Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504885 | 2enc RC | 10172 | 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 6.190 -17.248 -5.381
2 HA2 GLY 1 1HA GLY 1 5.152 -19.234 -6.964
3 HA3 GLY 1 2HA GLY 1 6.744 -19.823 -6.507
4 H SER 2 H SER 2 7.115 -19.286 -3.984
5 HA SER 2 HA SER 2 4.729 -19.861 -2.428
6 HB2 SER 2 1HB SER 2 5.897 -22.048 -3.317
7 HB3 SER 2 2HB SER 2 7.042 -21.720 -2.017
8 HG SER 2 HG SER 2 5.496 -22.046 -0.544
9 H SER 3 H SER 3 5.280 -19.984 -0.047
10 HA SER 3 HA SER 3 7.752 -18.731 0.765
11 HB2 SER 3 1HB SER 3 6.824 -16.729 1.678
12 HB3 SER 3 2HB SER 3 6.234 -16.840 0.020
13 HG SER 3 HG SER 3 4.429 -18.074 1.333
14 H GLY 4 H GLY 4 7.804 -18.410 3.176
15 HA2 GLY 4 1HA GLY 4 5.939 -20.188 4.591
16 HA3 GLY 4 2HA GLY 4 7.665 -20.491 4.715
17 H SER 5 H SER 5 8.776 -18.081 5.055
18 HA SER 5 HA SER 5 7.938 -17.406 7.731
19 HB2 SER 5 1HB SER 5 10.266 -16.696 5.984
20 HB3 SER 5 2HB SER 5 9.918 -15.702 7.399
21 HG SER 5 HG SER 5 11.386 -17.554 7.699
22 H SER 6 H SER 6 5.881 -16.751 6.120
23 HA SER 6 HA SER 6 5.642 -13.922 6.562
24 HB2 SER 6 1HB SER 6 5.798 -15.029 3.764
25 HB3 SER 6 2HB SER 6 4.925 -13.538 4.117
26 HG SER 6 HG SER 6 7.122 -13.181 3.513
27 H GLY 7 H GLY 7 3.470 -13.160 6.348
28 HA2 GLY 7 1HA GLY 7 1.518 -15.353 6.532
29 HA3 GLY 7 2HA GLY 7 1.319 -13.748 7.220
30 H SER 8 H SER 8 1.327 -11.946 5.507
31 HA SER 8 HA SER 8 -0.906 -12.110 3.943
32 HB2 SER 8 1HB SER 8 0.496 -10.045 4.516
33 HB3 SER 8 2HB SER 8 1.475 -10.455 3.108
34 HG SER 8 HG SER 8 -0.771 -10.527 2.062
35 H GLY 9 H GLY 9 -1.327 -13.643 2.482
36 HA2 GLY 9 1HA GLY 9 0.708 -14.858 0.872
37 HA3 GLY 9 2HA GLY 9 -1.022 -15.141 0.753
38 H GLU 10 H GLU 10 -2.308 -13.593 -0.449
39 HA GLU 10 HA GLU 10 -0.745 -12.031 -2.391
40 HB2 GLU 10 1HB GLU 10 -1.455 -14.130 -3.445
41 HB3 GLU 10 2HB GLU 10 -3.125 -13.789 -3.013
42 HG2 GLU 10 1HG GLU 10 -2.937 -13.207 -5.269
43 HG3 GLU 10 2HG GLU 10 -2.906 -11.678 -4.393
44 H LYS 11 H LYS 11 -1.834 -10.229 -3.318
45 HA LYS 11 HA LYS 11 -4.346 -9.433 -2.039
46 HB2 LYS 11 1HB LYS 11 -1.716 -8.048 -1.835
47 HB3 LYS 11 2HB LYS 11 -3.156 -7.051 -1.998
48 HG2 LYS 11 1HG LYS 11 -4.061 -7.832 0.018
49 HG3 LYS 11 2HG LYS 11 -2.945 -9.198 0.086
50 HD2 LYS 11 1HD LYS 11 -1.081 -7.679 0.461
51 HD3 LYS 11 2HD LYS 11 -2.164 -6.291 0.327
52 HE2 LYS 11 1HE LYS 11 -3.425 -7.152 2.281
53 HE3 LYS 11 2HE LYS 11 -2.237 -8.444 2.440
54 HZ1 LYS 11 3HZ LYS 11 -1.573 -5.554 2.559
55 HZ2 LYS 11 1HZ LYS 11 -0.536 -6.850 2.885
56 HZ3 LYS 11 2HZ LYS 11 -1.832 -6.524 3.920
57 HA PRO 12 HA PRO 12 -5.495 -7.920 -5.994
58 HB2 PRO 12 1HB PRO 12 -6.966 -5.727 -5.362
59 HB3 PRO 12 2HB PRO 12 -7.534 -7.378 -5.083
60 HG2 PRO 12 1HG PRO 12 -6.306 -5.447 -3.154
61 HG3 PRO 12 2HG PRO 12 -7.696 -6.524 -2.926
62 HD2 PRO 12 1HD PRO 12 -5.226 -7.113 -1.984
63 HD3 PRO 12 2HD PRO 12 -6.364 -8.363 -2.527
64 H PHE 13 H PHE 13 -3.569 -6.008 -3.907
65 HA PHE 13 HA PHE 13 -2.358 -4.663 -6.147
66 HB2 PHE 13 1HB PHE 13 -3.742 -3.038 -4.002
67 HB3 PHE 13 2HB PHE 13 -2.691 -2.383 -5.253
68 HD1 PHE 13 HD2 PHE 13 -5.903 -4.105 -4.655
69 HD2 PHE 13 HD1 PHE 13 -3.503 -1.926 -7.413
70 HE1 PHE 13 HE2 PHE 13 -7.839 -3.882 -6.156
71 HE2 PHE 13 HE1 PHE 13 -5.436 -1.698 -8.919
72 HZ PHE 13 HZ PHE 13 -7.607 -2.677 -8.292
73 H LYS 14 H LYS 14 -0.275 -4.967 -5.763
74 HA LYS 14 HA LYS 14 0.758 -4.422 -3.066
75 HB2 LYS 14 1HB LYS 14 2.449 -6.335 -3.666
76 HB3 LYS 14 2HB LYS 14 0.877 -6.723 -2.980
77 HG2 LYS 14 1HG LYS 14 0.012 -7.269 -5.166
78 HG3 LYS 14 2HG LYS 14 1.528 -6.770 -5.920
79 HD2 LYS 14 1HD LYS 14 2.536 -8.549 -4.245
80 HD3 LYS 14 2HD LYS 14 0.901 -9.209 -4.331
81 HE2 LYS 14 1HE LYS 14 1.245 -8.955 -6.906
82 HE3 LYS 14 2HE LYS 14 2.956 -8.931 -6.484
83 HZ1 LYS 14 3HZ LYS 14 1.243 -11.060 -5.405
84 HZ2 LYS 14 1HZ LYS 14 2.899 -11.085 -5.748
85 HZ3 LYS 14 2HZ LYS 14 1.774 -11.165 -7.008
86 H CYS 15 H CYS 15 3.062 -3.918 -3.019
87 HA CYS 15 HA CYS 15 3.777 -2.072 -5.040
88 HB2 CYS 15 1HB CYS 15 4.491 -1.936 -2.645
89 HB3 CYS 15 2HB CYS 15 5.580 -3.287 -2.939
90 H GLU 16 H GLU 16 5.456 -2.140 -6.561
91 HA GLU 16 HA GLU 16 5.998 -4.818 -7.579
92 HB2 GLU 16 1HB GLU 16 6.274 -3.875 -9.648
93 HB3 GLU 16 2HB GLU 16 5.209 -2.680 -8.923
94 HG2 GLU 16 1HG GLU 16 7.060 -1.229 -8.454
95 HG3 GLU 16 2HG GLU 16 8.207 -2.455 -8.992
96 H GLU 17 H GLU 17 7.559 -2.286 -5.877
97 HA GLU 17 HA GLU 17 10.242 -2.941 -6.640
98 HB2 GLU 17 1HB GLU 17 9.046 -1.239 -4.466
99 HB3 GLU 17 2HB GLU 17 10.776 -1.537 -4.549
100 HG2 GLU 17 1HG GLU 17 9.232 -0.423 -6.866
101 HG3 GLU 17 2HG GLU 17 9.918 0.600 -5.605
102 H CYS 18 H CYS 18 8.522 -3.270 -3.529
103 HA CYS 18 HA CYS 18 10.358 -5.448 -2.824
104 HB2 CYS 18 1HB CYS 18 9.456 -5.107 -0.504
105 HB3 CYS 18 2HB CYS 18 10.312 -3.718 -1.165
106 H GLY 19 H GLY 19 6.893 -4.625 -2.695
107 HA2 GLY 19 1HA GLY 19 5.442 -6.400 -3.728
108 HA3 GLY 19 2HA GLY 19 6.319 -7.524 -2.701
109 H LYS 20 H LYS 20 5.670 -4.449 -1.343
110 HA LYS 20 HA LYS 20 4.376 -5.330 0.900
111 HB2 LYS 20 1HB LYS 20 5.205 -2.936 0.149
112 HB3 LYS 20 2HB LYS 20 3.511 -2.720 -0.271
113 HG2 LYS 20 1HG LYS 20 2.810 -2.965 1.948
114 HG3 LYS 20 2HG LYS 20 4.348 -3.674 2.445
115 HD2 LYS 20 1HD LYS 20 5.468 -1.588 2.258
116 HD3 LYS 20 2HD LYS 20 4.095 -0.850 1.430
117 HE2 LYS 20 1HE LYS 20 3.968 -1.901 4.250
118 HE3 LYS 20 2HE LYS 20 4.365 -0.229 3.855
119 HZ1 LYS 20 3HZ LYS 20 1.886 -1.499 2.867
120 HZ2 LYS 20 1HZ LYS 20 2.245 0.149 3.004
121 HZ3 LYS 20 2HZ LYS 20 1.955 -0.773 4.393
122 H GLY 21 H GLY 21 2.082 -4.908 1.577
123 HA2 GLY 21 1HA GLY 21 0.275 -5.829 -0.565
124 HA3 GLY 21 2HA GLY 21 0.067 -6.183 1.144
125 H PHE 22 H PHE 22 -1.657 -4.842 -0.947
126 HA PHE 22 HA PHE 22 -2.520 -2.657 0.771
127 HB2 PHE 22 1HB PHE 22 -2.072 -2.198 -2.182
128 HB3 PHE 22 2HB PHE 22 -2.593 -1.013 -0.989
129 HD1 PHE 22 HD1 PHE 22 -0.975 -0.377 0.852
130 HD2 PHE 22 HD2 PHE 22 0.192 -2.544 -2.621
131 HE1 PHE 22 HE1 PHE 22 1.369 0.255 1.250
132 HE2 PHE 22 HE2 PHE 22 2.539 -1.917 -2.228
133 HZ PHE 22 HZ PHE 22 3.130 -0.516 -0.290
134 H TYR 23 H TYR 23 -4.643 -1.729 -0.055
135 HA TYR 23 HA TYR 23 -6.254 -3.904 -1.220
136 HB2 TYR 23 1HB TYR 23 -7.048 -1.837 0.840
137 HB3 TYR 23 2HB TYR 23 -8.154 -2.990 0.102
138 HD1 TYR 23 HD1 TYR 23 -6.520 -5.447 0.100
139 HD2 TYR 23 HD2 TYR 23 -6.975 -2.452 3.087
140 HE1 TYR 23 HE1 TYR 23 -5.959 -7.099 1.834
141 HE2 TYR 23 HE2 TYR 23 -6.413 -4.095 4.829
142 HH TYR 23 HH TYR 23 -6.445 -7.361 4.353
143 H THR 24 H THR 24 -5.536 -0.494 -1.213
144 HA THR 24 HA THR 24 -7.308 -0.157 -3.546
145 HB THR 24 HB THR 24 -7.541 2.220 -2.938
146 HG1 THR 24 HG1 THR 24 -6.362 1.571 -0.439
147 HG21 THR 24 3HG2 THR 24 -8.909 1.864 -0.843
148 HG22 THR 24 1HG2 THR 24 -8.347 0.193 -0.858
149 HG23 THR 24 2HG2 THR 24 -9.310 0.812 -2.200
150 H ASN 25 H ASN 25 -6.434 0.666 -5.365
151 HA ASN 25 HA ASN 25 -3.780 0.566 -5.948
152 HB2 ASN 25 1HB ASN 25 -5.462 0.830 -7.680
153 HB3 ASN 25 2HB ASN 25 -5.831 2.458 -7.118
154 HD21 ASN 25 1HD2 ASN 25 -4.336 0.830 -9.469
155 HD22 ASN 25 2HD2 ASN 25 -3.109 1.964 -9.907
156 H SER 26 H SER 26 -5.517 3.589 -5.186
157 HA SER 26 HA SER 26 -3.511 5.399 -5.201
158 HB2 SER 26 1HB SER 26 -5.818 5.989 -4.633
159 HB3 SER 26 2HB SER 26 -5.657 5.177 -3.076
160 HG SER 26 HG SER 26 -3.724 6.761 -2.953
161 H GLN 27 H GLN 27 -4.275 3.262 -2.463
162 HA GLN 27 HA GLN 27 -2.271 4.151 -0.733
163 HB2 GLN 27 1HB GLN 27 -3.902 1.678 -0.985
164 HB3 GLN 27 2HB GLN 27 -2.475 1.600 0.039
165 HG2 GLN 27 1HG GLN 27 -3.334 3.586 1.270
166 HG3 GLN 27 2HG GLN 27 -4.816 3.464 0.324
167 HE21 GLN 27 1HE2 GLN 27 -6.390 2.525 1.387
168 HE22 GLN 27 2HE2 GLN 27 -6.232 1.244 2.534
169 H CYS 28 H CYS 28 -2.226 1.278 -2.849
170 HA CYS 28 HA CYS 28 0.270 0.326 -2.436
171 HB2 CYS 28 1HB CYS 28 -1.190 -0.754 -4.009
172 HB3 CYS 28 2HB CYS 28 -1.168 0.647 -5.073
173 HG CYS 28 HG CYS 28 1.846 0.141 -5.145
174 H TYR 29 H TYR 29 -0.517 2.962 -4.695
175 HA TYR 29 HA TYR 29 2.098 3.485 -5.539
176 HB2 TYR 29 1HB TYR 29 -0.181 4.377 -6.430
177 HB3 TYR 29 2HB TYR 29 0.060 5.673 -5.263
178 HD1 TYR 29 HD2 TYR 29 2.864 6.284 -5.403
179 HD2 TYR 29 HD1 TYR 29 0.214 5.202 -8.551
180 HE1 TYR 29 HE2 TYR 29 4.299 7.469 -7.011
181 HE2 TYR 29 HE1 TYR 29 1.642 6.383 -10.167
182 HH TYR 29 HH TYR 29 4.213 7.031 -10.222
183 H SER 30 H SER 30 0.180 5.130 -3.025
184 HA SER 30 HA SER 30 1.805 7.042 -2.106
185 HB2 SER 30 1HB SER 30 -0.370 6.274 -1.064
186 HB3 SER 30 2HB SER 30 0.563 5.055 -0.196
187 HG SER 30 HG SER 30 0.123 7.411 0.654
188 H HIS 31 H HIS 31 2.118 3.648 -1.058
189 HA HIS 31 HA HIS 31 4.513 4.056 0.388
190 HB2 HIS 31 1HB HIS 31 3.493 2.112 1.059
191 HB3 HIS 31 2HB HIS 31 2.975 1.694 -0.571
192 HD1 HIS 31 HD1 HIS 31 5.600 1.044 1.907
193 HD2 HIS 31 HD2 HIS 31 5.061 0.501 -2.177
194 HE1 HIS 31 HE1 HIS 31 7.379 -0.589 1.205
195 H GLN 32 H GLN 32 3.890 2.786 -2.871
196 HA GLN 32 HA GLN 32 6.354 2.025 -3.698
197 HB2 GLN 32 1HB GLN 32 4.078 3.351 -5.080
198 HB3 GLN 32 2HB GLN 32 5.605 3.258 -5.946
199 HG2 GLN 32 1HG GLN 32 5.535 0.753 -5.317
200 HG3 GLN 32 2HG GLN 32 3.823 1.048 -5.020
201 HE21 GLN 32 1HE2 GLN 32 6.361 1.229 -7.444
202 HE22 GLN 32 2HE2 GLN 32 5.319 1.090 -8.815
203 H ARG 33 H ARG 33 5.230 5.327 -3.262
204 HA ARG 33 HA ARG 33 7.174 6.780 -4.541
205 HB2 ARG 33 1HB ARG 33 6.024 7.412 -1.817
206 HB3 ARG 33 2HB ARG 33 6.750 8.560 -2.933
207 HG2 ARG 33 1HG ARG 33 4.439 6.959 -3.886
208 HG3 ARG 33 2HG ARG 33 4.139 8.267 -2.740
209 HD2 ARG 33 1HD ARG 33 5.466 9.758 -4.287
210 HD3 ARG 33 2HD ARG 33 5.411 8.444 -5.462
211 HE ARG 33 HE ARG 33 2.814 8.784 -4.838
212 HH11 ARG 33 1HH1 ARG 33 5.321 11.003 -5.792
213 HH12 ARG 33 2HH1 ARG 33 4.233 12.100 -6.575
214 HH21 ARG 33 1HH2 ARG 33 1.371 10.221 -5.867
215 HH22 ARG 33 2HH2 ARG 33 1.986 11.655 -6.617
216 H SER 34 H SER 34 7.320 5.540 -1.205
217 HA SER 34 HA SER 34 9.680 6.460 -0.301
218 HB2 SER 34 1HB SER 34 9.886 4.504 1.063
219 HB3 SER 34 2HB SER 34 8.160 4.788 0.839
220 HG SER 34 HG SER 34 8.026 3.074 -0.472
221 H HIS 35 H HIS 35 9.262 4.017 -2.786
222 HA HIS 35 HA HIS 35 12.070 3.402 -2.951
223 HB2 HIS 35 1HB HIS 35 9.776 2.710 -4.797
224 HB3 HIS 35 2HB HIS 35 11.412 2.074 -4.941
225 HD1 HIS 35 HD1 HIS 35 12.230 0.691 -2.711
226 HD2 HIS 35 HD2 HIS 35 8.142 1.184 -3.268
227 HE1 HIS 35 HE1 HIS 35 11.139 -1.055 -1.267
228 H SER 36 H SER 36 11.879 6.093 -3.134
229 HA SER 36 HA SER 36 13.075 6.607 -5.686
230 HB2 SER 36 1HB SER 36 11.513 8.089 -6.625
231 HB3 SER 36 2HB SER 36 10.516 6.760 -6.034
232 HG SER 36 HG SER 36 9.632 8.054 -4.623
233 H GLY 37 H GLY 37 14.675 7.997 -5.339
234 HA2 GLY 37 1HA GLY 37 14.311 10.107 -3.322
235 HA3 GLY 37 2HA GLY 37 15.712 9.051 -3.216
236 H GLU 38 H GLU 38 16.618 8.827 -5.721
237 HA GLU 38 HA GLU 38 17.722 11.438 -6.203
238 HB2 GLU 38 1HB GLU 38 18.884 10.173 -8.120
239 HB3 GLU 38 2HB GLU 38 19.283 9.719 -6.470
240 HG2 GLU 38 1HG GLU 38 17.946 7.765 -6.591
241 HG3 GLU 38 2HG GLU 38 17.229 8.275 -8.118
242 H LYS 39 H LYS 39 15.551 12.362 -6.710
243 HA LYS 39 HA LYS 39 15.242 12.520 -9.575
244 HB2 LYS 39 1HB LYS 39 13.163 11.264 -7.815
245 HB3 LYS 39 2HB LYS 39 12.678 12.154 -9.253
246 HG2 LYS 39 1HG LYS 39 14.317 10.648 -10.513
247 HG3 LYS 39 2HG LYS 39 14.300 9.642 -9.062
248 HD2 LYS 39 1HD LYS 39 12.013 9.163 -9.290
249 HD3 LYS 39 2HD LYS 39 11.761 10.491 -10.425
250 HE2 LYS 39 1HE LYS 39 11.777 8.699 -11.858
251 HE3 LYS 39 2HE LYS 39 13.479 9.156 -11.886
252 HZ1 LYS 39 3HZ LYS 39 13.880 7.451 -10.175
253 HZ2 LYS 39 1HZ LYS 39 13.290 6.795 -11.619
254 HZ3 LYS 39 2HZ LYS 39 12.262 6.970 -10.287
255 HA PRO 40 HA PRO 40 14.320 16.677 -8.445
256 HB2 PRO 40 1HB PRO 40 13.207 17.506 -10.779
257 HB3 PRO 40 2HB PRO 40 14.943 17.235 -10.585
258 HG2 PRO 40 1HG PRO 40 12.870 15.446 -11.796
259 HG3 PRO 40 2HG PRO 40 14.507 15.811 -12.371
260 HD2 PRO 40 1HD PRO 40 13.905 13.531 -11.040
261 HD3 PRO 40 2HD PRO 40 15.488 14.324 -10.909
262 H SER 41 H SER 41 12.598 18.002 -7.849
263 HA SER 41 HA SER 41 9.936 16.745 -8.002
264 HB2 SER 41 1HB SER 41 9.422 17.764 -5.842
265 HB3 SER 41 2HB SER 41 10.879 16.779 -5.711
266 HG SER 41 HG SER 41 10.831 19.051 -4.803
267 H GLY 42 H GLY 42 8.691 17.794 -9.402
268 HA2 GLY 42 1HA GLY 42 9.053 20.697 -9.723
269 HA3 GLY 42 2HA GLY 42 8.299 19.629 -10.897
270 HA PRO 43 HA PRO 43 4.377 20.919 -9.408
271 HB2 PRO 43 1HB PRO 43 2.875 18.783 -10.152
272 HB3 PRO 43 2HB PRO 43 3.501 19.966 -11.307
273 HG2 PRO 43 1HG PRO 43 4.569 17.260 -10.601
274 HG3 PRO 43 2HG PRO 43 4.402 18.016 -12.196
275 HD2 PRO 43 1HD PRO 43 6.760 17.921 -10.869
276 HD3 PRO 43 2HD PRO 43 6.324 19.263 -11.946
277 H SER 44 H SER 44 6.066 18.289 -8.125
278 HA SER 44 HA SER 44 4.591 18.419 -5.661
279 HB2 SER 44 1HB SER 44 3.836 16.160 -5.551
280 HB3 SER 44 2HB SER 44 3.294 16.783 -7.110
281 HG SER 44 HG SER 44 4.818 15.602 -8.128
282 H SER 45 H SER 45 5.782 17.725 -3.920
283 HA SER 45 HA SER 45 8.360 16.429 -4.463
284 HB2 SER 45 1HB SER 45 9.496 17.980 -2.929
285 HB3 SER 45 2HB SER 45 8.781 18.847 -4.288
286 HG SER 45 HG SER 45 8.450 19.609 -1.968
287 H GLY 46 H GLY 46 8.976 14.936 -2.983
288 HA2 GLY 46 1HA GLY 46 7.081 13.861 -1.214
289 HA3 GLY 46 2HA GLY 46 8.793 13.466 -1.231
Start of MODEL 2
1 H1 GLY 1 H GLY 1 14.250 -24.124 -2.888
2 HA2 GLY 1 1HA GLY 1 16.953 -24.158 -2.109
3 HA3 GLY 1 2HA GLY 1 16.778 -23.052 -3.464
4 H SER 2 H SER 2 15.627 -21.133 -3.203
5 HA SER 2 HA SER 2 15.807 -19.910 -0.696
6 HB2 SER 2 1HB SER 2 15.685 -18.788 -2.984
7 HB3 SER 2 2HB SER 2 13.938 -19.008 -2.890
8 HG SER 2 HG SER 2 14.056 -17.148 -1.893
9 H SER 3 H SER 3 14.755 -20.913 0.955
10 HA SER 3 HA SER 3 11.899 -21.484 0.670
11 HB2 SER 3 1HB SER 3 13.603 -23.143 1.669
12 HB3 SER 3 2HB SER 3 13.571 -22.109 3.097
13 HG SER 3 HG SER 3 11.206 -23.129 1.935
14 H GLY 4 H GLY 4 12.538 -18.780 0.698
15 HA2 GLY 4 1HA GLY 4 12.288 -17.700 3.348
16 HA3 GLY 4 2HA GLY 4 12.202 -16.799 1.842
17 H SER 5 H SER 5 10.278 -19.324 3.473
18 HA SER 5 HA SER 5 7.839 -18.039 2.533
19 HB2 SER 5 1HB SER 5 6.697 -20.036 3.370
20 HB3 SER 5 2HB SER 5 8.061 -20.494 2.349
21 HG SER 5 HG SER 5 7.634 -20.948 5.019
22 H SER 6 H SER 6 7.963 -16.142 3.828
23 HA SER 6 HA SER 6 7.915 -16.389 6.708
24 HB2 SER 6 1HB SER 6 7.670 -14.018 4.850
25 HB3 SER 6 2HB SER 6 7.581 -13.883 6.606
26 HG SER 6 HG SER 6 9.722 -13.631 5.438
27 H GLY 7 H GLY 7 5.647 -15.479 4.136
28 HA2 GLY 7 1HA GLY 7 3.410 -16.502 5.560
29 HA3 GLY 7 2HA GLY 7 3.463 -14.749 5.681
30 H SER 8 H SER 8 1.789 -16.918 4.190
31 HA SER 8 HA SER 8 2.023 -15.877 1.468
32 HB2 SER 8 1HB SER 8 0.381 -17.675 0.910
33 HB3 SER 8 2HB SER 8 1.865 -18.288 1.641
34 HG SER 8 HG SER 8 0.234 -19.287 2.710
35 H GLY 9 H GLY 9 0.009 -15.316 0.301
36 HA2 GLY 9 1HA GLY 9 -2.463 -14.819 0.947
37 HA3 GLY 9 2HA GLY 9 -1.696 -13.682 2.047
38 H GLU 10 H GLU 10 -2.066 -14.528 -1.366
39 HA GLU 10 HA GLU 10 -0.823 -12.260 -2.449
40 HB2 GLU 10 1HB GLU 10 -1.563 -14.394 -3.646
41 HB3 GLU 10 2HB GLU 10 -3.166 -13.675 -3.708
42 HG2 GLU 10 1HG GLU 10 -2.330 -13.074 -5.748
43 HG3 GLU 10 2HG GLU 10 -1.916 -11.659 -4.782
44 H LYS 11 H LYS 11 -1.616 -10.290 -3.170
45 HA LYS 11 HA LYS 11 -4.274 -9.535 -2.143
46 HB2 LYS 11 1HB LYS 11 -1.636 -8.154 -1.935
47 HB3 LYS 11 2HB LYS 11 -3.084 -7.168 -2.086
48 HG2 LYS 11 1HG LYS 11 -3.969 -7.955 -0.066
49 HG3 LYS 11 2HG LYS 11 -2.851 -9.319 -0.011
50 HD2 LYS 11 1HD LYS 11 -0.982 -7.754 0.305
51 HD3 LYS 11 2HD LYS 11 -2.120 -6.405 0.286
52 HE2 LYS 11 1HE LYS 11 -1.950 -6.716 2.538
53 HE3 LYS 11 2HE LYS 11 -3.275 -7.829 2.195
54 HZ1 LYS 11 3HZ LYS 11 -2.045 -9.557 2.811
55 HZ2 LYS 11 1HZ LYS 11 -0.938 -8.451 3.455
56 HZ3 LYS 11 2HZ LYS 11 -0.713 -9.062 1.894
57 HA PRO 12 HA PRO 12 -5.333 -8.072 -6.142
58 HB2 PRO 12 1HB PRO 12 -6.822 -5.877 -5.563
59 HB3 PRO 12 2HB PRO 12 -7.393 -7.526 -5.284
60 HG2 PRO 12 1HG PRO 12 -6.213 -5.575 -3.343
61 HG3 PRO 12 2HG PRO 12 -7.606 -6.654 -3.139
62 HD2 PRO 12 1HD PRO 12 -5.158 -7.229 -2.135
63 HD3 PRO 12 2HD PRO 12 -6.281 -8.486 -2.692
64 H PHE 13 H PHE 13 -3.620 -5.984 -3.969
65 HA PHE 13 HA PHE 13 -2.335 -4.678 -6.225
66 HB2 PHE 13 1HB PHE 13 -3.749 -3.118 -4.053
67 HB3 PHE 13 2HB PHE 13 -2.660 -2.417 -5.246
68 HD1 PHE 13 HD2 PHE 13 -5.849 -4.270 -4.879
69 HD2 PHE 13 HD1 PHE 13 -3.445 -1.766 -7.343
70 HE1 PHE 13 HE2 PHE 13 -7.738 -3.988 -6.430
71 HE2 PHE 13 HE1 PHE 13 -5.331 -1.479 -8.897
72 HZ PHE 13 HZ PHE 13 -7.481 -2.592 -8.442
73 H LYS 14 H LYS 14 -0.257 -5.040 -5.850
74 HA LYS 14 HA LYS 14 0.792 -4.527 -3.151
75 HB2 LYS 14 1HB LYS 14 2.421 -6.417 -3.570
76 HB3 LYS 14 2HB LYS 14 0.754 -6.897 -3.281
77 HG2 LYS 14 1HG LYS 14 0.425 -7.149 -5.704
78 HG3 LYS 14 2HG LYS 14 2.119 -6.724 -5.960
79 HD2 LYS 14 1HD LYS 14 1.467 -8.948 -4.087
80 HD3 LYS 14 2HD LYS 14 1.348 -9.240 -5.824
81 HE2 LYS 14 1HE LYS 14 3.714 -8.164 -5.895
82 HE3 LYS 14 2HE LYS 14 3.747 -8.548 -4.175
83 HZ1 LYS 14 3HZ LYS 14 4.555 -10.238 -6.033
84 HZ2 LYS 14 1HZ LYS 14 2.924 -10.684 -5.976
85 HZ3 LYS 14 2HZ LYS 14 3.869 -10.753 -4.575
86 H CYS 15 H CYS 15 3.145 -4.109 -3.130
87 HA CYS 15 HA CYS 15 3.830 -2.216 -5.154
88 HB2 CYS 15 1HB CYS 15 4.489 -1.962 -2.776
89 HB3 CYS 15 2HB CYS 15 5.557 -3.352 -2.944
90 H GLU 16 H GLU 16 5.675 -2.267 -6.536
91 HA GLU 16 HA GLU 16 6.210 -4.945 -7.562
92 HB2 GLU 16 1HB GLU 16 6.641 -3.981 -9.594
93 HB3 GLU 16 2HB GLU 16 5.563 -2.767 -8.921
94 HG2 GLU 16 1HG GLU 16 7.691 -1.612 -8.092
95 HG3 GLU 16 2HG GLU 16 8.540 -2.672 -9.215
96 H GLU 17 H GLU 17 7.782 -2.342 -5.895
97 HA GLU 17 HA GLU 17 10.464 -3.118 -6.439
98 HB2 GLU 17 1HB GLU 17 9.189 -1.368 -4.350
99 HB3 GLU 17 2HB GLU 17 10.913 -1.714 -4.326
100 HG2 GLU 17 1HG GLU 17 9.557 -0.591 -6.751
101 HG3 GLU 17 2HG GLU 17 10.155 0.437 -5.450
102 H CYS 18 H CYS 18 8.599 -3.349 -3.403
103 HA CYS 18 HA CYS 18 10.313 -5.594 -2.605
104 HB2 CYS 18 1HB CYS 18 9.259 -5.186 -0.330
105 HB3 CYS 18 2HB CYS 18 10.301 -3.903 -0.938
106 H GLY 19 H GLY 19 6.877 -4.635 -2.537
107 HA2 GLY 19 1HA GLY 19 5.354 -6.309 -3.611
108 HA3 GLY 19 2HA GLY 19 6.197 -7.509 -2.642
109 H LYS 20 H LYS 20 5.496 -4.381 -1.312
110 HA LYS 20 HA LYS 20 4.281 -5.291 0.984
111 HB2 LYS 20 1HB LYS 20 5.051 -2.878 0.177
112 HB3 LYS 20 2HB LYS 20 3.333 -2.703 -0.153
113 HG2 LYS 20 1HG LYS 20 3.376 -1.926 1.976
114 HG3 LYS 20 2HG LYS 20 3.138 -3.642 2.314
115 HD2 LYS 20 1HD LYS 20 5.913 -2.565 2.084
116 HD3 LYS 20 2HD LYS 20 4.996 -2.286 3.567
117 HE2 LYS 20 1HE LYS 20 4.532 -4.856 3.402
118 HE3 LYS 20 2HE LYS 20 5.972 -4.849 2.386
119 HZ1 LYS 20 3HZ LYS 20 5.716 -4.281 5.249
120 HZ2 LYS 20 1HZ LYS 20 6.929 -3.483 4.381
121 HZ3 LYS 20 2HZ LYS 20 6.896 -5.173 4.429
122 H GLY 21 H GLY 21 2.024 -5.048 1.709
123 HA2 GLY 21 1HA GLY 21 0.187 -5.924 -0.422
124 HA3 GLY 21 2HA GLY 21 0.025 -6.328 1.280
125 H PHE 22 H PHE 22 -1.686 -4.890 -0.835
126 HA PHE 22 HA PHE 22 -2.668 -2.861 1.003
127 HB2 PHE 22 1HB PHE 22 -2.034 -2.172 -1.873
128 HB3 PHE 22 2HB PHE 22 -2.711 -1.093 -0.658
129 HD1 PHE 22 HD1 PHE 22 -1.234 -0.858 1.524
130 HD2 PHE 22 HD2 PHE 22 0.216 -2.055 -2.294
131 HE1 PHE 22 HE1 PHE 22 1.036 -0.161 2.171
132 HE2 PHE 22 HE2 PHE 22 2.488 -1.361 -1.653
133 HZ PHE 22 HZ PHE 22 2.900 -0.413 0.582
134 H TYR 23 H TYR 23 -4.691 -1.769 -0.141
135 HA TYR 23 HA TYR 23 -6.225 -3.906 -1.467
136 HB2 TYR 23 1HB TYR 23 -7.275 -1.986 0.622
137 HB3 TYR 23 2HB TYR 23 -8.197 -3.248 -0.187
138 HD1 TYR 23 HD1 TYR 23 -6.561 -5.591 -0.069
139 HD2 TYR 23 HD2 TYR 23 -7.018 -2.528 2.850
140 HE1 TYR 23 HE1 TYR 23 -5.932 -7.186 1.695
141 HE2 TYR 23 HE2 TYR 23 -6.389 -4.114 4.621
142 HH TYR 23 HH TYR 23 -6.538 -7.156 4.503
143 H THR 24 H THR 24 -5.629 -0.480 -1.073
144 HA THR 24 HA THR 24 -7.284 0.048 -3.455
145 HB THR 24 HB THR 24 -7.341 2.427 -2.666
146 HG1 THR 24 HG1 THR 24 -6.648 1.560 -0.094
147 HG21 THR 24 3HG2 THR 24 -8.627 0.137 -1.311
148 HG22 THR 24 1HG2 THR 24 -9.350 1.508 -2.150
149 HG23 THR 24 2HG2 THR 24 -8.758 1.696 -0.499
150 H ASN 25 H ASN 25 -6.406 1.124 -5.169
151 HA ASN 25 HA ASN 25 -3.722 0.929 -5.735
152 HB2 ASN 25 1HB ASN 25 -4.120 2.498 -7.573
153 HB3 ASN 25 2HB ASN 25 -5.450 1.352 -7.436
154 HD21 ASN 25 1HD2 ASN 25 -7.463 2.068 -6.888
155 HD22 ASN 25 2HD2 ASN 25 -7.875 3.742 -6.766
156 H SER 26 H SER 26 -5.445 3.861 -4.667
157 HA SER 26 HA SER 26 -3.447 5.690 -4.595
158 HB2 SER 26 1HB SER 26 -5.474 5.287 -2.382
159 HB3 SER 26 2HB SER 26 -4.606 6.780 -2.737
160 HG SER 26 HG SER 26 -6.781 6.626 -3.623
161 H GLN 27 H GLN 27 -4.079 3.239 -2.107
162 HA GLN 27 HA GLN 27 -2.002 4.013 -0.366
163 HB2 GLN 27 1HB GLN 27 -3.601 1.504 -0.732
164 HB3 GLN 27 2HB GLN 27 -2.232 1.519 0.372
165 HG2 GLN 27 1HG GLN 27 -3.244 3.323 1.640
166 HG3 GLN 27 2HG GLN 27 -4.599 3.372 0.513
167 HE21 GLN 27 1HE2 GLN 27 -3.259 1.888 3.269
168 HE22 GLN 27 2HE2 GLN 27 -4.510 0.729 3.543
169 H CYS 28 H CYS 28 -2.145 1.391 -2.775
170 HA CYS 28 HA CYS 28 0.415 0.399 -2.481
171 HB2 CYS 28 1HB CYS 28 -1.145 -0.763 -3.875
172 HB3 CYS 28 2HB CYS 28 -1.317 0.625 -4.943
173 HG CYS 28 HG CYS 28 1.255 -1.592 -4.749
174 H TYR 29 H TYR 29 -0.683 3.097 -4.499
175 HA TYR 29 HA TYR 29 1.825 3.630 -5.687
176 HB2 TYR 29 1HB TYR 29 -0.553 4.454 -6.350
177 HB3 TYR 29 2HB TYR 29 -0.235 5.764 -5.218
178 HD1 TYR 29 HD2 TYR 29 2.505 6.480 -5.633
179 HD2 TYR 29 HD1 TYR 29 -0.377 5.246 -8.510
180 HE1 TYR 29 HE2 TYR 29 3.738 7.694 -7.381
181 HE2 TYR 29 HE1 TYR 29 0.848 6.456 -10.266
182 HH TYR 29 HH TYR 29 2.665 7.635 -10.765
183 H SER 30 H SER 30 0.124 5.280 -3.023
184 HA SER 30 HA SER 30 1.877 7.204 -2.313
185 HB2 SER 30 1HB SER 30 0.378 5.333 -0.467
186 HB3 SER 30 2HB SER 30 1.188 6.803 0.075
187 HG SER 30 HG SER 30 -1.026 7.164 -0.359
188 H HIS 31 H HIS 31 2.141 3.789 -1.371
189 HA HIS 31 HA HIS 31 4.559 4.108 0.081
190 HB2 HIS 31 1HB HIS 31 3.421 2.178 0.675
191 HB3 HIS 31 2HB HIS 31 3.022 1.774 -0.992
192 HD1 HIS 31 HD1 HIS 31 5.665 1.352 1.593
193 HD2 HIS 31 HD2 HIS 31 5.031 0.378 -2.396
194 HE1 HIS 31 HE1 HIS 31 7.453 -0.320 1.017
195 H GLN 32 H GLN 32 3.899 2.771 -3.157
196 HA GLN 32 HA GLN 32 6.331 2.064 -4.047
197 HB2 GLN 32 1HB GLN 32 4.016 2.402 -5.293
198 HB3 GLN 32 2HB GLN 32 4.798 3.872 -5.858
199 HG2 GLN 32 1HG GLN 32 6.584 2.605 -6.845
200 HG3 GLN 32 2HG GLN 32 5.948 1.109 -6.163
201 HE21 GLN 32 1HE2 GLN 32 5.923 0.296 -8.322
202 HE22 GLN 32 2HE2 GLN 32 4.629 0.702 -9.392
203 H ARG 33 H ARG 33 5.147 5.422 -4.053
204 HA ARG 33 HA ARG 33 7.273 6.726 -5.163
205 HB2 ARG 33 1HB ARG 33 5.398 7.492 -2.951
206 HB3 ARG 33 2HB ARG 33 6.694 8.581 -3.426
207 HG2 ARG 33 1HG ARG 33 5.776 8.331 -5.803
208 HG3 ARG 33 2HG ARG 33 4.341 7.657 -5.029
209 HD2 ARG 33 1HD ARG 33 5.419 10.229 -3.999
210 HD3 ARG 33 2HD ARG 33 4.569 10.243 -5.544
211 HE ARG 33 HE ARG 33 3.428 9.782 -2.926
212 HH11 ARG 33 1HH1 ARG 33 3.019 9.510 -6.373
213 HH12 ARG 33 2HH1 ARG 33 1.290 9.434 -6.293
214 HH21 ARG 33 1HH2 ARG 33 1.152 9.683 -2.808
215 HH22 ARG 33 2HH2 ARG 33 0.229 9.534 -4.265
216 H SER 34 H SER 34 6.953 5.712 -1.777
217 HA SER 34 HA SER 34 9.137 6.807 -0.606
218 HB2 SER 34 1HB SER 34 7.479 5.202 0.439
219 HB3 SER 34 2HB SER 34 8.437 3.888 -0.245
220 HG SER 34 HG SER 34 10.150 4.485 1.023
221 H HIS 35 H HIS 35 9.148 3.830 -2.551
222 HA HIS 35 HA HIS 35 11.848 3.209 -2.338
223 HB2 HIS 35 1HB HIS 35 9.803 2.696 -4.481
224 HB3 HIS 35 2HB HIS 35 11.472 2.170 -4.682
225 HD1 HIS 35 HD1 HIS 35 12.356 0.515 -2.712
226 HD2 HIS 35 HD2 HIS 35 8.243 0.960 -3.090
227 HE1 HIS 35 HE1 HIS 35 11.353 -1.439 -1.486
228 H SER 36 H SER 36 13.233 4.929 -2.484
229 HA SER 36 HA SER 36 13.528 6.095 -5.165
230 HB2 SER 36 1HB SER 36 14.039 8.288 -4.171
231 HB3 SER 36 2HB SER 36 12.407 7.766 -3.754
232 HG SER 36 HG SER 36 12.960 7.659 -1.721
233 H GLY 37 H GLY 37 15.728 7.427 -5.137
234 HA2 GLY 37 1HA GLY 37 17.933 7.228 -3.802
235 HA3 GLY 37 2HA GLY 37 17.743 5.518 -4.161
236 H GLU 38 H GLU 38 19.470 8.063 -5.042
237 HA GLU 38 HA GLU 38 19.728 7.109 -7.809
238 HB2 GLU 38 1HB GLU 38 18.496 9.202 -7.909
239 HB3 GLU 38 2HB GLU 38 19.708 9.995 -6.912
240 HG2 GLU 38 1HG GLU 38 21.371 9.483 -8.734
241 HG3 GLU 38 2HG GLU 38 19.999 9.005 -9.731
242 H LYS 39 H LYS 39 21.733 6.514 -8.282
243 HA LYS 39 HA LYS 39 23.884 7.170 -6.432
244 HB2 LYS 39 1HB LYS 39 23.709 5.247 -8.754
245 HB3 LYS 39 2HB LYS 39 25.176 5.508 -7.819
246 HG2 LYS 39 1HG LYS 39 24.340 3.670 -6.765
247 HG3 LYS 39 2HG LYS 39 23.599 4.945 -5.795
248 HD2 LYS 39 1HD LYS 39 21.550 4.762 -7.119
249 HD3 LYS 39 2HD LYS 39 22.293 3.496 -8.100
250 HE2 LYS 39 1HE LYS 39 22.251 1.955 -6.366
251 HE3 LYS 39 2HE LYS 39 22.132 3.203 -5.126
252 HZ1 LYS 39 3HZ LYS 39 20.028 2.057 -6.816
253 HZ2 LYS 39 1HZ LYS 39 19.868 3.663 -6.310
254 HZ3 LYS 39 2HZ LYS 39 20.002 2.426 -5.166
255 HA PRO 40 HA PRO 40 25.643 10.306 -8.973
256 HB2 PRO 40 1HB PRO 40 28.198 10.209 -8.060
257 HB3 PRO 40 2HB PRO 40 26.870 10.904 -7.124
258 HG2 PRO 40 1HG PRO 40 28.119 8.192 -6.914
259 HG3 PRO 40 2HG PRO 40 27.631 9.302 -5.620
260 HD2 PRO 40 1HD PRO 40 26.123 7.180 -6.366
261 HD3 PRO 40 2HD PRO 40 25.413 8.691 -5.762
262 H SER 41 H SER 41 25.416 9.184 -10.990
263 HA SER 41 HA SER 41 26.118 8.072 -12.862
264 HB2 SER 41 1HB SER 41 28.257 8.814 -13.714
265 HB3 SER 41 2HB SER 41 27.490 10.165 -12.880
266 HG SER 41 HG SER 41 28.851 9.856 -11.152
267 H GLY 42 H GLY 42 26.033 6.375 -10.663
268 HA2 GLY 42 1HA GLY 42 28.255 4.551 -11.314
269 HA3 GLY 42 2HA GLY 42 27.799 4.833 -9.640
270 HA PRO 43 HA PRO 43 24.256 2.340 -11.862
271 HB2 PRO 43 1HB PRO 43 25.088 0.924 -14.024
272 HB3 PRO 43 2HB PRO 43 24.425 2.558 -14.143
273 HG2 PRO 43 1HG PRO 43 27.283 1.668 -14.147
274 HG3 PRO 43 2HG PRO 43 26.488 2.881 -15.167
275 HD2 PRO 43 1HD PRO 43 27.998 3.546 -13.019
276 HD3 PRO 43 2HD PRO 43 26.596 4.506 -13.536
277 H SER 44 H SER 44 23.880 -0.050 -11.992
278 HA SER 44 HA SER 44 26.043 -1.513 -10.625
279 HB2 SER 44 1HB SER 44 24.006 -0.971 -9.222
280 HB3 SER 44 2HB SER 44 23.085 -2.035 -10.285
281 HG SER 44 HG SER 44 24.594 -2.696 -8.201
282 H SER 45 H SER 45 26.827 -2.272 -12.646
283 HA SER 45 HA SER 45 25.391 -4.622 -13.590
284 HB2 SER 45 1HB SER 45 24.737 -2.624 -15.036
285 HB3 SER 45 2HB SER 45 26.409 -2.609 -15.597
286 HG SER 45 HG SER 45 25.066 -5.045 -15.674
287 H GLY 46 H GLY 46 26.736 -6.059 -14.872
288 HA2 GLY 46 1HA GLY 46 29.278 -5.908 -15.686
289 HA3 GLY 46 2HA GLY 46 29.491 -5.983 -13.943
Start of MODEL 3
1 H1 GLY 1 H GLY 1 16.067 -27.496 3.796
2 HA2 GLY 1 1HA GLY 1 15.169 -28.139 1.057
3 HA3 GLY 1 2HA GLY 1 14.924 -29.178 2.453
4 H SER 2 H SER 2 14.131 -25.910 1.285
5 HA SER 2 HA SER 2 11.421 -26.293 2.358
6 HB2 SER 2 1HB SER 2 13.130 -23.810 2.629
7 HB3 SER 2 2HB SER 2 11.407 -23.873 2.999
8 HG SER 2 HG SER 2 12.083 -25.702 4.441
9 H SER 3 H SER 3 9.761 -25.165 1.257
10 HA SER 3 HA SER 3 10.149 -24.995 -1.551
11 HB2 SER 3 1HB SER 3 7.778 -24.163 -1.562
12 HB3 SER 3 2HB SER 3 8.001 -25.690 -0.707
13 HG SER 3 HG SER 3 6.697 -24.063 0.398
14 H GLY 4 H GLY 4 9.415 -22.522 0.912
15 HA2 GLY 4 1HA GLY 4 10.784 -20.456 0.761
16 HA3 GLY 4 2HA GLY 4 10.484 -20.508 -0.970
17 H SER 5 H SER 5 8.234 -21.034 1.721
18 HA SER 5 HA SER 5 6.668 -18.745 0.722
19 HB2 SER 5 1HB SER 5 5.367 -20.674 0.292
20 HB3 SER 5 2HB SER 5 5.781 -21.399 1.845
21 HG SER 5 HG SER 5 3.789 -20.589 2.160
22 H SER 6 H SER 6 7.201 -17.116 2.063
23 HA SER 6 HA SER 6 7.076 -17.622 4.962
24 HB2 SER 6 1HB SER 6 8.561 -15.499 3.401
25 HB3 SER 6 2HB SER 6 8.421 -15.503 5.159
26 HG SER 6 HG SER 6 10.155 -16.827 3.642
27 H GLY 7 H GLY 7 4.756 -17.430 4.905
28 HA2 GLY 7 1HA GLY 7 2.739 -16.269 4.790
29 HA3 GLY 7 2HA GLY 7 3.628 -15.220 5.885
30 H SER 8 H SER 8 4.161 -15.742 2.423
31 HA SER 8 HA SER 8 4.590 -13.075 1.800
32 HB2 SER 8 1HB SER 8 5.091 -15.095 0.352
33 HB3 SER 8 2HB SER 8 3.388 -15.087 -0.109
34 HG SER 8 HG SER 8 3.847 -13.568 -1.470
35 H GLY 9 H GLY 9 1.609 -14.953 1.208
36 HA2 GLY 9 1HA GLY 9 -0.594 -14.294 1.198
37 HA3 GLY 9 2HA GLY 9 -0.091 -12.826 2.024
38 H GLU 10 H GLU 10 -1.717 -13.784 -0.557
39 HA GLU 10 HA GLU 10 -0.560 -11.890 -2.458
40 HB2 GLU 10 1HB GLU 10 -1.246 -14.161 -3.220
41 HB3 GLU 10 2HB GLU 10 -2.909 -13.759 -2.816
42 HG2 GLU 10 1HG GLU 10 -2.861 -13.352 -5.072
43 HG3 GLU 10 2HG GLU 10 -2.539 -11.749 -4.413
44 H LYS 11 H LYS 11 -1.738 -10.172 -3.352
45 HA LYS 11 HA LYS 11 -4.282 -9.478 -2.086
46 HB2 LYS 11 1HB LYS 11 -1.725 -7.978 -1.842
47 HB3 LYS 11 2HB LYS 11 -3.195 -7.038 -2.060
48 HG2 LYS 11 1HG LYS 11 -4.060 -7.660 -0.030
49 HG3 LYS 11 2HG LYS 11 -3.137 -9.163 0.024
50 HD2 LYS 11 1HD LYS 11 -1.071 -7.808 0.336
51 HD3 LYS 11 2HD LYS 11 -2.085 -6.367 0.441
52 HE2 LYS 11 1HE LYS 11 -2.918 -6.937 2.494
53 HE3 LYS 11 2HE LYS 11 -2.726 -8.667 2.212
54 HZ1 LYS 11 3HZ LYS 11 -0.997 -8.411 3.599
55 HZ2 LYS 11 1HZ LYS 11 -0.847 -6.751 3.308
56 HZ3 LYS 11 2HZ LYS 11 -0.184 -7.863 2.221
57 HA PRO 12 HA PRO 12 -5.463 -8.008 -6.047
58 HB2 PRO 12 1HB PRO 12 -6.963 -5.826 -5.448
59 HB3 PRO 12 2HB PRO 12 -7.508 -7.479 -5.142
60 HG2 PRO 12 1HG PRO 12 -6.305 -5.501 -3.246
61 HG3 PRO 12 2HG PRO 12 -7.679 -6.594 -2.999
62 HD2 PRO 12 1HD PRO 12 -5.200 -7.133 -2.052
63 HD3 PRO 12 2HD PRO 12 -6.321 -8.407 -2.572
64 H PHE 13 H PHE 13 -3.567 -6.030 -3.991
65 HA PHE 13 HA PHE 13 -2.393 -4.693 -6.262
66 HB2 PHE 13 1HB PHE 13 -3.779 -3.090 -4.102
67 HB3 PHE 13 2HB PHE 13 -2.723 -2.414 -5.339
68 HD1 PHE 13 HD2 PHE 13 -5.900 -4.245 -4.829
69 HD2 PHE 13 HD1 PHE 13 -3.549 -1.857 -7.453
70 HE1 PHE 13 HE2 PHE 13 -7.827 -4.017 -6.342
71 HE2 PHE 13 HE1 PHE 13 -5.473 -1.624 -8.970
72 HZ PHE 13 HZ PHE 13 -7.615 -2.706 -8.416
73 H LYS 14 H LYS 14 -0.355 -5.282 -5.844
74 HA LYS 14 HA LYS 14 0.748 -4.601 -3.199
75 HB2 LYS 14 1HB LYS 14 2.387 -6.549 -3.732
76 HB3 LYS 14 2HB LYS 14 0.784 -6.921 -3.110
77 HG2 LYS 14 1HG LYS 14 0.004 -7.447 -5.338
78 HG3 LYS 14 2HG LYS 14 1.566 -6.985 -6.018
79 HD2 LYS 14 1HD LYS 14 2.466 -8.776 -4.311
80 HD3 LYS 14 2HD LYS 14 0.817 -9.396 -4.431
81 HE2 LYS 14 1HE LYS 14 1.047 -9.562 -6.853
82 HE3 LYS 14 2HE LYS 14 2.680 -8.905 -6.753
83 HZ1 LYS 14 3HZ LYS 14 1.788 -11.447 -5.503
84 HZ2 LYS 14 1HZ LYS 14 3.362 -10.826 -5.489
85 HZ3 LYS 14 2HZ LYS 14 2.664 -11.327 -6.945
86 H CYS 15 H CYS 15 3.068 -4.151 -3.198
87 HA CYS 15 HA CYS 15 3.780 -2.377 -5.303
88 HB2 CYS 15 1HB CYS 15 4.467 -2.091 -2.920
89 HB3 CYS 15 2HB CYS 15 5.549 -3.468 -3.106
90 H GLU 16 H GLU 16 5.481 -2.528 -6.795
91 HA GLU 16 HA GLU 16 6.021 -5.253 -7.672
92 HB2 GLU 16 1HB GLU 16 6.360 -4.405 -9.772
93 HB3 GLU 16 2HB GLU 16 5.298 -3.163 -9.126
94 HG2 GLU 16 1HG GLU 16 7.168 -1.727 -8.668
95 HG3 GLU 16 2HG GLU 16 8.301 -2.991 -9.142
96 H GLU 17 H GLU 17 7.596 -2.633 -6.095
97 HA GLU 17 HA GLU 17 10.279 -3.371 -6.747
98 HB2 GLU 17 1HB GLU 17 9.057 -1.559 -4.679
99 HB3 GLU 17 2HB GLU 17 10.784 -1.886 -4.703
100 HG2 GLU 17 1HG GLU 17 10.801 -1.092 -7.083
101 HG3 GLU 17 2HG GLU 17 9.137 -0.563 -6.839
102 H CYS 18 H CYS 18 8.531 -3.507 -3.637
103 HA CYS 18 HA CYS 18 10.301 -5.699 -2.818
104 HB2 CYS 18 1HB CYS 18 9.321 -5.224 -0.525
105 HB3 CYS 18 2HB CYS 18 10.315 -3.945 -1.216
106 H GLY 19 H GLY 19 6.854 -4.787 -2.696
107 HA2 GLY 19 1HA GLY 19 5.375 -6.586 -3.683
108 HA3 GLY 19 2HA GLY 19 6.209 -7.667 -2.576
109 H LYS 20 H LYS 20 5.691 -4.546 -1.333
110 HA LYS 20 HA LYS 20 4.344 -5.222 0.915
111 HB2 LYS 20 1HB LYS 20 5.164 -2.888 -0.057
112 HB3 LYS 20 2HB LYS 20 3.453 -2.711 -0.423
113 HG2 LYS 20 1HG LYS 20 3.452 -1.793 1.642
114 HG3 LYS 20 2HG LYS 20 3.234 -3.480 2.113
115 HD2 LYS 20 1HD LYS 20 5.994 -2.373 1.819
116 HD3 LYS 20 2HD LYS 20 5.061 -2.015 3.274
117 HE2 LYS 20 1HE LYS 20 4.716 -4.458 3.578
118 HE3 LYS 20 2HE LYS 20 5.786 -4.741 2.206
119 HZ1 LYS 20 3HZ LYS 20 6.681 -4.741 4.656
120 HZ2 LYS 20 1HZ LYS 20 6.771 -3.071 4.399
121 HZ3 LYS 20 2HZ LYS 20 7.616 -4.130 3.385
122 H GLY 21 H GLY 21 2.080 -4.893 1.584
123 HA2 GLY 21 1HA GLY 21 0.250 -5.835 -0.531
124 HA3 GLY 21 2HA GLY 21 0.086 -6.219 1.176
125 H PHE 22 H PHE 22 -1.756 -4.926 -0.801
126 HA PHE 22 HA PHE 22 -2.660 -2.819 0.961
127 HB2 PHE 22 1HB PHE 22 -2.070 -2.191 -1.938
128 HB3 PHE 22 2HB PHE 22 -2.757 -1.090 -0.749
129 HD1 PHE 22 HD1 PHE 22 -1.308 -0.597 1.333
130 HD2 PHE 22 HD2 PHE 22 0.212 -2.233 -2.290
131 HE1 PHE 22 HE1 PHE 22 0.954 0.151 1.949
132 HE2 PHE 22 HE2 PHE 22 2.477 -1.489 -1.680
133 HZ PHE 22 HZ PHE 22 2.850 -0.296 0.442
134 H TYR 23 H TYR 23 -4.710 -1.757 -0.165
135 HA TYR 23 HA TYR 23 -6.261 -3.924 -1.419
136 HB2 TYR 23 1HB TYR 23 -7.293 -1.973 0.649
137 HB3 TYR 23 2HB TYR 23 -8.204 -3.278 -0.103
138 HD1 TYR 23 HD1 TYR 23 -6.357 -5.530 0.028
139 HD2 TYR 23 HD2 TYR 23 -7.137 -2.494 2.905
140 HE1 TYR 23 HE1 TYR 23 -5.655 -7.059 1.822
141 HE2 TYR 23 HE2 TYR 23 -6.437 -4.014 4.707
142 HH TYR 23 HH TYR 23 -5.189 -5.978 5.079
143 H THR 24 H THR 24 -5.523 -0.542 -1.215
144 HA THR 24 HA THR 24 -7.242 -0.057 -3.560
145 HB THR 24 HB THR 24 -7.504 2.275 -2.824
