Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505174 | 2eov RC | 10153 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -8.944 15.735 -10.079
2 HA2 GLY 1 1HA GLY 1 -7.675 14.491 -12.101
3 HA3 GLY 1 2HA GLY 1 -6.328 15.032 -11.110
4 H SER 2 H SER 2 -9.374 13.213 -10.928
5 HA SER 2 HA SER 2 -8.184 11.603 -8.768
6 HB2 SER 2 1HB SER 2 -10.373 11.145 -7.963
7 HB3 SER 2 2HB SER 2 -10.355 12.871 -8.329
8 HG SER 2 HG SER 2 -12.197 11.518 -9.121
9 H SER 3 H SER 3 -7.515 9.649 -9.320
10 HA SER 3 HA SER 3 -8.495 8.439 -11.793
11 HB2 SER 3 1HB SER 3 -6.580 6.945 -11.619
12 HB3 SER 3 2HB SER 3 -6.045 8.613 -11.415
13 HG SER 3 HG SER 3 -6.719 7.079 -9.161
14 H GLY 4 H GLY 4 -8.881 6.065 -11.799
15 HA2 GLY 4 1HA GLY 4 -9.681 4.881 -9.272
16 HA3 GLY 4 2HA GLY 4 -10.998 5.239 -10.379
17 H SER 5 H SER 5 -8.493 3.068 -9.567
18 HA SER 5 HA SER 5 -9.137 1.441 -11.938
19 HB2 SER 5 1HB SER 5 -6.852 0.534 -11.854
20 HB3 SER 5 2HB SER 5 -6.832 2.284 -12.068
21 HG SER 5 HG SER 5 -6.745 1.281 -9.464
22 H SER 6 H SER 6 -10.626 0.084 -11.073
23 HA SER 6 HA SER 6 -9.901 -1.363 -8.617
24 HB2 SER 6 1HB SER 6 -12.244 -1.815 -8.302
25 HB3 SER 6 2HB SER 6 -12.073 -0.095 -8.646
26 HG SER 6 HG SER 6 -12.404 -1.025 -10.966
27 H GLY 7 H GLY 7 -9.560 -3.508 -8.652
28 HA2 GLY 7 1HA GLY 7 -9.690 -4.837 -11.261
29 HA3 GLY 7 2HA GLY 7 -8.772 -5.386 -9.866
30 H THR 8 H THR 8 -9.529 -7.189 -9.009
31 HA THR 8 HA THR 8 -12.301 -7.507 -8.358
32 HB THR 8 HB THR 8 -12.402 -8.142 -10.725
33 HG1 THR 8 HG1 THR 8 -12.567 -10.582 -9.325
34 HG21 THR 8 3HG2 THR 8 -11.168 -9.965 -11.633
35 HG22 THR 8 1HG2 THR 8 -10.522 -10.401 -10.051
36 HG23 THR 8 2HG2 THR 8 -10.002 -8.910 -10.835
37 H GLY 9 H GLY 9 -12.340 -8.541 -6.476
38 HA2 GLY 9 1HA GLY 9 -11.900 -10.559 -5.214
39 HA3 GLY 9 2HA GLY 9 -10.321 -10.634 -5.982
40 H GLU 10 H GLU 10 -11.646 -10.194 -3.115
41 HA GLU 10 HA GLU 10 -10.579 -7.799 -2.113
42 HB2 GLU 10 1HB GLU 10 -12.274 -9.395 -1.027
43 HB3 GLU 10 2HB GLU 10 -10.877 -10.312 -0.482
44 HG2 GLU 10 1HG GLU 10 -10.951 -7.398 0.081
45 HG3 GLU 10 2HG GLU 10 -11.995 -8.464 1.020
46 H LYS 11 H LYS 11 -8.517 -7.222 -2.113
47 HA LYS 11 HA LYS 11 -6.387 -9.140 -2.253
48 HB2 LYS 11 1HB LYS 11 -6.586 -6.160 -2.238
49 HB3 LYS 11 2HB LYS 11 -5.034 -6.899 -1.866
50 HG2 LYS 11 1HG LYS 11 -4.842 -6.611 -4.123
51 HG3 LYS 11 2HG LYS 11 -5.495 -8.250 -4.061
52 HD2 LYS 11 1HD LYS 11 -7.799 -7.043 -4.192
53 HD3 LYS 11 2HD LYS 11 -6.851 -5.693 -4.819
54 HE2 LYS 11 1HE LYS 11 -5.863 -7.388 -6.459
55 HE3 LYS 11 2HE LYS 11 -7.185 -8.447 -5.972
56 HZ1 LYS 11 3HZ LYS 11 -7.238 -6.377 -7.846
57 HZ2 LYS 11 1HZ LYS 11 -8.236 -5.916 -6.560
58 HZ3 LYS 11 2HZ LYS 11 -8.512 -7.379 -7.362
59 HA PRO 12 HA PRO 12 -5.631 -9.677 2.050
60 HB2 PRO 12 1HB PRO 12 -3.015 -10.395 1.945
61 HB3 PRO 12 2HB PRO 12 -4.326 -11.469 1.445
62 HG2 PRO 12 1HG PRO 12 -2.531 -9.762 -0.235
63 HG3 PRO 12 2HG PRO 12 -3.067 -11.430 -0.509
64 HD2 PRO 12 1HD PRO 12 -4.191 -9.314 -1.770
65 HD3 PRO 12 2HD PRO 12 -5.112 -10.770 -1.342
66 H TYR 13 H TYR 13 -4.440 -7.147 0.260
67 HA TYR 13 HA TYR 13 -3.313 -5.885 2.661
68 HB2 TYR 13 1HB TYR 13 -2.152 -5.477 -0.095
69 HB3 TYR 13 2HB TYR 13 -1.498 -4.924 1.443
70 HD1 TYR 13 HD1 TYR 13 -0.904 -6.823 3.155
71 HD2 TYR 13 HD2 TYR 13 -1.315 -7.419 -1.038
72 HE1 TYR 13 HE1 TYR 13 0.451 -8.870 3.319
73 HE2 TYR 13 HE2 TYR 13 0.037 -9.468 -0.885
74 HH TYR 13 HH TYR 13 1.833 -10.281 1.895
75 H LYS 14 H LYS 14 -3.789 -3.738 2.932
76 HA LYS 14 HA LYS 14 -5.156 -2.289 0.808
77 HB2 LYS 14 1HB LYS 14 -6.959 -3.464 2.001
78 HB3 LYS 14 2HB LYS 14 -6.420 -2.754 3.516
79 HG2 LYS 14 1HG LYS 14 -6.794 -0.497 2.261
80 HG3 LYS 14 2HG LYS 14 -7.827 -1.479 1.220
81 HD2 LYS 14 1HD LYS 14 -9.204 -2.116 3.062
82 HD3 LYS 14 2HD LYS 14 -8.077 -1.409 4.223
83 HE2 LYS 14 1HE LYS 14 -9.467 0.218 2.108
84 HE3 LYS 14 2HE LYS 14 -10.170 -0.069 3.700
85 HZ1 LYS 14 3HZ LYS 14 -7.512 0.794 4.008
86 HZ2 LYS 14 1HZ LYS 14 -8.934 1.556 4.517
87 HZ3 LYS 14 2HZ LYS 14 -8.310 1.872 2.978
88 H CYS 15 H CYS 15 -4.549 -0.220 0.779
89 HA CYS 15 HA CYS 15 -2.685 0.770 2.687
90 HB2 CYS 15 1HB CYS 15 -2.736 1.387 0.252
91 HB3 CYS 15 2HB CYS 15 -4.174 2.348 0.582
92 H SER 16 H SER 16 -3.271 1.331 4.678
93 HA SER 16 HA SER 16 -5.924 2.295 5.265
94 HB2 SER 16 1HB SER 16 -4.524 0.779 6.770
95 HB3 SER 16 2HB SER 16 -3.586 2.217 7.174
96 HG SER 16 HG SER 16 -5.941 3.045 7.547
97 H ASP 17 H ASP 17 -4.711 4.014 3.491
98 HA ASP 17 HA ASP 17 -4.446 6.431 5.138
99 HB2 ASP 17 1HB ASP 17 -2.555 5.401 3.079
100 HB3 ASP 17 2HB ASP 17 -2.830 7.140 3.140
101 H CYS 18 H CYS 18 -4.832 5.247 1.800
102 HA CYS 18 HA CYS 18 -6.651 7.505 1.295
103 HB2 CYS 18 1HB CYS 18 -6.221 6.965 -1.138
104 HB3 CYS 18 2HB CYS 18 -4.834 7.579 -0.245
105 H GLY 19 H GLY 19 -6.209 4.042 0.590
106 HA2 GLY 19 1HA GLY 19 -8.175 2.628 1.173
107 HA3 GLY 19 2HA GLY 19 -9.148 3.837 0.348
108 H LYS 20 H LYS 20 -6.112 2.184 -0.508
109 HA LYS 20 HA LYS 20 -7.431 1.277 -2.983
110 HB2 LYS 20 1HB LYS 20 -5.822 2.991 -3.531
111 HB3 LYS 20 2HB LYS 20 -4.583 2.196 -2.570
112 HG2 LYS 20 1HG LYS 20 -4.608 0.298 -4.118
113 HG3 LYS 20 2HG LYS 20 -5.834 1.118 -5.089
114 HD2 LYS 20 1HD LYS 20 -4.249 2.985 -5.440
115 HD3 LYS 20 2HD LYS 20 -3.023 2.079 -4.550
116 HE2 LYS 20 1HE LYS 20 -3.494 0.208 -6.266
117 HE3 LYS 20 2HE LYS 20 -4.248 1.484 -7.221
118 HZ1 LYS 20 3HZ LYS 20 -1.958 1.219 -7.862
119 HZ2 LYS 20 1HZ LYS 20 -1.436 1.432 -6.267
120 HZ3 LYS 20 2HZ LYS 20 -2.148 2.719 -7.102
121 H SER 21 H SER 21 -6.942 -0.785 -3.742
122 HA SER 21 HA SER 21 -5.839 -2.579 -1.706
123 HB2 SER 21 1HB SER 21 -7.619 -3.048 -4.099
124 HB3 SER 21 2HB SER 21 -6.888 -4.370 -3.189
125 HG SER 21 HG SER 21 -8.193 -3.988 -1.552
126 H PHE 22 H PHE 22 -4.140 -3.942 -2.087
127 HA PHE 22 HA PHE 22 -2.806 -3.720 -4.701
128 HB2 PHE 22 1HB PHE 22 -1.408 -3.757 -2.019
129 HB3 PHE 22 2HB PHE 22 -0.638 -3.635 -3.598
130 HD1 PHE 22 HD1 PHE 22 -3.290 -1.887 -1.635
131 HD2 PHE 22 HD2 PHE 22 0.049 -1.553 -4.254
132 HE1 PHE 22 HE1 PHE 22 -3.444 0.566 -1.514
133 HE2 PHE 22 HE2 PHE 22 -0.100 0.900 -4.136
134 HZ PHE 22 HZ PHE 22 -1.847 1.963 -2.764
135 H THR 23 H THR 23 -2.327 -5.608 -5.616
136 HA THR 23 HA THR 23 -3.056 -8.061 -4.391
137 HB THR 23 HB THR 23 -1.384 -7.664 -6.879
138 HG1 THR 23 HG1 THR 23 -3.277 -7.516 -7.968
139 HG21 THR 23 3HG2 THR 23 -2.706 -9.905 -7.366
140 HG22 THR 23 1HG2 THR 23 -2.708 -10.007 -5.606
141 HG23 THR 23 2HG2 THR 23 -1.180 -9.912 -6.482
142 H TRP 24 H TRP 24 0.067 -6.545 -5.109
143 HA TRP 24 HA TRP 24 1.431 -8.699 -3.663
144 HB2 TRP 24 1HB TRP 24 2.403 -6.544 -5.533
145 HB3 TRP 24 2HB TRP 24 3.513 -7.493 -4.548
146 HD1 TRP 24 HD1 TRP 24 1.710 -7.561 -7.796
147 HE1 TRP 24 HE1 TRP 24 2.027 -9.844 -8.942
148 HE3 TRP 24 HE3 TRP 24 3.695 -10.171 -3.873
149 HZ2 TRP 24 HZ2 TRP 24 2.990 -12.411 -8.272
150 HZ3 TRP 24 HZ3 TRP 24 4.286 -12.536 -4.209
151 HH2 TRP 24 HH2 TRP 24 3.939 -13.631 -6.363
152 H LYS 25 H LYS 25 2.609 -8.355 -1.823
153 HA LYS 25 HA LYS 25 1.863 -6.171 -0.175
154 HB2 LYS 25 1HB LYS 25 2.527 -8.505 0.577
155 HB3 LYS 25 2HB LYS 25 4.195 -8.030 0.287
156 HG2 LYS 25 1HG LYS 25 4.088 -6.346 1.970
157 HG3 LYS 25 2HG LYS 25 2.345 -6.561 2.150
158 HD2 LYS 25 1HD LYS 25 2.585 -8.605 3.235
159 HD3 LYS 25 2HD LYS 25 4.218 -8.853 2.614
160 HE2 LYS 25 1HE LYS 25 5.045 -7.060 4.042
161 HE3 LYS 25 2HE LYS 25 3.412 -6.765 4.637
162 HZ1 LYS 25 3HZ LYS 25 4.190 -9.498 4.932
163 HZ2 LYS 25 1HZ LYS 25 3.595 -8.417 6.090
164 HZ3 LYS 25 2HZ LYS 25 5.249 -8.455 5.739
165 H SER 26 H SER 26 4.901 -7.014 -1.814
166 HA SER 26 HA SER 26 6.515 -4.971 -0.918
167 HB2 SER 26 1HB SER 26 6.395 -6.492 -3.499
168 HB3 SER 26 2HB SER 26 7.527 -5.150 -3.333
169 HG SER 26 HG SER 26 8.672 -6.822 -2.594
170 H ARG 27 H ARG 27 4.273 -4.915 -3.672
171 HA ARG 27 HA ARG 27 4.811 -2.375 -4.634
172 HB2 ARG 27 1HB ARG 27 2.124 -3.757 -4.509
173 HB3 ARG 27 2HB ARG 27 2.533 -2.405 -5.557
174 HG2 ARG 27 1HG ARG 27 4.091 -4.955 -5.678
175 HG3 ARG 27 2HG ARG 27 2.552 -4.789 -6.526
176 HD2 ARG 27 1HD ARG 27 4.034 -4.133 -8.157
177 HD3 ARG 27 2HD ARG 27 3.620 -2.583 -7.427
178 HE ARG 27 HE ARG 27 5.787 -3.263 -6.027
179 HH11 ARG 27 1HH1 ARG 27 5.164 -3.318 -9.451
180 HH12 ARG 27 2HH1 ARG 27 6.815 -3.029 -9.889
181 HH21 ARG 27 1HH2 ARG 27 7.964 -2.882 -6.590
182 HH22 ARG 27 2HH2 ARG 27 8.407 -2.782 -8.260
183 H LEU 28 H LEU 28 2.365 -3.309 -2.216
184 HA LEU 28 HA LEU 28 1.284 -0.849 -1.658
185 HB2 LEU 28 1HB LEU 28 0.361 -2.800 -0.666
186 HB3 LEU 28 2HB LEU 28 1.870 -3.169 0.165
187 HG LEU 28 HG LEU 28 1.505 -1.068 1.515
188 HD11 LEU 28 1HD1 LEU 28 -1.357 -1.252 0.671
189 HD12 LEU 28 2HD1 LEU 28 -0.223 -0.241 -0.223
190 HD13 LEU 28 3HD1 LEU 28 -0.513 0.062 1.490
191 HD21 LEU 28 3HD2 LEU 28 0.347 -2.225 3.121
192 HD22 LEU 28 1HD2 LEU 28 0.850 -3.549 2.070
193 HD23 LEU 28 2HD2 LEU 28 -0.792 -2.913 1.963
194 H ARG 29 H ARG 29 4.039 -2.331 0.060
195 HA ARG 29 HA ARG 29 4.706 -0.366 1.805
196 HB2 ARG 29 1HB ARG 29 6.469 -2.156 0.149
197 HB3 ARG 29 2HB ARG 29 7.143 -1.044 1.333
198 HG2 ARG 29 1HG ARG 29 6.109 -2.157 3.126
199 HG3 ARG 29 2HG ARG 29 5.039 -3.059 2.051
200 HD2 ARG 29 1HD ARG 29 6.596 -4.670 2.519
201 HD3 ARG 29 2HD ARG 29 7.312 -3.951 1.076
202 HE ARG 29 HE ARG 29 8.469 -2.522 3.011
203 HH11 ARG 29 1HH1 ARG 29 7.993 -5.954 2.668
204 HH12 ARG 29 2HH1 ARG 29 9.423 -6.372 3.552
205 HH21 ARG 29 1HH2 ARG 29 10.355 -3.060 4.176
206 HH22 ARG 29 2HH2 ARG 29 10.765 -4.726 4.411
207 H ILE 30 H ILE 30 5.726 -0.499 -1.600
208 HA ILE 30 HA ILE 30 7.204 1.879 -1.616
209 HB ILE 30 HB ILE 30 5.676 0.613 -3.894
210 HG12 ILE 30 1HG1 ILE 30 8.636 0.406 -3.442
211 HG13 ILE 30 2HG1 ILE 30 7.539 -0.679 -2.594
212 HG21 ILE 30 1HG2 ILE 30 6.526 2.133 -5.306
213 HG22 ILE 30 2HG2 ILE 30 6.731 3.122 -3.860
214 HG23 ILE 30 3HG2 ILE 30 8.083 2.175 -4.480
215 HD11 ILE 30 3HD1 ILE 30 7.282 -1.947 -4.390
216 HD12 ILE 30 1HD1 ILE 30 6.942 -0.554 -5.416
217 HD13 ILE 30 2HD1 ILE 30 8.610 -1.040 -5.113
218 H HIS 31 H HIS 31 3.802 1.293 -2.474
219 HA HIS 31 HA HIS 31 3.127 3.889 -3.219
220 HB2 HIS 31 1HB HIS 31 1.569 2.166 -3.694
221 HB3 HIS 31 2HB HIS 31 1.498 1.659 -2.009
222 HD1 HIS 31 HD1 HIS 31 0.246 4.324 -4.338
223 HD2 HIS 31 HD2 HIS 31 -0.300 3.054 -0.420
224 HE1 HIS 31 HE1 HIS 31 -1.762 5.583 -3.497
225 H GLN 32 H GLN 32 2.823 2.340 -0.026
226 HA GLN 32 HA GLN 32 1.686 4.297 1.460
227 HB2 GLN 32 1HB GLN 32 3.888 2.367 2.097
228 HB3 GLN 32 2HB GLN 32 3.376 3.540 3.304
229 HG2 GLN 32 1HG GLN 32 1.085 2.679 3.147
230 HG3 GLN 32 2HG GLN 32 1.630 1.480 1.975
231 HE21 GLN 32 1HE2 GLN 32 0.368 0.888 4.421
232 HE22 GLN 32 2HE2 GLN 32 1.490 0.020 5.406
233 H LYS 33 H LYS 33 5.222 4.030 1.048
234 HA LYS 33 HA LYS 33 5.818 6.522 2.196
235 HB2 LYS 33 1HB LYS 33 8.032 6.251 1.254
236 HB3 LYS 33 2HB LYS 33 7.466 4.703 1.869
237 HG2 LYS 33 1HG LYS 33 7.148 3.831 -0.265
238 HG3 LYS 33 2HG LYS 33 7.142 5.427 -1.018
239 HD2 LYS 33 1HD LYS 33 9.240 4.644 -1.583
240 HD3 LYS 33 2HD LYS 33 9.582 5.562 -0.115
241 HE2 LYS 33 1HE LYS 33 9.710 3.594 1.194
242 HE3 LYS 33 2HE LYS 33 9.012 2.608 -0.090
243 HZ1 LYS 33 3HZ LYS 33 10.967 2.680 -1.314
244 HZ2 LYS 33 1HZ LYS 33 11.522 2.508 0.276
245 HZ3 LYS 33 2HZ LYS 33 11.575 4.021 -0.479
246 H CYS 34 H CYS 34 5.028 5.584 -1.093
247 HA CYS 34 HA CYS 34 5.831 7.745 -2.561
248 HB2 CYS 34 1HB CYS 34 4.565 5.656 -3.331
249 HB3 CYS 34 2HB CYS 34 3.096 6.529 -2.915
250 HG CYS 34 HG CYS 34 5.166 6.944 -5.531
251 H HIS 35 H HIS 35 2.901 7.485 -0.584
252 HA HIS 35 HA HIS 35 1.510 9.716 -1.160
253 HB2 HIS 35 1HB HIS 35 2.127 8.408 1.460
254 HB3 HIS 35 2HB HIS 35 1.218 9.916 1.449
255 HD1 HIS 35 HD1 HIS 35 -0.920 9.753 -0.394
256 HD2 HIS 35 HD2 HIS 35 0.495 6.268 1.370
257 HE1 HIS 35 HE1 HIS 35 -2.779 8.076 -0.632
258 H THR 36 H THR 36 4.114 9.742 1.281
259 HA THR 36 HA THR 36 4.247 12.621 1.217
260 HB THR 36 HB THR 36 4.634 11.318 3.307
261 HG1 THR 36 HG1 THR 36 5.717 13.485 2.596
262 HG21 THR 36 3HG2 THR 36 6.416 9.877 1.682
263 HG22 THR 36 1HG2 THR 36 6.125 9.664 3.408
264 HG23 THR 36 2HG2 THR 36 7.412 10.736 2.857
265 H GLY 37 H GLY 37 5.821 13.895 0.326
266 HA2 GLY 37 1HA GLY 37 8.061 14.154 -0.579
267 HA3 GLY 37 2HA GLY 37 7.925 12.525 -1.225
268 H GLU 38 H GLU 38 7.427 15.848 -1.805
269 HA GLU 38 HA GLU 38 5.868 15.307 -4.230
270 HB2 GLU 38 1HB GLU 38 5.354 17.168 -2.430
271 HB3 GLU 38 2HB GLU 38 6.560 18.072 -3.335
272 HG2 GLU 38 1HG GLU 38 4.563 18.721 -4.303
273 HG3 GLU 38 2HG GLU 38 5.163 17.480 -5.402
274 H ARG 39 H ARG 39 7.576 14.428 -5.462
275 HA ARG 39 HA ARG 39 9.620 16.388 -6.279
276 HB2 ARG 39 1HB ARG 39 10.520 14.374 -5.127
277 HB3 ARG 39 2HB ARG 39 9.819 13.375 -6.394
278 HG2 ARG 39 1HG ARG 39 12.052 13.590 -7.004
279 HG3 ARG 39 2HG ARG 39 11.218 14.771 -8.015
280 HD2 ARG 39 1HD ARG 39 13.142 15.861 -7.181
281 HD3 ARG 39 2HD ARG 39 11.780 16.491 -6.255
282 HE ARG 39 HE ARG 39 12.620 15.472 -4.363
283 HH11 ARG 39 1HH1 ARG 39 14.380 14.417 -7.175
284 HH12 ARG 39 2HH1 ARG 39 15.638 13.653 -6.262
285 HH21 ARG 39 1HH2 ARG 39 14.270 14.469 -3.149
286 HH22 ARG 39 2HH2 ARG 39 15.574 13.682 -3.972
287 H HIS 40 H HIS 40 8.129 17.237 -7.841
288 HA HIS 40 HA HIS 40 7.070 17.364 -9.864
289 HB2 HIS 40 1HB HIS 40 9.588 15.823 -10.423
290 HB3 HIS 40 2HB HIS 40 8.456 16.187 -11.722
291 HD2 HIS 40 HD2 HIS 40 8.290 18.917 -12.429
292 HE1 HIS 40 HE1 HIS 40 11.648 20.096 -10.120
293 HE2 HIS 40 HE2 HIS 40 9.946 20.812 -11.833
294 H SER 41 H SER 41 5.912 15.431 -8.237
295 HA SER 41 HA SER 41 4.872 13.600 -10.265
296 HB2 SER 41 1HB SER 41 6.651 12.408 -8.936
297 HB3 SER 41 2HB SER 41 5.645 12.633 -7.505
298 HG SER 41 HG SER 41 5.437 10.790 -9.467
299 H GLY 42 H GLY 42 2.788 14.117 -10.360
300 HA2 GLY 42 1HA GLY 42 1.345 14.501 -7.809
301 HA3 GLY 42 2HA GLY 42 1.004 15.464 -9.239
302 HA PRO 43 HA PRO 43 -2.003 12.590 -10.604
303 HB2 PRO 43 1HB PRO 43 -1.577 12.459 -13.281
304 HB3 PRO 43 2HB PRO 43 -2.272 13.877 -12.488
305 HG2 PRO 43 1HG PRO 43 0.545 13.396 -13.378
306 HG3 PRO 43 2HG PRO 43 -0.446 14.857 -13.542
307 HD2 PRO 43 1HD PRO 43 1.435 14.580 -11.613
308 HD3 PRO 43 2HD PRO 43 -0.052 15.519 -11.369
309 H SER 44 H SER 44 -2.355 10.433 -11.029
310 HA SER 44 HA SER 44 0.049 8.771 -11.180
311 HB2 SER 44 1HB SER 44 -2.723 8.365 -10.140
312 HB3 SER 44 2HB SER 44 -1.814 6.953 -10.680
313 HG SER 44 HG SER 44 -0.500 8.752 -9.010
314 H SER 45 H SER 45 -0.132 6.720 -12.446
315 HA SER 45 HA SER 45 -1.016 7.356 -15.127
316 HB2 SER 45 1HB SER 45 1.182 6.302 -14.763
317 HB3 SER 45 2HB SER 45 0.387 4.890 -14.067
318 HG SER 45 HG SER 45 -0.789 4.955 -16.238
319 H GLY 46 H GLY 46 -1.548 4.653 -12.857
320 HA2 GLY 46 1HA GLY 46 -4.260 4.379 -13.956
321 HA3 GLY 46 2HA GLY 46 -3.214 2.968 -13.914
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -18.937 12.350 -14.308
2 HA2 GLY 1 1HA GLY 1 -21.093 11.881 -16.193
3 HA3 GLY 1 2HA GLY 1 -19.599 11.026 -16.547
4 H SER 2 H SER 2 -20.470 8.989 -16.220
5 HA SER 2 HA SER 2 -20.789 8.255 -13.410
6 HB2 SER 2 1HB SER 2 -23.072 8.674 -14.445
7 HB3 SER 2 2HB SER 2 -22.757 7.287 -15.487
8 HG SER 2 HG SER 2 -22.378 6.941 -12.750
9 H SER 3 H SER 3 -20.368 6.053 -12.965
10 HA SER 3 HA SER 3 -19.278 4.473 -15.187
11 HB2 SER 3 1HB SER 3 -17.420 5.660 -13.994
12 HB3 SER 3 2HB SER 3 -17.875 4.796 -12.525
13 HG SER 3 HG SER 3 -16.694 3.228 -13.243
14 H GLY 4 H GLY 4 -18.720 2.176 -14.336
15 HA2 GLY 4 1HA GLY 4 -21.143 1.084 -13.288
16 HA3 GLY 4 2HA GLY 4 -19.683 0.188 -13.679
17 H SER 5 H SER 5 -18.844 -0.839 -12.005
18 HA SER 5 HA SER 5 -19.487 0.036 -9.304
19 HB2 SER 5 1HB SER 5 -19.676 -2.372 -10.001
20 HB3 SER 5 2HB SER 5 -17.920 -2.408 -10.157
21 HG SER 5 HG SER 5 -19.451 -2.589 -7.932
22 H SER 6 H SER 6 -17.875 0.301 -7.669
23 HA SER 6 HA SER 6 -15.243 1.092 -8.734
24 HB2 SER 6 1HB SER 6 -16.842 2.385 -6.513
25 HB3 SER 6 2HB SER 6 -15.183 2.814 -6.931
26 HG SER 6 HG SER 6 -17.509 3.095 -8.523
27 H GLY 7 H GLY 7 -15.680 -1.499 -7.887
28 HA2 GLY 7 1HA GLY 7 -13.755 -1.675 -5.738
29 HA3 GLY 7 2HA GLY 7 -15.355 -2.265 -5.314
30 H THR 8 H THR 8 -16.068 -4.209 -6.113
31 HA THR 8 HA THR 8 -15.686 -6.418 -6.639
32 HB THR 8 HB THR 8 -15.276 -6.766 -9.049
33 HG1 THR 8 HG1 THR 8 -13.850 -5.230 -9.664
34 HG21 THR 8 3HG2 THR 8 -17.289 -4.895 -7.982
35 HG22 THR 8 1HG2 THR 8 -17.501 -6.385 -8.899
36 HG23 THR 8 2HG2 THR 8 -17.093 -4.886 -9.734
37 H GLY 9 H GLY 9 -13.479 -5.352 -5.233
38 HA2 GLY 9 1HA GLY 9 -11.370 -7.077 -6.317
39 HA3 GLY 9 2HA GLY 9 -10.971 -5.401 -5.969
40 H GLU 10 H GLU 10 -10.708 -8.413 -4.783
41 HA GLU 10 HA GLU 10 -10.699 -7.453 -1.998
42 HB2 GLU 10 1HB GLU 10 -12.510 -9.165 -2.635
43 HB3 GLU 10 2HB GLU 10 -11.193 -10.324 -2.753
44 HG2 GLU 10 1HG GLU 10 -11.806 -10.692 -0.606
45 HG3 GLU 10 2HG GLU 10 -10.638 -9.398 -0.343
46 H LYS 11 H LYS 11 -8.555 -7.014 -1.798
47 HA LYS 11 HA LYS 11 -6.669 -9.195 -2.398
48 HB2 LYS 11 1HB LYS 11 -5.914 -6.310 -1.977
49 HB3 LYS 11 2HB LYS 11 -4.963 -7.585 -2.727
50 HG2 LYS 11 1HG LYS 11 -7.552 -6.801 -3.970
51 HG3 LYS 11 2HG LYS 11 -6.146 -5.753 -4.174
52 HD2 LYS 11 1HD LYS 11 -5.863 -7.111 -5.986
53 HD3 LYS 11 2HD LYS 11 -4.981 -8.055 -4.782
54 HE2 LYS 11 1HE LYS 11 -7.214 -9.235 -4.354
55 HE3 LYS 11 2HE LYS 11 -7.746 -8.504 -5.867
56 HZ1 LYS 11 3HZ LYS 11 -6.116 -10.786 -5.467
57 HZ2 LYS 11 1HZ LYS 11 -5.284 -9.638 -6.389
58 HZ3 LYS 11 2HZ LYS 11 -6.795 -10.199 -6.901
59 HA PRO 12 HA PRO 12 -5.790 -9.678 1.879
60 HB2 PRO 12 1HB PRO 12 -3.204 -10.496 1.760
61 HB3 PRO 12 2HB PRO 12 -4.560 -11.524 1.283
62 HG2 PRO 12 1HG PRO 12 -2.716 -9.905 -0.431
63 HG3 PRO 12 2HG PRO 12 -3.317 -11.554 -0.682
64 HD2 PRO 12 1HD PRO 12 -4.371 -9.409 -1.956
65 HD3 PRO 12 2HD PRO 12 -5.343 -10.825 -1.505
66 H TYR 13 H TYR 13 -4.564 -7.196 0.070
67 HA TYR 13 HA TYR 13 -3.378 -5.947 2.444
68 HB2 TYR 13 1HB TYR 13 -2.165 -5.681 -0.310
69 HB3 TYR 13 2HB TYR 13 -1.517 -5.070 1.208
70 HD1 TYR 13 HD1 TYR 13 -0.762 -6.753 2.956
71 HD2 TYR 13 HD2 TYR 13 -1.618 -7.836 -1.069
72 HE1 TYR 13 HE1 TYR 13 0.529 -8.826 3.245
73 HE2 TYR 13 HE2 TYR 13 -0.330 -9.913 -0.790
74 HH TYR 13 HH TYR 13 1.409 -10.607 2.216
75 H LYS 14 H LYS 14 -3.865 -3.824 2.715
76 HA LYS 14 HA LYS 14 -5.086 -2.333 0.526
77 HB2 LYS 14 1HB LYS 14 -6.943 -3.480 1.718
78 HB3 LYS 14 2HB LYS 14 -6.458 -2.666 3.200
79 HG2 LYS 14 1HG LYS 14 -7.028 -0.995 0.814
80 HG3 LYS 14 2HG LYS 14 -8.387 -1.733 1.665
81 HD2 LYS 14 1HD LYS 14 -6.307 -0.314 3.258
82 HD3 LYS 14 2HD LYS 14 -7.470 0.648 2.342
83 HE2 LYS 14 1HE LYS 14 -9.245 -0.040 3.614
84 HE3 LYS 14 2HE LYS 14 -8.496 -1.584 4.020
85 HZ1 LYS 14 3HZ LYS 14 -7.022 0.613 5.078
86 HZ2 LYS 14 1HZ LYS 14 -7.663 -0.734 5.876
87 HZ3 LYS 14 2HZ LYS 14 -8.624 0.634 5.620
88 H CYS 15 H CYS 15 -4.144 -0.411 0.451
89 HA CYS 15 HA CYS 15 -2.321 0.576 2.274
90 HB2 CYS 15 1HB CYS 15 -2.339 1.497 0.082
91 HB3 CYS 15 2HB CYS 15 -4.024 1.987 0.223
92 H SER 16 H SER 16 -2.430 1.616 4.163
93 HA SER 16 HA SER 16 -5.079 2.218 5.244
94 HB2 SER 16 1HB SER 16 -3.376 0.801 6.501
95 HB3 SER 16 2HB SER 16 -2.454 2.286 6.738
96 HG SER 16 HG SER 16 -4.677 3.053 7.542
97 H ASP 17 H ASP 17 -4.146 3.983 3.279
98 HA ASP 17 HA ASP 17 -3.864 6.433 4.876
99 HB2 ASP 17 1HB ASP 17 -1.696 5.669 3.721
100 HB3 ASP 17 2HB ASP 17 -2.491 6.116 2.214
101 H CYS 18 H CYS 18 -4.531 5.205 1.597
102 HA CYS 18 HA CYS 18 -6.513 7.353 1.273
103 HB2 CYS 18 1HB CYS 18 -6.358 6.809 -1.167
104 HB3 CYS 18 2HB CYS 18 -4.854 7.399 -0.466
105 H GLY 19 H GLY 19 -6.020 3.876 0.725
106 HA2 GLY 19 1HA GLY 19 -7.878 2.454 1.587
107 HA3 GLY 19 2HA GLY 19 -8.960 3.567 0.761
108 H LYS 20 H LYS 20 -5.910 2.420 -0.548
109 HA LYS 20 HA LYS 20 -7.387 1.225 -2.776
110 HB2 LYS 20 1HB LYS 20 -5.378 2.937 -2.927
111 HB3 LYS 20 2HB LYS 20 -4.411 1.478 -2.760
112 HG2 LYS 20 1HG LYS 20 -5.842 0.568 -4.697
113 HG3 LYS 20 2HG LYS 20 -6.277 2.258 -4.964
114 HD2 LYS 20 1HD LYS 20 -3.654 2.578 -4.814
115 HD3 LYS 20 2HD LYS 20 -3.660 0.884 -5.310
116 HE2 LYS 20 1HE LYS 20 -5.267 1.628 -7.159
117 HE3 LYS 20 2HE LYS 20 -4.768 3.271 -6.759
118 HZ1 LYS 20 3HZ LYS 20 -3.498 1.577 -8.479
119 HZ2 LYS 20 1HZ LYS 20 -2.540 1.511 -7.087
120 HZ3 LYS 20 2HZ LYS 20 -2.854 2.999 -7.827
121 H SER 21 H SER 21 -6.964 -0.874 -3.520
122 HA SER 21 HA SER 21 -5.843 -2.653 -1.465
123 HB2 SER 21 1HB SER 21 -7.980 -3.003 -3.543
124 HB3 SER 21 2HB SER 21 -7.133 -4.414 -2.910
125 HG SER 21 HG SER 21 -9.169 -3.256 -1.825
126 H PHE 22 H PHE 22 -4.138 -3.929 -1.888
127 HA PHE 22 HA PHE 22 -3.147 -4.024 -4.660
128 HB2 PHE 22 1HB PHE 22 -1.415 -3.912 -2.185
129 HB3 PHE 22 2HB PHE 22 -0.875 -3.859 -3.860
130 HD1 PHE 22 HD1 PHE 22 -3.052 -2.010 -1.469
131 HD2 PHE 22 HD2 PHE 22 -0.461 -1.817 -4.840
132 HE1 PHE 22 HE1 PHE 22 -3.188 0.446 -1.428
133 HE2 PHE 22 HE2 PHE 22 -0.592 0.640 -4.804
134 HZ PHE 22 HZ PHE 22 -1.956 1.775 -3.096
135 H THR 23 H THR 23 -2.198 -5.937 -5.349
136 HA THR 23 HA THR 23 -3.088 -8.302 -3.969
137 HB THR 23 HB THR 23 -1.388 -8.122 -6.462
138 HG1 THR 23 HG1 THR 23 -3.166 -7.551 -7.441
139 HG21 THR 23 3HG2 THR 23 -1.232 -10.335 -5.976
140 HG22 THR 23 1HG2 THR 23 -2.824 -10.373 -6.733
141 HG23 THR 23 2HG2 THR 23 -2.685 -10.328 -4.976
142 H TRP 24 H TRP 24 0.056 -6.908 -4.861
143 HA TRP 24 HA TRP 24 1.409 -8.914 -3.219
144 HB2 TRP 24 1HB TRP 24 2.321 -6.959 -5.306
145 HB3 TRP 24 2HB TRP 24 3.482 -7.654 -4.178
146 HD1 TRP 24 HD1 TRP 24 1.727 -8.371 -7.382
147 HE1 TRP 24 HE1 TRP 24 2.262 -10.763 -8.169
148 HE3 TRP 24 HE3 TRP 24 3.909 -10.160 -3.118
149 HZ2 TRP 24 HZ2 TRP 24 3.452 -13.098 -7.121
150 HZ3 TRP 24 HZ3 TRP 24 4.718 -12.483 -3.093
151 HH2 TRP 24 HH2 TRP 24 4.493 -13.921 -5.054
152 H LYS 25 H LYS 25 2.491 -8.453 -1.365
153 HA LYS 25 HA LYS 25 1.762 -6.136 0.088
154 HB2 LYS 25 1HB LYS 25 2.235 -8.214 1.238
155 HB3 LYS 25 2HB LYS 25 3.882 -8.225 0.619
156 HG2 LYS 25 1HG LYS 25 4.524 -6.431 1.993
157 HG3 LYS 25 2HG LYS 25 2.850 -6.018 2.372
158 HD2 LYS 25 1HD LYS 25 2.620 -8.155 3.575
159 HD3 LYS 25 2HD LYS 25 4.313 -8.516 3.229
160 HE2 LYS 25 1HE LYS 25 5.035 -6.627 4.526
161 HE3 LYS 25 2HE LYS 25 3.372 -6.085 4.745
162 HZ1 LYS 25 3HZ LYS 25 2.919 -8.067 6.031
163 HZ2 LYS 25 1HZ LYS 25 4.225 -7.229 6.705
164 HZ3 LYS 25 2HZ LYS 25 4.497 -8.627 5.793
165 H SER 26 H SER 26 4.852 -7.157 -1.351
166 HA SER 26 HA SER 26 6.495 -5.114 -0.601
167 HB2 SER 26 1HB SER 26 7.205 -7.041 -1.984
168 HB3 SER 26 2HB SER 26 6.381 -6.331 -3.373
169 HG SER 26 HG SER 26 7.892 -4.809 -3.519
170 H ARG 27 H ARG 27 4.328 -5.100 -3.425
171 HA ARG 27 HA ARG 27 4.908 -2.600 -4.434
172 HB2 ARG 27 1HB ARG 27 2.163 -3.860 -4.299
173 HB3 ARG 27 2HB ARG 27 2.687 -2.620 -5.430
174 HG2 ARG 27 1HG ARG 27 3.957 -5.339 -5.283
175 HG3 ARG 27 2HG ARG 27 2.585 -4.966 -6.329
176 HD2 ARG 27 1HD ARG 27 5.063 -3.288 -6.406
177 HD3 ARG 27 2HD ARG 27 4.988 -4.815 -7.285
178 HE ARG 27 HE ARG 27 2.792 -3.005 -7.786
179 HH11 ARG 27 1HH1 ARG 27 5.960 -4.072 -8.756
180 HH12 ARG 27 2HH1 ARG 27 5.806 -3.480 -10.377
181 HH21 ARG 27 1HH2 ARG 27 2.577 -2.221 -9.917
182 HH22 ARG 27 2HH2 ARG 27 3.882 -2.426 -11.036
183 H LEU 28 H LEU 28 2.500 -3.426 -1.949
184 HA LEU 28 HA LEU 28 1.429 -0.924 -1.499
185 HB2 LEU 28 1HB LEU 28 0.425 -2.756 -0.427
186 HB3 LEU 28 2HB LEU 28 1.937 -3.243 0.336
187 HG LEU 28 HG LEU 28 1.695 -0.949 1.581
188 HD11 LEU 28 1HD1 LEU 28 -0.474 -0.650 0.052
189 HD12 LEU 28 2HD1 LEU 28 -0.339 0.036 1.671
190 HD13 LEU 28 3HD1 LEU 28 -1.209 -1.478 1.425
191 HD21 LEU 28 3HD2 LEU 28 0.762 -2.085 3.413
192 HD22 LEU 28 1HD2 LEU 28 1.590 -3.330 2.476
193 HD23 LEU 28 2HD2 LEU 28 -0.164 -3.172 2.376
194 H ARG 29 H ARG 29 4.219 -2.392 0.164
195 HA ARG 29 HA ARG 29 4.910 -0.421 1.905
196 HB2 ARG 29 1HB ARG 29 6.486 -2.386 0.322
197 HB3 ARG 29 2HB ARG 29 7.375 -1.104 1.135
198 HG2 ARG 29 1HG ARG 29 5.998 -1.827 3.215
199 HG3 ARG 29 2HG ARG 29 5.757 -3.320 2.305
200 HD2 ARG 29 1HD ARG 29 8.421 -2.085 2.996
201 HD3 ARG 29 2HD ARG 29 7.687 -3.468 3.808
202 HE ARG 29 HE ARG 29 7.775 -4.283 1.248
203 HH11 ARG 29 1HH1 ARG 29 10.169 -2.871 3.345
204 HH12 ARG 29 2HH1 ARG 29 11.500 -3.677 2.584
205 HH21 ARG 29 1HH2 ARG 29 9.520 -5.351 0.238
206 HH22 ARG 29 2HH2 ARG 29 11.130 -5.087 0.817
207 H ILE 30 H ILE 30 5.699 -0.527 -1.551
208 HA ILE 30 HA ILE 30 7.182 1.896 -1.559
209 HB ILE 30 HB ILE 30 5.797 0.495 -3.849
210 HG12 ILE 30 1HG1 ILE 30 8.739 0.441 -3.212
211 HG13 ILE 30 2HG1 ILE 30 7.628 -0.724 -2.499
212 HG21 ILE 30 1HG2 ILE 30 6.362 2.935 -4.171
213 HG22 ILE 30 2HG2 ILE 30 8.056 2.474 -4.014
214 HG23 ILE 30 3HG2 ILE 30 7.082 1.818 -5.330
215 HD11 ILE 30 3HD1 ILE 30 8.953 -1.122 -4.796
216 HD12 ILE 30 1HD1 ILE 30 7.404 -1.873 -4.414
217 HD13 ILE 30 2HD1 ILE 30 7.458 -0.423 -5.418
218 H HIS 31 H HIS 31 3.812 1.097 -2.285
219 HA HIS 31 HA HIS 31 2.950 3.529 -3.290
220 HB2 HIS 31 1HB HIS 31 1.534 1.543 -3.282
221 HB3 HIS 31 2HB HIS 31 1.444 1.588 -1.523
222 HD1 HIS 31 HD1 HIS 31 0.532 3.864 -4.438
223 HD2 HIS 31 HD2 HIS 31 -0.762 2.859 -0.620
224 HE1 HIS 31 HE1 HIS 31 -1.604 5.146 -4.093
225 H GLN 32 H GLN 32 2.816 2.453 0.109
226 HA GLN 32 HA GLN 32 1.762 4.577 1.373
227 HB2 GLN 32 1HB GLN 32 4.032 2.780 2.113
228 HB3 GLN 32 2HB GLN 32 3.654 4.142 3.158
229 HG2 GLN 32 1HG GLN 32 1.267 3.266 3.170
230 HG3 GLN 32 2HG GLN 32 1.927 1.793 2.462
231 HE21 GLN 32 1HE2 GLN 32 0.864 1.079 4.572
232 HE22 GLN 32 2HE2 GLN 32 1.902 0.992 5.949
233 H LYS 33 H LYS 33 5.135 4.378 0.282
234 HA LYS 33 HA LYS 33 6.092 6.775 1.259
235 HB2 LYS 33 1HB LYS 33 6.734 5.382 -1.344
236 HB3 LYS 33 2HB LYS 33 7.660 6.732 -0.702
237 HG2 LYS 33 1HG LYS 33 8.438 5.477 1.119
238 HG3 LYS 33 2HG LYS 33 7.229 4.215 0.872
239 HD2 LYS 33 1HD LYS 33 9.260 3.322 0.068
240 HD3 LYS 33 2HD LYS 33 8.343 3.786 -1.367
241 HE2 LYS 33 1HE LYS 33 10.283 5.700 -0.134
242 HE3 LYS 33 2HE LYS 33 10.861 4.409 -1.186
243 HZ1 LYS 33 3HZ LYS 33 8.672 5.675 -2.408
244 HZ2 LYS 33 1HZ LYS 33 10.277 5.601 -2.938
245 HZ3 LYS 33 2HZ LYS 33 9.777 6.863 -1.929
246 H CYS 34 H CYS 34 4.438 6.189 -1.832
247 HA CYS 34 HA CYS 34 4.546 8.559 -3.089
248 HB2 CYS 34 1HB CYS 34 2.046 6.910 -2.666
249 HB3 CYS 34 2HB CYS 34 2.218 8.169 -3.883
250 HG CYS 34 HG CYS 34 4.422 6.776 -5.119
251 H HIS 35 H HIS 35 2.430 7.853 -0.334
252 HA HIS 35 HA HIS 35 1.239 10.437 -0.267
253 HB2 HIS 35 1HB HIS 35 1.441 8.347 1.912
254 HB3 HIS 35 2HB HIS 35 0.376 9.749 1.935
255 HD1 HIS 35 HD1 HIS 35 -1.506 9.766 -0.003
256 HD2 HIS 35 HD2 HIS 35 0.390 6.139 0.710
257 HE1 HIS 35 HE1 HIS 35 -2.981 8.019 -1.050
258 H THR 36 H THR 36 3.117 11.798 -0.404
259 HA THR 36 HA THR 36 4.816 11.890 1.978
260 HB THR 36 HB THR 36 6.175 13.520 0.709
261 HG1 THR 36 HG1 THR 36 4.962 14.499 -0.769
262 HG21 THR 36 3HG2 THR 36 6.321 10.916 0.511
263 HG22 THR 36 1HG2 THR 36 7.259 11.936 -0.579
264 HG23 THR 36 2HG2 THR 36 5.753 11.204 -1.134
265 H GLY 37 H GLY 37 5.339 14.067 2.871
266 HA2 GLY 37 1HA GLY 37 3.140 15.996 2.604
267 HA3 GLY 37 2HA GLY 37 3.517 15.363 4.199
268 H GLU 38 H GLU 38 3.833 17.676 4.682
269 HA GLU 38 HA GLU 38 6.615 18.435 4.130
270 HB2 GLU 38 1HB GLU 38 5.224 19.777 2.644
271 HB3 GLU 38 2HB GLU 38 4.227 20.285 4.000
272 HG2 GLU 38 1HG GLU 38 5.927 21.949 3.185
273 HG3 GLU 38 2HG GLU 38 5.951 21.598 4.912
274 H ARG 39 H ARG 39 7.659 19.558 5.779
275 HA ARG 39 HA ARG 39 6.942 18.924 8.397
276 HB2 ARG 39 1HB ARG 39 8.766 21.134 7.431
277 HB3 ARG 39 2HB ARG 39 8.703 20.516 9.076
278 HG2 ARG 39 1HG ARG 39 9.264 18.665 6.801
279 HG3 ARG 39 2HG ARG 39 10.545 19.683 7.463
280 HD2 ARG 39 1HD ARG 39 10.796 17.795 8.742
281 HD3 ARG 39 2HD ARG 39 9.693 18.730 9.751
282 HE ARG 39 HE ARG 39 8.008 17.265 8.251
283 HH11 ARG 39 1HH1 ARG 39 10.812 16.428 10.136
284 HH12 ARG 39 2HH1 ARG 39 10.241 14.838 10.520
285 HH21 ARG 39 1HH2 ARG 39 7.245 15.174 8.749
286 HH22 ARG 39 2HH2 ARG 39 8.212 14.125 9.730
287 H HIS 40 H HIS 40 4.829 19.543 8.838
288 HA HIS 40 HA HIS 40 4.007 22.294 8.570
289 HB2 HIS 40 1HB HIS 40 2.424 20.408 8.253
290 HB3 HIS 40 2HB HIS 40 2.604 20.000 9.957
291 HD2 HIS 40 HD2 HIS 40 0.890 21.312 11.616
292 HE1 HIS 40 HE1 HIS 40 -0.483 24.203 8.831
293 HE2 HIS 40 HE2 HIS 40 -0.698 23.306 11.174
294 H SER 41 H SER 41 6.271 22.138 10.153
295 HA SER 41 HA SER 41 5.512 22.198 12.937
296 HB2 SER 41 1HB SER 41 7.734 21.374 12.257
297 HB3 SER 41 2HB SER 41 8.125 22.968 11.612
298 HG SER 41 HG SER 41 8.941 23.056 13.607
299 H GLY 42 H GLY 42 6.605 24.569 10.521
300 HA2 GLY 42 1HA GLY 42 5.507 26.730 10.423
301 HA3 GLY 42 2HA GLY 42 5.344 26.664 12.172
302 HA PRO 43 HA PRO 43 9.966 27.699 11.046
303 HB2 PRO 43 1HB PRO 43 10.286 28.825 8.597
304 HB3 PRO 43 2HB PRO 43 10.425 27.086 8.880
305 HG2 PRO 43 1HG PRO 43 8.110 28.650 7.807
306 HG3 PRO 43 2HG PRO 43 8.765 27.099 7.252
307 HD2 PRO 43 1HD PRO 43 6.558 27.274 8.810
308 HD3 PRO 43 2HD PRO 43 7.689 25.909 8.906
309 H SER 44 H SER 44 7.566 29.739 9.371
310 HA SER 44 HA SER 44 8.738 32.209 9.920
311 HB2 SER 44 1HB SER 44 6.524 33.174 9.467
312 HB3 SER 44 2HB SER 44 6.911 31.912 8.297
313 HG SER 44 HG SER 44 4.809 32.064 9.907
314 H SER 45 H SER 45 7.423 33.913 11.286
315 HA SER 45 HA SER 45 7.522 32.932 14.025
316 HB2 SER 45 1HB SER 45 7.485 35.672 12.781
317 HB3 SER 45 2HB SER 45 7.194 35.455 14.506
318 HG SER 45 HG SER 45 9.435 34.262 13.300
319 H GLY 46 H GLY 46 5.336 31.964 12.586
320 HA2 GLY 46 1HA GLY 46 3.071 31.674 12.811
321 HA3 GLY 46 2HA GLY 46 3.211 32.556 14.325
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -16.526 -20.016 18.907
2 HA2 GLY 1 1HA GLY 1 -14.735 -19.845 16.565
3 HA3 GLY 1 2HA GLY 1 -16.320 -20.596 16.455
4 H SER 2 H SER 2 -15.591 -18.508 14.795
5 HA SER 2 HA SER 2 -17.221 -16.284 15.838
6 HB2 SER 2 1HB SER 2 -15.936 -14.762 14.449
7 HB3 SER 2 2HB SER 2 -14.830 -15.693 15.460
8 HG SER 2 HG SER 2 -15.435 -16.732 12.951
9 H SER 3 H SER 3 -18.552 -15.160 14.299
10 HA SER 3 HA SER 3 -19.234 -16.771 11.928
11 HB2 SER 3 1HB SER 3 -21.617 -16.081 12.313
12 HB3 SER 3 2HB SER 3 -20.969 -17.147 13.560
13 HG SER 3 HG SER 3 -21.979 -15.499 14.618
14 H GLY 4 H GLY 4 -19.180 -15.693 10.068
15 HA2 GLY 4 1HA GLY 4 -20.201 -13.223 9.473
16 HA3 GLY 4 2HA GLY 4 -18.570 -12.889 10.037
17 H SER 5 H SER 5 -16.911 -13.110 8.654
18 HA SER 5 HA SER 5 -17.428 -14.485 6.102
19 HB2 SER 5 1HB SER 5 -16.248 -12.745 4.901
20 HB3 SER 5 2HB SER 5 -17.532 -12.001 5.852
21 HG SER 5 HG SER 5 -16.077 -10.929 6.913
22 H SER 6 H SER 6 -15.535 -15.288 5.010
23 HA SER 6 HA SER 6 -13.799 -16.715 6.637
24 HB2 SER 6 1HB SER 6 -13.683 -15.940 3.732
25 HB3 SER 6 2HB SER 6 -12.383 -16.873 4.474
26 HG SER 6 HG SER 6 -13.637 -18.502 4.019
27 H GLY 7 H GLY 7 -13.101 -13.760 4.764
28 HA2 GLY 7 1HA GLY 7 -11.824 -12.138 6.349
29 HA3 GLY 7 2HA GLY 7 -10.629 -13.426 6.315
30 H THR 8 H THR 8 -10.795 -14.180 3.638
31 HA THR 8 HA THR 8 -9.349 -11.982 2.422
32 HB THR 8 HB THR 8 -9.900 -14.750 1.335
33 HG1 THR 8 HG1 THR 8 -7.780 -15.181 2.065
34 HG21 THR 8 3HG2 THR 8 -9.359 -13.339 -0.490
35 HG22 THR 8 1HG2 THR 8 -7.870 -14.188 -0.078
36 HG23 THR 8 2HG2 THR 8 -8.099 -12.514 0.426
37 H GLY 9 H GLY 9 -10.024 -10.733 0.762
38 HA2 GLY 9 1HA GLY 9 -12.571 -11.431 -0.545
39 HA3 GLY 9 2HA GLY 9 -12.342 -9.828 0.138
40 H GLU 10 H GLU 10 -11.463 -8.290 -1.105
41 HA GLU 10 HA GLU 10 -11.003 -8.788 -3.856
42 HB2 GLU 10 1HB GLU 10 -10.515 -6.382 -2.107
43 HB3 GLU 10 2HB GLU 10 -10.153 -6.385 -3.827
44 HG2 GLU 10 1HG GLU 10 -12.874 -7.137 -2.847
45 HG3 GLU 10 2HG GLU 10 -12.410 -5.445 -3.011
46 H LYS 11 H LYS 11 -8.758 -7.637 -1.332
47 HA LYS 11 HA LYS 11 -6.626 -9.217 -2.549
48 HB2 LYS 11 1HB LYS 11 -6.401 -6.243 -2.049
49 HB3 LYS 11 2HB LYS 11 -5.071 -7.294 -2.515
50 HG2 LYS 11 1HG LYS 11 -7.541 -6.833 -4.173
51 HG3 LYS 11 2HG LYS 11 -6.008 -5.984 -4.390
52 HD2 LYS 11 1HD LYS 11 -4.886 -8.091 -4.861
53 HD3 LYS 11 2HD LYS 11 -6.389 -8.973 -4.580
54 HE2 LYS 11 1HE LYS 11 -7.413 -7.679 -6.449
55 HE3 LYS 11 2HE LYS 11 -5.826 -6.981 -6.773
56 HZ1 LYS 11 3HZ LYS 11 -5.580 -9.775 -6.630
57 HZ2 LYS 11 1HZ LYS 11 -5.311 -8.761 -7.957
58 HZ3 LYS 11 2HZ LYS 11 -6.850 -9.408 -7.685
59 HA PRO 12 HA PRO 12 -5.622 -9.988 1.666
60 HB2 PRO 12 1HB PRO 12 -3.042 -10.780 1.364
61 HB3 PRO 12 2HB PRO 12 -4.418 -11.787 0.895
62 HG2 PRO 12 1HG PRO 12 -2.670 -10.054 -0.809
63 HG3 PRO 12 2HG PRO 12 -3.278 -11.689 -1.129
64 HD2 PRO 12 1HD PRO 12 -4.404 -9.478 -2.214
65 HD3 PRO 12 2HD PRO 12 -5.346 -10.925 -1.801
66 H TYR 13 H TYR 13 -4.442 -7.416 -0.078
67 HA TYR 13 HA TYR 13 -3.232 -6.257 2.323
68 HB2 TYR 13 1HB TYR 13 -1.968 -5.946 -0.401
69 HB3 TYR 13 2HB TYR 13 -1.327 -5.408 1.148
70 HD1 TYR 13 HD1 TYR 13 -0.948 -7.340 2.911
71 HD2 TYR 13 HD2 TYR 13 -1.171 -7.922 -1.298
72 HE1 TYR 13 HE1 TYR 13 0.277 -9.460 3.145
73 HE2 TYR 13 HE2 TYR 13 0.052 -10.043 -1.075
74 HH TYR 13 HH TYR 13 1.360 -11.274 0.346
75 H LYS 14 H LYS 14 -3.740 -4.160 2.657
76 HA LYS 14 HA LYS 14 -4.912 -2.609 0.468
77 HB2 LYS 14 1HB LYS 14 -6.858 -3.524 1.507
78 HB3 LYS 14 2HB LYS 14 -6.239 -3.182 3.117
79 HG2 LYS 14 1HG LYS 14 -6.501 -0.814 2.766
80 HG3 LYS 14 2HG LYS 14 -6.984 -1.084 1.090
81 HD2 LYS 14 1HD LYS 14 -8.525 -2.454 3.234
82 HD3 LYS 14 2HD LYS 14 -8.767 -0.719 3.014
83 HE2 LYS 14 1HE LYS 14 -10.384 -1.681 1.640
84 HE3 LYS 14 2HE LYS 14 -9.075 -1.285 0.528
85 HZ1 LYS 14 3HZ LYS 14 -9.332 -3.965 1.755
86 HZ2 LYS 14 1HZ LYS 14 -8.421 -3.514 0.403
87 HZ3 LYS 14 2HZ LYS 14 -10.109 -3.565 0.307
88 H CYS 15 H CYS 15 -4.647 -0.397 0.642
89 HA CYS 15 HA CYS 15 -2.545 0.457 2.421
90 HB2 CYS 15 1HB CYS 15 -2.402 1.310 0.211
91 HB3 CYS 15 2HB CYS 15 -4.088 1.819 0.218
92 H SER 16 H SER 16 -2.676 2.200 3.899
93 HA SER 16 HA SER 16 -5.348 2.497 5.079
94 HB2 SER 16 1HB SER 16 -4.248 3.024 7.154
95 HB3 SER 16 2HB SER 16 -3.479 1.582 6.491
96 HG SER 16 HG SER 16 -2.512 4.244 6.470
97 H ASP 17 H ASP 17 -2.673 4.273 3.718
98 HA ASP 17 HA ASP 17 -3.221 6.851 4.570
99 HB2 ASP 17 1HB ASP 17 -2.305 6.134 1.781
100 HB3 ASP 17 2HB ASP 17 -1.979 7.621 2.667
101 H CYS 18 H CYS 18 -4.309 5.386 1.501
102 HA CYS 18 HA CYS 18 -6.505 7.342 1.446
103 HB2 CYS 18 1HB CYS 18 -6.651 6.792 -0.980
104 HB3 CYS 18 2HB CYS 18 -5.099 7.480 -0.513
105 H GLY 19 H GLY 19 -5.780 3.914 0.836
106 HA2 GLY 19 1HA GLY 19 -7.309 2.308 1.935
107 HA3 GLY 19 2HA GLY 19 -8.626 3.336 1.389
108 H LYS 20 H LYS 20 -5.792 2.436 -0.501
109 HA LYS 20 HA LYS 20 -7.553 1.334 -2.543
110 HB2 LYS 20 1HB LYS 20 -5.477 2.953 -2.838
111 HB3 LYS 20 2HB LYS 20 -4.587 1.437 -2.863
112 HG2 LYS 20 1HG LYS 20 -5.656 0.705 -4.807
113 HG3 LYS 20 2HG LYS 20 -6.954 1.891 -4.645
114 HD2 LYS 20 1HD LYS 20 -5.244 3.683 -5.006
115 HD3 LYS 20 2HD LYS 20 -4.073 2.413 -5.368
116 HE2 LYS 20 1HE LYS 20 -6.677 2.477 -6.827
117 HE3 LYS 20 2HE LYS 20 -5.396 3.594 -7.294
118 HZ1 LYS 20 3HZ LYS 20 -4.442 0.918 -6.972
119 HZ2 LYS 20 1HZ LYS 20 -4.275 1.970 -8.286
120 HZ3 LYS 20 2HZ LYS 20 -5.664 1.017 -8.138
121 H SER 21 H SER 21 -6.755 -0.662 -3.711
122 HA SER 21 HA SER 21 -5.952 -2.665 -1.710
123 HB2 SER 21 1HB SER 21 -7.593 -2.949 -4.236
124 HB3 SER 21 2HB SER 21 -7.058 -4.311 -3.251
125 HG SER 21 HG SER 21 -8.271 -3.500 -1.540
126 H PHE 22 H PHE 22 -4.432 -4.249 -2.241
127 HA PHE 22 HA PHE 22 -3.021 -4.002 -4.784
128 HB2 PHE 22 1HB PHE 22 -1.503 -3.954 -2.175
129 HB3 PHE 22 2HB PHE 22 -0.864 -3.713 -3.798
130 HD1 PHE 22 HD1 PHE 22 -3.333 -2.230 -1.433
131 HD2 PHE 22 HD2 PHE 22 -0.499 -1.567 -4.539
132 HE1 PHE 22 HE1 PHE 22 -3.636 0.199 -1.185
133 HE2 PHE 22 HE2 PHE 22 -0.796 0.863 -4.295
134 HZ PHE 22 HZ PHE 22 -2.365 1.749 -2.616
135 H THR 23 H THR 23 -2.135 -5.886 -5.501
136 HA THR 23 HA THR 23 -2.910 -8.294 -4.103
137 HB THR 23 HB THR 23 -1.415 -8.015 -6.717
138 HG1 THR 23 HG1 THR 23 -3.448 -8.226 -7.666
139 HG21 THR 23 3HG2 THR 23 -1.094 -10.216 -5.903
140 HG22 THR 23 1HG2 THR 23 -2.405 -10.325 -7.078
141 HG23 THR 23 2HG2 THR 23 -2.765 -10.335 -5.351
142 H TRP 24 H TRP 24 0.071 -6.620 -4.961
143 HA TRP 24 HA TRP 24 1.621 -8.669 -3.539
144 HB2 TRP 24 1HB TRP 24 2.475 -6.493 -5.455
145 HB3 TRP 24 2HB TRP 24 3.601 -7.533 -4.588
146 HD1 TRP 24 HD1 TRP 24 1.381 -7.440 -7.624
147 HE1 TRP 24 HE1 TRP 24 1.613 -9.647 -8.928
148 HE3 TRP 24 HE3 TRP 24 4.012 -10.148 -4.176
149 HZ2 TRP 24 HZ2 TRP 24 2.758 -12.198 -8.546
150 HZ3 TRP 24 HZ3 TRP 24 4.636 -12.464 -4.723
151 HH2 TRP 24 HH2 TRP 24 4.021 -13.467 -6.863
152 H LYS 25 H LYS 25 1.837 -8.244 -1.442
153 HA LYS 25 HA LYS 25 1.414 -5.913 -0.089
154 HB2 LYS 25 1HB LYS 25 3.032 -6.837 1.641
155 HB3 LYS 25 2HB LYS 25 1.696 -7.885 1.182
156 HG2 LYS 25 1HG LYS 25 3.216 -9.083 -0.355
157 HG3 LYS 25 2HG LYS 25 4.546 -8.080 0.228
158 HD2 LYS 25 1HD LYS 25 2.844 -9.866 1.967
159 HD3 LYS 25 2HD LYS 25 4.433 -10.298 1.330
