Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505770 | 2ytt RC | 10178 | 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 -1.174 -27.285 -16.299
2 HA2 GLY 1 1HA GLY 1 -3.372 -26.584 -17.372
3 HA3 GLY 1 2HA GLY 1 -3.491 -27.056 -15.683
4 H SER 2 H SER 2 -3.256 -25.282 -14.074
5 HA SER 2 HA SER 2 -4.282 -22.732 -15.133
6 HB2 SER 2 1HB SER 2 -5.891 -22.571 -13.411
7 HB3 SER 2 2HB SER 2 -6.006 -24.240 -13.969
8 HG SER 2 HG SER 2 -5.540 -24.822 -12.017
9 H SER 3 H SER 3 -1.587 -23.190 -14.669
10 HA SER 3 HA SER 3 -1.105 -21.338 -12.450
11 HB2 SER 3 1HB SER 3 0.068 -24.069 -12.792
12 HB3 SER 3 2HB SER 3 1.067 -22.797 -12.090
13 HG SER 3 HG SER 3 -0.882 -22.470 -10.673
14 H GLY 4 H GLY 4 0.512 -19.870 -12.798
15 HA2 GLY 4 1HA GLY 4 2.713 -19.604 -14.077
16 HA3 GLY 4 2HA GLY 4 1.718 -19.936 -15.488
17 H SER 5 H SER 5 2.789 -17.764 -15.991
18 HA SER 5 HA SER 5 2.413 -15.364 -14.897
19 HB2 SER 5 1HB SER 5 2.365 -14.374 -17.082
20 HB3 SER 5 2HB SER 5 3.351 -15.832 -17.194
21 HG SER 5 HG SER 5 0.729 -15.387 -18.131
22 H SER 6 H SER 6 -0.124 -17.138 -16.624
23 HA SER 6 HA SER 6 -2.090 -15.167 -15.684
24 HB2 SER 6 1HB SER 6 -2.180 -17.207 -17.910
25 HB3 SER 6 2HB SER 6 -3.610 -16.335 -17.358
26 HG SER 6 HG SER 6 -1.984 -14.438 -17.715
27 H GLY 7 H GLY 7 -2.299 -15.913 -13.559
28 HA2 GLY 7 1HA GLY 7 -3.371 -18.645 -13.259
29 HA3 GLY 7 2HA GLY 7 -2.593 -17.724 -11.980
30 H GLU 8 H GLU 8 -4.463 -18.230 -10.684
31 HA GLU 8 HA GLU 8 -6.852 -16.668 -11.402
32 HB2 GLU 8 1HB GLU 8 -6.459 -19.170 -9.806
33 HB3 GLU 8 2HB GLU 8 -7.844 -18.141 -9.471
34 HG2 GLU 8 1HG GLU 8 -8.617 -18.373 -11.745
35 HG3 GLU 8 2HG GLU 8 -7.184 -19.309 -12.165
36 H GLY 9 H GLY 9 -6.200 -14.671 -10.617
37 HA2 GLY 9 1HA GLY 9 -6.870 -13.849 -8.140
38 HA3 GLY 9 2HA GLY 9 -5.225 -14.420 -7.901
39 H GLU 10 H GLU 10 -6.579 -12.769 -10.725
40 HA GLU 10 HA GLU 10 -4.590 -10.641 -10.309
41 HB2 GLU 10 1HB GLU 10 -4.701 -10.240 -12.710
42 HB3 GLU 10 2HB GLU 10 -4.314 -11.924 -12.386
43 HG2 GLU 10 1HG GLU 10 -5.863 -12.119 -14.062
44 HG3 GLU 10 2HG GLU 10 -6.874 -12.285 -12.628
45 H LYS 11 H LYS 11 -5.203 -8.548 -10.181
46 HA LYS 11 HA LYS 11 -8.087 -7.983 -10.398
47 HB2 LYS 11 1HB LYS 11 -6.026 -6.767 -8.552
48 HB3 LYS 11 2HB LYS 11 -7.676 -6.178 -8.717
49 HG2 LYS 11 1HG LYS 11 -7.174 -9.036 -8.009
50 HG3 LYS 11 2HG LYS 11 -7.067 -7.779 -6.774
51 HD2 LYS 11 1HD LYS 11 -9.459 -8.060 -8.574
52 HD3 LYS 11 2HD LYS 11 -9.317 -8.943 -7.052
53 HE2 LYS 11 1HE LYS 11 -8.895 -5.985 -7.099
54 HE3 LYS 11 2HE LYS 11 -10.535 -6.633 -7.130
55 HZ1 LYS 11 3HZ LYS 11 -10.425 -6.998 -4.963
56 HZ2 LYS 11 1HZ LYS 11 -8.894 -6.278 -4.919
57 HZ3 LYS 11 2HZ LYS 11 -9.036 -7.949 -5.138
58 HA PRO 12 HA PRO 12 -7.194 -4.981 -13.482
59 HB2 PRO 12 1HB PRO 12 -9.273 -3.278 -13.102
60 HB3 PRO 12 2HB PRO 12 -9.461 -4.874 -13.838
61 HG2 PRO 12 1HG PRO 12 -9.995 -4.013 -11.022
62 HG3 PRO 12 2HG PRO 12 -10.963 -5.062 -12.073
63 HD2 PRO 12 1HD PRO 12 -9.329 -6.038 -10.147
64 HD3 PRO 12 2HD PRO 12 -9.638 -6.904 -11.665
65 H TYR 13 H TYR 13 -7.193 -4.241 -10.152
66 HA TYR 13 HA TYR 13 -5.825 -1.692 -10.704
67 HB2 TYR 13 1HB TYR 13 -7.620 -2.288 -8.343
68 HB3 TYR 13 2HB TYR 13 -6.753 -0.783 -8.626
69 HD1 TYR 13 HD2 TYR 13 -7.304 0.445 -10.861
70 HD2 TYR 13 HD1 TYR 13 -9.809 -2.501 -9.086
71 HE1 TYR 13 HE2 TYR 13 -9.220 1.315 -12.134
72 HE2 TYR 13 HE1 TYR 13 -11.732 -1.640 -10.355
73 HH TYR 13 HH TYR 13 -12.330 0.706 -11.424
74 H GLN 14 H GLN 14 -4.464 -4.091 -10.556
75 HA GLN 14 HA GLN 14 -3.344 -4.236 -7.860
76 HB2 GLN 14 1HB GLN 14 -3.940 -6.339 -9.006
77 HB3 GLN 14 2HB GLN 14 -2.795 -5.957 -10.285
78 HG2 GLN 14 1HG GLN 14 -1.020 -5.903 -8.471
79 HG3 GLN 14 2HG GLN 14 -2.226 -6.650 -7.424
80 HE21 GLN 14 1HE2 GLN 14 0.223 -7.829 -8.095
81 HE22 GLN 14 2HE2 GLN 14 -0.094 -9.250 -9.025
82 H CYS 15 H CYS 15 -1.521 -3.237 -7.332
83 HA CYS 15 HA CYS 15 -0.157 -1.464 -8.938
84 HB2 CYS 15 1HB CYS 15 -0.013 -1.667 -6.428
85 HB3 CYS 15 2HB CYS 15 1.105 -3.006 -6.666
86 H SER 16 H SER 16 1.934 -1.514 -9.916
87 HA SER 16 HA SER 16 2.677 -4.192 -10.898
88 HB2 SER 16 1HB SER 16 1.763 -2.574 -12.601
89 HB3 SER 16 2HB SER 16 3.174 -1.559 -12.302
90 HG SER 16 HG SER 16 4.395 -3.576 -12.814
91 H GLU 17 H GLU 17 3.863 -1.109 -9.698
92 HA GLU 17 HA GLU 17 6.597 -1.463 -10.029
93 HB2 GLU 17 1HB GLU 17 5.994 0.662 -9.312
94 HB3 GLU 17 2HB GLU 17 4.933 0.048 -8.052
95 HG2 GLU 17 1HG GLU 17 6.638 -0.258 -6.565
96 HG3 GLU 17 2HG GLU 17 7.847 -0.484 -7.828
97 H CYS 18 H CYS 18 4.603 -2.316 -7.202
98 HA CYS 18 HA CYS 18 6.748 -4.153 -6.360
99 HB2 CYS 18 1HB CYS 18 6.079 -3.835 -4.085
100 HB3 CYS 18 2HB CYS 18 6.239 -2.238 -4.808
101 H GLY 19 H GLY 19 3.242 -3.718 -6.605
102 HA2 GLY 19 1HA GLY 19 1.865 -5.493 -7.467
103 HA3 GLY 19 2HA GLY 19 2.990 -6.648 -6.767
104 H LYS 20 H LYS 20 0.229 -4.645 -6.223
105 HA LYS 20 HA LYS 20 -0.419 -6.138 -3.839
106 HB2 LYS 20 1HB LYS 20 1.044 -3.998 -3.289
107 HB3 LYS 20 2HB LYS 20 -0.500 -3.177 -3.477
108 HG2 LYS 20 1HG LYS 20 -0.579 -3.599 -1.251
109 HG3 LYS 20 2HG LYS 20 -1.306 -5.095 -1.842
110 HD2 LYS 20 1HD LYS 20 1.652 -4.993 -1.550
111 HD3 LYS 20 2HD LYS 20 0.676 -5.104 -0.084
112 HE2 LYS 20 1HE LYS 20 -0.508 -7.053 -1.207
113 HE3 LYS 20 2HE LYS 20 0.788 -7.018 -2.402
114 HZ1 LYS 20 3HZ LYS 20 2.082 -8.139 -1.021
115 HZ2 LYS 20 1HZ LYS 20 0.801 -8.264 0.078
116 HZ3 LYS 20 2HZ LYS 20 1.890 -6.975 0.191
117 H SER 21 H SER 21 -2.465 -6.688 -4.144
118 HA SER 21 HA SER 21 -4.181 -5.169 -5.892
119 HB2 SER 21 1HB SER 21 -4.525 -7.727 -4.336
120 HB3 SER 21 2HB SER 21 -5.869 -6.977 -5.196
121 HG SER 21 HG SER 21 -4.255 -7.001 -7.040
122 H PHE 22 H PHE 22 -6.376 -4.526 -5.250
123 HA PHE 22 HA PHE 22 -6.886 -4.067 -2.446
124 HB2 PHE 22 1HB PHE 22 -6.394 -1.745 -4.321
125 HB3 PHE 22 2HB PHE 22 -7.106 -1.598 -2.717
126 HD1 PHE 22 HD2 PHE 22 -5.712 -2.412 -0.734
127 HD2 PHE 22 HD1 PHE 22 -4.092 -1.682 -4.601
128 HE1 PHE 22 HE2 PHE 22 -3.463 -2.226 0.247
129 HE2 PHE 22 HE1 PHE 22 -1.840 -1.496 -3.627
130 HZ PHE 22 HZ PHE 22 -1.524 -1.767 -1.200
131 H SER 23 H SER 23 -9.034 -3.608 -2.006
132 HA SER 23 HA SER 23 -10.883 -4.298 -4.100
133 HB2 SER 23 1HB SER 23 -11.158 -5.101 -1.762
134 HB3 SER 23 2HB SER 23 -11.457 -3.440 -1.253
135 HG SER 23 HG SER 23 -13.419 -4.471 -1.610
136 H GLY 24 H GLY 24 -10.446 -2.456 -5.493
137 HA2 GLY 24 1HA GLY 24 -12.019 -0.673 -6.214
138 HA3 GLY 24 2HA GLY 24 -11.868 -0.028 -4.586
139 H SER 25 H SER 25 -11.272 1.134 -7.273
140 HA SER 25 HA SER 25 -8.508 1.354 -7.675
141 HB2 SER 25 1HB SER 25 -10.440 2.095 -9.213
142 HB3 SER 25 2HB SER 25 -10.440 3.587 -8.274
143 HG SER 25 HG SER 25 -8.938 3.082 -10.308
144 H TYR 26 H TYR 26 -10.712 3.655 -6.069
145 HA TYR 26 HA TYR 26 -9.031 5.585 -5.230
146 HB2 TYR 26 1HB TYR 26 -11.551 5.145 -4.671
147 HB3 TYR 26 2HB TYR 26 -10.908 4.435 -3.195
148 HD1 TYR 26 HD2 TYR 26 -8.833 6.096 -2.282
149 HD2 TYR 26 HD1 TYR 26 -12.384 7.259 -4.317
150 HE1 TYR 26 HE2 TYR 26 -8.671 8.334 -1.273
151 HE2 TYR 26 HE1 TYR 26 -12.232 9.500 -3.315
152 HH TYR 26 HH TYR 26 -10.668 10.271 -0.764
153 H ARG 27 H ARG 27 -9.504 2.485 -3.551
154 HA ARG 27 HA ARG 27 -7.787 2.881 -1.415
155 HB2 ARG 27 1HB ARG 27 -8.723 0.465 -2.902
156 HB3 ARG 27 2HB ARG 27 -7.434 0.280 -1.720
157 HG2 ARG 27 1HG ARG 27 -9.038 1.544 -0.132
158 HG3 ARG 27 2HG ARG 27 -10.278 1.087 -1.301
159 HD2 ARG 27 1HD ARG 27 -9.281 -1.292 -1.053
160 HD3 ARG 27 2HD ARG 27 -8.573 -0.659 0.433
161 HE ARG 27 HE ARG 27 -11.334 -1.303 -0.036
162 HH11 ARG 27 1HH1 ARG 27 -9.123 0.608 1.856
163 HH12 ARG 27 2HH1 ARG 27 -10.211 0.781 3.193
164 HH21 ARG 27 1HH2 ARG 27 -12.776 -1.082 1.717
165 HH22 ARG 27 2HH2 ARG 27 -12.289 -0.182 3.113
166 H LEU 28 H LEU 28 -7.025 1.440 -4.582
167 HA LEU 28 HA LEU 28 -4.412 0.790 -4.309
168 HB2 LEU 28 1HB LEU 28 -5.745 0.561 -6.379
169 HB3 LEU 28 2HB LEU 28 -5.554 2.290 -6.662
170 HG LEU 28 HG LEU 28 -3.081 1.906 -6.796
171 HD11 LEU 28 1HD1 LEU 28 -2.461 -0.496 -7.347
172 HD12 LEU 28 2HD1 LEU 28 -3.989 -0.950 -6.594
173 HD13 LEU 28 3HD1 LEU 28 -2.754 -0.118 -5.649
174 HD21 LEU 28 3HD2 LEU 28 -5.132 1.047 -8.703
175 HD22 LEU 28 1HD2 LEU 28 -3.528 0.379 -9.008
176 HD23 LEU 28 2HD2 LEU 28 -3.754 2.127 -8.923
177 H THR 29 H THR 29 -5.528 4.035 -5.285
178 HA THR 29 HA THR 29 -3.242 5.427 -5.504
179 HB THR 29 HB THR 29 -5.606 6.418 -3.898
180 HG1 THR 29 HG1 THR 29 -6.417 7.084 -5.894
181 HG21 THR 29 3HG2 THR 29 -3.593 7.968 -5.527
182 HG22 THR 29 1HG2 THR 29 -3.542 7.808 -3.772
183 HG23 THR 29 2HG2 THR 29 -4.899 8.628 -4.543
184 H GLN 30 H GLN 30 -4.906 5.234 -2.350
185 HA GLN 30 HA GLN 30 -3.111 6.341 -0.694
186 HB2 GLN 30 1HB GLN 30 -4.787 3.877 -0.322
187 HB3 GLN 30 2HB GLN 30 -3.746 4.455 0.972
188 HG2 GLN 30 1HG GLN 30 -4.922 6.702 0.670
189 HG3 GLN 30 2HG GLN 30 -6.116 5.804 -0.266
190 HE21 GLN 30 1HE2 GLN 30 -7.452 6.730 1.536
191 HE22 GLN 30 2HE2 GLN 30 -7.631 5.763 2.956
192 H HIS 31 H HIS 31 -2.907 2.999 -1.881
193 HA HIS 31 HA HIS 31 -0.503 2.367 -0.529
194 HB2 HIS 31 1HB HIS 31 -1.655 0.478 -1.215
195 HB3 HIS 31 2HB HIS 31 -2.039 1.157 -2.794
196 HD1 HIS 31 HD1 HIS 31 1.080 -0.006 -0.941
197 HD2 HIS 31 HD2 HIS 31 -0.534 0.097 -4.768
198 HE1 HIS 31 HE1 HIS 31 2.734 -1.214 -2.402
199 H TRP 32 H TRP 32 -1.114 3.229 -3.933
200 HA TRP 32 HA TRP 32 1.414 3.182 -4.945
201 HB2 TRP 32 1HB TRP 32 -0.976 4.867 -5.501
202 HB3 TRP 32 2HB TRP 32 0.553 5.364 -6.221
203 HD1 TRP 32 HD1 TRP 32 -0.935 1.794 -5.850
204 HE1 TRP 32 HE1 TRP 32 -0.985 0.715 -8.186
205 HE3 TRP 32 HE3 TRP 32 0.797 5.739 -8.603
206 HZ2 TRP 32 HZ2 TRP 32 -0.370 1.440 -10.844
207 HZ3 TRP 32 HZ3 TRP 32 1.037 5.463 -11.036
208 HH2 TRP 32 HH2 TRP 32 0.466 3.357 -12.131
209 H ILE 33 H ILE 33 0.195 5.307 -2.535
210 HA ILE 33 HA ILE 33 1.800 7.547 -2.789
211 HB ILE 33 HB ILE 33 0.949 6.197 -0.224
212 HG12 ILE 33 1HG1 ILE 33 -0.838 6.887 -1.925
213 HG13 ILE 33 2HG1 ILE 33 -1.007 7.516 -0.289
214 HG21 ILE 33 1HG2 ILE 33 1.793 9.053 -0.694
215 HG22 ILE 33 2HG2 ILE 33 1.287 8.344 0.839
216 HG23 ILE 33 3HG2 ILE 33 2.785 7.814 0.075
217 HD11 ILE 33 3HD1 ILE 33 -1.452 9.161 -2.105
218 HD12 ILE 33 1HD1 ILE 33 -0.213 9.655 -0.952
219 HD13 ILE 33 2HD1 ILE 33 0.252 9.053 -2.543
220 H THR 34 H THR 34 2.514 4.528 -1.046
221 HA THR 34 HA THR 34 4.966 5.128 0.024
222 HB THR 34 HB THR 34 3.686 2.956 0.269
223 HG1 THR 34 HG1 THR 34 5.873 1.750 0.184
224 HG21 THR 34 3HG2 THR 34 3.405 2.435 -2.097
225 HG22 THR 34 1HG2 THR 34 4.287 1.143 -1.283
226 HG23 THR 34 2HG2 THR 34 5.152 2.303 -2.291
227 H HIS 35 H HIS 35 4.144 4.864 -3.289
228 HA HIS 35 HA HIS 35 6.911 4.489 -4.135
229 HB2 HIS 35 1HB HIS 35 4.402 4.813 -5.795
230 HB3 HIS 35 2HB HIS 35 5.996 4.381 -6.406
231 HD1 HIS 35 HD1 HIS 35 6.828 2.177 -4.516
232 HD2 HIS 35 HD2 HIS 35 2.974 2.527 -6.028
233 HE1 HIS 35 HE1 HIS 35 5.833 -0.127 -4.360
234 H THR 36 H THR 36 5.774 6.954 -2.777
235 HA THR 36 HA THR 36 6.640 8.903 -4.814
236 HB THR 36 HB THR 36 4.641 9.377 -2.595
237 HG1 THR 36 HG1 THR 36 4.031 9.569 -5.332
238 HG21 THR 36 3HG2 THR 36 6.108 11.319 -3.284
239 HG22 THR 36 1HG2 THR 36 4.373 11.572 -3.460
240 HG23 THR 36 2HG2 THR 36 5.358 11.209 -4.876
241 H ARG 37 H ARG 37 6.399 8.328 -1.309
242 HA ARG 37 HA ARG 37 8.281 10.360 -0.636
243 HB2 ARG 37 1HB ARG 37 8.109 9.555 1.610
244 HB3 ARG 37 2HB ARG 37 6.504 9.474 0.897
245 HG2 ARG 37 1HG ARG 37 7.022 7.034 0.399
246 HG3 ARG 37 2HG ARG 37 8.395 7.225 1.491
247 HD2 ARG 37 1HD ARG 37 5.722 8.129 2.424
248 HD3 ARG 37 2HD ARG 37 6.030 6.395 2.345
249 HE ARG 37 HE ARG 37 7.518 6.597 4.097
250 HH11 ARG 37 1HH1 ARG 37 6.559 9.747 2.966
251 HH12 ARG 37 2HH1 ARG 37 7.251 10.586 4.314
252 HH21 ARG 37 1HH2 ARG 37 8.433 7.690 5.878
253 HH22 ARG 37 2HH2 ARG 37 8.317 9.415 5.970
254 H GLU 38 H GLU 38 8.468 6.836 -0.963
255 HA GLU 38 HA GLU 38 10.965 6.285 -0.040
256 HB2 GLU 38 1HB GLU 38 9.654 5.224 -2.547
257 HB3 GLU 38 2HB GLU 38 11.096 4.527 -1.822
258 HG2 GLU 38 1HG GLU 38 8.663 4.867 -0.144
259 HG3 GLU 38 2HG GLU 38 8.721 3.553 -1.317
260 H LYS 39 H LYS 39 12.902 7.115 -0.402
261 HA LYS 39 HA LYS 39 13.482 8.234 -3.067
262 HB2 LYS 39 1HB LYS 39 13.364 10.039 -1.485
263 HB3 LYS 39 2HB LYS 39 14.389 9.177 -0.345
264 HG2 LYS 39 1HG LYS 39 15.906 10.624 -1.230
265 HG3 LYS 39 2HG LYS 39 16.108 9.263 -2.336
266 HD2 LYS 39 1HD LYS 39 14.811 10.310 -4.012
267 HD3 LYS 39 2HD LYS 39 14.202 11.526 -2.886
268 HE2 LYS 39 1HE LYS 39 17.068 11.245 -3.785
269 HE3 LYS 39 2HE LYS 39 15.916 12.431 -4.398
270 HZ1 LYS 39 3HZ LYS 39 17.182 13.531 -2.776
271 HZ2 LYS 39 1HZ LYS 39 17.068 12.250 -1.677
272 HZ3 LYS 39 2HZ LYS 39 15.707 13.194 -2.021
273 HA PRO 40 HA PRO 40 16.411 4.738 -2.383
274 HB2 PRO 40 1HB PRO 40 16.371 3.918 -4.971
275 HB3 PRO 40 2HB PRO 40 15.173 3.398 -3.780
276 HG2 PRO 40 1HG PRO 40 14.967 5.536 -5.864
277 HG3 PRO 40 2HG PRO 40 13.771 4.316 -5.391
278 HD2 PRO 40 1HD PRO 40 13.655 6.881 -4.530
279 HD3 PRO 40 2HD PRO 40 13.092 5.516 -3.544
280 H SER 41 H SER 41 18.577 4.610 -2.945
281 HA SER 41 HA SER 41 19.909 6.958 -3.610
282 HB2 SER 41 1HB SER 41 21.921 5.531 -3.876
283 HB3 SER 41 2HB SER 41 21.013 5.140 -2.415
284 HG SER 41 HG SER 41 21.642 3.272 -3.603
285 H GLY 42 H GLY 42 19.502 4.053 -5.647
286 HA2 GLY 42 1HA GLY 42 18.944 5.535 -7.994
287 HA3 GLY 42 2HA GLY 42 20.642 5.085 -7.970
288 HA PRO 43 HA PRO 43 19.608 1.211 -9.743
289 HB2 PRO 43 1HB PRO 43 21.616 -0.338 -8.774
290 HB3 PRO 43 2HB PRO 43 21.865 0.883 -10.027
291 HG2 PRO 43 1HG PRO 43 22.393 1.053 -7.085
292 HG3 PRO 43 2HG PRO 43 23.393 1.617 -8.436
293 HD2 PRO 43 1HD PRO 43 21.825 3.284 -6.989
294 HD3 PRO 43 2HD PRO 43 22.155 3.541 -8.714
295 H SER 44 H SER 44 17.643 0.769 -8.662
296 HA SER 44 HA SER 44 17.910 -1.056 -6.363
297 HB2 SER 44 1HB SER 44 15.800 1.020 -6.947
298 HB3 SER 44 2HB SER 44 15.539 -0.288 -5.793
299 HG SER 44 HG SER 44 16.406 1.162 -4.500
300 H SER 45 H SER 45 15.680 -0.181 -9.005
301 HA SER 45 HA SER 45 14.250 -2.594 -9.006
302 HB2 SER 45 1HB SER 45 14.644 -0.390 -10.998
303 HB3 SER 45 2HB SER 45 13.825 -1.870 -11.499
304 HG SER 45 HG SER 45 13.063 -0.013 -9.514
305 H GLY 46 H GLY 46 14.198 -3.951 -11.169
306 HA2 GLY 46 1HA GLY 46 15.516 -5.008 -12.882
307 HA3 GLY 46 2HA GLY 46 16.957 -4.615 -11.956
Start of MODEL 2
1 H1 GLY 1 H GLY 1 7.434 -29.077 -9.413
2 HA2 GLY 1 1HA GLY 1 5.061 -28.832 -10.276
3 HA3 GLY 1 2HA GLY 1 5.793 -27.332 -9.724
4 H SER 2 H SER 2 3.716 -27.901 -11.786
5 HA SER 2 HA SER 2 5.080 -26.796 -14.148
6 HB2 SER 2 1HB SER 2 3.154 -27.595 -15.449
7 HB3 SER 2 2HB SER 2 3.895 -28.916 -14.547
8 HG SER 2 HG SER 2 1.774 -27.486 -13.396
9 H SER 3 H SER 3 4.712 -24.753 -14.698
10 HA SER 3 HA SER 3 2.939 -23.127 -13.141
11 HB2 SER 3 1HB SER 3 4.997 -22.127 -13.841
12 HB3 SER 3 2HB SER 3 4.696 -22.537 -15.529
13 HG SER 3 HG SER 3 4.122 -20.434 -15.341
14 H GLY 4 H GLY 4 0.813 -23.522 -13.472
15 HA2 GLY 4 1HA GLY 4 -0.176 -23.134 -16.227
16 HA3 GLY 4 2HA GLY 4 -0.820 -24.404 -15.197
17 H SER 5 H SER 5 -2.324 -23.916 -13.648
18 HA SER 5 HA SER 5 -4.119 -21.923 -13.996
19 HB2 SER 5 1HB SER 5 -4.538 -23.749 -12.451
20 HB3 SER 5 2HB SER 5 -3.287 -23.155 -11.358
21 HG SER 5 HG SER 5 -5.654 -21.754 -12.066
22 H SER 6 H SER 6 -4.230 -19.789 -13.710
23 HA SER 6 HA SER 6 -1.919 -18.421 -12.586
24 HB2 SER 6 1HB SER 6 -2.951 -16.383 -13.538
25 HB3 SER 6 2HB SER 6 -2.754 -17.650 -14.749
26 HG SER 6 HG SER 6 -4.814 -17.485 -15.066
27 H GLY 7 H GLY 7 -2.092 -18.589 -10.380
28 HA2 GLY 7 1HA GLY 7 -2.972 -18.305 -8.262
29 HA3 GLY 7 2HA GLY 7 -3.390 -16.722 -8.901
30 H GLU 8 H GLU 8 -5.280 -16.553 -7.701
31 HA GLU 8 HA GLU 8 -7.396 -18.489 -8.367
32 HB2 GLU 8 1HB GLU 8 -6.735 -18.171 -5.936
33 HB3 GLU 8 2HB GLU 8 -7.409 -16.552 -6.055
34 HG2 GLU 8 1HG GLU 8 -8.960 -19.067 -6.615
35 HG3 GLU 8 2HG GLU 8 -8.937 -18.239 -5.059
36 H GLY 9 H GLY 9 -6.961 -15.019 -7.647
37 HA2 GLY 9 1HA GLY 9 -8.592 -14.314 -9.932
38 HA3 GLY 9 2HA GLY 9 -9.331 -13.958 -8.378
39 H GLU 10 H GLU 10 -7.388 -12.766 -10.811
40 HA GLU 10 HA GLU 10 -5.946 -10.901 -9.088
41 HB2 GLU 10 1HB GLU 10 -4.845 -10.177 -11.189
42 HB3 GLU 10 2HB GLU 10 -4.652 -11.895 -10.869
43 HG2 GLU 10 1HG GLU 10 -6.460 -12.378 -12.457
44 HG3 GLU 10 2HG GLU 10 -6.597 -10.655 -12.803
45 H LYS 11 H LYS 11 -6.823 -9.022 -8.568
46 HA LYS 11 HA LYS 11 -9.219 -8.054 -9.735
47 HB2 LYS 11 1HB LYS 11 -7.304 -7.096 -7.670
48 HB3 LYS 11 2HB LYS 11 -8.373 -5.902 -8.395
49 HG2 LYS 11 1HG LYS 11 -9.411 -6.696 -6.412
50 HG3 LYS 11 2HG LYS 11 -10.299 -7.368 -7.782
51 HD2 LYS 11 1HD LYS 11 -10.077 -9.218 -6.422
52 HD3 LYS 11 2HD LYS 11 -8.673 -9.389 -7.478
53 HE2 LYS 11 1HE LYS 11 -7.339 -8.186 -5.720
54 HE3 LYS 11 2HE LYS 11 -8.743 -8.317 -4.663
55 HZ1 LYS 11 3HZ LYS 11 -8.624 -10.756 -4.978
56 HZ2 LYS 11 1HZ LYS 11 -7.268 -10.113 -4.198
57 HZ3 LYS 11 2HZ LYS 11 -7.176 -10.551 -5.829
58 HA PRO 12 HA PRO 12 -7.857 -5.518 -13.046
59 HB2 PRO 12 1HB PRO 12 -9.471 -3.346 -12.821
60 HB3 PRO 12 2HB PRO 12 -10.053 -4.923 -13.369
61 HG2 PRO 12 1HG PRO 12 -10.248 -3.669 -10.658
62 HG3 PRO 12 2HG PRO 12 -11.477 -4.569 -11.566
63 HD2 PRO 12 1HD PRO 12 -10.026 -5.690 -9.573
64 HD3 PRO 12 2HD PRO 12 -10.594 -6.615 -10.978
65 H TYR 13 H TYR 13 -7.595 -4.401 -9.817
66 HA TYR 13 HA TYR 13 -5.800 -2.228 -10.677
67 HB2 TYR 13 1HB TYR 13 -7.293 -2.465 -8.057
68 HB3 TYR 13 2HB TYR 13 -6.273 -1.120 -8.555
69 HD1 TYR 13 HD2 TYR 13 -7.027 -0.294 -11.095
70 HD2 TYR 13 HD1 TYR 13 -9.539 -1.981 -8.104
71 HE1 TYR 13 HE2 TYR 13 -8.975 0.809 -12.116
72 HE2 TYR 13 HE1 TYR 13 -11.493 -0.884 -9.117
73 HH TYR 13 HH TYR 13 -12.232 0.424 -10.746
74 H GLN 14 H GLN 14 -3.991 -3.594 -10.835
75 HA GLN 14 HA GLN 14 -3.029 -4.690 -8.276
76 HB2 GLN 14 1HB GLN 14 -3.300 -6.435 -9.918
77 HB3 GLN 14 2HB GLN 14 -2.397 -5.513 -11.113
78 HG2 GLN 14 1HG GLN 14 -0.388 -5.703 -9.702
79 HG3 GLN 14 2HG GLN 14 -1.305 -6.696 -8.571
80 HE21 GLN 14 1HE2 GLN 14 0.251 -6.555 -11.655
81 HE22 GLN 14 2HE2 GLN 14 0.162 -8.243 -12.013
82 H CYS 15 H CYS 15 -1.665 -3.309 -7.350
83 HA CYS 15 HA CYS 15 -0.305 -1.222 -8.562
84 HB2 CYS 15 1HB CYS 15 -0.642 -1.471 -6.114
85 HB3 CYS 15 2HB CYS 15 0.568 -2.750 -6.100
86 H SER 16 H SER 16 0.934 -1.552 -10.318
87 HA SER 16 HA SER 16 2.588 -3.824 -10.705
88 HB2 SER 16 1HB SER 16 1.601 -2.242 -12.482
89 HB3 SER 16 2HB SER 16 2.968 -1.188 -12.116
90 HG SER 16 HG SER 16 4.261 -3.190 -12.512
91 H GLU 17 H GLU 17 3.204 -0.529 -9.589
92 HA GLU 17 HA GLU 17 5.861 -0.240 -9.584
93 HB2 GLU 17 1HB GLU 17 4.125 0.210 -7.150
94 HB3 GLU 17 2HB GLU 17 5.705 0.929 -7.424
95 HG2 GLU 17 1HG GLU 17 3.588 1.349 -9.465
96 HG3 GLU 17 2HG GLU 17 3.486 2.236 -7.945
97 H CYS 18 H CYS 18 4.208 -1.978 -6.940
98 HA CYS 18 HA CYS 18 6.729 -3.413 -6.433
99 HB2 CYS 18 1HB CYS 18 5.880 -3.798 -4.157
100 HB3 CYS 18 2HB CYS 18 5.959 -2.079 -4.531
101 H GLY 19 H GLY 19 3.199 -3.834 -6.529
102 HA2 GLY 19 1HA GLY 19 2.454 -5.760 -7.925
103 HA3 GLY 19 2HA GLY 19 3.668 -6.701 -7.072
104 H LYS 20 H LYS 20 0.837 -4.648 -6.394
105 HA LYS 20 HA LYS 20 0.090 -6.569 -4.287
106 HB2 LYS 20 1HB LYS 20 -0.247 -3.571 -4.366
107 HB3 LYS 20 2HB LYS 20 -1.101 -4.598 -3.223
108 HG2 LYS 20 1HG LYS 20 1.861 -4.812 -3.401
109 HG3 LYS 20 2HG LYS 20 1.150 -3.423 -2.575
110 HD2 LYS 20 1HD LYS 20 -0.158 -4.995 -1.168
111 HD3 LYS 20 2HD LYS 20 0.690 -6.337 -1.939
112 HE2 LYS 20 1HE LYS 20 2.001 -6.069 -0.091
113 HE3 LYS 20 2HE LYS 20 2.815 -4.957 -1.190
114 HZ1 LYS 20 3HZ LYS 20 1.559 -3.135 -0.211
115 HZ2 LYS 20 1HZ LYS 20 2.459 -3.948 0.969
116 HZ3 LYS 20 2HZ LYS 20 0.791 -4.206 0.850
117 H SER 21 H SER 21 -2.307 -6.501 -3.794
118 HA SER 21 HA SER 21 -3.869 -6.066 -6.252