146 HG1 THR 24 HG1 THR 24 -5.536 2.273 -1.514
147 HG21 THR 24 3HG2 THR 24 -9.302 1.792 -1.544
148 HG22 THR 24 1HG2 THR 24 -8.359 0.849 -0.391
149 HG23 THR 24 2HG2 THR 24 -8.873 0.122 -1.913
150 H ASN 25 H ASN 25 -6.331 0.929 -5.289
151 HA ASN 25 HA ASN 25 -3.651 0.841 -5.797
152 HB2 ASN 25 1HB ASN 25 -4.068 2.488 -7.613
153 HB3 ASN 25 2HB ASN 25 -5.267 1.199 -7.569
154 HD21 ASN 25 1HD2 ASN 25 -5.046 4.260 -8.264
155 HD22 ASN 25 2HD2 ASN 25 -6.546 4.871 -7.662
156 H SER 26 H SER 26 -5.439 3.776 -4.845
157 HA SER 26 HA SER 26 -3.538 5.659 -4.732
158 HB2 SER 26 1HB SER 26 -5.779 5.043 -2.843
159 HB3 SER 26 2HB SER 26 -4.661 6.350 -2.453
160 HG SER 26 HG SER 26 -5.680 6.295 -5.039
161 H GLN 27 H GLN 27 -4.139 3.501 -1.953
162 HA GLN 27 HA GLN 27 -1.949 4.259 -0.429
163 HB2 GLN 27 1HB GLN 27 -3.641 1.808 -0.572
164 HB3 GLN 27 2HB GLN 27 -2.160 1.741 0.375
165 HG2 GLN 27 1HG GLN 27 -4.000 4.025 0.820
166 HG3 GLN 27 2HG GLN 27 -4.468 2.441 1.437
167 HE21 GLN 27 1HE2 GLN 27 -4.185 4.212 3.309
168 HE22 GLN 27 2HE2 GLN 27 -2.694 4.051 4.166
169 H CYS 28 H CYS 28 -2.182 1.406 -2.560
170 HA CYS 28 HA CYS 28 0.341 0.413 -2.363
171 HB2 CYS 28 1HB CYS 28 -1.382 -0.634 -3.739
172 HB3 CYS 28 2HB CYS 28 -1.292 0.690 -4.894
173 HG CYS 28 HG CYS 28 1.610 -0.022 -5.202
174 H TYR 29 H TYR 29 -0.682 3.081 -4.469
175 HA TYR 29 HA TYR 29 1.861 3.520 -5.627
176 HB2 TYR 29 1HB TYR 29 -0.454 4.339 -6.423
177 HB3 TYR 29 2HB TYR 29 -0.220 5.668 -5.293
178 HD1 TYR 29 HD2 TYR 29 2.262 6.755 -5.532
179 HD2 TYR 29 HD1 TYR 29 0.096 4.775 -8.612
180 HE1 TYR 29 HE2 TYR 29 3.571 7.968 -7.224
181 HE2 TYR 29 HE1 TYR 29 1.400 5.982 -10.313
182 HH TYR 29 HH TYR 29 3.024 8.645 -9.837
183 H SER 30 H SER 30 0.155 5.123 -2.952
184 HA SER 30 HA SER 30 1.882 7.125 -2.306
185 HB2 SER 30 1HB SER 30 -0.183 6.795 -1.079
186 HB3 SER 30 2HB SER 30 0.419 5.282 -0.402
187 HG SER 30 HG SER 30 2.119 6.593 0.565
188 H HIS 31 H HIS 31 2.233 3.699 -1.531
189 HA HIS 31 HA HIS 31 4.613 4.056 0.020
190 HB2 HIS 31 1HB HIS 31 3.548 2.104 0.624
191 HB3 HIS 31 2HB HIS 31 3.070 1.726 -1.028
192 HD1 HIS 31 HD1 HIS 31 5.844 1.275 1.417
193 HD2 HIS 31 HD2 HIS 31 4.991 0.326 -2.537
194 HE1 HIS 31 HE1 HIS 31 7.593 -0.398 0.735
195 H GLN 32 H GLN 32 3.946 2.880 -3.268
196 HA GLN 32 HA GLN 32 6.409 2.151 -4.138
197 HB2 GLN 32 1HB GLN 32 4.090 2.462 -5.387
198 HB3 GLN 32 2HB GLN 32 4.853 3.946 -5.941
199 HG2 GLN 32 1HG GLN 32 6.703 2.665 -6.868
200 HG3 GLN 32 2HG GLN 32 5.965 1.171 -6.290
201 HE21 GLN 32 1HE2 GLN 32 5.399 0.131 -8.082
202 HE22 GLN 32 2HE2 GLN 32 4.416 0.776 -9.346
203 H ARG 33 H ARG 33 5.206 5.466 -3.840
204 HA ARG 33 HA ARG 33 7.349 6.805 -5.012
205 HB2 ARG 33 1HB ARG 33 5.627 7.709 -2.697
206 HB3 ARG 33 2HB ARG 33 6.635 8.755 -3.689
207 HG2 ARG 33 1HG ARG 33 5.244 8.576 -5.527
208 HG3 ARG 33 2HG ARG 33 4.519 7.071 -4.957
209 HD2 ARG 33 1HD ARG 33 2.919 8.852 -4.721
210 HD3 ARG 33 2HD ARG 33 3.445 8.334 -3.120
211 HE ARG 33 HE ARG 33 4.997 10.520 -4.068
212 HH11 ARG 33 1HH1 ARG 33 1.916 9.693 -2.673
213 HH12 ARG 33 2HH1 ARG 33 1.685 11.246 -1.940
214 HH21 ARG 33 1HH2 ARG 33 4.703 12.568 -3.109
215 HH22 ARG 33 2HH2 ARG 33 3.270 12.881 -2.189
216 H SER 34 H SER 34 6.846 5.923 -1.603
217 HA SER 34 HA SER 34 8.954 7.027 -0.346
218 HB2 SER 34 1HB SER 34 7.305 5.455 0.687
219 HB3 SER 34 2HB SER 34 8.209 4.112 -0.012
220 HG SER 34 HG SER 34 8.796 5.700 2.162
221 H HIS 35 H HIS 35 9.145 3.935 -2.110
222 HA HIS 35 HA HIS 35 11.738 3.245 -1.803
223 HB2 HIS 35 1HB HIS 35 9.935 3.101 -4.193
224 HB3 HIS 35 2HB HIS 35 11.610 2.576 -4.334
225 HD1 HIS 35 HD1 HIS 35 12.203 0.869 -2.089
226 HD2 HIS 35 HD2 HIS 35 8.363 0.982 -3.671
227 HE1 HIS 35 HE1 HIS 35 11.113 -1.279 -1.364
228 H SER 36 H SER 36 13.408 4.615 -1.704
229 HA SER 36 HA SER 36 13.617 6.878 -3.486
230 HB2 SER 36 1HB SER 36 14.361 6.738 -0.998
231 HB3 SER 36 2HB SER 36 15.809 5.965 -1.643
232 HG SER 36 HG SER 36 15.796 8.360 -1.382
233 H GLY 37 H GLY 37 13.745 5.771 -5.509
234 HA2 GLY 37 1HA GLY 37 16.468 4.787 -6.057
235 HA3 GLY 37 2HA GLY 37 15.075 3.878 -6.626
236 H GLU 38 H GLU 38 17.326 6.210 -7.420
237 HA GLU 38 HA GLU 38 15.656 7.641 -9.312
238 HB2 GLU 38 1HB GLU 38 17.716 8.874 -9.857
239 HB3 GLU 38 2HB GLU 38 17.383 8.880 -8.131
240 HG2 GLU 38 1HG GLU 38 19.598 8.418 -8.069
241 HG3 GLU 38 2HG GLU 38 18.976 6.773 -8.183
242 H LYS 39 H LYS 39 15.651 4.935 -9.847
243 HA LYS 39 HA LYS 39 16.789 4.920 -12.520
244 HB2 LYS 39 1HB LYS 39 17.640 3.064 -10.331
245 HB3 LYS 39 2HB LYS 39 17.569 2.467 -11.984
246 HG2 LYS 39 1HG LYS 39 19.087 4.295 -12.667
247 HG3 LYS 39 2HG LYS 39 19.216 4.776 -10.974
248 HD2 LYS 39 1HD LYS 39 21.078 3.438 -11.211
249 HD3 LYS 39 2HD LYS 39 19.889 2.276 -10.617
250 HE2 LYS 39 1HE LYS 39 20.342 2.717 -13.553
251 HE3 LYS 39 2HE LYS 39 21.337 1.598 -12.621
252 HZ1 LYS 39 3HZ LYS 39 19.037 0.675 -11.890
253 HZ2 LYS 39 1HZ LYS 39 19.689 0.227 -13.386
254 HZ3 LYS 39 2HZ LYS 39 18.488 1.415 -13.309
255 HA PRO 40 HA PRO 40 13.054 2.831 -13.501
256 HB2 PRO 40 1HB PRO 40 13.826 1.379 -15.662
257 HB3 PRO 40 2HB PRO 40 13.609 3.133 -15.710
258 HG2 PRO 40 1HG PRO 40 16.130 1.542 -15.430
259 HG3 PRO 40 2HG PRO 40 15.817 2.977 -16.424
260 HD2 PRO 40 1HD PRO 40 17.106 3.105 -14.047
261 HD3 PRO 40 2HD PRO 40 16.076 4.421 -14.646
262 H SER 41 H SER 41 12.278 1.289 -12.201
263 HA SER 41 HA SER 41 13.447 -0.739 -10.913
264 HB2 SER 41 1HB SER 41 10.721 -0.505 -12.115
265 HB3 SER 41 2HB SER 41 11.198 -2.049 -11.410
266 HG SER 41 HG SER 41 11.878 -0.570 -9.557
267 H GLY 42 H GLY 42 12.116 -1.088 -14.204
268 HA2 GLY 42 1HA GLY 42 13.388 -2.241 -15.905
269 HA3 GLY 42 2HA GLY 42 14.062 -3.259 -14.641
270 HA PRO 43 HA PRO 43 10.815 -5.800 -16.625
271 HB2 PRO 43 1HB PRO 43 12.131 -8.144 -16.252
272 HB3 PRO 43 2HB PRO 43 12.447 -7.074 -17.622
273 HG2 PRO 43 1HG PRO 43 13.965 -7.368 -15.059
274 HG3 PRO 43 2HG PRO 43 14.583 -7.211 -16.714
275 HD2 PRO 43 1HD PRO 43 14.509 -5.131 -14.982
276 HD3 PRO 43 2HD PRO 43 14.306 -4.923 -16.733
277 H SER 44 H SER 44 9.151 -5.873 -15.221
278 HA SER 44 HA SER 44 9.521 -7.443 -12.754
279 HB2 SER 44 1HB SER 44 9.217 -5.234 -11.980
280 HB3 SER 44 2HB SER 44 7.983 -4.888 -13.193
281 HG SER 44 HG SER 44 6.656 -5.393 -11.643
282 H SER 45 H SER 45 8.781 -9.346 -13.698
283 HA SER 45 HA SER 45 6.619 -9.743 -15.337
284 HB2 SER 45 1HB SER 45 7.993 -11.414 -13.292
285 HB3 SER 45 2HB SER 45 6.435 -11.985 -13.888
286 HG SER 45 HG SER 45 8.284 -11.115 -15.779
287 H GLY 46 H GLY 46 4.676 -8.829 -15.074
288 HA2 GLY 46 1HA GLY 46 3.508 -8.549 -12.430
289 HA3 GLY 46 2HA GLY 46 2.838 -7.944 -13.938
Start of MODEL 4
1 H1 GLY 1 H GLY 1 14.751 -6.502 19.224
2 HA2 GLY 1 1HA GLY 1 15.323 -7.047 16.858
3 HA3 GLY 1 2HA GLY 1 14.167 -8.184 17.536
4 H SER 2 H SER 2 14.726 -6.988 14.762
5 HA SER 2 HA SER 2 12.585 -5.407 13.943
6 HB2 SER 2 1HB SER 2 14.331 -7.388 12.501
7 HB3 SER 2 2HB SER 2 13.017 -6.564 11.663
8 HG SER 2 HG SER 2 15.153 -5.304 13.048
9 H SER 3 H SER 3 10.887 -6.212 12.316
10 HA SER 3 HA SER 3 9.615 -8.640 13.401
11 HB2 SER 3 1HB SER 3 8.546 -6.331 13.898
12 HB3 SER 3 2HB SER 3 8.055 -6.362 12.205
13 HG SER 3 HG SER 3 6.965 -8.315 12.628
14 H GLY 4 H GLY 4 8.903 -10.150 11.991
15 HA2 GLY 4 1HA GLY 4 8.946 -9.471 9.121
16 HA3 GLY 4 2HA GLY 4 9.766 -10.908 9.712
17 H SER 5 H SER 5 6.967 -9.766 8.355
18 HA SER 5 HA SER 5 5.226 -11.772 9.562
19 HB2 SER 5 1HB SER 5 4.791 -9.428 7.741
20 HB3 SER 5 2HB SER 5 3.570 -10.697 7.840
21 HG SER 5 HG SER 5 2.932 -9.560 9.501
22 H SER 6 H SER 6 5.226 -13.758 8.768
23 HA SER 6 HA SER 6 6.513 -14.808 6.664
24 HB2 SER 6 1HB SER 6 5.210 -16.152 8.268
25 HB3 SER 6 2HB SER 6 3.716 -15.616 7.500
26 HG SER 6 HG SER 6 5.019 -16.531 5.525
27 H GLY 7 H GLY 7 3.164 -13.595 6.461
28 HA2 GLY 7 1HA GLY 7 2.842 -12.102 4.438
29 HA3 GLY 7 2HA GLY 7 3.504 -13.454 3.532
30 H SER 8 H SER 8 0.742 -11.951 4.024
31 HA SER 8 HA SER 8 -1.138 -13.808 4.868
32 HB2 SER 8 1HB SER 8 -1.249 -11.473 2.990
33 HB3 SER 8 2HB SER 8 -2.660 -12.515 3.169
34 HG SER 8 HG SER 8 -3.010 -11.699 5.078
35 H GLY 9 H GLY 9 -0.025 -13.176 1.540
36 HA2 GLY 9 1HA GLY 9 0.354 -15.594 0.525
37 HA3 GLY 9 2HA GLY 9 -1.401 -15.579 0.617
38 H GLU 10 H GLU 10 -2.114 -13.117 -0.169
39 HA GLU 10 HA GLU 10 -0.740 -12.061 -2.385
40 HB2 GLU 10 1HB GLU 10 -1.324 -14.220 -3.413
41 HB3 GLU 10 2HB GLU 10 -3.024 -13.916 -3.082
42 HG2 GLU 10 1HG GLU 10 -2.512 -11.715 -4.463
43 HG3 GLU 10 2HG GLU 10 -1.248 -12.740 -5.140
44 H LYS 11 H LYS 11 -1.722 -10.217 -3.190
45 HA LYS 11 HA LYS 11 -4.371 -9.546 -2.103
46 HB2 LYS 11 1HB LYS 11 -1.799 -8.093 -1.765
47 HB3 LYS 11 2HB LYS 11 -3.238 -7.121 -2.044
48 HG2 LYS 11 1HG LYS 11 -4.291 -7.958 -0.093
49 HG3 LYS 11 2HG LYS 11 -3.063 -9.210 0.110
50 HD2 LYS 11 1HD LYS 11 -1.377 -7.484 0.530
51 HD3 LYS 11 2HD LYS 11 -2.605 -6.233 0.323
52 HE2 LYS 11 1HE LYS 11 -3.636 -6.728 2.319
53 HE3 LYS 11 2HE LYS 11 -3.067 -8.396 2.322
54 HZ1 LYS 11 3HZ LYS 11 -1.448 -5.974 2.892
55 HZ2 LYS 11 1HZ LYS 11 -0.816 -7.539 2.770
56 HZ3 LYS 11 2HZ LYS 11 -1.914 -7.163 4.001
57 HA PRO 12 HA PRO 12 -5.408 -8.040 -6.091
58 HB2 PRO 12 1HB PRO 12 -6.881 -5.830 -5.530
59 HB3 PRO 12 2HB PRO 12 -7.468 -7.473 -5.244
60 HG2 PRO 12 1HG PRO 12 -6.280 -5.522 -3.309
61 HG3 PRO 12 2HG PRO 12 -7.682 -6.587 -3.105
62 HD2 PRO 12 1HD PRO 12 -5.243 -7.178 -2.088
63 HD3 PRO 12 2HD PRO 12 -6.374 -8.428 -2.643
64 H PHE 13 H PHE 13 -3.710 -5.934 -3.916
65 HA PHE 13 HA PHE 13 -2.359 -4.685 -6.159
66 HB2 PHE 13 1HB PHE 13 -3.811 -3.028 -4.085
67 HB3 PHE 13 2HB PHE 13 -2.743 -2.396 -5.334
68 HD1 PHE 13 HD2 PHE 13 -5.966 -4.078 -4.724
69 HD2 PHE 13 HD1 PHE 13 -3.505 -2.051 -7.544
70 HE1 PHE 13 HE2 PHE 13 -7.877 -3.909 -6.265
71 HE2 PHE 13 HE1 PHE 13 -5.413 -1.878 -9.089
72 HZ PHE 13 HZ PHE 13 -7.602 -2.809 -8.450
73 H LYS 14 H LYS 14 -0.290 -4.977 -5.697
74 HA LYS 14 HA LYS 14 0.652 -4.359 -2.984
75 HB2 LYS 14 1HB LYS 14 2.272 -6.277 -3.213
76 HB3 LYS 14 2HB LYS 14 0.588 -6.740 -3.002
77 HG2 LYS 14 1HG LYS 14 1.134 -8.147 -4.690
78 HG3 LYS 14 2HG LYS 14 0.648 -6.748 -5.652
79 HD2 LYS 14 1HD LYS 14 2.860 -6.145 -6.106
80 HD3 LYS 14 2HD LYS 14 3.494 -7.120 -4.778
81 HE2 LYS 14 1HE LYS 14 4.033 -8.354 -6.681
82 HE3 LYS 14 2HE LYS 14 2.569 -9.130 -6.080
83 HZ1 LYS 14 3HZ LYS 14 2.227 -6.977 -8.018
84 HZ2 LYS 14 1HZ LYS 14 1.359 -8.418 -7.836
85 HZ3 LYS 14 2HZ LYS 14 2.868 -8.430 -8.600
86 H CYS 15 H CYS 15 2.948 -3.849 -2.872
87 HA CYS 15 HA CYS 15 3.746 -2.023 -4.843
88 HB2 CYS 15 1HB CYS 15 4.506 -1.981 -2.476
89 HB3 CYS 15 2HB CYS 15 5.499 -3.399 -2.797
90 H GLU 16 H GLU 16 5.397 -2.091 -6.394
91 HA GLU 16 HA GLU 16 5.823 -4.744 -7.528
92 HB2 GLU 16 1HB GLU 16 6.166 -3.719 -9.566
93 HB3 GLU 16 2HB GLU 16 5.060 -2.586 -8.801
94 HG2 GLU 16 1HG GLU 16 6.833 -1.090 -8.274
95 HG3 GLU 16 2HG GLU 16 8.048 -2.269 -8.763
96 H GLU 17 H GLU 17 7.524 -2.274 -5.831
97 HA GLU 17 HA GLU 17 10.158 -2.993 -6.649
98 HB2 GLU 17 1HB GLU 17 9.059 -1.388 -4.352
99 HB3 GLU 17 2HB GLU 17 10.779 -1.722 -4.500
100 HG2 GLU 17 1HG GLU 17 9.213 -0.450 -6.717
101 HG3 GLU 17 2HG GLU 17 9.928 0.492 -5.410
102 H CYS 18 H CYS 18 8.415 -3.517 -3.578
103 HA CYS 18 HA CYS 18 10.202 -5.798 -3.056
104 HB2 CYS 18 1HB CYS 18 9.472 -5.523 -0.670
105 HB3 CYS 18 2HB CYS 18 10.377 -4.157 -1.314
106 H GLY 19 H GLY 19 6.818 -4.747 -2.681
107 HA2 GLY 19 1HA GLY 19 5.274 -6.482 -3.767
108 HA3 GLY 19 2HA GLY 19 6.028 -7.585 -2.627
109 H LYS 20 H LYS 20 5.808 -4.583 -1.216
110 HA LYS 20 HA LYS 20 4.326 -5.120 0.924
111 HB2 LYS 20 1HB LYS 20 5.325 -2.861 0.120
112 HB3 LYS 20 2HB LYS 20 3.717 -2.561 -0.526
113 HG2 LYS 20 1HG LYS 20 3.474 -1.595 1.509
114 HG3 LYS 20 2HG LYS 20 3.005 -3.244 1.931
115 HD2 LYS 20 1HD LYS 20 5.600 -3.492 2.364
116 HD3 LYS 20 2HD LYS 20 5.494 -1.743 2.579
117 HE2 LYS 20 1HE LYS 20 4.035 -1.939 4.393
118 HE3 LYS 20 2HE LYS 20 3.602 -3.598 3.984
119 HZ1 LYS 20 3HZ LYS 20 5.430 -2.860 5.843
120 HZ2 LYS 20 1HZ LYS 20 6.402 -3.258 4.517
121 HZ3 LYS 20 2HZ LYS 20 5.314 -4.394 5.140
122 H GLY 21 H GLY 21 2.206 -5.318 1.559
123 HA2 GLY 21 1HA GLY 21 0.321 -5.936 -0.581
124 HA3 GLY 21 2HA GLY 21 0.117 -6.303 1.126
125 H PHE 22 H PHE 22 -1.648 -4.962 -0.891
126 HA PHE 22 HA PHE 22 -2.454 -2.767 0.832
127 HB2 PHE 22 1HB PHE 22 -2.003 -2.306 -2.122
128 HB3 PHE 22 2HB PHE 22 -2.555 -1.122 -0.942
129 HD1 PHE 22 HD1 PHE 22 -0.911 -0.796 1.108
130 HD2 PHE 22 HD2 PHE 22 0.210 -2.291 -2.716
131 HE1 PHE 22 HE1 PHE 22 1.420 -0.134 1.537
132 HE2 PHE 22 HE2 PHE 22 2.543 -1.633 -2.293
133 HZ PHE 22 HZ PHE 22 3.151 -0.554 -0.165
134 H TYR 23 H TYR 23 -4.511 -1.698 -0.307
135 HA TYR 23 HA TYR 23 -6.175 -3.885 -1.364
136 HB2 TYR 23 1HB TYR 23 -6.953 -1.846 0.730
137 HB3 TYR 23 2HB TYR 23 -8.068 -2.975 -0.031
138 HD1 TYR 23 HD1 TYR 23 -6.495 -5.457 -0.067
139 HD2 TYR 23 HD2 TYR 23 -6.856 -2.492 2.963
140 HE1 TYR 23 HE1 TYR 23 -5.956 -7.144 1.639
141 HE2 TYR 23 HE2 TYR 23 -6.316 -4.171 4.678
142 HH TYR 23 HH TYR 23 -5.464 -7.492 3.794
143 H THR 24 H THR 24 -5.384 -0.498 -1.321
144 HA THR 24 HA THR 24 -7.127 -0.103 -3.664
145 HB THR 24 HB THR 24 -7.452 2.230 -3.009
146 HG1 THR 24 HG1 THR 24 -5.593 1.520 -1.058
147 HG21 THR 24 3HG2 THR 24 -9.277 1.247 -2.132
148 HG22 THR 24 1HG2 THR 24 -8.490 1.541 -0.582
149 HG23 THR 24 2HG2 THR 24 -8.339 -0.033 -1.363
150 H ASN 25 H ASN 25 -6.119 0.541 -5.455
151 HA ASN 25 HA ASN 25 -3.455 0.580 -5.893
152 HB2 ASN 25 1HB ASN 25 -5.382 0.861 -7.575
153 HB3 ASN 25 2HB ASN 25 -5.216 2.590 -7.283
154 HD21 ASN 25 1HD2 ASN 25 -3.015 3.483 -7.588
155 HD22 ASN 25 2HD2 ASN 25 -2.066 2.854 -8.887
156 H SER 26 H SER 26 -5.398 3.355 -4.859
157 HA SER 26 HA SER 26 -3.556 5.381 -4.991
158 HB2 SER 26 1HB SER 26 -5.744 4.825 -2.997
159 HB3 SER 26 2HB SER 26 -4.751 6.278 -2.888
160 HG SER 26 HG SER 26 -6.464 5.482 -4.997
161 H GLN 27 H GLN 27 -4.090 3.254 -2.179
162 HA GLN 27 HA GLN 27 -2.024 4.230 -0.591
163 HB2 GLN 27 1HB GLN 27 -3.555 1.682 -0.717
164 HB3 GLN 27 2HB GLN 27 -2.080 1.695 0.241
165 HG2 GLN 27 1HG GLN 27 -4.273 2.208 1.427
166 HG3 GLN 27 2HG GLN 27 -2.908 3.283 1.724
167 HE21 GLN 27 1HE2 GLN 27 -2.944 5.368 0.895
168 HE22 GLN 27 2HE2 GLN 27 -4.394 6.105 0.315
169 H CYS 28 H CYS 28 -1.970 1.301 -2.630
170 HA CYS 28 HA CYS 28 0.587 0.476 -2.342
171 HB2 CYS 28 1HB CYS 28 -0.919 -0.710 -3.796
172 HB3 CYS 28 2HB CYS 28 -1.007 0.655 -4.902
173 HG CYS 28 HG CYS 28 0.584 -1.725 -5.713
174 H TYR 29 H TYR 29 -0.489 3.224 -4.272
175 HA TYR 29 HA TYR 29 2.037 3.782 -5.440
176 HB2 TYR 29 1HB TYR 29 -0.263 4.592 -6.214
177 HB3 TYR 29 2HB TYR 29 -0.136 5.815 -4.954
178 HD1 TYR 29 HD2 TYR 29 2.364 6.975 -5.016
179 HD2 TYR 29 HD1 TYR 29 0.240 5.348 -8.324
180 HE1 TYR 29 HE2 TYR 29 3.646 8.418 -6.540
181 HE2 TYR 29 HE1 TYR 29 1.517 6.785 -9.858
182 HH TYR 29 HH TYR 29 2.777 9.092 -9.600
183 H SER 30 H SER 30 0.320 5.130 -2.638
184 HA SER 30 HA SER 30 2.005 7.139 -1.878
185 HB2 SER 30 1HB SER 30 -0.156 6.297 -0.749
186 HB3 SER 30 2HB SER 30 0.901 5.223 0.168
187 HG SER 30 HG SER 30 0.484 7.246 1.219
188 H HIS 31 H HIS 31 2.406 3.679 -1.260
189 HA HIS 31 HA HIS 31 4.883 4.078 0.172
190 HB2 HIS 31 1HB HIS 31 3.758 2.220 0.987
191 HB3 HIS 31 2HB HIS 31 3.236 1.705 -0.614
192 HD1 HIS 31 HD1 HIS 31 5.997 1.357 1.835
193 HD2 HIS 31 HD2 HIS 31 5.174 0.237 -2.080
194 HE1 HIS 31 HE1 HIS 31 7.730 -0.370 1.252
195 H GLN 32 H GLN 32 3.901 2.770 -2.978
196 HA GLN 32 HA GLN 32 6.316 1.907 -3.955
197 HB2 GLN 32 1HB GLN 32 3.865 3.035 -5.200
198 HB3 GLN 32 2HB GLN 32 5.300 2.926 -6.211
199 HG2 GLN 32 1HG GLN 32 5.421 0.575 -5.937
200 HG3 GLN 32 2HG GLN 32 4.197 0.597 -4.669
201 HE21 GLN 32 1HE2 GLN 32 4.089 -1.003 -6.979
202 HE22 GLN 32 2HE2 GLN 32 2.726 -0.503 -7.916
203 H ARG 33 H ARG 33 5.057 5.216 -3.920
204 HA ARG 33 HA ARG 33 7.201 6.377 -5.353
205 HB2 ARG 33 1HB ARG 33 6.291 8.474 -4.740
206 HB3 ARG 33 2HB ARG 33 4.916 7.392 -4.913
207 HG2 ARG 33 1HG ARG 33 4.464 7.379 -2.670
208 HG3 ARG 33 2HG ARG 33 6.133 7.737 -2.221
209 HD2 ARG 33 1HD ARG 33 4.630 9.791 -3.753
210 HD3 ARG 33 2HD ARG 33 4.204 9.552 -2.059
211 HE ARG 33 HE ARG 33 7.027 9.871 -2.543
212 HH11 ARG 33 1HH1 ARG 33 4.012 11.478 -1.876
213 HH12 ARG 33 2HH1 ARG 33 4.762 12.888 -1.204
214 HH21 ARG 33 1HH2 ARG 33 8.027 11.722 -1.661
215 HH22 ARG 33 2HH2 ARG 33 7.046 13.026 -1.083
216 H SER 34 H SER 34 6.855 5.339 -2.087
217 HA SER 34 HA SER 34 8.755 6.996 -0.837
218 HB2 SER 34 1HB SER 34 7.096 5.502 0.330
219 HB3 SER 34 2HB SER 34 8.120 4.131 -0.098
220 HG SER 34 HG SER 34 8.772 6.338 1.557
221 H HIS 35 H HIS 35 9.065 3.845 -2.428
222 HA HIS 35 HA HIS 35 11.655 3.181 -1.858
223 HB2 HIS 35 1HB HIS 35 9.978 2.811 -4.315
224 HB3 HIS 35 2HB HIS 35 11.664 2.301 -4.327
225 HD1 HIS 35 HD1 HIS 35 12.275 0.594 -2.245
226 HD2 HIS 35 HD2 HIS 35 8.288 0.922 -3.369
227 HE1 HIS 35 HE1 HIS 35 11.143 -1.451 -1.316
228 H SER 36 H SER 36 10.696 5.033 -4.756
229 HA SER 36 HA SER 36 13.323 6.365 -4.644
230 HB2 SER 36 1HB SER 36 11.836 5.188 -6.961
231 HB3 SER 36 2HB SER 36 12.879 6.584 -7.231
232 HG SER 36 HG SER 36 13.785 4.291 -5.852
233 H GLY 37 H GLY 37 12.877 8.327 -3.829
234 HA2 GLY 37 1HA GLY 37 11.099 10.050 -5.371
235 HA3 GLY 37 2HA GLY 37 10.690 9.824 -3.677
236 H GLU 38 H GLU 38 11.155 11.710 -2.728
237 HA GLU 38 HA GLU 38 13.303 13.392 -3.527
238 HB2 GLU 38 1HB GLU 38 11.421 13.377 -1.185
239 HB3 GLU 38 2HB GLU 38 12.753 14.521 -1.263
240 HG2 GLU 38 1HG GLU 38 10.500 15.319 -2.092
241 HG3 GLU 38 2HG GLU 38 11.882 15.585 -3.154
242 H LYS 39 H LYS 39 15.382 13.206 -3.060
243 HA LYS 39 HA LYS 39 16.292 12.379 -0.464
244 HB2 LYS 39 1HB LYS 39 17.707 10.508 -1.365
245 HB3 LYS 39 2HB LYS 39 15.981 10.176 -1.334
246 HG2 LYS 39 1HG LYS 39 16.471 9.405 -3.410
247 HG3 LYS 39 2HG LYS 39 16.123 11.089 -3.809
248 HD2 LYS 39 1HD LYS 39 18.685 11.405 -3.357
249 HD3 LYS 39 2HD LYS 39 18.747 9.669 -3.669
250 HE2 LYS 39 1HE LYS 39 19.139 10.661 -5.755
251 HE3 LYS 39 2HE LYS 39 17.443 10.181 -5.802
252 HZ1 LYS 39 3HZ LYS 39 18.618 12.848 -5.747
253 HZ2 LYS 39 1HZ LYS 39 17.183 12.636 -4.877
254 HZ3 LYS 39 2HZ LYS 39 17.226 12.294 -6.532
255 HA PRO 40 HA PRO 40 19.587 15.063 -1.590
256 HB2 PRO 40 1HB PRO 40 21.486 14.223 0.159
257 HB3 PRO 40 2HB PRO 40 20.078 15.171 0.652
258 HG2 PRO 40 1HG PRO 40 20.529 12.216 0.829
259 HG3 PRO 40 2HG PRO 40 19.818 13.313 2.027
260 HD2 PRO 40 1HD PRO 40 18.313 11.731 0.427
261 HD3 PRO 40 2HD PRO 40 17.763 13.324 0.983
262 H SER 41 H SER 41 20.663 11.707 -1.013
263 HA SER 41 HA SER 41 22.272 11.900 -3.473
264 HB2 SER 41 1HB SER 41 24.060 10.686 -2.468
265 HB3 SER 41 2HB SER 41 23.623 11.951 -1.320
266 HG SER 41 HG SER 41 23.788 9.430 -0.801
267 H GLY 42 H GLY 42 22.347 10.090 -4.786
268 HA2 GLY 42 1HA GLY 42 21.508 7.513 -4.147
269 HA3 GLY 42 2HA GLY 42 20.089 8.382 -4.711
270 HA PRO 43 HA PRO 43 22.034 6.525 -8.439
271 HB2 PRO 43 1HB PRO 43 19.671 5.922 -9.633
272 HB3 PRO 43 2HB PRO 43 20.449 4.862 -8.453
273 HG2 PRO 43 1HG PRO 43 18.211 6.811 -8.063
274 HG3 PRO 43 2HG PRO 43 18.384 5.165 -7.427
275 HD2 PRO 43 1HD PRO 43 18.900 7.364 -5.935
276 HD3 PRO 43 2HD PRO 43 19.777 5.836 -5.718
277 H SER 44 H SER 44 19.851 9.108 -7.827
278 HA SER 44 HA SER 44 19.130 10.118 -10.240
279 HB2 SER 44 1HB SER 44 18.950 11.099 -7.787
280 HB3 SER 44 2HB SER 44 20.348 12.043 -8.302
281 HG SER 44 HG SER 44 19.119 12.846 -10.015
282 H SER 45 H SER 45 20.074 11.965 -11.483
283 HA SER 45 HA SER 45 22.994 11.664 -11.754
284 HB2 SER 45 1HB SER 45 22.696 12.021 -14.195
285 HB3 SER 45 2HB SER 45 21.896 10.557 -13.625
286 HG SER 45 HG SER 45 19.933 11.694 -13.641
287 H GLY 46 H GLY 46 23.477 13.497 -10.554
288 HA2 GLY 46 1HA GLY 46 23.900 15.729 -10.227
289 HA3 GLY 46 2HA GLY 46 23.574 15.937 -11.941
Start of MODEL 5
1 H1 GLY 1 H GLY 1 23.980 -16.065 2.241
2 HA2 GLY 1 1HA GLY 1 22.762 -17.912 1.610
3 HA3 GLY 1 2HA GLY 1 22.171 -18.004 3.263
4 H SER 2 H SER 2 20.756 -18.412 0.718
5 HA SER 2 HA SER 2 19.059 -16.180 0.238
6 HB2 SER 2 1HB SER 2 19.450 -17.938 -1.450
7 HB3 SER 2 2HB SER 2 18.614 -19.103 -0.424
8 HG SER 2 HG SER 2 17.528 -16.797 -1.667
9 H SER 3 H SER 3 16.742 -16.113 0.624
10 HA SER 3 HA SER 3 15.791 -17.705 2.885
11 HB2 SER 3 1HB SER 3 14.933 -15.650 4.009
12 HB3 SER 3 2HB SER 3 16.694 -15.721 3.947
13 HG SER 3 HG SER 3 15.470 -13.687 3.281
14 H GLY 4 H GLY 4 13.586 -18.024 2.932
15 HA2 GLY 4 1HA GLY 4 11.965 -16.639 0.912
16 HA3 GLY 4 2HA GLY 4 12.028 -18.395 0.884
17 H SER 5 H SER 5 11.231 -15.648 2.984
18 HA SER 5 HA SER 5 9.260 -17.373 4.334
19 HB2 SER 5 1HB SER 5 10.546 -14.864 5.435
20 HB3 SER 5 2HB SER 5 9.486 -15.976 6.301
21 HG SER 5 HG SER 5 12.040 -16.096 6.280
22 H SER 6 H SER 6 7.215 -16.944 3.879
23 HA SER 6 HA SER 6 6.469 -14.181 3.183
24 HB2 SER 6 1HB SER 6 4.831 -15.095 1.571
25 HB3 SER 6 2HB SER 6 6.485 -15.531 1.144
26 HG SER 6 HG SER 6 5.504 -17.432 1.015
27 H GLY 7 H GLY 7 5.316 -13.455 4.855
28 HA2 GLY 7 1HA GLY 7 3.830 -15.157 6.597
29 HA3 GLY 7 2HA GLY 7 3.821 -13.399 6.605
30 H SER 8 H SER 8 2.845 -12.768 4.149
31 HA SER 8 HA SER 8 0.078 -13.657 4.400
32 HB2 SER 8 1HB SER 8 1.304 -11.413 2.779
33 HB3 SER 8 2HB SER 8 -0.422 -11.762 2.874
34 HG SER 8 HG SER 8 0.180 -11.600 5.319
35 H GLY 9 H GLY 9 -1.125 -13.725 2.182
36 HA2 GLY 9 1HA GLY 9 0.350 -15.659 0.532
37 HA3 GLY 9 2HA GLY 9 -1.399 -15.507 0.616
38 H GLU 10 H GLU 10 -2.400 -13.675 -0.428
39 HA GLU 10 HA GLU 10 -0.752 -12.210 -2.335
40 HB2 GLU 10 1HB GLU 10 -1.521 -14.349 -3.431
41 HB3 GLU 10 2HB GLU 10 -3.170 -13.765 -3.258
42 HG2 GLU 10 1HG GLU 10 -2.464 -11.735 -4.571
43 HG3 GLU 10 2HG GLU 10 -0.960 -12.587 -4.915
44 H LYS 11 H LYS 11 -1.757 -10.337 -3.181
45 HA LYS 11 HA LYS 11 -4.300 -9.583 -1.911
46 HB2 LYS 11 1HB LYS 11 -1.668 -8.202 -1.780
47 HB3 LYS 11 2HB LYS 11 -3.100 -7.194 -1.944
48 HG2 LYS 11 1HG LYS 11 -4.041 -8.142 0.073
49 HG3 LYS 11 2HG LYS 11 -2.672 -9.247 0.219
50 HD2 LYS 11 1HD LYS 11 -1.158 -7.384 0.536
51 HD3 LYS 11 2HD LYS 11 -2.472 -6.235 0.272
52 HE2 LYS 11 1HE LYS 11 -3.594 -7.509 2.256
53 HE3 LYS 11 2HE LYS 11 -1.944 -8.017 2.612
54 HZ1 LYS 11 3HZ LYS 11 -2.971 -5.237 2.472
55 HZ2 LYS 11 1HZ LYS 11 -1.329 -5.625 2.597
56 HZ3 LYS 11 2HZ LYS 11 -2.394 -6.049 3.840
57 HA PRO 12 HA PRO 12 -5.581 -8.077 -5.827
58 HB2 PRO 12 1HB PRO 12 -6.977 -5.843 -5.171
59 HB3 PRO 12 2HB PRO 12 -7.568 -7.476 -4.843
60 HG2 PRO 12 1HG PRO 12 -6.220 -5.544 -2.996
61 HG3 PRO 12 2HG PRO 12 -7.622 -6.586 -2.695
62 HD2 PRO 12 1HD PRO 12 -5.129 -7.216 -1.846
63 HD3 PRO 12 2HD PRO 12 -6.315 -8.448 -2.321
64 H PHE 13 H PHE 13 -3.758 -5.946 -3.761
65 HA PHE 13 HA PHE 13 -2.504 -4.751 -6.090
66 HB2 PHE 13 1HB PHE 13 -3.878 -3.067 -3.985
67 HB3 PHE 13 2HB PHE 13 -2.822 -2.442 -5.248
68 HD1 PHE 13 HD2 PHE 13 -6.031 -4.167 -4.627
69 HD2 PHE 13 HD1 PHE 13 -3.633 -2.019 -7.412
70 HE1 PHE 13 HE2 PHE 13 -7.962 -3.979 -6.140
71 HE2 PHE 13 HE1 PHE 13 -5.560 -1.827 -8.929
72 HZ PHE 13 HZ PHE 13 -7.728 -2.809 -8.295
73 H LYS 14 H LYS 14 -0.408 -4.991 -5.735
74 HA LYS 14 HA LYS 14 0.657 -4.383 -3.066
75 HB2 LYS 14 1HB LYS 14 2.288 -6.277 -3.393
76 HB3 LYS 14 2HB LYS 14 0.623 -6.764 -3.104
77 HG2 LYS 14 1HG LYS 14 0.299 -7.373 -5.350
78 HG3 LYS 14 2HG LYS 14 1.763 -6.535 -5.871
79 HD2 LYS 14 1HD LYS 14 2.554 -8.675 -5.841
80 HD3 LYS 14 2HD LYS 14 2.888 -8.227 -4.167
81 HE2 LYS 14 1HE LYS 14 1.854 -10.374 -4.142
82 HE3 LYS 14 2HE LYS 14 0.668 -9.209 -3.554
83 HZ1 LYS 14 3HZ LYS 14 0.129 -11.011 -5.418
84 HZ2 LYS 14 1HZ LYS 14 0.641 -9.741 -6.413
85 HZ3 LYS 14 2HZ LYS 14 -0.647 -9.510 -5.341
86 H CYS 15 H CYS 15 3.005 -3.942 -3.086
87 HA CYS 15 HA CYS 15 3.660 -2.090 -5.129
88 HB2 CYS 15 1HB CYS 15 4.450 -1.926 -2.772
89 HB3 CYS 15 2HB CYS 15 5.497 -3.312 -3.060
90 H GLU 16 H GLU 16 5.368 -2.162 -6.650
91 HA GLU 16 HA GLU 16 5.808 -4.835 -7.728
92 HB2 GLU 16 1HB GLU 16 6.113 -3.857 -9.776
93 HB3 GLU 16 2HB GLU 16 5.097 -2.637 -9.020
94 HG2 GLU 16 1HG GLU 16 7.005 -1.271 -8.526
95 HG3 GLU 16 2HG GLU 16 8.102 -2.527 -9.095
96 H GLU 17 H GLU 17 7.500 -2.318 -6.078
97 HA GLU 17 HA GLU 17 10.139 -3.094 -6.832
98 HB2 GLU 17 1HB GLU 17 9.021 -1.370 -4.635
99 HB3 GLU 17 2HB GLU 17 10.738 -1.738 -4.724
100 HG2 GLU 17 1HG GLU 17 10.334 0.387 -5.748
101 HG3 GLU 17 2HG GLU 17 10.796 -0.773 -6.992
102 H CYS 18 H CYS 18 8.461 -3.372 -3.693
103 HA CYS 18 HA CYS 18 10.203 -5.643 -3.043
104 HB2 CYS 18 1HB CYS 18 9.286 -5.275 -0.702
105 HB3 CYS 18 2HB CYS 18 10.304 -3.990 -1.343
106 H GLY 19 H GLY 19 6.784 -4.664 -2.756
107 HA2 GLY 19 1HA GLY 19 5.207 -6.332 -3.786
108 HA3 GLY 19 2HA GLY 19 6.077 -7.532 -2.842
109 H LYS 20 H LYS 20 5.575 -4.450 -1.399
110 HA LYS 20 HA LYS 20 4.423 -5.298 0.914
111 HB2 LYS 20 1HB LYS 20 5.109 -2.886 -0.009
112 HB3 LYS 20 2HB LYS 20 3.365 -2.745 -0.186
113 HG2 LYS 20 1HG LYS 20 3.554 -1.948 1.920
114 HG3 LYS 20 2HG LYS 20 3.435 -3.666 2.308
115 HD2 LYS 20 1HD LYS 20 6.075 -2.293 1.865
116 HD3 LYS 20 2HD LYS 20 5.294 -2.350 3.447
117 HE2 LYS 20 1HE LYS 20 5.254 -4.819 3.291
118 HE3 LYS 20 2HE LYS 20 6.128 -4.711 1.764
119 HZ1 LYS 20 3HZ LYS 20 7.104 -4.441 4.463
120 HZ2 LYS 20 1HZ LYS 20 7.666 -3.241 3.411
121 HZ3 LYS 20 2HZ LYS 20 7.930 -4.872 3.051
122 H GLY 21 H GLY 21 2.174 -4.944 1.735
123 HA2 GLY 21 1HA GLY 21 0.266 -6.000 -0.244
124 HA3 GLY 21 2HA GLY 21 0.151 -6.223 1.496
125 H PHE 22 H PHE 22 -1.551 -4.948 -0.775
126 HA PHE 22 HA PHE 22 -2.499 -2.752 0.890
127 HB2 PHE 22 1HB PHE 22 -1.927 -2.359 -2.053
128 HB3 PHE 22 2HB PHE 22 -2.553 -1.156 -0.930
129 HD1 PHE 22 HD1 PHE 22 -1.007 -0.754 1.186
130 HD2 PHE 22 HD2 PHE 22 0.308 -2.305 -2.553
131 HE1 PHE 22 HE1 PHE 22 1.290 -0.037 1.700
132 HE2 PHE 22 HE2 PHE 22 2.607 -1.592 -2.044
133 HZ PHE 22 HZ PHE 22 3.101 -0.457 0.085
134 H TYR 23 H TYR 23 -4.576 -1.810 -0.144
135 HA TYR 23 HA TYR 23 -6.138 -4.027 -1.297
136 HB2 TYR 23 1HB TYR 23 -7.073 -1.958 0.702
137 HB3 TYR 23 2HB TYR 23 -8.080 -3.206 -0.023
138 HD1 TYR 23 HD1 TYR 23 -6.412 -5.584 0.125
139 HD2 TYR 23 HD2 TYR 23 -6.909 -2.451 2.961
140 HE1 TYR 23 HE1 TYR 23 -5.799 -7.133 1.935
141 HE2 TYR 23 HE2 TYR 23 -6.296 -3.991 4.778
142 HH TYR 23 HH TYR 23 -4.813 -6.913 4.291
143 H THR 24 H THR 24 -5.422 -0.625 -1.287
144 HA THR 24 HA THR 24 -7.167 -0.282 -3.639
145 HB THR 24 HB THR 24 -7.396 2.086 -3.059
146 HG1 THR 24 HG1 THR 24 -5.310 1.957 -1.754
147 HG21 THR 24 3HG2 THR 24 -8.386 1.449 -0.569
148 HG22 THR 24 1HG2 THR 24 -8.374 -0.106 -1.400
149 HG23 THR 24 2HG2 THR 24 -9.245 1.259 -2.098
150 H ASN 25 H ASN 25 -6.402 1.106 -5.309
151 HA ASN 25 HA ASN 25 -3.689 0.769 -5.951
152 HB2 ASN 25 1HB ASN 25 -4.279 2.638 -7.690
153 HB3 ASN 25 2HB ASN 25 -5.031 1.051 -7.821
154 HD21 ASN 25 1HD2 ASN 25 -7.098 1.139 -8.261
155 HD22 ASN 25 2HD2 ASN 25 -8.205 2.361 -7.744
156 H SER 26 H SER 26 -5.459 3.696 -4.955
157 HA SER 26 HA SER 26 -3.522 5.586 -5.007
158 HB2 SER 26 1HB SER 26 -5.816 6.029 -4.246
159 HB3 SER 26 2HB SER 26 -5.489 5.168 -2.742
160 HG SER 26 HG SER 26 -3.608 6.868 -2.787
161 H GLN 27 H GLN 27 -4.062 3.357 -2.280
162 HA GLN 27 HA GLN 27 -1.909 4.210 -0.713
163 HB2 GLN 27 1HB GLN 27 -3.534 1.708 -0.862
164 HB3 GLN 27 2HB GLN 27 -2.072 1.708 0.117
165 HG2 GLN 27 1HG GLN 27 -4.172 2.224 1.356
166 HG3 GLN 27 2HG GLN 27 -2.901 3.435 1.511
167 HE21 GLN 27 1HE2 GLN 27 -6.117 3.000 1.028
168 HE22 GLN 27 2HE2 GLN 27 -6.505 4.506 0.275
169 H CYS 28 H CYS 28 -2.068 1.264 -2.725
170 HA CYS 28 HA CYS 28 0.463 0.349 -2.554
171 HB2 CYS 28 1HB CYS 28 -1.136 -0.805 -3.921
172 HB3 CYS 28 2HB CYS 28 -1.257 0.557 -5.029
173 HG CYS 28 HG CYS 28 1.766 0.049 -5.361
174 H TYR 29 H TYR 29 -0.591 3.118 -4.465
175 HA TYR 29 HA TYR 29 1.947 3.556 -5.698
176 HB2 TYR 29 1HB TYR 29 -0.375 4.351 -6.492
177 HB3 TYR 29 2HB TYR 29 -0.168 5.667 -5.341
178 HD1 TYR 29 HD2 TYR 29 2.355 6.736 -5.554
179 HD2 TYR 29 HD1 TYR 29 0.118 4.893 -8.670
180 HE1 TYR 29 HE2 TYR 29 3.651 7.996 -7.222
181 HE2 TYR 29 HE1 TYR 29 1.409 6.147 -10.346
182 HH TYR 29 HH TYR 29 3.978 8.404 -9.375
183 H SER 30 H SER 30 0.230 5.050 -2.974
184 HA SER 30 HA SER 30 1.937 7.084 -2.314
185 HB2 SER 30 1HB SER 30 0.401 5.222 -0.495
186 HB3 SER 30 2HB SER 30 1.227 6.671 0.079
187 HG SER 30 HG SER 30 -0.940 6.491 -1.733
188 H HIS 31 H HIS 31 2.203 3.691 -1.286
189 HA HIS 31 HA HIS 31 4.568 4.014 0.214
190 HB2 HIS 31 1HB HIS 31 3.505 2.031 0.718
191 HB3 HIS 31 2HB HIS 31 3.104 1.695 -0.963
192 HD1 HIS 31 HD1 HIS 31 5.736 1.160 1.602
193 HD2 HIS 31 HD2 HIS 31 5.152 0.422 -2.445
194 HE1 HIS 31 HE1 HIS 31 7.550 -0.452 0.944
195 H GLN 32 H GLN 32 4.057 2.853 -3.112
196 HA GLN 32 HA GLN 32 6.528 2.190 -3.936
197 HB2 GLN 32 1HB GLN 32 4.268 2.598 -5.257
198 HB3 GLN 32 2HB GLN 32 5.067 4.101 -5.701
199 HG2 GLN 32 1HG GLN 32 6.936 2.851 -6.627
200 HG3 GLN 32 2HG GLN 32 6.169 1.336 -6.153
201 HE21 GLN 32 1HE2 GLN 32 5.387 0.341 -7.857
202 HE22 GLN 32 2HE2 GLN 32 4.561 1.078 -9.183
203 H ARG 33 H ARG 33 5.348 5.555 -4.116
204 HA ARG 33 HA ARG 33 7.542 6.878 -4.945
205 HB2 ARG 33 1HB ARG 33 5.468 7.583 -2.909
206 HB3 ARG 33 2HB ARG 33 6.827 8.671 -3.153
207 HG2 ARG 33 1HG ARG 33 6.230 8.654 -5.610
208 HG3 ARG 33 2HG ARG 33 4.732 7.849 -5.138
209 HD2 ARG 33 1HD ARG 33 4.025 10.015 -5.085
210 HD3 ARG 33 2HD ARG 33 4.613 9.862 -3.430
211 HE ARG 33 HE ARG 33 6.784 10.747 -4.780
212 HH11 ARG 33 1HH1 ARG 33 3.492 11.856 -4.544
213 HH12 ARG 33 2HH1 ARG 33 3.899 13.523 -4.782
214 HH21 ARG 33 1HH2 ARG 33 7.333 12.938 -5.094
215 HH22 ARG 33 2HH2 ARG 33 6.084 14.138 -5.096
216 H SER 34 H SER 34 6.964 5.872 -1.585
217 HA SER 34 HA SER 34 9.067 6.919 -0.256
218 HB2 SER 34 1HB SER 34 7.405 5.411 0.771
219 HB3 SER 34 2HB SER 34 8.167 4.036 -0.028
220 HG SER 34 HG SER 34 8.785 5.023 2.302
221 H HIS 35 H HIS 35 9.208 3.937 -2.192
222 HA HIS 35 HA HIS 35 11.799 3.173 -1.819
223 HB2 HIS 35 1HB HIS 35 9.994 3.061 -4.205
224 HB3 HIS 35 2HB HIS 35 11.669 2.543 -4.368
225 HD1 HIS 35 HD1 HIS 35 12.233 0.871 -2.030
226 HD2 HIS 35 HD2 HIS 35 8.484 0.867 -3.821
227 HE1 HIS 35 HE1 HIS 35 11.169 -1.306 -1.357
228 H SER 36 H SER 36 13.508 4.487 -1.726
229 HA SER 36 HA SER 36 13.807 6.927 -3.037
230 HB2 SER 36 1HB SER 36 15.189 6.444 -1.139
231 HB3 SER 36 2HB SER 36 15.872 5.020 -1.924
232 HG SER 36 HG SER 36 17.129 6.265 -3.135
233 H GLY 37 H GLY 37 14.758 7.570 -4.931
234 HA2 GLY 37 1HA GLY 37 15.526 5.404 -6.791
235 HA3 GLY 37 2HA GLY 37 14.597 6.807 -7.297
236 H GLU 38 H GLU 38 17.403 6.732 -5.145
237 HA GLU 38 HA GLU 38 18.690 8.751 -6.780
238 HB2 GLU 38 1HB GLU 38 19.510 7.464 -4.171
239 HB3 GLU 38 2HB GLU 38 20.398 8.757 -4.966
240 HG2 GLU 38 1HG GLU 38 18.406 10.200 -4.768
241 HG3 GLU 38 2HG GLU 38 17.595 8.910 -3.881
242 H LYS 39 H LYS 39 20.982 8.552 -7.372
243 HA LYS 39 HA LYS 39 21.976 5.833 -7.708
244 HB2 LYS 39 1HB LYS 39 20.530 6.633 -9.728
245 HB3 LYS 39 2HB LYS 39 21.934 7.618 -10.118
246 HG2 LYS 39 1HG LYS 39 22.114 5.623 -11.375
247 HG3 LYS 39 2HG LYS 39 23.302 5.517 -10.074
248 HD2 LYS 39 1HD LYS 39 22.365 3.433 -9.928
249 HD3 LYS 39 2HD LYS 39 21.311 4.318 -8.822
250 HE2 LYS 39 1HE LYS 39 19.922 3.004 -10.246
251 HE3 LYS 39 2HE LYS 39 19.750 4.687 -10.742
252 HZ1 LYS 39 3HZ LYS 39 20.571 4.240 -12.749
253 HZ2 LYS 39 1HZ LYS 39 20.327 2.606 -12.383
254 HZ3 LYS 39 2HZ LYS 39 21.845 3.310 -12.138
255 HA PRO 40 HA PRO 40 25.727 7.953 -6.715
256 HB2 PRO 40 1HB PRO 40 27.436 5.910 -7.240
257 HB3 PRO 40 2HB PRO 40 26.418 5.963 -5.796
258 HG2 PRO 40 1HG PRO 40 25.991 4.480 -8.361
259 HG3 PRO 40 2HG PRO 40 25.740 3.928 -6.695
260 HD2 PRO 40 1HD PRO 40 23.704 4.750 -8.279
261 HD3 PRO 40 2HD PRO 40 23.699 4.983 -6.520
262 H SER 41 H SER 41 27.491 8.904 -7.744
263 HA SER 41 HA SER 41 27.250 9.142 -10.608
264 HB2 SER 41 1HB SER 41 29.047 10.835 -10.374
265 HB3 SER 41 2HB SER 41 27.697 11.140 -9.281
266 HG SER 41 HG SER 41 30.110 9.820 -8.574
267 H GLY 42 H GLY 42 29.531 7.755 -8.307
268 HA2 GLY 42 1HA GLY 42 31.250 6.874 -10.515
269 HA3 GLY 42 2HA GLY 42 31.667 6.839 -8.809
270 HA PRO 43 HA PRO 43 30.810 2.524 -8.898
271 HB2 PRO 43 1HB PRO 43 30.577 2.104 -6.226
272 HB3 PRO 43 2HB PRO 43 32.130 2.381 -7.023
273 HG2 PRO 43 1HG PRO 43 30.411 4.304 -5.505
274 HG3 PRO 43 2HG PRO 43 32.171 4.093 -5.451
275 HD2 PRO 43 1HD PRO 43 30.984 6.077 -6.861
276 HD3 PRO 43 2HD PRO 43 32.503 5.315 -7.376
277 H SER 44 H SER 44 29.009 1.357 -9.183
278 HA SER 44 HA SER 44 26.474 2.470 -8.232
279 HB2 SER 44 1HB SER 44 25.465 0.842 -9.865
280 HB3 SER 44 2HB SER 44 26.513 2.055 -10.600
281 HG SER 44 HG SER 44 27.651 0.469 -11.344
282 H SER 45 H SER 45 25.444 1.604 -6.565
283 HA SER 45 HA SER 45 26.366 -0.951 -5.497
284 HB2 SER 45 1HB SER 45 26.246 0.740 -3.834
285 HB3 SER 45 2HB SER 45 24.649 1.261 -4.370
286 HG SER 45 HG SER 45 25.304 -0.645 -2.583
287 H GLY 46 H GLY 46 25.046 -2.723 -5.163
288 HA2 GLY 46 1HA GLY 46 22.282 -2.847 -5.439