160 HE2 LYS 25 1HE LYS 25 5.444 -8.449 2.534
161 HE3 LYS 25 2HE LYS 25 3.861 -7.933 3.115
162 HZ1 LYS 25 3HZ LYS 25 4.793 -9.138 4.866
163 HZ2 LYS 25 1HZ LYS 25 5.380 -10.360 3.853
164 HZ3 LYS 25 2HZ LYS 25 3.720 -10.230 4.146
165 H SER 26 H SER 26 4.499 -7.022 -1.454
166 HA SER 26 HA SER 26 6.220 -5.099 -0.567
167 HB2 SER 26 1HB SER 26 6.032 -6.577 -3.170
168 HB3 SER 26 2HB SER 26 7.265 -5.333 -2.961
169 HG SER 26 HG SER 26 7.777 -7.619 -2.352
170 H ARG 27 H ARG 27 4.142 -4.854 -3.448
171 HA ARG 27 HA ARG 27 4.875 -2.325 -4.295
172 HB2 ARG 27 1HB ARG 27 2.091 -3.501 -4.382
173 HB3 ARG 27 2HB ARG 27 2.709 -2.213 -5.407
174 HG2 ARG 27 1HG ARG 27 3.818 -5.010 -5.356
175 HG3 ARG 27 2HG ARG 27 2.608 -4.437 -6.505
176 HD2 ARG 27 1HD ARG 27 4.409 -2.528 -6.875
177 HD3 ARG 27 2HD ARG 27 5.500 -3.787 -6.297
178 HE ARG 27 HE ARG 27 5.243 -4.864 -8.295
179 HH11 ARG 27 1HH1 ARG 27 2.648 -2.575 -7.908
180 HH12 ARG 27 2HH1 ARG 27 2.027 -2.811 -9.508
181 HH21 ARG 27 1HH2 ARG 27 4.434 -5.184 -10.403
182 HH22 ARG 27 2HH2 ARG 27 3.043 -4.296 -10.926
183 H LEU 28 H LEU 28 2.337 -3.213 -1.970
184 HA LEU 28 HA LEU 28 1.289 -0.718 -1.442
185 HB2 LEU 28 1HB LEU 28 0.308 -2.715 -0.535
186 HB3 LEU 28 2HB LEU 28 1.748 -3.033 0.430
187 HG LEU 28 HG LEU 28 1.225 -0.877 1.663
188 HD11 LEU 28 1HD1 LEU 28 -0.836 -0.799 -0.317
189 HD12 LEU 28 2HD1 LEU 28 -0.415 0.403 0.903
190 HD13 LEU 28 3HD1 LEU 28 -1.562 -0.880 1.288
191 HD21 LEU 28 3HD2 LEU 28 -0.209 -3.453 1.802
192 HD22 LEU 28 1HD2 LEU 28 -0.906 -2.121 2.724
193 HD23 LEU 28 2HD2 LEU 28 0.759 -2.621 3.021
194 H ARG 29 H ARG 29 4.010 -2.300 0.227
195 HA ARG 29 HA ARG 29 4.680 -0.490 2.116
196 HB2 ARG 29 1HB ARG 29 6.576 -1.914 0.242
197 HB3 ARG 29 2HB ARG 29 7.067 -1.108 1.725
198 HG2 ARG 29 1HG ARG 29 5.977 -2.671 3.076
199 HG3 ARG 29 2HG ARG 29 5.002 -3.278 1.736
200 HD2 ARG 29 1HD ARG 29 6.560 -4.944 1.870
201 HD3 ARG 29 2HD ARG 29 7.369 -3.866 0.734
202 HE ARG 29 HE ARG 29 8.039 -3.343 3.474
203 HH11 ARG 29 1HH1 ARG 29 8.776 -5.281 0.677
204 HH12 ARG 29 2HH1 ARG 29 10.403 -5.610 1.172
205 HH21 ARG 29 1HH2 ARG 29 10.180 -3.770 4.137
206 HH22 ARG 29 2HH2 ARG 29 11.200 -4.751 3.141
207 H ILE 30 H ILE 30 5.423 -0.219 -1.336
208 HA ILE 30 HA ILE 30 6.796 2.285 -1.033
209 HB ILE 30 HB ILE 30 5.752 0.934 -3.525
210 HG12 ILE 30 1HG1 ILE 30 8.609 1.092 -2.572
211 HG13 ILE 30 2HG1 ILE 30 7.547 -0.237 -2.121
212 HG21 ILE 30 1HG2 ILE 30 7.842 3.088 -3.389
213 HG22 ILE 30 2HG2 ILE 30 6.986 2.474 -4.803
214 HG23 ILE 30 3HG2 ILE 30 6.129 3.448 -3.609
215 HD11 ILE 30 3HD1 ILE 30 9.008 -0.750 -4.036
216 HD12 ILE 30 1HD1 ILE 30 7.292 -0.874 -4.422
217 HD13 ILE 30 2HD1 ILE 30 8.215 0.532 -4.950
218 H HIS 31 H HIS 31 3.619 1.278 -2.257
219 HA HIS 31 HA HIS 31 2.635 3.695 -3.132
220 HB2 HIS 31 1HB HIS 31 1.377 1.662 -3.455
221 HB3 HIS 31 2HB HIS 31 1.185 1.451 -1.717
222 HD1 HIS 31 HD1 HIS 31 -0.297 3.131 -4.646
223 HD2 HIS 31 HD2 HIS 31 -0.666 3.275 -0.510
224 HE1 HIS 31 HE1 HIS 31 -2.434 4.381 -4.205
225 H GLN 32 H GLN 32 3.320 2.705 0.093
226 HA GLN 32 HA GLN 32 1.638 4.657 1.371
227 HB2 GLN 32 1HB GLN 32 3.863 2.898 2.406
228 HB3 GLN 32 2HB GLN 32 2.940 3.996 3.424
229 HG2 GLN 32 1HG GLN 32 0.972 2.769 3.168
230 HG3 GLN 32 2HG GLN 32 1.590 1.903 1.762
231 HE21 GLN 32 1HE2 GLN 32 0.684 0.135 3.193
232 HE22 GLN 32 2HE2 GLN 32 1.793 -0.614 4.286
233 H LYS 33 H LYS 33 5.131 4.311 0.808
234 HA LYS 33 HA LYS 33 5.766 6.859 1.932
235 HB2 LYS 33 1HB LYS 33 7.996 6.411 1.328
236 HB3 LYS 33 2HB LYS 33 7.311 4.836 1.705
237 HG2 LYS 33 1HG LYS 33 7.219 4.207 -0.543
238 HG3 LYS 33 2HG LYS 33 7.405 5.869 -1.106
239 HD2 LYS 33 1HD LYS 33 9.503 4.911 -1.476
240 HD3 LYS 33 2HD LYS 33 9.701 5.791 0.042
241 HE2 LYS 33 1HE LYS 33 9.007 3.503 1.107
242 HE3 LYS 33 2HE LYS 33 9.528 2.849 -0.445
243 HZ1 LYS 33 3HZ LYS 33 11.102 3.865 1.730
244 HZ2 LYS 33 1HZ LYS 33 11.549 4.520 0.235
245 HZ3 LYS 33 2HZ LYS 33 11.549 2.844 0.458
246 H CYS 34 H CYS 34 4.499 5.860 -1.051
247 HA CYS 34 HA CYS 34 5.583 8.012 -2.628
248 HB2 CYS 34 1HB CYS 34 4.477 7.070 -4.435
249 HB3 CYS 34 2HB CYS 34 4.739 5.664 -3.409
250 HG CYS 34 HG CYS 34 1.811 7.353 -3.118
251 H HIS 35 H HIS 35 3.189 7.789 -0.307
252 HA HIS 35 HA HIS 35 1.301 9.631 -1.437
253 HB2 HIS 35 1HB HIS 35 1.660 8.288 1.206
254 HB3 HIS 35 2HB HIS 35 0.626 9.711 1.124
255 HD1 HIS 35 HD1 HIS 35 -1.146 9.430 -1.111
256 HD2 HIS 35 HD2 HIS 35 0.194 6.053 0.904
257 HE1 HIS 35 HE1 HIS 35 -2.808 7.622 -1.651
258 H THR 36 H THR 36 3.609 10.877 -1.810
259 HA THR 36 HA THR 36 4.138 12.692 0.402
260 HB THR 36 HB THR 36 5.861 13.660 -1.158
261 HG1 THR 36 HG1 THR 36 6.309 12.432 -3.043
262 HG21 THR 36 3HG2 THR 36 7.054 12.255 0.118
263 HG22 THR 36 1HG2 THR 36 7.003 11.157 -1.261
264 HG23 THR 36 2HG2 THR 36 5.820 10.998 0.038
265 H GLY 37 H GLY 37 2.095 13.775 0.429
266 HA2 GLY 37 1HA GLY 37 1.587 16.154 -0.161
267 HA3 GLY 37 2HA GLY 37 1.727 15.638 -1.836
268 H GLU 38 H GLU 38 0.157 13.900 0.811
269 HA GLU 38 HA GLU 38 -2.487 14.673 0.072
270 HB2 GLU 38 1HB GLU 38 -1.648 13.018 -1.756
271 HB3 GLU 38 2HB GLU 38 -1.895 11.792 -0.521
272 HG2 GLU 38 1HG GLU 38 -4.207 12.213 -0.418
273 HG3 GLU 38 2HG GLU 38 -4.051 13.716 -1.325
274 H ARG 39 H ARG 39 -3.517 14.659 1.947
275 HA ARG 39 HA ARG 39 -3.094 12.402 3.782
276 HB2 ARG 39 1HB ARG 39 -3.122 15.336 4.501
277 HB3 ARG 39 2HB ARG 39 -3.260 14.041 5.682
278 HG2 ARG 39 1HG ARG 39 -0.937 14.249 3.792
279 HG3 ARG 39 2HG ARG 39 -0.967 15.061 5.359
280 HD2 ARG 39 1HD ARG 39 -1.001 13.044 6.535
281 HD3 ARG 39 2HD ARG 39 -1.524 12.126 5.124
282 HE ARG 39 HE ARG 39 1.063 13.327 4.808
283 HH11 ARG 39 1HH1 ARG 39 -0.672 10.574 6.044
284 HH12 ARG 39 2HH1 ARG 39 0.691 9.508 5.949
285 HH21 ARG 39 1HH2 ARG 39 2.864 11.934 4.678
286 HH22 ARG 39 2HH2 ARG 39 2.702 10.283 5.173
287 H HIS 40 H HIS 40 -4.915 11.540 4.576
288 HA HIS 40 HA HIS 40 -7.436 12.973 4.063
289 HB2 HIS 40 1HB HIS 40 -6.799 10.026 4.127
290 HB3 HIS 40 2HB HIS 40 -8.451 10.634 4.192
291 HD2 HIS 40 HD2 HIS 40 -9.332 9.995 1.694
292 HE1 HIS 40 HE1 HIS 40 -6.163 11.783 -0.488
293 HE2 HIS 40 HE2 HIS 40 -8.435 10.704 -0.626
294 H SER 41 H SER 41 -5.750 10.887 6.376
295 HA SER 41 HA SER 41 -7.629 10.691 8.371
296 HB2 SER 41 1HB SER 41 -4.638 10.796 8.384
297 HB3 SER 41 2HB SER 41 -5.499 10.824 9.923
298 HG SER 41 HG SER 41 -5.469 8.730 9.649
299 H GLY 42 H GLY 42 -8.652 12.088 9.644
300 HA2 GLY 42 1HA GLY 42 -8.001 14.031 11.237
301 HA3 GLY 42 2HA GLY 42 -7.680 14.861 9.721
302 HA PRO 43 HA PRO 43 -12.158 15.417 11.067
303 HB2 PRO 43 1HB PRO 43 -12.059 18.114 11.363
304 HB3 PRO 43 2HB PRO 43 -11.695 16.990 12.677
305 HG2 PRO 43 1HG PRO 43 -9.817 18.471 10.876
306 HG3 PRO 43 2HG PRO 43 -9.716 18.210 12.627
307 HD2 PRO 43 1HD PRO 43 -8.288 16.747 10.852
308 HD3 PRO 43 2HD PRO 43 -8.874 16.077 12.388
309 H SER 44 H SER 44 -13.790 16.776 9.944
310 HA SER 44 HA SER 44 -13.111 18.186 7.566
311 HB2 SER 44 1HB SER 44 -14.049 16.629 5.927
312 HB3 SER 44 2HB SER 44 -12.692 15.884 6.771
313 HG SER 44 HG SER 44 -14.050 14.348 7.202
314 H SER 45 H SER 45 -15.008 18.962 6.412
315 HA SER 45 HA SER 45 -17.075 19.739 8.175
316 HB2 SER 45 1HB SER 45 -16.781 19.951 5.176
317 HB3 SER 45 2HB SER 45 -18.161 20.616 6.050
318 HG SER 45 HG SER 45 -16.952 22.265 6.480
319 H GLY 46 H GLY 46 -18.386 18.211 8.998
320 HA2 GLY 46 1HA GLY 46 -20.612 17.235 8.077
321 HA3 GLY 46 2HA GLY 46 -19.514 16.192 7.186
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -22.745 7.794 -0.519
2 HA2 GLY 1 1HA GLY 1 -22.936 7.295 -2.946
3 HA3 GLY 1 2HA GLY 1 -22.351 8.929 -3.220
4 H SER 2 H SER 2 -21.252 6.352 -1.025
5 HA SER 2 HA SER 2 -18.579 6.616 -2.235
6 HB2 SER 2 1HB SER 2 -18.856 7.281 0.200
7 HB3 SER 2 2HB SER 2 -19.176 5.580 0.540
8 HG SER 2 HG SER 2 -17.114 5.093 -0.283
9 H SER 3 H SER 3 -18.896 5.057 -3.835
10 HA SER 3 HA SER 3 -19.771 2.398 -3.149
11 HB2 SER 3 1HB SER 3 -19.645 1.914 -5.453
12 HB3 SER 3 2HB SER 3 -20.124 3.610 -5.394
13 HG SER 3 HG SER 3 -18.163 2.710 -6.741
14 H GLY 4 H GLY 4 -18.547 0.693 -2.621
15 HA2 GLY 4 1HA GLY 4 -15.834 0.382 -3.440
16 HA3 GLY 4 2HA GLY 4 -15.930 0.907 -1.766
17 H SER 5 H SER 5 -17.927 -0.427 -0.667
18 HA SER 5 HA SER 5 -16.918 -3.107 -0.537
19 HB2 SER 5 1HB SER 5 -18.941 -1.501 0.942
20 HB3 SER 5 2HB SER 5 -19.099 -3.256 1.006
21 HG SER 5 HG SER 5 -17.142 -1.602 2.074
22 H SER 6 H SER 6 -17.685 -2.855 -3.081
23 HA SER 6 HA SER 6 -20.317 -4.153 -3.281
24 HB2 SER 6 1HB SER 6 -19.938 -2.049 -4.597
25 HB3 SER 6 2HB SER 6 -18.696 -2.904 -5.511
26 HG SER 6 HG SER 6 -21.477 -3.275 -5.501
27 H GLY 7 H GLY 7 -17.007 -4.341 -4.582
28 HA2 GLY 7 1HA GLY 7 -16.484 -6.968 -4.236
29 HA3 GLY 7 2HA GLY 7 -17.486 -6.974 -5.680
30 H THR 8 H THR 8 -14.573 -5.463 -4.317
31 HA THR 8 HA THR 8 -13.466 -5.364 -7.047
32 HB THR 8 HB THR 8 -11.997 -3.542 -6.269
33 HG1 THR 8 HG1 THR 8 -11.921 -3.023 -4.214
34 HG21 THR 8 3HG2 THR 8 -14.781 -3.408 -6.750
35 HG22 THR 8 1HG2 THR 8 -13.569 -2.156 -7.021
36 HG23 THR 8 2HG2 THR 8 -14.416 -2.244 -5.477
37 H GLY 9 H GLY 9 -13.327 -7.721 -5.542
38 HA2 GLY 9 1HA GLY 9 -11.825 -9.311 -4.847
39 HA3 GLY 9 2HA GLY 9 -10.627 -8.381 -5.737
40 H GLU 10 H GLU 10 -11.671 -9.396 -2.688
41 HA GLU 10 HA GLU 10 -10.542 -7.290 -1.122
42 HB2 GLU 10 1HB GLU 10 -12.330 -9.008 -0.429
43 HB3 GLU 10 2HB GLU 10 -10.984 -10.106 -0.160
44 HG2 GLU 10 1HG GLU 10 -11.803 -8.907 1.870
45 HG3 GLU 10 2HG GLU 10 -10.081 -8.731 1.540
46 H LYS 11 H LYS 11 -8.447 -7.038 -2.014
47 HA LYS 11 HA LYS 11 -6.538 -9.108 -2.175
48 HB2 LYS 11 1HB LYS 11 -6.029 -6.151 -1.805
49 HB3 LYS 11 2HB LYS 11 -4.892 -7.337 -2.434
50 HG2 LYS 11 1HG LYS 11 -7.515 -6.732 -3.767
51 HG3 LYS 11 2HG LYS 11 -6.024 -5.862 -4.134
52 HD2 LYS 11 1HD LYS 11 -5.014 -8.204 -4.520
53 HD3 LYS 11 2HD LYS 11 -6.691 -8.749 -4.605
54 HE2 LYS 11 1HE LYS 11 -5.499 -6.559 -6.302
55 HE3 LYS 11 2HE LYS 11 -5.709 -8.231 -6.821
56 HZ1 LYS 11 3HZ LYS 11 -7.604 -7.281 -7.630
57 HZ2 LYS 11 1HZ LYS 11 -7.732 -6.156 -6.373
58 HZ3 LYS 11 2HZ LYS 11 -8.163 -7.770 -6.110
59 HA PRO 12 HA PRO 12 -5.210 -9.678 1.972
60 HB2 PRO 12 1HB PRO 12 -2.590 -10.278 1.591
61 HB3 PRO 12 2HB PRO 12 -3.899 -11.393 1.184
62 HG2 PRO 12 1HG PRO 12 -2.347 -9.561 -0.603
63 HG3 PRO 12 2HG PRO 12 -2.839 -11.242 -0.880
64 HD2 PRO 12 1HD PRO 12 -4.165 -9.140 -1.954
65 HD3 PRO 12 2HD PRO 12 -4.981 -10.647 -1.489
66 H TYR 13 H TYR 13 -4.366 -7.027 0.195
67 HA TYR 13 HA TYR 13 -3.125 -5.759 2.521
68 HB2 TYR 13 1HB TYR 13 -2.020 -5.446 -0.276
69 HB3 TYR 13 2HB TYR 13 -1.391 -4.711 1.195
70 HD1 TYR 13 HD1 TYR 13 -0.326 -6.161 2.931
71 HD2 TYR 13 HD2 TYR 13 -1.418 -7.654 -0.901
72 HE1 TYR 13 HE1 TYR 13 1.153 -8.096 3.270
73 HE2 TYR 13 HE2 TYR 13 0.058 -9.594 -0.572
74 HH TYR 13 HH TYR 13 2.287 -9.780 2.072
75 H LYS 14 H LYS 14 -3.796 -3.712 2.874
76 HA LYS 14 HA LYS 14 -5.185 -2.273 0.738
77 HB2 LYS 14 1HB LYS 14 -6.885 -3.542 2.058
78 HB3 LYS 14 2HB LYS 14 -6.376 -2.657 3.490
79 HG2 LYS 14 1HG LYS 14 -7.240 -0.642 2.701
80 HG3 LYS 14 2HG LYS 14 -7.318 -1.222 1.036
81 HD2 LYS 14 1HD LYS 14 -9.045 -2.883 1.814
82 HD3 LYS 14 2HD LYS 14 -9.068 -2.021 3.355
83 HE2 LYS 14 1HE LYS 14 -9.654 -0.795 0.661
84 HE3 LYS 14 2HE LYS 14 -10.870 -1.302 1.832
85 HZ1 LYS 14 3HZ LYS 14 -10.240 0.368 3.314
86 HZ2 LYS 14 1HZ LYS 14 -10.223 1.136 1.806
87 HZ3 LYS 14 2HZ LYS 14 -8.770 0.659 2.528
88 H CYS 15 H CYS 15 -4.554 -0.221 0.656
89 HA CYS 15 HA CYS 15 -2.663 0.847 2.448
90 HB2 CYS 15 1HB CYS 15 -2.771 1.601 0.143
91 HB3 CYS 15 2HB CYS 15 -4.400 2.220 0.389
92 H SER 16 H SER 16 -2.856 1.974 4.281
93 HA SER 16 HA SER 16 -5.560 2.549 5.249
94 HB2 SER 16 1HB SER 16 -3.751 1.196 6.560
95 HB3 SER 16 2HB SER 16 -3.088 2.786 6.937
96 HG SER 16 HG SER 16 -5.164 3.333 7.785
97 H ASP 17 H ASP 17 -4.521 4.269 3.283
98 HA ASP 17 HA ASP 17 -4.346 6.760 4.830
99 HB2 ASP 17 1HB ASP 17 -2.664 6.023 2.428
100 HB3 ASP 17 2HB ASP 17 -2.776 7.651 3.091
101 H CYS 18 H CYS 18 -4.893 5.362 1.605
102 HA CYS 18 HA CYS 18 -6.863 7.496 1.107
103 HB2 CYS 18 1HB CYS 18 -6.516 6.976 -1.315
104 HB3 CYS 18 2HB CYS 18 -5.082 7.603 -0.509
105 H GLY 19 H GLY 19 -6.202 4.051 0.490
106 HA2 GLY 19 1HA GLY 19 -8.030 2.523 1.225
107 HA3 GLY 19 2HA GLY 19 -9.126 3.625 0.406
108 H LYS 20 H LYS 20 -5.981 2.450 -0.711
109 HA LYS 20 HA LYS 20 -7.270 1.502 -3.155
110 HB2 LYS 20 1HB LYS 20 -5.090 2.993 -2.930
111 HB3 LYS 20 2HB LYS 20 -4.312 1.424 -2.766
112 HG2 LYS 20 1HG LYS 20 -4.736 0.829 -4.924
113 HG3 LYS 20 2HG LYS 20 -6.197 1.815 -5.026
114 HD2 LYS 20 1HD LYS 20 -4.805 3.076 -6.324
115 HD3 LYS 20 2HD LYS 20 -4.442 3.782 -4.747
116 HE2 LYS 20 1HE LYS 20 -2.379 2.803 -4.633
117 HE3 LYS 20 2HE LYS 20 -2.856 1.427 -5.626
118 HZ1 LYS 20 3HZ LYS 20 -1.528 3.770 -6.414
119 HZ2 LYS 20 1HZ LYS 20 -3.019 3.714 -7.211
120 HZ3 LYS 20 2HZ LYS 20 -1.935 2.425 -7.355
121 H SER 21 H SER 21 -6.177 -0.521 -4.131
122 HA SER 21 HA SER 21 -5.785 -2.541 -2.024
123 HB2 SER 21 1HB SER 21 -7.630 -2.596 -4.388
124 HB3 SER 21 2HB SER 21 -6.958 -4.104 -3.770
125 HG SER 21 HG SER 21 -8.385 -2.198 -2.223
126 H PHE 22 H PHE 22 -4.130 -3.923 -2.315
127 HA PHE 22 HA PHE 22 -2.807 -3.971 -4.941
128 HB2 PHE 22 1HB PHE 22 -1.315 -3.935 -2.316
129 HB3 PHE 22 2HB PHE 22 -0.638 -3.810 -3.936
130 HD1 PHE 22 HD1 PHE 22 -2.910 -2.058 -1.574
131 HD2 PHE 22 HD2 PHE 22 -0.232 -1.728 -4.865
132 HE1 PHE 22 HE1 PHE 22 -3.045 0.395 -1.433
133 HE2 PHE 22 HE2 PHE 22 -0.361 0.725 -4.729
134 HZ PHE 22 HZ PHE 22 -1.768 1.790 -3.011
135 H THR 23 H THR 23 -2.017 -5.922 -5.601
136 HA THR 23 HA THR 23 -2.976 -8.246 -4.186
137 HB THR 23 HB THR 23 -1.386 -8.056 -6.753
138 HG1 THR 23 HG1 THR 23 -3.263 -7.741 -7.681
139 HG21 THR 23 3HG2 THR 23 -2.966 -10.413 -6.569
140 HG22 THR 23 1HG2 THR 23 -1.989 -10.294 -5.107
141 HG23 THR 23 2HG2 THR 23 -1.212 -10.274 -6.690
142 H TRP 24 H TRP 24 0.178 -6.909 -5.102
143 HA TRP 24 HA TRP 24 1.532 -8.988 -3.561
144 HB2 TRP 24 1HB TRP 24 2.485 -6.866 -5.474
145 HB3 TRP 24 2HB TRP 24 3.610 -7.758 -4.454
146 HD1 TRP 24 HD1 TRP 24 0.889 -8.527 -7.114
147 HE1 TRP 24 HE1 TRP 24 1.629 -10.621 -8.416
148 HE3 TRP 24 HE3 TRP 24 5.150 -9.637 -4.515
149 HZ2 TRP 24 HZ2 TRP 24 3.739 -12.495 -8.349
150 HZ3 TRP 24 HZ3 TRP 24 6.471 -11.597 -5.197
151 HH2 TRP 24 HH2 TRP 24 5.778 -12.995 -7.075
152 H LYS 25 H LYS 25 3.134 -8.441 -1.961
153 HA LYS 25 HA LYS 25 2.218 -6.397 -0.175
154 HB2 LYS 25 1HB LYS 25 3.019 -8.414 0.810
155 HB3 LYS 25 2HB LYS 25 4.531 -8.331 -0.085
156 HG2 LYS 25 1HG LYS 25 4.980 -7.725 2.169
157 HG3 LYS 25 2HG LYS 25 5.088 -6.261 1.189
158 HD2 LYS 25 1HD LYS 25 2.581 -5.971 1.846
159 HD3 LYS 25 2HD LYS 25 2.990 -7.078 3.158
160 HE2 LYS 25 1HE LYS 25 4.565 -5.592 4.065
161 HE3 LYS 25 2HE LYS 25 4.624 -4.623 2.594
162 HZ1 LYS 25 3HZ LYS 25 2.293 -3.980 3.042
163 HZ2 LYS 25 1HZ LYS 25 3.371 -3.455 4.235
164 HZ3 LYS 25 2HZ LYS 25 2.376 -4.791 4.524
165 H SER 26 H SER 26 5.317 -6.955 -1.851
166 HA SER 26 HA SER 26 6.701 -4.724 -1.126
167 HB2 SER 26 1HB SER 26 7.891 -4.882 -3.272
168 HB3 SER 26 2HB SER 26 7.625 -6.481 -2.578
169 HG SER 26 HG SER 26 6.057 -5.263 -4.608
170 H ARG 27 H ARG 27 4.308 -4.947 -3.736
171 HA ARG 27 HA ARG 27 4.510 -2.408 -4.794
172 HB2 ARG 27 1HB ARG 27 1.997 -4.037 -4.377
173 HB3 ARG 27 2HB ARG 27 2.142 -2.659 -5.459
174 HG2 ARG 27 1HG ARG 27 3.990 -4.977 -5.777
175 HG3 ARG 27 2HG ARG 27 2.336 -5.082 -6.383
176 HD2 ARG 27 1HD ARG 27 4.156 -2.788 -7.061
177 HD3 ARG 27 2HD ARG 27 4.123 -4.274 -8.009
178 HE ARG 27 HE ARG 27 2.092 -2.214 -7.918
179 HH11 ARG 27 1HH1 ARG 27 2.891 -5.486 -8.798
180 HH12 ARG 27 2HH1 ARG 27 1.604 -5.629 -9.949
181 HH21 ARG 27 1HH2 ARG 27 0.394 -2.390 -9.431
182 HH22 ARG 27 2HH2 ARG 27 0.185 -3.867 -10.309
183 H LEU 28 H LEU 28 2.215 -3.417 -2.253
184 HA LEU 28 HA LEU 28 1.078 -1.015 -1.641
185 HB2 LEU 28 1HB LEU 28 0.385 -3.076 -0.594
186 HB3 LEU 28 2HB LEU 28 1.922 -3.196 0.260
187 HG LEU 28 HG LEU 28 1.250 -1.013 1.411
188 HD11 LEU 28 1HD1 LEU 28 -1.320 -0.893 1.569
189 HD12 LEU 28 2HD1 LEU 28 -1.301 -1.758 0.032
190 HD13 LEU 28 3HD1 LEU 28 -0.523 -0.181 0.166
191 HD21 LEU 28 3HD2 LEU 28 0.963 -2.458 3.069
192 HD22 LEU 28 1HD2 LEU 28 0.586 -3.746 1.924
193 HD23 LEU 28 2HD2 LEU 28 -0.701 -2.706 2.537
194 H ARG 29 H ARG 29 4.034 -2.315 -0.126
195 HA ARG 29 HA ARG 29 4.687 -0.287 1.569
196 HB2 ARG 29 1HB ARG 29 6.574 -1.838 -0.213
197 HB3 ARG 29 2HB ARG 29 7.068 -0.885 1.180
198 HG2 ARG 29 1HG ARG 29 5.302 -2.425 2.405
199 HG3 ARG 29 2HG ARG 29 5.687 -3.505 1.064
200 HD2 ARG 29 1HD ARG 29 7.895 -3.728 1.705
201 HD3 ARG 29 2HD ARG 29 7.894 -2.209 2.601
202 HE ARG 29 HE ARG 29 6.193 -4.286 3.681
203 HH11 ARG 29 1HH1 ARG 29 9.327 -2.769 3.719
204 HH12 ARG 29 2HH1 ARG 29 9.728 -3.340 5.305
205 HH21 ARG 29 1HH2 ARG 29 6.710 -5.044 5.769
206 HH22 ARG 29 2HH2 ARG 29 8.240 -4.635 6.470
207 H ILE 30 H ILE 30 5.784 -0.470 -1.823
208 HA ILE 30 HA ILE 30 7.057 1.961 -2.001
209 HB ILE 30 HB ILE 30 5.393 0.637 -4.146
210 HG12 ILE 30 1HG1 ILE 30 8.382 0.501 -3.758
211 HG13 ILE 30 2HG1 ILE 30 7.284 -0.691 -3.070
212 HG21 ILE 30 1HG2 ILE 30 6.460 1.980 -5.738
213 HG22 ILE 30 2HG2 ILE 30 6.028 3.095 -4.442
214 HG23 ILE 30 3HG2 ILE 30 7.688 2.518 -4.591
215 HD11 ILE 30 3HD1 ILE 30 7.139 -0.101 -5.983
216 HD12 ILE 30 1HD1 ILE 30 8.447 -1.110 -5.365
217 HD13 ILE 30 2HD1 ILE 30 6.768 -1.589 -5.111
218 H HIS 31 H HIS 31 3.610 1.277 -2.186
219 HA HIS 31 HA HIS 31 2.850 3.911 -2.980
220 HB2 HIS 31 1HB HIS 31 1.415 1.964 -3.411
221 HB3 HIS 31 2HB HIS 31 1.210 1.726 -1.678
222 HD1 HIS 31 HD1 HIS 31 0.082 3.864 -4.517
223 HD2 HIS 31 HD2 HIS 31 -0.552 3.521 -0.426
224 HE1 HIS 31 HE1 HIS 31 -1.923 5.300 -4.025
225 H GLN 32 H GLN 32 2.444 2.169 0.110
226 HA GLN 32 HA GLN 32 1.427 4.054 1.726
227 HB2 GLN 32 1HB GLN 32 3.699 2.161 2.321
228 HB3 GLN 32 2HB GLN 32 2.917 3.132 3.562
229 HG2 GLN 32 1HG GLN 32 0.739 2.036 2.600
230 HG3 GLN 32 2HG GLN 32 1.870 0.812 2.024
231 HE21 GLN 32 1HE2 GLN 32 -0.266 0.763 4.093
232 HE22 GLN 32 2HE2 GLN 32 0.509 0.179 5.522
233 H LYS 33 H LYS 33 4.945 3.740 1.214
234 HA LYS 33 HA LYS 33 5.613 6.136 2.534
235 HB2 LYS 33 1HB LYS 33 7.813 5.848 1.632
236 HB3 LYS 33 2HB LYS 33 7.187 4.254 2.030
237 HG2 LYS 33 1HG LYS 33 8.052 3.806 -0.017
238 HG3 LYS 33 2HG LYS 33 6.434 4.317 -0.506
239 HD2 LYS 33 1HD LYS 33 7.180 6.412 -1.215
240 HD3 LYS 33 2HD LYS 33 8.680 6.293 -0.291
241 HE2 LYS 33 1HE LYS 33 9.149 4.259 -1.854
242 HE3 LYS 33 2HE LYS 33 7.944 5.020 -2.893
243 HZ1 LYS 33 3HZ LYS 33 10.220 6.572 -1.838
244 HZ2 LYS 33 1HZ LYS 33 9.266 6.879 -3.201
245 HZ3 LYS 33 2HZ LYS 33 10.395 5.621 -3.225
246 H CYS 34 H CYS 34 4.835 5.414 -0.820
247 HA CYS 34 HA CYS 34 5.661 7.619 -2.171
248 HB2 CYS 34 1HB CYS 34 4.280 5.641 -3.025
249 HB3 CYS 34 2HB CYS 34 2.863 6.551 -2.516
250 HG CYS 34 HG CYS 34 3.841 6.612 -5.398
251 H HIS 35 H HIS 35 2.542 7.392 -0.455
252 HA HIS 35 HA HIS 35 1.412 9.777 -0.816
253 HB2 HIS 35 1HB HIS 35 1.754 8.216 1.726
254 HB3 HIS 35 2HB HIS 35 0.876 9.742 1.731
255 HD1 HIS 35 HD1 HIS 35 -1.283 9.819 0.136
256 HD2 HIS 35 HD2 HIS 35 0.307 6.055 0.889
257 HE1 HIS 35 HE1 HIS 35 -3.086 8.188 -0.503
258 H THR 36 H THR 36 3.697 9.379 1.895
259 HA THR 36 HA THR 36 4.106 12.219 2.073
260 HB THR 36 HB THR 36 4.138 10.744 4.076
261 HG1 THR 36 HG1 THR 36 6.362 11.663 4.752
262 HG21 THR 36 3HG2 THR 36 6.921 9.918 3.382
263 HG22 THR 36 1HG2 THR 36 5.567 8.992 2.736
264 HG23 THR 36 2HG2 THR 36 5.765 9.165 4.480
265 H GLY 37 H GLY 37 5.733 13.413 1.259
266 HA2 GLY 37 1HA GLY 37 8.313 12.549 0.654
267 HA3 GLY 37 2HA GLY 37 7.358 12.372 -0.811
268 H GLU 38 H GLU 38 7.015 14.113 -2.065
269 HA GLU 38 HA GLU 38 7.614 16.765 -0.948
270 HB2 GLU 38 1HB GLU 38 8.721 17.325 -3.140
271 HB3 GLU 38 2HB GLU 38 9.604 16.194 -2.124
272 HG2 GLU 38 1HG GLU 38 9.230 14.422 -3.528
273 HG3 GLU 38 2HG GLU 38 7.764 15.128 -4.205
274 H ARG 39 H ARG 39 5.260 16.863 -0.848
275 HA ARG 39 HA ARG 39 3.878 17.030 -3.412
276 HB2 ARG 39 1HB ARG 39 2.790 15.826 -1.567
277 HB3 ARG 39 2HB ARG 39 2.822 17.287 -0.590
278 HG2 ARG 39 1HG ARG 39 1.385 18.388 -2.290
279 HG3 ARG 39 2HG ARG 39 1.268 16.838 -3.127
280 HD2 ARG 39 1HD ARG 39 0.348 15.853 -1.034
281 HD3 ARG 39 2HD ARG 39 0.340 17.469 -0.329
282 HE ARG 39 HE ARG 39 -1.094 17.205 -2.827
283 HH11 ARG 39 1HH1 ARG 39 -1.255 17.121 0.650
284 HH12 ARG 39 2HH1 ARG 39 -2.960 17.427 0.708
285 HH21 ARG 39 1HH2 ARG 39 -3.338 17.609 -2.763
286 HH22 ARG 39 2HH2 ARG 39 -4.143 17.703 -1.234
287 H HIS 40 H HIS 40 4.476 18.911 -4.384
288 HA HIS 40 HA HIS 40 4.890 21.161 -4.656
289 HB2 HIS 40 1HB HIS 40 2.475 20.940 -5.037
290 HB3 HIS 40 2HB HIS 40 2.175 21.203 -3.321
291 HD2 HIS 40 HD2 HIS 40 0.689 23.518 -4.090
292 HE1 HIS 40 HE1 HIS 40 4.135 25.757 -5.143
293 HE2 HIS 40 HE2 HIS 40 1.679 25.854 -4.594
294 H SER 41 H SER 41 6.252 20.314 -2.417
295 HA SER 41 HA SER 41 5.690 21.770 -0.070
296 HB2 SER 41 1HB SER 41 7.321 19.763 -0.487
297 HB3 SER 41 2HB SER 41 8.496 21.032 -0.831
298 HG SER 41 HG SER 41 6.936 21.071 1.520
299 H GLY 42 H GLY 42 6.238 23.778 0.605
300 HA2 GLY 42 1HA GLY 42 7.538 25.513 -1.393
301 HA3 GLY 42 2HA GLY 42 6.402 26.061 -0.169
302 HA PRO 43 HA PRO 43 10.614 27.112 1.367
303 HB2 PRO 43 1HB PRO 43 9.876 29.515 2.391
304 HB3 PRO 43 2HB PRO 43 10.339 29.293 0.699
305 HG2 PRO 43 1HG PRO 43 7.605 29.456 1.910
306 HG3 PRO 43 2HG PRO 43 8.217 30.204 0.423
307 HD2 PRO 43 1HD PRO 43 6.718 27.949 0.409
308 HD3 PRO 43 2HD PRO 43 7.979 28.265 -0.800
309 H SER 44 H SER 44 10.255 25.365 2.891
310 HA SER 44 HA SER 44 9.680 24.434 4.917
311 HB2 SER 44 1HB SER 44 10.920 27.099 5.593
312 HB3 SER 44 2HB SER 44 10.509 25.918 6.835
313 HG SER 44 HG SER 44 12.509 25.326 6.351
314 H SER 45 H SER 45 7.389 25.406 3.772
315 HA SER 45 HA SER 45 5.987 26.747 5.986
316 HB2 SER 45 1HB SER 45 6.046 27.677 3.519
317 HB3 SER 45 2HB SER 45 4.780 26.477 3.259
318 HG SER 45 HG SER 45 4.127 28.679 3.951
319 H GLY 46 H GLY 46 5.483 24.258 3.481
320 HA2 GLY 46 1HA GLY 46 3.300 23.106 5.021
321 HA3 GLY 46 2HA GLY 46 3.842 22.590 3.431
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -13.329 5.459 -9.587
2 HA2 GLY 1 1HA GLY 1 -12.646 6.170 -12.324
3 HA3 GLY 1 2HA GLY 1 -11.787 4.787 -11.662
4 H SER 2 H SER 2 -14.789 5.976 -12.894
5 HA SER 2 HA SER 2 -16.493 3.877 -12.145
6 HB2 SER 2 1HB SER 2 -17.903 4.610 -14.048
7 HB3 SER 2 2HB SER 2 -17.357 5.967 -13.062
8 HG SER 2 HG SER 2 -15.517 5.837 -14.786
9 H SER 3 H SER 3 -15.481 1.894 -12.384
10 HA SER 3 HA SER 3 -15.486 0.847 -15.100
11 HB2 SER 3 1HB SER 3 -13.061 0.713 -13.294
12 HB3 SER 3 2HB SER 3 -13.255 -0.230 -14.771
13 HG SER 3 HG SER 3 -13.522 1.849 -15.851
14 H GLY 4 H GLY 4 -14.975 -1.609 -15.004
15 HA2 GLY 4 1HA GLY 4 -16.855 -2.760 -13.171
16 HA3 GLY 4 2HA GLY 4 -15.902 -3.625 -14.368
17 H SER 5 H SER 5 -16.518 -3.697 -11.266
18 HA SER 5 HA SER 5 -13.777 -3.891 -10.285
19 HB2 SER 5 1HB SER 5 -16.446 -4.104 -8.875
20 HB3 SER 5 2HB SER 5 -14.888 -4.290 -8.070
21 HG SER 5 HG SER 5 -15.507 -2.169 -7.848
22 H SER 6 H SER 6 -16.672 -5.918 -10.620
23 HA SER 6 HA SER 6 -15.859 -8.271 -9.524
24 HB2 SER 6 1HB SER 6 -17.403 -9.397 -10.959
25 HB3 SER 6 2HB SER 6 -18.065 -7.786 -10.679
26 HG SER 6 HG SER 6 -18.152 -8.350 -12.885
27 H GLY 7 H GLY 7 -14.101 -9.474 -9.752
28 HA2 GLY 7 1HA GLY 7 -13.161 -10.689 -12.002
29 HA3 GLY 7 2HA GLY 7 -12.342 -9.134 -12.005
30 H THR 8 H THR 8 -10.432 -10.587 -11.884
31 HA THR 8 HA THR 8 -9.918 -12.043 -9.484
32 HB THR 8 HB THR 8 -7.959 -11.070 -11.573
33 HG1 THR 8 HG1 THR 8 -8.837 -13.728 -11.385
34 HG21 THR 8 3HG2 THR 8 -6.511 -11.701 -9.942
35 HG22 THR 8 1HG2 THR 8 -6.862 -13.309 -10.575
36 HG23 THR 8 2HG2 THR 8 -7.697 -12.726 -9.135
37 H GLY 9 H GLY 9 -10.049 -10.794 -7.666
38 HA2 GLY 9 1HA GLY 9 -8.489 -8.313 -7.560
39 HA3 GLY 9 2HA GLY 9 -9.706 -8.816 -6.396
40 H GLU 10 H GLU 10 -9.098 -10.940 -5.229
41 HA GLU 10 HA GLU 10 -7.767 -11.687 -3.508
42 HB2 GLU 10 1HB GLU 10 -6.032 -11.964 -5.959
43 HB3 GLU 10 2HB GLU 10 -5.583 -12.637 -4.398
44 HG2 GLU 10 1HG GLU 10 -7.947 -13.365 -6.102
45 HG3 GLU 10 2HG GLU 10 -6.568 -14.375 -5.673
46 H LYS 11 H LYS 11 -7.798 -9.041 -3.237
47 HA LYS 11 HA LYS 11 -4.983 -8.314 -2.752
48 HB2 LYS 11 1HB LYS 11 -5.773 -5.929 -2.909
49 HB3 LYS 11 2HB LYS 11 -5.827 -6.831 -4.419
50 HG2 LYS 11 1HG LYS 11 -8.285 -7.284 -3.819
51 HG3 LYS 11 2HG LYS 11 -8.091 -5.961 -2.667
52 HD2 LYS 11 1HD LYS 11 -8.817 -4.785 -4.488
53 HD3 LYS 11 2HD LYS 11 -7.077 -4.740 -4.781
54 HE2 LYS 11 1HE LYS 11 -7.242 -6.582 -6.324
55 HE3 LYS 11 2HE LYS 11 -8.951 -6.794 -5.946
56 HZ1 LYS 11 3HZ LYS 11 -9.379 -5.414 -7.608
57 HZ2 LYS 11 1HZ LYS 11 -7.741 -5.048 -7.823
58 HZ3 LYS 11 2HZ LYS 11 -8.669 -4.163 -6.719
59 HA PRO 12 HA PRO 12 -7.168 -8.624 1.331
60 HB2 PRO 12 1HB PRO 12 -5.144 -9.939 2.574
61 HB3 PRO 12 2HB PRO 12 -6.405 -10.767 1.654
62 HG2 PRO 12 1HG PRO 12 -3.621 -10.041 0.825
63 HG3 PRO 12 2HG PRO 12 -4.515 -11.547 0.546
64 HD2 PRO 12 1HD PRO 12 -4.245 -9.640 -1.357
65 HD3 PRO 12 2HD PRO 12 -5.686 -10.671 -1.236
66 H TYR 13 H TYR 13 -4.671 -6.947 -0.002
67 HA TYR 13 HA TYR 13 -3.819 -5.755 2.547
68 HB2 TYR 13 1HB TYR 13 -2.567 -5.607 -0.203
69 HB3 TYR 13 2HB TYR 13 -1.959 -4.768 1.221
70 HD1 TYR 13 HD2 TYR 13 -2.663 -8.155 -0.137
71 HD2 TYR 13 HD1 TYR 13 -0.495 -5.844 2.702
72 HE1 TYR 13 HE2 TYR 13 -1.337 -10.140 0.458
73 HE2 TYR 13 HE1 TYR 13 0.838 -7.821 3.303
74 HH TYR 13 HH TYR 13 1.080 -10.027 3.046
75 H LYS 14 H LYS 14 -4.467 -3.777 3.086
76 HA LYS 14 HA LYS 14 -5.584 -2.041 0.984
77 HB2 LYS 14 1HB LYS 14 -7.243 -3.185 2.627
78 HB3 LYS 14 2HB LYS 14 -6.638 -2.020 3.797
79 HG2 LYS 14 1HG LYS 14 -7.368 -0.186 2.423
80 HG3 LYS 14 2HG LYS 14 -7.847 -1.295 1.136
81 HD2 LYS 14 1HD LYS 14 -9.663 -2.111 2.352
82 HD3 LYS 14 2HD LYS 14 -9.016 -1.530 3.888
83 HE2 LYS 14 1HE LYS 14 -9.608 0.682 3.435
84 HE3 LYS 14 2HE LYS 14 -9.771 0.381 1.706
85 HZ1 LYS 14 3HZ LYS 14 -11.904 -0.092 1.979
86 HZ2 LYS 14 1HZ LYS 14 -11.779 0.367 3.603
87 HZ3 LYS 14 2HZ LYS 14 -11.565 -1.252 3.163
88 H CYS 15 H CYS 15 -4.850 -0.001 0.944
89 HA CYS 15 HA CYS 15 -2.729 0.739 2.747
90 HB2 CYS 15 1HB CYS 15 -2.406 1.357 0.475
91 HB3 CYS 15 2HB CYS 15 -4.001 2.094 0.372
92 H SER 16 H SER 16 -3.230 1.434 4.721
93 HA SER 16 HA SER 16 -5.709 2.634 5.404
94 HB2 SER 16 1HB SER 16 -4.064 1.340 6.920
95 HB3 SER 16 2HB SER 16 -3.212 2.877 7.069
96 HG SER 16 HG SER 16 -4.745 3.599 8.322
97 H ASP 17 H ASP 17 -2.749 3.870 4.176
98 HA ASP 17 HA ASP 17 -2.748 6.477 5.159
99 HB2 ASP 17 1HB ASP 17 -1.067 5.167 3.593
100 HB3 ASP 17 2HB ASP 17 -1.969 5.980 2.317
101 H CYS 18 H CYS 18 -4.076 5.343 2.046
102 HA CYS 18 HA CYS 18 -5.852 7.694 2.059
103 HB2 CYS 18 1HB CYS 18 -5.937 7.485 -0.383
104 HB3 CYS 18 2HB CYS 18 -4.278 7.672 0.177
105 H GLY 19 H GLY 19 -5.685 4.257 1.155
106 HA2 GLY 19 1HA GLY 19 -7.557 2.898 2.105
107 HA3 GLY 19 2HA GLY 19 -8.622 4.145 1.474
108 H LYS 20 H LYS 20 -5.873 2.315 0.129
109 HA LYS 20 HA LYS 20 -7.574 1.680 -2.190
110 HB2 LYS 20 1HB LYS 20 -4.631 2.198 -1.922
111 HB3 LYS 20 2HB LYS 20 -5.238 1.236 -3.263
112 HG2 LYS 20 1HG LYS 20 -6.708 3.121 -3.897
113 HG3 LYS 20 2HG LYS 20 -5.972 4.082 -2.612
114 HD2 LYS 20 1HD LYS 20 -4.693 4.735 -4.400
115 HD3 LYS 20 2HD LYS 20 -3.739 3.372 -3.811
116 HE2 LYS 20 1HE LYS 20 -3.841 2.871 -6.044
117 HE3 LYS 20 2HE LYS 20 -5.265 2.011 -5.462
118 HZ1 LYS 20 3HZ LYS 20 -5.219 4.677 -6.766
119 HZ2 LYS 20 1HZ LYS 20 -6.600 3.965 -6.098
120 HZ3 LYS 20 2HZ LYS 20 -5.831 3.242 -7.419
121 H SER 21 H SER 21 -6.565 -0.368 -3.368
122 HA SER 21 HA SER 21 -6.079 -2.443 -1.338
123 HB2 SER 21 1HB SER 21 -7.487 -3.965 -2.830
124 HB3 SER 21 2HB SER 21 -8.364 -2.746 -1.905
125 HG SER 21 HG SER 21 -7.928 -2.935 -4.647
126 H PHE 22 H PHE 22 -4.349 -3.652 -1.732
127 HA PHE 22 HA PHE 22 -3.294 -3.726 -4.483
128 HB2 PHE 22 1HB PHE 22 -1.718 -3.783 -1.900
129 HB3 PHE 22 2HB PHE 22 -1.039 -3.867 -3.523
130 HD1 PHE 22 HD1 PHE 22 -3.065 -1.690 -1.298
131 HD2 PHE 22 HD2 PHE 22 -0.446 -1.925 -4.645
132 HE1 PHE 22 HE1 PHE 22 -2.932 0.766 -1.362
133 HE2 PHE 22 HE2 PHE 22 -0.308 0.530 -4.714
134 HZ PHE 22 HZ PHE 22 -1.551 1.879 -3.070
135 H THR 23 H THR 23 -2.285 -5.659 -5.169
136 HA THR 23 HA THR 23 -3.480 -8.030 -4.040
137 HB THR 23 HB THR 23 -1.542 -7.806 -6.350
138 HG1 THR 23 HG1 THR 23 -4.385 -7.743 -6.238
139 HG21 THR 23 3HG2 THR 23 -1.524 -10.040 -6.164
140 HG22 THR 23 1HG2 THR 23 -3.177 -9.978 -6.774
141 HG23 THR 23 2HG2 THR 23 -2.880 -10.043 -5.037
142 H TRP 24 H TRP 24 -0.152 -6.920 -4.659
143 HA TRP 24 HA TRP 24 0.843 -9.012 -2.866
144 HB2 TRP 24 1HB TRP 24 2.160 -7.261 -4.930
145 HB3 TRP 24 2HB TRP 24 3.109 -8.146 -3.739
146 HD1 TRP 24 HD1 TRP 24 1.030 -8.650 -6.885
147 HE1 TRP 24 HE1 TRP 24 1.357 -11.060 -7.726
148 HE3 TRP 24 HE3 TRP 24 3.624 -10.550 -2.911
149 HZ2 TRP 24 HZ2 TRP 24 2.555 -13.452 -6.823
150 HZ3 TRP 24 HZ3 TRP 24 4.323 -12.908 -2.978
151 HH2 TRP 24 HH2 TRP 24 3.798 -14.327 -4.894
152 H LYS 25 H LYS 25 2.144 -8.557 -1.084
153 HA LYS 25 HA LYS 25 1.478 -6.246 0.384
154 HB2 LYS 25 1HB LYS 25 2.123 -8.388 1.423
155 HB3 LYS 25 2HB LYS 25 3.764 -8.176 0.828
156 HG2 LYS 25 1HG LYS 25 3.845 -6.038 2.160
157 HG3 LYS 25 2HG LYS 25 2.327 -6.547 2.903
158 HD2 LYS 25 1HD LYS 25 3.600 -8.752 3.400
159 HD3 LYS 25 2HD LYS 25 5.048 -7.783 3.114
160 HE2 LYS 25 1HE LYS 25 4.728 -7.613 5.412
161 HE3 LYS 25 2HE LYS 25 4.010 -6.128 4.791
162 HZ1 LYS 25 3HZ LYS 25 1.998 -8.026 4.795
163 HZ2 LYS 25 1HZ LYS 25 2.157 -6.698 5.831
164 HZ3 LYS 25 2HZ LYS 25 2.792 -8.201 6.278
165 H SER 26 H SER 26 4.717 -7.223 -0.755
166 HA SER 26 HA SER 26 6.184 -5.037 -0.253
167 HB2 SER 26 1HB SER 26 6.864 -7.130 -1.560
168 HB3 SER 26 2HB SER 26 6.292 -6.286 -2.998
169 HG SER 26 HG SER 26 7.806 -4.654 -2.575
170 H ARG 27 H ARG 27 4.149 -5.370 -3.158
171 HA ARG 27 HA ARG 27 4.603 -2.972 -4.383
172 HB2 ARG 27 1HB ARG 27 1.887 -4.262 -4.074
173 HB3 ARG 27 2HB ARG 27 2.371 -3.140 -5.338
174 HG2 ARG 27 1HG ARG 27 3.588 -5.859 -4.906
175 HG3 ARG 27 2HG ARG 27 2.318 -5.493 -6.076
176 HD2 ARG 27 1HD ARG 27 3.807 -3.897 -7.185
177 HD3 ARG 27 2HD ARG 27 5.074 -4.267 -6.015
178 HE ARG 27 HE ARG 27 4.149 -6.606 -7.354
179 HH11 ARG 27 1HH1 ARG 27 6.204 -3.817 -7.696
180 HH12 ARG 27 2HH1 ARG 27 7.260 -4.572 -8.843
181 HH21 ARG 27 1HH2 ARG 27 5.532 -7.612 -8.863
182 HH22 ARG 27 2HH2 ARG 27 6.876 -6.731 -9.507
183 H LEU 28 H LEU 28 2.128 -3.567 -1.886
184 HA LEU 28 HA LEU 28 1.052 -1.062 -1.653
185 HB2 LEU 28 1HB LEU 28 0.129 -2.837 -0.391
186 HB3 LEU 28 2HB LEU 28 1.651 -3.123 0.451
187 HG LEU 28 HG LEU 28 1.337 -0.856 1.526
188 HD11 LEU 28 1HD1 LEU 28 -0.628 -0.525 -0.324
189 HD12 LEU 28 2HD1 LEU 28 -0.479 0.404 1.167
190 HD13 LEU 28 3HD1 LEU 28 -1.558 -0.990 1.101
191 HD21 LEU 28 3HD2 LEU 28 0.586 -3.303 2.330
192 HD22 LEU 28 1HD2 LEU 28 -0.980 -2.492 2.349
193 HD23 LEU 28 2HD2 LEU 28 0.357 -1.850 3.304
194 H ARG 29 H ARG 29 3.907 -2.278 0.096
195 HA ARG 29 HA ARG 29 4.533 -0.040 1.570
196 HB2 ARG 29 1HB ARG 29 6.290 -2.118 0.281
197 HB3 ARG 29 2HB ARG 29 6.959 -0.830 1.274
198 HG2 ARG 29 1HG ARG 29 5.682 -1.585 3.181
199 HG3 ARG 29 2HG ARG 29 4.894 -2.818 2.195
200 HD2 ARG 29 1HD ARG 29 6.542 -4.069 3.175
201 HD3 ARG 29 2HD ARG 29 7.372 -3.547 1.710
202 HE ARG 29 HE ARG 29 7.939 -2.727 4.426
203 HH11 ARG 29 1HH1 ARG 29 8.377 -2.084 1.033
204 HH12 ARG 29 2HH1 ARG 29 9.811 -1.140 1.264
205 HH21 ARG 29 1HH2 ARG 29 9.826 -1.486 4.743
206 HH22 ARG 29 2HH2 ARG 29 10.635 -0.801 3.375
207 H ILE 30 H ILE 30 5.001 -0.611 -1.843
208 HA ILE 30 HA ILE 30 6.791 1.544 -2.317
209 HB ILE 30 HB ILE 30 4.891 0.424 -4.363
210 HG12 ILE 30 1HG1 ILE 30 5.876 -1.498 -3.278
211 HG13 ILE 30 2HG1 ILE 30 6.653 -1.277 -4.841
212 HG21 ILE 30 1HG2 ILE 30 6.718 0.925 -5.906
213 HG22 ILE 30 2HG2 ILE 30 6.212 2.363 -5.022
214 HG23 ILE 30 3HG2 ILE 30 7.692 1.522 -4.562
215 HD11 ILE 30 3HD1 ILE 30 8.126 -1.847 -2.846
216 HD12 ILE 30 1HD1 ILE 30 8.630 -0.506 -3.875
217 HD13 ILE 30 2HD1 ILE 30 7.852 -0.184 -2.325
218 H HIS 31 H HIS 31 3.284 1.224 -2.354
219 HA HIS 31 HA HIS 31 2.790 3.818 -3.438
220 HB2 HIS 31 1HB HIS 31 1.086 2.161 -3.706
221 HB3 HIS 31 2HB HIS 31 1.031 1.848 -1.974
222 HD1 HIS 31 HD1 HIS 31 0.438 4.848 -4.252
223 HD2 HIS 31 HD2 HIS 31 -1.060 3.081 -0.803
224 HE1 HIS 31 HE1 HIS 31 -1.535 6.254 -3.578
225 H GLN 32 H GLN 32 2.545 2.462 -0.154
226 HA GLN 32 HA GLN 32 1.653 4.497 1.335
227 HB2 GLN 32 1HB GLN 32 4.050 2.755 1.913
228 HB3 GLN 32 2HB GLN 32 3.326 3.823 3.108
229 HG2 GLN 32 1HG GLN 32 1.194 2.615 2.854
230 HG3 GLN 32 2HG GLN 32 1.983 1.511 1.728
231 HE21 GLN 32 1HE2 GLN 32 0.881 0.281 3.719
232 HE22 GLN 32 2HE2 GLN 32 2.017 -0.204 4.926
233 H LYS 33 H LYS 33 5.135 4.195 0.605
234 HA LYS 33 HA LYS 33 5.885 6.702 1.559
235 HB2 LYS 33 1HB LYS 33 7.910 6.432 0.186
236 HB3 LYS 33 2HB LYS 33 7.511 4.959 1.062
237 HG2 LYS 33 1HG LYS 33 6.490 4.050 -0.989
238 HG3 LYS 33 2HG LYS 33 6.986 5.507 -1.853
239 HD2 LYS 33 1HD LYS 33 8.720 4.079 -2.355
240 HD3 LYS 33 2HD LYS 33 9.354 4.890 -0.921
241 HE2 LYS 33 1HE LYS 33 7.805 2.333 -0.699
242 HE3 LYS 33 2HE LYS 33 9.528 2.321 -1.073
243 HZ1 LYS 33 3HZ LYS 33 8.175 2.973 1.414
244 HZ2 LYS 33 1HZ LYS 33 9.499 3.951 1.021
245 HZ3 LYS 33 2HZ LYS 33 9.696 2.277 1.157
246 H CYS 34 H CYS 34 4.730 5.724 -1.627
247 HA CYS 34 HA CYS 34 5.264 7.840 -3.216
248 HB2 CYS 34 1HB CYS 34 3.785 5.765 -3.662
249 HB3 CYS 34 2HB CYS 34 2.454 6.775 -3.110
250 HG CYS 34 HG CYS 34 1.992 7.657 -5.469
251 H HIS 35 H HIS 35 2.746 7.728 -0.733
252 HA HIS 35 HA HIS 35 1.469 10.129 -1.218
253 HB2 HIS 35 1HB HIS 35 2.045 8.695 1.372
254 HB3 HIS 35 2HB HIS 35 1.050 10.147 1.296
255 HD1 HIS 35 HD1 HIS 35 -0.942 9.799 -0.728
256 HD2 HIS 35 HD2 HIS 35 0.499 6.494 1.336
257 HE1 HIS 35 HE1 HIS 35 -2.698 8.020 -0.998
258 H THR 36 H THR 36 2.898 11.725 -1.892
259 HA THR 36 HA THR 36 4.492 12.930 0.268
260 HB THR 36 HB THR 36 6.161 13.652 -1.438
261 HG1 THR 36 HG1 THR 36 5.781 13.245 -3.475
262 HG21 THR 36 3HG2 THR 36 5.815 11.075 -0.282
263 HG22 THR 36 1HG2 THR 36 7.317 11.900 -0.694
264 HG23 THR 36 2HG2 THR 36 6.522 10.870 -1.884
265 H GLY 37 H GLY 37 1.887 13.682 -0.292
266 HA2 GLY 37 1HA GLY 37 2.170 16.171 -1.843
267 HA3 GLY 37 2HA GLY 37 0.648 15.367 -1.489
268 H GLU 38 H GLU 38 1.253 18.128 -1.037
269 HA GLU 38 HA GLU 38 1.102 18.212 1.906
270 HB2 GLU 38 1HB GLU 38 3.131 19.296 0.781
271 HB3 GLU 38 2HB GLU 38 2.008 20.507 0.177
272 HG2 GLU 38 1HG GLU 38 2.781 21.520 2.075
273 HG3 GLU 38 2HG GLU 38 1.329 20.726 2.680
274 H ARG 39 H ARG 39 -1.210 17.692 0.694
275 HA ARG 39 HA ARG 39 -2.720 20.142 1.128
276 HB2 ARG 39 1HB ARG 39 -2.146 19.813 -1.381
277 HB3 ARG 39 2HB ARG 39 -3.337 18.520 -1.323
278 HG2 ARG 39 1HG ARG 39 -5.021 20.138 -0.544
279 HG3 ARG 39 2HG ARG 39 -3.820 21.423 -0.688
280 HD2 ARG 39 1HD ARG 39 -5.048 21.542 -2.677
281 HD3 ARG 39 2HD ARG 39 -3.574 20.681 -3.118
282 HE ARG 39 HE ARG 39 -4.819 18.775 -3.487
283 HH11 ARG 39 1HH1 ARG 39 -6.784 21.218 -1.974
284 HH12 ARG 39 2HH1 ARG 39 -8.273 20.375 -2.247
285 HH21 ARG 39 1HH2 ARG 39 -6.772 17.655 -3.852
286 HH22 ARG 39 2HH2 ARG 39 -8.265 18.348 -3.315
287 H HIS 40 H HIS 40 -4.190 19.618 2.594
288 HA HIS 40 HA HIS 40 -5.515 18.307 3.942
289 HB2 HIS 40 1HB HIS 40 -7.020 19.011 2.120
290 HB3 HIS 40 2HB HIS 40 -6.592 17.563 1.213
291 HD2 HIS 40 HD2 HIS 40 -8.673 15.863 1.413
292 HE1 HIS 40 HE1 HIS 40 -9.658 16.573 5.478
293 HE2 HIS 40 HE2 HIS 40 -10.144 15.189 3.430
294 H SER 41 H SER 41 -3.074 17.040 3.523
295 HA SER 41 HA SER 41 -3.563 14.290 2.776
296 HB2 SER 41 1HB SER 41 -1.369 15.656 2.467
297 HB3 SER 41 2HB SER 41 -1.072 15.251 4.157
298 HG SER 41 HG SER 41 -0.305 13.772 2.352
299 H GLY 42 H GLY 42 -5.252 15.034 4.835
300 HA2 GLY 42 1HA GLY 42 -6.047 14.051 6.768
301 HA3 GLY 42 2HA GLY 42 -4.614 13.034 6.789
302 HA PRO 43 HA PRO 43 -3.625 17.222 9.068
303 HB2 PRO 43 1HB PRO 43 -5.813 18.495 10.048
304 HB3 PRO 43 2HB PRO 43 -5.129 18.847 8.456
305 HG2 PRO 43 1HG PRO 43 -7.475 17.131 9.172
306 HG3 PRO 43 2HG PRO 43 -7.306 18.300 7.850
307 HD2 PRO 43 1HD PRO 43 -7.050 15.630 7.476
308 HD3 PRO 43 2HD PRO 43 -6.141 16.820 6.522
309 H SER 44 H SER 44 -3.503 17.605 11.362
310 HA SER 44 HA SER 44 -4.779 15.482 12.960
311 HB2 SER 44 1HB SER 44 -2.172 15.513 12.520
312 HB3 SER 44 2HB SER 44 -2.189 16.712 13.813
313 HG SER 44 HG SER 44 -3.368 15.113 15.061
314 H SER 45 H SER 45 -5.316 15.984 15.138
315 HA SER 45 HA SER 45 -5.963 18.814 15.503
316 HB2 SER 45 1HB SER 45 -7.493 18.001 17.280
317 HB3 SER 45 2HB SER 45 -7.827 17.258 15.716
318 HG SER 45 HG SER 45 -6.820 16.132 18.049
319 H GLY 46 H GLY 46 -3.277 18.196 15.850