119 HB2 SER 21 1HB SER 21 -5.036 -8.135 -5.944
120 HB3 SER 21 2HB SER 21 -3.314 -8.497 -5.836
121 HG SER 21 HG SER 21 -4.759 -9.414 -4.162
122 H PHE 22 H PHE 22 -5.584 -4.811 -5.969
123 HA PHE 22 HA PHE 22 -6.842 -4.694 -3.316
124 HB2 PHE 22 1HB PHE 22 -6.163 -2.310 -5.051
125 HB3 PHE 22 2HB PHE 22 -7.098 -2.247 -3.561
126 HD1 PHE 22 HD2 PHE 22 -6.015 -2.670 -1.399
127 HD2 PHE 22 HD1 PHE 22 -3.789 -2.504 -5.024
128 HE1 PHE 22 HE2 PHE 22 -3.938 -2.402 -0.108
129 HE2 PHE 22 HE1 PHE 22 -1.708 -2.237 -3.738
130 HZ PHE 22 HZ PHE 22 -1.781 -2.185 -1.277
131 H SER 23 H SER 23 -9.058 -4.135 -3.306
132 HA SER 23 HA SER 23 -10.443 -4.954 -5.712
133 HB2 SER 23 1HB SER 23 -11.375 -4.295 -2.915
134 HB3 SER 23 2HB SER 23 -12.490 -4.682 -4.225
135 HG SER 23 HG SER 23 -11.552 -6.708 -4.388
136 H GLY 24 H GLY 24 -10.280 -2.069 -3.648
137 HA2 GLY 24 1HA GLY 24 -11.904 -0.583 -5.575
138 HA3 GLY 24 2HA GLY 24 -11.412 -0.023 -3.983
139 H SER 25 H SER 25 -11.218 1.246 -6.659
140 HA SER 25 HA SER 25 -8.479 1.274 -7.433
141 HB2 SER 25 1HB SER 25 -10.257 1.887 -9.004
142 HB3 SER 25 2HB SER 25 -10.682 3.274 -8.001
143 HG SER 25 HG SER 25 -8.234 3.700 -8.376
144 H TYR 26 H TYR 26 -10.498 3.662 -5.721
145 HA TYR 26 HA TYR 26 -8.721 5.634 -5.196
146 HB2 TYR 26 1HB TYR 26 -11.120 5.498 -4.420
147 HB3 TYR 26 2HB TYR 26 -10.556 4.525 -3.067
148 HD1 TYR 26 HD2 TYR 26 -8.544 5.635 -1.715
149 HD2 TYR 26 HD1 TYR 26 -11.360 7.767 -4.087
150 HE1 TYR 26 HE2 TYR 26 -8.059 7.681 -0.439
151 HE2 TYR 26 HE1 TYR 26 -10.882 9.820 -2.819
152 HH TYR 26 HH TYR 26 -8.283 9.972 -0.481
153 H ARG 27 H ARG 27 -9.097 2.696 -3.217
154 HA ARG 27 HA ARG 27 -7.160 3.188 -1.316
155 HB2 ARG 27 1HB ARG 27 -8.740 1.261 -1.318
156 HB3 ARG 27 2HB ARG 27 -7.760 0.502 -2.566
157 HG2 ARG 27 1HG ARG 27 -6.989 -0.530 -0.665
158 HG3 ARG 27 2HG ARG 27 -5.829 0.787 -0.851
159 HD2 ARG 27 1HD ARG 27 -7.588 2.065 0.653
160 HD3 ARG 27 2HD ARG 27 -7.999 0.424 1.151
161 HE ARG 27 HE ARG 27 -5.182 1.031 1.246
162 HH11 ARG 27 1HH1 ARG 27 -8.204 1.063 2.973
163 HH12 ARG 27 2HH1 ARG 27 -7.460 1.055 4.538
164 HH21 ARG 27 1HH2 ARG 27 -4.190 1.021 3.300
165 HH22 ARG 27 2HH2 ARG 27 -5.177 1.032 4.722
166 H LEU 28 H LEU 28 -6.763 1.715 -4.518
167 HA LEU 28 HA LEU 28 -4.113 0.982 -4.410
168 HB2 LEU 28 1HB LEU 28 -5.709 0.601 -6.296
169 HB3 LEU 28 2HB LEU 28 -5.445 2.274 -6.784
170 HG LEU 28 HG LEU 28 -2.913 1.461 -6.812
171 HD11 LEU 28 1HD1 LEU 28 -4.229 -0.926 -6.282
172 HD12 LEU 28 2HD1 LEU 28 -2.564 -0.732 -6.827
173 HD13 LEU 28 3HD1 LEU 28 -3.851 -0.997 -8.003
174 HD21 LEU 28 3HD2 LEU 28 -3.619 2.371 -8.779
175 HD22 LEU 28 1HD2 LEU 28 -5.076 1.379 -8.845
176 HD23 LEU 28 2HD2 LEU 28 -3.514 0.679 -9.269
177 H THR 29 H THR 29 -5.319 4.095 -5.675
178 HA THR 29 HA THR 29 -2.959 5.389 -6.116
179 HB THR 29 HB THR 29 -5.352 6.721 -4.838
180 HG1 THR 29 HG1 THR 29 -5.691 7.088 -7.286
181 HG21 THR 29 3HG2 THR 29 -3.152 7.986 -5.126
182 HG22 THR 29 1HG2 THR 29 -4.593 8.720 -5.828
183 HG23 THR 29 2HG2 THR 29 -3.445 7.870 -6.861
184 H GLN 30 H GLN 30 -4.788 5.591 -3.055
185 HA GLN 30 HA GLN 30 -3.035 7.050 -1.552
186 HB2 GLN 30 1HB GLN 30 -4.734 4.705 -0.693
187 HB3 GLN 30 2HB GLN 30 -3.919 5.786 0.430
188 HG2 GLN 30 1HG GLN 30 -6.105 6.481 -1.514
189 HG3 GLN 30 2HG GLN 30 -6.195 6.464 0.247
190 HE21 GLN 30 1HE2 GLN 30 -4.536 7.927 1.317
191 HE22 GLN 30 2HE2 GLN 30 -4.342 9.496 0.622
192 H HIS 31 H HIS 31 -3.050 3.493 -1.804
193 HA HIS 31 HA HIS 31 -0.792 3.006 -0.252
194 HB2 HIS 31 1HB HIS 31 -1.998 1.088 -0.746
195 HB3 HIS 31 2HB HIS 31 -2.169 1.508 -2.447
196 HD1 HIS 31 HD1 HIS 31 0.199 -0.084 -0.025
197 HD2 HIS 31 HD2 HIS 31 -0.085 0.663 -4.102
198 HE1 HIS 31 HE1 HIS 31 2.024 -1.449 -1.087
199 H TRP 32 H TRP 32 -1.031 3.457 -3.771
200 HA TRP 32 HA TRP 32 1.549 3.051 -4.549
201 HB2 TRP 32 1HB TRP 32 -0.563 4.951 -5.482
202 HB3 TRP 32 2HB TRP 32 1.056 5.078 -6.163
203 HD1 TRP 32 HD1 TRP 32 -1.065 1.913 -5.394
204 HE1 TRP 32 HE1 TRP 32 -1.188 0.507 -7.547
205 HE3 TRP 32 HE3 TRP 32 1.506 5.018 -8.539
206 HZ2 TRP 32 HZ2 TRP 32 -0.311 0.690 -10.224
207 HZ3 TRP 32 HZ3 TRP 32 1.820 4.328 -10.880
208 HH2 TRP 32 HH2 TRP 32 0.931 2.209 -11.702
209 H ILE 33 H ILE 33 0.227 6.063 -3.205
210 HA ILE 33 HA ILE 33 2.300 7.785 -3.385
211 HB ILE 33 HB ILE 33 0.640 7.330 -0.903
212 HG12 ILE 33 1HG1 ILE 33 0.237 9.390 -3.072
213 HG13 ILE 33 2HG1 ILE 33 -0.548 7.814 -3.105
214 HG21 ILE 33 1HG2 ILE 33 1.669 9.044 0.075
215 HG22 ILE 33 2HG2 ILE 33 2.888 8.933 -1.193
216 HG23 ILE 33 3HG2 ILE 33 1.528 10.041 -1.373
217 HD11 ILE 33 3HD1 ILE 33 -2.187 9.013 -2.112
218 HD12 ILE 33 1HD1 ILE 33 -1.280 8.558 -0.669
219 HD13 ILE 33 2HD1 ILE 33 -1.063 10.158 -1.379
220 H THR 34 H THR 34 2.064 5.070 -1.147
221 HA THR 34 HA THR 34 4.112 5.512 0.592
222 HB THR 34 HB THR 34 4.440 3.092 0.740
223 HG1 THR 34 HG1 THR 34 3.366 1.736 -0.763
224 HG21 THR 34 3HG2 THR 34 1.803 4.368 0.754
225 HG22 THR 34 1HG2 THR 34 2.580 3.361 1.975
226 HG23 THR 34 2HG2 THR 34 1.748 2.611 0.612
227 H HIS 35 H HIS 35 4.413 4.195 -2.693
228 HA HIS 35 HA HIS 35 7.217 3.846 -2.610
229 HB2 HIS 35 1HB HIS 35 5.501 4.317 -5.054
230 HB3 HIS 35 2HB HIS 35 7.085 3.547 -5.009
231 HD1 HIS 35 HD1 HIS 35 6.956 1.358 -3.136
232 HD2 HIS 35 HD2 HIS 35 3.593 2.441 -5.321
233 HE1 HIS 35 HE1 HIS 35 5.467 -0.668 -3.126
234 H THR 36 H THR 36 5.157 6.527 -3.601
235 HA THR 36 HA THR 36 7.511 8.273 -3.563
236 HB THR 36 HB THR 36 6.596 9.500 -5.562
237 HG1 THR 36 HG1 THR 36 5.134 7.096 -5.997
238 HG21 THR 36 3HG2 THR 36 7.459 7.841 -7.212
239 HG22 THR 36 1HG2 THR 36 7.520 6.648 -5.916
240 HG23 THR 36 2HG2 THR 36 8.528 8.093 -5.833
241 H ARG 37 H ARG 37 7.156 9.900 -2.215
242 HA ARG 37 HA ARG 37 4.383 10.815 -1.816
243 HB2 ARG 37 1HB ARG 37 6.682 10.653 0.132
244 HB3 ARG 37 2HB ARG 37 5.218 11.572 0.455
245 HG2 ARG 37 1HG ARG 37 3.940 9.708 0.748
246 HG3 ARG 37 2HG ARG 37 4.930 8.726 -0.334
247 HD2 ARG 37 1HD ARG 37 6.463 8.229 1.296
248 HD3 ARG 37 2HD ARG 37 6.146 9.712 2.195
249 HE ARG 37 HE ARG 37 4.756 7.191 2.442
250 HH11 ARG 37 1HH1 ARG 37 4.696 10.615 3.065
251 HH12 ARG 37 2HH1 ARG 37 3.548 10.492 4.357
252 HH21 ARG 37 1HH2 ARG 37 3.243 7.016 4.140
253 HH22 ARG 37 2HH2 ARG 37 2.722 8.444 4.968
254 H GLU 38 H GLU 38 7.733 11.977 -1.395
255 HA GLU 38 HA GLU 38 6.836 14.606 -2.379
256 HB2 GLU 38 1HB GLU 38 7.592 14.749 -0.089
257 HB3 GLU 38 2HB GLU 38 9.081 13.902 -0.484
258 HG2 GLU 38 1HG GLU 38 9.293 16.378 -0.196
259 HG3 GLU 38 2HG GLU 38 9.911 15.738 -1.717
260 H LYS 39 H LYS 39 9.676 12.459 -2.297
261 HA LYS 39 HA LYS 39 10.731 13.759 -4.688
262 HB2 LYS 39 1HB LYS 39 11.868 11.755 -2.747
263 HB3 LYS 39 2HB LYS 39 12.673 12.141 -4.262
264 HG2 LYS 39 1HG LYS 39 13.033 14.381 -3.613
265 HG3 LYS 39 2HG LYS 39 11.932 14.236 -2.241
266 HD2 LYS 39 1HD LYS 39 14.092 14.130 -1.313
267 HD3 LYS 39 2HD LYS 39 13.524 12.459 -1.353
268 HE2 LYS 39 1HE LYS 39 14.834 11.987 -3.292
269 HE3 LYS 39 2HE LYS 39 15.238 13.689 -3.503
270 HZ1 LYS 39 3HZ LYS 39 17.079 12.512 -2.522
271 HZ2 LYS 39 1HZ LYS 39 16.105 11.949 -1.259
272 HZ3 LYS 39 2HZ LYS 39 16.447 13.600 -1.391
273 HA PRO 40 HA PRO 40 9.332 10.665 -7.479
274 HB2 PRO 40 1HB PRO 40 11.277 10.813 -9.368
275 HB3 PRO 40 2HB PRO 40 10.040 12.059 -9.163
276 HG2 PRO 40 1HG PRO 40 12.869 12.020 -8.185
277 HG3 PRO 40 2HG PRO 40 11.959 13.350 -8.925
278 HD2 PRO 40 1HD PRO 40 12.344 13.158 -6.251
279 HD3 PRO 40 2HD PRO 40 10.881 13.874 -6.956
280 H SER 41 H SER 41 10.482 8.855 -8.947
281 HA SER 41 HA SER 41 11.193 6.774 -7.315
282 HB2 SER 41 1HB SER 41 11.866 5.582 -9.269
283 HB3 SER 41 2HB SER 41 10.581 6.678 -9.779
284 HG SER 41 HG SER 41 12.386 8.144 -10.350
285 H GLY 42 H GLY 42 13.172 5.705 -6.838
286 HA2 GLY 42 1HA GLY 42 15.501 7.525 -6.853
287 HA3 GLY 42 2HA GLY 42 15.142 6.416 -5.538
288 HA PRO 43 HA PRO 43 17.713 3.366 -7.345
289 HB2 PRO 43 1HB PRO 43 16.414 1.073 -6.689
290 HB3 PRO 43 2HB PRO 43 17.281 2.059 -5.505
291 HG2 PRO 43 1HG PRO 43 14.349 1.957 -6.103
292 HG3 PRO 43 2HG PRO 43 15.169 2.019 -4.532
293 HD2 PRO 43 1HD PRO 43 14.061 4.205 -5.684
294 HD3 PRO 43 2HD PRO 43 15.505 4.296 -4.656
295 H SER 44 H SER 44 14.252 2.938 -8.021
296 HA SER 44 HA SER 44 14.708 1.334 -10.352
297 HB2 SER 44 1HB SER 44 12.603 1.458 -8.796
298 HB3 SER 44 2HB SER 44 12.134 2.792 -9.850
299 HG SER 44 HG SER 44 12.779 1.030 -11.540
300 H SER 45 H SER 45 15.856 2.333 -11.921
301 HA SER 45 HA SER 45 15.659 5.057 -12.607
302 HB2 SER 45 1HB SER 45 16.819 2.635 -13.941
303 HB3 SER 45 2HB SER 45 16.710 4.152 -14.833
304 HG SER 45 HG SER 45 18.540 3.438 -13.069
305 H GLY 46 H GLY 46 14.503 6.141 -14.148
306 HA2 GLY 46 1HA GLY 46 13.202 5.938 -16.264
307 HA3 GLY 46 2HA GLY 46 12.382 4.585 -15.498
Start of MODEL 3
1 H1 GLY 1 H GLY 1 5.764 -30.752 -0.278
2 HA2 GLY 1 1HA GLY 1 3.977 -29.315 -0.399
3 HA3 GLY 1 2HA GLY 1 4.945 -28.261 0.621
4 H SER 2 H SER 2 4.250 -29.136 -2.727
5 HA SER 2 HA SER 2 5.503 -26.665 -3.658
6 HB2 SER 2 1HB SER 2 5.941 -28.824 -4.847
7 HB3 SER 2 2HB SER 2 4.237 -28.872 -5.298
8 HG SER 2 HG SER 2 4.615 -27.455 -6.801
9 H SER 3 H SER 3 4.032 -25.127 -2.918
10 HA SER 3 HA SER 3 1.635 -24.887 -4.554
11 HB2 SER 3 1HB SER 3 1.631 -25.151 -1.565
12 HB3 SER 3 2HB SER 3 0.407 -24.160 -2.359
13 HG SER 3 HG SER 3 0.855 -26.704 -3.397
14 H GLY 4 H GLY 4 0.900 -22.761 -4.804
15 HA2 GLY 4 1HA GLY 4 1.978 -20.573 -3.326
16 HA3 GLY 4 2HA GLY 4 2.789 -20.750 -4.874
17 H SER 5 H SER 5 0.985 -21.264 -6.683
18 HA SER 5 HA SER 5 -0.413 -18.834 -7.009
19 HB2 SER 5 1HB SER 5 -0.582 -21.461 -8.494
20 HB3 SER 5 2HB SER 5 -1.457 -20.012 -8.988
21 HG SER 5 HG SER 5 0.880 -19.103 -8.750
22 H SER 6 H SER 6 -1.868 -18.458 -5.378
23 HA SER 6 HA SER 6 -4.159 -20.308 -5.243
24 HB2 SER 6 1HB SER 6 -2.795 -20.266 -3.154
25 HB3 SER 6 2HB SER 6 -3.140 -18.543 -3.005
26 HG SER 6 HG SER 6 -5.465 -19.492 -3.265
27 H GLY 7 H GLY 7 -6.125 -19.481 -5.637
28 HA2 GLY 7 1HA GLY 7 -7.754 -17.717 -5.446
29 HA3 GLY 7 2HA GLY 7 -6.445 -16.553 -5.583
30 H GLU 8 H GLU 8 -8.798 -18.375 -7.251
31 HA GLU 8 HA GLU 8 -7.612 -18.000 -9.866
32 HB2 GLU 8 1HB GLU 8 -10.352 -19.019 -9.091
33 HB3 GLU 8 2HB GLU 8 -9.660 -19.068 -10.706
34 HG2 GLU 8 1HG GLU 8 -7.976 -20.615 -10.012
35 HG3 GLU 8 2HG GLU 8 -8.457 -20.454 -8.324
36 H GLY 9 H GLY 9 -7.494 -15.847 -10.331
37 HA2 GLY 9 1HA GLY 9 -9.237 -14.408 -11.640
38 HA3 GLY 9 2HA GLY 9 -9.917 -14.220 -10.031
39 H GLU 10 H GLU 10 -8.132 -12.674 -12.234
40 HA GLU 10 HA GLU 10 -6.316 -11.434 -10.285
41 HB2 GLU 10 1HB GLU 10 -6.330 -11.242 -13.303
42 HB3 GLU 10 2HB GLU 10 -5.146 -10.500 -12.236
43 HG2 GLU 10 1HG GLU 10 -4.070 -12.404 -12.980
44 HG3 GLU 10 2HG GLU 10 -4.700 -12.890 -11.407
45 H LYS 11 H LYS 11 -6.742 -9.478 -9.512
46 HA LYS 11 HA LYS 11 -9.096 -8.067 -10.305
47 HB2 LYS 11 1HB LYS 11 -6.881 -7.489 -8.351
48 HB3 LYS 11 2HB LYS 11 -8.153 -6.318 -8.672
49 HG2 LYS 11 1HG LYS 11 -9.781 -8.202 -8.090
50 HG3 LYS 11 2HG LYS 11 -8.375 -9.029 -7.414
51 HD2 LYS 11 1HD LYS 11 -7.962 -7.127 -5.936
52 HD3 LYS 11 2HD LYS 11 -9.352 -6.283 -6.624
53 HE2 LYS 11 1HE LYS 11 -10.156 -7.218 -4.634
54 HE3 LYS 11 2HE LYS 11 -10.720 -8.312 -5.895
55 HZ1 LYS 11 3HZ LYS 11 -8.920 -9.810 -5.388
56 HZ2 LYS 11 1HZ LYS 11 -9.796 -9.490 -3.977
57 HZ3 LYS 11 2HZ LYS 11 -8.300 -8.744 -4.230
58 HA PRO 12 HA PRO 12 -7.432 -5.461 -13.437
59 HB2 PRO 12 1HB PRO 12 -9.199 -3.406 -13.279
60 HB3 PRO 12 2HB PRO 12 -9.610 -4.975 -13.982
61 HG2 PRO 12 1HG PRO 12 -10.196 -3.915 -11.245
62 HG3 PRO 12 2HG PRO 12 -11.252 -4.824 -12.342
63 HD2 PRO 12 1HD PRO 12 -9.968 -5.986 -10.260
64 HD3 PRO 12 2HD PRO 12 -10.309 -6.849 -11.774
65 H TYR 13 H TYR 13 -7.339 -4.743 -10.164
66 HA TYR 13 HA TYR 13 -5.718 -2.335 -10.668
67 HB2 TYR 13 1HB TYR 13 -7.415 -2.883 -8.225
68 HB3 TYR 13 2HB TYR 13 -6.442 -1.445 -8.513
69 HD1 TYR 13 HD2 TYR 13 -7.038 -0.070 -10.643
70 HD2 TYR 13 HD1 TYR 13 -9.657 -2.894 -8.835
71 HE1 TYR 13 HE2 TYR 13 -8.953 1.009 -11.745
72 HE2 TYR 13 HE1 TYR 13 -11.579 -1.823 -9.933
73 HH TYR 13 HH TYR 13 -11.515 -0.047 -12.430
74 H GLN 14 H GLN 14 -3.820 -3.586 -10.773
75 HA GLN 14 HA GLN 14 -2.934 -4.622 -8.163
76 HB2 GLN 14 1HB GLN 14 -3.277 -6.521 -9.599
77 HB3 GLN 14 2HB GLN 14 -2.388 -5.755 -10.908
78 HG2 GLN 14 1HG GLN 14 -0.990 -6.214 -8.328
79 HG3 GLN 14 2HG GLN 14 -1.290 -7.592 -9.385
80 HE21 GLN 14 1HE2 GLN 14 -0.481 -7.463 -11.576
81 HE22 GLN 14 2HE2 GLN 14 0.955 -6.557 -11.897
82 H CYS 15 H CYS 15 -1.474 -3.255 -7.386
83 HA CYS 15 HA CYS 15 -0.034 -1.382 -8.900
84 HB2 CYS 15 1HB CYS 15 -0.494 -1.199 -6.458
85 HB3 CYS 15 2HB CYS 15 0.687 -2.474 -6.173
86 H SER 16 H SER 16 1.375 -1.926 -10.435
87 HA SER 16 HA SER 16 2.864 -4.340 -10.446
88 HB2 SER 16 1HB SER 16 2.160 -2.758 -12.419
89 HB3 SER 16 2HB SER 16 3.691 -1.957 -12.068
90 HG SER 16 HG SER 16 4.507 -4.280 -12.163
91 H GLU 17 H GLU 17 3.675 -0.990 -9.645
92 HA GLU 17 HA GLU 17 6.344 -0.948 -9.403
93 HB2 GLU 17 1HB GLU 17 4.452 0.003 -7.244
94 HB3 GLU 17 2HB GLU 17 6.112 0.538 -7.464
95 HG2 GLU 17 1HG GLU 17 3.726 1.085 -9.186
96 HG3 GLU 17 2HG GLU 17 4.805 2.231 -8.393
97 H CYS 18 H CYS 18 4.228 -2.227 -6.832
98 HA CYS 18 HA CYS 18 6.546 -3.695 -5.768
99 HB2 CYS 18 1HB CYS 18 5.152 -3.875 -3.676
100 HB3 CYS 18 2HB CYS 18 5.644 -2.239 -4.101
101 H GLY 19 H GLY 19 3.042 -4.032 -6.323
102 HA2 GLY 19 1HA GLY 19 2.390 -6.036 -7.640
103 HA3 GLY 19 2HA GLY 19 3.491 -6.940 -6.611
104 H LYS 20 H LYS 20 1.200 -4.435 -5.626
105 HA LYS 20 HA LYS 20 -0.205 -6.478 -4.032
106 HB2 LYS 20 1HB LYS 20 0.675 -3.707 -3.402
107 HB3 LYS 20 2HB LYS 20 -0.852 -4.246 -2.717
108 HG2 LYS 20 1HG LYS 20 0.787 -4.697 -1.093
109 HG3 LYS 20 2HG LYS 20 0.397 -6.253 -1.830
110 HD2 LYS 20 1HD LYS 20 2.423 -6.406 -2.900
111 HD3 LYS 20 2HD LYS 20 2.644 -4.656 -2.962
112 HE2 LYS 20 1HE LYS 20 4.179 -5.215 -1.355
113 HE3 LYS 20 2HE LYS 20 2.765 -4.903 -0.350
114 HZ1 LYS 20 3HZ LYS 20 2.316 -7.350 -0.489
115 HZ2 LYS 20 1HZ LYS 20 3.699 -6.923 0.387
116 HZ3 LYS 20 2HZ LYS 20 3.848 -7.532 -1.184
117 H SER 21 H SER 21 -2.310 -6.758 -4.401
118 HA SER 21 HA SER 21 -3.660 -4.848 -6.179
119 HB2 SER 21 1HB SER 21 -5.274 -6.730 -6.571
120 HB3 SER 21 2HB SER 21 -3.623 -7.085 -7.080
121 HG SER 21 HG SER 21 -4.836 -8.714 -5.755
122 H PHE 22 H PHE 22 -6.002 -4.520 -5.802
123 HA PHE 22 HA PHE 22 -6.949 -4.932 -3.092
124 HB2 PHE 22 1HB PHE 22 -6.700 -2.128 -4.196
125 HB3 PHE 22 2HB PHE 22 -7.340 -2.586 -2.622
126 HD1 PHE 22 HD2 PHE 22 -5.763 -3.691 -0.969
127 HD2 PHE 22 HD1 PHE 22 -4.429 -1.702 -4.487
128 HE1 PHE 22 HE2 PHE 22 -3.514 -3.483 0.006
129 HE2 PHE 22 HE1 PHE 22 -2.177 -1.491 -3.519
130 HZ PHE 22 HZ PHE 22 -1.718 -2.381 -1.269
131 H SER 23 H SER 23 -9.212 -4.113 -2.830
132 HA SER 23 HA SER 23 -10.676 -4.553 -5.334
133 HB2 SER 23 1HB SER 23 -11.054 -5.979 -3.216
134 HB3 SER 23 2HB SER 23 -11.900 -4.568 -2.582
135 HG SER 23 HG SER 23 -12.721 -6.400 -4.414
136 H GLY 24 H GLY 24 -9.602 -2.053 -5.161
137 HA2 GLY 24 1HA GLY 24 -11.814 -0.383 -5.549
138 HA3 GLY 24 2HA GLY 24 -11.221 -0.109 -3.918
139 H SER 25 H SER 25 -11.177 1.282 -6.753
140 HA SER 25 HA SER 25 -8.580 1.678 -7.586
141 HB2 SER 25 1HB SER 25 -9.365 3.922 -8.385
142 HB3 SER 25 2HB SER 25 -10.426 2.590 -8.846
143 HG SER 25 HG SER 25 -11.915 3.258 -7.424
144 H TYR 26 H TYR 26 -10.357 3.792 -5.324
145 HA TYR 26 HA TYR 26 -8.391 5.523 -4.599
146 HB2 TYR 26 1HB TYR 26 -10.707 5.615 -3.750
147 HB3 TYR 26 2HB TYR 26 -10.370 4.243 -2.701
148 HD1 TYR 26 HD2 TYR 26 -8.785 4.501 -0.804
149 HD2 TYR 26 HD1 TYR 26 -10.028 7.822 -3.156
150 HE1 TYR 26 HE2 TYR 26 -8.005 6.032 0.956
151 HE2 TYR 26 HE1 TYR 26 -9.251 9.362 -1.403
152 HH TYR 26 HH TYR 26 -8.453 8.339 1.720
153 H ARG 27 H ARG 27 -9.047 2.455 -2.896
154 HA ARG 27 HA ARG 27 -7.084 2.407 -1.044
155 HB2 ARG 27 1HB ARG 27 -8.260 0.256 -2.750
156 HB3 ARG 27 2HB ARG 27 -6.892 -0.141 -1.719
157 HG2 ARG 27 1HG ARG 27 -9.397 1.165 -0.692
158 HG3 ARG 27 2HG ARG 27 -9.165 -0.583 -0.747
159 HD2 ARG 27 1HD ARG 27 -7.353 1.354 0.688
160 HD3 ARG 27 2HD ARG 27 -8.630 0.413 1.458
161 HE ARG 27 HE ARG 27 -6.769 -1.210 0.008
162 HH11 ARG 27 1HH1 ARG 27 -7.354 0.429 3.024
163 HH12 ARG 27 2HH1 ARG 27 -6.316 -0.613 3.941
164 HH21 ARG 27 1HH2 ARG 27 -5.400 -2.587 1.204
165 HH22 ARG 27 2HH2 ARG 27 -5.205 -2.327 2.905
166 H LEU 28 H LEU 28 -6.669 1.642 -4.479
167 HA LEU 28 HA LEU 28 -3.952 0.914 -4.336
168 HB2 LEU 28 1HB LEU 28 -5.483 0.443 -6.237
169 HB3 LEU 28 2HB LEU 28 -5.408 2.149 -6.669
170 HG LEU 28 HG LEU 28 -2.800 1.613 -6.731
171 HD11 LEU 28 1HD1 LEU 28 -3.861 -0.966 -7.791
172 HD12 LEU 28 2HD1 LEU 28 -3.481 -0.818 -6.075
173 HD13 LEU 28 3HD1 LEU 28 -2.225 -0.544 -7.283
174 HD21 LEU 28 3HD2 LEU 28 -3.224 2.286 -8.801
175 HD22 LEU 28 1HD2 LEU 28 -4.922 1.841 -8.627
176 HD23 LEU 28 2HD2 LEU 28 -3.754 0.653 -9.207
177 H THR 29 H THR 29 -5.485 3.999 -5.234
178 HA THR 29 HA THR 29 -3.182 5.473 -5.716
179 HB THR 29 HB THR 29 -5.667 6.601 -4.425
180 HG1 THR 29 HG1 THR 29 -5.182 5.688 -7.048
181 HG21 THR 29 3HG2 THR 29 -4.492 8.183 -6.512
182 HG22 THR 29 1HG2 THR 29 -3.266 7.775 -5.311
183 HG23 THR 29 2HG2 THR 29 -4.748 8.593 -4.816
184 H GLN 30 H GLN 30 -5.108 5.602 -2.712
185 HA GLN 30 HA GLN 30 -3.433 7.074 -1.148
186 HB2 GLN 30 1HB GLN 30 -4.402 5.940 0.797
187 HB3 GLN 30 2HB GLN 30 -5.633 6.315 -0.401
188 HG2 GLN 30 1HG GLN 30 -6.002 4.128 -0.917
189 HG3 GLN 30 2HG GLN 30 -4.362 3.636 -0.499
190 HE21 GLN 30 1HE2 GLN 30 -7.566 3.738 0.492
191 HE22 GLN 30 2HE2 GLN 30 -7.341 3.264 2.138
192 H HIS 31 H HIS 31 -2.941 3.842 -2.267
193 HA HIS 31 HA HIS 31 -0.799 3.313 -0.377
194 HB2 HIS 31 1HB HIS 31 -1.908 1.333 -0.801
195 HB3 HIS 31 2HB HIS 31 -2.211 1.740 -2.487
196 HD1 HIS 31 HD1 HIS 31 0.325 0.189 -0.235
197 HD2 HIS 31 HD2 HIS 31 -0.146 1.065 -4.269
198 HE1 HIS 31 HE1 HIS 31 2.152 -1.073 -1.415
199 H TRP 32 H TRP 32 -1.212 4.003 -3.815
200 HA TRP 32 HA TRP 32 1.360 3.591 -4.730
201 HB2 TRP 32 1HB TRP 32 -0.882 5.371 -5.543
202 HB3 TRP 32 2HB TRP 32 0.706 5.709 -6.227
203 HD1 TRP 32 HD1 TRP 32 -0.993 2.270 -5.623
204 HE1 TRP 32 HE1 TRP 32 -1.024 1.002 -7.863
205 HE3 TRP 32 HE3 TRP 32 1.032 5.878 -8.625
206 HZ2 TRP 32 HZ2 TRP 32 -0.286 1.470 -10.547
207 HZ3 TRP 32 HZ3 TRP 32 1.337 5.388 -11.017
208 HH2 TRP 32 HH2 TRP 32 0.691 3.229 -11.956
209 H ILE 33 H ILE 33 0.207 6.003 -2.571
210 HA ILE 33 HA ILE 33 2.047 8.062 -2.970
211 HB ILE 33 HB ILE 33 0.936 7.191 -0.301
212 HG12 ILE 33 1HG1 ILE 33 -0.878 7.438 -1.920
213 HG13 ILE 33 2HG1 ILE 33 -0.909 8.762 -0.761
214 HG21 ILE 33 1HG2 ILE 33 2.712 9.250 -1.025
215 HG22 ILE 33 2HG2 ILE 33 1.165 10.017 -0.669
216 HG23 ILE 33 3HG2 ILE 33 1.936 8.987 0.536
217 HD11 ILE 33 3HD1 ILE 33 0.077 10.251 -2.371
218 HD12 ILE 33 1HD1 ILE 33 0.271 8.930 -3.523
219 HD13 ILE 33 2HD1 ILE 33 -1.344 9.478 -3.073
220 H THR 34 H THR 34 2.422 4.946 -1.485
221 HA THR 34 HA THR 34 4.711 5.431 0.070
222 HB THR 34 HB THR 34 5.124 2.997 -0.079
223 HG1 THR 34 HG1 THR 34 2.794 2.691 -1.621
224 HG21 THR 34 3HG2 THR 34 2.232 3.759 0.348
225 HG22 THR 34 1HG2 THR 34 3.516 3.821 1.554
226 HG23 THR 34 2HG2 THR 34 2.988 2.267 0.909
227 H HIS 35 H HIS 35 4.287 4.866 -3.349
228 HA HIS 35 HA HIS 35 7.164 4.615 -3.768
229 HB2 HIS 35 1HB HIS 35 5.103 4.672 -5.956
230 HB3 HIS 35 2HB HIS 35 6.682 3.890 -5.947
231 HD1 HIS 35 HD1 HIS 35 6.766 1.888 -3.950
232 HD2 HIS 35 HD2 HIS 35 3.114 2.881 -5.663
233 HE1 HIS 35 HE1 HIS 35 5.261 -0.079 -3.512
234 H THR 36 H THR 36 5.663 7.126 -2.926
235 HA THR 36 HA THR 36 6.716 8.872 -5.055
236 HB THR 36 HB THR 36 4.376 9.530 -3.259
237 HG1 THR 36 HG1 THR 36 3.170 9.219 -5.257
238 HG21 THR 36 3HG2 THR 36 4.435 11.587 -4.134
