 23 -6.317 12.428 -9.885
151 HE2 HIS 23 HE2 HIS 23 -5.584 13.786 -7.895
152 H LEU 24 H LEU 24 -7.183 7.679 -6.576
153 HA LEU 24 HA LEU 24 -6.980 5.431 -4.793
154 HB2 LEU 24 1HB LEU 24 -9.092 6.097 -5.892
155 HB3 LEU 24 2HB LEU 24 -8.391 5.656 -7.447
156 HG LEU 24 HG LEU 24 -9.896 3.924 -6.693
157 HD11 LEU 24 1HD1 LEU 24 -7.634 3.424 -7.820
158 HD12 LEU 24 2HD1 LEU 24 -8.527 2.092 -7.089
159 HD13 LEU 24 3HD1 LEU 24 -7.157 2.806 -6.239
160 HD21 LEU 24 3HD2 LEU 24 -8.623 2.722 -4.534
161 HD22 LEU 24 1HD2 LEU 24 -10.146 3.610 -4.506
162 HD23 LEU 24 2HD2 LEU 24 -8.634 4.443 -4.146
163 H GLN 25 H GLN 25 -6.533 5.683 -8.326
164 HA GLN 25 HA GLN 25 -5.428 3.344 -8.970
165 HB2 GLN 25 1HB GLN 25 -4.022 4.490 -10.638
166 HB3 GLN 25 2HB GLN 25 -5.652 5.146 -10.585
167 HG2 GLN 25 1HG GLN 25 -4.888 7.050 -9.315
168 HG3 GLN 25 2HG GLN 25 -3.261 6.376 -9.235
169 HE21 GLN 25 1HE2 GLN 25 -1.877 7.118 -10.665
170 HE22 GLN 25 2HE2 GLN 25 -2.268 7.833 -12.189
171 H THR 26 H THR 26 -3.722 5.923 -7.260
172 HA THR 26 HA THR 26 -1.194 4.649 -7.206
173 HB THR 26 HB THR 26 -2.316 6.721 -5.309
174 HG1 THR 26 HG1 THR 26 -1.905 8.083 -6.869
175 HG21 THR 26 3HG2 THR 26 0.560 6.698 -5.755
176 HG22 THR 26 1HG2 THR 26 -0.020 5.210 -5.008
177 HG23 THR 26 2HG2 THR 26 -0.347 6.766 -4.244
178 H LEU 27 H LEU 27 -3.865 4.774 -4.872
179 HA LEU 27 HA LEU 27 -2.671 3.391 -2.779
180 HB2 LEU 27 1HB LEU 27 -4.725 4.423 -2.339
181 HB3 LEU 27 2HB LEU 27 -5.514 3.630 -3.701
182 HG LEU 27 HG LEU 27 -5.496 1.512 -2.499
183 HD11 LEU 27 1HD1 LEU 27 -4.780 1.399 -0.170
184 HD12 LEU 27 2HD1 LEU 27 -4.222 3.070 -0.253
185 HD13 LEU 27 3HD1 LEU 27 -3.438 1.829 -1.230
186 HD21 LEU 27 3HD2 LEU 27 -7.479 2.204 -1.779
187 HD22 LEU 27 1HD2 LEU 27 -6.920 3.875 -1.699
188 HD23 LEU 27 2HD2 LEU 27 -6.692 2.802 -0.317
189 H LYS 28 H LYS 28 -4.568 2.114 -5.501
190 HA LYS 28 HA LYS 28 -4.598 -0.563 -4.845
191 HB2 LYS 28 1HB LYS 28 -4.556 0.900 -7.458
192 HB3 LYS 28 2HB LYS 28 -4.457 -0.856 -7.448
193 HG2 LYS 28 1HG LYS 28 -6.578 -1.063 -6.423
194 HG3 LYS 28 2HG LYS 28 -6.642 0.661 -6.051
195 HD2 LYS 28 1HD LYS 28 -7.063 1.249 -8.258
196 HD3 LYS 28 2HD LYS 28 -6.417 -0.267 -8.889
197 HE2 LYS 28 1HE LYS 28 -8.355 -1.429 -7.792
198 HE3 LYS 28 2HE LYS 28 -9.026 0.164 -7.444
199 HZ1 LYS 28 3HZ LYS 28 -8.974 0.615 -9.853
200 HZ2 LYS 28 1HZ LYS 28 -9.989 -0.677 -9.451
201 HZ3 LYS 28 2HZ LYS 28 -8.468 -0.975 -10.129
202 H SER 29 H SER 29 -1.959 1.369 -6.047
203 HA SER 29 HA SER 29 -0.291 -0.911 -6.656
204 HB2 SER 29 1HB SER 29 -0.254 1.455 -7.760
205 HB3 SER 29 2HB SER 29 0.746 1.894 -6.375
206 HG SER 29 HG SER 29 1.504 0.679 -8.585
207 H HIS 30 H HIS 30 -0.992 1.054 -3.929
208 HA HIS 30 HA HIS 30 1.457 0.624 -2.519
209 HB2 HIS 30 1HB HIS 30 0.414 2.466 -1.648
210 HB3 HIS 30 2HB HIS 30 -1.199 1.806 -1.902
211 HD1 HIS 30 HD1 HIS 30 1.757 1.297 0.432
212 HD2 HIS 30 HD2 HIS 30 -2.378 0.891 0.363
213 HE1 HIS 30 HE1 HIS 30 1.104 0.660 2.776
214 H LEU 31 H LEU 31 -1.347 -1.250 -3.087
215 HA LEU 31 HA LEU 31 -1.243 -2.857 -0.732
216 HB2 LEU 31 1HB LEU 31 -2.395 -3.838 -3.303
217 HB3 LEU 31 2HB LEU 31 -2.962 -4.092 -1.654
218 HG LEU 31 HG LEU 31 -3.348 -1.696 -3.423
219 HD11 LEU 31 1HD1 LEU 31 -5.722 -2.119 -2.450
220 HD12 LEU 31 2HD1 LEU 31 -5.085 -3.722 -2.085
221 HD13 LEU 31 3HD1 LEU 31 -5.111 -3.142 -3.750
222 HD21 LEU 31 3HD2 LEU 31 -4.462 -0.696 -1.362
223 HD22 LEU 31 1HD2 LEU 31 -2.699 -0.669 -1.415
224 HD23 LEU 31 2HD2 LEU 31 -3.533 -1.871 -0.430
225 H ARG 32 H ARG 32 0.852 -2.594 -3.269
226 HA ARG 32 HA ARG 32 1.485 -5.315 -3.784
227 HB2 ARG 32 1HB ARG 32 2.732 -2.678 -4.362
228 HB3 ARG 32 2HB ARG 32 3.772 -4.093 -4.436
229 HG2 ARG 32 1HG ARG 32 2.968 -3.706 -6.626
230 HG3 ARG 32 2HG ARG 32 2.106 -5.116 -6.007
231 HD2 ARG 32 1HD ARG 32 0.263 -3.509 -5.328
232 HD3 ARG 32 2HD ARG 32 1.097 -2.298 -6.301
233 HE ARG 32 HE ARG 32 -0.465 -4.516 -7.255
234 HH11 ARG 32 1HH1 ARG 32 2.067 -2.251 -8.019
235 HH12 ARG 32 2HH1 ARG 32 1.835 -2.370 -9.732
236 HH21 ARG 32 1HH2 ARG 32 -0.779 -4.681 -9.509
237 HH22 ARG 32 2HH2 ARG 32 0.215 -3.752 -10.578
238 H ILE 33 H ILE 33 2.766 -2.890 -1.552
239 HA ILE 33 HA ILE 33 4.873 -4.523 -0.556
240 HB ILE 33 HB ILE 33 5.193 -2.868 1.135
241 HG12 ILE 33 1HG1 ILE 33 2.636 -1.487 0.361
242 HG13 ILE 33 2HG1 ILE 33 2.647 -2.744 1.594
243 HG21 ILE 33 1HG2 ILE 33 6.071 -1.950 -0.764
244 HG22 ILE 33 2HG2 ILE 33 4.519 -1.916 -1.598
245 HG23 ILE 33 3HG2 ILE 33 4.879 -0.715 -0.358
246 HD11 ILE 33 3HD1 ILE 33 4.010 -0.075 1.641
247 HD12 ILE 33 1HD1 ILE 33 2.798 -0.715 2.751
248 HD13 ILE 33 2HD1 ILE 33 4.435 -1.374 2.756
249 H HIS 34 H HIS 34 1.541 -4.639 -0.132
250 HA HIS 34 HA HIS 34 1.609 -5.688 2.573
251 HB2 HIS 34 1HB HIS 34 -0.583 -5.159 0.582
252 HB3 HIS 34 2HB HIS 34 -0.888 -6.096 2.041
253 HD1 HIS 34 HD1 HIS 34 0.683 -4.461 4.092
254 HD2 HIS 34 HD2 HIS 34 -1.755 -2.782 1.177
255 HE1 HIS 34 HE1 HIS 34 0.048 -2.193 4.972
256 H THR 35 H THR 35 0.063 -6.989 -0.358
257 HA THR 35 HA THR 35 0.186 -9.665 0.527
258 HB THR 35 HB THR 35 -1.469 -9.049 -1.107
259 HG1 THR 35 HG1 THR 35 -0.801 -10.631 -2.828
260 HG21 THR 35 3HG2 THR 35 -0.892 -8.393 -3.384
261 HG22 THR 35 1HG2 THR 35 0.824 -8.470 -2.986
262 HG23 THR 35 2HG2 THR 35 -0.205 -7.258 -2.222
263 H GLY 36 H GLY 36 2.279 -7.749 -1.577
264 HA2 GLY 36 1HA GLY 36 4.374 -8.156 -2.422
265 HA3 GLY 36 2HA GLY 36 4.602 -9.170 -1.006
266 H SER 37 H SER 37 3.205 -9.179 -4.267
267 HA SER 37 HA SER 37 3.797 -12.063 -4.409
268 HB2 SER 37 1HB SER 37 1.595 -10.432 -5.663
269 HB3 SER 37 2HB SER 37 2.049 -12.013 -6.299
270 HG SER 37 HG SER 37 0.800 -12.778 -4.802
271 H GLY 38 H GLY 38 3.440 -9.213 -6.533
272 HA2 GLY 38 1HA GLY 38 5.580 -10.334 -8.225
273 HA3 GLY 38 2HA GLY 38 4.343 -9.215 -8.779
274 HA PRO 39 HA PRO 39 7.317 -6.008 -8.302
275 HB2 PRO 39 1HB PRO 39 5.626 -3.883 -8.317
276 HB3 PRO 39 2HB PRO 39 6.025 -4.804 -9.772
277 HG2 PRO 39 1HG PRO 39 3.611 -4.995 -8.012
278 HG3 PRO 39 2HG PRO 39 3.709 -5.012 -9.783
279 HD2 PRO 39 1HD PRO 39 3.418 -7.271 -8.319
280 HD3 PRO 39 2HD PRO 39 4.308 -7.237 -9.854
281 H SER 40 H SER 40 8.251 -4.864 -6.675
282 HA SER 40 HA SER 40 8.689 -4.147 -4.561
283 HB2 SER 40 1HB SER 40 5.710 -3.605 -4.504
284 HB3 SER 40 2HB SER 40 6.901 -2.935 -3.389
285 HG SER 40 HG SER 40 7.926 -2.103 -5.408
286 H SER 41 H SER 41 8.522 -6.850 -4.756
287 HA SER 41 HA SER 41 6.727 -7.973 -2.827
288 HB2 SER 41 1HB SER 41 8.949 -8.990 -4.535
289 HB3 SER 41 2HB SER 41 8.502 -9.941 -3.120
290 HG SER 41 HG SER 41 6.680 -9.062 -5.111
291 H GLY 42 H GLY 42 7.615 -9.324 -0.984
292 HA2 GLY 42 1HA GLY 42 9.422 -7.620 0.566
293 HA3 GLY 42 2HA GLY 42 8.364 -8.865 1.213
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -20.076 24.999 -7.690
2 HA2 GLY 1 1HA GLY 1 -22.763 24.233 -6.731
3 HA3 GLY 1 2HA GLY 1 -21.507 23.082 -7.165
4 H SER 2 H SER 2 -23.018 23.418 -4.654
5 HA SER 2 HA SER 2 -20.787 24.021 -2.827
6 HB2 SER 2 1HB SER 2 -23.774 24.095 -2.349
7 HB3 SER 2 2HB SER 2 -22.565 24.302 -1.082
8 HG SER 2 HG SER 2 -22.309 25.905 -3.339
9 H SER 3 H SER 3 -23.592 21.858 -3.203
10 HA SER 3 HA SER 3 -23.128 20.047 -1.218
11 HB2 SER 3 1HB SER 3 -24.289 18.388 -2.584
12 HB3 SER 3 2HB SER 3 -25.060 19.964 -2.766
13 HG SER 3 HG SER 3 -24.124 18.417 -4.670
14 H GLY 4 H GLY 4 -21.642 20.052 -4.445
15 HA2 GLY 4 1HA GLY 4 -20.193 17.706 -4.317
16 HA3 GLY 4 2HA GLY 4 -19.665 19.142 -5.183
17 H SER 5 H SER 5 -17.846 17.412 -4.036
18 HA SER 5 HA SER 5 -16.969 18.752 -1.577
19 HB2 SER 5 1HB SER 5 -15.354 16.823 -1.426
20 HB3 SER 5 2HB SER 5 -17.054 16.362 -1.347
21 HG SER 5 HG SER 5 -15.443 16.278 -3.684
22 H SER 6 H SER 6 -16.011 20.608 -2.313
23 HA SER 6 HA SER 6 -14.323 20.795 -4.556
24 HB2 SER 6 1HB SER 6 -15.470 22.701 -3.313
25 HB3 SER 6 2HB SER 6 -14.170 22.584 -2.128
26 HG SER 6 HG SER 6 -14.026 24.068 -4.121
27 H GLY 7 H GLY 7 -13.452 20.799 -1.091
28 HA2 GLY 7 1HA GLY 7 -10.665 20.453 -1.644
29 HA3 GLY 7 2HA GLY 7 -11.433 20.363 -0.065
30 H GLY 8 H GLY 8 -9.697 18.612 0.031
31 HA2 GLY 8 1HA GLY 8 -10.744 16.139 0.345
32 HA3 GLY 8 2HA GLY 8 -10.313 16.154 -1.359
33 H GLU 9 H GLU 9 -9.241 14.499 0.791
34 HA GLU 9 HA GLU 9 -6.464 14.802 0.167
35 HB2 GLU 9 1HB GLU 9 -5.732 14.969 2.565
36 HB3 GLU 9 2HB GLU 9 -6.469 16.427 1.916
37 HG2 GLU 9 1HG GLU 9 -8.615 15.710 2.982
38 HG3 GLU 9 2HG GLU 9 -7.714 14.418 3.772
39 H LYS 10 H LYS 10 -6.049 12.756 -0.334
40 HA LYS 10 HA LYS 10 -6.022 10.474 -0.289
41 HB2 LYS 10 1HB LYS 10 -5.972 10.742 2.710
42 HB3 LYS 10 2HB LYS 10 -5.200 9.516 1.713
43 HG2 LYS 10 1HG LYS 10 -3.434 10.850 1.188
44 HG3 LYS 10 2HG LYS 10 -4.376 12.338 1.316
45 HD2 LYS 10 1HD LYS 10 -3.121 12.533 3.211
46 HD3 LYS 10 2HD LYS 10 -4.477 11.611 3.865
47 HE2 LYS 10 1HE LYS 10 -2.195 10.105 2.700
48 HE3 LYS 10 2HE LYS 10 -1.956 10.886 4.262
49 HZ1 LYS 10 3HZ LYS 10 -3.498 8.553 3.600
50 HZ2 LYS 10 1HZ LYS 10 -4.348 9.661 4.555
51 HZ3 LYS 10 2HZ LYS 10 -2.867 9.044 5.091
52 HA PRO 11 HA PRO 11 -10.542 10.362 1.123
53 HB2 PRO 11 1HB PRO 11 -11.665 10.333 -1.348
54 HB3 PRO 11 2HB PRO 11 -11.330 11.826 -0.463
55 HG2 PRO 11 1HG PRO 11 -9.748 10.520 -2.643
56 HG3 PRO 11 2HG PRO 11 -10.136 12.236 -2.416
57 HD2 PRO 11 1HD PRO 11 -7.732 11.184 -1.745
58 HD3 PRO 11 2HD PRO 11 -8.463 12.536 -0.858
59 H TYR 12 H TYR 12 -8.262 8.514 -0.350
60 HA TYR 12 HA TYR 12 -10.094 6.224 -0.650
61 HB2 TYR 12 1HB TYR 12 -7.468 6.756 -2.054
62 HB3 TYR 12 2HB TYR 12 -8.388 5.261 -2.188
63 HD1 TYR 12 HD1 TYR 12 -8.457 8.886 -2.931
64 HD2 TYR 12 HD2 TYR 12 -10.234 5.090 -3.663
65 HE1 TYR 12 HE1 TYR 12 -9.750 9.855 -4.785
66 HE2 TYR 12 HE2 TYR 12 -11.531 6.049 -5.520
67 HH TYR 12 HH TYR 12 -11.337 9.504 -6.305
68 HA PRO 13 HA PRO 13 -7.481 5.249 2.997
69 HB2 PRO 13 1HB PRO 13 -9.425 3.846 4.270
70 HB3 PRO 13 2HB PRO 13 -9.287 5.605 4.372
71 HG2 PRO 13 1HG PRO 13 -11.090 3.943 2.654
72 HG3 PRO 13 2HG PRO 13 -11.462 5.415 3.570
73 HD2 PRO 13 1HD PRO 13 -11.000 5.438 0.903
74 HD3 PRO 13 2HD PRO 13 -10.564 6.797 1.959
75 H CYS 14 H CYS 14 -6.250 3.470 3.195
76 HA CYS 14 HA CYS 14 -6.431 1.362 1.328
77 HB2 CYS 14 1HB CYS 14 -4.277 1.903 2.185
78 HB3 CYS 14 2HB CYS 14 -4.815 1.713 3.851
79 H GLU 15 H GLU 15 -6.580 -0.958 1.878
80 HA GLU 15 HA GLU 15 -8.767 -1.392 3.788
81 HB2 GLU 15 1HB GLU 15 -9.171 -3.489 2.542
82 HB3 GLU 15 2HB GLU 15 -9.282 -2.064 1.518
83 HG2 GLU 15 1HG GLU 15 -7.266 -2.527 0.445
84 HG3 GLU 15 2HG GLU 15 -6.747 -3.643 1.707
85 H ILE 16 H ILE 16 -5.579 -2.564 2.851
86 HA ILE 16 HA ILE 16 -5.443 -4.739 4.637
87 HB ILE 16 HB ILE 16 -3.180 -3.067 3.539
88 HG12 ILE 16 1HG1 ILE 16 -3.098 -5.340 2.114
89 HG13 ILE 16 2HG1 ILE 16 -4.826 -5.287 2.443
90 HG21 ILE 16 1HG2 ILE 16 -2.006 -5.379 3.899
91 HG22 ILE 16 2HG2 ILE 16 -2.162 -4.237 5.232
92 HG23 ILE 16 3HG2 ILE 16 -3.273 -5.601 5.105
93 HD11 ILE 16 3HD1 ILE 16 -5.036 -3.931 0.712
94 HD12 ILE 16 1HD1 ILE 16 -4.146 -2.709 1.619
95 HD13 ILE 16 2HD1 ILE 16 -3.286 -3.804 0.536
96 H CYS 17 H CYS 17 -3.559 -1.729 4.925
97 HA CYS 17 HA CYS 17 -3.560 -2.055 7.826
98 HB2 CYS 17 1HB CYS 17 -1.829 -0.308 7.813
99 HB3 CYS 17 2HB CYS 17 -1.410 -1.636 6.737
100 H GLY 18 H GLY 18 -4.346 0.418 5.392
101 HA2 GLY 18 1HA GLY 18 -6.616 1.461 5.958
102 HA3 GLY 18 2HA GLY 18 -5.833 1.884 7.474
103 H THR 19 H THR 19 -3.256 2.368 6.059
104 HA THR 19 HA THR 19 -3.214 5.064 5.869
105 HB THR 19 HB THR 19 -1.648 3.061 4.248
106 HG1 THR 19 HG1 THR 19 -0.347 3.137 5.924
107 HG21 THR 19 3HG2 THR 19 -0.076 5.150 4.020
108 HG22 THR 19 1HG2 THR 19 -1.586 6.047 4.183
109 HG23 THR 19 2HG2 THR 19 -1.385 4.890 2.867
110 H ARG 20 H ARG 20 -4.205 6.542 4.672
111 HA ARG 20 HA ARG 20 -5.677 5.754 2.311
112 HB2 ARG 20 1HB ARG 20 -5.397 8.538 3.439
113 HB3 ARG 20 2HB ARG 20 -6.670 7.923 2.392
114 HG2 ARG 20 1HG ARG 20 -7.768 6.891 4.096
115 HG3 ARG 20 2HG ARG 20 -6.293 6.610 5.024
116 HD2 ARG 20 1HD ARG 20 -7.359 9.380 4.604
117 HD3 ARG 20 2HD ARG 20 -7.987 8.350 5.889
118 HE ARG 20 HE ARG 20 -5.109 8.634 5.831
119 HH11 ARG 20 1HH1 ARG 20 -8.130 9.814 7.098
120 HH12 ARG 20 2HH1 ARG 20 -7.406 10.566 8.481
121 HH21 ARG 20 1HH2 ARG 20 -4.144 9.620 7.647
122 HH22 ARG 20 2HH2 ARG 20 -5.139 10.455 8.792
123 H PHE 21 H PHE 21 -5.606 7.341 0.400
124 HA PHE 21 HA PHE 21 -2.937 8.383 -0.134
125 HB2 PHE 21 1HB PHE 21 -4.254 6.221 -1.784
126 HB3 PHE 21 2HB PHE 21 -2.901 7.191 -2.357
127 HD1 PHE 21 HD2 PHE 21 -3.894 4.956 0.447
128 HD2 PHE 21 HD1 PHE 21 -0.739 6.481 -1.970
129 HE1 PHE 21 HE2 PHE 21 -2.325 3.388 1.512
130 HE2 PHE 21 HE1 PHE 21 0.835 4.915 -0.909
131 HZ PHE 21 HZ PHE 21 0.043 3.367 0.835
132 H ARG 22 H ARG 22 -2.953 10.153 -1.412
133 HA ARG 22 HA ARG 22 -5.093 11.745 -1.785
134 HB2 ARG 22 1HB ARG 22 -2.569 11.425 -3.351
135 HB3 ARG 22 2HB ARG 22 -3.808 12.511 -3.963
136 HG2 ARG 22 1HG ARG 22 -3.766 13.683 -1.763
137 HG3 ARG 22 2HG ARG 22 -2.387 12.676 -1.318
138 HD2 ARG 22 1HD ARG 22 -0.983 13.696 -2.831
139 HD3 ARG 22 2HD ARG 22 -2.308 14.197 -3.881
140 HE ARG 22 HE ARG 22 -2.642 15.592 -1.530
141 HH11 ARG 22 1HH1 ARG 22 -0.176 15.296 -3.969
142 HH12 ARG 22 2HH1 ARG 22 0.417 16.909 -3.751
143 HH21 ARG 22 1HH2 ARG 22 -1.871 17.718 -1.233
144 HH22 ARG 22 2HH2 ARG 22 -0.547 18.286 -2.194
145 H HIS 23 H HIS 23 -3.888 9.517 -4.298
146 HA HIS 23 HA HIS 23 -6.594 9.536 -5.467
147 HB2 HIS 23 1HB HIS 23 -3.885 9.487 -6.760
148 HB3 HIS 23 2HB HIS 23 -5.280 8.813 -7.599
149 HD2 HIS 23 HD2 HIS 23 -5.280 12.214 -5.594
150 HE1 HIS 23 HE1 HIS 23 -6.217 12.966 -9.663
151 HE2 HIS 23 HE2 HIS 23 -5.900 13.980 -7.380
152 H LEU 24 H LEU 24 -7.312 7.553 -6.454
153 HA LEU 24 HA LEU 24 -6.738 5.272 -4.863
154 HB2 LEU 24 1HB LEU 24 -8.925 5.862 -6.005
155 HB3 LEU 24 2HB LEU 24 -8.191 5.272 -7.495
156 HG LEU 24 HG LEU 24 -8.046 3.046 -6.616
157 HD11 LEU 24 1HD1 LEU 24 -8.353 4.413 -4.074
158 HD12 LEU 24 2HD1 LEU 24 -7.672 2.826 -4.433
159 HD13 LEU 24 3HD1 LEU 24 -9.413 3.012 -4.223
160 HD21 LEU 24 3HD2 LEU 24 -10.679 4.437 -6.318
161 HD22 LEU 24 1HD2 LEU 24 -10.531 2.713 -5.980
162 HD23 LEU 24 2HD2 LEU 24 -10.134 3.334 -7.582
163 H GLN 25 H GLN 25 -6.185 5.954 -8.318
164 HA GLN 25 HA GLN 25 -4.980 3.702 -9.181
165 HB2 GLN 25 1HB GLN 25 -3.567 5.121 -10.657
166 HB3 GLN 25 2HB GLN 25 -5.261 5.593 -10.648
167 HG2 GLN 25 1HG GLN 25 -4.855 7.562 -9.567