320 HA2 GLY 46 1HA GLY 46 -2.571 19.444 18.167
321 HA3 GLY 46 2HA GLY 46 -2.701 17.755 18.635
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -17.450 13.036 -9.510
2 HA2 GLY 1 1HA GLY 1 -18.983 12.898 -7.035
3 HA3 GLY 1 2HA GLY 1 -19.854 12.505 -8.510
4 H SER 2 H SER 2 -16.532 11.758 -7.485
5 HA SER 2 HA SER 2 -17.228 8.903 -7.546
6 HB2 SER 2 1HB SER 2 -14.832 10.189 -8.876
7 HB3 SER 2 2HB SER 2 -15.046 8.450 -8.675
8 HG SER 2 HG SER 2 -17.183 8.956 -9.794
9 H SER 3 H SER 3 -17.090 8.516 -5.398
10 HA SER 3 HA SER 3 -14.474 8.996 -4.137
11 HB2 SER 3 1HB SER 3 -16.167 10.599 -3.273
12 HB3 SER 3 2HB SER 3 -17.154 9.235 -2.748
13 HG SER 3 HG SER 3 -14.944 8.678 -1.671
14 H GLY 4 H GLY 4 -17.541 7.261 -3.546
15 HA2 GLY 4 1HA GLY 4 -16.718 4.684 -3.835
16 HA3 GLY 4 2HA GLY 4 -16.166 5.105 -2.221
17 H SER 5 H SER 5 -18.259 3.207 -3.255
18 HA SER 5 HA SER 5 -20.537 4.268 -1.714
19 HB2 SER 5 1HB SER 5 -21.979 2.786 -3.075
20 HB3 SER 5 2HB SER 5 -21.119 3.962 -4.068
21 HG SER 5 HG SER 5 -20.637 1.197 -3.777
22 H SER 6 H SER 6 -18.909 1.239 -2.642
23 HA SER 6 HA SER 6 -18.882 0.290 0.050
24 HB2 SER 6 1HB SER 6 -20.967 -0.724 -1.849
25 HB3 SER 6 2HB SER 6 -20.256 -1.830 -0.674
26 HG SER 6 HG SER 6 -22.218 -0.207 -0.239
27 H GLY 7 H GLY 7 -16.896 -0.528 0.079
28 HA2 GLY 7 1HA GLY 7 -16.215 -2.663 -1.773
29 HA3 GLY 7 2HA GLY 7 -15.208 -1.226 -1.875
30 H THR 8 H THR 8 -15.820 -4.137 -0.211
31 HA THR 8 HA THR 8 -14.513 -3.557 2.238
32 HB THR 8 HB THR 8 -14.332 -6.040 2.475
33 HG1 THR 8 HG1 THR 8 -15.655 -6.055 -0.053
34 HG21 THR 8 3HG2 THR 8 -17.102 -5.860 1.645
35 HG22 THR 8 1HG2 THR 8 -16.596 -4.423 2.531
36 HG23 THR 8 2HG2 THR 8 -16.422 -6.018 3.264
37 H GLY 9 H GLY 9 -13.405 -5.382 -0.628
38 HA2 GLY 9 1HA GLY 9 -11.198 -4.857 -1.541
39 HA3 GLY 9 2HA GLY 9 -10.647 -4.625 0.111
40 H GLU 10 H GLU 10 -11.237 -6.890 -2.415
41 HA GLU 10 HA GLU 10 -11.144 -9.290 -0.955
42 HB2 GLU 10 1HB GLU 10 -10.343 -8.666 -3.799
43 HB3 GLU 10 2HB GLU 10 -10.391 -10.295 -3.139
44 HG2 GLU 10 1HG GLU 10 -12.684 -8.404 -3.560
45 HG3 GLU 10 2HG GLU 10 -12.408 -9.971 -4.320
46 H LYS 11 H LYS 11 -8.528 -7.924 -2.960
47 HA LYS 11 HA LYS 11 -6.431 -9.451 -2.331
48 HB2 LYS 11 1HB LYS 11 -4.965 -7.525 -2.584
49 HB3 LYS 11 2HB LYS 11 -6.286 -7.435 -3.741
50 HG2 LYS 11 1HG LYS 11 -6.490 -6.019 -1.118
51 HG3 LYS 11 2HG LYS 11 -5.569 -5.313 -2.448
52 HD2 LYS 11 1HD LYS 11 -8.484 -6.089 -2.472
53 HD3 LYS 11 2HD LYS 11 -7.822 -4.453 -2.496
54 HE2 LYS 11 1HE LYS 11 -6.596 -5.331 -4.647
55 HE3 LYS 11 2HE LYS 11 -7.911 -6.506 -4.657
56 HZ1 LYS 11 3HZ LYS 11 -9.436 -4.931 -5.154
57 HZ2 LYS 11 1HZ LYS 11 -8.095 -4.158 -5.835
58 HZ3 LYS 11 2HZ LYS 11 -8.642 -3.706 -4.300
59 HA PRO 12 HA PRO 12 -5.808 -9.459 2.027
60 HB2 PRO 12 1HB PRO 12 -3.194 -10.190 2.085
61 HB3 PRO 12 2HB PRO 12 -4.497 -11.315 1.684
62 HG2 PRO 12 1HG PRO 12 -2.646 -9.832 -0.143
63 HG3 PRO 12 2HG PRO 12 -3.184 -11.520 -0.224
64 HD2 PRO 12 1HD PRO 12 -4.260 -9.573 -1.766
65 HD3 PRO 12 2HD PRO 12 -5.201 -10.963 -1.189
66 H TYR 13 H TYR 13 -4.636 -7.138 0.001
67 HA TYR 13 HA TYR 13 -3.464 -5.641 2.244
68 HB2 TYR 13 1HB TYR 13 -2.431 -5.466 -0.588
69 HB3 TYR 13 2HB TYR 13 -1.731 -4.745 0.857
70 HD1 TYR 13 HD1 TYR 13 -0.756 -6.281 2.619
71 HD2 TYR 13 HD2 TYR 13 -1.832 -7.638 -1.267
72 HE1 TYR 13 HE1 TYR 13 0.666 -8.265 2.924
73 HE2 TYR 13 HE2 TYR 13 -0.415 -9.626 -0.972
74 HH TYR 13 HH TYR 13 1.871 -10.011 0.780
75 H LYS 14 H LYS 14 -4.267 -3.653 2.516
76 HA LYS 14 HA LYS 14 -5.419 -2.174 0.312
77 HB2 LYS 14 1HB LYS 14 -7.332 -3.506 0.925
78 HB3 LYS 14 2HB LYS 14 -7.104 -3.134 2.629
79 HG2 LYS 14 1HG LYS 14 -7.817 -0.914 2.351
80 HG3 LYS 14 2HG LYS 14 -7.665 -1.000 0.595
81 HD2 LYS 14 1HD LYS 14 -9.470 -2.782 0.669
82 HD3 LYS 14 2HD LYS 14 -9.725 -2.316 2.353
83 HE2 LYS 14 1HE LYS 14 -10.136 0.006 1.599
84 HE3 LYS 14 2HE LYS 14 -9.982 -0.537 -0.071
85 HZ1 LYS 14 3HZ LYS 14 -12.176 -0.843 0.060
86 HZ2 LYS 14 1HZ LYS 14 -12.195 -0.810 1.752
87 HZ3 LYS 14 2HZ LYS 14 -11.812 -2.242 0.938
88 H CYS 15 H CYS 15 -4.459 -0.271 0.565
89 HA CYS 15 HA CYS 15 -3.339 0.711 2.921
90 HB2 CYS 15 1HB CYS 15 -2.634 1.585 0.793
91 HB3 CYS 15 2HB CYS 15 -4.259 2.161 0.434
92 H SER 16 H SER 16 -4.166 1.635 4.675
93 HA SER 16 HA SER 16 -7.016 2.191 4.768
94 HB2 SER 16 1HB SER 16 -6.098 0.930 6.617
95 HB3 SER 16 2HB SER 16 -4.888 2.177 6.921
96 HG SER 16 HG SER 16 -7.685 2.308 7.316
97 H ASP 17 H ASP 17 -4.059 3.895 4.456
98 HA ASP 17 HA ASP 17 -4.725 6.366 5.601
99 HB2 ASP 17 1HB ASP 17 -3.001 5.998 3.150
100 HB3 ASP 17 2HB ASP 17 -2.905 7.282 4.352
101 H CYS 18 H CYS 18 -5.065 5.238 2.242
102 HA CYS 18 HA CYS 18 -6.996 7.422 1.805
103 HB2 CYS 18 1HB CYS 18 -6.379 7.302 -0.593
104 HB3 CYS 18 2HB CYS 18 -5.020 7.748 0.433
105 H GLY 19 H GLY 19 -6.164 4.086 0.898
106 HA2 GLY 19 1HA GLY 19 -8.130 2.532 1.270
107 HA3 GLY 19 2HA GLY 19 -9.011 3.654 0.243
108 H LYS 20 H LYS 20 -5.695 3.030 -0.484
109 HA LYS 20 HA LYS 20 -6.332 2.060 -3.080
110 HB2 LYS 20 1HB LYS 20 -3.777 2.359 -1.526
111 HB3 LYS 20 2HB LYS 20 -3.791 1.559 -3.092
112 HG2 LYS 20 1HG LYS 20 -5.036 4.251 -2.840
113 HG3 LYS 20 2HG LYS 20 -3.277 4.115 -2.890
114 HD2 LYS 20 1HD LYS 20 -3.279 3.242 -5.041
115 HD3 LYS 20 2HD LYS 20 -4.957 2.707 -4.928
116 HE2 LYS 20 1HE LYS 20 -5.193 4.544 -6.279
117 HE3 LYS 20 2HE LYS 20 -5.426 5.279 -4.694
118 HZ1 LYS 20 3HZ LYS 20 -2.674 5.216 -5.433
119 HZ2 LYS 20 1HZ LYS 20 -3.632 6.532 -4.970
120 HZ3 LYS 20 2HZ LYS 20 -3.600 6.037 -6.587
121 H SER 21 H SER 21 -4.975 0.015 -3.832
122 HA SER 21 HA SER 21 -5.224 -2.166 -1.905
123 HB2 SER 21 1HB SER 21 -6.437 -3.550 -3.621
124 HB3 SER 21 2HB SER 21 -7.383 -2.216 -2.963
125 HG SER 21 HG SER 21 -6.307 -1.118 -4.967
126 H PHE 22 H PHE 22 -3.999 -4.016 -2.423
127 HA PHE 22 HA PHE 22 -2.364 -3.990 -4.820
128 HB2 PHE 22 1HB PHE 22 -0.954 -4.154 -2.165
129 HB3 PHE 22 2HB PHE 22 -0.259 -3.893 -3.762
130 HD1 PHE 22 HD1 PHE 22 -2.428 -2.315 -1.199
131 HD2 PHE 22 HD2 PHE 22 0.151 -1.738 -4.534
132 HE1 PHE 22 HE1 PHE 22 -2.487 0.116 -0.820
133 HE2 PHE 22 HE2 PHE 22 0.098 0.693 -4.161
134 HZ PHE 22 HZ PHE 22 -1.222 1.623 -2.301
135 H THR 23 H THR 23 -1.541 -5.999 -5.364
136 HA THR 23 HA THR 23 -2.767 -8.237 -3.963
137 HB THR 23 HB THR 23 -1.193 -8.220 -6.546
138 HG1 THR 23 HG1 THR 23 -2.998 -7.379 -7.269
139 HG21 THR 23 3HG2 THR 23 -3.056 -10.377 -6.279
140 HG22 THR 23 1HG2 THR 23 -1.982 -10.359 -4.881
141 HG23 THR 23 2HG2 THR 23 -1.309 -10.444 -6.509
142 H TRP 24 H TRP 24 0.441 -7.037 -4.823
143 HA TRP 24 HA TRP 24 1.657 -9.210 -3.268
144 HB2 TRP 24 1HB TRP 24 2.689 -7.365 -5.400
145 HB3 TRP 24 2HB TRP 24 3.810 -8.164 -4.300
146 HD1 TRP 24 HD1 TRP 24 1.606 -8.811 -7.307
147 HE1 TRP 24 HE1 TRP 24 1.996 -11.214 -8.143
148 HE3 TRP 24 HE3 TRP 24 4.427 -10.574 -3.424
149 HZ2 TRP 24 HZ2 TRP 24 3.322 -13.548 -7.272
150 HZ3 TRP 24 HZ3 TRP 24 5.216 -12.904 -3.503
151 HH2 TRP 24 HH2 TRP 24 4.674 -14.358 -5.387
152 H LYS 25 H LYS 25 2.985 -8.817 -1.526
153 HA LYS 25 HA LYS 25 2.418 -6.671 0.136
154 HB2 LYS 25 1HB LYS 25 3.535 -8.909 0.701
155 HB3 LYS 25 2HB LYS 25 5.043 -8.148 0.210
156 HG2 LYS 25 1HG LYS 25 5.093 -6.752 2.019
157 HG3 LYS 25 2HG LYS 25 3.338 -6.760 2.212
158 HD2 LYS 25 1HD LYS 25 3.389 -8.973 3.137
159 HD3 LYS 25 2HD LYS 25 5.108 -9.137 2.771
160 HE2 LYS 25 1HE LYS 25 5.730 -7.646 4.449
161 HE3 LYS 25 2HE LYS 25 4.121 -6.932 4.543
162 HZ1 LYS 25 3HZ LYS 25 3.448 -9.292 5.311
163 HZ2 LYS 25 1HZ LYS 25 4.192 -8.245 6.413
164 HZ3 LYS 25 2HZ LYS 25 5.091 -9.471 5.671
165 H SER 26 H SER 26 5.557 -7.193 -1.482
166 HA SER 26 HA SER 26 6.836 -4.888 -1.005
167 HB2 SER 26 1HB SER 26 7.656 -6.740 -2.485
168 HB3 SER 26 2HB SER 26 6.676 -6.066 -3.788
169 HG SER 26 HG SER 26 8.419 -4.344 -2.456
170 H ARG 27 H ARG 27 4.557 -5.264 -3.723
171 HA ARG 27 HA ARG 27 4.557 -2.778 -4.796
172 HB2 ARG 27 1HB ARG 27 2.060 -4.376 -4.202
173 HB3 ARG 27 2HB ARG 27 2.222 -3.122 -5.424
174 HG2 ARG 27 1HG ARG 27 3.787 -5.693 -5.408
175 HG3 ARG 27 2HG ARG 27 2.306 -5.423 -6.329
176 HD2 ARG 27 1HD ARG 27 3.407 -3.558 -7.502
177 HD3 ARG 27 2HD ARG 27 4.890 -3.894 -6.611
178 HE ARG 27 HE ARG 27 4.176 -6.255 -7.857
179 HH11 ARG 27 1HH1 ARG 27 5.033 -3.017 -8.806
180 HH12 ARG 27 2HH1 ARG 27 5.724 -3.503 -10.319
181 HH21 ARG 27 1HH2 ARG 27 5.083 -6.908 -9.846
182 HH22 ARG 27 2HH2 ARG 27 5.751 -5.717 -10.909
183 H LEU 28 H LEU 28 2.390 -3.729 -2.123
184 HA LEU 28 HA LEU 28 1.223 -1.321 -1.576
185 HB2 LEU 28 1HB LEU 28 0.542 -3.282 -0.408
186 HB3 LEU 28 2HB LEU 28 2.137 -3.473 0.318
187 HG LEU 28 HG LEU 28 1.753 -1.456 1.665
188 HD11 LEU 28 1HD1 LEU 28 -0.582 -0.564 1.765
189 HD12 LEU 28 2HD1 LEU 28 -0.927 -1.472 0.293
190 HD13 LEU 28 3HD1 LEU 28 0.288 -0.194 0.276
191 HD21 LEU 28 3HD2 LEU 28 0.114 -2.411 3.179
192 HD22 LEU 28 1HD2 LEU 28 1.169 -3.673 2.543
193 HD23 LEU 28 2HD2 LEU 28 -0.465 -3.487 1.906
194 H ARG 29 H ARG 29 4.278 -2.506 -0.176
195 HA ARG 29 HA ARG 29 4.917 -0.346 1.409
196 HB2 ARG 29 1HB ARG 29 6.638 -2.258 -0.149
197 HB3 ARG 29 2HB ARG 29 7.349 -0.990 0.840
198 HG2 ARG 29 1HG ARG 29 6.446 -1.900 2.825
199 HG3 ARG 29 2HG ARG 29 5.396 -2.997 1.925
200 HD2 ARG 29 1HD ARG 29 7.229 -4.318 1.219
201 HD3 ARG 29 2HD ARG 29 8.396 -3.107 1.748
202 HE ARG 29 HE ARG 29 7.097 -3.792 4.032
203 HH11 ARG 29 1HH1 ARG 29 8.756 -5.590 1.554
204 HH12 ARG 29 2HH1 ARG 29 9.262 -6.853 2.627
205 HH21 ARG 29 1HH2 ARG 29 7.758 -5.448 5.454
206 HH22 ARG 29 2HH2 ARG 29 8.693 -6.772 4.845
207 H ILE 30 H ILE 30 5.143 -0.661 -2.063
208 HA ILE 30 HA ILE 30 6.806 1.571 -2.554
209 HB ILE 30 HB ILE 30 4.680 0.548 -4.428
210 HG12 ILE 30 1HG1 ILE 30 5.938 -1.375 -3.634
211 HG13 ILE 30 2HG1 ILE 30 6.410 -1.007 -5.289
212 HG21 ILE 30 1HG2 ILE 30 5.641 2.513 -5.283
213 HG22 ILE 30 2HG2 ILE 30 7.260 2.044 -4.769
214 HG23 ILE 30 3HG2 ILE 30 6.481 1.199 -6.106
215 HD11 ILE 30 3HD1 ILE 30 8.252 -1.601 -3.652
216 HD12 ILE 30 1HD1 ILE 30 8.479 -0.146 -4.621
217 HD13 ILE 30 2HD1 ILE 30 7.975 -0.014 -2.935
218 H HIS 31 H HIS 31 3.305 1.204 -2.280
219 HA HIS 31 HA HIS 31 2.564 3.770 -3.129
220 HB2 HIS 31 1HB HIS 31 0.943 1.958 -2.862
221 HB3 HIS 31 2HB HIS 31 1.206 1.960 -1.120
222 HD1 HIS 31 HD1 HIS 31 0.109 4.491 -3.751
223 HD2 HIS 31 HD2 HIS 31 -0.672 3.393 0.179
224 HE1 HIS 31 HE1 HIS 31 -1.756 5.997 -2.990
225 H GLN 32 H GLN 32 3.014 2.550 0.192
226 HA GLN 32 HA GLN 32 2.515 4.706 1.711
227 HB2 GLN 32 1HB GLN 32 5.003 3.015 2.006
228 HB3 GLN 32 2HB GLN 32 4.236 3.964 3.272
229 HG2 GLN 32 1HG GLN 32 2.172 2.525 2.860
230 HG3 GLN 32 2HG GLN 32 3.247 1.463 1.953
231 HE21 GLN 32 1HE2 GLN 32 2.282 0.092 3.791
232 HE22 GLN 32 2HE2 GLN 32 3.252 -0.027 5.215
233 H LYS 33 H LYS 33 5.656 4.162 0.116
234 HA LYS 33 HA LYS 33 7.010 6.409 0.856
235 HB2 LYS 33 1HB LYS 33 6.960 5.056 -1.844
236 HB3 LYS 33 2HB LYS 33 8.130 6.291 -1.398
237 HG2 LYS 33 1HG LYS 33 8.555 4.678 0.638
238 HG3 LYS 33 2HG LYS 33 7.892 3.478 -0.474
239 HD2 LYS 33 1HD LYS 33 10.145 5.344 -1.195
240 HD3 LYS 33 2HD LYS 33 10.396 3.730 -0.525
241 HE2 LYS 33 1HE LYS 33 8.755 4.223 -2.996
242 HE3 LYS 33 2HE LYS 33 10.496 3.952 -3.055
243 HZ1 LYS 33 3HZ LYS 33 10.220 1.779 -2.757
244 HZ2 LYS 33 1HZ LYS 33 8.578 2.023 -3.083
245 HZ3 LYS 33 2HZ LYS 33 9.126 1.989 -1.484
246 H CYS 34 H CYS 34 4.615 6.148 -1.742
247 HA CYS 34 HA CYS 34 4.847 8.709 -2.800
248 HB2 CYS 34 1HB CYS 34 3.492 6.818 -3.750
249 HB3 CYS 34 2HB CYS 34 2.273 7.148 -2.525
250 HG CYS 34 HG CYS 34 2.821 9.991 -3.939
251 H HIS 35 H HIS 35 2.585 7.569 -0.292
252 HA HIS 35 HA HIS 35 1.242 9.865 0.288
253 HB2 HIS 35 1HB HIS 35 2.126 7.550 1.938
254 HB3 HIS 35 2HB HIS 35 1.491 8.957 2.786
255 HD1 HIS 35 HD1 HIS 35 -0.985 9.734 1.885
256 HD2 HIS 35 HD2 HIS 35 0.211 5.837 1.079
257 HE1 HIS 35 HE1 HIS 35 -3.097 8.480 1.345
258 H THR 36 H THR 36 4.321 8.891 1.800
259 HA THR 36 HA THR 36 4.647 11.435 3.089
260 HB THR 36 HB THR 36 6.895 10.577 3.718
261 HG1 THR 36 HG1 THR 36 6.109 8.163 2.437
262 HG21 THR 36 3HG2 THR 36 5.229 8.255 4.363
263 HG22 THR 36 1HG2 THR 36 4.448 9.806 4.671
264 HG23 THR 36 2HG2 THR 36 5.996 9.431 5.430
265 H GLY 37 H GLY 37 4.843 13.106 1.670
266 HA2 GLY 37 1HA GLY 37 7.117 14.026 0.659
267 HA3 GLY 37 2HA GLY 37 6.673 12.873 -0.590
268 H GLU 38 H GLU 38 4.725 13.223 -1.786
269 HA GLU 38 HA GLU 38 4.104 16.068 -2.028
270 HB2 GLU 38 1HB GLU 38 4.791 14.592 -4.005
271 HB3 GLU 38 2HB GLU 38 3.190 13.877 -3.882
272 HG2 GLU 38 1HG GLU 38 2.126 15.886 -4.452
273 HG3 GLU 38 2HG GLU 38 3.585 16.835 -4.169
274 H ARG 39 H ARG 39 3.012 14.952 0.226
275 HA ARG 39 HA ARG 39 0.590 13.751 0.236
276 HB2 ARG 39 1HB ARG 39 1.420 16.161 1.861
277 HB3 ARG 39 2HB ARG 39 0.010 15.170 2.212
278 HG2 ARG 39 1HG ARG 39 1.511 13.215 2.474
279 HG3 ARG 39 2HG ARG 39 2.889 14.296 2.259
280 HD2 ARG 39 1HD ARG 39 2.769 14.302 4.534
281 HD3 ARG 39 2HD ARG 39 1.669 15.636 4.188
282 HE ARG 39 HE ARG 39 0.429 13.030 4.388
283 HH11 ARG 39 1HH1 ARG 39 1.345 15.957 6.035
284 HH12 ARG 39 2HH1 ARG 39 0.194 15.753 7.313
285 HH21 ARG 39 1HH2 ARG 39 -1.091 12.749 6.066
286 HH22 ARG 39 2HH2 ARG 39 -1.191 13.927 7.330
287 H HIS 40 H HIS 40 -0.930 14.063 -1.283
288 HA HIS 40 HA HIS 40 -1.703 16.788 -2.011
289 HB2 HIS 40 1HB HIS 40 -1.995 14.106 -3.266
290 HB3 HIS 40 2HB HIS 40 -3.246 15.298 -3.608
291 HD2 HIS 40 HD2 HIS 40 0.385 16.625 -3.327
292 HE1 HIS 40 HE1 HIS 40 -0.672 16.536 -7.435
293 HE2 HIS 40 HE2 HIS 40 1.075 17.209 -5.751
294 H SER 41 H SER 41 -3.254 13.745 -0.996
295 HA SER 41 HA SER 41 -5.845 14.629 -0.705
296 HB2 SER 41 1HB SER 41 -4.856 12.264 -0.364
297 HB3 SER 41 2HB SER 41 -4.610 12.762 1.309
298 HG SER 41 HG SER 41 -7.123 13.177 0.157
299 H GLY 42 H GLY 42 -6.961 14.746 1.568
300 HA2 GLY 42 1HA GLY 42 -5.768 17.055 2.891
301 HA3 GLY 42 2HA GLY 42 -7.410 16.465 3.103
302 HA PRO 43 HA PRO 43 -5.095 15.346 6.923
303 HB2 PRO 43 1HB PRO 43 -7.157 15.911 8.597
304 HB3 PRO 43 2HB PRO 43 -6.014 17.136 8.033
305 HG2 PRO 43 1HG PRO 43 -8.766 16.510 7.035
306 HG3 PRO 43 2HG PRO 43 -8.013 18.089 7.324
307 HD2 PRO 43 1HD PRO 43 -8.219 17.004 4.851
308 HD3 PRO 43 2HD PRO 43 -6.863 18.047 5.326
309 H SER 44 H SER 44 -7.540 14.070 5.111
310 HA SER 44 HA SER 44 -8.804 12.254 6.841
311 HB2 SER 44 1HB SER 44 -8.263 12.089 3.869
312 HB3 SER 44 2HB SER 44 -9.303 10.966 4.745
313 HG SER 44 HG SER 44 -10.565 12.599 3.872
314 H SER 45 H SER 45 -7.689 10.920 8.119
315 HA SER 45 HA SER 45 -5.811 9.061 6.856
316 HB2 SER 45 1HB SER 45 -5.230 10.592 9.403
317 HB3 SER 45 2HB SER 45 -4.231 9.298 8.741
318 HG SER 45 HG SER 45 -4.609 11.914 7.821
319 H GLY 46 H GLY 46 -5.542 7.068 7.984
320 HA2 GLY 46 1HA GLY 46 -7.920 6.347 9.508
321 HA3 GLY 46 2HA GLY 46 -6.739 5.236 8.830
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -18.993 -0.964 9.488
2 HA2 GLY 1 1HA GLY 1 -20.527 0.834 9.019
3 HA3 GLY 1 2HA GLY 1 -19.397 0.772 7.675
4 H SER 2 H SER 2 -20.417 1.047 5.815
5 HA SER 2 HA SER 2 -23.199 0.244 5.540
6 HB2 SER 2 1HB SER 2 -22.990 1.391 3.298
7 HB3 SER 2 2HB SER 2 -22.691 2.428 4.693
8 HG SER 2 HG SER 2 -20.946 2.866 3.565
9 H SER 3 H SER 3 -23.090 -1.998 5.448
10 HA SER 3 HA SER 3 -21.336 -3.503 3.879
11 HB2 SER 3 1HB SER 3 -22.855 -5.354 4.211
12 HB3 SER 3 2HB SER 3 -22.805 -4.404 5.696
13 HG SER 3 HG SER 3 -24.849 -4.603 3.775
14 H GLY 4 H GLY 4 -21.064 -3.288 1.755
15 HA2 GLY 4 1HA GLY 4 -22.558 -4.110 -0.258
16 HA3 GLY 4 2HA GLY 4 -23.338 -2.568 0.065
17 H SER 5 H SER 5 -19.904 -3.486 0.108
18 HA SER 5 HA SER 5 -19.447 -1.485 -2.008
19 HB2 SER 5 1HB SER 5 -17.657 -2.104 0.355
20 HB3 SER 5 2HB SER 5 -17.285 -0.966 -0.940
21 HG SER 5 HG SER 5 -19.209 0.181 -0.296
22 H SER 6 H SER 6 -18.244 -4.444 -0.475
23 HA SER 6 HA SER 6 -16.148 -5.221 -1.923
24 HB2 SER 6 1HB SER 6 -17.192 -6.690 -0.278
25 HB3 SER 6 2HB SER 6 -18.561 -6.961 -1.356
26 HG SER 6 HG SER 6 -16.652 -7.638 -2.843
27 H GLY 7 H GLY 7 -15.715 -4.916 -4.008
28 HA2 GLY 7 1HA GLY 7 -17.275 -6.237 -6.021
29 HA3 GLY 7 2HA GLY 7 -17.446 -4.489 -6.087
30 H THR 8 H THR 8 -14.826 -3.769 -5.355
31 HA THR 8 HA THR 8 -13.498 -4.226 -7.880
32 HB THR 8 HB THR 8 -13.506 -1.980 -6.857
33 HG1 THR 8 HG1 THR 8 -11.240 -1.625 -7.168
34 HG21 THR 8 3HG2 THR 8 -12.752 -1.515 -4.782
35 HG22 THR 8 1HG2 THR 8 -11.411 -2.654 -4.903
36 HG23 THR 8 2HG2 THR 8 -13.026 -3.234 -4.498
37 H GLY 9 H GLY 9 -13.718 -6.586 -6.370
38 HA2 GLY 9 1HA GLY 9 -12.386 -8.407 -5.906
39 HA3 GLY 9 2HA GLY 9 -10.998 -7.445 -6.389
40 H GLU 10 H GLU 10 -11.391 -9.312 -4.118
41 HA GLU 10 HA GLU 10 -10.995 -7.455 -1.872
42 HB2 GLU 10 1HB GLU 10 -11.956 -10.290 -2.037
43 HB3 GLU 10 2HB GLU 10 -11.244 -9.692 -0.545
44 HG2 GLU 10 1HG GLU 10 -12.953 -8.168 -0.187
45 HG3 GLU 10 2HG GLU 10 -13.465 -8.197 -1.873
46 H LYS 11 H LYS 11 -8.819 -6.995 -2.475
47 HA LYS 11 HA LYS 11 -6.857 -9.049 -2.718
48 HB2 LYS 11 1HB LYS 11 -6.459 -6.114 -2.110
49 HB3 LYS 11 2HB LYS 11 -5.232 -7.233 -2.690
50 HG2 LYS 11 1HG LYS 11 -7.720 -6.718 -4.273
51 HG3 LYS 11 2HG LYS 11 -6.330 -5.633 -4.367
52 HD2 LYS 11 1HD LYS 11 -4.928 -7.353 -5.195
53 HD3 LYS 11 2HD LYS 11 -6.108 -8.604 -4.797
54 HE2 LYS 11 1HE LYS 11 -7.582 -7.866 -6.518
55 HE3 LYS 11 2HE LYS 11 -6.625 -6.411 -6.796
56 HZ1 LYS 11 3HZ LYS 11 -5.065 -8.780 -7.091
57 HZ2 LYS 11 1HZ LYS 11 -5.295 -7.503 -8.177
58 HZ3 LYS 11 2HZ LYS 11 -6.396 -8.785 -8.135
59 HA PRO 12 HA PRO 12 -5.968 -9.906 1.501
60 HB2 PRO 12 1HB PRO 12 -3.360 -10.630 1.296
61 HB3 PRO 12 2HB PRO 12 -4.688 -11.652 0.733
62 HG2 PRO 12 1HG PRO 12 -2.906 -9.828 -0.834
63 HG3 PRO 12 2HG PRO 12 -3.459 -11.465 -1.232
64 HD2 PRO 12 1HD PRO 12 -4.585 -9.246 -2.300
65 HD3 PRO 12 2HD PRO 12 -5.512 -10.726 -1.976
66 H TYR 13 H TYR 13 -4.866 -7.221 -0.062
67 HA TYR 13 HA TYR 13 -3.700 -6.157 2.407
68 HB2 TYR 13 1HB TYR 13 -2.484 -5.737 -0.331
69 HB3 TYR 13 2HB TYR 13 -1.904 -5.049 1.181
70 HD1 TYR 13 HD1 TYR 13 -0.785 -6.466 2.843
71 HD2 TYR 13 HD2 TYR 13 -2.031 -8.030 -0.912
72 HE1 TYR 13 HE1 TYR 13 0.654 -8.430 3.191
73 HE2 TYR 13 HE2 TYR 13 -0.597 -9.999 -0.575
74 HH TYR 13 HH TYR 13 0.374 -11.199 1.715
75 H LYS 14 H LYS 14 -3.908 -3.899 2.664
76 HA LYS 14 HA LYS 14 -5.387 -2.400 0.662
77 HB2 LYS 14 1HB LYS 14 -7.091 -3.576 2.090
78 HB3 LYS 14 2HB LYS 14 -6.475 -2.673 3.467
79 HG2 LYS 14 1HG LYS 14 -7.179 -0.605 2.531
80 HG3 LYS 14 2HG LYS 14 -7.558 -1.367 0.985
81 HD2 LYS 14 1HD LYS 14 -9.390 -2.565 1.946
82 HD3 LYS 14 2HD LYS 14 -8.931 -2.067 3.576
83 HE2 LYS 14 1HE LYS 14 -9.623 -0.055 1.460
84 HE3 LYS 14 2HE LYS 14 -10.874 -0.837 2.426
85 HZ1 LYS 14 3HZ LYS 14 -9.065 -0.016 4.275
86 HZ2 LYS 14 1HZ LYS 14 -10.501 0.787 3.881
87 HZ3 LYS 14 2HZ LYS 14 -9.046 1.250 3.153
88 H CYS 15 H CYS 15 -4.561 -0.424 0.539
89 HA CYS 15 HA CYS 15 -2.550 0.497 2.283
90 HB2 CYS 15 1HB CYS 15 -2.745 1.193 -0.083
91 HB3 CYS 15 2HB CYS 15 -4.206 2.091 0.315
92 H SER 16 H SER 16 -2.782 1.229 4.279
93 HA SER 16 HA SER 16 -5.354 2.207 5.201
94 HB2 SER 16 1HB SER 16 -4.003 0.645 6.587
95 HB3 SER 16 2HB SER 16 -2.762 1.889 6.734
96 HG SER 16 HG SER 16 -3.942 2.894 8.162
97 H ASP 17 H ASP 17 -4.235 3.882 3.291
98 HA ASP 17 HA ASP 17 -3.711 6.281 4.907
99 HB2 ASP 17 1HB ASP 17 -1.573 5.651 3.977
100 HB3 ASP 17 2HB ASP 17 -2.277 5.466 2.373
101 H CYS 18 H CYS 18 -4.475 5.189 1.598
102 HA CYS 18 HA CYS 18 -6.287 7.493 1.344
103 HB2 CYS 18 1HB CYS 18 -6.108 7.143 -1.095
104 HB3 CYS 18 2HB CYS 18 -4.539 7.438 -0.353
105 H GLY 19 H GLY 19 -6.023 4.008 0.746
106 HA2 GLY 19 1HA GLY 19 -7.992 2.693 1.488
107 HA3 GLY 19 2HA GLY 19 -8.977 3.905 0.681
108 H LYS 20 H LYS 20 -6.094 2.030 -0.259
109 HA LYS 20 HA LYS 20 -7.565 1.196 -2.674
110 HB2 LYS 20 1HB LYS 20 -4.727 2.045 -2.263
111 HB3 LYS 20 2HB LYS 20 -5.091 0.880 -3.529
112 HG2 LYS 20 1HG LYS 20 -6.831 2.567 -4.335
113 HG3 LYS 20 2HG LYS 20 -6.014 3.720 -3.277
114 HD2 LYS 20 1HD LYS 20 -4.938 4.066 -5.295
115 HD3 LYS 20 2HD LYS 20 -3.864 2.913 -4.500
116 HE2 LYS 20 1HE LYS 20 -4.134 2.144 -6.719
117 HE3 LYS 20 2HE LYS 20 -5.127 1.093 -5.711
118 HZ1 LYS 20 3HZ LYS 20 -5.976 2.357 -7.936
119 HZ2 LYS 20 1HZ LYS 20 -6.520 3.402 -6.721
120 HZ3 LYS 20 2HZ LYS 20 -6.987 1.777 -6.710
121 H SER 21 H SER 21 -6.611 -0.863 -3.649
122 HA SER 21 HA SER 21 -5.910 -2.755 -1.501
123 HB2 SER 21 1HB SER 21 -7.995 -2.966 -3.646
124 HB3 SER 21 2HB SER 21 -7.222 -4.429 -3.036
125 HG SER 21 HG SER 21 -8.646 -4.281 -1.501
126 H PHE 22 H PHE 22 -4.126 -3.900 -1.849
127 HA PHE 22 HA PHE 22 -3.128 -4.131 -4.612
128 HB2 PHE 22 1HB PHE 22 -1.472 -3.794 -2.102
129 HB3 PHE 22 2HB PHE 22 -0.842 -3.979 -3.735
130 HD1 PHE 22 HD1 PHE 22 -3.218 -1.806 -1.849
131 HD2 PHE 22 HD2 PHE 22 -0.220 -2.081 -4.858
132 HE1 PHE 22 HE1 PHE 22 -3.305 0.634 -2.153
133 HE2 PHE 22 HE2 PHE 22 -0.301 0.359 -5.166
134 HZ PHE 22 HZ PHE 22 -1.844 1.720 -3.812
135 H THR 23 H THR 23 -1.860 -6.016 -5.081
136 HA THR 23 HA THR 23 -2.817 -8.348 -3.633
137 HB THR 23 HB THR 23 -1.146 -8.210 -6.151
138 HG1 THR 23 HG1 THR 23 -2.987 -7.757 -7.074
139 HG21 THR 23 3HG2 THR 23 -0.823 -10.384 -5.657
140 HG22 THR 23 1HG2 THR 23 -2.486 -10.580 -6.208
141 HG23 THR 23 2HG2 THR 23 -2.141 -10.417 -4.486
142 H TRP 24 H TRP 24 0.299 -6.951 -4.624
143 HA TRP 24 HA TRP 24 1.675 -8.790 -2.804
144 HB2 TRP 24 1HB TRP 24 2.659 -6.997 -5.023
145 HB3 TRP 24 2HB TRP 24 3.751 -7.817 -3.910
146 HD1 TRP 24 HD1 TRP 24 1.250 -8.559 -6.731
147 HE1 TRP 24 HE1 TRP 24 1.739 -10.912 -7.653
148 HE3 TRP 24 HE3 TRP 24 4.771 -10.046 -3.335
149 HZ2 TRP 24 HZ2 TRP 24 3.398 -13.108 -7.024
150 HZ3 TRP 24 HZ3 TRP 24 5.759 -12.287 -3.566
151 HH2 TRP 24 HH2 TRP 24 5.085 -13.785 -5.372
152 H LYS 25 H LYS 25 2.437 -8.144 -0.898
153 HA LYS 25 HA LYS 25 1.862 -5.620 0.179
154 HB2 LYS 25 1HB LYS 25 3.381 -6.315 2.038
155 HB3 LYS 25 2HB LYS 25 2.146 -7.502 1.640
156 HG2 LYS 25 1HG LYS 25 4.091 -8.437 0.094
157 HG3 LYS 25 2HG LYS 25 5.085 -7.633 1.311
158 HD2 LYS 25 1HD LYS 25 2.851 -9.379 2.223
159 HD3 LYS 25 2HD LYS 25 4.318 -10.140 1.603
160 HE2 LYS 25 1HE LYS 25 4.533 -7.965 3.636
161 HE3 LYS 25 2HE LYS 25 4.081 -9.589 4.150
162 HZ1 LYS 25 3HZ LYS 25 6.105 -10.457 3.428
163 HZ2 LYS 25 1HZ LYS 25 6.536 -8.996 4.163
164 HZ3 LYS 25 2HZ LYS 25 6.469 -9.106 2.477
165 H SER 26 H SER 26 4.808 -6.923 -1.266
166 HA SER 26 HA SER 26 6.618 -4.943 -0.604
167 HB2 SER 26 1HB SER 26 7.457 -6.860 -1.715
168 HB3 SER 26 2HB SER 26 6.356 -6.651 -3.077
169 HG SER 26 HG SER 26 8.582 -5.969 -3.438
170 H ARG 27 H ARG 27 4.347 -5.027 -3.330
171 HA ARG 27 HA ARG 27 5.141 -2.625 -4.537
172 HB2 ARG 27 1HB ARG 27 2.372 -3.840 -4.508
173 HB3 ARG 27 2HB ARG 27 2.987 -2.675 -5.673
174 HG2 ARG 27 1HG ARG 27 4.247 -5.372 -5.291
175 HG3 ARG 27 2HG ARG 27 2.900 -5.101 -6.399
176 HD2 ARG 27 1HD ARG 27 4.768 -4.877 -7.765
177 HD3 ARG 27 2HD ARG 27 4.359 -3.210 -7.362
178 HE ARG 27 HE ARG 27 6.174 -4.007 -5.457
179 HH11 ARG 27 1HH1 ARG 27 6.115 -3.743 -8.928
180 HH12 ARG 27 2HH1 ARG 27 7.814 -3.428 -9.063
181 HH21 ARG 27 1HH2 ARG 27 8.411 -3.594 -5.622
182 HH22 ARG 27 2HH2 ARG 27 9.119 -3.344 -7.182
183 H LEU 28 H LEU 28 2.751 -3.284 -2.014
184 HA LEU 28 HA LEU 28 1.595 -0.762 -1.824
185 HB2 LEU 28 1HB LEU 28 0.663 -2.642 -0.664
186 HB3 LEU 28 2HB LEU 28 2.127 -2.830 0.300
187 HG LEU 28 HG LEU 28 1.559 -0.481 1.211
188 HD11 LEU 28 1HD1 LEU 28 -0.725 0.180 1.143
189 HD12 LEU 28 2HD1 LEU 28 -1.190 -1.294 0.294
190 HD13 LEU 28 3HD1 LEU 28 -0.202 -0.082 -0.521
191 HD21 LEU 28 3HD2 LEU 28 0.424 -1.439 3.016
192 HD22 LEU 28 1HD2 LEU 28 1.363 -2.771 2.342
193 HD23 LEU 28 2HD2 LEU 28 -0.363 -2.647 2.000
194 H ARG 29 H ARG 29 4.428 -2.058 -0.109
195 HA ARG 29 HA ARG 29 5.064 -0.022 1.571
196 HB2 ARG 29 1HB ARG 29 7.038 -1.505 -0.175
197 HB3 ARG 29 2HB ARG 29 7.416 -0.654 1.317
198 HG2 ARG 29 1HG ARG 29 5.662 -2.264 2.363
199 HG3 ARG 29 2HG ARG 29 5.976 -3.234 0.923
200 HD2 ARG 29 1HD ARG 29 8.130 -2.231 2.774
201 HD3 ARG 29 2HD ARG 29 7.374 -3.817 2.919
202 HE ARG 29 HE ARG 29 8.222 -3.789 0.359
203 HH11 ARG 29 1HH1 ARG 29 9.793 -3.091 3.386
204 HH12 ARG 29 2HH1 ARG 29 11.356 -3.605 2.843
205 HH21 ARG 29 1HH2 ARG 29 10.274 -4.469 -0.368
206 HH22 ARG 29 2HH2 ARG 29 11.629 -4.389 0.707
207 H ILE 30 H ILE 30 5.866 -0.172 -1.886
208 HA ILE 30 HA ILE 30 7.175 2.348 -1.951
209 HB ILE 30 HB ILE 30 5.940 0.751 -4.197
210 HG12 ILE 30 1HG1 ILE 30 8.872 1.038 -3.594
211 HG13 ILE 30 2HG1 ILE 30 7.903 -0.187 -2.783
212 HG21 ILE 30 1HG2 ILE 30 7.982 2.943 -4.454
213 HG22 ILE 30 2HG2 ILE 30 7.069 2.144 -5.733
214 HG23 ILE 30 3HG2 ILE 30 6.248 3.228 -4.610
215 HD11 ILE 30 3HD1 ILE 30 8.898 -0.079 -5.534
216 HD12 ILE 30 1HD1 ILE 30 8.524 -1.464 -4.509
217 HD13 ILE 30 2HD1 ILE 30 7.230 -0.625 -5.365
218 H HIS 31 H HIS 31 3.858 1.309 -2.413
219 HA HIS 31 HA HIS 31 2.937 3.808 -3.460
220 HB2 HIS 31 1HB HIS 31 1.630 1.933 -4.052
221 HB3 HIS 31 2HB HIS 31 1.553 1.357 -2.389
222 HD1 HIS 31 HD1 HIS 31 0.112 4.011 -4.645
223 HD2 HIS 31 HD2 HIS 31 -0.545 2.342 -0.897
224 HE1 HIS 31 HE1 HIS 31 -2.099 4.931 -3.878
225 H GLN 32 H GLN 32 3.468 2.505 -0.303
226 HA GLN 32 HA GLN 32 1.757 4.349 1.078
227 HB2 GLN 32 1HB GLN 32 3.936 2.486 2.021
228 HB3 GLN 32 2HB GLN 32 3.007 3.508 3.109
229 HG2 GLN 32 1HG GLN 32 1.003 2.361 2.635
230 HG3 GLN 32 2HG GLN 32 1.717 1.537 1.250
231 HE21 GLN 32 1HE2 GLN 32 0.608 0.953 4.174
232 HE22 GLN 32 2HE2 GLN 32 1.658 -0.319 4.688
233 H LYS 33 H LYS 33 5.182 4.170 0.278
234 HA LYS 33 HA LYS 33 5.942 6.440 1.830
235 HB2 LYS 33 1HB LYS 33 8.083 6.210 0.851
236 HB3 LYS 33 2HB LYS 33 7.464 4.573 1.025
237 HG2 LYS 33 1HG LYS 33 7.077 4.348 -1.266
238 HG3 LYS 33 2HG LYS 33 7.162 6.090 -1.541
239 HD2 LYS 33 1HD LYS 33 9.545 4.622 -0.484
240 HD3 LYS 33 2HD LYS 33 9.172 4.574 -2.209
241 HE2 LYS 33 1HE LYS 33 10.547 6.404 -2.136
242 HE3 LYS 33 2HE LYS 33 8.980 7.178 -1.906
243 HZ1 LYS 33 3HZ LYS 33 9.539 7.832 0.133
244 HZ2 LYS 33 1HZ LYS 33 11.135 7.446 -0.277
245 HZ3 LYS 33 2HZ LYS 33 10.180 6.324 0.555
246 H CYS 34 H CYS 34 4.489 6.014 -1.252
247 HA CYS 34 HA CYS 34 5.259 8.633 -2.231
248 HB2 CYS 34 1HB CYS 34 4.221 8.043 -4.258
249 HB3 CYS 34 2HB CYS 34 4.922 6.538 -3.676
250 HG CYS 34 HG CYS 34 2.400 6.067 -4.860
251 H HIS 35 H HIS 35 3.635 8.292 0.245
252 HA HIS 35 HA HIS 35 1.244 9.800 -0.589
253 HB2 HIS 35 1HB HIS 35 1.680 7.732 1.506
254 HB3 HIS 35 2HB HIS 35 0.558 9.037 1.881
255 HD1 HIS 35 HD1 HIS 35 -1.316 9.383 -0.172
256 HD2 HIS 35 HD2 HIS 35 0.470 5.659 0.278
257 HE1 HIS 35 HE1 HIS 35 -2.834 7.762 -1.352
258 H THR 36 H THR 36 3.676 11.115 -0.311
259 HA THR 36 HA THR 36 3.411 12.525 2.260
260 HB THR 36 HB THR 36 5.697 13.343 1.905
261 HG1 THR 36 HG1 THR 36 6.897 12.468 0.136
262 HG21 THR 36 3HG2 THR 36 5.064 10.983 2.877
263 HG22 THR 36 1HG2 THR 36 6.750 11.420 2.605
264 HG23 THR 36 2HG2 THR 36 5.903 10.403 1.440
265 H GLY 37 H GLY 37 1.635 13.795 1.469
266 HA2 GLY 37 1HA GLY 37 2.556 16.026 -0.224
267 HA3 GLY 37 2HA GLY 37 1.004 15.260 -0.533
268 H GLU 38 H GLU 38 0.247 14.883 2.190
269 HA GLU 38 HA GLU 38 -1.259 17.041 2.762
270 HB2 GLU 38 1HB GLU 38 -1.473 15.040 4.070
271 HB3 GLU 38 2HB GLU 38 0.151 15.225 4.719
272 HG2 GLU 38 1HG GLU 38 -1.038 16.003 6.482
273 HG3 GLU 38 2HG GLU 38 -0.841 17.511 5.590
274 H ARG 39 H ARG 39 -0.925 19.111 3.208
275 HA ARG 39 HA ARG 39 1.412 19.920 4.751
276 HB2 ARG 39 1HB ARG 39 2.060 20.017 2.339
277 HB3 ARG 39 2HB ARG 39 0.769 21.183 2.083
278 HG2 ARG 39 1HG ARG 39 2.016 22.443 4.048
279 HG3 ARG 39 2HG ARG 39 3.384 21.508 3.440
280 HD2 ARG 39 1HD ARG 39 2.805 22.381 1.145
281 HD3 ARG 39 2HD ARG 39 1.675 23.479 1.937
282 HE ARG 39 HE ARG 39 4.393 23.576 2.923
283 HH11 ARG 39 1HH1 ARG 39 2.045 24.883 0.710
284 HH12 ARG 39 2HH1 ARG 39 2.879 26.388 0.510
285 HH21 ARG 39 1HH2 ARG 39 5.500 25.554 2.669
286 HH22 ARG 39 2HH2 ARG 39 4.844 26.769 1.624
287 H HIS 40 H HIS 40 1.099 21.752 5.956
288 HA HIS 40 HA HIS 40 -1.269 22.480 6.950
289 HB2 HIS 40 1HB HIS 40 -0.313 24.791 7.335
290 HB3 HIS 40 2HB HIS 40 0.699 23.455 7.876
291 HD2 HIS 40 HD2 HIS 40 0.933 26.538 5.667
292 HE1 HIS 40 HE1 HIS 40 4.317 24.144 4.764
293 HE2 HIS 40 HE2 HIS 40 3.266 26.424 4.557
294 H SER 41 H SER 41 -3.127 23.230 6.193
295 HA SER 41 HA SER 41 -3.089 24.972 3.820
296 HB2 SER 41 1HB SER 41 -5.080 23.865 2.964
297 HB3 SER 41 2HB SER 41 -3.810 22.668 3.219
298 HG SER 41 HG SER 41 -5.554 23.137 5.336
299 H GLY 42 H GLY 42 -4.859 26.454 3.642
300 HA2 GLY 42 1HA GLY 42 -7.034 26.925 5.083
301 HA3 GLY 42 2HA GLY 42 -5.796 27.330 6.263
302 HA PRO 43 HA PRO 43 -6.869 31.037 3.566
303 HB2 PRO 43 1HB PRO 43 -7.813 32.611 5.567
304 HB3 PRO 43 2HB PRO 43 -8.842 31.509 4.644
305 HG2 PRO 43 1HG PRO 43 -7.608 31.133 7.346
306 HG3 PRO 43 2HG PRO 43 -9.247 30.734 6.799
307 HD2 PRO 43 1HD PRO 43 -7.293 28.873 7.021
308 HD3 PRO 43 2HD PRO 43 -8.570 28.774 5.793
309 H SER 44 H SER 44 -5.362 32.565 3.238
310 HA SER 44 HA SER 44 -3.828 33.688 5.406
311 HB2 SER 44 1HB SER 44 -1.643 32.979 4.613
312 HB3 SER 44 2HB SER 44 -2.631 31.555 4.938
313 HG SER 44 HG SER 44 -2.707 32.597 2.357
314 H SER 45 H SER 45 -2.642 35.542 4.799
315 HA SER 45 HA SER 45 -3.696 36.840 2.434
316 HB2 SER 45 1HB SER 45 -3.648 38.179 4.423
317 HB3 SER 45 2HB SER 45 -1.945 37.812 4.699
318 HG SER 45 HG SER 45 -3.110 39.653 3.006
319 H GLY 46 H GLY 46 -2.696 36.932 0.537
320 HA2 GLY 46 1HA GLY 46 0.219 36.442 0.481
321 HA3 GLY 46 2HA GLY 46 -0.880 35.824 -0.743
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -12.600 11.735 -8.747
2 HA2 GLY 1 1HA GLY 1 -14.413 10.507 -7.964
3 HA3 GLY 1 2HA GLY 1 -14.330 9.881 -9.604
4 H SER 2 H SER 2 -14.699 8.900 -6.577
5 HA SER 2 HA SER 2 -12.857 6.657 -6.596
6 HB2 SER 2 1HB SER 2 -13.608 6.197 -4.391
7 HB3 SER 2 2HB SER 2 -13.543 7.956 -4.505
8 HG SER 2 HG SER 2 -15.696 6.296 -4.146
9 H SER 3 H SER 3 -13.458 4.486 -6.701
10 HA SER 3 HA SER 3 -16.129 4.001 -7.850
11 HB2 SER 3 1HB SER 3 -14.120 3.699 -9.386
12 HB3 SER 3 2HB SER 3 -13.675 2.322 -8.378
13 HG SER 3 HG SER 3 -14.998 1.851 -10.283
14 H GLY 4 H GLY 4 -17.380 2.438 -6.980
15 HA2 GLY 4 1HA GLY 4 -16.868 1.496 -4.388
16 HA3 GLY 4 2HA GLY 4 -18.121 0.887 -5.460
17 H SER 5 H SER 5 -17.660 -1.191 -4.467
18 HA SER 5 HA SER 5 -15.580 -2.598 -5.951
19 HB2 SER 5 1HB SER 5 -14.542 -1.975 -3.787
20 HB3 SER 5 2HB SER 5 -15.838 -2.821 -2.941
21 HG SER 5 HG SER 5 -14.964 -4.576 -4.600
22 H SER 6 H SER 6 -16.172 -4.609 -6.560
23 HA SER 6 HA SER 6 -18.241 -6.070 -5.184
24 HB2 SER 6 1HB SER 6 -19.680 -6.246 -7.247
25 HB3 SER 6 2HB SER 6 -19.686 -4.658 -6.482
26 HG SER 6 HG SER 6 -17.994 -5.342 -8.651
27 H GLY 7 H GLY 7 -18.839 -8.080 -6.666
28 HA2 GLY 7 1HA GLY 7 -18.120 -9.953 -7.801
29 HA3 GLY 7 2HA GLY 7 -16.802 -8.990 -8.450
30 H THR 8 H THR 8 -16.959 -11.756 -7.271
31 HA THR 8 HA THR 8 -15.556 -11.712 -4.796
32 HB THR 8 HB THR 8 -15.712 -13.964 -6.810
33 HG1 THR 8 HG1 THR 8 -17.376 -14.578 -5.054
34 HG21 THR 8 3HG2 THR 8 -13.954 -14.243 -5.112
35 HG22 THR 8 1HG2 THR 8 -15.258 -15.411 -4.900
36 HG23 THR 8 2HG2 THR 8 -15.152 -14.004 -3.841
37 H GLY 9 H GLY 9 -13.789 -10.297 -5.149
38 HA2 GLY 9 1HA GLY 9 -11.414 -11.629 -6.026
39 HA3 GLY 9 2HA GLY 9 -11.905 -10.370 -7.150
40 H GLU 10 H GLU 10 -12.002 -10.524 -3.596
41 HA GLU 10 HA GLU 10 -11.045 -7.841 -3.367
42 HB2 GLU 10 1HB GLU 10 -11.234 -8.143 -1.002
43 HB3 GLU 10 2HB GLU 10 -12.609 -8.943 -1.749
44 HG2 GLU 10 1HG GLU 10 -11.586 -11.096 -1.451
45 HG3 GLU 10 2HG GLU 10 -10.106 -10.350 -0.851
46 H LYS 11 H LYS 11 -9.135 -7.242 -2.074
47 HA LYS 11 HA LYS 11 -6.867 -8.982 -2.754
48 HB2 LYS 11 1HB LYS 11 -6.948 -6.027 -2.115
49 HB3 LYS 11 2HB LYS 11 -5.488 -6.937 -2.482
50 HG2 LYS 11 1HG LYS 11 -7.789 -6.813 -4.400
51 HG3 LYS 11 2HG LYS 11 -6.539 -5.568 -4.357
52 HD2 LYS 11 1HD LYS 11 -4.829 -7.233 -4.798
53 HD3 LYS 11 2HD LYS 11 -6.037 -8.519 -4.750
54 HE2 LYS 11 1HE LYS 11 -7.176 -7.059 -6.621
55 HE3 LYS 11 2HE LYS 11 -5.536 -6.449 -6.836
56 HZ1 LYS 11 3HZ LYS 11 -4.916 -8.323 -7.830
57 HZ2 LYS 11 1HZ LYS 11 -6.557 -8.720 -7.938
58 HZ3 LYS 11 2HZ LYS 11 -5.629 -9.303 -6.649
59 HA PRO 12 HA PRO 12 -6.155 -9.898 1.493
60 HB2 PRO 12 1HB PRO 12 -3.515 -10.517 1.361
61 HB3 PRO 12 2HB PRO 12 -4.783 -11.582 0.744
62 HG2 PRO 12 1HG PRO 12 -3.027 -9.668 -0.743
63 HG3 PRO 12 2HG PRO 12 -3.502 -11.320 -1.179
64 HD2 PRO 12 1HD PRO 12 -4.682 -9.133 -2.255
65 HD3 PRO 12 2HD PRO 12 -5.558 -10.652 -1.978
66 H TYR 13 H TYR 13 -4.981 -7.190 -0.056
67 HA TYR 13 HA TYR 13 -3.996 -6.092 2.481
68 HB2 TYR 13 1HB TYR 13 -2.668 -5.645 -0.200
69 HB3 TYR 13 2HB TYR 13 -2.181 -4.926 1.331
70 HD1 TYR 13 HD1 TYR 13 -1.472 -6.549 3.208
71 HD2 TYR 13 HD2 TYR 13 -1.744 -7.672 -0.887
72 HE1 TYR 13 HE1 TYR 13 0.008 -8.465 3.641
73 HE2 TYR 13 HE2 TYR 13 -0.266 -9.592 -0.465
74 HH TYR 13 HH TYR 13 0.358 -11.024 1.561
75 H LYS 14 H LYS 14 -3.923 -3.677 2.441
76 HA LYS 14 HA LYS 14 -5.382 -2.232 0.476
77 HB2 LYS 14 1HB LYS 14 -7.253 -3.433 1.572
78 HB3 LYS 14 2HB LYS 14 -6.793 -2.710 3.108
79 HG2 LYS 14 1HG LYS 14 -7.337 -0.521 2.316
80 HG3 LYS 14 2HG LYS 14 -7.600 -1.127 0.679
81 HD2 LYS 14 1HD LYS 14 -9.499 -2.436 1.448
82 HD3 LYS 14 2HD LYS 14 -9.214 -1.909 3.108
83 HE2 LYS 14 1HE LYS 14 -9.591 0.429 2.379
84 HE3 LYS 14 2HE LYS 14 -9.984 -0.168 0.767
85 HZ1 LYS 14 3HZ LYS 14 -11.886 0.295 2.396
86 HZ2 LYS 14 1HZ LYS 14 -11.437 -1.159 3.135
87 HZ3 LYS 14 2HZ LYS 14 -11.927 -1.150 1.517
88 H CYS 15 H CYS 15 -4.252 -0.410 0.478
89 HA CYS 15 HA CYS 15 -2.573 0.536 2.435
90 HB2 CYS 15 1HB CYS 15 -2.414 1.476 0.257
91 HB3 CYS 15 2HB CYS 15 -4.093 2.005 0.284
92 H SER 16 H SER 16 -2.710 2.195 3.997
93 HA SER 16 HA SER 16 -5.384 2.443 5.175
94 HB2 SER 16 1HB SER 16 -3.312 1.554 6.462
95 HB3 SER 16 2HB SER 16 -2.832 3.248 6.548
96 HG SER 16 HG SER 16 -5.183 2.048 7.576
97 H ASP 17 H ASP 17 -2.698 4.312 3.935
98 HA ASP 17 HA ASP 17 -3.340 6.848 4.851
99 HB2 ASP 17 1HB ASP 17 -2.038 5.886 2.314
100 HB3 ASP 17 2HB ASP 17 -2.286 7.604 2.617
101 H CYS 18 H CYS 18 -4.293 5.420 1.722
102 HA CYS 18 HA CYS 18 -6.522 7.341 1.626
103 HB2 CYS 18 1HB CYS 18 -6.551 6.882 -0.820
104 HB3 CYS 18 2HB CYS 18 -5.033 7.579 -0.264
105 H GLY 19 H GLY 19 -5.679 3.956 0.930
106 HA2 GLY 19 1HA GLY 19 -7.293 2.341 1.987
107 HA3 GLY 19 2HA GLY 19 -8.546 3.295 1.207
108 H LYS 20 H LYS 20 -5.666 2.936 -0.590
109 HA LYS 20 HA LYS 20 -6.960 1.634 -2.727
110 HB2 LYS 20 1HB LYS 20 -4.062 2.153 -2.094
111 HB3 LYS 20 2HB LYS 20 -4.550 1.291 -3.547
112 HG2 LYS 20 1HG LYS 20 -5.817 3.917 -2.985
113 HG3 LYS 20 2HG LYS 20 -4.143 3.894 -3.546
114 HD2 LYS 20 1HD LYS 20 -4.714 2.881 -5.574
115 HD3 LYS 20 2HD LYS 20 -6.279 2.336 -4.965
116 HE2 LYS 20 1HE LYS 20 -6.728 4.145 -6.419
117 HE3 LYS 20 2HE LYS 20 -6.918 4.771 -4.782
118 HZ1 LYS 20 3HZ LYS 20 -5.417 6.312 -5.239
119 HZ2 LYS 20 1HZ LYS 20 -5.230 5.706 -6.808
120 HZ3 LYS 20 2HZ LYS 20 -4.253 5.126 -5.555
121 H SER 21 H SER 21 -6.042 -0.430 -3.724
122 HA SER 21 HA SER 21 -5.724 -2.454 -1.604
123 HB2 SER 21 1HB SER 21 -7.099 -2.746 -4.286
124 HB3 SER 21 2HB SER 21 -6.892 -4.033 -3.099
125 HG SER 21 HG SER 21 -8.015 -2.379 -1.657
126 H PHE 22 H PHE 22 -4.327 -4.194 -1.985
127 HA PHE 22 HA PHE 22 -2.683 -4.128 -4.396
128 HB2 PHE 22 1HB PHE 22 -1.419 -4.149 -1.653
129 HB3 PHE 22 2HB PHE 22 -0.599 -4.056 -3.208
130 HD1 PHE 22 HD1 PHE 22 -3.179 -2.203 -1.250
131 HD2 PHE 22 HD2 PHE 22 0.144 -2.002 -3.903
132 HE1 PHE 22 HE1 PHE 22 -3.231 0.254 -1.124
133 HE2 PHE 22 HE2 PHE 22 0.097 0.455 -3.780
134 HZ PHE 22 HZ PHE 22 -1.591 1.586 -2.389
135 H THR 23 H THR 23 -1.540 -6.076 -4.800
136 HA THR 23 HA THR 23 -2.792 -8.394 -3.538
137 HB THR 23 HB THR 23 -1.636 -9.663 -5.406
138 HG1 THR 23 HG1 THR 23 -1.362 -7.209 -6.742
139 HG21 THR 23 3HG2 THR 23 -4.018 -8.951 -5.467
140 HG22 THR 23 1HG2 THR 23 -3.275 -9.038 -7.063
141 HG23 THR 23 2HG2 THR 23 -3.518 -7.472 -6.288
142 H TRP 24 H TRP 24 0.359 -6.917 -4.017
143 HA TRP 24 HA TRP 24 1.507 -8.934 -2.199
144 HB2 TRP 24 1HB TRP 24 3.066 -7.404 -4.283
145 HB3 TRP 24 2HB TRP 24 3.597 -8.795 -3.341
146 HD1 TRP 24 HD1 TRP 24 1.371 -7.881 -6.330
147 HE1 TRP 24 HE1 TRP 24 0.934 -10.013 -7.704
148 HE3 TRP 24 HE3 TRP 24 3.492 -11.317 -3.194
149 HZ2 TRP 24 HZ2 TRP 24 1.423 -12.784 -7.487
150 HZ3 TRP 24 HZ3 TRP 24 3.465 -13.688 -3.852
151 HH2 TRP 24 HH2 TRP 24 2.451 -14.404 -5.954
152 H LYS 25 H LYS 25 3.051 -8.210 -0.678
153 HA LYS 25 HA LYS 25 2.474 -5.749 0.535
154 HB2 LYS 25 1HB LYS 25 4.511 -7.879 0.910
155 HB3 LYS 25 2HB LYS 25 4.853 -6.313 1.633
156 HG2 LYS 25 1HG LYS 25 2.169 -7.480 2.102
157 HG3 LYS 25 2HG LYS 25 3.545 -8.217 2.926
158 HD2 LYS 25 1HD LYS 25 2.824 -6.603 4.438
159 HD3 LYS 25 2HD LYS 25 4.151 -5.798 3.597
160 HE2 LYS 25 1HE LYS 25 2.181 -4.344 3.870
161 HE3 LYS 25 2HE LYS 25 2.585 -4.624 2.177