239 HG22 THR 36 1HG2 THR 36 4.620 10.962 -5.772
240 HG23 THR 36 2HG2 THR 36 6.038 11.182 -4.746
241 H ARG 37 H ARG 37 5.694 9.033 -1.636
242 HA ARG 37 HA ARG 37 7.139 11.220 -0.840
243 HB2 ARG 37 1HB ARG 37 7.118 10.257 1.430
244 HB3 ARG 37 2HB ARG 37 5.559 10.105 0.630
245 HG2 ARG 37 1HG ARG 37 6.097 7.764 0.083
246 HG3 ARG 37 2HG ARG 37 7.616 7.932 0.967
247 HD2 ARG 37 1HD ARG 37 6.158 8.654 2.947
248 HD3 ARG 37 2HD ARG 37 4.808 7.994 2.026
249 HE ARG 37 HE ARG 37 6.792 6.046 2.115
250 HH11 ARG 37 1HH1 ARG 37 4.687 7.732 4.316
251 HH12 ARG 37 2HH1 ARG 37 4.608 6.423 5.449
252 HH21 ARG 37 1HH2 ARG 37 6.697 4.316 3.598
253 HH22 ARG 37 2HH2 ARG 37 5.753 4.481 5.040
254 H GLU 38 H GLU 38 8.262 7.859 -1.012
255 HA GLU 38 HA GLU 38 10.995 8.799 -1.277
256 HB2 GLU 38 1HB GLU 38 9.973 7.325 1.100
257 HB3 GLU 38 2HB GLU 38 11.562 6.890 0.489
258 HG2 GLU 38 1HG GLU 38 10.719 9.668 1.281
259 HG3 GLU 38 2HG GLU 38 11.644 8.559 2.292
260 H LYS 39 H LYS 39 11.751 7.771 -2.993
261 HA LYS 39 HA LYS 39 10.703 5.810 -4.474
262 HB2 LYS 39 1HB LYS 39 13.621 6.215 -3.818
263 HB3 LYS 39 2HB LYS 39 13.066 5.114 -5.072
264 HG2 LYS 39 1HG LYS 39 12.372 6.815 -6.452
265 HG3 LYS 39 2HG LYS 39 12.164 7.955 -5.120
266 HD2 LYS 39 1HD LYS 39 14.888 6.917 -5.797
267 HD3 LYS 39 2HD LYS 39 14.178 8.225 -6.747
268 HE2 LYS 39 1HE LYS 39 15.301 9.419 -5.141
269 HE3 LYS 39 2HE LYS 39 13.712 9.270 -4.391
270 HZ1 LYS 39 3HZ LYS 39 16.072 8.558 -3.255
271 HZ2 LYS 39 1HZ LYS 39 15.450 7.073 -3.776
272 HZ3 LYS 39 2HZ LYS 39 14.542 8.054 -2.739
273 HA PRO 40 HA PRO 40 10.503 2.082 -2.143
274 HB2 PRO 40 1HB PRO 40 10.428 0.296 -4.185
275 HB3 PRO 40 2HB PRO 40 9.056 1.325 -3.759
276 HG2 PRO 40 1HG PRO 40 11.087 1.680 -5.929
277 HG3 PRO 40 2HG PRO 40 9.331 1.921 -5.990
278 HD2 PRO 40 1HD PRO 40 11.075 3.976 -5.733
279 HD3 PRO 40 2HD PRO 40 9.456 4.001 -5.005
280 H SER 41 H SER 41 11.593 -0.106 -2.016
281 HA SER 41 HA SER 41 14.322 -0.142 -3.048
282 HB2 SER 41 1HB SER 41 14.589 0.992 -0.922
283 HB3 SER 41 2HB SER 41 13.648 -0.252 -0.099
284 HG SER 41 HG SER 41 15.986 -0.912 -1.529
285 H GLY 42 H GLY 42 15.307 -2.212 -3.008
286 HA2 GLY 42 1HA GLY 42 14.155 -4.512 -1.869
287 HA3 GLY 42 2HA GLY 42 13.574 -4.357 -3.521
288 HA PRO 43 HA PRO 43 17.479 -6.788 -3.711
289 HB2 PRO 43 1HB PRO 43 16.576 -8.497 -5.618
290 HB3 PRO 43 2HB PRO 43 16.282 -8.741 -3.892
291 HG2 PRO 43 1HG PRO 43 14.469 -7.591 -5.977
292 HG3 PRO 43 2HG PRO 43 14.094 -8.739 -4.678
293 HD2 PRO 43 1HD PRO 43 13.517 -6.099 -4.501
294 HD3 PRO 43 2HD PRO 43 13.945 -7.080 -3.085
295 H SER 44 H SER 44 15.387 -5.860 -6.445
296 HA SER 44 HA SER 44 15.842 -4.940 -8.475
297 HB2 SER 44 1HB SER 44 16.756 -3.119 -7.078
298 HB3 SER 44 2HB SER 44 18.328 -3.917 -7.079
299 HG SER 44 HG SER 44 18.226 -2.305 -8.680
300 H SER 45 H SER 45 16.531 -7.605 -8.219
301 HA SER 45 HA SER 45 18.746 -7.775 -10.127
302 HB2 SER 45 1HB SER 45 18.495 -9.517 -7.663
303 HB3 SER 45 2HB SER 45 19.677 -9.739 -8.953
304 HG SER 45 HG SER 45 20.071 -7.324 -8.333
305 H GLY 46 H GLY 46 18.787 -9.834 -11.308
306 HA2 GLY 46 1HA GLY 46 16.646 -11.689 -11.145
307 HA3 GLY 46 2HA GLY 46 16.319 -10.500 -12.396
Start of MODEL 4
1 H1 GLY 1 H GLY 1 12.866 -14.311 -11.088
2 HA2 GLY 1 1HA GLY 1 12.062 -15.122 -8.976
3 HA3 GLY 1 2HA GLY 1 11.052 -13.743 -9.384
4 H SER 2 H SER 2 10.083 -15.607 -7.667
5 HA SER 2 HA SER 2 8.616 -17.687 -8.924
6 HB2 SER 2 1HB SER 2 8.168 -16.353 -6.243
7 HB3 SER 2 2HB SER 2 7.432 -17.868 -6.765
8 HG SER 2 HG SER 2 9.288 -18.244 -5.503
9 H SER 3 H SER 3 6.290 -17.843 -9.096
10 HA SER 3 HA SER 3 5.158 -15.444 -10.233
11 HB2 SER 3 1HB SER 3 3.331 -16.865 -10.952
12 HB3 SER 3 2HB SER 3 4.854 -17.694 -11.271
13 HG SER 3 HG SER 3 4.397 -19.146 -9.782
14 H GLY 4 H GLY 4 3.072 -14.585 -9.637
15 HA2 GLY 4 1HA GLY 4 2.297 -15.139 -6.847
16 HA3 GLY 4 2HA GLY 4 2.567 -13.487 -7.381
17 H SER 5 H SER 5 0.417 -16.199 -7.416
18 HA SER 5 HA SER 5 -1.597 -14.544 -8.794
19 HB2 SER 5 1HB SER 5 -1.457 -17.568 -8.754
20 HB3 SER 5 2HB SER 5 -2.620 -16.583 -9.640
21 HG SER 5 HG SER 5 0.162 -16.327 -10.055
22 H SER 6 H SER 6 -2.200 -13.650 -6.752
23 HA SER 6 HA SER 6 -3.536 -15.523 -4.921
24 HB2 SER 6 1HB SER 6 -1.715 -13.757 -4.197
25 HB3 SER 6 2HB SER 6 -3.083 -12.645 -4.232
26 HG SER 6 HG SER 6 -3.682 -13.453 -2.400
27 H GLY 7 H GLY 7 -5.605 -14.898 -4.013
28 HA2 GLY 7 1HA GLY 7 -7.630 -13.682 -4.034
29 HA3 GLY 7 2HA GLY 7 -7.109 -12.887 -5.513
30 H GLU 8 H GLU 8 -9.043 -13.303 -6.587
31 HA GLU 8 HA GLU 8 -9.830 -16.089 -6.960
32 HB2 GLU 8 1HB GLU 8 -11.431 -14.085 -6.496
33 HB3 GLU 8 2HB GLU 8 -11.231 -13.750 -8.210
34 HG2 GLU 8 1HG GLU 8 -12.098 -15.930 -8.777
35 HG3 GLU 8 2HG GLU 8 -12.206 -16.359 -7.071
36 H GLY 9 H GLY 9 -8.814 -13.274 -8.864
37 HA2 GLY 9 1HA GLY 9 -7.413 -14.834 -10.756
38 HA3 GLY 9 2HA GLY 9 -8.991 -14.415 -11.408
39 H GLU 10 H GLU 10 -8.905 -12.727 -12.715
40 HA GLU 10 HA GLU 10 -6.706 -10.911 -12.725
41 HB2 GLU 10 1HB GLU 10 -8.287 -11.679 -14.670
42 HB3 GLU 10 2HB GLU 10 -9.285 -10.335 -14.134
43 HG2 GLU 10 1HG GLU 10 -6.398 -9.847 -14.637
44 HG3 GLU 10 2HG GLU 10 -7.481 -10.037 -16.015
45 H LYS 11 H LYS 11 -6.433 -9.190 -11.486
46 HA LYS 11 HA LYS 11 -8.683 -8.142 -9.956
47 HB2 LYS 11 1HB LYS 11 -5.701 -7.734 -9.795
48 HB3 LYS 11 2HB LYS 11 -6.830 -6.763 -8.860
49 HG2 LYS 11 1HG LYS 11 -6.323 -8.386 -7.342
50 HG3 LYS 11 2HG LYS 11 -7.737 -9.109 -8.113
51 HD2 LYS 11 1HD LYS 11 -6.130 -10.830 -8.006
52 HD3 LYS 11 2HD LYS 11 -6.102 -10.267 -9.679
53 HE2 LYS 11 1HE LYS 11 -4.213 -8.684 -8.787
54 HE3 LYS 11 2HE LYS 11 -4.088 -9.891 -7.507
55 HZ1 LYS 11 3HZ LYS 11 -3.699 -11.585 -9.162
56 HZ2 LYS 11 1HZ LYS 11 -2.574 -10.336 -9.356
57 HZ3 LYS 11 2HZ LYS 11 -3.887 -10.464 -10.415
58 HA PRO 12 HA PRO 12 -9.287 -4.624 -12.531
59 HB2 PRO 12 1HB PRO 12 -10.399 -2.940 -10.716
60 HB3 PRO 12 2HB PRO 12 -11.264 -4.322 -11.401
61 HG2 PRO 12 1HG PRO 12 -9.869 -4.078 -8.763
62 HG3 PRO 12 2HG PRO 12 -11.438 -4.817 -9.135
63 HD2 PRO 12 1HD PRO 12 -9.186 -6.278 -8.783
64 HD3 PRO 12 2HD PRO 12 -10.479 -6.770 -9.895
65 H TYR 13 H TYR 13 -7.336 -4.514 -9.676
66 HA TYR 13 HA TYR 13 -5.652 -2.486 -10.844
67 HB2 TYR 13 1HB TYR 13 -6.897 -1.937 -8.144
68 HB3 TYR 13 2HB TYR 13 -5.782 -0.900 -9.027
69 HD1 TYR 13 HD1 TYR 13 -9.233 -2.149 -8.857
70 HD2 TYR 13 HD2 TYR 13 -6.547 0.481 -10.849
71 HE1 TYR 13 HE1 TYR 13 -11.140 -1.012 -9.914
72 HE2 TYR 13 HE2 TYR 13 -8.447 1.626 -11.911
73 HH TYR 13 HH TYR 13 -11.616 0.362 -11.859
74 H GLN 14 H GLN 14 -3.704 -3.343 -10.616
75 HA GLN 14 HA GLN 14 -2.986 -4.533 -8.022
76 HB2 GLN 14 1HB GLN 14 -3.359 -6.330 -9.645
77 HB3 GLN 14 2HB GLN 14 -2.219 -5.579 -10.753
78 HG2 GLN 14 1HG GLN 14 -0.433 -5.905 -9.085
79 HG3 GLN 14 2HG GLN 14 -1.590 -6.742 -8.050
80 HE21 GLN 14 1HE2 GLN 14 0.091 -6.850 -11.125
81 HE22 GLN 14 2HE2 GLN 14 -0.040 -8.558 -11.352
82 H CYS 15 H CYS 15 -1.598 -3.129 -7.156
83 HA CYS 15 HA CYS 15 -0.047 -1.255 -8.483
84 HB2 CYS 15 1HB CYS 15 -0.477 -1.149 -6.080
85 HB3 CYS 15 2HB CYS 15 0.495 -2.594 -5.825
86 H SER 16 H SER 16 1.709 -1.380 -9.707
87 HA SER 16 HA SER 16 3.079 -3.926 -9.979
88 HB2 SER 16 1HB SER 16 2.355 -2.262 -11.882
89 HB3 SER 16 2HB SER 16 3.877 -1.463 -11.489
90 HG SER 16 HG SER 16 3.844 -3.228 -13.158
91 H GLU 17 H GLU 17 3.732 -0.655 -8.862
92 HA GLU 17 HA GLU 17 6.401 -0.468 -8.651
93 HB2 GLU 17 1HB GLU 17 4.314 0.196 -6.583
94 HB3 GLU 17 2HB GLU 17 6.011 0.594 -6.353
95 HG2 GLU 17 1HG GLU 17 4.103 1.654 -8.403
96 HG3 GLU 17 2HG GLU 17 5.036 2.540 -7.198
97 H CYS 18 H CYS 18 4.371 -2.322 -6.396
98 HA CYS 18 HA CYS 18 6.798 -3.759 -5.540
99 HB2 CYS 18 1HB CYS 18 5.622 -4.144 -3.371
100 HB3 CYS 18 2HB CYS 18 5.978 -2.449 -3.689
101 H GLY 19 H GLY 19 3.274 -4.044 -5.945
102 HA2 GLY 19 1HA GLY 19 2.568 -5.930 -7.409
103 HA3 GLY 19 2HA GLY 19 3.686 -6.922 -6.485
104 H LYS 20 H LYS 20 1.112 -4.594 -5.660
105 HA LYS 20 HA LYS 20 -0.167 -6.709 -4.068
106 HB2 LYS 20 1HB LYS 20 0.744 -4.014 -3.194
107 HB3 LYS 20 2HB LYS 20 -0.785 -4.600 -2.552
108 HG2 LYS 20 1HG LYS 20 0.728 -5.296 -0.960
109 HG3 LYS 20 2HG LYS 20 0.552 -6.735 -1.967
110 HD2 LYS 20 1HD LYS 20 2.582 -5.902 -3.249
111 HD3 LYS 20 2HD LYS 20 2.811 -4.747 -1.933
112 HE2 LYS 20 1HE LYS 20 2.993 -6.565 -0.337
113 HE3 LYS 20 2HE LYS 20 2.671 -7.744 -1.609
114 HZ1 LYS 20 3HZ LYS 20 5.081 -6.099 -1.183
115 HZ2 LYS 20 1HZ LYS 20 4.726 -6.715 -2.718
116 HZ3 LYS 20 2HZ LYS 20 4.961 -7.770 -1.417
117 H SER 21 H SER 21 -2.248 -6.963 -4.537
118 HA SER 21 HA SER 21 -3.591 -4.867 -6.093
119 HB2 SER 21 1HB SER 21 -5.033 -6.561 -6.953
120 HB3 SER 21 2HB SER 21 -3.405 -7.236 -6.995
121 HG SER 21 HG SER 21 -4.010 -8.137 -4.843
122 H PHE 22 H PHE 22 -5.738 -4.246 -5.598
123 HA PHE 22 HA PHE 22 -6.676 -4.949 -2.905
124 HB2 PHE 22 1HB PHE 22 -6.625 -2.139 -4.024
125 HB3 PHE 22 2HB PHE 22 -7.221 -2.620 -2.439
126 HD1 PHE 22 HD1 PHE 22 -4.251 -2.058 -4.496
127 HD2 PHE 22 HD2 PHE 22 -5.700 -3.160 -0.648
128 HE1 PHE 22 HE1 PHE 22 -2.003 -1.719 -3.555
129 HE2 PHE 22 HE2 PHE 22 -3.454 -2.823 0.298
130 HZ PHE 22 HZ PHE 22 -1.602 -2.100 -1.155
131 H SER 23 H SER 23 -8.974 -4.298 -2.549
132 HA SER 23 HA SER 23 -10.521 -4.985 -4.921
133 HB2 SER 23 1HB SER 23 -12.356 -5.408 -3.395
134 HB3 SER 23 2HB SER 23 -10.902 -6.179 -2.762
135 HG SER 23 HG SER 23 -12.419 -4.175 -1.697
136 H GLY 24 H GLY 24 -9.421 -2.438 -5.049
137 HA2 GLY 24 1HA GLY 24 -11.539 -0.857 -5.828
138 HA3 GLY 24 2HA GLY 24 -11.245 -0.435 -4.148
139 H SER 25 H SER 25 -10.816 0.873 -6.923
140 HA SER 25 HA SER 25 -8.040 1.282 -7.230
141 HB2 SER 25 1HB SER 25 -8.608 2.972 -8.801
142 HB3 SER 25 2HB SER 25 -9.883 1.761 -8.930
143 HG SER 25 HG SER 25 -9.968 4.325 -7.781
144 H TYR 26 H TYR 26 -10.546 3.143 -5.550
145 HA TYR 26 HA TYR 26 -9.186 5.389 -4.810
146 HB2 TYR 26 1HB TYR 26 -11.597 4.586 -4.226
147 HB3 TYR 26 2HB TYR 26 -10.849 3.955 -2.763
148 HD1 TYR 26 HD2 TYR 26 -9.796 5.507 -1.145
149 HD2 TYR 26 HD1 TYR 26 -11.961 6.929 -4.520
150 HE1 TYR 26 HE2 TYR 26 -9.958 7.727 -0.098
151 HE2 TYR 26 HE1 TYR 26 -12.128 9.154 -3.484
152 HH TYR 26 HH TYR 26 -11.138 9.725 -0.190
153 H ARG 27 H ARG 27 -8.910 2.171 -3.409
154 HA ARG 27 HA ARG 27 -7.173 3.004 -1.282
155 HB2 ARG 27 1HB ARG 27 -8.607 1.033 -1.041
156 HB3 ARG 27 2HB ARG 27 -7.767 0.247 -2.371
157 HG2 ARG 27 1HG ARG 27 -6.719 -0.725 -0.599
158 HG3 ARG 27 2HG ARG 27 -5.661 0.664 -0.856
159 HD2 ARG 27 1HD ARG 27 -6.167 0.412 1.504
160 HD3 ARG 27 2HD ARG 27 -6.879 1.898 0.879
161 HE ARG 27 HE ARG 27 -8.663 -0.364 0.870
162 HH11 ARG 27 1HH1 ARG 27 -7.429 2.327 2.702
163 HH12 ARG 27 2HH1 ARG 27 -8.810 2.419 3.745
164 HH21 ARG 27 1HH2 ARG 27 -10.486 -0.253 2.236
165 HH22 ARG 27 2HH2 ARG 27 -10.548 0.950 3.479
166 H LEU 28 H LEU 28 -6.752 1.416 -4.419
167 HA LEU 28 HA LEU 28 -4.103 0.739 -4.352
168 HB2 LEU 28 1HB LEU 28 -5.764 0.428 -6.234
169 HB3 LEU 28 2HB LEU 28 -5.385 2.078 -6.722
170 HG LEU 28 HG LEU 28 -2.920 1.149 -6.759
171 HD11 LEU 28 1HD1 LEU 28 -3.104 -1.234 -7.730
172 HD12 LEU 28 2HD1 LEU 28 -4.640 -1.298 -6.866
173 HD13 LEU 28 3HD1 LEU 28 -3.141 -1.023 -5.979
174 HD21 LEU 28 3HD2 LEU 28 -3.248 1.656 -8.892
175 HD22 LEU 28 1HD2 LEU 28 -4.992 1.512 -8.675
176 HD23 LEU 28 2HD2 LEU 28 -4.042 0.100 -9.138
177 H THR 29 H THR 29 -5.196 3.784 -5.851
178 HA THR 29 HA THR 29 -2.825 5.070 -6.119
179 HB THR 29 HB THR 29 -4.740 6.182 -6.941
180 HG1 THR 29 HG1 THR 29 -4.189 8.169 -6.331
181 HG21 THR 29 3HG2 THR 29 -6.685 6.596 -5.812
182 HG22 THR 29 1HG2 THR 29 -5.870 6.816 -4.265
183 HG23 THR 29 2HG2 THR 29 -6.126 5.192 -4.903
184 H GLN 30 H GLN 30 -4.904 5.440 -3.239
185 HA GLN 30 HA GLN 30 -3.368 6.987 -1.647
186 HB2 GLN 30 1HB GLN 30 -5.004 4.564 -0.926
187 HB3 GLN 30 2HB GLN 30 -4.233 5.562 0.299
188 HG2 GLN 30 1HG GLN 30 -6.045 6.766 -1.755
189 HG3 GLN 30 2HG GLN 30 -6.687 6.011 -0.297
190 HE21 GLN 30 1HE2 GLN 30 -5.726 6.803 1.767
191 HE22 GLN 30 2HE2 GLN 30 -5.401 8.495 1.895
192 H HIS 31 H HIS 31 -2.851 3.566 -2.313
193 HA HIS 31 HA HIS 31 -0.648 3.341 -0.475
194 HB2 HIS 31 1HB HIS 31 -1.699 1.297 -0.745
195 HB3 HIS 31 2HB HIS 31 -1.956 1.538 -2.471
196 HD1 HIS 31 HD1 HIS 31 0.790 0.645 -0.029
197 HD2 HIS 31 HD2 HIS 31 -0.049 0.424 -4.092
198 HE1 HIS 31 HE1 HIS 31 2.638 -0.741 -1.023
199 H TRP 32 H TRP 32 -0.987 3.423 -4.015
200 HA TRP 32 HA TRP 32 1.575 3.123 -4.850
201 HB2 TRP 32 1HB TRP 32 -0.665 4.841 -5.831
202 HB3 TRP 32 2HB TRP 32 0.923 5.023 -6.570
203 HD1 TRP 32 HD1 TRP 32 -1.098 1.846 -5.584
204 HE1 TRP 32 HE1 TRP 32 -1.146 0.283 -7.628
205 HE3 TRP 32 HE3 TRP 32 1.480 4.764 -8.897
206 HZ2 TRP 32 HZ2 TRP 32 -0.213 0.286 -10.293
207 HZ3 TRP 32 HZ3 TRP 32 1.859 3.910 -11.173
208 HH2 TRP 32 HH2 TRP 32 1.030 1.717 -11.855
209 H ILE 33 H ILE 33 0.150 6.145 -3.641
210 HA ILE 33 HA ILE 33 2.089 7.972 -4.012
211 HB ILE 33 HB ILE 33 0.646 7.534 -1.394
212 HG12 ILE 33 1HG1 ILE 33 -0.060 9.341 -3.715
213 HG13 ILE 33 2HG1 ILE 33 -0.807 7.776 -3.414
214 HG21 ILE 33 1HG2 ILE 33 2.756 9.177 -1.754
215 HG22 ILE 33 2HG2 ILE 33 1.435 10.244 -2.226
216 HG23 ILE 33 3HG2 ILE 33 1.437 9.499 -0.628
217 HD11 ILE 33 3HD1 ILE 33 -2.345 9.060 -2.391
218 HD12 ILE 33 1HD1 ILE 33 -1.224 8.922 -1.037
219 HD13 ILE 33 2HD1 ILE 33 -1.201 10.360 -2.058
220 H THR 34 H THR 34 2.175 5.372 -1.627
221 HA THR 34 HA THR 34 4.340 6.054 -0.097
222 HB THR 34 HB THR 34 4.788 3.648 0.196
223 HG1 THR 34 HG1 THR 34 4.341 2.391 -1.438
224 HG21 THR 34 3HG2 THR 34 2.393 2.987 0.806
225 HG22 THR 34 1HG2 THR 34 1.927 4.576 0.200
226 HG23 THR 34 2HG2 THR 34 3.043 4.443 1.559
227 H HIS 35 H HIS 35 4.390 4.493 -3.284
228 HA HIS 35 HA HIS 35 7.239 4.315 -3.392
229 HB2 HIS 35 1HB HIS 35 5.346 4.244 -5.742
230 HB3 HIS 35 2HB HIS 35 6.949 3.523 -5.627
231 HD1 HIS 35 HD1 HIS 35 6.954 1.726 -3.371
232 HD2 HIS 35 HD2 HIS 35 3.476 2.320 -5.565
233 HE1 HIS 35 HE1 HIS 35 5.517 -0.287 -2.911
234 H THR 36 H THR 36 4.850 6.655 -4.432
235 HA THR 36 HA THR 36 6.487 8.185 -6.138
236 HB THR 36 HB THR 36 4.143 9.124 -4.473
237 HG1 THR 36 HG1 THR 36 2.978 8.709 -6.426
238 HG21 THR 36 3HG2 THR 36 4.337 11.130 -5.438
239 HG22 THR 36 1HG2 THR 36 4.560 10.418 -7.035
240 HG23 THR 36 2HG2 THR 36 5.944 10.628 -5.961
241 H ARG 37 H ARG 37 5.478 8.936 -2.794
242 HA ARG 37 HA ARG 37 7.008 11.128 -2.300
243 HB2 ARG 37 1HB ARG 37 6.348 8.827 -0.464
244 HB3 ARG 37 2HB ARG 37 7.129 10.299 0.097
245 HG2 ARG 37 1HG ARG 37 4.509 10.343 -1.365
246 HG3 ARG 37 2HG ARG 37 4.613 10.132 0.384
247 HD2 ARG 37 1HD ARG 37 5.576 12.257 0.689
248 HD3 ARG 37 2HD ARG 37 5.951 12.420 -1.026
249 HE ARG 37 HE ARG 37 3.162 12.181 -0.666
250 HH11 ARG 37 1HH1 ARG 37 5.786 14.421 -0.200
251 HH12 ARG 37 2HH1 ARG 37 4.786 15.828 -0.360
252 HH21 ARG 37 1HH2 ARG 37 1.836 14.025 -0.878
253 HH22 ARG 37 2HH2 ARG 37 2.539 15.601 -0.745
254 H GLU 38 H GLU 38 9.051 11.334 -3.023
255 HA GLU 38 HA GLU 38 11.014 9.554 -3.447
256 HB2 GLU 38 1HB GLU 38 11.007 12.175 -3.569
257 HB3 GLU 38 2HB GLU 38 11.779 12.057 -1.994
258 HG2 GLU 38 1HG GLU 38 12.778 10.844 -4.561
259 HG3 GLU 38 2HG GLU 38 13.429 12.269 -3.752
260 H LYS 39 H LYS 39 11.698 7.907 -2.258
261 HA LYS 39 HA LYS 39 12.830 8.347 0.343
262 HB2 LYS 39 1HB LYS 39 10.189 6.997 0.025
263 HB3 LYS 39 2HB LYS 39 11.313 6.349 1.212
264 HG2 LYS 39 1HG LYS 39 11.458 8.833 2.002
265 HG3 LYS 39 2HG LYS 39 9.912 8.978 1.163
266 HD2 LYS 39 1HD LYS 39 9.157 8.380 3.232
267 HD3 LYS 39 2HD LYS 39 9.382 6.773 2.537
268 HE2 LYS 39 1HE LYS 39 11.685 8.039 3.929
269 HE3 LYS 39 2HE LYS 39 10.358 7.423 4.912
270 HZ1 LYS 39 3HZ LYS 39 12.030 5.734 4.623
271 HZ2 LYS 39 1HZ LYS 39 11.944 5.871 2.939
272 HZ3 LYS 39 2HZ LYS 39 10.623 5.268 3.807
273 HA PRO 40 HA PRO 40 15.352 4.984 -0.929
274 HB2 PRO 40 1HB PRO 40 16.155 4.013 1.475
275 HB3 PRO 40 2HB PRO 40 16.749 5.539 0.809
276 HG2 PRO 40 1HG PRO 40 14.610 5.068 2.850
277 HG3 PRO 40 2HG PRO 40 15.898 6.287 2.840
278 HD2 PRO 40 1HD PRO 40 13.350 6.853 2.120
279 HD3 PRO 40 2HD PRO 40 14.751 7.669 1.395
280 H SER 41 H SER 41 14.760 3.072 -1.716
281 HA SER 41 HA SER 41 12.975 1.374 -0.098
282 HB2 SER 41 1HB SER 41 12.008 0.528 -2.163
283 HB3 SER 41 2HB SER 41 11.902 2.289 -2.147
284 HG SER 41 HG SER 41 14.010 2.117 -3.353
285 H GLY 42 H GLY 42 13.584 -0.679 0.296
286 HA2 GLY 42 1HA GLY 42 16.220 -1.503 0.036
287 HA3 GLY 42 2HA GLY 42 14.864 -2.584 0.324
288 HA PRO 43 HA PRO 43 16.844 -3.261 -3.928
289 HB2 PRO 43 1HB PRO 43 17.946 -5.689 -3.420
290 HB3 PRO 43 2HB PRO 43 18.810 -4.169 -3.161
291 HG2 PRO 43 1HG PRO 43 17.388 -5.902 -1.177
292 HG3 PRO 43 2HG PRO 43 18.957 -5.087 -1.030
293 HD2 PRO 43 1HD PRO 43 16.693 -4.101 0.081
294 HD3 PRO 43 2HD PRO 43 17.995 -3.055 -0.521
295 H SER 44 H SER 44 15.008 -3.684 -5.033
296 HA SER 44 HA SER 44 14.061 -6.377 -5.174
297 HB2 SER 44 1HB SER 44 12.891 -5.218 -3.129
298 HB3 SER 44 2HB SER 44 11.916 -4.440 -4.376
299 HG SER 44 HG SER 44 11.734 -6.935 -3.407
300 H SER 45 H SER 45 13.503 -6.741 -7.214
301 HA SER 45 HA SER 45 12.156 -4.687 -8.771
302 HB2 SER 45 1HB SER 45 14.908 -5.731 -9.404
303 HB3 SER 45 2HB SER 45 13.845 -5.132 -10.677
304 HG SER 45 HG SER 45 14.331 -3.186 -10.084
305 H GLY 46 H GLY 46 11.376 -5.517 -10.865
306 HA2 GLY 46 1HA GLY 46 10.732 -7.259 -12.308
307 HA3 GLY 46 2HA GLY 46 11.331 -8.423 -11.135
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -7.916 -37.226 -18.705
2 HA2 GLY 1 1HA GLY 1 -5.334 -37.390 -17.855
3 HA3 GLY 1 2HA GLY 1 -5.278 -36.140 -19.088
4 H SER 2 H SER 2 -4.506 -35.193 -16.834
5 HA SER 2 HA SER 2 -6.687 -34.293 -15.163
6 HB2 SER 2 1HB SER 2 -3.704 -33.928 -15.122
7 HB3 SER 2 2HB SER 2 -4.740 -32.930 -14.101
8 HG SER 2 HG SER 2 -4.684 -34.563 -12.788
9 H SER 3 H SER 3 -7.578 -32.287 -15.095
10 HA SER 3 HA SER 3 -6.455 -30.062 -16.526
11 HB2 SER 3 1HB SER 3 -8.886 -31.497 -17.586
12 HB3 SER 3 2HB SER 3 -8.586 -29.794 -17.935
13 HG SER 3 HG SER 3 -6.374 -30.732 -18.563
14 H GLY 4 H GLY 4 -7.898 -28.116 -16.375
15 HA2 GLY 4 1HA GLY 4 -10.076 -27.445 -15.190
16 HA3 GLY 4 2HA GLY 4 -9.319 -28.200 -13.796
17 H SER 5 H SER 5 -10.100 -25.327 -14.773
18 HA SER 5 HA SER 5 -7.684 -23.843 -14.766
19 HB2 SER 5 1HB SER 5 -9.583 -22.795 -15.738
20 HB3 SER 5 2HB SER 5 -10.565 -23.073 -14.300
21 HG SER 5 HG SER 5 -9.823 -20.914 -14.421
22 H SER 6 H SER 6 -6.639 -22.755 -13.140
23 HA SER 6 HA SER 6 -6.496 -23.855 -10.623
24 HB2 SER 6 1HB SER 6 -4.940 -22.136 -11.806
25 HB3 SER 6 2HB SER 6 -5.954 -20.925 -11.022
26 HG SER 6 HG SER 6 -4.185 -22.776 -9.898
27 H GLY 7 H GLY 7 -8.238 -20.882 -11.544
28 HA2 GLY 7 1HA GLY 7 -10.586 -21.001 -10.430
29 HA3 GLY 7 2HA GLY 7 -9.628 -20.959 -8.957
30 H GLU 8 H GLU 8 -7.677 -19.129 -9.611
31 HA GLU 8 HA GLU 8 -9.180 -16.692 -10.284
32 HB2 GLU 8 1HB GLU 8 -8.184 -15.492 -8.459
33 HB3 GLU 8 2HB GLU 8 -8.933 -16.946 -7.813
34 HG2 GLU 8 1HG GLU 8 -6.746 -18.035 -7.735
35 HG3 GLU 8 2HG GLU 8 -5.998 -16.570 -8.368
36 H GLY 9 H GLY 9 -8.101 -15.179 -11.471
37 HA2 GLY 9 1HA GLY 9 -5.361 -15.913 -12.295
38 HA3 GLY 9 2HA GLY 9 -6.527 -15.116 -13.340
39 H GLU 10 H GLU 10 -6.028 -13.069 -13.698
40 HA GLU 10 HA GLU 10 -4.465 -11.605 -11.709
41 HB2 GLU 10 1HB GLU 10 -4.116 -9.954 -13.503
42 HB3 GLU 10 2HB GLU 10 -3.623 -11.570 -13.991
43 HG2 GLU 10 1HG GLU 10 -5.497 -11.838 -15.382
44 HG3 GLU 10 2HG GLU 10 -6.320 -10.450 -14.673
45 H LYS 11 H LYS 11 -5.024 -9.356 -11.233
46 HA LYS 11 HA LYS 11 -7.944 -8.990 -11.127
47 HB2 LYS 11 1HB LYS 11 -5.780 -7.996 -9.267
48 HB3 LYS 11 2HB LYS 11 -7.469 -7.519 -9.155
49 HG2 LYS 11 1HG LYS 11 -7.329 -9.203 -7.592
50 HG3 LYS 11 2HG LYS 11 -7.920 -10.067 -9.013
51 HD2 LYS 11 1HD LYS 11 -5.633 -10.784 -9.522