168 HG3 GLN 25 2HG GLN 25 -3.405 6.953 -8.770
169 HE21 GLN 25 1HE2 GLN 25 -2.425 8.949 -9.437
170 HE22 GLN 25 2HE2 GLN 25 -1.805 9.110 -11.041
171 H THR 26 H THR 26 -3.717 5.909 -6.830
172 HA THR 26 HA THR 26 -1.042 4.789 -6.921
173 HB THR 26 HB THR 26 -2.226 6.772 -4.968
174 HG1 THR 26 HG1 THR 26 -1.881 7.236 -7.406
175 HG21 THR 26 3HG2 THR 26 -0.267 6.784 -3.890
176 HG22 THR 26 1HG2 THR 26 0.645 6.850 -5.397
177 HG23 THR 26 2HG2 THR 26 0.113 5.296 -4.756
178 H LEU 27 H LEU 27 -3.849 4.757 -4.764
179 HA LEU 27 HA LEU 27 -2.725 3.334 -2.642
180 HB2 LEU 27 1HB LEU 27 -4.840 4.392 -2.369
181 HB3 LEU 27 2HB LEU 27 -5.544 3.457 -3.686
182 HG LEU 27 HG LEU 27 -5.517 1.456 -2.350
183 HD11 LEU 27 1HD1 LEU 27 -3.393 1.965 -1.164
184 HD12 LEU 27 2HD1 LEU 27 -4.674 1.366 -0.111
185 HD13 LEU 27 3HD1 LEU 27 -4.286 3.086 -0.136
186 HD21 LEU 27 3HD2 LEU 27 -6.708 2.702 -0.205
187 HD22 LEU 27 1HD2 LEU 27 -7.501 2.258 -1.717
188 HD23 LEU 27 2HD2 LEU 27 -6.869 3.890 -1.500
189 H LYS 28 H LYS 28 -4.456 2.146 -5.509
190 HA LYS 28 HA LYS 28 -4.480 -0.559 -4.941
191 HB2 LYS 28 1HB LYS 28 -4.242 0.913 -7.560
192 HB3 LYS 28 2HB LYS 28 -4.376 -0.839 -7.481
193 HG2 LYS 28 1HG LYS 28 -6.531 -0.675 -6.420
194 HG3 LYS 28 2HG LYS 28 -6.389 1.083 -6.332
195 HD2 LYS 28 1HD LYS 28 -6.368 -0.474 -8.913
196 HD3 LYS 28 2HD LYS 28 -7.823 0.232 -8.205
197 HE2 LYS 28 1HE LYS 28 -6.801 2.450 -8.317
198 HE3 LYS 28 2HE LYS 28 -5.340 1.747 -9.009
199 HZ1 LYS 28 3HZ LYS 28 -6.718 2.676 -10.735
200 HZ2 LYS 28 1HZ LYS 28 -8.040 1.739 -10.246
201 HZ3 LYS 28 2HZ LYS 28 -6.670 0.993 -10.902
202 H SER 29 H SER 29 -1.852 1.442 -6.105
203 HA SER 29 HA SER 29 -0.124 -0.794 -6.673
204 HB2 SER 29 1HB SER 29 0.009 1.393 -7.893
205 HB3 SER 29 2HB SER 29 0.616 2.129 -6.410
206 HG SER 29 HG SER 29 2.385 0.700 -6.505
207 H HIS 30 H HIS 30 -0.969 1.048 -3.923
208 HA HIS 30 HA HIS 30 1.470 0.676 -2.464
209 HB2 HIS 30 1HB HIS 30 0.356 2.477 -1.592
210 HB3 HIS 30 2HB HIS 30 -1.232 1.776 -1.888
211 HD1 HIS 30 HD1 HIS 30 1.703 1.212 0.470
212 HD2 HIS 30 HD2 HIS 30 -2.438 0.891 0.364
213 HE1 HIS 30 HE1 HIS 30 1.020 0.544 2.796
214 H LEU 31 H LEU 31 -1.563 -1.049 -2.788
215 HA LEU 31 HA LEU 31 -1.301 -2.765 -0.576
216 HB2 LEU 31 1HB LEU 31 -2.590 -3.661 -3.117
217 HB3 LEU 31 2HB LEU 31 -3.078 -3.962 -1.450
218 HG LEU 31 HG LEU 31 -3.512 -1.499 -3.114
219 HD11 LEU 31 1HD1 LEU 31 -5.774 -2.219 -1.643
220 HD12 LEU 31 2HD1 LEU 31 -5.096 -3.734 -2.238
221 HD13 LEU 31 3HD1 LEU 31 -5.502 -2.445 -3.371
222 HD21 LEU 31 3HD2 LEU 31 -4.485 -0.515 -1.011
223 HD22 LEU 31 1HD2 LEU 31 -2.724 -0.613 -1.060
224 HD23 LEU 31 2HD2 LEU 31 -3.646 -1.787 -0.120
225 H ARG 32 H ARG 32 0.620 -2.515 -3.280
226 HA ARG 32 HA ARG 32 1.191 -5.194 -3.910
227 HB2 ARG 32 1HB ARG 32 2.627 -2.595 -4.262
228 HB3 ARG 32 2HB ARG 32 3.494 -4.095 -4.567
229 HG2 ARG 32 1HG ARG 32 2.497 -3.084 -6.593
230 HG3 ARG 32 2HG ARG 32 1.932 -4.725 -6.269
231 HD2 ARG 32 1HD ARG 32 0.363 -2.456 -5.162
232 HD3 ARG 32 2HD ARG 32 0.266 -2.763 -6.896
233 HE ARG 32 HE ARG 32 -0.799 -4.406 -4.771
234 HH11 ARG 32 1HH1 ARG 32 0.144 -4.235 -8.118
235 HH12 ARG 32 2HH1 ARG 32 -0.847 -5.571 -8.600
236 HH21 ARG 32 1HH2 ARG 32 -2.109 -6.166 -5.394
237 HH22 ARG 32 2HH2 ARG 32 -2.129 -6.668 -7.051
238 H ILE 33 H ILE 33 2.614 -2.980 -1.544
239 HA ILE 33 HA ILE 33 4.637 -4.788 -0.679
240 HB ILE 33 HB ILE 33 5.107 -3.248 1.066
241 HG12 ILE 33 1HG1 ILE 33 2.482 -1.860 0.505
242 HG13 ILE 33 2HG1 ILE 33 2.703 -3.034 1.798
243 HG21 ILE 33 1HG2 ILE 33 5.958 -2.161 -0.724
244 HG22 ILE 33 2HG2 ILE 33 4.423 -2.161 -1.590
245 HG23 ILE 33 3HG2 ILE 33 4.714 -0.980 -0.314
246 HD11 ILE 33 3HD1 ILE 33 3.488 -0.228 1.647
247 HD12 ILE 33 1HD1 ILE 33 3.163 -1.247 3.049
248 HD13 ILE 33 2HD1 ILE 33 4.744 -1.298 2.269
249 H HIS 34 H HIS 34 1.287 -4.469 -0.007
250 HA HIS 34 HA HIS 34 1.335 -5.744 2.565
251 HB2 HIS 34 1HB HIS 34 -0.836 -4.970 0.637
252 HB3 HIS 34 2HB HIS 34 -1.196 -5.978 2.035
253 HD1 HIS 34 HD1 HIS 34 0.404 -4.621 4.214
254 HD2 HIS 34 HD2 HIS 34 -1.763 -2.529 1.352
255 HE1 HIS 34 HE1 HIS 34 -0.056 -2.368 5.233
256 H THR 35 H THR 35 0.612 -6.753 -0.751
257 HA THR 35 HA THR 35 0.851 -9.550 0.141
258 HB THR 35 HB THR 35 -1.510 -8.982 -0.401
259 HG1 THR 35 HG1 THR 35 -0.048 -10.874 -1.906
260 HG21 THR 35 3HG2 THR 35 -0.598 -8.726 -3.258
261 HG22 THR 35 1HG2 THR 35 -0.853 -7.327 -2.217
262 HG23 THR 35 2HG2 THR 35 -2.198 -8.406 -2.590
263 H GLY 36 H GLY 36 2.576 -10.477 -0.738
264 HA2 GLY 36 1HA GLY 36 3.086 -10.665 -3.467
265 HA3 GLY 36 2HA GLY 36 4.050 -9.325 -2.865
266 H SER 37 H SER 37 3.556 -12.776 -2.787
267 HA SER 37 HA SER 37 5.978 -13.124 -1.170
268 HB2 SER 37 1HB SER 37 3.775 -14.354 -0.663
269 HB3 SER 37 2HB SER 37 4.146 -15.339 -2.078
270 HG SER 37 HG SER 37 5.489 -15.168 0.380
271 H GLY 38 H GLY 38 7.850 -13.629 -2.096
272 HA2 GLY 38 1HA GLY 38 9.124 -15.059 -3.572
273 HA3 GLY 38 2HA GLY 38 7.803 -14.960 -4.727
274 HA PRO 39 HA PRO 39 11.177 -11.572 -5.272
275 HB2 PRO 39 1HB PRO 39 12.890 -12.820 -6.969
276 HB3 PRO 39 2HB PRO 39 13.089 -12.843 -5.213
277 HG2 PRO 39 1HG PRO 39 11.916 -14.927 -7.014
278 HG3 PRO 39 2HG PRO 39 13.025 -15.128 -5.644
279 HD2 PRO 39 1HD PRO 39 10.364 -15.585 -5.444
280 HD3 PRO 39 2HD PRO 39 11.331 -14.970 -4.089
281 H SER 40 H SER 40 9.546 -10.532 -6.441
282 HA SER 40 HA SER 40 9.048 -11.425 -9.182
283 HB2 SER 40 1HB SER 40 7.700 -9.243 -7.573
284 HB3 SER 40 2HB SER 40 7.207 -9.796 -9.173
285 HG SER 40 HG SER 40 6.239 -10.710 -7.048
286 H SER 41 H SER 41 9.744 -8.351 -7.509
287 HA SER 41 HA SER 41 11.542 -7.616 -9.692
288 HB2 SER 41 1HB SER 41 9.211 -6.693 -10.139
289 HB3 SER 41 2HB SER 41 9.442 -5.677 -8.717
290 HG SER 41 HG SER 41 10.358 -4.379 -10.096
291 H GLY 42 H GLY 42 13.395 -7.380 -8.608
292 HA2 GLY 42 1HA GLY 42 14.257 -5.322 -7.189
293 HA3 GLY 42 2HA GLY 42 13.380 -6.192 -5.939
Start of MODEL 14
1 H1 GLY 1 H GLY 1 3.548 14.933 16.656
2 HA2 GLY 1 1HA GLY 1 2.234 16.801 15.521
3 HA3 GLY 1 2HA GLY 1 3.842 16.517 14.871
4 H SER 2 H SER 2 3.132 17.386 12.863
5 HA SER 2 HA SER 2 1.843 15.377 11.188
6 HB2 SER 2 1HB SER 2 0.910 18.257 11.242
7 HB3 SER 2 2HB SER 2 0.307 16.986 10.179
8 HG SER 2 HG SER 2 -0.283 17.509 12.809
9 H SER 3 H SER 3 3.316 15.007 9.674
10 HA SER 3 HA SER 3 4.656 17.320 8.434
11 HB2 SER 3 1HB SER 3 5.789 14.693 9.336
12 HB3 SER 3 2HB SER 3 6.529 15.546 7.982
13 HG SER 3 HG SER 3 6.309 17.404 9.677
14 H GLY 4 H GLY 4 4.016 17.560 6.403
15 HA2 GLY 4 1HA GLY 4 4.304 15.765 4.354
16 HA3 GLY 4 2HA GLY 4 2.687 15.461 4.970
17 H SER 5 H SER 5 4.746 18.209 4.011
18 HA SER 5 HA SER 5 2.772 20.077 3.554
19 HB2 SER 5 1HB SER 5 5.384 19.656 2.089
20 HB3 SER 5 2HB SER 5 4.371 21.085 1.890
21 HG SER 5 HG SER 5 4.576 21.044 4.378
22 H SER 6 H SER 6 4.270 18.043 1.032
23 HA SER 6 HA SER 6 2.492 18.708 -1.011
24 HB2 SER 6 1HB SER 6 4.305 16.367 -0.523
25 HB3 SER 6 2HB SER 6 3.205 16.351 -1.901
26 HG SER 6 HG SER 6 4.453 17.726 -2.877
27 H GLY 7 H GLY 7 2.425 15.943 1.231
28 HA2 GLY 7 1HA GLY 7 0.220 14.595 0.291
29 HA3 GLY 7 2HA GLY 7 0.657 14.684 1.991
30 H GLY 8 H GLY 8 -1.696 15.402 -0.273
31 HA2 GLY 8 1HA GLY 8 -2.840 17.594 1.304
32 HA3 GLY 8 2HA GLY 8 -3.371 17.085 -0.292
33 H GLU 9 H GLU 9 -5.206 15.978 -0.383
34 HA GLU 9 HA GLU 9 -6.211 14.764 2.099
35 HB2 GLU 9 1HB GLU 9 -7.563 16.000 -0.272
36 HB3 GLU 9 2HB GLU 9 -8.425 14.821 0.707
37 HG2 GLU 9 1HG GLU 9 -9.039 16.900 1.574
38 HG3 GLU 9 2HG GLU 9 -7.841 16.270 2.704
39 H LYS 10 H LYS 10 -6.660 12.639 2.207
40 HA LYS 10 HA LYS 10 -6.324 11.057 -0.258
41 HB2 LYS 10 1HB LYS 10 -5.633 10.318 2.591
42 HB3 LYS 10 2HB LYS 10 -5.545 9.214 1.225
43 HG2 LYS 10 1HG LYS 10 -3.375 9.874 1.316
44 HG3 LYS 10 2HG LYS 10 -4.007 11.120 0.237
45 HD2 LYS 10 1HD LYS 10 -4.324 12.592 2.213
46 HD3 LYS 10 2HD LYS 10 -3.551 11.358 3.211
47 HE2 LYS 10 1HE LYS 10 -2.181 12.450 0.781
48 HE3 LYS 10 2HE LYS 10 -2.129 13.322 2.312
49 HZ1 LYS 10 3HZ LYS 10 -0.689 10.993 1.508
50 HZ2 LYS 10 1HZ LYS 10 -1.501 10.747 2.971
51 HZ3 LYS 10 2HZ LYS 10 -0.411 12.030 2.815
52 HA PRO 11 HA PRO 11 -10.663 10.413 1.210
53 HB2 PRO 11 1HB PRO 11 -11.742 10.433 -1.281
54 HB3 PRO 11 2HB PRO 11 -11.456 11.906 -0.346
55 HG2 PRO 11 1HG PRO 11 -9.807 10.702 -2.535
56 HG3 PRO 11 2HG PRO 11 -10.238 12.400 -2.264
57 HD2 PRO 11 1HD PRO 11 -7.823 11.384 -1.582
58 HD3 PRO 11 2HD PRO 11 -8.601 12.692 -0.668
59 H TYR 12 H TYR 12 -8.316 8.664 -0.287
60 HA TYR 12 HA TYR 12 -10.088 6.339 -0.668
61 HB2 TYR 12 1HB TYR 12 -7.488 7.007 -2.060
62 HB3 TYR 12 2HB TYR 12 -8.328 5.468 -2.218
63 HD1 TYR 12 HD1 TYR 12 -8.593 9.097 -2.893
64 HD2 TYR 12 HD2 TYR 12 -10.167 5.226 -3.693
65 HE1 TYR 12 HE1 TYR 12 -9.942 10.031 -4.727
66 HE2 TYR 12 HE2 TYR 12 -11.518 6.148 -5.529
67 HH TYR 12 HH TYR 12 -11.464 8.117 -7.047
68 HA PRO 13 HA PRO 13 -7.453 5.326 2.953
69 HB2 PRO 13 1HB PRO 13 -9.361 3.836 4.182
70 HB3 PRO 13 2HB PRO 13 -9.268 5.594 4.336
71 HG2 PRO 13 1HG PRO 13 -11.026 3.938 2.568
72 HG3 PRO 13 2HG PRO 13 -11.437 5.372 3.527
73 HD2 PRO 13 1HD PRO 13 -10.974 5.485 0.861
74 HD3 PRO 13 2HD PRO 13 -10.574 6.823 1.957
75 H CYS 14 H CYS 14 -6.285 3.489 3.291
76 HA CYS 14 HA CYS 14 -6.341 1.464 1.297
77 HB2 CYS 14 1HB CYS 14 -4.225 2.008 2.244
78 HB3 CYS 14 2HB CYS 14 -4.815 1.754 3.884
79 H GLU 15 H GLU 15 -6.478 -0.873 1.769
80 HA GLU 15 HA GLU 15 -8.724 -1.394 3.586
81 HB2 GLU 15 1HB GLU 15 -9.344 -2.124 1.461
82 HB3 GLU 15 2HB GLU 15 -7.733 -2.719 1.087
83 HG2 GLU 15 1HG GLU 15 -8.053 -4.697 2.179
84 HG3 GLU 15 2HG GLU 15 -9.239 -4.018 3.292
85 H ILE 16 H ILE 16 -5.486 -2.495 2.738
86 HA ILE 16 HA ILE 16 -5.398 -4.704 4.499
87 HB ILE 16 HB ILE 16 -3.110 -3.032 3.453
88 HG12 ILE 16 1HG1 ILE 16 -2.994 -5.271 2.000
89 HG13 ILE 16 2HG1 ILE 16 -4.725 -5.265 2.322
90 HG21 ILE 16 1HG2 ILE 16 -2.060 -5.473 3.816
91 HG22 ILE 16 2HG2 ILE 16 -2.012 -4.206 5.042
92 HG23 ILE 16 3HG2 ILE 16 -3.246 -5.464 5.121
93 HD11 ILE 16 3HD1 ILE 16 -5.020 -3.812 0.690
94 HD12 ILE 16 1HD1 ILE 16 -3.975 -2.655 1.515
95 HD13 ILE 16 2HD1 ILE 16 -3.285 -3.810 0.375
96 H CYS 17 H CYS 17 -3.494 -1.714 4.843
97 HA CYS 17 HA CYS 17 -3.508 -2.066 7.733
98 HB2 CYS 17 1HB CYS 17 -1.871 -0.192 7.715
99 HB3 CYS 17 2HB CYS 17 -1.372 -1.555 6.718
100 H GLY 18 H GLY 18 -4.384 0.432 5.354
101 HA2 GLY 18 1HA GLY 18 -6.682 1.391 5.921
102 HA3 GLY 18 2HA GLY 18 -5.941 1.779 7.467
103 H THR 19 H THR 19 -3.366 2.305 5.894
104 HA THR 19 HA THR 19 -3.338 5.025 5.902
105 HB THR 19 HB THR 19 -1.832 3.130 4.103
106 HG1 THR 19 HG1 THR 19 -1.589 3.918 6.647
107 HG21 THR 19 3HG2 THR 19 -1.608 5.029 2.825
108 HG22 THR 19 1HG2 THR 19 -0.278 5.252 3.960
109 HG23 THR 19 2HG2 THR 19 -1.798 6.111 4.204
110 H ARG 20 H ARG 20 -4.007 6.668 4.633
111 HA ARG 20 HA ARG 20 -5.669 5.971 2.325
112 HB2 ARG 20 1HB ARG 20 -5.436 8.658 3.681
113 HB3 ARG 20 2HB ARG 20 -6.688 8.126 2.567
114 HG2 ARG 20 1HG ARG 20 -7.792 6.926 4.154
115 HG3 ARG 20 2HG ARG 20 -6.325 6.585 5.074
116 HD2 ARG 20 1HD ARG 20 -6.341 8.674 6.106
117 HD3 ARG 20 2HD ARG 20 -7.409 9.371 4.888
118 HE ARG 20 HE ARG 20 -8.574 7.249 6.465
119 HH11 ARG 20 1HH1 ARG 20 -8.050 10.675 6.139
120 HH12 ARG 20 2HH1 ARG 20 -9.397 11.109 7.137
121 HH21 ARG 20 1HH2 ARG 20 -10.352 7.807 7.782
122 HH22 ARG 20 2HH2 ARG 20 -10.706 9.477 8.072
123 H PHE 21 H PHE 21 -5.392 6.909 0.304
124 HA PHE 21 HA PHE 21 -2.835 8.315 -0.103
125 HB2 PHE 21 1HB PHE 21 -4.128 6.176 -1.795
126 HB3 PHE 21 2HB PHE 21 -2.824 7.202 -2.384
127 HD1 PHE 21 HD2 PHE 21 -3.660 4.885 0.406
128 HD2 PHE 21 HD1 PHE 21 -0.634 6.542 -2.086
129 HE1 PHE 21 HE2 PHE 21 -2.012 3.346 1.390
130 HE2 PHE 21 HE1 PHE 21 1.019 5.004 -1.107
131 HZ PHE 21 HZ PHE 21 0.331 3.404 0.634
132 H ARG 22 H ARG 22 -2.813 10.047 -1.479
133 HA ARG 22 HA ARG 22 -4.949 11.692 -1.745
134 HB2 ARG 22 1HB ARG 22 -2.640 12.337 -2.298
135 HB3 ARG 22 2HB ARG 22 -2.726 11.380 -3.771
136 HG2 ARG 22 1HG ARG 22 -3.177 13.433 -4.629
137 HG3 ARG 22 2HG ARG 22 -4.819 12.924 -4.228
138 HD2 ARG 22 1HD ARG 22 -4.701 15.074 -3.354
139 HD3 ARG 22 2HD ARG 22 -4.378 14.051 -1.954
140 HE ARG 22 HE ARG 22 -2.210 14.837 -1.902
141 HH11 ARG 22 1HH1 ARG 22 -3.800 15.894 -4.813
142 HH12 ARG 22 2HH1 ARG 22 -2.555 17.022 -5.238
143 HH21 ARG 22 1HH2 ARG 22 -0.565 16.319 -2.451
144 HH22 ARG 22 2HH2 ARG 22 -0.716 17.262 -3.894
145 H HIS 23 H HIS 23 -3.859 9.422 -4.269
146 HA HIS 23 HA HIS 23 -6.582 9.523 -5.393
147 HB2 HIS 23 1HB HIS 23 -3.903 9.516 -6.704
148 HB3 HIS 23 2HB HIS 23 -5.223 8.680 -7.516
149 HD2 HIS 23 HD2 HIS 23 -6.381 11.860 -5.724
150 HE1 HIS 23 HE1 HIS 23 -5.854 12.851 -9.815
151 HE2 HIS 23 HE2 HIS 23 -6.679 13.644 -7.572
152 H LEU 24 H LEU 24 -7.267 7.535 -6.514
153 HA LEU 24 HA LEU 24 -6.779 5.247 -4.871
154 HB2 LEU 24 1HB LEU 24 -8.970 5.820 -5.918
155 HB3 LEU 24 2HB LEU 24 -8.279 5.388 -7.481
156 HG LEU 24 HG LEU 24 -8.248 3.117 -6.979
157 HD11 LEU 24 1HD1 LEU 24 -8.192 4.035 -4.152
158 HD12 LEU 24 2HD1 LEU 24 -7.212 2.817 -4.967
159 HD13 LEU 24 3HD1 LEU 24 -8.874 2.448 -4.510
160 HD21 LEU 24 3HD2 LEU 24 -10.672 4.342 -5.676
161 HD22 LEU 24 1HD2 LEU 24 -10.506 2.619 -6.013
162 HD23 LEU 24 2HD2 LEU 24 -10.507 3.781 -7.341
163 H GLN 25 H GLN 25 -6.306 5.842 -8.358
164 HA GLN 25 HA GLN 25 -5.136 3.589 -9.213
165 HB2 GLN 25 1HB GLN 25 -3.703 4.967 -10.709
166 HB3 GLN 25 2HB GLN 25 -5.385 5.478 -10.685
167 HG2 GLN 25 1HG GLN 25 -4.917 7.407 -9.485
168 HG3 GLN 25 2HG GLN 25 -3.369 6.788 -8.909
169 HE21 GLN 25 1HE2 GLN 25 -3.664 9.300 -10.055
170 HE22 GLN 25 2HE2 GLN 25 -2.815 9.330 -11.559
171 H THR 26 H THR 26 -3.663 5.930 -7.061
172 HA THR 26 HA THR 26 -1.069 4.686 -7.122
173 HB THR 26 HB THR 26 -2.166 6.725 -5.176
174 HG1 THR 26 HG1 THR 26 -0.366 7.297 -7.270
175 HG21 THR 26 3HG2 THR 26 0.593 7.011 -5.427
176 HG22 THR 26 1HG2 THR 26 0.334 5.272 -5.304
177 HG23 THR 26 2HG2 THR 26 -0.278 6.345 -4.046
178 H LEU 27 H LEU 27 -3.818 4.763 -4.891
179 HA LEU 27 HA LEU 27 -2.698 3.358 -2.767
180 HB2 LEU 27 1HB LEU 27 -4.797 4.414 -2.470
181 HB3 LEU 27 2HB LEU 27 -5.518 3.509 -3.799
182 HG LEU 27 HG LEU 27 -5.486 1.479 -2.479
183 HD11 LEU 27 1HD1 LEU 27 -4.669 1.362 -0.254
184 HD12 LEU 27 2HD1 LEU 27 -4.376 3.100 -0.200
185 HD13 LEU 27 3HD1 LEU 27 -3.387 2.071 -1.236