162 HZ1 LYS 25 3HZ LYS 25 0.704 -5.802 1.826
163 HZ2 LYS 25 1HZ LYS 25 0.133 -4.856 3.107
164 HZ3 LYS 25 2HZ LYS 25 0.655 -6.440 3.392
165 H SER 26 H SER 26 5.597 -6.704 -0.906
166 HA SER 26 HA SER 26 6.945 -4.388 -0.927
167 HB2 SER 26 1HB SER 26 7.874 -6.400 -1.921
168 HB3 SER 26 2HB SER 26 6.727 -6.309 -3.257
169 HG SER 26 HG SER 26 8.874 -4.560 -2.670
170 H ARG 27 H ARG 27 4.370 -5.220 -3.209
171 HA ARG 27 HA ARG 27 4.559 -2.950 -4.843
172 HB2 ARG 27 1HB ARG 27 2.025 -4.453 -4.177
173 HB3 ARG 27 2HB ARG 27 2.350 -3.504 -5.621
174 HG2 ARG 27 1HG ARG 27 4.090 -5.838 -4.981
175 HG3 ARG 27 2HG ARG 27 2.494 -6.103 -5.686
176 HD2 ARG 27 1HD ARG 27 4.668 -4.362 -6.845
177 HD3 ARG 27 2HD ARG 27 4.244 -5.981 -7.400
178 HE ARG 27 HE ARG 27 2.857 -3.534 -7.975
179 HH11 ARG 27 1HH1 ARG 27 2.552 -6.990 -7.696
180 HH12 ARG 27 2HH1 ARG 27 1.183 -7.086 -8.754
181 HH21 ARG 27 1HH2 ARG 27 1.055 -3.646 -9.369
182 HH22 ARG 27 2HH2 ARG 27 0.333 -5.183 -9.706
183 H LEU 28 H LEU 28 2.637 -3.550 -1.923
184 HA LEU 28 HA LEU 28 1.257 -1.104 -1.904
185 HB2 LEU 28 1HB LEU 28 0.433 -2.825 -0.530
186 HB3 LEU 28 2HB LEU 28 1.996 -3.058 0.250
187 HG LEU 28 HG LEU 28 1.708 -0.829 1.335
188 HD11 LEU 28 1HD1 LEU 28 -0.598 -0.784 -0.415
189 HD12 LEU 28 2HD1 LEU 28 0.171 0.529 0.477
190 HD13 LEU 28 3HD1 LEU 28 -1.038 -0.484 1.267
191 HD21 LEU 28 3HD2 LEU 28 -0.322 -1.693 2.765
192 HD22 LEU 28 1HD2 LEU 28 1.236 -2.519 2.806
193 HD23 LEU 28 2HD2 LEU 28 -0.077 -3.163 1.820
194 H ARG 29 H ARG 29 4.126 -2.080 -0.020
195 HA ARG 29 HA ARG 29 4.711 0.198 1.317
196 HB2 ARG 29 1HB ARG 29 6.580 -1.701 -0.094
197 HB3 ARG 29 2HB ARG 29 7.164 -0.393 0.926
198 HG2 ARG 29 1HG ARG 29 5.696 -1.380 2.756
199 HG3 ARG 29 2HG ARG 29 5.558 -2.799 1.715
200 HD2 ARG 29 1HD ARG 29 8.242 -1.658 2.391
201 HD3 ARG 29 2HD ARG 29 7.412 -2.724 3.525
202 HE ARG 29 HE ARG 29 7.790 -4.502 2.103
203 HH11 ARG 29 1HH1 ARG 29 8.650 -1.511 0.542
204 HH12 ARG 29 2HH1 ARG 29 9.455 -2.283 -0.784
205 HH21 ARG 29 1HH2 ARG 29 8.846 -5.530 0.363
206 HH22 ARG 29 2HH2 ARG 29 9.565 -4.569 -0.885
207 H ILE 30 H ILE 30 5.553 -0.453 -2.072
208 HA ILE 30 HA ILE 30 6.951 1.893 -2.609
209 HB ILE 30 HB ILE 30 5.177 0.335 -4.493
210 HG12 ILE 30 1HG1 ILE 30 8.174 0.155 -4.223
211 HG13 ILE 30 2HG1 ILE 30 7.092 -0.872 -3.289
212 HG21 ILE 30 1HG2 ILE 30 6.013 2.765 -5.042
213 HG22 ILE 30 2HG2 ILE 30 7.526 1.929 -5.386
214 HG23 ILE 30 3HG2 ILE 30 6.060 1.492 -6.262
215 HD11 ILE 30 3HD1 ILE 30 8.046 -1.243 -5.921
216 HD12 ILE 30 1HD1 ILE 30 6.965 -2.276 -4.986
217 HD13 ILE 30 2HD1 ILE 30 6.301 -1.001 -6.008
218 H HIS 31 H HIS 31 3.488 1.267 -2.568
219 HA HIS 31 HA HIS 31 2.815 3.871 -3.605
220 HB2 HIS 31 1HB HIS 31 1.238 2.226 -4.162
221 HB3 HIS 31 2HB HIS 31 1.227 1.554 -2.534
222 HD1 HIS 31 HD1 HIS 31 -0.484 3.969 -4.694
223 HD2 HIS 31 HD2 HIS 31 -0.215 3.181 -0.624
224 HE1 HIS 31 HE1 HIS 31 -2.407 5.202 -3.642
225 H GLN 32 H GLN 32 3.011 2.315 -0.461
226 HA GLN 32 HA GLN 32 1.666 4.159 1.109
227 HB2 GLN 32 1HB GLN 32 4.169 2.626 1.831
228 HB3 GLN 32 2HB GLN 32 3.053 3.365 2.971
229 HG2 GLN 32 1HG GLN 32 1.292 1.850 1.780
230 HG3 GLN 32 2HG GLN 32 2.714 0.927 1.297
231 HE21 GLN 32 1HE2 GLN 32 0.671 1.886 3.914
232 HE22 GLN 32 2HE2 GLN 32 1.335 0.820 5.101
233 H LYS 33 H LYS 33 5.190 4.062 0.546
234 HA LYS 33 HA LYS 33 5.928 6.378 1.796
235 HB2 LYS 33 1HB LYS 33 7.849 6.457 0.321
236 HB3 LYS 33 2HB LYS 33 7.494 4.785 0.733
237 HG2 LYS 33 1HG LYS 33 7.837 4.547 -1.495
238 HG3 LYS 33 2HG LYS 33 6.109 4.906 -1.518
239 HD2 LYS 33 1HD LYS 33 6.950 6.333 -3.144
240 HD3 LYS 33 2HD LYS 33 6.870 7.373 -1.721
241 HE2 LYS 33 1HE LYS 33 9.225 7.087 -1.319
242 HE3 LYS 33 2HE LYS 33 9.341 5.892 -2.610
243 HZ1 LYS 33 3HZ LYS 33 10.143 7.932 -3.462
244 HZ2 LYS 33 1HZ LYS 33 8.807 8.795 -2.884
245 HZ3 LYS 33 2HZ LYS 33 8.618 7.696 -4.156
246 H CYS 34 H CYS 34 4.547 6.041 -1.439
247 HA CYS 34 HA CYS 34 4.860 8.465 -2.570
248 HB2 CYS 34 1HB CYS 34 3.419 6.483 -3.352
249 HB3 CYS 34 2HB CYS 34 2.112 7.239 -2.449
250 HG CYS 34 HG CYS 34 1.470 8.133 -4.857
251 H HIS 35 H HIS 35 2.445 7.719 -0.072
252 HA HIS 35 HA HIS 35 1.261 10.248 0.065
253 HB2 HIS 35 1HB HIS 35 1.605 8.151 2.218
254 HB3 HIS 35 2HB HIS 35 0.558 9.560 2.362
255 HD1 HIS 35 HD1 HIS 35 -1.455 9.657 0.567
256 HD2 HIS 35 HD2 HIS 35 0.456 5.995 1.010
257 HE1 HIS 35 HE1 HIS 35 -3.015 7.959 -0.437
258 H THR 36 H THR 36 3.685 8.883 2.303
259 HA THR 36 HA THR 36 4.245 11.442 3.459
260 HB THR 36 HB THR 36 4.466 9.303 4.720
261 HG1 THR 36 HG1 THR 36 6.993 10.573 4.648
262 HG21 THR 36 3HG2 THR 36 7.057 8.502 4.103
263 HG22 THR 36 1HG2 THR 36 6.276 8.710 2.536
264 HG23 THR 36 2HG2 THR 36 5.570 7.628 3.737
265 H GLY 37 H GLY 37 6.605 12.172 3.629
266 HA2 GLY 37 1HA GLY 37 8.782 12.104 2.438
267 HA3 GLY 37 2HA GLY 37 7.849 11.989 0.953
268 H GLU 38 H GLU 38 6.686 14.065 3.454
269 HA GLU 38 HA GLU 38 7.839 16.412 2.119
270 HB2 GLU 38 1HB GLU 38 4.944 15.792 2.563
271 HB3 GLU 38 2HB GLU 38 5.484 17.464 2.588
272 HG2 GLU 38 1HG GLU 38 6.184 17.388 0.350
273 HG3 GLU 38 2HG GLU 38 6.109 15.627 0.303
274 H ARG 39 H ARG 39 7.460 18.437 3.435
275 HA ARG 39 HA ARG 39 7.526 17.819 6.314
276 HB2 ARG 39 1HB ARG 39 9.279 19.713 4.749
277 HB3 ARG 39 2HB ARG 39 9.159 19.739 6.503
278 HG2 ARG 39 1HG ARG 39 9.830 17.275 6.405
279 HG3 ARG 39 2HG ARG 39 10.299 17.606 4.736
280 HD2 ARG 39 1HD ARG 39 12.265 17.905 5.975
281 HD3 ARG 39 2HD ARG 39 11.667 19.538 5.684
282 HE ARG 39 HE ARG 39 10.823 18.364 8.184
283 HH11 ARG 39 1HH1 ARG 39 13.222 20.280 6.542
284 HH12 ARG 39 2HH1 ARG 39 13.780 21.056 7.987
285 HH21 ARG 39 1HH2 ARG 39 11.549 19.379 10.093
286 HH22 ARG 39 2HH2 ARG 39 12.828 20.542 10.006
287 H HIS 40 H HIS 40 5.222 18.595 4.861
288 HA HIS 40 HA HIS 40 4.743 21.258 6.026
289 HB2 HIS 40 1HB HIS 40 3.610 21.999 4.161
290 HB3 HIS 40 2HB HIS 40 4.825 20.973 3.404
291 HD2 HIS 40 HD2 HIS 40 3.842 18.729 2.098
292 HE1 HIS 40 HE1 HIS 40 -0.256 19.507 2.875
293 HE2 HIS 40 HE2 HIS 40 1.389 18.031 1.666
294 H SER 41 H SER 41 3.308 18.172 5.050
295 HA SER 41 HA SER 41 0.775 18.580 6.201
296 HB2 SER 41 1HB SER 41 1.288 16.785 4.565
297 HB3 SER 41 2HB SER 41 2.229 15.953 5.803
298 HG SER 41 HG SER 41 0.279 15.867 7.055
299 H GLY 42 H GLY 42 3.530 16.682 7.455
300 HA2 GLY 42 1HA GLY 42 3.908 17.482 9.923
301 HA3 GLY 42 2HA GLY 42 2.315 16.767 10.120
302 HA PRO 43 HA PRO 43 5.925 13.603 10.279
303 HB2 PRO 43 1HB PRO 43 6.395 13.534 12.952
304 HB3 PRO 43 2HB PRO 43 7.277 14.597 11.850
305 HG2 PRO 43 1HG PRO 43 4.959 15.224 13.638
306 HG3 PRO 43 2HG PRO 43 6.429 16.170 13.338
307 HD2 PRO 43 1HD PRO 43 4.064 16.739 12.150
308 HD3 PRO 43 2HD PRO 43 5.625 17.027 11.356
309 H SER 44 H SER 44 3.129 14.261 12.295
310 HA SER 44 HA SER 44 2.000 11.711 11.856
311 HB2 SER 44 1HB SER 44 3.914 11.398 13.665
312 HB3 SER 44 2HB SER 44 2.670 12.014 14.753
313 HG SER 44 HG SER 44 2.057 9.944 12.954
314 H SER 45 H SER 45 0.015 11.381 13.256
315 HA SER 45 HA SER 45 -1.437 13.869 13.335
316 HB2 SER 45 1HB SER 45 -2.327 11.586 12.543
317 HB3 SER 45 2HB SER 45 -2.497 11.202 14.256
318 HG SER 45 HG SER 45 -4.368 12.187 13.105
319 H GLY 46 H GLY 46 0.545 14.073 15.174
320 HA2 GLY 46 1HA GLY 46 -0.992 14.307 17.639
321 HA3 GLY 46 2HA GLY 46 0.436 13.286 17.712
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -24.370 -1.869 -3.488
2 HA2 GLY 1 1HA GLY 1 -23.139 -4.184 -3.234
3 HA3 GLY 1 2HA GLY 1 -21.977 -3.157 -2.407
4 H SER 2 H SER 2 -22.213 -4.005 -0.379
5 HA SER 2 HA SER 2 -24.640 -3.237 1.027
6 HB2 SER 2 1HB SER 2 -23.605 -6.077 1.179
7 HB3 SER 2 2HB SER 2 -25.014 -5.420 2.011
8 HG SER 2 HG SER 2 -26.140 -5.493 0.202
9 H SER 3 H SER 3 -24.367 -3.751 3.449
10 HA SER 3 HA SER 3 -21.797 -2.681 4.242
11 HB2 SER 3 1HB SER 3 -22.787 -2.341 6.404
12 HB3 SER 3 2HB SER 3 -23.988 -1.879 5.198
13 HG SER 3 HG SER 3 -23.874 -4.405 6.489
14 H GLY 4 H GLY 4 -20.223 -3.714 5.370
15 HA2 GLY 4 1HA GLY 4 -19.867 -5.620 7.018
16 HA3 GLY 4 2HA GLY 4 -20.611 -6.611 5.772
17 H SER 5 H SER 5 -19.410 -7.312 4.064
18 HA SER 5 HA SER 5 -16.531 -6.809 4.254
19 HB2 SER 5 1HB SER 5 -17.362 -9.164 4.294
20 HB3 SER 5 2HB SER 5 -17.977 -8.936 2.658
21 HG SER 5 HG SER 5 -15.533 -9.624 3.392
22 H SER 6 H SER 6 -16.289 -4.869 3.188
23 HA SER 6 HA SER 6 -17.434 -3.790 1.036
24 HB2 SER 6 1HB SER 6 -14.539 -3.897 1.812
25 HB3 SER 6 2HB SER 6 -15.014 -3.080 0.323
26 HG SER 6 HG SER 6 -16.667 -2.112 1.971
27 H GLY 7 H GLY 7 -14.737 -6.111 0.731
28 HA2 GLY 7 1HA GLY 7 -14.086 -7.438 -1.029
29 HA3 GLY 7 2HA GLY 7 -15.810 -7.688 -1.259
30 H THR 8 H THR 8 -13.905 -4.724 -1.651
31 HA THR 8 HA THR 8 -14.905 -4.555 -4.409
32 HB THR 8 HB THR 8 -15.454 -2.652 -2.937
33 HG1 THR 8 HG1 THR 8 -14.143 -1.075 -4.410
34 HG21 THR 8 3HG2 THR 8 -13.918 -1.405 -1.795
35 HG22 THR 8 1HG2 THR 8 -12.631 -1.725 -2.956
36 HG23 THR 8 2HG2 THR 8 -13.080 -2.956 -1.776
37 H GLY 9 H GLY 9 -12.018 -4.791 -2.496
38 HA2 GLY 9 1HA GLY 9 -10.313 -4.188 -4.798
39 HA3 GLY 9 2HA GLY 9 -9.772 -4.426 -3.143
40 H GLU 10 H GLU 10 -10.892 -6.851 -2.513
41 HA GLU 10 HA GLU 10 -10.718 -9.112 -2.802
42 HB2 GLU 10 1HB GLU 10 -11.439 -8.467 -5.216
43 HB3 GLU 10 2HB GLU 10 -9.747 -8.725 -5.616
44 HG2 GLU 10 1HG GLU 10 -10.730 -10.762 -6.096
45 HG3 GLU 10 2HG GLU 10 -10.041 -11.013 -4.493
46 H LYS 11 H LYS 11 -8.612 -7.529 -1.780
47 HA LYS 11 HA LYS 11 -6.346 -9.281 -2.408
48 HB2 LYS 11 1HB LYS 11 -6.398 -6.288 -2.491
49 HB3 LYS 11 2HB LYS 11 -4.923 -7.110 -1.998
50 HG2 LYS 11 1HG LYS 11 -4.520 -6.939 -4.222
51 HG3 LYS 11 2HG LYS 11 -5.379 -8.481 -4.215
52 HD2 LYS 11 1HD LYS 11 -7.495 -7.152 -4.626
53 HD3 LYS 11 2HD LYS 11 -6.453 -5.759 -4.928
54 HE2 LYS 11 1HE LYS 11 -5.376 -6.906 -6.755
55 HE3 LYS 11 2HE LYS 11 -6.270 -8.384 -6.401
56 HZ1 LYS 11 3HZ LYS 11 -8.209 -6.498 -6.720
57 HZ2 LYS 11 1HZ LYS 11 -7.743 -7.645 -7.873
58 HZ3 LYS 11 2HZ LYS 11 -7.076 -6.091 -7.908
59 HA PRO 12 HA PRO 12 -6.034 -9.647 1.965
60 HB2 PRO 12 1HB PRO 12 -3.426 -10.370 2.174
61 HB3 PRO 12 2HB PRO 12 -4.679 -11.460 1.571
62 HG2 PRO 12 1HG PRO 12 -2.702 -9.816 0.039
63 HG3 PRO 12 2HG PRO 12 -3.212 -11.492 -0.232
64 HD2 PRO 12 1HD PRO 12 -4.180 -9.422 -1.684
65 HD3 PRO 12 2HD PRO 12 -5.150 -10.862 -1.309
66 H TYR 13 H TYR 13 -4.360 -7.301 0.175
67 HA TYR 13 HA TYR 13 -3.476 -5.967 2.650
68 HB2 TYR 13 1HB TYR 13 -2.315 -5.563 -0.111
69 HB3 TYR 13 2HB TYR 13 -1.704 -4.907 1.404
70 HD1 TYR 13 HD1 TYR 13 -1.202 -6.811 3.236
71 HD2 TYR 13 HD2 TYR 13 -1.212 -7.387 -0.980
72 HE1 TYR 13 HE1 TYR 13 0.248 -8.779 3.507
73 HE2 TYR 13 HE2 TYR 13 0.237 -9.358 -0.720
74 HH TYR 13 HH TYR 13 1.711 -10.372 0.790
75 H LYS 14 H LYS 14 -3.511 -3.590 2.567
76 HA LYS 14 HA LYS 14 -4.982 -2.192 0.591
77 HB2 LYS 14 1HB LYS 14 -6.817 -3.500 1.703
78 HB3 LYS 14 2HB LYS 14 -6.459 -2.630 3.189
79 HG2 LYS 14 1HG LYS 14 -6.828 -0.514 1.721
80 HG3 LYS 14 2HG LYS 14 -7.689 -1.634 0.662
81 HD2 LYS 14 1HD LYS 14 -9.407 -0.933 2.010
82 HD3 LYS 14 2HD LYS 14 -8.854 -2.348 2.910
83 HE2 LYS 14 1HE LYS 14 -7.345 -0.712 4.178
84 HE3 LYS 14 2HE LYS 14 -8.348 0.557 3.478
85 HZ1 LYS 14 3HZ LYS 14 -9.484 -1.706 5.014
86 HZ2 LYS 14 1HZ LYS 14 -10.241 -0.256 4.582
87 HZ3 LYS 14 2HZ LYS 14 -9.014 -0.255 5.746
88 H CYS 15 H CYS 15 -3.998 -0.291 0.631
89 HA CYS 15 HA CYS 15 -2.408 0.676 2.699
90 HB2 CYS 15 1HB CYS 15 -2.456 1.406 0.250
91 HB3 CYS 15 2HB CYS 15 -3.801 2.450 0.697
92 H SER 16 H SER 16 -3.036 1.195 4.682
93 HA SER 16 HA SER 16 -5.726 2.098 5.222
94 HB2 SER 16 1HB SER 16 -4.967 2.103 7.598
95 HB3 SER 16 2HB SER 16 -4.700 0.558 6.791
96 HG SER 16 HG SER 16 -2.614 2.368 6.641
97 H ASP 17 H ASP 17 -4.308 3.874 3.570
98 HA ASP 17 HA ASP 17 -4.175 6.228 5.329
99 HB2 ASP 17 1HB ASP 17 -2.319 5.562 3.036
100 HB3 ASP 17 2HB ASP 17 -2.394 7.139 3.817
101 H CYS 18 H CYS 18 -4.673 5.006 2.045
102 HA CYS 18 HA CYS 18 -6.311 7.390 1.479
103 HB2 CYS 18 1HB CYS 18 -5.922 6.785 -0.944
104 HB3 CYS 18 2HB CYS 18 -4.494 7.323 -0.065
105 H GLY 19 H GLY 19 -6.073 3.901 0.783
106 HA2 GLY 19 1HA GLY 19 -8.121 2.615 1.419
107 HA3 GLY 19 2HA GLY 19 -9.021 3.863 0.570
108 H LYS 20 H LYS 20 -6.036 2.166 -0.337
109 HA LYS 20 HA LYS 20 -7.421 1.252 -2.773
110 HB2 LYS 20 1HB LYS 20 -4.697 2.353 -2.303
111 HB3 LYS 20 2HB LYS 20 -4.857 1.088 -3.515
112 HG2 LYS 20 1HG LYS 20 -4.995 3.278 -4.537
113 HG3 LYS 20 2HG LYS 20 -6.533 2.425 -4.690
114 HD2 LYS 20 1HD LYS 20 -7.326 3.673 -2.668
115 HD3 LYS 20 2HD LYS 20 -5.842 4.626 -2.748
116 HE2 LYS 20 1HE LYS 20 -7.929 4.416 -4.917
117 HE3 LYS 20 2HE LYS 20 -7.720 5.779 -3.818
118 HZ1 LYS 20 3HZ LYS 20 -6.184 6.611 -5.156
119 HZ2 LYS 20 1HZ LYS 20 -6.463 5.358 -6.258
120 HZ3 LYS 20 2HZ LYS 20 -5.266 5.192 -5.074
121 H SER 21 H SER 21 -6.597 -0.780 -3.705
122 HA SER 21 HA SER 21 -5.831 -2.661 -1.572
123 HB2 SER 21 1HB SER 21 -6.919 -4.403 -3.003
124 HB3 SER 21 2HB SER 21 -8.034 -3.161 -2.434
125 HG SER 21 HG SER 21 -7.905 -2.182 -4.465
126 H PHE 22 H PHE 22 -4.264 -4.221 -1.968
127 HA PHE 22 HA PHE 22 -2.833 -4.109 -4.515
128 HB2 PHE 22 1HB PHE 22 -1.405 -3.891 -1.860
129 HB3 PHE 22 2HB PHE 22 -0.678 -3.837 -3.463
130 HD1 PHE 22 HD1 PHE 22 -3.380 -2.072 -1.583
131 HD2 PHE 22 HD2 PHE 22 -0.047 -1.771 -4.213
132 HE1 PHE 22 HE1 PHE 22 -3.620 0.377 -1.602
133 HE2 PHE 22 HE2 PHE 22 -0.281 0.678 -4.235
134 HZ PHE 22 HZ PHE 22 -2.069 1.755 -2.928
135 H THR 23 H THR 23 -2.148 -6.051 -5.197
136 HA THR 23 HA THR 23 -2.921 -8.390 -3.759
137 HB THR 23 HB THR 23 -1.153 -8.247 -6.207
138 HG1 THR 23 HG1 THR 23 -3.155 -8.509 -7.342
139 HG21 THR 23 3HG2 THR 23 -1.574 -10.411 -4.718
140 HG22 THR 23 1HG2 THR 23 -1.486 -10.491 -6.477
141 HG23 THR 23 2HG2 THR 23 -3.055 -10.466 -5.673
142 H TRP 24 H TRP 24 0.203 -6.912 -4.563
143 HA TRP 24 HA TRP 24 1.553 -8.862 -2.842
144 HB2 TRP 24 1HB TRP 24 2.511 -6.957 -4.962
145 HB3 TRP 24 2HB TRP 24 3.636 -7.662 -3.806
146 HD1 TRP 24 HD1 TRP 24 1.406 -8.605 -6.768
147 HE1 TRP 24 HE1 TRP 24 2.115 -10.926 -7.625
148 HE3 TRP 24 HE3 TRP 24 4.722 -9.852 -3.083
149 HZ2 TRP 24 HZ2 TRP 24 3.850 -13.010 -6.841
150 HZ3 TRP 24 HZ3 TRP 24 5.864 -12.028 -3.210
151 HH2 TRP 24 HH2 TRP 24 5.435 -13.573 -5.051
152 H LYS 25 H LYS 25 2.608 -8.306 -0.994
153 HA LYS 25 HA LYS 25 1.804 -5.975 0.376
154 HB2 LYS 25 1HB LYS 25 2.527 -8.192 1.385
155 HB3 LYS 25 2HB LYS 25 4.185 -7.690 1.078
156 HG2 LYS 25 1HG LYS 25 4.132 -6.050 2.685
157 HG3 LYS 25 2HG LYS 25 2.376 -5.885 2.612
158 HD2 LYS 25 1HD LYS 25 2.982 -6.947 4.688
159 HD3 LYS 25 2HD LYS 25 2.169 -8.125 3.655
160 HE2 LYS 25 1HE LYS 25 4.100 -9.315 3.265
161 HE3 LYS 25 2HE LYS 25 5.143 -7.926 3.566
162 HZ1 LYS 25 3HZ LYS 25 4.763 -9.917 5.305
163 HZ2 LYS 25 1HZ LYS 25 3.593 -8.819 5.843
164 HZ3 LYS 25 2HZ LYS 25 5.215 -8.350 5.754
165 H SER 26 H SER 26 4.893 -6.884 -1.124
166 HA SER 26 HA SER 26 6.390 -4.660 -0.421
167 HB2 SER 26 1HB SER 26 7.327 -6.663 -1.524
168 HB3 SER 26 2HB SER 26 6.528 -6.199 -3.026
169 HG SER 26 HG SER 26 7.797 -4.093 -2.496
170 H ARG 27 H ARG 27 4.378 -5.136 -3.315
171 HA ARG 27 HA ARG 27 4.833 -2.767 -4.626
172 HB2 ARG 27 1HB ARG 27 2.163 -4.160 -4.354
173 HB3 ARG 27 2HB ARG 27 2.611 -3.022 -5.617
174 HG2 ARG 27 1HG ARG 27 4.019 -5.639 -5.155
175 HG3 ARG 27 2HG ARG 27 2.680 -5.425 -6.285
176 HD2 ARG 27 1HD ARG 27 3.948 -3.833 -7.566
177 HD3 ARG 27 2HD ARG 27 5.248 -3.850 -6.376
178 HE ARG 27 HE ARG 27 4.742 -5.812 -8.432
179 HH11 ARG 27 1HH1 ARG 27 6.326 -5.124 -5.409
180 HH12 ARG 27 2HH1 ARG 27 7.516 -6.369 -5.599
181 HH21 ARG 27 1HH2 ARG 27 6.303 -7.454 -8.694
182 HH22 ARG 27 2HH2 ARG 27 7.502 -7.693 -7.469
183 H LEU 28 H LEU 28 2.388 -3.367 -2.109
184 HA LEU 28 HA LEU 28 1.213 -0.875 -2.011
185 HB2 LEU 28 1HB LEU 28 0.229 -2.557 -0.723
186 HB3 LEU 28 2HB LEU 28 1.743 -2.941 0.094
187 HG LEU 28 HG LEU 28 1.548 -0.670 1.213
188 HD11 LEU 28 1HD1 LEU 28 -0.414 0.537 1.147
189 HD12 LEU 28 2HD1 LEU 28 -1.364 -0.834 0.576
190 HD13 LEU 28 3HD1 LEU 28 -0.267 -0.003 -0.526
191 HD21 LEU 28 3HD2 LEU 28 -0.101 -3.078 1.707
192 HD22 LEU 28 1HD2 LEU 28 -0.498 -1.629 2.630
193 HD23 LEU 28 2HD2 LEU 28 1.126 -2.313 2.718
194 H ARG 29 H ARG 29 4.020 -1.995 -0.123
195 HA ARG 29 HA ARG 29 4.560 0.272 1.325
196 HB2 ARG 29 1HB ARG 29 6.335 -1.836 0.143
197 HB3 ARG 29 2HB ARG 29 7.041 -0.468 0.992
198 HG2 ARG 29 1HG ARG 29 5.297 -1.167 2.845
199 HG3 ARG 29 2HG ARG 29 5.436 -2.731 2.039
200 HD2 ARG 29 1HD ARG 29 8.021 -2.168 2.227
201 HD3 ARG 29 2HD ARG 29 7.455 -1.194 3.583
202 HE ARG 29 HE ARG 29 7.532 -4.074 3.418
203 HH11 ARG 29 1HH1 ARG 29 6.166 -1.300 5.017
204 HH12 ARG 29 2HH1 ARG 29 5.758 -2.170 6.459
205 HH21 ARG 29 1HH2 ARG 29 7.000 -5.230 5.311
206 HH22 ARG 29 2HH2 ARG 29 6.234 -4.404 6.626
207 H ILE 30 H ILE 30 5.626 -0.463 -1.981
208 HA ILE 30 HA ILE 30 7.119 1.893 -2.371
209 HB ILE 30 HB ILE 30 5.700 0.250 -4.471
210 HG12 ILE 30 1HG1 ILE 30 8.605 -0.010 -3.778
211 HG13 ILE 30 2HG1 ILE 30 7.402 -0.862 -2.815
212 HG21 ILE 30 1HG2 ILE 30 6.367 2.335 -5.402
213 HG22 ILE 30 2HG2 ILE 30 7.947 2.246 -4.624
214 HG23 ILE 30 3HG2 ILE 30 7.542 1.131 -5.929
215 HD11 ILE 30 3HD1 ILE 30 8.251 -1.300 -5.620
216 HD12 ILE 30 1HD1 ILE 30 7.899 -2.466 -4.345
217 HD13 ILE 30 2HD1 ILE 30 6.578 -1.655 -5.188
218 H HIS 31 H HIS 31 3.747 1.335 -2.267
219 HA HIS 31 HA HIS 31 3.101 3.740 -3.781
220 HB2 HIS 31 1HB HIS 31 1.477 2.212 -4.301
221 HB3 HIS 31 2HB HIS 31 1.574 1.414 -2.734
222 HD1 HIS 31 HD1 HIS 31 -0.352 3.900 -4.622
223 HD2 HIS 31 HD2 HIS 31 0.116 2.783 -0.647
224 HE1 HIS 31 HE1 HIS 31 -2.297 4.926 -3.401
225 H GLN 32 H GLN 32 2.285 2.454 -0.551
226 HA GLN 32 HA GLN 32 1.242 4.779 0.526
227 HB2 GLN 32 1HB GLN 32 1.398 3.755 2.618
228 HB3 GLN 32 2HB GLN 32 1.329 2.395 1.505
229 HG2 GLN 32 1HG GLN 32 3.669 2.016 1.700
230 HG3 GLN 32 2HG GLN 32 3.895 3.518 2.593
231 HE21 GLN 32 1HE2 GLN 32 2.953 0.213 2.747
232 HE22 GLN 32 2HE2 GLN 32 2.763 0.120 4.461
233 H LYS 33 H LYS 33 4.581 3.805 0.131
234 HA LYS 33 HA LYS 33 5.753 5.738 1.821
235 HB2 LYS 33 1HB LYS 33 7.827 5.180 0.777
236 HB3 LYS 33 2HB LYS 33 6.890 3.697 0.897
237 HG2 LYS 33 1HG LYS 33 6.413 3.683 -1.401
238 HG3 LYS 33 2HG LYS 33 6.922 5.362 -1.599
239 HD2 LYS 33 1HD LYS 33 8.756 3.093 -0.830
240 HD3 LYS 33 2HD LYS 33 8.565 3.716 -2.470
241 HE2 LYS 33 1HE LYS 33 9.206 5.980 -1.537
242 HE3 LYS 33 2HE LYS 33 9.666 5.139 -0.058
243 HZ1 LYS 33 3HZ LYS 33 11.398 5.595 -1.945
244 HZ2 LYS 33 1HZ LYS 33 10.754 4.175 -2.601
245 HZ3 LYS 33 2HZ LYS 33 11.444 4.155 -1.058
246 H CYS 34 H CYS 34 4.300 5.962 -1.273
247 HA CYS 34 HA CYS 34 5.697 8.281 -2.185
248 HB2 CYS 34 1HB CYS 34 4.497 6.669 -3.680
249 HB3 CYS 34 2HB CYS 34 2.976 7.287 -3.049
250 HG CYS 34 HG CYS 34 2.759 9.068 -4.872
251 H HIS 35 H HIS 35 2.729 7.696 -0.390
252 HA HIS 35 HA HIS 35 1.386 10.030 -0.459
253 HB2 HIS 35 1HB HIS 35 2.033 8.308 1.929
254 HB3 HIS 35 2HB HIS 35 0.937 9.682 2.034
255 HD1 HIS 35 HD1 HIS 35 -0.780 9.379 -0.401
256 HD2 HIS 35 HD2 HIS 35 0.431 6.134 1.894
257 HE1 HIS 35 HE1 HIS 35 -2.455 7.563 -0.868
258 H THR 36 H THR 36 4.315 9.444 1.454
259 HA THR 36 HA THR 36 4.628 11.635 2.954
260 HB THR 36 HB THR 36 7.049 11.584 2.544
261 HG1 THR 36 HG1 THR 36 7.637 11.079 0.579
262 HG21 THR 36 3HG2 THR 36 6.999 8.810 2.549
263 HG22 THR 36 1HG2 THR 36 5.421 9.268 3.190
264 HG23 THR 36 2HG2 THR 36 6.893 9.861 3.961
265 H GLY 37 H GLY 37 4.231 13.717 2.607
266 HA2 GLY 37 1HA GLY 37 5.229 15.707 1.473
267 HA3 GLY 37 2HA GLY 37 4.941 14.846 -0.031
268 H GLU 38 H GLU 38 2.567 14.149 -0.313
269 HA GLU 38 HA GLU 38 0.959 16.545 0.050
270 HB2 GLU 38 1HB GLU 38 0.799 14.122 -1.685
271 HB3 GLU 38 2HB GLU 38 -0.679 15.014 -1.355
272 HG2 GLU 38 1HG GLU 38 0.377 17.054 -2.220
273 HG3 GLU 38 2HG GLU 38 1.828 16.126 -2.594
274 H ARG 39 H ARG 39 -1.405 16.226 0.569
275 HA ARG 39 HA ARG 39 -1.820 14.091 2.543
276 HB2 ARG 39 1HB ARG 39 -1.201 16.491 3.451
277 HB3 ARG 39 2HB ARG 39 -2.894 16.822 3.108
278 HG2 ARG 39 1HG ARG 39 -2.238 14.385 4.672
279 HG3 ARG 39 2HG ARG 39 -2.094 15.955 5.465
280 HD2 ARG 39 1HD ARG 39 -4.422 16.460 4.756
281 HD3 ARG 39 2HD ARG 39 -4.542 14.819 4.122
282 HE ARG 39 HE ARG 39 -4.815 14.052 6.261
283 HH11 ARG 39 1HH1 ARG 39 -3.580 17.305 6.365
284 HH12 ARG 39 2HH1 ARG 39 -3.771 17.462 8.080
285 HH21 ARG 39 1HH2 ARG 39 -5.071 14.246 8.519
286 HH22 ARG 39 2HH2 ARG 39 -4.618 15.721 9.304
287 H HIS 40 H HIS 40 -3.738 13.103 2.381
288 HA HIS 40 HA HIS 40 -6.062 14.447 1.333
289 HB2 HIS 40 1HB HIS 40 -5.272 13.903 -0.798
290 HB3 HIS 40 2HB HIS 40 -4.588 12.372 -0.259
291 HD2 HIS 40 HD2 HIS 40 -6.049 10.341 -1.251
292 HE1 HIS 40 HE1 HIS 40 -9.849 12.227 -1.202
293 HE2 HIS 40 HE2 HIS 40 -8.589 10.098 -1.676
294 H SER 41 H SER 41 -7.583 13.840 2.713
295 HA SER 41 HA SER 41 -8.377 11.156 3.051
296 HB2 SER 41 1HB SER 41 -6.410 10.944 4.458
297 HB3 SER 41 2HB SER 41 -6.868 12.380 5.373
298 HG SER 41 HG SER 41 -8.807 11.187 5.955
299 H GLY 42 H GLY 42 -10.384 10.998 4.010
300 HA2 GLY 42 1HA GLY 42 -11.470 13.263 5.472
301 HA3 GLY 42 2HA GLY 42 -12.202 12.956 3.904
302 HA PRO 43 HA PRO 43 -14.991 10.212 5.902
303 HB2 PRO 43 1HB PRO 43 -15.758 8.732 3.760
304 HB3 PRO 43 2HB PRO 43 -16.292 10.397 4.017
305 HG2 PRO 43 1HG PRO 43 -14.109 9.359 2.251
306 HG3 PRO 43 2HG PRO 43 -15.328 10.601 1.911
307 HD2 PRO 43 1HD PRO 43 -12.781 11.209 2.598
308 HD3 PRO 43 2HD PRO 43 -14.160 12.235 3.041
309 H SER 44 H SER 44 -14.479 8.551 7.168
310 HA SER 44 HA SER 44 -12.318 6.781 6.557
311 HB2 SER 44 1HB SER 44 -14.345 6.792 8.803
312 HB3 SER 44 2HB SER 44 -13.000 5.656 8.701
313 HG SER 44 HG SER 44 -12.406 7.415 9.972
314 H SER 45 H SER 45 -12.610 4.364 6.799
315 HA SER 45 HA SER 45 -15.056 3.495 5.401
316 HB2 SER 45 1HB SER 45 -12.181 2.773 4.908
317 HB3 SER 45 2HB SER 45 -13.471 1.658 4.460
318 HG SER 45 HG SER 45 -14.368 3.357 3.195
319 H GLY 46 H GLY 46 -12.304 2.235 7.296
320 HA2 GLY 46 1HA GLY 46 -12.289 0.824 9.120
321 HA3 GLY 46 2HA GLY 46 -14.036 0.997 9.206
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -22.161 5.633 6.888
2 HA2 GLY 1 1HA GLY 1 -22.952 3.091 7.803
3 HA3 GLY 1 2HA GLY 1 -23.475 3.844 6.304
4 H SER 2 H SER 2 -21.049 1.791 7.792
5 HA SER 2 HA SER 2 -19.499 1.260 5.516
6 HB2 SER 2 1HB SER 2 -18.791 -0.792 6.733
7 HB3 SER 2 2HB SER 2 -18.720 0.655 7.737
8 HG SER 2 HG SER 2 -20.818 -1.258 7.719
9 H SER 3 H SER 3 -19.508 -0.464 4.048
10 HA SER 3 HA SER 3 -21.636 -2.384 3.998
11 HB2 SER 3 1HB SER 3 -22.843 -1.637 2.109
12 HB3 SER 3 2HB SER 3 -22.654 -0.199 3.111
13 HG SER 3 HG SER 3 -21.577 -0.792 0.636
14 H GLY 4 H GLY 4 -21.275 -4.050 2.522
15 HA2 GLY 4 1HA GLY 4 -18.750 -4.841 1.950
16 HA3 GLY 4 2HA GLY 4 -20.124 -5.307 0.959
17 H SER 5 H SER 5 -17.303 -4.748 0.246
18 HA SER 5 HA SER 5 -17.460 -2.316 -1.334
19 HB2 SER 5 1HB SER 5 -15.237 -4.362 -1.120
20 HB3 SER 5 2HB SER 5 -15.124 -2.796 -1.922
21 HG SER 5 HG SER 5 -14.579 -2.061 -0.040
22 H SER 6 H SER 6 -18.804 -2.565 -3.037
23 HA SER 6 HA SER 6 -18.809 -4.990 -4.608
24 HB2 SER 6 1HB SER 6 -20.352 -2.412 -4.700
25 HB3 SER 6 2HB SER 6 -20.420 -3.544 -6.050
26 HG SER 6 HG SER 6 -22.009 -3.711 -4.186
27 H GLY 7 H GLY 7 -17.217 -5.353 -6.006
28 HA2 GLY 7 1HA GLY 7 -16.636 -4.378 -8.337
29 HA3 GLY 7 2HA GLY 7 -15.975 -3.065 -7.373
30 H THR 8 H THR 8 -13.964 -3.609 -8.482
31 HA THR 8 HA THR 8 -12.688 -6.120 -7.946
32 HB THR 8 HB THR 8 -10.650 -4.991 -8.897
33 HG1 THR 8 HG1 THR 8 -10.934 -2.854 -8.524
34 HG21 THR 8 3HG2 THR 8 -12.359 -4.366 -11.060
35 HG22 THR 8 1HG2 THR 8 -13.097 -5.709 -10.189
36 HG23 THR 8 2HG2 THR 8 -11.445 -5.849 -10.792
37 H GLY 9 H GLY 9 -12.446 -6.459 -5.770
38 HA2 GLY 9 1HA GLY 9 -10.259 -5.138 -4.490
39 HA3 GLY 9 2HA GLY 9 -11.799 -4.657 -3.793
40 H GLU 10 H GLU 10 -10.112 -7.641 -4.782
41 HA GLU 10 HA GLU 10 -11.071 -8.871 -2.282
42 HB2 GLU 10 1HB GLU 10 -10.841 -10.015 -5.051
43 HB3 GLU 10 2HB GLU 10 -10.807 -11.062 -3.639
44 HG2 GLU 10 1HG GLU 10 -12.995 -10.195 -2.955
45 HG3 GLU 10 2HG GLU 10 -13.031 -9.181 -4.397
46 H LYS 11 H LYS 11 -8.711 -7.458 -2.312
47 HA LYS 11 HA LYS 11 -6.621 -9.526 -2.419
48 HB2 LYS 11 1HB LYS 11 -6.617 -6.576 -2.803
49 HB3 LYS 11 2HB LYS 11 -5.191 -7.295 -2.066
50 HG2 LYS 11 1HG LYS 11 -4.669 -7.266 -4.319
51 HG3 LYS 11 2HG LYS 11 -5.241 -8.916 -4.064
52 HD2 LYS 11 1HD LYS 11 -6.378 -8.327 -5.981
53 HD3 LYS 11 2HD LYS 11 -7.556 -7.910 -4.735
54 HE2 LYS 11 1HE LYS 11 -7.443 -6.110 -6.318
55 HE3 LYS 11 2HE LYS 11 -6.719 -5.574 -4.803
56 HZ1 LYS 11 3HZ LYS 11 -4.710 -6.701 -6.394
57 HZ2 LYS 11 1HZ LYS 11 -4.874 -5.092 -5.896
58 HZ3 LYS 11 2HZ LYS 11 -5.570 -5.602 -7.350
59 HA PRO 12 HA PRO 12 -6.418 -9.621 1.977
60 HB2 PRO 12 1HB PRO 12 -3.867 -10.501 2.276
61 HB3 PRO 12 2HB PRO 12 -5.185 -11.544 1.729
62 HG2 PRO 12 1HG PRO 12 -3.084 -10.145 0.120
63 HG3 PRO 12 2HG PRO 12 -3.703 -11.799 -0.045
64 HD2 PRO 12 1HD PRO 12 -4.513 -9.773 -1.649
65 HD3 PRO 12 2HD PRO 12 -5.582 -11.115 -1.192
66 H TYR 13 H TYR 13 -4.642 -7.482 0.064
67 HA TYR 13 HA TYR 13 -3.620 -6.083 2.448
68 HB2 TYR 13 1HB TYR 13 -2.542 -5.904 -0.372
69 HB3 TYR 13 2HB TYR 13 -1.867 -5.134 1.060
70 HD1 TYR 13 HD1 TYR 13 -0.704 -6.473 2.760
71 HD2 TYR 13 HD2 TYR 13 -2.160 -8.234 -0.829
72 HE1 TYR 13 HE1 TYR 13 0.708 -8.447 3.163
73 HE2 TYR 13 HE2 TYR 13 -0.753 -10.213 -0.436
74 HH TYR 13 HH TYR 13 0.793 -10.809 2.533
75 H LYS 14 H LYS 14 -3.831 -3.824 2.534
76 HA LYS 14 HA LYS 14 -5.137 -2.340 0.471
77 HB2 LYS 14 1HB LYS 14 -7.046 -3.613 1.455
78 HB3 LYS 14 2HB LYS 14 -6.716 -2.840 3.000
79 HG2 LYS 14 1HG LYS 14 -7.045 -0.630 1.807
80 HG3 LYS 14 2HG LYS 14 -7.687 -1.571 0.458
81 HD2 LYS 14 1HD LYS 14 -9.573 -0.943 1.708
82 HD3 LYS 14 2HD LYS 14 -9.268 -2.621 2.164
83 HE2 LYS 14 1HE LYS 14 -8.134 -1.874 4.188
84 HE3 LYS 14 2HE LYS 14 -8.387 -0.192 3.724
85 HZ1 LYS 14 3HZ LYS 14 -10.003 -1.161 5.379
86 HZ2 LYS 14 1HZ LYS 14 -10.635 -2.079 4.105
87 HZ3 LYS 14 2HZ LYS 14 -10.689 -0.390 4.038
88 H CYS 15 H CYS 15 -4.443 -0.310 0.615
89 HA CYS 15 HA CYS 15 -2.811 0.559 2.755
90 HB2 CYS 15 1HB CYS 15 -2.334 1.504 0.650
91 HB3 CYS 15 2HB CYS 15 -4.016 1.946 0.371
92 H SER 16 H SER 16 -3.162 2.153 4.319
93 HA SER 16 HA SER 16 -5.978 2.467 5.076
94 HB2 SER 16 1HB SER 16 -5.107 3.017 7.322
95 HB3 SER 16 2HB SER 16 -4.531 1.446 6.767
96 HG SER 16 HG SER 16 -3.133 3.854 7.079
97 H ASP 17 H ASP 17 -3.126 4.244 4.182
98 HA ASP 17 HA ASP 17 -3.711 6.789 5.094
99 HB2 ASP 17 1HB ASP 17 -2.415 5.994 2.479
100 HB3 ASP 17 2HB ASP 17 -2.363 7.609 3.180
101 H CYS 18 H CYS 18 -4.566 5.422 1.912
102 HA CYS 18 HA CYS 18 -6.680 7.462 1.708
103 HB2 CYS 18 1HB CYS 18 -6.560 7.120 -0.734
104 HB3 CYS 18 2HB CYS 18 -5.019 7.649 -0.066
105 H GLY 19 H GLY 19 -5.932 4.063 0.976
106 HA2 GLY 19 1HA GLY 19 -7.618 2.445 1.831
107 HA3 GLY 19 2HA GLY 19 -8.831 3.510 1.136
108 H LYS 20 H LYS 20 -5.751 2.420 -0.241
109 HA LYS 20 HA LYS 20 -7.197 1.520 -2.613
110 HB2 LYS 20 1HB LYS 20 -4.408 2.355 -2.021
111 HB3 LYS 20 2HB LYS 20 -4.627 1.159 -3.292
112 HG2 LYS 20 1HG LYS 20 -6.356 3.558 -3.389
113 HG3 LYS 20 2HG LYS 20 -4.643 3.776 -3.756
114 HD2 LYS 20 1HD LYS 20 -5.390 3.263 -5.845
115 HD3 LYS 20 2HD LYS 20 -5.089 1.627 -5.255
116 HE2 LYS 20 1HE LYS 20 -7.249 1.701 -6.317
117 HE3 LYS 20 2HE LYS 20 -7.465 1.478 -4.582
118 HZ1 LYS 20 3HZ LYS 20 -7.948 3.835 -4.373
119 HZ2 LYS 20 1HZ LYS 20 -9.013 3.107 -5.468
120 HZ3 LYS 20 2HZ LYS 20 -7.732 4.054 -6.037
121 H SER 21 H SER 21 -6.254 -0.491 -3.697
122 HA SER 21 HA SER 21 -5.798 -2.566 -1.653
123 HB2 SER 21 1HB SER 21 -7.507 -2.616 -4.134
124 HB3 SER 21 2HB SER 21 -6.942 -4.103 -3.373
125 HG SER 21 HG SER 21 -7.881 -2.937 -1.380
126 H PHE 22 H PHE 22 -4.312 -4.171 -2.090
127 HA PHE 22 HA PHE 22 -2.871 -4.068 -4.633
128 HB2 PHE 22 1HB PHE 22 -1.415 -4.056 -1.987
129 HB3 PHE 22 2HB PHE 22 -0.712 -3.927 -3.596
130 HD1 PHE 22 HD1 PHE 22 -3.111 -2.176 -1.347
131 HD2 PHE 22 HD2 PHE 22 -0.189 -1.843 -4.425
132 HE1 PHE 22 HE1 PHE 22 -3.240 0.277 -1.200
133 HE2 PHE 22 HE2 PHE 22 -0.312 0.610 -4.281
134 HZ PHE 22 HZ PHE 22 -1.838 1.673 -2.666
135 H THR 23 H THR 23 -1.803 -5.985 -5.191
136 HA THR 23 HA THR 23 -2.887 -8.347 -3.901
137 HB THR 23 HB THR 23 -1.067 -8.217 -6.311
138 HG1 THR 23 HG1 THR 23 -3.162 -8.495 -7.426
139 HG21 THR 23 3HG2 THR 23 -1.226 -10.441 -6.378
140 HG22 THR 23 1HG2 THR 23 -2.982 -10.372 -6.240
141 HG23 THR 23 2HG2 THR 23 -1.982 -10.381 -4.787
142 H TRP 24 H TRP 24 0.341 -7.111 -4.762
143 HA TRP 24 HA TRP 24 1.560 -9.092 -2.994
144 HB2 TRP 24 1HB TRP 24 2.662 -7.215 -5.076
145 HB3 TRP 24 2HB TRP 24 3.714 -8.060 -3.944
146 HD1 TRP 24 HD1 TRP 24 0.836 -9.135 -6.338
147 HE1 TRP 24 HE1 TRP 24 1.568 -11.304 -7.515
148 HE3 TRP 24 HE3 TRP 24 5.412 -9.745 -4.142
149 HZ2 TRP 24 HZ2 TRP 24 3.791 -13.043 -7.513
150 HZ3 TRP 24 HZ3 TRP 24 6.779 -11.688 -4.785
151 HH2 TRP 24 HH2 TRP 24 5.983 -13.302 -6.435
152 H LYS 25 H LYS 25 2.847 -8.559 -1.236
153 HA LYS 25 HA LYS 25 2.085 -6.250 0.217
154 HB2 LYS 25 1HB LYS 25 2.678 -8.221 1.434
155 HB3 LYS 25 2HB LYS 25 4.253 -8.303 0.656
156 HG2 LYS 25 1HG LYS 25 4.875 -7.419 2.649
157 HG3 LYS 25 2HG LYS 25 4.527 -5.923 1.778
158 HD2 LYS 25 1HD LYS 25 2.300 -7.240 3.244
159 HD3 LYS 25 2HD LYS 25 3.534 -6.403 4.188
160 HE2 LYS 25 1HE LYS 25 2.014 -5.170 1.896
161 HE3 LYS 25 2HE LYS 25 1.572 -4.988 3.593
162 HZ1 LYS 25 3HZ LYS 25 4.282 -4.348 3.315
163 HZ2 LYS 25 1HZ LYS 25 3.004 -3.328 3.749
164 HZ3 LYS 25 2HZ LYS 25 3.430 -3.504 2.122
165 H SER 26 H SER 26 5.244 -7.196 -1.148
166 HA SER 26 HA SER 26 6.751 -5.015 -0.572
167 HB2 SER 26 1HB SER 26 7.751 -6.835 -1.755
168 HB3 SER 26 2HB SER 26 6.668 -6.621 -3.131
169 HG SER 26 HG SER 26 7.685 -4.592 -3.493
170 H ARG 27 H ARG 27 4.431 -5.288 -3.236
171 HA ARG 27 HA ARG 27 4.916 -2.840 -4.472
172 HB2 ARG 27 1HB ARG 27 2.447 -4.546 -4.253
173 HB3 ARG 27 2HB ARG 27 2.440 -3.032 -5.147
174 HG2 ARG 27 1HG ARG 27 4.528 -4.077 -6.333
175 HG3 ARG 27 2HG ARG 27 3.825 -5.592 -5.761
176 HD2 ARG 27 1HD ARG 27 1.631 -4.659 -6.790
177 HD3 ARG 27 2HD ARG 27 2.711 -3.592 -7.687
178 HE ARG 27 HE ARG 27 3.523 -6.314 -7.882
179 HH11 ARG 27 1HH1 ARG 27 1.235 -3.992 -9.105
180 HH12 ARG 27 2HH1 ARG 27 1.022 -4.805 -10.619
181 HH21 ARG 27 1HH2 ARG 27 3.250 -7.394 -9.872
182 HH22 ARG 27 2HH2 ARG 27 2.168 -6.741 -11.054
183 H LEU 28 H LEU 28 2.600 -3.633 -1.892
184 HA LEU 28 HA LEU 28 1.318 -1.251 -1.558
185 HB2 LEU 28 1HB LEU 28 0.780 -3.201 -0.244
186 HB3 LEU 28 2HB LEU 28 2.336 -3.114 0.580
187 HG LEU 28 HG LEU 28 1.644 -1.021 1.654
188 HD11 LEU 28 1HD1 LEU 28 0.149 0.075 0.315
189 HD12 LEU 28 2HD1 LEU 28 -0.953 -0.654 1.483
190 HD13 LEU 28 3HD1 LEU 28 -0.730 -1.396 -0.101
191 HD21 LEU 28 3HD2 LEU 28 -0.292 -2.042 2.991
192 HD22 LEU 28 1HD2 LEU 28 1.250 -2.898 2.984
193 HD23 LEU 28 2HD2 LEU 28 -0.076 -3.460 1.964
194 H ARG 29 H ARG 29 4.431 -2.148 -0.081
195 HA ARG 29 HA ARG 29 4.989 0.068 1.399
196 HB2 ARG 29 1HB ARG 29 6.716 -1.762 -0.216
197 HB3 ARG 29 2HB ARG 29 7.441 -0.340 0.522
198 HG2 ARG 29 1HG ARG 29 6.405 -1.153 2.705
199 HG3 ARG 29 2HG ARG 29 6.134 -2.680 1.863
200 HD2 ARG 29 1HD ARG 29 8.846 -1.470 1.737
201 HD3 ARG 29 2HD ARG 29 8.341 -2.216 3.253
202 HE ARG 29 HE ARG 29 7.755 -4.139 1.501
203 HH11 ARG 29 1HH1 ARG 29 10.605 -2.176 1.875
204 HH12 ARG 29 2HH1 ARG 29 11.681 -3.391 1.269
205 HH21 ARG 29 1HH2 ARG 29 9.161 -5.747 0.701
206 HH22 ARG 29 2HH2 ARG 29 10.858 -5.422 0.600
207 H ILE 30 H ILE 30 5.774 -0.313 -2.059
208 HA ILE 30 HA ILE 30 6.881 2.155 -2.553
209 HB ILE 30 HB ILE 30 5.036 0.649 -4.411
210 HG12 ILE 30 1HG1 ILE 30 8.023 0.519 -4.530
211 HG13 ILE 30 2HG1 ILE 30 7.173 -0.471 -3.348
212 HG21 ILE 30 1HG2 ILE 30 5.924 1.884 -6.182
213 HG22 ILE 30 2HG2 ILE 30 5.649 3.084 -4.921
214 HG23 ILE 30 3HG2 ILE 30 7.276 2.473 -5.215
215 HD11 ILE 30 3HD1 ILE 30 5.785 -0.939 -5.674
216 HD12 ILE 30 1HD1 ILE 30 7.460 -0.819 -6.212
217 HD13 ILE 30 2HD1 ILE 30 7.016 -1.984 -4.964
218 H HIS 31 H HIS 31 3.494 1.312 -2.201
219 HA HIS 31 HA HIS 31 2.399 3.723 -3.184
220 HB2 HIS 31 1HB HIS 31 1.116 1.612 -2.837
221 HB3 HIS 31 2HB HIS 31 1.218 1.876 -1.099
222 HD1 HIS 31 HD1 HIS 31 -0.310 3.397 -4.200
223 HD2 HIS 31 HD2 HIS 31 -0.671 3.578 -0.065
224 HE1 HIS 31 HE1 HIS 31 -2.370 4.772 -3.764
225 H GLN 32 H GLN 32 3.032 2.642 0.153
226 HA GLN 32 HA GLN 32 2.204 4.914 1.494
227 HB2 GLN 32 1HB GLN 32 4.535 3.127 2.210
228 HB3 GLN 32 2HB GLN 32 3.700 4.216 3.309
229 HG2 GLN 32 1HG GLN 32 1.792 2.902 3.370
230 HG3 GLN 32 2HG GLN 32 2.202 2.067 1.872
231 HE21 GLN 32 1HE2 GLN 32 1.665 0.187 3.241
232 HE22 GLN 32 2HE2 GLN 32 2.924 -0.509 4.197
233 H LYS 33 H LYS 33 5.288 4.254 -0.081
234 HA LYS 33 HA LYS 33 6.815 6.359 0.839
235 HB2 LYS 33 1HB LYS 33 6.735 4.828 -1.721
236 HB3 LYS 33 2HB LYS 33 7.737 6.271 -1.644
237 HG2 LYS 33 1HG LYS 33 9.145 4.460 -1.117
238 HG3 LYS 33 2HG LYS 33 8.806 5.275 0.412
239 HD2 LYS 33 1HD LYS 33 6.902 3.570 0.667
240 HD3 LYS 33 2HD LYS 33 7.718 2.672 -0.616
241 HE2 LYS 33 1HE LYS 33 8.638 1.732 1.280
242 HE3 LYS 33 2HE LYS 33 9.823 2.975 0.882
243 HZ1 LYS 33 3HZ LYS 33 8.521 2.659 3.276
244 HZ2 LYS 33 1HZ LYS 33 7.772 3.999 2.566
245 HZ3 LYS 33 2HZ LYS 33 9.446 3.993 2.801
246 H CYS 34 H CYS 34 4.674 6.351 -2.010
247 HA CYS 34 HA CYS 34 5.051 9.011 -2.754
248 HB2 CYS 34 1HB CYS 34 3.258 8.728 -4.204
249 HB3 CYS 34 2HB CYS 34 3.786 7.069 -3.948
250 HG CYS 34 HG CYS 34 1.361 6.338 -3.514
251 H HIS 35 H HIS 35 2.665 7.581 -0.555
252 HA HIS 35 HA HIS 35 1.140 9.828 -0.011
253 HB2 HIS 35 1HB HIS 35 1.783 7.328 1.470
254 HB3 HIS 35 2HB HIS 35 1.035 8.638 2.379
255 HD1 HIS 35 HD1 HIS 35 -1.123 9.676 0.705
256 HD2 HIS 35 HD2 HIS 35 -0.157 5.635 0.689
257 HE1 HIS 35 HE1 HIS 35 -3.180 8.496 -0.134
258 H THR 36 H THR 36 4.217 8.817 1.390
259 HA THR 36 HA THR 36 4.270 11.068 3.215
260 HB THR 36 HB THR 36 6.557 10.211 3.794
261 HG1 THR 36 HG1 THR 36 6.712 7.878 2.916
262 HG21 THR 36 3HG2 THR 36 4.401 8.102 3.916
263 HG22 THR 36 1HG2 THR 36 4.482 9.503 4.984
264 HG23 THR 36 2HG2 THR 36 5.766 8.294 5.016
265 H GLY 37 H GLY 37 4.180 12.776 1.643
266 HA2 GLY 37 1HA GLY 37 6.824 13.302 0.445
267 HA3 GLY 37 2HA GLY 37 5.353 13.572 -0.477
268 H GLU 38 H GLU 38 3.688 14.836 1.176
269 HA GLU 38 HA GLU 38 4.406 17.468 1.114
270 HB2 GLU 38 1HB GLU 38 2.631 17.890 2.753
271 HB3 GLU 38 2HB GLU 38 2.120 16.726 1.539
272 HG2 GLU 38 1HG GLU 38 3.286 15.689 4.062
273 HG3 GLU 38 2HG GLU 38 1.657 16.360 4.107
274 H ARG 39 H ARG 39 5.313 15.084 3.467
275 HA ARG 39 HA ARG 39 6.012 16.626 5.649
276 HB2 ARG 39 1HB ARG 39 6.117 14.237 5.791
277 HB3 ARG 39 2HB ARG 39 7.325 14.157 4.515
278 HG2 ARG 39 1HG ARG 39 8.506 13.801 6.501
279 HG3 ARG 39 2HG ARG 39 8.833 15.481 6.071
280 HD2 ARG 39 1HD ARG 39 7.410 16.305 7.735
281 HD3 ARG 39 2HD ARG 39 6.591 14.755 7.924
282 HE ARG 39 HE ARG 39 9.049 15.588 9.174
283 HH11 ARG 39 1HH1 ARG 39 7.076 12.885 8.213
284 HH12 ARG 39 2HH1 ARG 39 7.768 11.800 9.373
285 HH21 ARG 39 1HH2 ARG 39 9.968 14.169 10.705
286 HH22 ARG 39 2HH2 ARG 39 9.413 12.531 10.790
287 H HIS 40 H HIS 40 7.862 17.717 6.300
288 HA HIS 40 HA HIS 40 9.406 18.877 4.141
289 HB2 HIS 40 1HB HIS 40 9.417 19.425 7.116
290 HB3 HIS 40 2HB HIS 40 10.334 20.339 5.922
291 HD2 HIS 40 HD2 HIS 40 8.946 22.355 4.694
292 HE1 HIS 40 HE1 HIS 40 5.127 21.413 6.283
293 HE2 HIS 40 HE2 HIS 40 6.454 23.024 4.873
294 H SER 41 H SER 41 11.056 17.702 3.396
295 HA SER 41 HA SER 41 12.497 15.834 5.005
296 HB2 SER 41 1HB SER 41 13.926 15.564 2.999
297 HB3 SER 41 2HB SER 41 12.210 15.448 2.611
298 HG SER 41 HG SER 41 12.337 17.683 1.978
299 H GLY 42 H GLY 42 13.439 16.915 6.721
300 HA2 GLY 42 1HA GLY 42 15.453 18.957 6.027
301 HA3 GLY 42 2HA GLY 42 14.663 18.824 7.591
302 HA PRO 43 HA PRO 43 17.989 15.291 7.184
303 HB2 PRO 43 1HB PRO 43 19.973 15.834 5.412
304 HB3 PRO 43 2HB PRO 43 18.517 14.931 4.977
305 HG2 PRO 43 1HG PRO 43 19.162 17.819 4.524
306 HG3 PRO 43 2HG PRO 43 18.406 16.655 3.420
307 HD2 PRO 43 1HD PRO 43 16.973 18.480 4.817
308 HD3 PRO 43 2HD PRO 43 16.334 16.876 4.405
309 H SER 44 H SER 44 19.507 15.335 8.735
310 HA SER 44 HA SER 44 20.581 17.912 9.545
311 HB2 SER 44 1HB SER 44 21.111 16.895 11.616
312 HB3 SER 44 2HB SER 44 19.569 16.182 11.143
313 HG SER 44 HG SER 44 22.088 15.028 11.318
314 H SER 45 H SER 45 22.791 18.342 9.837
315 HA SER 45 HA SER 45 24.485 17.363 7.810
316 HB2 SER 45 1HB SER 45 24.557 19.605 9.163
317 HB3 SER 45 2HB SER 45 25.578 18.687 10.271
318 HG SER 45 HG SER 45 26.210 19.776 7.897
319 H GLY 46 H GLY 46 25.574 15.520 7.711
320 HA2 GLY 46 1HA GLY 46 26.689 14.383 10.174
321 HA3 GLY 46 2HA GLY 46 25.628 13.374 9.201
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -15.070 12.077 4.472