52 HD3 LYS 11 2HD LYS 11 -5.047 -9.923 -8.097
53 HE2 LYS 11 1HE LYS 11 -5.239 -12.097 -7.326
54 HE3 LYS 11 2HE LYS 11 -6.765 -11.378 -6.817
55 HZ1 LYS 11 3HZ LYS 11 -6.873 -13.635 -7.924
56 HZ2 LYS 11 1HZ LYS 11 -6.504 -12.843 -9.373
57 HZ3 LYS 11 2HZ LYS 11 -7.916 -12.448 -8.530
58 HA PRO 12 HA PRO 12 -7.556 -5.402 -13.646
59 HB2 PRO 12 1HB PRO 12 -9.809 -4.092 -12.886
60 HB3 PRO 12 2HB PRO 12 -9.834 -5.527 -13.916
61 HG2 PRO 12 1HG PRO 12 -10.327 -5.300 -10.972
62 HG3 PRO 12 2HG PRO 12 -11.210 -6.247 -12.184
63 HD2 PRO 12 1HD PRO 12 -9.371 -7.349 -10.530
64 HD3 PRO 12 2HD PRO 12 -9.647 -7.942 -12.181
65 H TYR 13 H TYR 13 -7.716 -5.234 -10.193
66 HA TYR 13 HA TYR 13 -6.522 -2.543 -10.291
67 HB2 TYR 13 1HB TYR 13 -8.538 -3.646 -8.336
68 HB3 TYR 13 2HB TYR 13 -7.572 -2.215 -7.994
69 HD1 TYR 13 HD1 TYR 13 -9.530 -3.467 -10.932
70 HD2 TYR 13 HD2 TYR 13 -8.746 -0.256 -8.253
71 HE1 TYR 13 HE1 TYR 13 -11.176 -2.080 -12.122
72 HE2 TYR 13 HE2 TYR 13 -10.390 1.140 -9.435
73 HH TYR 13 HH TYR 13 -11.655 0.325 -12.460
74 H GLN 14 H GLN 14 -4.490 -3.728 -10.367
75 HA GLN 14 HA GLN 14 -3.585 -4.413 -7.667
76 HB2 GLN 14 1HB GLN 14 -3.982 -6.562 -8.643
77 HB3 GLN 14 2HB GLN 14 -3.182 -6.096 -10.139
78 HG2 GLN 14 1HG GLN 14 -1.054 -5.913 -8.897
79 HG3 GLN 14 2HG GLN 14 -1.883 -6.499 -7.455
80 HE21 GLN 14 1HE2 GLN 14 -0.410 -7.330 -10.427
81 HE22 GLN 14 2HE2 GLN 14 -0.616 -9.041 -10.313
82 H CYS 15 H CYS 15 -1.778 -3.373 -7.146
83 HA CYS 15 HA CYS 15 -0.538 -1.526 -8.829
84 HB2 CYS 15 1HB CYS 15 -0.433 -1.428 -6.367
85 HB3 CYS 15 2HB CYS 15 0.605 -2.850 -6.359
86 H SER 16 H SER 16 1.662 -1.494 -9.634
87 HA SER 16 HA SER 16 2.543 -4.162 -10.520
88 HB2 SER 16 1HB SER 16 1.743 -2.647 -12.329
89 HB3 SER 16 2HB SER 16 3.015 -1.506 -11.896
90 HG SER 16 HG SER 16 3.249 -4.079 -13.024
91 H GLU 17 H GLU 17 3.637 -0.982 -9.427
92 HA GLU 17 HA GLU 17 6.346 -1.207 -9.509
93 HB2 GLU 17 1HB GLU 17 4.740 -0.114 -7.192
94 HB3 GLU 17 2HB GLU 17 6.434 0.231 -7.512
95 HG2 GLU 17 1HG GLU 17 4.160 0.926 -9.356
96 HG3 GLU 17 2HG GLU 17 4.918 2.038 -8.218
97 H CYS 18 H CYS 18 4.354 -2.275 -6.747
98 HA CYS 18 HA CYS 18 6.569 -4.030 -5.932
99 HB2 CYS 18 1HB CYS 18 5.525 -4.053 -3.711
100 HB3 CYS 18 2HB CYS 18 5.861 -2.406 -4.235
101 H GLY 19 H GLY 19 3.036 -3.952 -6.317
102 HA2 GLY 19 1HA GLY 19 1.963 -5.790 -7.492
103 HA3 GLY 19 2HA GLY 19 3.133 -6.870 -6.749
104 H LYS 20 H LYS 20 0.423 -4.710 -6.016
105 HA LYS 20 HA LYS 20 -0.490 -6.619 -4.008
106 HB2 LYS 20 1HB LYS 20 0.245 -3.760 -3.455
107 HB3 LYS 20 2HB LYS 20 -0.996 -4.564 -2.502
108 HG2 LYS 20 1HG LYS 20 0.513 -6.077 -1.585
109 HG3 LYS 20 2HG LYS 20 1.713 -5.790 -2.847
110 HD2 LYS 20 1HD LYS 20 2.034 -3.501 -1.975
111 HD3 LYS 20 2HD LYS 20 0.893 -3.858 -0.677
112 HE2 LYS 20 1HE LYS 20 2.357 -5.662 0.102
113 HE3 LYS 20 2HE LYS 20 3.497 -5.294 -1.192
114 HZ1 LYS 20 3HZ LYS 20 4.189 -4.293 0.887
115 HZ2 LYS 20 1HZ LYS 20 2.723 -3.458 1.011
116 HZ3 LYS 20 2HZ LYS 20 3.803 -3.090 -0.238
117 H SER 21 H SER 21 -2.637 -6.884 -4.066
118 HA SER 21 HA SER 21 -4.174 -5.193 -5.875
119 HB2 SER 21 1HB SER 21 -4.928 -7.770 -4.474
120 HB3 SER 21 2HB SER 21 -5.911 -6.934 -5.676
121 HG SER 21 HG SER 21 -4.830 -8.343 -6.888
122 H PHE 22 H PHE 22 -5.837 -3.897 -5.282
123 HA PHE 22 HA PHE 22 -6.509 -3.784 -2.416
124 HB2 PHE 22 1HB PHE 22 -6.073 -1.477 -4.320
125 HB3 PHE 22 2HB PHE 22 -6.780 -1.307 -2.717
126 HD1 PHE 22 HD1 PHE 22 -3.781 -2.903 -4.269
127 HD2 PHE 22 HD2 PHE 22 -5.369 -0.592 -1.066
128 HE1 PHE 22 HE1 PHE 22 -1.526 -2.696 -3.304
129 HE2 PHE 22 HE2 PHE 22 -3.117 -0.381 -0.098
130 HZ PHE 22 HZ PHE 22 -1.192 -1.433 -1.217
131 H SER 23 H SER 23 -8.631 -2.935 -1.925
132 HA SER 23 HA SER 23 -10.721 -4.130 -3.151
133 HB2 SER 23 1HB SER 23 -10.521 -1.606 -1.561
134 HB3 SER 23 2HB SER 23 -12.063 -2.004 -2.319
135 HG SER 23 HG SER 23 -10.591 -3.648 -0.531
136 H GLY 24 H GLY 24 -9.781 -0.743 -3.789
137 HA2 GLY 24 1HA GLY 24 -10.560 -1.085 -6.580
138 HA3 GLY 24 2HA GLY 24 -11.459 0.109 -5.657
139 H SER 25 H SER 25 -10.721 1.781 -7.012
140 HA SER 25 HA SER 25 -7.931 2.285 -7.387
141 HB2 SER 25 1HB SER 25 -9.622 3.033 -9.019
142 HB3 SER 25 2HB SER 25 -10.300 4.124 -7.811
143 HG SER 25 HG SER 25 -7.822 4.262 -9.140
144 H TYR 26 H TYR 26 -10.449 4.094 -5.618
145 HA TYR 26 HA TYR 26 -9.064 6.028 -4.392
146 HB2 TYR 26 1HB TYR 26 -11.517 5.239 -4.030
147 HB3 TYR 26 2HB TYR 26 -10.852 4.330 -2.678
148 HD1 TYR 26 HD2 TYR 26 -9.945 5.486 -0.726
149 HD2 TYR 26 HD1 TYR 26 -11.652 7.653 -3.966
150 HE1 TYR 26 HE2 TYR 26 -10.072 7.493 0.690
151 HE2 TYR 26 HE1 TYR 26 -11.783 9.666 -2.558
152 HH TYR 26 HH TYR 26 -11.823 9.811 0.445
153 H ARG 27 H ARG 27 -9.217 2.689 -3.165
154 HA ARG 27 HA ARG 27 -7.412 3.123 -1.027
155 HB2 ARG 27 1HB ARG 27 -8.406 0.646 -2.421
156 HB3 ARG 27 2HB ARG 27 -7.223 0.562 -1.123
157 HG2 ARG 27 1HG ARG 27 -9.769 2.050 -0.689
158 HG3 ARG 27 2HG ARG 27 -9.762 0.287 -0.617
159 HD2 ARG 27 1HD ARG 27 -7.968 2.098 0.995
160 HD3 ARG 27 2HD ARG 27 -9.446 1.346 1.593
161 HE ARG 27 HE ARG 27 -8.040 -0.775 0.745
162 HH11 ARG 27 1HH1 ARG 27 -7.186 1.934 2.757
163 HH12 ARG 27 2HH1 ARG 27 -6.022 1.046 3.683
164 HH21 ARG 27 1HH2 ARG 27 -6.511 -1.955 1.957
165 HH22 ARG 27 2HH2 ARG 27 -5.638 -1.166 3.227
166 H LEU 28 H LEU 28 -6.991 1.685 -4.253
167 HA LEU 28 HA LEU 28 -4.348 0.945 -4.118
168 HB2 LEU 28 1HB LEU 28 -6.075 0.751 -6.035
169 HB3 LEU 28 2HB LEU 28 -5.426 2.303 -6.559
170 HG LEU 28 HG LEU 28 -3.137 1.096 -6.511
171 HD11 LEU 28 1HD1 LEU 28 -3.261 -0.989 -5.715
172 HD12 LEU 28 2HD1 LEU 28 -3.902 -1.402 -7.305
173 HD13 LEU 28 3HD1 LEU 28 -5.005 -1.086 -5.966
174 HD21 LEU 28 3HD2 LEU 28 -4.471 -0.125 -8.738
175 HD22 LEU 28 1HD2 LEU 28 -3.366 1.249 -8.713
176 HD23 LEU 28 2HD2 LEU 28 -5.095 1.504 -8.479
177 H THR 29 H THR 29 -5.677 4.151 -4.798
178 HA THR 29 HA THR 29 -3.289 5.458 -5.436
179 HB THR 29 HB THR 29 -5.682 6.653 -4.024
180 HG1 THR 29 HG1 THR 29 -6.596 6.082 -5.863
181 HG21 THR 29 3HG2 THR 29 -3.876 8.107 -5.915
182 HG22 THR 29 1HG2 THR 29 -3.410 7.919 -4.225
183 HG23 THR 29 2HG2 THR 29 -4.910 8.748 -4.639
184 H GLN 30 H GLN 30 -4.973 5.296 -2.295
185 HA GLN 30 HA GLN 30 -3.260 6.731 -0.730
186 HB2 GLN 30 1HB GLN 30 -4.650 4.148 0.003
187 HB3 GLN 30 2HB GLN 30 -3.958 5.281 1.156
188 HG2 GLN 30 1HG GLN 30 -5.514 7.018 0.191
189 HG3 GLN 30 2HG GLN 30 -6.311 5.696 -0.660
190 HE21 GLN 30 1HE2 GLN 30 -7.973 4.821 0.333
191 HE22 GLN 30 2HE2 GLN 30 -8.275 4.847 2.034
192 H HIS 31 H HIS 31 -2.904 3.350 -1.718
193 HA HIS 31 HA HIS 31 -0.492 2.939 -0.241
194 HB2 HIS 31 1HB HIS 31 -1.537 0.926 -0.637
195 HB3 HIS 31 2HB HIS 31 -2.061 1.393 -2.252
196 HD1 HIS 31 HD1 HIS 31 1.114 0.368 -0.444
197 HD2 HIS 31 HD2 HIS 31 -0.526 0.391 -4.261
198 HE1 HIS 31 HE1 HIS 31 2.752 -0.880 -1.887
199 H TRP 32 H TRP 32 -1.168 3.288 -3.725
200 HA TRP 32 HA TRP 32 1.291 3.166 -4.820
201 HB2 TRP 32 1HB TRP 32 -1.085 4.860 -5.416
202 HB3 TRP 32 2HB TRP 32 0.421 5.252 -6.242
203 HD1 TRP 32 HD1 TRP 32 -1.247 1.813 -5.515
204 HE1 TRP 32 HE1 TRP 32 -1.381 0.522 -7.738
205 HE3 TRP 32 HE3 TRP 32 0.729 5.352 -8.631
206 HZ2 TRP 32 HZ2 TRP 32 -0.734 0.947 -10.452
207 HZ3 TRP 32 HZ3 TRP 32 0.937 4.831 -11.026
208 HH2 TRP 32 HH2 TRP 32 0.221 2.673 -11.916
209 H ILE 33 H ILE 33 -0.024 5.969 -3.097
210 HA ILE 33 HA ILE 33 1.783 7.919 -3.490
211 HB ILE 33 HB ILE 33 0.691 7.052 -0.813
212 HG12 ILE 33 1HG1 ILE 33 -0.210 9.354 -2.537
213 HG13 ILE 33 2HG1 ILE 33 -0.879 7.737 -2.723
214 HG21 ILE 33 1HG2 ILE 33 1.208 9.329 -0.053
215 HG22 ILE 33 2HG2 ILE 33 2.661 8.429 -0.482
216 HG23 ILE 33 3HG2 ILE 33 2.020 9.645 -1.586
217 HD11 ILE 33 3HD1 ILE 33 -2.403 8.494 -1.267
218 HD12 ILE 33 1HD1 ILE 33 -1.176 8.077 -0.070
219 HD13 ILE 33 2HD1 ILE 33 -1.332 9.743 -0.631
220 H THR 34 H THR 34 2.289 5.099 -1.409
221 HA THR 34 HA THR 34 4.654 5.681 -0.187
222 HB THR 34 HB THR 34 5.183 3.296 -0.187
223 HG1 THR 34 HG1 THR 34 2.964 2.860 -1.896
224 HG21 THR 34 3HG2 THR 34 2.598 2.583 0.302
225 HG22 THR 34 1HG2 THR 34 2.511 4.338 0.444
226 HG23 THR 34 2HG2 THR 34 3.639 3.426 1.448
227 H HIS 35 H HIS 35 4.332 4.240 -3.432
228 HA HIS 35 HA HIS 35 7.104 4.283 -4.000
229 HB2 HIS 35 1HB HIS 35 4.938 4.371 -6.091
230 HB3 HIS 35 2HB HIS 35 6.524 3.612 -6.191
231 HD1 HIS 35 HD1 HIS 35 6.762 1.584 -4.236
232 HD2 HIS 35 HD2 HIS 35 2.993 2.552 -5.693
233 HE1 HIS 35 HE1 HIS 35 5.313 -0.407 -3.728
234 H THR 36 H THR 36 4.487 6.565 -4.578
235 HA THR 36 HA THR 36 5.650 8.311 -6.359
236 HB THR 36 HB THR 36 3.962 9.114 -3.981
237 HG1 THR 36 HG1 THR 36 3.258 7.439 -5.736
238 HG21 THR 36 3HG2 THR 36 4.544 11.151 -4.809
239 HG22 THR 36 1HG2 THR 36 3.242 10.791 -5.942
240 HG23 THR 36 2HG2 THR 36 4.920 10.515 -6.410
241 H ARG 37 H ARG 37 5.978 8.299 -2.819
242 HA ARG 37 HA ARG 37 8.312 10.074 -3.122
243 HB2 ARG 37 1HB ARG 37 7.837 11.016 -0.957
244 HB3 ARG 37 2HB ARG 37 6.385 11.120 -1.943
245 HG2 ARG 37 1HG ARG 37 5.441 9.200 -0.802
246 HG3 ARG 37 2HG ARG 37 6.916 9.020 0.149
247 HD2 ARG 37 1HD ARG 37 5.323 11.565 0.167
248 HD3 ARG 37 2HD ARG 37 4.925 10.217 1.232
249 HE ARG 37 HE ARG 37 7.537 10.573 1.728
250 HH11 ARG 37 1HH1 ARG 37 4.868 12.804 1.580
251 HH12 ARG 37 2HH1 ARG 37 5.546 13.895 2.743
252 HH21 ARG 37 1HH2 ARG 37 8.440 12.002 3.260
253 HH22 ARG 37 2HH2 ARG 37 7.578 13.438 3.697
254 H GLU 38 H GLU 38 10.211 9.349 -2.388
255 HA GLU 38 HA GLU 38 10.209 6.991 -0.622
256 HB2 GLU 38 1HB GLU 38 11.980 7.545 -3.004
257 HB3 GLU 38 2HB GLU 38 12.313 6.292 -1.818
258 HG2 GLU 38 1HG GLU 38 9.708 6.388 -3.289
259 HG3 GLU 38 2HG GLU 38 11.136 5.631 -3.991
260 H LYS 39 H LYS 39 11.651 6.978 1.041
261 HA LYS 39 HA LYS 39 13.727 9.012 1.181
262 HB2 LYS 39 1HB LYS 39 13.003 9.899 3.308
263 HB3 LYS 39 2HB LYS 39 11.700 10.076 2.140
264 HG2 LYS 39 1HG LYS 39 10.759 7.916 3.093
265 HG3 LYS 39 2HG LYS 39 11.912 8.129 4.412
266 HD2 LYS 39 1HD LYS 39 10.836 9.985 5.233
267 HD3 LYS 39 2HD LYS 39 10.158 10.418 3.662
268 HE2 LYS 39 1HE LYS 39 8.382 9.658 5.091
269 HE3 LYS 39 2HE LYS 39 8.649 8.457 3.829
270 HZ1 LYS 39 3HZ LYS 39 10.273 7.828 6.027
271 HZ2 LYS 39 1HZ LYS 39 8.984 6.940 5.385
272 HZ3 LYS 39 2HZ LYS 39 8.700 8.087 6.595
273 HA PRO 40 HA PRO 40 15.898 5.712 3.124
274 HB2 PRO 40 1HB PRO 40 17.847 7.143 4.359
275 HB3 PRO 40 2HB PRO 40 17.815 6.871 2.613
276 HG2 PRO 40 1HG PRO 40 16.937 9.271 4.172
277 HG3 PRO 40 2HG PRO 40 17.860 9.195 2.660
278 HD2 PRO 40 1HD PRO 40 15.207 9.732 2.722
279 HD3 PRO 40 2HD PRO 40 15.974 8.861 1.378
280 H SER 41 H SER 41 15.149 4.629 4.828
281 HA SER 41 HA SER 41 15.204 5.882 7.459
282 HB2 SER 41 1HB SER 41 12.891 6.202 6.471
283 HB3 SER 41 2HB SER 41 12.718 4.448 6.511
284 HG SER 41 HG SER 41 12.970 6.254 8.662
285 H GLY 42 H GLY 42 14.596 4.180 9.179
286 HA2 GLY 42 1HA GLY 42 14.737 2.003 10.013
287 HA3 GLY 42 2HA GLY 42 15.153 1.438 8.402
288 HA PRO 43 HA PRO 43 18.935 2.179 11.300
289 HB2 PRO 43 1HB PRO 43 19.095 -0.198 12.601
290 HB3 PRO 43 2HB PRO 43 18.225 1.197 13.251
291 HG2 PRO 43 1HG PRO 43 17.156 -1.199 11.810
292 HG3 PRO 43 2HG PRO 43 16.517 -0.381 13.247
293 HD2 PRO 43 1HD PRO 43 15.495 0.015 10.771
294 HD3 PRO 43 2HD PRO 43 15.519 1.287 12.009
295 H SER 44 H SER 44 20.898 1.612 10.519
296 HA SER 44 HA SER 44 20.965 -0.371 8.382
297 HB2 SER 44 1HB SER 44 21.926 1.947 8.093
298 HB3 SER 44 2HB SER 44 23.183 1.495 9.245
299 HG SER 44 HG SER 44 22.737 -0.230 7.107
300 H SER 45 H SER 45 20.798 -2.205 9.815
301 HA SER 45 HA SER 45 22.492 -2.838 11.904
302 HB2 SER 45 1HB SER 45 20.437 -4.118 10.959
303 HB3 SER 45 2HB SER 45 21.618 -4.944 9.943
304 HG SER 45 HG SER 45 21.008 -5.751 12.224
305 H GLY 46 H GLY 46 24.478 -3.816 12.108
306 HA2 GLY 46 1HA GLY 46 26.000 -5.106 10.229
307 HA3 GLY 46 2HA GLY 46 26.317 -3.400 9.948
Start of MODEL 6
1 H1 GLY 1 H GLY 1 12.099 -30.405 -4.822
2 HA2 GLY 1 1HA GLY 1 9.473 -30.188 -5.498
3 HA3 GLY 1 2HA GLY 1 10.110 -29.610 -3.965
4 H SER 2 H SER 2 7.922 -28.395 -5.031
5 HA SER 2 HA SER 2 8.845 -25.694 -5.302
6 HB2 SER 2 1HB SER 2 8.039 -25.196 -7.477
7 HB3 SER 2 2HB SER 2 8.969 -26.684 -7.658
8 HG SER 2 HG SER 2 7.146 -27.814 -7.932
9 H SER 3 H SER 3 6.907 -24.185 -5.641
10 HA SER 3 HA SER 3 4.586 -25.297 -4.203
11 HB2 SER 3 1HB SER 3 4.329 -23.257 -3.024
12 HB3 SER 3 2HB SER 3 6.057 -23.605 -2.969
13 HG SER 3 HG SER 3 5.899 -22.232 -5.081
14 H GLY 4 H GLY 4 2.554 -24.837 -4.939
15 HA2 GLY 4 1HA GLY 4 2.433 -23.505 -7.564
16 HA3 GLY 4 2HA GLY 4 1.293 -24.712 -6.987
17 H SER 5 H SER 5 -0.144 -22.902 -7.850
18 HA SER 5 HA SER 5 -1.377 -21.620 -5.657
19 HB2 SER 5 1HB SER 5 0.735 -20.167 -6.224
20 HB3 SER 5 2HB SER 5 -0.260 -19.590 -7.561
21 HG SER 5 HG SER 5 -1.624 -18.663 -6.174
22 H SER 6 H SER 6 -3.275 -20.367 -6.298
23 HA SER 6 HA SER 6 -4.278 -21.256 -8.916
24 HB2 SER 6 1HB SER 6 -5.796 -20.460 -6.420
25 HB3 SER 6 2HB SER 6 -6.538 -20.951 -7.943
26 HG SER 6 HG SER 6 -4.984 -22.887 -7.519
27 H GLY 7 H GLY 7 -5.679 -19.807 -10.110
28 HA2 GLY 7 1HA GLY 7 -6.512 -17.352 -9.895
29 HA3 GLY 7 2HA GLY 7 -4.787 -17.023 -9.824
30 H GLU 8 H GLU 8 -7.474 -17.710 -11.841
31 HA GLU 8 HA GLU 8 -6.199 -18.556 -14.183
32 HB2 GLU 8 1HB GLU 8 -8.785 -17.190 -13.577
33 HB3 GLU 8 2HB GLU 8 -8.254 -17.280 -15.250
34 HG2 GLU 8 1HG GLU 8 -9.711 -19.116 -14.817
35 HG3 GLU 8 2HG GLU 8 -8.073 -19.738 -15.011
36 H GLY 9 H GLY 9 -7.073 -15.267 -13.131
37 HA2 GLY 9 1HA GLY 9 -4.949 -14.250 -14.900
38 HA3 GLY 9 2HA GLY 9 -6.550 -13.527 -14.948
39 H GLU 10 H GLU 10 -4.984 -11.649 -14.469
40 HA GLU 10 HA GLU 10 -4.484 -11.434 -11.583
41 HB2 GLU 10 1HB GLU 10 -2.897 -9.745 -12.056
42 HB3 GLU 10 2HB GLU 10 -2.625 -11.001 -13.256
43 HG2 GLU 10 1HG GLU 10 -4.387 -8.666 -13.869
44 HG3 GLU 10 2HG GLU 10 -2.633 -8.534 -13.994
45 H LYS 11 H LYS 11 -5.304 -9.747 -10.372
46 HA LYS 11 HA LYS 11 -7.836 -8.756 -11.096
47 HB2 LYS 11 1HB LYS 11 -5.921 -8.221 -8.864
48 HB3 LYS 11 2HB LYS 11 -7.293 -7.143 -9.081
49 HG2 LYS 11 1HG LYS 11 -8.089 -8.688 -7.564
50 HG3 LYS 11 2HG LYS 11 -8.698 -9.309 -9.100
51 HD2 LYS 11 1HD LYS 11 -6.937 -10.938 -9.205
52 HD3 LYS 11 2HD LYS 11 -6.145 -10.240 -7.790
53 HE2 LYS 11 1HE LYS 11 -8.958 -11.246 -7.611
54 HE3 LYS 11 2HE LYS 11 -7.605 -12.372 -7.525
55 HZ1 LYS 11 3HZ LYS 11 -7.787 -11.880 -5.341
56 HZ2 LYS 11 1HZ LYS 11 -8.468 -10.354 -5.608
57 HZ3 LYS 11 2HZ LYS 11 -6.799 -10.576 -5.772
58 HA PRO 12 HA PRO 12 -6.905 -5.172 -13.470
59 HB2 PRO 12 1HB PRO 12 -9.130 -3.702 -12.963
60 HB3 PRO 12 2HB PRO 12 -9.138 -5.126 -14.010
61 HG2 PRO 12 1HG PRO 12 -9.960 -4.878 -11.142
62 HG3 PRO 12 2HG PRO 12 -10.759 -5.750 -12.464
63 HD2 PRO 12 1HD PRO 12 -9.217 -6.996 -10.619
64 HD3 PRO 12 2HD PRO 12 -9.337 -7.557 -12.299
65 H TYR 13 H TYR 13 -7.467 -5.009 -10.059
66 HA TYR 13 HA TYR 13 -6.283 -2.313 -9.974
67 HB2 TYR 13 1HB TYR 13 -8.205 -3.718 -8.135
68 HB3 TYR 13 2HB TYR 13 -7.248 -2.351 -7.575
69 HD1 TYR 13 HD1 TYR 13 -9.974 -3.413 -9.781
70 HD2 TYR 13 HD2 TYR 13 -7.685 -0.108 -8.388
71 HE1 TYR 13 HE1 TYR 13 -11.642 -1.870 -10.721
72 HE2 TYR 13 HE2 TYR 13 -9.348 1.444 -9.322
73 HH TYR 13 HH TYR 13 -11.571 0.631 -11.555
74 H GLN 14 H GLN 14 -4.412 -4.092 -10.383
75 HA GLN 14 HA GLN 14 -3.322 -4.830 -7.753
76 HB2 GLN 14 1HB GLN 14 -3.639 -6.654 -9.443
77 HB3 GLN 14 2HB GLN 14 -2.454 -5.847 -10.462
78 HG2 GLN 14 1HG GLN 14 -0.925 -6.026 -8.371
79 HG3 GLN 14 2HG GLN 14 -2.063 -7.278 -7.875
80 HE21 GLN 14 1HE2 GLN 14 -0.284 -8.745 -8.016
81 HE22 GLN 14 2HE2 GLN 14 0.196 -9.385 -9.547
82 H CYS 15 H CYS 15 -1.825 -3.519 -6.969
83 HA CYS 15 HA CYS 15 -0.695 -1.357 -8.269
84 HB2 CYS 15 1HB CYS 15 -0.730 -1.878 -5.767
85 HB3 CYS 15 2HB CYS 15 0.705 -2.854 -6.058
86 H SER 16 H SER 16 0.494 -1.399 -10.057
87 HA SER 16 HA SER 16 2.203 -3.647 -10.675
88 HB2 SER 16 1HB SER 16 2.627 -2.447 -12.792
89 HB3 SER 16 2HB SER 16 0.901 -2.597 -12.464
90 HG SER 16 HG SER 16 2.274 -0.308 -11.598
91 H GLU 17 H GLU 17 2.965 -2.228 -8.341
92 HA GLU 17 HA GLU 17 5.569 -1.157 -9.210
93 HB2 GLU 17 1HB GLU 17 3.690 -0.159 -7.092
94 HB3 GLU 17 2HB GLU 17 5.417 0.147 -6.964
95 HG2 GLU 17 1HG GLU 17 3.609 0.999 -9.213
96 HG3 GLU 17 2HG GLU 17 4.309 2.035 -7.971
97 H CYS 18 H CYS 18 3.796 -2.724 -6.563
98 HA CYS 18 HA CYS 18 6.331 -3.938 -5.681
99 HB2 CYS 18 1HB CYS 18 4.996 -4.356 -3.522
100 HB3 CYS 18 2HB CYS 18 5.510 -2.706 -3.857
101 H GLY 19 H GLY 19 2.834 -4.636 -5.851
102 HA2 GLY 19 1HA GLY 19 2.381 -6.692 -7.277
103 HA3 GLY 19 2HA GLY 19 3.528 -7.483 -6.206
104 H LYS 20 H LYS 20 0.686 -5.361 -5.811
105 HA LYS 20 HA LYS 20 -0.621 -7.426 -4.229
106 HB2 LYS 20 1HB LYS 20 -1.118 -5.768 -2.405
107 HB3 LYS 20 2HB LYS 20 0.560 -6.288 -2.494
108 HG2 LYS 20 1HG LYS 20 0.788 -4.131 -3.993
109 HG3 LYS 20 2HG LYS 20 -0.645 -3.639 -3.087
110 HD2 LYS 20 1HD LYS 20 1.958 -4.557 -1.865
111 HD3 LYS 20 2HD LYS 20 1.452 -2.875 -2.036
112 HE2 LYS 20 1HE LYS 20 0.785 -3.292 0.116
113 HE3 LYS 20 2HE LYS 20 -0.681 -3.727 -0.761
114 HZ1 LYS 20 3HZ LYS 20 -0.138 -5.404 0.870
115 HZ2 LYS 20 1HZ LYS 20 1.402 -5.613 0.200
116 HZ3 LYS 20 2HZ LYS 20 0.029 -6.049 -0.685
117 H SER 21 H SER 21 -2.859 -7.216 -4.125
118 HA SER 21 HA SER 21 -3.980 -5.140 -5.890
119 HB2 SER 21 1HB SER 21 -4.264 -7.378 -6.813
120 HB3 SER 21 2HB SER 21 -5.002 -7.932 -5.310
121 HG SER 21 HG SER 21 -6.657 -6.324 -5.709
122 H PHE 22 H PHE 22 -6.027 -4.240 -5.344
123 HA PHE 22 HA PHE 22 -6.858 -4.610 -2.550
124 HB2 PHE 22 1HB PHE 22 -6.666 -1.900 -3.870
125 HB3 PHE 22 2HB PHE 22 -7.022 -2.247 -2.181
126 HD1 PHE 22 HD2 PHE 22 -5.072 -3.887 -1.139
127 HD2 PHE 22 HD1 PHE 22 -4.603 -0.993 -4.224
128 HE1 PHE 22 HE2 PHE 22 -2.678 -3.704 -0.598
129 HE2 PHE 22 HE1 PHE 22 -2.208 -0.806 -3.689
130 HZ PHE 22 HZ PHE 22 -1.244 -2.161 -1.873
131 H SER 23 H SER 23 -9.017 -3.424 -2.170
132 HA SER 23 HA SER 23 -10.776 -4.080 -4.432
133 HB2 SER 23 1HB SER 23 -11.183 -4.073 -1.452
134 HB3 SER 23 2HB SER 23 -12.562 -4.000 -2.548
135 HG SER 23 HG SER 23 -10.578 -6.025 -2.419
136 H GLY 24 H GLY 24 -10.183 -1.964 -5.365
137 HA2 GLY 24 1HA GLY 24 -11.964 -0.107 -5.646
138 HA3 GLY 24 2HA GLY 24 -11.462 0.314 -4.015
139 H SER 25 H SER 25 -11.303 2.069 -6.205
140 HA SER 25 HA SER 25 -8.606 2.108 -7.200
141 HB2 SER 25 1HB SER 25 -9.248 4.241 -8.237
142 HB3 SER 25 2HB SER 25 -10.466 3.003 -8.541
143 HG SER 25 HG SER 25 -11.799 4.405 -7.730
144 H TYR 26 H TYR 26 -10.474 4.215 -5.014
145 HA TYR 26 HA TYR 26 -8.587 6.025 -4.272
146 HB2 TYR 26 1HB TYR 26 -10.943 5.953 -3.450
147 HB3 TYR 26 2HB TYR 26 -10.477 4.673 -2.335
148 HD1 TYR 26 HD1 TYR 26 -9.389 8.123 -3.288
149 HD2 TYR 26 HD2 TYR 26 -9.963 5.284 -0.173
150 HE1 TYR 26 HE1 TYR 26 -8.727 9.817 -1.632
151 HE2 TYR 26 HE2 TYR 26 -9.304 6.969 1.493
152 HH TYR 26 HH TYR 26 -8.101 10.133 0.529
153 H ARG 27 H ARG 27 -9.013 2.787 -2.870
154 HA ARG 27 HA ARG 27 -7.007 2.917 -0.944
155 HB2 ARG 27 1HB ARG 27 -8.751 1.103 -1.248
156 HB3 ARG 27 2HB ARG 27 -7.721 0.440 -2.510
157 HG2 ARG 27 1HG ARG 27 -7.271 -0.780 -0.536
158 HG3 ARG 27 2HG ARG 27 -5.891 0.288 -0.802
159 HD2 ARG 27 1HD ARG 27 -6.458 0.351 1.525
160 HD3 ARG 27 2HD ARG 27 -6.907 1.895 0.802
161 HE ARG 27 HE ARG 27 -9.121 0.157 0.759
162 HH11 ARG 27 1HH1 ARG 27 -7.182 2.010 2.979
163 HH12 ARG 27 2HH1 ARG 27 -8.466 2.230 4.121
164 HH21 ARG 27 1HH2 ARG 27 -10.819 0.439 2.255
165 HH22 ARG 27 2HH2 ARG 27 -10.534 1.335 3.709
166 H LEU 28 H LEU 28 -6.813 1.686 -4.280
167 HA LEU 28 HA LEU 28 -4.130 0.976 -4.294
168 HB2 LEU 28 1HB LEU 28 -5.835 0.518 -6.073
169 HB3 LEU 28 2HB LEU 28 -5.626 2.182 -6.614
170 HG LEU 28 HG LEU 28 -3.126 1.513 -6.863
171 HD11 LEU 28 1HD1 LEU 28 -2.795 -0.574 -6.069
172 HD12 LEU 28 2HD1 LEU 28 -3.308 -1.029 -7.694