186 HD21 LEU 27 3HD2 LEU 27 -6.919 2.348 -0.508
187 HD22 LEU 27 1HD2 LEU 27 -7.486 2.607 -2.158
188 HD23 LEU 27 2HD2 LEU 27 -6.719 3.926 -1.272
189 H LYS 28 H LYS 28 -4.544 2.094 -5.537
190 HA LYS 28 HA LYS 28 -4.562 -0.582 -4.941
191 HB2 LYS 28 1HB LYS 28 -4.243 0.792 -7.609
192 HB3 LYS 28 2HB LYS 28 -4.486 -0.943 -7.451
193 HG2 LYS 28 1HG LYS 28 -6.624 -0.541 -6.334
194 HG3 LYS 28 2HG LYS 28 -6.380 1.199 -6.504
195 HD2 LYS 28 1HD LYS 28 -6.368 -0.646 -8.876
196 HD3 LYS 28 2HD LYS 28 -7.863 0.039 -8.235
197 HE2 LYS 28 1HE LYS 28 -7.360 1.637 -9.778
198 HE3 LYS 28 2HE LYS 28 -6.469 2.285 -8.402
199 HZ1 LYS 28 3HZ LYS 28 -5.316 2.048 -10.696
200 HZ2 LYS 28 1HZ LYS 28 -5.128 0.428 -10.245
201 HZ3 LYS 28 2HZ LYS 28 -4.464 1.655 -9.288
202 H SER 29 H SER 29 -1.893 1.355 -6.113
203 HA SER 29 HA SER 29 -0.194 -0.908 -6.642
204 HB2 SER 29 1HB SER 29 0.060 1.194 -7.906
205 HB3 SER 29 2HB SER 29 0.495 2.033 -6.417
206 HG SER 29 HG SER 29 2.242 1.175 -7.876
207 H HIS 30 H HIS 30 -0.940 1.103 -3.937
208 HA HIS 30 HA HIS 30 1.434 0.638 -2.438
209 HB2 HIS 30 1HB HIS 30 0.321 2.473 -1.616
210 HB3 HIS 30 2HB HIS 30 -1.269 1.760 -1.875
211 HD1 HIS 30 HD1 HIS 30 1.706 1.173 0.433
212 HD2 HIS 30 HD2 HIS 30 -2.445 1.002 0.433
213 HE1 HIS 30 HE1 HIS 30 1.058 0.572 2.787
214 H LEU 31 H LEU 31 -1.425 -1.193 -3.033
215 HA LEU 31 HA LEU 31 -1.304 -2.856 -0.722
216 HB2 LEU 31 1HB LEU 31 -2.502 -3.775 -3.295
217 HB3 LEU 31 2HB LEU 31 -3.056 -4.042 -1.643
218 HG LEU 31 HG LEU 31 -3.418 -1.614 -3.373
219 HD11 LEU 31 1HD1 LEU 31 -5.474 -2.405 -3.605
220 HD12 LEU 31 2HD1 LEU 31 -5.690 -2.431 -1.856
221 HD13 LEU 31 3HD1 LEU 31 -5.013 -3.835 -2.681
222 HD21 LEU 31 3HD2 LEU 31 -2.726 -0.643 -1.344
223 HD22 LEU 31 1HD2 LEU 31 -3.602 -1.834 -0.381
224 HD23 LEU 31 2HD2 LEU 31 -4.490 -0.616 -1.297
225 H ARG 32 H ARG 32 0.785 -2.562 -3.246
226 HA ARG 32 HA ARG 32 1.365 -5.278 -3.849
227 HB2 ARG 32 1HB ARG 32 2.741 -2.661 -4.295
228 HB3 ARG 32 2HB ARG 32 3.646 -4.149 -4.534
229 HG2 ARG 32 1HG ARG 32 2.560 -3.152 -6.580
230 HG3 ARG 32 2HG ARG 32 2.225 -4.857 -6.270
231 HD2 ARG 32 1HD ARG 32 0.058 -4.371 -5.439
232 HD3 ARG 32 2HD ARG 32 0.401 -2.643 -5.368
233 HE ARG 32 HE ARG 32 0.678 -3.128 -7.976
234 HH11 ARG 32 1HH1 ARG 32 -1.799 -4.078 -5.722
235 HH12 ARG 32 2HH1 ARG 32 -3.056 -4.102 -6.913
236 HH21 ARG 32 1HH2 ARG 32 -0.969 -3.156 -9.554
237 HH22 ARG 32 2HH2 ARG 32 -2.584 -3.578 -9.092
238 H ILE 33 H ILE 33 2.590 -2.979 -1.479
239 HA ILE 33 HA ILE 33 4.691 -4.693 -0.552
240 HB ILE 33 HB ILE 33 5.101 -3.077 1.143
241 HG12 ILE 33 1HG1 ILE 33 2.510 -1.688 0.462
242 HG13 ILE 33 2HG1 ILE 33 2.631 -2.879 1.752
243 HG21 ILE 33 1HG2 ILE 33 4.458 -2.113 -1.573
244 HG22 ILE 33 2HG2 ILE 33 4.714 -0.878 -0.342
245 HG23 ILE 33 3HG2 ILE 33 5.977 -2.062 -0.678
246 HD11 ILE 33 3HD1 ILE 33 2.849 -0.329 2.254
247 HD12 ILE 33 1HD1 ILE 33 3.866 -1.500 3.092
248 HD13 ILE 33 2HD1 ILE 33 4.516 -0.579 1.735
249 H HIS 34 H HIS 34 1.348 -4.630 -0.095
250 HA HIS 34 HA HIS 34 1.386 -5.751 2.579
251 HB2 HIS 34 1HB HIS 34 -0.786 -5.046 0.624
252 HB3 HIS 34 2HB HIS 34 -1.137 -6.022 2.048
253 HD1 HIS 34 HD1 HIS 34 0.335 -4.630 4.240
254 HD2 HIS 34 HD2 HIS 34 -1.638 -2.558 1.228
255 HE1 HIS 34 HE1 HIS 34 -0.127 -2.347 5.187
256 H THR 35 H THR 35 0.503 -6.832 -0.690
257 HA THR 35 HA THR 35 0.627 -9.612 0.274
258 HB THR 35 HB THR 35 -1.546 -8.989 -0.688
259 HG1 THR 35 HG1 THR 35 0.110 -10.922 -1.843
260 HG21 THR 35 3HG2 THR 35 -0.663 -7.270 -2.261
261 HG22 THR 35 1HG2 THR 35 -1.789 -8.400 -3.011
262 HG23 THR 35 2HG2 THR 35 -0.055 -8.574 -3.280
263 H GLY 36 H GLY 36 2.961 -8.043 -0.414
264 HA2 GLY 36 1HA GLY 36 3.848 -9.472 -2.844
265 HA3 GLY 36 2HA GLY 36 4.474 -7.908 -2.345
266 H SER 37 H SER 37 4.274 -11.307 -1.363
267 HA SER 37 HA SER 37 6.110 -11.236 0.728
268 HB2 SER 37 1HB SER 37 5.108 -13.358 -1.113
269 HB3 SER 37 2HB SER 37 6.534 -13.717 -0.140
270 HG SER 37 HG SER 37 4.748 -12.556 1.436
271 H GLY 38 H GLY 38 8.328 -11.732 0.858
272 HA2 GLY 38 1HA GLY 38 9.866 -10.713 -1.364
273 HA3 GLY 38 2HA GLY 38 10.491 -11.201 0.205
274 HA PRO 39 HA PRO 39 11.122 -14.466 -3.252
275 HB2 PRO 39 1HB PRO 39 13.636 -13.824 -4.050
276 HB3 PRO 39 2HB PRO 39 12.187 -13.174 -4.825
277 HG2 PRO 39 1HG PRO 39 13.967 -11.912 -2.775
278 HG3 PRO 39 2HG PRO 39 13.252 -11.194 -4.231
279 HD2 PRO 39 1HD PRO 39 12.218 -10.810 -1.758
280 HD3 PRO 39 2HD PRO 39 11.208 -10.865 -3.217
281 H SER 40 H SER 40 12.510 -13.343 -0.403
282 HA SER 40 HA SER 40 14.763 -14.722 0.130
283 HB2 SER 40 1HB SER 40 13.120 -13.348 1.694
284 HB3 SER 40 2HB SER 40 12.599 -14.962 2.177
285 HG SER 40 HG SER 40 15.114 -15.195 2.281
286 H SER 41 H SER 41 15.096 -16.668 -0.841
287 HA SER 41 HA SER 41 13.568 -18.924 0.236
288 HB2 SER 41 1HB SER 41 12.584 -18.484 -1.952
289 HB3 SER 41 2HB SER 41 14.181 -18.505 -2.700
290 HG SER 41 HG SER 41 13.393 -20.517 -3.014
291 H GLY 42 H GLY 42 14.696 -20.930 0.232
292 HA2 GLY 42 1HA GLY 42 16.668 -22.226 -0.291
293 HA3 GLY 42 2HA GLY 42 17.581 -20.725 -0.340
Start of MODEL 15
1 H1 GLY 1 H GLY 1 15.145 28.021 -3.098
2 HA2 GLY 1 1HA GLY 1 12.216 28.065 -2.721
3 HA3 GLY 1 2HA GLY 1 13.023 27.431 -4.148
4 H SER 2 H SER 2 11.112 25.999 -2.667
5 HA SER 2 HA SER 2 12.706 23.669 -1.973
6 HB2 SER 2 1HB SER 2 10.802 24.994 -0.034
7 HB3 SER 2 2HB SER 2 11.361 23.330 0.143
8 HG SER 2 HG SER 2 13.021 24.176 1.097
9 H SER 3 H SER 3 11.720 21.781 -2.483
10 HA SER 3 HA SER 3 9.365 21.890 -4.090
11 HB2 SER 3 1HB SER 3 11.372 20.269 -4.284
12 HB3 SER 3 2HB SER 3 10.565 19.346 -3.017
13 HG SER 3 HG SER 3 9.470 18.519 -4.603
14 H GLY 4 H GLY 4 7.449 22.258 -3.159
15 HA2 GLY 4 1HA GLY 4 6.709 20.555 -0.864
16 HA3 GLY 4 2HA GLY 4 6.305 22.265 -0.898
17 H SER 5 H SER 5 5.245 19.165 -1.619
18 HA SER 5 HA SER 5 3.563 19.667 -3.838
19 HB2 SER 5 1HB SER 5 2.420 17.563 -3.155
20 HB3 SER 5 2HB SER 5 4.173 17.393 -3.235
21 HG SER 5 HG SER 5 2.497 17.522 -0.979
22 H SER 6 H SER 6 1.272 19.881 -3.892
23 HA SER 6 HA SER 6 0.255 21.816 -2.117
24 HB2 SER 6 1HB SER 6 -1.303 20.019 -3.991
25 HB3 SER 6 2HB SER 6 -1.858 21.545 -3.304
26 HG SER 6 HG SER 6 0.500 21.913 -4.522
27 H GLY 7 H GLY 7 -1.121 21.702 -0.391
28 HA2 GLY 7 1HA GLY 7 -1.223 19.162 0.989
29 HA3 GLY 7 2HA GLY 7 -1.772 20.712 1.609
30 H GLY 8 H GLY 8 -2.640 17.868 -0.211
31 HA2 GLY 8 1HA GLY 8 -5.410 18.826 -0.443
32 HA3 GLY 8 2HA GLY 8 -4.723 17.458 -1.307
33 H GLU 9 H GLU 9 -5.858 15.726 -0.709
34 HA GLU 9 HA GLU 9 -5.807 14.930 2.075
35 HB2 GLU 9 1HB GLU 9 -8.318 15.688 0.639
36 HB3 GLU 9 2HB GLU 9 -8.365 14.372 1.804
37 HG2 GLU 9 1HG GLU 9 -7.463 15.887 3.518
38 HG3 GLU 9 2HG GLU 9 -7.499 17.203 2.346
39 H LYS 10 H LYS 10 -6.792 12.703 2.336
40 HA LYS 10 HA LYS 10 -6.345 11.120 -0.111
41 HB2 LYS 10 1HB LYS 10 -5.618 10.454 2.746
42 HB3 LYS 10 2HB LYS 10 -5.549 9.299 1.421
43 HG2 LYS 10 1HG LYS 10 -3.690 10.237 0.512
44 HG3 LYS 10 2HG LYS 10 -4.093 11.858 1.082
45 HD2 LYS 10 1HD LYS 10 -3.407 11.307 3.315
46 HD3 LYS 10 2HD LYS 10 -3.192 9.610 2.879
47 HE2 LYS 10 1HE LYS 10 -1.668 11.684 1.378
48 HE3 LYS 10 2HE LYS 10 -1.143 11.262 3.007
49 HZ1 LYS 10 3HZ LYS 10 -1.480 8.844 1.936
50 HZ2 LYS 10 1HZ LYS 10 -0.007 9.677 1.923
51 HZ3 LYS 10 2HZ LYS 10 -1.011 9.712 0.562
52 HA PRO 11 HA PRO 11 -10.666 10.361 1.390
53 HB2 PRO 11 1HB PRO 11 -11.783 10.448 -1.082
54 HB3 PRO 11 2HB PRO 11 -11.517 11.891 -0.097
55 HG2 PRO 11 1HG PRO 11 -9.874 10.809 -2.353
56 HG3 PRO 11 2HG PRO 11 -10.340 12.485 -2.013
57 HD2 PRO 11 1HD PRO 11 -7.892 11.502 -1.403
58 HD3 PRO 11 2HD PRO 11 -8.686 12.756 -0.430
59 H TYR 12 H TYR 12 -8.298 8.715 -0.166
60 HA TYR 12 HA TYR 12 -10.024 6.373 -0.640
61 HB2 TYR 12 1HB TYR 12 -7.428 7.133 -1.992
62 HB3 TYR 12 2HB TYR 12 -8.247 5.592 -2.215
63 HD1 TYR 12 HD1 TYR 12 -8.544 9.239 -2.759
64 HD2 TYR 12 HD2 TYR 12 -10.086 5.386 -3.699
65 HE1 TYR 12 HE1 TYR 12 -9.895 10.226 -4.562
66 HE2 TYR 12 HE2 TYR 12 -11.440 6.363 -5.506
67 HH TYR 12 HH TYR 12 -11.613 8.260 -6.857
68 HA PRO 13 HA PRO 13 -7.347 5.314 2.952
69 HB2 PRO 13 1HB PRO 13 -9.251 3.835 4.200
70 HB3 PRO 13 2HB PRO 13 -9.132 5.590 4.373
71 HG2 PRO 13 1HG PRO 13 -10.945 3.978 2.619
72 HG3 PRO 13 2HG PRO 13 -11.318 5.406 3.602
73 HD2 PRO 13 1HD PRO 13 -10.905 5.544 0.930
74 HD3 PRO 13 2HD PRO 13 -10.466 6.864 2.033
75 H CYS 14 H CYS 14 -6.234 3.432 3.302
76 HA CYS 14 HA CYS 14 -6.348 1.436 1.269
77 HB2 CYS 14 1HB CYS 14 -4.200 1.924 2.157
78 HB3 CYS 14 2HB CYS 14 -4.754 1.705 3.814
79 H GLU 15 H GLU 15 -6.539 -0.893 1.699
80 HA GLU 15 HA GLU 15 -8.765 -1.397 3.536
81 HB2 GLU 15 1HB GLU 15 -9.073 -3.486 2.247
82 HB3 GLU 15 2HB GLU 15 -9.164 -2.049 1.239
83 HG2 GLU 15 1HG GLU 15 -6.869 -2.424 0.493
84 HG3 GLU 15 2HG GLU 15 -6.779 -3.866 1.502
85 H ILE 16 H ILE 16 -5.532 -2.548 2.716
86 HA ILE 16 HA ILE 16 -5.455 -4.723 4.505
87 HB ILE 16 HB ILE 16 -3.155 -3.043 3.498
88 HG12 ILE 16 1HG1 ILE 16 -3.009 -5.292 2.054
89 HG13 ILE 16 2HG1 ILE 16 -4.747 -5.272 2.334
90 HG21 ILE 16 1HG2 ILE 16 -3.315 -5.481 5.158
91 HG22 ILE 16 2HG2 ILE 16 -2.099 -5.475 3.882
92 HG23 ILE 16 3HG2 ILE 16 -2.089 -4.214 5.115
93 HD11 ILE 16 3HD1 ILE 16 -3.216 -3.797 0.446
94 HD12 ILE 16 1HD1 ILE 16 -4.966 -3.858 0.654
95 HD13 ILE 16 2HD1 ILE 16 -4.012 -2.671 1.545
96 H CYS 17 H CYS 17 -3.541 -1.745 4.875
97 HA CYS 17 HA CYS 17 -3.659 -2.066 7.769
98 HB2 CYS 17 1HB CYS 17 -1.971 -0.229 7.780
99 HB3 CYS 17 2HB CYS 17 -1.471 -1.637 6.847
100 H GLY 18 H GLY 18 -4.357 0.431 5.330
101 HA2 GLY 18 1HA GLY 18 -6.657 1.454 5.822
102 HA3 GLY 18 2HA GLY 18 -5.927 1.873 7.365
103 H THR 19 H THR 19 -3.327 2.241 5.737
104 HA THR 19 HA THR 19 -3.167 4.953 5.695
105 HB THR 19 HB THR 19 -1.834 3.066 3.743
106 HG1 THR 19 HG1 THR 19 -1.121 4.073 6.306
107 HG21 THR 19 3HG2 THR 19 -1.912 5.649 3.277
108 HG22 THR 19 1HG2 THR 19 -0.405 4.754 3.090
109 HG23 THR 19 2HG2 THR 19 -0.690 5.705 4.547
110 H ARG 20 H ARG 20 -3.923 6.590 4.501
111 HA ARG 20 HA ARG 20 -5.610 5.940 2.201
112 HB2 ARG 20 1HB ARG 20 -5.336 8.641 3.509
113 HB3 ARG 20 2HB ARG 20 -6.654 8.045 2.509
114 HG2 ARG 20 1HG ARG 20 -7.608 6.871 4.215
115 HG3 ARG 20 2HG ARG 20 -6.072 6.620 5.047
116 HD2 ARG 20 1HD ARG 20 -6.137 8.672 6.074
117 HD3 ARG 20 2HD ARG 20 -7.132 9.392 4.810
118 HE ARG 20 HE ARG 20 -8.437 7.358 6.400
119 HH11 ARG 20 1HH1 ARG 20 -7.773 10.750 5.981
120 HH12 ARG 20 2HH1 ARG 20 -9.137 11.266 6.917
121 HH21 ARG 20 1HH2 ARG 20 -10.236 8.025 7.633
122 HH22 ARG 20 2HH2 ARG 20 -10.537 9.715 7.856
123 H PHE 21 H PHE 21 -5.481 7.195 0.249
124 HA PHE 21 HA PHE 21 -2.901 8.525 -0.198
125 HB2 PHE 21 1HB PHE 21 -4.129 6.367 -1.920
126 HB3 PHE 21 2HB PHE 21 -2.810 7.405 -2.452
127 HD1 PHE 21 HD2 PHE 21 -3.711 5.122 0.353
128 HD2 PHE 21 HD1 PHE 21 -0.649 6.681 -2.158
129 HE1 PHE 21 HE2 PHE 21 -2.092 3.578 1.376
130 HE2 PHE 21 HE1 PHE 21 0.976 5.138 -1.140
131 HZ PHE 21 HZ PHE 21 0.255 3.585 0.630
132 H ARG 22 H ARG 22 -2.935 10.239 -1.604
133 HA ARG 22 HA ARG 22 -5.112 11.826 -1.864
134 HB2 ARG 22 1HB ARG 22 -2.642 12.228 -2.561
135 HB3 ARG 22 2HB ARG 22 -3.165 11.668 -4.143
136 HG2 ARG 22 1HG ARG 22 -4.917 13.444 -4.110
137 HG3 ARG 22 2HG ARG 22 -4.184 14.056 -2.626
138 HD2 ARG 22 1HD ARG 22 -2.493 13.632 -5.052
139 HD3 ARG 22 2HD ARG 22 -3.513 15.066 -4.938
140 HE ARG 22 HE ARG 22 -2.113 14.929 -2.565
141 HH11 ARG 22 1HH1 ARG 22 -1.364 15.212 -5.953
142 HH12 ARG 22 2HH1 ARG 22 0.096 16.106 -5.689
143 HH21 ARG 22 1HH2 ARG 22 -0.192 16.105 -2.205
144 HH22 ARG 22 2HH2 ARG 22 0.762 16.613 -3.557
145 H HIS 23 H HIS 23 -4.041 9.456 -4.294
146 HA HIS 23 HA HIS 23 -6.754 9.550 -5.442
147 HB2 HIS 23 1HB HIS 23 -4.070 9.452 -6.728
148 HB3 HIS 23 2HB HIS 23 -5.378 8.561 -7.501
149 HD2 HIS 23 HD2 HIS 23 -6.114 12.036 -5.878
150 HE1 HIS 23 HE1 HIS 23 -6.332 12.433 -10.096
151 HE2 HIS 23 HE2 HIS 23 -6.633 13.590 -7.879
152 H LEU 24 H LEU 24 -7.196 7.455 -6.746
153 HA LEU 24 HA LEU 24 -6.821 5.250 -4.896
154 HB2 LEU 24 1HB LEU 24 -9.032 5.797 -5.904
155 HB3 LEU 24 2HB LEU 24 -8.382 5.326 -7.473
156 HG LEU 24 HG LEU 24 -8.469 3.092 -6.994
157 HD11 LEU 24 1HD1 LEU 24 -7.026 3.079 -5.081
158 HD12 LEU 24 2HD1 LEU 24 -8.487 2.175 -4.685
159 HD13 LEU 24 3HD1 LEU 24 -8.274 3.816 -4.076
160 HD21 LEU 24 3HD2 LEU 24 -10.651 4.513 -5.544
161 HD22 LEU 24 1HD2 LEU 24 -10.541 2.757 -5.424
162 HD23 LEU 24 2HD2 LEU 24 -10.723 3.523 -7.002
163 H GLN 25 H GLN 25 -6.363 5.784 -8.393
164 HA GLN 25 HA GLN 25 -5.226 3.455 -9.172
165 HB2 GLN 25 1HB GLN 25 -3.851 4.791 -10.782
166 HB3 GLN 25 2HB GLN 25 -5.559 5.213 -10.763
167 HG2 GLN 25 1HG GLN 25 -5.189 7.260 -9.809
168 HG3 GLN 25 2HG GLN 25 -3.684 6.753 -9.045
169 HE21 GLN 25 1HE2 GLN 25 -5.039 8.465 -11.560
170 HE22 GLN 25 2HE2 GLN 25 -3.635 8.646 -12.549
171 H THR 26 H THR 26 -3.808 5.849 -7.087
172 HA THR 26 HA THR 26 -1.152 4.724 -7.225
173 HB THR 26 HB THR 26 -2.305 6.802 -5.354
174 HG1 THR 26 HG1 THR 26 -0.777 8.088 -6.789
175 HG21 THR 26 3HG2 THR 26 -0.187 5.383 -4.697
176 HG22 THR 26 1HG2 THR 26 -0.219 7.127 -4.440
177 HG23 THR 26 2HG2 THR 26 0.617 6.457 -5.841
178 H LEU 27 H LEU 27 -3.796 4.822 -4.857
179 HA LEU 27 HA LEU 27 -2.558 3.468 -2.773
180 HB2 LEU 27 1HB LEU 27 -4.631 4.477 -2.333
181 HB3 LEU 27 2HB LEU 27 -5.417 3.635 -3.666
182 HG LEU 27 HG LEU 27 -5.296 1.536 -2.411
183 HD11 LEU 27 1HD1 LEU 27 -4.064 3.245 -0.255
184 HD12 LEU 27 2HD1 LEU 27 -3.295 1.916 -1.122
185 HD13 LEU 27 3HD1 LEU 27 -4.642 1.593 -0.030
186 HD21 LEU 27 3HD2 LEU 27 -6.513 3.764 -0.782
187 HD22 LEU 27 1HD2 LEU 27 -6.968 2.060 -0.750
188 HD23 LEU 27 2HD2 LEU 27 -7.256 3.022 -2.200
189 H LYS 28 H LYS 28 -4.348 2.173 -5.544
190 HA LYS 28 HA LYS 28 -4.393 -0.508 -4.870
191 HB2 LYS 28 1HB LYS 28 -4.133 0.833 -7.560
192 HB3 LYS 28 2HB LYS 28 -4.343 -0.904 -7.380
193 HG2 LYS 28 1HG LYS 28 -6.507 -0.694 -6.594
194 HG3 LYS 28 2HG LYS 28 -6.272 0.984 -6.099
195 HD2 LYS 28 1HD LYS 28 -6.587 1.796 -8.218
196 HD3 LYS 28 2HD LYS 28 -6.012 0.315 -8.987
197 HE2 LYS 28 1HE LYS 28 -8.128 -0.777 -8.072
198 HE3 LYS 28 2HE LYS 28 -8.693 0.861 -7.745
199 HZ1 LYS 28 3HZ LYS 28 -8.421 -0.531 -10.270
200 HZ2 LYS 28 1HZ LYS 28 -7.907 1.081 -10.285
201 HZ3 LYS 28 2HZ LYS 28 -9.488 0.702 -9.822
202 H SER 29 H SER 29 -1.731 1.453 -5.928
203 HA SER 29 HA SER 29 -0.025 -0.802 -6.535