2 HA2 GLY 1 1HA GLY 1 -13.651 9.627 3.641
3 HA3 GLY 1 2HA GLY 1 -15.388 9.617 3.907
4 H SER 2 H SER 2 -13.039 11.654 2.155
5 HA SER 2 HA SER 2 -14.970 12.074 0.032
6 HB2 SER 2 1HB SER 2 -13.610 13.968 0.755
7 HB3 SER 2 2HB SER 2 -12.134 13.082 0.371
8 HG SER 2 HG SER 2 -13.378 14.655 -1.227
9 H SER 3 H SER 3 -11.684 10.733 0.319
10 HA SER 3 HA SER 3 -11.436 9.859 -2.327
11 HB2 SER 3 1HB SER 3 -10.198 8.544 0.100
12 HB3 SER 3 2HB SER 3 -9.595 8.503 -1.556
13 HG SER 3 HG SER 3 -9.444 10.865 -1.338
14 H GLY 4 H GLY 4 -12.760 8.516 -3.354
15 HA2 GLY 4 1HA GLY 4 -13.968 6.295 -1.839
16 HA3 GLY 4 2HA GLY 4 -14.632 6.993 -3.309
17 H SER 5 H SER 5 -14.734 5.139 -4.509
18 HA SER 5 HA SER 5 -14.036 3.340 -5.727
19 HB2 SER 5 1HB SER 5 -11.801 5.327 -6.053
20 HB3 SER 5 2HB SER 5 -11.734 3.756 -6.851
21 HG SER 5 HG SER 5 -13.389 4.301 -8.112
22 H SER 6 H SER 6 -13.761 2.822 -3.079
23 HA SER 6 HA SER 6 -11.269 2.136 -2.090
24 HB2 SER 6 1HB SER 6 -13.940 0.785 -1.645
25 HB3 SER 6 2HB SER 6 -12.495 0.458 -0.689
26 HG SER 6 HG SER 6 -13.845 2.943 -0.940
27 H GLY 7 H GLY 7 -13.459 0.222 -4.119
28 HA2 GLY 7 1HA GLY 7 -12.313 -1.125 -5.863
29 HA3 GLY 7 2HA GLY 7 -11.217 -1.646 -4.592
30 H THR 8 H THR 8 -12.623 -3.436 -6.206
31 HA THR 8 HA THR 8 -14.576 -4.562 -4.306
32 HB THR 8 HB THR 8 -14.472 -5.070 -7.284
33 HG1 THR 8 HG1 THR 8 -16.116 -3.339 -5.729
34 HG21 THR 8 3HG2 THR 8 -16.137 -6.082 -5.040
35 HG22 THR 8 1HG2 THR 8 -15.590 -6.903 -6.501
36 HG23 THR 8 2HG2 THR 8 -16.940 -5.770 -6.579
37 H GLY 9 H GLY 9 -12.065 -5.381 -6.684
38 HA2 GLY 9 1HA GLY 9 -11.932 -8.126 -6.217
39 HA3 GLY 9 2HA GLY 9 -10.592 -7.138 -6.780
40 H GLU 10 H GLU 10 -11.772 -9.036 -4.265
41 HA GLU 10 HA GLU 10 -10.847 -8.038 -1.923
42 HB2 GLU 10 1HB GLU 10 -10.535 -10.286 -1.144
43 HB3 GLU 10 2HB GLU 10 -11.901 -10.279 -2.251
44 HG2 GLU 10 1HG GLU 10 -9.103 -11.121 -2.971
45 HG3 GLU 10 2HG GLU 10 -10.420 -12.217 -2.555
46 H LYS 11 H LYS 11 -8.889 -8.109 -0.750
47 HA LYS 11 HA LYS 11 -6.437 -8.825 -2.105
48 HB2 LYS 11 1HB LYS 11 -5.473 -6.721 -2.289
49 HB3 LYS 11 2HB LYS 11 -7.136 -6.410 -2.769
50 HG2 LYS 11 1HG LYS 11 -6.036 -5.932 -0.008
51 HG3 LYS 11 2HG LYS 11 -6.208 -4.695 -1.256
52 HD2 LYS 11 1HD LYS 11 -8.484 -6.351 -0.171
53 HD3 LYS 11 2HD LYS 11 -8.071 -4.732 0.397
54 HE2 LYS 11 1HE LYS 11 -8.424 -3.864 -1.874
55 HE3 LYS 11 2HE LYS 11 -8.869 -5.482 -2.415
56 HZ1 LYS 11 3HZ LYS 11 -10.488 -5.048 -0.275
57 HZ2 LYS 11 1HZ LYS 11 -10.936 -4.889 -1.899
58 HZ3 LYS 11 2HZ LYS 11 -10.438 -3.531 -1.022
59 HA PRO 12 HA PRO 12 -5.405 -9.767 2.082
60 HB2 PRO 12 1HB PRO 12 -2.743 -10.174 1.734
61 HB3 PRO 12 2HB PRO 12 -3.969 -11.333 1.207
62 HG2 PRO 12 1HG PRO 12 -2.493 -9.279 -0.393
63 HG3 PRO 12 2HG PRO 12 -2.870 -10.961 -0.808
64 HD2 PRO 12 1HD PRO 12 -4.300 -8.868 -1.762
65 HD3 PRO 12 2HD PRO 12 -5.030 -10.453 -1.434
66 H TYR 13 H TYR 13 -4.216 -7.069 0.343
67 HA TYR 13 HA TYR 13 -3.422 -5.795 2.865
68 HB2 TYR 13 1HB TYR 13 -1.888 -5.355 0.307
69 HB3 TYR 13 2HB TYR 13 -1.449 -4.850 1.935
70 HD1 TYR 13 HD1 TYR 13 -1.018 -6.748 3.652
71 HD2 TYR 13 HD2 TYR 13 -1.022 -7.331 -0.563
72 HE1 TYR 13 HE1 TYR 13 0.296 -8.807 3.942
73 HE2 TYR 13 HE2 TYR 13 0.291 -9.392 -0.285
74 HH TYR 13 HH TYR 13 1.780 -10.423 1.321
75 H LYS 14 H LYS 14 -4.350 -3.877 3.163
76 HA LYS 14 HA LYS 14 -5.312 -2.384 0.821
77 HB2 LYS 14 1HB LYS 14 -7.230 -3.549 1.769
78 HB3 LYS 14 2HB LYS 14 -6.858 -2.911 3.365
79 HG2 LYS 14 1HG LYS 14 -7.638 -0.820 2.867
80 HG3 LYS 14 2HG LYS 14 -7.323 -0.994 1.139
81 HD2 LYS 14 1HD LYS 14 -9.174 -2.771 1.182
82 HD3 LYS 14 2HD LYS 14 -9.599 -2.098 2.757
83 HE2 LYS 14 1HE LYS 14 -9.999 0.062 1.788
84 HE3 LYS 14 2HE LYS 14 -9.386 -0.476 0.225
85 HZ1 LYS 14 3HZ LYS 14 -11.979 -0.466 0.932
86 HZ2 LYS 14 1HZ LYS 14 -11.555 -2.070 1.264
87 HZ3 LYS 14 2HZ LYS 14 -11.323 -1.437 -0.288
88 H CYS 15 H CYS 15 -4.891 -0.254 0.858
89 HA CYS 15 HA CYS 15 -3.275 0.792 2.994
90 HB2 CYS 15 1HB CYS 15 -2.716 1.410 0.729
91 HB3 CYS 15 2HB CYS 15 -4.335 2.045 0.456
92 H SER 16 H SER 16 -4.190 1.435 4.829
93 HA SER 16 HA SER 16 -6.914 2.351 4.941
94 HB2 SER 16 1HB SER 16 -6.630 2.415 7.312
95 HB3 SER 16 2HB SER 16 -5.756 0.993 6.742
96 HG SER 16 HG SER 16 -4.753 3.444 7.684
97 H ASP 17 H ASP 17 -4.284 3.841 3.840
98 HA ASP 17 HA ASP 17 -4.559 6.382 5.201
99 HB2 ASP 17 1HB ASP 17 -2.398 5.320 4.181
100 HB3 ASP 17 2HB ASP 17 -2.993 6.005 2.671
101 H CYS 18 H CYS 18 -4.920 5.282 1.825
102 HA CYS 18 HA CYS 18 -6.781 7.523 1.392
103 HB2 CYS 18 1HB CYS 18 -6.255 7.234 -1.028
104 HB3 CYS 18 2HB CYS 18 -4.857 7.683 -0.057
105 H GLY 19 H GLY 19 -6.220 4.100 0.625
106 HA2 GLY 19 1HA GLY 19 -8.243 2.680 1.085
107 HA3 GLY 19 2HA GLY 19 -9.118 3.847 0.105
108 H LYS 20 H LYS 20 -5.889 2.599 -0.555
109 HA LYS 20 HA LYS 20 -6.859 1.623 -3.134
110 HB2 LYS 20 1HB LYS 20 -4.740 3.139 -2.671
111 HB3 LYS 20 2HB LYS 20 -3.970 1.586 -2.374
112 HG2 LYS 20 1HG LYS 20 -4.503 0.835 -4.592
113 HG3 LYS 20 2HG LYS 20 -5.445 2.295 -4.900
114 HD2 LYS 20 1HD LYS 20 -3.372 3.631 -4.575
115 HD3 LYS 20 2HD LYS 20 -2.470 2.121 -4.433
116 HE2 LYS 20 1HE LYS 20 -4.033 3.077 -6.827
117 HE3 LYS 20 2HE LYS 20 -2.279 2.971 -6.685
118 HZ1 LYS 20 3HZ LYS 20 -4.098 0.981 -7.488
119 HZ2 LYS 20 1HZ LYS 20 -3.311 0.460 -6.083
120 HZ3 LYS 20 2HZ LYS 20 -2.408 0.910 -7.441
121 H SER 21 H SER 21 -5.781 -0.419 -3.957
122 HA SER 21 HA SER 21 -5.583 -2.407 -1.791
123 HB2 SER 21 1HB SER 21 -6.826 -3.985 -3.072
124 HB3 SER 21 2HB SER 21 -7.740 -2.479 -3.138
125 HG SER 21 HG SER 21 -6.905 -3.896 -5.164
126 H PHE 22 H PHE 22 -4.012 -3.949 -1.959
127 HA PHE 22 HA PHE 22 -2.392 -4.044 -4.393
128 HB2 PHE 22 1HB PHE 22 -1.085 -3.816 -1.686
129 HB3 PHE 22 2HB PHE 22 -0.331 -3.690 -3.271
130 HD1 PHE 22 HD1 PHE 22 -2.793 -2.007 -1.057
131 HD2 PHE 22 HD2 PHE 22 0.000 -1.613 -4.244
132 HE1 PHE 22 HE1 PHE 22 -3.059 0.438 -0.983
133 HE2 PHE 22 HE2 PHE 22 -0.260 0.833 -4.174
134 HZ PHE 22 HZ PHE 22 -1.791 1.862 -2.542
135 H THR 23 H THR 23 -2.317 -6.097 -4.988
136 HA THR 23 HA THR 23 -2.939 -8.244 -3.217
137 HB THR 23 HB THR 23 -3.269 -8.077 -5.807
138 HG1 THR 23 HG1 THR 23 -2.832 -10.537 -5.761
139 HG21 THR 23 3HG2 THR 23 -1.566 -8.987 -7.161
140 HG22 THR 23 1HG2 THR 23 -0.632 -9.527 -5.766
141 HG23 THR 23 2HG2 THR 23 -0.753 -7.806 -6.134
142 H TRP 24 H TRP 24 0.039 -6.976 -4.622
143 HA TRP 24 HA TRP 24 1.592 -9.008 -3.192
144 HB2 TRP 24 1HB TRP 24 2.121 -7.222 -5.522
145 HB3 TRP 24 2HB TRP 24 3.490 -7.705 -4.524
146 HD1 TRP 24 HD1 TRP 24 0.953 -9.098 -7.005
147 HE1 TRP 24 HE1 TRP 24 1.700 -11.454 -7.722
148 HE3 TRP 24 HE3 TRP 24 4.798 -9.770 -3.704
149 HZ2 TRP 24 HZ2 TRP 24 3.659 -13.348 -6.985
150 HZ3 TRP 24 HZ3 TRP 24 6.058 -11.882 -3.775
151 HH2 TRP 24 HH2 TRP 24 5.498 -13.633 -5.382
152 H LYS 25 H LYS 25 3.171 -8.483 -1.690
153 HA LYS 25 HA LYS 25 2.665 -6.298 -0.011
154 HB2 LYS 25 1HB LYS 25 4.953 -8.230 -0.253
155 HB3 LYS 25 2HB LYS 25 5.019 -6.903 0.899
156 HG2 LYS 25 1HG LYS 25 3.387 -7.791 2.229
157 HG3 LYS 25 2HG LYS 25 2.619 -8.659 0.897
158 HD2 LYS 25 1HD LYS 25 4.043 -10.441 1.059
159 HD3 LYS 25 2HD LYS 25 5.372 -9.461 1.682
160 HE2 LYS 25 1HE LYS 25 2.897 -9.964 3.302
161 HE3 LYS 25 2HE LYS 25 4.231 -11.117 3.280
162 HZ1 LYS 25 3HZ LYS 25 4.465 -9.620 5.132
163 HZ2 LYS 25 1HZ LYS 25 4.385 -8.271 4.113
164 HZ3 LYS 25 2HZ LYS 25 5.706 -9.323 4.021
165 H SER 26 H SER 26 5.528 -6.854 -2.071
166 HA SER 26 HA SER 26 6.884 -4.541 -1.771
167 HB2 SER 26 1HB SER 26 7.459 -4.739 -4.264
168 HB3 SER 26 2HB SER 26 7.802 -6.141 -3.251
169 HG SER 26 HG SER 26 5.447 -6.645 -3.998
170 H ARG 27 H ARG 27 3.959 -4.972 -3.696
171 HA ARG 27 HA ARG 27 3.899 -2.481 -4.955
172 HB2 ARG 27 1HB ARG 27 1.617 -4.241 -4.043
173 HB3 ARG 27 2HB ARG 27 1.434 -2.854 -5.108
174 HG2 ARG 27 1HG ARG 27 3.381 -4.958 -5.880
175 HG3 ARG 27 2HG ARG 27 1.658 -5.308 -6.042
176 HD2 ARG 27 1HD ARG 27 2.430 -4.419 -8.122
177 HD3 ARG 27 2HD ARG 27 1.426 -3.196 -7.346
178 HE ARG 27 HE ARG 27 3.285 -1.852 -7.099
179 HH11 ARG 27 1HH1 ARG 27 4.232 -5.026 -8.170
180 HH12 ARG 27 2HH1 ARG 27 5.860 -4.559 -8.537
181 HH21 ARG 27 1HH2 ARG 27 5.425 -1.225 -7.577
182 HH22 ARG 27 2HH2 ARG 27 6.538 -2.397 -8.198
183 H LEU 28 H LEU 28 2.264 -3.480 -1.946
184 HA LEU 28 HA LEU 28 1.159 -1.033 -1.264
185 HB2 LEU 28 1HB LEU 28 0.629 -3.120 -0.122
186 HB3 LEU 28 2HB LEU 28 2.250 -3.166 0.567
187 HG LEU 28 HG LEU 28 1.712 -1.073 1.808
188 HD11 LEU 28 1HD1 LEU 28 -0.853 -1.449 0.360
189 HD12 LEU 28 2HD1 LEU 28 0.005 0.033 0.784
190 HD13 LEU 28 3HD1 LEU 28 -0.911 -0.838 2.014
191 HD21 LEU 28 3HD2 LEU 28 -0.214 -3.322 2.370
192 HD22 LEU 28 1HD2 LEU 28 0.451 -2.162 3.521
193 HD23 LEU 28 2HD2 LEU 28 1.503 -3.366 2.776
194 H ARG 29 H ARG 29 4.288 -2.369 -0.195
195 HA ARG 29 HA ARG 29 5.179 -0.277 1.348
196 HB2 ARG 29 1HB ARG 29 6.741 -2.092 -0.492
197 HB3 ARG 29 2HB ARG 29 7.494 -0.997 0.661
198 HG2 ARG 29 1HG ARG 29 6.756 -2.207 2.491
199 HG3 ARG 29 2HG ARG 29 5.467 -2.993 1.577
200 HD2 ARG 29 1HD ARG 29 7.200 -4.599 2.005
201 HD3 ARG 29 2HD ARG 29 7.199 -4.211 0.285
202 HE ARG 29 HE ARG 29 9.032 -2.570 1.698
203 HH11 ARG 29 1HH1 ARG 29 8.598 -5.791 0.451
204 HH12 ARG 29 2HH1 ARG 29 10.295 -6.086 0.260
205 HH21 ARG 29 1HH2 ARG 29 11.268 -2.946 1.452
206 HH22 ARG 29 2HH2 ARG 29 11.813 -4.468 0.830
207 H ILE 30 H ILE 30 5.509 -0.658 -2.167
208 HA ILE 30 HA ILE 30 6.969 1.700 -2.628
209 HB ILE 30 HB ILE 30 5.074 0.250 -4.481
210 HG12 ILE 30 1HG1 ILE 30 8.066 0.126 -4.611
211 HG13 ILE 30 2HG1 ILE 30 7.207 -0.884 -3.454
212 HG21 ILE 30 1HG2 ILE 30 5.521 2.595 -5.141
213 HG22 ILE 30 2HG2 ILE 30 7.244 2.224 -5.171
214 HG23 ILE 30 3HG2 ILE 30 6.148 1.416 -6.292
215 HD11 ILE 30 3HD1 ILE 30 7.278 -2.331 -5.183
216 HD12 ILE 30 1HD1 ILE 30 5.801 -1.478 -5.631
217 HD13 ILE 30 2HD1 ILE 30 7.332 -1.054 -6.398
218 H HIS 31 H HIS 31 3.582 1.126 -2.104
219 HA HIS 31 HA HIS 31 2.764 3.721 -3.079
220 HB2 HIS 31 1HB HIS 31 1.226 1.851 -3.307
221 HB3 HIS 31 2HB HIS 31 1.250 1.582 -1.567
222 HD1 HIS 31 HD1 HIS 31 -0.123 3.901 -4.174
223 HD2 HIS 31 HD2 HIS 31 -0.394 3.263 -0.078
224 HE1 HIS 31 HE1 HIS 31 -2.045 5.324 -3.398
225 H GLN 32 H GLN 32 3.578 2.232 -0.028
226 HA GLN 32 HA GLN 32 2.447 4.043 1.754
227 HB2 GLN 32 1HB GLN 32 4.760 2.176 1.837
228 HB3 GLN 32 2HB GLN 32 4.666 3.401 3.096
229 HG2 GLN 32 1HG GLN 32 2.462 2.612 3.732
230 HG3 GLN 32 2HG GLN 32 2.501 1.416 2.437
231 HE21 GLN 32 1HE2 GLN 32 3.102 -0.543 2.997
232 HE22 GLN 32 2HE2 GLN 32 4.061 -0.963 4.372
233 H LYS 33 H LYS 33 5.754 4.074 0.420
234 HA LYS 33 HA LYS 33 6.578 6.480 1.553
235 HB2 LYS 33 1HB LYS 33 8.292 6.535 -0.192
236 HB3 LYS 33 2HB LYS 33 8.116 4.914 0.466
237 HG2 LYS 33 1HG LYS 33 6.679 4.352 -1.490
238 HG3 LYS 33 2HG LYS 33 7.076 5.933 -2.167
239 HD2 LYS 33 1HD LYS 33 9.475 5.321 -2.074
240 HD3 LYS 33 2HD LYS 33 9.013 3.713 -1.510
241 HE2 LYS 33 1HE LYS 33 7.905 3.226 -3.556
242 HE3 LYS 33 2HE LYS 33 8.021 4.901 -4.093
243 HZ1 LYS 33 3HZ LYS 33 10.594 4.290 -3.708
244 HZ2 LYS 33 1HZ LYS 33 9.801 4.137 -5.195
245 HZ3 LYS 33 2HZ LYS 33 9.995 2.786 -4.196
246 H CYS 34 H CYS 34 5.133 5.901 -1.648
247 HA CYS 34 HA CYS 34 5.151 8.298 -2.831
248 HB2 CYS 34 1HB CYS 34 2.736 6.500 -2.551
249 HB3 CYS 34 2HB CYS 34 2.861 7.817 -3.712
250 HG CYS 34 HG CYS 34 3.989 6.440 -5.552
251 H HIS 35 H HIS 35 3.066 7.439 -0.111
252 HA HIS 35 HA HIS 35 1.580 9.833 -0.040
253 HB2 HIS 35 1HB HIS 35 2.152 7.653 1.932
254 HB3 HIS 35 2HB HIS 35 1.355 9.125 2.479
255 HD1 HIS 35 HD1 HIS 35 -0.601 9.666 0.248
256 HD2 HIS 35 HD2 HIS 35 0.142 5.855 1.727
257 HE1 HIS 35 HE1 HIS 35 -2.638 8.311 -0.333
258 H THR 36 H THR 36 4.340 8.806 1.974
259 HA THR 36 HA THR 36 4.661 11.284 3.275
260 HB THR 36 HB THR 36 6.883 10.464 3.942
261 HG1 THR 36 HG1 THR 36 6.363 8.624 1.878
262 HG21 THR 36 3HG2 THR 36 5.461 9.557 5.454
263 HG22 THR 36 1HG2 THR 36 5.928 8.049 4.667
264 HG23 THR 36 2HG2 THR 36 4.424 8.851 4.215
265 H GLY 37 H GLY 37 6.161 12.953 2.963
266 HA2 GLY 37 1HA GLY 37 7.867 14.097 1.792
267 HA3 GLY 37 2HA GLY 37 7.684 12.962 0.463
268 H GLU 38 H GLU 38 7.240 16.084 1.305
269 HA GLU 38 HA GLU 38 4.749 16.502 -0.139
270 HB2 GLU 38 1HB GLU 38 5.009 18.851 0.493
271 HB3 GLU 38 2HB GLU 38 5.160 17.801 1.896
272 HG2 GLU 38 1HG GLU 38 7.699 17.959 1.444
273 HG3 GLU 38 2HG GLU 38 7.269 19.369 0.478
274 H ARG 39 H ARG 39 6.634 15.383 -1.778
275 HA ARG 39 HA ARG 39 6.757 17.274 -3.896
276 HB2 ARG 39 1HB ARG 39 9.201 17.360 -4.154
277 HB3 ARG 39 2HB ARG 39 8.679 18.102 -2.648
278 HG2 ARG 39 1HG ARG 39 9.347 16.136 -1.408
279 HG3 ARG 39 2HG ARG 39 9.785 15.314 -2.906
280 HD2 ARG 39 1HD ARG 39 11.027 17.933 -2.131
281 HD3 ARG 39 2HD ARG 39 11.656 16.402 -1.523
282 HE ARG 39 HE ARG 39 11.560 15.993 -4.187
283 HH11 ARG 39 1HH1 ARG 39 12.898 18.539 -2.226
284 HH12 ARG 39 2HH1 ARG 39 14.170 18.909 -3.342
285 HH21 ARG 39 1HH2 ARG 39 13.230 16.470 -5.666
286 HH22 ARG 39 2HH2 ARG 39 14.357 17.732 -5.299
287 H HIS 40 H HIS 40 6.567 16.172 -5.734
288 HA HIS 40 HA HIS 40 7.545 13.393 -5.809
289 HB2 HIS 40 1HB HIS 40 5.056 14.421 -7.183
290 HB3 HIS 40 2HB HIS 40 5.618 12.753 -7.121
291 HD2 HIS 40 HD2 HIS 40 6.092 12.592 -3.851
292 HE1 HIS 40 HE1 HIS 40 1.976 13.607 -3.679
293 HE2 HIS 40 HE2 HIS 40 3.959 12.732 -2.395
294 H SER 41 H SER 41 6.351 15.951 -7.996
295 HA SER 41 HA SER 41 8.797 15.900 -9.514
296 HB2 SER 41 1HB SER 41 7.661 13.955 -10.478
297 HB3 SER 41 2HB SER 41 6.229 14.933 -10.797
298 HG SER 41 HG SER 41 8.648 15.851 -11.822
299 H GLY 42 H GLY 42 9.114 18.034 -9.586
300 HA2 GLY 42 1HA GLY 42 8.801 20.159 -10.495
301 HA3 GLY 42 2HA GLY 42 7.188 19.679 -11.001
302 HA PRO 43 HA PRO 43 6.802 22.606 -7.419
303 HB2 PRO 43 1HB PRO 43 4.909 24.163 -8.587
304 HB3 PRO 43 2HB PRO 43 6.642 24.425 -8.814
305 HG2 PRO 43 1HG PRO 43 4.685 23.043 -10.608
306 HG3 PRO 43 2HG PRO 43 5.975 24.184 -11.028
307 HD2 PRO 43 1HD PRO 43 6.244 21.506 -11.328
308 HD3 PRO 43 2HD PRO 43 7.612 22.564 -10.928
309 H SER 44 H SER 44 4.223 21.369 -9.544
310 HA SER 44 HA SER 44 2.778 20.471 -7.154
311 HB2 SER 44 1HB SER 44 1.776 22.310 -9.289
312 HB3 SER 44 2HB SER 44 0.651 21.161 -8.566
313 HG SER 44 HG SER 44 1.013 22.076 -6.576
314 H SER 45 H SER 45 0.859 19.034 -7.868
315 HA SER 45 HA SER 45 1.907 16.822 -9.251
316 HB2 SER 45 1HB SER 45 0.213 16.400 -7.637
317 HB3 SER 45 2HB SER 45 -0.899 17.538 -8.398
318 HG SER 45 HG SER 45 -1.393 16.090 -9.889
319 H GLY 46 H GLY 46 1.581 16.023 -11.299
320 HA2 GLY 46 1HA GLY 46 0.228 16.099 -13.365
321 HA3 GLY 46 2HA GLY 46 0.223 17.847 -13.188
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -10.438 5.179 -13.314
2 HA2 GLY 1 1HA GLY 1 -11.935 3.378 -13.506
3 HA3 GLY 1 2HA GLY 1 -10.531 2.775 -14.375
4 H SER 2 H SER 2 -9.948 0.799 -13.810
5 HA SER 2 HA SER 2 -9.659 -1.116 -12.615
6 HB2 SER 2 1HB SER 2 -9.261 0.981 -10.491
7 HB3 SER 2 2HB SER 2 -9.150 -0.737 -10.110
8 HG SER 2 HG SER 2 -7.257 -0.774 -11.005
9 H SER 3 H SER 3 -12.284 -0.531 -13.180
10 HA SER 3 HA SER 3 -13.630 -1.804 -10.921
11 HB2 SER 3 1HB SER 3 -13.915 0.817 -11.030
12 HB3 SER 3 2HB SER 3 -15.078 0.425 -12.297
13 HG SER 3 HG SER 3 -15.887 -1.142 -10.594
14 H GLY 4 H GLY 4 -14.328 -3.648 -11.781
15 HA2 GLY 4 1HA GLY 4 -16.104 -4.677 -13.078
16 HA3 GLY 4 2HA GLY 4 -15.782 -3.503 -14.345
17 H SER 5 H SER 5 -14.391 -6.272 -12.634
18 HA SER 5 HA SER 5 -13.205 -7.162 -15.147
19 HB2 SER 5 1HB SER 5 -11.407 -5.898 -14.069
20 HB3 SER 5 2HB SER 5 -11.610 -6.841 -12.592
21 HG SER 5 HG SER 5 -9.889 -7.514 -14.104
22 H SER 6 H SER 6 -13.760 -9.205 -15.450
23 HA SER 6 HA SER 6 -15.235 -10.818 -13.887
24 HB2 SER 6 1HB SER 6 -12.960 -11.776 -15.642
25 HB3 SER 6 2HB SER 6 -14.327 -12.751 -15.105
26 HG SER 6 HG SER 6 -15.411 -11.970 -16.712
27 H GLY 7 H GLY 7 -15.043 -11.952 -12.054
28 HA2 GLY 7 1HA GLY 7 -13.465 -13.497 -10.820
29 HA3 GLY 7 2HA GLY 7 -12.349 -12.141 -10.859
30 H THR 8 H THR 8 -12.545 -12.786 -8.459
31 HA THR 8 HA THR 8 -14.855 -11.489 -7.199
32 HB THR 8 HB THR 8 -12.718 -13.248 -5.979
33 HG1 THR 8 HG1 THR 8 -15.438 -13.932 -6.120
34 HG21 THR 8 3HG2 THR 8 -13.358 -12.108 -4.120
35 HG22 THR 8 1HG2 THR 8 -14.700 -13.250 -4.173
36 HG23 THR 8 2HG2 THR 8 -14.902 -11.621 -4.818
37 H GLY 9 H GLY 9 -11.304 -11.477 -7.160
38 HA2 GLY 9 1HA GLY 9 -9.947 -9.581 -6.923
39 HA3 GLY 9 2HA GLY 9 -11.355 -8.666 -6.404
40 H GLU 10 H GLU 10 -9.054 -11.149 -5.365
41 HA GLU 10 HA GLU 10 -9.728 -10.637 -2.572
42 HB2 GLU 10 1HB GLU 10 -9.291 -12.968 -3.657
43 HB3 GLU 10 2HB GLU 10 -7.595 -12.541 -3.478
44 HG2 GLU 10 1HG GLU 10 -8.328 -12.019 -1.008
45 HG3 GLU 10 2HG GLU 10 -9.632 -13.138 -1.401
46 H LYS 11 H LYS 11 -8.837 -8.775 -1.885
47 HA LYS 11 HA LYS 11 -5.936 -8.435 -2.283
48 HB2 LYS 11 1HB LYS 11 -8.184 -6.490 -2.452
49 HB3 LYS 11 2HB LYS 11 -6.665 -5.920 -1.773
50 HG2 LYS 11 1HG LYS 11 -6.293 -5.416 -3.949
51 HG3 LYS 11 2HG LYS 11 -5.689 -7.075 -3.949
52 HD2 LYS 11 1HD LYS 11 -8.001 -7.794 -4.652
53 HD3 LYS 11 2HD LYS 11 -8.377 -6.086 -4.886
54 HE2 LYS 11 1HE LYS 11 -6.001 -7.366 -6.197
55 HE3 LYS 11 2HE LYS 11 -7.606 -7.450 -6.921
56 HZ1 LYS 11 3HZ LYS 11 -6.292 -5.583 -7.767
57 HZ2 LYS 11 1HZ LYS 11 -6.194 -4.936 -6.206
58 HZ3 LYS 11 2HZ LYS 11 -7.693 -5.055 -6.980
59 HA PRO 12 HA PRO 12 -6.538 -8.974 2.228
60 HB2 PRO 12 1HB PRO 12 -4.115 -10.135 2.619
61 HB3 PRO 12 2HB PRO 12 -5.539 -11.039 2.094
62 HG2 PRO 12 1HG PRO 12 -3.263 -9.978 0.465
63 HG3 PRO 12 2HG PRO 12 -4.073 -11.552 0.364
64 HD2 PRO 12 1HD PRO 12 -4.611 -9.524 -1.347
65 HD3 PRO 12 2HD PRO 12 -5.839 -10.706 -0.851
66 H TYR 13 H TYR 13 -4.763 -6.978 0.300
67 HA TYR 13 HA TYR 13 -3.578 -5.623 2.627
68 HB2 TYR 13 1HB TYR 13 -2.304 -5.724 -0.111
69 HB3 TYR 13 2HB TYR 13 -1.622 -5.031 1.356
70 HD1 TYR 13 HD1 TYR 13 -1.751 -6.916 3.395
71 HD2 TYR 13 HD2 TYR 13 -1.265 -7.667 -0.765
72 HE1 TYR 13 HE1 TYR 13 -0.673 -9.065 3.915
73 HE2 TYR 13 HE2 TYR 13 -0.186 -9.818 -0.257
74 HH TYR 13 HH TYR 13 -0.411 -11.380 2.510
75 H LYS 14 H LYS 14 -4.516 -3.722 2.901
76 HA LYS 14 HA LYS 14 -5.203 -2.125 0.530
77 HB2 LYS 14 1HB LYS 14 -7.176 -3.308 1.756
78 HB3 LYS 14 2HB LYS 14 -6.937 -2.065 2.978
79 HG2 LYS 14 1HG LYS 14 -7.455 -0.335 1.452
80 HG3 LYS 14 2HG LYS 14 -7.374 -1.433 0.072
81 HD2 LYS 14 1HD LYS 14 -9.378 -2.513 0.686
82 HD3 LYS 14 2HD LYS 14 -9.357 -1.804 2.302
83 HE2 LYS 14 1HE LYS 14 -10.986 -0.590 1.127
84 HE3 LYS 14 2HE LYS 14 -9.564 0.451 1.141
85 HZ1 LYS 14 3HZ LYS 14 -10.961 -0.139 -1.055
86 HZ2 LYS 14 1HZ LYS 14 -9.767 -1.335 -1.130
87 HZ3 LYS 14 2HZ LYS 14 -9.326 0.296 -1.071
88 H CYS 15 H CYS 15 -4.459 -0.101 0.590
89 HA CYS 15 HA CYS 15 -2.798 0.789 2.694
90 HB2 CYS 15 1HB CYS 15 -2.347 1.589 0.492
91 HB3 CYS 15 2HB CYS 15 -3.986 2.204 0.308
92 H SER 16 H SER 16 -3.119 2.241 4.328
93 HA SER 16 HA SER 16 -5.904 2.763 5.031
94 HB2 SER 16 1HB SER 16 -4.508 1.746 6.754
95 HB3 SER 16 2HB SER 16 -3.357 3.077 6.639
96 HG SER 16 HG SER 16 -5.505 4.321 7.098
97 H ASP 17 H ASP 17 -3.060 4.396 3.947
98 HA ASP 17 HA ASP 17 -3.523 6.994 4.829
99 HB2 ASP 17 1HB ASP 17 -2.368 6.218 2.145
100 HB3 ASP 17 2HB ASP 17 -2.091 7.720 3.022
101 H CYS 18 H CYS 18 -4.448 5.581 1.685
102 HA CYS 18 HA CYS 18 -6.522 7.662 1.468
103 HB2 CYS 18 1HB CYS 18 -6.427 7.289 -0.968
104 HB3 CYS 18 2HB CYS 18 -4.866 7.784 -0.321
105 H GLY 19 H GLY 19 -5.850 4.239 0.764
106 HA2 GLY 19 1HA GLY 19 -7.577 2.681 1.676
107 HA3 GLY 19 2HA GLY 19 -8.760 3.749 0.935
108 H LYS 20 H LYS 20 -5.696 2.721 -0.477
109 HA LYS 20 HA LYS 20 -7.131 1.732 -2.802
110 HB2 LYS 20 1HB LYS 20 -5.075 3.196 -2.951
111 HB3 LYS 20 2HB LYS 20 -4.144 1.822 -2.371
112 HG2 LYS 20 1HG LYS 20 -4.606 0.562 -4.310
113 HG3 LYS 20 2HG LYS 20 -5.866 1.685 -4.827
114 HD2 LYS 20 1HD LYS 20 -4.153 3.430 -5.129
115 HD3 LYS 20 2HD LYS 20 -2.908 2.266 -4.668
116 HE2 LYS 20 1HE LYS 20 -2.936 2.356 -7.043
117 HE3 LYS 20 2HE LYS 20 -3.686 0.831 -6.575
118 HZ1 LYS 20 3HZ LYS 20 -5.512 1.407 -7.658
119 HZ2 LYS 20 1HZ LYS 20 -4.755 2.826 -8.185
120 HZ3 LYS 20 2HZ LYS 20 -5.661 2.830 -6.756
121 H SER 21 H SER 21 -6.898 -0.363 -3.655
122 HA SER 21 HA SER 21 -6.251 -2.383 -1.625
123 HB2 SER 21 1HB SER 21 -7.639 -3.913 -2.955
124 HB3 SER 21 2HB SER 21 -8.537 -2.454 -2.536
125 HG SER 21 HG SER 21 -8.911 -2.481 -4.623
126 H PHE 22 H PHE 22 -4.682 -3.863 -1.924
127 HA PHE 22 HA PHE 22 -3.379 -3.997 -4.556
128 HB2 PHE 22 1HB PHE 22 -1.875 -3.986 -1.935
129 HB3 PHE 22 2HB PHE 22 -1.192 -3.953 -3.558
130 HD1 PHE 22 HD1 PHE 22 -3.184 -1.999 -1.129
131 HD2 PHE 22 HD2 PHE 22 -0.837 -1.925 -4.679
132 HE1 PHE 22 HE1 PHE 22 -3.173 0.461 -1.067
133 HE2 PHE 22 HE2 PHE 22 -0.821 0.534 -4.622
134 HZ PHE 22 HZ PHE 22 -1.989 1.731 -2.814
135 H THR 23 H THR 23 -2.029 -5.949 -4.828
136 HA THR 23 HA THR 23 -3.263 -8.232 -3.443
137 HB THR 23 HB THR 23 -1.816 -8.215 -6.099
138 HG1 THR 23 HG1 THR 23 -4.165 -8.724 -6.707
139 HG21 THR 23 3HG2 THR 23 -3.650 -10.406 -5.480
140 HG22 THR 23 1HG2 THR 23 -2.249 -10.337 -4.412
141 HG23 THR 23 2HG2 THR 23 -2.023 -10.450 -6.157
142 H TRP 24 H TRP 24 -0.164 -6.940 -4.563
143 HA TRP 24 HA TRP 24 1.239 -8.983 -2.994
144 HB2 TRP 24 1HB TRP 24 2.083 -7.151 -5.224
145 HB3 TRP 24 2HB TRP 24 3.279 -7.924 -4.187
146 HD1 TRP 24 HD1 TRP 24 0.339 -8.977 -6.491
147 HE1 TRP 24 HE1 TRP 24 0.938 -11.247 -7.548
148 HE3 TRP 24 HE3 TRP 24 4.779 -9.835 -4.107
149 HZ2 TRP 24 HZ2 TRP 24 3.018 -13.149 -7.391
150 HZ3 TRP 24 HZ3 TRP 24 6.011 -11.903 -4.616
151 HH2 TRP 24 HH2 TRP 24 5.147 -13.525 -6.224
152 H LYS 25 H LYS 25 2.805 -8.426 -1.453
153 HA LYS 25 HA LYS 25 2.210 -6.070 0.050
154 HB2 LYS 25 1HB LYS 25 4.357 -8.173 0.362
155 HB3 LYS 25 2HB LYS 25 4.100 -6.862 1.505
156 HG2 LYS 25 1HG LYS 25 1.913 -7.682 2.046
157 HG3 LYS 25 2HG LYS 25 2.014 -8.908 0.779
158 HD2 LYS 25 1HD LYS 25 3.914 -8.757 3.115
159 HD3 LYS 25 2HD LYS 25 2.449 -9.743 3.108
160 HE2 LYS 25 1HE LYS 25 3.987 -11.288 2.406
161 HE3 LYS 25 2HE LYS 25 3.461 -10.642 0.853
162 HZ1 LYS 25 3HZ LYS 25 5.581 -10.189 0.458
163 HZ2 LYS 25 1HZ LYS 25 6.040 -10.576 2.039
164 HZ3 LYS 25 2HZ LYS 25 5.519 -9.010 1.670
165 H SER 26 H SER 26 5.060 -7.171 -1.772
166 HA SER 26 HA SER 26 6.816 -5.138 -1.334
167 HB2 SER 26 1HB SER 26 6.233 -6.562 -3.938
168 HB3 SER 26 2HB SER 26 7.637 -5.526 -3.680
169 HG SER 26 HG SER 26 8.554 -7.198 -2.824
170 H ARG 27 H ARG 27 4.140 -5.124 -3.662
171 HA ARG 27 HA ARG 27 4.658 -2.583 -4.753
172 HB2 ARG 27 1HB ARG 27 2.012 -4.024 -4.492
173 HB3 ARG 27 2HB ARG 27 2.338 -2.665 -5.559
174 HG2 ARG 27 1HG ARG 27 4.246 -4.284 -6.428
175 HG3 ARG 27 2HG ARG 27 3.138 -5.507 -5.802
176 HD2 ARG 27 1HD ARG 27 1.335 -4.561 -7.165
177 HD3 ARG 27 2HD ARG 27 2.450 -3.349 -7.795
178 HE ARG 27 HE ARG 27 3.254 -6.098 -8.201
179 HH11 ARG 27 1HH1 ARG 27 1.591 -3.327 -9.493
180 HH12 ARG 27 2HH1 ARG 27 1.724 -3.851 -11.139
181 HH21 ARG 27 1HH2 ARG 27 3.436 -6.800 -10.364
182 HH22 ARG 27 2HH2 ARG 27 2.772 -5.827 -11.633
183 H LEU 28 H LEU 28 2.394 -3.580 -2.191
184 HA LEU 28 HA LEU 28 1.238 -1.179 -1.572
185 HB2 LEU 28 1HB LEU 28 0.505 -3.141 -0.467
186 HB3 LEU 28 2HB LEU 28 2.102 -3.433 0.220
187 HG LEU 28 HG LEU 28 1.802 -1.413 1.636
188 HD11 LEU 28 1HD1 LEU 28 0.272 -0.052 0.558
189 HD12 LEU 28 2HD1 LEU 28 -0.685 -0.742 1.868
190 HD13 LEU 28 3HD1 LEU 28 -0.839 -1.382 0.232
191 HD21 LEU 28 3HD2 LEU 28 1.267 -3.734 2.393
192 HD22 LEU 28 1HD2 LEU 28 -0.419 -3.420 1.982
193 HD23 LEU 28 2HD2 LEU 28 0.375 -2.466 3.235
194 H ARG 29 H ARG 29 4.300 -2.434 -0.259
195 HA ARG 29 HA ARG 29 4.990 -0.449 1.480
196 HB2 ARG 29 1HB ARG 29 6.862 -1.797 -0.475
197 HB3 ARG 29 2HB ARG 29 7.334 -0.987 1.013
198 HG2 ARG 29 1HG ARG 29 5.789 -2.675 2.179
199 HG3 ARG 29 2HG ARG 29 5.873 -3.574 0.663
200 HD2 ARG 29 1HD ARG 29 7.639 -4.519 1.751
201 HD3 ARG 29 2HD ARG 29 8.466 -3.163 0.988
202 HE ARG 29 HE ARG 29 7.441 -2.642 3.641
203 HH11 ARG 29 1HH1 ARG 29 10.147 -3.696 1.721
204 HH12 ARG 29 2HH1 ARG 29 11.322 -3.330 2.941
205 HH21 ARG 29 1HH2 ARG 29 8.978 -2.156 5.254
206 HH22 ARG 29 2HH2 ARG 29 10.656 -2.455 4.950
207 H ILE 30 H ILE 30 5.675 -0.459 -2.016
208 HA ILE 30 HA ILE 30 6.924 2.025 -2.166
209 HB ILE 30 HB ILE 30 5.184 0.725 -4.265
210 HG12 ILE 30 1HG1 ILE 30 8.174 0.634 -4.252
211 HG13 ILE 30 2HG1 ILE 30 7.284 -0.479 -3.219
212 HG21 ILE 30 1HG2 ILE 30 6.070 2.170 -5.839
213 HG22 ILE 30 2HG2 ILE 30 5.843 3.225 -4.445
214 HG23 ILE 30 3HG2 ILE 30 7.447 2.597 -4.824
215 HD11 ILE 30 3HD1 ILE 30 7.692 -1.653 -5.198
216 HD12 ILE 30 1HD1 ILE 30 6.007 -1.145 -5.308
217 HD13 ILE 30 2HD1 ILE 30 7.251 -0.276 -6.207
218 H HIS 31 H HIS 31 3.490 1.234 -2.692
219 HA HIS 31 HA HIS 31 2.487 3.706 -3.292
220 HB2 HIS 31 1HB HIS 31 1.159 1.611 -3.216
221 HB3 HIS 31 2HB HIS 31 1.171 1.692 -1.457
222 HD1 HIS 31 HD1 HIS 31 -0.084 3.688 -4.428
223 HD2 HIS 31 HD2 HIS 31 -0.857 3.156 -0.381
224 HE1 HIS 31 HE1 HIS 31 -2.179 4.999 -3.966
225 H GLN 32 H GLN 32 3.164 2.407 -0.065
226 HA GLN 32 HA GLN 32 2.144 4.497 1.460
227 HB2 GLN 32 1HB GLN 32 4.511 2.700 1.999
228 HB3 GLN 32 2HB GLN 32 3.787 3.764 3.197
229 HG2 GLN 32 1HG GLN 32 1.875 2.496 3.368
230 HG3 GLN 32 2HG GLN 32 2.083 1.777 1.772
231 HE21 GLN 32 1HE2 GLN 32 1.528 -0.117 3.237
232 HE22 GLN 32 2HE2 GLN 32 2.866 -0.976 3.912
233 H LYS 33 H LYS 33 5.461 4.053 0.246
234 HA LYS 33 HA LYS 33 6.693 6.267 1.262
235 HB2 LYS 33 1HB LYS 33 6.988 5.088 -1.505
236 HB3 LYS 33 2HB LYS 33 8.099 6.261 -0.810
237 HG2 LYS 33 1HG LYS 33 8.670 4.699 0.962
238 HG3 LYS 33 2HG LYS 33 7.521 3.526 0.314
239 HD2 LYS 33 1HD LYS 33 8.812 3.164 -1.614
240 HD3 LYS 33 2HD LYS 33 9.767 4.625 -1.352
241 HE2 LYS 33 1HE LYS 33 11.097 2.695 -0.796
242 HE3 LYS 33 2HE LYS 33 10.723 3.585 0.679
243 HZ1 LYS 33 3HZ LYS 33 8.839 1.497 -0.010
244 HZ2 LYS 33 1HZ LYS 33 9.513 1.899 1.489
245 HZ3 LYS 33 2HZ LYS 33 10.388 0.951 0.396
246 H CYS 34 H CYS 34 4.574 6.121 -1.564
247 HA CYS 34 HA CYS 34 4.918 8.739 -2.474
248 HB2 CYS 34 1HB CYS 34 3.586 6.690 -3.464
249 HB3 CYS 34 2HB CYS 34 2.230 7.436 -2.629
250 HG CYS 34 HG CYS 34 2.460 8.043 -5.478
251 H HIS 35 H HIS 35 2.973 7.447 0.130
252 HA HIS 35 HA HIS 35 1.488 9.876 0.541
253 HB2 HIS 35 1HB HIS 35 1.765 7.321 2.117
254 HB3 HIS 35 2HB HIS 35 0.829 8.690 2.709
255 HD1 HIS 35 HD1 HIS 35 -1.011 9.535 0.726
256 HD2 HIS 35 HD2 HIS 35 0.203 5.562 0.806
257 HE1 HIS 35 HE1 HIS 35 -2.779 8.265 -0.534
258 H THR 36 H THR 36 4.034 10.676 0.472
259 HA THR 36 HA THR 36 4.614 11.330 3.282
260 HB THR 36 HB THR 36 7.034 11.346 2.742
261 HG1 THR 36 HG1 THR 36 6.033 10.491 0.246
262 HG21 THR 36 3HG2 THR 36 5.470 8.798 2.437
263 HG22 THR 36 1HG2 THR 36 6.329 9.401 3.854
264 HG23 THR 36 2HG2 THR 36 7.233 8.804 2.462
265 H GLY 37 H GLY 37 5.062 12.260 -0.115
266 HA2 GLY 37 1HA GLY 37 5.737 14.985 0.643
267 HA3 GLY 37 2HA GLY 37 5.669 14.341 -0.991
268 H GLU 38 H GLU 38 4.123 15.194 -2.195
269 HA GLU 38 HA GLU 38 2.121 16.887 -1.217
270 HB2 GLU 38 1HB GLU 38 1.217 16.874 -3.461
271 HB3 GLU 38 2HB GLU 38 2.972 16.919 -3.541
272 HG2 GLU 38 1HG GLU 38 2.299 15.402 -5.194
273 HG3 GLU 38 2HG GLU 38 2.894 14.416 -3.860
274 H ARG 39 H ARG 39 -0.238 16.590 -1.467
275 HA ARG 39 HA ARG 39 -1.408 14.020 -1.603
276 HB2 ARG 39 1HB ARG 39 -0.189 14.091 0.696
277 HB3 ARG 39 2HB ARG 39 -1.519 15.136 1.180
278 HG2 ARG 39 1HG ARG 39 -3.113 13.374 0.602
279 HG3 ARG 39 2HG ARG 39 -1.775 12.327 0.126
280 HD2 ARG 39 1HD ARG 39 -2.456 11.728 2.345
281 HD3 ARG 39 2HD ARG 39 -0.882 12.517 2.437
282 HE ARG 39 HE ARG 39 -3.154 14.258 2.841
283 HH11 ARG 39 1HH1 ARG 39 -0.767 12.198 4.318
284 HH12 ARG 39 2HH1 ARG 39 -0.893 12.948 5.874
285 HH21 ARG 39 1HH2 ARG 39 -3.329 15.254 4.886
286 HH22 ARG 39 2HH2 ARG 39 -2.351 14.686 6.197
287 H HIS 40 H HIS 40 -3.669 14.094 -1.564
288 HA HIS 40 HA HIS 40 -4.768 16.744 -1.978
289 HB2 HIS 40 1HB HIS 40 -5.233 14.549 -3.343
290 HB3 HIS 40 2HB HIS 40 -6.415 14.243 -2.074
291 HD2 HIS 40 HD2 HIS 40 -7.635 14.762 -4.984
292 HE1 HIS 40 HE1 HIS 40 -8.448 18.698 -3.624
293 HE2 HIS 40 HE2 HIS 40 -9.037 16.913 -5.300
294 H SER 41 H SER 41 -5.574 13.924 0.050
295 HA SER 41 HA SER 41 -6.232 15.612 2.277
296 HB2 SER 41 1HB SER 41 -8.297 15.733 0.852
297 HB3 SER 41 2HB SER 41 -8.478 13.991 1.057
298 HG SER 41 HG SER 41 -9.257 15.933 2.696
299 H GLY 42 H GLY 42 -5.334 14.541 3.902
300 HA2 GLY 42 1HA GLY 42 -5.656 11.603 3.977
301 HA3 GLY 42 2HA GLY 42 -4.175 12.408 4.475
302 HA PRO 43 HA PRO 43 -7.621 13.294 7.794
303 HB2 PRO 43 1HB PRO 43 -9.662 11.504 7.802
304 HB3 PRO 43 2HB PRO 43 -9.713 13.014 6.885
305 HG2 PRO 43 1HG PRO 43 -9.075 10.245 5.941
306 HG3 PRO 43 2HG PRO 43 -10.081 11.486 5.171
307 HD2 PRO 43 1HD PRO 43 -7.531 10.994 4.403
308 HD3 PRO 43 2HD PRO 43 -8.259 12.611 4.316
309 H SER 44 H SER 44 -6.677 12.654 9.618
310 HA SER 44 HA SER 44 -6.254 9.768 10.048
311 HB2 SER 44 1HB SER 44 -4.103 10.769 9.852
312 HB3 SER 44 2HB SER 44 -4.566 12.134 10.868
313 HG SER 44 HG SER 44 -4.092 11.000 12.569
314 H SER 45 H SER 45 -6.528 8.959 12.170
315 HA SER 45 HA SER 45 -8.739 10.024 13.555
316 HB2 SER 45 1HB SER 45 -8.278 7.647 13.631
317 HB3 SER 45 2HB SER 45 -6.713 7.936 14.391
318 HG SER 45 HG SER 45 -7.982 8.942 16.132
319 H GLY 46 H GLY 46 -8.755 11.796 14.762
320 HA2 GLY 46 1HA GLY 46 -8.087 12.759 16.902
321 HA3 GLY 46 2HA GLY 46 -6.434 12.301 16.517
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -7.441 15.483 4.650
2 HA2 GLY 1 1HA GLY 1 -9.162 13.175 5.142
3 HA3 GLY 1 2HA GLY 1 -9.610 14.644 4.287
4 H SER 2 H SER 2 -10.269 12.135 3.316
5 HA SER 2 HA SER 2 -8.712 12.107 0.833
6 HB2 SER 2 1HB SER 2 -7.764 10.260 1.999
7 HB3 SER 2 2HB SER 2 -9.343 9.711 2.559
8 HG SER 2 HG SER 2 -8.337 9.665 -0.091
9 H SER 3 H SER 3 -9.881 11.690 -1.000
10 HA SER 3 HA SER 3 -12.596 12.280 -1.036
11 HB2 SER 3 1HB SER 3 -10.938 12.344 -2.978
12 HB3 SER 3 2HB SER 3 -11.229 10.613 -3.150
13 HG SER 3 HG SER 3 -13.332 12.505 -3.120
14 H GLY 4 H GLY 4 -14.465 11.050 -1.268
15 HA2 GLY 4 1HA GLY 4 -14.934 8.905 0.273
16 HA3 GLY 4 2HA GLY 4 -15.796 9.148 -1.239
17 H SER 5 H SER 5 -13.631 7.179 0.474
18 HA SER 5 HA SER 5 -12.535 5.864 -1.863
19 HB2 SER 5 1HB SER 5 -11.056 6.009 0.008
20 HB3 SER 5 2HB SER 5 -12.272 5.351 1.103
21 HG SER 5 HG SER 5 -11.359 3.512 0.667
22 H SER 6 H SER 6 -13.407 4.181 -2.872
23 HA SER 6 HA SER 6 -15.401 2.552 -1.447
24 HB2 SER 6 1HB SER 6 -16.884 2.561 -3.296
25 HB3 SER 6 2HB SER 6 -16.398 4.243 -3.090
26 HG SER 6 HG SER 6 -16.237 3.710 -5.256
27 H GLY 7 H GLY 7 -15.834 0.450 -2.627
28 HA2 GLY 7 1HA GLY 7 -14.919 -1.125 -4.296
29 HA3 GLY 7 2HA GLY 7 -13.326 -0.537 -3.842
30 H THR 8 H THR 8 -15.379 -3.056 -3.503
31 HA THR 8 HA THR 8 -15.088 -3.699 -0.748
32 HB THR 8 HB THR 8 -15.624 -5.620 -3.019
33 HG1 THR 8 HG1 THR 8 -17.237 -3.723 -1.736
34 HG21 THR 8 3HG2 THR 8 -15.424 -7.063 -1.291
35 HG22 THR 8 1HG2 THR 8 -17.048 -6.504 -0.893
36 HG23 THR 8 2HG2 THR 8 -15.649 -5.804 -0.078
37 H GLY 9 H GLY 9 -13.177 -4.078 0.172
38 HA2 GLY 9 1HA GLY 9 -10.781 -4.657 -1.052
39 HA3 GLY 9 2HA GLY 9 -11.159 -5.089 0.609
40 H GLU 10 H GLU 10 -9.997 -6.335 -2.125
41 HA GLU 10 HA GLU 10 -11.202 -8.982 -1.647
42 HB2 GLU 10 1HB GLU 10 -11.794 -8.311 -3.852
43 HB3 GLU 10 2HB GLU 10 -10.167 -7.737 -4.189
44 HG2 GLU 10 1HG GLU 10 -10.281 -9.734 -5.347
45 HG3 GLU 10 2HG GLU 10 -9.455 -10.180 -3.855
46 H LYS 11 H LYS 11 -8.218 -7.330 -2.646
47 HA LYS 11 HA LYS 11 -6.563 -9.623 -2.346
48 HB2 LYS 11 1HB LYS 11 -5.664 -6.745 -2.232
49 HB3 LYS 11 2HB LYS 11 -4.719 -8.147 -2.715
50 HG2 LYS 11 1HG LYS 11 -6.858 -6.704 -4.221
51 HG3 LYS 11 2HG LYS 11 -5.222 -7.130 -4.729
52 HD2 LYS 11 1HD LYS 11 -7.474 -9.085 -4.264
53 HD3 LYS 11 2HD LYS 11 -6.932 -8.507 -5.841
54 HE2 LYS 11 1HE LYS 11 -4.723 -9.473 -5.435
55 HE3 LYS 11 2HE LYS 11 -5.257 -10.040 -3.854
56 HZ1 LYS 11 3HZ LYS 11 -5.821 -11.110 -6.494
57 HZ2 LYS 11 1HZ LYS 11 -7.123 -11.110 -5.413
58 HZ3 LYS 11 2HZ LYS 11 -5.688 -11.907 -5.007
59 HA PRO 12 HA PRO 12 -5.824 -9.712 1.982
60 HB2 PRO 12 1HB PRO 12 -3.275 -10.644 2.041
61 HB3 PRO 12 2HB PRO 12 -4.658 -11.658 1.615
62 HG2 PRO 12 1HG PRO 12 -2.686 -10.292 -0.177
63 HG3 PRO 12 2HG PRO 12 -3.352 -11.932 -0.289
64 HD2 PRO 12 1HD PRO 12 -4.265 -9.882 -1.804
65 HD3 PRO 12 2HD PRO 12 -5.314 -11.204 -1.256
66 H TYR 13 H TYR 13 -4.457 -7.458 -0.000
67 HA TYR 13 HA TYR 13 -3.198 -6.088 2.276
68 HB2 TYR 13 1HB TYR 13 -2.099 -5.803 -0.506
69 HB3 TYR 13 2HB TYR 13 -1.326 -5.426 1.030
70 HD1 TYR 13 HD1 TYR 13 -1.321 -7.689 2.633
71 HD2 TYR 13 HD2 TYR 13 -1.126 -7.564 -1.615
72 HE1 TYR 13 HE1 TYR 13 -0.221 -9.889 2.625
73 HE2 TYR 13 HE2 TYR 13 -0.026 -9.765 -1.635
74 HH TYR 13 HH TYR 13 0.680 -11.493 1.389
75 H LYS 14 H LYS 14 -3.681 -3.966 2.488
76 HA LYS 14 HA LYS 14 -4.803 -2.452 0.297
77 HB2 LYS 14 1HB LYS 14 -6.814 -3.530 1.039
78 HB3 LYS 14 2HB LYS 14 -6.446 -3.181 2.723
79 HG2 LYS 14 1HG LYS 14 -6.531 -0.697 1.924
80 HG3 LYS 14 2HG LYS 14 -7.472 -1.370 0.592
81 HD2 LYS 14 1HD LYS 14 -9.089 -2.280 2.115
82 HD3 LYS 14 2HD LYS 14 -8.097 -1.835 3.506
83 HE2 LYS 14 1HE LYS 14 -8.923 0.310 1.619
84 HE3 LYS 14 2HE LYS 14 -10.138 -0.349 2.713
85 HZ1 LYS 14 3HZ LYS 14 -8.592 1.657 3.392
86 HZ2 LYS 14 1HZ LYS 14 -7.558 0.401 3.858
87 HZ3 LYS 14 2HZ LYS 14 -9.108 0.511 4.524
88 H CYS 15 H CYS 15 -4.587 -0.262 0.564
89 HA CYS 15 HA CYS 15 -2.883 0.584 2.744
90 HB2 CYS 15 1HB CYS 15 -2.447 1.336 0.433
91 HB3 CYS 15 2HB CYS 15 -4.001 2.164 0.418
92 H SER 16 H SER 16 -3.380 2.055 4.330
93 HA SER 16 HA SER 16 -6.238 2.456 4.809
94 HB2 SER 16 1HB SER 16 -3.833 2.733 6.625
95 HB3 SER 16 2HB SER 16 -5.486 3.101 7.117
96 HG SER 16 HG SER 16 -4.264 0.652 6.673
97 H ASP 17 H ASP 17 -3.383 4.172 3.948
98 HA ASP 17 HA ASP 17 -4.059 6.753 4.841
99 HB2 ASP 17 1HB ASP 17 -1.830 5.831 3.843
100 HB3 ASP 17 2HB ASP 17 -2.533 6.298 2.297
101 H CYS 18 H CYS 18 -4.320 5.422 1.538
102 HA CYS 18 HA CYS 18 -6.267 7.500 0.888
103 HB2 CYS 18 1HB CYS 18 -6.017 6.638 -1.444
104 HB3 CYS 18 2HB CYS 18 -4.510 7.207 -0.734
105 H GLY 19 H GLY 19 -5.967 3.957 0.823
106 HA2 GLY 19 1HA GLY 19 -7.857 2.660 1.677
107 HA3 GLY 19 2HA GLY 19 -8.917 3.823 0.895
108 H LYS 20 H LYS 20 -6.015 2.414 -0.518
109 HA LYS 20 HA LYS 20 -7.705 1.241 -2.615
110 HB2 LYS 20 1HB LYS 20 -4.942 2.361 -2.561
111 HB3 LYS 20 2HB LYS 20 -5.288 1.075 -3.711
112 HG2 LYS 20 1HG LYS 20 -6.916 2.364 -4.820
113 HG3 LYS 20 2HG LYS 20 -6.971 3.554 -3.517
114 HD2 LYS 20 1HD LYS 20 -5.677 4.657 -5.068
115 HD3 LYS 20 2HD LYS 20 -4.435 3.859 -4.101
116 HE2 LYS 20 1HE LYS 20 -3.797 3.424 -6.302
117 HE3 LYS 20 2HE LYS 20 -4.620 1.947 -5.801
118 HZ1 LYS 20 3HZ LYS 20 -6.672 3.161 -6.824
119 HZ2 LYS 20 1HZ LYS 20 -5.587 2.328 -7.819
120 HZ3 LYS 20 2HZ LYS 20 -5.496 4.012 -7.691
121 H SER 21 H SER 21 -6.798 -0.789 -3.623
122 HA SER 21 HA SER 21 -5.906 -2.597 -1.479
123 HB2 SER 21 1HB SER 21 -8.184 -2.865 -2.796
124 HB3 SER 21 2HB SER 21 -7.143 -3.621 -4.002
125 HG SER 21 HG SER 21 -7.460 -5.315 -2.777
126 H PHE 22 H PHE 22 -4.397 -4.258 -1.984
127 HA PHE 22 HA PHE 22 -2.889 -3.916 -4.474
128 HB2 PHE 22 1HB PHE 22 -1.571 -4.093 -1.759
129 HB3 PHE 22 2HB PHE 22 -0.766 -3.895 -3.312
130 HD1 PHE 22 HD1 PHE 22 -3.450 -2.216 -1.331
131 HD2 PHE 22 HD2 PHE 22 -0.020 -1.792 -3.815
132 HE1 PHE 22 HE1 PHE 22 -3.572 0.228 -1.075
133 HE2 PHE 22 HE2 PHE 22 -0.135 0.653 -3.562
134 HZ PHE 22 HZ PHE 22 -1.912 1.666 -2.191
135 H THR 23 H THR 23 -2.165 -5.777 -5.352
136 HA THR 23 HA THR 23 -3.024 -8.254 -4.125
137 HB THR 23 HB THR 23 -1.664 -7.752 -6.779
138 HG1 THR 23 HG1 THR 23 -3.690 -7.792 -7.612
139 HG21 THR 23 3HG2 THR 23 -3.084 -10.172 -6.816
140 HG22 THR 23 1HG2 THR 23 -2.148 -10.186 -5.322
141 HG23 THR 23 2HG2 THR 23 -1.335 -9.956 -6.869
142 H TRP 24 H TRP 24 -0.098 -6.465 -4.524
143 HA TRP 24 HA TRP 24 1.435 -8.746 -3.459
144 HB2 TRP 24 1HB TRP 24 2.256 -6.528 -5.327
145 HB3 TRP 24 2HB TRP 24 3.442 -7.473 -4.431
146 HD1 TRP 24 HD1 TRP 24 0.373 -8.388 -6.650
147 HE1 TRP 24 HE1 TRP 24 1.088 -10.297 -8.221
148 HE3 TRP 24 HE3 TRP 24 5.213 -8.947 -5.100
149 HZ2 TRP 24 HZ2 TRP 24 3.397 -11.838 -8.735
150 HZ3 TRP 24 HZ3 TRP 24 6.607 -10.662 -6.183
151 HH2 TRP 24 HH2 TRP 24 5.716 -12.076 -7.962
152 H LYS 25 H LYS 25 2.971 -8.337 -1.830
153 HA LYS 25 HA LYS 25 2.201 -6.344 0.045
154 HB2 LYS 25 1HB LYS 25 4.381 -8.395 -0.090
155 HB3 LYS 25 2HB LYS 25 4.438 -7.149 1.150
156 HG2 LYS 25 1HG LYS 25 2.040 -7.881 1.707
157 HG3 LYS 25 2HG LYS 25 2.417 -9.323 0.761
158 HD2 LYS 25 1HD LYS 25 4.516 -9.481 2.251
159 HD3 LYS 25 2HD LYS 25 3.662 -8.361 3.315
160 HE2 LYS 25 1HE LYS 25 3.076 -10.439 4.168
161 HE3 LYS 25 2HE LYS 25 1.708 -10.039 3.130
162 HZ1 LYS 25 3HZ LYS 25 3.906 -11.946 2.604
163 HZ2 LYS 25 1HZ LYS 25 2.924 -11.354 1.360