173 HD13 LEU 28 3HD1 LEU 28 -4.462 -1.071 -6.361
174 HD21 LEU 28 3HD2 LEU 28 -4.673 0.116 -8.932
175 HD22 LEU 28 1HD2 LEU 28 -3.528 1.451 -9.072
176 HD23 LEU 28 2HD2 LEU 28 -5.197 1.768 -8.597
177 H THR 29 H THR 29 -5.491 4.008 -5.598
178 HA THR 29 HA THR 29 -3.178 5.354 -6.153
179 HB THR 29 HB THR 29 -4.406 7.463 -5.747
180 HG1 THR 29 HG1 THR 29 -6.402 5.718 -4.692
181 HG21 THR 29 3HG2 THR 29 -4.892 6.696 -7.860
182 HG22 THR 29 1HG2 THR 29 -6.507 6.732 -7.154
183 HG23 THR 29 2HG2 THR 29 -5.629 5.207 -7.269
184 H GLN 30 H GLN 30 -4.940 5.535 -3.054
185 HA GLN 30 HA GLN 30 -3.276 7.160 -1.630
186 HB2 GLN 30 1HB GLN 30 -4.775 4.708 -0.713
187 HB3 GLN 30 2HB GLN 30 -3.967 5.807 0.397
188 HG2 GLN 30 1HG GLN 30 -6.037 6.748 -1.559
189 HG3 GLN 30 2HG GLN 30 -6.457 6.132 0.038
190 HE21 GLN 30 1HE2 GLN 30 -5.856 8.856 -1.679
191 HE22 GLN 30 2HE2 GLN 30 -5.404 9.920 -0.395
192 H HIS 31 H HIS 31 -2.973 3.617 -1.865
193 HA HIS 31 HA HIS 31 -0.595 3.413 -0.386
194 HB2 HIS 31 1HB HIS 31 -1.711 1.388 -0.664
195 HB3 HIS 31 2HB HIS 31 -1.969 1.651 -2.386
196 HD1 HIS 31 HD1 HIS 31 0.778 0.717 0.040
197 HD2 HIS 31 HD2 HIS 31 -0.076 0.538 -4.022
198 HE1 HIS 31 HE1 HIS 31 2.614 -0.671 -0.973
199 H TRP 32 H TRP 32 -1.056 3.346 -3.923
200 HA TRP 32 HA TRP 32 1.464 3.153 -4.846
201 HB2 TRP 32 1HB TRP 32 -0.841 4.824 -5.775
202 HB3 TRP 32 2HB TRP 32 0.712 4.968 -6.594
203 HD1 TRP 32 HD1 TRP 32 -1.210 1.813 -5.376
204 HE1 TRP 32 HE1 TRP 32 -1.387 0.187 -7.363
205 HE3 TRP 32 HE3 TRP 32 1.066 4.661 -8.960
206 HZ2 TRP 32 HZ2 TRP 32 -0.658 0.121 -10.090
207 HZ3 TRP 32 HZ3 TRP 32 1.286 3.743 -11.232
208 HH2 TRP 32 HH2 TRP 32 0.442 1.519 -11.783
209 H ILE 33 H ILE 33 0.181 5.811 -3.034
210 HA ILE 33 HA ILE 33 1.895 7.879 -3.676
211 HB ILE 33 HB ILE 33 0.837 7.176 -0.936
212 HG12 ILE 33 1HG1 ILE 33 -0.869 7.481 -2.753
213 HG13 ILE 33 2HG1 ILE 33 -1.002 8.641 -1.435
214 HG21 ILE 33 1HG2 ILE 33 2.089 9.687 -2.021
215 HG22 ILE 33 2HG2 ILE 33 1.103 9.659 -0.560
216 HG23 ILE 33 3HG2 ILE 33 2.598 8.727 -0.632
217 HD11 ILE 33 3HD1 ILE 33 0.185 10.296 -2.812
218 HD12 ILE 33 1HD1 ILE 33 0.222 9.134 -4.138
219 HD13 ILE 33 2HD1 ILE 33 -1.322 9.748 -3.545
220 H THR 34 H THR 34 2.395 5.268 -1.322
221 HA THR 34 HA THR 34 4.820 6.060 -0.257
222 HB THR 34 HB THR 34 3.465 4.097 0.509
223 HG1 THR 34 HG1 THR 34 5.494 2.759 0.805
224 HG21 THR 34 3HG2 THR 34 3.338 3.178 -1.905
225 HG22 THR 34 1HG2 THR 34 3.519 2.034 -0.576
226 HG23 THR 34 2HG2 THR 34 4.918 2.476 -1.555
227 H HIS 35 H HIS 35 4.130 4.614 -3.360
228 HA HIS 35 HA HIS 35 6.846 3.947 -3.976
229 HB2 HIS 35 1HB HIS 35 4.391 4.217 -5.720
230 HB3 HIS 35 2HB HIS 35 5.956 3.661 -6.306
231 HD1 HIS 35 HD1 HIS 35 6.737 1.727 -4.073
232 HD2 HIS 35 HD2 HIS 35 2.931 1.928 -5.727
233 HE1 HIS 35 HE1 HIS 35 5.690 -0.516 -3.628
234 H THR 36 H THR 36 4.733 6.693 -4.571
235 HA THR 36 HA THR 36 6.787 8.034 -6.151
236 HB THR 36 HB THR 36 4.224 8.076 -6.630
237 HG1 THR 36 HG1 THR 36 5.940 10.345 -6.688
238 HG21 THR 36 3HG2 THR 36 4.029 9.072 -4.145
239 HG22 THR 36 1HG2 THR 36 2.877 9.451 -5.424
240 HG23 THR 36 2HG2 THR 36 4.181 10.578 -5.050
241 H ARG 37 H ARG 37 6.620 7.511 -3.057
242 HA ARG 37 HA ARG 37 7.266 10.277 -2.271
243 HB2 ARG 37 1HB ARG 37 5.913 8.047 -0.805
244 HB3 ARG 37 2HB ARG 37 6.834 9.237 0.105
245 HG2 ARG 37 1HG ARG 37 5.388 10.923 -1.328
246 HG3 ARG 37 2HG ARG 37 4.294 9.540 -1.394
247 HD2 ARG 37 1HD ARG 37 3.565 10.614 0.509
248 HD3 ARG 37 2HD ARG 37 4.705 9.448 1.178
249 HE ARG 37 HE ARG 37 5.880 12.001 0.573
250 HH11 ARG 37 1HH1 ARG 37 4.161 10.128 2.952
251 HH12 ARG 37 2HH1 ARG 37 4.720 11.074 4.291
252 HH21 ARG 37 1HH2 ARG 37 6.623 13.254 2.328
253 HH22 ARG 37 2HH2 ARG 37 6.120 12.852 3.935
254 H GLU 38 H GLU 38 9.389 10.563 -2.146
255 HA GLU 38 HA GLU 38 11.432 8.846 -2.277
256 HB2 GLU 38 1HB GLU 38 11.383 11.442 -1.864
257 HB3 GLU 38 2HB GLU 38 11.666 10.979 -0.192
258 HG2 GLU 38 1HG GLU 38 13.764 11.458 -1.228
259 HG3 GLU 38 2HG GLU 38 13.667 9.725 -0.921
260 H LYS 39 H LYS 39 12.725 7.609 -0.904
261 HA LYS 39 HA LYS 39 11.875 7.223 1.854
262 HB2 LYS 39 1HB LYS 39 11.434 4.913 1.686
263 HB3 LYS 39 2HB LYS 39 10.562 5.642 0.344
264 HG2 LYS 39 1HG LYS 39 12.377 4.999 -1.173
265 HG3 LYS 39 2HG LYS 39 13.223 4.241 0.178
266 HD2 LYS 39 1HD LYS 39 11.124 2.840 0.502
267 HD3 LYS 39 2HD LYS 39 10.611 3.435 -1.079
268 HE2 LYS 39 1HE LYS 39 12.745 2.563 -2.022
269 HE3 LYS 39 2HE LYS 39 13.101 1.853 -0.448
270 HZ1 LYS 39 3HZ LYS 39 10.496 1.137 -1.343
271 HZ2 LYS 39 1HZ LYS 39 11.786 0.140 -0.889
272 HZ3 LYS 39 2HZ LYS 39 11.667 0.696 -2.482
273 HA PRO 40 HA PRO 40 16.203 6.761 2.476
274 HB2 PRO 40 1HB PRO 40 16.186 5.390 4.819
275 HB3 PRO 40 2HB PRO 40 15.775 7.105 4.707
276 HG2 PRO 40 1HG PRO 40 13.962 4.728 4.860
277 HG3 PRO 40 2HG PRO 40 13.836 6.287 5.697
278 HD2 PRO 40 1HD PRO 40 12.379 5.695 3.493
279 HD3 PRO 40 2HD PRO 40 12.929 7.342 3.859
280 H SER 41 H SER 41 17.821 5.334 2.036
281 HA SER 41 HA SER 41 17.206 2.896 0.776
282 HB2 SER 41 1HB SER 41 19.626 2.538 0.685
283 HB3 SER 41 2HB SER 41 19.239 4.210 0.281
284 HG SER 41 HG SER 41 19.767 3.614 2.953
285 H GLY 42 H GLY 42 17.029 0.858 1.497
286 HA2 GLY 42 1HA GLY 42 18.216 -0.003 3.974
287 HA3 GLY 42 2HA GLY 42 16.471 0.175 4.075
288 HA PRO 43 HA PRO 43 15.874 -3.825 2.399
289 HB2 PRO 43 1HB PRO 43 13.697 -3.492 0.812
290 HB3 PRO 43 2HB PRO 43 13.612 -3.467 2.577
291 HG2 PRO 43 1HG PRO 43 13.689 -1.175 0.653
292 HG3 PRO 43 2HG PRO 43 12.684 -1.390 2.098
293 HD2 PRO 43 1HD PRO 43 14.913 0.147 2.089
294 HD3 PRO 43 2HD PRO 43 14.377 -0.749 3.525
295 H SER 44 H SER 44 17.046 -4.857 0.919
296 HA SER 44 HA SER 44 18.345 -3.774 -1.227
297 HB2 SER 44 1HB SER 44 18.691 -6.074 -0.243
298 HB3 SER 44 2HB SER 44 17.305 -6.613 -1.191
299 HG SER 44 HG SER 44 19.584 -6.786 -2.086
300 H SER 45 H SER 45 15.253 -5.539 -1.356
301 HA SER 45 HA SER 45 14.813 -5.155 -4.110
302 HB2 SER 45 1HB SER 45 12.477 -5.787 -3.624
303 HB3 SER 45 2HB SER 45 13.619 -6.865 -2.821
304 HG SER 45 HG SER 45 12.541 -4.608 -1.509
305 H GLY 46 H GLY 46 13.536 -3.682 -5.237
306 HA2 GLY 46 1HA GLY 46 12.548 -1.349 -3.753
307 HA3 GLY 46 2HA GLY 46 13.711 -1.091 -5.045
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -17.057 -25.191 -34.979
2 HA2 GLY 1 1HA GLY 1 -15.018 -25.093 -33.891
3 HA3 GLY 1 2HA GLY 1 -14.377 -24.187 -35.254
4 H SER 2 H SER 2 -15.117 -24.019 -32.042
5 HA SER 2 HA SER 2 -15.014 -21.093 -32.108
6 HB2 SER 2 1HB SER 2 -16.783 -20.841 -30.505
7 HB3 SER 2 2HB SER 2 -17.402 -21.854 -31.809
8 HG SER 2 HG SER 2 -16.658 -23.656 -30.362
9 H SER 3 H SER 3 -13.856 -20.169 -30.466
10 HA SER 3 HA SER 3 -12.535 -22.042 -28.616
11 HB2 SER 3 1HB SER 3 -10.656 -20.448 -28.567
12 HB3 SER 3 2HB SER 3 -10.989 -20.995 -30.210
13 HG SER 3 HG SER 3 -11.688 -18.518 -29.025
14 H GLY 4 H GLY 4 -11.593 -20.708 -26.648
15 HA2 GLY 4 1HA GLY 4 -13.264 -18.559 -25.716
16 HA3 GLY 4 2HA GLY 4 -13.614 -20.090 -24.927
17 H SER 5 H SER 5 -12.637 -17.722 -23.660
18 HA SER 5 HA SER 5 -10.198 -18.836 -22.492
19 HB2 SER 5 1HB SER 5 -10.460 -16.011 -23.542
20 HB3 SER 5 2HB SER 5 -9.176 -16.535 -22.453
21 HG SER 5 HG SER 5 -9.713 -17.741 -24.963
22 H SER 6 H SER 6 -9.683 -17.903 -20.385
23 HA SER 6 HA SER 6 -11.538 -16.201 -19.048
24 HB2 SER 6 1HB SER 6 -11.792 -19.166 -18.744
25 HB3 SER 6 2HB SER 6 -12.061 -18.143 -17.332
26 HG SER 6 HG SER 6 -13.324 -17.405 -19.701
27 H GLY 7 H GLY 7 -10.603 -15.296 -17.298
28 HA2 GLY 7 1HA GLY 7 -8.340 -16.670 -16.031
29 HA3 GLY 7 2HA GLY 7 -8.070 -15.072 -16.711
30 H GLU 8 H GLU 8 -10.621 -16.570 -14.715
31 HA GLU 8 HA GLU 8 -10.893 -14.152 -13.170
32 HB2 GLU 8 1HB GLU 8 -12.186 -16.867 -12.854
33 HB3 GLU 8 2HB GLU 8 -12.611 -15.437 -11.923
34 HG2 GLU 8 1HG GLU 8 -13.221 -14.305 -14.045
35 HG3 GLU 8 2HG GLU 8 -12.929 -15.825 -14.889
36 H GLY 9 H GLY 9 -8.842 -13.938 -12.195
37 HA2 GLY 9 1HA GLY 9 -8.589 -15.469 -9.737
38 HA3 GLY 9 2HA GLY 9 -7.256 -15.637 -10.871
39 H GLU 10 H GLU 10 -7.070 -13.057 -11.855
40 HA GLU 10 HA GLU 10 -6.176 -11.616 -9.451
41 HB2 GLU 10 1HB GLU 10 -5.225 -11.352 -12.309
42 HB3 GLU 10 2HB GLU 10 -4.597 -10.451 -10.936
43 HG2 GLU 10 1HG GLU 10 -4.521 -13.449 -11.098
44 HG3 GLU 10 2HG GLU 10 -3.225 -12.415 -11.697
45 H LYS 11 H LYS 11 -6.897 -9.606 -9.019
46 HA LYS 11 HA LYS 11 -9.198 -8.646 -10.420
47 HB2 LYS 11 1HB LYS 11 -7.570 -7.564 -8.126
48 HB3 LYS 11 2HB LYS 11 -8.930 -6.681 -8.806
49 HG2 LYS 11 1HG LYS 11 -10.323 -8.745 -8.346
50 HG3 LYS 11 2HG LYS 11 -8.956 -9.330 -7.394
51 HD2 LYS 11 1HD LYS 11 -9.095 -7.425 -5.929
52 HD3 LYS 11 2HD LYS 11 -10.340 -6.688 -6.941
53 HE2 LYS 11 1HE LYS 11 -11.636 -7.619 -5.295
54 HE3 LYS 11 2HE LYS 11 -11.606 -8.939 -6.463
55 HZ1 LYS 11 3HZ LYS 11 -10.817 -10.207 -4.844
56 HZ2 LYS 11 1HZ LYS 11 -10.636 -8.888 -3.799
57 HZ3 LYS 11 2HZ LYS 11 -9.389 -9.299 -4.866
58 HA PRO 12 HA PRO 12 -7.395 -5.874 -13.307
59 HB2 PRO 12 1HB PRO 12 -9.234 -3.877 -13.344
60 HB3 PRO 12 2HB PRO 12 -9.525 -5.464 -14.065
61 HG2 PRO 12 1HG PRO 12 -10.406 -4.399 -11.410
62 HG3 PRO 12 2HG PRO 12 -11.322 -5.351 -12.593
63 HD2 PRO 12 1HD PRO 12 -10.209 -6.452 -10.384
64 HD3 PRO 12 2HD PRO 12 -10.375 -7.340 -11.912
65 H TYR 13 H TYR 13 -7.488 -5.216 -10.067
66 HA TYR 13 HA TYR 13 -6.138 -2.620 -10.417
67 HB2 TYR 13 1HB TYR 13 -7.721 -3.653 -8.058
68 HB3 TYR 13 2HB TYR 13 -6.792 -2.158 -8.050
69 HD1 TYR 13 HD1 TYR 13 -9.777 -3.837 -9.374
70 HD2 TYR 13 HD2 TYR 13 -7.582 -0.196 -9.213
71 HE1 TYR 13 HE1 TYR 13 -11.719 -2.634 -10.284
72 HE2 TYR 13 HE2 TYR 13 -9.519 1.018 -10.122
73 HH TYR 13 HH TYR 13 -11.994 0.719 -10.231
74 H GLN 14 H GLN 14 -4.159 -3.789 -10.812
75 HA GLN 14 HA GLN 14 -2.982 -4.919 -8.358
76 HB2 GLN 14 1HB GLN 14 -3.187 -6.583 -10.143
77 HB3 GLN 14 2HB GLN 14 -2.295 -5.535 -11.237
78 HG2 GLN 14 1HG GLN 14 -0.402 -5.670 -9.523
79 HG3 GLN 14 2HG GLN 14 -1.294 -7.030 -8.844
80 HE21 GLN 14 1HE2 GLN 14 1.283 -7.231 -9.903
81 HE22 GLN 14 2HE2 GLN 14 1.221 -8.229 -11.311
82 H CYS 15 H CYS 15 -1.712 -3.456 -7.431
83 HA CYS 15 HA CYS 15 -0.680 -1.157 -8.541
84 HB2 CYS 15 1HB CYS 15 -0.749 -1.693 -6.106
85 HB3 CYS 15 2HB CYS 15 0.619 -2.776 -6.341
86 H SER 16 H SER 16 0.497 -1.065 -10.345
87 HA SER 16 HA SER 16 2.452 -3.109 -10.966
88 HB2 SER 16 1HB SER 16 0.948 -2.070 -12.699
89 HB3 SER 16 2HB SER 16 1.860 -0.573 -12.505
90 HG SER 16 HG SER 16 2.764 -1.693 -14.195
91 H GLU 17 H GLU 17 3.172 -1.852 -8.646
92 HA GLU 17 HA GLU 17 5.596 -0.421 -9.485
93 HB2 GLU 17 1HB GLU 17 3.519 0.463 -7.545
94 HB3 GLU 17 2HB GLU 17 5.198 0.795 -7.146
95 HG2 GLU 17 1HG GLU 17 5.378 1.834 -9.458
96 HG3 GLU 17 2HG GLU 17 3.618 1.765 -9.501
97 H CYS 18 H CYS 18 3.948 -2.417 -7.118
98 HA CYS 18 HA CYS 18 6.569 -3.385 -6.203
99 HB2 CYS 18 1HB CYS 18 5.735 -3.539 -3.910
100 HB3 CYS 18 2HB CYS 18 5.653 -1.878 -4.487
101 H GLY 19 H GLY 19 3.075 -4.027 -6.316
102 HA2 GLY 19 1HA GLY 19 2.514 -6.158 -7.504
103 HA3 GLY 19 2HA GLY 19 3.717 -6.908 -6.466
104 H LYS 20 H LYS 20 0.938 -4.722 -5.988
105 HA LYS 20 HA LYS 20 -0.161 -6.663 -4.080
106 HB2 LYS 20 1HB LYS 20 0.256 -3.713 -3.594
107 HB3 LYS 20 2HB LYS 20 -0.814 -4.709 -2.615
108 HG2 LYS 20 1HG LYS 20 1.252 -6.197 -2.252
109 HG3 LYS 20 2HG LYS 20 2.168 -4.806 -2.838
110 HD2 LYS 20 1HD LYS 20 2.173 -4.348 -0.600
111 HD3 LYS 20 2HD LYS 20 0.674 -3.535 -1.059
112 HE2 LYS 20 1HE LYS 20 -0.655 -5.195 -0.143
113 HE3 LYS 20 2HE LYS 20 0.623 -6.406 -0.226
114 HZ1 LYS 20 3HZ LYS 20 0.728 -4.061 1.586
115 HZ2 LYS 20 1HZ LYS 20 1.725 -5.428 1.606
116 HZ3 LYS 20 2HZ LYS 20 0.099 -5.561 2.050
117 H SER 21 H SER 21 -2.284 -7.009 -4.315
118 HA SER 21 HA SER 21 -3.713 -5.414 -6.300
119 HB2 SER 21 1HB SER 21 -3.865 -7.763 -6.695
120 HB3 SER 21 2HB SER 21 -4.287 -8.087 -5.013
121 HG SER 21 HG SER 21 -6.278 -7.875 -5.610
122 H PHE 22 H PHE 22 -5.645 -4.367 -5.906
123 HA PHE 22 HA PHE 22 -6.618 -4.296 -3.142
124 HB2 PHE 22 1HB PHE 22 -5.878 -1.881 -4.803
125 HB3 PHE 22 2HB PHE 22 -6.835 -1.799 -3.327
126 HD1 PHE 22 HD1 PHE 22 -3.530 -2.786 -4.672
127 HD2 PHE 22 HD2 PHE 22 -5.806 -1.757 -1.226
128 HE1 PHE 22 HE1 PHE 22 -1.462 -2.669 -3.345
129 HE2 PHE 22 HE2 PHE 22 -3.742 -1.637 0.106
130 HZ PHE 22 HZ PHE 22 -1.565 -2.093 -0.953
131 H SER 23 H SER 23 -8.771 -4.371 -3.004
132 HA SER 23 HA SER 23 -10.331 -4.554 -5.407
133 HB2 SER 23 1HB SER 23 -12.227 -4.963 -3.834
134 HB3 SER 23 2HB SER 23 -10.853 -6.035 -3.561
135 HG SER 23 HG SER 23 -11.832 -3.947 -1.988
136 H GLY 24 H GLY 24 -9.350 -2.101 -5.561
137 HA2 GLY 24 1HA GLY 24 -11.579 -0.443 -5.817
138 HA3 GLY 24 2HA GLY 24 -10.824 -0.056 -4.278
139 H SER 25 H SER 25 -11.087 1.712 -6.498
140 HA SER 25 HA SER 25 -8.489 1.874 -7.763
141 HB2 SER 25 1HB SER 25 -9.405 3.869 -8.881
142 HB3 SER 25 2HB SER 25 -10.501 2.495 -9.029
143 HG SER 25 HG SER 25 -11.846 3.398 -7.554
144 H TYR 26 H TYR 26 -10.357 3.744 -5.397
145 HA TYR 26 HA TYR 26 -8.489 5.789 -4.983
146 HB2 TYR 26 1HB TYR 26 -10.949 5.552 -4.162
147 HB3 TYR 26 2HB TYR 26 -10.231 4.759 -2.764
148 HD1 TYR 26 HD1 TYR 26 -9.993 7.899 -4.764
149 HD2 TYR 26 HD2 TYR 26 -9.514 6.042 -0.965
150 HE1 TYR 26 HE1 TYR 26 -9.553 10.097 -3.751
151 HE2 TYR 26 HE2 TYR 26 -9.074 8.235 0.058
152 HH TYR 26 HH TYR 26 -8.097 10.703 -1.233
153 H ARG 27 H ARG 27 -9.077 2.896 -2.978
154 HA ARG 27 HA ARG 27 -7.095 3.155 -1.128
155 HB2 ARG 27 1HB ARG 27 -8.830 1.261 -1.473
156 HB3 ARG 27 2HB ARG 27 -7.573 0.490 -2.431
157 HG2 ARG 27 1HG ARG 27 -7.425 -0.414 -0.255
158 HG3 ARG 27 2HG ARG 27 -6.067 0.700 -0.430
159 HD2 ARG 27 1HD ARG 27 -7.005 2.271 0.985
160 HD3 ARG 27 2HD ARG 27 -8.643 1.665 0.736
161 HE ARG 27 HE ARG 27 -6.701 0.709 2.647
162 HH11 ARG 27 1HH1 ARG 27 -9.627 0.014 0.894
163 HH12 ARG 27 2HH1 ARG 27 -10.178 -1.176 2.026
164 HH21 ARG 27 1HH2 ARG 27 -7.415 -0.856 4.145
165 HH22 ARG 27 2HH2 ARG 27 -8.919 -1.669 3.876
166 H LEU 28 H LEU 28 -6.753 1.855 -4.408
167 HA LEU 28 HA LEU 28 -4.097 1.042 -4.276
168 HB2 LEU 28 1HB LEU 28 -5.761 0.674 -6.143
169 HB3 LEU 28 2HB LEU 28 -5.377 2.305 -6.687
170 HG LEU 28 HG LEU 28 -2.909 1.330 -6.664
171 HD11 LEU 28 1HD1 LEU 28 -4.456 -0.961 -6.118
172 HD12 LEU 28 2HD1 LEU 28 -2.729 -0.868 -6.458
173 HD13 LEU 28 3HD1 LEU 28 -3.874 -1.115 -7.776
174 HD21 LEU 28 3HD2 LEU 28 -3.749 2.267 -8.634
175 HD22 LEU 28 1HD2 LEU 28 -5.039 1.071 -8.762
176 HD23 LEU 28 2HD2 LEU 28 -3.368 0.602 -9.077
177 H THR 29 H THR 29 -5.389 4.179 -5.362
178 HA THR 29 HA THR 29 -2.941 5.425 -5.855
179 HB THR 29 HB THR 29 -5.503 6.722 -4.905
180 HG1 THR 29 HG1 THR 29 -5.437 7.137 -7.368
181 HG21 THR 29 3HG2 THR 29 -3.357 8.083 -4.781
182 HG22 THR 29 1HG2 THR 29 -4.666 8.769 -5.742
183 HG23 THR 29 2HG2 THR 29 -3.308 7.977 -6.540
184 H GLN 30 H GLN 30 -4.798 5.110 -2.874
185 HA GLN 30 HA GLN 30 -3.315 6.900 -1.299
186 HB2 GLN 30 1HB GLN 30 -5.158 4.627 -0.766
187 HB3 GLN 30 2HB GLN 30 -4.140 5.170 0.560
188 HG2 GLN 30 1HG GLN 30 -5.823 7.083 -1.015
189 HG3 GLN 30 2HG GLN 30 -6.472 6.177 0.352
190 HE21 GLN 30 1HE2 GLN 30 -6.648 8.734 0.685
191 HE22 GLN 30 2HE2 GLN 30 -5.429 9.366 1.734
192 H HIS 31 H HIS 31 -2.891 3.455 -1.965
193 HA HIS 31 HA HIS 31 -0.669 3.162 -0.182
194 HB2 HIS 31 1HB HIS 31 -1.706 1.129 -0.506
195 HB3 HIS 31 2HB HIS 31 -2.028 1.444 -2.209
196 HD1 HIS 31 HD1 HIS 31 0.989 0.734 0.001
197 HD2 HIS 31 HD2 HIS 31 -0.382 0.084 -3.866
198 HE1 HIS 31 HE1 HIS 31 2.739 -0.698 -1.101
199 H TRP 32 H TRP 32 -1.040 3.539 -3.685
200 HA TRP 32 HA TRP 32 1.490 3.163 -4.599
201 HB2 TRP 32 1HB TRP 32 -0.692 5.035 -5.383
202 HB3 TRP 32 2HB TRP 32 0.896 5.281 -6.104
203 HD1 TRP 32 HD1 TRP 32 -1.036 1.974 -5.437
204 HE1 TRP 32 HE1 TRP 32 -1.155 0.673 -7.654
205 HE3 TRP 32 HE3 TRP 32 1.273 5.362 -8.491
206 HZ2 TRP 32 HZ2 TRP 32 -0.373 1.034 -10.342
207 HZ3 TRP 32 HZ3 TRP 32 1.548 4.807 -10.872
208 HH2 TRP 32 HH2 TRP 32 0.742 2.688 -11.777
209 H ILE 33 H ILE 33 0.266 6.051 -2.961
210 HA ILE 33 HA ILE 33 2.330 7.811 -3.254
211 HB ILE 33 HB ILE 33 0.834 7.280 -0.684
212 HG12 ILE 33 1HG1 ILE 33 0.233 9.380 -2.763
213 HG13 ILE 33 2HG1 ILE 33 -0.504 7.782 -2.805
214 HG21 ILE 33 1HG2 ILE 33 1.927 9.945 -1.435
215 HG22 ILE 33 2HG2 ILE 33 1.614 9.262 0.160
216 HG23 ILE 33 3HG2 ILE 33 3.020 8.735 -0.764
217 HD11 ILE 33 3HD1 ILE 33 -1.807 8.187 -0.979
218 HD12 ILE 33 1HD1 ILE 33 -0.682 9.359 -0.295
219 HD13 ILE 33 2HD1 ILE 33 -1.703 9.810 -1.661
220 H THR 34 H THR 34 2.209 5.009 -1.121
221 HA THR 34 HA THR 34 4.402 5.432 0.484
222 HB THR 34 HB THR 34 4.628 3.010 0.677
223 HG1 THR 34 HG1 THR 34 4.338 2.521 -1.572
224 HG21 THR 34 3HG2 THR 34 1.791 2.851 0.562
225 HG22 THR 34 1HG2 THR 34 2.228 4.479 1.081
226 HG23 THR 34 2HG2 THR 34 2.821 3.079 1.975
227 H HIS 35 H HIS 35 4.324 4.284 -2.852
228 HA HIS 35 HA HIS 35 7.110 3.701 -3.002
229 HB2 HIS 35 1HB HIS 35 5.237 4.312 -5.294
230 HB3 HIS 35 2HB HIS 35 6.752 3.416 -5.368
231 HD1 HIS 35 HD1 HIS 35 6.467 1.345 -3.246
232 HD2 HIS 35 HD2 HIS 35 3.287 2.486 -5.665
233 HE1 HIS 35 HE1 HIS 35 4.852 -0.582 -3.188
234 H THR 36 H THR 36 5.122 6.502 -3.798
235 HA THR 36 HA THR 36 7.123 8.005 -5.100
236 HB THR 36 HB THR 36 4.793 9.127 -3.537
237 HG1 THR 36 HG1 THR 36 3.936 9.058 -5.870
238 HG21 THR 36 3HG2 THR 36 6.350 10.178 -5.903
239 HG22 THR 36 1HG2 THR 36 6.419 10.795 -4.253
240 HG23 THR 36 2HG2 THR 36 4.933 10.948 -5.190
241 H ARG 37 H ARG 37 6.019 7.964 -1.723
242 HA ARG 37 HA ARG 37 7.867 9.958 -0.862
243 HB2 ARG 37 1HB ARG 37 6.088 7.994 0.554
244 HB3 ARG 37 2HB ARG 37 7.249 8.964 1.450
245 HG2 ARG 37 1HG ARG 37 5.409 10.351 -0.425
246 HG3 ARG 37 2HG ARG 37 4.763 9.752 1.104
247 HD2 ARG 37 1HD ARG 37 6.334 11.050 2.354
248 HD3 ARG 37 2HD ARG 37 7.210 11.496 0.890
249 HE ARG 37 HE ARG 37 4.783 12.682 1.895
250 HH11 ARG 37 1HH1 ARG 37 6.808 12.176 -0.891
251 HH12 ARG 37 2HH1 ARG 37 6.208 13.561 -1.742
252 HH21 ARG 37 1HH2 ARG 37 3.985 14.509 0.786
253 HH22 ARG 37 2HH2 ARG 37 4.603 14.888 -0.786
254 H GLU 38 H GLU 38 9.359 9.360 1.081
255 HA GLU 38 HA GLU 38 10.768 6.840 0.569
256 HB2 GLU 38 1HB GLU 38 11.910 9.609 0.421
257 HB3 GLU 38 2HB GLU 38 12.927 8.262 0.912
258 HG2 GLU 38 1HG GLU 38 13.327 8.337 -1.339
259 HG3 GLU 38 2HG GLU 38 12.029 7.146 -1.259
260 H LYS 39 H LYS 39 11.969 6.038 2.323
261 HA LYS 39 HA LYS 39 10.960 6.865 4.898
262 HB2 LYS 39 1HB LYS 39 12.683 4.604 3.930
263 HB3 LYS 39 2HB LYS 39 12.544 4.945 5.650
264 HG2 LYS 39 1HG LYS 39 10.160 4.594 5.571
265 HG3 LYS 39 2HG LYS 39 10.220 4.378 3.820
266 HD2 LYS 39 1HD LYS 39 10.238 2.189 4.465
267 HD3 LYS 39 2HD LYS 39 11.975 2.505 4.485
268 HE2 LYS 39 1HE LYS 39 10.419 3.047 6.960
269 HE3 LYS 39 2HE LYS 39 10.731 1.366 6.529
270 HZ1 LYS 39 3HZ LYS 39 12.841 3.439 6.770
271 HZ2 LYS 39 1HZ LYS 39 13.068 1.778 6.543
272 HZ3 LYS 39 2HZ LYS 39 12.433 2.352 8.001
273 HA PRO 40 HA PRO 40 14.318 9.427 6.119
274 HB2 PRO 40 1HB PRO 40 14.208 9.088 8.811
275 HB3 PRO 40 2HB PRO 40 13.017 10.037 7.913
276 HG2 PRO 40 1HG PRO 40 12.835 7.219 8.906
277 HG3 PRO 40 2HG PRO 40 11.613 8.502 8.953
278 HD2 PRO 40 1HD PRO 40 11.586 6.532 7.096
279 HD3 PRO 40 2HD PRO 40 11.002 8.173 6.755
280 H SER 41 H SER 41 16.437 9.067 6.014
281 HA SER 41 HA SER 41 17.543 6.707 7.385
282 HB2 SER 41 1HB SER 41 18.278 7.737 4.635
283 HB3 SER 41 2HB SER 41 19.163 6.481 5.501
284 HG SER 41 HG SER 41 17.130 5.309 5.548
285 H GLY 42 H GLY 42 18.409 9.803 5.842
286 HA2 GLY 42 1HA GLY 42 20.837 10.037 7.366
287 HA3 GLY 42 2HA GLY 42 20.152 11.253 6.299
288 HA PRO 43 HA PRO 43 18.864 13.633 9.741
289 HB2 PRO 43 1HB PRO 43 16.524 14.693 8.861
290 HB3 PRO 43 2HB PRO 43 18.101 15.202 8.245
291 HG2 PRO 43 1HG PRO 43 16.127 13.294 7.051