204 HB2 SER 29 1HB SER 29 0.591 2.154 -6.314
205 HB3 SER 29 2HB SER 29 1.725 0.925 -6.873
206 HG SER 29 HG SER 29 0.390 0.532 -8.628
207 H HIS 30 H HIS 30 -0.849 1.084 -3.790
208 HA HIS 30 HA HIS 30 1.552 0.623 -2.300
209 HB2 HIS 30 1HB HIS 30 0.488 2.461 -1.443
210 HB3 HIS 30 2HB HIS 30 -1.119 1.811 -1.756
211 HD1 HIS 30 HD1 HIS 30 1.773 1.090 0.617
212 HD2 HIS 30 HD2 HIS 30 -2.380 1.036 0.502
213 HE1 HIS 30 HE1 HIS 30 1.044 0.465 2.941
214 H LEU 31 H LEU 31 -1.275 -1.196 -2.977
215 HA LEU 31 HA LEU 31 -1.185 -2.871 -0.654
216 HB2 LEU 31 1HB LEU 31 -2.452 -3.760 -3.196
217 HB3 LEU 31 2HB LEU 31 -2.999 -3.969 -1.534
218 HG LEU 31 HG LEU 31 -3.270 -1.551 -3.299
219 HD11 LEU 31 1HD1 LEU 31 -4.926 -3.685 -2.860
220 HD12 LEU 31 2HD1 LEU 31 -5.433 -2.092 -3.420
221 HD13 LEU 31 3HD1 LEU 31 -5.525 -2.494 -1.706
222 HD21 LEU 31 3HD2 LEU 31 -2.628 -0.522 -1.320
223 HD22 LEU 31 1HD2 LEU 31 -3.390 -1.755 -0.314
224 HD23 LEU 31 2HD2 LEU 31 -4.386 -0.584 -1.180
225 H ARG 32 H ARG 32 0.862 -2.583 -3.210
226 HA ARG 32 HA ARG 32 1.367 -5.302 -3.867
227 HB2 ARG 32 1HB ARG 32 2.705 -2.693 -4.360
228 HB3 ARG 32 2HB ARG 32 3.688 -4.143 -4.519
229 HG2 ARG 32 1HG ARG 32 2.800 -3.528 -6.666
230 HG3 ARG 32 2HG ARG 32 2.057 -5.038 -6.134
231 HD2 ARG 32 1HD ARG 32 0.015 -4.026 -5.697
232 HD3 ARG 32 2HD ARG 32 0.728 -2.419 -5.566
233 HE ARG 32 HE ARG 32 0.499 -2.171 -7.829
234 HH11 ARG 32 1HH1 ARG 32 0.142 -5.535 -7.008
235 HH12 ARG 32 2HH1 ARG 32 -0.357 -6.005 -8.599
236 HH21 ARG 32 1HH2 ARG 32 -0.156 -2.778 -9.928
237 HH22 ARG 32 2HH2 ARG 32 -0.525 -4.436 -10.260
238 H ILE 33 H ILE 33 2.444 -3.176 -1.334
239 HA ILE 33 HA ILE 33 4.629 -4.883 -0.526
240 HB ILE 33 HB ILE 33 5.105 -3.316 1.153
241 HG12 ILE 33 1HG1 ILE 33 2.289 -2.265 0.807
242 HG13 ILE 33 2HG1 ILE 33 2.885 -3.203 2.171
243 HG21 ILE 33 1HG2 ILE 33 4.080 -1.166 -0.443
244 HG22 ILE 33 2HG2 ILE 33 5.736 -1.749 -0.287
245 HG23 ILE 33 3HG2 ILE 33 4.657 -2.468 -1.482
246 HD11 ILE 33 3HD1 ILE 33 4.575 -1.277 2.456
247 HD12 ILE 33 1HD1 ILE 33 3.459 -0.368 1.437
248 HD13 ILE 33 2HD1 ILE 33 2.905 -1.040 2.971
249 H HIS 34 H HIS 34 1.266 -4.634 0.099
250 HA HIS 34 HA HIS 34 1.317 -5.916 2.672
251 HB2 HIS 34 1HB HIS 34 -0.886 -5.217 0.739
252 HB3 HIS 34 2HB HIS 34 -1.195 -6.135 2.209
253 HD1 HIS 34 HD1 HIS 34 0.330 -4.668 4.307
254 HD2 HIS 34 HD2 HIS 34 -1.701 -2.700 1.264
255 HE1 HIS 34 HE1 HIS 34 -0.098 -2.347 5.175
256 H THR 35 H THR 35 0.580 -6.902 -0.650
257 HA THR 35 HA THR 35 0.799 -9.708 0.227
258 HB THR 35 HB THR 35 -1.528 -9.093 -0.426
259 HG1 THR 35 HG1 THR 35 -0.806 -11.244 -0.701
260 HG21 THR 35 3HG2 THR 35 -0.563 -8.941 -3.261
261 HG22 THR 35 1HG2 THR 35 -0.648 -7.493 -2.260
262 HG23 THR 35 2HG2 THR 35 -2.108 -8.428 -2.584
263 H GLY 36 H GLY 36 2.575 -10.621 -0.558
264 HA2 GLY 36 1HA GLY 36 3.219 -10.910 -3.222
265 HA3 GLY 36 2HA GLY 36 4.079 -9.471 -2.695
266 H SER 37 H SER 37 5.347 -11.801 -3.628
267 HA SER 37 HA SER 37 6.475 -12.988 -1.189
268 HB2 SER 37 1HB SER 37 7.164 -14.839 -2.492
269 HB3 SER 37 2HB SER 37 5.550 -14.446 -3.085
270 HG SER 37 HG SER 37 7.282 -14.804 -4.700
271 H GLY 38 H GLY 38 8.387 -12.308 -0.496
272 HA2 GLY 38 1HA GLY 38 10.273 -11.184 -2.470
273 HA3 GLY 38 2HA GLY 38 9.968 -10.376 -0.940
274 HA PRO 39 HA PRO 39 13.694 -13.033 -0.357
275 HB2 PRO 39 1HB PRO 39 15.056 -11.186 1.093
276 HB3 PRO 39 2HB PRO 39 15.078 -11.227 -0.674
277 HG2 PRO 39 1HG PRO 39 13.461 -9.500 1.161
278 HG3 PRO 39 2HG PRO 39 14.316 -9.057 -0.327
279 HD2 PRO 39 1HD PRO 39 11.643 -9.486 -0.255
280 HD3 PRO 39 2HD PRO 39 12.632 -9.857 -1.682
281 H SER 40 H SER 40 12.698 -14.476 1.035
282 HA SER 40 HA SER 40 12.066 -13.597 3.748
283 HB2 SER 40 1HB SER 40 11.508 -16.137 2.218
284 HB3 SER 40 2HB SER 40 11.219 -16.004 3.952
285 HG SER 40 HG SER 40 9.860 -14.182 3.449
286 H SER 41 H SER 41 14.773 -13.522 3.155
287 HA SER 41 HA SER 41 16.449 -15.569 3.519
288 HB2 SER 41 1HB SER 41 16.485 -12.859 4.831
289 HB3 SER 41 2HB SER 41 17.790 -14.016 5.091
290 HG SER 41 HG SER 41 18.512 -13.602 3.163
291 H GLY 42 H GLY 42 14.554 -14.094 6.134
292 HA2 GLY 42 1HA GLY 42 13.577 -15.602 7.791
293 HA3 GLY 42 2HA GLY 42 15.070 -16.527 7.727
Start of MODEL 16
1 H1 GLY 1 H GLY 1 10.268 18.676 12.859
2 HA2 GLY 1 1HA GLY 1 10.907 17.007 11.104
3 HA3 GLY 1 2HA GLY 1 10.778 15.804 12.379
4 H SER 2 H SER 2 9.032 17.897 10.211
5 HA SER 2 HA SER 2 6.650 16.248 10.606
6 HB2 SER 2 1HB SER 2 5.174 18.179 10.742
7 HB3 SER 2 2HB SER 2 6.369 18.261 12.036
8 HG SER 2 HG SER 2 6.093 20.269 10.941
9 H SER 3 H SER 3 5.168 16.306 8.832
10 HA SER 3 HA SER 3 6.451 17.160 6.323
11 HB2 SER 3 1HB SER 3 4.369 15.001 6.746
12 HB3 SER 3 2HB SER 3 5.148 15.404 5.216
13 HG SER 3 HG SER 3 6.754 14.191 5.786
14 H GLY 4 H GLY 4 5.374 18.433 4.890
15 HA2 GLY 4 1HA GLY 4 3.075 19.862 5.886
16 HA3 GLY 4 2HA GLY 4 3.923 20.167 4.377
17 H SER 5 H SER 5 1.677 20.467 3.602
18 HA SER 5 HA SER 5 0.797 18.100 2.249
19 HB2 SER 5 1HB SER 5 -0.698 19.121 4.618
20 HB3 SER 5 2HB SER 5 -1.636 18.576 3.228
21 HG SER 5 HG SER 5 -1.093 16.580 3.644
22 H SER 6 H SER 6 0.717 18.996 0.288
23 HA SER 6 HA SER 6 -0.381 21.674 -0.059
24 HB2 SER 6 1HB SER 6 1.764 20.852 -1.188
25 HB3 SER 6 2HB SER 6 0.718 19.895 -2.235
26 HG SER 6 HG SER 6 -0.288 21.833 -2.885
27 H GLY 7 H GLY 7 -2.575 21.093 0.459
28 HA2 GLY 7 1HA GLY 7 -4.675 20.191 0.023
29 HA3 GLY 7 2HA GLY 7 -4.362 20.962 -1.525
30 H GLY 8 H GLY 8 -3.543 17.949 0.206
31 HA2 GLY 8 1HA GLY 8 -4.255 16.482 -2.246
32 HA3 GLY 8 2HA GLY 8 -2.716 16.167 -1.459
33 H GLU 9 H GLU 9 -6.091 16.546 -0.363
34 HA GLU 9 HA GLU 9 -5.942 14.851 1.817
35 HB2 GLU 9 1HB GLU 9 -8.327 15.316 0.017
36 HB3 GLU 9 2HB GLU 9 -8.389 14.650 1.643
37 HG2 GLU 9 1HG GLU 9 -7.744 16.695 2.616
38 HG3 GLU 9 2HG GLU 9 -7.258 17.368 1.061
39 H LYS 10 H LYS 10 -6.569 12.683 2.165
40 HA LYS 10 HA LYS 10 -6.249 10.975 -0.211
41 HB2 LYS 10 1HB LYS 10 -5.722 10.278 2.683
42 HB3 LYS 10 2HB LYS 10 -5.408 9.249 1.292
43 HG2 LYS 10 1HG LYS 10 -3.317 10.075 1.700
44 HG3 LYS 10 2HG LYS 10 -3.911 11.252 0.525
45 HD2 LYS 10 1HD LYS 10 -4.577 12.728 2.392
46 HD3 LYS 10 2HD LYS 10 -3.889 11.565 3.528
47 HE2 LYS 10 1HE LYS 10 -1.734 12.076 2.957
48 HE3 LYS 10 2HE LYS 10 -2.166 12.548 1.314
49 HZ1 LYS 10 3HZ LYS 10 -3.412 14.435 2.699
50 HZ2 LYS 10 1HZ LYS 10 -1.820 14.595 2.149
51 HZ3 LYS 10 2HZ LYS 10 -2.120 14.134 3.748
52 HA PRO 11 HA PRO 11 -10.623 10.401 1.235
53 HB2 PRO 11 1HB PRO 11 -11.699 10.450 -1.257
54 HB3 PRO 11 2HB PRO 11 -11.408 11.912 -0.307
55 HG2 PRO 11 1HG PRO 11 -9.761 10.723 -2.506
56 HG3 PRO 11 2HG PRO 11 -10.185 12.420 -2.219
57 HD2 PRO 11 1HD PRO 11 -7.775 11.387 -1.543
58 HD3 PRO 11 2HD PRO 11 -8.549 12.689 -0.617
59 H TYR 12 H TYR 12 -8.282 8.655 -0.270
60 HA TYR 12 HA TYR 12 -10.062 6.341 -0.674
61 HB2 TYR 12 1HB TYR 12 -7.453 6.992 -2.058
62 HB3 TYR 12 2HB TYR 12 -8.331 5.478 -2.246
63 HD1 TYR 12 HD1 TYR 12 -8.478 9.119 -2.875
64 HD2 TYR 12 HD2 TYR 12 -10.200 5.317 -3.704
65 HE1 TYR 12 HE1 TYR 12 -9.799 10.120 -4.691
66 HE2 TYR 12 HE2 TYR 12 -11.525 6.308 -5.523
67 HH TYR 12 HH TYR 12 -11.898 9.639 -5.921
68 HA PRO 13 HA PRO 13 -7.414 5.295 2.931
69 HB2 PRO 13 1HB PRO 13 -9.330 3.824 4.171
70 HB3 PRO 13 2HB PRO 13 -9.215 5.580 4.330
71 HG2 PRO 13 1HG PRO 13 -11.006 3.950 2.571
72 HG3 PRO 13 2HG PRO 13 -11.392 5.386 3.537
73 HD2 PRO 13 1HD PRO 13 -10.949 5.502 0.868
74 HD3 PRO 13 2HD PRO 13 -10.525 6.832 1.965
75 H CYS 14 H CYS 14 -6.279 3.433 3.275
76 HA CYS 14 HA CYS 14 -6.362 1.420 1.269
77 HB2 CYS 14 1HB CYS 14 -4.240 1.941 2.230
78 HB3 CYS 14 2HB CYS 14 -4.837 1.660 3.862
79 H GLU 15 H GLU 15 -6.532 -0.917 1.731
80 HA GLU 15 HA GLU 15 -8.797 -1.414 3.527
81 HB2 GLU 15 1HB GLU 15 -9.382 -2.144 1.387
82 HB3 GLU 15 2HB GLU 15 -7.774 -2.774 1.058
83 HG2 GLU 15 1HG GLU 15 -8.156 -4.731 2.171
84 HG3 GLU 15 2HG GLU 15 -9.362 -4.017 3.239
85 H ILE 16 H ILE 16 -5.557 -2.549 2.731
86 HA ILE 16 HA ILE 16 -5.518 -4.742 4.518
87 HB ILE 16 HB ILE 16 -3.185 -3.120 3.492
88 HG12 ILE 16 1HG1 ILE 16 -3.116 -5.354 2.023
89 HG13 ILE 16 2HG1 ILE 16 -4.850 -5.290 2.317
90 HG21 ILE 16 1HG2 ILE 16 -3.325 -5.863 4.733
91 HG22 ILE 16 2HG2 ILE 16 -1.901 -5.199 3.934
92 HG23 ILE 16 3HG2 ILE 16 -2.529 -4.435 5.394
93 HD11 ILE 16 3HD1 ILE 16 -4.049 -2.701 1.553
94 HD12 ILE 16 1HD1 ILE 16 -3.294 -3.835 0.434
95 HD13 ILE 16 2HD1 ILE 16 -5.044 -3.849 0.657
96 H CYS 17 H CYS 17 -3.555 -1.789 4.840
97 HA CYS 17 HA CYS 17 -3.601 -2.098 7.733
98 HB2 CYS 17 1HB CYS 17 -1.937 -0.250 7.704
99 HB3 CYS 17 2HB CYS 17 -1.452 -1.629 6.723
100 H GLY 18 H GLY 18 -4.406 0.399 5.325
101 HA2 GLY 18 1HA GLY 18 -6.700 1.394 5.859
102 HA3 GLY 18 2HA GLY 18 -5.967 1.785 7.408
103 H THR 19 H THR 19 -3.370 2.258 5.857
104 HA THR 19 HA THR 19 -3.290 4.973 5.841
105 HB THR 19 HB THR 19 -1.807 2.993 4.131
106 HG1 THR 19 HG1 THR 19 -1.053 3.013 6.190
107 HG21 THR 19 3HG2 THR 19 -1.741 5.981 3.997
108 HG22 THR 19 1HG2 THR 19 -1.668 4.801 2.689
109 HG23 THR 19 2HG2 THR 19 -0.264 5.058 3.725
110 H ARG 20 H ARG 20 -3.986 6.613 4.598
111 HA ARG 20 HA ARG 20 -5.639 5.939 2.281
112 HB2 ARG 20 1HB ARG 20 -5.360 8.595 3.695
113 HB3 ARG 20 2HB ARG 20 -6.577 8.160 2.502
114 HG2 ARG 20 1HG ARG 20 -7.802 6.946 3.986
115 HG3 ARG 20 2HG ARG 20 -6.396 6.508 4.958
116 HD2 ARG 20 1HD ARG 20 -6.465 8.438 6.178
117 HD3 ARG 20 2HD ARG 20 -7.183 9.369 4.864
118 HE ARG 20 HE ARG 20 -9.156 7.652 5.560
119 HH11 ARG 20 1HH1 ARG 20 -7.173 9.881 7.354
120 HH12 ARG 20 2HH1 ARG 20 -8.385 10.199 8.551
121 HH21 ARG 20 1HH2 ARG 20 -10.759 8.062 7.129
122 HH22 ARG 20 2HH2 ARG 20 -10.424 9.162 8.423
123 H PHE 21 H PHE 21 -5.374 6.917 0.264
124 HA PHE 21 HA PHE 21 -2.783 8.257 -0.153
125 HB2 PHE 21 1HB PHE 21 -4.128 6.134 -1.822
126 HB3 PHE 21 2HB PHE 21 -2.841 7.157 -2.454
127 HD1 PHE 21 HD2 PHE 21 -3.627 4.746 0.255
128 HD2 PHE 21 HD1 PHE 21 -0.611 6.601 -2.106
129 HE1 PHE 21 HE2 PHE 21 -1.952 3.209 1.195
130 HE2 PHE 21 HE1 PHE 21 1.070 5.066 -1.170
131 HZ PHE 21 HZ PHE 21 0.400 3.368 0.483
132 H ARG 22 H ARG 22 -2.769 10.061 -1.389
133 HA ARG 22 HA ARG 22 -4.862 11.722 -1.673
134 HB2 ARG 22 1HB ARG 22 -2.509 12.282 -2.236
135 HB3 ARG 22 2HB ARG 22 -2.694 11.421 -3.758
136 HG2 ARG 22 1HG ARG 22 -4.311 12.997 -4.534
137 HG3 ARG 22 2HG ARG 22 -4.374 13.783 -2.955
138 HD2 ARG 22 1HD ARG 22 -2.301 14.774 -3.221
139 HD3 ARG 22 2HD ARG 22 -1.776 13.589 -4.417
140 HE ARG 22 HE ARG 22 -3.870 14.932 -5.584
141 HH11 ARG 22 1HH1 ARG 22 -0.769 15.783 -4.251
142 HH12 ARG 22 2HH1 ARG 22 -0.544 17.142 -5.302
143 HH21 ARG 22 1HH2 ARG 22 -3.585 16.718 -6.974
144 HH22 ARG 22 2HH2 ARG 22 -2.147 17.673 -6.850
145 H HIS 23 H HIS 23 -3.862 9.374 -4.154
146 HA HIS 23 HA HIS 23 -6.576 9.563 -5.287
147 HB2 HIS 23 1HB HIS 23 -3.914 9.584 -6.619
148 HB3 HIS 23 2HB HIS 23 -5.220 8.724 -7.428
149 HD2 HIS 23 HD2 HIS 23 -6.421 11.883 -5.622
150 HE1 HIS 23 HE1 HIS 23 -5.948 12.882 -9.718
151 HE2 HIS 23 HE2 HIS 23 -6.766 13.662 -7.468
152 H LEU 24 H LEU 24 -7.274 7.595 -6.452
153 HA LEU 24 HA LEU 24 -6.810 5.281 -4.839
154 HB2 LEU 24 1HB LEU 24 -8.985 5.924 -5.932
155 HB3 LEU 24 2HB LEU 24 -8.279 5.415 -7.464
156 HG LEU 24 HG LEU 24 -8.262 3.154 -6.830
157 HD11 LEU 24 1HD1 LEU 24 -9.160 2.713 -4.356
158 HD12 LEU 24 2HD1 LEU 24 -8.344 4.253 -4.086
159 HD13 LEU 24 3HD1 LEU 24 -7.446 2.881 -4.736
160 HD21 LEU 24 3HD2 LEU 24 -10.765 4.496 -5.828
161 HD22 LEU 24 1HD2 LEU 24 -10.606 2.750 -6.023
162 HD23 LEU 24 2HD2 LEU 24 -10.467 3.810 -7.427
163 H GLN 25 H GLN 25 -6.330 5.906 -8.320
164 HA GLN 25 HA GLN 25 -5.165 3.656 -9.192
165 HB2 GLN 25 1HB GLN 25 -3.721 5.046 -10.672
166 HB3 GLN 25 2HB GLN 25 -5.405 5.551 -10.654
167 HG2 GLN 25 1HG GLN 25 -4.955 7.496 -9.517
168 HG3 GLN 25 2HG GLN 25 -3.468 6.864 -8.811
169 HE21 GLN 25 1HE2 GLN 25 -4.929 7.925 -11.838
170 HE22 GLN 25 2HE2 GLN 25 -3.461 8.474 -12.565
171 H THR 26 H THR 26 -3.701 5.961 -7.000
172 HA THR 26 HA THR 26 -1.103 4.722 -7.077
173 HB THR 26 HB THR 26 -2.205 6.730 -5.102
174 HG1 THR 26 HG1 THR 26 -0.973 8.205 -6.442
175 HG21 THR 26 3HG2 THR 26 -0.221 6.714 -4.068
176 HG22 THR 26 1HG2 THR 26 0.661 6.730 -5.594
177 HG23 THR 26 2HG2 THR 26 0.095 5.202 -4.919
178 H LEU 27 H LEU 27 -3.871 4.746 -4.871
179 HA LEU 27 HA LEU 27 -2.749 3.313 -2.760
180 HB2 LEU 27 1HB LEU 27 -4.840 4.366 -2.435
181 HB3 LEU 27 2HB LEU 27 -5.566 3.503 -3.790
182 HG LEU 27 HG LEU 27 -5.544 1.435 -2.524
183 HD11 LEU 27 1HD1 LEU 27 -3.446 2.057 -1.242
184 HD12 LEU 27 2HD1 LEU 27 -4.710 1.227 -0.335
185 HD13 LEU 27 3HD1 LEU 27 -4.500 2.970 -0.161
186 HD21 LEU 27 3HD2 LEU 27 -6.946 2.343 -0.493
187 HD22 LEU 27 1HD2 LEU 27 -7.555 2.460 -2.145
188 HD23 LEU 27 2HD2 LEU 27 -6.821 3.866 -1.374
189 H LYS 28 H LYS 28 -4.530 2.122 -5.597
190 HA LYS 28 HA LYS 28 -4.566 -0.577 -5.024
191 HB2 LYS 28 1HB LYS 28 -4.297 0.855 -7.666
192 HB3 LYS 28 2HB LYS 28 -4.512 -0.886 -7.546
193 HG2 LYS 28 1HG LYS 28 -6.672 -0.679 -6.682
194 HG3 LYS 28 2HG LYS 28 -6.435 1.019 -6.259
195 HD2 LYS 28 1HD LYS 28 -6.607 1.716 -8.485
196 HD3 LYS 28 2HD LYS 28 -6.311 0.092 -9.111
197 HE2 LYS 28 1HE LYS 28 -8.465 -0.623 -8.621
198 HE3 LYS 28 2HE LYS 28 -8.722 0.649 -7.428
199 HZ1 LYS 28 3HZ LYS 28 -8.260 1.908 -9.854
200 HZ2 LYS 28 1HZ LYS 28 -9.720 1.814 -9.004
201 HZ3 LYS 28 2HZ LYS 28 -9.349 0.655 -10.178
202 H SER 29 H SER 29 -1.917 1.403 -6.153
203 HA SER 29 HA SER 29 -0.214 -0.856 -6.737
204 HB2 SER 29 1HB SER 29 0.099 2.123 -6.823
205 HB3 SER 29 2HB SER 29 1.537 1.103 -6.836
206 HG SER 29 HG SER 29 0.338 -0.036 -8.620
207 H HIS 30 H HIS 30 -1.047 0.993 -3.995
208 HA HIS 30 HA HIS 30 1.399 0.616 -2.542
209 HB2 HIS 30 1HB HIS 30 0.292 2.445 -1.704
210 HB3 HIS 30 2HB HIS 30 -1.299 1.730 -1.948
211 HD1 HIS 30 HD1 HIS 30 1.696 1.193 0.342
212 HD2 HIS 30 HD2 HIS 30 -2.450 0.918 0.357
213 HE1 HIS 30 HE1 HIS 30 1.071 0.576 2.699
214 H LEU 31 H LEU 31 -1.523 -1.184 -3.027
215 HA LEU 31 HA LEU 31 -1.349 -2.853 -0.742
216 HB2 LEU 31 1HB LEU 31 -2.567 -3.767 -3.311
217 HB3 LEU 31 2HB LEU 31 -3.093 -4.070 -1.656
218 HG LEU 31 HG LEU 31 -3.513 -1.620 -3.340
219 HD11 LEU 31 1HD1 LEU 31 -5.847 -2.145 -2.139
220 HD12 LEU 31 2HD1 LEU 31 -5.166 -3.771 -2.174
221 HD13 LEU 31 3HD1 LEU 31 -5.366 -2.868 -3.675
222 HD21 LEU 31 3HD2 LEU 31 -3.628 -1.883 -0.349