164 HZ3 LYS 25 2HZ LYS 25 2.241 -12.242 2.627
165 H SER 26 H SER 26 5.379 -6.853 -1.499
166 HA SER 26 HA SER 26 6.631 -4.545 -0.816
167 HB2 SER 26 1HB SER 26 7.586 -4.734 -3.307
168 HB3 SER 26 2HB SER 26 8.028 -5.884 -2.045
169 HG SER 26 HG SER 26 6.927 -6.440 -4.335
170 H ARG 27 H ARG 27 4.598 -4.943 -3.717
171 HA ARG 27 HA ARG 27 4.731 -2.411 -4.754
172 HB2 ARG 27 1HB ARG 27 2.482 -4.404 -4.661
173 HB3 ARG 27 2HB ARG 27 2.280 -2.849 -5.458
174 HG2 ARG 27 1HG ARG 27 2.873 -4.569 -7.058
175 HG3 ARG 27 2HG ARG 27 4.155 -3.363 -6.938
176 HD2 ARG 27 1HD ARG 27 4.228 -5.883 -5.315
177 HD3 ARG 27 2HD ARG 27 4.810 -5.851 -6.979
178 HE ARG 27 HE ARG 27 6.112 -4.758 -4.675
179 HH11 ARG 27 1HH1 ARG 27 5.732 -4.464 -8.123
180 HH12 ARG 27 2HH1 ARG 27 7.271 -3.704 -8.359
181 HH21 ARG 27 1HH2 ARG 27 8.141 -3.759 -4.973
182 HH22 ARG 27 2HH2 ARG 27 8.641 -3.304 -6.566
183 H LEU 28 H LEU 28 2.699 -3.547 -2.095
184 HA LEU 28 HA LEU 28 1.226 -1.156 -1.766
185 HB2 LEU 28 1HB LEU 28 0.411 -3.209 -0.839
186 HB3 LEU 28 2HB LEU 28 1.863 -3.398 0.142
187 HG LEU 28 HG LEU 28 1.146 -1.284 1.352
188 HD11 LEU 28 1HD1 LEU 28 -1.652 -1.730 0.708
189 HD12 LEU 28 2HD1 LEU 28 -0.721 -1.141 -0.668
190 HD13 LEU 28 3HD1 LEU 28 -0.744 -0.224 0.838
191 HD21 LEU 28 3HD2 LEU 28 -0.232 -2.485 2.861
192 HD22 LEU 28 1HD2 LEU 28 0.893 -3.654 2.170
193 HD23 LEU 28 2HD2 LEU 28 -0.773 -3.590 1.597
194 H ARG 29 H ARG 29 4.057 -2.433 -0.022
195 HA ARG 29 HA ARG 29 4.446 -0.396 1.787
196 HB2 ARG 29 1HB ARG 29 6.606 -1.902 0.300
197 HB3 ARG 29 2HB ARG 29 6.807 -1.043 1.821
198 HG2 ARG 29 1HG ARG 29 4.982 -2.623 2.710
199 HG3 ARG 29 2HG ARG 29 5.341 -3.594 1.280
200 HD2 ARG 29 1HD ARG 29 7.491 -2.677 3.166
201 HD3 ARG 29 2HD ARG 29 6.583 -4.163 3.440
202 HE ARG 29 HE ARG 29 7.521 -4.287 0.843
203 HH11 ARG 29 1HH1 ARG 29 8.870 -4.079 4.045
204 HH12 ARG 29 2HH1 ARG 29 10.318 -4.935 3.632
205 HH21 ARG 29 1HH2 ARG 29 9.424 -5.414 0.286
206 HH22 ARG 29 2HH2 ARG 29 10.633 -5.693 1.493
207 H ILE 30 H ILE 30 6.019 -0.637 -1.409
208 HA ILE 30 HA ILE 30 7.294 1.807 -1.429
209 HB ILE 30 HB ILE 30 6.016 0.426 -3.792
210 HG12 ILE 30 1HG1 ILE 30 8.926 0.296 -3.091
211 HG13 ILE 30 2HG1 ILE 30 7.790 -0.764 -2.264
212 HG21 ILE 30 1HG2 ILE 30 8.422 2.159 -4.022
213 HG22 ILE 30 2HG2 ILE 30 7.161 1.812 -5.204
214 HG23 ILE 30 3HG2 ILE 30 6.842 2.929 -3.877
215 HD11 ILE 30 3HD1 ILE 30 8.982 -1.069 -4.821
216 HD12 ILE 30 1HD1 ILE 30 7.907 -2.170 -3.960
217 HD13 ILE 30 2HD1 ILE 30 7.236 -0.933 -5.024
218 H HIS 31 H HIS 31 3.974 1.063 -2.428
219 HA HIS 31 HA HIS 31 3.229 3.526 -3.446
220 HB2 HIS 31 1HB HIS 31 1.661 1.817 -3.735
221 HB3 HIS 31 2HB HIS 31 1.704 1.357 -2.036
222 HD1 HIS 31 HD1 HIS 31 0.280 3.985 -4.329
223 HD2 HIS 31 HD2 HIS 31 -0.125 2.640 -0.419
224 HE1 HIS 31 HE1 HIS 31 -1.746 5.165 -3.418
225 H GLN 32 H GLN 32 2.900 2.386 -0.085
226 HA GLN 32 HA GLN 32 1.757 4.566 1.090
227 HB2 GLN 32 1HB GLN 32 3.878 2.690 2.107
228 HB3 GLN 32 2HB GLN 32 3.210 3.960 3.124
229 HG2 GLN 32 1HG GLN 32 1.361 2.083 1.735
230 HG3 GLN 32 2HG GLN 32 2.222 1.547 3.177
231 HE21 GLN 32 1HE2 GLN 32 -0.392 1.530 3.390
232 HE22 GLN 32 2HE2 GLN 32 -0.979 2.854 4.332
233 H LYS 33 H LYS 33 5.281 4.068 0.829
234 HA LYS 33 HA LYS 33 6.235 6.385 1.850
235 HB2 LYS 33 1HB LYS 33 7.204 5.069 -0.695
236 HB3 LYS 33 2HB LYS 33 8.127 6.207 0.277
237 HG2 LYS 33 1HG LYS 33 7.725 4.498 2.190
238 HG3 LYS 33 2HG LYS 33 7.388 3.377 0.869
239 HD2 LYS 33 1HD LYS 33 9.623 4.190 -0.113
240 HD3 LYS 33 2HD LYS 33 9.935 4.836 1.500
241 HE2 LYS 33 1HE LYS 33 10.925 2.688 1.439
242 HE3 LYS 33 2HE LYS 33 9.447 2.525 2.387
243 HZ1 LYS 33 3HZ LYS 33 9.098 2.042 -0.434
244 HZ2 LYS 33 1HZ LYS 33 8.556 1.144 0.894
245 HZ3 LYS 33 2HZ LYS 33 10.135 0.941 0.322
246 H CYS 34 H CYS 34 4.646 5.982 -1.251
247 HA CYS 34 HA CYS 34 5.279 8.422 -2.437
248 HB2 CYS 34 1HB CYS 34 4.075 6.473 -3.504
249 HB3 CYS 34 2HB CYS 34 2.618 7.014 -2.680
250 HG CYS 34 HG CYS 34 3.218 7.746 -5.592
251 H HIS 35 H HIS 35 2.493 7.591 -0.383
252 HA HIS 35 HA HIS 35 1.165 9.995 -0.372
253 HB2 HIS 35 1HB HIS 35 1.536 7.950 1.811
254 HB3 HIS 35 2HB HIS 35 0.498 9.358 2.016
255 HD1 HIS 35 HD1 HIS 35 -0.797 9.353 -0.815
256 HD2 HIS 35 HD2 HIS 35 -0.384 6.012 1.619
257 HE1 HIS 35 HE1 HIS 35 -2.567 7.739 -1.582
258 H THR 36 H THR 36 3.224 9.064 2.376
259 HA THR 36 HA THR 36 3.559 11.724 3.267
260 HB THR 36 HB THR 36 3.794 9.854 4.808
261 HG1 THR 36 HG1 THR 36 6.063 10.498 5.549
262 HG21 THR 36 3HG2 THR 36 5.158 8.089 4.508
263 HG22 THR 36 1HG2 THR 36 6.492 9.093 3.940
264 HG23 THR 36 2HG2 THR 36 5.208 8.620 2.827
265 H GLY 37 H GLY 37 4.661 13.254 2.233
266 HA2 GLY 37 1HA GLY 37 7.260 13.565 1.858
267 HA3 GLY 37 2HA GLY 37 6.891 12.517 0.496
268 H GLU 38 H GLU 38 4.404 13.526 -0.247
269 HA GLU 38 HA GLU 38 4.681 16.380 -0.663
270 HB2 GLU 38 1HB GLU 38 5.151 14.361 -2.813
271 HB3 GLU 38 2HB GLU 38 4.328 15.858 -3.230
272 HG2 GLU 38 1HG GLU 38 6.354 16.947 -1.966
273 HG3 GLU 38 2HG GLU 38 7.133 15.414 -2.356
274 H ARG 39 H ARG 39 2.795 17.340 -1.644
275 HA ARG 39 HA ARG 39 0.382 16.022 -0.826
276 HB2 ARG 39 1HB ARG 39 -0.738 18.070 -1.457
277 HB3 ARG 39 2HB ARG 39 0.733 18.464 -0.577
278 HG2 ARG 39 1HG ARG 39 1.760 18.620 -2.983
279 HG3 ARG 39 2HG ARG 39 0.076 18.862 -3.450
280 HD2 ARG 39 1HD ARG 39 -0.104 20.743 -1.932
281 HD3 ARG 39 2HD ARG 39 1.542 20.471 -1.364
282 HE ARG 39 HE ARG 39 1.359 20.907 -4.198
283 HH11 ARG 39 1HH1 ARG 39 1.610 22.433 -1.079
284 HH12 ARG 39 2HH1 ARG 39 2.320 23.885 -1.702
285 HH21 ARG 39 1HH2 ARG 39 2.292 22.814 -5.030
286 HH22 ARG 39 2HH2 ARG 39 2.706 24.102 -3.950
287 H HIS 40 H HIS 40 -0.627 14.555 -2.016
288 HA HIS 40 HA HIS 40 -0.779 14.957 -4.924
289 HB2 HIS 40 1HB HIS 40 -0.337 12.294 -3.557
290 HB3 HIS 40 2HB HIS 40 -0.509 12.555 -5.291
291 HD2 HIS 40 HD2 HIS 40 2.264 11.268 -4.042
292 HE1 HIS 40 HE1 HIS 40 3.926 15.036 -5.063
293 HE2 HIS 40 HE2 HIS 40 4.410 12.614 -4.566
294 H SER 41 H SER 41 -2.488 13.335 -5.846
295 HA SER 41 HA SER 41 -4.772 13.143 -4.009
296 HB2 SER 41 1HB SER 41 -5.121 15.181 -5.286
297 HB3 SER 41 2HB SER 41 -4.832 14.320 -6.798
298 HG SER 41 HG SER 41 -6.800 13.563 -6.742
299 H GLY 42 H GLY 42 -6.389 11.597 -4.633
300 HA2 GLY 42 1HA GLY 42 -5.310 9.520 -6.439
301 HA3 GLY 42 2HA GLY 42 -6.245 9.169 -4.993
302 HA PRO 43 HA PRO 43 -9.360 11.015 -8.208
303 HB2 PRO 43 1HB PRO 43 -8.435 11.325 -10.742
304 HB3 PRO 43 2HB PRO 43 -8.341 12.601 -9.522
305 HG2 PRO 43 1HG PRO 43 -6.227 10.683 -10.425
306 HG3 PRO 43 2HG PRO 43 -6.094 12.420 -10.095
307 HD2 PRO 43 1HD PRO 43 -5.291 10.535 -8.324
308 HD3 PRO 43 2HD PRO 43 -5.949 12.104 -7.816
309 H SER 44 H SER 44 -10.104 8.864 -7.844
310 HA SER 44 HA SER 44 -9.398 6.869 -9.867
311 HB2 SER 44 1HB SER 44 -9.379 6.225 -7.456
312 HB3 SER 44 2HB SER 44 -11.113 6.538 -7.393
313 HG SER 44 HG SER 44 -11.030 4.429 -7.842
314 H SER 45 H SER 45 -10.863 9.011 -10.836
315 HA SER 45 HA SER 45 -13.399 7.687 -11.507
316 HB2 SER 45 1HB SER 45 -14.603 9.788 -11.403
317 HB3 SER 45 2HB SER 45 -13.806 9.513 -9.854
318 HG SER 45 HG SER 45 -12.860 11.352 -10.150
319 H GLY 46 H GLY 46 -14.398 8.659 -13.512
320 HA2 GLY 46 1HA GLY 46 -13.466 10.263 -15.392
321 HA3 GLY 46 2HA GLY 46 -12.280 8.970 -15.502
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -21.083 9.651 -9.928
2 HA2 GLY 1 1HA GLY 1 -21.947 9.371 -12.578
3 HA3 GLY 1 2HA GLY 1 -20.862 10.752 -12.511
4 H SER 2 H SER 2 -19.726 9.227 -14.063
5 HA SER 2 HA SER 2 -18.273 7.067 -12.764
6 HB2 SER 2 1HB SER 2 -18.391 8.045 -15.619
7 HB3 SER 2 2HB SER 2 -17.288 6.774 -15.091
8 HG SER 2 HG SER 2 -19.914 6.434 -14.321
9 H SER 3 H SER 3 -17.689 9.568 -11.692
10 HA SER 3 HA SER 3 -15.723 11.148 -12.556
11 HB2 SER 3 1HB SER 3 -16.187 9.915 -9.875
12 HB3 SER 3 2HB SER 3 -14.712 10.848 -10.125
13 HG SER 3 HG SER 3 -16.444 12.396 -11.110
14 H GLY 4 H GLY 4 -14.961 8.064 -10.919
15 HA2 GLY 4 1HA GLY 4 -12.441 8.013 -12.464
16 HA3 GLY 4 2HA GLY 4 -12.581 7.408 -10.820
17 H SER 5 H SER 5 -11.783 5.375 -11.484
18 HA SER 5 HA SER 5 -13.618 3.814 -13.176
19 HB2 SER 5 1HB SER 5 -10.687 3.422 -12.547
20 HB3 SER 5 2HB SER 5 -11.667 2.225 -13.392
21 HG SER 5 HG SER 5 -11.746 4.826 -14.369
22 H SER 6 H SER 6 -14.055 1.607 -12.558
23 HA SER 6 HA SER 6 -13.810 1.139 -9.659
24 HB2 SER 6 1HB SER 6 -16.032 0.381 -9.517
25 HB3 SER 6 2HB SER 6 -16.141 1.804 -10.553
26 HG SER 6 HG SER 6 -17.128 0.445 -11.831
27 H GLY 7 H GLY 7 -13.261 -0.892 -9.005
28 HA2 GLY 7 1HA GLY 7 -13.529 -3.252 -10.480
29 HA3 GLY 7 2HA GLY 7 -11.941 -2.587 -10.835
30 H THR 8 H THR 8 -13.870 -2.757 -7.846
31 HA THR 8 HA THR 8 -11.641 -3.267 -6.199
32 HB THR 8 HB THR 8 -13.261 -3.815 -4.440
33 HG1 THR 8 HG1 THR 8 -15.454 -3.326 -6.076
34 HG21 THR 8 3HG2 THR 8 -12.845 -1.408 -5.441
35 HG22 THR 8 1HG2 THR 8 -14.060 -1.677 -4.192
36 HG23 THR 8 2HG2 THR 8 -14.546 -1.546 -5.883
37 H GLY 9 H GLY 9 -11.144 -5.194 -4.987
38 HA2 GLY 9 1HA GLY 9 -12.271 -7.722 -5.737
39 HA3 GLY 9 2HA GLY 9 -10.696 -7.455 -6.470
40 H GLU 10 H GLU 10 -11.939 -9.185 -4.181
41 HA GLU 10 HA GLU 10 -10.938 -8.646 -1.722
42 HB2 GLU 10 1HB GLU 10 -10.911 -11.295 -3.172
43 HB3 GLU 10 2HB GLU 10 -10.591 -11.120 -1.452
44 HG2 GLU 10 1HG GLU 10 -13.103 -9.966 -2.530
45 HG3 GLU 10 2HG GLU 10 -12.986 -11.718 -2.374
46 H LYS 11 H LYS 11 -9.013 -8.240 -0.866
47 HA LYS 11 HA LYS 11 -6.613 -9.435 -2.005
48 HB2 LYS 11 1HB LYS 11 -5.438 -7.321 -2.202
49 HB3 LYS 11 2HB LYS 11 -6.887 -7.289 -3.199
50 HG2 LYS 11 1HG LYS 11 -6.908 -6.163 -0.427
51 HG3 LYS 11 2HG LYS 11 -6.303 -5.220 -1.791
52 HD2 LYS 11 1HD LYS 11 -8.433 -5.459 -2.933
53 HD3 LYS 11 2HD LYS 11 -9.040 -6.484 -1.630
54 HE2 LYS 11 1HE LYS 11 -8.058 -3.699 -1.102
55 HE3 LYS 11 2HE LYS 11 -9.708 -4.001 -1.644
56 HZ1 LYS 11 3HZ LYS 11 -8.603 -4.296 0.947
57 HZ2 LYS 11 1HZ LYS 11 -9.251 -5.768 0.425
58 HZ3 LYS 11 2HZ LYS 11 -10.221 -4.383 0.462
59 HA PRO 12 HA PRO 12 -5.584 -9.764 2.266
60 HB2 PRO 12 1HB PRO 12 -2.919 -10.219 2.015
61 HB3 PRO 12 2HB PRO 12 -4.142 -11.436 1.631
62 HG2 PRO 12 1HG PRO 12 -2.636 -9.618 -0.209
63 HG3 PRO 12 2HG PRO 12 -3.013 -11.340 -0.400
64 HD2 PRO 12 1HD PRO 12 -4.422 -9.393 -1.647
65 HD3 PRO 12 2HD PRO 12 -5.162 -10.918 -1.119
66 H TYR 13 H TYR 13 -4.237 -7.375 0.176
67 HA TYR 13 HA TYR 13 -3.362 -5.825 2.525
68 HB2 TYR 13 1HB TYR 13 -2.185 -5.490 -0.228
69 HB3 TYR 13 2HB TYR 13 -1.551 -4.911 1.309
70 HD1 TYR 13 HD1 TYR 13 -0.695 -6.628 2.976
71 HD2 TYR 13 HD2 TYR 13 -1.537 -7.578 -1.085
72 HE1 TYR 13 HE1 TYR 13 0.701 -8.644 3.164
73 HE2 TYR 13 HE2 TYR 13 -0.144 -9.597 -0.908
74 HH TYR 13 HH TYR 13 2.006 -10.133 1.589
75 H LYS 14 H LYS 14 -3.599 -3.518 2.361
76 HA LYS 14 HA LYS 14 -4.960 -2.260 0.223
77 HB2 LYS 14 1HB LYS 14 -6.826 -3.630 1.162
78 HB3 LYS 14 2HB LYS 14 -6.643 -2.766 2.683
79 HG2 LYS 14 1HG LYS 14 -7.022 -0.644 1.291
80 HG3 LYS 14 2HG LYS 14 -7.622 -1.741 0.046
81 HD2 LYS 14 1HD LYS 14 -9.550 -1.153 1.206
82 HD3 LYS 14 2HD LYS 14 -9.106 -2.701 1.930
83 HE2 LYS 14 1HE LYS 14 -7.867 -1.339 3.688
84 HE3 LYS 14 2HE LYS 14 -8.721 0.064 3.047
85 HZ1 LYS 14 3HZ LYS 14 -9.660 -1.503 4.998
86 HZ2 LYS 14 1HZ LYS 14 -10.393 -2.220 3.652
87 HZ3 LYS 14 2HZ LYS 14 -10.642 -0.579 3.977
88 H CYS 15 H CYS 15 -4.122 -0.292 0.299
89 HA CYS 15 HA CYS 15 -2.809 0.809 2.508
90 HB2 CYS 15 1HB CYS 15 -2.413 1.496 0.162
91 HB3 CYS 15 2HB CYS 15 -3.991 2.276 0.140
92 H SER 16 H SER 16 -3.597 1.597 4.334
93 HA SER 16 HA SER 16 -6.407 2.227 4.577
94 HB2 SER 16 1HB SER 16 -4.945 1.015 6.323
95 HB3 SER 16 2HB SER 16 -4.343 2.620 6.736
96 HG SER 16 HG SER 16 -6.839 3.006 6.754
97 H ASP 17 H ASP 17 -3.443 3.925 4.127
98 HA ASP 17 HA ASP 17 -4.066 6.419 5.221
99 HB2 ASP 17 1HB ASP 17 -2.435 5.922 2.723
100 HB3 ASP 17 2HB ASP 17 -2.335 7.318 3.792
101 H CYS 18 H CYS 18 -4.564 5.215 1.909
102 HA CYS 18 HA CYS 18 -6.414 7.460 1.455
103 HB2 CYS 18 1HB CYS 18 -6.041 7.067 -0.955
104 HB3 CYS 18 2HB CYS 18 -4.545 7.440 -0.106
105 H GLY 19 H GLY 19 -5.963 3.992 0.798
106 HA2 GLY 19 1HA GLY 19 -7.892 2.565 1.441
107 HA3 GLY 19 2HA GLY 19 -8.906 3.759 0.643
108 H LYS 20 H LYS 20 -5.826 2.418 -0.470
109 HA LYS 20 HA LYS 20 -7.172 1.565 -2.929
110 HB2 LYS 20 1HB LYS 20 -4.360 2.300 -2.227
111 HB3 LYS 20 2HB LYS 20 -4.640 1.226 -3.591
112 HG2 LYS 20 1HG LYS 20 -6.288 3.027 -4.399
113 HG3 LYS 20 2HG LYS 20 -5.471 4.079 -3.241
114 HD2 LYS 20 1HD LYS 20 -3.310 3.158 -4.418
115 HD3 LYS 20 2HD LYS 20 -4.430 2.827 -5.741
116 HE2 LYS 20 1HE LYS 20 -5.127 5.179 -5.723
117 HE3 LYS 20 2HE LYS 20 -3.991 5.502 -4.414
118 HZ1 LYS 20 3HZ LYS 20 -2.481 5.906 -5.965
119 HZ2 LYS 20 1HZ LYS 20 -3.513 5.394 -7.204
120 HZ3 LYS 20 2HZ LYS 20 -2.529 4.274 -6.406
121 H SER 21 H SER 21 -6.480 -0.484 -3.922
122 HA SER 21 HA SER 21 -6.058 -2.539 -1.856
123 HB2 SER 21 1HB SER 21 -7.115 -4.089 -3.554
124 HB3 SER 21 2HB SER 21 -8.187 -2.847 -2.907
125 HG SER 21 HG SER 21 -6.859 -2.838 -5.414
126 H PHE 22 H PHE 22 -4.496 -4.081 -2.101
127 HA PHE 22 HA PHE 22 -2.897 -4.091 -4.549
128 HB2 PHE 22 1HB PHE 22 -1.624 -3.872 -1.817
129 HB3 PHE 22 2HB PHE 22 -0.808 -3.858 -3.376
130 HD1 PHE 22 HD1 PHE 22 -3.528 -1.985 -1.634
131 HD2 PHE 22 HD2 PHE 22 -0.094 -1.825 -4.145
132 HE1 PHE 22 HE1 PHE 22 -3.688 0.469 -1.690
133 HE2 PHE 22 HE2 PHE 22 -0.248 0.630 -4.204
134 HZ PHE 22 HZ PHE 22 -2.046 1.780 -2.975
135 H THR 23 H THR 23 -2.377 -6.090 -5.167
136 HA THR 23 HA THR 23 -3.178 -8.326 -3.534
137 HB THR 23 HB THR 23 -2.204 -9.647 -5.532
138 HG1 THR 23 HG1 THR 23 -2.370 -8.032 -7.433
139 HG21 THR 23 3HG2 THR 23 -4.504 -7.743 -5.992
140 HG22 THR 23 1HG2 THR 23 -4.607 -9.283 -5.140
141 HG23 THR 23 2HG2 THR 23 -4.211 -9.251 -6.859
142 H TRP 24 H TRP 24 -0.196 -6.762 -4.453
143 HA TRP 24 HA TRP 24 1.310 -8.817 -2.974
144 HB2 TRP 24 1HB TRP 24 2.516 -6.862 -4.925
145 HB3 TRP 24 2HB TRP 24 3.211 -8.358 -4.308
146 HD1 TRP 24 HD1 TRP 24 0.449 -7.155 -6.723
147 HE1 TRP 24 HE1 TRP 24 0.040 -9.011 -8.460
148 HE3 TRP 24 HE3 TRP 24 3.500 -10.770 -4.784
149 HZ2 TRP 24 HZ2 TRP 24 0.896 -11.656 -8.943
150 HZ3 TRP 24 HZ3 TRP 24 3.648 -12.935 -5.943
151 HH2 TRP 24 HH2 TRP 24 2.372 -13.367 -7.979
152 H LYS 25 H LYS 25 2.288 -8.244 -1.141
153 HA LYS 25 HA LYS 25 1.880 -5.735 0.048
154 HB2 LYS 25 1HB LYS 25 2.290 -7.821 1.310
155 HB3 LYS 25 2HB LYS 25 3.956 -7.820 0.748
156 HG2 LYS 25 1HG LYS 25 4.277 -5.635 1.884
157 HG3 LYS 25 2HG LYS 25 2.648 -5.792 2.547
158 HD2 LYS 25 1HD LYS 25 4.598 -8.020 2.926
159 HD3 LYS 25 2HD LYS 25 4.739 -6.574 3.928
160 HE2 LYS 25 1HE LYS 25 2.134 -6.986 4.216
161 HE3 LYS 25 2HE LYS 25 2.609 -8.644 3.853
162 HZ1 LYS 25 3HZ LYS 25 4.411 -8.134 5.660
163 HZ2 LYS 25 1HZ LYS 25 2.852 -8.618 6.105
164 HZ3 LYS 25 2HZ LYS 25 3.282 -6.983 6.171
165 H SER 26 H SER 26 4.922 -7.165 -1.152
166 HA SER 26 HA SER 26 6.710 -5.205 -0.771
167 HB2 SER 26 1HB SER 26 6.359 -6.677 -3.395
168 HB3 SER 26 2HB SER 26 7.834 -5.876 -2.853
169 HG SER 26 HG SER 26 6.558 -8.117 -1.673
170 H ARG 27 H ARG 27 4.150 -5.153 -3.191
171 HA ARG 27 HA ARG 27 5.005 -2.752 -4.459
172 HB2 ARG 27 1HB ARG 27 2.199 -3.862 -4.422
173 HB3 ARG 27 2HB ARG 27 2.926 -2.821 -5.639
174 HG2 ARG 27 1HG ARG 27 4.011 -5.557 -5.079
175 HG3 ARG 27 2HG ARG 27 2.653 -5.305 -6.178
176 HD2 ARG 27 1HD ARG 27 4.235 -3.518 -7.246
177 HD3 ARG 27 2HD ARG 27 5.501 -4.448 -6.445
178 HE ARG 27 HE ARG 27 3.902 -5.265 -8.714
179 HH11 ARG 27 1HH1 ARG 27 6.031 -6.248 -6.141
180 HH12 ARG 27 2HH1 ARG 27 6.504 -7.722 -6.920
181 HH21 ARG 27 1HH2 ARG 27 4.516 -7.203 -9.749
182 HH22 ARG 27 2HH2 ARG 27 5.642 -8.264 -8.972
183 H LEU 28 H LEU 28 2.594 -3.488 -1.965
184 HA LEU 28 HA LEU 28 1.366 -1.067 -1.647
185 HB2 LEU 28 1HB LEU 28 0.746 -3.030 -0.375
186 HB3 LEU 28 2HB LEU 28 2.271 -2.972 0.507
187 HG LEU 28 HG LEU 28 1.550 -0.808 1.497
188 HD11 LEU 28 1HD1 LEU 28 -0.077 -0.316 -0.376
189 HD12 LEU 28 2HD1 LEU 28 -0.654 -0.003 1.261
190 HD13 LEU 28 3HD1 LEU 28 -1.175 -1.454 0.405
191 HD21 LEU 28 3HD2 LEU 28 -0.499 -2.936 2.036
192 HD22 LEU 28 1HD2 LEU 28 0.224 -1.787 3.162
193 HD23 LEU 28 2HD2 LEU 28 1.188 -3.118 2.521
194 H ARG 29 H ARG 29 4.446 -2.076 -0.185
195 HA ARG 29 HA ARG 29 5.030 0.099 1.368
196 HB2 ARG 29 1HB ARG 29 6.775 -1.700 -0.285
197 HB3 ARG 29 2HB ARG 29 7.478 -0.367 0.622
198 HG2 ARG 29 1HG ARG 29 6.399 -1.310 2.674
199 HG3 ARG 29 2HG ARG 29 5.952 -2.718 1.710
200 HD2 ARG 29 1HD ARG 29 8.333 -3.088 1.194
201 HD3 ARG 29 2HD ARG 29 8.751 -1.714 2.217
202 HE ARG 29 HE ARG 29 7.370 -3.262 3.910
203 HH11 ARG 29 1HH1 ARG 29 9.960 -3.982 1.698
204 HH12 ARG 29 2HH1 ARG 29 10.600 -5.271 2.663
205 HH21 ARG 29 1HH2 ARG 29 8.203 -4.957 5.189
206 HH22 ARG 29 2HH2 ARG 29 9.600 -5.825 4.648
207 H ILE 30 H ILE 30 6.250 -0.255 -1.968
208 HA ILE 30 HA ILE 30 7.261 2.243 -2.363
209 HB ILE 30 HB ILE 30 5.692 0.669 -4.410
210 HG12 ILE 30 1HG1 ILE 30 8.245 0.166 -5.024
211 HG13 ILE 30 2HG1 ILE 30 8.443 0.426 -3.295
212 HG21 ILE 30 1HG2 ILE 30 7.930 2.242 -5.370
213 HG22 ILE 30 2HG2 ILE 30 6.265 2.179 -5.944
214 HG23 ILE 30 3HG2 ILE 30 6.695 3.239 -4.602
215 HD11 ILE 30 3HD1 ILE 30 6.232 -1.272 -3.580
216 HD12 ILE 30 1HD1 ILE 30 7.472 -1.874 -4.681
217 HD13 ILE 30 2HD1 ILE 30 7.837 -1.671 -2.967
218 H HIS 31 H HIS 31 3.873 1.268 -2.647
219 HA HIS 31 HA HIS 31 2.894 3.732 -3.614
220 HB2 HIS 31 1HB HIS 31 1.518 1.793 -3.849
221 HB3 HIS 31 2HB HIS 31 1.559 1.476 -2.117
222 HD1 HIS 31 HD1 HIS 31 -0.128 3.579 -4.692
223 HD2 HIS 31 HD2 HIS 31 -0.197 3.037 -0.574
224 HE1 HIS 31 HE1 HIS 31 -2.185 4.782 -3.890
225 H GLN 32 H GLN 32 3.541 2.524 -0.388
226 HA GLN 32 HA GLN 32 2.182 4.613 0.995
227 HB2 GLN 32 1HB GLN 32 4.355 2.722 1.911
228 HB3 GLN 32 2HB GLN 32 3.455 3.798 2.971
229 HG2 GLN 32 1HG GLN 32 1.374 2.597 1.980
230 HG3 GLN 32 2HG GLN 32 2.539 1.348 1.540
231 HE21 GLN 32 1HE2 GLN 32 0.672 2.725 4.025
232 HE22 GLN 32 2HE2 GLN 32 1.223 1.721 5.319
233 H LYS 33 H LYS 33 5.435 4.167 -0.228
234 HA LYS 33 HA LYS 33 6.775 6.178 1.146
235 HB2 LYS 33 1HB LYS 33 7.158 5.245 -1.704
236 HB3 LYS 33 2HB LYS 33 8.302 6.244 -0.818
237 HG2 LYS 33 1HG LYS 33 7.451 3.615 0.309
238 HG3 LYS 33 2HG LYS 33 8.661 3.677 -0.974
239 HD2 LYS 33 1HD LYS 33 8.889 5.332 1.526
240 HD3 LYS 33 2HD LYS 33 9.512 3.683 1.430
241 HE2 LYS 33 1HE LYS 33 10.977 4.294 -0.383
242 HE3 LYS 33 2HE LYS 33 10.274 5.909 -0.458
243 HZ1 LYS 33 3HZ LYS 33 11.479 6.605 1.285
244 HZ2 LYS 33 1HZ LYS 33 12.493 5.307 0.897
245 HZ3 LYS 33 2HZ LYS 33 11.341 5.143 2.124
246 H CYS 34 H CYS 34 4.421 6.393 -1.382
247 HA CYS 34 HA CYS 34 5.013 9.219 -1.845
248 HB2 CYS 34 1HB CYS 34 4.537 7.604 -3.746
249 HB3 CYS 34 2HB CYS 34 2.873 7.558 -3.178
250 HG CYS 34 HG CYS 34 3.592 9.332 -5.483
251 H HIS 35 H HIS 35 3.960 8.325 0.707
252 HA HIS 35 HA HIS 35 1.456 9.870 0.707
253 HB2 HIS 35 1HB HIS 35 2.008 7.185 1.882
254 HB3 HIS 35 2HB HIS 35 0.953 8.277 2.775
255 HD1 HIS 35 HD1 HIS 35 -0.922 9.417 0.890
256 HD2 HIS 35 HD2 HIS 35 0.509 5.553 0.358
257 HE1 HIS 35 HE1 HIS 35 -2.606 8.274 -0.587
258 H THR 36 H THR 36 3.821 11.110 1.146
259 HA THR 36 HA THR 36 3.668 11.718 4.014
260 HB THR 36 HB THR 36 6.168 12.060 4.011
261 HG1 THR 36 HG1 THR 36 6.342 10.282 1.852
262 HG21 THR 36 3HG2 THR 36 6.685 9.664 4.289
263 HG22 THR 36 1HG2 THR 36 5.142 9.258 3.540
264 HG23 THR 36 2HG2 THR 36 5.176 10.114 5.082
265 H GLY 37 H GLY 37 4.052 13.861 4.568
266 HA2 GLY 37 1HA GLY 37 4.775 16.087 4.091
267 HA3 GLY 37 2HA GLY 37 4.644 15.727 2.376
268 H GLU 38 H GLU 38 3.566 18.022 3.064
269 HA GLU 38 HA GLU 38 0.671 17.480 3.160
270 HB2 GLU 38 1HB GLU 38 2.305 19.539 4.575
271 HB3 GLU 38 2HB GLU 38 0.676 19.965 4.073
272 HG2 GLU 38 1HG GLU 38 -0.199 18.046 5.325
273 HG3 GLU 38 2HG GLU 38 1.438 17.665 5.858
274 H ARG 39 H ARG 39 -0.629 18.580 1.735
275 HA ARG 39 HA ARG 39 0.539 19.450 -0.684
276 HB2 ARG 39 1HB ARG 39 -2.272 19.650 0.393
277 HB3 ARG 39 2HB ARG 39 -1.827 20.198 -1.217
278 HG2 ARG 39 1HG ARG 39 -1.035 17.903 -1.724
279 HG3 ARG 39 2HG ARG 39 -1.642 17.391 -0.148
280 HD2 ARG 39 1HD ARG 39 -3.896 18.103 -0.793
281 HD3 ARG 39 2HD ARG 39 -3.284 18.601 -2.370
282 HE ARG 39 HE ARG 39 -2.696 15.868 -1.812
283 HH11 ARG 39 1HH1 ARG 39 -5.208 18.033 -2.872
284 HH12 ARG 39 2HH1 ARG 39 -6.058 16.817 -3.767
285 HH21 ARG 39 1HH2 ARG 39 -3.805 14.259 -2.987
286 HH22 ARG 39 2HH2 ARG 39 -5.259 14.670 -3.831
287 H HIS 40 H HIS 40 -0.982 21.206 1.995
288 HA HIS 40 HA HIS 40 -0.948 23.768 0.941
289 HB2 HIS 40 1HB HIS 40 -0.359 23.114 3.830
290 HB3 HIS 40 2HB HIS 40 -1.107 24.575 3.191
291 HD2 HIS 40 HD2 HIS 40 -3.435 23.086 1.370
292 HE1 HIS 40 HE1 HIS 40 -4.588 21.392 5.084
293 HE2 HIS 40 HE2 HIS 40 -5.257 21.814 2.693
294 H SER 41 H SER 41 1.526 22.344 3.085
295 HA SER 41 HA SER 41 3.403 24.424 2.281
296 HB2 SER 41 1HB SER 41 3.804 22.186 4.278
297 HB3 SER 41 2HB SER 41 4.810 23.621 4.081
298 HG SER 41 HG SER 41 3.147 24.878 4.850
299 H GLY 42 H GLY 42 3.882 23.843 0.154
300 HA2 GLY 42 1HA GLY 42 5.713 21.560 -0.059
301 HA3 GLY 42 2HA GLY 42 4.365 21.654 -1.183
302 HA PRO 43 HA PRO 43 7.930 23.744 -3.213
303 HB2 PRO 43 1HB PRO 43 7.388 22.747 -5.679
304 HB3 PRO 43 2HB PRO 43 8.340 21.870 -4.476
305 HG2 PRO 43 1HG PRO 43 5.451 21.562 -5.196
306 HG3 PRO 43 2HG PRO 43 6.666 20.309 -4.885
307 HD2 PRO 43 1HD PRO 43 4.839 21.059 -3.032
308 HD3 PRO 43 2HD PRO 43 6.471 20.510 -2.597
309 H SER 44 H SER 44 4.689 23.273 -4.630
310 HA SER 44 HA SER 44 4.550 26.165 -5.103
311 HB2 SER 44 1HB SER 44 3.478 25.703 -7.326
312 HB3 SER 44 2HB SER 44 5.184 25.261 -7.246
313 HG SER 44 HG SER 44 3.334 23.295 -6.573
314 H SER 45 H SER 45 2.830 26.919 -4.081
315 HA SER 45 HA SER 45 0.365 25.315 -4.080
316 HB2 SER 45 1HB SER 45 1.500 25.141 -1.871
317 HB3 SER 45 2HB SER 45 1.400 26.895 -1.713
318 HG SER 45 HG SER 45 -0.325 25.715 -0.669
319 H GLY 46 H GLY 46 1.686 28.543 -3.333
320 HA2 GLY 46 1HA GLY 46 0.474 30.114 -5.115
321 HA3 GLY 46 2HA GLY 46 -0.861 29.773 -4.025
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -31.027 2.314 7.167
2 HA2 GLY 1 1HA GLY 1 -32.395 2.843 4.610
3 HA3 GLY 1 2HA GLY 1 -31.465 4.109 5.398
4 H SER 2 H SER 2 -31.375 1.614 3.167
5 HA SER 2 HA SER 2 -28.492 1.921 2.879
6 HB2 SER 2 1HB SER 2 -27.962 -0.371 2.960
7 HB3 SER 2 2HB SER 2 -29.047 -0.139 4.330
8 HG SER 2 HG SER 2 -30.726 -0.743 2.629
9 H SER 3 H SER 3 -28.093 2.380 0.828
10 HA SER 3 HA SER 3 -29.515 0.973 -1.290
11 HB2 SER 3 1HB SER 3 -30.932 2.886 -1.066
12 HB3 SER 3 2HB SER 3 -29.550 3.976 -0.951
13 HG SER 3 HG SER 3 -29.044 3.314 -3.140
14 H GLY 4 H GLY 4 -27.950 0.167 -2.516
15 HA2 GLY 4 1HA GLY 4 -26.303 0.733 -4.244
16 HA3 GLY 4 2HA GLY 4 -25.625 1.891 -3.109
17 H SER 5 H SER 5 -25.237 -1.116 -4.430
18 HA SER 5 HA SER 5 -23.630 -2.036 -2.137
19 HB2 SER 5 1HB SER 5 -25.091 -3.646 -4.240
20 HB3 SER 5 2HB SER 5 -23.934 -4.342 -3.106
21 HG SER 5 HG SER 5 -26.119 -4.499 -2.383
22 H SER 6 H SER 6 -21.854 -0.775 -2.925
23 HA SER 6 HA SER 6 -20.428 -2.119 -5.114
24 HB2 SER 6 1HB SER 6 -20.561 0.880 -4.714
25 HB3 SER 6 2HB SER 6 -19.605 0.044 -5.937
26 HG SER 6 HG SER 6 -21.860 -0.895 -6.441
27 H GLY 7 H GLY 7 -18.839 -3.120 -4.030
28 HA2 GLY 7 1HA GLY 7 -16.753 -1.587 -2.843
29 HA3 GLY 7 2HA GLY 7 -17.705 -2.403 -1.611
30 H THR 8 H THR 8 -16.466 -3.310 -4.830
31 HA THR 8 HA THR 8 -15.732 -5.925 -3.787
32 HB THR 8 HB THR 8 -15.500 -4.860 -6.608
33 HG1 THR 8 HG1 THR 8 -17.378 -6.534 -6.667
34 HG21 THR 8 3HG2 THR 8 -14.221 -7.020 -5.564
35 HG22 THR 8 1HG2 THR 8 -14.706 -6.871 -7.252
36 HG23 THR 8 2HG2 THR 8 -15.729 -7.750 -6.114
37 H GLY 9 H GLY 9 -13.802 -6.199 -2.885
38 HA2 GLY 9 1HA GLY 9 -11.417 -5.312 -4.253
39 HA3 GLY 9 2HA GLY 9 -11.700 -4.500 -2.720
40 H GLU 10 H GLU 10 -11.702 -7.813 -4.045
41 HA GLU 10 HA GLU 10 -10.944 -8.928 -1.505
42 HB2 GLU 10 1HB GLU 10 -11.058 -10.220 -4.236
43 HB3 GLU 10 2HB GLU 10 -10.885 -11.068 -2.706
44 HG2 GLU 10 1HG GLU 10 -13.071 -10.544 -2.040
45 HG3 GLU 10 2HG GLU 10 -13.241 -9.309 -3.287
46 H LYS 11 H LYS 11 -8.972 -7.870 -1.057
47 HA LYS 11 HA LYS 11 -6.687 -9.069 -2.442
48 HB2 LYS 11 1HB LYS 11 -7.162 -6.129 -2.013
49 HB3 LYS 11 2HB LYS 11 -5.536 -6.776 -2.186
50 HG2 LYS 11 1HG LYS 11 -5.945 -6.236 -4.349
51 HG3 LYS 11 2HG LYS 11 -6.600 -7.875 -4.346
52 HD2 LYS 11 1HD LYS 11 -8.844 -6.993 -3.992
53 HD3 LYS 11 2HD LYS 11 -8.203 -5.350 -3.937
54 HE2 LYS 11 1HE LYS 11 -7.618 -5.394 -6.218
55 HE3 LYS 11 2HE LYS 11 -7.802 -7.144 -6.314
56 HZ1 LYS 11 3HZ LYS 11 -10.254 -6.436 -5.580
57 HZ2 LYS 11 1HZ LYS 11 -9.777 -6.579 -7.197
58 HZ3 LYS 11 2HZ LYS 11 -9.817 -5.058 -6.459
59 HA PRO 12 HA PRO 12 -5.414 -9.806 1.722
60 HB2 PRO 12 1HB PRO 12 -2.842 -10.503 1.206
61 HB3 PRO 12 2HB PRO 12 -4.211 -11.569 0.872
62 HG2 PRO 12 1HG PRO 12 -2.690 -9.798 -1.001
63 HG3 PRO 12 2HG PRO 12 -3.257 -11.460 -1.246
64 HD2 PRO 12 1HD PRO 12 -4.561 -9.312 -2.256
65 HD3 PRO 12 2HD PRO 12 -5.405 -10.787 -1.743
66 H TYR 13 H TYR 13 -4.560 -7.194 -0.112
67 HA TYR 13 HA TYR 13 -3.115 -5.988 2.135
68 HB2 TYR 13 1HB TYR 13 -2.262 -5.665 -0.749
69 HB3 TYR 13 2HB TYR 13 -1.491 -4.947 0.661
70 HD1 TYR 13 HD1 TYR 13 -0.147 -6.319 2.178
71 HD2 TYR 13 HD2 TYR 13 -1.909 -7.983 -1.319
72 HE1 TYR 13 HE1 TYR 13 1.324 -8.280 2.377
73 HE2 TYR 13 HE2 TYR 13 -0.443 -9.949 -1.129
74 HH TYR 13 HH TYR 13 2.083 -10.245 0.129
75 H LYS 14 H LYS 14 -3.603 -3.876 2.524
76 HA LYS 14 HA LYS 14 -5.025 -2.287 0.571
77 HB2 LYS 14 1HB LYS 14 -6.815 -3.649 1.625
78 HB3 LYS 14 2HB LYS 14 -6.358 -2.995 3.192
79 HG2 LYS 14 1HG LYS 14 -6.989 -0.775 2.499
80 HG3 LYS 14 2HG LYS 14 -7.327 -1.348 0.865
81 HD2 LYS 14 1HD LYS 14 -9.059 -2.865 1.845
82 HD3 LYS 14 2HD LYS 14 -8.794 -2.071 3.399
83 HE2 LYS 14 1HE LYS 14 -9.472 -0.498 0.936
84 HE3 LYS 14 2HE LYS 14 -10.730 -1.248 1.918
85 HZ1 LYS 14 3HZ LYS 14 -10.136 1.139 2.443
86 HZ2 LYS 14 1HZ LYS 14 -8.691 0.546 3.091
87 HZ3 LYS 14 2HZ LYS 14 -10.172 0.069 3.752
88 H CYS 15 H CYS 15 -4.549 -0.188 0.806
89 HA CYS 15 HA CYS 15 -2.736 0.619 2.867
90 HB2 CYS 15 1HB CYS 15 -2.564 1.512 0.588
91 HB3 CYS 15 2HB CYS 15 -4.149 2.260 0.754
92 H SER 16 H SER 16 -3.119 1.695 4.711
93 HA SER 16 HA SER 16 -5.917 2.298 5.359
94 HB2 SER 16 1HB SER 16 -3.494 1.777 7.083
95 HB3 SER 16 2HB SER 16 -5.007 2.400 7.739
96 HG SER 16 HG SER 16 -6.030 0.531 7.137
97 H ASP 17 H ASP 17 -4.535 4.096 3.690
98 HA ASP 17 HA ASP 17 -4.491 6.462 5.431
99 HB2 ASP 17 1HB ASP 17 -2.388 5.536 3.534
100 HB3 ASP 17 2HB ASP 17 -2.703 7.267 3.626
101 H CYS 18 H CYS 18 -4.731 5.232 2.115
102 HA CYS 18 HA CYS 18 -6.457 7.532 1.471
103 HB2 CYS 18 1HB CYS 18 -5.804 7.200 -0.884
104 HB3 CYS 18 2HB CYS 18 -4.413 7.538 0.140
105 H GLY 19 H GLY 19 -5.941 4.066 0.898
106 HA2 GLY 19 1HA GLY 19 -7.913 2.626 1.244
107 HA3 GLY 19 2HA GLY 19 -8.841 3.838 0.374
108 H LYS 20 H LYS 20 -5.769 2.136 -0.243
109 HA LYS 20 HA LYS 20 -6.834 1.413 -2.895
110 HB2 LYS 20 1HB LYS 20 -4.148 2.351 -2.007
111 HB3 LYS 20 2HB LYS 20 -4.218 1.191 -3.326
112 HG2 LYS 20 1HG LYS 20 -5.770 2.737 -4.513
113 HG3 LYS 20 2HG LYS 20 -5.483 3.919 -3.234
114 HD2 LYS 20 1HD LYS 20 -3.211 4.145 -3.809
115 HD3 LYS 20 2HD LYS 20 -3.233 2.683 -4.798
116 HE2 LYS 20 1HE LYS 20 -3.270 4.402 -6.367
117 HE3 LYS 20 2HE LYS 20 -4.964 3.933 -6.232
118 HZ1 LYS 20 3HZ LYS 20 -3.636 6.311 -5.071
119 HZ2 LYS 20 1HZ LYS 20 -5.162 5.787 -4.560
120 HZ3 LYS 20 2HZ LYS 20 -4.926 6.265 -6.165
121 H SER 21 H SER 21 -6.664 -0.674 -3.588
122 HA SER 21 HA SER 21 -5.697 -2.615 -1.598
123 HB2 SER 21 1HB SER 21 -7.675 -3.073 -3.843
124 HB3 SER 21 2HB SER 21 -7.250 -4.213 -2.567
125 HG SER 21 HG SER 21 -8.604 -3.244 -1.292
126 H PHE 22 H PHE 22 -3.936 -3.743 -2.061
127 HA PHE 22 HA PHE 22 -3.106 -3.950 -4.881
128 HB2 PHE 22 1HB PHE 22 -1.346 -3.914 -2.421
129 HB3 PHE 22 2HB PHE 22 -0.789 -4.031 -4.087
130 HD1 PHE 22 HD1 PHE 22 -2.709 -1.821 -1.796
131 HD2 PHE 22 HD2 PHE 22 -0.270 -2.112 -5.272
132 HE1 PHE 22 HE1 PHE 22 -2.614 0.634 -1.930
133 HE2 PHE 22 HE2 PHE 22 -0.170 0.342 -5.411
134 HZ PHE 22 HZ PHE 22 -1.342 1.719 -3.739
135 H THR 23 H THR 23 -1.710 -5.871 -5.341
136 HA THR 23 HA THR 23 -2.927 -8.231 -4.119
137 HB THR 23 HB THR 23 -1.185 -8.042 -6.585
138 HG1 THR 23 HG1 THR 23 -2.990 -7.717 -7.672
139 HG21 THR 23 3HG2 THR 23 -2.044 -10.299 -7.063
140 HG22 THR 23 1HG2 THR 23 -2.881 -10.300 -5.512
141 HG23 THR 23 2HG2 THR 23 -1.118 -10.253 -5.563
142 H TRP 24 H TRP 24 0.237 -6.789 -4.732
143 HA TRP 24 HA TRP 24 1.509 -8.922 -3.172
144 HB2 TRP 24 1HB TRP 24 2.657 -6.794 -4.985
145 HB3 TRP 24 2HB TRP 24 3.647 -7.873 -4.006
146 HD1 TRP 24 HD1 TRP 24 0.803 -8.318 -6.628
147 HE1 TRP 24 HE1 TRP 24 1.432 -10.309 -8.133
148 HE3 TRP 24 HE3 TRP 24 5.204 -9.662 -4.400
149 HZ2 TRP 24 HZ2 TRP 24 3.517 -12.200 -8.347
150 HZ3 TRP 24 HZ3 TRP 24 6.453 -11.573 -5.316
151 HH2 TRP 24 HH2 TRP 24 5.625 -12.815 -7.248
152 H LYS 25 H LYS 25 2.900 -8.436 -1.427
153 HA LYS 25 HA LYS 25 1.987 -6.302 0.228
154 HB2 LYS 25 1HB LYS 25 2.864 -8.603 0.953
155 HB3 LYS 25 2HB LYS 25 4.472 -7.934 0.710
156 HG2 LYS 25 1HG LYS 25 2.457 -6.608 2.492
157 HG3 LYS 25 2HG LYS 25 3.525 -7.889 3.069
158 HD2 LYS 25 1HD LYS 25 5.409 -6.425 2.042
159 HD3 LYS 25 2HD LYS 25 4.210 -5.133 2.121
160 HE2 LYS 25 1HE LYS 25 5.226 -4.884 4.160
161 HE3 LYS 25 2HE LYS 25 3.921 -5.990 4.587
162 HZ1 LYS 25 3HZ LYS 25 6.515 -6.403 5.143
163 HZ2 LYS 25 1HZ LYS 25 6.347 -7.285 3.709
164 HZ3 LYS 25 2HZ LYS 25 5.355 -7.629 5.034
165 H SER 26 H SER 26 5.027 -6.952 -1.488
166 HA SER 26 HA SER 26 6.507 -4.777 -0.637
167 HB2 SER 26 1HB SER 26 6.478 -6.179 -3.315
168 HB3 SER 26 2HB SER 26 7.680 -4.968 -2.870
169 HG SER 26 HG SER 26 7.283 -7.550 -1.843
170 H ARG 27 H ARG 27 4.331 -4.968 -3.446
171 HA ARG 27 HA ARG 27 4.646 -2.446 -4.484
172 HB2 ARG 27 1HB ARG 27 2.032 -3.944 -4.225
173 HB3 ARG 27 2HB ARG 27 2.374 -2.651 -5.367
174 HG2 ARG 27 1HG ARG 27 4.009 -5.158 -5.340
175 HG3 ARG 27 2HG ARG 27 2.467 -5.076 -6.193
176 HD2 ARG 27 1HD ARG 27 4.849 -3.280 -6.640
177 HD3 ARG 27 2HD ARG 27 4.327 -4.594 -7.694
178 HE ARG 27 HE ARG 27 2.196 -2.804 -7.363
179 HH11 ARG 27 1HH1 ARG 27 5.345 -2.959 -8.840
180 HH12 ARG 27 2HH1 ARG 27 4.958 -1.823 -10.090
181 HH21 ARG 27 1HH2 ARG 27 1.675 -1.306 -9.003
182 HH22 ARG 27 2HH2 ARG 27 2.871 -0.882 -10.181
183 H LEU 28 H LEU 28 2.391 -3.420 -1.909
184 HA LEU 28 HA LEU 28 1.155 -0.999 -1.442
185 HB2 LEU 28 1HB LEU 28 0.411 -2.996 -0.352
186 HB3 LEU 28 2HB LEU 28 1.947 -3.163 0.497
187 HG LEU 28 HG LEU 28 1.389 -1.038 1.717
188 HD11 LEU 28 1HD1 LEU 28 -1.452 -1.465 0.927
189 HD12 LEU 28 2HD1 LEU 28 -0.402 -0.505 -0.115
190 HD13 LEU 28 3HD1 LEU 28 -0.661 -0.022 1.562
191 HD21 LEU 28 3HD2 LEU 28 -0.551 -3.321 2.064
192 HD22 LEU 28 1HD2 LEU 28 -0.109 -2.123 3.281
193 HD23 LEU 28 2HD2 LEU 28 1.095 -3.275 2.699
194 H ARG 29 H ARG 29 4.135 -2.225 0.073
195 HA ARG 29 HA ARG 29 4.684 -0.075 1.729
196 HB2 ARG 29 1HB ARG 29 6.460 -2.040 0.310
197 HB3 ARG 29 2HB ARG 29 7.142 -0.767 1.313
198 HG2 ARG 29 1HG ARG 29 5.726 -1.614 3.195
199 HG3 ARG 29 2HG ARG 29 5.301 -2.984 2.168
200 HD2 ARG 29 1HD ARG 29 7.101 -3.673 3.568
201 HD3 ARG 29 2HD ARG 29 7.748 -3.460 1.942
202 HE ARG 29 HE ARG 29 8.274 -1.083 3.032
203 HH11 ARG 29 1HH1 ARG 29 8.760 -4.312 4.239
204 HH12 ARG 29 2HH1 ARG 29 10.146 -3.889 5.188
205 HH21 ARG 29 1HH2 ARG 29 10.098 -0.513 4.277
206 HH22 ARG 29 2HH2 ARG 29 10.905 -1.727 5.210
207 H ILE 30 H ILE 30 5.869 -0.599 -1.592
208 HA ILE 30 HA ILE 30 7.256 1.801 -1.869
209 HB ILE 30 HB ILE 30 5.814 0.241 -4.017
210 HG12 ILE 30 1HG1 ILE 30 8.764 0.139 -3.554
211 HG13 ILE 30 2HG1 ILE 30 7.713 -0.791 -2.491
212 HG21 ILE 30 1HG2 ILE 30 6.432 2.609 -4.586
213 HG22 ILE 30 2HG2 ILE 30 8.117 2.148 -4.352
214 HG23 ILE 30 3HG2 ILE 30 7.158 1.374 -5.614
215 HD11 ILE 30 3HD1 ILE 30 8.011 -2.381 -4.042
216 HD12 ILE 30 1HD1 ILE 30 6.732 -1.514 -4.890
217 HD13 ILE 30 2HD1 ILE 30 8.421 -1.223 -5.306
218 H HIS 31 H HIS 31 3.842 1.099 -2.164
219 HA HIS 31 HA HIS 31 3.152 3.593 -3.391
220 HB2 HIS 31 1HB HIS 31 1.573 1.946 -3.827
221 HB3 HIS 31 2HB HIS 31 1.619 1.322 -2.180
222 HD1 HIS 31 HD1 HIS 31 0.319 4.326 -4.094
223 HD2 HIS 31 HD2 HIS 31 -0.370 2.246 -0.565
224 HE1 HIS 31 HE1 HIS 31 -1.755 5.348 -3.106
225 H GLN 32 H GLN 32 3.195 2.334 -0.096
226 HA GLN 32 HA GLN 32 1.821 4.257 1.281
227 HB2 GLN 32 1HB GLN 32 4.212 2.596 1.948
228 HB3 GLN 32 2HB GLN 32 3.723 3.858 3.070
229 HG2 GLN 32 1HG GLN 32 1.702 1.902 2.082
230 HG3 GLN 32 2HG GLN 32 2.835 1.431 3.348
231 HE21 GLN 32 1HE2 GLN 32 0.423 1.275 4.182
232 HE22 GLN 32 2HE2 GLN 32 -0.071 2.626 5.138
233 H LYS 33 H LYS 33 5.356 4.353 0.795
234 HA LYS 33 HA LYS 33 5.777 6.929 1.723
235 HB2 LYS 33 1HB LYS 33 7.906 6.826 0.726
236 HB3 LYS 33 2HB LYS 33 7.500 5.152 1.081
237 HG2 LYS 33 1HG LYS 33 6.574 5.238 -1.398
238 HG3 LYS 33 2HG LYS 33 7.768 6.531 -1.529
239 HD2 LYS 33 1HD LYS 33 8.530 3.914 -0.298
240 HD3 LYS 33 2HD LYS 33 8.452 4.070 -2.054
241 HE2 LYS 33 1HE LYS 33 10.126 5.725 -2.084
242 HE3 LYS 33 2HE LYS 33 9.997 6.001 -0.347
243 HZ1 LYS 33 3HZ LYS 33 11.859 4.716 -0.428
244 HZ2 LYS 33 1HZ LYS 33 11.360 3.848 -1.792
245 HZ3 LYS 33 2HZ LYS 33 10.700 3.493 -0.275
246 H CYS 34 H CYS 34 4.749 5.832 -1.455
247 HA CYS 34 HA CYS 34 5.112 8.042 -3.017
248 HB2 CYS 34 1HB CYS 34 4.005 5.783 -3.588
249 HB3 CYS 34 2HB CYS 34 2.504 6.542 -3.072
250 HG CYS 34 HG CYS 34 4.319 8.240 -5.349
251 H HIS 35 H HIS 35 3.085 7.758 -0.267
252 HA HIS 35 HA HIS 35 1.316 9.922 -0.923
253 HB2 HIS 35 1HB HIS 35 1.854 8.355 1.592
254 HB3 HIS 35 2HB HIS 35 0.775 9.747 1.585
255 HD1 HIS 35 HD1 HIS 35 -1.157 9.488 -0.453
256 HD2 HIS 35 HD2 HIS 35 0.519 6.053 1.175
257 HE1 HIS 35 HE1 HIS 35 -2.767 7.633 -0.994
258 H THR 36 H THR 36 3.756 10.909 -1.405
259 HA THR 36 HA THR 36 4.111 12.860 0.763
260 HB THR 36 HB THR 36 5.952 11.238 0.925
261 HG1 THR 36 HG1 THR 36 7.161 13.521 -0.174
262 HG21 THR 36 3HG2 THR 36 6.377 10.324 -1.137
263 HG22 THR 36 1HG2 THR 36 7.669 11.521 -1.063
264 HG23 THR 36 2HG2 THR 36 6.200 11.863 -1.978
265 H GLY 37 H GLY 37 4.611 14.946 0.125
266 HA2 GLY 37 1HA GLY 37 5.109 16.676 -1.367
267 HA3 GLY 37 2HA GLY 37 5.122 15.509 -2.681
268 H GLU 38 H GLU 38 3.798 16.595 -4.078
269 HA GLU 38 HA GLU 38 1.411 17.902 -3.377
270 HB2 GLU 38 1HB GLU 38 2.752 18.121 -5.535
271 HB3 GLU 38 2HB GLU 38 1.956 16.645 -6.062
272 HG2 GLU 38 1HG GLU 38 0.675 18.332 -7.002
273 HG3 GLU 38 2HG GLU 38 -0.234 17.870 -5.564
274 H ARG 39 H ARG 39 -0.589 17.195 -2.982
275 HA ARG 39 HA ARG 39 -1.137 14.332 -3.397
276 HB2 ARG 39 1HB ARG 39 -1.140 15.059 -1.041
277 HB3 ARG 39 2HB ARG 39 -2.391 16.237 -1.413
278 HG2 ARG 39 1HG ARG 39 -3.971 14.514 -1.893
279 HG3 ARG 39 2HG ARG 39 -2.723 13.271 -1.784
280 HD2 ARG 39 1HD ARG 39 -3.829 13.141 0.267
281 HD3 ARG 39 2HD ARG 39 -2.388 14.094 0.619
282 HE ARG 39 HE ARG 39 -5.133 14.999 0.665
283 HH11 ARG 39 1HH1 ARG 39 -1.773 15.903 0.549
284 HH12 ARG 39 2HH1 ARG 39 -2.046 17.498 1.168
285 HH21 ARG 39 1HH2 ARG 39 -5.505 17.097 1.480
286 HH22 ARG 39 2HH2 ARG 39 -4.169 18.176 1.698
287 H HIS 40 H HIS 40 -2.584 13.823 -4.893
288 HA HIS 40 HA HIS 40 -4.423 15.911 -5.841
289 HB2 HIS 40 1HB HIS 40 -2.930 14.979 -7.548
290 HB3 HIS 40 2HB HIS 40 -3.523 13.358 -7.195
291 HD2 HIS 40 HD2 HIS 40 -5.373 12.608 -9.000
292 HE1 HIS 40 HE1 HIS 40 -6.916 16.446 -9.939
293 HE2 HIS 40 HE2 HIS 40 -7.108 13.969 -10.353
294 H SER 41 H SER 41 -5.129 14.707 -3.471
295 HA SER 41 HA SER 41 -7.590 13.358 -4.259
296 HB2 SER 41 1HB SER 41 -5.947 11.550 -3.780
297 HB3 SER 41 2HB SER 41 -5.751 12.198 -2.152
298 HG SER 41 HG SER 41 -8.055 11.039 -3.314
299 H GLY 42 H GLY 42 -9.151 13.218 -2.450
300 HA2 GLY 42 1HA GLY 42 -8.662 14.824 -0.105
301 HA3 GLY 42 2HA GLY 42 -9.721 15.598 -1.274
302 HA PRO 43 HA PRO 43 -11.919 11.600 0.416
303 HB2 PRO 43 1HB PRO 43 -10.994 10.740 2.819
304 HB3 PRO 43 2HB PRO 43 -10.377 10.131 1.278
305 HG2 PRO 43 1HG PRO 43 -9.218 12.209 3.094
306 HG3 PRO 43 2HG PRO 43 -8.399 10.893 2.234
307 HD2 PRO 43 1HD PRO 43 -8.381 13.449 1.342
308 HD3 PRO 43 2HD PRO 43 -8.351 12.054 0.244
309 H SER 44 H SER 44 -11.195 14.546 1.693
310 HA SER 44 HA SER 44 -13.046 14.403 3.942
311 HB2 SER 44 1HB SER 44 -11.466 16.774 2.917
312 HB3 SER 44 2HB SER 44 -12.324 16.669 4.454
313 HG SER 44 HG SER 44 -9.940 15.427 3.651
314 H SER 45 H SER 45 -14.636 16.254 4.148
315 HA SER 45 HA SER 45 -16.440 17.428 3.398
316 HB2 SER 45 1HB SER 45 -14.730 18.473 1.847
317 HB3 SER 45 2HB SER 45 -15.232 17.299 0.631
318 HG SER 45 HG SER 45 -17.181 18.244 0.496
319 H GLY 46 H GLY 46 -16.632 14.679 3.665
320 HA2 GLY 46 1HA GLY 46 -17.983 13.643 1.303
321 HA3 GLY 46 2HA GLY 46 -17.662 12.765 2.791