289 HA3 GLY 46 2HA GLY 46 22.956 -3.115 -7.039
Start of MODEL 6
1 H1 GLY 1 H GLY 1 18.109 -9.573 -6.326
2 HA2 GLY 1 1HA GLY 1 15.850 -10.946 -5.336
3 HA3 GLY 1 2HA GLY 1 17.373 -11.685 -5.807
4 H SER 2 H SER 2 16.285 -12.950 -3.835
5 HA SER 2 HA SER 2 18.078 -12.614 -1.663
6 HB2 SER 2 1HB SER 2 16.407 -12.120 0.099
7 HB3 SER 2 2HB SER 2 16.572 -10.793 -1.051
8 HG SER 2 HG SER 2 14.710 -12.187 -2.089
9 H SER 3 H SER 3 17.296 -14.082 0.257
10 HA SER 3 HA SER 3 15.870 -16.422 -0.800
11 HB2 SER 3 1HB SER 3 18.303 -16.828 -1.021
12 HB3 SER 3 2HB SER 3 18.493 -16.549 0.711
13 HG SER 3 HG SER 3 18.316 -18.739 0.409
14 H GLY 4 H GLY 4 15.197 -17.944 0.923
15 HA2 GLY 4 1HA GLY 4 14.374 -18.445 3.029
16 HA3 GLY 4 2HA GLY 4 15.186 -17.014 3.647
17 H SER 5 H SER 5 12.232 -18.393 3.052
18 HA SER 5 HA SER 5 10.085 -17.643 3.121
19 HB2 SER 5 1HB SER 5 11.612 -15.540 4.574
20 HB3 SER 5 2HB SER 5 9.953 -15.161 4.110
21 HG SER 5 HG SER 5 10.156 -16.163 6.200
22 H SER 6 H SER 6 11.346 -17.417 0.667
23 HA SER 6 HA SER 6 11.142 -14.871 -0.525
24 HB2 SER 6 1HB SER 6 10.969 -17.612 -1.801
25 HB3 SER 6 2HB SER 6 11.211 -16.098 -2.673
26 HG SER 6 HG SER 6 13.079 -17.595 -1.757
27 H GLY 7 H GLY 7 8.881 -17.608 -0.400
28 HA2 GLY 7 1HA GLY 7 6.867 -16.472 -1.998
29 HA3 GLY 7 2HA GLY 7 6.624 -17.731 -0.796
30 H SER 8 H SER 8 4.833 -15.575 -1.411
31 HA SER 8 HA SER 8 4.493 -14.541 1.274
32 HB2 SER 8 1HB SER 8 4.383 -12.209 0.641
33 HB3 SER 8 2HB SER 8 5.941 -12.854 0.124
34 HG SER 8 HG SER 8 4.804 -13.210 -1.968
35 H GLY 9 H GLY 9 2.390 -13.404 1.520
36 HA2 GLY 9 1HA GLY 9 0.305 -14.920 0.366
37 HA3 GLY 9 2HA GLY 9 0.102 -13.464 1.328
38 H GLU 10 H GLU 10 -1.667 -13.785 -0.619
39 HA GLU 10 HA GLU 10 -0.715 -12.127 -2.857
40 HB2 GLU 10 1HB GLU 10 -2.100 -13.246 -4.273
41 HB3 GLU 10 2HB GLU 10 -1.899 -14.515 -3.074
42 HG2 GLU 10 1HG GLU 10 -3.993 -13.951 -2.044
43 HG3 GLU 10 2HG GLU 10 -4.178 -12.551 -3.099
44 H LYS 11 H LYS 11 -2.101 -10.446 -3.645
45 HA LYS 11 HA LYS 11 -4.338 -9.609 -2.009
46 HB2 LYS 11 1HB LYS 11 -1.682 -8.281 -1.924
47 HB3 LYS 11 2HB LYS 11 -3.094 -7.235 -1.986
48 HG2 LYS 11 1HG LYS 11 -3.930 -8.065 0.048
49 HG3 LYS 11 2HG LYS 11 -2.826 -9.442 0.030
50 HD2 LYS 11 1HD LYS 11 -0.930 -7.955 0.354
51 HD3 LYS 11 2HD LYS 11 -1.999 -6.551 0.297
52 HE2 LYS 11 1HE LYS 11 -1.761 -6.843 2.566
53 HE3 LYS 11 2HE LYS 11 -3.226 -7.772 2.253
54 HZ1 LYS 11 3HZ LYS 11 -1.972 -9.199 3.536
55 HZ2 LYS 11 1HZ LYS 11 -0.506 -8.745 2.825
56 HZ3 LYS 11 2HZ LYS 11 -1.591 -9.723 1.973
57 HA PRO 12 HA PRO 12 -5.800 -7.848 -5.752
58 HB2 PRO 12 1HB PRO 12 -7.075 -5.606 -4.904
59 HB3 PRO 12 2HB PRO 12 -7.702 -7.233 -4.619
60 HG2 PRO 12 1HG PRO 12 -6.179 -5.440 -2.769
61 HG3 PRO 12 2HG PRO 12 -7.596 -6.451 -2.432
62 HD2 PRO 12 1HD PRO 12 -5.080 -7.201 -1.769
63 HD3 PRO 12 2HD PRO 12 -6.335 -8.370 -2.229
64 H PHE 13 H PHE 13 -3.685 -5.985 -3.747
65 HA PHE 13 HA PHE 13 -2.472 -4.754 -6.035
66 HB2 PHE 13 1HB PHE 13 -3.791 -2.951 -3.995
67 HB3 PHE 13 2HB PHE 13 -2.820 -2.433 -5.369
68 HD1 PHE 13 HD2 PHE 13 -6.004 -4.000 -4.374
69 HD2 PHE 13 HD1 PHE 13 -3.753 -2.250 -7.534
70 HE1 PHE 13 HE2 PHE 13 -8.031 -3.912 -5.766
71 HE2 PHE 13 HE1 PHE 13 -5.776 -2.159 -8.930
72 HZ PHE 13 HZ PHE 13 -7.919 -2.992 -8.047
73 H LYS 14 H LYS 14 -0.379 -4.923 -5.634
74 HA LYS 14 HA LYS 14 0.609 -4.308 -2.937
75 HB2 LYS 14 1HB LYS 14 2.290 -6.177 -3.259
76 HB3 LYS 14 2HB LYS 14 0.632 -6.677 -2.954
77 HG2 LYS 14 1HG LYS 14 1.116 -8.072 -4.672
78 HG3 LYS 14 2HG LYS 14 0.539 -6.686 -5.601
79 HD2 LYS 14 1HD LYS 14 2.884 -5.920 -5.829
80 HD3 LYS 14 2HD LYS 14 3.413 -7.384 -4.997
81 HE2 LYS 14 1HE LYS 14 1.741 -7.446 -7.497
82 HE3 LYS 14 2HE LYS 14 3.504 -7.418 -7.533
83 HZ1 LYS 14 3HZ LYS 14 1.846 -9.484 -6.190
84 HZ2 LYS 14 1HZ LYS 14 3.536 -9.461 -6.258
85 HZ3 LYS 14 2HZ LYS 14 2.636 -9.672 -7.674
86 H CYS 15 H CYS 15 2.957 -3.846 -2.900
87 HA CYS 15 HA CYS 15 3.638 -1.950 -4.879
88 HB2 CYS 15 1HB CYS 15 4.426 -1.870 -2.521
89 HB3 CYS 15 2HB CYS 15 5.461 -3.256 -2.849
90 H GLU 16 H GLU 16 5.326 -1.975 -6.415
91 HA GLU 16 HA GLU 16 5.780 -4.615 -7.569
92 HB2 GLU 16 1HB GLU 16 6.051 -3.582 -9.595
93 HB3 GLU 16 2HB GLU 16 5.028 -2.395 -8.798
94 HG2 GLU 16 1HG GLU 16 7.139 -1.194 -8.132
95 HG3 GLU 16 2HG GLU 16 7.999 -2.283 -9.218
96 H GLU 17 H GLU 17 7.459 -2.117 -5.876
97 HA GLU 17 HA GLU 17 10.099 -2.828 -6.677
98 HB2 GLU 17 1HB GLU 17 8.981 -1.210 -4.400
99 HB3 GLU 17 2HB GLU 17 10.703 -1.540 -4.530
100 HG2 GLU 17 1HG GLU 17 8.965 0.028 -6.404
101 HG3 GLU 17 2HG GLU 17 10.368 0.577 -5.490
102 H CYS 18 H CYS 18 8.415 -3.289 -3.563
103 HA CYS 18 HA CYS 18 10.209 -5.551 -3.016
104 HB2 CYS 18 1HB CYS 18 9.380 -5.281 -0.647
105 HB3 CYS 18 2HB CYS 18 10.315 -3.926 -1.271
106 H GLY 19 H GLY 19 6.789 -4.598 -2.685
107 HA2 GLY 19 1HA GLY 19 5.285 -6.339 -3.790
108 HA3 GLY 19 2HA GLY 19 6.086 -7.462 -2.700
109 H LYS 20 H LYS 20 5.760 -4.486 -1.218
110 HA LYS 20 HA LYS 20 4.306 -5.185 0.923
111 HB2 LYS 20 1HB LYS 20 5.297 -2.881 0.263
112 HB3 LYS 20 2HB LYS 20 3.696 -2.549 -0.385
113 HG2 LYS 20 1HG LYS 20 3.419 -1.702 1.696
114 HG3 LYS 20 2HG LYS 20 2.961 -3.374 2.024
115 HD2 LYS 20 1HD LYS 20 5.823 -2.569 2.283
116 HD3 LYS 20 2HD LYS 20 4.687 -2.132 3.561
117 HE2 LYS 20 1HE LYS 20 5.343 -4.166 4.344
118 HE3 LYS 20 2HE LYS 20 4.013 -4.685 3.310
119 HZ1 LYS 20 3HZ LYS 20 6.819 -5.212 3.069
120 HZ2 LYS 20 1HZ LYS 20 6.149 -4.623 1.631
121 HZ3 LYS 20 2HZ LYS 20 5.507 -6.009 2.358
122 H GLY 21 H GLY 21 2.190 -5.443 1.539
123 HA2 GLY 21 1HA GLY 21 0.313 -5.955 -0.629
124 HA3 GLY 21 2HA GLY 21 0.102 -6.396 1.059
125 H PHE 22 H PHE 22 -1.693 -5.008 -0.865
126 HA PHE 22 HA PHE 22 -2.498 -2.879 0.933
127 HB2 PHE 22 1HB PHE 22 -1.980 -2.318 -1.995
128 HB3 PHE 22 2HB PHE 22 -2.651 -1.185 -0.826
129 HD1 PHE 22 HD1 PHE 22 -1.184 -0.592 1.197
130 HD2 PHE 22 HD2 PHE 22 0.306 -2.419 -2.347
131 HE1 PHE 22 HE1 PHE 22 1.086 0.168 1.764
132 HE2 PHE 22 HE2 PHE 22 2.579 -1.663 -1.785
133 HZ PHE 22 HZ PHE 22 2.972 -0.369 0.273
134 H TYR 23 H TYR 23 -4.542 -1.752 -0.243
135 HA TYR 23 HA TYR 23 -6.204 -3.918 -1.342
136 HB2 TYR 23 1HB TYR 23 -7.027 -1.906 0.761
137 HB3 TYR 23 2HB TYR 23 -8.102 -3.071 -0.003
138 HD1 TYR 23 HD1 TYR 23 -6.479 -5.510 -0.014
139 HD2 TYR 23 HD2 TYR 23 -6.902 -2.533 2.996
140 HE1 TYR 23 HE1 TYR 23 -5.901 -7.173 1.704
141 HE2 TYR 23 HE2 TYR 23 -6.324 -4.187 4.722
142 HH TYR 23 HH TYR 23 -6.519 -6.866 4.840
143 H THR 24 H THR 24 -5.496 -0.499 -1.150
144 HA THR 24 HA THR 24 -7.267 -0.036 -3.462
145 HB THR 24 HB THR 24 -7.265 2.367 -2.781
146 HG1 THR 24 HG1 THR 24 -5.774 2.850 -1.355
147 HG21 THR 24 3HG2 THR 24 -8.261 0.842 -0.422
148 HG22 THR 24 1HG2 THR 24 -8.934 0.473 -2.010
149 HG23 THR 24 2HG2 THR 24 -9.051 2.109 -1.361
150 H ASN 25 H ASN 25 -6.375 0.647 -5.311
151 HA ASN 25 HA ASN 25 -3.732 0.484 -5.926
152 HB2 ASN 25 1HB ASN 25 -4.263 2.160 -7.796
153 HB3 ASN 25 2HB ASN 25 -5.234 0.692 -7.732
154 HD21 ASN 25 1HD2 ASN 25 -7.386 0.815 -7.170
155 HD22 ASN 25 2HD2 ASN 25 -8.245 2.312 -7.092
156 H SER 26 H SER 26 -5.429 3.515 -5.119
157 HA SER 26 HA SER 26 -3.386 5.310 -5.258
158 HB2 SER 26 1HB SER 26 -5.780 5.787 -4.618
159 HB3 SER 26 2HB SER 26 -5.375 5.273 -2.981
160 HG SER 26 HG SER 26 -3.919 7.287 -4.327
161 H GLN 27 H GLN 27 -4.137 3.222 -2.483
162 HA GLN 27 HA GLN 27 -2.104 4.138 -0.788
163 HB2 GLN 27 1HB GLN 27 -3.748 1.656 -0.960
164 HB3 GLN 27 2HB GLN 27 -2.340 1.648 0.095
165 HG2 GLN 27 1HG GLN 27 -4.262 3.905 0.307
166 HG3 GLN 27 2HG GLN 27 -4.713 2.338 0.978
167 HE21 GLN 27 1HE2 GLN 27 -3.022 5.203 1.480
168 HE22 GLN 27 2HE2 GLN 27 -2.195 4.758 2.930
169 H CYS 28 H CYS 28 -2.141 1.248 -2.878
170 HA CYS 28 HA CYS 28 0.365 0.274 -2.444
171 HB2 CYS 28 1HB CYS 28 -1.145 -0.882 -3.912
172 HB3 CYS 28 2HB CYS 28 -1.152 0.461 -5.049
173 HG CYS 28 HG CYS 28 1.794 -1.094 -4.409
174 H TYR 29 H TYR 29 -0.499 2.861 -4.720
175 HA TYR 29 HA TYR 29 2.138 3.306 -5.645
176 HB2 TYR 29 1HB TYR 29 -0.135 4.056 -6.660
177 HB3 TYR 29 2HB TYR 29 0.036 5.451 -5.601
178 HD1 TYR 29 HD2 TYR 29 1.808 7.090 -5.978
179 HD2 TYR 29 HD1 TYR 29 1.307 3.760 -8.579
180 HE1 TYR 29 HE2 TYR 29 3.246 8.184 -7.647
181 HE2 TYR 29 HE1 TYR 29 2.744 4.845 -10.255
182 HH TYR 29 HH TYR 29 3.432 7.216 -10.832
183 H SER 30 H SER 30 0.171 4.887 -3.152
184 HA SER 30 HA SER 30 1.741 6.991 -2.427
185 HB2 SER 30 1HB SER 30 -0.480 6.047 -1.389
186 HB3 SER 30 2HB SER 30 0.615 5.267 -0.248
187 HG SER 30 HG SER 30 -0.269 7.602 0.054
188 H HIS 31 H HIS 31 2.154 3.618 -1.414
189 HA HIS 31 HA HIS 31 4.424 4.132 0.227
190 HB2 HIS 31 1HB HIS 31 3.431 2.150 0.837
191 HB3 HIS 31 2HB HIS 31 3.047 1.706 -0.823
192 HD1 HIS 31 HD1 HIS 31 5.611 1.299 1.807
193 HD2 HIS 31 HD2 HIS 31 5.198 0.482 -2.245
194 HE1 HIS 31 HE1 HIS 31 7.482 -0.286 1.247
195 H GLN 32 H GLN 32 4.046 2.784 -3.044
196 HA GLN 32 HA GLN 32 6.532 2.107 -3.773
197 HB2 GLN 32 1HB GLN 32 4.321 2.488 -5.180
198 HB3 GLN 32 2HB GLN 32 5.141 3.975 -5.637
199 HG2 GLN 32 1HG GLN 32 7.059 2.654 -6.418
200 HG3 GLN 32 2HG GLN 32 6.186 1.178 -6.010
201 HE21 GLN 32 1HE2 GLN 32 4.478 0.517 -7.285
202 HE22 GLN 32 2HE2 GLN 32 4.163 1.193 -8.843
203 H ARG 33 H ARG 33 5.363 5.470 -3.788
204 HA ARG 33 HA ARG 33 7.465 6.863 -4.716
205 HB2 ARG 33 1HB ARG 33 5.735 7.439 -2.320
206 HB3 ARG 33 2HB ARG 33 6.944 8.585 -2.884
207 HG2 ARG 33 1HG ARG 33 5.833 8.639 -5.080
208 HG3 ARG 33 2HG ARG 33 4.594 7.549 -4.455
209 HD2 ARG 33 1HD ARG 33 5.223 10.161 -3.116
210 HD3 ARG 33 2HD ARG 33 4.091 10.062 -4.464
211 HE ARG 33 HE ARG 33 3.564 8.239 -2.283
212 HH11 ARG 33 1HH1 ARG 33 2.945 11.370 -3.674
213 HH12 ARG 33 2HH1 ARG 33 1.447 11.592 -2.831
214 HH21 ARG 33 1HH2 ARG 33 1.594 8.520 -1.168
215 HH22 ARG 33 2HH2 ARG 33 0.681 9.971 -1.405
216 H SER 34 H SER 34 7.227 5.614 -1.395
217 HA SER 34 HA SER 34 9.455 6.563 -0.210
218 HB2 SER 34 1HB SER 34 7.972 5.008 0.927
219 HB3 SER 34 2HB SER 34 8.486 3.696 -0.133
220 HG SER 34 HG SER 34 9.833 4.910 1.992
221 H HIS 35 H HIS 35 9.397 3.773 -2.413
222 HA HIS 35 HA HIS 35 12.134 3.196 -2.333
223 HB2 HIS 35 1HB HIS 35 10.060 2.737 -4.478
224 HB3 HIS 35 2HB HIS 35 11.711 2.133 -4.598
225 HD1 HIS 35 HD1 HIS 35 12.406 0.581 -2.393
226 HD2 HIS 35 HD2 HIS 35 8.377 0.965 -3.332
227 HE1 HIS 35 HE1 HIS 35 11.262 -1.344 -1.248
228 H SER 36 H SER 36 13.848 3.739 -3.702
229 HA SER 36 HA SER 36 13.656 6.416 -4.820
230 HB2 SER 36 1HB SER 36 16.068 4.608 -4.536
231 HB3 SER 36 2HB SER 36 16.095 6.317 -4.967
232 HG SER 36 HG SER 36 14.807 6.390 -2.805
233 H GLY 37 H GLY 37 14.279 6.956 -6.950
234 HA2 GLY 37 1HA GLY 37 14.442 4.708 -8.844
235 HA3 GLY 37 2HA GLY 37 13.245 5.970 -9.093
236 H GLU 38 H GLU 38 14.689 5.775 -11.181
237 HA GLU 38 HA GLU 38 16.389 8.123 -11.143
238 HB2 GLU 38 1HB GLU 38 18.255 6.954 -12.299
239 HB3 GLU 38 2HB GLU 38 18.024 6.428 -10.638
240 HG2 GLU 38 1HG GLU 38 16.645 4.518 -11.619
241 HG3 GLU 38 2HG GLU 38 17.352 4.973 -13.168
242 H LYS 39 H LYS 39 16.332 9.224 -13.033
243 HA LYS 39 HA LYS 39 15.055 7.906 -15.337
244 HB2 LYS 39 1HB LYS 39 14.560 10.677 -14.245
245 HB3 LYS 39 2HB LYS 39 14.047 10.170 -15.849
246 HG2 LYS 39 1HG LYS 39 12.135 9.793 -14.670
247 HG3 LYS 39 2HG LYS 39 12.910 8.215 -14.514
248 HD2 LYS 39 1HD LYS 39 12.359 8.599 -12.327
249 HD3 LYS 39 2HD LYS 39 13.963 9.336 -12.366
250 HE2 LYS 39 1HE LYS 39 13.100 11.497 -12.407
251 HE3 LYS 39 2HE LYS 39 11.518 10.959 -12.967
252 HZ1 LYS 39 3HZ LYS 39 11.011 11.278 -10.807
253 HZ2 LYS 39 1HZ LYS 39 12.599 11.053 -10.267
254 HZ3 LYS 39 2HZ LYS 39 11.633 9.714 -10.635
255 HA PRO 40 HA PRO 40 18.410 9.319 -17.789
256 HB2 PRO 40 1HB PRO 40 17.182 9.749 -20.172
257 HB3 PRO 40 2HB PRO 40 17.487 8.132 -19.527
258 HG2 PRO 40 1HG PRO 40 14.970 9.752 -19.468
259 HG3 PRO 40 2HG PRO 40 15.182 8.026 -19.816
260 HD2 PRO 40 1HD PRO 40 14.348 8.935 -17.405
261 HD3 PRO 40 2HD PRO 40 15.329 7.466 -17.584
262 H SER 41 H SER 41 16.019 11.352 -16.752
263 HA SER 41 HA SER 41 15.971 13.617 -18.223
264 HB2 SER 41 1HB SER 41 16.355 13.479 -15.222
265 HB3 SER 41 2HB SER 41 15.787 14.895 -16.108
266 HG SER 41 HG SER 41 14.357 12.865 -15.201
267 H GLY 42 H GLY 42 18.448 13.057 -15.708
268 HA2 GLY 42 1HA GLY 42 20.617 13.867 -17.314
269 HA3 GLY 42 2HA GLY 42 20.058 15.247 -16.381
270 HA PRO 43 HA PRO 43 23.024 12.464 -13.935
271 HB2 PRO 43 1HB PRO 43 25.163 14.136 -13.919
272 HB3 PRO 43 2HB PRO 43 24.909 12.913 -15.169
273 HG2 PRO 43 1HG PRO 43 24.322 15.847 -15.244
274 HG3 PRO 43 2HG PRO 43 25.052 14.820 -16.492
275 HD2 PRO 43 1HD PRO 43 22.449 15.563 -16.556
276 HD3 PRO 43 2HD PRO 43 23.013 14.004 -17.191
277 H SER 44 H SER 44 21.369 15.303 -13.726
278 HA SER 44 HA SER 44 22.501 16.328 -11.283
279 HB2 SER 44 1HB SER 44 20.557 17.873 -11.321
280 HB3 SER 44 2HB SER 44 21.448 17.874 -12.843
281 HG SER 44 HG SER 44 18.871 17.092 -12.313
282 H SER 45 H SER 45 22.048 13.743 -10.781
283 HA SER 45 HA SER 45 19.641 13.756 -9.079
284 HB2 SER 45 1HB SER 45 20.847 11.532 -10.714
285 HB3 SER 45 2HB SER 45 19.788 11.195 -9.345
286 HG SER 45 HG SER 45 19.186 12.594 -11.729
287 H GLY 46 H GLY 46 20.907 14.619 -7.355
288 HA2 GLY 46 1HA GLY 46 21.993 12.642 -5.642
289 HA3 GLY 46 2HA GLY 46 23.293 13.568 -6.378
Start of MODEL 7
1 H1 GLY 1 H GLY 1 17.609 -14.193 2.545
2 HA2 GLY 1 1HA GLY 1 15.137 -13.265 2.642
3 HA3 GLY 1 2HA GLY 1 14.850 -14.764 1.771
4 H SER 2 H SER 2 13.471 -14.667 3.953
5 HA SER 2 HA SER 2 14.877 -16.470 5.785
6 HB2 SER 2 1HB SER 2 14.144 -15.313 7.745
7 HB3 SER 2 2HB SER 2 14.885 -14.104 6.696
8 HG SER 2 HG SER 2 12.544 -13.890 5.931
9 H SER 3 H SER 3 13.462 -17.805 7.061
10 HA SER 3 HA SER 3 11.294 -18.839 5.602
11 HB2 SER 3 1HB SER 3 12.566 -20.217 7.168
12 HB3 SER 3 2HB SER 3 12.010 -19.228 8.518
13 HG SER 3 HG SER 3 9.964 -20.003 8.244
14 H GLY 4 H GLY 4 9.047 -18.911 6.150
15 HA2 GLY 4 1HA GLY 4 7.054 -18.078 6.981
16 HA3 GLY 4 2HA GLY 4 7.977 -17.111 8.122
17 H SER 5 H SER 5 5.813 -15.960 7.052
18 HA SER 5 HA SER 5 6.979 -13.815 5.480
19 HB2 SER 5 1HB SER 5 5.946 -15.658 3.942
20 HB3 SER 5 2HB SER 5 4.405 -14.977 4.461
21 HG SER 5 HG SER 5 4.752 -13.293 3.249
22 H SER 6 H SER 6 5.390 -11.993 5.206
23 HA SER 6 HA SER 6 3.758 -11.782 7.643
24 HB2 SER 6 1HB SER 6 5.697 -10.169 7.246
25 HB3 SER 6 2HB SER 6 4.723 -9.478 5.948
26 HG SER 6 HG SER 6 3.422 -8.599 7.376
27 H GLY 7 H GLY 7 1.939 -12.830 6.690
28 HA2 GLY 7 1HA GLY 7 -0.264 -11.760 6.049
29 HA3 GLY 7 2HA GLY 7 0.587 -11.238 4.603
30 H SER 8 H SER 8 -1.154 -13.757 6.110
31 HA SER 8 HA SER 8 -0.303 -15.907 4.447
32 HB2 SER 8 1HB SER 8 -2.857 -15.575 6.041
33 HB3 SER 8 2HB SER 8 -2.288 -17.084 5.327
34 HG SER 8 HG SER 8 -0.678 -17.184 6.775
35 H GLY 9 H GLY 9 -0.405 -15.259 2.303
36 HA2 GLY 9 1HA GLY 9 -1.991 -15.841 0.459
37 HA3 GLY 9 2HA GLY 9 -3.128 -14.769 1.263
38 H GLU 10 H GLU 10 -3.022 -13.952 -1.080
39 HA GLU 10 HA GLU 10 -0.854 -11.973 -1.324
40 HB2 GLU 10 1HB GLU 10 -0.993 -12.109 -3.658
41 HB3 GLU 10 2HB GLU 10 -1.152 -13.777 -3.127
42 HG2 GLU 10 1HG GLU 10 -3.631 -13.511 -3.311
43 HG3 GLU 10 2HG GLU 10 -3.341 -11.938 -4.053
44 H LYS 11 H LYS 11 -1.733 -10.133 -2.944
45 HA LYS 11 HA LYS 11 -4.370 -9.261 -1.985
46 HB2 LYS 11 1HB LYS 11 -1.750 -7.884 -1.702
47 HB3 LYS 11 2HB LYS 11 -3.143 -6.886 -2.098
48 HG2 LYS 11 1HG LYS 11 -4.133 -7.215 -0.076
49 HG3 LYS 11 2HG LYS 11 -3.417 -8.814 0.139
50 HD2 LYS 11 1HD LYS 11 -1.256 -7.804 0.617
51 HD3 LYS 11 2HD LYS 11 -1.928 -6.195 0.335
52 HE2 LYS 11 1HE LYS 11 -3.259 -7.933 2.345
53 HE3 LYS 11 2HE LYS 11 -1.701 -7.224 2.770
54 HZ1 LYS 11 3HZ LYS 11 -3.618 -5.849 3.432
55 HZ2 LYS 11 1HZ LYS 11 -4.040 -5.672 1.804
56 HZ3 LYS 11 2HZ LYS 11 -2.575 -5.045 2.371
57 HA PRO 12 HA PRO 12 -5.219 -8.166 -6.150
58 HB2 PRO 12 1HB PRO 12 -6.819 -5.996 -5.828
59 HB3 PRO 12 2HB PRO 12 -7.348 -7.642 -5.461
60 HG2 PRO 12 1HG PRO 12 -6.363 -5.511 -3.603
61 HG3 PRO 12 2HG PRO 12 -7.727 -6.627 -3.403
62 HD2 PRO 12 1HD PRO 12 -5.328 -7.030 -2.213
63 HD3 PRO 12 2HD PRO 12 -6.368 -8.368 -2.742
64 H PHE 13 H PHE 13 -3.499 -6.061 -4.095
65 HA PHE 13 HA PHE 13 -2.204 -4.810 -6.343
66 HB2 PHE 13 1HB PHE 13 -3.821 -3.160 -4.394
67 HB3 PHE 13 2HB PHE 13 -2.620 -2.487 -5.491
68 HD1 PHE 13 HD2 PHE 13 -5.827 -4.325 -5.356
69 HD2 PHE 13 HD1 PHE 13 -3.152 -2.009 -7.723
70 HE1 PHE 13 HE2 PHE 13 -7.539 -4.150 -7.114
71 HE2 PHE 13 HE1 PHE 13 -4.861 -1.829 -9.484
72 HZ PHE 13 HZ PHE 13 -7.057 -2.902 -9.182
73 H LYS 14 H LYS 14 -0.160 -5.195 -5.803
74 HA LYS 14 HA LYS 14 0.756 -4.349 -3.142
75 HB2 LYS 14 1HB LYS 14 2.356 -6.332 -3.234
76 HB3 LYS 14 2HB LYS 14 0.670 -6.692 -2.890
77 HG2 LYS 14 1HG LYS 14 1.075 -8.300 -4.434
78 HG3 LYS 14 2HG LYS 14 0.582 -6.998 -5.518
79 HD2 LYS 14 1HD LYS 14 2.794 -6.524 -6.136
80 HD3 LYS 14 2HD LYS 14 3.459 -7.409 -4.761
81 HE2 LYS 14 1HE LYS 14 2.734 -9.511 -5.728
82 HE3 LYS 14 2HE LYS 14 1.966 -8.657 -7.067
83 HZ1 LYS 14 3HZ LYS 14 3.919 -9.104 -8.063
84 HZ2 LYS 14 1HZ LYS 14 4.774 -9.247 -6.609
85 HZ3 LYS 14 2HZ LYS 14 4.441 -7.716 -7.247
86 H CYS 15 H CYS 15 2.835 -3.507 -3.049
87 HA CYS 15 HA CYS 15 3.768 -2.057 -5.198
88 HB2 CYS 15 1HB CYS 15 4.428 -1.714 -2.818
89 HB3 CYS 15 2HB CYS 15 5.465 -3.132 -2.937
90 H GLU 16 H GLU 16 5.349 -2.325 -6.750
91 HA GLU 16 HA GLU 16 5.908 -5.088 -7.467
92 HB2 GLU 16 1HB GLU 16 6.173 -4.364 -9.618
93 HB3 GLU 16 2HB GLU 16 5.150 -3.067 -9.016
94 HG2 GLU 16 1HG GLU 16 7.235 -1.766 -8.543
95 HG3 GLU 16 2HG GLU 16 8.131 -3.023 -9.392
96 H GLU 17 H GLU 17 7.485 -2.402 -6.032
97 HA GLU 17 HA GLU 17 10.163 -3.086 -6.725
98 HB2 GLU 17 1HB GLU 17 8.921 -1.295 -4.660
99 HB3 GLU 17 2HB GLU 17 10.651 -1.610 -4.646
100 HG2 GLU 17 1HG GLU 17 9.682 0.466 -5.892
101 HG3 GLU 17 2HG GLU 17 11.025 -0.449 -6.575
102 H CYS 18 H CYS 18 8.319 -3.448 -3.694
103 HA CYS 18 HA CYS 18 10.207 -5.565 -2.902
104 HB2 CYS 18 1HB CYS 18 9.317 -5.116 -0.572
105 HB3 CYS 18 2HB CYS 18 10.274 -3.822 -1.286
106 H GLY 19 H GLY 19 6.767 -4.656 -2.655
107 HA2 GLY 19 1HA GLY 19 5.320 -6.529 -3.643
108 HA3 GLY 19 2HA GLY 19 6.115 -7.521 -2.430
109 H LYS 20 H LYS 20 5.781 -4.499 -1.146
110 HA LYS 20 HA LYS 20 4.226 -5.036 0.964
111 HB2 LYS 20 1HB LYS 20 5.304 -2.821 0.364
112 HB3 LYS 20 2HB LYS 20 3.862 -2.469 -0.580
113 HG2 LYS 20 1HG LYS 20 2.552 -2.179 1.265
114 HG3 LYS 20 2HG LYS 20 3.521 -3.267 2.261
115 HD2 LYS 20 1HD LYS 20 5.305 -1.585 2.348
116 HD3 LYS 20 2HD LYS 20 4.322 -0.498 1.364
117 HE2 LYS 20 1HE LYS 20 4.108 0.140 3.669
118 HE3 LYS 20 2HE LYS 20 2.581 -0.559 3.131
119 HZ1 LYS 20 3HZ LYS 20 4.308 -1.413 5.221
120 HZ2 LYS 20 1HZ LYS 20 4.038 -2.668 4.120
121 HZ3 LYS 20 2HZ LYS 20 2.728 -1.905 4.870
122 H GLY 21 H GLY 21 2.087 -5.227 1.509
123 HA2 GLY 21 1HA GLY 21 0.271 -5.763 -0.712
124 HA3 GLY 21 2HA GLY 21 0.003 -6.177 0.975
125 H PHE 22 H PHE 22 -1.730 -4.803 -0.995
126 HA PHE 22 HA PHE 22 -2.495 -2.592 0.731
127 HB2 PHE 22 1HB PHE 22 -2.077 -2.168 -2.235
128 HB3 PHE 22 2HB PHE 22 -2.627 -0.969 -1.069
129 HD1 PHE 22 HD1 PHE 22 -1.032 -0.301 0.793
130 HD2 PHE 22 HD2 PHE 22 0.191 -2.460 -2.665
131 HE1 PHE 22 HE1 PHE 22 1.299 0.373 1.201
132 HE2 PHE 22 HE2 PHE 22 2.524 -1.790 -2.262
133 HZ PHE 22 HZ PHE 22 3.081 -0.372 -0.327
134 H TYR 23 H TYR 23 -4.648 -1.711 0.134
135 HA TYR 23 HA TYR 23 -6.318 -3.826 -1.055
136 HB2 TYR 23 1HB TYR 23 -6.971 -1.812 1.103
137 HB3 TYR 23 2HB TYR 23 -8.158 -2.879 0.359
138 HD1 TYR 23 HD1 TYR 23 -6.572 -5.389 0.170
139 HD2 TYR 23 HD2 TYR 23 -6.905 -2.551 3.322
140 HE1 TYR 23 HE1 TYR 23 -6.019 -7.144 1.801
141 HE2 TYR 23 HE2 TYR 23 -6.352 -4.298 4.962
142 HH TYR 23 HH TYR 23 -6.254 -7.634 4.130
143 H THR 24 H THR 24 -4.958 -1.206 -2.082
144 HA THR 24 HA THR 24 -6.936 -0.609 -4.027
145 HB THR 24 HB THR 24 -8.123 0.831 -2.726
146 HG1 THR 24 HG1 THR 24 -7.548 2.414 -4.038
147 HG21 THR 24 3HG2 THR 24 -7.366 1.927 -0.759
148 HG22 THR 24 1HG2 THR 24 -5.674 1.693 -1.195
149 HG23 THR 24 2HG2 THR 24 -6.663 0.310 -0.727
150 H ASN 25 H ASN 25 -6.216 1.055 -5.559
151 HA ASN 25 HA ASN 25 -3.477 0.793 -6.168
152 HB2 ASN 25 1HB ASN 25 -3.956 1.913 -8.119
153 HB3 ASN 25 2HB ASN 25 -5.578 1.396 -7.665
154 HD21 ASN 25 1HD2 ASN 25 -3.428 4.053 -8.065
155 HD22 ASN 25 2HD2 ASN 25 -4.583 5.308 -7.791
156 H SER 26 H SER 26 -5.352 3.456 -4.775
157 HA SER 26 HA SER 26 -3.377 5.407 -4.712
158 HB2 SER 26 1HB SER 26 -5.735 4.862 -2.916
159 HB3 SER 26 2HB SER 26 -4.666 6.237 -2.640
160 HG SER 26 HG SER 26 -6.674 6.042 -4.362
161 H GLN 27 H GLN 27 -4.084 2.846 -2.372
162 HA GLN 27 HA GLN 27 -2.147 3.640 -0.467
163 HB2 GLN 27 1HB GLN 27 -3.766 1.185 -0.959
164 HB3 GLN 27 2HB GLN 27 -2.388 1.067 0.127
165 HG2 GLN 27 1HG GLN 27 -4.305 3.291 0.548
166 HG3 GLN 27 2HG GLN 27 -4.808 1.660 0.992
167 HE21 GLN 27 1HE2 GLN 27 -3.748 0.591 2.659
168 HE22 GLN 27 2HE2 GLN 27 -2.739 1.421 3.789
169 H CYS 28 H CYS 28 -2.064 1.462 -3.234
170 HA CYS 28 HA CYS 28 0.460 0.319 -2.729
171 HB2 CYS 28 1HB CYS 28 -0.876 -0.799 -4.312
172 HB3 CYS 28 2HB CYS 28 -1.187 0.675 -5.221
173 HG CYS 28 HG CYS 28 1.907 -0.770 -5.065
174 H TYR 29 H TYR 29 -0.523 3.256 -4.400
175 HA TYR 29 HA TYR 29 2.098 3.852 -5.390
176 HB2 TYR 29 1HB TYR 29 -0.119 4.651 -6.369
177 HB3 TYR 29 2HB TYR 29 -0.162 5.820 -5.054
178 HD1 TYR 29 HD1 TYR 29 1.673 4.780 -8.082
179 HD2 TYR 29 HD2 TYR 29 1.207 7.774 -5.095
180 HE1 TYR 29 HE1 TYR 29 3.067 6.311 -9.409
181 HE2 TYR 29 HE2 TYR 29 2.600 9.314 -6.414
182 HH TYR 29 HH TYR 29 4.469 9.018 -8.218
183 H SER 30 H SER 30 0.099 5.050 -2.714
184 HA SER 30 HA SER 30 1.585 7.084 -1.713
185 HB2 SER 30 1HB SER 30 -0.492 6.386 -0.661
186 HB3 SER 30 2HB SER 30 0.249 4.877 -0.127
187 HG SER 30 HG SER 30 1.814 6.703 0.805
188 H HIS 31 H HIS 31 2.159 3.633 -1.085
189 HA HIS 31 HA HIS 31 4.516 4.117 0.466
190 HB2 HIS 31 1HB HIS 31 3.628 2.099 1.083
191 HB3 HIS 31 2HB HIS 31 3.060 1.730 -0.542
192 HD1 HIS 31 HD1 HIS 31 6.007 1.359 1.709
193 HD2 HIS 31 HD2 HIS 31 4.922 0.414 -2.188
194 HE1 HIS 31 HE1 HIS 31 7.767 -0.239 0.890
195 H GLN 32 H GLN 32 3.934 2.841 -2.806
196 HA GLN 32 HA GLN 32 6.434 2.286 -3.675
197 HB2 GLN 32 1HB GLN 32 4.041 3.438 -5.010
198 HB3 GLN 32 2HB GLN 32 5.558 3.486 -5.899
199 HG2 GLN 32 1HG GLN 32 4.717 0.922 -4.650
200 HG3 GLN 32 2HG GLN 32 3.906 1.462 -6.120
201 HE21 GLN 32 1HE2 GLN 32 4.694 0.090 -7.594
202 HE22 GLN 32 2HE2 GLN 32 6.369 -0.103 -7.969
203 H ARG 33 H ARG 33 5.148 5.444 -2.975
204 HA ARG 33 HA ARG 33 6.846 7.125 -4.332
205 HB2 ARG 33 1HB ARG 33 5.837 7.432 -1.497
206 HB3 ARG 33 2HB ARG 33 6.518 8.728 -2.472
207 HG2 ARG 33 1HG ARG 33 4.217 7.211 -3.576
208 HG3 ARG 33 2HG ARG 33 3.918 8.358 -2.269
209 HD2 ARG 33 1HD ARG 33 5.354 9.966 -3.740
210 HD3 ARG 33 2HD ARG 33 4.928 8.851 -5.037
211 HE ARG 33 HE ARG 33 2.532 9.376 -3.988
212 HH11 ARG 33 1HH1 ARG 33 5.159 11.487 -4.863
213 HH12 ARG 33 2HH1 ARG 33 4.128 12.825 -5.246
214 HH21 ARG 33 1HH2 ARG 33 1.164 11.131 -4.489
215 HH22 ARG 33 2HH2 ARG 33 1.856 12.622 -5.032
216 H SER 34 H SER 34 7.441 5.458 -1.263
217 HA SER 34 HA SER 34 9.856 6.585 -0.550
218 HB2 SER 34 1HB SER 34 8.709 5.029 0.916
219 HB3 SER 34 2HB SER 34 8.947 3.714 -0.235
220 HG SER 34 HG SER 34 11.206 3.947 0.105
221 H HIS 35 H HIS 35 9.312 3.782 -2.669
222 HA HIS 35 HA HIS 35 12.007 3.251 -3.233
223 HB2 HIS 35 1HB HIS 35 9.510 2.718 -4.850
224 HB3 HIS 35 2HB HIS 35 11.101 2.096 -5.278
225 HD1 HIS 35 HD1 HIS 35 12.200 0.459 -3.425
226 HD2 HIS 35 HD2 HIS 35 8.121 1.172 -3.091
227 HE1 HIS 35 HE1 HIS 35 11.318 -1.369 -1.940
228 H SER 36 H SER 36 13.452 4.132 -4.587
229 HA SER 36 HA SER 36 12.648 5.780 -6.813
230 HB2 SER 36 1HB SER 36 14.148 7.014 -4.489
231 HB3 SER 36 2HB SER 36 13.874 7.790 -6.049
232 HG SER 36 HG SER 36 12.127 8.484 -5.094
233 H GLY 37 H GLY 37 14.255 6.016 -8.342
234 HA2 GLY 37 1HA GLY 37 16.978 5.212 -7.697
235 HA3 GLY 37 2HA GLY 37 16.112 4.160 -8.807
236 H GLU 38 H GLU 38 18.458 6.182 -8.955
237 HA GLU 38 HA GLU 38 17.472 7.941 -11.062
238 HB2 GLU 38 1HB GLU 38 19.633 9.027 -10.938
239 HB3 GLU 38 2HB GLU 38 18.974 8.846 -9.318
240 HG2 GLU 38 1HG GLU 38 20.519 7.255 -8.715
241 HG3 GLU 38 2HG GLU 38 20.835 6.777 -10.382
242 H LYS 39 H LYS 39 17.464 5.160 -11.625
243 HA LYS 39 HA LYS 39 19.694 4.834 -13.506
244 HB2 LYS 39 1HB LYS 39 19.293 2.515 -13.468
245 HB3 LYS 39 2HB LYS 39 19.089 3.030 -11.799
246 HG2 LYS 39 1HG LYS 39 16.765 2.812 -11.892
247 HG3 LYS 39 2HG LYS 39 16.751 2.781 -13.657
248 HD2 LYS 39 1HD LYS 39 18.142 0.648 -12.068
249 HD3 LYS 39 2HD LYS 39 16.410 0.564 -12.399
250 HE2 LYS 39 1HE LYS 39 17.192 -0.591 -14.202
251 HE3 LYS 39 2HE LYS 39 17.228 1.040 -14.869
252 HZ1 LYS 39 3HZ LYS 39 19.644 0.486 -13.507
253 HZ2 LYS 39 1HZ LYS 39 19.408 0.895 -15.132
254 HZ3 LYS 39 2HZ LYS 39 19.343 -0.725 -14.649
255 HA PRO 40 HA PRO 40 17.130 5.658 -16.984
256 HB2 PRO 40 1HB PRO 40 18.444 4.215 -18.872
257 HB3 PRO 40 2HB PRO 40 19.069 5.733 -18.215
258 HG2 PRO 40 1HG PRO 40 19.789 2.918 -17.495
259 HG3 PRO 40 2HG PRO 40 20.851 4.318 -17.733
260 HD2 PRO 40 1HD PRO 40 20.125 3.441 -15.276
261 HD3 PRO 40 2HD PRO 40 20.429 5.155 -15.628
262 H SER 41 H SER 41 15.228 4.572 -16.278
263 HA SER 41 HA SER 41 14.953 1.760 -17.044
264 HB2 SER 41 1HB SER 41 12.765 1.919 -15.824
265 HB3 SER 41 2HB SER 41 14.172 2.261 -14.818
266 HG SER 41 HG SER 41 12.160 3.756 -14.918
267 H GLY 42 H GLY 42 13.512 4.936 -17.653
268 HA2 GLY 42 1HA GLY 42 12.419 5.717 -19.529
269 HA3 GLY 42 2HA GLY 42 12.789 4.191 -20.319
270 HA PRO 43 HA PRO 43 8.208 4.423 -19.550
271 HB2 PRO 43 1HB PRO 43 7.499 3.750 -22.083
272 HB3 PRO 43 2HB PRO 43 7.816 5.416 -21.584
273 HG2 PRO 43 1HG PRO 43 9.610 3.494 -23.016
274 HG3 PRO 43 2HG PRO 43 9.340 5.218 -23.329
275 HD2 PRO 43 1HD PRO 43 11.504 4.303 -21.983
276 HD3 PRO 43 2HD PRO 43 10.759 5.877 -21.636
277 H SER 44 H SER 44 8.208 2.586 -18.266
278 HA SER 44 HA SER 44 8.962 0.012 -19.084
279 HB2 SER 44 1HB SER 44 7.192 1.042 -16.881
280 HB3 SER 44 2HB SER 44 7.385 -0.690 -17.148
281 HG SER 44 HG SER 44 9.152 -0.497 -16.045
282 H SER 45 H SER 45 5.662 1.308 -18.668
283 HA SER 45 HA SER 45 4.760 -0.623 -20.704
284 HB2 SER 45 1HB SER 45 3.908 -1.071 -18.391
285 HB3 SER 45 2HB SER 45 3.107 0.499 -18.430
286 HG SER 45 HG SER 45 1.779 -0.216 -20.035
287 H GLY 46 H GLY 46 3.265 0.066 -22.242
288 HA2 GLY 46 1HA GLY 46 3.436 2.839 -22.936
289 HA3 GLY 46 2HA GLY 46 2.535 1.603 -23.801
Start of MODEL 8
1 H1 GLY 1 H GLY 1 17.703 -8.373 -11.031
2 HA2 GLY 1 1HA GLY 1 18.443 -8.629 -8.801
3 HA3 GLY 1 2HA GLY 1 18.998 -6.962 -8.819
4 H SER 2 H SER 2 15.954 -8.794 -9.113
5 HA SER 2 HA SER 2 14.776 -7.136 -7.037
6 HB2 SER 2 1HB SER 2 13.789 -7.187 -9.885
7 HB3 SER 2 2HB SER 2 12.723 -6.781 -8.540
8 HG SER 2 HG SER 2 13.719 -4.935 -9.512
9 H SER 3 H SER 3 13.965 -8.566 -5.666
10 HA SER 3 HA SER 3 12.781 -11.040 -6.731
11 HB2 SER 3 1HB SER 3 13.130 -11.936 -4.416
12 HB3 SER 3 2HB SER 3 14.626 -11.496 -5.241
13 HG SER 3 HG SER 3 14.763 -10.623 -3.226
14 H GLY 4 H GLY 4 10.843 -11.855 -5.743
15 HA2 GLY 4 1HA GLY 4 9.325 -10.215 -3.942
16 HA3 GLY 4 2HA GLY 4 8.739 -10.113 -5.596
17 H SER 5 H SER 5 10.096 -12.935 -3.949
18 HA SER 5 HA SER 5 8.101 -14.678 -4.882
19 HB2 SER 5 1HB SER 5 9.040 -16.297 -3.260
20 HB3 SER 5 2HB SER 5 10.299 -15.488 -4.191
21 HG SER 5 HG SER 5 10.153 -13.958 -2.216
22 H SER 6 H SER 6 6.042 -14.007 -4.414
23 HA SER 6 HA SER 6 5.304 -14.003 -1.561
24 HB2 SER 6 1HB SER 6 3.423 -12.463 -2.229
25 HB3 SER 6 2HB SER 6 5.033 -11.759 -2.377
26 HG SER 6 HG SER 6 4.097 -13.057 -4.628
27 H GLY 7 H GLY 7 4.946 -16.294 -1.769
28 HA2 GLY 7 1HA GLY 7 2.865 -17.199 -3.577
29 HA3 GLY 7 2HA GLY 7 3.772 -18.192 -2.445
30 H SER 8 H SER 8 3.085 -18.340 -0.282
31 HA SER 8 HA SER 8 0.350 -18.504 0.125
32 HB2 SER 8 1HB SER 8 2.647 -18.292 2.068
33 HB3 SER 8 2HB SER 8 0.982 -18.499 2.610
34 HG SER 8 HG SER 8 2.574 -20.256 1.077
35 H GLY 9 H GLY 9 -0.927 -16.773 -0.244
36 HA2 GLY 9 1HA GLY 9 -2.059 -14.950 0.844
37 HA3 GLY 9 2HA GLY 9 -0.513 -14.442 1.508
38 H GLU 10 H GLU 10 -2.793 -13.867 -0.862
39 HA GLU 10 HA GLU 10 -0.889 -12.180 -2.341
40 HB2 GLU 10 1HB GLU 10 -1.673 -14.293 -3.571
41 HB3 GLU 10 2HB GLU 10 -3.244 -13.509 -3.662
42 HG2 GLU 10 1HG GLU 10 -2.229 -11.630 -4.859
43 HG3 GLU 10 2HG GLU 10 -0.666 -12.442 -4.790
44 H LYS 11 H LYS 11 -1.664 -10.194 -3.064
45 HA LYS 11 HA LYS 11 -4.300 -9.411 -2.002
46 HB2 LYS 11 1HB LYS 11 -1.644 -8.063 -1.844
47 HB3 LYS 11 2HB LYS 11 -3.079 -7.056 -1.983
48 HG2 LYS 11 1HG LYS 11 -3.905 -7.717 0.071
49 HG3 LYS 11 2HG LYS 11 -2.955 -9.205 0.088
50 HD2 LYS 11 1HD LYS 11 -0.902 -7.825 0.321
51 HD3 LYS 11 2HD LYS 11 -1.925 -6.392 0.447
52 HE2 LYS 11 1HE LYS 11 -2.668 -6.940 2.537
53 HE3 LYS 11 2HE LYS 11 -2.493 -8.673 2.264
54 HZ1 LYS 11 3HZ LYS 11 -0.388 -6.709 2.940
55 HZ2 LYS 11 1HZ LYS 11 -0.017 -8.230 2.300
56 HZ3 LYS 11 2HZ LYS 11 -0.825 -8.110 3.781
57 HA PRO 12 HA PRO 12 -5.426 -7.915 -5.970
58 HB2 PRO 12 1HB PRO 12 -6.803 -5.653 -5.372
59 HB3 PRO 12 2HB PRO 12 -7.433 -7.274 -5.054
60 HG2 PRO 12 1HG PRO 12 -6.112 -5.354 -3.175
61 HG3 PRO 12 2HG PRO 12 -7.541 -6.371 -2.914
62 HD2 PRO 12 1HD PRO 12 -5.089 -7.038 -1.981
63 HD3 PRO 12 2HD PRO 12 -6.280 -8.252 -2.488
64 H PHE 13 H PHE 13 -3.532 -5.907 -3.887
65 HA PHE 13 HA PHE 13 -2.252 -4.690 -6.184
66 HB2 PHE 13 1HB PHE 13 -3.562 -3.001 -4.043
67 HB3 PHE 13 2HB PHE 13 -2.490 -2.390 -5.300
68 HD1 PHE 13 HD2 PHE 13 -5.733 -4.088 -4.737
69 HD2 PHE 13 HD1 PHE 13 -3.316 -1.825 -7.411
70 HE1 PHE 13 HE2 PHE 13 -7.663 -3.806 -6.237
71 HE2 PHE 13 HE1 PHE 13 -5.242 -1.538 -8.915
72 HZ PHE 13 HZ PHE 13 -7.419 -2.530 -8.329
73 H LYS 14 H LYS 14 -0.196 -5.173 -5.804
74 HA LYS 14 HA LYS 14 0.893 -4.626 -3.124
75 HB2 LYS 14 1HB LYS 14 2.517 -6.557 -3.682
76 HB3 LYS 14 2HB LYS 14 0.891 -6.958 -3.144
77 HG2 LYS 14 1HG LYS 14 0.354 -7.019 -5.688
78 HG3 LYS 14 2HG LYS 14 2.102 -7.204 -5.860
79 HD2 LYS 14 1HD LYS 14 1.757 -9.054 -4.022
80 HD3 LYS 14 2HD LYS 14 0.102 -9.047 -4.636
81 HE2 LYS 14 1HE LYS 14 0.933 -9.477 -6.891
82 HE3 LYS 14 2HE LYS 14 2.591 -9.455 -6.292
83 HZ1 LYS 14 3HZ LYS 14 1.410 -11.282 -4.697
84 HZ2 LYS 14 1HZ LYS 14 2.310 -11.645 -6.083
85 HZ3 LYS 14 2HZ LYS 14 0.624 -11.553 -6.171
86 H CYS 15 H CYS 15 3.114 -4.005 -3.058
87 HA CYS 15 HA CYS 15 3.866 -2.225 -5.111
88 HB2 CYS 15 1HB CYS 15 4.536 -2.023 -2.712
89 HB3 CYS 15 2HB CYS 15 5.634 -3.380 -2.945
90 H GLU 16 H GLU 16 5.588 -2.309 -6.589
91 HA GLU 16 HA GLU 16 6.157 -5.000 -7.553
92 HB2 GLU 16 1HB GLU 16 6.487 -4.086 -9.626
93 HB3 GLU 16 2HB GLU 16 5.407 -2.877 -8.945
94 HG2 GLU 16 1HG GLU 16 7.590 -1.697 -8.212
95 HG3 GLU 16 2HG GLU 16 8.348 -2.722 -9.429
96 H GLU 17 H GLU 17 7.686 -2.420 -5.878
97 HA GLU 17 HA GLU 17 10.383 -3.095 -6.552
98 HB2 GLU 17 1HB GLU 17 9.131 -1.363 -4.434
99 HB3 GLU 17 2HB GLU 17 10.863 -1.666 -4.463
100 HG2 GLU 17 1HG GLU 17 9.196 -0.280 -6.539
101 HG3 GLU 17 2HG GLU 17 10.499 0.392 -5.562
102 H CYS 18 H CYS 18 8.588 -3.384 -3.479
103 HA CYS 18 HA CYS 18 10.399 -5.564 -2.711
104 HB2 CYS 18 1HB CYS 18 9.424 -5.177 -0.409
105 HB3 CYS 18 2HB CYS 18 10.372 -3.845 -1.061
106 H GLY 19 H GLY 19 6.941 -4.702 -2.598
107 HA2 GLY 19 1HA GLY 19 5.473 -6.465 -3.632
108 HA3 GLY 19 2HA GLY 19 6.337 -7.594 -2.599
109 H LYS 20 H LYS 20 5.608 -4.452 -1.364
110 HA LYS 20 HA LYS 20 4.380 -5.269 0.941
111 HB2 LYS 20 1HB LYS 20 5.042 -2.862 -0.075
112 HB3 LYS 20 2HB LYS 20 3.294 -2.783 -0.253
113 HG2 LYS 20 1HG LYS 20 3.458 -1.919 1.828
114 HG3 LYS 20 2HG LYS 20 3.398 -3.627 2.268
115 HD2 LYS 20 1HD LYS 20 5.979 -3.518 2.050
116 HD3 LYS 20 2HD LYS 20 5.750 -1.773 2.188
117 HE2 LYS 20 1HE LYS 20 4.693 -2.020 4.325
118 HE3 LYS 20 2HE LYS 20 4.670 -3.776 4.165
119 HZ1 LYS 20 3HZ LYS 20 6.460 -3.182 5.592
120 HZ2 LYS 20 1HZ LYS 20 7.054 -2.041 4.493
121 HZ3 LYS 20 2HZ LYS 20 7.137 -3.690 4.127
122 H GLY 21 H GLY 21 2.013 -4.647 1.542
123 HA2 GLY 21 1HA GLY 21 0.236 -5.787 -0.528
124 HA3 GLY 21 2HA GLY 21 0.087 -6.179 1.179
125 H PHE 22 H PHE 22 -1.641 -4.778 -0.960
126 HA PHE 22 HA PHE 22 -2.706 -2.796 0.873
127 HB2 PHE 22 1HB PHE 22 -2.035 -1.994 -1.962
128 HB3 PHE 22 2HB PHE 22 -2.679 -0.966 -0.685
129 HD1 PHE 22 HD1 PHE 22 -1.190 -0.751 1.445
130 HD2 PHE 22 HD2 PHE 22 0.231 -2.005 -2.366
131 HE1 PHE 22 HE1 PHE 22 1.098 -0.122 2.095
132 HE2 PHE 22 HE2 PHE 22 2.521 -1.380 -1.722
133 HZ PHE 22 HZ PHE 22 2.958 -0.437 0.511
134 H TYR 23 H TYR 23 -4.783 -1.843 -0.038
135 HA TYR 23 HA TYR 23 -6.204 -3.926 -1.564
136 HB2 TYR 23 1HB TYR 23 -6.946 -2.372 0.860
137 HB3 TYR 23 2HB TYR 23 -8.227 -2.718 -0.295
138 HD1 TYR 23 HD1 TYR 23 -5.422 -5.027 0.193
139 HD2 TYR 23 HD2 TYR 23 -9.444 -4.129 1.253
140 HE1 TYR 23 HE1 TYR 23 -5.668 -7.281 1.147
141 HE2 TYR 23 HE2 TYR 23 -9.700 -6.380 2.211
142 HH TYR 23 HH TYR 23 -8.649 -8.625 1.941
143 H THR 24 H THR 24 -5.658 -0.503 -1.120
144 HA THR 24 HA THR 24 -7.300 0.046 -3.506