223 HD22 LEU 31 1HD2 LEU 31 -4.560 -0.669 -1.226
224 HD23 LEU 31 2HD2 LEU 31 -2.798 -0.662 -1.315
225 H ARG 32 H ARG 32 0.706 -2.574 -3.304
226 HA ARG 32 HA ARG 32 1.296 -5.313 -3.836
227 HB2 ARG 32 1HB ARG 32 2.560 -2.689 -4.482
228 HB3 ARG 32 2HB ARG 32 3.534 -4.144 -4.645
229 HG2 ARG 32 1HG ARG 32 2.482 -3.495 -6.754
230 HG3 ARG 32 2HG ARG 32 1.932 -5.079 -6.202
231 HD2 ARG 32 1HD ARG 32 -0.165 -4.273 -5.593
232 HD3 ARG 32 2HD ARG 32 0.392 -2.602 -5.526
233 HE ARG 32 HE ARG 32 0.038 -2.418 -7.791
234 HH11 ARG 32 1HH1 ARG 32 -0.167 -5.759 -6.836
235 HH12 ARG 32 2HH1 ARG 32 -0.792 -6.292 -8.362
236 HH21 ARG 32 1HH2 ARG 32 -0.784 -3.107 -9.804
237 HH22 ARG 32 2HH2 ARG 32 -1.142 -4.783 -10.049
238 H ILE 33 H ILE 33 2.604 -2.872 -1.652
239 HA ILE 33 HA ILE 33 4.781 -4.478 -0.741
240 HB ILE 33 HB ILE 33 5.162 -2.798 0.916
241 HG12 ILE 33 1HG1 ILE 33 2.647 -1.330 0.228
242 HG13 ILE 33 2HG1 ILE 33 2.567 -2.673 1.364
243 HG21 ILE 33 1HG2 ILE 33 4.490 -1.985 -1.835
244 HG22 ILE 33 2HG2 ILE 33 4.671 -0.676 -0.668
245 HG23 ILE 33 3HG2 ILE 33 5.995 -1.810 -0.932
246 HD11 ILE 33 3HD1 ILE 33 3.834 -0.009 1.653
247 HD12 ILE 33 1HD1 ILE 33 2.884 -0.947 2.806
248 HD13 ILE 33 2HD1 ILE 33 4.565 -1.378 2.491
249 H HIS 34 H HIS 34 1.468 -4.586 -0.175
250 HA HIS 34 HA HIS 34 1.638 -5.582 2.541
251 HB2 HIS 34 1HB HIS 34 -0.608 -5.087 0.610
252 HB3 HIS 34 2HB HIS 34 -0.876 -6.055 2.057
253 HD1 HIS 34 HD1 HIS 34 0.610 -4.489 4.164
254 HD2 HIS 34 HD2 HIS 34 -1.699 -2.688 1.217
255 HE1 HIS 34 HE1 HIS 34 -0.013 -2.232 5.083
256 H THR 35 H THR 35 -0.023 -6.984 -0.274
257 HA THR 35 HA THR 35 0.145 -9.627 0.652
258 HB THR 35 HB THR 35 -1.514 -9.080 -0.991
259 HG1 THR 35 HG1 THR 35 -1.066 -10.749 -2.520
260 HG21 THR 35 3HG2 THR 35 -0.310 -7.281 -2.139
261 HG22 THR 35 1HG2 THR 35 -0.940 -8.459 -3.289
262 HG23 THR 35 2HG2 THR 35 0.773 -8.467 -2.868
263 H GLY 36 H GLY 36 2.239 -7.761 -1.492
264 HA2 GLY 36 1HA GLY 36 3.888 -9.962 -2.248
265 HA3 GLY 36 2HA GLY 36 4.272 -8.260 -2.452
266 H SER 37 H SER 37 4.911 -7.104 -0.397
267 HA SER 37 HA SER 37 7.108 -8.478 0.764
268 HB2 SER 37 1HB SER 37 6.763 -5.926 0.355
269 HB3 SER 37 2HB SER 37 5.966 -5.955 1.928
270 HG SER 37 HG SER 37 7.967 -7.037 2.662
271 H GLY 38 H GLY 38 7.241 -9.658 2.568
272 HA2 GLY 38 1HA GLY 38 6.712 -10.105 4.856
273 HA3 GLY 38 2HA GLY 38 5.124 -9.400 4.591
274 HA PRO 39 HA PRO 39 4.997 -14.110 4.375
275 HB2 PRO 39 1HB PRO 39 3.408 -14.487 6.544
276 HB3 PRO 39 2HB PRO 39 5.172 -14.439 6.642
277 HG2 PRO 39 1HG PRO 39 3.183 -12.284 7.241
278 HG3 PRO 39 2HG PRO 39 4.637 -12.747 8.145
279 HD2 PRO 39 1HD PRO 39 4.577 -10.616 6.475
280 HD3 PRO 39 2HD PRO 39 6.039 -11.591 6.728
281 H SER 40 H SER 40 3.561 -14.739 2.902
282 HA SER 40 HA SER 40 0.797 -13.738 3.109
283 HB2 SER 40 1HB SER 40 0.659 -13.723 0.668
284 HB3 SER 40 2HB SER 40 1.990 -12.699 1.206
285 HG SER 40 HG SER 40 2.232 -14.455 -0.574
286 H SER 41 H SER 41 -0.861 -15.170 2.573
287 HA SER 41 HA SER 41 -0.366 -17.814 1.626
288 HB2 SER 41 1HB SER 41 -0.594 -17.331 4.561
289 HB3 SER 41 2HB SER 41 -1.394 -18.754 3.894
290 HG SER 41 HG SER 41 0.548 -19.565 4.154
291 H GLY 42 H GLY 42 -2.084 -18.109 0.377
292 HA2 GLY 42 1HA GLY 42 -4.500 -16.682 0.621
293 HA3 GLY 42 2HA GLY 42 -4.248 -18.099 -0.387
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -11.748 29.971 4.544
2 HA2 GLY 1 1HA GLY 1 -13.376 31.715 4.298
3 HA3 GLY 1 2HA GLY 1 -13.587 30.662 2.907
4 H SER 2 H SER 2 -15.764 31.120 2.655
5 HA SER 2 HA SER 2 -17.655 31.005 4.759
6 HB2 SER 2 1HB SER 2 -19.327 31.213 3.064
7 HB3 SER 2 2HB SER 2 -17.947 32.169 2.524
8 HG SER 2 HG SER 2 -18.709 30.892 0.829
9 H SER 3 H SER 3 -16.639 28.661 2.305
10 HA SER 3 HA SER 3 -18.299 26.614 3.593
11 HB2 SER 3 1HB SER 3 -18.626 26.738 1.210
12 HB3 SER 3 2HB SER 3 -16.888 26.667 0.918
13 HG SER 3 HG SER 3 -17.181 24.595 0.810
14 H GLY 4 H GLY 4 -14.980 27.084 2.386
15 HA2 GLY 4 1HA GLY 4 -13.515 26.262 4.479
16 HA3 GLY 4 2HA GLY 4 -14.061 24.730 3.812
17 H SER 5 H SER 5 -11.820 24.237 3.449
18 HA SER 5 HA SER 5 -10.968 25.023 0.811
19 HB2 SER 5 1HB SER 5 -8.864 25.981 1.385
20 HB3 SER 5 2HB SER 5 -10.062 26.807 2.381
21 HG SER 5 HG SER 5 -8.461 24.618 3.223
22 H SER 6 H SER 6 -10.003 23.358 -0.170
23 HA SER 6 HA SER 6 -8.748 21.276 1.480
24 HB2 SER 6 1HB SER 6 -11.075 20.604 0.828
25 HB3 SER 6 2HB SER 6 -10.575 20.696 -0.861
26 HG SER 6 HG SER 6 -8.784 19.224 0.386
27 H GLY 7 H GLY 7 -7.092 20.086 0.467
28 HA2 GLY 7 1HA GLY 7 -6.270 20.983 -2.205
29 HA3 GLY 7 2HA GLY 7 -5.138 21.167 -0.874
30 H GLY 8 H GLY 8 -4.163 19.338 0.034
31 HA2 GLY 8 1HA GLY 8 -4.251 16.987 -1.730
32 HA3 GLY 8 2HA GLY 8 -2.920 17.418 -0.666
33 H GLU 9 H GLU 9 -6.141 16.040 -0.824
34 HA GLU 9 HA GLU 9 -5.784 14.997 1.906
35 HB2 GLU 9 1HB GLU 9 -8.220 15.704 0.310
36 HB3 GLU 9 2HB GLU 9 -8.335 14.516 1.601
37 HG2 GLU 9 1HG GLU 9 -7.249 16.290 3.084
38 HG3 GLU 9 2HG GLU 9 -7.636 17.422 1.790
39 H LYS 10 H LYS 10 -6.557 12.807 2.312
40 HA LYS 10 HA LYS 10 -6.179 11.076 -0.042
41 HB2 LYS 10 1HB LYS 10 -5.705 10.294 2.833
42 HB3 LYS 10 2HB LYS 10 -5.217 9.420 1.387
43 HG2 LYS 10 1HG LYS 10 -3.680 11.269 0.829
44 HG3 LYS 10 2HG LYS 10 -4.124 12.057 2.345
45 HD2 LYS 10 1HD LYS 10 -3.194 10.282 3.631
46 HD3 LYS 10 2HD LYS 10 -2.990 9.269 2.199
47 HE2 LYS 10 1HE LYS 10 -0.847 10.121 2.708
48 HE3 LYS 10 2HE LYS 10 -1.422 11.049 1.324
49 HZ1 LYS 10 3HZ LYS 10 -2.167 12.268 3.789
50 HZ2 LYS 10 1HZ LYS 10 -1.306 12.919 2.486
51 HZ3 LYS 10 2HZ LYS 10 -0.491 12.061 3.693
52 HA PRO 11 HA PRO 11 -10.540 10.482 1.480
53 HB2 PRO 11 1HB PRO 11 -11.676 10.619 -0.982
54 HB3 PRO 11 2HB PRO 11 -11.366 12.046 0.014
55 HG2 PRO 11 1HG PRO 11 -9.769 10.945 -2.266
56 HG3 PRO 11 2HG PRO 11 -10.191 12.630 -1.906
57 HD2 PRO 11 1HD PRO 11 -7.763 11.580 -1.327
58 HD3 PRO 11 2HD PRO 11 -8.517 12.845 -0.336
59 H TYR 12 H TYR 12 -8.228 8.796 -0.125
60 HA TYR 12 HA TYR 12 -10.016 6.505 -0.618
61 HB2 TYR 12 1HB TYR 12 -7.380 7.183 -1.936
62 HB3 TYR 12 2HB TYR 12 -8.274 5.690 -2.199
63 HD1 TYR 12 HD1 TYR 12 -8.410 9.364 -2.642
64 HD2 TYR 12 HD2 TYR 12 -10.075 5.602 -3.729
65 HE1 TYR 12 HE1 TYR 12 -9.691 10.456 -4.436
66 HE2 TYR 12 HE2 TYR 12 -11.359 6.684 -5.526
67 HH TYR 12 HH TYR 12 -11.294 10.195 -5.975
68 HA PRO 13 HA PRO 13 -7.440 5.294 2.984
69 HB2 PRO 13 1HB PRO 13 -9.378 3.767 4.116
70 HB3 PRO 13 2HB PRO 13 -9.270 5.515 4.355
71 HG2 PRO 13 1HG PRO 13 -11.020 3.962 2.487
72 HG3 PRO 13 2HG PRO 13 -11.430 5.354 3.508
73 HD2 PRO 13 1HD PRO 13 -10.930 5.588 0.857
74 HD3 PRO 13 2HD PRO 13 -10.532 6.868 2.020
75 H CYS 14 H CYS 14 -6.447 3.326 3.438
76 HA CYS 14 HA CYS 14 -6.509 1.400 1.291
77 HB2 CYS 14 1HB CYS 14 -4.343 1.873 2.106
78 HB3 CYS 14 2HB CYS 14 -4.847 1.703 3.785
79 H GLU 15 H GLU 15 -6.669 -0.932 1.700
80 HA GLU 15 HA GLU 15 -8.845 -1.480 3.580
81 HB2 GLU 15 1HB GLU 15 -9.361 -2.165 1.357
82 HB3 GLU 15 2HB GLU 15 -7.805 -2.960 1.169
83 HG2 GLU 15 1HG GLU 15 -9.180 -4.753 1.509
84 HG3 GLU 15 2HG GLU 15 -8.632 -4.432 3.153
85 H ILE 16 H ILE 16 -5.618 -2.598 2.685
86 HA ILE 16 HA ILE 16 -5.471 -4.778 4.454
87 HB ILE 16 HB ILE 16 -3.217 -3.039 3.442
88 HG12 ILE 16 1HG1 ILE 16 -3.041 -5.262 1.967
89 HG13 ILE 16 2HG1 ILE 16 -4.774 -5.290 2.270
90 HG21 ILE 16 1HG2 ILE 16 -2.108 -4.207 5.031
91 HG22 ILE 16 2HG2 ILE 16 -3.308 -5.497 5.076
92 HG23 ILE 16 3HG2 ILE 16 -2.108 -5.454 3.785
93 HD11 ILE 16 3HD1 ILE 16 -5.067 -3.839 0.635
94 HD12 ILE 16 1HD1 ILE 16 -4.085 -2.659 1.503
95 HD13 ILE 16 2HD1 ILE 16 -3.325 -3.773 0.366
96 H CYS 17 H CYS 17 -3.614 -1.766 4.841
97 HA CYS 17 HA CYS 17 -3.723 -2.120 7.736
98 HB2 CYS 17 1HB CYS 17 -2.019 -0.304 7.770
99 HB3 CYS 17 2HB CYS 17 -1.529 -1.699 6.814
100 H GLY 18 H GLY 18 -4.374 0.413 5.319
101 HA2 GLY 18 1HA GLY 18 -6.676 1.444 5.804
102 HA3 GLY 18 2HA GLY 18 -5.951 1.845 7.353
103 H THR 19 H THR 19 -3.334 2.222 5.780
104 HA THR 19 HA THR 19 -3.204 4.945 5.731
105 HB THR 19 HB THR 19 -1.739 2.952 4.004
106 HG1 THR 19 HG1 THR 19 -0.030 3.774 5.532
107 HG21 THR 19 3HG2 THR 19 -1.437 5.939 4.168
108 HG22 THR 19 1HG2 THR 19 -1.571 4.925 2.732
109 HG23 THR 19 2HG2 THR 19 -0.098 4.892 3.701
110 H ARG 20 H ARG 20 -4.102 6.511 4.568
111 HA ARG 20 HA ARG 20 -5.685 5.842 2.237
112 HB2 ARG 20 1HB ARG 20 -5.241 8.513 3.582
113 HB3 ARG 20 2HB ARG 20 -6.441 8.169 2.343
114 HG2 ARG 20 1HG ARG 20 -7.821 7.078 3.781
115 HG3 ARG 20 2HG ARG 20 -6.496 6.515 4.802
116 HD2 ARG 20 1HD ARG 20 -7.310 9.406 4.650
117 HD3 ARG 20 2HD ARG 20 -8.039 8.275 5.791
118 HE ARG 20 HE ARG 20 -5.184 8.272 5.922
119 HH11 ARG 20 1HH1 ARG 20 -8.052 9.949 6.961
120 HH12 ARG 20 2HH1 ARG 20 -7.309 10.612 8.379
121 HH21 ARG 20 1HH2 ARG 20 -4.194 9.139 7.785
122 HH22 ARG 20 2HH2 ARG 20 -5.114 10.151 8.846
123 H PHE 21 H PHE 21 -5.582 7.423 0.343
124 HA PHE 21 HA PHE 21 -2.898 8.396 -0.232
125 HB2 PHE 21 1HB PHE 21 -4.277 6.236 -1.827
126 HB3 PHE 21 2HB PHE 21 -2.958 7.205 -2.474
127 HD1 PHE 21 HD2 PHE 21 -3.838 4.903 0.299
128 HD2 PHE 21 HD1 PHE 21 -0.746 6.607 -2.077
129 HE1 PHE 21 HE2 PHE 21 -2.214 3.356 1.310
130 HE2 PHE 21 HE1 PHE 21 0.884 5.062 -1.071
131 HZ PHE 21 HZ PHE 21 0.151 3.435 0.625
132 H ARG 22 H ARG 22 -2.887 10.155 -1.531
133 HA ARG 22 HA ARG 22 -5.021 11.780 -1.876
134 HB2 ARG 22 1HB ARG 22 -2.739 12.494 -2.347
135 HB3 ARG 22 2HB ARG 22 -2.690 11.470 -3.776
136 HG2 ARG 22 1HG ARG 22 -3.144 13.464 -4.760
137 HG3 ARG 22 2HG ARG 22 -4.794 12.920 -4.448
138 HD2 ARG 22 1HD ARG 22 -4.892 15.051 -3.611
139 HD3 ARG 22 2HD ARG 22 -4.429 14.157 -2.163
140 HE ARG 22 HE ARG 22 -2.534 15.409 -2.127
141 HH11 ARG 22 1HH1 ARG 22 -3.624 15.185 -5.425
142 HH12 ARG 22 2HH1 ARG 22 -2.353 16.184 -6.050
143 HH21 ARG 22 1HH2 ARG 22 -0.857 16.725 -2.937
144 HH22 ARG 22 2HH2 ARG 22 -0.779 17.058 -4.634
145 H HIS 23 H HIS 23 -3.823 9.539 -4.379
146 HA HIS 23 HA HIS 23 -6.483 9.676 -5.639
147 HB2 HIS 23 1HB HIS 23 -3.729 9.481 -6.763
148 HB3 HIS 23 2HB HIS 23 -5.029 8.665 -7.626
149 HD2 HIS 23 HD2 HIS 23 -4.364 12.360 -6.353
150 HE1 HIS 23 HE1 HIS 23 -6.636 12.458 -9.934
151 HE2 HIS 23 HE2 HIS 23 -5.410 13.825 -8.210
152 H LEU 24 H LEU 24 -7.221 7.686 -6.703
153 HA LEU 24 HA LEU 24 -6.922 5.440 -4.950
154 HB2 LEU 24 1HB LEU 24 -9.049 6.107 -6.081
155 HB3 LEU 24 2HB LEU 24 -8.346 5.559 -7.602
156 HG LEU 24 HG LEU 24 -9.967 3.991 -6.401
157 HD11 LEU 24 1HD1 LEU 24 -7.565 3.510 -7.871
158 HD12 LEU 24 2HD1 LEU 24 -9.077 2.602 -7.878
159 HD13 LEU 24 3HD1 LEU 24 -7.815 2.204 -6.712
160 HD21 LEU 24 3HD2 LEU 24 -9.399 2.955 -4.468
161 HD22 LEU 24 1HD2 LEU 24 -8.501 4.452 -4.215
162 HD23 LEU 24 2HD2 LEU 24 -7.670 3.015 -4.812
163 H GLN 25 H GLN 25 -6.428 5.784 -8.469
164 HA GLN 25 HA GLN 25 -5.322 3.445 -9.154
165 HB2 GLN 25 1HB GLN 25 -3.849 4.673 -10.750
166 HB3 GLN 25 2HB GLN 25 -5.524 5.209 -10.773
167 HG2 GLN 25 1HG GLN 25 -5.033 7.223 -9.743
168 HG3 GLN 25 2HG GLN 25 -3.507 6.629 -9.089
169 HE21 GLN 25 1HE2 GLN 25 -1.721 7.184 -10.115
170 HE22 GLN 25 2HE2 GLN 25 -1.627 7.793 -11.729
171 H THR 26 H THR 26 -3.832 5.841 -7.105
172 HA THR 26 HA THR 26 -1.228 4.627 -7.133
173 HB THR 26 HB THR 26 -2.398 6.676 -5.240
174 HG1 THR 26 HG1 THR 26 -2.223 7.650 -7.193
175 HG21 THR 26 3HG2 THR 26 0.476 6.701 -5.530
176 HG22 THR 26 1HG2 THR 26 -0.085 5.138 -4.936
177 HG23 THR 26 2HG2 THR 26 -0.501 6.614 -4.065
178 H LEU 27 H LEU 27 -3.890 4.803 -4.777
179 HA LEU 27 HA LEU 27 -2.774 3.356 -2.712
180 HB2 LEU 27 1HB LEU 27 -4.840 4.382 -2.311
181 HB3 LEU 27 2HB LEU 27 -5.594 3.600 -3.699
182 HG LEU 27 HG LEU 27 -5.596 1.470 -2.518
183 HD11 LEU 27 1HD1 LEU 27 -4.323 3.028 -0.275
184 HD12 LEU 27 2HD1 LEU 27 -3.601 1.705 -1.189
185 HD13 LEU 27 3HD1 LEU 27 -4.976 1.396 -0.128
186 HD21 LEU 27 3HD2 LEU 27 -7.566 2.031 -1.663
187 HD22 LEU 27 1HD2 LEU 27 -7.144 3.726 -1.905
188 HD23 LEU 27 2HD2 LEU 27 -6.794 2.942 -0.364
189 H LYS 28 H LYS 28 -4.362 2.166 -5.632
190 HA LYS 28 HA LYS 28 -4.494 -0.544 -4.979
191 HB2 LYS 28 1HB LYS 28 -4.282 0.931 -7.588
192 HB3 LYS 28 2HB LYS 28 -4.294 -0.828 -7.549
193 HG2 LYS 28 1HG LYS 28 -6.470 -0.902 -6.671
194 HG3 LYS 28 2HG LYS 28 -6.441 0.809 -6.239
195 HD2 LYS 28 1HD LYS 28 -6.603 1.482 -8.497
196 HD3 LYS 28 2HD LYS 28 -6.226 -0.138 -9.087
197 HE2 LYS 28 1HE LYS 28 -8.675 0.445 -7.446
198 HE3 LYS 28 2HE LYS 28 -8.661 0.608 -9.201
199 HZ1 LYS 28 3HZ LYS 28 -9.291 -1.536 -9.095
200 HZ2 LYS 28 1HZ LYS 28 -8.624 -1.790 -7.561
201 HZ3 LYS 28 2HZ LYS 28 -7.632 -1.824 -8.931
202 H SER 29 H SER 29 -1.819 1.423 -6.042
203 HA SER 29 HA SER 29 -0.112 -0.851 -6.583
204 HB2 SER 29 1HB SER 29 -0.035 1.455 -7.752
205 HB3 SER 29 2HB SER 29 0.834 1.995 -6.315
206 HG SER 29 HG SER 29 2.329 1.304 -7.820
207 H HIS 30 H HIS 30 -1.043 0.950 -3.870
208 HA HIS 30 HA HIS 30 1.394 0.645 -2.371
209 HB2 HIS 30 1HB HIS 30 0.245 2.462 -1.565
210 HB3 HIS 30 2HB HIS 30 -1.331 1.724 -1.840
211 HD1 HIS 30 HD1 HIS 30 1.620 1.244 0.519
212 HD2 HIS 30 HD2 HIS 30 -2.520 0.905 0.443
213 HE1 HIS 30 HE1 HIS 30 0.953 0.630 2.865
214 H LEU 31 H LEU 31 -1.383 -1.271 -3.017
215 HA LEU 31 HA LEU 31 -1.264 -2.908 -0.679
216 HB2 LEU 31 1HB LEU 31 -2.418 -3.862 -3.259
217 HB3 LEU 31 2HB LEU 31 -2.979 -4.141 -1.612
218 HG LEU 31 HG LEU 31 -3.409 -1.750 -3.369
219 HD11 LEU 31 1HD1 LEU 31 -5.326 -2.858 -3.630
220 HD12 LEU 31 2HD1 LEU 31 -5.706 -2.341 -1.988
221 HD13 LEU 31 3HD1 LEU 31 -4.996 -3.930 -2.269
222 HD21 LEU 31 3HD2 LEU 31 -3.454 -1.883 -0.373
223 HD22 LEU 31 1HD2 LEU 31 -4.482 -0.757 -1.261
224 HD23 LEU 31 2HD2 LEU 31 -2.728 -0.663 -1.420
225 H ARG 32 H ARG 32 0.809 -2.597 -3.234
226 HA ARG 32 HA ARG 32 1.463 -5.293 -3.807
227 HB2 ARG 32 1HB ARG 32 2.712 -2.639 -4.290
228 HB3 ARG 32 2HB ARG 32 3.756 -4.050 -4.397
229 HG2 ARG 32 1HG ARG 32 2.950 -3.550 -6.581
230 HG3 ARG 32 2HG ARG 32 2.159 -5.029 -6.033
231 HD2 ARG 32 1HD ARG 32 0.115 -3.987 -5.751
232 HD3 ARG 32 2HD ARG 32 0.839 -2.389 -5.579
233 HE ARG 32 HE ARG 32 0.674 -2.131 -7.839
234 HH11 ARG 32 1HH1 ARG 32 0.493 -5.526 -7.089
235 HH12 ARG 32 2HH1 ARG 32 0.144 -6.001 -8.718
236 HH21 ARG 32 1HH2 ARG 32 0.216 -2.744 -9.988
237 HH22 ARG 32 2HH2 ARG 32 -0.012 -4.418 -10.367
238 H ILE 33 H ILE 33 2.555 -3.002 -1.379
239 HA ILE 33 HA ILE 33 4.699 -4.668 -0.442
240 HB ILE 33 HB ILE 33 5.082 -3.045 1.231