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -20.704 10.315 -7.130
2 HA2 GLY 1 1HA GLY 1 -18.922 11.346 -9.050
3 HA3 GLY 1 2HA GLY 1 -18.006 10.897 -7.619
4 H SER 2 H SER 2 -17.929 9.758 -10.314
5 HA SER 2 HA SER 2 -19.149 7.142 -10.069
6 HB2 SER 2 1HB SER 2 -18.729 8.580 -12.241
7 HB3 SER 2 2HB SER 2 -17.148 7.800 -12.196
8 HG SER 2 HG SER 2 -18.250 5.783 -12.171
9 H SER 3 H SER 3 -18.084 5.208 -9.778
10 HA SER 3 HA SER 3 -15.671 5.320 -8.247
11 HB2 SER 3 1HB SER 3 -15.970 2.997 -7.883
12 HB3 SER 3 2HB SER 3 -17.601 3.663 -7.960
13 HG SER 3 HG SER 3 -17.760 2.920 -10.081
14 H GLY 4 H GLY 4 -13.849 3.733 -8.763
15 HA2 GLY 4 1HA GLY 4 -13.036 4.219 -11.545
16 HA3 GLY 4 2HA GLY 4 -11.949 3.898 -10.202
17 H SER 5 H SER 5 -14.746 2.254 -11.691
18 HA SER 5 HA SER 5 -15.099 0.062 -12.208
19 HB2 SER 5 1HB SER 5 -12.300 0.598 -13.131
20 HB3 SER 5 2HB SER 5 -12.941 -1.042 -13.234
21 HG SER 5 HG SER 5 -14.836 0.286 -14.238
22 H SER 6 H SER 6 -14.604 0.494 -9.499
23 HA SER 6 HA SER 6 -12.950 -1.810 -8.719
24 HB2 SER 6 1HB SER 6 -12.517 0.542 -7.756
25 HB3 SER 6 2HB SER 6 -13.993 0.288 -6.824
26 HG SER 6 HG SER 6 -11.522 -0.664 -6.369
27 H GLY 7 H GLY 7 -14.067 -3.615 -8.408
28 HA2 GLY 7 1HA GLY 7 -16.621 -3.436 -6.951
29 HA3 GLY 7 2HA GLY 7 -16.520 -4.376 -8.433
30 H THR 8 H THR 8 -16.469 -6.470 -8.011
31 HA THR 8 HA THR 8 -15.854 -7.590 -5.512
32 HB THR 8 HB THR 8 -17.226 -8.902 -6.902
33 HG1 THR 8 HG1 THR 8 -15.920 -10.837 -7.195
34 HG21 THR 8 3HG2 THR 8 -15.404 -8.027 -8.985
35 HG22 THR 8 1HG2 THR 8 -17.073 -8.583 -9.110
36 HG23 THR 8 2HG2 THR 8 -15.753 -9.753 -9.093
37 H GLY 9 H GLY 9 -13.931 -7.658 -4.559
38 HA2 GLY 9 1HA GLY 9 -11.678 -8.878 -5.786
39 HA3 GLY 9 2HA GLY 9 -11.476 -7.133 -5.743
40 H GLU 10 H GLU 10 -11.083 -10.009 -4.046
41 HA GLU 10 HA GLU 10 -10.845 -8.596 -1.477
42 HB2 GLU 10 1HB GLU 10 -12.271 -10.776 -1.847
43 HB3 GLU 10 2HB GLU 10 -10.711 -11.576 -1.710
44 HG2 GLU 10 1HG GLU 10 -10.503 -10.128 0.460
45 HG3 GLU 10 2HG GLU 10 -12.261 -10.077 0.340
46 H LYS 11 H LYS 11 -8.822 -7.719 -1.596
47 HA LYS 11 HA LYS 11 -6.578 -9.525 -2.175
48 HB2 LYS 11 1HB LYS 11 -6.431 -6.527 -1.892
49 HB3 LYS 11 2HB LYS 11 -5.259 -7.602 -2.643
50 HG2 LYS 11 1HG LYS 11 -8.023 -7.401 -3.755
51 HG3 LYS 11 2HG LYS 11 -6.823 -6.159 -4.122
52 HD2 LYS 11 1HD LYS 11 -6.410 -7.579 -5.856
53 HD3 LYS 11 2HD LYS 11 -5.337 -8.297 -4.652
54 HE2 LYS 11 1HE LYS 11 -6.535 -10.093 -5.604
55 HE3 LYS 11 2HE LYS 11 -7.269 -9.806 -4.027
56 HZ1 LYS 11 3HZ LYS 11 -8.368 -8.581 -6.481
57 HZ2 LYS 11 1HZ LYS 11 -9.130 -8.823 -4.990
58 HZ3 LYS 11 2HZ LYS 11 -8.813 -10.141 -6.001
59 HA PRO 12 HA PRO 12 -5.483 -9.682 2.088
60 HB2 PRO 12 1HB PRO 12 -2.862 -10.334 1.824
61 HB3 PRO 12 2HB PRO 12 -4.172 -11.483 1.528
62 HG2 PRO 12 1HG PRO 12 -2.579 -9.879 -0.434
63 HG3 PRO 12 2HG PRO 12 -3.078 -11.579 -0.522
64 HD2 PRO 12 1HD PRO 12 -4.372 -9.610 -1.856
65 HD3 PRO 12 2HD PRO 12 -5.205 -11.048 -1.232
66 H TYR 13 H TYR 13 -4.581 -7.264 0.023
67 HA TYR 13 HA TYR 13 -3.224 -5.806 2.186
68 HB2 TYR 13 1HB TYR 13 -2.487 -5.598 -0.739
69 HB3 TYR 13 2HB TYR 13 -1.704 -4.777 0.607
70 HD1 TYR 13 HD1 TYR 13 -0.242 -6.009 2.135
71 HD2 TYR 13 HD2 TYR 13 -2.036 -7.921 -1.216
72 HE1 TYR 13 HE1 TYR 13 1.333 -7.884 2.370
73 HE2 TYR 13 HE2 TYR 13 -0.467 -9.801 -0.990
74 HH TYR 13 HH TYR 13 2.160 -9.866 0.252
75 H LYS 14 H LYS 14 -3.517 -3.523 2.164
76 HA LYS 14 HA LYS 14 -5.084 -2.143 0.278
77 HB2 LYS 14 1HB LYS 14 -6.829 -3.662 1.298
78 HB3 LYS 14 2HB LYS 14 -6.590 -2.799 2.811
79 HG2 LYS 14 1HG LYS 14 -7.242 -0.705 1.682
80 HG3 LYS 14 2HG LYS 14 -7.566 -1.630 0.214
81 HD2 LYS 14 1HD LYS 14 -9.669 -1.537 1.135
82 HD3 LYS 14 2HD LYS 14 -9.078 -3.052 1.821
83 HE2 LYS 14 1HE LYS 14 -8.240 -1.503 3.754
84 HE3 LYS 14 2HE LYS 14 -9.455 -0.391 3.125
85 HZ1 LYS 14 3HZ LYS 14 -11.142 -1.697 3.820
86 HZ2 LYS 14 1HZ LYS 14 -9.995 -2.227 4.945
87 HZ3 LYS 14 2HZ LYS 14 -10.304 -3.143 3.557
88 H CYS 15 H CYS 15 -4.241 -0.183 0.453
89 HA CYS 15 HA CYS 15 -2.831 0.755 2.693
90 HB2 CYS 15 1HB CYS 15 -2.464 1.588 0.400
91 HB3 CYS 15 2HB CYS 15 -4.048 2.357 0.433
92 H SER 16 H SER 16 -3.373 2.024 4.398
93 HA SER 16 HA SER 16 -6.227 2.369 4.903
94 HB2 SER 16 1HB SER 16 -4.435 1.374 6.552
95 HB3 SER 16 2HB SER 16 -4.108 3.071 6.902
96 HG SER 16 HG SER 16 -5.960 3.225 7.907
97 H ASP 17 H ASP 17 -3.426 4.199 4.101
98 HA ASP 17 HA ASP 17 -4.108 6.712 5.128
99 HB2 ASP 17 1HB ASP 17 -1.892 6.198 4.201
100 HB3 ASP 17 2HB ASP 17 -2.593 6.062 2.591
101 H CYS 18 H CYS 18 -4.656 5.428 1.845
102 HA CYS 18 HA CYS 18 -6.763 7.454 1.499
103 HB2 CYS 18 1HB CYS 18 -6.468 7.024 -0.949
104 HB3 CYS 18 2HB CYS 18 -5.041 7.693 -0.165
105 H GLY 19 H GLY 19 -5.975 4.062 0.748
106 HA2 GLY 19 1HA GLY 19 -7.738 2.452 1.504
107 HA3 GLY 19 2HA GLY 19 -8.880 3.518 0.698
108 H LYS 20 H LYS 20 -5.702 2.628 -0.527
109 HA LYS 20 HA LYS 20 -6.950 1.622 -2.953
110 HB2 LYS 20 1HB LYS 20 -4.857 3.177 -2.761
111 HB3 LYS 20 2HB LYS 20 -3.989 1.674 -2.479
112 HG2 LYS 20 1HG LYS 20 -5.064 0.848 -4.639
113 HG3 LYS 20 2HG LYS 20 -5.486 2.537 -4.929
114 HD2 LYS 20 1HD LYS 20 -2.977 2.989 -4.472
115 HD3 LYS 20 2HD LYS 20 -2.778 1.262 -4.773
116 HE2 LYS 20 1HE LYS 20 -4.102 3.194 -6.673
117 HE3 LYS 20 2HE LYS 20 -2.420 2.677 -6.783
118 HZ1 LYS 20 3HZ LYS 20 -4.572 0.669 -6.718
119 HZ2 LYS 20 1HZ LYS 20 -3.020 0.552 -7.383
120 HZ3 LYS 20 2HZ LYS 20 -4.208 1.466 -8.166
121 H SER 21 H SER 21 -6.726 -0.452 -3.755
122 HA SER 21 HA SER 21 -6.005 -2.469 -1.754
123 HB2 SER 21 1HB SER 21 -7.601 -2.728 -4.314
124 HB3 SER 21 2HB SER 21 -7.290 -4.037 -3.174
125 HG SER 21 HG SER 21 -8.546 -3.035 -1.674
126 H PHE 22 H PHE 22 -4.359 -3.860 -2.028
127 HA PHE 22 HA PHE 22 -2.987 -3.885 -4.631
128 HB2 PHE 22 1HB PHE 22 -1.574 -3.973 -1.962
129 HB3 PHE 22 2HB PHE 22 -0.840 -3.838 -3.557
130 HD1 PHE 22 HD1 PHE 22 -3.155 -2.053 -1.256
131 HD2 PHE 22 HD2 PHE 22 -0.299 -1.755 -4.398
132 HE1 PHE 22 HE1 PHE 22 -3.205 0.399 -1.064
133 HE2 PHE 22 HE2 PHE 22 -0.344 0.698 -4.211
134 HZ PHE 22 HZ PHE 22 -1.798 1.778 -2.542
135 H THR 23 H THR 23 -1.798 -5.812 -5.109
136 HA THR 23 HA THR 23 -2.964 -8.171 -3.818
137 HB THR 23 HB THR 23 -1.473 -7.950 -6.440
138 HG1 THR 23 HG1 THR 23 -3.373 -7.284 -7.090
139 HG21 THR 23 3HG2 THR 23 -2.720 -10.264 -6.674
140 HG22 THR 23 1HG2 THR 23 -2.606 -10.247 -4.915
141 HG23 THR 23 2HG2 THR 23 -1.142 -10.156 -5.894
142 H TRP 24 H TRP 24 0.130 -6.707 -4.654
143 HA TRP 24 HA TRP 24 1.512 -8.842 -3.177
144 HB2 TRP 24 1HB TRP 24 2.517 -6.844 -5.209
145 HB3 TRP 24 2HB TRP 24 3.581 -7.888 -4.270
146 HD1 TRP 24 HD1 TRP 24 0.596 -8.290 -6.725
147 HE1 TRP 24 HE1 TRP 24 0.995 -10.426 -8.106
148 HE3 TRP 24 HE3 TRP 24 4.905 -9.905 -4.497
149 HZ2 TRP 24 HZ2 TRP 24 2.886 -12.518 -8.233
150 HZ3 TRP 24 HZ3 TRP 24 5.945 -11.983 -5.307
151 HH2 TRP 24 HH2 TRP 24 4.954 -13.261 -7.136
152 H LYS 25 H LYS 25 2.653 -8.414 -1.363
153 HA LYS 25 HA LYS 25 2.087 -6.173 0.183
154 HB2 LYS 25 1HB LYS 25 3.935 -6.921 1.638
155 HB3 LYS 25 2HB LYS 25 2.880 -8.247 1.168
156 HG2 LYS 25 1HG LYS 25 4.515 -8.890 -0.565
157 HG3 LYS 25 2HG LYS 25 5.586 -7.610 0.011
158 HD2 LYS 25 1HD LYS 25 6.423 -9.393 1.181
159 HD3 LYS 25 2HD LYS 25 5.216 -8.811 2.329
160 HE2 LYS 25 1HE LYS 25 3.706 -10.516 1.771
161 HE3 LYS 25 2HE LYS 25 4.559 -10.902 0.278
162 HZ1 LYS 25 3HZ LYS 25 5.518 -12.513 1.450
163 HZ2 LYS 25 1HZ LYS 25 5.001 -11.882 2.932
164 HZ3 LYS 25 2HZ LYS 25 6.422 -11.308 2.218
165 H SER 26 H SER 26 5.021 -6.900 -1.695
166 HA SER 26 HA SER 26 6.568 -4.724 -1.094
167 HB2 SER 26 1HB SER 26 7.263 -6.585 -2.581
168 HB3 SER 26 2HB SER 26 6.240 -5.922 -3.856
169 HG SER 26 HG SER 26 8.082 -4.198 -2.682
170 H ARG 27 H ARG 27 4.166 -4.893 -3.722
171 HA ARG 27 HA ARG 27 4.375 -2.361 -4.741
172 HB2 ARG 27 1HB ARG 27 1.804 -3.887 -4.282
173 HB3 ARG 27 2HB ARG 27 2.022 -2.558 -5.413
174 HG2 ARG 27 1HG ARG 27 3.532 -5.156 -5.560
175 HG3 ARG 27 2HG ARG 27 2.048 -4.815 -6.453
176 HD2 ARG 27 1HD ARG 27 4.363 -2.938 -6.648
177 HD3 ARG 27 2HD ARG 27 4.375 -4.438 -7.574
178 HE ARG 27 HE ARG 27 2.651 -3.621 -8.893
179 HH11 ARG 27 1HH1 ARG 27 3.338 -1.447 -6.262
180 HH12 ARG 27 2HH1 ARG 27 2.416 -0.141 -6.929
181 HH21 ARG 27 1HH2 ARG 27 1.435 -1.908 -9.781
182 HH22 ARG 27 2HH2 ARG 27 1.334 -0.404 -8.930
183 H LEU 28 H LEU 28 2.337 -3.364 -2.000
184 HA LEU 28 HA LEU 28 1.129 -0.969 -1.399
185 HB2 LEU 28 1HB LEU 28 0.557 -3.008 -0.255
186 HB3 LEU 28 2HB LEU 28 2.159 -3.090 0.476
187 HG LEU 28 HG LEU 28 1.636 -1.054 1.774
188 HD11 LEU 28 1HD1 LEU 28 -1.076 -1.362 0.499
189 HD12 LEU 28 2HD1 LEU 28 0.031 0.000 0.334
190 HD13 LEU 28 3HD1 LEU 28 -0.732 -0.331 1.889
191 HD21 LEU 28 3HD2 LEU 28 -0.597 -2.482 2.735
192 HD22 LEU 28 1HD2 LEU 28 1.063 -2.528 3.329
193 HD23 LEU 28 2HD2 LEU 28 0.537 -3.671 2.093
194 H ARG 29 H ARG 29 4.279 -2.131 -0.222
195 HA ARG 29 HA ARG 29 4.985 -0.060 1.433
196 HB2 ARG 29 1HB ARG 29 6.759 -1.594 -0.475
197 HB3 ARG 29 2HB ARG 29 7.345 -0.589 0.844
198 HG2 ARG 29 1HG ARG 29 6.018 -2.059 2.401
199 HG3 ARG 29 2HG ARG 29 5.769 -3.138 1.027
200 HD2 ARG 29 1HD ARG 29 8.076 -3.592 0.839
201 HD3 ARG 29 2HD ARG 29 8.504 -2.248 1.897
202 HE ARG 29 HE ARG 29 7.764 -4.895 2.689
203 HH11 ARG 29 1HH1 ARG 29 7.749 -1.549 3.650
204 HH12 ARG 29 2HH1 ARG 29 7.716 -1.901 5.346
205 HH21 ARG 29 1HH2 ARG 29 7.721 -5.372 4.920
206 HH22 ARG 29 2HH2 ARG 29 7.701 -4.076 6.067
207 H ILE 30 H ILE 30 6.031 -0.277 -1.974
208 HA ILE 30 HA ILE 30 7.106 2.210 -2.285
209 HB ILE 30 HB ILE 30 5.400 0.802 -4.342
210 HG12 ILE 30 1HG1 ILE 30 7.901 0.220 -5.081
211 HG13 ILE 30 2HG1 ILE 30 8.176 0.381 -3.350
212 HG21 ILE 30 1HG2 ILE 30 7.709 2.602 -4.948
213 HG22 ILE 30 2HG2 ILE 30 6.349 2.143 -5.971
214 HG23 ILE 30 3HG2 ILE 30 6.109 3.278 -4.642
215 HD11 ILE 30 3HD1 ILE 30 7.195 -1.842 -4.750
216 HD12 ILE 30 1HD1 ILE 30 7.374 -1.646 -3.007
217 HD13 ILE 30 2HD1 ILE 30 5.854 -1.217 -3.791
218 H HIS 31 H HIS 31 3.700 1.354 -2.245
219 HA HIS 31 HA HIS 31 2.746 3.897 -3.109
220 HB2 HIS 31 1HB HIS 31 1.359 1.916 -3.356
221 HB3 HIS 31 2HB HIS 31 1.358 1.665 -1.612
222 HD1 HIS 31 HD1 HIS 31 -0.114 3.855 -4.276
223 HD2 HIS 31 HD2 HIS 31 -0.447 3.226 -0.182
224 HE1 HIS 31 HE1 HIS 31 -2.158 5.136 -3.562
225 H GLN 32 H GLN 32 2.980 2.339 0.081
226 HA GLN 32 HA GLN 32 1.897 4.337 1.644
227 HB2 GLN 32 1HB GLN 32 4.088 2.348 2.185
228 HB3 GLN 32 2HB GLN 32 3.548 3.476 3.422
229 HG2 GLN 32 1HG GLN 32 1.499 1.848 2.023
230 HG3 GLN 32 2HG GLN 32 2.536 1.054 3.206
231 HE21 GLN 32 1HE2 GLN 32 1.796 1.034 5.195
232 HE22 GLN 32 2HE2 GLN 32 0.694 2.170 5.887
233 H LYS 33 H LYS 33 5.351 3.908 0.867
234 HA LYS 33 HA LYS 33 6.216 6.297 2.069
235 HB2 LYS 33 1HB LYS 33 8.303 5.891 1.070
236 HB3 LYS 33 2HB LYS 33 7.612 4.290 1.301
237 HG2 LYS 33 1HG LYS 33 8.349 4.063 -0.830
238 HG3 LYS 33 2HG LYS 33 6.742 4.712 -1.163
239 HD2 LYS 33 1HD LYS 33 7.861 7.013 -1.118
240 HD3 LYS 33 2HD LYS 33 9.389 6.134 -1.219
241 HE2 LYS 33 1HE LYS 33 8.888 5.276 -3.334
242 HE3 LYS 33 2HE LYS 33 7.167 5.616 -3.164
243 HZ1 LYS 33 3HZ LYS 33 9.367 7.481 -3.770
244 HZ2 LYS 33 1HZ LYS 33 7.933 8.053 -3.077
245 HZ3 LYS 33 2HZ LYS 33 7.895 7.272 -4.577
246 H CYS 34 H CYS 34 4.948 5.598 -1.120
247 HA CYS 34 HA CYS 34 5.717 7.856 -2.519
248 HB2 CYS 34 1HB CYS 34 4.485 5.886 -3.454
249 HB3 CYS 34 2HB CYS 34 3.016 6.512 -2.716
250 HG CYS 34 HG CYS 34 4.834 8.151 -5.109
251 H HIS 35 H HIS 35 2.997 7.434 -0.300
252 HA HIS 35 HA HIS 35 1.650 9.809 -0.682
253 HB2 HIS 35 1HB HIS 35 2.076 8.087 1.739
254 HB3 HIS 35 2HB HIS 35 1.177 9.596 1.873
255 HD1 HIS 35 HD1 HIS 35 -0.811 9.711 -0.151
256 HD2 HIS 35 HD2 HIS 35 0.427 6.011 1.276
257 HE1 HIS 35 HE1 HIS 35 -2.661 8.112 -0.737
258 H THR 36 H THR 36 3.093 11.484 -1.147
259 HA THR 36 HA THR 36 4.422 12.615 1.222
260 HB THR 36 HB THR 36 6.271 13.416 -0.152
261 HG1 THR 36 HG1 THR 36 6.401 12.905 -2.319
262 HG21 THR 36 3HG2 THR 36 7.209 11.502 0.514
263 HG22 THR 36 1HG2 THR 36 6.766 10.827 -1.053
264 HG23 THR 36 2HG2 THR 36 5.693 10.621 0.331
265 H GLY 37 H GLY 37 2.596 13.976 1.499
266 HA2 GLY 37 1HA GLY 37 1.468 15.962 1.275
267 HA3 GLY 37 2HA GLY 37 2.809 16.498 0.274
268 H GLU 38 H GLU 38 -0.051 14.380 0.106
269 HA GLU 38 HA GLU 38 -0.827 15.655 -2.385
270 HB2 GLU 38 1HB GLU 38 0.638 13.844 -3.139
271 HB3 GLU 38 2HB GLU 38 -0.304 12.682 -2.217
272 HG2 GLU 38 1HG GLU 38 -2.066 12.734 -3.683
273 HG3 GLU 38 2HG GLU 38 -1.673 14.350 -4.267
274 H ARG 39 H ARG 39 -3.011 15.181 -3.011
275 HA ARG 39 HA ARG 39 -4.635 14.170 -0.771
276 HB2 ARG 39 1HB ARG 39 -4.822 16.629 -1.371
277 HB3 ARG 39 2HB ARG 39 -5.549 16.115 -2.887
278 HG2 ARG 39 1HG ARG 39 -7.332 14.983 -1.623
279 HG3 ARG 39 2HG ARG 39 -6.617 15.581 -0.124
280 HD2 ARG 39 1HD ARG 39 -8.291 17.131 -0.571
281 HD3 ARG 39 2HD ARG 39 -6.840 17.909 -1.203
282 HE ARG 39 HE ARG 39 -7.919 16.526 -3.320
283 HH11 ARG 39 1HH1 ARG 39 -8.971 19.041 -1.155
284 HH12 ARG 39 2HH1 ARG 39 -10.026 19.778 -2.315
285 HH21 ARG 39 1HH2 ARG 39 -9.305 17.487 -4.856
286 HH22 ARG 39 2HH2 ARG 39 -10.216 18.892 -4.419
287 H HIS 40 H HIS 40 -4.495 12.018 -1.602
288 HA HIS 40 HA HIS 40 -6.277 11.573 -3.902
289 HB2 HIS 40 1HB HIS 40 -3.781 11.137 -4.324
290 HB3 HIS 40 2HB HIS 40 -3.966 9.753 -3.251
291 HD2 HIS 40 HD2 HIS 40 -3.363 8.237 -5.651
292 HE1 HIS 40 HE1 HIS 40 -7.267 8.756 -7.229
293 HE2 HIS 40 HE2 HIS 40 -5.133 7.424 -7.353
294 H SER 41 H SER 41 -8.040 11.222 -2.531
295 HA SER 41 HA SER 41 -7.845 8.904 -0.733
296 HB2 SER 41 1HB SER 41 -9.671 11.293 -0.801
297 HB3 SER 41 2HB SER 41 -10.135 9.830 0.067
298 HG SER 41 HG SER 41 -8.969 10.617 1.620
299 H GLY 42 H GLY 42 -8.362 7.085 -1.776
300 HA2 GLY 42 1HA GLY 42 -9.759 5.534 -2.769
301 HA3 GLY 42 2HA GLY 42 -11.009 6.768 -2.840
302 HA PRO 43 HA PRO 43 -9.224 5.851 -7.109
303 HB2 PRO 43 1HB PRO 43 -11.500 4.851 -8.198
304 HB3 PRO 43 2HB PRO 43 -10.307 3.842 -7.372
305 HG2 PRO 43 1HG PRO 43 -12.890 4.949 -6.340
306 HG3 PRO 43 2HG PRO 43 -12.202 3.328 -6.127
307 HD2 PRO 43 1HD PRO 43 -12.057 5.236 -4.211
308 HD3 PRO 43 2HD PRO 43 -10.791 4.012 -4.438
309 H SER 44 H SER 44 -11.412 7.821 -5.600
310 HA SER 44 HA SER 44 -13.098 9.010 -7.281
311 HB2 SER 44 1HB SER 44 -11.068 10.556 -5.650
312 HB3 SER 44 2HB SER 44 -12.615 11.170 -6.232
313 HG SER 44 HG SER 44 -12.059 9.591 -4.067
314 H SER 45 H SER 45 -9.587 9.497 -7.390
315 HA SER 45 HA SER 45 -9.899 10.491 -10.142
316 HB2 SER 45 1HB SER 45 -8.065 12.075 -9.767
317 HB3 SER 45 2HB SER 45 -9.387 12.379 -8.639
318 HG SER 45 HG SER 45 -7.276 12.374 -7.660
319 H GLY 46 H GLY 46 -9.509 8.163 -10.565
320 HA2 GLY 46 1HA GLY 46 -8.138 6.475 -11.298
321 HA3 GLY 46 2HA GLY 46 -6.898 7.710 -11.460
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -20.530 13.181 5.018
2 HA2 GLY 1 1HA GLY 1 -21.451 11.426 6.466
3 HA3 GLY 1 2HA GLY 1 -23.023 11.780 5.765
4 H SER 2 H SER 2 -23.641 10.769 3.925
5 HA SER 2 HA SER 2 -23.686 9.012 2.455
6 HB2 SER 2 1HB SER 2 -22.295 9.337 0.596
7 HB3 SER 2 2HB SER 2 -22.362 10.940 1.329
8 HG SER 2 HG SER 2 -20.370 10.056 2.504
9 H SER 3 H SER 3 -22.815 8.175 4.956
10 HA SER 3 HA SER 3 -20.440 6.847 5.207
11 HB2 SER 3 1HB SER 3 -23.191 6.320 6.240
12 HB3 SER 3 2HB SER 3 -21.962 5.077 6.473
13 HG SER 3 HG SER 3 -22.327 7.157 7.964
14 H GLY 4 H GLY 4 -19.700 4.736 4.780
15 HA2 GLY 4 1HA GLY 4 -21.102 2.741 3.420
16 HA3 GLY 4 2HA GLY 4 -20.328 3.750 2.208
17 H SER 5 H SER 5 -19.096 1.889 1.592
18 HA SER 5 HA SER 5 -16.692 1.596 3.229
19 HB2 SER 5 1HB SER 5 -18.250 -0.766 2.149
20 HB3 SER 5 2HB SER 5 -16.703 -0.847 2.992
21 HG SER 5 HG SER 5 -17.986 0.365 4.708
22 H SER 6 H SER 6 -14.864 0.752 2.051
23 HA SER 6 HA SER 6 -14.803 1.723 -0.652
24 HB2 SER 6 1HB SER 6 -12.726 0.413 1.107
25 HB3 SER 6 2HB SER 6 -12.399 0.913 -0.552
26 HG SER 6 HG SER 6 -13.503 2.731 1.291
27 H GLY 7 H GLY 7 -14.389 -1.458 0.890
28 HA2 GLY 7 1HA GLY 7 -14.229 -3.561 -0.089
29 HA3 GLY 7 2HA GLY 7 -15.777 -3.055 -0.749
30 H THR 8 H THR 8 -15.814 -3.704 -2.801
31 HA THR 8 HA THR 8 -15.121 -4.186 -4.933
32 HB THR 8 HB THR 8 -14.280 -2.263 -6.180
33 HG1 THR 8 HG1 THR 8 -14.002 -0.287 -4.732
34 HG21 THR 8 3HG2 THR 8 -16.091 -0.839 -4.361
35 HG22 THR 8 1HG2 THR 8 -16.681 -2.413 -4.894
36 HG23 THR 8 2HG2 THR 8 -16.253 -1.182 -6.083
37 H GLY 9 H GLY 9 -13.377 -5.295 -3.032
38 HA2 GLY 9 1HA GLY 9 -11.179 -5.988 -4.596
39 HA3 GLY 9 2HA GLY 9 -10.656 -4.694 -3.530
40 H GLU 10 H GLU 10 -10.479 -7.867 -3.834
41 HA GLU 10 HA GLU 10 -10.737 -8.371 -0.941
42 HB2 GLU 10 1HB GLU 10 -11.192 -10.171 -3.306
43 HB3 GLU 10 2HB GLU 10 -10.843 -10.833 -1.715
44 HG2 GLU 10 1HG GLU 10 -13.186 -9.127 -2.511
45 HG3 GLU 10 2HG GLU 10 -13.203 -10.820 -2.020
46 H LYS 11 H LYS 11 -8.448 -7.171 -1.962
47 HA LYS 11 HA LYS 11 -6.426 -9.166 -2.437
48 HB2 LYS 11 1HB LYS 11 -6.012 -6.253 -1.760
49 HB3 LYS 11 2HB LYS 11 -4.882 -7.334 -2.566
50 HG2 LYS 11 1HG LYS 11 -7.542 -6.520 -3.713
51 HG3 LYS 11 2HG LYS 11 -6.015 -5.711 -4.071
52 HD2 LYS 11 1HD LYS 11 -6.094 -7.178 -5.823
53 HD3 LYS 11 2HD LYS 11 -5.253 -8.180 -4.637
54 HE2 LYS 11 1HE LYS 11 -6.879 -9.631 -5.365
55 HE3 LYS 11 2HE LYS 11 -7.679 -8.901 -3.974
56 HZ1 LYS 11 3HZ LYS 11 -8.854 -7.415 -5.441
57 HZ2 LYS 11 1HZ LYS 11 -9.118 -9.012 -5.933
58 HZ3 LYS 11 2HZ LYS 11 -8.040 -8.031 -6.790
59 HA PRO 12 HA PRO 12 -5.248 -10.020 1.708
60 HB2 PRO 12 1HB PRO 12 -2.597 -10.508 1.385
61 HB3 PRO 12 2HB PRO 12 -3.853 -11.628 0.844
62 HG2 PRO 12 1HG PRO 12 -2.300 -9.617 -0.738
63 HG3 PRO 12 2HG PRO 12 -2.725 -11.286 -1.160
64 HD2 PRO 12 1HD PRO 12 -4.082 -9.150 -2.123
65 HD3 PRO 12 2HD PRO 12 -4.862 -10.712 -1.805
66 H TYR 13 H TYR 13 -4.189 -7.281 0.060
67 HA TYR 13 HA TYR 13 -3.293 -6.071 2.566
68 HB2 TYR 13 1HB TYR 13 -1.753 -5.658 0.004
69 HB3 TYR 13 2HB TYR 13 -1.317 -5.122 1.622
70 HD1 TYR 13 HD1 TYR 13 -0.775 -6.909 3.363
71 HD2 TYR 13 HD2 TYR 13 -1.017 -7.731 -0.805
72 HE1 TYR 13 HE1 TYR 13 0.528 -8.968 3.699
73 HE2 TYR 13 HE2 TYR 13 0.284 -9.792 -0.480
74 HH TYR 13 HH TYR 13 1.682 -10.872 1.003
75 H LYS 14 H LYS 14 -3.469 -3.777 2.617
76 HA LYS 14 HA LYS 14 -4.667 -2.402 0.373
77 HB2 LYS 14 1HB LYS 14 -6.627 -3.445 1.398
78 HB3 LYS 14 2HB LYS 14 -6.192 -2.762 2.960
79 HG2 LYS 14 1HG LYS 14 -6.343 -0.489 1.699
80 HG3 LYS 14 2HG LYS 14 -7.310 -1.413 0.547
81 HD2 LYS 14 1HD LYS 14 -8.573 -2.214 2.689
82 HD3 LYS 14 2HD LYS 14 -7.873 -0.763 3.410
83 HE2 LYS 14 1HE LYS 14 -8.813 0.395 1.261
84 HE3 LYS 14 2HE LYS 14 -9.864 -1.019 1.199
85 HZ1 LYS 14 3HZ LYS 14 -10.337 1.230 2.632
86 HZ2 LYS 14 1HZ LYS 14 -9.723 0.177 3.806
87 HZ3 LYS 14 2HZ LYS 14 -11.076 -0.269 2.894
88 H CYS 15 H CYS 15 -4.519 -0.164 0.520
89 HA CYS 15 HA CYS 15 -2.561 0.795 2.410
90 HB2 CYS 15 1HB CYS 15 -2.670 1.439 -0.048
91 HB3 CYS 15 2HB CYS 15 -4.064 2.431 0.366
92 H SER 16 H SER 16 -3.088 1.485 4.365
93 HA SER 16 HA SER 16 -5.806 2.313 4.956
94 HB2 SER 16 1HB SER 16 -4.582 0.811 6.503
95 HB3 SER 16 2HB SER 16 -3.410 2.095 6.796
96 HG SER 16 HG SER 16 -4.743 2.876 8.204
97 H ASP 17 H ASP 17 -4.117 3.994 3.251
98 HA ASP 17 HA ASP 17 -4.002 6.413 4.931
99 HB2 ASP 17 1HB ASP 17 -2.378 5.682 2.488
100 HB3 ASP 17 2HB ASP 17 -2.373 7.281 3.226
101 H CYS 18 H CYS 18 -4.643 5.268 1.624
102 HA CYS 18 HA CYS 18 -6.476 7.550 1.283
103 HB2 CYS 18 1HB CYS 18 -6.128 7.190 -1.180
104 HB3 CYS 18 2HB CYS 18 -4.694 7.723 -0.310
105 H GLY 19 H GLY 19 -5.993 4.110 0.560
106 HA2 GLY 19 1HA GLY 19 -7.937 2.670 1.118
107 HA3 GLY 19 2HA GLY 19 -8.928 3.866 0.297
108 H LYS 20 H LYS 20 -5.964 2.021 -0.443
109 HA LYS 20 HA LYS 20 -7.212 1.262 -3.002
110 HB2 LYS 20 1HB LYS 20 -4.475 2.289 -2.403
111 HB3 LYS 20 2HB LYS 20 -4.659 1.110 -3.695
112 HG2 LYS 20 1HG LYS 20 -6.166 2.555 -4.876
113 HG3 LYS 20 2HG LYS 20 -6.185 3.700 -3.534
114 HD2 LYS 20 1HD LYS 20 -3.879 4.247 -3.885
115 HD3 LYS 20 2HD LYS 20 -3.704 2.958 -5.078
116 HE2 LYS 20 1HE LYS 20 -5.237 4.100 -6.573
117 HE3 LYS 20 2HE LYS 20 -5.512 5.356 -5.367
118 HZ1 LYS 20 3HZ LYS 20 -3.954 6.243 -6.846
119 HZ2 LYS 20 1HZ LYS 20 -3.049 4.815 -6.912
120 HZ3 LYS 20 2HZ LYS 20 -3.033 5.763 -5.511
121 H SER 21 H SER 21 -6.955 -0.836 -3.694
122 HA SER 21 HA SER 21 -6.031 -2.713 -1.652
123 HB2 SER 21 1HB SER 21 -7.661 -3.147 -4.166
124 HB3 SER 21 2HB SER 21 -7.214 -4.419 -3.030
125 HG SER 21 HG SER 21 -9.360 -3.301 -2.802
126 H PHE 22 H PHE 22 -4.191 -3.808 -1.832
127 HA PHE 22 HA PHE 22 -2.867 -3.887 -4.463
128 HB2 PHE 22 1HB PHE 22 -1.579 -3.712 -1.731
129 HB3 PHE 22 2HB PHE 22 -0.711 -3.860 -3.255
130 HD1 PHE 22 HD1 PHE 22 -3.261 -1.687 -1.618
131 HD2 PHE 22 HD2 PHE 22 0.066 -1.947 -4.260
132 HE1 PHE 22 HE1 PHE 22 -3.254 0.763 -1.845
133 HE2 PHE 22 HE2 PHE 22 0.079 0.503 -4.490
134 HZ PHE 22 HZ PHE 22 -1.582 1.861 -3.281
135 H THR 23 H THR 23 -2.253 -5.821 -5.224
136 HA THR 23 HA THR 23 -3.073 -8.188 -3.821
137 HB THR 23 HB THR 23 -1.516 -7.988 -6.405
138 HG1 THR 23 HG1 THR 23 -3.811 -7.017 -6.093
139 HG21 THR 23 3HG2 THR 23 -2.782 -10.212 -4.899
140 HG22 THR 23 1HG2 THR 23 -1.335 -10.208 -5.905
141 HG23 THR 23 2HG2 THR 23 -2.931 -10.229 -6.655
142 H TRP 24 H TRP 24 0.017 -6.729 -4.743
143 HA TRP 24 HA TRP 24 1.405 -8.770 -3.142
144 HB2 TRP 24 1HB TRP 24 2.415 -6.936 -5.323
145 HB3 TRP 24 2HB TRP 24 3.461 -7.960 -4.343
146 HD1 TRP 24 HD1 TRP 24 0.966 -8.102 -7.213
147 HE1 TRP 24 HE1 TRP 24 1.054 -10.442 -8.281
148 HE3 TRP 24 HE3 TRP 24 3.955 -10.445 -3.790
149 HZ2 TRP 24 HZ2 TRP 24 2.234 -12.949 -7.744
150 HZ3 TRP 24 HZ3 TRP 24 4.516 -12.815 -4.141
151 HH2 TRP 24 HH2 TRP 24 3.672 -14.039 -6.077
152 H LYS 25 H LYS 25 1.874 -8.160 -1.143
153 HA LYS 25 HA LYS 25 1.626 -5.688 -0.011
154 HB2 LYS 25 1HB LYS 25 3.305 -6.495 1.704
155 HB3 LYS 25 2HB LYS 25 1.933 -7.557 1.418
156 HG2 LYS 25 1HG LYS 25 3.364 -8.907 -0.096
157 HG3 LYS 25 2HG LYS 25 4.733 -7.892 0.364
158 HD2 LYS 25 1HD LYS 25 4.650 -8.632 2.608
159 HD3 LYS 25 2HD LYS 25 3.058 -9.362 2.387
160 HE2 LYS 25 1HE LYS 25 4.738 -11.094 2.441
161 HE3 LYS 25 2HE LYS 25 4.060 -10.985 0.817
162 HZ1 LYS 25 3HZ LYS 25 6.604 -9.697 1.640
163 HZ2 LYS 25 1HZ LYS 25 5.982 -9.815 0.071
164 HZ3 LYS 25 2HZ LYS 25 6.511 -11.204 0.878
165 H SER 26 H SER 26 4.533 -7.042 -1.522
166 HA SER 26 HA SER 26 6.358 -5.058 -0.934
167 HB2 SER 26 1HB SER 26 6.802 -7.230 -2.152
168 HB3 SER 26 2HB SER 26 6.192 -6.452 -3.612
169 HG SER 26 HG SER 26 8.066 -5.552 -3.823
170 H ARG 27 H ARG 27 3.757 -5.043 -3.268
171 HA ARG 27 HA ARG 27 4.640 -2.660 -4.608
172 HB2 ARG 27 1HB ARG 27 1.955 -4.050 -4.650
173 HB3 ARG 27 2HB ARG 27 2.449 -2.756 -5.733
174 HG2 ARG 27 1HG ARG 27 3.928 -5.363 -5.543
175 HG3 ARG 27 2HG ARG 27 2.578 -5.103 -6.649
176 HD2 ARG 27 1HD ARG 27 5.056 -3.390 -6.569
177 HD3 ARG 27 2HD ARG 27 4.835 -4.755 -7.663
178 HE ARG 27 HE ARG 27 2.743 -2.774 -7.784
179 HH11 ARG 27 1HH1 ARG 27 5.833 -3.794 -9.021
180 HH12 ARG 27 2HH1 ARG 27 5.668 -2.929 -10.513
181 HH21 ARG 27 1HH2 ARG 27 2.513 -1.631 -9.745
182 HH22 ARG 27 2HH2 ARG 27 3.779 -1.699 -10.923
183 H LEU 28 H LEU 28 2.573 -3.431 -1.910
184 HA LEU 28 HA LEU 28 1.236 -0.924 -1.769
185 HB2 LEU 28 1HB LEU 28 0.154 -2.673 -0.676
186 HB3 LEU 28 2HB LEU 28 1.630 -3.211 0.122
187 HG LEU 28 HG LEU 28 1.506 -1.064 1.475
188 HD11 LEU 28 1HD1 LEU 28 -1.354 -1.068 0.538
189 HD12 LEU 28 2HD1 LEU 28 -0.122 0.028 -0.083
190 HD13 LEU 28 3HD1 LEU 28 -0.572 0.084 1.621
191 HD21 LEU 28 3HD2 LEU 28 0.453 -3.565 1.886
192 HD22 LEU 28 1HD2 LEU 28 -0.916 -2.505 2.225
193 HD23 LEU 28 2HD2 LEU 28 0.599 -2.296 3.104
194 H ARG 29 H ARG 29 3.845 -2.313 0.232
195 HA ARG 29 HA ARG 29 4.422 -0.202 1.851
196 HB2 ARG 29 1HB ARG 29 6.492 -1.173 2.251
197 HB3 ARG 29 2HB ARG 29 5.560 -2.529 1.630
198 HG2 ARG 29 1HG ARG 29 6.618 -2.420 -0.476
199 HG3 ARG 29 2HG ARG 29 7.320 -0.840 -0.121
200 HD2 ARG 29 1HD ARG 29 9.142 -2.140 0.293
201 HD3 ARG 29 2HD ARG 29 8.396 -2.194 1.890
202 HE ARG 29 HE ARG 29 7.325 -4.321 0.545
203 HH11 ARG 29 1HH1 ARG 29 10.542 -3.252 1.338
204 HH12 ARG 29 2HH1 ARG 29 11.197 -4.854 1.412
205 HH21 ARG 29 1HH2 ARG 29 8.175 -6.435 0.639
206 HH22 ARG 29 2HH2 ARG 29 9.850 -6.664 1.013
207 H ILE 30 H ILE 30 5.444 -0.628 -1.505
208 HA ILE 30 HA ILE 30 7.122 1.644 -1.627
209 HB ILE 30 HB ILE 30 5.633 0.262 -3.862
210 HG12 ILE 30 1HG1 ILE 30 8.494 -0.063 -2.933
211 HG13 ILE 30 2HG1 ILE 30 7.190 -1.189 -2.572
212 HG21 ILE 30 1HG2 ILE 30 6.491 2.638 -4.251
213 HG22 ILE 30 2HG2 ILE 30 8.105 1.938 -4.145
214 HG23 ILE 30 3HG2 ILE 30 6.989 1.394 -5.398
215 HD11 ILE 30 3HD1 ILE 30 7.579 -2.250 -4.465
216 HD12 ILE 30 1HD1 ILE 30 7.251 -0.777 -5.376
217 HD13 ILE 30 2HD1 ILE 30 8.889 -1.126 -4.823
218 H HIS 31 H HIS 31 3.716 1.145 -2.490
219 HA HIS 31 HA HIS 31 3.245 3.745 -3.468
220 HB2 HIS 31 1HB HIS 31 1.640 2.133 -4.060
221 HB3 HIS 31 2HB HIS 31 1.452 1.579 -2.399
222 HD1 HIS 31 HD1 HIS 31 0.346 4.260 -4.758
223 HD2 HIS 31 HD2 HIS 31 -0.332 3.063 -0.838
224 HE1 HIS 31 HE1 HIS 31 -1.659 5.572 -3.992
225 H GLN 32 H GLN 32 2.813 2.317 -0.252
226 HA GLN 32 HA GLN 32 1.564 4.385 1.061
227 HB2 GLN 32 1HB GLN 32 3.686 2.481 2.051
228 HB3 GLN 32 2HB GLN 32 2.805 3.575 3.110
229 HG2 GLN 32 1HG GLN 32 0.704 2.513 2.466
230 HG3 GLN 32 2HG GLN 32 1.584 1.419 1.400
231 HE21 GLN 32 1HE2 GLN 32 0.539 2.044 4.577
232 HE22 GLN 32 2HE2 GLN 32 1.262 0.671 5.337
233 H LYS 33 H LYS 33 4.944 4.090 0.159
234 HA LYS 33 HA LYS 33 5.989 6.195 1.685
235 HB2 LYS 33 1HB LYS 33 6.897 5.287 -1.052
236 HB3 LYS 33 2HB LYS 33 7.851 6.193 0.115
237 HG2 LYS 33 1HG LYS 33 7.353 4.136 1.658
238 HG3 LYS 33 2HG LYS 33 7.078 3.319 0.118
239 HD2 LYS 33 1HD LYS 33 9.357 4.364 -0.554
240 HD3 LYS 33 2HD LYS 33 9.588 4.557 1.185
241 HE2 LYS 33 1HE LYS 33 8.830 1.931 -0.068
242 HE3 LYS 33 2HE LYS 33 10.507 2.434 0.136
243 HZ1 LYS 33 3HZ LYS 33 9.605 2.841 2.587
244 HZ2 LYS 33 1HZ LYS 33 10.244 1.357 2.084
245 HZ3 LYS 33 2HZ LYS 33 8.568 1.584 2.133
246 H CYS 34 H CYS 34 4.758 6.183 -1.654
247 HA CYS 34 HA CYS 34 5.203 8.710 -2.482
248 HB2 CYS 34 1HB CYS 34 2.558 7.264 -2.748
249 HB3 CYS 34 2HB CYS 34 3.105 8.598 -3.757
250 HG CYS 34 HG CYS 34 4.949 5.744 -3.596
251 H HIS 35 H HIS 35 2.802 7.724 -0.104
252 HA HIS 35 HA HIS 35 1.476 10.204 0.124
253 HB2 HIS 35 1HB HIS 35 1.765 7.873 2.017
254 HB3 HIS 35 2HB HIS 35 0.800 9.293 2.407
255 HD1 HIS 35 HD1 HIS 35 -0.768 9.799 -0.075
256 HD2 HIS 35 HD2 HIS 35 -0.002 5.960 1.315
257 HE1 HIS 35 HE1 HIS 35 -2.561 8.350 -1.081
258 H THR 36 H THR 36 3.214 11.731 0.120
259 HA THR 36 HA THR 36 3.929 12.635 2.699
260 HB THR 36 HB THR 36 5.570 10.849 2.667
261 HG1 THR 36 HG1 THR 36 6.565 12.467 3.658
262 HG21 THR 36 3HG2 THR 36 6.719 12.095 0.173
263 HG22 THR 36 1HG2 THR 36 5.675 10.674 0.163
264 HG23 THR 36 2HG2 THR 36 7.241 10.613 0.973
265 H GLY 37 H GLY 37 5.329 14.581 2.617
266 HA2 GLY 37 1HA GLY 37 6.298 16.396 1.455
267 HA3 GLY 37 2HA GLY 37 5.590 15.790 -0.035
268 H GLU 38 H GLU 38 3.522 16.394 -0.614
269 HA GLU 38 HA GLU 38 2.623 18.900 0.140
270 HB2 GLU 38 1HB GLU 38 1.985 17.429 -1.895
271 HB3 GLU 38 2HB GLU 38 0.725 16.791 -0.847
272 HG2 GLU 38 1HG GLU 38 0.121 19.283 -0.478
273 HG3 GLU 38 2HG GLU 38 1.047 19.544 -1.955
274 H ARG 39 H ARG 39 1.160 15.774 1.047
275 HA ARG 39 HA ARG 39 -0.849 16.446 2.664
276 HB2 ARG 39 1HB ARG 39 0.343 14.140 2.278
277 HB3 ARG 39 2HB ARG 39 1.137 14.517 3.802
278 HG2 ARG 39 1HG ARG 39 -0.662 13.292 4.517
279 HG3 ARG 39 2HG ARG 39 -1.295 14.935 4.642
280 HD2 ARG 39 1HD ARG 39 -2.598 14.707 2.721
281 HD3 ARG 39 2HD ARG 39 -1.667 13.325 2.143
282 HE ARG 39 HE ARG 39 -3.070 12.867 4.619
283 HH11 ARG 39 1HH1 ARG 39 -3.227 12.739 1.144
284 HH12 ARG 39 2HH1 ARG 39 -4.489 11.552 1.114
285 HH21 ARG 39 1HH2 ARG 39 -4.731 11.304 4.594
286 HH22 ARG 39 2HH2 ARG 39 -5.344 10.737 3.077
287 H HIS 40 H HIS 40 -1.081 17.997 4.123
288 HA HIS 40 HA HIS 40 1.207 18.831 5.736
289 HB2 HIS 40 1HB HIS 40 -1.543 20.076 5.533
290 HB3 HIS 40 2HB HIS 40 -0.129 20.782 6.311
291 HD2 HIS 40 HD2 HIS 40 1.529 22.197 4.647
292 HE1 HIS 40 HE1 HIS 40 -0.418 21.212 1.009
293 HE2 HIS 40 HE2 HIS 40 1.418 22.556 2.088
294 H SER 41 H SER 41 1.464 17.481 7.428
295 HA SER 41 HA SER 41 -0.586 17.480 9.469
296 HB2 SER 41 1HB SER 41 -1.239 15.538 8.115
297 HB3 SER 41 2HB SER 41 0.387 14.874 8.271
298 HG SER 41 HG SER 41 -1.269 15.460 10.494
299 H GLY 42 H GLY 42 0.509 18.066 11.217
300 HA2 GLY 42 1HA GLY 42 3.331 17.362 11.471
301 HA3 GLY 42 2HA GLY 42 2.451 18.510 12.469
302 HA PRO 43 HA PRO 43 2.727 14.061 14.309
303 HB2 PRO 43 1HB PRO 43 5.111 14.156 15.605
304 HB3 PRO 43 2HB PRO 43 4.938 13.547 13.954
305 HG2 PRO 43 1HG PRO 43 5.850 16.239 14.894
306 HG3 PRO 43 2HG PRO 43 6.517 15.218 13.606
307 HD2 PRO 43 1HD PRO 43 4.892 17.325 13.102
308 HD3 PRO 43 2HD PRO 43 4.910 15.868 12.087
309 H SER 44 H SER 44 1.342 14.271 15.954
310 HA SER 44 HA SER 44 1.447 16.459 17.797
311 HB2 SER 44 1HB SER 44 -0.452 15.275 18.908
312 HB3 SER 44 2HB SER 44 -0.709 15.541 17.183
313 HG SER 44 HG SER 44 -0.897 13.279 18.415
314 H SER 45 H SER 45 1.877 12.939 18.147
315 HA SER 45 HA SER 45 3.584 13.476 20.485
316 HB2 SER 45 1HB SER 45 2.685 11.441 21.558
317 HB3 SER 45 2HB SER 45 1.423 12.641 21.279
318 HG SER 45 HG SER 45 1.905 10.665 19.344
319 H GLY 46 H GLY 46 5.255 13.339 18.779
320 HA2 GLY 46 1HA GLY 46 5.764 11.041 17.268
321 HA3 GLY 46 2HA GLY 46 6.977 12.212 17.765
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -20.425 8.574 -14.965
2 HA2 GLY 1 1HA GLY 1 -19.076 9.934 -17.049
3 HA3 GLY 1 2HA GLY 1 -18.580 10.592 -15.497
4 H SER 2 H SER 2 -17.002 9.590 -14.414
5 HA SER 2 HA SER 2 -15.278 7.798 -15.439
6 HB2 SER 2 1HB SER 2 -16.121 8.182 -12.571
7 HB3 SER 2 2HB SER 2 -14.822 7.074 -13.014
8 HG SER 2 HG SER 2 -14.864 9.830 -12.982
9 H SER 3 H SER 3 -14.938 5.565 -15.405
10 HA SER 3 HA SER 3 -16.895 3.881 -16.143
11 HB2 SER 3 1HB SER 3 -14.410 3.378 -15.977
12 HB3 SER 3 2HB SER 3 -14.697 2.950 -14.290
13 HG SER 3 HG SER 3 -14.832 1.097 -15.540
14 H GLY 4 H GLY 4 -15.914 4.418 -12.766
15 HA2 GLY 4 1HA GLY 4 -17.247 4.358 -10.866
16 HA3 GLY 4 2HA GLY 4 -18.607 3.881 -11.871
17 H SER 5 H SER 5 -15.439 2.333 -11.497
18 HA SER 5 HA SER 5 -16.329 -0.269 -11.505
19 HB2 SER 5 1HB SER 5 -13.931 0.962 -10.143
20 HB3 SER 5 2HB SER 5 -14.203 -0.780 -10.201
21 HG SER 5 HG SER 5 -13.824 0.995 -12.377
22 H SER 6 H SER 6 -16.310 -1.856 -9.695
23 HA SER 6 HA SER 6 -17.361 -0.699 -7.201
24 HB2 SER 6 1HB SER 6 -19.249 -1.515 -8.537
25 HB3 SER 6 2HB SER 6 -18.482 -3.097 -8.674
26 HG SER 6 HG SER 6 -19.329 -3.571 -6.823
27 H GLY 7 H GLY 7 -14.712 -1.472 -7.563
28 HA2 GLY 7 1HA GLY 7 -13.074 -2.727 -6.558
29 HA3 GLY 7 2HA GLY 7 -14.293 -3.159 -5.369
30 H THR 8 H THR 8 -13.357 -3.938 -8.717
31 HA THR 8 HA THR 8 -14.500 -6.583 -8.496
32 HB THR 8 HB THR 8 -13.643 -6.912 -10.797
33 HG1 THR 8 HG1 THR 8 -12.254 -4.616 -10.140
34 HG21 THR 8 3HG2 THR 8 -14.958 -4.226 -10.770
35 HG22 THR 8 1HG2 THR 8 -15.821 -5.628 -10.139
36 HG23 THR 8 2HG2 THR 8 -15.267 -5.613 -11.813
37 H GLY 9 H GLY 9 -12.570 -6.243 -6.549
38 HA2 GLY 9 1HA GLY 9 -10.939 -8.503 -6.942
39 HA3 GLY 9 2HA GLY 9 -9.976 -7.062 -7.231
40 H GLU 10 H GLU 10 -10.337 -9.262 -5.015
41 HA GLU 10 HA GLU 10 -10.230 -7.362 -2.765
42 HB2 GLU 10 1HB GLU 10 -11.200 -10.224 -2.783
43 HB3 GLU 10 2HB GLU 10 -10.982 -9.259 -1.330
44 HG2 GLU 10 1HG GLU 10 -12.729 -8.248 -3.524
45 HG3 GLU 10 2HG GLU 10 -13.330 -9.481 -2.418
46 H LYS 11 H LYS 11 -8.307 -7.192 -1.841
47 HA LYS 11 HA LYS 11 -6.441 -9.465 -2.043
48 HB2 LYS 11 1HB LYS 11 -5.876 -6.498 -2.098
49 HB3 LYS 11 2HB LYS 11 -4.626 -7.719 -1.901
50 HG2 LYS 11 1HG LYS 11 -4.562 -7.236 -4.166
51 HG3 LYS 11 2HG LYS 11 -5.534 -8.708 -4.092
52 HD2 LYS 11 1HD LYS 11 -7.574 -7.383 -4.235
53 HD3 LYS 11 2HD LYS 11 -6.622 -5.896 -4.256
54 HE2 LYS 11 1HE LYS 11 -7.308 -6.475 -6.505
55 HE3 LYS 11 2HE LYS 11 -5.560 -6.633 -6.349
56 HZ1 LYS 11 3HZ LYS 11 -5.881 -8.635 -7.249
57 HZ2 LYS 11 1HZ LYS 11 -7.540 -8.643 -6.918
58 HZ3 LYS 11 2HZ LYS 11 -6.437 -9.106 -5.723
59 HA PRO 12 HA PRO 12 -6.141 -9.554 2.336
60 HB2 PRO 12 1HB PRO 12 -3.552 -10.298 2.676
61 HB3 PRO 12 2HB PRO 12 -4.800 -11.404 2.089
62 HG2 PRO 12 1HG PRO 12 -2.747 -9.871 0.541
63 HG3 PRO 12 2HG PRO 12 -3.272 -11.553 0.343
64 HD2 PRO 12 1HD PRO 12 -4.160 -9.552 -1.252
65 HD3 PRO 12 2HD PRO 12 -5.163 -10.956 -0.834
66 H TYR 13 H TYR 13 -4.401 -7.317 0.484
67 HA TYR 13 HA TYR 13 -3.642 -5.833 2.914
68 HB2 TYR 13 1HB TYR 13 -2.202 -5.698 0.261
69 HB3 TYR 13 2HB TYR 13 -1.715 -4.944 1.775
70 HD1 TYR 13 HD1 TYR 13 -1.113 -6.487 3.726
71 HD2 TYR 13 HD2 TYR 13 -1.455 -7.846 -0.291
72 HE1 TYR 13 HE1 TYR 13 0.223 -8.474 4.291
73 HE2 TYR 13 HE2 TYR 13 -0.122 -9.837 0.263
74 HH TYR 13 HH TYR 13 1.675 -10.399 2.088
75 H LYS 14 H LYS 14 -4.222 -3.721 3.032
76 HA LYS 14 HA LYS 14 -5.267 -2.371 0.669
77 HB2 LYS 14 1HB LYS 14 -7.204 -3.527 1.698
78 HB3 LYS 14 2HB LYS 14 -6.895 -2.668 3.201
79 HG2 LYS 14 1HG LYS 14 -7.484 -0.593 2.255
80 HG3 LYS 14 2HG LYS 14 -7.437 -1.243 0.614
81 HD2 LYS 14 1HD LYS 14 -9.461 -2.320 0.839
82 HD3 LYS 14 2HD LYS 14 -9.326 -2.431 2.596
83 HE2 LYS 14 1HE LYS 14 -9.945 -0.192 2.896
84 HE3 LYS 14 2HE LYS 14 -9.626 0.214 1.210
85 HZ1 LYS 14 3HZ LYS 14 -12.017 -0.788 2.410
86 HZ2 LYS 14 1HZ LYS 14 -11.539 -1.729 1.088
87 HZ3 LYS 14 2HZ LYS 14 -11.793 -0.068 0.896
88 H CYS 15 H CYS 15 -4.786 -0.256 0.652
89 HA CYS 15 HA CYS 15 -3.125 0.823 2.701
90 HB2 CYS 15 1HB CYS 15 -2.742 1.494 0.422
91 HB3 CYS 15 2HB CYS 15 -4.396 2.075 0.262
92 H SER 16 H SER 16 -3.938 1.366 4.619
93 HA SER 16 HA SER 16 -6.649 2.284 4.927
94 HB2 SER 16 1HB SER 16 -5.227 0.855 6.578
95 HB3 SER 16 2HB SER 16 -4.579 2.409 7.102
96 HG SER 16 HG SER 16 -7.340 2.231 6.888
97 H ASP 17 H ASP 17 -4.185 3.824 3.653
98 HA ASP 17 HA ASP 17 -4.347 6.303 5.170
99 HB2 ASP 17 1HB ASP 17 -2.237 5.248 3.989
100 HB3 ASP 17 2HB ASP 17 -2.879 6.077 2.573
101 H CYS 18 H CYS 18 -4.976 5.208 1.840
102 HA CYS 18 HA CYS 18 -6.776 7.519 1.518
103 HB2 CYS 18 1HB CYS 18 -6.360 7.377 -0.887
104 HB3 CYS 18 2HB CYS 18 -4.847 7.568 -0.008
105 H GLY 19 H GLY 19 -6.323 4.089 0.735
106 HA2 GLY 19 1HA GLY 19 -8.406 2.762 1.310
107 HA3 GLY 19 2HA GLY 19 -9.231 3.901 0.256
108 H LYS 20 H LYS 20 -6.040 2.936 -0.613
109 HA LYS 20 HA LYS 20 -7.049 1.680 -3.013
110 HB2 LYS 20 1HB LYS 20 -4.327 2.454 -2.012
111 HB3 LYS 20 2HB LYS 20 -4.489 1.379 -3.395
112 HG2 LYS 20 1HG LYS 20 -5.974 3.963 -3.371
113 HG3 LYS 20 2HG LYS 20 -4.248 3.950 -3.738
114 HD2 LYS 20 1HD LYS 20 -5.242 3.758 -5.834
115 HD3 LYS 20 2HD LYS 20 -4.847 2.088 -5.421
116 HE2 LYS 20 1HE LYS 20 -7.035 1.502 -5.117
117 HE3 LYS 20 2HE LYS 20 -7.516 3.126 -4.629
118 HZ1 LYS 20 3HZ LYS 20 -8.292 2.285 -6.889
119 HZ2 LYS 20 1HZ LYS 20 -6.701 2.539 -7.407
120 HZ3 LYS 20 2HZ LYS 20 -7.619 3.836 -6.827
121 H SER 21 H SER 21 -6.143 -0.412 -3.759
122 HA SER 21 HA SER 21 -5.800 -2.283 -1.508
123 HB2 SER 21 1HB SER 21 -7.998 -2.286 -2.995
124 HB3 SER 21 2HB SER 21 -6.978 -3.220 -4.088
125 HG SER 21 HG SER 21 -6.788 -4.793 -2.593
126 H PHE 22 H PHE 22 -4.434 -4.078 -1.837
127 HA PHE 22 HA PHE 22 -2.895 -4.247 -4.288
128 HB2 PHE 22 1HB PHE 22 -1.405 -3.857 -1.696
129 HB3 PHE 22 2HB PHE 22 -0.759 -3.850 -3.334
130 HD1 PHE 22 HD1 PHE 22 -3.172 -1.999 -1.182
131 HD2 PHE 22 HD2 PHE 22 -0.349 -1.832 -4.363
132 HE1 PHE 22 HE1 PHE 22 -3.408 0.449 -1.258
133 HE2 PHE 22 HE2 PHE 22 -0.579 0.616 -4.443
134 HZ PHE 22 HZ PHE 22 -2.109 1.760 -2.889
135 H THR 23 H THR 23 -2.075 -6.259 -4.650
136 HA THR 23 HA THR 23 -2.869 -8.327 -2.747
137 HB THR 23 HB THR 23 -3.314 -8.351 -5.329
138 HG1 THR 23 HG1 THR 23 -3.886 -10.304 -4.778
139 HG21 THR 23 3HG2 THR 23 -0.801 -8.066 -5.754
140 HG22 THR 23 1HG2 THR 23 -1.650 -9.293 -6.693
141 HG23 THR 23 2HG2 THR 23 -0.663 -9.767 -5.311
142 H TRP 24 H TRP 24 -0.001 -7.060 -4.357
143 HA TRP 24 HA TRP 24 1.724 -9.030 -3.118
144 HB2 TRP 24 1HB TRP 24 2.054 -6.853 -5.118
145 HB3 TRP 24 2HB TRP 24 3.474 -7.308 -4.180
146 HD1 TRP 24 HD1 TRP 24 0.902 -8.888 -6.594
147 HE1 TRP 24 HE1 TRP 24 2.024 -10.892 -7.756
148 HE3 TRP 24 HE3 TRP 24 5.342 -8.916 -4.059
149 HZ2 TRP 24 HZ2 TRP 24 4.467 -12.299 -7.616
150 HZ3 TRP 24 HZ3 TRP 24 7.017 -10.624 -4.634
151 HH2 TRP 24 HH2 TRP 24 6.586 -12.280 -6.375
152 H LYS 25 H LYS 25 3.705 -8.253 -1.941
153 HA LYS 25 HA LYS 25 2.866 -6.402 0.147
154 HB2 LYS 25 1HB LYS 25 5.391 -8.056 0.017
155 HB3 LYS 25 2HB LYS 25 4.711 -7.265 1.434
156 HG2 LYS 25 1HG LYS 25 4.093 -9.458 1.753
157 HG3 LYS 25 2HG LYS 25 2.656 -8.779 0.984
158 HD2 LYS 25 1HD LYS 25 3.003 -9.910 -0.973
159 HD3 LYS 25 2HD LYS 25 4.756 -9.940 -0.771
160 HE2 LYS 25 1HE LYS 25 3.039 -11.489 1.115
161 HE3 LYS 25 2HE LYS 25 3.335 -12.128 -0.501