145 HB THR 24 HB THR 24 -7.432 2.383 -2.727
146 HG1 THR 24 HG1 THR 24 -5.711 1.374 -0.771
147 HG21 THR 24 3HG2 THR 24 -9.296 1.096 -2.106
148 HG22 THR 24 1HG2 THR 24 -8.796 1.889 -0.613
149 HG23 THR 24 2HG2 THR 24 -8.383 0.197 -0.895
150 H ASN 25 H ASN 25 -6.388 1.001 -5.247
151 HA ASN 25 HA ASN 25 -3.693 0.843 -5.761
152 HB2 ASN 25 1HB ASN 25 -4.927 1.133 -7.685
153 HB3 ASN 25 2HB ASN 25 -5.935 2.392 -6.977
154 HD21 ASN 25 1HD2 ASN 25 -3.381 1.733 -9.024
155 HD22 ASN 25 2HD2 ASN 25 -2.768 3.339 -9.205
156 H SER 26 H SER 26 -5.513 3.678 -4.640
157 HA SER 26 HA SER 26 -3.560 5.601 -4.683
158 HB2 SER 26 1HB SER 26 -4.768 6.716 -2.878
159 HB3 SER 26 2HB SER 26 -5.913 6.002 -4.013
160 HG SER 26 HG SER 26 -5.064 4.673 -1.663
161 H GLN 27 H GLN 27 -4.069 3.094 -2.246
162 HA GLN 27 HA GLN 27 -2.036 4.010 -0.481
163 HB2 GLN 27 1HB GLN 27 -3.652 1.510 -0.747
164 HB3 GLN 27 2HB GLN 27 -2.234 1.497 0.293
165 HG2 GLN 27 1HG GLN 27 -3.128 3.180 1.692
166 HG3 GLN 27 2HG GLN 27 -4.421 3.538 0.549
167 HE21 GLN 27 1HE2 GLN 27 -6.071 3.165 1.979
168 HE22 GLN 27 2HE2 GLN 27 -6.462 1.594 2.581
169 H CYS 28 H CYS 28 -2.150 1.484 -2.971
170 HA CYS 28 HA CYS 28 0.376 0.400 -2.624
171 HB2 CYS 28 1HB CYS 28 -1.099 -0.701 -4.115
172 HB3 CYS 28 2HB CYS 28 -1.329 0.749 -5.084
173 HG CYS 28 HG CYS 28 1.245 -1.454 -5.118
174 H TYR 29 H TYR 29 -0.595 3.193 -4.582
175 HA TYR 29 HA TYR 29 1.982 3.718 -5.629
176 HB2 TYR 29 1HB TYR 29 -0.324 4.577 -6.433
177 HB3 TYR 29 2HB TYR 29 -0.111 5.840 -5.226
178 HD1 TYR 29 HD2 TYR 29 2.040 7.248 -5.373
179 HD2 TYR 29 HD1 TYR 29 0.614 4.811 -8.556
180 HE1 TYR 29 HE2 TYR 29 3.390 8.549 -6.966
181 HE2 TYR 29 HE1 TYR 29 1.961 6.104 -10.158
182 HH TYR 29 HH TYR 29 3.912 8.877 -9.100
183 H SER 30 H SER 30 0.180 5.116 -2.904
184 HA SER 30 HA SER 30 1.835 7.097 -2.065
185 HB2 SER 30 1HB SER 30 0.126 5.142 -0.583
186 HB3 SER 30 2HB SER 30 1.187 6.205 0.342
187 HG SER 30 HG SER 30 -0.352 7.375 -1.660
188 H HIS 31 H HIS 31 2.170 3.665 -1.175
189 HA HIS 31 HA HIS 31 4.616 4.048 0.229
190 HB2 HIS 31 1HB HIS 31 3.553 2.129 0.938
191 HB3 HIS 31 2HB HIS 31 3.023 1.695 -0.684
192 HD1 HIS 31 HD1 HIS 31 5.707 1.118 1.769
193 HD2 HIS 31 HD2 HIS 31 5.045 0.416 -2.272
194 HE1 HIS 31 HE1 HIS 31 7.462 -0.547 1.080
195 H GLN 32 H GLN 32 3.819 2.849 -3.014
196 HA GLN 32 HA GLN 32 6.269 2.046 -3.918
197 HB2 GLN 32 1HB GLN 32 3.898 3.277 -5.219
198 HB3 GLN 32 2HB GLN 32 5.384 3.216 -6.158
199 HG2 GLN 32 1HG GLN 32 4.493 0.737 -4.793
200 HG3 GLN 32 2HG GLN 32 3.609 1.269 -6.222
201 HE21 GLN 32 1HE2 GLN 32 4.372 -0.714 -7.175
202 HE22 GLN 32 2HE2 GLN 32 5.957 -0.781 -7.857
203 H ARG 33 H ARG 33 5.042 5.362 -3.745
204 HA ARG 33 HA ARG 33 7.067 6.701 -5.063
205 HB2 ARG 33 1HB ARG 33 5.286 7.460 -2.770
206 HB3 ARG 33 2HB ARG 33 6.526 8.571 -3.334
207 HG2 ARG 33 1HG ARG 33 5.487 8.922 -5.356
208 HG3 ARG 33 2HG ARG 33 4.620 7.386 -5.296
209 HD2 ARG 33 1HD ARG 33 2.955 8.956 -4.885
210 HD3 ARG 33 2HD ARG 33 3.399 8.405 -3.270
211 HE ARG 33 HE ARG 33 4.982 10.564 -3.637
212 HH11 ARG 33 1HH1 ARG 33 1.559 10.030 -3.978
213 HH12 ARG 33 2HH1 ARG 33 1.132 11.658 -3.568
214 HH21 ARG 33 1HH2 ARG 33 4.433 12.710 -3.096
215 HH22 ARG 33 2HH2 ARG 33 2.767 13.182 -3.067
216 H SER 34 H SER 34 6.947 5.643 -1.686
217 HA SER 34 HA SER 34 9.157 6.832 -0.622
218 HB2 SER 34 1HB SER 34 8.260 3.967 -0.228
219 HB3 SER 34 2HB SER 34 9.401 4.814 0.818
220 HG SER 34 HG SER 34 6.683 5.482 0.350
221 H HIS 35 H HIS 35 9.127 3.820 -2.513
222 HA HIS 35 HA HIS 35 11.819 3.205 -2.425
223 HB2 HIS 35 1HB HIS 35 9.700 2.748 -4.503
224 HB3 HIS 35 2HB HIS 35 11.361 2.244 -4.800
225 HD1 HIS 35 HD1 HIS 35 12.333 0.686 -2.676
226 HD2 HIS 35 HD2 HIS 35 8.235 0.801 -3.352
227 HE1 HIS 35 HE1 HIS 35 11.407 -1.354 -1.535
228 H SER 36 H SER 36 13.410 4.627 -2.746
229 HA SER 36 HA SER 36 13.251 6.394 -5.097
230 HB2 SER 36 1HB SER 36 13.420 7.467 -2.810
231 HB3 SER 36 2HB SER 36 15.035 6.770 -2.685
232 HG SER 36 HG SER 36 15.375 8.744 -3.532
233 H GLY 37 H GLY 37 14.045 3.693 -5.359
234 HA2 GLY 37 1HA GLY 37 16.790 3.221 -5.257
235 HA3 GLY 37 2HA GLY 37 15.681 2.450 -6.381
236 H GLU 38 H GLU 38 18.500 3.764 -6.473
237 HA GLU 38 HA GLU 38 17.995 5.492 -8.801
238 HB2 GLU 38 1HB GLU 38 19.207 6.644 -7.058
239 HB3 GLU 38 2HB GLU 38 20.375 5.334 -6.948
240 HG2 GLU 38 1HG GLU 38 21.194 7.341 -8.154
241 HG3 GLU 38 2HG GLU 38 21.274 5.849 -9.090
242 H LYS 39 H LYS 39 17.727 3.662 -10.191
243 HA LYS 39 HA LYS 39 20.091 2.001 -10.635
244 HB2 LYS 39 1HB LYS 39 18.640 0.661 -12.082
245 HB3 LYS 39 2HB LYS 39 17.926 0.866 -10.488
246 HG2 LYS 39 1HG LYS 39 16.096 1.272 -11.763
247 HG3 LYS 39 2HG LYS 39 16.746 2.912 -11.682
248 HD2 LYS 39 1HD LYS 39 16.261 2.586 -13.951
249 HD3 LYS 39 2HD LYS 39 18.003 2.321 -13.833
250 HE2 LYS 39 1HE LYS 39 17.787 0.013 -14.060
251 HE3 LYS 39 2HE LYS 39 16.082 0.032 -13.611
252 HZ1 LYS 39 3HZ LYS 39 17.295 0.907 -16.167
253 HZ2 LYS 39 1HZ LYS 39 15.706 1.294 -15.733
254 HZ3 LYS 39 2HZ LYS 39 16.161 -0.324 -15.921
255 HA PRO 40 HA PRO 40 21.449 4.237 -14.166
256 HB2 PRO 40 1HB PRO 40 22.639 2.240 -15.568
257 HB3 PRO 40 2HB PRO 40 23.337 2.930 -14.098
258 HG2 PRO 40 1HG PRO 40 21.763 0.407 -14.444
259 HG3 PRO 40 2HG PRO 40 23.225 0.690 -13.481
260 HD2 PRO 40 1HD PRO 40 20.750 0.613 -12.384
261 HD3 PRO 40 2HD PRO 40 22.047 1.641 -11.742
262 H SER 41 H SER 41 20.560 4.888 -16.034
263 HA SER 41 HA SER 41 18.333 3.397 -17.117
264 HB2 SER 41 1HB SER 41 19.522 6.099 -17.748
265 HB3 SER 41 2HB SER 41 18.203 5.404 -18.690
266 HG SER 41 HG SER 41 17.109 6.454 -17.182
267 H GLY 42 H GLY 42 19.597 1.559 -17.857
268 HA2 GLY 42 1HA GLY 42 19.936 1.356 -20.544
269 HA3 GLY 42 2HA GLY 42 21.499 1.938 -19.991
270 HA PRO 43 HA PRO 43 20.831 -2.430 -17.995
271 HB2 PRO 43 1HB PRO 43 18.798 -3.905 -19.026
272 HB3 PRO 43 2HB PRO 43 18.598 -2.834 -17.634
273 HG2 PRO 43 1HG PRO 43 17.911 -2.353 -20.507
274 HG3 PRO 43 2HG PRO 43 16.976 -1.961 -19.053
275 HD2 PRO 43 1HD PRO 43 18.440 -0.114 -20.386
276 HD3 PRO 43 2HD PRO 43 18.199 -0.054 -18.628
277 H SER 44 H SER 44 21.084 -1.420 -21.119
278 HA SER 44 HA SER 44 21.980 -2.259 -23.040
279 HB2 SER 44 1HB SER 44 23.913 -3.702 -22.765
280 HB3 SER 44 2HB SER 44 23.902 -2.502 -21.472
281 HG SER 44 HG SER 44 22.610 -4.915 -20.973
282 H SER 45 H SER 45 19.508 -3.165 -22.847
283 HA SER 45 HA SER 45 19.394 -6.049 -22.932
284 HB2 SER 45 1HB SER 45 17.356 -3.865 -23.333
285 HB3 SER 45 2HB SER 45 16.973 -5.557 -23.647
286 HG SER 45 HG SER 45 17.755 -5.922 -21.428
287 H GLY 46 H GLY 46 17.785 -6.755 -24.923
288 HA2 GLY 46 1HA GLY 46 17.758 -5.899 -27.418
289 HA3 GLY 46 2HA GLY 46 19.461 -6.306 -27.275
Start of MODEL 9
1 H1 GLY 1 H GLY 1 18.576 -3.476 12.598
2 HA2 GLY 1 1HA GLY 1 17.307 -5.602 12.966
3 HA3 GLY 1 2HA GLY 1 16.212 -4.634 13.942
4 H SER 2 H SER 2 16.251 -6.185 11.186
5 HA SER 2 HA SER 2 14.511 -4.224 9.862
6 HB2 SER 2 1HB SER 2 16.687 -4.163 8.716
7 HB3 SER 2 2HB SER 2 16.606 -5.906 8.463
8 HG SER 2 HG SER 2 14.409 -5.152 7.465
9 H SER 3 H SER 3 12.583 -5.043 9.402
10 HA SER 3 HA SER 3 12.148 -7.903 9.690
11 HB2 SER 3 1HB SER 3 10.625 -6.264 10.783
12 HB3 SER 3 2HB SER 3 10.130 -5.703 9.186
13 HG SER 3 HG SER 3 8.646 -7.203 9.647
14 H GLY 4 H GLY 4 12.711 -9.026 7.914
15 HA2 GLY 4 1HA GLY 4 12.289 -7.987 5.257
16 HA3 GLY 4 2HA GLY 4 12.940 -9.566 5.671
17 H SER 5 H SER 5 10.759 -10.401 7.323
18 HA SER 5 HA SER 5 9.203 -11.870 5.733
19 HB2 SER 5 1HB SER 5 7.530 -11.959 7.452
20 HB3 SER 5 2HB SER 5 9.089 -11.759 8.253
21 HG SER 5 HG SER 5 7.196 -10.352 8.883
22 H SER 6 H SER 6 7.493 -11.686 4.376
23 HA SER 6 HA SER 6 6.394 -8.984 3.956
24 HB2 SER 6 1HB SER 6 8.008 -10.038 2.163
25 HB3 SER 6 2HB SER 6 6.570 -10.949 1.700
26 HG SER 6 HG SER 6 6.015 -8.319 2.049
27 H GLY 7 H GLY 7 4.331 -9.256 2.434
28 HA2 GLY 7 1HA GLY 7 2.279 -10.273 3.944
29 HA3 GLY 7 2HA GLY 7 2.183 -10.051 2.203
30 H SER 8 H SER 8 0.954 -12.115 3.843
31 HA SER 8 HA SER 8 2.408 -14.532 3.084
32 HB2 SER 8 1HB SER 8 -0.155 -14.265 4.673
33 HB3 SER 8 2HB SER 8 0.815 -15.726 4.485
34 HG SER 8 HG SER 8 1.805 -15.046 6.204
35 H GLY 9 H GLY 9 -0.961 -13.362 2.860
36 HA2 GLY 9 1HA GLY 9 -1.426 -15.165 0.616
37 HA3 GLY 9 2HA GLY 9 -2.638 -14.200 1.445
38 H GLU 10 H GLU 10 -2.778 -14.259 -1.225
39 HA GLU 10 HA GLU 10 -1.257 -12.237 -2.526
40 HB2 GLU 10 1HB GLU 10 -2.427 -12.781 -4.424
41 HB3 GLU 10 2HB GLU 10 -2.670 -14.249 -3.487
42 HG2 GLU 10 1HG GLU 10 -4.863 -13.530 -2.825
43 HG3 GLU 10 2HG GLU 10 -4.622 -11.962 -3.594
44 H LYS 11 H LYS 11 -2.383 -10.353 -3.630
45 HA LYS 11 HA LYS 11 -4.543 -9.177 -2.069
46 HB2 LYS 11 1HB LYS 11 -1.735 -8.175 -2.121
47 HB3 LYS 11 2HB LYS 11 -3.035 -6.990 -2.135
48 HG2 LYS 11 1HG LYS 11 -3.891 -7.808 -0.057
49 HG3 LYS 11 2HG LYS 11 -2.765 -9.168 -0.075
50 HD2 LYS 11 1HD LYS 11 -0.886 -7.561 0.036
51 HD3 LYS 11 2HD LYS 11 -2.055 -6.243 0.158
52 HE2 LYS 11 1HE LYS 11 -1.551 -6.616 2.374
53 HE3 LYS 11 2HE LYS 11 -2.979 -7.629 2.166
54 HZ1 LYS 11 3HZ LYS 11 -1.573 -9.548 1.911
55 HZ2 LYS 11 1HZ LYS 11 -1.177 -8.761 3.355
56 HZ3 LYS 11 2HZ LYS 11 -0.177 -8.598 2.002
57 HA PRO 12 HA PRO 12 -5.812 -7.499 -5.919
58 HB2 PRO 12 1HB PRO 12 -6.925 -5.140 -5.166
59 HB3 PRO 12 2HB PRO 12 -7.679 -6.706 -4.841
60 HG2 PRO 12 1HG PRO 12 -6.052 -4.972 -3.022
61 HG3 PRO 12 2HG PRO 12 -7.547 -5.862 -2.678
62 HD2 PRO 12 1HD PRO 12 -5.105 -6.777 -1.947
63 HD3 PRO 12 2HD PRO 12 -6.438 -7.862 -2.391
64 H PHE 13 H PHE 13 -3.583 -5.746 -3.943
65 HA PHE 13 HA PHE 13 -2.296 -4.644 -6.270
66 HB2 PHE 13 1HB PHE 13 -3.382 -2.749 -4.176
67 HB3 PHE 13 2HB PHE 13 -2.407 -2.308 -5.574
68 HD1 PHE 13 HD2 PHE 13 -5.703 -3.500 -4.466
69 HD2 PHE 13 HD1 PHE 13 -3.372 -2.096 -7.739
70 HE1 PHE 13 HE2 PHE 13 -7.752 -3.208 -5.796
71 HE2 PHE 13 HE1 PHE 13 -5.418 -1.801 -9.074
72 HZ PHE 13 HZ PHE 13 -7.612 -2.358 -8.103
73 H LYS 14 H LYS 14 -0.182 -4.803 -5.956
74 HA LYS 14 HA LYS 14 0.887 -4.485 -3.237
75 HB2 LYS 14 1HB LYS 14 2.534 -6.349 -3.872
76 HB3 LYS 14 2HB LYS 14 0.898 -6.822 -3.434
77 HG2 LYS 14 1HG LYS 14 0.416 -6.780 -5.948
78 HG3 LYS 14 2HG LYS 14 2.170 -6.758 -6.145
79 HD2 LYS 14 1HD LYS 14 2.122 -8.791 -4.533
80 HD3 LYS 14 2HD LYS 14 0.419 -8.894 -4.985
81 HE2 LYS 14 1HE LYS 14 1.104 -8.976 -7.364
82 HE3 LYS 14 2HE LYS 14 2.790 -8.988 -6.849
83 HZ1 LYS 14 3HZ LYS 14 1.169 -11.173 -7.198
84 HZ2 LYS 14 1HZ LYS 14 1.280 -11.001 -5.519
85 HZ3 LYS 14 2HZ LYS 14 2.685 -11.154 -6.447
86 H CYS 15 H CYS 15 3.262 -4.117 -3.228
87 HA CYS 15 HA CYS 15 3.934 -2.114 -5.165
88 HB2 CYS 15 1HB CYS 15 4.575 -1.949 -2.771
89 HB3 CYS 15 2HB CYS 15 5.656 -3.321 -2.990
90 H GLU 16 H GLU 16 5.785 -2.110 -6.537
91 HA GLU 16 HA GLU 16 6.339 -4.748 -7.652
92 HB2 GLU 16 1HB GLU 16 6.776 -3.713 -9.647
93 HB3 GLU 16 2HB GLU 16 5.688 -2.528 -8.938
94 HG2 GLU 16 1HG GLU 16 7.660 -1.258 -8.148
95 HG3 GLU 16 2HG GLU 16 8.693 -2.405 -8.999
96 H GLU 17 H GLU 17 7.885 -2.201 -5.880
97 HA GLU 17 HA GLU 17 10.576 -2.943 -6.437
98 HB2 GLU 17 1HB GLU 17 9.278 -1.268 -4.302
99 HB3 GLU 17 2HB GLU 17 11.002 -1.611 -4.272
100 HG2 GLU 17 1HG GLU 17 11.043 0.356 -5.390
101 HG3 GLU 17 2HG GLU 17 10.859 -0.739 -6.759
102 H CYS 18 H CYS 18 8.708 -3.274 -3.413
103 HA CYS 18 HA CYS 18 10.427 -5.533 -2.677
104 HB2 CYS 18 1HB CYS 18 9.344 -5.214 -0.402
105 HB3 CYS 18 2HB CYS 18 10.375 -3.899 -0.955
106 H GLY 19 H GLY 19 6.979 -4.616 -2.617
107 HA2 GLY 19 1HA GLY 19 5.454 -6.231 -3.736
108 HA3 GLY 19 2HA GLY 19 6.339 -7.490 -2.888
109 H LYS 20 H LYS 20 5.603 -4.481 -1.313
110 HA LYS 20 HA LYS 20 4.462 -5.601 0.936
111 HB2 LYS 20 1HB LYS 20 5.196 -3.126 0.336
112 HB3 LYS 20 2HB LYS 20 3.475 -2.935 0.028
113 HG2 LYS 20 1HG LYS 20 2.909 -3.190 2.227
114 HG3 LYS 20 2HG LYS 20 4.326 -4.178 2.591
115 HD2 LYS 20 1HD LYS 20 4.953 -2.239 3.617
116 HD3 LYS 20 2HD LYS 20 5.589 -1.923 2.001
117 HE2 LYS 20 1HE LYS 20 3.970 -0.381 1.517
118 HE3 LYS 20 2HE LYS 20 2.784 -1.130 2.586
119 HZ1 LYS 20 3HZ LYS 20 4.113 -0.294 4.480
120 HZ2 LYS 20 1HZ LYS 20 3.462 0.941 3.523
121 HZ3 LYS 20 2HZ LYS 20 5.101 0.542 3.390
122 H GLY 21 H GLY 21 2.083 -4.790 1.617
123 HA2 GLY 21 1HA GLY 21 0.274 -5.863 -0.461
124 HA3 GLY 21 2HA GLY 21 0.073 -6.175 1.257
125 H PHE 22 H PHE 22 -1.553 -4.784 -0.954
126 HA PHE 22 HA PHE 22 -2.444 -2.598 0.758
127 HB2 PHE 22 1HB PHE 22 -1.963 -2.128 -2.184
128 HB3 PHE 22 2HB PHE 22 -2.404 -0.941 -0.962
129 HD1 PHE 22 HD1 PHE 22 -0.737 -0.326 0.797
130 HD2 PHE 22 HD2 PHE 22 0.284 -2.680 -2.599
131 HE1 PHE 22 HE1 PHE 22 1.643 0.177 1.168
132 HE2 PHE 22 HE2 PHE 22 2.665 -2.182 -2.233
133 HZ PHE 22 HZ PHE 22 3.347 -0.752 -0.347
134 H TYR 23 H TYR 23 -4.613 -2.065 0.518
135 HA TYR 23 HA TYR 23 -6.189 -4.066 -0.917
136 HB2 TYR 23 1HB TYR 23 -6.659 -2.290 1.422
137 HB3 TYR 23 2HB TYR 23 -8.055 -2.707 0.434
138 HD1 TYR 23 HD1 TYR 23 -5.342 -5.111 0.677
139 HD2 TYR 23 HD2 TYR 23 -9.034 -3.865 2.385
140 HE1 TYR 23 HE1 TYR 23 -5.521 -7.267 1.848
141 HE2 TYR 23 HE2 TYR 23 -9.223 -6.017 3.561
142 HH TYR 23 HH TYR 23 -6.613 -8.358 3.541
143 H THR 24 H THR 24 -5.425 -0.683 -0.937
144 HA THR 24 HA THR 24 -7.271 -0.309 -3.206
145 HB THR 24 HB THR 24 -7.394 2.094 -2.585
146 HG1 THR 24 HG1 THR 24 -5.650 1.200 -0.601
147 HG21 THR 24 3HG2 THR 24 -8.287 0.125 -0.477
148 HG22 THR 24 1HG2 THR 24 -9.194 0.633 -1.901
149 HG23 THR 24 2HG2 THR 24 -8.865 1.786 -0.608
150 H ASN 25 H ASN 25 -6.490 0.683 -5.018
151 HA ASN 25 HA ASN 25 -3.841 0.478 -5.707
152 HB2 ASN 25 1HB ASN 25 -5.230 0.785 -7.531
153 HB3 ASN 25 2HB ASN 25 -6.110 2.108 -6.772
154 HD21 ASN 25 1HD2 ASN 25 -5.766 3.987 -7.680
155 HD22 ASN 25 2HD2 ASN 25 -4.305 4.504 -8.445
156 H SER 26 H SER 26 -5.474 3.563 -4.958
157 HA SER 26 HA SER 26 -3.489 5.343 -4.989
158 HB2 SER 26 1HB SER 26 -5.537 5.028 -2.784
159 HB3 SER 26 2HB SER 26 -4.531 6.461 -2.993
160 HG SER 26 HG SER 26 -6.387 5.410 -4.868
161 H GLN 27 H GLN 27 -4.118 3.335 -2.107
162 HA GLN 27 HA GLN 27 -1.931 4.125 -0.602
163 HB2 GLN 27 1HB GLN 27 -3.569 1.622 -0.701
164 HB3 GLN 27 2HB GLN 27 -2.134 1.672 0.314
165 HG2 GLN 27 1HG GLN 27 -4.167 3.843 0.524
166 HG3 GLN 27 2HG GLN 27 -4.460 2.286 1.296
167 HE21 GLN 27 1HE2 GLN 27 -2.334 5.063 1.174
168 HE22 GLN 27 2HE2 GLN 27 -1.643 4.845 2.742
169 H CYS 28 H CYS 28 -2.153 1.214 -2.654
170 HA CYS 28 HA CYS 28 0.344 0.200 -2.436
171 HB2 CYS 28 1HB CYS 28 -1.284 -0.873 -3.844
172 HB3 CYS 28 2HB CYS 28 -1.310 0.498 -4.946
173 HG CYS 28 HG CYS 28 0.494 -2.188 -5.126
174 H TYR 29 H TYR 29 -0.588 2.937 -4.482
175 HA TYR 29 HA TYR 29 2.021 3.325 -5.562
176 HB2 TYR 29 1HB TYR 29 -0.212 4.103 -6.548
177 HB3 TYR 29 2HB TYR 29 -0.126 5.434 -5.399
178 HD1 TYR 29 HD2 TYR 29 2.370 6.565 -5.412
179 HD2 TYR 29 HD1 TYR 29 0.469 4.616 -8.682
180 HE1 TYR 29 HE2 TYR 29 3.779 7.833 -6.979
181 HE2 TYR 29 HE1 TYR 29 1.874 5.878 -10.258
182 HH TYR 29 HH TYR 29 4.078 8.398 -9.143
183 H SER 30 H SER 30 0.133 5.074 -3.100
184 HA SER 30 HA SER 30 1.806 7.069 -2.380
185 HB2 SER 30 1HB SER 30 -0.355 6.662 -1.283
186 HB3 SER 30 2HB SER 30 0.325 5.265 -0.449
187 HG SER 30 HG SER 30 1.943 6.938 0.317
188 H HIS 31 H HIS 31 2.320 3.670 -1.866
189 HA HIS 31 HA HIS 31 4.604 4.131 -0.120
190 HB2 HIS 31 1HB HIS 31 3.487 2.247 0.621
191 HB3 HIS 31 2HB HIS 31 3.066 1.727 -1.008
192 HD1 HIS 31 HD1 HIS 31 5.667 1.392 1.604
193 HD2 HIS 31 HD2 HIS 31 5.123 0.309 -2.370
194 HE1 HIS 31 HE1 HIS 31 7.459 -0.304 1.118
195 H GLN 32 H GLN 32 3.924 2.781 -3.331
196 HA GLN 32 HA GLN 32 6.398 1.946 -4.119
197 HB2 GLN 32 1HB GLN 32 4.084 2.143 -5.395
198 HB3 GLN 32 2HB GLN 32 4.839 3.582 -6.066
199 HG2 GLN 32 1HG GLN 32 6.802 2.062 -6.657
200 HG3 GLN 32 2HG GLN 32 5.701 0.726 -6.325
201 HE21 GLN 32 1HE2 GLN 32 4.507 0.021 -7.945
202 HE22 GLN 32 2HE2 GLN 32 4.185 0.872 -9.413
203 H ARG 33 H ARG 33 5.218 5.264 -3.972
204 HA ARG 33 HA ARG 33 7.427 6.469 -5.258
205 HB2 ARG 33 1HB ARG 33 6.535 8.532 -4.559
206 HB3 ARG 33 2HB ARG 33 5.136 7.489 -4.771
207 HG2 ARG 33 1HG ARG 33 5.491 7.031 -2.211
208 HG3 ARG 33 2HG ARG 33 6.328 8.583 -2.278
209 HD2 ARG 33 1HD ARG 33 3.661 8.370 -3.572
210 HD3 ARG 33 2HD ARG 33 3.725 8.408 -1.811
211 HE ARG 33 HE ARG 33 5.272 10.501 -2.502
212 HH11 ARG 33 1HH1 ARG 33 2.072 9.513 -3.452
213 HH12 ARG 33 2HH1 ARG 33 1.513 11.130 -3.726
214 HH21 ARG 33 1HH2 ARG 33 4.548 12.634 -2.858
215 HH22 ARG 33 2HH2 ARG 33 2.922 12.905 -3.389
216 H SER 34 H SER 34 6.777 5.598 -1.914
217 HA SER 34 HA SER 34 8.742 6.992 -0.582
218 HB2 SER 34 1HB SER 34 7.056 5.564 0.528
219 HB3 SER 34 2HB SER 34 7.905 4.131 -0.049
220 HG SER 34 HG SER 34 8.569 5.897 1.987
221 H HIS 35 H HIS 35 9.044 4.001 -2.430
222 HA HIS 35 HA HIS 35 11.635 3.277 -1.751
223 HB2 HIS 35 1HB HIS 35 9.927 2.866 -4.168
224 HB3 HIS 35 2HB HIS 35 11.631 2.429 -4.256
225 HD1 HIS 35 HD1 HIS 35 12.409 0.709 -2.259
226 HD2 HIS 35 HD2 HIS 35 8.352 0.922 -3.131
227 HE1 HIS 35 HE1 HIS 35 11.403 -1.383 -1.294
228 H SER 36 H SER 36 13.664 3.761 -2.547
229 HA SER 36 HA SER 36 13.839 6.295 -4.030
230 HB2 SER 36 1HB SER 36 16.133 6.457 -3.056
231 HB3 SER 36 2HB SER 36 14.860 6.425 -1.836
232 HG SER 36 HG SER 36 16.924 4.748 -2.153
233 H GLY 37 H GLY 37 13.519 5.094 -6.035
234 HA2 GLY 37 1HA GLY 37 14.686 4.632 -8.032
235 HA3 GLY 37 2HA GLY 37 16.089 4.172 -7.080
236 H GLU 38 H GLU 38 16.466 2.067 -6.729
237 HA GLU 38 HA GLU 38 14.302 0.136 -6.909
238 HB2 GLU 38 1HB GLU 38 16.447 0.433 -8.950
239 HB3 GLU 38 2HB GLU 38 15.991 -1.200 -8.485
240 HG2 GLU 38 1HG GLU 38 13.876 -1.009 -9.356
241 HG3 GLU 38 2HG GLU 38 13.862 0.748 -9.218
242 H LYS 39 H LYS 39 14.983 -2.039 -6.262
243 HA LYS 39 HA LYS 39 17.310 -1.943 -4.456
244 HB2 LYS 39 1HB LYS 39 14.945 -2.134 -3.463
245 HB3 LYS 39 2HB LYS 39 14.945 -3.773 -4.103
246 HG2 LYS 39 1HG LYS 39 16.732 -4.423 -2.706
247 HG3 LYS 39 2HG LYS 39 17.092 -2.752 -2.266
248 HD2 LYS 39 1HD LYS 39 14.414 -3.941 -1.649
249 HD3 LYS 39 2HD LYS 39 15.795 -4.253 -0.595
250 HE2 LYS 39 1HE LYS 39 16.058 -1.633 -0.744
251 HE3 LYS 39 2HE LYS 39 14.340 -1.710 -1.130
252 HZ1 LYS 39 3HZ LYS 39 14.741 -1.427 1.249
253 HZ2 LYS 39 1HZ LYS 39 15.598 -2.885 1.290
254 HZ3 LYS 39 2HZ LYS 39 13.946 -2.885 0.926
255 HA PRO 40 HA PRO 40 19.028 -5.184 -6.921
256 HB2 PRO 40 1HB PRO 40 20.966 -5.966 -5.188
257 HB3 PRO 40 2HB PRO 40 21.069 -4.479 -6.137
258 HG2 PRO 40 1HG PRO 40 20.249 -4.852 -3.282
259 HG3 PRO 40 2HG PRO 40 21.295 -3.608 -3.992
260 HD2 PRO 40 1HD PRO 40 18.697 -3.151 -3.378
261 HD3 PRO 40 2HD PRO 40 19.510 -2.357 -4.742
262 H SER 41 H SER 41 17.123 -5.590 -4.264
263 HA SER 41 HA SER 41 17.560 -8.089 -3.234
264 HB2 SER 41 1HB SER 41 15.290 -8.125 -2.578
265 HB3 SER 41 2HB SER 41 15.698 -6.411 -2.672
266 HG SER 41 HG SER 41 14.879 -7.075 -5.062
267 H GLY 42 H GLY 42 16.344 -10.133 -3.671
268 HA2 GLY 42 1HA GLY 42 15.092 -10.880 -5.976
269 HA3 GLY 42 2HA GLY 42 16.797 -10.919 -6.401
270 HA PRO 43 HA PRO 43 15.279 -14.722 -3.846
271 HB2 PRO 43 1HB PRO 43 14.284 -16.335 -5.790
272 HB3 PRO 43 2HB PRO 43 13.279 -15.213 -4.865
273 HG2 PRO 43 1HG PRO 43 14.447 -14.895 -7.604
274 HG3 PRO 43 2HG PRO 43 12.823 -14.481 -7.025
275 HD2 PRO 43 1HD PRO 43 14.774 -12.630 -7.334
276 HD3 PRO 43 2HD PRO 43 13.527 -12.502 -6.077
277 H SER 44 H SER 44 17.294 -15.470 -3.479
278 HA SER 44 HA SER 44 19.393 -15.817 -5.165
279 HB2 SER 44 1HB SER 44 19.498 -16.164 -2.716
280 HB3 SER 44 2HB SER 44 18.666 -17.707 -2.912
281 HG SER 44 HG SER 44 20.533 -18.103 -4.466
282 H SER 45 H SER 45 17.147 -18.452 -4.299
283 HA SER 45 HA SER 45 17.510 -19.554 -6.994
284 HB2 SER 45 1HB SER 45 17.750 -21.820 -6.099
285 HB3 SER 45 2HB SER 45 19.029 -20.778 -5.476
286 HG SER 45 HG SER 45 18.287 -21.783 -3.705
287 H GLY 46 H GLY 46 15.582 -19.721 -7.913
288 HA2 GLY 46 1HA GLY 46 13.219 -20.051 -6.193
289 HA3 GLY 46 2HA GLY 46 13.209 -19.412 -7.830
Start of MODEL 10
1 H1 GLY 1 H GLY 1 13.138 -24.543 1.273
2 HA2 GLY 1 1HA GLY 1 12.875 -24.167 3.843
3 HA3 GLY 1 2HA GLY 1 13.436 -22.558 3.413
4 H SER 2 H SER 2 12.102 -22.144 1.028
5 HA SER 2 HA SER 2 9.299 -22.108 1.935
6 HB2 SER 2 1HB SER 2 9.026 -20.063 0.608
7 HB3 SER 2 2HB SER 2 10.329 -19.873 1.780
8 HG SER 2 HG SER 2 10.887 -19.114 -0.325
9 H SER 3 H SER 3 8.652 -24.031 0.988
10 HA SER 3 HA SER 3 8.887 -24.207 -1.938
11 HB2 SER 3 1HB SER 3 8.464 -26.588 -1.706
12 HB3 SER 3 2HB SER 3 9.771 -26.126 -0.617
13 HG SER 3 HG SER 3 7.996 -25.919 0.999
14 H GLY 4 H GLY 4 6.964 -25.318 -3.003
15 HA2 GLY 4 1HA GLY 4 4.735 -25.308 -3.555
16 HA3 GLY 4 2HA GLY 4 4.398 -25.218 -1.832
17 H SER 5 H SER 5 3.637 -23.763 -4.559
18 HA SER 5 HA SER 5 3.513 -21.098 -3.310
19 HB2 SER 5 1HB SER 5 4.046 -21.780 -6.207
20 HB3 SER 5 2HB SER 5 3.622 -20.161 -5.652
21 HG SER 5 HG SER 5 5.935 -20.656 -5.844
22 H SER 6 H SER 6 1.429 -21.604 -2.519
23 HA SER 6 HA SER 6 -0.654 -21.543 -4.599
24 HB2 SER 6 1HB SER 6 -0.768 -23.762 -3.769
25 HB3 SER 6 2HB SER 6 -0.549 -23.233 -2.101
26 HG SER 6 HG SER 6 -2.731 -22.131 -3.357
27 H GLY 7 H GLY 7 -1.411 -19.518 -4.483
28 HA2 GLY 7 1HA GLY 7 -2.226 -17.550 -3.611
29 HA3 GLY 7 2HA GLY 7 -3.079 -18.612 -2.501
30 H SER 8 H SER 8 0.366 -17.788 -2.862
31 HA SER 8 HA SER 8 0.761 -17.663 -0.047
32 HB2 SER 8 1HB SER 8 2.523 -18.234 -1.771
33 HB3 SER 8 2HB SER 8 2.581 -16.517 -2.172
34 HG SER 8 HG SER 8 4.033 -17.577 -0.415
35 H GLY 9 H GLY 9 -0.769 -16.148 0.707
36 HA2 GLY 9 1HA GLY 9 -1.645 -14.049 1.136
37 HA3 GLY 9 2HA GLY 9 0.055 -13.652 1.342
38 H GLU 10 H GLU 10 -2.462 -13.950 -1.148
39 HA GLU 10 HA GLU 10 -1.005 -12.069 -2.842
40 HB2 GLU 10 1HB GLU 10 -1.956 -14.125 -3.845
41 HB3 GLU 10 2HB GLU 10 -3.565 -13.579 -3.394
42 HG2 GLU 10 1HG GLU 10 -3.442 -12.960 -5.602
43 HG3 GLU 10 2HG GLU 10 -2.972 -11.475 -4.777
44 H LYS 11 H LYS 11 -1.932 -10.142 -3.621
45 HA LYS 11 HA LYS 11 -4.348 -9.198 -2.254
46 HB2 LYS 11 1HB LYS 11 -1.607 -8.054 -2.063
47 HB3 LYS 11 2HB LYS 11 -2.948 -6.922 -2.181
48 HG2 LYS 11 1HG LYS 11 -3.781 -7.476 -0.132
49 HG3 LYS 11 2HG LYS 11 -3.142 -9.120 -0.193
50 HD2 LYS 11 1HD LYS 11 -0.829 -7.832 -0.137
51 HD3 LYS 11 2HD LYS 11 -1.816 -6.587 0.633
52 HE2 LYS 11 1HE LYS 11 -2.236 -7.871 2.481
53 HE3 LYS 11 2HE LYS 11 -2.077 -9.388 1.597
54 HZ1 LYS 11 3HZ LYS 11 0.407 -8.452 1.429
55 HZ2 LYS 11 1HZ LYS 11 -0.122 -9.467 2.675
56 HZ3 LYS 11 2HZ LYS 11 -0.046 -7.795 2.921
57 HA PRO 12 HA PRO 12 -5.463 -7.506 -6.148
58 HB2 PRO 12 1HB PRO 12 -6.854 -5.298 -5.401
59 HB3 PRO 12 2HB PRO 12 -7.477 -6.939 -5.198
60 HG2 PRO 12 1HG PRO 12 -6.172 -5.146 -3.187
61 HG3 PRO 12 2HG PRO 12 -7.597 -6.185 -3.001
62 HD2 PRO 12 1HD PRO 12 -5.144 -6.902 -2.106
63 HD3 PRO 12 2HD PRO 12 -6.327 -8.085 -2.700
64 H PHE 13 H PHE 13 -3.470 -5.754 -3.981
65 HA PHE 13 HA PHE 13 -2.227 -4.344 -6.166
66 HB2 PHE 13 1HB PHE 13 -3.499 -2.772 -3.915
67 HB3 PHE 13 2HB PHE 13 -2.480 -2.105 -5.187
68 HD1 PHE 13 HD2 PHE 13 -5.769 -3.476 -4.373
69 HD2 PHE 13 HD1 PHE 13 -3.317 -1.816 -7.430
70 HE1 PHE 13 HE2 PHE 13 -7.759 -3.138 -5.781
71 HE2 PHE 13 HE1 PHE 13 -5.302 -1.473 -8.842
72 HZ PHE 13 HZ PHE 13 -7.527 -2.136 -8.019
73 H LYS 14 H LYS 14 -0.180 -4.883 -5.803
74 HA LYS 14 HA LYS 14 0.914 -4.453 -3.106
75 HB2 LYS 14 1HB LYS 14 2.485 -6.421 -3.721
76 HB3 LYS 14 2HB LYS 14 0.857 -6.778 -3.160
77 HG2 LYS 14 1HG LYS 14 0.116 -7.154 -5.427
78 HG3 LYS 14 2HG LYS 14 1.699 -6.684 -6.050
79 HD2 LYS 14 1HD LYS 14 2.607 -8.585 -4.567
80 HD3 LYS 14 2HD LYS 14 0.932 -9.140 -4.506
81 HE2 LYS 14 1HE LYS 14 2.447 -8.617 -7.059
82 HE3 LYS 14 2HE LYS 14 2.324 -10.201 -6.294
83 HZ1 LYS 14 3HZ LYS 14 -0.171 -8.776 -6.793
84 HZ2 LYS 14 1HZ LYS 14 0.171 -10.429 -6.900
85 HZ3 LYS 14 2HZ LYS 14 0.640 -9.387 -8.146
86 H CYS 15 H CYS 15 3.131 -3.861 -3.019
87 HA CYS 15 HA CYS 15 3.943 -2.088 -5.054
88 HB2 CYS 15 1HB CYS 15 4.588 -1.926 -2.639
89 HB3 CYS 15 2HB CYS 15 5.675 -3.289 -2.886
90 H GLU 16 H GLU 16 5.639 -2.206 -6.543
91 HA GLU 16 HA GLU 16 6.176 -4.901 -7.504
92 HB2 GLU 16 1HB GLU 16 6.543 -3.984 -9.570
93 HB3 GLU 16 2HB GLU 16 5.482 -2.757 -8.892
94 HG2 GLU 16 1HG GLU 16 7.391 -1.377 -8.328
95 HG3 GLU 16 2HG GLU 16 8.488 -2.620 -8.928
96 H GLU 17 H GLU 17 7.729 -2.399 -5.758
97 HA GLU 17 HA GLU 17 10.424 -3.117 -6.426
98 HB2 GLU 17 1HB GLU 17 9.189 -1.364 -4.316
99 HB3 GLU 17 2HB GLU 17 10.913 -1.707 -4.325
100 HG2 GLU 17 1HG GLU 17 9.531 -0.616 -6.746
101 HG3 GLU 17 2HG GLU 17 10.092 0.439 -5.449
102 H CYS 18 H CYS 18 8.612 -3.358 -3.359
103 HA CYS 18 HA CYS 18 10.364 -5.577 -2.577
104 HB2 CYS 18 1HB CYS 18 9.342 -5.189 -0.294
105 HB3 CYS 18 2HB CYS 18 10.325 -3.868 -0.919
106 H GLY 19 H GLY 19 6.914 -4.676 -2.531
107 HA2 GLY 19 1HA GLY 19 5.438 -6.406 -3.596
108 HA3 GLY 19 2HA GLY 19 6.280 -7.563 -2.575
109 H LYS 20 H LYS 20 5.610 -4.455 -1.251
110 HA LYS 20 HA LYS 20 4.355 -5.275 1.018
111 HB2 LYS 20 1HB LYS 20 5.018 -2.867 0.055
112 HB3 LYS 20 2HB LYS 20 3.281 -2.787 -0.205
113 HG2 LYS 20 1HG LYS 20 3.300 -1.955 1.884
114 HG3 LYS 20 2HG LYS 20 3.310 -3.664 2.328
115 HD2 LYS 20 1HD LYS 20 5.549 -3.640 2.889
116 HD3 LYS 20 2HD LYS 20 5.900 -2.252 1.856
117 HE2 LYS 20 1HE LYS 20 6.021 -1.600 4.183
118 HE3 LYS 20 2HE LYS 20 4.646 -0.811 3.411
119 HZ1 LYS 20 3HZ LYS 20 4.222 -1.785 5.667
120 HZ2 LYS 20 1HZ LYS 20 4.389 -3.318 4.969
121 HZ3 LYS 20 2HZ LYS 20 3.153 -2.285 4.454
122 H GLY 21 H GLY 21 2.028 -4.869 1.680
123 HA2 GLY 21 1HA GLY 21 0.240 -5.917 -0.428
124 HA3 GLY 21 2HA GLY 21 0.118 -6.372 1.265
125 H PHE 22 H PHE 22 -1.479 -4.745 -0.954
126 HA PHE 22 HA PHE 22 -2.617 -2.897 1.007
127 HB2 PHE 22 1HB PHE 22 -2.021 -2.024 -1.822
128 HB3 PHE 22 2HB PHE 22 -2.621 -1.032 -0.498
129 HD1 PHE 22 HD1 PHE 22 -1.044 -0.970 1.618
130 HD2 PHE 22 HD2 PHE 22 0.213 -1.927 -2.334
131 HE1 PHE 22 HE1 PHE 22 1.265 -0.359 2.208
132 HE2 PHE 22 HE2 PHE 22 2.524 -1.318 -1.750
133 HZ PHE 22 HZ PHE 22 3.053 -0.534 0.523
134 H TYR 23 H TYR 23 -4.774 -2.157 0.437
135 HA TYR 23 HA TYR 23 -6.190 -4.175 -1.158
136 HB2 TYR 23 1HB TYR 23 -6.886 -2.561 1.241
137 HB3 TYR 23 2HB TYR 23 -8.191 -2.939 0.121
138 HD1 TYR 23 HD1 TYR 23 -5.456 -5.310 0.414
139 HD2 TYR 23 HD2 TYR 23 -9.285 -4.232 1.925
140 HE1 TYR 23 HE1 TYR 23 -5.676 -7.539 1.429
141 HE2 TYR 23 HE2 TYR 23 -9.515 -6.459 2.945
142 HH TYR 23 HH TYR 23 -8.568 -8.773 2.545
143 H THR 24 H THR 24 -5.644 -0.741 -0.817
144 HA THR 24 HA THR 24 -7.391 -0.237 -3.134
145 HB THR 24 HB THR 24 -7.380 2.131 -2.455
146 HG1 THR 24 HG1 THR 24 -6.206 1.420 0.005
147 HG21 THR 24 3HG2 THR 24 -8.485 -0.056 -0.876
148 HG22 THR 24 1HG2 THR 24 -9.255 1.422 -1.451
149 HG23 THR 24 2HG2 THR 24 -8.320 1.439 0.045
150 H ASN 25 H ASN 25 -6.622 0.873 -4.912
151 HA ASN 25 HA ASN 25 -3.934 0.509 -5.610
152 HB2 ASN 25 1HB ASN 25 -5.917 0.803 -7.173
153 HB3 ASN 25 2HB ASN 25 -5.784 2.534 -6.874
154 HD21 ASN 25 1HD2 ASN 25 -5.574 1.699 -9.399
155 HD22 ASN 25 2HD2 ASN 25 -3.942 1.806 -9.956
156 H SER 26 H SER 26 -5.670 3.487 -4.717
157 HA SER 26 HA SER 26 -3.725 5.365 -4.963
158 HB2 SER 26 1HB SER 26 -5.973 5.008 -3.043
159 HB3 SER 26 2HB SER 26 -4.781 6.254 -2.672
160 HG SER 26 HG SER 26 -6.332 7.205 -3.928
161 H GLN 27 H GLN 27 -4.172 3.237 -2.148
162 HA GLN 27 HA GLN 27 -2.007 4.203 -0.650
163 HB2 GLN 27 1HB GLN 27 -3.648 1.719 -0.641
164 HB3 GLN 27 2HB GLN 27 -2.133 1.700 0.252
165 HG2 GLN 27 1HG GLN 27 -4.094 2.290 1.631
166 HG3 GLN 27 2HG GLN 27 -2.839 3.528 1.620
167 HE21 GLN 27 1HE2 GLN 27 -6.083 2.985 1.376
168 HE22 GLN 27 2HE2 GLN 27 -6.560 4.457 0.608
169 H CYS 28 H CYS 28 -2.213 1.384 -2.815
170 HA CYS 28 HA CYS 28 0.333 0.396 -2.577
171 HB2 CYS 28 1HB CYS 28 -1.334 -0.732 -3.919
172 HB3 CYS 28 2HB CYS 28 -1.372 0.602 -5.064
173 HG CYS 28 HG CYS 28 0.216 -2.057 -5.481
174 H TYR 29 H TYR 29 -0.754 3.067 -4.634
175 HA TYR 29 HA TYR 29 1.749 3.523 -5.874
176 HB2 TYR 29 1HB TYR 29 -0.644 4.363 -6.513
177 HB3 TYR 29 2HB TYR 29 -0.255 5.715 -5.456
178 HD1 TYR 29 HD2 TYR 29 2.375 6.504 -5.954
179 HD2 TYR 29 HD1 TYR 29 -0.393 4.869 -8.741
180 HE1 TYR 29 HE2 TYR 29 3.591 7.596 -7.792
181 HE2 TYR 29 HE1 TYR 29 0.815 5.956 -10.587
182 HH TYR 29 HH TYR 29 3.602 6.841 -10.693
183 H SER 30 H SER 30 0.142 5.050 -3.100
184 HA SER 30 HA SER 30 1.897 7.056 -2.496
185 HB2 SER 30 1HB SER 30 -0.250 6.401 -1.272
186 HB3 SER 30 2HB SER 30 0.742 5.266 -0.357
187 HG SER 30 HG SER 30 2.088 7.388 -0.127
188 H HIS 31 H HIS 31 2.098 3.739 -1.197
189 HA HIS 31 HA HIS 31 4.531 4.019 0.122
190 HB2 HIS 31 1HB HIS 31 3.357 2.071 0.645
191 HB3 HIS 31 2HB HIS 31 3.081 1.666 -1.046
192 HD1 HIS 31 HD1 HIS 31 5.433 1.144 1.745
193 HD2 HIS 31 HD2 HIS 31 5.341 0.491 -2.357
194 HE1 HIS 31 HE1 HIS 31 7.332 -0.435 1.273
195 H GLN 32 H GLN 32 3.934 2.742 -3.152
196 HA GLN 32 HA GLN 32 6.371 2.063 -4.030
197 HB2 GLN 32 1HB GLN 32 4.080 2.461 -5.301
198 HB3 GLN 32 2HB GLN 32 4.881 3.945 -5.800
199 HG2 GLN 32 1HG GLN 32 6.715 2.657 -6.744
200 HG3 GLN 32 2HG GLN 32 5.945 1.161 -6.217
201 HE21 GLN 32 1HE2 GLN 32 4.785 0.149 -7.681
202 HE22 GLN 32 2HE2 GLN 32 4.058 0.859 -9.078
203 H ARG 33 H ARG 33 5.210 5.433 -4.023
204 HA ARG 33 HA ARG 33 7.348 6.761 -5.029
205 HB2 ARG 33 1HB ARG 33 5.796 7.598 -2.572
206 HB3 ARG 33 2HB ARG 33 6.741 8.662 -3.605
207 HG2 ARG 33 1HG ARG 33 5.220 8.007 -5.494
208 HG3 ARG 33 2HG ARG 33 4.206 7.204 -4.294
209 HD2 ARG 33 1HD ARG 33 4.929 10.131 -4.380
210 HD3 ARG 33 2HD ARG 33 3.355 9.425 -4.744
211 HE ARG 33 HE ARG 33 4.323 8.833 -2.099
212 HH11 ARG 33 1HH1 ARG 33 2.553 11.086 -4.077
213 HH12 ARG 33 2HH1 ARG 33 1.660 11.750 -2.750
214 HH21 ARG 33 1HH2 ARG 33 3.153 9.700 -0.343
215 HH22 ARG 33 2HH2 ARG 33 2.002 10.962 -0.626
216 H SER 34 H SER 34 7.024 5.604 -1.690
217 HA SER 34 HA SER 34 9.187 6.626 -0.445
218 HB2 SER 34 1HB SER 34 7.750 5.089 0.719
219 HB3 SER 34 2HB SER 34 8.205 3.767 -0.355
220 HG SER 34 HG SER 34 10.300 5.008 0.949
221 H HIS 35 H HIS 35 9.284 3.727 -2.513
222 HA HIS 35 HA HIS 35 12.028 3.255 -2.354
223 HB2 HIS 35 1HB HIS 35 10.017 2.651 -4.520
224 HB3 HIS 35 2HB HIS 35 11.694 2.123 -4.615
225 HD1 HIS 35 HD1 HIS 35 12.477 0.472 -2.639
226 HD2 HIS 35 HD2 HIS 35 8.381 1.021 -3.067
227 HE1 HIS 35 HE1 HIS 35 11.409 -1.427 -1.383
228 H SER 36 H SER 36 13.789 4.047 -3.379
229 HA SER 36 HA SER 36 13.348 6.221 -5.321
230 HB2 SER 36 1HB SER 36 15.279 6.019 -3.024
231 HB3 SER 36 2HB SER 36 15.625 7.064 -4.402
232 HG SER 36 HG SER 36 14.334 8.452 -3.524
233 H GLY 37 H GLY 37 13.659 5.047 -7.177
234 HA2 GLY 37 1HA GLY 37 15.158 4.484 -8.903
235 HA3 GLY 37 2HA GLY 37 16.419 4.254 -7.701
236 H GLU 38 H GLU 38 15.984 2.450 -9.779
237 HA GLU 38 HA GLU 38 14.583 0.188 -8.565
238 HB2 GLU 38 1HB GLU 38 14.145 0.751 -10.944
239 HB3 GLU 38 2HB GLU 38 15.833 0.423 -11.308
240 HG2 GLU 38 1HG GLU 38 14.577 -1.485 -11.939
241 HG3 GLU 38 2HG GLU 38 15.484 -1.904 -10.487
242 H LYS 39 H LYS 39 15.577 -1.769 -8.111
243 HA LYS 39 HA LYS 39 18.475 -1.960 -8.424
244 HB2 LYS 39 1HB LYS 39 17.000 -1.878 -5.818
245 HB3 LYS 39 2HB LYS 39 18.451 -2.862 -5.959
246 HG2 LYS 39 1HG LYS 39 19.498 -0.673 -6.916
247 HG3 LYS 39 2HG LYS 39 18.149 0.101 -6.082
248 HD2 LYS 39 1HD LYS 39 18.956 -1.442 -4.093
249 HD3 LYS 39 2HD LYS 39 20.486 -1.373 -4.970
250 HE2 LYS 39 1HE LYS 39 18.944 1.121 -4.343
251 HE3 LYS 39 2HE LYS 39 20.017 0.393 -3.149
252 HZ1 LYS 39 3HZ LYS 39 20.832 1.237 -5.878
253 HZ2 LYS 39 1HZ LYS 39 21.849 0.608 -4.681
254 HZ3 LYS 39 2HZ LYS 39 21.118 2.118 -4.462
255 HA PRO 40 HA PRO 40 17.647 -6.183 -9.294
256 HB2 PRO 40 1HB PRO 40 19.943 -7.354 -8.440
257 HB3 PRO 40 2HB PRO 40 19.855 -6.365 -9.903
258 HG2 PRO 40 1HG PRO 40 20.808 -5.617 -7.166
259 HG3 PRO 40 2HG PRO 40 21.518 -5.226 -8.743
260 HD2 PRO 40 1HD PRO 40 20.013 -3.461 -7.345
261 HD3 PRO 40 2HD PRO 40 20.041 -3.497 -9.120
262 H SER 41 H SER 41 17.546 -8.370 -8.305
263 HA SER 41 HA SER 41 16.793 -8.156 -5.472
264 HB2 SER 41 1HB SER 41 15.776 -9.770 -7.763
265 HB3 SER 41 2HB SER 41 15.692 -10.488 -6.154
266 HG SER 41 HG SER 41 14.270 -9.007 -5.543
267 H GLY 42 H GLY 42 18.149 -10.588 -7.711
268 HA2 GLY 42 1HA GLY 42 20.411 -11.435 -7.128
269 HA3 GLY 42 2HA GLY 42 19.835 -11.524 -5.470
270 HA PRO 43 HA PRO 43 18.853 -15.417 -8.142
271 HB2 PRO 43 1HB PRO 43 21.132 -16.864 -7.854
272 HB3 PRO 43 2HB PRO 43 20.856 -15.766 -9.212
273 HG2 PRO 43 1HG PRO 43 22.425 -15.317 -6.702
274 HG3 PRO 43 2HG PRO 43 22.835 -14.881 -8.371
275 HD2 PRO 43 1HD PRO 43 21.851 -13.088 -6.596
276 HD3 PRO 43 2HD PRO 43 21.511 -12.995 -8.337
277 H SER 44 H SER 44 19.913 -14.545 -5.062
278 HA SER 44 HA SER 44 20.106 -16.899 -3.640
279 HB2 SER 44 1HB SER 44 18.704 -14.405 -2.656
280 HB3 SER 44 2HB SER 44 19.501 -15.634 -1.674
281 HG SER 44 HG SER 44 21.382 -14.774 -2.115
282 H SER 45 H SER 45 18.702 -18.469 -4.435
283 HA SER 45 HA SER 45 16.125 -18.535 -3.197
284 HB2 SER 45 1HB SER 45 16.300 -18.248 -6.201
285 HB3 SER 45 2HB SER 45 14.874 -18.869 -5.371
286 HG SER 45 HG SER 45 14.354 -16.902 -4.875