241 HG12 ILE 33 1HG1 ILE 33 2.364 -1.858 0.640
242 HG13 ILE 33 2HG1 ILE 33 2.700 -2.930 1.995
243 HG21 ILE 33 1HG2 ILE 33 4.476 -2.166 -1.478
244 HG22 ILE 33 2HG2 ILE 33 4.423 -0.859 -0.297
245 HG23 ILE 33 3HG2 ILE 33 5.882 -1.834 -0.467
246 HD11 ILE 33 3HD1 ILE 33 4.467 -1.220 2.673
247 HD12 ILE 33 1HD1 ILE 33 3.671 -0.137 1.531
248 HD13 ILE 33 2HD1 ILE 33 2.773 -0.789 2.902
249 H HIS 34 H HIS 34 1.350 -4.678 -0.040
250 HA HIS 34 HA HIS 34 1.368 -5.810 2.630
251 HB2 HIS 34 1HB HIS 34 -0.802 -5.173 0.643
252 HB3 HIS 34 2HB HIS 34 -1.135 -6.109 2.097
253 HD1 HIS 34 HD1 HIS 34 0.427 -4.572 4.190
254 HD2 HIS 34 HD2 HIS 34 -1.822 -2.732 1.220
255 HE1 HIS 34 HE1 HIS 34 -0.111 -2.281 5.076
256 H THR 35 H THR 35 0.892 -6.878 -0.695
257 HA THR 35 HA THR 35 0.751 -9.661 0.256
258 HB THR 35 HB THR 35 -1.165 -9.255 -1.057
259 HG1 THR 35 HG1 THR 35 0.700 -10.336 -2.917
260 HG21 THR 35 3HG2 THR 35 -0.583 -8.426 -3.553
261 HG22 THR 35 1HG2 THR 35 0.676 -7.581 -2.653
262 HG23 THR 35 2HG2 THR 35 -1.022 -7.329 -2.244
263 H GLY 36 H GLY 36 3.112 -9.555 0.548
264 HA2 GLY 36 1HA GLY 36 4.449 -10.307 -1.953
265 HA3 GLY 36 2HA GLY 36 5.170 -9.039 -0.974
266 H SER 37 H SER 37 7.034 -10.476 -0.909
267 HA SER 37 HA SER 37 6.702 -12.749 0.926
268 HB2 SER 37 1HB SER 37 8.643 -12.133 -1.262
269 HB3 SER 37 2HB SER 37 9.181 -13.145 0.079
270 HG SER 37 HG SER 37 6.777 -13.667 -1.311
271 H GLY 38 H GLY 38 6.689 -11.607 2.870
272 HA2 GLY 38 1HA GLY 38 9.238 -11.084 4.002
273 HA3 GLY 38 2HA GLY 38 8.419 -9.572 3.639
274 HA PRO 39 HA PRO 39 7.150 -10.700 7.902
275 HB2 PRO 39 1HB PRO 39 7.102 -8.136 8.792
276 HB3 PRO 39 2HB PRO 39 8.576 -9.110 8.748
277 HG2 PRO 39 1HG PRO 39 7.620 -7.035 6.814
278 HG3 PRO 39 2HG PRO 39 9.251 -7.296 7.459
279 HD2 PRO 39 1HD PRO 39 8.504 -8.144 4.998
280 HD3 PRO 39 2HD PRO 39 9.693 -9.015 5.988
281 H SER 40 H SER 40 5.727 -9.319 5.267
282 HA SER 40 HA SER 40 3.616 -7.810 5.869
283 HB2 SER 40 1HB SER 40 3.497 -10.343 4.215
284 HB3 SER 40 2HB SER 40 2.274 -9.072 4.193
285 HG SER 40 HG SER 40 4.902 -8.277 3.779
286 H SER 41 H SER 41 1.762 -7.865 7.015
287 HA SER 41 HA SER 41 1.345 -10.187 8.744
288 HB2 SER 41 1HB SER 41 -0.037 -8.707 10.106
289 HB3 SER 41 2HB SER 41 1.522 -7.946 9.791
290 HG SER 41 HG SER 41 -0.728 -6.830 9.404
291 H GLY 42 H GLY 42 -0.448 -11.440 8.692
292 HA2 GLY 42 1HA GLY 42 -2.132 -11.251 6.359
293 HA3 GLY 42 2HA GLY 42 -2.193 -12.500 7.594
Start of MODEL 18
1 H1 GLY 1 H GLY 1 1.825 17.036 6.687
2 HA2 GLY 1 1HA GLY 1 0.909 14.643 6.968
3 HA3 GLY 1 2HA GLY 1 2.053 14.585 8.301
4 H SER 2 H SER 2 -1.097 14.942 7.644
5 HA SER 2 HA SER 2 -2.887 16.007 8.618
6 HB2 SER 2 1HB SER 2 -1.165 14.936 10.815
7 HB3 SER 2 2HB SER 2 -2.583 15.894 11.244
8 HG SER 2 HG SER 2 -3.685 14.375 9.687
9 H SER 3 H SER 3 -1.120 17.906 7.662
10 HA SER 3 HA SER 3 -1.188 19.968 9.767
11 HB2 SER 3 1HB SER 3 0.681 19.779 7.392
12 HB3 SER 3 2HB SER 3 0.673 21.073 8.590
13 HG SER 3 HG SER 3 1.587 18.454 8.797
14 H GLY 4 H GLY 4 -1.242 19.634 6.211
15 HA2 GLY 4 1HA GLY 4 -2.275 22.102 5.555
16 HA3 GLY 4 2HA GLY 4 -2.581 20.636 4.635
17 H SER 5 H SER 5 -4.402 22.793 4.936
18 HA SER 5 HA SER 5 -6.579 21.391 6.333
19 HB2 SER 5 1HB SER 5 -7.398 23.374 7.308
20 HB3 SER 5 2HB SER 5 -5.654 23.464 7.554
21 HG SER 5 HG SER 5 -5.497 24.960 5.961
22 H SER 6 H SER 6 -8.138 20.871 4.964
23 HA SER 6 HA SER 6 -9.435 20.792 3.091
24 HB2 SER 6 1HB SER 6 -9.328 23.728 3.731
25 HB3 SER 6 2HB SER 6 -10.234 23.145 2.335
26 HG SER 6 HG SER 6 -11.757 22.645 3.675
27 H GLY 7 H GLY 7 -6.662 20.606 2.596
28 HA2 GLY 7 1HA GLY 7 -6.647 21.325 -0.205
29 HA3 GLY 7 2HA GLY 7 -5.446 22.171 0.761
30 H GLY 8 H GLY 8 -6.502 19.031 -0.407
31 HA2 GLY 8 1HA GLY 8 -4.969 17.395 -1.191
32 HA3 GLY 8 2HA GLY 8 -3.735 18.094 -0.154
33 H GLU 9 H GLU 9 -6.677 16.146 -0.173
34 HA GLU 9 HA GLU 9 -5.819 14.979 2.395
35 HB2 GLU 9 1HB GLU 9 -8.099 16.303 2.125
36 HB3 GLU 9 2HB GLU 9 -8.651 14.764 1.478
37 HG2 GLU 9 1HG GLU 9 -9.147 14.954 3.845
38 HG3 GLU 9 2HG GLU 9 -8.006 13.646 3.537
39 H LYS 10 H LYS 10 -6.584 12.698 2.704
40 HA LYS 10 HA LYS 10 -6.236 11.211 0.189
41 HB2 LYS 10 1HB LYS 10 -5.591 10.484 3.046
42 HB3 LYS 10 2HB LYS 10 -5.559 9.317 1.730
43 HG2 LYS 10 1HG LYS 10 -3.682 10.222 0.785
44 HG3 LYS 10 2HG LYS 10 -3.989 11.829 1.449
45 HD2 LYS 10 1HD LYS 10 -3.304 11.125 3.635
46 HD3 LYS 10 2HD LYS 10 -3.200 9.441 3.114
47 HE2 LYS 10 1HE LYS 10 -1.548 11.589 1.825
48 HE3 LYS 10 2HE LYS 10 -1.023 10.793 3.307
49 HZ1 LYS 10 3HZ LYS 10 -1.334 8.646 2.065
50 HZ2 LYS 10 1HZ LYS 10 -0.050 9.614 1.541
51 HZ3 LYS 10 2HZ LYS 10 -1.488 9.565 0.653
52 HA PRO 11 HA PRO 11 -10.620 10.436 1.484
53 HB2 PRO 11 1HB PRO 11 -11.635 10.628 -1.026
54 HB3 PRO 11 2HB PRO 11 -11.399 12.030 0.024
55 HG2 PRO 11 1HG PRO 11 -9.674 11.020 -2.204
56 HG3 PRO 11 2HG PRO 11 -10.140 12.687 -1.818
57 HD2 PRO 11 1HD PRO 11 -7.727 11.658 -1.149
58 HD3 PRO 11 2HD PRO 11 -8.550 12.881 -0.161
59 H TYR 12 H TYR 12 -8.205 8.831 -0.046
60 HA TYR 12 HA TYR 12 -9.928 6.530 -0.695
61 HB2 TYR 12 1HB TYR 12 -7.240 7.287 -1.857
62 HB3 TYR 12 2HB TYR 12 -8.091 5.786 -2.205
63 HD1 TYR 12 HD1 TYR 12 -8.256 9.466 -2.570
64 HD2 TYR 12 HD2 TYR 12 -9.827 5.713 -3.815
65 HE1 TYR 12 HE1 TYR 12 -9.464 10.585 -4.397
66 HE2 TYR 12 HE2 TYR 12 -11.038 6.821 -5.646
67 HH TYR 12 HH TYR 12 -11.295 10.259 -5.864
68 HA PRO 13 HA PRO 13 -7.499 5.272 2.999
69 HB2 PRO 13 1HB PRO 13 -9.480 3.731 4.033
70 HB3 PRO 13 2HB PRO 13 -9.380 5.475 4.304
71 HG2 PRO 13 1HG PRO 13 -11.060 3.956 2.346
72 HG3 PRO 13 2HG PRO 13 -11.506 5.331 3.373
73 HD2 PRO 13 1HD PRO 13 -10.906 5.607 0.747
74 HD3 PRO 13 2HD PRO 13 -10.551 6.868 1.945
75 H CYS 14 H CYS 14 -6.525 3.296 3.457
76 HA CYS 14 HA CYS 14 -6.524 1.399 1.281
77 HB2 CYS 14 1HB CYS 14 -4.402 2.016 2.287
78 HB3 CYS 14 2HB CYS 14 -4.964 1.487 3.870
79 H GLU 15 H GLU 15 -6.640 -0.953 1.701
80 HA GLU 15 HA GLU 15 -8.868 -1.522 3.519
81 HB2 GLU 15 1HB GLU 15 -9.405 -2.203 1.325
82 HB3 GLU 15 2HB GLU 15 -7.813 -2.901 1.062
83 HG2 GLU 15 1HG GLU 15 -9.236 -4.729 1.326
84 HG3 GLU 15 2HG GLU 15 -8.412 -4.572 2.876
85 H ILE 16 H ILE 16 -5.591 -2.514 2.724
86 HA ILE 16 HA ILE 16 -5.490 -4.748 4.469
87 HB ILE 16 HB ILE 16 -3.224 -3.051 3.416
88 HG12 ILE 16 1HG1 ILE 16 -3.084 -5.323 1.998
89 HG13 ILE 16 2HG1 ILE 16 -4.818 -5.298 2.297
90 HG21 ILE 16 1HG2 ILE 16 -2.030 -5.350 3.805
91 HG22 ILE 16 2HG2 ILE 16 -2.221 -4.202 5.130
92 HG23 ILE 16 3HG2 ILE 16 -3.314 -5.579 4.992
93 HD11 ILE 16 3HD1 ILE 16 -3.969 -2.709 1.451
94 HD12 ILE 16 1HD1 ILE 16 -3.381 -3.926 0.319
95 HD13 ILE 16 2HD1 ILE 16 -5.103 -3.819 0.684
96 H CYS 17 H CYS 17 -3.572 -1.772 4.817
97 HA CYS 17 HA CYS 17 -3.682 -2.088 7.716
98 HB2 CYS 17 1HB CYS 17 -1.930 -0.340 7.742
99 HB3 CYS 17 2HB CYS 17 -1.486 -1.717 6.739
100 H GLY 18 H GLY 18 -4.301 0.423 5.268
101 HA2 GLY 18 1HA GLY 18 -6.580 1.505 5.751
102 HA3 GLY 18 2HA GLY 18 -5.841 1.910 7.293
103 H THR 19 H THR 19 -3.209 2.285 5.854
104 HA THR 19 HA THR 19 -2.995 4.960 5.742
105 HB THR 19 HB THR 19 -1.678 2.985 3.874
106 HG1 THR 19 HG1 THR 19 -0.317 4.316 5.915
107 HG21 THR 19 3HG2 THR 19 -0.107 4.662 3.259
108 HG22 THR 19 1HG2 THR 19 -0.767 5.805 4.427
109 HG23 THR 19 2HG2 THR 19 -1.707 5.356 3.004
110 H ARG 20 H ARG 20 -4.192 6.462 4.787
111 HA ARG 20 HA ARG 20 -5.707 5.896 2.403
112 HB2 ARG 20 1HB ARG 20 -5.393 8.598 3.696
113 HB3 ARG 20 2HB ARG 20 -6.736 8.001 2.730
114 HG2 ARG 20 1HG ARG 20 -7.565 6.692 4.466
115 HG3 ARG 20 2HG ARG 20 -6.038 6.733 5.349
116 HD2 ARG 20 1HD ARG 20 -6.374 8.937 6.057
117 HD3 ARG 20 2HD ARG 20 -7.612 9.233 4.837
118 HE ARG 20 HE ARG 20 -8.350 7.190 6.703
119 HH11 ARG 20 1HH1 ARG 20 -8.233 10.626 6.158
120 HH12 ARG 20 2HH1 ARG 20 -9.526 10.976 7.257
121 HH21 ARG 20 1HH2 ARG 20 -10.054 7.637 8.152
122 HH22 ARG 20 2HH2 ARG 20 -10.561 9.275 8.391
123 H PHE 21 H PHE 21 -5.643 7.321 0.503
124 HA PHE 21 HA PHE 21 -3.009 8.512 0.001
125 HB2 PHE 21 1HB PHE 21 -4.413 6.471 -1.724
126 HB3 PHE 21 2HB PHE 21 -3.113 7.496 -2.323
127 HD1 PHE 21 HD2 PHE 21 -3.907 5.017 0.328
128 HD2 PHE 21 HD1 PHE 21 -0.903 6.846 -2.070
129 HE1 PHE 21 HE2 PHE 21 -2.253 3.407 1.178
130 HE2 PHE 21 HE1 PHE 21 0.756 5.237 -1.224
131 HZ PHE 21 HZ PHE 21 0.082 3.515 0.403
132 H ARG 22 H ARG 22 -3.015 9.840 -2.039
133 HA ARG 22 HA ARG 22 -5.257 11.623 -1.966
134 HB2 ARG 22 1HB ARG 22 -4.007 12.911 -3.647
135 HB3 ARG 22 2HB ARG 22 -2.999 12.488 -2.269
136 HG2 ARG 22 1HG ARG 22 -1.835 10.848 -3.493
137 HG3 ARG 22 2HG ARG 22 -3.019 10.876 -4.800
138 HD2 ARG 22 1HD ARG 22 -1.352 12.140 -5.730
139 HD3 ARG 22 2HD ARG 22 -2.309 13.401 -4.952
140 HE ARG 22 HE ARG 22 -0.218 12.349 -3.286
141 HH11 ARG 22 1HH1 ARG 22 -1.013 14.670 -5.755
142 HH12 ARG 22 2HH1 ARG 22 0.288 15.741 -5.351
143 HH21 ARG 22 1HH2 ARG 22 1.499 13.749 -2.745
144 HH22 ARG 22 2HH2 ARG 22 1.717 15.215 -3.639
145 H HIS 23 H HIS 23 -3.985 9.261 -4.264
146 HA HIS 23 HA HIS 23 -6.501 9.500 -5.779
147 HB2 HIS 23 1HB HIS 23 -3.680 9.366 -6.721
148 HB3 HIS 23 2HB HIS 23 -4.897 8.521 -7.674
149 HD2 HIS 23 HD2 HIS 23 -5.381 12.092 -6.063
150 HE1 HIS 23 HE1 HIS 23 -5.728 12.381 -10.281
151 HE2 HIS 23 HE2 HIS 23 -5.816 13.631 -8.096
152 H LEU 24 H LEU 24 -7.138 7.516 -6.927
153 HA LEU 24 HA LEU 24 -6.940 5.249 -5.186
154 HB2 LEU 24 1HB LEU 24 -9.002 5.860 -6.404
155 HB3 LEU 24 2HB LEU 24 -8.195 5.461 -7.919
156 HG LEU 24 HG LEU 24 -9.715 3.687 -7.227
157 HD11 LEU 24 1HD1 LEU 24 -6.924 2.670 -6.811
158 HD12 LEU 24 2HD1 LEU 24 -7.474 3.259 -8.379
159 HD13 LEU 24 3HD1 LEU 24 -8.280 1.886 -7.621
160 HD21 LEU 24 3HD2 LEU 24 -9.935 3.073 -5.108
161 HD22 LEU 24 1HD2 LEU 24 -8.700 4.250 -4.658
162 HD23 LEU 24 2HD2 LEU 24 -8.239 2.590 -5.040
163 H GLN 25 H GLN 25 -6.250 5.594 -8.672
164 HA GLN 25 HA GLN 25 -5.033 3.269 -9.243
165 HB2 GLN 25 1HB GLN 25 -3.570 4.499 -10.833
166 HB3 GLN 25 2HB GLN 25 -5.257 4.989 -10.916
167 HG2 GLN 25 1HG GLN 25 -4.846 7.046 -9.947
168 HG3 GLN 25 2HG GLN 25 -3.336 6.510 -9.210
169 HE21 GLN 25 1HE2 GLN 25 -2.570 8.548 -10.158
170 HE22 GLN 25 2HE2 GLN 25 -2.014 8.536 -11.793
171 H THR 26 H THR 26 -3.727 5.792 -7.222
172 HA THR 26 HA THR 26 -1.072 4.708 -7.116
173 HB THR 26 HB THR 26 -2.440 6.757 -5.364
174 HG1 THR 26 HG1 THR 26 -0.673 6.920 -7.587
175 HG21 THR 26 3HG2 THR 26 -0.630 6.865 -4.051
176 HG22 THR 26 1HG2 THR 26 0.470 6.787 -5.427
177 HG23 THR 26 2HG2 THR 26 -0.178 5.302 -4.730
178 H LEU 27 H LEU 27 -3.771 4.870 -4.792
179 HA LEU 27 HA LEU 27 -2.620 3.432 -2.725
180 HB2 LEU 27 1HB LEU 27 -4.654 4.521 -2.295
181 HB3 LEU 27 2HB LEU 27 -5.462 3.719 -3.640
182 HG LEU 27 HG LEU 27 -5.511 1.633 -2.418
183 HD11 LEU 27 1HD1 LEU 27 -3.364 1.948 -1.229
184 HD12 LEU 27 2HD1 LEU 27 -4.673 1.416 -0.174
185 HD13 LEU 27 3HD1 LEU 27 -4.160 3.103 -0.160
186 HD21 LEU 27 3HD2 LEU 27 -6.722 2.640 -0.265
187 HD22 LEU 27 1HD2 LEU 27 -7.449 2.677 -1.872
188 HD23 LEU 27 2HD2 LEU 27 -6.633 4.108 -1.240
189 H LYS 28 H LYS 28 -4.401 2.243 -5.544
190 HA LYS 28 HA LYS 28 -4.587 -0.440 -4.901
191 HB2 LYS 28 1HB LYS 28 -4.453 1.095 -7.446
192 HB3 LYS 28 2HB LYS 28 -4.220 -0.646 -7.541
193 HG2 LYS 28 1HG LYS 28 -6.372 -0.998 -6.443
194 HG3 LYS 28 2HG LYS 28 -6.606 0.748 -6.340
195 HD2 LYS 28 1HD LYS 28 -6.679 0.941 -8.729
196 HD3 LYS 28 2HD LYS 28 -6.215 -0.751 -8.928
197 HE2 LYS 28 1HE LYS 28 -8.666 -0.109 -7.360
198 HE3 LYS 28 2HE LYS 28 -8.730 0.016 -9.117
199 HZ1 LYS 28 3HZ LYS 28 -7.869 -2.403 -7.624
200 HZ2 LYS 28 1HZ LYS 28 -8.049 -2.269 -9.301
201 HZ3 LYS 28 2HZ LYS 28 -9.406 -2.178 -8.296
202 H SER 29 H SER 29 -1.834 1.383 -6.070
203 HA SER 29 HA SER 29 -0.220 -0.956 -6.546
204 HB2 SER 29 1HB SER 29 0.212 2.001 -6.693
205 HB3 SER 29 2HB SER 29 1.618 0.939 -6.612
206 HG SER 29 HG SER 29 0.478 -0.220 -8.413
207 H HIS 30 H HIS 30 -0.926 1.114 -3.885
208 HA HIS 30 HA HIS 30 1.425 0.646 -2.361
209 HB2 HIS 30 1HB HIS 30 0.333 2.477 -1.528
210 HB3 HIS 30 2HB HIS 30 -1.263 1.808 -1.855
211 HD1 HIS 30 HD1 HIS 30 1.603 1.149 0.566
212 HD2 HIS 30 HD2 HIS 30 -2.546 1.034 0.391
213 HE1 HIS 30 HE1 HIS 30 0.849 0.538 2.886
214 H LEU 31 H LEU 31 -1.356 -1.235 -3.037
215 HA LEU 31 HA LEU 31 -1.308 -2.859 -0.688
216 HB2 LEU 31 1HB LEU 31 -2.410 -3.835 -3.280
217 HB3 LEU 31 2HB LEU 31 -3.022 -4.065 -1.643
218 HG LEU 31 HG LEU 31 -3.340 -1.689 -3.450
219 HD11 LEU 31 1HD1 LEU 31 -5.682 -2.376 -2.055
220 HD12 LEU 31 2HD1 LEU 31 -4.967 -3.887 -2.614
221 HD13 LEU 31 3HD1 LEU 31 -5.332 -2.605 -3.768
222 HD21 LEU 31 3HD2 LEU 31 -4.565 -0.780 -1.317
223 HD22 LEU 31 1HD2 LEU 31 -2.835 -0.520 -1.542
224 HD23 LEU 31 2HD2 LEU 31 -3.402 -1.803 -0.472
225 H ARG 32 H ARG 32 0.742 -2.628 -3.319
226 HA ARG 32 HA ARG 32 1.405 -5.317 -3.819
227 HB2 ARG 32 1HB ARG 32 2.695 -2.681 -4.293
228 HB3 ARG 32 2HB ARG 32 3.724 -4.104 -4.374
229 HG2 ARG 32 1HG ARG 32 3.038 -3.776 -6.569
230 HG3 ARG 32 2HG ARG 32 1.970 -5.051 -5.979
231 HD2 ARG 32 1HD ARG 32 0.403 -3.062 -5.358
232 HD3 ARG 32 2HD ARG 32 1.370 -2.177 -6.537
233 HE ARG 32 HE ARG 32 -0.639 -4.106 -7.093
234 HH11 ARG 32 1HH1 ARG 32 2.425 -2.892 -8.215
235 HH12 ARG 32 2HH1 ARG 32 2.149 -3.348 -9.864
236 HH21 ARG 32 1HH2 ARG 32 -1.013 -4.711 -9.260
237 HH22 ARG 32 2HH2 ARG 32 0.193 -4.381 -10.457
238 H ILE 33 H ILE 33 2.741 -2.950 -1.543
239 HA ILE 33 HA ILE 33 4.772 -4.640 -0.524
240 HB ILE 33 HB ILE 33 5.146 -3.022 1.141
241 HG12 ILE 33 1HG1 ILE 33 2.362 -1.950 0.634
242 HG13 ILE 33 2HG1 ILE 33 2.815 -2.969 1.996
243 HG21 ILE 33 1HG2 ILE 33 5.877 -1.759 -0.549
244 HG22 ILE 33 2HG2 ILE 33 4.460 -2.111 -1.537
245 HG23 ILE 33 3HG2 ILE 33 4.396 -0.827 -0.331
246 HD11 ILE 33 3HD1 ILE 33 4.623 -0.952 2.200
247 HD12 ILE 33 1HD1 ILE 33 3.209 -0.107 1.571
248 HD13 ILE 33 2HD1 ILE 33 3.089 -1.033 3.068
249 H HIS 34 H HIS 34 1.396 -4.552 -0.044
250 HA HIS 34 HA HIS 34 1.419 -5.751 2.579
251 HB2 HIS 34 1HB HIS 34 -0.744 -5.122 0.582
252 HB3 HIS 34 2HB HIS 34 -1.079 -6.069 2.028
253 HD1 HIS 34 HD1 HIS 34 0.538 -4.497 4.099
254 HD2 HIS 34 HD2 HIS 34 -1.869 -2.729 1.211
255 HE1 HIS 34 HE1 HIS 34 -0.045 -2.225 5.008
256 H THR 35 H THR 35 0.387 -6.847 -0.654
257 HA THR 35 HA THR 35 0.452 -9.614 0.264
258 HB THR 35 HB THR 35 -1.472 -8.979 -1.067
259 HG1 THR 35 HG1 THR 35 -1.408 -10.840 -2.092
260 HG21 THR 35 3HG2 THR 35 0.516 -8.306 -3.240