292 HG3 PRO 43 2HG PRO 43 17.076 14.564 6.258
293 HD2 PRO 43 1HD PRO 43 17.776 11.950 6.166
294 HD3 PRO 43 2HD PRO 43 18.974 13.260 6.161
295 H SER 44 H SER 44 16.912 14.082 11.190
296 HA SER 44 HA SER 44 15.491 11.545 11.658
297 HB2 SER 44 1HB SER 44 16.606 13.616 13.521
298 HB3 SER 44 2HB SER 44 15.256 12.608 14.041
299 HG SER 44 HG SER 44 17.844 11.789 13.240
300 H SER 45 H SER 45 15.134 15.071 11.986
301 HA SER 45 HA SER 45 12.451 14.965 10.966
302 HB2 SER 45 1HB SER 45 11.261 15.677 12.889
303 HB3 SER 45 2HB SER 45 12.272 14.343 13.443
304 HG SER 45 HG SER 45 13.796 16.318 13.837
305 H GLY 46 H GLY 46 11.539 17.085 10.614
306 HA2 GLY 46 1HA GLY 46 13.043 19.445 11.214
307 HA3 GLY 46 2HA GLY 46 13.260 18.940 9.545
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -2.170 -28.944 -19.734
2 HA2 GLY 1 1HA GLY 1 0.222 -27.340 -20.125
3 HA3 GLY 1 2HA GLY 1 -1.292 -26.544 -20.528
4 H SER 2 H SER 2 -0.909 -25.001 -18.880
5 HA SER 2 HA SER 2 -1.065 -26.022 -16.130
6 HB2 SER 2 1HB SER 2 -0.334 -23.258 -17.128
7 HB3 SER 2 2HB SER 2 -0.320 -23.778 -15.443
8 HG SER 2 HG SER 2 1.547 -24.142 -17.373
9 H SER 3 H SER 3 -2.374 -24.663 -14.603
10 HA SER 3 HA SER 3 -5.046 -24.453 -15.614
11 HB2 SER 3 1HB SER 3 -5.570 -23.730 -13.255
12 HB3 SER 3 2HB SER 3 -4.765 -25.294 -13.383
13 HG SER 3 HG SER 3 -3.927 -23.755 -11.764
14 H GLY 4 H GLY 4 -2.908 -22.094 -13.991
15 HA2 GLY 4 1HA GLY 4 -2.562 -19.927 -15.095
16 HA3 GLY 4 2HA GLY 4 -4.255 -19.983 -15.561
17 H SER 5 H SER 5 -4.885 -18.099 -14.581
18 HA SER 5 HA SER 5 -4.233 -17.541 -11.836
19 HB2 SER 5 1HB SER 5 -6.018 -16.189 -13.859
20 HB3 SER 5 2HB SER 5 -5.897 -15.633 -12.190
21 HG SER 5 HG SER 5 -3.948 -15.630 -14.216
22 H SER 6 H SER 6 -5.087 -19.492 -10.884
23 HA SER 6 HA SER 6 -8.005 -19.708 -10.828
24 HB2 SER 6 1HB SER 6 -5.864 -21.563 -9.757
25 HB3 SER 6 2HB SER 6 -7.599 -21.872 -9.681
26 HG SER 6 HG SER 6 -6.043 -22.566 -11.603
27 H GLY 7 H GLY 7 -5.332 -19.838 -8.460
28 HA2 GLY 7 1HA GLY 7 -6.979 -19.412 -6.207
29 HA3 GLY 7 2HA GLY 7 -5.236 -19.192 -6.259
30 H GLU 8 H GLU 8 -4.395 -17.166 -6.374
31 HA GLU 8 HA GLU 8 -5.622 -14.994 -5.378
32 HB2 GLU 8 1HB GLU 8 -3.545 -15.035 -7.570
33 HB3 GLU 8 2HB GLU 8 -4.008 -13.585 -6.691
34 HG2 GLU 8 1HG GLU 8 -3.263 -14.598 -4.605
35 HG3 GLU 8 2HG GLU 8 -2.815 -16.066 -5.474
36 H GLY 9 H GLY 9 -6.863 -13.278 -6.060
37 HA2 GLY 9 1HA GLY 9 -8.411 -13.761 -8.482
38 HA3 GLY 9 2HA GLY 9 -8.782 -12.593 -7.222
39 H GLU 10 H GLU 10 -8.023 -12.798 -10.353
40 HA GLU 10 HA GLU 10 -6.033 -10.741 -10.568
41 HB2 GLU 10 1HB GLU 10 -6.466 -12.603 -12.251
42 HB3 GLU 10 2HB GLU 10 -7.878 -11.686 -12.757
43 HG2 GLU 10 1HG GLU 10 -5.647 -11.426 -14.040
44 HG3 GLU 10 2HG GLU 10 -6.624 -10.002 -13.688
45 H LYS 11 H LYS 11 -6.469 -8.702 -10.070
46 HA LYS 11 HA LYS 11 -9.127 -7.623 -10.742
47 HB2 LYS 11 1HB LYS 11 -7.182 -6.898 -8.556
48 HB3 LYS 11 2HB LYS 11 -8.518 -5.848 -9.010
49 HG2 LYS 11 1HG LYS 11 -10.066 -7.754 -8.537
50 HG3 LYS 11 2HG LYS 11 -8.681 -8.634 -7.887
51 HD2 LYS 11 1HD LYS 11 -9.406 -5.894 -6.897
52 HD3 LYS 11 2HD LYS 11 -10.171 -7.344 -6.242
53 HE2 LYS 11 1HE LYS 11 -7.188 -6.939 -6.361
54 HE3 LYS 11 2HE LYS 11 -8.174 -6.505 -4.965
55 HZ1 LYS 11 3HZ LYS 11 -8.903 -9.070 -5.518
56 HZ2 LYS 11 1HZ LYS 11 -7.840 -8.584 -4.295
57 HZ3 LYS 11 2HZ LYS 11 -7.235 -9.075 -5.796
58 HA PRO 12 HA PRO 12 -7.250 -4.906 -13.649
59 HB2 PRO 12 1HB PRO 12 -9.089 -2.909 -13.650
60 HB3 PRO 12 2HB PRO 12 -9.377 -4.481 -14.406
61 HG2 PRO 12 1HG PRO 12 -10.268 -3.473 -11.731
62 HG3 PRO 12 2HG PRO 12 -11.179 -4.400 -12.938
63 HD2 PRO 12 1HD PRO 12 -10.074 -5.549 -10.749
64 HD3 PRO 12 2HD PRO 12 -10.234 -6.403 -12.297
65 H TYR 13 H TYR 13 -7.388 -4.299 -10.390
66 HA TYR 13 HA TYR 13 -5.849 -1.808 -10.702
67 HB2 TYR 13 1HB TYR 13 -7.733 -2.451 -8.424
68 HB3 TYR 13 2HB TYR 13 -6.794 -0.974 -8.616
69 HD1 TYR 13 HD2 TYR 13 -7.195 0.038 -11.169
70 HD2 TYR 13 HD1 TYR 13 -9.977 -2.172 -8.828
71 HE1 TYR 13 HE2 TYR 13 -9.050 1.058 -12.421
72 HE2 TYR 13 HE1 TYR 13 -11.840 -1.159 -10.074
73 HH TYR 13 HH TYR 13 -11.938 -0.053 -12.659
74 H GLN 14 H GLN 14 -4.189 -3.652 -10.795
75 HA GLN 14 HA GLN 14 -3.376 -4.398 -8.065
76 HB2 GLN 14 1HB GLN 14 -3.767 -6.348 -9.431
77 HB3 GLN 14 2HB GLN 14 -2.757 -5.703 -10.718
78 HG2 GLN 14 1HG GLN 14 -0.786 -6.017 -9.466
79 HG3 GLN 14 2HG GLN 14 -1.688 -6.303 -7.979
80 HE21 GLN 14 1HE2 GLN 14 -1.307 -8.327 -7.412
81 HE22 GLN 14 2HE2 GLN 14 -1.436 -9.707 -8.443
82 H CYS 15 H CYS 15 -1.897 -3.037 -7.306
83 HA CYS 15 HA CYS 15 -0.357 -1.242 -8.719
84 HB2 CYS 15 1HB CYS 15 -0.661 -1.184 -6.271
85 HB3 CYS 15 2HB CYS 15 0.381 -2.595 -6.115
86 H SER 16 H SER 16 1.595 -1.255 -9.720
87 HA SER 16 HA SER 16 2.785 -3.890 -10.204
88 HB2 SER 16 1HB SER 16 2.158 -2.676 -12.210
89 HB3 SER 16 2HB SER 16 3.082 -1.268 -11.689
90 HG SER 16 HG SER 16 4.928 -2.282 -12.149
91 H GLU 17 H GLU 17 3.653 -0.589 -9.259
92 HA GLU 17 HA GLU 17 6.319 -0.569 -9.079
93 HB2 GLU 17 1HB GLU 17 4.214 0.452 -7.243
94 HB3 GLU 17 2HB GLU 17 5.873 0.482 -6.664
95 HG2 GLU 17 1HG GLU 17 5.101 1.647 -9.315
96 HG3 GLU 17 2HG GLU 17 4.986 2.567 -7.817
97 H CYS 18 H CYS 18 4.210 -2.246 -6.772
98 HA CYS 18 HA CYS 18 6.582 -3.681 -5.771
99 HB2 CYS 18 1HB CYS 18 5.262 -4.049 -3.684
100 HB3 CYS 18 2HB CYS 18 5.619 -2.355 -4.002
101 H GLY 19 H GLY 19 3.124 -3.996 -6.518
102 HA2 GLY 19 1HA GLY 19 2.446 -5.875 -7.921
103 HA3 GLY 19 2HA GLY 19 3.618 -6.857 -7.055
104 H LYS 20 H LYS 20 1.368 -4.564 -5.608
105 HA LYS 20 HA LYS 20 0.137 -6.815 -4.167
106 HB2 LYS 20 1HB LYS 20 0.382 -3.895 -3.431
107 HB3 LYS 20 2HB LYS 20 -0.555 -5.064 -2.509
108 HG2 LYS 20 1HG LYS 20 1.384 -6.276 -1.900
109 HG3 LYS 20 2HG LYS 20 2.381 -5.394 -3.060
110 HD2 LYS 20 1HD LYS 20 1.882 -3.308 -1.756
111 HD3 LYS 20 2HD LYS 20 1.122 -4.332 -0.535
112 HE2 LYS 20 1HE LYS 20 3.920 -4.870 -1.456
113 HE3 LYS 20 2HE LYS 20 3.599 -3.634 -0.241
114 HZ1 LYS 20 3HZ LYS 20 3.516 -5.224 1.276
115 HZ2 LYS 20 1HZ LYS 20 3.764 -6.415 0.100
116 HZ3 LYS 20 2HZ LYS 20 2.193 -5.927 0.491
117 H SER 21 H SER 21 -2.120 -6.877 -3.879
118 HA SER 21 HA SER 21 -3.611 -5.328 -5.891
119 HB2 SER 21 1HB SER 21 -4.044 -8.097 -4.773
120 HB3 SER 21 2HB SER 21 -5.305 -7.234 -5.655
121 HG SER 21 HG SER 21 -3.771 -7.057 -7.400
122 H PHE 22 H PHE 22 -5.792 -4.688 -5.359
123 HA PHE 22 HA PHE 22 -6.526 -4.682 -2.544
124 HB2 PHE 22 1HB PHE 22 -6.249 -2.089 -4.076
125 HB3 PHE 22 2HB PHE 22 -6.748 -2.275 -2.397
126 HD1 PHE 22 HD2 PHE 22 -5.070 -3.203 -0.745
127 HD2 PHE 22 HD1 PHE 22 -3.998 -1.873 -4.643
128 HE1 PHE 22 HE2 PHE 22 -2.727 -2.996 -0.026
129 HE2 PHE 22 HE1 PHE 22 -1.652 -1.665 -3.931
130 HZ PHE 22 HZ PHE 22 -1.014 -2.225 -1.619
131 H SER 23 H SER 23 -8.723 -4.046 -2.170
132 HA SER 23 HA SER 23 -10.420 -4.614 -4.473
133 HB2 SER 23 1HB SER 23 -11.184 -4.342 -1.557
134 HB3 SER 23 2HB SER 23 -12.201 -4.972 -2.852
135 HG SER 23 HG SER 23 -10.242 -6.492 -3.079
136 H GLY 24 H GLY 24 -9.954 -2.491 -5.429
137 HA2 GLY 24 1HA GLY 24 -11.824 -0.722 -5.710
138 HA3 GLY 24 2HA GLY 24 -11.324 -0.259 -4.090
139 H SER 25 H SER 25 -11.198 0.977 -6.915
140 HA SER 25 HA SER 25 -8.565 1.269 -7.740
141 HB2 SER 25 1HB SER 25 -11.035 2.918 -8.005
142 HB3 SER 25 2HB SER 25 -9.496 3.671 -8.424
143 HG SER 25 HG SER 25 -9.775 2.688 -10.259
144 H TYR 26 H TYR 26 -10.387 3.584 -5.724
145 HA TYR 26 HA TYR 26 -8.462 5.358 -5.061
146 HB2 TYR 26 1HB TYR 26 -10.763 5.509 -4.234
147 HB3 TYR 26 2HB TYR 26 -10.471 4.162 -3.140
148 HD1 TYR 26 HD2 TYR 26 -8.433 4.516 -1.487
149 HD2 TYR 26 HD1 TYR 26 -10.565 7.657 -3.408
150 HE1 TYR 26 HE2 TYR 26 -7.674 6.084 0.249
151 HE2 TYR 26 HE1 TYR 26 -9.812 9.235 -1.678
152 HH TYR 26 HH TYR 26 -8.273 8.194 1.213
153 H ARG 27 H ARG 27 -9.035 2.313 -3.299
154 HA ARG 27 HA ARG 27 -7.076 2.457 -1.397
155 HB2 ARG 27 1HB ARG 27 -8.781 0.594 -1.824
156 HB3 ARG 27 2HB ARG 27 -7.595 -0.082 -2.932
157 HG2 ARG 27 1HG ARG 27 -7.470 -1.148 -0.754
158 HG3 ARG 27 2HG ARG 27 -5.984 -0.264 -1.111
159 HD2 ARG 27 1HD ARG 27 -6.378 1.317 0.491
160 HD3 ARG 27 2HD ARG 27 -8.130 1.162 0.367
161 HE ARG 27 HE ARG 27 -7.231 -1.218 1.426
162 HH11 ARG 27 1HH1 ARG 27 -7.125 2.150 2.302
163 HH12 ARG 27 2HH1 ARG 27 -7.106 1.840 4.006
164 HH21 ARG 27 1HH2 ARG 27 -7.207 -1.638 3.668
165 HH22 ARG 27 2HH2 ARG 27 -7.152 -0.315 4.782
166 H LEU 28 H LEU 28 -6.705 1.488 -4.779
167 HA LEU 28 HA LEU 28 -4.012 0.705 -4.648
168 HB2 LEU 28 1HB LEU 28 -5.526 0.204 -6.525
169 HB3 LEU 28 2HB LEU 28 -5.501 1.907 -6.978
170 HG LEU 28 HG LEU 28 -2.884 1.431 -7.095
171 HD11 LEU 28 1HD1 LEU 28 -2.658 -0.784 -6.551
172 HD12 LEU 28 2HD1 LEU 28 -2.811 -0.892 -8.304
173 HD13 LEU 28 3HD1 LEU 28 -4.201 -1.235 -7.275
174 HD21 LEU 28 3HD2 LEU 28 -3.103 1.485 -9.390
175 HD22 LEU 28 1HD2 LEU 28 -4.656 2.137 -8.868
176 HD23 LEU 28 2HD2 LEU 28 -4.535 0.455 -9.385
177 H THR 29 H THR 29 -5.467 3.821 -5.558
178 HA THR 29 HA THR 29 -3.101 5.202 -6.090
179 HB THR 29 HB THR 29 -5.674 6.326 -4.963
180 HG1 THR 29 HG1 THR 29 -5.995 5.250 -6.945
181 HG21 THR 29 3HG2 THR 29 -3.748 7.839 -6.680
182 HG22 THR 29 1HG2 THR 29 -3.463 7.715 -4.945
183 HG23 THR 29 2HG2 THR 29 -4.951 8.447 -5.544
184 H GLN 30 H GLN 30 -5.071 5.497 -3.126
185 HA GLN 30 HA GLN 30 -3.416 6.974 -1.571
186 HB2 GLN 30 1HB GLN 30 -4.429 5.957 0.374
187 HB3 GLN 30 2HB GLN 30 -5.646 6.142 -0.882
188 HG2 GLN 30 1HG GLN 30 -5.561 3.819 -1.409
189 HG3 GLN 30 2HG GLN 30 -4.165 3.579 -0.360
190 HE21 GLN 30 1HE2 GLN 30 -4.487 3.933 1.942
191 HE22 GLN 30 2HE2 GLN 30 -6.027 3.573 2.638
192 H HIS 31 H HIS 31 -3.066 3.565 -2.338
193 HA HIS 31 HA HIS 31 -0.907 3.124 -0.505
194 HB2 HIS 31 1HB HIS 31 -2.085 1.171 -0.999
195 HB3 HIS 31 2HB HIS 31 -2.161 1.535 -2.720
196 HD1 HIS 31 HD1 HIS 31 0.208 0.236 -0.096
197 HD2 HIS 31 HD2 HIS 31 -0.072 0.549 -4.229
198 HE1 HIS 31 HE1 HIS 31 2.103 -1.145 -1.005
199 H TRP 32 H TRP 32 -1.134 3.476 -4.039
200 HA TRP 32 HA TRP 32 1.464 3.173 -4.789
201 HB2 TRP 32 1HB TRP 32 -0.745 4.915 -5.778
202 HB3 TRP 32 2HB TRP 32 0.872 5.188 -6.422
203 HD1 TRP 32 HD1 TRP 32 -0.883 1.807 -5.678
204 HE1 TRP 32 HE1 TRP 32 -0.866 0.416 -7.843
205 HE3 TRP 32 HE3 TRP 32 1.253 5.226 -8.822
206 HZ2 TRP 32 HZ2 TRP 32 -0.054 0.726 -10.529
207 HZ3 TRP 32 HZ3 TRP 32 1.616 4.600 -11.174
208 HH2 TRP 32 HH2 TRP 32 0.976 2.396 -12.007
209 H ILE 33 H ILE 33 0.169 5.669 -2.808
210 HA ILE 33 HA ILE 33 1.953 7.755 -3.192
211 HB ILE 33 HB ILE 33 0.791 6.867 -0.550
212 HG12 ILE 33 1HG1 ILE 33 -0.877 7.218 -2.398
213 HG13 ILE 33 2HG1 ILE 33 -1.081 8.294 -1.021
214 HG21 ILE 33 1HG2 ILE 33 1.743 8.651 0.368
215 HG22 ILE 33 2HG2 ILE 33 2.637 8.887 -1.133
216 HG23 ILE 33 3HG2 ILE 33 1.094 9.704 -0.889
217 HD11 ILE 33 3HD1 ILE 33 -0.380 10.142 -2.195
218 HD12 ILE 33 1HD1 ILE 33 0.520 9.186 -3.372
219 HD13 ILE 33 2HD1 ILE 33 -1.243 9.227 -3.430
220 H THR 34 H THR 34 2.272 4.909 -1.099
221 HA THR 34 HA THR 34 4.566 5.462 0.270
222 HB THR 34 HB THR 34 3.247 3.356 0.479
223 HG1 THR 34 HG1 THR 34 5.354 2.021 0.548
224 HG21 THR 34 3HG2 THR 34 3.268 2.951 -2.044
225 HG22 THR 34 1HG2 THR 34 3.515 1.548 -1.005
226 HG23 THR 34 2HG2 THR 34 4.891 2.304 -1.809
227 H HIS 35 H HIS 35 4.267 4.569 -3.113
228 HA HIS 35 HA HIS 35 7.128 4.347 -3.480
229 HB2 HIS 35 1HB HIS 35 5.054 4.483 -5.663
230 HB3 HIS 35 2HB HIS 35 6.651 3.743 -5.725
231 HD1 HIS 35 HD1 HIS 35 6.713 1.815 -3.503
232 HD2 HIS 35 HD2 HIS 35 3.246 2.487 -5.692
233 HE1 HIS 35 HE1 HIS 35 5.303 -0.241 -3.176
234 H THR 36 H THR 36 4.564 6.655 -4.210
235 HA THR 36 HA THR 36 6.031 8.417 -5.817
236 HB THR 36 HB THR 36 3.805 9.154 -3.906
237 HG1 THR 36 HG1 THR 36 2.944 7.630 -5.230
238 HG21 THR 36 3HG2 THR 36 3.643 11.159 -4.964
239 HG22 THR 36 1HG2 THR 36 4.179 10.509 -6.513
240 HG23 THR 36 2HG2 THR 36 5.359 10.875 -5.254
241 H ARG 37 H ARG 37 5.510 8.418 -2.299
242 HA ARG 37 HA ARG 37 7.916 10.083 -2.031
243 HB2 ARG 37 1HB ARG 37 6.854 11.361 -0.234
244 HB3 ARG 37 2HB ARG 37 5.965 11.533 -1.742
245 HG2 ARG 37 1HG ARG 37 4.569 9.530 -0.746
246 HG3 ARG 37 2HG ARG 37 5.188 10.171 0.778
247 HD2 ARG 37 1HD ARG 37 3.024 11.148 0.243
248 HD3 ARG 37 2HD ARG 37 4.290 12.375 0.213
249 HE ARG 37 HE ARG 37 4.103 11.548 -2.374
250 HH11 ARG 37 1HH1 ARG 37 1.842 12.783 -0.033
251 HH12 ARG 37 2HH1 ARG 37 0.823 13.530 -1.218
252 HH21 ARG 37 1HH2 ARG 37 2.770 12.528 -3.944
253 HH22 ARG 37 2HH2 ARG 37 1.351 13.384 -3.442
254 H GLU 38 H GLU 38 9.334 9.386 -0.546
255 HA GLU 38 HA GLU 38 8.484 7.731 1.674
256 HB2 GLU 38 1HB GLU 38 9.949 5.864 1.144
257 HB3 GLU 38 2HB GLU 38 8.778 6.099 -0.147
258 HG2 GLU 38 1HG GLU 38 10.639 7.483 -1.273
259 HG3 GLU 38 2HG GLU 38 11.712 6.666 -0.138
260 H LYS 39 H LYS 39 10.522 7.027 2.960
261 HA LYS 39 HA LYS 39 12.448 9.259 2.932
262 HB2 LYS 39 1HB LYS 39 12.560 9.125 5.357
263 HB3 LYS 39 2HB LYS 39 10.897 9.381 4.847
264 HG2 LYS 39 1HG LYS 39 10.492 6.950 5.120
265 HG3 LYS 39 2HG LYS 39 12.127 6.793 5.767
266 HD2 LYS 39 1HD LYS 39 10.263 8.794 6.965
267 HD3 LYS 39 2HD LYS 39 10.082 7.088 7.378
268 HE2 LYS 39 1HE LYS 39 12.165 6.984 8.395
269 HE3 LYS 39 2HE LYS 39 12.767 8.399 7.534
270 HZ1 LYS 39 3HZ LYS 39 11.866 9.804 9.030
271 HZ2 LYS 39 1HZ LYS 39 11.983 8.467 10.060
272 HZ3 LYS 39 2HZ LYS 39 10.509 8.835 9.316
273 HA PRO 40 HA PRO 40 15.699 6.321 2.651
274 HB2 PRO 40 1HB PRO 40 17.671 7.615 3.997
275 HB3 PRO 40 2HB PRO 40 17.121 8.107 2.390
276 HG2 PRO 40 1HG PRO 40 16.402 9.238 5.067
277 HG3 PRO 40 2HG PRO 40 16.784 10.089 3.559
278 HD2 PRO 40 1HD PRO 40 14.243 9.719 4.421
279 HD3 PRO 40 2HD PRO 40 14.669 9.772 2.698
280 H SER 41 H SER 41 15.041 4.545 3.843
281 HA SER 41 HA SER 41 16.040 4.452 6.608
282 HB2 SER 41 1HB SER 41 13.501 4.675 6.439
283 HB3 SER 41 2HB SER 41 13.508 3.054 5.744
284 HG SER 41 HG SER 41 14.361 3.853 8.323
285 H GLY 42 H GLY 42 14.830 2.450 3.916
286 HA2 GLY 42 1HA GLY 42 16.843 0.953 3.172
287 HA3 GLY 42 2HA GLY 42 16.602 0.280 4.778
288 HA PRO 43 HA PRO 43 12.731 -0.784 2.026
289 HB2 PRO 43 1HB PRO 43 13.215 -0.745 -0.645
290 HB3 PRO 43 2HB PRO 43 12.590 0.653 0.239
291 HG2 PRO 43 1HG PRO 43 15.393 0.058 -0.628
292 HG3 PRO 43 2HG PRO 43 14.501 1.588 -0.701
293 HD2 PRO 43 1HD PRO 43 16.311 1.050 1.239
294 HD3 PRO 43 2HD PRO 43 14.880 2.062 1.522
295 H SER 44 H SER 44 15.904 -1.528 0.592
296 HA SER 44 HA SER 44 15.229 -4.168 -0.185
297 HB2 SER 44 1HB SER 44 17.532 -4.441 -0.721
298 HB3 SER 44 2HB SER 44 17.156 -2.752 -1.063
299 HG SER 44 HG SER 44 18.783 -3.854 0.893
300 H SER 45 H SER 45 15.620 -6.131 0.789
301 HA SER 45 HA SER 45 16.908 -6.296 3.363
302 HB2 SER 45 1HB SER 45 14.913 -7.242 4.516
303 HB3 SER 45 2HB SER 45 14.713 -5.544 4.084
304 HG SER 45 HG SER 45 13.862 -7.432 2.227
305 H GLY 46 H GLY 46 16.468 -8.657 4.265
306 HA2 GLY 46 1HA GLY 46 16.320 -10.564 2.036
307 HA3 GLY 46 2HA GLY 46 17.767 -10.547 3.033
Start of MODEL 9
1 H1 GLY 1 H GLY 1 11.415 -16.311 -10.264
2 HA2 GLY 1 1HA GLY 1 10.022 -18.848 -10.802
3 HA3 GLY 1 2HA GLY 1 11.423 -18.659 -9.757
4 H SER 2 H SER 2 10.855 -16.814 -7.990
5 HA SER 2 HA SER 2 9.154 -18.022 -6.162
6 HB2 SER 2 1HB SER 2 10.962 -16.195 -5.809
7 HB3 SER 2 2HB SER 2 9.651 -15.055 -6.114
8 HG SER 2 HG SER 2 10.156 -15.904 -3.837
9 H SER 3 H SER 3 7.025 -18.199 -6.079
10 HA SER 3 HA SER 3 5.329 -15.986 -6.903
11 HB2 SER 3 1HB SER 3 5.776 -17.616 -8.884
12 HB3 SER 3 2HB SER 3 4.685 -18.700 -8.021
13 HG SER 3 HG SER 3 3.072 -17.530 -8.668
14 H GLY 4 H GLY 4 3.508 -15.834 -5.705
15 HA2 GLY 4 1HA GLY 4 2.643 -18.172 -4.152
16 HA3 GLY 4 2HA GLY 4 3.053 -16.697 -3.289
17 H SER 5 H SER 5 0.842 -18.127 -5.624
18 HA SER 5 HA SER 5 -1.354 -16.619 -4.595
19 HB2 SER 5 1HB SER 5 -0.134 -15.004 -6.176
20 HB3 SER 5 2HB SER 5 -0.695 -16.047 -7.482
21 HG SER 5 HG SER 5 -2.059 -14.189 -6.049
22 H SER 6 H SER 6 -2.888 -18.109 -4.554
23 HA SER 6 HA SER 6 -2.888 -20.507 -5.948
24 HB2 SER 6 1HB SER 6 -5.174 -20.794 -5.196
25 HB3 SER 6 2HB SER 6 -4.248 -20.017 -3.912
26 HG SER 6 HG SER 6 -5.919 -18.678 -5.779
27 H GLY 7 H GLY 7 -4.769 -21.207 -7.426
28 HA2 GLY 7 1HA GLY 7 -4.498 -20.292 -9.940
29 HA3 GLY 7 2HA GLY 7 -6.026 -20.935 -9.356
30 H GLU 8 H GLU 8 -7.353 -19.273 -8.066
31 HA GLU 8 HA GLU 8 -7.669 -16.964 -9.778
32 HB2 GLU 8 1HB GLU 8 -9.572 -18.383 -8.863
33 HB3 GLU 8 2HB GLU 8 -9.268 -17.622 -7.308
34 HG2 GLU 8 1HG GLU 8 -9.797 -15.459 -8.196
35 HG3 GLU 8 2HG GLU 8 -9.932 -16.117 -9.826
36 H GLY 9 H GLY 9 -7.966 -14.785 -8.879
37 HA2 GLY 9 1HA GLY 9 -7.577 -13.552 -6.652
38 HA3 GLY 9 2HA GLY 9 -5.989 -14.300 -6.751
39 H GLU 10 H GLU 10 -7.833 -13.012 -9.464
40 HA GLU 10 HA GLU 10 -5.662 -11.079 -9.906
41 HB2 GLU 10 1HB GLU 10 -7.695 -12.140 -11.877
42 HB3 GLU 10 2HB GLU 10 -6.358 -11.061 -12.250
43 HG2 GLU 10 1HG GLU 10 -5.800 -13.706 -10.998
44 HG3 GLU 10 2HG GLU 10 -6.170 -13.615 -12.718
45 H LYS 11 H LYS 11 -6.172 -9.161 -9.064
46 HA LYS 11 HA LYS 11 -8.932 -8.225 -9.099
47 HB2 LYS 11 1HB LYS 11 -6.420 -7.130 -7.829
48 HB3 LYS 11 2HB LYS 11 -7.971 -6.303 -7.772
49 HG2 LYS 11 1HG LYS 11 -7.568 -9.099 -6.748
50 HG3 LYS 11 2HG LYS 11 -7.373 -7.660 -5.745
51 HD2 LYS 11 1HD LYS 11 -9.660 -7.048 -6.050
52 HD3 LYS 11 2HD LYS 11 -9.886 -8.286 -7.287
53 HE2 LYS 11 1HE LYS 11 -9.105 -8.954 -4.462
54 HE3 LYS 11 2HE LYS 11 -10.788 -8.790 -4.959
55 HZ1 LYS 11 3HZ LYS 11 -8.886 -10.628 -6.295
56 HZ2 LYS 11 1HZ LYS 11 -10.569 -10.584 -6.456
57 HZ3 LYS 11 2HZ LYS 11 -9.872 -11.102 -5.005
58 HA PRO 12 HA PRO 12 -8.510 -5.539 -12.546
59 HB2 PRO 12 1HB PRO 12 -10.137 -3.492 -11.815
60 HB3 PRO 12 2HB PRO 12 -10.748 -5.076 -12.306
61 HG2 PRO 12 1HG PRO 12 -10.357 -3.967 -9.553
62 HG3 PRO 12 2HG PRO 12 -11.717 -4.903 -10.199
63 HD2 PRO 12 1HD PRO 12 -9.774 -6.017 -8.677
64 HD3 PRO 12 2HD PRO 12 -10.611 -6.911 -9.963
65 H TYR 13 H TYR 13 -7.689 -4.441 -9.367
66 HA TYR 13 HA TYR 13 -6.022 -2.321 -10.554
67 HB2 TYR 13 1HB TYR 13 -7.677 -2.268 -8.042
68 HB3 TYR 13 2HB TYR 13 -6.305 -1.186 -8.256
69 HD1 TYR 13 HD1 TYR 13 -9.353 -2.288 -10.125
70 HD2 TYR 13 HD2 TYR 13 -6.730 0.908 -9.121
71 HE1 TYR 13 HE1 TYR 13 -10.788 -0.726 -11.370
72 HE2 TYR 13 HE2 TYR 13 -8.158 2.478 -10.363
73 HH TYR 13 HH TYR 13 -10.043 1.921 -12.541
74 H GLN 14 H GLN 14 -4.222 -3.687 -10.650
75 HA GLN 14 HA GLN 14 -3.173 -4.609 -8.061
76 HB2 GLN 14 1HB GLN 14 -3.402 -6.435 -9.594
77 HB3 GLN 14 2HB GLN 14 -2.610 -5.532 -10.878
78 HG2 GLN 14 1HG GLN 14 -1.093 -6.026 -8.377
79 HG3 GLN 14 2HG GLN 14 -1.346 -7.375 -9.483
80 HE21 GLN 14 1HE2 GLN 14 -1.169 -6.244 -11.914
81 HE22 GLN 14 2HE2 GLN 14 0.401 -5.566 -12.161
82 H CYS 15 H CYS 15 -1.814 -3.183 -7.203
83 HA CYS 15 HA CYS 15 -0.574 -1.053 -8.377
84 HB2 CYS 15 1HB CYS 15 -0.657 -1.732 -5.897
85 HB3 CYS 15 2HB CYS 15 0.807 -2.652 -6.231
86 H SER 16 H SER 16 0.577 -1.090 -10.198
87 HA SER 16 HA SER 16 2.338 -3.304 -10.818
88 HB2 SER 16 1HB SER 16 0.871 -2.069 -12.510
89 HB3 SER 16 2HB SER 16 2.042 -0.754 -12.406
90 HG SER 16 HG SER 16 2.298 -2.524 -14.081
91 H GLU 17 H GLU 17 2.928 -1.517 -8.532
92 HA GLU 17 HA GLU 17 5.552 -0.511 -9.421
93 HB2 GLU 17 1HB GLU 17 3.564 0.561 -7.470
94 HB3 GLU 17 2HB GLU 17 5.272 0.827 -7.149
95 HG2 GLU 17 1HG GLU 17 3.948 1.563 -9.744
96 HG3 GLU 17 2HG GLU 17 4.092 2.667 -8.377
97 H CYS 18 H CYS 18 3.821 -2.528 -7.206
98 HA CYS 18 HA CYS 18 6.381 -3.467 -6.113
99 HB2 CYS 18 1HB CYS 18 5.278 -3.768 -3.899
100 HB3 CYS 18 2HB CYS 18 5.422 -2.080 -4.382
101 H GLY 19 H GLY 19 2.973 -4.131 -6.753
102 HA2 GLY 19 1HA GLY 19 2.482 -6.221 -7.936
103 HA3 GLY 19 2HA GLY 19 3.664 -7.000 -6.895
104 H LYS 20 H LYS 20 0.964 -4.790 -6.196
105 HA LYS 20 HA LYS 20 -0.118 -6.856 -4.393
106 HB2 LYS 20 1HB LYS 20 0.245 -3.917 -4.039