287 H GLY 46 H GLY 46 15.860 -20.567 -2.565
288 HA2 GLY 46 1HA GLY 46 16.410 -22.772 -4.357
289 HA3 GLY 46 2HA GLY 46 17.482 -22.684 -2.967
Start of MODEL 11
1 H1 GLY 1 H GLY 1 8.341 -25.819 -8.036
2 HA2 GLY 1 1HA GLY 1 9.333 -23.521 -6.590
3 HA3 GLY 1 2HA GLY 1 8.217 -23.500 -7.947
4 H SER 2 H SER 2 6.120 -23.145 -7.556
5 HA SER 2 HA SER 2 5.210 -22.229 -5.103
6 HB2 SER 2 1HB SER 2 3.836 -23.182 -7.589
7 HB3 SER 2 2HB SER 2 2.875 -22.826 -6.154
8 HG SER 2 HG SER 2 3.895 -20.732 -6.158
9 H SER 3 H SER 3 4.593 -25.400 -6.606
10 HA SER 3 HA SER 3 3.905 -27.389 -5.736
11 HB2 SER 3 1HB SER 3 5.469 -26.352 -3.361
12 HB3 SER 3 2HB SER 3 4.918 -28.016 -3.546
13 HG SER 3 HG SER 3 7.162 -27.095 -4.377
14 H GLY 4 H GLY 4 1.975 -25.397 -5.615
15 HA2 GLY 4 1HA GLY 4 -0.057 -24.941 -4.651
16 HA3 GLY 4 2HA GLY 4 0.113 -26.487 -3.834
17 H SER 5 H SER 5 2.133 -23.594 -3.522
18 HA SER 5 HA SER 5 2.174 -23.755 -0.696
19 HB2 SER 5 1HB SER 5 3.163 -21.818 -2.737
20 HB3 SER 5 2HB SER 5 3.042 -21.263 -1.067
21 HG SER 5 HG SER 5 4.808 -23.020 -2.211
22 H SER 6 H SER 6 0.055 -23.748 0.059
23 HA SER 6 HA SER 6 -1.717 -21.556 -0.576
24 HB2 SER 6 1HB SER 6 -3.360 -22.706 0.684
25 HB3 SER 6 2HB SER 6 -2.430 -23.973 -0.116
26 HG SER 6 HG SER 6 -1.740 -24.648 1.759
27 H GLY 7 H GLY 7 -2.677 -20.181 1.076
28 HA2 GLY 7 1HA GLY 7 -2.263 -19.703 3.611
29 HA3 GLY 7 2HA GLY 7 -0.645 -19.349 3.021
30 H SER 8 H SER 8 -2.542 -17.574 4.342
31 HA SER 8 HA SER 8 -3.592 -15.792 2.352
32 HB2 SER 8 1HB SER 8 -3.394 -15.749 5.347
33 HB3 SER 8 2HB SER 8 -3.825 -14.278 4.474
34 HG SER 8 HG SER 8 -5.165 -16.773 4.266
35 H GLY 9 H GLY 9 -2.591 -14.158 1.367
36 HA2 GLY 9 1HA GLY 9 -0.644 -12.497 2.531
37 HA3 GLY 9 2HA GLY 9 0.174 -13.734 1.588
38 H GLU 10 H GLU 10 -1.377 -14.039 -0.596
39 HA GLU 10 HA GLU 10 -0.635 -11.941 -2.250
40 HB2 GLU 10 1HB GLU 10 -1.257 -14.224 -3.014
41 HB3 GLU 10 2HB GLU 10 -2.943 -13.842 -2.693
42 HG2 GLU 10 1HG GLU 10 -2.799 -13.466 -4.949
43 HG3 GLU 10 2HG GLU 10 -2.530 -11.849 -4.301
44 H LYS 11 H LYS 11 -1.663 -10.157 -3.089
45 HA LYS 11 HA LYS 11 -4.306 -9.479 -2.002
46 HB2 LYS 11 1HB LYS 11 -1.758 -7.968 -1.717
47 HB3 LYS 11 2HB LYS 11 -3.222 -7.037 -2.007
48 HG2 LYS 11 1HG LYS 11 -4.147 -7.599 0.012
49 HG3 LYS 11 2HG LYS 11 -3.235 -9.106 0.134
50 HD2 LYS 11 1HD LYS 11 -1.173 -7.761 0.483
51 HD3 LYS 11 2HD LYS 11 -2.172 -6.306 0.502
52 HE2 LYS 11 1HE LYS 11 -3.356 -7.091 2.449
53 HE3 LYS 11 2HE LYS 11 -2.514 -8.638 2.384
54 HZ1 LYS 11 3HZ LYS 11 -0.425 -7.432 2.775
55 HZ2 LYS 11 1HZ LYS 11 -1.523 -7.241 4.048
56 HZ3 LYS 11 2HZ LYS 11 -1.292 -5.988 2.936
57 HA PRO 12 HA PRO 12 -5.350 -8.152 -6.051
58 HB2 PRO 12 1HB PRO 12 -6.938 -6.005 -5.562
59 HB3 PRO 12 2HB PRO 12 -7.447 -7.668 -5.246
60 HG2 PRO 12 1HG PRO 12 -6.385 -5.617 -3.341
61 HG3 PRO 12 2HG PRO 12 -7.736 -6.746 -3.131
62 HD2 PRO 12 1HD PRO 12 -5.286 -7.192 -2.067
63 HD3 PRO 12 2HD PRO 12 -6.346 -8.509 -2.609
64 H PHE 13 H PHE 13 -3.635 -6.050 -3.947
65 HA PHE 13 HA PHE 13 -2.398 -4.729 -6.199
66 HB2 PHE 13 1HB PHE 13 -3.978 -3.171 -4.146
67 HB3 PHE 13 2HB PHE 13 -2.816 -2.442 -5.250
68 HD1 PHE 13 HD2 PHE 13 -6.003 -4.308 -5.084
69 HD2 PHE 13 HD1 PHE 13 -3.409 -1.911 -7.459
70 HE1 PHE 13 HE2 PHE 13 -7.766 -4.093 -6.787
71 HE2 PHE 13 HE1 PHE 13 -5.167 -1.691 -9.165
72 HZ PHE 13 HZ PHE 13 -7.349 -2.784 -8.831
73 H LYS 14 H LYS 14 -0.328 -5.069 -5.742
74 HA LYS 14 HA LYS 14 0.647 -4.343 -3.066
75 HB2 LYS 14 1HB LYS 14 2.271 -6.257 -3.247
76 HB3 LYS 14 2HB LYS 14 0.592 -6.726 -3.017
77 HG2 LYS 14 1HG LYS 14 1.151 -8.177 -4.666
78 HG3 LYS 14 2HG LYS 14 0.640 -6.814 -5.663
79 HD2 LYS 14 1HD LYS 14 2.874 -6.156 -6.074
80 HD3 LYS 14 2HD LYS 14 3.497 -7.214 -4.806
81 HE2 LYS 14 1HE LYS 14 3.985 -8.446 -6.682
82 HE3 LYS 14 2HE LYS 14 2.402 -9.096 -6.259
83 HZ1 LYS 14 3HZ LYS 14 1.912 -8.631 -8.376
84 HZ2 LYS 14 1HZ LYS 14 3.204 -7.554 -8.562
85 HZ3 LYS 14 2HZ LYS 14 1.760 -7.029 -7.854
86 H CYS 15 H CYS 15 2.976 -3.878 -3.012
87 HA CYS 15 HA CYS 15 3.726 -2.098 -5.062
88 HB2 CYS 15 1HB CYS 15 4.495 -1.943 -2.701
89 HB3 CYS 15 2HB CYS 15 5.504 -3.361 -2.967
90 H GLU 16 H GLU 16 5.434 -2.216 -6.574
91 HA GLU 16 HA GLU 16 5.838 -4.906 -7.626
92 HB2 GLU 16 1HB GLU 16 6.149 -3.955 -9.685
93 HB3 GLU 16 2HB GLU 16 5.154 -2.711 -8.942
94 HG2 GLU 16 1HG GLU 16 6.783 -1.388 -9.772
95 HG3 GLU 16 2HG GLU 16 7.530 -1.778 -8.225
96 H GLU 17 H GLU 17 7.558 -2.384 -6.011
97 HA GLU 17 HA GLU 17 10.189 -3.184 -6.754
98 HB2 GLU 17 1HB GLU 17 9.083 -1.458 -4.552
99 HB3 GLU 17 2HB GLU 17 10.798 -1.834 -4.647
100 HG2 GLU 17 1HG GLU 17 9.183 -0.471 -6.791
101 HG3 GLU 17 2HG GLU 17 10.271 0.326 -5.656
102 H CYS 18 H CYS 18 8.454 -3.498 -3.650
103 HA CYS 18 HA CYS 18 10.192 -5.777 -2.998
104 HB2 CYS 18 1HB CYS 18 9.337 -5.402 -0.650
105 HB3 CYS 18 2HB CYS 18 10.318 -4.097 -1.309
106 H GLY 19 H GLY 19 6.792 -4.736 -2.729
107 HA2 GLY 19 1HA GLY 19 5.256 -6.476 -3.790
108 HA3 GLY 19 2HA GLY 19 6.025 -7.584 -2.663
109 H LYS 20 H LYS 20 5.761 -4.562 -1.266
110 HA LYS 20 HA LYS 20 4.287 -5.155 0.887
111 HB2 LYS 20 1HB LYS 20 5.309 -2.890 0.142
112 HB3 LYS 20 2HB LYS 20 3.712 -2.562 -0.519
113 HG2 LYS 20 1HG LYS 20 3.450 -1.633 1.530
114 HG3 LYS 20 2HG LYS 20 2.964 -3.285 1.917
115 HD2 LYS 20 1HD LYS 20 5.546 -3.568 2.382
116 HD3 LYS 20 2HD LYS 20 5.463 -1.820 2.614
117 HE2 LYS 20 1HE LYS 20 5.133 -2.778 4.747
118 HE3 LYS 20 2HE LYS 20 3.542 -2.253 4.199
119 HZ1 LYS 20 3HZ LYS 20 3.859 -4.857 3.316
120 HZ2 LYS 20 1HZ LYS 20 2.839 -4.308 4.550
121 HZ3 LYS 20 2HZ LYS 20 4.400 -4.846 4.919
122 H GLY 21 H GLY 21 2.166 -5.356 1.509
123 HA2 GLY 21 1HA GLY 21 0.285 -5.924 -0.644
124 HA3 GLY 21 2HA GLY 21 0.067 -6.304 1.058
125 H PHE 22 H PHE 22 -1.701 -4.954 -0.923
126 HA PHE 22 HA PHE 22 -2.488 -2.760 0.803
127 HB2 PHE 22 1HB PHE 22 -2.013 -2.272 -2.143
128 HB3 PHE 22 2HB PHE 22 -2.566 -1.096 -0.955
129 HD1 PHE 22 HD1 PHE 22 -0.965 -0.633 1.028
130 HD2 PHE 22 HD2 PHE 22 0.235 -2.433 -2.638
131 HE1 PHE 22 HE1 PHE 22 1.367 0.008 1.480
132 HE2 PHE 22 HE2 PHE 22 2.568 -1.796 -2.191
133 HZ PHE 22 HZ PHE 22 3.137 -0.575 -0.129
134 H TYR 23 H TYR 23 -4.527 -1.660 -0.346
135 HA TYR 23 HA TYR 23 -6.205 -3.827 -1.424
136 HB2 TYR 23 1HB TYR 23 -6.994 -1.774 0.653
137 HB3 TYR 23 2HB TYR 23 -8.097 -2.919 -0.103
138 HD1 TYR 23 HD1 TYR 23 -6.564 -5.403 -0.092
139 HD2 TYR 23 HD2 TYR 23 -6.853 -2.381 2.889
140 HE1 TYR 23 HE1 TYR 23 -6.026 -7.067 1.638
141 HE2 TYR 23 HE2 TYR 23 -6.315 -4.036 4.627
142 HH TYR 23 HH TYR 23 -5.136 -6.241 4.768
143 H THR 24 H THR 24 -5.449 -0.418 -1.310
144 HA THR 24 HA THR 24 -7.141 -0.012 -3.690
145 HB THR 24 HB THR 24 -7.441 2.328 -3.022
146 HG1 THR 24 HG1 THR 24 -5.681 1.545 -0.993
147 HG21 THR 24 3HG2 THR 24 -9.228 1.860 -1.722
148 HG22 THR 24 1HG2 THR 24 -8.264 0.983 -0.534
149 HG23 THR 24 2HG2 THR 24 -8.769 0.185 -2.024
150 H ASN 25 H ASN 25 -6.198 0.862 -5.449
151 HA ASN 25 HA ASN 25 -3.550 0.783 -5.973
152 HB2 ASN 25 1HB ASN 25 -3.943 2.474 -7.758
153 HB3 ASN 25 2HB ASN 25 -5.163 1.205 -7.727
154 HD21 ASN 25 1HD2 ASN 25 -4.576 4.522 -7.646
155 HD22 ASN 25 2HD2 ASN 25 -6.185 5.051 -7.305
156 H SER 26 H SER 26 -5.273 3.668 -4.801
157 HA SER 26 HA SER 26 -3.230 5.486 -4.721
158 HB2 SER 26 1HB SER 26 -5.574 5.989 -4.104
159 HB3 SER 26 2HB SER 26 -5.345 5.127 -2.583
160 HG SER 26 HG SER 26 -5.007 7.581 -2.777
161 H GLN 27 H GLN 27 -4.058 3.150 -2.167
162 HA GLN 27 HA GLN 27 -2.033 3.846 -0.373
163 HB2 GLN 27 1HB GLN 27 -3.667 1.385 -0.830
164 HB3 GLN 27 2HB GLN 27 -2.307 1.308 0.282
165 HG2 GLN 27 1HG GLN 27 -3.266 2.818 1.760
166 HG3 GLN 27 2HG GLN 27 -4.374 3.451 0.545
167 HE21 GLN 27 1HE2 GLN 27 -5.686 2.987 2.638
168 HE22 GLN 27 2HE2 GLN 27 -6.509 1.468 2.655
169 H CYS 28 H CYS 28 -2.059 1.393 -2.942
170 HA CYS 28 HA CYS 28 0.476 0.327 -2.500
171 HB2 CYS 28 1HB CYS 28 -1.020 -0.787 -3.999
172 HB3 CYS 28 2HB CYS 28 -1.126 0.627 -5.041
173 HG CYS 28 HG CYS 28 1.272 -1.739 -4.879
174 H TYR 29 H TYR 29 -0.515 3.118 -4.435
175 HA TYR 29 HA TYR 29 2.066 3.658 -5.489
176 HB2 TYR 29 1HB TYR 29 -0.080 4.480 -6.475
177 HB3 TYR 29 2HB TYR 29 -0.227 5.596 -5.122
178 HD1 TYR 29 HD2 TYR 29 2.036 7.032 -4.739
179 HD2 TYR 29 HD1 TYR 29 0.755 5.353 -8.432
180 HE1 TYR 29 HE2 TYR 29 3.387 8.690 -5.955
181 HE2 TYR 29 HE1 TYR 29 2.103 7.005 -9.658
182 HH TYR 29 HH TYR 29 4.248 9.238 -7.975
183 H SER 30 H SER 30 0.209 5.111 -2.824
184 HA SER 30 HA SER 30 1.857 7.087 -1.975
185 HB2 SER 30 1HB SER 30 -0.333 6.269 -0.924
186 HB3 SER 30 2HB SER 30 0.663 5.147 0.003
187 HG SER 30 HG SER 30 0.358 7.874 0.263
188 H HIS 31 H HIS 31 2.328 3.633 -1.498
189 HA HIS 31 HA HIS 31 4.694 4.022 0.118
190 HB2 HIS 31 1HB HIS 31 3.611 2.089 0.779
191 HB3 HIS 31 2HB HIS 31 3.146 1.661 -0.865
192 HD1 HIS 31 HD1 HIS 31 5.741 1.094 1.681
193 HD2 HIS 31 HD2 HIS 31 5.253 0.438 -2.392
194 HE1 HIS 31 HE1 HIS 31 7.548 -0.534 1.041
195 H GLN 32 H GLN 32 3.939 2.859 -3.148
196 HA GLN 32 HA GLN 32 6.394 2.082 -4.047
197 HB2 GLN 32 1HB GLN 32 4.047 3.361 -5.350
198 HB3 GLN 32 2HB GLN 32 5.543 3.296 -6.271
199 HG2 GLN 32 1HG GLN 32 4.598 0.807 -4.959
200 HG3 GLN 32 2HG GLN 32 3.746 1.375 -6.394
201 HE21 GLN 32 1HE2 GLN 32 4.409 0.328 -8.116
202 HE22 GLN 32 2HE2 GLN 32 6.038 -0.112 -8.482
203 H ARG 33 H ARG 33 5.131 5.413 -4.132
204 HA ARG 33 HA ARG 33 7.349 6.656 -5.237
205 HB2 ARG 33 1HB ARG 33 6.438 8.692 -4.506
206 HB3 ARG 33 2HB ARG 33 5.044 7.637 -4.696
207 HG2 ARG 33 1HG ARG 33 4.757 7.400 -2.395
208 HG3 ARG 33 2HG ARG 33 6.392 7.962 -2.042
209 HD2 ARG 33 1HD ARG 33 5.063 9.784 -1.474
210 HD3 ARG 33 2HD ARG 33 5.626 10.181 -3.097
211 HE ARG 33 HE ARG 33 3.469 9.944 -3.884
212 HH11 ARG 33 1HH1 ARG 33 3.676 8.843 -0.587
213 HH12 ARG 33 2HH1 ARG 33 1.959 8.743 -0.376
214 HH21 ARG 33 1HH2 ARG 33 1.208 9.816 -3.618
215 HH22 ARG 33 2HH2 ARG 33 0.556 9.296 -2.101
216 H SER 34 H SER 34 6.789 5.562 -1.966
217 HA SER 34 HA SER 34 8.746 6.988 -0.599
218 HB2 SER 34 1HB SER 34 6.982 5.406 0.357
219 HB3 SER 34 2HB SER 34 8.096 4.095 -0.033
220 HG SER 34 HG SER 34 8.261 4.971 2.147
221 H HIS 35 H HIS 35 9.015 3.864 -2.272
222 HA HIS 35 HA HIS 35 11.555 3.106 -1.716
223 HB2 HIS 35 1HB HIS 35 9.890 2.917 -4.181
224 HB3 HIS 35 2HB HIS 35 11.590 2.474 -4.302
225 HD1 HIS 35 HD1 HIS 35 12.301 0.680 -2.256
226 HD2 HIS 35 HD2 HIS 35 8.342 0.816 -3.509
227 HE1 HIS 35 HE1 HIS 35 11.288 -1.500 -1.518
228 H SER 36 H SER 36 13.154 4.565 -1.425
229 HA SER 36 HA SER 36 14.283 5.799 -3.781
230 HB2 SER 36 1HB SER 36 13.341 7.496 -1.458
231 HB3 SER 36 2HB SER 36 14.361 8.070 -2.776
232 HG SER 36 HG SER 36 11.665 7.248 -2.848
233 H GLY 37 H GLY 37 16.319 7.114 -3.081
234 HA2 GLY 37 1HA GLY 37 17.849 7.186 -1.014
235 HA3 GLY 37 2HA GLY 37 17.737 5.435 -1.120
236 H GLU 38 H GLU 38 17.969 4.930 -3.768
237 HA GLU 38 HA GLU 38 20.739 5.716 -4.264
238 HB2 GLU 38 1HB GLU 38 20.873 3.838 -5.737
239 HB3 GLU 38 2HB GLU 38 20.061 3.303 -4.273
240 HG2 GLU 38 1HG GLU 38 17.965 3.239 -5.330
241 HG3 GLU 38 2HG GLU 38 18.546 4.164 -6.713
242 H LYS 39 H LYS 39 21.440 6.657 -6.167
243 HA LYS 39 HA LYS 39 19.645 8.444 -7.430
244 HB2 LYS 39 1HB LYS 39 22.470 7.618 -8.105
245 HB3 LYS 39 2HB LYS 39 21.597 8.876 -8.972
246 HG2 LYS 39 1HG LYS 39 21.651 10.333 -7.187
247 HG3 LYS 39 2HG LYS 39 21.868 9.040 -6.004
248 HD2 LYS 39 1HD LYS 39 23.947 10.167 -6.152
249 HD3 LYS 39 2HD LYS 39 24.143 8.650 -7.034
250 HE2 LYS 39 1HE LYS 39 23.981 9.741 -9.128
251 HE3 LYS 39 2HE LYS 39 23.402 11.233 -8.387
252 HZ1 LYS 39 3HZ LYS 39 25.661 11.211 -7.201
253 HZ2 LYS 39 1HZ LYS 39 25.615 11.671 -8.829
254 HZ3 LYS 39 2HZ LYS 39 26.132 10.118 -8.404
255 HA PRO 40 HA PRO 40 17.977 5.922 -10.634
256 HB2 PRO 40 1HB PRO 40 17.249 7.878 -12.370
257 HB3 PRO 40 2HB PRO 40 16.373 7.550 -10.870
258 HG2 PRO 40 1HG PRO 40 18.414 9.662 -11.447
259 HG3 PRO 40 2HG PRO 40 16.887 9.796 -10.556
260 HD2 PRO 40 1HD PRO 40 19.285 9.576 -9.316
261 HD3 PRO 40 2HD PRO 40 17.790 8.909 -8.629
262 H SER 41 H SER 41 20.818 7.685 -10.901
263 HA SER 41 HA SER 41 21.264 7.164 -13.720
264 HB2 SER 41 1HB SER 41 22.898 8.484 -11.559
265 HB3 SER 41 2HB SER 41 23.577 8.125 -13.146
266 HG SER 41 HG SER 41 21.396 9.819 -12.522
267 H GLY 42 H GLY 42 23.048 6.350 -10.733
268 HA2 GLY 42 1HA GLY 42 23.472 3.958 -10.297
269 HA3 GLY 42 2HA GLY 42 23.780 3.791 -12.019
270 HA PRO 43 HA PRO 43 27.657 4.946 -9.436
271 HB2 PRO 43 1HB PRO 43 28.677 2.473 -8.975
272 HB3 PRO 43 2HB PRO 43 27.589 3.289 -7.846
273 HG2 PRO 43 1HG PRO 43 26.973 1.181 -9.880
274 HG3 PRO 43 2HG PRO 43 26.397 1.326 -8.209
275 HD2 PRO 43 1HD PRO 43 24.892 2.058 -10.338
276 HD3 PRO 43 2HD PRO 43 24.786 2.877 -8.766
277 H SER 44 H SER 44 29.007 5.648 -10.965
278 HA SER 44 HA SER 44 29.661 3.884 -13.219
279 HB2 SER 44 1HB SER 44 30.191 6.851 -12.938
280 HB3 SER 44 2HB SER 44 30.373 5.880 -14.399
281 HG SER 44 HG SER 44 28.297 7.192 -13.858
282 H SER 45 H SER 45 30.853 3.244 -10.801
283 HA SER 45 HA SER 45 33.636 4.137 -11.183
284 HB2 SER 45 1HB SER 45 32.219 3.180 -8.687
285 HB3 SER 45 2HB SER 45 33.963 3.422 -8.788
286 HG SER 45 HG SER 45 31.893 5.309 -8.823
287 H GLY 46 H GLY 46 32.621 2.130 -12.812
288 HA2 GLY 46 1HA GLY 46 33.424 -0.425 -11.668
289 HA3 GLY 46 2HA GLY 46 32.732 -0.167 -13.263
Start of MODEL 12
1 H1 GLY 1 H GLY 1 19.161 -14.545 -1.276
2 HA2 GLY 1 1HA GLY 1 18.295 -14.541 -3.702
3 HA3 GLY 1 2HA GLY 1 19.682 -15.566 -3.366
4 H SER 2 H SER 2 16.241 -15.480 -3.948
5 HA SER 2 HA SER 2 16.269 -18.085 -5.097
6 HB2 SER 2 1HB SER 2 14.767 -19.208 -3.538
7 HB3 SER 2 2HB SER 2 16.230 -18.702 -2.694
8 HG SER 2 HG SER 2 13.937 -17.063 -2.736
9 H SER 3 H SER 3 14.249 -18.647 -6.086
10 HA SER 3 HA SER 3 12.446 -16.334 -6.385
11 HB2 SER 3 1HB SER 3 13.851 -17.042 -8.399
12 HB3 SER 3 2HB SER 3 12.854 -18.496 -8.452
13 HG SER 3 HG SER 3 11.035 -17.168 -8.726
14 H GLY 4 H GLY 4 10.926 -16.887 -4.856
15 HA2 GLY 4 1HA GLY 4 9.545 -19.466 -5.275
16 HA3 GLY 4 2HA GLY 4 9.636 -18.638 -3.727
17 H SER 5 H SER 5 7.835 -19.093 -6.556
18 HA SER 5 HA SER 5 6.305 -16.642 -6.309
19 HB2 SER 5 1HB SER 5 6.040 -19.033 -8.141
20 HB3 SER 5 2HB SER 5 4.956 -17.643 -8.186
21 HG SER 5 HG SER 5 6.930 -17.721 -9.627
22 H SER 6 H SER 6 5.757 -20.126 -5.893
23 HA SER 6 HA SER 6 3.071 -19.924 -5.065
24 HB2 SER 6 1HB SER 6 3.270 -22.217 -4.373
25 HB3 SER 6 2HB SER 6 4.229 -22.023 -5.841
26 HG SER 6 HG SER 6 5.852 -21.492 -3.866
27 H GLY 7 H GLY 7 2.135 -19.990 -3.006
28 HA2 GLY 7 1HA GLY 7 2.896 -20.283 -0.539
29 HA3 GLY 7 2HA GLY 7 3.846 -18.852 -0.908
30 H SER 8 H SER 8 2.449 -18.214 1.044
31 HA SER 8 HA SER 8 -0.182 -17.247 0.161
32 HB2 SER 8 1HB SER 8 -0.152 -18.633 2.209
33 HB3 SER 8 2HB SER 8 0.931 -17.468 2.970
34 HG SER 8 HG SER 8 -1.058 -16.863 3.621
35 H GLY 9 H GLY 9 -0.824 -15.081 0.656
36 HA2 GLY 9 1HA GLY 9 -0.145 -12.907 1.620
37 HA3 GLY 9 2HA GLY 9 1.463 -13.240 0.995
38 H GLU 10 H GLU 10 -1.696 -13.641 -0.570
39 HA GLU 10 HA GLU 10 -0.722 -11.967 -2.771
40 HB2 GLU 10 1HB GLU 10 -1.462 -14.162 -3.449
41 HB3 GLU 10 2HB GLU 10 -2.996 -13.949 -2.616
42 HG2 GLU 10 1HG GLU 10 -3.298 -11.931 -4.208
43 HG3 GLU 10 2HG GLU 10 -2.044 -12.719 -5.164
44 H LYS 11 H LYS 11 -1.841 -10.196 -3.518
45 HA LYS 11 HA LYS 11 -4.316 -9.422 -2.181
46 HB2 LYS 11 1HB LYS 11 -1.698 -8.033 -1.904
47 HB3 LYS 11 2HB LYS 11 -3.133 -7.030 -2.074
48 HG2 LYS 11 1HG LYS 11 -4.070 -7.828 -0.089
49 HG3 LYS 11 2HG LYS 11 -2.992 -9.225 -0.038
50 HD2 LYS 11 1HD LYS 11 -1.086 -7.696 0.334
51 HD3 LYS 11 2HD LYS 11 -2.212 -6.336 0.365
52 HE2 LYS 11 1HE LYS 11 -3.405 -7.686 2.225
53 HE3 LYS 11 2HE LYS 11 -1.884 -8.570 2.334
54 HZ1 LYS 11 3HZ LYS 11 -2.392 -6.357 3.709
55 HZ2 LYS 11 1HZ LYS 11 -1.674 -5.673 2.338
56 HZ3 LYS 11 2HZ LYS 11 -0.831 -6.821 3.249
57 HA PRO 12 HA PRO 12 -5.450 -7.783 -6.090
58 HB2 PRO 12 1HB PRO 12 -6.891 -5.585 -5.407
59 HB3 PRO 12 2HB PRO 12 -7.481 -7.234 -5.165
60 HG2 PRO 12 1HG PRO 12 -6.226 -5.363 -3.194
61 HG3 PRO 12 2HG PRO 12 -7.630 -6.426 -2.990
62 HD2 PRO 12 1HD PRO 12 -5.168 -7.069 -2.063
63 HD3 PRO 12 2HD PRO 12 -6.323 -8.291 -2.632
64 H PHE 13 H PHE 13 -3.597 -5.844 -3.916
65 HA PHE 13 HA PHE 13 -2.345 -4.487 -6.146
66 HB2 PHE 13 1HB PHE 13 -3.691 -2.920 -3.935
67 HB3 PHE 13 2HB PHE 13 -2.646 -2.235 -5.175
68 HD1 PHE 13 HD2 PHE 13 -5.833 -4.059 -4.669
69 HD2 PHE 13 HD1 PHE 13 -3.512 -1.586 -7.240
70 HE1 PHE 13 HE2 PHE 13 -7.782 -3.768 -6.142
71 HE2 PHE 13 HE1 PHE 13 -5.458 -1.289 -8.717
72 HZ PHE 13 HZ PHE 13 -7.596 -2.382 -8.169
73 H LYS 14 H LYS 14 -0.277 -4.920 -5.779
74 HA LYS 14 HA LYS 14 0.793 -4.448 -3.079
75 HB2 LYS 14 1HB LYS 14 2.445 -6.353 -3.706
76 HB3 LYS 14 2HB LYS 14 0.838 -6.770 -3.124
77 HG2 LYS 14 1HG LYS 14 0.115 -7.025 -5.489
78 HG3 LYS 14 2HG LYS 14 1.791 -6.767 -5.979
79 HD2 LYS 14 1HD LYS 14 2.333 -8.701 -4.364
80 HD3 LYS 14 2HD LYS 14 0.605 -9.054 -4.441
81 HE2 LYS 14 1HE LYS 14 2.268 -8.736 -6.921
82 HE3 LYS 14 2HE LYS 14 2.154 -10.278 -6.074
83 HZ1 LYS 14 3HZ LYS 14 -0.303 -8.844 -6.819
84 HZ2 LYS 14 1HZ LYS 14 -0.059 -10.502 -6.592
85 HZ3 LYS 14 2HZ LYS 14 0.522 -9.745 -7.989
86 H CYS 15 H CYS 15 3.155 -4.070 -3.064
87 HA CYS 15 HA CYS 15 3.857 -2.149 -5.057
88 HB2 CYS 15 1HB CYS 15 4.525 -1.978 -2.660
89 HB3 CYS 15 2HB CYS 15 5.606 -3.347 -2.899
90 H GLU 16 H GLU 16 5.574 -2.218 -6.539
91 HA GLU 16 HA GLU 16 6.125 -4.890 -7.556
92 HB2 GLU 16 1HB GLU 16 6.603 -3.906 -9.599
93 HB3 GLU 16 2HB GLU 16 5.387 -2.818 -8.946
94 HG2 GLU 16 1HG GLU 16 8.296 -2.276 -8.525
95 HG3 GLU 16 2HG GLU 16 7.504 -1.836 -10.037
96 H GLU 17 H GLU 17 7.690 -2.351 -5.834
97 HA GLU 17 HA GLU 17 10.377 -3.067 -6.487
98 HB2 GLU 17 1HB GLU 17 9.137 -1.362 -4.340
99 HB3 GLU 17 2HB GLU 17 10.864 -1.690 -4.367
100 HG2 GLU 17 1HG GLU 17 9.433 -0.544 -6.738
101 HG3 GLU 17 2HG GLU 17 10.056 0.470 -5.437
102 H CYS 18 H CYS 18 8.613 -3.341 -3.395
103 HA CYS 18 HA CYS 18 10.361 -5.583 -2.674
104 HB2 CYS 18 1HB CYS 18 9.362 -5.222 -0.371
105 HB3 CYS 18 2HB CYS 18 10.357 -3.907 -0.988
106 H GLY 19 H GLY 19 6.915 -4.671 -2.547
107 HA2 GLY 19 1HA GLY 19 5.445 -6.415 -3.639
108 HA3 GLY 19 2HA GLY 19 6.264 -7.552 -2.578
109 H LYS 20 H LYS 20 5.660 -4.445 -1.271
110 HA LYS 20 HA LYS 20 4.327 -5.219 0.964
111 HB2 LYS 20 1HB LYS 20 5.099 -2.840 0.049
112 HB3 LYS 20 2HB LYS 20 3.382 -2.694 -0.304
113 HG2 LYS 20 1HG LYS 20 3.375 -1.832 1.786
114 HG3 LYS 20 2HG LYS 20 3.194 -3.536 2.210
115 HD2 LYS 20 1HD LYS 20 5.688 -3.654 2.424
116 HD3 LYS 20 2HD LYS 20 5.727 -1.901 2.219
117 HE2 LYS 20 1HE LYS 20 5.765 -2.235 4.540
118 HE3 LYS 20 2HE LYS 20 4.095 -1.804 4.175
119 HZ1 LYS 20 3HZ LYS 20 3.964 -3.625 5.611
120 HZ2 LYS 20 1HZ LYS 20 5.196 -4.473 4.819
121 HZ3 LYS 20 2HZ LYS 20 3.687 -4.288 4.079
122 H GLY 21 H GLY 21 2.041 -4.910 1.616
123 HA2 GLY 21 1HA GLY 21 0.253 -5.863 -0.531
124 HA3 GLY 21 2HA GLY 21 0.076 -6.273 1.168
125 H PHE 22 H PHE 22 -1.649 -4.871 -0.941
126 HA PHE 22 HA PHE 22 -2.672 -2.856 0.885
127 HB2 PHE 22 1HB PHE 22 -2.079 -2.108 -1.981
128 HB3 PHE 22 2HB PHE 22 -2.667 -1.055 -0.699
129 HD1 PHE 22 HD1 PHE 22 -1.086 -0.912 1.408
130 HD2 PHE 22 HD2 PHE 22 0.156 -2.062 -2.498
131 HE1 PHE 22 HE1 PHE 22 1.230 -0.300 1.968
132 HE2 PHE 22 HE2 PHE 22 2.474 -1.452 -1.944
133 HZ PHE 22 HZ PHE 22 3.014 -0.570 0.291
134 H TYR 23 H TYR 23 -4.746 -1.870 -0.079
135 HA TYR 23 HA TYR 23 -6.220 -3.997 -1.491
136 HB2 TYR 23 1HB TYR 23 -7.318 -2.053 0.550
137 HB3 TYR 23 2HB TYR 23 -8.207 -3.352 -0.238
138 HD1 TYR 23 HD1 TYR 23 -6.527 -5.658 -0.048
139 HD2 TYR 23 HD2 TYR 23 -7.074 -2.537 2.792
140 HE1 TYR 23 HE1 TYR 23 -5.885 -7.198 1.760
141 HE2 TYR 23 HE2 TYR 23 -6.433 -4.068 4.607
142 HH TYR 23 HH TYR 23 -5.993 -6.194 5.153
143 H THR 24 H THR 24 -5.675 -0.556 -1.132
144 HA THR 24 HA THR 24 -7.310 -0.078 -3.538
145 HB THR 24 HB THR 24 -7.520 2.255 -2.815
146 HG1 THR 24 HG1 THR 24 -6.103 1.382 -0.497
147 HG21 THR 24 3HG2 THR 24 -9.358 1.075 -2.073
148 HG22 THR 24 1HG2 THR 24 -8.735 1.718 -0.554
149 HG23 THR 24 2HG2 THR 24 -8.402 0.046 -1.007
150 H ASN 25 H ASN 25 -6.424 0.950 -5.270
151 HA ASN 25 HA ASN 25 -3.742 0.768 -5.822
152 HB2 ASN 25 1HB ASN 25 -5.609 1.224 -7.460
153 HB3 ASN 25 2HB ASN 25 -5.540 2.912 -6.962
154 HD21 ASN 25 1HD2 ASN 25 -4.654 0.940 -9.326
155 HD22 ASN 25 2HD2 ASN 25 -3.195 1.698 -9.855
156 H SER 26 H SER 26 -5.464 3.742 -4.866
157 HA SER 26 HA SER 26 -3.467 5.559 -4.791
158 HB2 SER 26 1HB SER 26 -5.917 5.808 -4.035
159 HB3 SER 26 2HB SER 26 -5.340 5.323 -2.441
160 HG SER 26 HG SER 26 -5.368 7.713 -3.275
161 H GLN 27 H GLN 27 -4.179 3.258 -2.170
162 HA GLN 27 HA GLN 27 -2.126 4.030 -0.442
163 HB2 GLN 27 1HB GLN 27 -3.782 1.586 -0.797
164 HB3 GLN 27 2HB GLN 27 -2.330 1.440 0.184
165 HG2 GLN 27 1HG GLN 27 -4.209 3.683 0.722
166 HG3 GLN 27 2HG GLN 27 -4.635 2.058 1.257
167 HE21 GLN 27 1HE2 GLN 27 -4.455 2.456 3.419
168 HE22 GLN 27 2HE2 GLN 27 -2.954 2.796 4.203
169 H CYS 28 H CYS 28 -2.160 1.437 -2.882
170 HA CYS 28 HA CYS 28 0.386 0.444 -2.521
171 HB2 CYS 28 1HB CYS 28 -1.036 -0.713 -4.015
172 HB3 CYS 28 2HB CYS 28 -1.305 0.722 -4.997
173 HG CYS 28 HG CYS 28 0.302 -1.348 -6.256
174 H TYR 29 H TYR 29 -0.615 3.144 -4.604
175 HA TYR 29 HA TYR 29 1.952 3.728 -5.606
176 HB2 TYR 29 1HB TYR 29 -0.306 4.529 -6.493
177 HB3 TYR 29 2HB TYR 29 -0.248 5.757 -5.233
178 HD1 TYR 29 HD1 TYR 29 1.692 4.438 -8.127
179 HD2 TYR 29 HD2 TYR 29 0.849 7.776 -5.627
180 HE1 TYR 29 HE1 TYR 29 3.038 5.875 -9.602
181 HE2 TYR 29 HE2 TYR 29 2.191 9.222 -7.095
182 HH TYR 29 HH TYR 29 4.115 7.912 -9.704
183 H SER 30 H SER 30 0.152 4.978 -2.826
184 HA SER 30 HA SER 30 1.745 7.052 -2.017
185 HB2 SER 30 1HB SER 30 -0.289 6.552 -0.829
186 HB3 SER 30 2HB SER 30 0.334 4.982 -0.321
187 HG SER 30 HG SER 30 1.260 7.542 0.476
188 H HIS 31 H HIS 31 2.180 3.620 -1.182
189 HA HIS 31 HA HIS 31 4.647 4.095 0.196
190 HB2 HIS 31 1HB HIS 31 3.633 2.204 1.028
191 HB3 HIS 31 2HB HIS 31 3.037 1.698 -0.550
192 HD1 HIS 31 HD1 HIS 31 5.787 1.188 1.827
193 HD2 HIS 31 HD2 HIS 31 5.032 0.398 -2.181
194 HE1 HIS 31 HE1 HIS 31 7.526 -0.491 1.134
195 H GLN 32 H GLN 32 3.781 2.639 -2.931
196 HA GLN 32 HA GLN 32 6.159 1.812 -3.904
197 HB2 GLN 32 1HB GLN 32 3.812 3.122 -5.175
198 HB3 GLN 32 2HB GLN 32 5.271 2.968 -6.145
199 HG2 GLN 32 1HG GLN 32 5.258 0.593 -5.915
200 HG3 GLN 32 2HG GLN 32 3.946 0.664 -4.740
201 HE21 GLN 32 1HE2 GLN 32 4.068 -0.774 -7.253
202 HE22 GLN 32 2HE2 GLN 32 2.753 -0.195 -8.212
203 H ARG 33 H ARG 33 5.062 5.179 -3.785
204 HA ARG 33 HA ARG 33 7.134 6.394 -5.161
205 HB2 ARG 33 1HB ARG 33 5.438 7.326 -2.855
206 HB3 ARG 33 2HB ARG 33 6.659 8.365 -3.577
207 HG2 ARG 33 1HG ARG 33 5.492 7.924 -5.795
208 HG3 ARG 33 2HG ARG 33 4.170 7.263 -4.832
209 HD2 ARG 33 1HD ARG 33 5.242 9.937 -4.099
210 HD3 ARG 33 2HD ARG 33 4.245 9.811 -5.548
211 HE ARG 33 HE ARG 33 2.845 8.499 -3.585
212 HH11 ARG 33 1HH1 ARG 33 4.116 11.708 -4.042
213 HH12 ARG 33 2HH1 ARG 33 2.884 12.472 -3.093
214 HH21 ARG 33 1HH2 ARG 33 1.217 9.493 -2.334
215 HH22 ARG 33 2HH2 ARG 33 1.236 11.211 -2.122
216 H SER 34 H SER 34 6.948 5.586 -1.707
217 HA SER 34 HA SER 34 9.146 6.678 -0.634
218 HB2 SER 34 1HB SER 34 7.760 5.174 0.657
219 HB3 SER 34 2HB SER 34 8.269 3.798 -0.322
220 HG SER 34 HG SER 34 10.410 4.175 0.470
221 H HIS 35 H HIS 35 9.222 3.656 -2.517
222 HA HIS 35 HA HIS 35 11.955 3.194 -2.437
223 HB2 HIS 35 1HB HIS 35 9.894 2.558 -4.544
224 HB3 HIS 35 2HB HIS 35 11.568 2.026 -4.675
225 HD1 HIS 35 HD1 HIS 35 12.395 0.516 -2.540
226 HD2 HIS 35 HD2 HIS 35 8.303 0.846 -3.173
227 HE1 HIS 35 HE1 HIS 35 11.362 -1.387 -1.262
228 H SER 36 H SER 36 13.019 5.208 -2.583
229 HA SER 36 HA SER 36 13.095 6.347 -5.301
230 HB2 SER 36 1HB SER 36 13.698 7.759 -2.692
231 HB3 SER 36 2HB SER 36 13.715 8.487 -4.298
232 HG SER 36 HG SER 36 11.441 7.826 -4.404
233 H GLY 37 H GLY 37 15.105 6.022 -2.367
234 HA2 GLY 37 1HA GLY 37 17.495 5.994 -4.064
235 HA3 GLY 37 2HA GLY 37 17.470 6.205 -2.319
236 H GLU 38 H GLU 38 18.786 4.266 -4.338
237 HA GLU 38 HA GLU 38 17.790 1.683 -3.678
238 HB2 GLU 38 1HB GLU 38 19.244 2.402 -5.692
239 HB3 GLU 38 2HB GLU 38 20.602 2.225 -4.589
240 HG2 GLU 38 1HG GLU 38 20.594 0.156 -5.518
241 HG3 GLU 38 2HG GLU 38 19.508 -0.130 -4.159
242 H LYS 39 H LYS 39 18.609 0.144 -2.263
243 HA LYS 39 HA LYS 39 20.490 1.149 -0.229
244 HB2 LYS 39 1HB LYS 39 19.232 -0.121 1.464
245 HB3 LYS 39 2HB LYS 39 18.240 1.115 0.703
246 HG2 LYS 39 1HG LYS 39 17.301 -0.655 -0.781
247 HG3 LYS 39 2HG LYS 39 18.181 -1.847 0.178
248 HD2 LYS 39 1HD LYS 39 16.159 -1.892 1.249
249 HD3 LYS 39 2HD LYS 39 16.964 -0.626 2.177
250 HE2 LYS 39 1HE LYS 39 14.755 0.125 1.634
251 HE3 LYS 39 2HE LYS 39 15.907 1.056 0.678
252 HZ1 LYS 39 3HZ LYS 39 14.470 -1.327 -0.349
253 HZ2 LYS 39 1HZ LYS 39 15.403 -0.230 -1.237
254 HZ3 LYS 39 2HZ LYS 39 13.929 0.260 -0.570
255 HA PRO 40 HA PRO 40 22.879 -2.441 -1.126
256 HB2 PRO 40 1HB PRO 40 24.322 -2.567 1.169
257 HB3 PRO 40 2HB PRO 40 24.617 -1.358 -0.085
258 HG2 PRO 40 1HG PRO 40 23.091 -1.096 2.477
259 HG3 PRO 40 2HG PRO 40 24.241 0.034 1.740
260 HD2 PRO 40 1HD PRO 40 21.559 0.360 1.559
261 HD3 PRO 40 2HD PRO 40 22.672 0.871 0.274
262 H SER 41 H SER 41 22.710 -4.605 -0.856
263 HA SER 41 HA SER 41 20.908 -5.547 1.259
264 HB2 SER 41 1HB SER 41 21.773 -6.845 -1.335
265 HB3 SER 41 2HB SER 41 20.712 -7.602 -0.147
266 HG SER 41 HG SER 41 19.177 -6.056 -0.543
267 H GLY 42 H GLY 42 21.475 -7.157 2.680
268 HA2 GLY 42 1HA GLY 42 24.142 -7.360 3.478
269 HA3 GLY 42 2HA GLY 42 22.859 -8.455 3.970
270 HA PRO 43 HA PRO 43 25.916 -10.982 1.638
271 HB2 PRO 43 1HB PRO 43 25.692 -13.143 3.266
272 HB3 PRO 43 2HB PRO 43 26.777 -11.791 3.609
273 HG2 PRO 43 1HG PRO 43 24.056 -12.363 4.716
274 HG3 PRO 43 2HG PRO 43 25.510 -11.798 5.558
275 HD2 PRO 43 1HD PRO 43 23.502 -10.130 4.839
276 HD3 PRO 43 2HD PRO 43 25.200 -9.613 4.892
277 H SER 44 H SER 44 22.618 -11.370 2.593
278 HA SER 44 HA SER 44 21.956 -12.732 0.179
279 HB2 SER 44 1HB SER 44 22.884 -14.585 1.660
280 HB3 SER 44 2HB SER 44 21.482 -14.329 2.698
281 HG SER 44 HG SER 44 20.181 -14.737 0.808
282 H SER 45 H SER 45 19.879 -12.355 -0.349
283 HA SER 45 HA SER 45 18.119 -11.285 1.761
284 HB2 SER 45 1HB SER 45 17.131 -9.798 0.113
285 HB3 SER 45 2HB SER 45 18.878 -9.563 0.130
286 HG SER 45 HG SER 45 17.867 -11.447 -1.652
287 H GLY 46 H GLY 46 16.573 -12.705 2.213
288 HA2 GLY 46 1HA GLY 46 14.431 -13.570 1.284
289 HA3 GLY 46 2HA GLY 46 15.396 -14.233 -0.027
Start of MODEL 13
1 H1 GLY 1 H GLY 1 7.212 -14.663 -15.727
2 HA2 GLY 1 1HA GLY 1 7.200 -17.595 -16.087
3 HA3 GLY 1 2HA GLY 1 8.653 -16.732 -15.606
4 H SER 2 H SER 2 5.238 -16.711 -14.573
5 HA SER 2 HA SER 2 5.385 -15.946 -12.026
6 HB2 SER 2 1HB SER 2 3.307 -16.752 -13.087
7 HB3 SER 2 2HB SER 2 3.870 -18.414 -12.913
8 HG SER 2 HG SER 2 4.076 -17.576 -10.542
9 H SER 3 H SER 3 6.001 -16.697 -10.034
10 HA SER 3 HA SER 3 7.975 -18.828 -10.053
11 HB2 SER 3 1HB SER 3 7.235 -16.629 -8.170
12 HB3 SER 3 2HB SER 3 8.073 -18.039 -7.524
13 HG SER 3 HG SER 3 9.014 -16.653 -9.800
14 H GLY 4 H GLY 4 4.986 -18.027 -8.293
15 HA2 GLY 4 1HA GLY 4 3.692 -19.347 -6.893
16 HA3 GLY 4 2HA GLY 4 3.720 -20.399 -8.301
17 H SER 5 H SER 5 5.958 -19.535 -5.658
18 HA SER 5 HA SER 5 6.287 -22.408 -5.128
19 HB2 SER 5 1HB SER 5 8.415 -20.356 -5.636
20 HB3 SER 5 2HB SER 5 8.750 -21.711 -4.558
21 HG SER 5 HG SER 5 7.576 -22.289 -7.017
22 H SER 6 H SER 6 6.848 -19.119 -3.910
23 HA SER 6 HA SER 6 6.847 -20.097 -1.165
24 HB2 SER 6 1HB SER 6 7.365 -17.726 -0.590
25 HB3 SER 6 2HB SER 6 8.523 -18.431 -1.718
26 HG SER 6 HG SER 6 6.999 -16.263 -2.035
27 H GLY 7 H GLY 7 4.737 -20.706 -0.772
28 HA2 GLY 7 1HA GLY 7 2.432 -19.307 -1.497
29 HA3 GLY 7 2HA GLY 7 2.549 -20.419 -0.141
30 H SER 8 H SER 8 2.256 -17.169 -1.109
31 HA SER 8 HA SER 8 2.341 -16.331 1.710
32 HB2 SER 8 1HB SER 8 3.693 -15.097 -0.651
33 HB3 SER 8 2HB SER 8 3.067 -14.031 0.606
34 HG SER 8 HG SER 8 5.270 -15.606 0.628
35 H GLY 9 H GLY 9 0.974 -14.523 2.237
36 HA2 GLY 9 1HA GLY 9 -1.589 -14.688 1.084
37 HA3 GLY 9 2HA GLY 9 -1.053 -13.447 2.207
38 H GLU 10 H GLU 10 -1.849 -14.182 -1.025
39 HA GLU 10 HA GLU 10 -0.536 -11.959 -2.256
40 HB2 GLU 10 1HB GLU 10 -1.485 -14.191 -3.292
41 HB3 GLU 10 2HB GLU 10 -2.955 -13.241 -3.455
42 HG2 GLU 10 1HG GLU 10 -1.903 -11.678 -4.878
43 HG3 GLU 10 2HG GLU 10 -0.302 -12.319 -4.514
44 H LYS 11 H LYS 11 -1.876 -10.314 -3.503
45 HA LYS 11 HA LYS 11 -4.344 -9.524 -2.182
46 HB2 LYS 11 1HB LYS 11 -1.757 -8.075 -1.918
47 HB3 LYS 11 2HB LYS 11 -3.212 -7.109 -2.125
48 HG2 LYS 11 1HG LYS 11 -4.176 -7.969 -0.143
49 HG3 LYS 11 2HG LYS 11 -2.945 -9.227 -0.010
50 HD2 LYS 11 1HD LYS 11 -1.239 -7.527 0.382
51 HD3 LYS 11 2HD LYS 11 -2.453 -6.257 0.215
52 HE2 LYS 11 1HE LYS 11 -3.665 -7.236 2.145
53 HE3 LYS 11 2HE LYS 11 -2.351 -8.396 2.340
54 HZ1 LYS 11 3HZ LYS 11 -1.595 -5.588 2.248
55 HZ2 LYS 11 1HZ LYS 11 -0.987 -6.843 3.206
56 HZ3 LYS 11 2HZ LYS 11 -2.440 -6.086 3.626
57 HA PRO 12 HA PRO 12 -5.467 -8.001 -6.140
58 HB2 PRO 12 1HB PRO 12 -6.925 -5.792 -5.534
59 HB3 PRO 12 2HB PRO 12 -7.506 -7.436 -5.245
60 HG2 PRO 12 1HG PRO 12 -6.274 -5.497 -3.325
61 HG3 PRO 12 2HG PRO 12 -7.673 -6.563 -3.096
62 HD2 PRO 12 1HD PRO 12 -5.212 -7.161 -2.136
63 HD3 PRO 12 2HD PRO 12 -6.357 -8.407 -2.673
64 H PHE 13 H PHE 13 -3.571 -6.051 -4.044
65 HA PHE 13 HA PHE 13 -2.320 -4.749 -6.291
66 HB2 PHE 13 1HB PHE 13 -3.737 -3.097 -4.190
67 HB3 PHE 13 2HB PHE 13 -2.653 -2.456 -5.420
68 HD1 PHE 13 HD2 PHE 13 -5.870 -4.210 -4.912
69 HD2 PHE 13 HD1 PHE 13 -3.427 -1.963 -7.576
70 HE1 PHE 13 HE2 PHE 13 -7.768 -3.991 -6.462
71 HE2 PHE 13 HE1 PHE 13 -5.321 -1.739 -9.130
72 HZ PHE 13 HZ PHE 13 -7.495 -2.754 -8.575
73 H LYS 14 H LYS 14 -0.265 -5.188 -5.850
74 HA LYS 14 HA LYS 14 0.740 -4.584 -3.149
75 HB2 LYS 14 1HB LYS 14 2.395 -6.482 -3.558
76 HB3 LYS 14 2HB LYS 14 0.736 -6.940 -3.198
77 HG2 LYS 14 1HG LYS 14 0.326 -7.263 -5.602
78 HG3 LYS 14 2HG LYS 14 2.017 -6.869 -5.923
79 HD2 LYS 14 1HD LYS 14 1.433 -9.009 -3.944
80 HD3 LYS 14 2HD LYS 14 1.189 -9.373 -5.654
81 HE2 LYS 14 1HE LYS 14 3.379 -9.960 -5.478
82 HE3 LYS 14 2HE LYS 14 3.587 -8.247 -5.837
83 HZ1 LYS 14 3HZ LYS 14 3.823 -9.618 -3.231
84 HZ2 LYS 14 1HZ LYS 14 3.574 -7.947 -3.325
85 HZ3 LYS 14 2HZ LYS 14 4.956 -8.636 -4.014
86 H CYS 15 H CYS 15 3.048 -4.086 -3.068
87 HA CYS 15 HA CYS 15 3.787 -2.233 -5.082
88 HB2 CYS 15 1HB CYS 15 4.447 -2.045 -2.688
89 HB3 CYS 15 2HB CYS 15 5.523 -3.421 -2.908
90 H GLU 16 H GLU 16 5.521 -2.297 -6.548
91 HA GLU 16 HA GLU 16 6.084 -4.972 -7.557
92 HB2 GLU 16 1HB GLU 16 6.445 -4.018 -9.606
93 HB3 GLU 16 2HB GLU 16 5.370 -2.813 -8.912
94 HG2 GLU 16 1HG GLU 16 7.234 -1.400 -8.352
95 HG3 GLU 16 2HG GLU 16 8.373 -2.633 -8.890
96 H GLU 17 H GLU 17 7.631 -2.404 -5.856
97 HA GLU 17 HA GLU 17 10.323 -3.103 -6.498
98 HB2 GLU 17 1HB GLU 17 9.067 -1.405 -4.354
99 HB3 GLU 17 2HB GLU 17 10.797 -1.716 -4.382
100 HG2 GLU 17 1HG GLU 17 10.712 0.256 -5.517
101 HG3 GLU 17 2HG GLU 17 10.595 -0.884 -6.856
102 H CYS 18 H CYS 18 8.512 -3.424 -3.438
103 HA CYS 18 HA CYS 18 10.284 -5.651 -2.712
104 HB2 CYS 18 1HB CYS 18 9.324 -5.279 -0.398
105 HB3 CYS 18 2HB CYS 18 10.309 -3.964 -1.032
106 H GLY 19 H GLY 19 6.846 -4.714 -2.544
107 HA2 GLY 19 1HA GLY 19 5.333 -6.428 -3.604
108 HA3 GLY 19 2HA GLY 19 6.177 -7.591 -2.593
109 H LYS 20 H LYS 20 5.533 -4.454 -1.302
110 HA LYS 20 HA LYS 20 4.264 -5.317 0.982
111 HB2 LYS 20 1HB LYS 20 5.138 -2.949 0.243
112 HB3 LYS 20 2HB LYS 20 3.460 -2.697 -0.222
113 HG2 LYS 20 1HG LYS 20 2.702 -2.791 1.953
114 HG3 LYS 20 2HG LYS 20 4.103 -3.707 2.512
115 HD2 LYS 20 1HD LYS 20 5.457 -1.826 2.602
116 HD3 LYS 20 2HD LYS 20 4.445 -0.921 1.474
117 HE2 LYS 20 1HE LYS 20 4.118 0.009 3.646
118 HE3 LYS 20 2HE LYS 20 2.663 -0.892 3.227
119 HZ1 LYS 20 3HZ LYS 20 4.015 -1.153 5.535
120 HZ2 LYS 20 1HZ LYS 20 4.653 -2.435 4.634
121 HZ3 LYS 20 2HZ LYS 20 2.985 -2.330 4.890
122 H GLY 21 H GLY 21 2.020 -5.058 1.688
123 HA2 GLY 21 1HA GLY 21 0.183 -5.919 -0.439
124 HA3 GLY 21 2HA GLY 21 -0.033 -6.210 1.280
125 H PHE 22 H PHE 22 -1.711 -4.900 -0.887
126 HA PHE 22 HA PHE 22 -2.581 -2.671 0.766
127 HB2 PHE 22 1HB PHE 22 -1.993 -2.286 -2.175
128 HB3 PHE 22 2HB PHE 22 -2.613 -1.072 -1.060
129 HD1 PHE 22 HD1 PHE 22 -1.119 -0.454 0.937
130 HD2 PHE 22 HD2 PHE 22 0.286 -2.498 -2.523
131 HE1 PHE 22 HE1 PHE 22 1.183 0.232 1.470
132 HE2 PHE 22 HE2 PHE 22 2.590 -1.815 -1.995
133 HZ PHE 22 HZ PHE 22 3.041 -0.449 0.004
134 H TYR 23 H TYR 23 -4.602 -1.631 -0.411
135 HA TYR 23 HA TYR 23 -6.221 -3.807 -1.554
136 HB2 TYR 23 1HB TYR 23 -7.109 -1.814 0.541
137 HB3 TYR 23 2HB TYR 23 -8.150 -2.997 -0.242
138 HD1 TYR 23 HD1 TYR 23 -6.495 -5.410 -0.225
139 HD2 TYR 23 HD2 TYR 23 -7.002 -2.438 2.776
140 HE1 TYR 23 HE1 TYR 23 -5.918 -7.064 1.501
141 HE2 TYR 23 HE2 TYR 23 -6.426 -4.083 4.511
142 HH TYR 23 HH TYR 23 -5.201 -7.239 3.717
143 H THR 24 H THR 24 -5.492 -0.404 -1.377