261 HG22 THR 35 1HG2 THR 35 -0.470 -7.151 -2.344
262 HG23 THR 35 2HG2 THR 35 -1.239 -8.319 -3.420
263 H GLY 36 H GLY 36 2.114 -10.938 -0.086
264 HA2 GLY 36 1HA GLY 36 3.630 -11.120 -2.414
265 HA3 GLY 36 2HA GLY 36 4.499 -10.046 -1.328
266 H SER 37 H SER 37 4.940 -10.903 0.875
267 HA SER 37 HA SER 37 4.800 -13.687 1.400
268 HB2 SER 37 1HB SER 37 6.555 -13.645 -0.401
269 HB3 SER 37 2HB SER 37 7.558 -12.676 0.677
270 HG SER 37 HG SER 37 6.503 -15.193 1.425
271 H GLY 38 H GLY 38 5.751 -14.264 3.440
272 HA2 GLY 38 1HA GLY 38 5.343 -12.657 5.541
273 HA3 GLY 38 2HA GLY 38 6.642 -13.841 5.545
274 HA PRO 39 HA PRO 39 8.124 -9.259 5.531
275 HB2 PRO 39 1HB PRO 39 8.206 -8.728 8.193
276 HB3 PRO 39 2HB PRO 39 6.804 -8.357 7.182
277 HG2 PRO 39 1HG PRO 39 7.263 -10.688 9.004
278 HG3 PRO 39 2HG PRO 39 5.801 -9.708 8.787
279 HD2 PRO 39 1HD PRO 39 6.108 -12.140 7.637
280 HD3 PRO 39 2HD PRO 39 5.177 -10.834 6.875
281 H SER 40 H SER 40 10.241 -8.608 6.173
282 HA SER 40 HA SER 40 12.019 -10.835 6.607
283 HB2 SER 40 1HB SER 40 12.404 -7.915 6.001
284 HB3 SER 40 2HB SER 40 13.770 -8.920 6.487
285 HG SER 40 HG SER 40 13.770 -9.803 4.582
286 H SER 41 H SER 41 11.467 -7.722 8.256
287 HA SER 41 HA SER 41 12.939 -8.638 10.580
288 HB2 SER 41 1HB SER 41 13.083 -6.278 9.718
289 HB3 SER 41 2HB SER 41 11.414 -6.048 10.239
290 HG SER 41 HG SER 41 12.216 -6.745 12.373
291 H GLY 42 H GLY 42 11.797 -10.213 11.613
292 HA2 GLY 42 1HA GLY 42 8.991 -10.193 11.983
293 HA3 GLY 42 2HA GLY 42 10.138 -11.189 12.866
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -14.228 33.937 -8.818
2 HA2 GLY 1 1HA GLY 1 -13.242 33.937 -11.199
3 HA3 GLY 1 2HA GLY 1 -12.339 34.820 -9.976
4 H SER 2 H SER 2 -10.252 34.363 -9.850
5 HA SER 2 HA SER 2 -8.869 32.636 -11.438
6 HB2 SER 2 1HB SER 2 -8.183 33.562 -8.642
7 HB3 SER 2 2HB SER 2 -7.045 32.728 -9.701
8 HG SER 2 HG SER 2 -6.674 34.590 -10.574
9 H SER 3 H SER 3 -9.101 30.523 -11.702
10 HA SER 3 HA SER 3 -10.219 28.812 -9.719
11 HB2 SER 3 1HB SER 3 -10.635 28.205 -11.974
12 HB3 SER 3 2HB SER 3 -8.926 28.304 -12.398
13 HG SER 3 HG SER 3 -9.338 26.167 -12.147
14 H GLY 4 H GLY 4 -9.110 28.402 -7.908
15 HA2 GLY 4 1HA GLY 4 -6.629 26.948 -8.091
16 HA3 GLY 4 2HA GLY 4 -6.444 28.549 -7.392
17 H SER 5 H SER 5 -7.708 25.344 -6.941
18 HA SER 5 HA SER 5 -8.223 26.000 -4.114
19 HB2 SER 5 1HB SER 5 -9.744 24.135 -5.942
20 HB3 SER 5 2HB SER 5 -9.905 24.098 -4.186
21 HG SER 5 HG SER 5 -11.445 25.449 -5.431
22 H SER 6 H SER 6 -6.966 24.957 -2.729
23 HA SER 6 HA SER 6 -5.256 22.815 -3.663
24 HB2 SER 6 1HB SER 6 -4.236 24.508 -2.273
25 HB3 SER 6 2HB SER 6 -5.435 24.252 -1.006
26 HG SER 6 HG SER 6 -4.553 22.269 -0.579
27 H GLY 7 H GLY 7 -6.479 20.988 -3.923
28 HA2 GLY 7 1HA GLY 7 -7.872 19.994 -1.514
29 HA3 GLY 7 2HA GLY 7 -8.364 19.613 -3.157
30 H GLY 8 H GLY 8 -5.572 19.291 -0.967
31 HA2 GLY 8 1HA GLY 8 -4.850 16.813 -2.378
32 HA3 GLY 8 2HA GLY 8 -3.780 17.745 -1.342
33 H GLU 9 H GLU 9 -6.704 15.738 -1.291
34 HA GLU 9 HA GLU 9 -5.962 14.906 1.437
35 HB2 GLU 9 1HB GLU 9 -8.632 15.466 0.206
36 HB3 GLU 9 2HB GLU 9 -8.511 14.286 1.504
37 HG2 GLU 9 1HG GLU 9 -7.355 17.024 1.819
38 HG3 GLU 9 2HG GLU 9 -9.074 16.731 2.077
39 H LYS 10 H LYS 10 -6.670 12.695 2.013
40 HA LYS 10 HA LYS 10 -6.343 10.899 -0.293
41 HB2 LYS 10 1HB LYS 10 -5.775 10.437 2.641
42 HB3 LYS 10 2HB LYS 10 -5.589 9.223 1.382
43 HG2 LYS 10 1HG LYS 10 -3.443 9.957 1.537
44 HG3 LYS 10 2HG LYS 10 -4.047 11.069 0.306
45 HD2 LYS 10 1HD LYS 10 -4.579 12.663 2.202
46 HD3 LYS 10 2HD LYS 10 -3.641 11.590 3.244
47 HE2 LYS 10 1HE LYS 10 -1.779 11.862 1.490
48 HE3 LYS 10 2HE LYS 10 -2.716 13.240 0.914
49 HZ1 LYS 10 3HZ LYS 10 -2.021 14.477 2.606
50 HZ2 LYS 10 1HZ LYS 10 -0.885 13.269 2.936
51 HZ3 LYS 10 2HZ LYS 10 -2.367 13.280 3.749
52 HA PRO 11 HA PRO 11 -10.726 10.322 1.149
53 HB2 PRO 11 1HB PRO 11 -11.797 10.322 -1.346
54 HB3 PRO 11 2HB PRO 11 -11.525 11.801 -0.417
55 HG2 PRO 11 1HG PRO 11 -9.860 10.599 -2.595
56 HG3 PRO 11 2HG PRO 11 -10.304 12.295 -2.333
57 HD2 PRO 11 1HD PRO 11 -7.884 11.299 -1.638
58 HD3 PRO 11 2HD PRO 11 -8.674 12.606 -0.733
59 H TYR 12 H TYR 12 -8.363 8.583 -0.335
60 HA TYR 12 HA TYR 12 -10.117 6.243 -0.708
61 HB2 TYR 12 1HB TYR 12 -7.508 6.902 -2.090
62 HB3 TYR 12 2HB TYR 12 -8.370 5.377 -2.261
63 HD1 TYR 12 HD1 TYR 12 -8.555 9.007 -2.938
64 HD2 TYR 12 HD2 TYR 12 -10.226 5.175 -3.728
65 HE1 TYR 12 HE1 TYR 12 -9.879 9.970 -4.773
66 HE2 TYR 12 HE2 TYR 12 -11.554 6.127 -5.566
67 HH TYR 12 HH TYR 12 -10.958 9.103 -6.917
68 HA PRO 13 HA PRO 13 -7.484 5.265 2.923
69 HB2 PRO 13 1HB PRO 13 -9.384 3.765 4.153
70 HB3 PRO 13 2HB PRO 13 -9.305 5.525 4.300
71 HG2 PRO 13 1HG PRO 13 -11.045 3.847 2.533
72 HG3 PRO 13 2HG PRO 13 -11.470 5.282 3.485
73 HD2 PRO 13 1HD PRO 13 -11.000 5.388 0.820
74 HD3 PRO 13 2HD PRO 13 -10.614 6.733 1.912
75 H CYS 14 H CYS 14 -6.364 3.396 3.360
76 HA CYS 14 HA CYS 14 -6.411 1.360 1.348
77 HB2 CYS 14 1HB CYS 14 -4.274 1.941 2.218
78 HB3 CYS 14 2HB CYS 14 -4.814 1.727 3.880
79 H GLU 15 H GLU 15 -6.508 -0.968 1.868
80 HA GLU 15 HA GLU 15 -8.709 -1.479 3.738
81 HB2 GLU 15 1HB GLU 15 -7.801 -3.618 1.904
82 HB3 GLU 15 2HB GLU 15 -9.431 -3.133 2.351
83 HG2 GLU 15 1HG GLU 15 -7.635 -1.977 0.258
84 HG3 GLU 15 2HG GLU 15 -9.273 -2.608 0.093
85 H ILE 16 H ILE 16 -5.467 -2.569 2.876
86 HA ILE 16 HA ILE 16 -5.322 -4.699 4.729
87 HB ILE 16 HB ILE 16 -3.003 -3.072 3.689
88 HG12 ILE 16 1HG1 ILE 16 -3.030 -5.221 2.081
89 HG13 ILE 16 2HG1 ILE 16 -4.758 -5.083 2.382
90 HG21 ILE 16 1HG2 ILE 16 -2.094 -4.439 5.293
91 HG22 ILE 16 2HG2 ILE 16 -3.290 -5.710 5.043
92 HG23 ILE 16 3HG2 ILE 16 -1.988 -5.482 3.875
93 HD11 ILE 16 3HD1 ILE 16 -4.954 -3.310 1.053
94 HD12 ILE 16 1HD1 ILE 16 -3.501 -2.548 1.700
95 HD13 ILE 16 2HD1 ILE 16 -3.368 -3.770 0.436
96 H CYS 17 H CYS 17 -3.424 -1.692 4.904
97 HA CYS 17 HA CYS 17 -3.374 -1.914 7.804
98 HB2 CYS 17 1HB CYS 17 -1.748 -0.054 7.685
99 HB3 CYS 17 2HB CYS 17 -1.276 -1.419 6.678
100 H GLY 18 H GLY 18 -4.405 0.416 5.328
101 HA2 GLY 18 1HA GLY 18 -6.661 1.407 5.870
102 HA3 GLY 18 2HA GLY 18 -5.948 1.813 7.424
103 H THR 19 H THR 19 -3.349 2.386 5.965
104 HA THR 19 HA THR 19 -3.404 5.109 5.909
105 HB THR 19 HB THR 19 -1.724 3.195 4.303
106 HG1 THR 19 HG1 THR 19 -1.171 3.217 6.444
107 HG21 THR 19 3HG2 THR 19 -0.262 5.096 3.745
108 HG22 THR 19 1HG2 THR 19 -1.448 6.200 4.439
109 HG23 THR 19 2HG2 THR 19 -1.856 5.254 3.008
110 H ARG 20 H ARG 20 -4.244 6.648 4.654
111 HA ARG 20 HA ARG 20 -5.694 5.858 2.259
112 HB2 ARG 20 1HB ARG 20 -5.543 8.625 3.447
113 HB3 ARG 20 2HB ARG 20 -6.780 7.969 2.383
114 HG2 ARG 20 1HG ARG 20 -7.846 6.869 4.067
115 HG3 ARG 20 2HG ARG 20 -6.368 6.647 5.006
116 HD2 ARG 20 1HD ARG 20 -7.443 9.400 4.603
117 HD3 ARG 20 2HD ARG 20 -8.214 8.342 5.783
118 HE ARG 20 HE ARG 20 -5.349 8.533 6.046
119 HH11 ARG 20 1HH1 ARG 20 -8.429 9.876 6.959
120 HH12 ARG 20 2HH1 ARG 20 -7.827 10.604 8.411
121 HH21 ARG 20 1HH2 ARG 20 -4.546 9.486 7.956
122 HH22 ARG 20 2HH2 ARG 20 -5.618 10.382 8.977
123 H PHE 21 H PHE 21 -5.494 7.048 0.259
124 HA PHE 21 HA PHE 21 -2.870 8.319 -0.124
125 HB2 PHE 21 1HB PHE 21 -4.138 6.168 -1.819
126 HB3 PHE 21 2HB PHE 21 -2.820 7.183 -2.395
127 HD1 PHE 21 HD2 PHE 21 -3.678 5.016 0.518
128 HD2 PHE 21 HD1 PHE 21 -0.676 6.405 -2.161
129 HE1 PHE 21 HE2 PHE 21 -2.053 3.484 1.549
130 HE2 PHE 21 HE1 PHE 21 0.954 4.874 -1.134
131 HZ PHE 21 HZ PHE 21 0.266 3.411 0.724
132 H ARG 22 H ARG 22 -2.853 10.111 -1.376
133 HA ARG 22 HA ARG 22 -4.950 11.739 -1.745
134 HB2 ARG 22 1HB ARG 22 -2.512 12.183 -2.313
135 HB3 ARG 22 2HB ARG 22 -2.844 11.470 -3.886
136 HG2 ARG 22 1HG ARG 22 -4.556 13.182 -4.287
137 HG3 ARG 22 2HG ARG 22 -4.174 13.909 -2.725
138 HD2 ARG 22 1HD ARG 22 -1.775 14.073 -3.591
139 HD3 ARG 22 2HD ARG 22 -2.455 13.733 -5.182
140 HE ARG 22 HE ARG 22 -3.931 15.821 -4.143
141 HH11 ARG 22 1HH1 ARG 22 -0.606 15.215 -4.978
142 HH12 ARG 22 2HH1 ARG 22 -0.266 16.868 -5.367
143 HH21 ARG 22 1HH2 ARG 22 -3.496 18.001 -4.653
144 HH22 ARG 22 2HH2 ARG 22 -1.910 18.453 -5.181
145 H HIS 23 H HIS 23 -3.842 9.448 -4.243
146 HA HIS 23 HA HIS 23 -6.557 9.543 -5.388
147 HB2 HIS 23 1HB HIS 23 -3.871 9.536 -6.704
148 HB3 HIS 23 2HB HIS 23 -5.223 8.766 -7.528
149 HD2 HIS 23 HD2 HIS 23 -5.952 12.047 -5.581
150 HE1 HIS 23 HE1 HIS 23 -5.976 12.930 -9.730
151 HE2 HIS 23 HE2 HIS 23 -6.375 13.826 -7.410
152 H LEU 24 H LEU 24 -7.289 7.571 -6.426
153 HA LEU 24 HA LEU 24 -6.753 5.274 -4.839
154 HB2 LEU 24 1HB LEU 24 -8.938 5.873 -5.940
155 HB3 LEU 24 2HB LEU 24 -8.222 5.354 -7.465
156 HG LEU 24 HG LEU 24 -8.208 3.108 -6.833
157 HD11 LEU 24 1HD1 LEU 24 -8.247 4.192 -4.068
158 HD12 LEU 24 2HD1 LEU 24 -7.268 2.902 -4.767
159 HD13 LEU 24 3HD1 LEU 24 -8.956 2.602 -4.351
160 HD21 LEU 24 3HD2 LEU 24 -10.492 2.638 -6.069
161 HD22 LEU 24 1HD2 LEU 24 -10.457 3.900 -7.301
162 HD23 LEU 24 2HD2 LEU 24 -10.678 4.330 -5.605
163 H GLN 25 H GLN 25 -6.279 5.881 -8.324
164 HA GLN 25 HA GLN 25 -5.077 3.644 -9.179
165 HB2 GLN 25 1HB GLN 25 -3.668 5.037 -10.677
166 HB3 GLN 25 2HB GLN 25 -5.353 5.538 -10.646
167 HG2 GLN 25 1HG GLN 25 -4.900 7.499 -9.562
168 HG3 GLN 25 2HG GLN 25 -3.438 6.869 -8.804
169 HE21 GLN 25 1HE2 GLN 25 -2.653 9.006 -9.562
170 HE22 GLN 25 2HE2 GLN 25 -1.994 9.101 -11.156
171 H THR 26 H THR 26 -3.686 5.950 -6.958
172 HA THR 26 HA THR 26 -1.054 4.774 -7.039
173 HB THR 26 HB THR 26 -2.223 6.782 -5.102
174 HG1 THR 26 HG1 THR 26 -0.380 7.286 -7.200
175 HG21 THR 26 3HG2 THR 26 0.697 6.532 -5.568
176 HG22 THR 26 1HG2 THR 26 -0.071 5.295 -4.575
177 HG23 THR 26 2HG2 THR 26 -0.181 6.993 -4.110
178 H LEU 27 H LEU 27 -3.814 4.769 -4.819
179 HA LEU 27 HA LEU 27 -2.676 3.348 -2.715
180 HB2 LEU 27 1HB LEU 27 -4.802 4.388 -2.441
181 HB3 LEU 27 2HB LEU 27 -5.503 3.431 -3.745
182 HG LEU 27 HG LEU 27 -5.403 1.435 -2.379
183 HD11 LEU 27 1HD1 LEU 27 -3.363 1.901 -1.149
184 HD12 LEU 27 2HD1 LEU 27 -4.684 1.539 -0.039
185 HD13 LEU 27 3HD1 LEU 27 -4.166 3.208 -0.278
186 HD21 LEU 27 3HD2 LEU 27 -7.031 3.660 -1.906
187 HD22 LEU 27 1HD2 LEU 27 -6.589 3.045 -0.313
188 HD23 LEU 27 2HD2 LEU 27 -7.362 1.979 -1.486
189 H LYS 28 H LYS 28 -4.327 2.153 -5.617
190 HA LYS 28 HA LYS 28 -4.374 -0.555 -5.040
191 HB2 LYS 28 1HB LYS 28 -4.052 0.900 -7.662
192 HB3 LYS 28 2HB LYS 28 -4.226 -0.848 -7.566
193 HG2 LYS 28 1HG LYS 28 -6.417 -0.714 -6.806
194 HG3 LYS 28 2HG LYS 28 -6.238 0.965 -6.293
195 HD2 LYS 28 1HD LYS 28 -6.357 1.769 -8.484
196 HD3 LYS 28 2HD LYS 28 -5.986 0.190 -9.181
197 HE2 LYS 28 1HE LYS 28 -8.177 -0.622 -8.283
198 HE3 LYS 28 2HE LYS 28 -8.540 1.041 -7.824
199 HZ1 LYS 28 3HZ LYS 28 -9.534 0.573 -9.934
200 HZ2 LYS 28 1HZ LYS 28 -8.065 0.025 -10.573
201 HZ3 LYS 28 2HZ LYS 28 -8.260 1.659 -10.181
202 H SER 29 H SER 29 -1.717 1.454 -6.112
203 HA SER 29 HA SER 29 0.028 -0.777 -6.650
204 HB2 SER 29 1HB SER 29 0.303 2.204 -6.695
205 HB3 SER 29 2HB SER 29 1.759 1.211 -6.650
206 HG SER 29 HG SER 29 -0.241 1.343 -8.629
207 H HIS 30 H HIS 30 -0.887 1.060 -3.915
208 HA HIS 30 HA HIS 30 1.509 0.654 -2.391
209 HB2 HIS 30 1HB HIS 30 0.388 2.485 -1.574
210 HB3 HIS 30 2HB HIS 30 -1.199 1.781 -1.872
211 HD1 HIS 30 HD1 HIS 30 1.722 1.202 0.502
212 HD2 HIS 30 HD2 HIS 30 -2.425 0.969 0.394
213 HE1 HIS 30 HE1 HIS 30 1.023 0.576 2.835
214 H LEU 31 H LEU 31 -1.439 -1.101 -2.941
215 HA LEU 31 HA LEU 31 -1.260 -2.813 -0.673
216 HB2 LEU 31 1HB LEU 31 -2.606 -3.636 -3.206
217 HB3 LEU 31 2HB LEU 31 -3.085 -3.935 -1.537
218 HG LEU 31 HG LEU 31 -3.488 -1.472 -3.201
219 HD11 LEU 31 1HD1 LEU 31 -5.523 -2.341 -3.343
220 HD12 LEU 31 2HD1 LEU 31 -5.701 -2.092 -1.607
221 HD13 LEU 31 3HD1 LEU 31 -5.104 -3.635 -2.219
222 HD21 LEU 31 3HD2 LEU 31 -2.642 -0.487 -1.260
223 HD22 LEU 31 1HD2 LEU 31 -3.381 -1.698 -0.211
224 HD23 LEU 31 2HD2 LEU 31 -4.388 -0.490 -1.010
225 H ARG 32 H ARG 32 0.678 -2.549 -3.340
226 HA ARG 32 HA ARG 32 1.154 -5.259 -4.008
227 HB2 ARG 32 1HB ARG 32 2.653 -2.696 -4.420
228 HB3 ARG 32 2HB ARG 32 3.420 -4.231 -4.803
229 HG2 ARG 32 1HG ARG 32 2.326 -3.093 -6.732
230 HG3 ARG 32 2HG ARG 32 1.770 -4.742 -6.436
231 HD2 ARG 32 1HD ARG 32 0.308 -2.451 -5.201
232 HD3 ARG 32 2HD ARG 32 0.054 -2.822 -6.906
233 HE ARG 32 HE ARG 32 -1.007 -4.236 -4.699
234 HH11 ARG 32 1HH1 ARG 32 0.334 -4.724 -7.874
235 HH12 ARG 32 2HH1 ARG 32 -0.534 -6.198 -8.156
236 HH21 ARG 32 1HH2 ARG 32 -2.154 -6.174 -5.058
237 HH22 ARG 32 2HH2 ARG 32 -1.949 -7.021 -6.554
238 H ILE 33 H ILE 33 2.501 -3.093 -1.594
239 HA ILE 33 HA ILE 33 4.616 -4.868 -0.822
240 HB ILE 33 HB ILE 33 5.147 -3.326 0.875
241 HG12 ILE 33 1HG1 ILE 33 2.370 -2.168 0.554
242 HG13 ILE 33 2HG1 ILE 33 2.907 -3.183 1.888
243 HG21 ILE 33 1HG2 ILE 33 4.339 -2.279 -1.729
244 HG22 ILE 33 2HG2 ILE 33 4.450 -1.049 -0.471
245 HG23 ILE 33 3HG2 ILE 33 5.845 -2.064 -0.836
246 HD11 ILE 33 3HD1 ILE 33 3.270 -1.235 2.916
247 HD12 ILE 33 1HD1 ILE 33 4.751 -1.199 1.960
248 HD13 ILE 33 2HD1 ILE 33 3.321 -0.330 1.403
249 H HIS 34 H HIS 34 1.298 -4.376 0.108
250 HA HIS 34 HA HIS 34 1.393 -5.711 2.607
251 HB2 HIS 34 1HB HIS 34 -0.819 -5.013 0.695
252 HB3 HIS 34 2HB HIS 34 -1.138 -5.997 2.121
253 HD1 HIS 34 HD1 HIS 34 0.239 -4.651 4.340
254 HD2 HIS 34 HD2 HIS 34 -1.547 -2.487 1.276
255 HE1 HIS 34 HE1 HIS 34 -0.188 -2.363 5.293
256 H THR 35 H THR 35 0.128 -6.813 -0.543
257 HA THR 35 HA THR 35 0.456 -9.585 0.376
258 HB THR 35 HB THR 35 -1.800 -8.887 -0.441
259 HG1 THR 35 HG1 THR 35 -1.215 -11.075 -0.569
260 HG21 THR 35 3HG2 THR 35 -0.775 -7.406 -2.274
261 HG22 THR 35 1HG2 THR 35 -2.214 -8.341 -2.682
262 HG23 THR 35 2HG2 THR 35 -0.624 -8.896 -3.205
263 H GLY 36 H GLY 36 2.089 -10.757 -0.383
264 HA2 GLY 36 1HA GLY 36 3.077 -10.275 -3.094
265 HA3 GLY 36 2HA GLY 36 4.225 -10.097 -1.776
266 H SER 37 H SER 37 3.919 -12.045 -4.087
267 HA SER 37 HA SER 37 4.213 -14.484 -2.464
268 HB2 SER 37 1HB SER 37 2.771 -14.150 -5.095
269 HB3 SER 37 2HB SER 37 3.301 -15.723 -4.498
270 HG SER 37 HG SER 37 2.085 -14.815 -2.481
271 H GLY 38 H GLY 38 6.328 -12.795 -3.162
272 HA2 GLY 38 1HA GLY 38 7.680 -14.293 -5.317
273 HA3 GLY 38 2HA GLY 38 8.079 -12.648 -4.844
274 HA PRO 39 HA PRO 39 10.853 -15.834 -2.718
275 HB2 PRO 39 1HB PRO 39 13.167 -15.150 -3.962
276 HB3 PRO 39 2HB PRO 39 12.069 -16.386 -4.588
277 HG2 PRO 39 1HG PRO 39 12.359 -13.520 -5.405