107 HB3 LYS 20 2HB LYS 20 -1.153 -4.676 -3.288
108 HG2 LYS 20 1HG LYS 20 0.272 -6.166 -2.040
109 HG3 LYS 20 2HG LYS 20 1.701 -5.540 -2.865
110 HD2 LYS 20 1HD LYS 20 0.934 -3.248 -1.937
111 HD3 LYS 20 2HD LYS 20 -0.042 -4.208 -0.823
112 HE2 LYS 20 1HE LYS 20 2.882 -4.759 -1.180
113 HE3 LYS 20 2HE LYS 20 2.330 -3.479 -0.101
114 HZ1 LYS 20 3HZ LYS 20 2.655 -5.540 1.099
115 HZ2 LYS 20 1HZ LYS 20 1.576 -6.347 0.075
116 HZ3 LYS 20 2HZ LYS 20 1.015 -5.124 1.100
117 H SER 21 H SER 21 -2.234 -7.372 -4.565
118 HA SER 21 HA SER 21 -3.724 -6.106 -6.747
119 HB2 SER 21 1HB SER 21 -3.883 -8.780 -5.392
120 HB3 SER 21 2HB SER 21 -5.272 -8.161 -6.284
121 HG SER 21 HG SER 21 -4.276 -8.933 -7.961
122 H PHE 22 H PHE 22 -5.381 -4.796 -6.366
123 HA PHE 22 HA PHE 22 -6.722 -4.932 -3.751
124 HB2 PHE 22 1HB PHE 22 -5.896 -2.416 -5.215
125 HB3 PHE 22 2HB PHE 22 -6.879 -2.459 -3.755
126 HD1 PHE 22 HD2 PHE 22 -5.829 -3.604 -1.693
127 HD2 PHE 22 HD1 PHE 22 -3.597 -2.260 -5.058
128 HE1 PHE 22 HE2 PHE 22 -3.788 -3.562 -0.318
129 HE2 PHE 22 HE1 PHE 22 -1.553 -2.216 -3.689
130 HZ PHE 22 HZ PHE 22 -1.647 -2.866 -1.316
131 H SER 23 H SER 23 -8.903 -4.125 -3.725
132 HA SER 23 HA SER 23 -10.209 -4.430 -6.340
133 HB2 SER 23 1HB SER 23 -10.800 -5.980 -4.403
134 HB3 SER 23 2HB SER 23 -11.557 -4.581 -3.642
135 HG SER 23 HG SER 23 -12.348 -6.048 -5.870
136 H GLY 24 H GLY 24 -9.368 -2.084 -6.532
137 HA2 GLY 24 1HA GLY 24 -11.371 -0.306 -6.807
138 HA3 GLY 24 2HA GLY 24 -10.943 -0.108 -5.114
139 H SER 25 H SER 25 -10.744 1.964 -6.969
140 HA SER 25 HA SER 25 -7.997 2.186 -7.829
141 HB2 SER 25 1HB SER 25 -9.825 3.184 -9.156
142 HB3 SER 25 2HB SER 25 -10.203 4.262 -7.813
143 HG SER 25 HG SER 25 -8.871 5.302 -9.324
144 H TYR 26 H TYR 26 -10.042 3.554 -5.295
145 HA TYR 26 HA TYR 26 -8.257 5.443 -4.278
146 HB2 TYR 26 1HB TYR 26 -10.679 5.202 -3.659
147 HB3 TYR 26 2HB TYR 26 -10.232 3.824 -2.660
148 HD1 TYR 26 HD2 TYR 26 -8.460 4.256 -0.820
149 HD2 TYR 26 HD1 TYR 26 -10.648 7.348 -2.758
150 HE1 TYR 26 HE2 TYR 26 -7.972 5.769 1.056
151 HE2 TYR 26 HE1 TYR 26 -10.164 8.870 -0.888
152 HH TYR 26 HH TYR 26 -8.922 9.168 0.971
153 H ARG 27 H ARG 27 -8.893 2.172 -2.994
154 HA ARG 27 HA ARG 27 -6.929 2.066 -1.079
155 HB2 ARG 27 1HB ARG 27 -7.875 -0.169 -2.881
156 HB3 ARG 27 2HB ARG 27 -6.947 -0.398 -1.406
157 HG2 ARG 27 1HG ARG 27 -9.537 1.088 -1.332
158 HG3 ARG 27 2HG ARG 27 -9.518 -0.677 -1.359
159 HD2 ARG 27 1HD ARG 27 -8.070 1.047 0.649
160 HD3 ARG 27 2HD ARG 27 -9.619 0.252 0.928
161 HE ARG 27 HE ARG 27 -7.689 -1.641 0.110
162 HH11 ARG 27 1HH1 ARG 27 -8.591 0.334 2.832
163 HH12 ARG 27 2HH1 ARG 27 -7.914 -0.746 4.006
164 HH21 ARG 27 1HH2 ARG 27 -6.795 -3.070 1.646
165 HH22 ARG 27 2HH2 ARG 27 -6.892 -2.681 3.330
166 H LEU 28 H LEU 28 -6.565 2.016 -4.510
167 HA LEU 28 HA LEU 28 -3.893 0.929 -4.478
168 HB2 LEU 28 1HB LEU 28 -5.483 0.632 -6.372
169 HB3 LEU 28 2HB LEU 28 -5.332 2.355 -6.709
170 HG LEU 28 HG LEU 28 -2.767 1.741 -6.874
171 HD11 LEU 28 1HD1 LEU 28 -3.611 -0.734 -8.153
172 HD12 LEU 28 2HD1 LEU 28 -3.792 -0.762 -6.399
173 HD13 LEU 28 3HD1 LEU 28 -2.221 -0.408 -7.118
174 HD21 LEU 28 3HD2 LEU 28 -3.720 0.867 -9.350
175 HD22 LEU 28 1HD2 LEU 28 -3.283 2.513 -8.891
176 HD23 LEU 28 2HD2 LEU 28 -4.953 1.967 -8.733
177 H THR 29 H THR 29 -5.063 4.015 -5.815
178 HA THR 29 HA THR 29 -2.719 5.383 -5.936
179 HB THR 29 HB THR 29 -4.782 6.357 -6.759
180 HG1 THR 29 HG1 THR 29 -4.456 8.498 -5.894
181 HG21 THR 29 3HG2 THR 29 -6.112 5.536 -4.717
182 HG22 THR 29 1HG2 THR 29 -6.553 7.094 -5.414
183 HG23 THR 29 2HG2 THR 29 -5.583 7.029 -3.943
184 H GLN 30 H GLN 30 -4.900 5.383 -3.114
185 HA GLN 30 HA GLN 30 -3.430 6.961 -1.407
186 HB2 GLN 30 1HB GLN 30 -4.741 6.141 0.318
187 HB3 GLN 30 2HB GLN 30 -5.732 5.785 -1.090
188 HG2 GLN 30 1HG GLN 30 -5.813 3.863 0.246
189 HG3 GLN 30 2HG GLN 30 -4.703 3.479 -1.069
190 HE21 GLN 30 1HE2 GLN 30 -4.446 5.120 2.071
191 HE22 GLN 30 2HE2 GLN 30 -3.086 4.211 2.625
192 H HIS 31 H HIS 31 -2.848 3.660 -2.365
193 HA HIS 31 HA HIS 31 -0.839 3.218 -0.330
194 HB2 HIS 31 1HB HIS 31 -1.949 1.240 -0.873
195 HB3 HIS 31 2HB HIS 31 -1.951 1.597 -2.598
196 HD1 HIS 31 HD1 HIS 31 0.545 0.684 0.120
197 HD2 HIS 31 HD2 HIS 31 -0.004 0.315 -3.982
198 HE1 HIS 31 HE1 HIS 31 2.449 -0.748 -0.688
199 H TRP 32 H TRP 32 -0.935 3.768 -3.828
200 HA TRP 32 HA TRP 32 1.702 3.430 -4.499
201 HB2 TRP 32 1HB TRP 32 -0.434 5.270 -5.501
202 HB3 TRP 32 2HB TRP 32 1.209 5.459 -6.107
203 HD1 TRP 32 HD1 TRP 32 -0.774 2.185 -5.455
204 HE1 TRP 32 HE1 TRP 32 -0.780 0.819 -7.636
205 HE3 TRP 32 HE3 TRP 32 1.676 5.491 -8.489
206 HZ2 TRP 32 HZ2 TRP 32 0.133 1.106 -10.292
207 HZ3 TRP 32 HZ3 TRP 32 2.070 4.868 -10.836
208 HH2 TRP 32 HH2 TRP 32 1.315 2.720 -11.717
209 H ILE 33 H ILE 33 0.207 6.237 -2.961
210 HA ILE 33 HA ILE 33 2.120 8.145 -3.071
211 HB ILE 33 HB ILE 33 0.480 7.327 -0.678
212 HG12 ILE 33 1HG1 ILE 33 0.178 9.735 -2.472
213 HG13 ILE 33 2HG1 ILE 33 -0.611 8.198 -2.812
214 HG21 ILE 33 1HG2 ILE 33 2.659 9.238 -0.861
215 HG22 ILE 33 2HG2 ILE 33 1.151 9.979 -0.327
216 HG23 ILE 33 3HG2 ILE 33 1.822 8.609 0.558
217 HD11 ILE 33 3HD1 ILE 33 -0.991 9.403 -0.128
218 HD12 ILE 33 1HD1 ILE 33 -1.830 10.124 -1.501
219 HD13 ILE 33 2HD1 ILE 33 -2.092 8.427 -1.100
220 H THR 34 H THR 34 2.224 5.219 -1.124
221 HA THR 34 HA THR 34 4.396 5.812 0.516
222 HB THR 34 HB THR 34 4.759 3.367 0.670
223 HG1 THR 34 HG1 THR 34 3.042 2.139 -0.564
224 HG21 THR 34 3HG2 THR 34 1.806 3.954 0.697
225 HG22 THR 34 1HG2 THR 34 2.914 4.603 1.906
226 HG23 THR 34 2HG2 THR 34 2.711 2.858 1.741
227 H HIS 35 H HIS 35 4.335 4.393 -2.736
228 HA HIS 35 HA HIS 35 7.121 3.979 -2.944
229 HB2 HIS 35 1HB HIS 35 5.129 4.443 -5.173
230 HB3 HIS 35 2HB HIS 35 6.721 3.708 -5.337
231 HD1 HIS 35 HD1 HIS 35 6.710 1.663 -3.115
232 HD2 HIS 35 HD2 HIS 35 3.421 2.378 -5.550
233 HE1 HIS 35 HE1 HIS 35 5.324 -0.433 -3.006
234 H THR 36 H THR 36 5.051 6.725 -3.655
235 HA THR 36 HA THR 36 6.660 8.312 -5.203
236 HB THR 36 HB THR 36 5.050 9.363 -2.872
237 HG1 THR 36 HG1 THR 36 4.281 8.238 -5.319
238 HG21 THR 36 3HG2 THR 36 4.882 11.379 -4.095
239 HG22 THR 36 1HG2 THR 36 5.512 10.633 -5.563
240 HG23 THR 36 2HG2 THR 36 6.581 10.913 -4.188
241 H ARG 37 H ARG 37 6.597 8.325 -1.633
242 HA ARG 37 HA ARG 37 8.959 9.952 -1.481
243 HB2 ARG 37 1HB ARG 37 8.753 9.670 0.934
244 HB3 ARG 37 2HB ARG 37 7.200 10.092 0.225
245 HG2 ARG 37 1HG ARG 37 6.697 7.600 0.230
246 HG3 ARG 37 2HG ARG 37 8.106 7.436 1.280
247 HD2 ARG 37 1HD ARG 37 7.125 8.719 2.982
248 HD3 ARG 37 2HD ARG 37 5.894 9.367 1.898
249 HE ARG 37 HE ARG 37 4.612 7.528 2.330
250 HH11 ARG 37 1HH1 ARG 37 7.901 6.845 3.244
251 HH12 ARG 37 2HH1 ARG 37 7.520 5.316 3.965
252 HH21 ARG 37 1HH2 ARG 37 4.098 5.517 3.276
253 HH22 ARG 37 2HH2 ARG 37 5.357 4.562 3.982
254 H GLU 38 H GLU 38 8.187 6.542 -0.886
255 HA GLU 38 HA GLU 38 11.013 5.956 -0.438
256 HB2 GLU 38 1HB GLU 38 9.340 4.970 1.082
257 HB3 GLU 38 2HB GLU 38 8.598 4.144 -0.281
258 HG2 GLU 38 1HG GLU 38 9.924 2.536 0.784
259 HG3 GLU 38 2HG GLU 38 10.832 3.020 -0.648
260 H LYS 39 H LYS 39 11.867 6.219 -2.504
261 HA LYS 39 HA LYS 39 10.802 4.536 -4.647
262 HB2 LYS 39 1HB LYS 39 12.889 6.721 -4.645
263 HB3 LYS 39 2HB LYS 39 12.464 5.774 -6.065
264 HG2 LYS 39 1HG LYS 39 10.240 6.643 -6.066
265 HG3 LYS 39 2HG LYS 39 10.495 7.435 -4.510
266 HD2 LYS 39 1HD LYS 39 12.271 8.099 -6.821
267 HD3 LYS 39 2HD LYS 39 10.659 8.811 -6.723
268 HE2 LYS 39 1HE LYS 39 11.202 9.666 -4.478
269 HE3 LYS 39 2HE LYS 39 12.824 8.994 -4.629
270 HZ1 LYS 39 3HZ LYS 39 11.994 11.490 -5.426
271 HZ2 LYS 39 1HZ LYS 39 12.179 10.622 -6.866
272 HZ3 LYS 39 2HZ LYS 39 13.474 10.754 -5.785
273 HA PRO 40 HA PRO 40 13.884 1.438 -4.130
274 HB2 PRO 40 1HB PRO 40 13.914 0.427 -6.650
275 HB3 PRO 40 2HB PRO 40 12.593 0.134 -5.513
276 HG2 PRO 40 1HG PRO 40 12.760 2.113 -7.752
277 HG3 PRO 40 2HG PRO 40 11.406 1.069 -7.280
278 HD2 PRO 40 1HD PRO 40 11.526 3.691 -6.612
279 HD3 PRO 40 2HD PRO 40 10.752 2.475 -5.575
280 H SER 41 H SER 41 15.842 0.552 -5.522
281 HA SER 41 HA SER 41 17.710 2.691 -5.693
282 HB2 SER 41 1HB SER 41 18.577 0.609 -4.966
283 HB3 SER 41 2HB SER 41 17.873 -0.252 -6.335
284 HG SER 41 HG SER 41 19.713 1.794 -6.843
285 H GLY 42 H GLY 42 16.186 0.583 -8.113
286 HA2 GLY 42 1HA GLY 42 15.607 1.162 -10.299
287 HA3 GLY 42 2HA GLY 42 16.488 2.671 -10.107
288 HA PRO 43 HA PRO 43 19.875 -0.616 -11.108
289 HB2 PRO 43 1HB PRO 43 19.039 -3.144 -11.637
290 HB3 PRO 43 2HB PRO 43 19.452 -2.590 -10.010
291 HG2 PRO 43 1HG PRO 43 16.760 -2.875 -11.287
292 HG3 PRO 43 2HG PRO 43 17.273 -3.318 -9.649
293 HD2 PRO 43 1HD PRO 43 15.906 -1.043 -10.181
294 HD3 PRO 43 2HD PRO 43 17.102 -1.154 -8.874
295 H SER 44 H SER 44 16.750 -1.119 -12.693
296 HA SER 44 HA SER 44 18.123 -0.936 -15.295
297 HB2 SER 44 1HB SER 44 16.242 -2.283 -16.224
298 HB3 SER 44 2HB SER 44 17.193 -3.161 -15.027
299 HG SER 44 HG SER 44 14.883 -3.344 -14.759
300 H SER 45 H SER 45 17.789 1.010 -16.132
301 HA SER 45 HA SER 45 15.178 2.302 -15.715
302 HB2 SER 45 1HB SER 45 17.046 3.603 -14.837
303 HB3 SER 45 2HB SER 45 17.860 3.530 -16.400
304 HG SER 45 HG SER 45 16.416 5.449 -15.727
305 H GLY 46 H GLY 46 13.855 2.056 -17.389
306 HA2 GLY 46 1HA GLY 46 14.156 3.097 -19.884
307 HA3 GLY 46 2HA GLY 46 14.845 1.488 -20.035
Start of MODEL 10
1 H1 GLY 1 H GLY 1 0.075 -21.616 3.539
2 HA2 GLY 1 1HA GLY 1 0.582 -20.854 1.299
3 HA3 GLY 1 2HA GLY 1 -0.734 -19.699 1.450
4 H SER 2 H SER 2 2.398 -19.715 1.097
5 HA SER 2 HA SER 2 3.128 -17.891 3.245
6 HB2 SER 2 1HB SER 2 5.389 -17.971 2.206
7 HB3 SER 2 2HB SER 2 4.772 -19.570 2.621
8 HG SER 2 HG SER 2 4.309 -19.932 0.476
9 H SER 3 H SER 3 3.069 -17.869 -0.316
10 HA SER 3 HA SER 3 2.747 -14.943 -0.195
11 HB2 SER 3 1HB SER 3 4.566 -16.607 -1.886
12 HB3 SER 3 2HB SER 3 3.899 -15.125 -2.570
13 HG SER 3 HG SER 3 4.980 -14.964 -0.012
14 H GLY 4 H GLY 4 0.841 -14.326 -0.952
15 HA2 GLY 4 1HA GLY 4 -0.749 -14.100 -2.700
16 HA3 GLY 4 2HA GLY 4 -0.259 -15.672 -3.314
17 H SER 5 H SER 5 -2.593 -13.999 -1.593
18 HA SER 5 HA SER 5 -3.527 -16.332 -0.109
19 HB2 SER 5 1HB SER 5 -3.602 -14.227 1.085
20 HB3 SER 5 2HB SER 5 -4.530 -13.478 -0.214
21 HG SER 5 HG SER 5 -5.415 -14.893 1.881
22 H SER 6 H SER 6 -5.006 -13.954 -2.323
23 HA SER 6 HA SER 6 -6.680 -16.138 -3.382
24 HB2 SER 6 1HB SER 6 -7.386 -13.354 -2.567
25 HB3 SER 6 2HB SER 6 -8.238 -14.058 -3.941
26 HG SER 6 HG SER 6 -8.818 -14.416 -1.450
27 H GLY 7 H GLY 7 -5.543 -16.632 -5.202
28 HA2 GLY 7 1HA GLY 7 -4.839 -14.431 -7.023
29 HA3 GLY 7 2HA GLY 7 -4.160 -16.051 -7.072
30 H GLU 8 H GLU 8 -6.862 -14.036 -7.955
31 HA GLU 8 HA GLU 8 -8.123 -16.255 -9.391
32 HB2 GLU 8 1HB GLU 8 -10.013 -14.720 -9.710
33 HB3 GLU 8 2HB GLU 8 -9.595 -14.887 -8.011
34 HG2 GLU 8 1HG GLU 8 -9.895 -12.632 -8.153
35 HG3 GLU 8 2HG GLU 8 -8.163 -12.747 -8.463
36 H GLY 9 H GLY 9 -5.633 -15.309 -10.361
37 HA2 GLY 9 1HA GLY 9 -4.862 -15.117 -12.565
38 HA3 GLY 9 2HA GLY 9 -6.460 -14.571 -13.053
39 H GLU 10 H GLU 10 -6.407 -12.576 -13.820
40 HA GLU 10 HA GLU 10 -4.411 -10.701 -12.772
41 HB2 GLU 10 1HB GLU 10 -4.837 -9.383 -14.783
42 HB3 GLU 10 2HB GLU 10 -4.428 -11.042 -15.200
43 HG2 GLU 10 1HG GLU 10 -6.187 -10.605 -16.612
44 HG3 GLU 10 2HG GLU 10 -6.990 -11.400 -15.259
45 H LYS 11 H LYS 11 -4.958 -8.963 -11.609
46 HA LYS 11 HA LYS 11 -7.808 -8.517 -11.086
47 HB2 LYS 11 1HB LYS 11 -5.315 -7.736 -9.576
48 HB3 LYS 11 2HB LYS 11 -6.913 -7.134 -9.155
49 HG2 LYS 11 1HG LYS 11 -7.631 -9.540 -8.932
50 HG3 LYS 11 2HG LYS 11 -5.923 -9.969 -9.063
51 HD2 LYS 11 1HD LYS 11 -5.622 -8.223 -7.153
52 HD3 LYS 11 2HD LYS 11 -7.349 -8.484 -6.891
53 HE2 LYS 11 1HE LYS 11 -6.338 -10.021 -5.463
54 HE3 LYS 11 2HE LYS 11 -6.756 -10.985 -6.878
55 HZ1 LYS 11 3HZ LYS 11 -4.081 -9.883 -6.212
56 HZ2 LYS 11 1HZ LYS 11 -4.453 -10.673 -7.661
57 HZ3 LYS 11 2HZ LYS 11 -4.539 -11.511 -6.195
58 HA PRO 12 HA PRO 12 -7.848 -4.753 -13.368
59 HB2 PRO 12 1HB PRO 12 -9.917 -3.513 -12.122
60 HB3 PRO 12 2HB PRO 12 -10.139 -4.870 -13.233
61 HG2 PRO 12 1HG PRO 12 -10.094 -4.859 -10.239
62 HG3 PRO 12 2HG PRO 12 -11.187 -5.720 -11.339
63 HD2 PRO 12 1HD PRO 12 -9.091 -6.931 -10.125
64 HD3 PRO 12 2HD PRO 12 -9.664 -7.403 -11.738
65 H TYR 13 H TYR 13 -7.383 -4.838 -9.940
66 HA TYR 13 HA TYR 13 -6.078 -2.209 -10.078
67 HB2 TYR 13 1HB TYR 13 -7.813 -3.152 -7.787
68 HB3 TYR 13 2HB TYR 13 -6.944 -1.624 -7.870
69 HD1 TYR 13 HD2 TYR 13 -7.605 0.029 -9.691
70 HD2 TYR 13 HD1 TYR 13 -9.981 -3.348 -8.663
71 HE1 TYR 13 HE2 TYR 13 -9.556 1.085 -10.753
72 HE2 TYR 13 HE1 TYR 13 -11.938 -2.301 -9.723
73 HH TYR 13 HH TYR 13 -12.321 0.711 -10.309
74 H GLN 14 H GLN 14 -4.176 -3.577 -10.342
75 HA GLN 14 HA GLN 14 -3.199 -4.560 -7.745
76 HB2 GLN 14 1HB GLN 14 -3.579 -6.524 -9.027
77 HB3 GLN 14 2HB GLN 14 -2.874 -5.806 -10.469
78 HG2 GLN 14 1HG GLN 14 -1.169 -6.121 -8.055
79 HG3 GLN 14 2HG GLN 14 -1.552 -7.546 -9.020
80 HE21 GLN 14 1HE2 GLN 14 1.024 -6.806 -8.794
81 HE22 GLN 14 2HE2 GLN 14 1.601 -6.144 -10.281
82 H CYS 15 H CYS 15 -1.575 -3.349 -7.059
83 HA CYS 15 HA CYS 15 -0.207 -1.496 -8.709
84 HB2 CYS 15 1HB CYS 15 -0.507 -1.062 -6.339
85 HB3 CYS 15 2HB CYS 15 0.422 -2.499 -5.926
86 H SER 16 H SER 16 1.218 -2.040 -10.216
87 HA SER 16 HA SER 16 2.640 -4.518 -10.185
88 HB2 SER 16 1HB SER 16 1.873 -3.194 -12.242
89 HB3 SER 16 2HB SER 16 3.276 -2.164 -11.961
90 HG SER 16 HG SER 16 3.509 -4.058 -13.431
91 H GLU 17 H GLU 17 3.463 -1.157 -9.503
92 HA GLU 17 HA GLU 17 6.139 -1.065 -9.412
93 HB2 GLU 17 1HB GLU 17 4.380 -0.138 -7.134
94 HB3 GLU 17 2HB GLU 17 5.997 0.447 -7.498
95 HG2 GLU 17 1HG GLU 17 3.532 0.790 -9.188
96 HG3 GLU 17 2HG GLU 17 4.369 2.037 -8.265
97 H CYS 18 H CYS 18 4.190 -2.380 -6.731
98 HA CYS 18 HA CYS 18 6.583 -3.847 -5.835
99 HB2 CYS 18 1HB CYS 18 5.557 -3.880 -3.597
100 HB3 CYS 18 2HB CYS 18 5.793 -2.235 -4.179
101 H GLY 19 H GLY 19 3.045 -4.071 -6.123
102 HA2 GLY 19 1HA GLY 19 2.186 -6.075 -7.272
103 HA3 GLY 19 2HA GLY 19 3.368 -7.000 -6.357
104 H LYS 20 H LYS 20 0.631 -4.782 -5.836
105 HA LYS 20 HA LYS 20 -0.250 -6.553 -3.655
106 HB2 LYS 20 1HB LYS 20 0.110 -3.589 -3.662
107 HB3 LYS 20 2HB LYS 20 -1.220 -4.268 -2.732
108 HG2 LYS 20 1HG LYS 20 1.494 -5.426 -2.374
109 HG3 LYS 20 2HG LYS 20 1.138 -3.855 -1.652
110 HD2 LYS 20 1HD LYS 20 -0.990 -5.047 -0.751
111 HD3 LYS 20 2HD LYS 20 -0.085 -6.527 -1.081
112 HE2 LYS 20 1HE LYS 20 1.674 -5.858 0.394
113 HE3 LYS 20 2HE LYS 20 0.977 -4.250 0.584
114 HZ1 LYS 20 3HZ LYS 20 -1.013 -5.992 1.322
115 HZ2 LYS 20 1HZ LYS 20 -0.060 -5.051 2.356
116 HZ3 LYS 20 2HZ LYS 20 0.391 -6.643 2.006
117 H SER 21 H SER 21 -2.601 -6.174 -3.099
118 HA SER 21 HA SER 21 -4.183 -5.325 -5.416
119 HB2 SER 21 1HB SER 21 -4.077 -7.666 -5.784
120 HB3 SER 21 2HB SER 21 -4.294 -8.024 -4.071
121 HG SER 21 HG SER 21 -6.363 -7.978 -4.376
122 H PHE 22 H PHE 22 -6.037 -4.292 -4.910
123 HA PHE 22 HA PHE 22 -7.029 -4.440 -2.156
124 HB2 PHE 22 1HB PHE 22 -6.492 -1.866 -3.653
125 HB3 PHE 22 2HB PHE 22 -7.292 -1.985 -2.089
126 HD1 PHE 22 HD2 PHE 22 -5.999 -2.844 -0.124
127 HD2 PHE 22 HD1 PHE 22 -4.152 -1.852 -3.828
128 HE1 PHE 22 HE2 PHE 22 -3.816 -2.715 1.003
129 HE2 PHE 22 HE1 PHE 22 -1.965 -1.722 -2.707
130 HZ PHE 22 HZ PHE 22 -1.795 -2.153 -0.288
131 H SER 23 H SER 23 -9.174 -3.130 -2.020
132 HA SER 23 HA SER 23 -10.783 -3.888 -4.365
133 HB2 SER 23 1HB SER 23 -12.691 -4.030 -2.824
134 HB3 SER 23 2HB SER 23 -11.372 -5.069 -2.286
135 HG SER 23 HG SER 23 -12.364 -2.714 -1.164
136 H GLY 24 H GLY 24 -10.307 -1.899 -5.447
137 HA2 GLY 24 1HA GLY 24 -11.913 -0.009 -5.919
138 HA3 GLY 24 2HA GLY 24 -11.632 0.452 -4.246
139 H SER 25 H SER 25 -11.132 1.866 -6.827
140 HA SER 25 HA SER 25 -8.327 1.992 -7.248
141 HB2 SER 25 1HB SER 25 -9.008 4.259 -8.348
142 HB3 SER 25 2HB SER 25 -9.565 2.752 -9.073
143 HG SER 25 HG SER 25 -11.154 3.999 -7.130
144 H TYR 26 H TYR 26 -10.345 3.229 -4.819
145 HA TYR 26 HA TYR 26 -8.824 5.569 -4.179
146 HB2 TYR 26 1HB TYR 26 -11.117 5.553 -3.516
147 HB3 TYR 26 2HB TYR 26 -10.933 4.016 -2.679
148 HD1 TYR 26 HD1 TYR 26 -9.964 7.594 -2.571
149 HD2 TYR 26 HD2 TYR 26 -10.290 3.942 -0.412
150 HE1 TYR 26 HE1 TYR 26 -9.501 8.798 -0.477
151 HE2 TYR 26 HE2 TYR 26 -9.829 5.136 1.688
152 HH TYR 26 HH TYR 26 -10.167 7.715 2.452
153 H ARG 27 H ARG 27 -8.964 2.250 -2.970
154 HA ARG 27 HA ARG 27 -7.099 2.662 -0.857
155 HB2 ARG 27 1HB ARG 27 -8.837 0.775 -1.131
156 HB3 ARG 27 2HB ARG 27 -7.637 0.007 -2.161
157 HG2 ARG 27 1HG ARG 27 -7.278 -0.952 -0.079
158 HG3 ARG 27 2HG ARG 27 -6.036 0.297 -0.180
159 HD2 ARG 27 1HD ARG 27 -8.698 0.853 1.082
160 HD3 ARG 27 2HD ARG 27 -7.402 0.082 1.995
161 HE ARG 27 HE ARG 27 -6.173 2.247 0.997
162 HH11 ARG 27 1HH1 ARG 27 -9.209 1.850 2.655
163 HH12 ARG 27 2HH1 ARG 27 -9.170 3.426 3.376
164 HH21 ARG 27 1HH2 ARG 27 -6.110 4.323 1.940
165 HH22 ARG 27 2HH2 ARG 27 -7.407 4.831 2.968
166 H LEU 28 H LEU 28 -6.840 1.321 -4.132
167 HA LEU 28 HA LEU 28 -4.152 0.571 -4.036
168 HB2 LEU 28 1HB LEU 28 -5.733 -0.062 -5.817
169 HB3 LEU 28 2HB LEU 28 -5.701 1.597 -6.410
170 HG LEU 28 HG LEU 28 -3.094 1.072 -6.563
171 HD11 LEU 28 1HD1 LEU 28 -3.921 -1.552 -7.530
172 HD12 LEU 28 2HD1 LEU 28 -4.013 -1.384 -5.777
173 HD13 LEU 28 3HD1 LEU 28 -2.491 -1.077 -6.613
174 HD21 LEU 28 3HD2 LEU 28 -4.602 -0.129 -8.787
175 HD22 LEU 28 1HD2 LEU 28 -3.422 1.181 -8.788
176 HD23 LEU 28 2HD2 LEU 28 -5.094 1.501 -8.326
177 H THR 29 H THR 29 -5.475 3.502 -5.587
178 HA THR 29 HA THR 29 -3.180 4.832 -6.174
179 HB THR 29 HB THR 29 -4.470 6.980 -5.654
180 HG1 THR 29 HG1 THR 29 -6.857 6.263 -5.479
181 HG21 THR 29 3HG2 THR 29 -4.754 5.056 -7.707
182 HG22 THR 29 1HG2 THR 29 -5.067 6.788 -7.791
183 HG23 THR 29 2HG2 THR 29 -6.365 5.678 -7.350
184 H GLN 30 H GLN 30 -4.963 5.316 -3.117
185 HA GLN 30 HA GLN 30 -3.167 6.928 -1.815
186 HB2 GLN 30 1HB GLN 30 -4.897 4.740 -0.656
187 HB3 GLN 30 2HB GLN 30 -4.072 5.959 0.306
188 HG2 GLN 30 1HG GLN 30 -6.064 6.613 -1.848
189 HG3 GLN 30 2HG GLN 30 -6.491 6.401 -0.150
190 HE21 GLN 30 1HE2 GLN 30 -6.962 8.359 0.574
191 HE22 GLN 30 2HE2 GLN 30 -5.965 9.760 0.411
192 H HIS 31 H HIS 31 -2.975 3.488 -2.373
193 HA HIS 31 HA HIS 31 -0.754 3.113 -0.564
194 HB2 HIS 31 1HB HIS 31 -1.962 1.156 -0.682
195 HB3 HIS 31 2HB HIS 31 -2.346 1.370 -2.387
196 HD1 HIS 31 HD1 HIS 31 -0.126 -0.436 -0.150
197 HD2 HIS 31 HD2 HIS 31 -0.060 0.766 -4.127
198 HE1 HIS 31 HE1 HIS 31 1.654 -1.834 -1.246
199 H TRP 32 H TRP 32 -1.228 3.922 -3.882
200 HA TRP 32 HA TRP 32 1.298 3.078 -4.871
201 HB2 TRP 32 1HB TRP 32 -0.909 4.823 -5.848
202 HB3 TRP 32 2HB TRP 32 0.670 5.006 -6.607
203 HD1 TRP 32 HD1 TRP 32 -1.198 1.769 -5.542
204 HE1 TRP 32 HE1 TRP 32 -1.317 0.219 -7.593
205 HE3 TRP 32 HE3 TRP 32 1.016 4.820 -8.994
206 HZ2 TRP 32 HZ2 TRP 32 -0.571 0.281 -10.315
207 HZ3 TRP 32 HZ3 TRP 32 1.276 4.000 -11.299
208 HH2 TRP 32 HH2 TRP 32 0.499 1.777 -11.944
209 H ILE 33 H ILE 33 0.065 6.258 -3.847
210 HA ILE 33 HA ILE 33 2.131 7.916 -4.298
211 HB ILE 33 HB ILE 33 0.527 7.722 -1.750
212 HG12 ILE 33 1HG1 ILE 33 -0.379 9.919 -2.960
213 HG13 ILE 33 2HG1 ILE 33 0.194 9.066 -4.390
214 HG21 ILE 33 1HG2 ILE 33 1.223 10.122 -1.439
215 HG22 ILE 33 2HG2 ILE 33 2.486 8.922 -1.166
216 HG23 ILE 33 3HG2 ILE 33 2.454 9.842 -2.671
217 HD11 ILE 33 3HD1 ILE 33 -2.250 8.757 -3.076
218 HD12 ILE 33 1HD1 ILE 33 -1.607 7.787 -4.402
219 HD13 ILE 33 2HD1 ILE 33 -1.328 7.294 -2.731
220 H THR 34 H THR 34 2.058 5.374 -1.882
221 HA THR 34 HA THR 34 4.173 5.983 -0.261
222 HB THR 34 HB THR 34 4.507 3.618 0.113
223 HG1 THR 34 HG1 THR 34 4.010 2.136 -1.358
224 HG21 THR 34 3HG2 THR 34 1.843 3.019 -0.028
225 HG22 THR 34 1HG2 THR 34 1.822 4.782 -0.057