144 HA THR 24 HA THR 24 -7.174 0.037 -3.757
145 HB THR 24 HB THR 24 -7.413 2.405 -3.027
146 HG1 THR 24 HG1 THR 24 -5.504 1.979 -1.446
147 HG21 THR 24 3HG2 THR 24 -9.140 2.003 -1.412
148 HG22 THR 24 1HG2 THR 24 -8.416 0.464 -0.944
149 HG23 THR 24 2HG2 THR 24 -9.134 0.651 -2.544
150 H ASN 25 H ASN 25 -6.212 0.920 -5.495
151 HA ASN 25 HA ASN 25 -3.560 0.884 -5.988
152 HB2 ASN 25 1HB ASN 25 -3.934 2.506 -7.793
153 HB3 ASN 25 2HB ASN 25 -5.246 1.333 -7.716
154 HD21 ASN 25 1HD2 ASN 25 -4.391 4.607 -7.643
155 HD22 ASN 25 2HD2 ASN 25 -5.956 5.259 -7.310
156 H SER 26 H SER 26 -5.336 3.646 -4.646
157 HA SER 26 HA SER 26 -3.326 5.530 -4.566
158 HB2 SER 26 1HB SER 26 -4.530 6.489 -2.600
159 HB3 SER 26 2HB SER 26 -5.601 6.092 -3.945
160 HG SER 26 HG SER 26 -6.166 4.183 -2.848
161 H GLN 27 H GLN 27 -4.138 3.181 -2.011
162 HA GLN 27 HA GLN 27 -2.097 3.845 -0.239
163 HB2 GLN 27 1HB GLN 27 -3.721 1.384 -0.719
164 HB3 GLN 27 2HB GLN 27 -2.348 1.293 0.377
165 HG2 GLN 27 1HG GLN 27 -3.403 3.347 1.516
166 HG3 GLN 27 2HG GLN 27 -4.860 2.892 0.635
167 HE21 GLN 27 1HE2 GLN 27 -5.663 2.695 2.877
168 HE22 GLN 27 2HE2 GLN 27 -5.453 1.182 3.684
169 H CYS 28 H CYS 28 -2.125 1.389 -2.809
170 HA CYS 28 HA CYS 28 0.394 0.315 -2.420
171 HB2 CYS 28 1HB CYS 28 -1.101 -0.705 -3.990
172 HB3 CYS 28 2HB CYS 28 -1.164 0.756 -4.968
173 HG CYS 28 HG CYS 28 0.515 -0.254 -6.630
174 H TYR 29 H TYR 29 -0.522 3.146 -4.354
175 HA TYR 29 HA TYR 29 2.086 3.711 -5.290
176 HB2 TYR 29 1HB TYR 29 -0.050 4.578 -6.288
177 HB3 TYR 29 2HB TYR 29 -0.179 5.680 -4.922
178 HD1 TYR 29 HD1 TYR 29 1.765 4.855 -7.941
179 HD2 TYR 29 HD2 TYR 29 1.173 7.652 -4.791
180 HE1 TYR 29 HE1 TYR 29 3.167 6.486 -9.134
181 HE2 TYR 29 HE2 TYR 29 2.573 9.292 -5.976
182 HH TYR 29 HH TYR 29 4.275 9.385 -7.657
183 H SER 30 H SER 30 0.154 5.262 -2.725
184 HA SER 30 HA SER 30 1.811 7.140 -1.759
185 HB2 SER 30 1HB SER 30 0.178 5.146 -0.182
186 HB3 SER 30 2HB SER 30 0.973 6.535 0.561
187 HG SER 30 HG SER 30 -1.144 7.077 0.032
188 H HIS 31 H HIS 31 2.339 3.708 -1.593
189 HA HIS 31 HA HIS 31 4.627 4.020 0.189
190 HB2 HIS 31 1HB HIS 31 3.462 2.103 0.791
191 HB3 HIS 31 2HB HIS 31 3.088 1.682 -0.878
192 HD1 HIS 31 HD1 HIS 31 5.671 1.261 1.761
193 HD2 HIS 31 HD2 HIS 31 5.137 0.293 -2.244
194 HE1 HIS 31 HE1 HIS 31 7.471 -0.411 1.228
195 H GLN 32 H GLN 32 3.911 2.880 -3.097
196 HA GLN 32 HA GLN 32 6.419 2.132 -3.929
197 HB2 GLN 32 1HB GLN 32 4.033 3.256 -5.301
198 HB3 GLN 32 2HB GLN 32 5.542 3.228 -6.204
199 HG2 GLN 32 1HG GLN 32 5.721 0.811 -5.785
200 HG3 GLN 32 2HG GLN 32 4.168 0.862 -4.953
201 HE21 GLN 32 1HE2 GLN 32 3.975 -0.841 -6.771
202 HE22 GLN 32 2HE2 GLN 32 3.271 -0.269 -8.241
203 H ARG 33 H ARG 33 5.017 5.400 -4.079
204 HA ARG 33 HA ARG 33 7.028 6.790 -5.287
205 HB2 ARG 33 1HB ARG 33 6.309 8.755 -4.005
206 HB3 ARG 33 2HB ARG 33 4.932 7.826 -4.583
207 HG2 ARG 33 1HG ARG 33 5.019 6.715 -2.243
208 HG3 ARG 33 2HG ARG 33 5.971 8.134 -1.802
209 HD2 ARG 33 1HD ARG 33 3.312 8.361 -3.180
210 HD3 ARG 33 2HD ARG 33 3.446 8.240 -1.426
211 HE ARG 33 HE ARG 33 5.139 10.286 -2.359
212 HH11 ARG 33 1HH1 ARG 33 1.761 9.558 -1.938
213 HH12 ARG 33 2HH1 ARG 33 1.295 11.215 -1.738
214 HH21 ARG 33 1HH2 ARG 33 4.538 12.471 -2.098
215 HH22 ARG 33 2HH2 ARG 33 2.876 12.871 -1.831
216 H SER 34 H SER 34 6.964 5.561 -2.003
217 HA SER 34 HA SER 34 9.135 6.964 -0.942
218 HB2 SER 34 1HB SER 34 7.601 5.592 0.419
219 HB3 SER 34 2HB SER 34 8.266 4.131 -0.312
220 HG SER 34 HG SER 34 9.205 4.667 1.741
221 H HIS 35 H HIS 35 9.055 3.818 -2.597
222 HA HIS 35 HA HIS 35 11.702 3.100 -2.420
223 HB2 HIS 35 1HB HIS 35 9.599 2.645 -4.501
224 HB3 HIS 35 2HB HIS 35 11.251 2.127 -4.824
225 HD1 HIS 35 HD1 HIS 35 12.264 0.508 -2.825
226 HD2 HIS 35 HD2 HIS 35 8.134 0.796 -3.180
227 HE1 HIS 35 HE1 HIS 35 11.344 -1.495 -1.614
228 H SER 36 H SER 36 13.581 3.755 -3.284
229 HA SER 36 HA SER 36 13.844 5.148 -5.727
230 HB2 SER 36 1HB SER 36 14.484 7.358 -4.910
231 HB3 SER 36 2HB SER 36 12.837 6.984 -4.403
232 HG SER 36 HG SER 36 13.460 6.932 -2.377
233 H GLY 37 H GLY 37 15.706 4.309 -6.383
234 HA2 GLY 37 1HA GLY 37 18.097 4.669 -4.793
235 HA3 GLY 37 2HA GLY 37 17.619 2.992 -5.007
236 H GLU 38 H GLU 38 17.563 5.781 -7.218
237 HA GLU 38 HA GLU 38 19.241 4.209 -9.062
238 HB2 GLU 38 1HB GLU 38 16.864 4.565 -9.793
239 HB3 GLU 38 2HB GLU 38 17.195 6.291 -9.837
240 HG2 GLU 38 1HG GLU 38 17.354 5.397 -12.053
241 HG3 GLU 38 2HG GLU 38 18.960 5.880 -11.507
242 H LYS 39 H LYS 39 21.231 5.011 -9.079
243 HA LYS 39 HA LYS 39 21.647 7.876 -8.665
244 HB2 LYS 39 1HB LYS 39 22.944 5.862 -7.527
245 HB3 LYS 39 2HB LYS 39 23.911 5.960 -8.992
246 HG2 LYS 39 1HG LYS 39 25.104 7.379 -7.696
247 HG3 LYS 39 2HG LYS 39 23.936 8.534 -8.342
248 HD2 LYS 39 1HD LYS 39 23.531 7.056 -5.749
249 HD3 LYS 39 2HD LYS 39 24.318 8.633 -5.848
250 HE2 LYS 39 1HE LYS 39 22.190 9.337 -5.479
251 HE3 LYS 39 2HE LYS 39 22.120 9.199 -7.236
252 HZ1 LYS 39 3HZ LYS 39 21.230 7.117 -5.313
253 HZ2 LYS 39 1HZ LYS 39 21.140 7.012 -7.000
254 HZ3 LYS 39 2HZ LYS 39 20.211 8.158 -6.172
255 HA PRO 40 HA PRO 40 22.074 8.333 -13.081
256 HB2 PRO 40 1HB PRO 40 22.612 10.994 -13.024
257 HB3 PRO 40 2HB PRO 40 20.982 10.339 -12.825
258 HG2 PRO 40 1HG PRO 40 22.914 11.275 -10.739
259 HG3 PRO 40 2HG PRO 40 21.169 11.564 -10.858
260 HD2 PRO 40 1HD PRO 40 22.226 9.689 -9.216
261 HD3 PRO 40 2HD PRO 40 20.640 9.496 -9.988
262 H SER 41 H SER 41 24.419 9.287 -10.658
263 HA SER 41 HA SER 41 26.562 8.761 -12.590
264 HB2 SER 41 1HB SER 41 26.104 11.273 -12.249
265 HB3 SER 41 2HB SER 41 26.780 11.044 -10.636
266 HG SER 41 HG SER 41 28.209 11.651 -12.554
267 H GLY 42 H GLY 42 28.722 8.548 -11.435
268 HA2 GLY 42 1HA GLY 42 29.963 7.933 -9.512
269 HA3 GLY 42 2HA GLY 42 28.454 7.598 -8.677
270 HA PRO 43 HA PRO 43 29.520 3.841 -11.583
271 HB2 PRO 43 1HB PRO 43 32.154 3.625 -12.203
272 HB3 PRO 43 2HB PRO 43 30.993 4.483 -13.224
273 HG2 PRO 43 1HG PRO 43 32.938 5.583 -11.231
274 HG3 PRO 43 2HG PRO 43 32.538 6.181 -12.853
275 HD2 PRO 43 1HD PRO 43 31.516 7.283 -10.600
276 HD3 PRO 43 2HD PRO 43 30.616 7.228 -12.130
277 H SER 44 H SER 44 30.762 5.005 -8.757
278 HA SER 44 HA SER 44 32.321 2.710 -7.969
279 HB2 SER 44 1HB SER 44 31.483 5.272 -6.679
280 HB3 SER 44 2HB SER 44 31.987 3.937 -5.643
281 HG SER 44 HG SER 44 33.980 4.228 -6.252
282 H SER 45 H SER 45 31.328 0.839 -7.611
283 HA SER 45 HA SER 45 28.622 0.808 -6.515
284 HB2 SER 45 1HB SER 45 28.614 -1.568 -7.106
285 HB3 SER 45 2HB SER 45 29.117 -0.595 -8.488
286 HG SER 45 HG SER 45 31.125 -1.344 -8.312
287 H GLY 46 H GLY 46 28.204 -1.076 -4.927
288 HA2 GLY 46 1HA GLY 46 29.976 -2.248 -3.247
289 HA3 GLY 46 2HA GLY 46 29.896 -0.602 -2.635
Start of MODEL 14
1 H1 GLY 1 H GLY 1 18.939 -21.772 12.246
2 HA2 GLY 1 1HA GLY 1 18.307 -21.941 9.848
3 HA3 GLY 1 2HA GLY 1 18.526 -23.676 10.022
4 H SER 2 H SER 2 16.292 -21.220 9.981
5 HA SER 2 HA SER 2 14.117 -22.939 10.529
6 HB2 SER 2 1HB SER 2 13.256 -21.699 12.552
7 HB3 SER 2 2HB SER 2 14.674 -22.703 12.851
8 HG SER 2 HG SER 2 15.752 -20.501 12.264
9 H SER 3 H SER 3 12.785 -22.239 9.004
10 HA SER 3 HA SER 3 12.368 -19.334 8.732
11 HB2 SER 3 1HB SER 3 13.581 -20.525 6.809
12 HB3 SER 3 2HB SER 3 12.033 -21.297 6.466
13 HG SER 3 HG SER 3 12.255 -19.406 5.246
14 H GLY 4 H GLY 4 10.571 -19.275 10.077
15 HA2 GLY 4 1HA GLY 4 8.365 -21.086 9.718
16 HA3 GLY 4 2HA GLY 4 8.401 -19.678 10.769
17 H SER 5 H SER 5 6.610 -20.874 8.484
18 HA SER 5 HA SER 5 6.464 -18.644 6.650
19 HB2 SER 5 1HB SER 5 4.510 -19.915 5.711
20 HB3 SER 5 2HB SER 5 6.017 -20.831 5.744
21 HG SER 5 HG SER 5 5.154 -22.184 7.105
22 H SER 6 H SER 6 4.437 -17.472 6.280
23 HA SER 6 HA SER 6 3.231 -16.719 8.832
24 HB2 SER 6 1HB SER 6 4.213 -14.979 7.306
25 HB3 SER 6 2HB SER 6 2.935 -15.351 6.149
26 HG SER 6 HG SER 6 2.173 -14.783 8.769
27 H GLY 7 H GLY 7 2.197 -17.478 5.505
28 HA2 GLY 7 1HA GLY 7 0.411 -19.017 5.069
29 HA3 GLY 7 2HA GLY 7 -0.274 -18.607 6.635
30 H SER 8 H SER 8 0.507 -17.133 3.492
31 HA SER 8 HA SER 8 -2.138 -16.018 3.301
32 HB2 SER 8 1HB SER 8 -0.841 -14.398 4.772
33 HB3 SER 8 2HB SER 8 0.158 -14.056 3.360
34 HG SER 8 HG SER 8 -1.395 -12.586 3.159
35 H GLY 9 H GLY 9 -2.723 -15.977 1.225
36 HA2 GLY 9 1HA GLY 9 -0.952 -16.819 -0.816
37 HA3 GLY 9 2HA GLY 9 -2.584 -16.213 -1.056
38 H GLU 10 H GLU 10 -2.915 -14.012 -1.461
39 HA GLU 10 HA GLU 10 -0.676 -12.201 -1.578
40 HB2 GLU 10 1HB GLU 10 -0.580 -11.860 -3.904
41 HB3 GLU 10 2HB GLU 10 -0.590 -13.607 -3.707
42 HG2 GLU 10 1HG GLU 10 -3.098 -13.481 -4.081
43 HG3 GLU 10 2HG GLU 10 -2.824 -11.823 -4.613
44 H LYS 11 H LYS 11 -1.518 -10.129 -2.897
45 HA LYS 11 HA LYS 11 -4.251 -9.589 -1.932
46 HB2 LYS 11 1HB LYS 11 -1.730 -8.034 -1.657
47 HB3 LYS 11 2HB LYS 11 -3.211 -7.125 -1.927
48 HG2 LYS 11 1HG LYS 11 -4.121 -7.742 0.090
49 HG3 LYS 11 2HG LYS 11 -3.151 -9.212 0.200
50 HD2 LYS 11 1HD LYS 11 -1.157 -7.875 0.634
51 HD3 LYS 11 2HD LYS 11 -2.107 -6.394 0.488
52 HE2 LYS 11 1HE LYS 11 -3.459 -7.073 2.407
53 HE3 LYS 11 2HE LYS 11 -2.524 -8.561 2.546
54 HZ1 LYS 11 3HZ LYS 11 -0.682 -7.436 3.305
55 HZ2 LYS 11 1HZ LYS 11 -1.929 -6.541 4.017
56 HZ3 LYS 11 2HZ LYS 11 -1.154 -5.958 2.632
57 HA PRO 12 HA PRO 12 -5.380 -8.217 -5.943
58 HB2 PRO 12 1HB PRO 12 -6.965 -6.078 -5.407
59 HB3 PRO 12 2HB PRO 12 -7.462 -7.745 -5.094
60 HG2 PRO 12 1HG PRO 12 -6.370 -5.706 -3.194
61 HG3 PRO 12 2HG PRO 12 -7.714 -6.841 -2.967
62 HD2 PRO 12 1HD PRO 12 -5.243 -7.287 -1.954
63 HD3 PRO 12 2HD PRO 12 -6.309 -8.603 -2.485
64 H PHE 13 H PHE 13 -3.616 -6.140 -3.862
65 HA PHE 13 HA PHE 13 -2.403 -4.811 -6.112
66 HB2 PHE 13 1HB PHE 13 -3.971 -3.217 -4.075
67 HB3 PHE 13 2HB PHE 13 -2.860 -2.520 -5.249
68 HD1 PHE 13 HD2 PHE 13 -6.033 -4.364 -4.868
69 HD2 PHE 13 HD1 PHE 13 -3.520 -2.132 -7.478
70 HE1 PHE 13 HE2 PHE 13 -7.860 -4.237 -6.512
71 HE2 PHE 13 HE1 PHE 13 -5.343 -2.000 -9.126
72 HZ PHE 13 HZ PHE 13 -7.515 -3.054 -8.644
73 H LYS 14 H LYS 14 -0.330 -5.095 -5.642
74 HA LYS 14 HA LYS 14 0.613 -4.346 -2.960
75 HB2 LYS 14 1HB LYS 14 2.286 -6.230 -3.149
76 HB3 LYS 14 2HB LYS 14 0.617 -6.722 -2.890
77 HG2 LYS 14 1HG LYS 14 1.169 -8.178 -4.535
78 HG3 LYS 14 2HG LYS 14 0.629 -6.829 -5.537
79 HD2 LYS 14 1HD LYS 14 2.880 -6.120 -5.917
80 HD3 LYS 14 2HD LYS 14 3.499 -7.266 -4.726
81 HE2 LYS 14 1HE LYS 14 3.923 -8.446 -6.628
82 HE3 LYS 14 2HE LYS 14 2.281 -9.003 -6.309
83 HZ1 LYS 14 3HZ LYS 14 2.249 -6.616 -7.837
84 HZ2 LYS 14 1HZ LYS 14 1.596 -8.131 -8.211
85 HZ3 LYS 14 2HZ LYS 14 3.205 -7.784 -8.601
86 H CYS 15 H CYS 15 2.884 -3.755 -2.877
87 HA CYS 15 HA CYS 15 3.626 -1.983 -4.914
88 HB2 CYS 15 1HB CYS 15 4.394 -1.864 -2.541
89 HB3 CYS 15 2HB CYS 15 5.447 -3.240 -2.852
90 H GLU 16 H GLU 16 5.208 -2.067 -6.512
91 HA GLU 16 HA GLU 16 5.712 -4.737 -7.553
92 HB2 GLU 16 1HB GLU 16 5.956 -3.774 -9.616
93 HB3 GLU 16 2HB GLU 16 4.931 -2.567 -8.853
94 HG2 GLU 16 1HG GLU 16 6.894 -1.212 -8.344
95 HG3 GLU 16 2HG GLU 16 7.928 -2.424 -9.097
96 H GLU 17 H GLU 17 7.358 -2.239 -5.873
97 HA GLU 17 HA GLU 17 10.009 -2.921 -6.699
98 HB2 GLU 17 1HB GLU 17 8.885 -1.258 -4.458
99 HB3 GLU 17 2HB GLU 17 10.609 -1.577 -4.586
100 HG2 GLU 17 1HG GLU 17 8.949 -0.291 -6.740
101 HG3 GLU 17 2HG GLU 17 9.916 0.587 -5.556
102 H CYS 18 H CYS 18 8.346 -3.316 -3.565
103 HA CYS 18 HA CYS 18 10.162 -5.548 -2.969
104 HB2 CYS 18 1HB CYS 18 9.333 -5.232 -0.606
105 HB3 CYS 18 2HB CYS 18 10.250 -3.880 -1.263
106 H GLY 19 H GLY 19 6.732 -4.627 -2.656
107 HA2 GLY 19 1HA GLY 19 5.254 -6.420 -3.721
108 HA3 GLY 19 2HA GLY 19 6.061 -7.498 -2.592
109 H LYS 20 H LYS 20 5.730 -4.517 -1.160
110 HA LYS 20 HA LYS 20 4.263 -5.150 0.977
111 HB2 LYS 20 1HB LYS 20 5.211 -2.840 0.165
112 HB3 LYS 20 2HB LYS 20 3.556 -2.568 -0.364
113 HG2 LYS 20 1HG LYS 20 3.438 -1.671 1.718
114 HG3 LYS 20 2HG LYS 20 3.016 -3.341 2.104
115 HD2 LYS 20 1HD LYS 20 5.890 -2.566 2.134
116 HD3 LYS 20 2HD LYS 20 4.864 -2.029 3.466
117 HE2 LYS 20 1HE LYS 20 4.105 -4.516 3.528
118 HE3 LYS 20 2HE LYS 20 5.595 -4.808 2.633
119 HZ1 LYS 20 3HZ LYS 20 5.401 -3.475 5.281
120 HZ2 LYS 20 1HZ LYS 20 6.832 -3.751 4.421
121 HZ3 LYS 20 2HZ LYS 20 5.933 -5.058 5.008
122 H GLY 21 H GLY 21 2.129 -5.338 1.611
123 HA2 GLY 21 1HA GLY 21 0.266 -5.949 -0.556
124 HA3 GLY 21 2HA GLY 21 0.067 -6.378 1.136
125 H PHE 22 H PHE 22 -1.635 -4.921 -0.928
126 HA PHE 22 HA PHE 22 -2.525 -2.837 0.902
127 HB2 PHE 22 1HB PHE 22 -1.965 -2.263 -2.016
128 HB3 PHE 22 2HB PHE 22 -2.648 -1.136 -0.848
129 HD1 PHE 22 HD1 PHE 22 -1.174 -0.705 1.274
130 HD2 PHE 22 HD2 PHE 22 0.296 -2.214 -2.424
131 HE1 PHE 22 HE1 PHE 22 1.090 0.050 1.871
132 HE2 PHE 22 HE2 PHE 22 2.563 -1.462 -1.833
133 HZ PHE 22 HZ PHE 22 2.963 -0.329 0.316
134 H TYR 23 H TYR 23 -4.594 -1.770 -0.138
135 HA TYR 23 HA TYR 23 -6.209 -3.923 -1.337
136 HB2 TYR 23 1HB TYR 23 -7.065 -1.940 0.781
137 HB3 TYR 23 2HB TYR 23 -8.128 -3.099 -0.008
138 HD1 TYR 23 HD1 TYR 23 -6.469 -5.525 -0.040
139 HD2 TYR 23 HD2 TYR 23 -6.984 -2.603 3.010
140 HE1 TYR 23 HE1 TYR 23 -5.900 -7.208 1.660
141 HE2 TYR 23 HE2 TYR 23 -6.416 -4.279 4.719
142 HH TYR 23 HH TYR 23 -5.221 -6.393 4.899
143 H THR 24 H THR 24 -5.461 -0.527 -1.171
144 HA THR 24 HA THR 24 -7.262 -0.043 -3.456
145 HB THR 24 HB THR 24 -7.338 2.317 -2.792
146 HG1 THR 24 HG1 THR 24 -5.477 1.420 -0.902
147 HG21 THR 24 3HG2 THR 24 -8.088 1.255 -0.209
148 HG22 THR 24 1HG2 THR 24 -8.601 0.185 -1.513
149 HG23 THR 24 2HG2 THR 24 -9.109 1.874 -1.507
150 H ASN 25 H ASN 25 -6.424 0.785 -5.293
151 HA ASN 25 HA ASN 25 -3.764 0.546 -5.938
152 HB2 ASN 25 1HB ASN 25 -5.199 0.745 -7.766
153 HB3 ASN 25 2HB ASN 25 -5.991 2.177 -7.114
154 HD21 ASN 25 1HD2 ASN 25 -2.850 1.047 -8.293
155 HD22 ASN 25 2HD2 ASN 25 -2.405 2.535 -9.050
156 H SER 26 H SER 26 -5.462 3.411 -4.745
157 HA SER 26 HA SER 26 -3.513 5.332 -5.041
158 HB2 SER 26 1HB SER 26 -5.771 5.825 -4.211
159 HB3 SER 26 2HB SER 26 -5.404 4.999 -2.697
160 HG SER 26 HG SER 26 -3.668 6.580 -2.466
161 H GLN 27 H GLN 27 -4.026 3.356 -2.112
162 HA GLN 27 HA GLN 27 -1.791 4.185 -0.702
163 HB2 GLN 27 1HB GLN 27 -3.488 1.739 -0.675
164 HB3 GLN 27 2HB GLN 27 -1.963 1.683 0.197
165 HG2 GLN 27 1HG GLN 27 -3.919 2.320 1.586
166 HG3 GLN 27 2HG GLN 27 -2.605 3.496 1.596
167 HE21 GLN 27 1HE2 GLN 27 -2.852 5.420 0.353
168 HE22 GLN 27 2HE2 GLN 27 -4.426 6.031 -0.010
169 H CYS 28 H CYS 28 -2.089 1.384 -2.879
170 HA CYS 28 HA CYS 28 0.430 0.326 -2.674
171 HB2 CYS 28 1HB CYS 28 -1.161 -0.817 -4.014
172 HB3 CYS 28 2HB CYS 28 -1.393 0.577 -5.062
173 HG CYS 28 HG CYS 28 1.760 -0.272 -5.203
174 H TYR 29 H TYR 29 -0.595 3.059 -4.680
175 HA TYR 29 HA TYR 29 1.979 3.454 -5.853
176 HB2 TYR 29 1HB TYR 29 -0.348 4.205 -6.725
177 HB3 TYR 29 2HB TYR 29 -0.124 5.593 -5.666
178 HD1 TYR 29 HD2 TYR 29 2.184 6.840 -5.956
179 HD2 TYR 29 HD1 TYR 29 0.409 4.340 -8.905
180 HE1 TYR 29 HE2 TYR 29 3.516 7.957 -7.696
181 HE2 TYR 29 HE1 TYR 29 1.737 5.449 -10.653
182 HH TYR 29 HH TYR 29 3.688 6.755 -10.933
183 H SER 30 H SER 30 0.211 4.923 -3.168
184 HA SER 30 HA SER 30 1.867 7.046 -2.569
185 HB2 SER 30 1HB SER 30 -0.350 6.294 -1.455
186 HB3 SER 30 2HB SER 30 0.684 5.347 -0.385
187 HG SER 30 HG SER 30 1.363 8.018 -0.776
188 H HIS 31 H HIS 31 2.073 3.754 -1.214
189 HA HIS 31 HA HIS 31 4.386 4.117 0.288
190 HB2 HIS 31 1HB HIS 31 3.340 2.119 0.770
191 HB3 HIS 31 2HB HIS 31 3.028 1.751 -0.924
192 HD1 HIS 31 HD1 HIS 31 5.549 1.316 1.771
193 HD2 HIS 31 HD2 HIS 31 5.163 0.489 -2.282
194 HE1 HIS 31 HE1 HIS 31 7.422 -0.271 1.227
195 H GLN 32 H GLN 32 4.040 3.011 -3.070
196 HA GLN 32 HA GLN 32 6.565 2.343 -3.762
197 HB2 GLN 32 1HB GLN 32 4.365 2.725 -5.192
198 HB3 GLN 32 2HB GLN 32 5.172 4.234 -5.601
199 HG2 GLN 32 1HG GLN 32 7.077 3.023 -6.462
200 HG3 GLN 32 2HG GLN 32 6.355 1.491 -5.970
201 HE21 GLN 32 1HE2 GLN 32 5.487 0.413 -7.574
202 HE22 GLN 32 2HE2 GLN 32 4.738 1.087 -8.977
203 H ARG 33 H ARG 33 5.340 5.644 -3.404
204 HA ARG 33 HA ARG 33 7.333 7.189 -4.364
205 HB2 ARG 33 1HB ARG 33 5.993 7.562 -1.679
206 HB3 ARG 33 2HB ARG 33 6.843 8.813 -2.577
207 HG2 ARG 33 1HG ARG 33 4.328 7.393 -3.425
208 HG3 ARG 33 2HG ARG 33 4.464 9.061 -2.864
209 HD2 ARG 33 1HD ARG 33 6.200 9.209 -4.851
210 HD3 ARG 33 2HD ARG 33 5.256 7.852 -5.464
211 HE ARG 33 HE ARG 33 3.588 9.318 -5.978
212 HH11 ARG 33 1HH1 ARG 33 5.668 10.788 -3.605
213 HH12 ARG 33 2HH1 ARG 33 4.862 12.322 -3.658
214 HH21 ARG 33 1HH2 ARG 33 2.519 11.332 -6.057
215 HH22 ARG 33 2HH2 ARG 33 3.071 12.629 -5.053
216 H SER 34 H SER 34 7.380 5.540 -1.221
217 HA SER 34 HA SER 34 9.691 6.468 -0.122
218 HB2 SER 34 1HB SER 34 8.188 4.763 0.905
219 HB3 SER 34 2HB SER 34 8.887 3.549 -0.167
220 HG SER 34 HG SER 34 9.808 3.794 2.041
221 H HIS 35 H HIS 35 9.453 3.806 -2.472
222 HA HIS 35 HA HIS 35 12.223 3.329 -2.666
223 HB2 HIS 35 1HB HIS 35 10.024 2.799 -4.675
224 HB3 HIS 35 2HB HIS 35 11.656 2.143 -4.770
225 HD1 HIS 35 HD1 HIS 35 12.327 0.451 -2.808
226 HD2 HIS 35 HD2 HIS 35 8.287 1.367 -3.121
227 HE1 HIS 35 HE1 HIS 35 11.131 -1.323 -1.486
228 H SER 36 H SER 36 10.033 5.338 -4.600
229 HA SER 36 HA SER 36 11.733 6.141 -6.611
230 HB2 SER 36 1HB SER 36 9.273 6.723 -6.316
231 HB3 SER 36 2HB SER 36 9.803 8.022 -5.247
232 HG SER 36 HG SER 36 9.866 9.059 -7.099
233 H GLY 37 H GLY 37 13.779 6.773 -6.335
234 HA2 GLY 37 1HA GLY 37 15.017 8.899 -5.885
235 HA3 GLY 37 2HA GLY 37 14.316 8.824 -4.275
236 H GLU 38 H GLU 38 14.663 6.243 -3.538
237 HA GLU 38 HA GLU 38 17.227 6.129 -2.567
238 HB2 GLU 38 1HB GLU 38 15.278 4.714 -1.847
239 HB3 GLU 38 2HB GLU 38 15.566 3.702 -3.255
240 HG2 GLU 38 1HG GLU 38 17.871 3.291 -2.389
241 HG3 GLU 38 2HG GLU 38 17.404 4.140 -0.917
242 H LYS 39 H LYS 39 19.170 5.678 -3.371
243 HA LYS 39 HA LYS 39 19.631 5.335 -6.109
244 HB2 LYS 39 1HB LYS 39 21.334 5.027 -3.660
245 HB3 LYS 39 2HB LYS 39 21.970 4.566 -5.234
246 HG2 LYS 39 1HG LYS 39 22.061 6.716 -5.986
247 HG3 LYS 39 2HG LYS 39 20.724 7.248 -4.962
248 HD2 LYS 39 1HD LYS 39 22.154 7.174 -3.006
249 HD3 LYS 39 2HD LYS 39 23.486 6.534 -3.972
250 HE2 LYS 39 1HE LYS 39 23.760 8.558 -5.129
251 HE3 LYS 39 2HE LYS 39 22.185 9.163 -4.617
252 HZ1 LYS 39 3HZ LYS 39 24.709 9.390 -3.320
253 HZ2 LYS 39 1HZ LYS 39 23.561 8.693 -2.291
254 HZ3 LYS 39 2HZ LYS 39 23.260 10.201 -2.995
255 HA PRO 40 HA PRO 40 18.917 1.023 -6.706
256 HB2 PRO 40 1HB PRO 40 20.263 0.729 -9.045
257 HB3 PRO 40 2HB PRO 40 18.692 1.531 -8.935
258 HG2 PRO 40 1HG PRO 40 21.428 2.737 -9.071
259 HG3 PRO 40 2HG PRO 40 19.946 3.229 -9.911
260 HD2 PRO 40 1HD PRO 40 20.855 4.495 -7.697
261 HD3 PRO 40 2HD PRO 40 19.125 4.349 -8.071
262 H SER 41 H SER 41 22.154 2.384 -6.759
263 HA SER 41 HA SER 41 23.177 -0.028 -5.494
264 HB2 SER 41 1HB SER 41 24.259 1.061 -8.098
265 HB3 SER 41 2HB SER 41 25.156 -0.051 -7.065
266 HG SER 41 HG SER 41 22.915 -1.228 -7.300
267 H GLY 42 H GLY 42 24.473 0.497 -3.858
268 HA2 GLY 42 1HA GLY 42 25.449 3.264 -3.708
269 HA3 GLY 42 2HA GLY 42 25.243 2.174 -2.345
270 HA PRO 43 HA PRO 43 29.533 1.737 -4.614
271 HB2 PRO 43 1HB PRO 43 30.781 4.135 -4.369
272 HB3 PRO 43 2HB PRO 43 29.837 3.685 -5.793
273 HG2 PRO 43 1HG PRO 43 29.046 5.378 -3.454
274 HG3 PRO 43 2HG PRO 43 28.739 5.641 -5.181
275 HD2 PRO 43 1HD PRO 43 26.863 4.641 -3.503
276 HD3 PRO 43 2HD PRO 43 26.956 4.180 -5.215
277 H SER 44 H SER 44 28.617 3.621 -1.797
278 HA SER 44 HA SER 44 31.032 3.353 -0.357
279 HB2 SER 44 1HB SER 44 29.662 3.951 1.625
280 HB3 SER 44 2HB SER 44 29.376 5.030 0.260
281 HG SER 44 HG SER 44 27.694 2.940 0.145
282 H SER 45 H SER 45 31.730 1.854 1.108
283 HA SER 45 HA SER 45 30.191 -0.655 1.212
284 HB2 SER 45 1HB SER 45 33.171 -0.305 1.608
285 HB3 SER 45 2HB SER 45 32.292 -1.829 1.487
286 HG SER 45 HG SER 45 33.415 -0.872 -0.471
287 H GLY 46 H GLY 46 29.737 -1.597 3.147
288 HA2 GLY 46 1HA GLY 46 29.293 -0.235 5.419
289 HA3 GLY 46 2HA GLY 46 29.746 -1.933 5.444
Start of MODEL 15
1 H1 GLY 1 H GLY 1 12.334 -10.865 6.672
2 HA2 GLY 1 1HA GLY 1 10.581 -12.753 7.634
3 HA3 GLY 1 2HA GLY 1 9.571 -11.384 7.194
4 H SER 2 H SER 2 9.680 -14.079 6.045
5 HA SER 2 HA SER 2 9.720 -13.296 3.275
6 HB2 SER 2 1HB SER 2 11.806 -15.149 4.399
7 HB3 SER 2 2HB SER 2 11.269 -15.308 2.727
8 HG SER 2 HG SER 2 13.096 -13.931 2.939
9 H SER 3 H SER 3 8.791 -14.901 1.875
10 HA SER 3 HA SER 3 6.733 -16.409 3.178
11 HB2 SER 3 1HB SER 3 6.569 -15.195 0.924
12 HB3 SER 3 2HB SER 3 7.435 -16.576 0.249
13 HG SER 3 HG SER 3 5.713 -17.794 0.494
14 H GLY 4 H GLY 4 6.307 -18.721 2.233
15 HA2 GLY 4 1HA GLY 4 8.614 -20.326 1.679
16 HA3 GLY 4 2HA GLY 4 8.081 -20.494 3.346
17 H SER 5 H SER 5 5.315 -20.312 2.974
18 HA SER 5 HA SER 5 4.785 -22.739 1.387
19 HB2 SER 5 1HB SER 5 4.599 -23.245 3.753
20 HB3 SER 5 2HB SER 5 3.530 -21.865 4.000
21 HG SER 5 HG SER 5 3.010 -24.248 2.565
22 H SER 6 H SER 6 2.544 -22.948 0.611
23 HA SER 6 HA SER 6 1.709 -20.541 -0.680
24 HB2 SER 6 1HB SER 6 1.548 -22.971 -1.553
25 HB3 SER 6 2HB SER 6 0.076 -23.069 -0.587
26 HG SER 6 HG SER 6 -0.569 -22.385 -2.567
27 H GLY 7 H GLY 7 -0.867 -20.256 -0.733
28 HA2 GLY 7 1HA GLY 7 -2.860 -20.193 0.634
29 HA3 GLY 7 2HA GLY 7 -1.826 -20.209 2.055
30 H SER 8 H SER 8 -2.532 -18.357 3.015
31 HA SER 8 HA SER 8 -3.173 -15.957 1.767
32 HB2 SER 8 1HB SER 8 -2.293 -16.676 4.542
33 HB3 SER 8 2HB SER 8 -2.456 -14.977 4.095
34 HG SER 8 HG SER 8 -4.586 -15.226 3.844
35 H GLY 9 H GLY 9 -1.713 -15.358 0.189
36 HA2 GLY 9 1HA GLY 9 0.585 -13.895 1.118
37 HA3 GLY 9 2HA GLY 9 1.012 -15.336 0.207
38 H GLU 10 H GLU 10 -1.667 -13.056 -0.272
39 HA GLU 10 HA GLU 10 -0.437 -11.835 -2.555
40 HB2 GLU 10 1HB GLU 10 -1.534 -12.836 -4.290
41 HB3 GLU 10 2HB GLU 10 -1.441 -14.210 -3.198
42 HG2 GLU 10 1HG GLU 10 -3.701 -13.855 -2.471
43 HG3 GLU 10 2HG GLU 10 -3.808 -12.365 -3.408
44 H LYS 11 H LYS 11 -1.885 -10.248 -3.598
45 HA LYS 11 HA LYS 11 -4.305 -9.541 -2.172
46 HB2 LYS 11 1HB LYS 11 -1.748 -8.056 -1.873
47 HB3 LYS 11 2HB LYS 11 -3.211 -7.097 -2.060
48 HG2 LYS 11 1HG LYS 11 -4.160 -7.963 -0.095
49 HG3 LYS 11 2HG LYS 11 -2.989 -9.282 -0.015
50 HD2 LYS 11 1HD LYS 11 -1.215 -7.745 0.512
51 HD3 LYS 11 2HD LYS 11 -2.281 -6.362 0.258
52 HE2 LYS 11 1HE LYS 11 -3.511 -6.811 2.198
53 HE3 LYS 11 2HE LYS 11 -2.909 -8.464 2.304
54 HZ1 LYS 11 3HZ LYS 11 -0.854 -7.744 3.085
55 HZ2 LYS 11 1HZ LYS 11 -1.952 -6.746 3.899
56 HZ3 LYS 11 2HZ LYS 11 -1.092 -6.150 2.570
57 HA PRO 12 HA PRO 12 -5.537 -7.884 -6.043
58 HB2 PRO 12 1HB PRO 12 -7.010 -5.718 -5.329
59 HB3 PRO 12 2HB PRO 12 -7.563 -7.379 -5.085
60 HG2 PRO 12 1HG PRO 12 -6.315 -5.492 -3.126
61 HG3 PRO 12 2HG PRO 12 -7.694 -6.584 -2.904
62 HD2 PRO 12 1HD PRO 12 -5.206 -7.181 -2.019
63 HD3 PRO 12 2HD PRO 12 -6.345 -8.424 -2.575
64 H PHE 13 H PHE 13 -3.590 -6.013 -3.938
65 HA PHE 13 HA PHE 13 -2.378 -4.635 -6.141
66 HB2 PHE 13 1HB PHE 13 -3.853 -3.017 -4.052
67 HB3 PHE 13 2HB PHE 13 -2.777 -2.353 -5.278
68 HD1 PHE 13 HD2 PHE 13 -5.986 -4.089 -4.737
69 HD2 PHE 13 HD1 PHE 13 -3.520 -1.972 -7.486
70 HE1 PHE 13 HE2 PHE 13 -7.880 -3.915 -6.297
71 HE2 PHE 13 HE1 PHE 13 -5.411 -1.794 -9.050
72 HZ PHE 13 HZ PHE 13 -7.594 -2.767 -8.457
73 H LYS 14 H LYS 14 -0.301 -4.903 -5.697
74 HA LYS 14 HA LYS 14 0.653 -4.291 -2.987
75 HB2 LYS 14 1HB LYS 14 2.282 -6.187 -3.215
76 HB3 LYS 14 2HB LYS 14 0.603 -6.681 -3.046
77 HG2 LYS 14 1HG LYS 14 1.213 -8.053 -4.743
78 HG3 LYS 14 2HG LYS 14 0.714 -6.650 -5.692
79 HD2 LYS 14 1HD LYS 14 2.918 -5.998 -6.104
80 HD3 LYS 14 2HD LYS 14 3.552 -6.966 -4.771
81 HE2 LYS 14 1HE LYS 14 2.546 -8.947 -6.196
82 HE3 LYS 14 2HE LYS 14 2.743 -7.794 -7.515
83 HZ1 LYS 14 3HZ LYS 14 5.096 -7.715 -6.076
84 HZ2 LYS 14 1HZ LYS 14 4.855 -8.409 -7.599
85 HZ3 LYS 14 2HZ LYS 14 4.710 -9.356 -6.206
86 H CYS 15 H CYS 15 3.038 -3.922 -2.931
87 HA CYS 15 HA CYS 15 3.771 -2.024 -4.900
88 HB2 CYS 15 1HB CYS 15 4.533 -1.940 -2.539
89 HB3 CYS 15 2HB CYS 15 5.528 -3.363 -2.832
90 H GLU 16 H GLU 16 5.505 -2.084 -6.395
91 HA GLU 16 HA GLU 16 5.903 -4.731 -7.554
92 HB2 GLU 16 1HB GLU 16 6.241 -3.697 -9.568
93 HB3 GLU 16 2HB GLU 16 5.245 -2.479 -8.784
94 HG2 GLU 16 1HG GLU 16 6.893 -1.137 -9.550
95 HG3 GLU 16 2HG GLU 16 7.614 -1.584 -8.005
96 H GLU 17 H GLU 17 7.632 -2.264 -5.849
97 HA GLU 17 HA GLU 17 10.260 -3.064 -6.588
98 HB2 GLU 17 1HB GLU 17 9.150 -1.409 -4.334
99 HB3 GLU 17 2HB GLU 17 10.863 -1.790 -4.435
100 HG2 GLU 17 1HG GLU 17 9.350 -0.462 -6.663
101 HG3 GLU 17 2HG GLU 17 10.161 0.432 -5.378
102 H CYS 18 H CYS 18 8.517 -3.456 -3.497
103 HA CYS 18 HA CYS 18 10.224 -5.777 -2.918
104 HB2 CYS 18 1HB CYS 18 9.364 -5.471 -0.562
105 HB3 CYS 18 2HB CYS 18 10.361 -4.155 -1.175
106 H GLY 19 H GLY 19 6.834 -4.710 -2.633
107 HA2 GLY 19 1HA GLY 19 5.282 -6.395 -3.753
108 HA3 GLY 19 2HA GLY 19 6.036 -7.550 -2.664
109 H LYS 20 H LYS 20 5.750 -4.523 -1.227
110 HA LYS 20 HA LYS 20 4.295 -5.175 0.932
111 HB2 LYS 20 1HB LYS 20 5.304 -2.893 0.236
112 HB3 LYS 20 2HB LYS 20 3.711 -2.560 -0.431
113 HG2 LYS 20 1HG LYS 20 3.427 -1.669 1.631
114 HG3 LYS 20 2HG LYS 20 2.950 -3.330 1.988
115 HD2 LYS 20 1HD LYS 20 5.825 -2.621 2.239
116 HD3 LYS 20 2HD LYS 20 4.716 -2.025 3.476
117 HE2 LYS 20 1HE LYS 20 3.896 -4.388 3.727
118 HE3 LYS 20 2HE LYS 20 5.221 -4.885 2.676
119 HZ1 LYS 20 3HZ LYS 20 5.568 -3.416 5.232
120 HZ2 LYS 20 1HZ LYS 20 6.797 -4.043 4.253
121 HZ3 LYS 20 2HZ LYS 20 5.740 -5.090 5.058
122 H GLY 21 H GLY 21 2.175 -5.398 1.554
123 HA2 GLY 21 1HA GLY 21 0.295 -5.943 -0.605
124 HA3 GLY 21 2HA GLY 21 0.080 -6.346 1.092
125 H PHE 22 H PHE 22 -1.653 -4.940 -0.921
126 HA PHE 22 HA PHE 22 -2.464 -2.784 0.850
127 HB2 PHE 22 1HB PHE 22 -1.958 -2.271 -2.087
128 HB3 PHE 22 2HB PHE 22 -2.561 -1.109 -0.911
129 HD1 PHE 22 HD1 PHE 22 -1.015 -0.631 1.116
130 HD2 PHE 22 HD2 PHE 22 0.303 -2.378 -2.534
131 HE1 PHE 22 HE1 PHE 22 1.293 0.053 1.626
132 HE2 PHE 22 HE2 PHE 22 2.612 -1.698 -2.030
133 HZ PHE 22 HZ PHE 22 3.110 -0.481 0.053
134 H TYR 23 H TYR 23 -4.501 -1.670 -0.303
135 HA TYR 23 HA TYR 23 -6.167 -3.815 -1.437
136 HB2 TYR 23 1HB TYR 23 -6.980 -1.860 0.724
137 HB3 TYR 23 2HB TYR 23 -8.061 -3.000 -0.069
138 HD1 TYR 23 HD1 TYR 23 -6.415 -5.435 -0.160
139 HD2 TYR 23 HD2 TYR 23 -6.878 -2.559 2.942
140 HE1 TYR 23 HE1 TYR 23 -5.835 -7.148 1.506
141 HE2 TYR 23 HE2 TYR 23 -6.298 -4.264 4.617
142 HH TYR 23 HH TYR 23 -5.321 -6.342 4.867
143 H THR 24 H THR 24 -5.483 -0.394 -1.146
144 HA THR 24 HA THR 24 -7.219 0.107 -3.476
145 HB THR 24 HB THR 24 -7.360 2.465 -2.710
146 HG1 THR 24 HG1 THR 24 -5.405 1.756 -1.112
147 HG21 THR 24 3HG2 THR 24 -8.351 1.158 -0.310
148 HG22 THR 24 1HG2 THR 24 -8.756 0.263 -1.774
149 HG23 THR 24 2HG2 THR 24 -9.240 1.951 -1.610
150 H ASN 25 H ASN 25 -6.254 0.789 -5.277
151 HA ASN 25 HA ASN 25 -3.624 0.762 -5.835
152 HB2 ASN 25 1HB ASN 25 -4.168 2.633 -7.561
153 HB3 ASN 25 2HB ASN 25 -5.000 1.085 -7.689
154 HD21 ASN 25 1HD2 ASN 25 -7.111 1.166 -7.910
155 HD22 ASN 25 2HD2 ASN 25 -8.132 2.484 -7.459
156 H SER 26 H SER 26 -5.379 3.589 -4.602
157 HA SER 26 HA SER 26 -3.427 5.505 -4.671
158 HB2 SER 26 1HB SER 26 -5.439 5.010 -2.464
159 HB3 SER 26 2HB SER 26 -4.522 6.502 -2.669
160 HG SER 26 HG SER 26 -6.622 5.469 -4.198
161 H GLN 27 H GLN 27 -3.984 3.208 -2.004
162 HA GLN 27 HA GLN 27 -1.813 3.996 -0.426
163 HB2 GLN 27 1HB GLN 27 -3.484 1.531 -0.620
164 HB3 GLN 27 2HB GLN 27 -2.011 1.472 0.340
165 HG2 GLN 27 1HG GLN 27 -2.826 3.405 1.641
166 HG3 GLN 27 2HG GLN 27 -4.330 3.350 0.723
167 HE21 GLN 27 1HE2 GLN 27 -5.916 2.383 1.744
168 HE22 GLN 27 2HE2 GLN 27 -5.768 1.083 2.872
169 H CYS 28 H CYS 28 -2.055 1.367 -2.810
170 HA CYS 28 HA CYS 28 0.469 0.295 -2.589
171 HB2 CYS 28 1HB CYS 28 -1.143 -0.759 -4.010
172 HB3 CYS 28 2HB CYS 28 -1.265 0.668 -5.032
173 HG CYS 28 HG CYS 28 0.491 -0.091 -6.733
174 H TYR 29 H TYR 29 -0.542 3.076 -4.545
175 HA TYR 29 HA TYR 29 1.991 3.562 -5.702
176 HB2 TYR 29 1HB TYR 29 -0.319 4.458 -6.417
177 HB3 TYR 29 2HB TYR 29 -0.065 5.704 -5.200
178 HD1 TYR 29 HD2 TYR 29 2.604 6.570 -5.417
179 HD2 TYR 29 HD1 TYR 29 0.036 5.256 -8.544
180 HE1 TYR 29 HE2 TYR 29 3.909 7.887 -7.033
181 HE2 TYR 29 HE1 TYR 29 1.334 6.569 -10.170
182 HH TYR 29 HH TYR 29 4.026 7.461 -10.083
183 H SER 30 H SER 30 0.316 5.182 -3.003
184 HA SER 30 HA SER 30 2.087 7.058 -2.235
185 HB2 SER 30 1HB SER 30 -0.057 6.446 -1.058
186 HB3 SER 30 2HB SER 30 0.832 5.158 -0.245
187 HG SER 30 HG SER 30 0.662 7.685 0.466
188 H HIS 31 H HIS 31 2.310 3.629 -1.311
189 HA HIS 31 HA HIS 31 4.815 3.946 0.021
190 HB2 HIS 31 1HB HIS 31 3.591 2.121 0.799
191 HB3 HIS 31 2HB HIS 31 3.152 1.596 -0.824
192 HD1 HIS 31 HD1 HIS 31 5.551 0.995 1.852
193 HD2 HIS 31 HD2 HIS 31 5.376 0.353 -2.249
194 HE1 HIS 31 HE1 HIS 31 7.355 -0.686 1.357
195 H GLN 32 H GLN 32 3.848 2.662 -3.144
196 HA GLN 32 HA GLN 32 6.255 1.748 -4.089
197 HB2 GLN 32 1HB GLN 32 3.847 2.930 -5.366
198 HB3 GLN 32 2HB GLN 32 5.293 2.793 -6.357
199 HG2 GLN 32 1HG GLN 32 5.278 0.332 -5.388
200 HG3 GLN 32 2HG GLN 32 3.557 0.676 -5.225
201 HE21 GLN 32 1HE2 GLN 32 2.907 -0.750 -6.789
202 HE22 GLN 32 2HE2 GLN 32 3.230 -0.521 -8.470
203 H ARG 33 H ARG 33 5.054 5.085 -4.136
204 HA ARG 33 HA ARG 33 7.324 6.155 -5.470
205 HB2 ARG 33 1HB ARG 33 6.388 8.289 -5.043
206 HB3 ARG 33 2HB ARG 33 5.025 7.209 -5.304
207 HG2 ARG 33 1HG ARG 33 4.334 7.325 -3.133
208 HG3 ARG 33 2HG ARG 33 5.958 7.639 -2.518
209 HD2 ARG 33 1HD ARG 33 4.711 9.689 -4.269
210 HD3 ARG 33 2HD ARG 33 4.097 9.528 -2.624
211 HE ARG 33 HE ARG 33 6.920 9.664 -2.607
212 HH11 ARG 33 1HH1 ARG 33 4.092 11.637 -3.085
213 HH12 ARG 33 2HH1 ARG 33 4.863 13.098 -2.565
214 HH21 ARG 33 1HH2 ARG 33 7.947 11.581 -1.920
215 HH22 ARG 33 2HH2 ARG 33 7.056 13.066 -1.903
216 H SER 34 H SER 34 6.639 5.331 -2.187
217 HA SER 34 HA SER 34 8.420 7.022 -0.842
218 HB2 SER 34 1HB SER 34 6.678 5.549 0.222
219 HB3 SER 34 2HB SER 34 7.748 4.177 -0.062
220 HG SER 34 HG SER 34 9.341 5.625 1.121
221 H HIS 35 H HIS 35 8.910 3.785 -2.214
222 HA HIS 35 HA HIS 35 11.395 3.114 -1.421
223 HB2 HIS 35 1HB HIS 35 9.970 2.802 -4.015
224 HB3 HIS 35 2HB HIS 35 11.688 2.419 -3.985
225 HD1 HIS 35 HD1 HIS 35 12.328 0.659 -1.932
226 HD2 HIS 35 HD2 HIS 35 8.409 0.714 -3.311
227 HE1 HIS 35 HE1 HIS 35 11.323 -1.524 -1.190
228 H SER 36 H SER 36 10.758 5.254 -4.202
229 HA SER 36 HA SER 36 13.515 5.940 -4.513
230 HB2 SER 36 1HB SER 36 11.877 5.970 -6.389
231 HB3 SER 36 2HB SER 36 11.081 7.350 -5.632
232 HG SER 36 HG SER 36 12.495 8.524 -6.629
233 H GLY 37 H GLY 37 14.426 6.929 -2.788
234 HA2 GLY 37 1HA GLY 37 14.269 9.613 -2.350
235 HA3 GLY 37 2HA GLY 37 13.044 8.952 -1.277
236 H GLU 38 H GLU 38 13.751 7.323 0.297
237 HA GLU 38 HA GLU 38 16.564 7.730 1.079
238 HB2 GLU 38 1HB GLU 38 14.048 7.836 2.673
239 HB3 GLU 38 2HB GLU 38 15.486 7.186 3.447
240 HG2 GLU 38 1HG GLU 38 15.095 9.932 2.296
241 HG3 GLU 38 2HG GLU 38 15.376 9.489 3.979
242 H LYS 39 H LYS 39 17.173 5.973 2.806
243 HA LYS 39 HA LYS 39 15.993 3.378 2.274
244 HB2 LYS 39 1HB LYS 39 18.095 2.354 1.553
245 HB3 LYS 39 2HB LYS 39 17.594 3.616 0.435
246 HG2 LYS 39 1HG LYS 39 19.166 5.116 1.886
247 HG3 LYS 39 2HG LYS 39 19.884 3.568 2.338
248 HD2 LYS 39 1HD LYS 39 19.399 4.116 -0.547
249 HD3 LYS 39 2HD LYS 39 20.746 4.934 0.247
250 HE2 LYS 39 1HE LYS 39 21.766 3.015 -0.509
251 HE3 LYS 39 2HE LYS 39 21.305 2.539 1.125
252 HZ1 LYS 39 3HZ LYS 39 19.151 1.755 -0.114
253 HZ2 LYS 39 1HZ LYS 39 20.528 0.773 -0.057
254 HZ3 LYS 39 2HZ LYS 39 20.193 1.680 -1.445
255 HA PRO 40 HA PRO 40 17.143 2.731 6.469
256 HB2 PRO 40 1HB PRO 40 17.158 0.017 6.528
257 HB3 PRO 40 2HB PRO 40 15.670 0.968 6.452
258 HG2 PRO 40 1HG PRO 40 17.149 -0.416 4.247
259 HG3 PRO 40 2HG PRO 40 15.404 -0.354 4.558
260 HD2 PRO 40 1HD PRO 40 16.609 1.206 2.702
261 HD3 PRO 40 2HD PRO 40 15.183 1.737 3.615
262 H SER 41 H SER 41 18.875 2.100 7.792
263 HA SER 41 HA SER 41 21.380 1.691 6.345
264 HB2 SER 41 1HB SER 41 20.933 3.507 8.176
265 HB3 SER 41 2HB SER 41 21.218 2.180 9.302
266 HG SER 41 HG SER 41 23.257 1.885 8.333
267 H GLY 42 H GLY 42 19.705 -0.550 6.473
268 HA2 GLY 42 1HA GLY 42 20.313 -2.282 8.630
269 HA3 GLY 42 2HA GLY 42 19.696 -2.772 7.059
270 HA PRO 43 HA PRO 43 23.924 -4.554 7.426
271 HB2 PRO 43 1HB PRO 43 23.271 -6.902 6.230
272 HB3 PRO 43 2HB PRO 43 23.035 -6.605 7.956
273 HG2 PRO 43 1HG PRO 43 21.048 -6.468 5.722
274 HG3 PRO 43 2HG PRO 43 20.864 -7.167 7.341
275 HD2 PRO 43 1HD PRO 43 19.895 -4.724 6.691
276 HD3 PRO 43 2HD PRO 43 20.481 -5.116 8.321
277 H SER 44 H SER 44 25.344 -3.931 5.937
278 HA SER 44 HA SER 44 25.037 -4.631 3.171
279 HB2 SER 44 1HB SER 44 24.604 -1.815 4.090
280 HB3 SER 44 2HB SER 44 25.412 -2.096 2.547
281 HG SER 44 HG SER 44 22.884 -2.016 2.873
282 H SER 45 H SER 45 26.962 -4.475 2.009
283 HA SER 45 HA SER 45 29.326 -4.893 3.311
284 HB2 SER 45 1HB SER 45 28.852 -5.218 0.844
285 HB3 SER 45 2HB SER 45 29.165 -3.495 0.635
286 HG SER 45 HG SER 45 30.996 -4.979 0.308
287 H GLY 46 H GLY 46 30.482 -3.676 4.641
288 HA2 GLY 46 1HA GLY 46 31.840 -1.819 5.157
289 HA3 GLY 46 2HA GLY 46 30.952 -0.870 3.974