162 HZ1 LYS 25 3HZ LYS 25 4.935 -12.912 1.188
163 HZ2 LYS 25 1HZ LYS 25 5.477 -11.322 1.388
164 HZ3 LYS 25 2HZ LYS 25 5.676 -12.102 -0.099
165 H SER 26 H SER 26 5.507 -6.811 -2.180
166 HA SER 26 HA SER 26 6.938 -4.491 -1.421
167 HB2 SER 26 1HB SER 26 6.938 -6.254 -3.854
168 HB3 SER 26 2HB SER 26 7.869 -4.756 -3.844
169 HG SER 26 HG SER 26 8.968 -6.742 -3.107
170 H ARG 27 H ARG 27 4.547 -5.103 -3.970
171 HA ARG 27 HA ARG 27 4.605 -2.619 -5.216
172 HB2 ARG 27 1HB ARG 27 2.395 -4.632 -4.847
173 HB3 ARG 27 2HB ARG 27 2.157 -3.152 -5.766
174 HG2 ARG 27 1HG ARG 27 2.705 -5.148 -7.143
175 HG3 ARG 27 2HG ARG 27 3.806 -3.786 -7.363
176 HD2 ARG 27 1HD ARG 27 5.453 -4.828 -5.947
177 HD3 ARG 27 2HD ARG 27 4.336 -6.131 -5.545
178 HE ARG 27 HE ARG 27 4.503 -6.338 -8.214
179 HH11 ARG 27 1HH1 ARG 27 6.937 -6.051 -5.741
180 HH12 ARG 27 2HH1 ARG 27 8.124 -6.956 -6.622
181 HH21 ARG 27 1HH2 ARG 27 6.057 -7.531 -9.383
182 HH22 ARG 27 2HH2 ARG 27 7.622 -7.796 -8.693
183 H LEU 28 H LEU 28 2.678 -3.698 -2.439
184 HA LEU 28 HA LEU 28 1.144 -1.401 -2.083
185 HB2 LEU 28 1HB LEU 28 0.592 -3.370 -0.879
186 HB3 LEU 28 2HB LEU 28 2.182 -3.431 -0.121
187 HG LEU 28 HG LEU 28 1.561 -1.299 1.079
188 HD11 LEU 28 1HD1 LEU 28 -1.080 -1.957 -0.185
189 HD12 LEU 28 2HD1 LEU 28 -0.211 -0.423 -0.178
190 HD13 LEU 28 3HD1 LEU 28 -0.961 -1.017 1.303
191 HD21 LEU 28 3HD2 LEU 28 0.633 -2.462 2.842
192 HD22 LEU 28 1HD2 LEU 28 1.371 -3.760 1.903
193 HD23 LEU 28 2HD2 LEU 28 -0.365 -3.469 1.791
194 H ARG 29 H ARG 29 4.175 -2.273 -0.412
195 HA ARG 29 HA ARG 29 4.624 -0.120 1.142
196 HB2 ARG 29 1HB ARG 29 6.580 -1.607 -0.605
197 HB3 ARG 29 2HB ARG 29 7.091 -0.376 0.541
198 HG2 ARG 29 1HG ARG 29 5.756 -1.793 2.260
199 HG3 ARG 29 2HG ARG 29 5.927 -3.073 1.056
200 HD2 ARG 29 1HD ARG 29 7.733 -3.227 2.644
201 HD3 ARG 29 2HD ARG 29 8.372 -2.718 1.082
202 HE ARG 29 HE ARG 29 7.981 -0.371 2.325
203 HH11 ARG 29 1HH1 ARG 29 9.542 -3.316 3.332
204 HH12 ARG 29 2HH1 ARG 29 10.672 -2.514 4.372
205 HH21 ARG 29 1HH2 ARG 29 9.464 0.695 3.691
206 HH22 ARG 29 2HH2 ARG 29 10.626 -0.233 4.577
207 H ILE 30 H ILE 30 5.852 -0.238 -2.208
208 HA ILE 30 HA ILE 30 6.769 2.274 -2.545
209 HB ILE 30 HB ILE 30 5.058 0.781 -4.536
210 HG12 ILE 30 1HG1 ILE 30 8.051 0.951 -4.585
211 HG13 ILE 30 2HG1 ILE 30 7.262 -0.219 -3.534
212 HG21 ILE 30 1HG2 ILE 30 5.358 3.248 -4.958
213 HG22 ILE 30 2HG2 ILE 30 7.084 2.925 -5.122
214 HG23 ILE 30 3HG2 ILE 30 5.938 2.178 -6.235
215 HD11 ILE 30 3HD1 ILE 30 7.099 -0.037 -6.527
216 HD12 ILE 30 1HD1 ILE 30 7.815 -1.323 -5.555
217 HD13 ILE 30 2HD1 ILE 30 6.067 -1.084 -5.553
218 H HIS 31 H HIS 31 3.402 1.336 -2.324
219 HA HIS 31 HA HIS 31 2.248 3.743 -3.225
220 HB2 HIS 31 1HB HIS 31 1.066 1.535 -2.889
221 HB3 HIS 31 2HB HIS 31 1.071 1.877 -1.161
222 HD1 HIS 31 HD1 HIS 31 -0.256 3.365 -4.389
223 HD2 HIS 31 HD2 HIS 31 -1.029 3.384 -0.307
224 HE1 HIS 31 HE1 HIS 31 -2.409 4.634 -4.119
225 H GLN 32 H GLN 32 3.037 2.609 0.052
226 HA GLN 32 HA GLN 32 2.173 4.993 1.337
227 HB2 GLN 32 1HB GLN 32 4.072 2.851 2.310
228 HB3 GLN 32 2HB GLN 32 3.336 4.093 3.314
229 HG2 GLN 32 1HG GLN 32 1.883 2.423 3.741
230 HG3 GLN 32 2HG GLN 32 1.118 3.053 2.283
231 HE21 GLN 32 1HE2 GLN 32 3.444 0.647 3.414
232 HE22 GLN 32 2HE2 GLN 32 3.096 -0.524 2.192
233 H LYS 33 H LYS 33 5.364 3.762 0.389
234 HA LYS 33 HA LYS 33 7.048 5.621 1.427
235 HB2 LYS 33 1HB LYS 33 7.042 4.075 -1.113
236 HB3 LYS 33 2HB LYS 33 8.208 5.384 -0.973
237 HG2 LYS 33 1HG LYS 33 9.309 3.421 -0.270
238 HG3 LYS 33 2HG LYS 33 8.953 4.343 1.193
239 HD2 LYS 33 1HD LYS 33 6.961 2.329 0.285
240 HD3 LYS 33 2HD LYS 33 8.456 1.746 1.022
241 HE2 LYS 33 1HE LYS 33 6.590 3.766 2.262
242 HE3 LYS 33 2HE LYS 33 6.610 2.046 2.647
243 HZ1 LYS 33 3HZ LYS 33 7.890 3.106 4.290
244 HZ2 LYS 33 1HZ LYS 33 8.730 4.048 3.163
245 HZ3 LYS 33 2HZ LYS 33 9.014 2.383 3.252
246 H CYS 34 H CYS 34 4.997 6.016 -1.422
247 HA CYS 34 HA CYS 34 5.990 8.633 -2.037
248 HB2 CYS 34 1HB CYS 34 4.965 7.045 -3.706
249 HB3 CYS 34 2HB CYS 34 3.403 7.379 -2.968
250 HG CYS 34 HG CYS 34 3.626 8.806 -5.376
251 H HIS 35 H HIS 35 3.081 7.352 -0.467
252 HA HIS 35 HA HIS 35 1.582 9.601 -0.113
253 HB2 HIS 35 1HB HIS 35 2.009 7.149 1.516
254 HB3 HIS 35 2HB HIS 35 1.156 8.486 2.281
255 HD1 HIS 35 HD1 HIS 35 -0.704 9.483 0.206
256 HD2 HIS 35 HD2 HIS 35 0.122 5.435 0.640
257 HE1 HIS 35 HE1 HIS 35 -2.654 8.284 -0.835
258 H THR 36 H THR 36 4.409 8.621 1.768
259 HA THR 36 HA THR 36 4.236 11.003 3.428
260 HB THR 36 HB THR 36 6.251 10.108 4.554
261 HG1 THR 36 HG1 THR 36 6.909 7.959 3.921
262 HG21 THR 36 3HG2 THR 36 3.861 8.313 4.217
263 HG22 THR 36 1HG2 THR 36 4.220 9.428 5.535
264 HG23 THR 36 2HG2 THR 36 5.156 7.944 5.356
265 H GLY 37 H GLY 37 5.270 12.847 3.019
266 HA2 GLY 37 1HA GLY 37 7.831 13.234 2.140
267 HA3 GLY 37 2HA GLY 37 6.889 13.106 0.662
268 H GLU 38 H GLU 38 6.063 14.593 3.780
269 HA GLU 38 HA GLU 38 5.401 16.699 4.328
270 HB2 GLU 38 1HB GLU 38 7.193 17.368 1.992
271 HB3 GLU 38 2HB GLU 38 6.453 18.584 3.024
272 HG2 GLU 38 1HG GLU 38 7.591 17.186 4.933
273 HG3 GLU 38 2HG GLU 38 8.644 16.668 3.618
274 H ARG 39 H ARG 39 3.621 15.201 2.800
275 HA ARG 39 HA ARG 39 2.569 16.850 0.678
276 HB2 ARG 39 1HB ARG 39 1.795 14.237 1.922
277 HB3 ARG 39 2HB ARG 39 0.638 15.096 0.914
278 HG2 ARG 39 1HG ARG 39 3.411 14.390 -0.007
279 HG3 ARG 39 2HG ARG 39 2.011 13.341 -0.243
280 HD2 ARG 39 1HD ARG 39 1.006 14.795 -1.730
281 HD3 ARG 39 2HD ARG 39 1.885 16.194 -1.114
282 HE ARG 39 HE ARG 39 3.777 14.512 -2.221
283 HH11 ARG 39 1HH1 ARG 39 0.969 16.263 -3.301
284 HH12 ARG 39 2HH1 ARG 39 1.564 16.481 -4.913
285 HH21 ARG 39 1HH2 ARG 39 4.571 14.793 -4.341
286 HH22 ARG 39 2HH2 ARG 39 3.612 15.644 -5.504
287 H HIS 40 H HIS 40 1.605 15.948 3.969
288 HA HIS 40 HA HIS 40 -0.136 16.700 5.279
289 HB2 HIS 40 1HB HIS 40 0.011 19.236 5.557
290 HB3 HIS 40 2HB HIS 40 1.480 18.318 5.874
291 HD2 HIS 40 HD2 HIS 40 3.647 19.115 4.427
292 HE1 HIS 40 HE1 HIS 40 1.596 21.626 1.691
293 HE2 HIS 40 HE2 HIS 40 3.839 20.757 2.438
294 H SER 41 H SER 41 -1.048 16.076 2.673
295 HA SER 41 HA SER 41 -2.931 18.230 2.037
296 HB2 SER 41 1HB SER 41 -3.392 16.913 -0.021
297 HB3 SER 41 2HB SER 41 -1.690 17.345 0.139
298 HG SER 41 HG SER 41 -2.572 14.984 -0.290
299 H GLY 42 H GLY 42 -2.871 14.743 2.729
300 HA2 GLY 42 1HA GLY 42 -4.438 13.687 4.170
301 HA3 GLY 42 2HA GLY 42 -5.564 15.002 3.863
302 HA PRO 43 HA PRO 43 -6.478 11.179 1.214
303 HB2 PRO 43 1HB PRO 43 -8.784 10.440 2.441
304 HB3 PRO 43 2HB PRO 43 -7.198 9.832 2.929
305 HG2 PRO 43 1HG PRO 43 -8.840 12.024 4.137
306 HG3 PRO 43 2HG PRO 43 -7.922 10.739 4.944
307 HD2 PRO 43 1HD PRO 43 -6.984 13.267 4.704
308 HD3 PRO 43 2HD PRO 43 -5.916 11.849 4.708
309 H SER 44 H SER 44 -7.787 14.151 2.059
310 HA SER 44 HA SER 44 -10.188 13.979 0.467
311 HB2 SER 44 1HB SER 44 -10.161 16.534 0.887
312 HB3 SER 44 2HB SER 44 -10.405 15.466 2.269
313 HG SER 44 HG SER 44 -7.784 16.164 1.624
314 H SER 45 H SER 45 -6.929 14.394 -0.189
315 HA SER 45 HA SER 45 -7.283 16.144 -2.477
316 HB2 SER 45 1HB SER 45 -5.247 16.409 -1.193
317 HB3 SER 45 2HB SER 45 -4.850 14.702 -1.397
318 HG SER 45 HG SER 45 -4.924 16.721 -3.384
319 H GLY 46 H GLY 46 -6.261 12.780 -1.897
320 HA2 GLY 46 1HA GLY 46 -7.675 11.533 -3.859
321 HA3 GLY 46 2HA GLY 46 -6.269 12.157 -4.708
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -18.343 9.690 -0.898
2 HA2 GLY 1 1HA GLY 1 -20.673 9.484 -0.146
3 HA3 GLY 1 2HA GLY 1 -21.099 10.621 -1.417
4 H SER 2 H SER 2 -19.680 7.405 -0.905
5 HA SER 2 HA SER 2 -20.754 6.604 -3.526
6 HB2 SER 2 1HB SER 2 -19.106 4.791 -3.498
7 HB3 SER 2 2HB SER 2 -18.310 6.350 -3.285
8 HG SER 2 HG SER 2 -17.901 5.882 -1.215
9 H SER 3 H SER 3 -22.867 6.301 -2.621
10 HA SER 3 HA SER 3 -23.459 4.636 -0.453
11 HB2 SER 3 1HB SER 3 -25.185 5.075 -2.899
12 HB3 SER 3 2HB SER 3 -25.729 4.596 -1.291
13 HG SER 3 HG SER 3 -25.934 6.893 -1.849
14 H GLY 4 H GLY 4 -23.215 2.523 -0.189
15 HA2 GLY 4 1HA GLY 4 -23.322 0.257 -0.679
16 HA3 GLY 4 2HA GLY 4 -23.793 0.667 -2.322
17 H SER 5 H SER 5 -21.066 0.317 -0.128
18 HA SER 5 HA SER 5 -19.186 0.450 -2.357
19 HB2 SER 5 1HB SER 5 -17.443 0.462 -0.680
20 HB3 SER 5 2HB SER 5 -18.686 1.619 -0.203
21 HG SER 5 HG SER 5 -19.480 0.090 1.258
22 H SER 6 H SER 6 -18.824 -1.340 -3.474
23 HA SER 6 HA SER 6 -18.350 -3.842 -2.049
24 HB2 SER 6 1HB SER 6 -20.444 -3.467 -4.191
25 HB3 SER 6 2HB SER 6 -19.764 -5.047 -3.803
26 HG SER 6 HG SER 6 -20.395 -4.268 -1.514
27 H GLY 7 H GLY 7 -16.689 -4.961 -2.882
28 HA2 GLY 7 1HA GLY 7 -15.863 -4.392 -5.650
29 HA3 GLY 7 2HA GLY 7 -14.692 -4.249 -4.347
30 H THR 8 H THR 8 -15.575 -6.195 -6.763
31 HA THR 8 HA THR 8 -15.735 -8.761 -5.617
32 HB THR 8 HB THR 8 -15.111 -9.617 -7.841
33 HG1 THR 8 HG1 THR 8 -14.714 -7.996 -9.494
34 HG21 THR 8 3HG2 THR 8 -17.233 -9.262 -8.418
35 HG22 THR 8 1HG2 THR 8 -16.859 -7.597 -8.860
36 HG23 THR 8 2HG2 THR 8 -17.332 -7.985 -7.206
37 H GLY 9 H GLY 9 -12.957 -6.957 -6.925
38 HA2 GLY 9 1HA GLY 9 -11.004 -8.911 -6.545
39 HA3 GLY 9 2HA GLY 9 -10.704 -7.179 -6.554
40 H GLU 10 H GLU 10 -10.857 -10.006 -4.665
41 HA GLU 10 HA GLU 10 -10.936 -8.557 -2.138
42 HB2 GLU 10 1HB GLU 10 -11.051 -11.441 -2.926
43 HB3 GLU 10 2HB GLU 10 -10.568 -11.020 -1.289
44 HG2 GLU 10 1HG GLU 10 -13.062 -9.853 -2.430
45 HG3 GLU 10 2HG GLU 10 -13.061 -11.515 -1.843
46 H LYS 11 H LYS 11 -9.030 -7.455 -1.966
47 HA LYS 11 HA LYS 11 -6.523 -8.928 -2.295
48 HB2 LYS 11 1HB LYS 11 -7.284 -6.048 -2.271
49 HB3 LYS 11 2HB LYS 11 -5.662 -6.471 -1.739
50 HG2 LYS 11 1HG LYS 11 -5.320 -6.086 -3.970
51 HG3 LYS 11 2HG LYS 11 -5.592 -7.830 -3.963
52 HD2 LYS 11 1HD LYS 11 -7.844 -7.558 -4.700
53 HD3 LYS 11 2HD LYS 11 -7.774 -5.810 -4.458
54 HE2 LYS 11 1HE LYS 11 -6.099 -5.633 -6.231
55 HE3 LYS 11 2HE LYS 11 -6.155 -7.380 -6.464
56 HZ1 LYS 11 3HZ LYS 11 -7.930 -5.355 -7.442
57 HZ2 LYS 11 1HZ LYS 11 -8.755 -6.615 -6.672
58 HZ3 LYS 11 2HZ LYS 11 -7.719 -6.950 -7.966
59 HA PRO 12 HA PRO 12 -6.184 -9.505 2.076
60 HB2 PRO 12 1HB PRO 12 -3.568 -10.229 2.131
61 HB3 PRO 12 2HB PRO 12 -4.852 -11.308 1.571
62 HG2 PRO 12 1HG PRO 12 -2.959 -9.627 -0.027
63 HG3 PRO 12 2HG PRO 12 -3.483 -11.298 -0.308
64 HD2 PRO 12 1HD PRO 12 -4.527 -9.197 -1.659
65 HD3 PRO 12 2HD PRO 12 -5.475 -10.645 -1.265
66 H TYR 13 H TYR 13 -4.836 -7.021 0.307
67 HA TYR 13 HA TYR 13 -3.820 -5.741 2.753
68 HB2 TYR 13 1HB TYR 13 -2.605 -5.178 0.062
69 HB3 TYR 13 2HB TYR 13 -1.942 -4.857 1.660
70 HD1 TYR 13 HD1 TYR 13 -2.155 -7.397 3.031
71 HD2 TYR 13 HD2 TYR 13 -1.150 -6.610 -1.028
72 HE1 TYR 13 HE1 TYR 13 -0.899 -9.510 2.939
73 HE2 TYR 13 HE2 TYR 13 0.107 -8.722 -1.132
74 HH TYR 13 HH TYR 13 -0.215 -11.143 0.624
75 H LYS 14 H LYS 14 -4.239 -3.556 2.979
76 HA LYS 14 HA LYS 14 -5.578 -2.110 0.852
77 HB2 LYS 14 1HB LYS 14 -7.413 -3.332 1.964
78 HB3 LYS 14 2HB LYS 14 -6.953 -2.609 3.500
79 HG2 LYS 14 1HG LYS 14 -7.586 -0.822 1.205
80 HG3 LYS 14 2HG LYS 14 -8.906 -1.615 2.068
81 HD2 LYS 14 1HD LYS 14 -7.617 -0.716 4.182
82 HD3 LYS 14 2HD LYS 14 -6.976 0.447 3.019
83 HE2 LYS 14 1HE LYS 14 -8.913 1.419 4.008
84 HE3 LYS 14 2HE LYS 14 -9.338 0.955 2.361
85 HZ1 LYS 14 3HZ LYS 14 -11.110 0.113 3.478
86 HZ2 LYS 14 1HZ LYS 14 -10.244 -0.172 4.903
87 HZ3 LYS 14 2HZ LYS 14 -10.085 -1.228 3.592
88 H CYS 15 H CYS 15 -4.714 -0.151 0.827
89 HA CYS 15 HA CYS 15 -3.117 0.841 2.959
90 HB2 CYS 15 1HB CYS 15 -2.769 1.341 0.520
91 HB3 CYS 15 2HB CYS 15 -4.179 2.392 0.593
92 H SER 16 H SER 16 -4.569 0.861 4.744
93 HA SER 16 HA SER 16 -7.015 2.089 4.940
94 HB2 SER 16 1HB SER 16 -5.563 0.811 6.718
95 HB3 SER 16 2HB SER 16 -5.052 2.435 7.178
96 HG SER 16 HG SER 16 -7.479 2.820 7.159
97 H ASP 17 H ASP 17 -3.896 3.559 4.634
98 HA ASP 17 HA ASP 17 -4.437 6.114 5.649
99 HB2 ASP 17 1HB ASP 17 -2.454 4.961 3.754
100 HB3 ASP 17 2HB ASP 17 -2.658 6.710 3.742
101 H CYS 18 H CYS 18 -4.558 4.979 2.269
102 HA CYS 18 HA CYS 18 -6.234 7.304 1.623
103 HB2 CYS 18 1HB CYS 18 -5.608 6.965 -0.687
104 HB3 CYS 18 2HB CYS 18 -4.149 6.980 0.299
105 H GLY 19 H GLY 19 -6.003 3.794 1.102
106 HA2 GLY 19 1HA GLY 19 -8.072 2.519 1.541
107 HA3 GLY 19 2HA GLY 19 -8.928 3.784 0.671
108 H LYS 20 H LYS 20 -5.839 2.510 -0.368
109 HA LYS 20 HA LYS 20 -7.118 1.563 -2.823
110 HB2 LYS 20 1HB LYS 20 -4.986 3.124 -2.604
111 HB3 LYS 20 2HB LYS 20 -4.155 1.581 -2.461
112 HG2 LYS 20 1HG LYS 20 -5.099 0.876 -4.606
113 HG3 LYS 20 2HG LYS 20 -5.914 2.435 -4.752
114 HD2 LYS 20 1HD LYS 20 -3.774 3.580 -4.785
115 HD3 LYS 20 2HD LYS 20 -2.927 2.051 -4.538
116 HE2 LYS 20 1HE LYS 20 -2.743 2.362 -6.825
117 HE3 LYS 20 2HE LYS 20 -4.151 1.309 -6.697
118 HZ1 LYS 20 3HZ LYS 20 -4.130 4.237 -7.162
119 HZ2 LYS 20 1HZ LYS 20 -5.532 3.368 -6.785
120 HZ3 LYS 20 2HZ LYS 20 -4.685 3.031 -8.210
121 H SER 21 H SER 21 -6.480 -0.484 -3.759
122 HA SER 21 HA SER 21 -5.847 -2.486 -1.694
123 HB2 SER 21 1HB SER 21 -7.127 -4.092 -3.037
124 HB3 SER 21 2HB SER 21 -8.120 -2.693 -2.627
125 HG SER 21 HG SER 21 -7.942 -3.588 -4.952
126 H PHE 22 H PHE 22 -4.274 -3.984 -2.055
127 HA PHE 22 HA PHE 22 -2.871 -3.886 -4.638
128 HB2 PHE 22 1HB PHE 22 -1.508 -4.020 -1.942
129 HB3 PHE 22 2HB PHE 22 -0.721 -3.950 -3.515
130 HD1 PHE 22 HD1 PHE 22 -3.088 -2.028 -1.378
131 HD2 PHE 22 HD2 PHE 22 -0.035 -1.911 -4.341
132 HE1 PHE 22 HE1 PHE 22 -3.059 0.429 -1.246
133 HE2 PHE 22 HE2 PHE 22 0.000 0.546 -4.213
134 HZ PHE 22 HZ PHE 22 -1.512 1.719 -2.664
135 H THR 23 H THR 23 -1.510 -5.790 -5.046
136 HA THR 23 HA THR 23 -2.729 -8.197 -3.873
137 HB THR 23 HB THR 23 -1.289 -7.890 -6.516
138 HG1 THR 23 HG1 THR 23 -3.985 -7.819 -5.739
139 HG21 THR 23 3HG2 THR 23 -1.838 -10.150 -6.969
140 HG22 THR 23 1HG2 THR 23 -2.878 -10.260 -5.550
141 HG23 THR 23 2HG2 THR 23 -1.129 -10.140 -5.355
142 H TRP 24 H TRP 24 0.363 -6.779 -4.853
143 HA TRP 24 HA TRP 24 1.782 -8.927 -3.449
144 HB2 TRP 24 1HB TRP 24 2.663 -6.849 -5.447
145 HB3 TRP 24 2HB TRP 24 3.821 -7.796 -4.515
146 HD1 TRP 24 HD1 TRP 24 1.367 -8.071 -7.407
147 HE1 TRP 24 HE1 TRP 24 1.716 -10.332 -8.588
148 HE3 TRP 24 HE3 TRP 24 4.579 -10.240 -4.073
149 HZ2 TRP 24 HZ2 TRP 24 3.162 -12.719 -8.162
150 HZ3 TRP 24 HZ3 TRP 24 5.398 -12.514 -4.533
151 HH2 TRP 24 HH2 TRP 24 4.702 -13.726 -6.535
152 H LYS 25 H LYS 25 2.785 -8.606 -1.560
153 HA LYS 25 HA LYS 25 2.274 -6.493 0.110
154 HB2 LYS 25 1HB LYS 25 4.529 -8.475 0.025
155 HB3 LYS 25 2HB LYS 25 4.487 -7.224 1.260
156 HG2 LYS 25 1HG LYS 25 2.111 -8.981 0.823
157 HG3 LYS 25 2HG LYS 25 3.488 -9.554 1.768
158 HD2 LYS 25 1HD LYS 25 3.261 -7.425 3.126
159 HD3 LYS 25 2HD LYS 25 1.713 -7.184 2.313
160 HE2 LYS 25 1HE LYS 25 1.005 -8.305 4.173
161 HE3 LYS 25 2HE LYS 25 1.310 -9.670 3.100
162 HZ1 LYS 25 3HZ LYS 25 3.045 -10.356 4.327
163 HZ2 LYS 25 1HZ LYS 25 2.305 -9.467 5.562
164 HZ3 LYS 25 2HZ LYS 25 3.578 -8.790 4.678
165 H SER 26 H SER 26 5.397 -6.999 -1.547
166 HA SER 26 HA SER 26 6.733 -4.748 -0.937
167 HB2 SER 26 1HB SER 26 7.364 -6.622 -2.598
168 HB3 SER 26 2HB SER 26 6.604 -5.605 -3.822
169 HG SER 26 HG SER 26 9.045 -5.393 -2.764
170 H ARG 27 H ARG 27 4.609 -4.909 -3.802
171 HA ARG 27 HA ARG 27 4.617 -2.384 -4.694
172 HB2 ARG 27 1HB ARG 27 2.089 -3.977 -4.230
173 HB3 ARG 27 2HB ARG 27 2.274 -2.643 -5.361
174 HG2 ARG 27 1HG ARG 27 3.834 -5.212 -5.511
175 HG3 ARG 27 2HG ARG 27 2.347 -4.893 -6.407
176 HD2 ARG 27 1HD ARG 27 3.569 -2.796 -7.265
177 HD3 ARG 27 2HD ARG 27 5.033 -3.588 -6.684
178 HE ARG 27 HE ARG 27 4.894 -5.074 -8.431
179 HH11 ARG 27 1HH1 ARG 27 1.918 -3.285 -8.176
180 HH12 ARG 27 2HH1 ARG 27 1.287 -3.867 -9.681
181 HH21 ARG 27 1HH2 ARG 27 4.074 -5.847 -10.414
182 HH22 ARG 27 2HH2 ARG 27 2.514 -5.324 -10.953
183 H LEU 28 H LEU 28 2.503 -3.453 -2.029
184 HA LEU 28 HA LEU 28 1.317 -1.060 -1.390
185 HB2 LEU 28 1HB LEU 28 0.674 -3.125 -0.332
186 HB3 LEU 28 2HB LEU 28 2.247 -3.256 0.452
187 HG LEU 28 HG LEU 28 1.687 -1.198 1.752
188 HD11 LEU 28 1HD1 LEU 28 -1.167 -1.608 0.989
189 HD12 LEU 28 2HD1 LEU 28 -0.132 -0.592 -0.014
190 HD13 LEU 28 3HD1 LEU 28 -0.380 -0.192 1.685
191 HD21 LEU 28 3HD2 LEU 28 1.352 -2.925 3.152
192 HD22 LEU 28 1HD2 LEU 28 0.392 -3.827 1.979
193 HD23 LEU 28 2HD2 LEU 28 -0.354 -2.537 2.923
194 H ARG 29 H ARG 29 4.440 -2.290 -0.228
195 HA ARG 29 HA ARG 29 5.106 -0.281 1.544
196 HB2 ARG 29 1HB ARG 29 6.959 -1.745 -0.346
197 HB3 ARG 29 2HB ARG 29 7.458 -0.858 1.088
198 HG2 ARG 29 1HG ARG 29 5.449 -3.022 1.406
199 HG3 ARG 29 2HG ARG 29 7.132 -3.469 1.117
200 HD2 ARG 29 1HD ARG 29 6.386 -1.478 3.232
201 HD3 ARG 29 2HD ARG 29 6.332 -3.212 3.549
202 HE ARG 29 HE ARG 29 8.829 -2.357 2.437
203 HH11 ARG 29 1HH1 ARG 29 6.983 -2.650 5.374
204 HH12 ARG 29 2HH1 ARG 29 8.379 -2.717 6.399
205 HH21 ARG 29 1HH2 ARG 29 10.674 -2.443 3.776
206 HH22 ARG 29 2HH2 ARG 29 10.478 -2.598 5.489
207 H ILE 30 H ILE 30 6.324 -0.435 -1.807
208 HA ILE 30 HA ILE 30 7.411 2.063 -1.999
209 HB ILE 30 HB ILE 30 5.823 0.867 -4.261
210 HG12 ILE 30 1HG1 ILE 30 8.288 -0.117 -4.687
211 HG13 ILE 30 2HG1 ILE 30 8.295 -0.101 -2.927
212 HG21 ILE 30 1HG2 ILE 30 7.334 3.162 -4.091
213 HG22 ILE 30 2HG2 ILE 30 8.445 1.998 -4.811
214 HG23 ILE 30 3HG2 ILE 30 6.890 2.321 -5.576
215 HD11 ILE 30 3HD1 ILE 30 7.364 -2.114 -3.104
216 HD12 ILE 30 1HD1 ILE 30 5.879 -1.238 -3.475
217 HD13 ILE 30 2HD1 ILE 30 6.892 -1.853 -4.782
218 H HIS 31 H HIS 31 4.022 1.186 -2.599
219 HA HIS 31 HA HIS 31 3.017 3.586 -3.473
220 HB2 HIS 31 1HB HIS 31 1.613 1.633 -3.386
221 HB3 HIS 31 2HB HIS 31 1.747 1.554 -1.631
222 HD1 HIS 31 HD1 HIS 31 0.350 3.894 -4.281
223 HD2 HIS 31 HD2 HIS 31 -0.275 2.799 -0.322
224 HE1 HIS 31 HE1 HIS 31 -1.730 5.113 -3.567
225 H GLN 32 H GLN 32 3.216 2.530 -0.072
226 HA GLN 32 HA GLN 32 2.235 4.776 1.164
227 HB2 GLN 32 1HB GLN 32 4.400 2.859 2.002
228 HB3 GLN 32 2HB GLN 32 3.860 4.162 3.051
229 HG2 GLN 32 1HG GLN 32 1.554 3.254 2.893
230 HG3 GLN 32 2HG GLN 32 2.205 1.887 1.990
231 HE21 GLN 32 1HE2 GLN 32 0.979 1.013 4.015
232 HE22 GLN 32 2HE2 GLN 32 1.993 0.643 5.363
233 H LYS 33 H LYS 33 5.630 4.156 0.288
234 HA LYS 33 HA LYS 33 6.822 6.435 1.219
235 HB2 LYS 33 1HB LYS 33 7.328 4.770 -1.226
236 HB3 LYS 33 2HB LYS 33 8.294 6.207 -0.919
237 HG2 LYS 33 1HG LYS 33 9.560 4.507 0.008
238 HG3 LYS 33 2HG LYS 33 8.705 5.172 1.402
239 HD2 LYS 33 1HD LYS 33 7.152 3.375 1.414
240 HD3 LYS 33 2HD LYS 33 7.700 2.804 -0.164
241 HE2 LYS 33 1HE LYS 33 8.811 1.332 1.180
242 HE3 LYS 33 2HE LYS 33 10.012 2.620 1.100
243 HZ1 LYS 33 3HZ LYS 33 8.903 3.492 3.196
244 HZ2 LYS 33 1HZ LYS 33 9.843 2.094 3.350
245 HZ3 LYS 33 2HZ LYS 33 8.156 1.979 3.310
246 H CYS 34 H CYS 34 4.988 6.048 -1.780
247 HA CYS 34 HA CYS 34 5.493 8.555 -2.902
248 HB2 CYS 34 1HB CYS 34 4.288 6.518 -3.920
249 HB3 CYS 34 2HB CYS 34 2.840 7.153 -3.149
250 HG CYS 34 HG CYS 34 4.113 9.664 -4.713
251 H HIS 35 H HIS 35 2.778 7.527 -0.838
252 HA HIS 35 HA HIS 35 1.286 9.777 -0.675
253 HB2 HIS 35 1HB HIS 35 2.001 7.696 1.339
254 HB3 HIS 35 2HB HIS 35 1.126 9.120 1.894
255 HD1 HIS 35 HD1 HIS 35 -0.781 9.482 -0.512
256 HD2 HIS 35 HD2 HIS 35 -0.006 5.850 1.351
257 HE1 HIS 35 HE1 HIS 35 -2.769 8.028 -1.020
258 H THR 36 H THR 36 4.208 9.148 1.254
259 HA THR 36 HA THR 36 4.180 11.699 2.525
260 HB THR 36 HB THR 36 6.472 11.134 3.265
261 HG1 THR 36 HG1 THR 36 6.079 8.848 1.606
262 HG21 THR 36 3HG2 THR 36 5.725 9.700 4.853
263 HG22 THR 36 1HG2 THR 36 5.047 8.579 3.674
264 HG23 THR 36 2HG2 THR 36 4.161 10.039 4.113
265 H GLY 37 H GLY 37 5.912 10.343 -0.253
266 HA2 GLY 37 1HA GLY 37 7.368 12.799 -0.714
267 HA3 GLY 37 2HA GLY 37 7.404 11.358 -1.719
268 H GLU 38 H GLU 38 4.736 13.483 -0.698
269 HA GLU 38 HA GLU 38 3.961 13.705 -3.521
270 HB2 GLU 38 1HB GLU 38 2.462 13.814 -0.942
271 HB3 GLU 38 2HB GLU 38 1.828 14.709 -2.316
272 HG2 GLU 38 1HG GLU 38 1.850 12.623 -3.638
273 HG3 GLU 38 2HG GLU 38 2.376 11.753 -2.198
274 H ARG 39 H ARG 39 2.646 15.889 -3.850
275 HA ARG 39 HA ARG 39 4.417 18.058 -2.931
276 HB2 ARG 39 1HB ARG 39 2.853 17.883 -5.514
277 HB3 ARG 39 2HB ARG 39 3.896 19.214 -5.030
278 HG2 ARG 39 1HG ARG 39 5.064 16.486 -5.143
279 HG3 ARG 39 2HG ARG 39 4.730 17.324 -6.660
280 HD2 ARG 39 1HD ARG 39 6.854 18.064 -6.281
281 HD3 ARG 39 2HD ARG 39 5.954 19.309 -5.416
282 HE ARG 39 HE ARG 39 6.407 17.458 -3.506
283 HH11 ARG 39 1HH1 ARG 39 8.479 19.070 -5.792
284 HH12 ARG 39 2HH1 ARG 39 9.874 19.015 -4.765
285 HH21 ARG 39 1HH2 ARG 39 8.236 17.379 -2.145
286 HH22 ARG 39 2HH2 ARG 39 9.734 18.052 -2.691
287 H HIS 40 H HIS 40 1.083 17.301 -3.899
288 HA HIS 40 HA HIS 40 0.069 19.766 -2.799
289 HB2 HIS 40 1HB HIS 40 -2.117 18.947 -3.480
290 HB3 HIS 40 2HB HIS 40 -0.961 18.708 -4.786
291 HD2 HIS 40 HD2 HIS 40 -3.428 16.691 -2.681
292 HE1 HIS 40 HE1 HIS 40 -1.074 13.899 -4.840
293 HE2 HIS 40 HE2 HIS 40 -3.162 14.244 -3.474
294 H SER 41 H SER 41 -1.768 19.704 -1.216
295 HA SER 41 HA SER 41 -0.941 18.153 1.089
296 HB2 SER 41 1HB SER 41 -2.277 19.614 2.383
297 HB3 SER 41 2HB SER 41 -1.590 20.636 1.120
298 HG SER 41 HG SER 41 -4.203 19.542 1.232
299 H GLY 42 H GLY 42 -2.509 16.995 2.425
300 HA2 GLY 42 1HA GLY 42 -4.953 16.113 1.115
301 HA3 GLY 42 2HA GLY 42 -3.721 14.879 1.337
302 HA PRO 43 HA PRO 43 -5.328 16.320 5.701
303 HB2 PRO 43 1HB PRO 43 -7.816 17.406 5.665
304 HB3 PRO 43 2HB PRO 43 -6.342 18.376 5.549
305 HG2 PRO 43 1HG PRO 43 -8.180 17.454 3.373
306 HG3 PRO 43 2HG PRO 43 -7.420 19.040 3.598
307 HD2 PRO 43 1HD PRO 43 -6.460 17.198 1.861
308 HD3 PRO 43 2HD PRO 43 -5.407 18.340 2.720
309 H SER 44 H SER 44 -5.646 14.266 6.348
310 HA SER 44 HA SER 44 -8.300 13.184 6.323
311 HB2 SER 44 1HB SER 44 -7.919 11.209 5.040
312 HB3 SER 44 2HB SER 44 -7.355 12.555 4.050
313 HG SER 44 HG SER 44 -5.976 10.437 4.990
314 H SER 45 H SER 45 -8.611 11.745 7.960
315 HA SER 45 HA SER 45 -6.351 11.345 9.761
316 HB2 SER 45 1HB SER 45 -9.298 10.788 10.183
317 HB3 SER 45 2HB SER 45 -8.043 10.700 11.418
318 HG SER 45 HG SER 45 -7.744 13.054 10.447
319 H GLY 46 H GLY 46 -9.051 9.348 8.540
320 HA2 GLY 46 1HA GLY 46 -9.210 7.035 8.418
321 HA3 GLY 46 2HA GLY 46 -7.777 7.263 7.426
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -22.398 2.076 -3.981
2 HA2 GLY 1 1HA GLY 1 -22.807 -0.392 -5.388
3 HA3 GLY 1 2HA GLY 1 -23.860 1.015 -5.421
4 H SER 2 H SER 2 -22.270 2.971 -6.425
5 HA SER 2 HA SER 2 -22.372 2.548 -9.168
6 HB2 SER 2 1HB SER 2 -22.295 4.780 -8.051
7 HB3 SER 2 2HB SER 2 -20.578 4.524 -7.738
8 HG SER 2 HG SER 2 -20.223 5.200 -9.683
9 H SER 3 H SER 3 -19.496 2.590 -7.065
10 HA SER 3 HA SER 3 -18.076 1.053 -9.141
11 HB2 SER 3 1HB SER 3 -17.311 3.479 -8.411
12 HB3 SER 3 2HB SER 3 -16.580 2.602 -7.067
13 HG SER 3 HG SER 3 -15.538 1.278 -8.672
14 H GLY 4 H GLY 4 -18.431 1.547 -5.645
15 HA2 GLY 4 1HA GLY 4 -16.842 -0.274 -4.498
16 HA3 GLY 4 2HA GLY 4 -18.512 -0.083 -3.988
17 H SER 5 H SER 5 -16.233 -2.208 -5.227
18 HA SER 5 HA SER 5 -18.347 -4.107 -6.012
19 HB2 SER 5 1HB SER 5 -16.936 -3.451 -7.927
20 HB3 SER 5 2HB SER 5 -15.504 -3.986 -7.048
21 HG SER 5 HG SER 5 -16.467 -6.096 -7.008
22 H SER 6 H SER 6 -18.508 -4.824 -3.835
23 HA SER 6 HA SER 6 -16.236 -6.496 -2.980
24 HB2 SER 6 1HB SER 6 -17.014 -6.110 -0.635
25 HB3 SER 6 2HB SER 6 -16.447 -4.645 -1.436
26 HG SER 6 HG SER 6 -19.024 -5.377 -0.666
27 H GLY 7 H GLY 7 -16.738 -8.557 -3.323
28 HA2 GLY 7 1HA GLY 7 -18.913 -9.816 -2.037
29 HA3 GLY 7 2HA GLY 7 -19.307 -9.578 -3.733
30 H THR 8 H THR 8 -17.505 -10.312 -5.271
31 HA THR 8 HA THR 8 -17.146 -13.068 -4.977
32 HB THR 8 HB THR 8 -15.547 -12.882 -6.887
33 HG1 THR 8 HG1 THR 8 -16.129 -10.096 -6.738
34 HG21 THR 8 3HG2 THR 8 -17.857 -11.141 -7.592
35 HG22 THR 8 1HG2 THR 8 -18.188 -12.755 -6.966
36 HG23 THR 8 2HG2 THR 8 -17.216 -12.557 -8.425
37 H GLY 9 H GLY 9 -14.802 -10.416 -4.574
38 HA2 GLY 9 1HA GLY 9 -13.466 -11.267 -2.384
39 HA3 GLY 9 2HA GLY 9 -12.749 -12.237 -3.663
40 H GLU 10 H GLU 10 -11.800 -9.940 -1.879
41 HA GLU 10 HA GLU 10 -10.748 -8.251 -4.053
42 HB2 GLU 10 1HB GLU 10 -11.210 -7.483 -1.165
43 HB3 GLU 10 2HB GLU 10 -10.534 -6.439 -2.409
44 HG2 GLU 10 1HG GLU 10 -12.798 -7.035 -3.632
45 HG3 GLU 10 2HG GLU 10 -13.333 -7.313 -1.976
46 H LYS 11 H LYS 11 -8.656 -7.071 -3.167
47 HA LYS 11 HA LYS 11 -6.695 -9.089 -2.859
48 HB2 LYS 11 1HB LYS 11 -6.707 -6.117 -2.967
49 HB3 LYS 11 2HB LYS 11 -5.289 -6.892 -2.274
50 HG2 LYS 11 1HG LYS 11 -4.811 -6.563 -4.554
51 HG3 LYS 11 2HG LYS 11 -5.170 -8.282 -4.375
52 HD2 LYS 11 1HD LYS 11 -7.409 -6.447 -5.056
53 HD3 LYS 11 2HD LYS 11 -6.233 -6.825 -6.317
54 HE2 LYS 11 1HE LYS 11 -6.655 -9.182 -6.070
55 HE3 LYS 11 2HE LYS 11 -7.704 -8.889 -4.684
56 HZ1 LYS 11 3HZ LYS 11 -8.878 -7.379 -6.540
57 HZ2 LYS 11 1HZ LYS 11 -9.303 -8.989 -6.238
58 HZ3 LYS 11 2HZ LYS 11 -8.260 -8.615 -7.516
59 HA PRO 12 HA PRO 12 -6.579 -9.594 1.513
60 HB2 PRO 12 1HB PRO 12 -4.039 -10.517 1.771
61 HB3 PRO 12 2HB PRO 12 -5.354 -11.496 1.109
62 HG2 PRO 12 1HG PRO 12 -3.217 -9.971 -0.330
63 HG3 PRO 12 2HG PRO 12 -3.844 -11.598 -0.656
64 HD2 PRO 12 1HD PRO 12 -4.615 -9.427 -2.080
65 HD3 PRO 12 2HD PRO 12 -5.699 -10.797 -1.766
66 H TYR 13 H TYR 13 -4.770 -7.297 -0.165
67 HA TYR 13 HA TYR 13 -3.814 -6.112 2.360
68 HB2 TYR 13 1HB TYR 13 -2.585 -5.662 -0.362
69 HB3 TYR 13 2HB TYR 13 -1.943 -5.163 1.199
70 HD1 TYR 13 HD1 TYR 13 -1.221 -6.980 2.831
71 HD2 TYR 13 HD2 TYR 13 -2.027 -7.750 -1.275
72 HE1 TYR 13 HE1 TYR 13 0.060 -9.074 2.979
73 HE2 TYR 13 HE2 TYR 13 -0.750 -9.848 -1.138
74 HH TYR 13 HH TYR 13 1.256 -10.676 0.497
75 H LYS 14 H LYS 14 -4.094 -3.910 2.664
76 HA LYS 14 HA LYS 14 -5.373 -2.317 0.605
77 HB2 LYS 14 1HB LYS 14 -7.255 -3.483 1.712
78 HB3 LYS 14 2HB LYS 14 -6.746 -2.809 3.255
79 HG2 LYS 14 1HG LYS 14 -7.062 -0.528 2.219
80 HG3 LYS 14 2HG LYS 14 -7.850 -1.352 0.872
81 HD2 LYS 14 1HD LYS 14 -9.433 -2.368 2.502
82 HD3 LYS 14 2HD LYS 14 -8.696 -1.383 3.768
83 HE2 LYS 14 1HE LYS 14 -9.652 -0.019 1.307
84 HE3 LYS 14 2HE LYS 14 -10.859 -0.596 2.455
85 HZ1 LYS 14 3HZ LYS 14 -10.478 1.434 3.338
86 HZ2 LYS 14 1HZ LYS 14 -8.901 1.544 2.736
87 HZ3 LYS 14 2HZ LYS 14 -9.216 0.621 4.118
88 H CYS 15 H CYS 15 -4.491 -0.363 0.653
89 HA CYS 15 HA CYS 15 -2.682 0.461 2.640
90 HB2 CYS 15 1HB CYS 15 -2.686 1.252 0.270
91 HB3 CYS 15 2HB CYS 15 -4.114 2.215 0.636
92 H SER 16 H SER 16 -3.115 1.102 4.635
93 HA SER 16 HA SER 16 -5.760 2.109 5.307
94 HB2 SER 16 1HB SER 16 -3.385 1.216 6.928
95 HB3 SER 16 2HB SER 16 -4.730 2.077 7.677
96 HG SER 16 HG SER 16 -5.031 -0.176 7.783
97 H ASP 17 H ASP 17 -4.380 3.859 3.677
98 HA ASP 17 HA ASP 17 -3.950 6.112 5.514
99 HB2 ASP 17 1HB ASP 17 -2.251 5.409 3.113
100 HB3 ASP 17 2HB ASP 17 -2.168 6.949 3.964
101 H CYS 18 H CYS 18 -4.917 4.951 2.352
102 HA CYS 18 HA CYS 18 -6.453 7.431 1.981
103 HB2 CYS 18 1HB CYS 18 -5.984 7.338 -0.439
104 HB3 CYS 18 2HB CYS 18 -4.513 7.551 0.506
105 H GLY 19 H GLY 19 -6.052 4.035 1.026
106 HA2 GLY 19 1HA GLY 19 -8.087 2.647 1.422
107 HA3 GLY 19 2HA GLY 19 -8.976 3.922 0.601
108 H LYS 20 H LYS 20 -6.068 1.950 -0.027
109 HA LYS 20 HA LYS 20 -7.116 1.478 -2.742
110 HB2 LYS 20 1HB LYS 20 -4.308 1.904 -1.755
111 HB3 LYS 20 2HB LYS 20 -4.617 1.065 -3.269
112 HG2 LYS 20 1HG LYS 20 -5.922 3.696 -2.854
113 HG3 LYS 20 2HG LYS 20 -4.185 3.668 -3.170
114 HD2 LYS 20 1HD LYS 20 -4.515 2.512 -5.241
115 HD3 LYS 20 2HD LYS 20 -6.229 2.274 -4.894
116 HE2 LYS 20 1HE LYS 20 -6.375 4.081 -6.278
117 HE3 LYS 20 2HE LYS 20 -6.190 4.915 -4.736
118 HZ1 LYS 20 3HZ LYS 20 -3.642 4.355 -5.758
119 HZ2 LYS 20 1HZ LYS 20 -4.362 5.864 -5.503
120 HZ3 LYS 20 2HZ LYS 20 -4.549 5.078 -6.989
121 H SER 21 H SER 21 -5.919 -0.549 -3.714
122 HA SER 21 HA SER 21 -5.752 -2.677 -1.701
123 HB2 SER 21 1HB SER 21 -7.648 -2.518 -4.015
124 HB3 SER 21 2HB SER 21 -7.036 -4.094 -3.510
125 HG SER 21 HG SER 21 -8.125 -2.297 -1.632
126 H PHE 22 H PHE 22 -3.981 -3.853 -1.970
127 HA PHE 22 HA PHE 22 -2.794 -4.013 -4.662
128 HB2 PHE 22 1HB PHE 22 -1.322 -3.870 -2.022
129 HB3 PHE 22 2HB PHE 22 -0.574 -4.038 -3.607
130 HD1 PHE 22 HD1 PHE 22 -2.826 -1.784 -1.683
131 HD2 PHE 22 HD2 PHE 22 0.100 -2.151 -4.752
132 HE1 PHE 22 HE1 PHE 22 -2.750 0.666 -1.899
133 HE2 PHE 22 HE2 PHE 22 0.181 0.298 -4.972
134 HZ PHE 22 HZ PHE 22 -1.245 1.710 -3.544
135 H THR 23 H THR 23 -1.648 -5.946 -5.165
136 HA THR 23 HA THR 23 -2.666 -8.267 -3.687
137 HB THR 23 HB THR 23 -1.387 -8.261 -6.424
138 HG1 THR 23 HG1 THR 23 -3.810 -8.607 -6.909
139 HG21 THR 23 3HG2 THR 23 -2.751 -10.293 -4.720
140 HG22 THR 23 1HG2 THR 23 -1.331 -10.460 -5.751
141 HG23 THR 23 2HG2 THR 23 -2.940 -10.390 -6.471
142 H TRP 24 H TRP 24 0.015 -6.420 -3.693
143 HA TRP 24 HA TRP 24 1.709 -8.682 -2.887
144 HB2 TRP 24 1HB TRP 24 3.047 -6.347 -4.149
145 HB3 TRP 24 2HB TRP 24 3.488 -8.052 -4.181
146 HD1 TRP 24 HD1 TRP 24 3.055 -9.256 -6.400
147 HE1 TRP 24 HE1 TRP 24 1.659 -8.781 -8.510
148 HE3 TRP 24 HE3 TRP 24 0.635 -5.031 -4.838
149 HZ2 TRP 24 HZ2 TRP 24 -0.218 -6.868 -9.395
150 HZ3 TRP 24 HZ3 TRP 24 -0.944 -3.940 -6.378
151 HH2 TRP 24 HH2 TRP 24 -1.360 -4.840 -8.609
152 H LYS 25 H LYS 25 3.078 -8.312 -1.161
153 HA LYS 25 HA LYS 25 2.288 -6.257 0.649
154 HB2 LYS 25 1HB LYS 25 4.271 -8.485 0.676
155 HB3 LYS 25 2HB LYS 25 4.457 -7.195 1.857
156 HG2 LYS 25 1HG LYS 25 2.323 -7.635 2.800
157 HG3 LYS 25 2HG LYS 25 1.899 -8.731 1.482
158 HD2 LYS 25 1HD LYS 25 3.360 -10.392 2.238
159 HD3 LYS 25 2HD LYS 25 4.273 -9.261 3.239
160 HE2 LYS 25 1HE LYS 25 3.048 -10.283 4.865
161 HE3 LYS 25 2HE LYS 25 1.923 -8.997 4.432
162 HZ1 LYS 25 3HZ LYS 25 1.813 -11.859 3.730
163 HZ2 LYS 25 1HZ LYS 25 0.998 -10.713 2.789
164 HZ3 LYS 25 2HZ LYS 25 0.615 -10.889 4.428
165 H SER 26 H SER 26 5.189 -6.840 -1.303
166 HA SER 26 HA SER 26 6.613 -4.572 -0.371
167 HB2 SER 26 1HB SER 26 7.725 -6.490 -1.450
168 HB3 SER 26 2HB SER 26 6.930 -6.090 -2.972
169 HG SER 26 HG SER 26 8.040 -3.887 -2.352
170 H ARG 27 H ARG 27 4.792 -5.162 -3.375
171 HA ARG 27 HA ARG 27 5.110 -2.725 -4.605
172 HB2 ARG 27 1HB ARG 27 2.554 -4.337 -4.548
173 HB3 ARG 27 2HB ARG 27 3.023 -3.166 -5.773
174 HG2 ARG 27 1HG ARG 27 4.596 -5.661 -5.192
175 HG3 ARG 27 2HG ARG 27 3.315 -5.575 -6.403
176 HD2 ARG 27 1HD ARG 27 4.727 -3.462 -7.179
177 HD3 ARG 27 2HD ARG 27 6.027 -4.368 -6.405
178 HE ARG 27 HE ARG 27 4.628 -6.098 -8.103
179 HH11 ARG 27 1HH1 ARG 27 6.702 -3.308 -8.276
180 HH12 ARG 27 2HH1 ARG 27 7.345 -3.720 -9.831
181 HH21 ARG 27 1HH2 ARG 27 5.467 -6.652 -10.150
182 HH22 ARG 27 2HH2 ARG 27 6.641 -5.622 -10.897
183 H LEU 28 H LEU 28 3.079 -3.542 -1.882
184 HA LEU 28 HA LEU 28 1.476 -1.201 -1.916
185 HB2 LEU 28 1HB LEU 28 0.774 -3.184 -0.727
186 HB3 LEU 28 2HB LEU 28 2.184 -3.086 0.327
187 HG LEU 28 HG LEU 28 1.261 -0.901 1.175
188 HD11 LEU 28 1HD1 LEU 28 -1.181 -1.831 -0.328
189 HD12 LEU 28 2HD1 LEU 28 -0.228 -0.386 -0.668
190 HD13 LEU 28 3HD1 LEU 28 -1.137 -0.508 0.838
191 HD21 LEU 28 3HD2 LEU 28 -0.059 -1.945 2.789
192 HD22 LEU 28 1HD2 LEU 28 1.010 -3.231 2.226
193 HD23 LEU 28 2HD2 LEU 28 -0.657 -3.156 1.654
194 H ARG 29 H ARG 29 4.441 -2.083 -0.181
195 HA ARG 29 HA ARG 29 4.735 0.107 1.459
196 HB2 ARG 29 1HB ARG 29 6.805 -1.520 -0.012
197 HB3 ARG 29 2HB ARG 29 7.233 -0.272 1.151
198 HG2 ARG 29 1HG ARG 29 5.610 -1.612 2.714
199 HG3 ARG 29 2HG ARG 29 5.970 -2.927 1.594
200 HD2 ARG 29 1HD ARG 29 8.010 -1.291 3.099
201 HD3 ARG 29 2HD ARG 29 7.482 -2.918 3.530
202 HE ARG 29 HE ARG 29 9.330 -2.186 1.451
203 HH11 ARG 29 1HH1 ARG 29 7.091 -4.602 2.578
204 HH12 ARG 29 2HH1 ARG 29 7.845 -5.895 1.705
205 HH21 ARG 29 1HH2 ARG 29 10.332 -3.879 0.298
206 HH22 ARG 29 2HH2 ARG 29 9.689 -5.483 0.409
207 H ILE 30 H ILE 30 6.100 -0.225 -1.822
208 HA ILE 30 HA ILE 30 7.216 2.248 -2.139
209 HB ILE 30 HB ILE 30 5.668 0.717 -4.232
210 HG12 ILE 30 1HG1 ILE 30 8.182 0.195 -4.857
211 HG13 ILE 30 2HG1 ILE 30 8.452 0.544 -3.153
212 HG21 ILE 30 1HG2 ILE 30 6.919 1.967 -5.874
213 HG22 ILE 30 2HG2 ILE 30 6.055 3.084 -4.820
214 HG23 ILE 30 3HG2 ILE 30 7.787 2.829 -4.604
215 HD11 ILE 30 3HD1 ILE 30 6.249 -1.313 -3.747
216 HD12 ILE 30 1HD1 ILE 30 7.875 -1.892 -4.110
217 HD13 ILE 30 2HD1 ILE 30 7.471 -1.361 -2.477
218 H HIS 31 H HIS 31 3.807 1.388 -2.459
219 HA HIS 31 HA HIS 31 2.915 3.881 -3.442
220 HB2 HIS 31 1HB HIS 31 1.482 1.980 -3.682
221 HB3 HIS 31 2HB HIS 31 1.494 1.675 -1.948
222 HD1 HIS 31 HD1 HIS 31 -0.086 3.824 -4.555
223 HD2 HIS 31 HD2 HIS 31 -0.235 3.292 -0.437
224 HE1 HIS 31 HE1 HIS 31 -2.114 5.097 -3.785
225 H GLN 32 H GLN 32 2.621 2.517 -0.155
226 HA GLN 32 HA GLN 32 1.613 4.703 1.151
227 HB2 GLN 32 1HB GLN 32 3.553 2.596 2.085
228 HB3 GLN 32 2HB GLN 32 2.921 3.827 3.170
229 HG2 GLN 32 1HG GLN 32 0.608 3.032 2.414
230 HG3 GLN 32 2HG GLN 32 1.452 1.621 1.778
231 HE21 GLN 32 1HE2 GLN 32 1.510 -0.039 3.095
232 HE22 GLN 32 2HE2 GLN 32 1.479 0.020 4.822
233 H LYS 33 H LYS 33 4.886 4.169 0.054
234 HA LYS 33 HA LYS 33 6.060 6.313 1.529
235 HB2 LYS 33 1HB LYS 33 6.987 4.769 -0.894
236 HB3 LYS 33 2HB LYS 33 7.957 6.008 -0.109
237 HG2 LYS 33 1HG LYS 33 8.299 4.730 1.784
238 HG3 LYS 33 2HG LYS 33 6.881 3.722 1.484
239 HD2 LYS 33 1HD LYS 33 7.973 2.415 -0.065
240 HD3 LYS 33 2HD LYS 33 9.128 3.684 -0.479
241 HE2 LYS 33 1HE LYS 33 9.871 3.333 2.032
242 HE3 LYS 33 2HE LYS 33 9.154 1.743 1.777
243 HZ1 LYS 33 3HZ LYS 33 11.357 2.973 0.215
244 HZ2 LYS 33 1HZ LYS 33 10.597 1.520 -0.202
245 HZ3 LYS 33 2HZ LYS 33 11.463 1.636 1.246
246 H CYS 34 H CYS 34 4.791 5.955 -1.752
247 HA CYS 34 HA CYS 34 5.583 8.363 -2.852
248 HB2 CYS 34 1HB CYS 34 3.022 6.814 -3.269
249 HB3 CYS 34 2HB CYS 34 3.521 8.169 -4.276
250 HG CYS 34 HG CYS 34 4.305 5.018 -4.564
251 H HIS 35 H HIS 35 2.674 7.678 -0.934
252 HA HIS 35 HA HIS 35 1.235 9.924 -1.010
253 HB2 HIS 35 1HB HIS 35 2.053 8.292 1.379
254 HB3 HIS 35 2HB HIS 35 0.980 9.678 1.558
255 HD1 HIS 35 HD1 HIS 35 -0.842 9.314 -0.858
256 HD2 HIS 35 HD2 HIS 35 0.350 6.193 1.612
257 HE1 HIS 35 HE1 HIS 35 -2.586 7.525 -1.145
258 H THR 36 H THR 36 4.065 9.611 1.140
259 HA THR 36 HA THR 36 4.071 12.389 1.805
260 HB THR 36 HB THR 36 6.213 11.931 2.918
261 HG1 THR 36 HG1 THR 36 5.958 9.456 1.553
262 HG21 THR 36 3HG2 THR 36 3.786 11.057 3.693
263 HG22 THR 36 1HG2 THR 36 5.243 10.863 4.665
264 HG23 THR 36 2HG2 THR 36 4.665 9.529 3.666
265 H GLY 37 H GLY 37 4.240 13.612 -0.059
266 HA2 GLY 37 1HA GLY 37 6.838 14.170 -0.998
267 HA3 GLY 37 2HA GLY 37 6.013 13.163 -2.178
268 H GLU 38 H GLU 38 6.611 15.333 -3.317
269 HA GLU 38 HA GLU 38 4.302 17.146 -3.062
270 HB2 GLU 38 1HB GLU 38 6.648 18.051 -2.535
271 HB3 GLU 38 2HB GLU 38 6.950 17.925 -4.262
272 HG2 GLU 38 1HG GLU 38 6.301 20.126 -3.997
273 HG3 GLU 38 2HG GLU 38 4.818 19.334 -4.526
274 H ARG 39 H ARG 39 3.055 17.472 -4.808
275 HA ARG 39 HA ARG 39 4.049 16.692 -7.448
276 HB2 ARG 39 1HB ARG 39 1.672 15.529 -6.033
277 HB3 ARG 39 2HB ARG 39 1.689 15.640 -7.788
278 HG2 ARG 39 1HG ARG 39 2.529 13.545 -7.525
279 HG3 ARG 39 2HG ARG 39 4.032 14.468 -7.495
280 HD2 ARG 39 1HD ARG 39 4.330 13.174 -5.636
281 HD3 ARG 39 2HD ARG 39 3.519 14.562 -4.911
282 HE ARG 39 HE ARG 39 1.667 12.563 -5.748
283 HH11 ARG 39 1HH1 ARG 39 3.909 13.423 -3.228
284 HH12 ARG 39 2HH1 ARG 39 3.088 12.510 -2.006
285 HH21 ARG 39 1HH2 ARG 39 0.577 11.356 -4.149
286 HH22 ARG 39 2HH2 ARG 39 1.193 11.333 -2.531
287 H HIS 40 H HIS 40 3.319 17.951 -9.084
288 HA HIS 40 HA HIS 40 1.421 20.082 -8.360
289 HB2 HIS 40 1HB HIS 40 3.755 20.767 -8.985
290 HB3 HIS 40 2HB HIS 40 3.455 20.121 -10.596
291 HD2 HIS 40 HD2 HIS 40 3.584 22.633 -11.800
292 HE1 HIS 40 HE1 HIS 40 0.189 24.236 -9.824
293 HE2 HIS 40 HE2 HIS 40 1.833 24.534 -11.708
294 H SER 41 H SER 41 -0.555 19.536 -9.037
295 HA SER 41 HA SER 41 -0.992 19.091 -11.860
296 HB2 SER 41 1HB SER 41 -2.212 17.002 -11.607
297 HB3 SER 41 2HB SER 41 -0.577 16.802 -10.978
298 HG SER 41 HG SER 41 -3.006 17.030 -9.570
299 H GLY 42 H GLY 42 -3.157 19.440 -12.505
300 HA2 GLY 42 1HA GLY 42 -5.055 20.255 -10.429
301 HA3 GLY 42 2HA GLY 42 -4.581 21.462 -11.615
302 HA PRO 43 HA PRO 43 -6.924 18.057 -14.118
303 HB2 PRO 43 1HB PRO 43 -8.081 16.059 -12.692
304 HB3 PRO 43 2HB PRO 43 -6.430 15.962 -13.315
305 HG2 PRO 43 1HG PRO 43 -7.377 16.652 -10.560
306 HG3 PRO 43 2HG PRO 43 -6.030 15.608 -11.052
307 HD2 PRO 43 1HD PRO 43 -5.668 18.159 -10.218
308 HD3 PRO 43 2HD PRO 43 -4.621 17.393 -11.430
309 H SER 44 H SER 44 -8.533 19.466 -14.586
310 HA SER 44 HA SER 44 -10.971 19.283 -12.984
311 HB2 SER 44 1HB SER 44 -9.536 21.339 -12.344
312 HB3 SER 44 2HB SER 44 -10.023 21.986 -13.910
313 HG SER 44 HG SER 44 -12.030 20.960 -12.277
314 H SER 45 H SER 45 -12.670 18.941 -14.248
315 HA SER 45 HA SER 45 -12.565 18.632 -16.985
316 HB2 SER 45 1HB SER 45 -14.985 19.365 -15.319
317 HB3 SER 45 2HB SER 45 -15.031 18.683 -16.945
318 HG SER 45 HG SER 45 -15.148 16.900 -15.777
319 H GLY 46 H GLY 46 -13.989 21.405 -15.242
320 HA2 GLY 46 1HA GLY 46 -14.130 23.625 -15.831
321 HA3 GLY 46 2HA GLY 46 -12.921 23.308 -17.066