278 HG3 PRO 39 2HG PRO 39 12.161 -14.959 -6.422
279 HD2 PRO 39 1HD PRO 39 10.108 -13.291 -5.845
280 HD3 PRO 39 2HD PRO 39 9.881 -15.034 -6.092
281 H SER 40 H SER 40 11.239 -15.043 -0.750
282 HA SER 40 HA SER 40 11.624 -12.344 -0.123
283 HB2 SER 40 1HB SER 40 12.043 -13.058 2.110
284 HB3 SER 40 2HB SER 40 10.896 -14.218 1.440
285 HG SER 40 HG SER 40 13.087 -15.314 0.853
286 H SER 41 H SER 41 13.651 -11.709 1.286
287 HA SER 41 HA SER 41 15.747 -11.125 -0.314
288 HB2 SER 41 1HB SER 41 17.146 -10.938 1.746
289 HB3 SER 41 2HB SER 41 15.565 -10.175 1.907
290 HG SER 41 HG SER 41 16.466 -12.619 2.997
291 H GLY 42 H GLY 42 17.983 -11.930 -0.398
292 HA2 GLY 42 1HA GLY 42 18.060 -14.655 -1.161
293 HA3 GLY 42 2HA GLY 42 19.450 -13.591 -1.004
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -1.714 21.873 -10.520
2 HA2 GLY 1 1HA GLY 1 -3.316 22.031 -12.439
3 HA3 GLY 1 2HA GLY 1 -3.531 20.298 -12.239
4 H SER 2 H SER 2 -5.813 20.838 -12.043
5 HA SER 2 HA SER 2 -6.488 21.773 -9.330
6 HB2 SER 2 1HB SER 2 -7.214 23.161 -11.438
7 HB3 SER 2 2HB SER 2 -8.460 21.922 -11.583
8 HG SER 2 HG SER 2 -9.471 22.796 -9.967
9 H SER 3 H SER 3 -8.081 20.665 -8.196
10 HA SER 3 HA SER 3 -8.447 17.906 -9.036
11 HB2 SER 3 1HB SER 3 -9.130 17.466 -6.782
12 HB3 SER 3 2HB SER 3 -7.741 18.549 -6.694
13 HG SER 3 HG SER 3 -10.477 19.169 -6.330
14 H GLY 4 H GLY 4 -10.645 16.903 -8.531
15 HA2 GLY 4 1HA GLY 4 -12.605 18.254 -10.119
16 HA3 GLY 4 2HA GLY 4 -12.809 16.711 -9.304
17 H SER 5 H SER 5 -15.007 17.870 -9.108
18 HA SER 5 HA SER 5 -15.319 19.981 -7.261
19 HB2 SER 5 1HB SER 5 -17.046 19.309 -8.920
20 HB3 SER 5 2HB SER 5 -17.331 17.838 -7.989
21 HG SER 5 HG SER 5 -17.493 20.350 -6.737
22 H SER 6 H SER 6 -15.610 16.460 -6.897
23 HA SER 6 HA SER 6 -15.545 16.835 -3.975
24 HB2 SER 6 1HB SER 6 -16.692 14.696 -3.771
25 HB3 SER 6 2HB SER 6 -17.607 15.755 -4.844
26 HG SER 6 HG SER 6 -17.436 13.695 -5.750
27 H GLY 7 H GLY 7 -13.498 16.606 -3.318
28 HA2 GLY 7 1HA GLY 7 -12.073 14.168 -4.163
29 HA3 GLY 7 2HA GLY 7 -11.252 15.721 -4.170
30 H GLY 8 H GLY 8 -10.282 16.406 -2.350
31 HA2 GLY 8 1HA GLY 8 -10.347 16.614 0.089
32 HA3 GLY 8 2HA GLY 8 -10.909 14.950 0.143
33 H GLU 9 H GLU 9 -8.911 15.327 1.743
34 HA GLU 9 HA GLU 9 -6.391 14.841 0.354
35 HB2 GLU 9 1HB GLU 9 -7.110 15.438 3.213
36 HB3 GLU 9 2HB GLU 9 -5.510 14.856 2.776
37 HG2 GLU 9 1HG GLU 9 -4.943 16.791 1.700
38 HG3 GLU 9 2HG GLU 9 -6.615 17.201 1.322
39 H LYS 10 H LYS 10 -6.316 12.781 -0.359
40 HA LYS 10 HA LYS 10 -6.106 10.517 -0.311
41 HB2 LYS 10 1HB LYS 10 -5.964 10.725 2.694
42 HB3 LYS 10 2HB LYS 10 -5.273 9.478 1.665
43 HG2 LYS 10 1HG LYS 10 -3.542 10.849 0.948
44 HG3 LYS 10 2HG LYS 10 -4.389 12.325 1.417
45 HD2 LYS 10 1HD LYS 10 -2.801 12.121 3.088
46 HD3 LYS 10 2HD LYS 10 -4.210 11.353 3.821
47 HE2 LYS 10 1HE LYS 10 -2.265 9.989 4.219
48 HE3 LYS 10 2HE LYS 10 -3.338 9.155 3.097
49 HZ1 LYS 10 3HZ LYS 10 -0.658 10.129 2.693
50 HZ2 LYS 10 1HZ LYS 10 -1.722 10.542 1.444
51 HZ3 LYS 10 2HZ LYS 10 -1.505 8.919 1.869
52 HA PRO 11 HA PRO 11 -10.593 10.344 1.170
53 HB2 PRO 11 1HB PRO 11 -11.745 10.320 -1.288
54 HB3 PRO 11 2HB PRO 11 -11.408 11.810 -0.400
55 HG2 PRO 11 1HG PRO 11 -9.844 10.524 -2.605
56 HG3 PRO 11 2HG PRO 11 -10.239 12.236 -2.365
57 HD2 PRO 11 1HD PRO 11 -7.822 11.196 -1.727
58 HD3 PRO 11 2HD PRO 11 -8.551 12.540 -0.825
59 H TYR 12 H TYR 12 -8.318 8.515 -0.330
60 HA TYR 12 HA TYR 12 -10.138 6.213 -0.608
61 HB2 TYR 12 1HB TYR 12 -7.558 6.780 -2.080
62 HB3 TYR 12 2HB TYR 12 -8.457 5.271 -2.190
63 HD1 TYR 12 HD1 TYR 12 -8.582 8.888 -2.946
64 HD2 TYR 12 HD2 TYR 12 -10.363 5.079 -3.594
65 HE1 TYR 12 HE1 TYR 12 -9.939 9.839 -4.763
66 HE2 TYR 12 HE2 TYR 12 -11.725 6.019 -5.414
67 HH TYR 12 HH TYR 12 -12.605 8.360 -6.032
68 HA PRO 13 HA PRO 13 -7.407 5.263 2.964
69 HB2 PRO 13 1HB PRO 13 -9.310 3.875 4.314
70 HB3 PRO 13 2HB PRO 13 -9.161 5.634 4.400
71 HG2 PRO 13 1HG PRO 13 -11.030 3.970 2.757
72 HG3 PRO 13 2HG PRO 13 -11.364 5.448 3.677
73 HD2 PRO 13 1HD PRO 13 -10.996 5.453 0.994
74 HD3 PRO 13 2HD PRO 13 -10.518 6.817 2.026
75 H CYS 14 H CYS 14 -6.130 3.519 3.020
76 HA CYS 14 HA CYS 14 -6.332 1.418 1.202
77 HB2 CYS 14 1HB CYS 14 -4.206 1.968 2.189
78 HB3 CYS 14 2HB CYS 14 -4.809 1.613 3.805
79 H GLU 15 H GLU 15 -6.535 -0.910 1.695
80 HA GLU 15 HA GLU 15 -8.796 -1.350 3.512
81 HB2 GLU 15 1HB GLU 15 -9.391 -2.074 1.363
82 HB3 GLU 15 2HB GLU 15 -7.809 -2.779 1.062
83 HG2 GLU 15 1HG GLU 15 -8.293 -4.702 2.174
84 HG3 GLU 15 2HG GLU 15 -9.429 -3.915 3.269
85 H ILE 16 H ILE 16 -5.569 -2.508 2.724
86 HA ILE 16 HA ILE 16 -5.548 -4.705 4.510
87 HB ILE 16 HB ILE 16 -3.212 -3.100 3.466
88 HG12 ILE 16 1HG1 ILE 16 -3.145 -5.361 2.037
89 HG13 ILE 16 2HG1 ILE 16 -4.879 -5.290 2.333
90 HG21 ILE 16 1HG2 ILE 16 -3.382 -5.761 4.855
91 HG22 ILE 16 2HG2 ILE 16 -1.983 -5.268 3.902
92 HG23 ILE 16 3HG2 ILE 16 -2.451 -4.340 5.326
93 HD11 ILE 16 3HD1 ILE 16 -4.013 -2.717 1.511
94 HD12 ILE 16 1HD1 ILE 16 -3.365 -3.913 0.389
95 HD13 ILE 16 2HD1 ILE 16 -5.101 -3.835 0.690
96 H CYS 17 H CYS 17 -3.571 -1.761 4.827
97 HA CYS 17 HA CYS 17 -3.647 -2.058 7.724
98 HB2 CYS 17 1HB CYS 17 -1.899 -0.327 7.734
99 HB3 CYS 17 2HB CYS 17 -1.476 -1.663 6.670
100 H GLY 18 H GLY 18 -4.369 0.415 5.271
101 HA2 GLY 18 1HA GLY 18 -6.635 1.484 5.787
102 HA3 GLY 18 2HA GLY 18 -5.885 1.894 7.323
103 H THR 19 H THR 19 -3.269 2.351 5.963
104 HA THR 19 HA THR 19 -3.134 5.026 5.810
105 HB THR 19 HB THR 19 -1.698 3.052 4.035
106 HG1 THR 19 HG1 THR 19 -0.900 4.500 6.361
107 HG21 THR 19 3HG2 THR 19 -1.188 6.005 4.403
108 HG22 THR 19 1HG2 THR 19 -1.634 5.186 2.907
109 HG23 THR 19 2HG2 THR 19 -0.061 4.881 3.643
110 H ARG 20 H ARG 20 -4.067 6.590 4.674
111 HA ARG 20 HA ARG 20 -5.638 5.927 2.330
112 HB2 ARG 20 1HB ARG 20 -5.266 8.680 3.491
113 HB3 ARG 20 2HB ARG 20 -6.617 8.067 2.546
114 HG2 ARG 20 1HG ARG 20 -7.306 6.657 4.391
115 HG3 ARG 20 2HG ARG 20 -5.911 7.183 5.336
116 HD2 ARG 20 1HD ARG 20 -7.597 8.534 6.157
117 HD3 ARG 20 2HD ARG 20 -6.858 9.564 4.931
118 HE ARG 20 HE ARG 20 -8.805 8.391 3.533
119 HH11 ARG 20 1HH1 ARG 20 -8.824 9.894 6.673
120 HH12 ARG 20 2HH1 ARG 20 -10.475 10.410 6.560
121 HH21 ARG 20 1HH2 ARG 20 -10.978 9.063 3.373
122 HH22 ARG 20 2HH2 ARG 20 -11.699 9.936 4.683
123 H PHE 21 H PHE 21 -5.541 7.405 0.413
124 HA PHE 21 HA PHE 21 -2.879 8.486 -0.119
125 HB2 PHE 21 1HB PHE 21 -4.227 6.351 -1.777
126 HB3 PHE 21 2HB PHE 21 -2.880 7.323 -2.360
127 HD1 PHE 21 HD2 PHE 21 -3.829 5.082 0.457
128 HD2 PHE 21 HD1 PHE 21 -0.722 6.580 -2.037
129 HE1 PHE 21 HE2 PHE 21 -2.249 3.498 1.480
130 HE2 PHE 21 HE1 PHE 21 0.863 4.997 -1.019
131 HZ PHE 21 HZ PHE 21 0.101 3.454 0.743
132 H ARG 22 H ARG 22 -2.968 10.359 -1.187
133 HA ARG 22 HA ARG 22 -5.118 11.901 -1.583
134 HB2 ARG 22 1HB ARG 22 -3.835 12.876 -3.621
135 HB3 ARG 22 2HB ARG 22 -3.099 12.958 -2.026
136 HG2 ARG 22 1HG ARG 22 -1.310 12.164 -3.135
137 HG3 ARG 22 2HG ARG 22 -2.102 10.613 -2.852
138 HD2 ARG 22 1HD ARG 22 -3.055 10.622 -5.043
139 HD3 ARG 22 2HD ARG 22 -2.528 12.281 -5.323
140 HE ARG 22 HE ARG 22 -0.977 9.906 -5.659
141 HH11 ARG 22 1HH1 ARG 22 -0.807 13.289 -4.857
142 HH12 ARG 22 2HH1 ARG 22 0.837 13.464 -5.377
143 HH21 ARG 22 1HH2 ARG 22 1.187 10.122 -6.347
144 HH22 ARG 22 2HH2 ARG 22 1.969 11.662 -6.225
145 H HIS 23 H HIS 23 -4.020 9.392 -3.802
146 HA HIS 23 HA HIS 23 -6.593 9.621 -5.212
147 HB2 HIS 23 1HB HIS 23 -3.837 9.310 -6.385
148 HB3 HIS 23 2HB HIS 23 -5.277 8.821 -7.272
149 HD2 HIS 23 HD2 HIS 23 -4.831 12.192 -5.254
150 HE1 HIS 23 HE1 HIS 23 -5.683 13.064 -9.318
151 HE2 HIS 23 HE2 HIS 23 -5.213 14.026 -7.038
152 H LEU 24 H LEU 24 -7.035 7.573 -6.527
153 HA LEU 24 HA LEU 24 -6.696 5.314 -4.736
154 HB2 LEU 24 1HB LEU 24 -8.894 5.890 -5.732
155 HB3 LEU 24 2HB LEU 24 -8.237 5.499 -7.320
156 HG LEU 24 HG LEU 24 -8.213 3.217 -6.888
157 HD11 LEU 24 1HD1 LEU 24 -7.062 3.009 -4.874
158 HD12 LEU 24 2HD1 LEU 24 -8.664 2.368 -4.509
159 HD13 LEU 24 3HD1 LEU 24 -8.228 3.998 -3.994
160 HD21 LEU 24 3HD2 LEU 24 -10.441 2.689 -5.907
161 HD22 LEU 24 1HD2 LEU 24 -10.481 3.939 -7.150
162 HD23 LEU 24 2HD2 LEU 24 -10.589 4.386 -5.447
163 H GLN 25 H GLN 25 -6.284 5.856 -8.240
164 HA GLN 25 HA GLN 25 -5.151 3.589 -9.093
165 HB2 GLN 25 1HB GLN 25 -3.559 5.085 -10.481
166 HB3 GLN 25 2HB GLN 25 -5.295 5.267 -10.701
167 HG2 GLN 25 1HG GLN 25 -4.400 7.441 -10.614
168 HG3 GLN 25 2HG GLN 25 -5.194 7.170 -9.064
169 HE21 GLN 25 1HE2 GLN 25 -2.015 6.275 -10.358
170 HE22 GLN 25 2HE2 GLN 25 -1.102 6.997 -9.083
171 H THR 26 H THR 26 -3.527 6.005 -7.104
172 HA THR 26 HA THR 26 -0.983 4.699 -7.158
173 HB THR 26 HB THR 26 -2.094 6.843 -5.343
174 HG1 THR 26 HG1 THR 26 -0.508 8.084 -6.597
175 HG21 THR 26 3HG2 THR 26 -0.335 6.628 -3.993
176 HG22 THR 26 1HG2 THR 26 0.769 6.724 -5.364
177 HG23 THR 26 2HG2 THR 26 0.120 5.163 -4.863
178 H LEU 27 H LEU 27 -3.705 4.779 -4.900
179 HA LEU 27 HA LEU 27 -2.521 3.351 -2.802
180 HB2 LEU 27 1HB LEU 27 -4.539 4.461 -2.348
181 HB3 LEU 27 2HB LEU 27 -5.363 3.691 -3.702
182 HG LEU 27 HG LEU 27 -5.359 1.562 -2.494
183 HD11 LEU 27 1HD1 LEU 27 -4.086 3.142 -0.264
184 HD12 LEU 27 2HD1 LEU 27 -3.324 1.856 -1.200
185 HD13 LEU 27 3HD1 LEU 27 -4.685 1.487 -0.141
186 HD21 LEU 27 3HD2 LEU 27 -7.359 2.527 -2.051
187 HD22 LEU 27 1HD2 LEU 27 -6.633 4.008 -1.425
188 HD23 LEU 27 2HD2 LEU 27 -6.706 2.565 -0.413
189 H LYS 28 H LYS 28 -4.638 2.161 -5.413
190 HA LYS 28 HA LYS 28 -4.747 -0.493 -4.871
191 HB2 LYS 28 1HB LYS 28 -4.379 0.863 -7.542
192 HB3 LYS 28 2HB LYS 28 -4.726 -0.854 -7.382
193 HG2 LYS 28 1HG LYS 28 -6.873 -0.489 -6.630
194 HG3 LYS 28 2HG LYS 28 -6.509 1.143 -6.064
195 HD2 LYS 28 1HD LYS 28 -6.731 2.063 -8.153
196 HD3 LYS 28 2HD LYS 28 -6.278 0.569 -8.977
197 HE2 LYS 28 1HE LYS 28 -8.461 -0.401 -8.258
198 HE3 LYS 28 2HE LYS 28 -8.903 1.184 -7.625
199 HZ1 LYS 28 3HZ LYS 28 -9.504 1.827 -9.643
200 HZ2 LYS 28 1HZ LYS 28 -9.221 0.259 -10.214
201 HZ3 LYS 28 2HZ LYS 28 -7.995 1.421 -10.291
202 H SER 29 H SER 29 -1.990 1.269 -6.139
203 HA SER 29 HA SER 29 -0.440 -1.101 -6.649
204 HB2 SER 29 1HB SER 29 -0.055 0.902 -7.990
205 HB3 SER 29 2HB SER 29 0.369 1.816 -6.543
206 HG SER 29 HG SER 29 2.223 0.660 -6.347
207 H HIS 30 H HIS 30 -0.871 1.147 -4.022
208 HA HIS 30 HA HIS 30 1.459 0.569 -2.556
209 HB2 HIS 30 1HB HIS 30 0.431 2.434 -1.711
210 HB3 HIS 30 2HB HIS 30 -1.188 1.784 -1.955
211 HD1 HIS 30 HD1 HIS 30 1.766 1.303 0.384
212 HD2 HIS 30 HD2 HIS 30 -2.365 0.870 0.314
213 HE1 HIS 30 HE1 HIS 30 1.115 0.685 2.733
214 H LEU 31 H LEU 31 -1.468 -1.195 -3.029
215 HA LEU 31 HA LEU 31 -1.360 -2.813 -0.701
216 HB2 LEU 31 1HB LEU 31 -2.543 -3.754 -3.280
217 HB3 LEU 31 2HB LEU 31 -3.094 -4.042 -1.631
218 HG LEU 31 HG LEU 31 -3.486 -1.613 -3.348
219 HD11 LEU 31 1HD1 LEU 31 -5.161 -3.352 -3.509
220 HD12 LEU 31 2HD1 LEU 31 -5.827 -1.949 -2.674
221 HD13 LEU 31 3HD1 LEU 31 -5.343 -3.374 -1.755
222 HD21 LEU 31 3HD2 LEU 31 -3.648 -1.815 -0.350
223 HD22 LEU 31 1HD2 LEU 31 -4.505 -0.584 -1.278
224 HD23 LEU 31 2HD2 LEU 31 -2.743 -0.651 -1.319
225 H ARG 32 H ARG 32 0.719 -2.627 -3.268
226 HA ARG 32 HA ARG 32 1.292 -5.351 -3.779
227 HB2 ARG 32 1HB ARG 32 2.623 -2.748 -4.311
228 HB3 ARG 32 2HB ARG 32 3.627 -4.189 -4.380
229 HG2 ARG 32 1HG ARG 32 2.894 -3.813 -6.577
230 HG3 ARG 32 2HG ARG 32 1.912 -5.148 -5.971
231 HD2 ARG 32 1HD ARG 32 0.258 -3.248 -5.294
232 HD3 ARG 32 2HD ARG 32 1.144 -2.309 -6.496
233 HE ARG 32 HE ARG 32 0.069 -3.486 -8.126
234 HH11 ARG 32 1HH1 ARG 32 -0.106 -5.289 -5.153
235 HH12 ARG 32 2HH1 ARG 32 -1.149 -6.510 -5.803
236 HH21 ARG 32 1HH2 ARG 32 -1.303 -5.088 -8.994
237 HH22 ARG 32 2HH2 ARG 32 -1.828 -6.396 -7.988
238 H ILE 33 H ILE 33 2.794 -2.963 -1.619
239 HA ILE 33 HA ILE 33 4.786 -4.658 -0.588
240 HB ILE 33 HB ILE 33 5.137 -3.048 1.117
241 HG12 ILE 33 1HG1 ILE 33 2.440 -1.840 0.479
242 HG13 ILE 33 2HG1 ILE 33 2.723 -2.949 1.817
243 HG21 ILE 33 1HG2 ILE 33 5.964 -1.847 -0.577
244 HG22 ILE 33 2HG2 ILE 33 4.562 -2.159 -1.599
245 HG23 ILE 33 3HG2 ILE 33 4.514 -0.859 -0.410
246 HD11 ILE 33 3HD1 ILE 33 3.377 -0.106 1.545
247 HD12 ILE 33 1HD1 ILE 33 3.010 -1.060 2.982
248 HD13 ILE 33 2HD1 ILE 33 4.631 -1.099 2.287
249 H HIS 34 H HIS 34 1.407 -4.451 0.037
250 HA HIS 34 HA HIS 34 1.479 -5.694 2.624
251 HB2 HIS 34 1HB HIS 34 -0.717 -5.042 0.673
252 HB3 HIS 34 2HB HIS 34 -1.034 -5.999 2.117
253 HD1 HIS 34 HD1 HIS 34 0.472 -4.525 4.251
254 HD2 HIS 34 HD2 HIS 34 -1.651 -2.576 1.258
255 HE1 HIS 34 HE1 HIS 34 -0.036 -2.238 5.167
256 H THR 35 H THR 35 0.450 -6.780 -0.612
257 HA THR 35 HA THR 35 0.624 -9.557 0.323
258 HB THR 35 HB THR 35 -1.494 -8.856 -0.762
259 HG1 THR 35 HG1 THR 35 0.132 -10.929 -1.629
260 HG21 THR 35 3HG2 THR 35 -0.378 -7.266 -2.369
261 HG22 THR 35 1HG2 THR 35 -1.603 -8.315 -3.080
262 HG23 THR 35 2HG2 THR 35 0.108 -8.676 -3.310
263 H GLY 36 H GLY 36 2.383 -10.690 -0.154
264 HA2 GLY 36 1HA GLY 36 4.136 -9.742 -2.308
265 HA3 GLY 36 2HA GLY 36 4.596 -10.835 -1.011
266 H SER 37 H SER 37 2.320 -12.582 -1.294
267 HA SER 37 HA SER 37 1.752 -14.501 -2.374
268 HB2 SER 37 1HB SER 37 2.254 -12.657 -4.701
269 HB3 SER 37 2HB SER 37 1.781 -14.337 -4.951
270 HG SER 37 HG SER 37 -0.153 -13.946 -4.042
271 H GLY 38 H GLY 38 4.340 -14.409 -1.374
272 HA2 GLY 38 1HA GLY 38 5.698 -16.192 -3.281
273 HA3 GLY 38 2HA GLY 38 6.594 -14.866 -2.553
274 HA PRO 39 HA PRO 39 7.285 -18.552 0.117
275 HB2 PRO 39 1HB PRO 39 9.901 -17.993 0.581
276 HB3 PRO 39 2HB PRO 39 9.347 -18.886 -0.840
277 HG2 PRO 39 1HG PRO 39 10.079 -15.994 -0.586
278 HG3 PRO 39 2HG PRO 39 10.486 -17.142 -1.875
279 HD2 PRO 39 1HD PRO 39 8.487 -15.331 -2.114
280 HD3 PRO 39 2HD PRO 39 8.426 -16.928 -2.888
281 H SER 40 H SER 40 6.193 -17.991 1.939
282 HA SER 40 HA SER 40 6.194 -15.697 3.386
283 HB2 SER 40 1HB SER 40 4.834 -17.788 3.827
284 HB3 SER 40 2HB SER 40 6.227 -18.415 4.708
285 HG SER 40 HG SER 40 5.669 -17.224 6.336
286 H SER 41 H SER 41 7.184 -15.177 5.503
287 HA SER 41 HA SER 41 10.038 -15.909 5.512
288 HB2 SER 41 1HB SER 41 10.583 -13.736 6.256
289 HB3 SER 41 2HB SER 41 9.353 -13.478 5.019
290 HG SER 41 HG SER 41 8.280 -12.477 6.508
291 H GLY 42 H GLY 42 10.872 -16.827 7.286
292 HA2 GLY 42 1HA GLY 42 11.112 -17.197 9.603
293 HA3 GLY 42 2HA GLY 42 9.510 -16.521 9.855
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