Start of MODEL 16
1 H1 GLY 1 H GLY 1 14.949 -13.760 -10.448
2 HA2 GLY 1 1HA GLY 1 12.726 -12.040 -11.328
3 HA3 GLY 1 2HA GLY 1 12.591 -13.747 -10.931
4 H SER 2 H SER 2 10.793 -12.057 -9.845
5 HA SER 2 HA SER 2 11.661 -11.881 -7.034
6 HB2 SER 2 1HB SER 2 9.691 -10.050 -8.425
7 HB3 SER 2 2HB SER 2 10.204 -9.943 -6.741
8 HG SER 2 HG SER 2 12.208 -9.932 -8.667
9 H SER 3 H SER 3 10.724 -13.503 -5.982
10 HA SER 3 HA SER 3 7.868 -14.024 -6.491
11 HB2 SER 3 1HB SER 3 9.922 -16.091 -5.674
12 HB3 SER 3 2HB SER 3 8.230 -16.382 -6.077
13 HG SER 3 HG SER 3 9.615 -16.847 -7.835
14 H GLY 4 H GLY 4 6.572 -13.837 -4.779
15 HA2 GLY 4 1HA GLY 4 7.645 -13.067 -2.239
16 HA3 GLY 4 2HA GLY 4 5.946 -13.292 -2.627
17 H SER 5 H SER 5 7.706 -14.156 -0.324
18 HA SER 5 HA SER 5 8.357 -16.736 -0.102
19 HB2 SER 5 1HB SER 5 6.828 -14.974 1.784
20 HB3 SER 5 2HB SER 5 7.131 -16.657 2.214
21 HG SER 5 HG SER 5 9.201 -14.929 1.367
22 H SER 6 H SER 6 7.333 -18.724 0.369
23 HA SER 6 HA SER 6 5.026 -19.248 -1.175
24 HB2 SER 6 1HB SER 6 6.475 -20.916 0.890
25 HB3 SER 6 2HB SER 6 5.138 -21.522 -0.088
26 HG SER 6 HG SER 6 6.706 -21.995 -1.422
27 H GLY 7 H GLY 7 3.207 -20.665 -0.065
28 HA2 GLY 7 1HA GLY 7 1.566 -20.864 1.587
29 HA3 GLY 7 2HA GLY 7 2.394 -19.631 2.526
30 H SER 8 H SER 8 0.194 -18.823 2.874
31 HA SER 8 HA SER 8 -1.096 -17.572 0.589
32 HB2 SER 8 1HB SER 8 -2.554 -18.660 2.181
33 HB3 SER 8 2HB SER 8 -1.866 -17.729 3.512
34 HG SER 8 HG SER 8 -2.826 -15.903 2.728
35 H GLY 9 H GLY 9 -0.962 -15.476 0.067
36 HA2 GLY 9 1HA GLY 9 -0.626 -13.330 1.812
37 HA3 GLY 9 2HA GLY 9 0.978 -13.808 1.277
38 H GLU 10 H GLU 10 -2.050 -13.853 -0.559
39 HA GLU 10 HA GLU 10 -0.769 -12.110 -2.542
40 HB2 GLU 10 1HB GLU 10 -1.606 -14.332 -3.288
41 HB3 GLU 10 2HB GLU 10 -3.233 -13.834 -2.843
42 HG2 GLU 10 1HG GLU 10 -3.232 -13.415 -5.091
43 HG3 GLU 10 2HG GLU 10 -2.765 -11.841 -4.450
44 H LYS 11 H LYS 11 -1.892 -10.346 -3.449
45 HA LYS 11 HA LYS 11 -4.357 -9.493 -2.136
46 HB2 LYS 11 1HB LYS 11 -1.714 -8.127 -1.927
47 HB3 LYS 11 2HB LYS 11 -3.153 -7.126 -2.069
48 HG2 LYS 11 1HG LYS 11 -4.022 -7.870 -0.045
49 HG3 LYS 11 2HG LYS 11 -2.991 -9.303 -0.021
50 HD2 LYS 11 1HD LYS 11 -1.023 -7.817 0.263
51 HD3 LYS 11 2HD LYS 11 -2.121 -6.439 0.367
52 HE2 LYS 11 1HE LYS 11 -1.814 -6.913 2.592
53 HE3 LYS 11 2HE LYS 11 -3.250 -7.876 2.246
54 HZ1 LYS 11 3HZ LYS 11 -0.830 -8.763 3.262
55 HZ2 LYS 11 1HZ LYS 11 -0.929 -9.382 1.691
56 HZ3 LYS 11 2HZ LYS 11 -2.160 -9.703 2.805
57 HA PRO 12 HA PRO 12 -5.463 -7.939 -6.088
58 HB2 PRO 12 1HB PRO 12 -6.871 -5.704 -5.461
59 HB3 PRO 12 2HB PRO 12 -7.486 -7.337 -5.179
60 HG2 PRO 12 1HG PRO 12 -6.204 -5.437 -3.253
61 HG3 PRO 12 2HG PRO 12 -7.624 -6.475 -3.024
62 HD2 PRO 12 1HD PRO 12 -5.172 -7.131 -2.080
63 HD3 PRO 12 2HD PRO 12 -6.345 -8.349 -2.620
64 H PHE 13 H PHE 13 -3.763 -5.802 -3.909
65 HA PHE 13 HA PHE 13 -2.437 -4.563 -6.192
66 HB2 PHE 13 1HB PHE 13 -3.790 -2.974 -4.002
67 HB3 PHE 13 2HB PHE 13 -2.706 -2.295 -5.212
68 HD1 PHE 13 HD2 PHE 13 -5.931 -4.068 -4.782
69 HD2 PHE 13 HD1 PHE 13 -3.504 -1.651 -7.310
70 HE1 PHE 13 HE2 PHE 13 -7.837 -3.752 -6.305
71 HE2 PHE 13 HE1 PHE 13 -5.407 -1.330 -8.836
72 HZ PHE 13 HZ PHE 13 -7.577 -2.382 -8.335
73 H LYS 14 H LYS 14 -0.360 -4.959 -5.843
74 HA LYS 14 HA LYS 14 0.728 -4.480 -3.153
75 HB2 LYS 14 1HB LYS 14 2.314 -6.387 -3.580
76 HB3 LYS 14 2HB LYS 14 0.637 -6.856 -3.333
77 HG2 LYS 14 1HG LYS 14 0.353 -7.063 -5.763
78 HG3 LYS 14 2HG LYS 14 2.053 -6.640 -5.983
79 HD2 LYS 14 1HD LYS 14 1.338 -8.906 -4.177
80 HD3 LYS 14 2HD LYS 14 1.292 -9.151 -5.925
81 HE2 LYS 14 1HE LYS 14 3.572 -8.774 -6.162
82 HE3 LYS 14 2HE LYS 14 3.688 -7.908 -4.631
83 HZ1 LYS 14 3HZ LYS 14 2.832 -10.647 -4.370
84 HZ2 LYS 14 1HZ LYS 14 4.009 -9.794 -3.505
85 HZ3 LYS 14 2HZ LYS 14 4.392 -10.479 -5.003
86 H CYS 15 H CYS 15 3.038 -4.001 -3.127
87 HA CYS 15 HA CYS 15 3.736 -2.122 -5.140
88 HB2 CYS 15 1HB CYS 15 4.435 -1.926 -2.766
89 HB3 CYS 15 2HB CYS 15 5.489 -3.319 -2.984
90 H GLU 16 H GLU 16 5.552 -2.168 -6.556
91 HA GLU 16 HA GLU 16 6.044 -4.833 -7.637
92 HB2 GLU 16 1HB GLU 16 6.448 -3.838 -9.660
93 HB3 GLU 16 2HB GLU 16 5.393 -2.627 -8.947
94 HG2 GLU 16 1HG GLU 16 7.509 -1.470 -8.155
95 HG3 GLU 16 2HG GLU 16 8.375 -2.554 -9.243
96 H GLU 17 H GLU 17 7.666 -2.279 -5.946
97 HA GLU 17 HA GLU 17 10.332 -3.063 -6.555
98 HB2 GLU 17 1HB GLU 17 9.108 -1.344 -4.411
99 HB3 GLU 17 2HB GLU 17 10.828 -1.707 -4.420
100 HG2 GLU 17 1HG GLU 17 9.322 -0.377 -6.661
101 HG3 GLU 17 2HG GLU 17 10.309 0.452 -5.458
102 H CYS 18 H CYS 18 8.504 -3.353 -3.502
103 HA CYS 18 HA CYS 18 10.218 -5.623 -2.775
104 HB2 CYS 18 1HB CYS 18 9.203 -5.253 -0.474
105 HB3 CYS 18 2HB CYS 18 10.252 -3.971 -1.072
106 H GLY 19 H GLY 19 6.792 -4.636 -2.625
107 HA2 GLY 19 1HA GLY 19 5.246 -6.288 -3.715
108 HA3 GLY 19 2HA GLY 19 6.083 -7.501 -2.759
109 H LYS 20 H LYS 20 5.561 -4.450 -1.273
110 HA LYS 20 HA LYS 20 4.312 -5.340 0.975
111 HB2 LYS 20 1HB LYS 20 5.098 -2.929 0.191
112 HB3 LYS 20 2HB LYS 20 3.380 -2.729 -0.127
113 HG2 LYS 20 1HG LYS 20 3.379 -2.005 2.005
114 HG3 LYS 20 2HG LYS 20 3.244 -3.731 2.349
115 HD2 LYS 20 1HD LYS 20 5.981 -2.663 2.020
116 HD3 LYS 20 2HD LYS 20 5.104 -2.144 3.460
117 HE2 LYS 20 1HE LYS 20 5.056 -5.032 2.772
118 HE3 LYS 20 2HE LYS 20 6.559 -4.366 3.407
119 HZ1 LYS 20 3HZ LYS 20 4.035 -3.795 4.798
120 HZ2 LYS 20 1HZ LYS 20 5.605 -3.889 5.420
121 HZ3 LYS 20 2HZ LYS 20 4.770 -5.303 5.013
122 H GLY 21 H GLY 21 2.088 -5.168 1.741
123 HA2 GLY 21 1HA GLY 21 0.215 -6.026 -0.355
124 HA3 GLY 21 2HA GLY 21 0.051 -6.353 1.364
125 H PHE 22 H PHE 22 -1.643 -4.984 -0.809
126 HA PHE 22 HA PHE 22 -2.594 -2.864 0.940
127 HB2 PHE 22 1HB PHE 22 -1.884 -2.327 -1.952
128 HB3 PHE 22 2HB PHE 22 -2.646 -1.188 -0.847
129 HD1 PHE 22 HD1 PHE 22 -1.283 -0.827 1.411
130 HD2 PHE 22 HD2 PHE 22 0.373 -2.141 -2.283
131 HE1 PHE 22 HE1 PHE 22 0.934 -0.038 2.129
132 HE2 PHE 22 HE2 PHE 22 2.593 -1.356 -1.571
133 HZ PHE 22 HZ PHE 22 2.876 -0.304 0.638
134 H TYR 23 H TYR 23 -4.616 -1.811 -0.190
135 HA TYR 23 HA TYR 23 -6.169 -3.958 -1.475
136 HB2 TYR 23 1HB TYR 23 -7.165 -2.017 0.621
137 HB3 TYR 23 2HB TYR 23 -8.136 -3.238 -0.193
138 HD1 TYR 23 HD1 TYR 23 -6.303 -5.558 -0.138
139 HD2 TYR 23 HD2 TYR 23 -7.183 -2.671 2.861
140 HE1 TYR 23 HE1 TYR 23 -5.711 -7.193 1.601
141 HE2 TYR 23 HE2 TYR 23 -6.592 -4.299 4.608
142 HH TYR 23 HH TYR 23 -6.515 -7.370 4.309
143 H THR 24 H THR 24 -5.483 -0.553 -1.188
144 HA THR 24 HA THR 24 -7.161 -0.049 -3.559
145 HB THR 24 HB THR 24 -7.325 2.306 -2.814
146 HG1 THR 24 HG1 THR 24 -5.810 2.807 -1.401
147 HG21 THR 24 3HG2 THR 24 -8.252 0.551 -0.561
148 HG22 THR 24 1HG2 THR 24 -8.975 0.442 -2.165
149 HG23 THR 24 2HG2 THR 24 -9.048 1.957 -1.266
150 H ASN 25 H ASN 25 -6.221 0.843 -5.310
151 HA ASN 25 HA ASN 25 -3.541 0.726 -5.806
152 HB2 ASN 25 1HB ASN 25 -5.466 1.177 -7.440
153 HB3 ASN 25 2HB ASN 25 -5.258 2.878 -7.033
154 HD21 ASN 25 1HD2 ASN 25 -4.113 3.923 -8.472
155 HD22 ASN 25 2HD2 ASN 25 -2.779 3.295 -9.374
156 H SER 26 H SER 26 -5.331 3.646 -4.828
157 HA SER 26 HA SER 26 -3.355 5.512 -4.787
158 HB2 SER 26 1HB SER 26 -5.627 5.066 -2.855
159 HB3 SER 26 2HB SER 26 -4.556 6.461 -2.726
160 HG SER 26 HG SER 26 -5.522 6.029 -5.257
161 H GLN 27 H GLN 27 -4.076 3.236 -2.147
162 HA GLN 27 HA GLN 27 -2.022 4.064 -0.427
163 HB2 GLN 27 1HB GLN 27 -3.684 1.602 -0.696
164 HB3 GLN 27 2HB GLN 27 -2.270 1.541 0.347
165 HG2 GLN 27 1HG GLN 27 -3.125 3.399 1.652
166 HG3 GLN 27 2HG GLN 27 -4.521 3.524 0.584
167 HE21 GLN 27 1HE2 GLN 27 -2.830 0.964 2.377
168 HE22 GLN 27 2HE2 GLN 27 -4.255 0.266 3.058
169 H CYS 28 H CYS 28 -2.101 1.438 -2.821
170 HA CYS 28 HA CYS 28 0.438 0.405 -2.395
171 HB2 CYS 28 1HB CYS 28 -1.062 -0.783 -3.818
172 HB3 CYS 28 2HB CYS 28 -1.227 0.591 -4.905
173 HG CYS 28 HG CYS 28 0.225 -1.162 -6.369
174 H TYR 29 H TYR 29 -0.572 3.118 -4.426
175 HA TYR 29 HA TYR 29 1.999 3.596 -5.540
176 HB2 TYR 29 1HB TYR 29 -0.206 4.371 -6.500
177 HB3 TYR 29 2HB TYR 29 -0.241 5.602 -5.242
178 HD1 TYR 29 HD2 TYR 29 2.160 6.907 -5.091
179 HD2 TYR 29 HD1 TYR 29 0.491 5.102 -8.564
180 HE1 TYR 29 HE2 TYR 29 3.508 8.399 -6.508
181 HE2 TYR 29 HE1 TYR 29 1.835 6.588 -9.990
182 HH TYR 29 HH TYR 29 3.372 9.327 -8.857
183 H SER 30 H SER 30 0.177 5.138 -2.905
184 HA SER 30 HA SER 30 1.836 7.165 -2.178
185 HB2 SER 30 1HB SER 30 -0.360 6.335 -1.077
186 HB3 SER 30 2HB SER 30 0.699 5.363 -0.054
187 HG SER 30 HG SER 30 0.161 7.477 0.797
188 H HIS 31 H HIS 31 2.305 3.736 -1.571
189 HA HIS 31 HA HIS 31 4.692 4.198 0.008
190 HB2 HIS 31 1HB HIS 31 3.641 2.320 0.823
191 HB3 HIS 31 2HB HIS 31 3.071 1.818 -0.766
192 HD1 HIS 31 HD1 HIS 31 5.819 1.343 1.645
193 HD2 HIS 31 HD2 HIS 31 5.030 0.428 -2.330
194 HE1 HIS 31 HE1 HIS 31 7.538 -0.374 0.997
195 H GLN 32 H GLN 32 3.870 2.814 -3.157
196 HA GLN 32 HA GLN 32 6.275 1.940 -4.062
197 HB2 GLN 32 1HB GLN 32 3.956 3.243 -5.389
198 HB3 GLN 32 2HB GLN 32 5.435 3.087 -6.327
199 HG2 GLN 32 1HG GLN 32 5.313 0.601 -5.468
200 HG3 GLN 32 2HG GLN 32 3.601 0.988 -5.308
201 HE21 GLN 32 1HE2 GLN 32 2.952 -0.382 -6.932
202 HE22 GLN 32 2HE2 GLN 32 3.288 -0.087 -8.601
203 H ARG 33 H ARG 33 5.191 5.306 -3.939
204 HA ARG 33 HA ARG 33 7.408 6.439 -5.249
205 HB2 ARG 33 1HB ARG 33 6.598 8.522 -4.541
206 HB3 ARG 33 2HB ARG 33 5.157 7.521 -4.664
207 HG2 ARG 33 1HG ARG 33 5.639 7.081 -2.120
208 HG3 ARG 33 2HG ARG 33 6.513 8.608 -2.254
209 HD2 ARG 33 1HD ARG 33 3.775 8.457 -3.399
210 HD3 ARG 33 2HD ARG 33 3.936 8.512 -1.644
211 HE ARG 33 HE ARG 33 5.504 10.534 -2.866
212 HH11 ARG 33 1HH1 ARG 33 2.222 9.698 -2.060
213 HH12 ARG 33 2HH1 ARG 33 1.692 11.344 -1.949
214 HH21 ARG 33 1HH2 ARG 33 4.819 12.705 -2.724
215 HH22 ARG 33 2HH2 ARG 33 3.170 13.053 -2.328
216 H SER 34 H SER 34 6.854 5.519 -1.909
217 HA SER 34 HA SER 34 8.848 6.851 -0.580
218 HB2 SER 34 1HB SER 34 8.682 5.230 1.106
219 HB3 SER 34 2HB SER 34 7.119 5.127 0.295
220 HG SER 34 HG SER 34 8.299 3.087 0.726
221 H HIS 35 H HIS 35 9.141 3.920 -2.536
222 HA HIS 35 HA HIS 35 11.798 3.289 -1.981
223 HB2 HIS 35 1HB HIS 35 10.054 2.837 -4.390
224 HB3 HIS 35 2HB HIS 35 11.735 2.310 -4.375
225 HD1 HIS 35 HD1 HIS 35 12.319 0.667 -2.238
226 HD2 HIS 35 HD2 HIS 35 8.338 1.006 -3.377
227 HE1 HIS 35 HE1 HIS 35 11.162 -1.329 -1.239
228 H SER 36 H SER 36 13.675 4.225 -2.453
229 HA SER 36 HA SER 36 13.691 6.660 -4.016
230 HB2 SER 36 1HB SER 36 15.993 6.907 -3.245
231 HB3 SER 36 2HB SER 36 14.947 6.499 -1.885
232 HG SER 36 HG SER 36 17.114 5.243 -2.647
233 H GLY 37 H GLY 37 13.033 4.611 -5.676
234 HA2 GLY 37 1HA GLY 37 15.474 3.780 -7.061
235 HA3 GLY 37 2HA GLY 37 13.849 3.194 -7.383
236 H GLU 38 H GLU 38 12.339 5.176 -8.046
237 HA GLU 38 HA GLU 38 13.252 5.997 -10.584
238 HB2 GLU 38 1HB GLU 38 10.830 5.701 -9.679
239 HB3 GLU 38 2HB GLU 38 11.000 7.369 -9.153
240 HG2 GLU 38 1HG GLU 38 11.560 6.582 -11.984
241 HG3 GLU 38 2HG GLU 38 9.916 6.894 -11.429
242 H LYS 39 H LYS 39 14.668 7.533 -11.040
243 HA LYS 39 HA LYS 39 14.926 9.814 -9.195
244 HB2 LYS 39 1HB LYS 39 16.957 8.659 -11.115
245 HB3 LYS 39 2HB LYS 39 17.215 10.070 -10.096
246 HG2 LYS 39 1HG LYS 39 16.484 7.410 -8.925
247 HG3 LYS 39 2HG LYS 39 18.155 7.827 -9.312
248 HD2 LYS 39 1HD LYS 39 16.508 9.716 -7.688
249 HD3 LYS 39 2HD LYS 39 17.195 8.283 -6.919
250 HE2 LYS 39 1HE LYS 39 19.390 8.966 -7.345
251 HE3 LYS 39 2HE LYS 39 18.887 10.125 -8.575
252 HZ1 LYS 39 3HZ LYS 39 19.442 10.700 -5.976
253 HZ2 LYS 39 1HZ LYS 39 17.751 10.675 -6.004
254 HZ3 LYS 39 2HZ LYS 39 18.599 11.699 -7.049
255 HA PRO 40 HA PRO 40 13.526 12.543 -12.345
256 HB2 PRO 40 1HB PRO 40 14.794 14.820 -11.585
257 HB3 PRO 40 2HB PRO 40 13.413 14.150 -10.707
258 HG2 PRO 40 1HG PRO 40 16.336 13.923 -10.100
259 HG3 PRO 40 2HG PRO 40 14.984 14.229 -8.994
260 HD2 PRO 40 1HD PRO 40 16.120 11.786 -9.264
261 HD3 PRO 40 2HD PRO 40 14.398 12.002 -8.893
262 H SER 41 H SER 41 14.555 11.597 -14.162
263 HA SER 41 HA SER 41 17.207 11.764 -14.891
264 HB2 SER 41 1HB SER 41 16.523 11.277 -17.117
265 HB3 SER 41 2HB SER 41 15.327 10.512 -16.071
266 HG SER 41 HG SER 41 14.299 12.796 -16.425
267 H GLY 42 H GLY 42 18.317 13.136 -16.421
268 HA2 GLY 42 1HA GLY 42 17.827 15.351 -17.701
269 HA3 GLY 42 2HA GLY 42 17.536 15.945 -16.073
270 HA PRO 43 HA PRO 43 21.789 16.814 -15.506
271 HB2 PRO 43 1HB PRO 43 22.251 16.036 -12.946
272 HB3 PRO 43 2HB PRO 43 21.294 17.464 -13.359
273 HG2 PRO 43 1HG PRO 43 20.370 14.719 -12.601
274 HG3 PRO 43 2HG PRO 43 19.745 16.294 -12.078
275 HD2 PRO 43 1HD PRO 43 18.543 14.815 -14.002
276 HD3 PRO 43 2HD PRO 43 18.521 16.590 -14.009
277 H SER 44 H SER 44 23.934 15.894 -14.917
278 HA SER 44 HA SER 44 24.464 13.530 -16.257
279 HB2 SER 44 1HB SER 44 26.105 15.359 -15.550
280 HB3 SER 44 2HB SER 44 26.173 14.548 -13.985
281 HG SER 44 HG SER 44 26.692 12.605 -15.311
282 H SER 45 H SER 45 25.176 11.456 -15.497
283 HA SER 45 HA SER 45 23.431 10.196 -13.757
284 HB2 SER 45 1HB SER 45 24.815 9.007 -15.422
285 HB3 SER 45 2HB SER 45 26.250 9.331 -14.450
286 HG SER 45 HG SER 45 25.008 7.219 -14.219
287 H GLY 46 H GLY 46 26.829 11.079 -13.108
288 HA2 GLY 46 1HA GLY 46 27.159 10.287 -10.546
289 HA3 GLY 46 2HA GLY 46 27.790 11.818 -11.136
Start of MODEL 17
1 H1 GLY 1 H GLY 1 7.385 -17.043 -5.523
2 HA2 GLY 1 1HA GLY 1 9.947 -16.702 -5.302
3 HA3 GLY 1 2HA GLY 1 9.452 -15.192 -4.551
4 H SER 2 H SER 2 11.009 -17.014 -3.190
5 HA SER 2 HA SER 2 9.765 -18.933 -1.650
6 HB2 SER 2 1HB SER 2 11.529 -18.421 0.075
7 HB3 SER 2 2HB SER 2 12.154 -18.684 -1.553
8 HG SER 2 HG SER 2 12.755 -16.654 -1.664
9 H SER 3 H SER 3 9.284 -18.800 0.728
10 HA SER 3 HA SER 3 7.751 -16.348 1.303
11 HB2 SER 3 1HB SER 3 7.140 -19.228 1.981
12 HB3 SER 3 2HB SER 3 6.294 -17.867 2.718
13 HG SER 3 HG SER 3 6.416 -18.479 -0.053
14 H GLY 4 H GLY 4 8.893 -15.187 2.722
15 HA2 GLY 4 1HA GLY 4 9.993 -16.606 5.070
16 HA3 GLY 4 2HA GLY 4 10.837 -15.271 4.298
17 H SER 5 H SER 5 7.503 -15.845 5.434
18 HA SER 5 HA SER 5 7.723 -13.776 7.418
19 HB2 SER 5 1HB SER 5 5.814 -13.317 5.115
20 HB3 SER 5 2HB SER 5 6.076 -12.260 6.502
21 HG SER 5 HG SER 5 7.960 -12.898 4.476
22 H SER 6 H SER 6 5.601 -13.444 8.555
23 HA SER 6 HA SER 6 4.475 -15.983 9.181
24 HB2 SER 6 1HB SER 6 3.228 -14.843 10.864
25 HB3 SER 6 2HB SER 6 4.794 -14.036 10.783
26 HG SER 6 HG SER 6 2.277 -13.102 10.118
27 H GLY 7 H GLY 7 3.286 -13.116 7.470
28 HA2 GLY 7 1HA GLY 7 0.877 -14.636 6.713
29 HA3 GLY 7 2HA GLY 7 1.013 -12.884 6.695
30 H SER 8 H SER 8 2.172 -11.869 5.004
31 HA SER 8 HA SER 8 2.734 -11.552 2.822
32 HB2 SER 8 1HB SER 8 4.668 -12.950 3.457
33 HB3 SER 8 2HB SER 8 3.756 -14.396 3.027
34 HG SER 8 HG SER 8 5.116 -13.727 1.323
35 H GLY 9 H GLY 9 0.093 -12.191 3.222
36 HA2 GLY 9 1HA GLY 9 -0.695 -14.294 1.397
37 HA3 GLY 9 2HA GLY 9 -1.768 -13.219 2.279
38 H GLU 10 H GLU 10 -1.247 -14.111 -0.682
39 HA GLU 10 HA GLU 10 -0.546 -11.998 -2.278
40 HB2 GLU 10 1HB GLU 10 -1.173 -14.275 -3.071
41 HB3 GLU 10 2HB GLU 10 -2.862 -13.869 -2.802
42 HG2 GLU 10 1HG GLU 10 -2.609 -13.502 -5.061
43 HG3 GLU 10 2HG GLU 10 -2.402 -11.887 -4.386
44 H LYS 11 H LYS 11 -1.607 -10.253 -3.222
45 HA LYS 11 HA LYS 11 -4.252 -9.554 -2.173
46 HB2 LYS 11 1HB LYS 11 -1.716 -8.016 -1.823
47 HB3 LYS 11 2HB LYS 11 -3.211 -7.122 -2.065
48 HG2 LYS 11 1HG LYS 11 -4.124 -7.847 -0.072
49 HG3 LYS 11 2HG LYS 11 -3.072 -9.262 0.014
50 HD2 LYS 11 1HD LYS 11 -1.150 -7.782 0.432
51 HD3 LYS 11 2HD LYS 11 -2.232 -6.387 0.393
52 HE2 LYS 11 1HE LYS 11 -3.524 -7.540 2.258
53 HE3 LYS 11 2HE LYS 11 -2.144 -8.629 2.396
54 HZ1 LYS 11 3HZ LYS 11 -2.385 -6.307 3.716
55 HZ2 LYS 11 1HZ LYS 11 -1.464 -5.822 2.382
56 HZ3 LYS 11 2HZ LYS 11 -0.910 -7.065 3.385
57 HA PRO 12 HA PRO 12 -5.135 -8.193 -6.250
58 HB2 PRO 12 1HB PRO 12 -6.790 -6.090 -5.794
59 HB3 PRO 12 2HB PRO 12 -7.276 -7.770 -5.533
60 HG2 PRO 12 1HG PRO 12 -6.348 -5.735 -3.543
61 HG3 PRO 12 2HG PRO 12 -7.682 -6.897 -3.416
62 HD2 PRO 12 1HD PRO 12 -5.273 -7.312 -2.250
63 HD3 PRO 12 2HD PRO 12 -6.278 -8.640 -2.864
64 H PHE 13 H PHE 13 -3.686 -5.997 -3.998
65 HA PHE 13 HA PHE 13 -2.395 -4.595 -6.202
66 HB2 PHE 13 1HB PHE 13 -3.937 -3.181 -4.018
67 HB3 PHE 13 2HB PHE 13 -2.839 -2.381 -5.138
68 HD1 PHE 13 HD2 PHE 13 -5.918 -4.453 -5.017
69 HD2 PHE 13 HD1 PHE 13 -3.607 -1.615 -7.190
70 HE1 PHE 13 HE2 PHE 13 -7.760 -4.191 -6.627
71 HE2 PHE 13 HE1 PHE 13 -5.446 -1.347 -8.803
72 HZ PHE 13 HZ PHE 13 -7.525 -2.637 -8.524
73 H LYS 14 H LYS 14 -0.327 -5.012 -5.779
74 HA LYS 14 HA LYS 14 0.681 -4.410 -3.082
75 HB2 LYS 14 1HB LYS 14 2.360 -6.315 -3.534
76 HB3 LYS 14 2HB LYS 14 0.727 -6.746 -3.043
77 HG2 LYS 14 1HG LYS 14 0.161 -7.533 -5.135
78 HG3 LYS 14 2HG LYS 14 1.409 -6.582 -5.945
79 HD2 LYS 14 1HD LYS 14 3.125 -8.022 -4.872
80 HD3 LYS 14 2HD LYS 14 1.826 -9.016 -4.209
81 HE2 LYS 14 1HE LYS 14 1.050 -9.488 -6.495
82 HE3 LYS 14 2HE LYS 14 2.384 -8.529 -7.134
83 HZ1 LYS 14 3HZ LYS 14 3.867 -10.115 -5.849
84 HZ2 LYS 14 1HZ LYS 14 3.113 -10.728 -7.234
85 HZ3 LYS 14 2HZ LYS 14 2.508 -11.112 -5.703
86 H CYS 15 H CYS 15 3.038 -3.998 -3.044
87 HA CYS 15 HA CYS 15 3.751 -2.129 -5.060
88 HB2 CYS 15 1HB CYS 15 4.460 -1.977 -2.670
89 HB3 CYS 15 2HB CYS 15 5.531 -3.349 -2.940
90 H GLU 16 H GLU 16 5.444 -2.210 -6.569
91 HA GLU 16 HA GLU 16 5.953 -4.887 -7.599
92 HB2 GLU 16 1HB GLU 16 6.286 -3.927 -9.651
93 HB3 GLU 16 2HB GLU 16 5.240 -2.713 -8.930
94 HG2 GLU 16 1HG GLU 16 7.129 -1.323 -8.402
95 HG3 GLU 16 2HG GLU 16 8.244 -2.568 -8.963
96 H GLU 17 H GLU 17 7.562 -2.374 -5.889
97 HA GLU 17 HA GLU 17 10.233 -3.102 -6.600
98 HB2 GLU 17 1HB GLU 17 9.045 -1.388 -4.432
99 HB3 GLU 17 2HB GLU 17 10.768 -1.730 -4.486
100 HG2 GLU 17 1HG GLU 17 9.147 -0.353 -6.613
101 HG3 GLU 17 2HG GLU 17 10.309 0.396 -5.520
102 H CYS 18 H CYS 18 8.507 -3.379 -3.487
103 HA CYS 18 HA CYS 18 10.258 -5.627 -2.793
104 HB2 CYS 18 1HB CYS 18 9.294 -5.265 -0.474
105 HB3 CYS 18 2HB CYS 18 10.290 -3.956 -1.103
106 H GLY 19 H GLY 19 6.820 -4.697 -2.611
107 HA2 GLY 19 1HA GLY 19 5.311 -6.415 -3.675
108 HA3 GLY 19 2HA GLY 19 6.155 -7.575 -2.660
109 H LYS 20 H LYS 20 5.542 -4.456 -1.339
110 HA LYS 20 HA LYS 20 4.280 -5.288 0.939
111 HB2 LYS 20 1HB LYS 20 5.071 -2.901 0.085
112 HB3 LYS 20 2HB LYS 20 3.356 -2.718 -0.261
113 HG2 LYS 20 1HG LYS 20 3.393 -1.893 1.850
114 HG3 LYS 20 2HG LYS 20 3.135 -3.599 2.225
115 HD2 LYS 20 1HD LYS 20 5.938 -2.654 1.965
116 HD3 LYS 20 2HD LYS 20 5.037 -2.155 3.398
117 HE2 LYS 20 1HE LYS 20 5.547 -4.973 2.456
118 HE3 LYS 20 2HE LYS 20 6.223 -4.192 3.884
119 HZ1 LYS 20 3HZ LYS 20 4.509 -5.047 4.980
120 HZ2 LYS 20 1HZ LYS 20 3.711 -5.503 3.560
121 HZ3 LYS 20 2HZ LYS 20 3.516 -3.940 4.174
122 H GLY 21 H GLY 21 2.028 -5.030 1.657
123 HA2 GLY 21 1HA GLY 21 0.190 -5.955 -0.450
124 HA3 GLY 21 2HA GLY 21 0.013 -6.281 1.268
125 H PHE 22 H PHE 22 -1.701 -4.950 -0.889
126 HA PHE 22 HA PHE 22 -2.669 -2.829 0.840
127 HB2 PHE 22 1HB PHE 22 -1.933 -2.277 -2.042
128 HB3 PHE 22 2HB PHE 22 -2.713 -1.147 -0.941
129 HD1 PHE 22 HD1 PHE 22 -1.392 -0.706 1.295
130 HD2 PHE 22 HD2 PHE 22 0.343 -2.155 -2.312
131 HE1 PHE 22 HE1 PHE 22 0.813 0.094 2.038
132 HE2 PHE 22 HE2 PHE 22 2.551 -1.358 -1.574
133 HZ PHE 22 HZ PHE 22 2.788 -0.233 0.604
134 H TYR 23 H TYR 23 -4.707 -1.813 -0.234
135 HA TYR 23 HA TYR 23 -6.230 -3.968 -1.547
136 HB2 TYR 23 1HB TYR 23 -7.251 -1.990 0.502
137 HB3 TYR 23 2HB TYR 23 -8.212 -3.226 -0.302
138 HD1 TYR 23 HD1 TYR 23 -6.596 -5.606 -0.169
139 HD2 TYR 23 HD2 TYR 23 -7.077 -2.538 2.740
140 HE1 TYR 23 HE1 TYR 23 -6.024 -7.208 1.606
141 HE2 TYR 23 HE2 TYR 23 -6.505 -4.132 4.523
142 HH TYR 23 HH TYR 23 -5.522 -6.189 4.909
143 H THR 24 H THR 24 -5.514 -0.570 -1.341
144 HA THR 24 HA THR 24 -7.171 -0.108 -3.736
145 HB THR 24 HB THR 24 -7.343 2.265 -3.034
146 HG1 THR 24 HG1 THR 24 -6.737 2.760 -0.863
147 HG21 THR 24 3HG2 THR 24 -8.921 1.884 -1.148
148 HG22 THR 24 1HG2 THR 24 -8.358 0.216 -1.061
149 HG23 THR 24 2HG2 THR 24 -9.182 0.795 -2.509
150 H ASN 25 H ASN 25 -6.309 1.153 -5.389
151 HA ASN 25 HA ASN 25 -3.560 0.924 -5.856
152 HB2 ASN 25 1HB ASN 25 -5.559 1.347 -7.496
153 HB3 ASN 25 2HB ASN 25 -5.188 3.045 -7.213
154 HD21 ASN 25 1HD2 ASN 25 -4.381 0.244 -8.918
155 HD22 ASN 25 2HD2 ASN 25 -2.959 0.836 -9.702
156 H SER 26 H SER 26 -5.489 3.722 -4.828
157 HA SER 26 HA SER 26 -3.590 5.699 -4.841
158 HB2 SER 26 1HB SER 26 -4.873 6.786 -3.055
159 HB3 SER 26 2HB SER 26 -5.956 6.069 -4.249
160 HG SER 26 HG SER 26 -5.258 5.006 -1.712
161 H GLN 27 H GLN 27 -4.107 3.221 -2.372
162 HA GLN 27 HA GLN 27 -2.136 4.215 -0.578
163 HB2 GLN 27 1HB GLN 27 -3.716 1.694 -0.825
164 HB3 GLN 27 2HB GLN 27 -2.308 1.701 0.228
165 HG2 GLN 27 1HG GLN 27 -4.278 3.901 0.515
166 HG3 GLN 27 2HG GLN 27 -4.717 2.301 1.111
167 HE21 GLN 27 1HE2 GLN 27 -2.692 5.064 1.540
168 HE22 GLN 27 2HE2 GLN 27 -2.023 4.603 3.064
169 H CYS 28 H CYS 28 -2.141 1.390 -2.757
170 HA CYS 28 HA CYS 28 0.375 0.438 -2.403
171 HB2 CYS 28 1HB CYS 28 -1.016 -0.714 -3.926
172 HB3 CYS 28 2HB CYS 28 -1.248 0.716 -4.924
173 HG CYS 28 HG CYS 28 0.728 -1.683 -5.528
174 H TYR 29 H TYR 29 -0.542 3.313 -4.212
175 HA TYR 29 HA TYR 29 2.062 3.797 -5.279
176 HB2 TYR 29 1HB TYR 29 -0.169 4.664 -6.182
177 HB3 TYR 29 2HB TYR 29 -0.093 5.872 -4.905
178 HD1 TYR 29 HD2 TYR 29 2.489 6.913 -4.809
179 HD2 TYR 29 HD1 TYR 29 0.418 5.493 -8.243
180 HE1 TYR 29 HE2 TYR 29 3.892 8.341 -6.238
181 HE2 TYR 29 HE1 TYR 29 1.815 6.917 -9.682
182 HH TYR 29 HH TYR 29 4.510 8.029 -9.109
183 H SER 30 H SER 30 0.198 5.212 -2.602
184 HA SER 30 HA SER 30 1.840 7.170 -1.704
185 HB2 SER 30 1HB SER 30 0.833 6.965 0.406
186 HB3 SER 30 2HB SER 30 -0.357 6.251 -0.683
187 HG SER 30 HG SER 30 -0.072 4.873 1.050
188 H HIS 31 H HIS 31 2.323 3.707 -1.312
189 HA HIS 31 HA HIS 31 4.723 4.101 0.274
190 HB2 HIS 31 1HB HIS 31 3.672 2.203 1.038
191 HB3 HIS 31 2HB HIS 31 3.079 1.757 -0.559
192 HD1 HIS 31 HD1 HIS 31 5.841 1.171 1.805
193 HD2 HIS 31 HD2 HIS 31 5.024 0.426 -2.199
194 HE1 HIS 31 HE1 HIS 31 7.545 -0.528 1.077
195 H GLN 32 H GLN 32 3.895 2.647 -2.871
196 HA GLN 32 HA GLN 32 6.300 1.878 -3.822
197 HB2 GLN 32 1HB GLN 32 3.922 3.105 -5.115
198 HB3 GLN 32 2HB GLN 32 5.391 3.000 -6.076
199 HG2 GLN 32 1HG GLN 32 5.473 0.602 -5.739
200 HG3 GLN 32 2HG GLN 32 4.046 0.682 -4.707
201 HE21 GLN 32 1HE2 GLN 32 4.030 -0.981 -6.832
202 HE22 GLN 32 2HE2 GLN 32 2.974 -0.383 -8.061
203 H ARG 33 H ARG 33 5.070 5.215 -3.966
204 HA ARG 33 HA ARG 33 7.117 6.471 -5.267
205 HB2 ARG 33 1HB ARG 33 6.384 8.482 -4.320
206 HB3 ARG 33 2HB ARG 33 4.958 7.453 -4.270
207 HG2 ARG 33 1HG ARG 33 5.543 6.913 -1.895
208 HG3 ARG 33 2HG ARG 33 6.792 8.156 -1.994
209 HD2 ARG 33 1HD ARG 33 5.010 9.781 -2.649
210 HD3 ARG 33 2HD ARG 33 3.819 8.523 -2.321
211 HE ARG 33 HE ARG 33 5.582 9.017 -0.113
212 HH11 ARG 33 1HH1 ARG 33 2.669 10.045 -1.718
213 HH12 ARG 33 2HH1 ARG 33 1.981 10.756 -0.296
214 HH21 ARG 33 1HH2 ARG 33 4.687 9.950 1.766
215 HH22 ARG 33 2HH2 ARG 33 3.130 10.702 1.685
216 H SER 34 H SER 34 6.984 5.667 -1.813
217 HA SER 34 HA SER 34 9.194 6.854 -0.808
218 HB2 SER 34 1HB SER 34 7.798 5.431 0.570
219 HB3 SER 34 2HB SER 34 8.306 4.000 -0.327
220 HG SER 34 HG SER 34 10.224 4.044 0.646
221 H HIS 35 H HIS 35 9.235 3.697 -2.463
222 HA HIS 35 HA HIS 35 11.908 3.133 -2.400
223 HB2 HIS 35 1HB HIS 35 9.841 2.637 -4.530
224 HB3 HIS 35 2HB HIS 35 11.500 2.078 -4.722
225 HD1 HIS 35 HD1 HIS 35 12.342 0.334 -2.873
226 HD2 HIS 35 HD2 HIS 35 8.248 1.034 -2.989
227 HE1 HIS 35 HE1 HIS 35 11.299 -1.567 -1.599
228 H SER 36 H SER 36 13.731 3.792 -3.418
229 HA SER 36 HA SER 36 13.534 5.706 -5.616
230 HB2 SER 36 1HB SER 36 14.883 6.247 -2.971
231 HB3 SER 36 2HB SER 36 15.307 7.126 -4.440
232 HG SER 36 HG SER 36 12.699 7.191 -4.306
233 H GLY 37 H GLY 37 15.349 5.780 -6.955
234 HA2 GLY 37 1HA GLY 37 17.337 5.077 -7.886
235 HA3 GLY 37 2HA GLY 37 17.778 4.412 -6.320
236 H GLU 38 H GLU 38 18.254 2.333 -6.507
237 HA GLU 38 HA GLU 38 16.585 0.676 -8.284
238 HB2 GLU 38 1HB GLU 38 18.494 -0.757 -8.653
239 HB3 GLU 38 2HB GLU 38 18.940 0.902 -9.025
240 HG2 GLU 38 1HG GLU 38 19.771 0.901 -6.538
241 HG3 GLU 38 2HG GLU 38 19.822 -0.843 -6.787
242 H LYS 39 H LYS 39 15.894 -1.327 -7.557
243 HA LYS 39 HA LYS 39 15.100 -1.627 -4.965
244 HB2 LYS 39 1HB LYS 39 14.689 -3.948 -5.438
245 HB3 LYS 39 2HB LYS 39 14.357 -3.022 -6.896
246 HG2 LYS 39 1HG LYS 39 16.697 -3.627 -7.648
247 HG3 LYS 39 2HG LYS 39 16.720 -4.779 -6.311
248 HD2 LYS 39 1HD LYS 39 15.991 -6.081 -8.085
249 HD3 LYS 39 2HD LYS 39 14.476 -5.607 -7.313
250 HE2 LYS 39 1HE LYS 39 14.193 -5.318 -9.657
251 HE3 LYS 39 2HE LYS 39 14.347 -3.711 -8.949
252 HZ1 LYS 39 3HZ LYS 39 15.652 -4.144 -11.043
253 HZ2 LYS 39 1HZ LYS 39 16.652 -5.152 -10.122
254 HZ3 LYS 39 2HZ LYS 39 16.531 -3.507 -9.745
255 HA PRO 40 HA PRO 40 18.611 -2.616 -2.514
256 HB2 PRO 40 1HB PRO 40 17.440 -4.116 -0.577
257 HB3 PRO 40 2HB PRO 40 17.238 -2.364 -0.688
258 HG2 PRO 40 1HG PRO 40 15.401 -4.543 -1.603
259 HG3 PRO 40 2HG PRO 40 15.012 -3.033 -0.759
260 HD2 PRO 40 1HD PRO 40 14.681 -3.336 -3.429
261 HD3 PRO 40 2HD PRO 40 15.112 -1.780 -2.691
262 H SER 41 H SER 41 19.801 -4.484 -1.559
263 HA SER 41 HA SER 41 19.838 -6.670 -3.463
264 HB2 SER 41 1HB SER 41 21.970 -7.210 -2.599
265 HB3 SER 41 2HB SER 41 21.905 -5.449 -2.546
266 HG SER 41 HG SER 41 21.236 -5.703 -0.310
267 H GLY 42 H GLY 42 17.510 -6.856 -2.142
268 HA2 GLY 42 1HA GLY 42 16.490 -8.904 -1.393
269 HA3 GLY 42 2HA GLY 42 17.939 -9.230 -0.452
270 HA PRO 43 HA PRO 43 14.687 -6.388 1.799
271 HB2 PRO 43 1HB PRO 43 12.476 -7.923 2.155
272 HB3 PRO 43 2HB PRO 43 12.671 -6.822 0.786
273 HG2 PRO 43 1HG PRO 43 13.096 -9.782 0.911
274 HG3 PRO 43 2HG PRO 43 12.303 -8.818 -0.348
275 HD2 PRO 43 1HD PRO 43 14.845 -9.717 -0.587
276 HD3 PRO 43 2HD PRO 43 14.304 -8.184 -1.299
277 H SER 44 H SER 44 15.160 -9.874 2.036
278 HA SER 44 HA SER 44 15.856 -9.563 4.850
279 HB2 SER 44 1HB SER 44 14.469 -11.596 5.426
280 HB3 SER 44 2HB SER 44 13.541 -10.144 5.053
281 HG SER 44 HG SER 44 12.572 -11.403 3.675
282 H SER 45 H SER 45 17.326 -11.066 5.596
283 HA SER 45 HA SER 45 18.604 -12.673 3.510
284 HB2 SER 45 1HB SER 45 19.530 -11.580 6.154
285 HB3 SER 45 2HB SER 45 20.415 -12.880 5.356
286 HG SER 45 HG SER 45 20.404 -10.239 4.809
287 H GLY 46 H GLY 46 17.727 -13.007 6.956
288 HA2 GLY 46 1HA GLY 46 16.791 -14.811 8.058
289 HA3 GLY 46 2HA GLY 46 16.644 -15.631 6.511
Start of MODEL 18
1 H1 GLY 1 H GLY 1 3.073 -23.720 -5.738
2 HA2 GLY 1 1HA GLY 1 4.345 -22.295 -4.293
3 HA3 GLY 1 2HA GLY 1 5.358 -23.672 -3.886
4 H SER 2 H SER 2 5.665 -20.843 -5.193
5 HA SER 2 HA SER 2 7.026 -21.579 -7.658
6 HB2 SER 2 1HB SER 2 7.402 -19.094 -7.845
7 HB3 SER 2 2HB SER 2 5.707 -19.575 -7.781
8 HG SER 2 HG SER 2 5.627 -18.178 -6.209
9 H SER 3 H SER 3 9.187 -20.320 -8.000
10 HA SER 3 HA SER 3 11.043 -21.387 -6.112
11 HB2 SER 3 1HB SER 3 11.600 -21.308 -8.486
12 HB3 SER 3 2HB SER 3 11.477 -19.549 -8.479
13 HG SER 3 HG SER 3 13.476 -21.204 -7.462
14 H GLY 4 H GLY 4 11.176 -20.468 -4.154
15 HA2 GLY 4 1HA GLY 4 12.385 -18.673 -2.989
16 HA3 GLY 4 2HA GLY 4 11.577 -17.542 -4.064
17 H SER 5 H SER 5 9.366 -17.077 -3.745
18 HA SER 5 HA SER 5 8.580 -17.115 -0.995
19 HB2 SER 5 1HB SER 5 6.666 -15.815 -1.711
20 HB3 SER 5 2HB SER 5 8.096 -15.222 -2.555
21 HG SER 5 HG SER 5 6.028 -16.871 -3.562
22 H SER 6 H SER 6 7.126 -18.374 0.029
23 HA SER 6 HA SER 6 6.554 -20.924 -0.731
24 HB2 SER 6 1HB SER 6 6.125 -19.754 1.527
25 HB3 SER 6 2HB SER 6 4.547 -19.337 0.860
26 HG SER 6 HG SER 6 4.590 -21.329 2.069
27 H GLY 7 H GLY 7 4.313 -18.167 -1.075
28 HA2 GLY 7 1HA GLY 7 3.176 -17.895 -3.231
29 HA3 GLY 7 2HA GLY 7 3.030 -19.646 -3.288
30 H SER 8 H SER 8 2.085 -16.856 -1.293
31 HA SER 8 HA SER 8 -0.654 -17.518 -1.320
32 HB2 SER 8 1HB SER 8 -1.041 -18.448 0.806
33 HB3 SER 8 2HB SER 8 0.367 -19.328 0.212
34 HG SER 8 HG SER 8 1.397 -18.615 1.884
35 H GLY 9 H GLY 9 -1.816 -16.275 0.575
36 HA2 GLY 9 1HA GLY 9 -2.281 -14.232 1.511
37 HA3 GLY 9 2HA GLY 9 -0.558 -14.107 1.833
38 H GLU 10 H GLU 10 -2.191 -14.309 -1.302
39 HA GLU 10 HA GLU 10 -0.695 -12.066 -2.283
40 HB2 GLU 10 1HB GLU 10 -1.371 -14.076 -3.651
41 HB3 GLU 10 2HB GLU 10 -3.015 -13.454 -3.626
42 HG2 GLU 10 1HG GLU 10 -2.478 -11.623 -4.950
43 HG3 GLU 10 2HG GLU 10 -0.754 -11.765 -4.614
44 H LYS 11 H LYS 11 -1.788 -10.240 -3.419
45 HA LYS 11 HA LYS 11 -4.334 -9.458 -2.196
46 HB2 LYS 11 1HB LYS 11 -1.709 -8.080 -1.913
47 HB3 LYS 11 2HB LYS 11 -3.138 -7.075 -2.114
48 HG2 LYS 11 1HG LYS 11 -4.118 -7.895 -0.136
49 HG3 LYS 11 2HG LYS 11 -2.964 -9.226 -0.026
50 HD2 LYS 11 1HD LYS 11 -1.159 -7.638 0.392
51 HD3 LYS 11 2HD LYS 11 -2.294 -6.294 0.244
52 HE2 LYS 11 1HE LYS 11 -3.474 -6.985 2.202
53 HE3 LYS 11 2HE LYS 11 -2.575 -8.500 2.277
54 HZ1 LYS 11 3HZ LYS 11 -1.842 -6.716 3.857
55 HZ2 LYS 11 1HZ LYS 11 -1.275 -5.848 2.520
56 HZ3 LYS 11 2HZ LYS 11 -0.617 -7.363 2.885
57 HA PRO 12 HA PRO 12 -5.393 -7.904 -6.160
58 HB2 PRO 12 1HB PRO 12 -6.860 -5.705 -5.544
59 HB3 PRO 12 2HB PRO 12 -7.446 -7.352 -5.287
60 HG2 PRO 12 1HG PRO 12 -6.242 -5.442 -3.322
61 HG3 PRO 12 2HG PRO 12 -7.644 -6.510 -3.128
62 HD2 PRO 12 1HD PRO 12 -5.198 -7.123 -2.141
63 HD3 PRO 12 2HD PRO 12 -6.334 -8.361 -2.714
64 H PHE 13 H PHE 13 -3.663 -5.857 -3.959
65 HA PHE 13 HA PHE 13 -2.358 -4.541 -6.196
66 HB2 PHE 13 1HB PHE 13 -3.767 -2.979 -4.021
67 HB3 PHE 13 2HB PHE 13 -2.682 -2.284 -5.221
68 HD1 PHE 13 HD2 PHE 13 -5.885 -4.098 -4.819
69 HD2 PHE 13 HD1 PHE 13 -3.467 -1.655 -7.329
70 HE1 PHE 13 HE2 PHE 13 -7.782 -3.810 -6.359
71 HE2 PHE 13 HE1 PHE 13 -5.360 -1.362 -8.873
72 HZ PHE 13 HZ PHE 13 -7.521 -2.441 -8.390
73 H LYS 14 H LYS 14 -0.284 -4.905 -5.809
74 HA LYS 14 HA LYS 14 0.748 -4.416 -3.099
75 HB2 LYS 14 1HB LYS 14 2.407 -6.315 -3.628
76 HB3 LYS 14 2HB LYS 14 0.772 -6.753 -3.150
77 HG2 LYS 14 1HG LYS 14 0.181 -7.399 -5.303
78 HG3 LYS 14 2HG LYS 14 1.511 -6.503 -6.040
79 HD2 LYS 14 1HD LYS 14 3.116 -8.071 -5.117
80 HD3 LYS 14 2HD LYS 14 1.824 -8.936 -4.281
81 HE2 LYS 14 1HE LYS 14 1.929 -8.597 -7.271
82 HE3 LYS 14 2HE LYS 14 2.627 -9.979 -6.429
83 HZ1 LYS 14 3HZ LYS 14 0.584 -10.819 -6.832
84 HZ2 LYS 14 1HZ LYS 14 -0.169 -9.305 -6.893
85 HZ3 LYS 14 2HZ LYS 14 0.197 -10.007 -5.399
86 H CYS 15 H CYS 15 3.118 -4.041 -3.069
87 HA CYS 15 HA CYS 15 3.828 -2.116 -5.047
88 HB2 CYS 15 1HB CYS 15 4.513 -1.979 -2.654
89 HB3 CYS 15 2HB CYS 15 5.582 -3.353 -2.917
90 H GLU 16 H GLU 16 5.552 -2.174 -6.529
91 HA GLU 16 HA GLU 16 6.071 -4.836 -7.592
92 HB2 GLU 16 1HB GLU 16 6.430 -3.847 -9.624
93 HB3 GLU 16 2HB GLU 16 5.382 -2.637 -8.898
94 HG2 GLU 16 1HG GLU 16 7.012 -1.270 -9.661
95 HG3 GLU 16 2HG GLU 16 7.705 -1.656 -8.087
96 H GLU 17 H GLU 17 7.668 -2.327 -5.849
97 HA GLU 17 HA GLU 17 10.344 -3.058 -6.523
98 HB2 GLU 17 1HB GLU 17 9.127 -1.372 -4.348
99 HB3 GLU 17 2HB GLU 17 10.851 -1.716 -4.382
100 HG2 GLU 17 1HG GLU 17 9.337 -0.428 -6.640
101 HG3 GLU 17 2HG GLU 17 10.220 0.457 -5.397
102 H CYS 18 H CYS 18 8.578 -3.375 -3.436
103 HA CYS 18 HA CYS 18 10.316 -5.639 -2.755
104 HB2 CYS 18 1HB CYS 18 9.327 -5.301 -0.440
105 HB3 CYS 18 2HB CYS 18 10.344 -3.995 -1.040
106 H GLY 19 H GLY 19 6.880 -4.695 -2.574
107 HA2 GLY 19 1HA GLY 19 5.363 -6.381 -3.673
108 HA3 GLY 19 2HA GLY 19 6.202 -7.568 -2.686
109 H LYS 20 H LYS 20 5.590 -4.471 -1.306
110 HA LYS 20 HA LYS 20 4.341 -5.336 0.963
111 HB2 LYS 20 1HB LYS 20 5.087 -2.923 0.088
112 HB3 LYS 20 2HB LYS 20 3.354 -2.769 -0.172
113 HG2 LYS 20 1HG LYS 20 3.464 -1.977 1.946
114 HG3 LYS 20 2HG LYS 20 3.283 -3.694 2.313
115 HD2 LYS 20 1HD LYS 20 5.930 -3.622 2.136
116 HD3 LYS 20 2HD LYS 20 5.663 -1.930 2.562
117 HE2 LYS 20 1HE LYS 20 5.918 -2.951 4.630
118 HE3 LYS 20 2HE LYS 20 4.167 -2.883 4.440
119 HZ1 LYS 20 3HZ LYS 20 5.362 -5.278 3.380
120 HZ2 LYS 20 1HZ LYS 20 4.017 -5.095 4.390
121 HZ3 LYS 20 2HZ LYS 20 5.574 -5.100 5.049
122 H GLY 21 H GLY 21 2.057 -4.972 1.676
123 HA2 GLY 21 1HA GLY 21 0.223 -5.907 -0.441
124 HA3 GLY 21 2HA GLY 21 0.070 -6.314 1.262
125 H PHE 22 H PHE 22 -1.630 -4.851 -0.863
126 HA PHE 22 HA PHE 22 -2.603 -2.826 0.991
127 HB2 PHE 22 1HB PHE 22 -2.060 -2.130 -1.899
128 HB3 PHE 22 2HB PHE 22 -2.631 -1.050 -0.631
129 HD1 PHE 22 HD1 PHE 22 -1.042 -0.779 1.417
130 HD2 PHE 22 HD2 PHE 22 0.185 -2.192 -2.406
131 HE1 PHE 22 HE1 PHE 22 1.282 -0.161 1.939
132 HE2 PHE 22 HE2 PHE 22 2.511 -1.578 -1.890
133 HZ PHE 22 HZ PHE 22 3.062 -0.562 0.284
134 H TYR 23 H TYR 23 -4.667 -1.781 -0.024
135 HA TYR 23 HA TYR 23 -6.214 -3.921 -1.334
136 HB2 TYR 23 1HB TYR 23 -7.174 -1.955 0.755
137 HB3 TYR 23 2HB TYR 23 -8.179 -3.148 -0.059
138 HD1 TYR 23 HD1 TYR 23 -6.540 -5.551 -0.013
139 HD2 TYR 23 HD2 TYR 23 -7.062 -2.578 2.986
140 HE1 TYR 23 HE1 TYR 23 -5.981 -7.207 1.717
141 HE2 TYR 23 HE2 TYR 23 -6.504 -4.226 4.724
142 HH TYR 23 HH TYR 23 -5.857 -7.615 3.903
143 H THR 24 H THR 24 -5.647 -0.474 -1.007
144 HA THR 24 HA THR 24 -7.316 -0.006 -3.391
145 HB THR 24 HB THR 24 -7.475 2.339 -2.690
146 HG1 THR 24 HG1 THR 24 -6.745 2.557 -0.310
147 HG21 THR 24 3HG2 THR 24 -9.219 1.942 -1.310
148 HG22 THR 24 1HG2 THR 24 -8.245 1.005 -0.179
149 HG23 THR 24 2HG2 THR 24 -8.857 0.251 -1.651
150 H ASN 25 H ASN 25 -6.400 0.787 -5.192
151 HA ASN 25 HA ASN 25 -3.767 0.621 -5.798
152 HB2 ASN 25 1HB ASN 25 -5.874 1.305 -7.244
153 HB3 ASN 25 2HB ASN 25 -5.254 2.932 -6.974
154 HD21 ASN 25 1HD2 ASN 25 -5.182 2.635 -9.410
155 HD22 ASN 25 2HD2 ASN 25 -3.688 2.064 -10.063
156 H SER 26 H SER 26 -5.347 3.705 -4.937
157 HA SER 26 HA SER 26 -3.264 5.412 -4.883
158 HB2 SER 26 1HB SER 26 -5.581 5.146 -2.982
159 HB3 SER 26 2HB SER 26 -4.393 6.435 -2.787
160 HG SER 26 HG SER 26 -6.078 5.943 -5.011
161 H GLN 27 H GLN 27 -4.157 3.356 -2.110
162 HA GLN 27 HA GLN 27 -2.068 4.038 -0.423
163 HB2 GLN 27 1HB GLN 27 -3.843 1.670 -0.707
164 HB3 GLN 27 2HB GLN 27 -2.410 1.485 0.295
165 HG2 GLN 27 1HG GLN 27 -3.105 3.323 1.696
166 HG3 GLN 27 2HG GLN 27 -4.493 3.627 0.653
167 HE21 GLN 27 1HE2 GLN 27 -5.834 3.365 2.492
168 HE22 GLN 27 2HE2 GLN 27 -6.226 1.790 3.084
169 H CYS 28 H CYS 28 -2.187 1.528 -2.922
170 HA CYS 28 HA CYS 28 0.313 0.377 -2.442
171 HB2 CYS 28 1HB CYS 28 -1.243 -0.736 -3.890
172 HB3 CYS 28 2HB CYS 28 -1.291 0.638 -4.988
173 HG CYS 28 HG CYS 28 1.675 -0.937 -4.503
174 H TYR 29 H TYR 29 -0.606 3.166 -4.400
175 HA TYR 29 HA TYR 29 1.965 3.575 -5.541
176 HB2 TYR 29 1HB TYR 29 -0.233 4.471 -6.425
177 HB3 TYR 29 2HB TYR 29 -0.172 5.672 -5.139
178 HD1 TYR 29 HD1 TYR 29 1.930 4.349 -7.931
179 HD2 TYR 29 HD2 TYR 29 0.812 7.717 -5.584
180 HE1 TYR 29 HE1 TYR 29 3.316 5.795 -9.358
181 HE2 TYR 29 HE2 TYR 29 2.193 9.173 -7.005
182 HH TYR 29 HH TYR 29 3.413 9.304 -8.872
183 H SER 30 H SER 30 0.225 5.321 -2.961
184 HA SER 30 HA SER 30 1.988 7.176 -2.168
185 HB2 SER 30 1HB SER 30 1.044 7.114 -0.010
186 HB3 SER 30 2HB SER 30 -0.219 6.454 -1.048
187 HG SER 30 HG SER 30 0.806 4.338 -0.458
188 H HIS 31 H HIS 31 2.313 3.719 -1.606
189 HA HIS 31 HA HIS 31 4.726 4.037 -0.044
190 HB2 HIS 31 1HB HIS 31 3.494 2.181 0.650
191 HB3 HIS 31 2HB HIS 31 3.116 1.692 -1.000
192 HD1 HIS 31 HD1 HIS 31 5.579 1.222 1.704
193 HD2 HIS 31 HD2 HIS 31 5.254 0.339 -2.343
194 HE1 HIS 31 HE1 HIS 31 7.382 -0.468 1.237
195 H GLN 32 H GLN 32 3.858 2.862 -3.276
196 HA GLN 32 HA GLN 32 6.293 1.977 -4.180
197 HB2 GLN 32 1HB GLN 32 3.928 3.217 -5.489
198 HB3 GLN 32 2HB GLN 32 5.404 3.094 -6.439
199 HG2 GLN 32 1HG GLN 32 5.460 0.674 -5.986
200 HG3 GLN 32 2HG GLN 32 3.934 0.825 -5.118
201 HE21 GLN 32 1HE2 GLN 32 3.153 -0.735 -6.666
202 HE22 GLN 32 2HE2 GLN 32 2.619 -0.201 -8.220
203 H ARG 33 H ARG 33 5.166 5.294 -3.863
204 HA ARG 33 HA ARG 33 7.271 6.534 -5.274
205 HB2 ARG 33 1HB ARG 33 5.293 7.457 -3.219
206 HB3 ARG 33 2HB ARG 33 6.604 8.520 -3.713
207 HG2 ARG 33 1HG ARG 33 5.855 8.360 -6.037
208 HG3 ARG 33 2HG ARG 33 4.533 7.307 -5.531
209 HD2 ARG 33 1HD ARG 33 4.839 9.957 -4.208
210 HD3 ARG 33 2HD ARG 33 4.182 9.901 -5.843
211 HE ARG 33 HE ARG 33 2.931 8.103 -3.956
212 HH11 ARG 33 1HH1 ARG 33 2.897 11.255 -5.433
213 HH12 ARG 33 2HH1 ARG 33 1.221 11.538 -5.097
214 HH21 ARG 33 1HH2 ARG 33 0.724 8.463 -3.508
215 HH22 ARG 33 2HH2 ARG 33 -0.014 9.949 -4.002
216 H SER 34 H SER 34 6.842 5.761 -1.842
217 HA SER 34 HA SER 34 8.957 6.999 -0.674
218 HB2 SER 34 1HB SER 34 7.309 5.481 0.464
219 HB3 SER 34 2HB SER 34 8.241 4.109 -0.133
220 HG SER 34 HG SER 34 9.358 4.388 1.623
221 H HIS 35 H HIS 35 9.119 3.797 -2.232
222 HA HIS 35 HA HIS 35 11.717 3.127 -1.921
223 HB2 HIS 35 1HB HIS 35 9.841 2.796 -4.223
224 HB3 HIS 35 2HB HIS 35 11.525 2.326 -4.433
225 HD1 HIS 35 HD1 HIS 35 12.390 0.585 -2.464
226 HD2 HIS 35 HD2 HIS 35 8.304 0.834 -3.175
227 HE1 HIS 35 HE1 HIS 35 11.408 -1.512 -1.484
228 H SER 36 H SER 36 13.469 4.363 -2.034
229 HA SER 36 HA SER 36 13.744 6.190 -4.332
230 HB2 SER 36 1HB SER 36 14.996 6.512 -1.595
231 HB3 SER 36 2HB SER 36 15.083 7.657 -2.933
232 HG SER 36 HG SER 36 12.535 6.912 -2.158
233 H GLY 37 H GLY 37 15.044 5.227 -5.762
234 HA2 GLY 37 1HA GLY 37 17.265 3.573 -4.824
235 HA3 GLY 37 2HA GLY 37 16.682 3.688 -6.478
236 H GLU 38 H GLU 38 19.389 4.028 -5.095
237 HA GLU 38 HA GLU 38 20.141 6.748 -5.467
238 HB2 GLU 38 1HB GLU 38 21.663 4.188 -5.072
239 HB3 GLU 38 2HB GLU 38 22.506 5.684 -5.450
240 HG2 GLU 38 1HG GLU 38 22.059 6.618 -3.425
241 HG3 GLU 38 2HG GLU 38 20.554 5.724 -3.220
242 H LYS 39 H LYS 39 19.635 7.456 -7.507
243 HA LYS 39 HA LYS 39 20.621 5.984 -9.820
244 HB2 LYS 39 1HB LYS 39 18.829 8.372 -9.464
245 HB3 LYS 39 2HB LYS 39 19.501 7.973 -11.039
246 HG2 LYS 39 1HG LYS 39 18.511 5.603 -10.515
247 HG3 LYS 39 2HG LYS 39 17.477 6.519 -9.415
248 HD2 LYS 39 1HD LYS 39 16.199 6.626 -11.304
249 HD3 LYS 39 2HD LYS 39 17.198 8.060 -11.554
250 HE2 LYS 39 1HE LYS 39 18.026 5.379 -12.614
251 HE3 LYS 39 2HE LYS 39 16.906 6.407 -13.507
252 HZ1 LYS 39 3HZ LYS 39 19.745 6.647 -13.194
253 HZ2 LYS 39 1HZ LYS 39 18.932 8.091 -12.849
254 HZ3 LYS 39 2HZ LYS 39 18.724 7.341 -14.351
255 HA PRO 40 HA PRO 40 24.349 8.378 -9.957
256 HB2 PRO 40 1HB PRO 40 25.184 7.534 -12.398
257 HB3 PRO 40 2HB PRO 40 25.303 6.536 -10.944
258 HG2 PRO 40 1HG PRO 40 23.248 6.475 -13.120
259 HG3 PRO 40 2HG PRO 40 24.054 5.123 -12.305
260 HD2 PRO 40 1HD PRO 40 21.548 5.923 -11.666
261 HD3 PRO 40 2HD PRO 40 22.665 5.237 -10.469
262 H SER 41 H SER 41 22.269 8.241 -12.846
263 HA SER 41 HA SER 41 22.758 11.120 -13.225
264 HB2 SER 41 1HB SER 41 22.737 8.917 -15.278
265 HB3 SER 41 2HB SER 41 22.420 10.593 -15.727
266 HG SER 41 HG SER 41 24.507 10.768 -15.788
267 H GLY 42 H GLY 42 20.869 11.857 -12.355
268 HA2 GLY 42 1HA GLY 42 18.355 10.719 -13.376
269 HA3 GLY 42 2HA GLY 42 18.517 11.695 -11.923
270 HA PRO 43 HA PRO 43 17.101 14.259 -15.635
271 HB2 PRO 43 1HB PRO 43 14.608 14.823 -14.722
272 HB3 PRO 43 2HB PRO 43 14.969 13.408 -15.718
273 HG2 PRO 43 1HG PRO 43 14.635 13.599 -12.750
274 HG3 PRO 43 2HG PRO 43 14.018 12.369 -13.868
275 HD2 PRO 43 1HD PRO 43 16.223 11.978 -12.345
276 HD3 PRO 43 2HD PRO 43 16.035 11.256 -13.956
277 H SER 44 H SER 44 16.384 16.549 -15.536
278 HA SER 44 HA SER 44 17.444 17.818 -13.111
279 HB2 SER 44 1HB SER 44 18.431 18.328 -15.402
280 HB3 SER 44 2HB SER 44 16.921 19.164 -15.763
281 HG SER 44 HG SER 44 18.190 19.823 -13.378
282 H SER 45 H SER 45 14.722 17.973 -15.374
283 HA SER 45 HA SER 45 13.308 19.825 -13.625
284 HB2 SER 45 1HB SER 45 13.322 20.042 -16.157
285 HB3 SER 45 2HB SER 45 12.291 18.611 -16.198
286 HG SER 45 HG SER 45 10.819 20.156 -16.082
287 H GLY 46 H GLY 46 12.636 16.665 -15.148
288 HA2 GLY 46 1HA GLY 46 10.389 16.166 -13.436
289 HA3 GLY 46 2HA GLY 46 11.114 15.029 -14.563
Start of MODEL 19
1 H1 GLY 1 H GLY 1 14.894 -11.629 -3.579
2 HA2 GLY 1 1HA GLY 1 12.645 -12.483 -2.176
3 HA3 GLY 1 2HA GLY 1 14.306 -12.790 -1.690
4 H SER 2 H SER 2 12.157 -9.944 -1.813
5 HA SER 2 HA SER 2 13.274 -8.966 0.671
6 HB2 SER 2 1HB SER 2 11.891 -7.001 0.301
7 HB3 SER 2 2HB SER 2 12.710 -7.426 -1.201
8 HG SER 2 HG SER 2 10.673 -8.624 -1.665
9 H SER 3 H SER 3 10.247 -10.351 -0.480
10 HA SER 3 HA SER 3 9.037 -10.116 2.158
11 HB2 SER 3 1HB SER 3 7.882 -9.847 -0.209
12 HB3 SER 3 2HB SER 3 7.726 -11.599 -0.084
13 HG SER 3 HG SER 3 6.537 -9.585 1.442
14 H GLY 4 H GLY 4 8.924 -11.713 3.614
15 HA2 GLY 4 1HA GLY 4 9.486 -14.465 2.729
16 HA3 GLY 4 2HA GLY 4 10.401 -13.775 4.061
17 H SER 5 H SER 5 7.309 -15.008 3.030
18 HA SER 5 HA SER 5 5.463 -15.701 4.167
19 HB2 SER 5 1HB SER 5 7.675 -16.165 6.143
20 HB3 SER 5 2HB SER 5 6.002 -16.484 6.599
21 HG SER 5 HG SER 5 6.167 -17.643 4.343
22 H SER 6 H SER 6 5.738 -12.947 4.030
23 HA SER 6 HA SER 6 4.959 -11.979 6.690
24 HB2 SER 6 1HB SER 6 6.787 -10.819 5.333
25 HB3 SER 6 2HB SER 6 5.500 -10.272 4.260
26 HG SER 6 HG SER 6 5.057 -9.856 6.955
27 H GLY 7 H GLY 7 3.100 -13.576 5.373
28 HA2 GLY 7 1HA GLY 7 0.707 -12.538 5.680
29 HA3 GLY 7 2HA GLY 7 1.156 -11.738 4.182
30 H SER 8 H SER 8 -0.993 -13.683 4.778
31 HA SER 8 HA SER 8 -0.197 -16.069 3.327
32 HB2 SER 8 1HB SER 8 -1.689 -16.302 5.260
33 HB3 SER 8 2HB SER 8 -2.881 -15.264 4.477
34 HG SER 8 HG SER 8 -2.237 -17.916 3.993
35 H GLY 9 H GLY 9 -1.125 -16.756 1.366
36 HA2 GLY 9 1HA GLY 9 -1.694 -16.395 -0.835
37 HA3 GLY 9 2HA GLY 9 -3.072 -15.552 -0.145
38 H GLU 10 H GLU 10 -2.878 -14.273 -2.147
39 HA GLU 10 HA GLU 10 -0.764 -12.233 -1.960
40 HB2 GLU 10 1HB GLU 10 -0.891 -11.919 -4.284
41 HB3 GLU 10 2HB GLU 10 -0.987 -13.661 -4.072
42 HG2 GLU 10 1HG GLU 10 -3.475 -13.455 -4.232
43 HG3 GLU 10 2HG GLU 10 -3.240 -11.765 -4.673
44 H LYS 11 H LYS 11 -1.693 -10.158 -3.283
45 HA LYS 11 HA LYS 11 -4.306 -9.497 -2.100
46 HB2 LYS 11 1HB LYS 11 -1.698 -8.101 -1.813
47 HB3 LYS 11 2HB LYS 11 -3.127 -7.094 -2.006
48 HG2 LYS 11 1HG LYS 11 -4.116 -7.952 -0.041
49 HG3 LYS 11 2HG LYS 11 -2.938 -9.262 0.064
50 HD2 LYS 11 1HD LYS 11 -1.162 -7.629 0.482
51 HD3 LYS 11 2HD LYS 11 -2.340 -6.319 0.373
52 HE2 LYS 11 1HE LYS 11 -3.564 -7.721 2.236
53 HE3 LYS 11 2HE LYS 11 -1.942 -8.352 2.513
54 HZ1 LYS 11 3HZ LYS 11 -2.984 -5.653 2.941
55 HZ2 LYS 11 1HZ LYS 11 -1.367 -5.803 2.467
56 HZ3 LYS 11 2HZ LYS 11 -1.907 -6.557 3.881
57 HA PRO 12 HA PRO 12 -5.477 -7.829 -5.985
58 HB2 PRO 12 1HB PRO 12 -6.873 -5.606 -5.289
59 HB3 PRO 12 2HB PRO 12 -7.484 -7.245 -5.032
60 HG2 PRO 12 1HG PRO 12 -6.171 -5.387 -3.087
61 HG3 PRO 12 2HG PRO 12 -7.588 -6.428 -2.857
62 HD2 PRO 12 1HD PRO 12 -5.122 -7.106 -1.966
63 HD3 PRO 12 2HD PRO 12 -6.305 -8.312 -2.513
64 H PHE 13 H PHE 13 -3.680 -5.795 -3.804
65 HA PHE 13 HA PHE 13 -2.379 -4.516 -6.064
66 HB2 PHE 13 1HB PHE 13 -3.725 -2.902 -3.887
67 HB3 PHE 13 2HB PHE 13 -2.682 -2.246 -5.144
68 HD1 PHE 13 HD2 PHE 13 -5.903 -3.947 -4.528
69 HD2 PHE 13 HD1 PHE 13 -3.519 -1.748 -7.284
70 HE1 PHE 13 HE2 PHE 13 -7.855 -3.686 -6.002
71 HE2 PHE 13 HE1 PHE 13 -5.468 -1.482 -8.762
72 HZ PHE 13 HZ PHE 13 -7.639 -2.453 -8.123
73 H LYS 14 H LYS 14 -0.309 -4.921 -5.683
74 HA LYS 14 HA LYS 14 0.751 -4.395 -2.991
75 HB2 LYS 14 1HB LYS 14 2.383 -6.333 -3.527
76 HB3 LYS 14 2HB LYS 14 0.759 -6.724 -2.977
77 HG2 LYS 14 1HG LYS 14 0.072 -7.122 -5.289
78 HG3 LYS 14 2HG LYS 14 1.705 -6.736 -5.837
79 HD2 LYS 14 1HD LYS 14 1.380 -8.836 -3.755
80 HD3 LYS 14 2HD LYS 14 0.928 -9.232 -5.414
81 HE2 LYS 14 1HE LYS 14 3.125 -9.816 -5.499
82 HE3 LYS 14 2HE LYS 14 3.282 -8.110 -5.914
83 HZ1 LYS 14 3HZ LYS 14 4.880 -8.718 -4.232
84 HZ2 LYS 14 1HZ LYS 14 3.656 -9.294 -3.216
85 HZ3 LYS 14 2HZ LYS 14 3.751 -7.644 -3.574
86 H CYS 15 H CYS 15 3.006 -3.833 -2.927
87 HA CYS 15 HA CYS 15 3.763 -2.029 -4.953
88 HB2 CYS 15 1HB CYS 15 4.474 -1.912 -2.553
89 HB3 CYS 15 2HB CYS 15 5.558 -3.265 -2.858
90 H GLU 16 H GLU 16 5.358 -2.128 -6.529
91 HA GLU 16 HA GLU 16 5.897 -4.805 -7.531
92 HB2 GLU 16 1HB GLU 16 6.270 -3.844 -9.599
93 HB3 GLU 16 2HB GLU 16 5.109 -2.724 -8.900
94 HG2 GLU 16 1HG GLU 16 6.812 -1.147 -8.392
95 HG3 GLU 16 2HG GLU 16 8.082 -2.301 -8.796
96 H GLU 17 H GLU 17 7.485 -2.342 -5.777
97 HA GLU 17 HA GLU 17 10.163 -3.019 -6.560
98 HB2 GLU 17 1HB GLU 17 8.991 -1.311 -4.379
99 HB3 GLU 17 2HB GLU 17 10.716 -1.639 -4.457
100 HG2 GLU 17 1HG GLU 17 10.637 0.323 -5.599
101 HG3 GLU 17 2HG GLU 17 10.430 -0.811 -6.933
102 H CYS 18 H CYS 18 8.471 -3.313 -3.431
103 HA CYS 18 HA CYS 18 10.260 -5.534 -2.746
104 HB2 CYS 18 1HB CYS 18 9.330 -5.190 -0.424
105 HB3 CYS 18 2HB CYS 18 10.257 -3.838 -1.067
106 H GLY 19 H GLY 19 6.807 -4.661 -2.584
107 HA2 GLY 19 1HA GLY 19 5.339 -6.422 -3.641
108 HA3 GLY 19 2HA GLY 19 6.189 -7.549 -2.595
109 H LYS 20 H LYS 20 5.662 -4.510 -1.178
110 HA LYS 20 HA LYS 20 4.338 -5.299 1.038
111 HB2 LYS 20 1HB LYS 20 5.105 -2.910 0.159
112 HB3 LYS 20 2HB LYS 20 3.387 -2.750 -0.181
113 HG2 LYS 20 1HG LYS 20 3.401 -1.918 1.923
114 HG3 LYS 20 2HG LYS 20 3.203 -3.627 2.318
115 HD2 LYS 20 1HD LYS 20 5.824 -3.617 2.308
116 HD3 LYS 20 2HD LYS 20 5.615 -1.883 2.563
117 HE2 LYS 20 1HE LYS 20 4.472 -2.217 4.594
118 HE3 LYS 20 2HE LYS 20 4.211 -3.928 4.259
119 HZ1 LYS 20 3HZ LYS 20 6.805 -3.966 4.266
120 HZ2 LYS 20 1HZ LYS 20 5.944 -4.025 5.721
121 HZ3 LYS 20 2HZ LYS 20 6.632 -2.569 5.204
122 H GLY 21 H GLY 21 2.072 -5.028 1.739
123 HA2 GLY 21 1HA GLY 21 0.254 -5.990 -0.372
124 HA3 GLY 21 2HA GLY 21 0.076 -6.321 1.345
125 H PHE 22 H PHE 22 -1.606 -4.968 -0.855
126 HA PHE 22 HA PHE 22 -2.638 -2.891 0.893
127 HB2 PHE 22 1HB PHE 22 -1.895 -2.254 -1.969
128 HB3 PHE 22 2HB PHE 22 -2.614 -1.152 -0.799
129 HD1 PHE 22 HD1 PHE 22 -1.192 -1.020 1.485
130 HD2 PHE 22 HD2 PHE 22 0.343 -2.009 -2.360
131 HE1 PHE 22 HE1 PHE 22 1.053 -0.315 2.203
132 HE2 PHE 22 HE2 PHE 22 2.591 -1.307 -1.647
133 HZ PHE 22 HZ PHE 22 2.948 -0.459 0.637
134 H TYR 23 H TYR 23 -4.714 -1.976 0.003
135 HA TYR 23 HA TYR 23 -6.156 -4.064 -1.496
136 HB2 TYR 23 1HB TYR 23 -6.856 -2.534 0.952
137 HB3 TYR 23 2HB TYR 23 -8.159 -2.850 -0.188
138 HD1 TYR 23 HD2 TYR 23 -5.357 -5.180 0.262
139 HD2 TYR 23 HD1 TYR 23 -9.379 -4.285 1.322
140 HE1 TYR 23 HE2 TYR 23 -5.611 -7.445 1.186
141 HE2 TYR 23 HE1 TYR 23 -9.644 -6.547 2.250
142 HH TYR 23 HH TYR 23 -8.720 -8.584 2.430
143 H THR 24 H THR 24 -5.609 -0.642 -1.049
144 HA THR 24 HA THR 24 -7.301 -0.084 -3.396
145 HB THR 24 HB THR 24 -7.417 2.245 -2.618
146 HG1 THR 24 HG1 THR 24 -5.792 1.229 -0.522
147 HG21 THR 24 3HG2 THR 24 -8.303 1.178 -0.129
148 HG22 THR 24 1HG2 THR 24 -8.627 -0.010 -1.391
149 HG23 THR 24 2HG2 THR 24 -9.264 1.628 -1.538
150 H ASN 25 H ASN 25 -6.325 0.531 -5.211
151 HA ASN 25 HA ASN 25 -3.681 0.460 -5.756
152 HB2 ASN 25 1HB ASN 25 -5.734 0.933 -7.306
153 HB3 ASN 25 2HB ASN 25 -5.306 2.622 -7.054
154 HD21 ASN 25 1HD2 ASN 25 -5.243 1.685 -9.554
155 HD22 ASN 25 2HD2 ASN 25 -3.617 1.498 -10.105
156 H SER 26 H SER 26 -5.417 3.488 -5.012
157 HA SER 26 HA SER 26 -3.471 5.331 -5.040
158 HB2 SER 26 1HB SER 26 -5.437 5.036 -2.756
159 HB3 SER 26 2HB SER 26 -4.611 6.519 -3.233
160 HG SER 26 HG SER 26 -6.896 5.560 -4.157
161 H GLN 27 H GLN 27 -4.104 3.293 -2.182
162 HA GLN 27 HA GLN 27 -1.999 4.145 -0.605
163 HB2 GLN 27 1HB GLN 27 -3.593 1.639 -0.779
164 HB3 GLN 27 2HB GLN 27 -2.120 1.598 0.180
165 HG2 GLN 27 1HG GLN 27 -4.143 3.758 0.593
166 HG3 GLN 27 2HG GLN 27 -4.358 2.168 1.323
167 HE21 GLN 27 1HE2 GLN 27 -4.147 4.366 2.905
168 HE22 GLN 27 2HE2 GLN 27 -2.639 4.349 3.748
169 H CYS 28 H CYS 28 -2.028 1.319 -2.780
170 HA CYS 28 HA CYS 28 0.533 0.428 -2.476
171 HB2 CYS 28 1HB CYS 28 -0.955 -0.782 -3.895
172 HB3 CYS 28 2HB CYS 28 -1.152 0.594 -4.974
173 HG CYS 28 HG CYS 28 0.349 -0.920 -6.549
174 H TYR 29 H TYR 29 -0.549 3.116 -4.508
175 HA TYR 29 HA TYR 29 1.998 3.659 -5.636
176 HB2 TYR 29 1HB TYR 29 -0.255 4.402 -6.538
177 HB3 TYR 29 2HB TYR 29 -0.252 5.643 -5.290
178 HD1 TYR 29 HD1 TYR 29 2.086 4.334 -7.905
179 HD2 TYR 29 HD2 TYR 29 0.444 7.735 -5.945
180 HE1 TYR 29 HE1 TYR 29 3.390 5.807 -9.382
181 HE2 TYR 29 HE2 TYR 29 1.743 9.217 -7.417
182 HH TYR 29 HH TYR 29 2.913 8.534 -10.148
183 H SER 30 H SER 30 0.187 5.137 -2.958
184 HA SER 30 HA SER 30 1.856 7.180 -2.246
185 HB2 SER 30 1HB SER 30 0.093 5.356 -0.657
186 HB3 SER 30 2HB SER 30 1.139 6.490 0.198
187 HG SER 30 HG SER 30 -1.025 7.267 -0.357
188 H HIS 31 H HIS 31 2.202 3.757 -1.418
189 HA HIS 31 HA HIS 31 4.554 4.157 0.165
190 HB2 HIS 31 1HB HIS 31 3.436 2.229 0.791
191 HB3 HIS 31 2HB HIS 31 3.060 1.782 -0.871
192 HD1 HIS 31 HD1 HIS 31 5.558 1.299 1.801
193 HD2 HIS 31 HD2 HIS 31 5.214 0.516 -2.265
194 HE1 HIS 31 HE1 HIS 31 7.397 -0.334 1.273
195 H GLN 32 H GLN 32 3.962 2.800 -3.073
196 HA GLN 32 HA GLN 32 6.412 2.062 -3.899
197 HB2 GLN 32 1HB GLN 32 4.128 2.400 -5.199
198 HB3 GLN 32 2HB GLN 32 4.928 3.863 -5.757
199 HG2 GLN 32 1HG GLN 32 6.772 2.537 -6.631
200 HG3 GLN 32 2HG GLN 32 5.996 1.065 -6.050
201 HE21 GLN 32 1HE2 GLN 32 4.145 0.307 -7.088
202 HE22 GLN 32 2HE2 GLN 32 3.702 0.840 -8.670
203 H ARG 33 H ARG 33 5.245 5.423 -4.172
204 HA ARG 33 HA ARG 33 7.386 6.706 -5.180
205 HB2 ARG 33 1HB ARG 33 5.877 7.697 -2.756
206 HB3 ARG 33 2HB ARG 33 6.746 8.681 -3.925
207 HG2 ARG 33 1HG ARG 33 5.145 7.784 -5.667
208 HG3 ARG 33 2HG ARG 33 4.197 7.148 -4.322
209 HD2 ARG 33 1HD ARG 33 5.018 10.032 -4.449
210 HD3 ARG 33 2HD ARG 33 3.565 9.449 -5.260
211 HE ARG 33 HE ARG 33 2.553 9.157 -3.201
212 HH11 ARG 33 1HH1 ARG 33 5.917 9.961 -2.802
213 HH12 ARG 33 2HH1 ARG 33 5.777 10.267 -1.102
214 HH21 ARG 33 1HH2 ARG 33 2.356 9.557 -0.964
215 HH22 ARG 33 2HH2 ARG 33 3.751 10.036 -0.057
216 H SER 34 H SER 34 7.034 5.775 -1.769
217 HA SER 34 HA SER 34 9.211 6.850 -0.596
218 HB2 SER 34 1HB SER 34 7.694 5.393 0.624
219 HB3 SER 34 2HB SER 34 8.255 3.993 -0.290
220 HG SER 34 HG SER 34 9.192 4.464 1.908
221 H HIS 35 H HIS 35 9.251 3.853 -2.511
222 HA HIS 35 HA HIS 35 11.920 3.196 -2.286
223 HB2 HIS 35 1HB HIS 35 9.941 2.828 -4.519
224 HB3 HIS 35 2HB HIS 35 11.602 2.267 -4.683
225 HD1 HIS 35 HD1 HIS 35 12.371 0.483 -2.796
226 HD2 HIS 35 HD2 HIS 35 8.285 1.101 -3.222
227 HE1 HIS 35 HE1 HIS 35 11.273 -1.487 -1.683
228 H SER 36 H SER 36 13.792 3.703 -3.402
229 HA SER 36 HA SER 36 13.680 6.207 -4.949
230 HB2 SER 36 1HB SER 36 15.733 5.126 -3.035
231 HB3 SER 36 2HB SER 36 16.170 6.337 -4.241
232 HG SER 36 HG SER 36 13.886 6.887 -2.792
233 H GLY 37 H GLY 37 14.895 6.399 -6.833
234 HA2 GLY 37 1HA GLY 37 16.630 4.322 -7.758
235 HA3 GLY 37 2HA GLY 37 15.053 4.239 -8.529
236 H GLU 38 H GLU 38 14.485 6.973 -8.729
237 HA GLU 38 HA GLU 38 16.185 7.645 -10.975
238 HB2 GLU 38 1HB GLU 38 14.569 9.434 -11.397
239 HB3 GLU 38 2HB GLU 38 13.759 7.889 -11.182
240 HG2 GLU 38 1HG GLU 38 13.571 8.701 -8.693
241 HG3 GLU 38 2HG GLU 38 13.763 10.290 -9.432
242 H LYS 39 H LYS 39 17.720 7.752 -8.761
243 HA LYS 39 HA LYS 39 18.003 10.636 -8.217
244 HB2 LYS 39 1HB LYS 39 17.503 9.463 -6.174
245 HB3 LYS 39 2HB LYS 39 18.740 8.258 -6.506
246 HG2 LYS 39 1HG LYS 39 19.635 9.691 -4.867
247 HG3 LYS 39 2HG LYS 39 20.427 10.127 -6.382
248 HD2 LYS 39 1HD LYS 39 19.884 12.200 -5.526
249 HD3 LYS 39 2HD LYS 39 18.495 11.871 -6.565
250 HE2 LYS 39 1HE LYS 39 17.410 10.877 -4.464
251 HE3 LYS 39 2HE LYS 39 18.690 11.700 -3.574
252 HZ1 LYS 39 3HZ LYS 39 16.684 13.044 -3.706
253 HZ2 LYS 39 1HZ LYS 39 16.745 13.010 -5.396
254 HZ3 LYS 39 2HZ LYS 39 17.962 13.794 -4.522
255 HA PRO 40 HA PRO 40 21.702 9.973 -10.685
256 HB2 PRO 40 1HB PRO 40 22.306 12.611 -10.902
257 HB3 PRO 40 2HB PRO 40 21.074 11.822 -11.895
258 HG2 PRO 40 1HG PRO 40 20.739 13.486 -9.429
259 HG3 PRO 40 2HG PRO 40 19.798 13.510 -10.932
260 HD2 PRO 40 1HD PRO 40 18.937 12.251 -8.694
261 HD3 PRO 40 2HD PRO 40 18.546 11.672 -10.326
262 H SER 41 H SER 41 23.500 9.308 -9.706
263 HA SER 41 HA SER 41 24.319 10.342 -7.155
264 HB2 SER 41 1HB SER 41 26.051 8.672 -7.225
265 HB3 SER 41 2HB SER 41 24.576 7.940 -7.857
266 HG SER 41 HG SER 41 25.435 7.851 -9.810
267 H GLY 42 H GLY 42 25.816 11.847 -6.717
268 HA2 GLY 42 1HA GLY 42 28.129 12.489 -7.970
269 HA3 GLY 42 2HA GLY 42 26.928 13.362 -8.911
270 HA PRO 43 HA PRO 43 28.290 15.702 -4.998
271 HB2 PRO 43 1HB PRO 43 29.858 17.571 -6.190
272 HB3 PRO 43 2HB PRO 43 30.486 16.033 -5.587
273 HG2 PRO 43 1HG PRO 43 29.755 16.815 -8.383
274 HG3 PRO 43 2HG PRO 43 31.164 15.905 -7.808
275 HD2 PRO 43 1HD PRO 43 29.003 14.701 -8.908
276 HD3 PRO 43 2HD PRO 43 29.981 13.934 -7.641
277 H SER 44 H SER 44 27.605 16.882 -8.278
278 HA SER 44 HA SER 44 25.414 18.480 -7.262
279 HB2 SER 44 1HB SER 44 26.251 20.553 -8.411
280 HB3 SER 44 2HB SER 44 27.192 20.082 -6.996
281 HG SER 44 HG SER 44 28.863 19.733 -8.229
282 H SER 45 H SER 45 23.884 18.986 -8.822
283 HA SER 45 HA SER 45 24.091 17.423 -11.265
284 HB2 SER 45 1HB SER 45 21.722 17.750 -11.494
285 HB3 SER 45 2HB SER 45 22.041 17.376 -9.800
286 HG SER 45 HG SER 45 20.688 19.375 -10.614
287 H GLY 46 H GLY 46 23.833 18.257 -13.350
288 HA2 GLY 46 1HA GLY 46 23.790 21.166 -13.661
289 HA3 GLY 46 2HA GLY 46 25.199 20.310 -14.268
Start of MODEL 20
1 H1 GLY 1 H GLY 1 3.267 -31.621 -2.466
2 HA2 GLY 1 1HA GLY 1 3.420 -31.483 -5.219
3 HA3 GLY 1 2HA GLY 1 2.071 -30.449 -4.774
4 H SER 2 H SER 2 2.564 -28.386 -4.518
5 HA SER 2 HA SER 2 5.213 -27.688 -3.449
6 HB2 SER 2 1HB SER 2 4.938 -27.422 -6.014
7 HB3 SER 2 2HB SER 2 3.924 -26.037 -5.609
8 HG SER 2 HG SER 2 6.014 -25.691 -4.156
9 H SER 3 H SER 3 5.307 -25.837 -2.184
10 HA SER 3 HA SER 3 3.094 -25.224 -0.624
11 HB2 SER 3 1HB SER 3 4.415 -23.513 0.372
12 HB3 SER 3 2HB SER 3 5.548 -24.777 -0.107
13 HG SER 3 HG SER 3 5.763 -22.305 -0.719
14 H GLY 4 H GLY 4 4.398 -23.525 -3.446
15 HA2 GLY 4 1HA GLY 4 2.860 -22.494 -5.004
16 HA3 GLY 4 2HA GLY 4 1.828 -22.092 -3.640
17 H SER 5 H SER 5 2.283 -20.289 -2.387
18 HA SER 5 HA SER 5 4.344 -18.500 -3.501
19 HB2 SER 5 1HB SER 5 2.938 -16.635 -3.099
20 HB3 SER 5 2HB SER 5 1.884 -17.857 -3.808
21 HG SER 5 HG SER 5 0.902 -18.139 -1.920
22 H SER 6 H SER 6 4.976 -16.741 -1.869
23 HA SER 6 HA SER 6 5.925 -18.091 0.500
24 HB2 SER 6 1HB SER 6 7.206 -16.035 0.898
25 HB3 SER 6 2HB SER 6 7.410 -16.585 -0.765
26 HG SER 6 HG SER 6 6.856 -14.231 -0.223
27 H GLY 7 H GLY 7 3.226 -18.020 0.679
28 HA2 GLY 7 1HA GLY 7 2.743 -16.899 3.179
29 HA3 GLY 7 2HA GLY 7 2.168 -15.740 1.990
30 H SER 8 H SER 8 0.033 -16.031 2.779
31 HA SER 8 HA SER 8 -1.197 -18.642 2.552
32 HB2 SER 8 1HB SER 8 -2.417 -15.951 3.214
33 HB3 SER 8 2HB SER 8 -3.233 -17.508 3.349
34 HG SER 8 HG SER 8 -0.971 -17.724 4.673
35 H GLY 9 H GLY 9 -1.388 -15.504 0.911
36 HA2 GLY 9 1HA GLY 9 -2.210 -16.817 -1.532
37 HA3 GLY 9 2HA GLY 9 -3.444 -15.790 -0.818
38 H GLU 10 H GLU 10 -3.439 -13.696 -1.333
39 HA GLU 10 HA GLU 10 -1.095 -12.176 -1.803
40 HB2 GLU 10 1HB GLU 10 -1.126 -11.864 -4.133
41 HB3 GLU 10 2HB GLU 10 -1.298 -13.601 -3.916
42 HG2 GLU 10 1HG GLU 10 -3.591 -11.715 -4.400
43 HG3 GLU 10 2HG GLU 10 -2.777 -12.647 -5.656
44 H LYS 11 H LYS 11 -1.823 -10.038 -3.073
45 HA LYS 11 HA LYS 11 -4.438 -9.247 -1.967
46 HB2 LYS 11 1HB LYS 11 -1.768 -7.966 -1.755
47 HB3 LYS 11 2HB LYS 11 -3.142 -6.895 -1.993
48 HG2 LYS 11 1HG LYS 11 -4.113 -7.479 0.029
49 HG3 LYS 11 2HG LYS 11 -3.200 -8.986 0.144
50 HD2 LYS 11 1HD LYS 11 -1.173 -7.790 0.618
51 HD3 LYS 11 2HD LYS 11 -1.959 -6.241 0.303
52 HE2 LYS 11 1HE LYS 11 -2.088 -6.263 2.578
53 HE3 LYS 11 2HE LYS 11 -3.591 -7.103 2.202
54 HZ1 LYS 11 3HZ LYS 11 -2.762 -9.094 2.891
55 HZ2 LYS 11 1HZ LYS 11 -1.889 -8.073 3.919
56 HZ3 LYS 11 2HZ LYS 11 -1.157 -8.699 2.528
57 HA PRO 12 HA PRO 12 -5.593 -7.672 -5.895
58 HB2 PRO 12 1HB PRO 12 -6.865 -5.357 -5.270
59 HB3 PRO 12 2HB PRO 12 -7.552 -6.951 -4.937
60 HG2 PRO 12 1HG PRO 12 -6.115 -5.084 -3.089
61 HG3 PRO 12 2HG PRO 12 -7.577 -6.043 -2.796
62 HD2 PRO 12 1HD PRO 12 -5.133 -6.807 -1.916
63 HD3 PRO 12 2HD PRO 12 -6.383 -7.973 -2.395
64 H PHE 13 H PHE 13 -3.534 -5.786 -3.874
65 HA PHE 13 HA PHE 13 -2.189 -4.675 -6.154
66 HB2 PHE 13 1HB PHE 13 -3.517 -2.780 -4.206
67 HB3 PHE 13 2HB PHE 13 -2.457 -2.323 -5.535
68 HD1 PHE 13 HD2 PHE 13 -5.736 -3.807 -4.708
69 HD2 PHE 13 HD1 PHE 13 -3.281 -2.076 -7.725
70 HE1 PHE 13 HE2 PHE 13 -7.683 -3.662 -6.205
71 HE2 PHE 13 HE1 PHE 13 -5.225 -1.927 -9.226
72 HZ PHE 13 HZ PHE 13 -7.430 -2.721 -8.467
73 H LYS 14 H LYS 14 -0.125 -4.963 -5.672
74 HA LYS 14 HA LYS 14 0.811 -4.283 -2.972
75 HB2 LYS 14 1HB LYS 14 2.454 -6.277 -3.339
76 HB3 LYS 14 2HB LYS 14 0.826 -6.587 -2.751
77 HG2 LYS 14 1HG LYS 14 0.920 -8.168 -4.366
78 HG3 LYS 14 2HG LYS 14 0.343 -6.821 -5.350
79 HD2 LYS 14 1HD LYS 14 2.082 -7.481 -6.659
80 HD3 LYS 14 2HD LYS 14 2.962 -6.394 -5.583
81 HE2 LYS 14 1HE LYS 14 2.798 -9.396 -5.458
82 HE3 LYS 14 2HE LYS 14 4.226 -8.400 -5.730
83 HZ1 LYS 14 3HZ LYS 14 2.675 -8.664 -3.215
84 HZ2 LYS 14 1HZ LYS 14 3.881 -7.502 -3.450
85 HZ3 LYS 14 2HZ LYS 14 4.272 -9.147 -3.492
86 H CYS 15 H CYS 15 3.018 -3.652 -2.840
87 HA CYS 15 HA CYS 15 3.906 -2.003 -4.903
88 HB2 CYS 15 1HB CYS 15 4.603 -1.782 -2.539
89 HB3 CYS 15 2HB CYS 15 5.568 -3.246 -2.701
90 H GLU 16 H GLU 16 5.547 -2.182 -6.434
91 HA GLU 16 HA GLU 16 6.031 -4.907 -7.350
92 HB2 GLU 16 1HB GLU 16 6.320 -4.049 -9.453
93 HB3 GLU 16 2HB GLU 16 5.283 -2.804 -8.771
94 HG2 GLU 16 1HG GLU 16 7.534 -1.673 -8.120
95 HG3 GLU 16 2HG GLU 16 8.199 -2.716 -9.376
96 H GLU 17 H GLU 17 7.678 -2.276 -5.844
97 HA GLU 17 HA GLU 17 10.330 -2.973 -6.569
98 HB2 GLU 17 1HB GLU 17 9.152 -1.319 -4.349
99 HB3 GLU 17 2HB GLU 17 10.881 -1.618 -4.446
100 HG2 GLU 17 1HG GLU 17 9.154 -0.186 -6.443
101 HG3 GLU 17 2HG GLU 17 10.447 0.487 -5.452
102 H CYS 18 H CYS 18 8.515 -3.495 -3.543
103 HA CYS 18 HA CYS 18 10.388 -5.673 -2.897
104 HB2 CYS 18 1HB CYS 18 9.564 -5.367 -0.542
105 HB3 CYS 18 2HB CYS 18 10.444 -3.988 -1.194
106 H GLY 19 H GLY 19 6.953 -4.760 -2.633
107 HA2 GLY 19 1HA GLY 19 5.533 -6.608 -3.731
108 HA3 GLY 19 2HA GLY 19 6.278 -7.624 -2.505
109 H LYS 20 H LYS 20 5.976 -4.701 -1.087
110 HA LYS 20 HA LYS 20 4.326 -5.240 0.920
111 HB2 LYS 20 1HB LYS 20 5.436 -2.986 0.221
112 HB3 LYS 20 2HB LYS 20 3.867 -2.631 -0.490
113 HG2 LYS 20 1HG LYS 20 3.577 -1.707 1.565
114 HG3 LYS 20 2HG LYS 20 3.009 -3.344 1.899
115 HD2 LYS 20 1HD LYS 20 5.574 -3.721 2.450
116 HD3 LYS 20 2HD LYS 20 5.511 -1.983 2.752
117 HE2 LYS 20 1HE LYS 20 5.064 -3.006 4.827
118 HE3 LYS 20 2HE LYS 20 3.503 -2.454 4.223
119 HZ1 LYS 20 3HZ LYS 20 3.914 -5.049 3.283
120 HZ2 LYS 20 1HZ LYS 20 2.761 -4.516 4.401
121 HZ3 LYS 20 2HZ LYS 20 4.272 -5.054 4.936
122 H GLY 21 H GLY 21 2.130 -5.247 1.419
123 HA2 GLY 21 1HA GLY 21 0.392 -5.775 -0.882
124 HA3 GLY 21 2HA GLY 21 0.071 -6.239 0.782
125 H PHE 22 H PHE 22 -1.712 -4.890 -1.041
126 HA PHE 22 HA PHE 22 -2.497 -2.726 0.690
127 HB2 PHE 22 1HB PHE 22 -1.970 -2.079 -2.213
128 HB3 PHE 22 2HB PHE 22 -2.464 -0.966 -0.942
129 HD1 PHE 22 HD1 PHE 22 -0.836 -0.638 1.017
130 HD2 PHE 22 HD2 PHE 22 0.273 -2.363 -2.712
131 HE1 PHE 22 HE1 PHE 22 1.525 -0.123 1.485
132 HE2 PHE 22 HE2 PHE 22 2.635 -1.852 -2.250
133 HZ PHE 22 HZ PHE 22 3.264 -0.732 -0.149
134 H TYR 23 H TYR 23 -4.655 -2.064 0.373
135 HA TYR 23 HA TYR 23 -6.258 -4.040 -1.055
136 HB2 TYR 23 1HB TYR 23 -7.021 -1.897 0.938
137 HB3 TYR 23 2HB TYR 23 -8.164 -3.004 0.186
138 HD1 TYR 23 HD1 TYR 23 -6.541 -5.516 0.256
139 HD2 TYR 23 HD2 TYR 23 -7.154 -2.505 3.200
140 HE1 TYR 23 HE1 TYR 23 -6.109 -7.168 2.027
141 HE2 TYR 23 HE2 TYR 23 -6.723 -4.149 4.979
142 HH TYR 23 HH TYR 23 -5.675 -6.257 5.323
143 H THR 24 H THR 24 -5.476 -0.636 -1.102
144 HA THR 24 HA THR 24 -7.171 -0.322 -3.495
145 HB THR 24 HB THR 24 -8.189 1.209 -2.141
146 HG1 THR 24 HG1 THR 24 -7.560 2.656 -3.605
147 HG21 THR 24 3HG2 THR 24 -7.161 2.391 -0.303
148 HG22 THR 24 1HG2 THR 24 -5.560 1.838 -0.794
149 HG23 THR 24 2HG2 THR 24 -6.746 0.681 -0.188
150 H ASN 25 H ASN 25 -6.309 0.705 -5.274
151 HA ASN 25 HA ASN 25 -3.566 0.458 -5.737
152 HB2 ASN 25 1HB ASN 25 -5.498 0.633 -7.432
153 HB3 ASN 25 2HB ASN 25 -5.320 2.376 -7.259
154 HD21 ASN 25 1HD2 ASN 25 -4.981 1.360 -9.694
155 HD22 ASN 25 2HD2 ASN 25 -3.314 1.362 -10.147
156 H SER 26 H SER 26 -5.475 3.169 -4.597
157 HA SER 26 HA SER 26 -3.641 5.237 -4.954
158 HB2 SER 26 1HB SER 26 -6.021 5.518 -4.243
159 HB3 SER 26 2HB SER 26 -5.570 4.938 -2.640
160 HG SER 26 HG SER 26 -5.510 7.174 -2.636
161 H GLN 27 H GLN 27 -4.066 3.047 -2.190
162 HA GLN 27 HA GLN 27 -2.020 4.160 -0.601
163 HB2 GLN 27 1HB GLN 27 -3.571 1.622 -0.604
164 HB3 GLN 27 2HB GLN 27 -2.084 1.661 0.334
165 HG2 GLN 27 1HG GLN 27 -4.275 2.246 1.511
166 HG3 GLN 27 2HG GLN 27 -2.883 3.295 1.773
167 HE21 GLN 27 1HE2 GLN 27 -3.874 5.182 2.187
168 HE22 GLN 27 2HE2 GLN 27 -4.917 6.005 1.083
169 H CYS 28 H CYS 28 -2.033 1.334 -2.761
170 HA CYS 28 HA CYS 28 0.509 0.395 -2.407
171 HB2 CYS 28 1HB CYS 28 -1.028 -0.739 -3.875
172 HB3 CYS 28 2HB CYS 28 -1.066 0.634 -4.975
173 HG CYS 28 HG CYS 28 1.378 0.267 -6.063
174 H TYR 29 H TYR 29 -0.498 3.143 -4.390
175 HA TYR 29 HA TYR 29 2.083 3.659 -5.468
176 HB2 TYR 29 1HB TYR 29 -0.205 4.438 -6.354
177 HB3 TYR 29 2HB TYR 29 -0.086 5.725 -5.160
178 HD1 TYR 29 HD2 TYR 29 2.353 6.922 -5.214
179 HD2 TYR 29 HD1 TYR 29 0.452 4.981 -8.490
180 HE1 TYR 29 HE2 TYR 29 3.702 8.255 -6.780
181 HE2 TYR 29 HE1 TYR 29 1.798 6.308 -10.064
182 HH TYR 29 HH TYR 29 4.452 8.268 -9.014
183 H SER 30 H SER 30 0.245 5.025 -2.762
184 HA SER 30 HA SER 30 1.832 7.101 -1.982
185 HB2 SER 30 1HB SER 30 -0.316 6.212 -0.890
186 HB3 SER 30 2HB SER 30 0.739 5.150 0.042
187 HG SER 30 HG SER 30 1.782 7.551 0.205
188 H HIS 31 H HIS 31 2.363 3.667 -1.330
189 HA HIS 31 HA HIS 31 4.799 4.192 0.141
190 HB2 HIS 31 1HB HIS 31 3.782 2.313 1.010
191 HB3 HIS 31 2HB HIS 31 3.208 1.765 -0.562
192 HD1 HIS 31 HD1 HIS 31 5.837 1.218 1.893
193 HD2 HIS 31 HD2 HIS 31 5.338 0.578 -2.181
194 HE1 HIS 31 HE1 HIS 31 7.629 -0.423 1.246
195 H GLN 32 H GLN 32 3.939 2.615 -2.933
196 HA GLN 32 HA GLN 32 6.350 1.834 -3.882
197 HB2 GLN 32 1HB GLN 32 3.925 2.948 -5.188
198 HB3 GLN 32 2HB GLN 32 5.379 2.828 -6.170
199 HG2 GLN 32 1HG GLN 32 5.521 0.431 -5.603
200 HG3 GLN 32 2HG GLN 32 4.003 0.579 -4.719
201 HE21 GLN 32 1HE2 GLN 32 5.274 -0.440 -7.517
202 HE22 GLN 32 2HE2 GLN 32 3.919 -0.238 -8.569
203 H ARG 33 H ARG 33 5.034 5.127 -4.230
204 HA ARG 33 HA ARG 33 7.179 6.284 -5.549
205 HB2 ARG 33 1HB ARG 33 6.237 8.347 -5.036
206 HB3 ARG 33 2HB ARG 33 4.859 7.260 -4.922
207 HG2 ARG 33 1HG ARG 33 4.914 7.288 -2.557
208 HG3 ARG 33 2HG ARG 33 6.491 8.082 -2.538
209 HD2 ARG 33 1HD ARG 33 5.617 10.133 -3.075
210 HD3 ARG 33 2HD ARG 33 4.228 9.441 -3.913
211 HE ARG 33 HE ARG 33 3.752 8.746 -1.366
212 HH11 ARG 33 1HH1 ARG 33 4.634 11.780 -2.828
213 HH12 ARG 33 2HH1 ARG 33 3.804 12.739 -1.648
214 HH21 ARG 33 1HH2 ARG 33 2.655 9.998 0.194
215 HH22 ARG 33 2HH2 ARG 33 2.680 11.725 0.071
216 H SER 34 H SER 34 6.720 5.669 -2.114
217 HA SER 34 HA SER 34 8.730 7.184 -1.003
218 HB2 SER 34 1HB SER 34 7.048 5.669 0.180
219 HB3 SER 34 2HB SER 34 8.173 4.347 -0.134
220 HG SER 34 HG SER 34 9.254 6.633 1.003
221 H HIS 35 H HIS 35 9.020 3.858 -2.245
222 HA HIS 35 HA HIS 35 11.569 3.200 -1.778
223 HB2 HIS 35 1HB HIS 35 9.839 2.813 -4.169
224 HB3 HIS 35 2HB HIS 35 11.544 2.402 -4.327
225 HD1 HIS 35 HD1 HIS 35 12.392 0.732 -2.257
226 HD2 HIS 35 HD2 HIS 35 8.356 0.758 -3.242
227 HE1 HIS 35 HE1 HIS 35 11.459 -1.409 -1.324
228 H SER 36 H SER 36 10.735 4.999 -4.747
229 HA SER 36 HA SER 36 13.454 5.770 -5.186
230 HB2 SER 36 1HB SER 36 12.670 6.859 -7.145
231 HB3 SER 36 2HB SER 36 11.658 5.426 -6.970
232 HG SER 36 HG SER 36 10.172 6.941 -7.244
233 H GLY 37 H GLY 37 14.301 7.911 -5.181
234 HA2 GLY 37 1HA GLY 37 13.939 10.285 -4.685
235 HA3 GLY 37 2HA GLY 37 12.837 9.773 -3.415
236 H GLU 38 H GLU 38 13.643 9.097 -1.442
237 HA GLU 38 HA GLU 38 16.448 9.808 -0.977
238 HB2 GLU 38 1HB GLU 38 15.880 10.143 1.307
239 HB3 GLU 38 2HB GLU 38 14.602 10.890 0.359
240 HG2 GLU 38 1HG GLU 38 14.402 8.129 1.529
241 HG3 GLU 38 2HG GLU 38 13.842 9.584 2.351
242 H LYS 39 H LYS 39 17.929 8.388 -0.222
243 HA LYS 39 HA LYS 39 17.042 5.714 0.585
244 HB2 LYS 39 1HB LYS 39 19.005 6.348 -1.612
245 HB3 LYS 39 2HB LYS 39 18.987 4.791 -0.795
246 HG2 LYS 39 1HG LYS 39 17.689 4.362 -2.636
247 HG3 LYS 39 2HG LYS 39 16.464 4.790 -1.438
248 HD2 LYS 39 1HD LYS 39 15.777 6.086 -3.197
249 HD3 LYS 39 2HD LYS 39 16.869 7.215 -2.393
250 HE2 LYS 39 1HE LYS 39 18.601 6.788 -3.949
251 HE3 LYS 39 2HE LYS 39 17.765 5.380 -4.602
252 HZ1 LYS 39 3HZ LYS 39 15.952 7.195 -5.119
253 HZ2 LYS 39 1HZ LYS 39 17.241 6.909 -6.177
254 HZ3 LYS 39 2HZ LYS 39 17.297 8.220 -5.111
255 HA PRO 40 HA PRO 40 20.013 6.350 3.780
256 HB2 PRO 40 1HB PRO 40 20.269 3.776 4.605
257 HB3 PRO 40 2HB PRO 40 18.848 4.763 4.964
258 HG2 PRO 40 1HG PRO 40 19.231 2.700 2.830
259 HG3 PRO 40 2HG PRO 40 17.834 2.968 3.888
260 HD2 PRO 40 1HD PRO 40 17.907 3.835 1.324
261 HD3 PRO 40 2HD PRO 40 17.034 4.705 2.602
262 H SER 41 H SER 41 22.082 5.065 4.589
263 HA SER 41 HA SER 41 23.938 5.160 2.405
264 HB2 SER 41 1HB SER 41 24.437 4.302 5.264
265 HB3 SER 41 2HB SER 41 25.651 4.800 4.086
266 HG SER 41 HG SER 41 25.216 6.810 4.515
267 H GLY 42 H GLY 42 24.611 3.534 1.170
268 HA2 GLY 42 1HA GLY 42 24.085 0.781 2.108
269 HA3 GLY 42 2HA GLY 42 23.938 1.274 0.428
270 HA PRO 43 HA PRO 43 28.276 -0.351 1.533
271 HB2 PRO 43 1HB PRO 43 28.089 -2.801 0.380
272 HB3 PRO 43 2HB PRO 43 27.682 -2.503 2.074
273 HG2 PRO 43 1HG PRO 43 25.870 -2.737 -0.297
274 HG3 PRO 43 2HG PRO 43 25.677 -3.417 1.329
275 HD2 PRO 43 1HD PRO 43 24.390 -1.174 0.526
276 HD3 PRO 43 2HD PRO 43 24.906 -1.429 2.205
277 H SER 44 H SER 44 29.262 0.978 0.077
278 HA SER 44 HA SER 44 28.730 0.785 -2.750
279 HB2 SER 44 1HB SER 44 30.536 2.477 -1.048
280 HB3 SER 44 2HB SER 44 30.747 2.437 -2.798
281 HG SER 44 HG SER 44 29.272 3.953 -2.693
282 H SER 45 H SER 45 29.551 -1.669 -1.854
283 HA SER 45 HA SER 45 32.335 -2.124 -2.097
284 HB2 SER 45 1HB SER 45 30.900 -3.731 -0.960
285 HB3 SER 45 2HB SER 45 30.002 -4.022 -2.450
286 HG SER 45 HG SER 45 31.546 -5.288 -3.132
287 H GLY 46 H GLY 46 29.647 -2.324 -4.393
288 HA2 GLY 46 1HA GLY 46 29.742 -1.985 -6.696
289 HA3 GLY 46 2HA GLY 46 31.496 -1.943 -6.592