226 HG23 THR 34 2HG2 THR 34 2.606 3.930 1.274
227 H HIS 35 H HIS 35 4.335 4.428 -3.451
228 HA HIS 35 HA HIS 35 7.172 4.194 -3.455
229 HB2 HIS 35 1HB HIS 35 5.430 4.274 -5.913
230 HB3 HIS 35 2HB HIS 35 6.960 3.432 -5.691
231 HD1 HIS 35 HD1 HIS 35 6.826 1.381 -3.885
232 HD2 HIS 35 HD2 HIS 35 3.244 2.719 -5.511
233 HE1 HIS 35 HE1 HIS 35 5.169 -0.466 -3.475
234 H THR 36 H THR 36 4.896 6.582 -4.698
235 HA THR 36 HA THR 36 6.588 8.119 -6.263
236 HB THR 36 HB THR 36 4.390 9.201 -4.492
237 HG1 THR 36 HG1 THR 36 3.563 7.541 -5.780
238 HG21 THR 36 3HG2 THR 36 4.281 10.665 -6.734
239 HG22 THR 36 1HG2 THR 36 6.004 10.293 -6.723
240 HG23 THR 36 2HG2 THR 36 5.271 11.116 -5.346
241 H ARG 37 H ARG 37 5.922 8.433 -2.781
242 HA ARG 37 HA ARG 37 7.741 10.588 -2.400
243 HB2 ARG 37 1HB ARG 37 7.376 10.228 -0.020
244 HB3 ARG 37 2HB ARG 37 5.847 10.167 -0.887
245 HG2 ARG 37 1HG ARG 37 5.759 7.793 -0.720
246 HG3 ARG 37 2HG ARG 37 7.406 7.722 -0.091
247 HD2 ARG 37 1HD ARG 37 5.769 7.442 1.696
248 HD3 ARG 37 2HD ARG 37 6.700 8.923 1.912
249 HE ARG 37 HE ARG 37 4.541 9.822 0.613
250 HH11 ARG 37 1HH1 ARG 37 4.869 7.716 3.366
251 HH12 ARG 37 2HH1 ARG 37 3.365 8.199 4.079
252 HH21 ARG 37 1HH2 ARG 37 2.560 10.467 1.542
253 HH22 ARG 37 2HH2 ARG 37 2.053 9.763 3.040
254 H GLU 38 H GLU 38 9.811 10.597 -1.559
255 HA GLU 38 HA GLU 38 11.140 7.984 -1.309
256 HB2 GLU 38 1HB GLU 38 11.645 9.064 -3.501
257 HB3 GLU 38 2HB GLU 38 12.338 10.424 -2.628
258 HG2 GLU 38 1HG GLU 38 14.161 9.204 -1.905
259 HG3 GLU 38 2HG GLU 38 13.346 7.658 -2.134
260 H LYS 39 H LYS 39 11.419 7.908 0.852
261 HA LYS 39 HA LYS 39 13.246 9.837 2.028
262 HB2 LYS 39 1HB LYS 39 11.788 10.145 4.027
263 HB3 LYS 39 2HB LYS 39 11.141 10.871 2.562
264 HG2 LYS 39 1HG LYS 39 9.520 9.177 2.318
265 HG3 LYS 39 2HG LYS 39 10.305 8.150 3.520
266 HD2 LYS 39 1HD LYS 39 8.564 9.032 4.745
267 HD3 LYS 39 2HD LYS 39 9.857 10.177 5.112
268 HE2 LYS 39 1HE LYS 39 8.017 10.660 2.802
269 HE3 LYS 39 2HE LYS 39 7.508 11.061 4.441
270 HZ1 LYS 39 3HZ LYS 39 9.775 12.279 4.516
271 HZ2 LYS 39 1HZ LYS 39 8.463 13.011 3.736
272 HZ3 LYS 39 2HZ LYS 39 9.665 12.242 2.829
273 HA PRO 40 HA PRO 40 14.799 6.179 3.921
274 HB2 PRO 40 1HB PRO 40 16.200 7.305 5.955
275 HB3 PRO 40 2HB PRO 40 16.737 7.363 4.272
276 HG2 PRO 40 1HG PRO 40 15.323 9.453 5.882
277 HG3 PRO 40 2HG PRO 40 16.682 9.636 4.758
278 HD2 PRO 40 1HD PRO 40 14.130 10.220 4.065
279 HD3 PRO 40 2HD PRO 40 15.316 9.595 2.902
280 H SER 41 H SER 41 12.870 5.242 4.692
281 HA SER 41 HA SER 41 12.620 5.251 7.556
282 HB2 SER 41 1HB SER 41 11.220 7.186 7.031
283 HB3 SER 41 2HB SER 41 10.304 6.229 5.867
284 HG SER 41 HG SER 41 10.077 4.820 7.949
285 H GLY 42 H GLY 42 12.606 3.137 7.936
286 HA2 GLY 42 1HA GLY 42 12.098 0.903 7.792
287 HA3 GLY 42 2HA GLY 42 10.517 1.436 7.241
288 HA PRO 43 HA PRO 43 12.369 -1.007 3.804
289 HB2 PRO 43 1HB PRO 43 10.042 -2.234 3.133
290 HB3 PRO 43 2HB PRO 43 11.118 -2.840 4.399
291 HG2 PRO 43 1HG PRO 43 8.618 -1.213 4.656
292 HG3 PRO 43 2HG PRO 43 9.151 -2.605 5.617
293 HD2 PRO 43 1HD PRO 43 9.415 -0.052 6.480
294 HD3 PRO 43 2HD PRO 43 10.571 -1.330 6.908
295 H SER 44 H SER 44 12.519 -0.190 1.810
296 HA SER 44 HA SER 44 10.214 1.146 0.607
297 HB2 SER 44 1HB SER 44 11.812 2.800 1.812
298 HB3 SER 44 2HB SER 44 12.907 2.480 0.467
299 HG SER 44 HG SER 44 10.265 3.096 -0.160
300 H SER 45 H SER 45 10.200 1.140 -1.641
301 HA SER 45 HA SER 45 12.400 -0.305 -2.955
302 HB2 SER 45 1HB SER 45 10.272 -1.696 -2.466
303 HB3 SER 45 2HB SER 45 9.531 -0.744 -3.751
304 HG SER 45 HG SER 45 12.012 -1.887 -4.285
305 H GLY 46 H GLY 46 12.409 -0.024 -5.337
306 HA2 GLY 46 1HA GLY 46 11.082 2.436 -6.239
307 HA3 GLY 46 2HA GLY 46 12.834 2.338 -6.341
Start of MODEL 11
1 H1 GLY 1 H GLY 1 6.534 -28.161 -26.897
2 HA2 GLY 1 1HA GLY 1 8.960 -26.610 -26.606
3 HA3 GLY 1 2HA GLY 1 7.516 -25.647 -26.883
4 H SER 2 H SER 2 8.507 -24.943 -24.666
5 HA SER 2 HA SER 2 7.999 -26.599 -22.411
6 HB2 SER 2 1HB SER 2 8.402 -23.605 -22.606
7 HB3 SER 2 2HB SER 2 8.370 -24.518 -21.098
8 HG SER 2 HG SER 2 10.501 -24.070 -22.111
9 H SER 3 H SER 3 6.408 -26.276 -20.762
10 HA SER 3 HA SER 3 3.997 -24.828 -21.595
11 HB2 SER 3 1HB SER 3 3.685 -27.184 -22.247
12 HB3 SER 3 2HB SER 3 4.015 -27.685 -20.588
13 HG SER 3 HG SER 3 1.868 -27.551 -20.598
14 H GLY 4 H GLY 4 2.436 -24.546 -19.797
15 HA2 GLY 4 1HA GLY 4 3.698 -24.679 -17.142
16 HA3 GLY 4 2HA GLY 4 3.072 -23.144 -17.724
17 H SER 5 H SER 5 1.606 -23.019 -15.993
18 HA SER 5 HA SER 5 -0.678 -24.867 -16.228
19 HB2 SER 5 1HB SER 5 -1.072 -24.428 -13.778
20 HB3 SER 5 2HB SER 5 0.399 -25.334 -14.131
21 HG SER 5 HG SER 5 0.284 -22.532 -13.687
22 H SER 6 H SER 6 -2.724 -23.878 -15.286
23 HA SER 6 HA SER 6 -2.852 -20.980 -15.710
24 HB2 SER 6 1HB SER 6 -3.494 -21.940 -17.848
25 HB3 SER 6 2HB SER 6 -4.647 -23.014 -17.056
26 HG SER 6 HG SER 6 -6.035 -21.435 -16.960
27 H GLY 7 H GLY 7 -4.627 -19.941 -14.696
28 HA2 GLY 7 1HA GLY 7 -6.758 -21.045 -13.377
29 HA3 GLY 7 2HA GLY 7 -5.423 -21.197 -12.244
30 H GLU 8 H GLU 8 -4.322 -19.234 -11.576
31 HA GLU 8 HA GLU 8 -5.861 -17.301 -10.515
32 HB2 GLU 8 1HB GLU 8 -3.922 -15.870 -10.382
33 HB3 GLU 8 2HB GLU 8 -3.419 -17.537 -10.147
34 HG2 GLU 8 1HG GLU 8 -2.380 -17.652 -12.215
35 HG3 GLU 8 2HG GLU 8 -3.279 -16.277 -12.853
36 H GLY 9 H GLY 9 -6.810 -15.390 -11.087
37 HA2 GLY 9 1HA GLY 9 -6.958 -14.868 -13.982
38 HA3 GLY 9 2HA GLY 9 -8.187 -14.423 -12.807
39 H GLU 10 H GLU 10 -7.888 -12.358 -14.097
40 HA GLU 10 HA GLU 10 -5.555 -10.809 -13.269
41 HB2 GLU 10 1HB GLU 10 -7.701 -10.441 -15.326
42 HB3 GLU 10 2HB GLU 10 -6.786 -9.048 -14.767
43 HG2 GLU 10 1HG GLU 10 -5.733 -9.824 -16.732
44 HG3 GLU 10 2HG GLU 10 -4.699 -10.286 -15.382
45 H LYS 11 H LYS 11 -5.628 -9.075 -11.920
46 HA LYS 11 HA LYS 11 -8.052 -8.777 -10.329
47 HB2 LYS 11 1HB LYS 11 -5.208 -7.850 -9.970
48 HB3 LYS 11 2HB LYS 11 -6.510 -7.287 -8.930
49 HG2 LYS 11 1HG LYS 11 -5.665 -9.037 -7.711
50 HG3 LYS 11 2HG LYS 11 -6.974 -9.825 -8.595
51 HD2 LYS 11 1HD LYS 11 -5.165 -10.356 -10.356
52 HD3 LYS 11 2HD LYS 11 -4.016 -9.972 -9.072
53 HE2 LYS 11 1HE LYS 11 -5.247 -11.642 -7.638
54 HE3 LYS 11 2HE LYS 11 -6.118 -12.127 -9.092
55 HZ1 LYS 11 3HZ LYS 11 -3.987 -13.387 -8.399
56 HZ2 LYS 11 1HZ LYS 11 -3.177 -12.080 -9.104
57 HZ3 LYS 11 2HZ LYS 11 -4.235 -13.018 -10.031
58 HA PRO 12 HA PRO 12 -9.323 -5.019 -12.229
59 HB2 PRO 12 1HB PRO 12 -10.702 -3.917 -10.166
60 HB3 PRO 12 2HB PRO 12 -11.307 -5.290 -11.102
61 HG2 PRO 12 1HG PRO 12 -9.946 -5.267 -8.435
62 HG3 PRO 12 2HG PRO 12 -11.357 -6.203 -8.964
63 HD2 PRO 12 1HD PRO 12 -8.870 -7.266 -8.831
64 HD3 PRO 12 2HD PRO 12 -10.065 -7.780 -10.039
65 H TYR 13 H TYR 13 -7.393 -5.060 -9.356
66 HA TYR 13 HA TYR 13 -6.129 -2.579 -10.113
67 HB2 TYR 13 1HB TYR 13 -7.425 -2.773 -7.388
68 HB3 TYR 13 2HB TYR 13 -6.513 -1.410 -8.027
69 HD1 TYR 13 HD1 TYR 13 -9.683 -3.268 -8.233
70 HD2 TYR 13 HD2 TYR 13 -7.523 0.155 -9.545
71 HE1 TYR 13 HE1 TYR 13 -11.765 -2.300 -9.115
72 HE2 TYR 13 HE2 TYR 13 -9.599 1.133 -10.430
73 HH TYR 13 HH TYR 13 -12.574 0.199 -9.596
74 H GLN 14 H GLN 14 -4.101 -3.312 -10.140
75 HA GLN 14 HA GLN 14 -3.037 -4.495 -7.675
76 HB2 GLN 14 1HB GLN 14 -3.412 -6.365 -9.165
77 HB3 GLN 14 2HB GLN 14 -2.581 -5.536 -10.474
78 HG2 GLN 14 1HG GLN 14 -0.545 -5.541 -8.915
79 HG3 GLN 14 2HG GLN 14 -1.432 -6.755 -7.996
80 HE21 GLN 14 1HE2 GLN 14 0.955 -7.426 -9.040
81 HE22 GLN 14 2HE2 GLN 14 0.756 -8.511 -10.370
82 H CYS 15 H CYS 15 -1.191 -3.591 -7.014
83 HA CYS 15 HA CYS 15 -0.031 -1.473 -8.603
84 HB2 CYS 15 1HB CYS 15 -0.373 -1.134 -6.204
85 HB3 CYS 15 2HB CYS 15 0.680 -2.500 -5.847
86 H SER 16 H SER 16 1.441 -1.910 -10.098
87 HA SER 16 HA SER 16 2.935 -4.342 -10.139
88 HB2 SER 16 1HB SER 16 2.154 -2.773 -12.109
89 HB3 SER 16 2HB SER 16 3.704 -1.984 -11.816
90 HG SER 16 HG SER 16 3.240 -4.696 -12.500
91 H GLU 17 H GLU 17 3.723 -0.958 -9.448
92 HA GLU 17 HA GLU 17 6.383 -0.858 -9.260
93 HB2 GLU 17 1HB GLU 17 4.280 0.196 -7.412
94 HB3 GLU 17 2HB GLU 17 5.974 0.405 -6.989
95 HG2 GLU 17 1HG GLU 17 4.886 2.316 -8.212
96 HG3 GLU 17 2HG GLU 17 6.399 1.718 -8.890
97 H CYS 18 H CYS 18 4.308 -2.430 -6.852
98 HA CYS 18 HA CYS 18 6.706 -3.783 -5.798
99 HB2 CYS 18 1HB CYS 18 5.520 -3.912 -3.617
100 HB3 CYS 18 2HB CYS 18 5.851 -2.258 -4.122
101 H GLY 19 H GLY 19 3.183 -4.074 -6.215
102 HA2 GLY 19 1HA GLY 19 2.397 -6.056 -7.447
103 HA3 GLY 19 2HA GLY 19 3.584 -6.984 -6.544
104 H LYS 20 H LYS 20 1.064 -4.621 -5.658
105 HA LYS 20 HA LYS 20 0.033 -6.609 -3.742
106 HB2 LYS 20 1HB LYS 20 1.203 -4.465 -2.856
107 HB3 LYS 20 2HB LYS 20 -0.274 -3.647 -3.350
108 HG2 LYS 20 1HG LYS 20 -1.572 -5.125 -1.892
109 HG3 LYS 20 2HG LYS 20 -0.081 -5.922 -1.385
110 HD2 LYS 20 1HD LYS 20 0.625 -3.430 -0.828
111 HD3 LYS 20 2HD LYS 20 -1.123 -3.220 -0.710
112 HE2 LYS 20 1HE LYS 20 0.213 -5.501 0.688
113 HE3 LYS 20 2HE LYS 20 0.252 -3.887 1.398
114 HZ1 LYS 20 3HZ LYS 20 -1.963 -5.736 1.130
115 HZ2 LYS 20 1HZ LYS 20 -2.334 -4.120 0.793
116 HZ3 LYS 20 2HZ LYS 20 -1.682 -4.543 2.295
117 H SER 21 H SER 21 -2.064 -7.122 -3.882
118 HA SER 21 HA SER 21 -3.660 -5.787 -5.930
119 HB2 SER 21 1HB SER 21 -3.499 -8.254 -5.967
120 HB3 SER 21 2HB SER 21 -4.235 -8.316 -4.366
121 HG SER 21 HG SER 21 -5.559 -6.951 -6.425
122 H PHE 22 H PHE 22 -5.461 -4.623 -5.531
123 HA PHE 22 HA PHE 22 -6.364 -4.422 -2.735
124 HB2 PHE 22 1HB PHE 22 -6.272 -2.138 -4.713
125 HB3 PHE 22 2HB PHE 22 -6.711 -2.047 -3.011
126 HD1 PHE 22 HD1 PHE 22 -3.888 -2.919 -5.264
127 HD2 PHE 22 HD2 PHE 22 -5.101 -1.555 -1.419
128 HE1 PHE 22 HE1 PHE 22 -1.540 -2.459 -4.689
129 HE2 PHE 22 HE2 PHE 22 -2.756 -1.093 -0.838
130 HZ PHE 22 HZ PHE 22 -0.971 -1.544 -2.475
131 H SER 23 H SER 23 -8.591 -3.305 -2.645
132 HA SER 23 HA SER 23 -10.273 -4.318 -4.842
133 HB2 SER 23 1HB SER 23 -10.336 -5.675 -2.674
134 HB3 SER 23 2HB SER 23 -11.140 -4.282 -1.951
135 HG SER 23 HG SER 23 -12.115 -6.166 -3.685
136 H GLY 24 H GLY 24 -9.352 -1.726 -4.849
137 HA2 GLY 24 1HA GLY 24 -11.773 -0.258 -4.996
138 HA3 GLY 24 2HA GLY 24 -10.885 0.198 -3.550
139 H SER 25 H SER 25 -11.331 0.829 -6.796
140 HA SER 25 HA SER 25 -8.969 1.454 -7.943
141 HB2 SER 25 1HB SER 25 -10.131 3.438 -8.984
142 HB3 SER 25 2HB SER 25 -11.010 1.915 -9.115
143 HG SER 25 HG SER 25 -12.563 3.114 -8.314
144 H TYR 26 H TYR 26 -10.736 3.742 -5.850
145 HA TYR 26 HA TYR 26 -8.752 5.690 -5.721
146 HB2 TYR 26 1HB TYR 26 -11.230 5.674 -4.860
147 HB3 TYR 26 2HB TYR 26 -10.499 5.149 -3.348
148 HD1 TYR 26 HD2 TYR 26 -8.554 6.625 -2.445
149 HD2 TYR 26 HD1 TYR 26 -11.389 7.942 -5.332
150 HE1 TYR 26 HE2 TYR 26 -8.034 8.962 -1.881
151 HE2 TYR 26 HE1 TYR 26 -10.876 10.283 -4.776
152 HH TYR 26 HH TYR 26 -9.923 11.503 -2.646
153 H ARG 27 H ARG 27 -9.431 3.064 -3.410
154 HA ARG 27 HA ARG 27 -7.555 3.476 -1.503
155 HB2 ARG 27 1HB ARG 27 -9.208 1.475 -1.920
156 HB3 ARG 27 2HB ARG 27 -7.787 0.709 -2.615
157 HG2 ARG 27 1HG ARG 27 -7.697 -0.024 -0.443
158 HG3 ARG 27 2HG ARG 27 -6.653 1.398 -0.378
159 HD2 ARG 27 1HD ARG 27 -8.309 2.699 0.662
160 HD3 ARG 27 2HD ARG 27 -9.585 1.556 0.248
161 HE ARG 27 HE ARG 27 -9.026 0.299 2.090
162 HH11 ARG 27 1HH1 ARG 27 -6.564 2.690 1.507
163 HH12 ARG 27 2HH1 ARG 27 -5.753 2.411 3.012
164 HH21 ARG 27 1HH2 ARG 27 -7.967 -0.078 4.075
165 HH22 ARG 27 2HH2 ARG 27 -6.551 0.835 4.471
166 H LEU 28 H LEU 28 -6.943 1.645 -4.503
167 HA LEU 28 HA LEU 28 -4.320 1.021 -4.243
168 HB2 LEU 28 1HB LEU 28 -5.686 0.458 -6.194
169 HB3 LEU 28 2HB LEU 28 -5.618 2.137 -6.726
170 HG LEU 28 HG LEU 28 -3.038 1.727 -6.747
171 HD11 LEU 28 1HD1 LEU 28 -3.656 -1.034 -7.531
172 HD12 LEU 28 2HD1 LEU 28 -3.744 -0.709 -5.801
173 HD13 LEU 28 3HD1 LEU 28 -2.255 -0.375 -6.686
174 HD21 LEU 28 3HD2 LEU 28 -4.410 0.276 -8.942
175 HD22 LEU 28 1HD2 LEU 28 -3.189 1.547 -9.010
176 HD23 LEU 28 2HD2 LEU 28 -4.868 1.956 -8.657
177 H THR 29 H THR 29 -5.578 4.155 -5.347
178 HA THR 29 HA THR 29 -3.177 5.432 -5.881
179 HB THR 29 HB THR 29 -5.580 6.772 -4.632
180 HG1 THR 29 HG1 THR 29 -6.118 7.081 -6.949
181 HG21 THR 29 3HG2 THR 29 -4.817 8.757 -5.627
182 HG22 THR 29 1HG2 THR 29 -3.692 7.902 -6.681
183 HG23 THR 29 2HG2 THR 29 -3.364 8.021 -4.952
184 H GLN 30 H GLN 30 -4.951 5.247 -2.806
185 HA GLN 30 HA GLN 30 -3.337 6.864 -1.252
186 HB2 GLN 30 1HB GLN 30 -4.871 4.368 -0.531
187 HB3 GLN 30 2HB GLN 30 -4.077 5.382 0.667
188 HG2 GLN 30 1HG GLN 30 -5.447 7.296 -0.151
189 HG3 GLN 30 2HG GLN 30 -6.325 6.159 -1.173
190 HE21 GLN 30 1HE2 GLN 30 -6.826 7.863 1.385
191 HE22 GLN 30 2HE2 GLN 30 -7.714 6.775 2.391
192 H HIS 31 H HIS 31 -3.014 3.367 -1.822
193 HA HIS 31 HA HIS 31 -0.683 3.031 -0.270
194 HB2 HIS 31 1HB HIS 31 -1.717 1.015 -0.706
195 HB3 HIS 31 2HB HIS 31 -2.075 1.438 -2.378
196 HD1 HIS 31 HD1 HIS 31 0.326 -0.370 -0.292
197 HD2 HIS 31 HD2 HIS 31 0.220 1.200 -4.136
198 HE1 HIS 31 HE1 HIS 31 2.236 -1.456 -1.514
199 H TRP 32 H TRP 32 -1.088 3.338 -3.797
200 HA TRP 32 HA TRP 32 1.443 3.171 -4.707
201 HB2 TRP 32 1HB TRP 32 -0.861 4.883 -5.492
202 HB3 TRP 32 2HB TRP 32 0.707 5.262 -6.201
203 HD1 TRP 32 HD1 TRP 32 -1.030 1.835 -5.590
204 HE1 TRP 32 HE1 TRP 32 -1.004 0.536 -7.812
205 HE3 TRP 32 HE3 TRP 32 1.189 5.353 -8.561
206 HZ2 TRP 32 HZ2 TRP 32 -0.155 0.948 -10.472
207 HZ3 TRP 32 HZ3 TRP 32 1.573 4.822 -10.933
208 HH2 TRP 32 HH2 TRP 32 0.915 2.664 -11.866
209 H ILE 33 H ILE 33 0.099 5.848 -2.875
210 HA ILE 33 HA ILE 33 1.837 7.882 -3.186
211 HB ILE 33 HB ILE 33 0.867 6.826 -0.528
212 HG12 ILE 33 1HG1 ILE 33 -0.247 8.984 -2.333
213 HG13 ILE 33 2HG1 ILE 33 -0.920 7.368 -2.148
214 HG21 ILE 33 1HG2 ILE 33 2.834 8.418 -0.462
215 HG22 ILE 33 2HG2 ILE 33 1.751 9.634 -1.137
216 HG23 ILE 33 3HG2 ILE 33 1.400 8.915 0.435
217 HD11 ILE 33 3HD1 ILE 33 -2.072 9.189 -0.868
218 HD12 ILE 33 1HD1 ILE 33 -1.561 7.797 0.085
219 HD13 ILE 33 2HD1 ILE 33 -0.627 9.292 0.138
220 H THR 34 H THR 34 2.453 4.981 -1.239
221 HA THR 34 HA THR 34 4.840 5.573 -0.063
222 HB THR 34 HB THR 34 3.629 3.406 0.172
223 HG1 THR 34 HG1 THR 34 5.721 2.146 0.101
224 HG21 THR 34 3HG2 THR 34 3.301 2.994 -2.249
225 HG22 THR 34 1HG2 THR 34 4.025 1.621 -1.414
226 HG23 THR 34 2HG2 THR 34 5.030 2.680 -2.403
227 H HIS 35 H HIS 35 4.338 4.532 -3.412
228 HA HIS 35 HA HIS 35 7.140 4.559 -4.036
229 HB2 HIS 35 1HB HIS 35 4.799 4.542 -5.948
230 HB3 HIS 35 2HB HIS 35 6.458 4.071 -6.304
231 HD1 HIS 35 HD1 HIS 35 7.242 2.013 -4.469
232 HD2 HIS 35 HD2 HIS 35 3.263 2.359 -5.614
233 HE1 HIS 35 HE1 HIS 35 6.213 -0.235 -4.013
234 H THR 36 H THR 36 4.410 6.741 -4.494
235 HA THR 36 HA THR 36 5.290 8.586 -6.255
236 HB THR 36 HB THR 36 4.059 9.307 -3.589
237 HG1 THR 36 HG1 THR 36 2.134 9.258 -5.181
238 HG21 THR 36 3HG2 THR 36 3.225 11.272 -4.698
239 HG22 THR 36 1HG2 THR 36 3.887 10.736 -6.242
240 HG23 THR 36 2HG2 THR 36 4.972 11.201 -4.932
241 H ARG 37 H ARG 37 6.375 8.268 -2.906
242 HA ARG 37 HA ARG 37 8.459 10.277 -3.455
243 HB2 ARG 37 1HB ARG 37 8.611 10.425 -0.928
244 HB3 ARG 37 2HB ARG 37 7.140 11.061 -1.651
245 HG2 ARG 37 1HG ARG 37 5.837 9.336 -0.849
246 HG3 ARG 37 2HG ARG 37 7.213 8.245 -0.667
247 HD2 ARG 37 1HD ARG 37 6.649 10.685 1.015
248 HD3 ARG 37 2HD ARG 37 6.385 9.011 1.502
249 HE ARG 37 HE ARG 37 9.082 9.465 0.710
250 HH11 ARG 37 1HH1 ARG 37 6.829 9.910 3.326
251 HH12 ARG 37 2HH1 ARG 37 8.053 9.915 4.552
252 HH21 ARG 37 1HH2 ARG 37 10.703 9.470 2.315
253 HH22 ARG 37 2HH2 ARG 37 10.256 9.666 3.976
254 H GLU 38 H GLU 38 10.406 9.454 -3.794
255 HA GLU 38 HA GLU 38 11.050 6.812 -2.691
256 HB2 GLU 38 1HB GLU 38 11.987 8.362 -5.064
257 HB3 GLU 38 2HB GLU 38 13.087 7.200 -4.336
258 HG2 GLU 38 1HG GLU 38 11.552 5.407 -4.714
259 HG3 GLU 38 2HG GLU 38 10.302 6.529 -5.250
260 H LYS 39 H LYS 39 11.450 7.655 -0.565
261 HA LYS 39 HA LYS 39 14.196 8.558 -0.265
262 HB2 LYS 39 1HB LYS 39 11.805 10.156 0.583
263 HB3 LYS 39 2HB LYS 39 13.290 10.241 1.521
264 HG2 LYS 39 1HG LYS 39 14.493 10.897 -0.552
265 HG3 LYS 39 2HG LYS 39 12.936 10.953 -1.382
266 HD2 LYS 39 1HD LYS 39 12.160 12.701 0.071
267 HD3 LYS 39 2HD LYS 39 13.599 12.560 1.083
268 HE2 LYS 39 1HE LYS 39 14.992 13.436 -0.617
269 HE3 LYS 39 2HE LYS 39 13.731 13.267 -1.838
270 HZ1 LYS 39 3HZ LYS 39 14.295 15.511 -0.365
271 HZ2 LYS 39 1HZ LYS 39 12.874 14.906 0.326
272 HZ3 LYS 39 2HZ LYS 39 12.927 15.256 -1.327
273 HA PRO 40 HA PRO 40 14.161 5.869 3.204
274 HB2 PRO 40 1HB PRO 40 15.957 7.077 4.844
275 HB3 PRO 40 2HB PRO 40 16.425 6.230 3.364
276 HG2 PRO 40 1HG PRO 40 16.056 9.164 3.833
277 HG3 PRO 40 2HG PRO 40 17.338 8.326 2.939
278 HD2 PRO 40 1HD PRO 40 15.247 9.526 1.706
279 HD3 PRO 40 2HD PRO 40 16.033 8.072 1.056
280 H SER 41 H SER 41 13.446 5.622 5.355
281 HA SER 41 HA SER 41 11.249 6.858 6.219
282 HB2 SER 41 1HB SER 41 13.460 6.103 8.142
283 HB3 SER 41 2HB SER 41 11.728 6.138 8.473
284 HG SER 41 HG SER 41 13.210 4.158 7.418
285 H GLY 42 H GLY 42 10.752 8.939 6.389
286 HA2 GLY 42 1HA GLY 42 12.761 10.931 6.956
287 HA3 GLY 42 2HA GLY 42 11.057 11.225 6.641
288 HA PRO 43 HA PRO 43 12.256 11.246 11.309
289 HB2 PRO 43 1HB PRO 43 12.989 13.836 11.658
290 HB3 PRO 43 2HB PRO 43 14.146 12.552 11.288
291 HG2 PRO 43 1HG PRO 43 12.895 14.562 9.455
292 HG3 PRO 43 2HG PRO 43 14.578 14.008 9.527
293 HD2 PRO 43 1HD PRO 43 12.818 13.084 7.689
294 HD3 PRO 43 2HD PRO 43 14.126 12.081 8.346
295 H SER 44 H SER 44 9.982 11.009 11.452
296 HA SER 44 HA SER 44 8.159 13.118 10.942
297 HB2 SER 44 1HB SER 44 8.025 10.460 12.287
298 HB3 SER 44 2HB SER 44 6.731 11.612 12.613
299 HG SER 44 HG SER 44 6.905 11.763 10.099
300 H SER 45 H SER 45 8.606 15.002 11.975
301 HA SER 45 HA SER 45 9.239 15.044 14.797
302 HB2 SER 45 1HB SER 45 8.996 17.146 12.661
303 HB3 SER 45 2HB SER 45 9.096 17.599 14.362
304 HG SER 45 HG SER 45 10.969 15.766 13.428
305 H GLY 46 H GLY 46 7.974 15.945 16.431
306 HA2 GLY 46 1HA GLY 46 5.173 16.536 15.729
307 HA3 GLY 46 2HA GLY 46 5.539 15.378 17.000
Start of MODEL 12
1 H1 GLY 1 H GLY 1 14.664 -13.864 -3.713
2 HA2 GLY 1 1HA GLY 1 15.115 -16.513 -3.277
3 HA3 GLY 1 2HA GLY 1 14.194 -16.019 -1.864
4 H SER 2 H SER 2 12.762 -17.733 -2.867
5 HA SER 2 HA SER 2 10.587 -16.412 -4.188
6 HB2 SER 2 1HB SER 2 10.508 -17.826 -6.175
7 HB3 SER 2 2HB SER 2 12.041 -16.956 -6.121
8 HG SER 2 HG SER 2 11.714 -19.597 -5.148
9 H SER 3 H SER 3 8.705 -17.319 -3.606
10 HA SER 3 HA SER 3 8.641 -20.118 -2.771
11 HB2 SER 3 1HB SER 3 7.667 -17.849 -1.017
12 HB3 SER 3 2HB SER 3 7.479 -19.569 -0.673
13 HG SER 3 HG SER 3 9.901 -18.103 -0.858
14 H GLY 4 H GLY 4 6.281 -20.722 -2.182
15 HA2 GLY 4 1HA GLY 4 4.684 -20.181 -4.466
16 HA3 GLY 4 2HA GLY 4 4.181 -21.083 -3.044
17 H SER 5 H SER 5 2.631 -19.192 -4.592
18 HA SER 5 HA SER 5 1.981 -17.319 -2.425
19 HB2 SER 5 1HB SER 5 3.248 -16.101 -4.178
20 HB3 SER 5 2HB SER 5 2.033 -16.583 -5.362
21 HG SER 5 HG SER 5 1.296 -14.667 -4.727
22 H SER 6 H SER 6 -0.229 -16.525 -2.490
23 HA SER 6 HA SER 6 -2.035 -18.526 -3.658
24 HB2 SER 6 1HB SER 6 -2.513 -16.581 -1.386
25 HB3 SER 6 2HB SER 6 -3.663 -17.788 -1.962
26 HG SER 6 HG SER 6 -2.718 -18.994 -0.515
27 H GLY 7 H GLY 7 -3.721 -17.956 -4.966
28 HA2 GLY 7 1HA GLY 7 -3.616 -15.234 -6.044
29 HA3 GLY 7 2HA GLY 7 -4.376 -16.621 -6.810
30 H GLU 8 H GLU 8 -6.309 -17.515 -5.574
31 HA GLU 8 HA GLU 8 -8.446 -17.207 -4.857
32 HB2 GLU 8 1HB GLU 8 -7.073 -16.512 -2.793
33 HB3 GLU 8 2HB GLU 8 -7.464 -14.860 -3.249
34 HG2 GLU 8 1HG GLU 8 -9.019 -15.585 -1.591
35 HG3 GLU 8 2HG GLU 8 -9.866 -15.441 -3.131
36 H GLY 9 H GLY 9 -7.833 -16.032 -7.295
37 HA2 GLY 9 1HA GLY 9 -9.102 -14.743 -8.768
38 HA3 GLY 9 2HA GLY 9 -9.881 -13.978 -7.391
39 H GLU 10 H GLU 10 -8.166 -13.223 -9.962
40 HA GLU 10 HA GLU 10 -6.368 -11.329 -8.627
41 HB2 GLU 10 1HB GLU 10 -5.294 -11.053 -10.786
42 HB3 GLU 10 2HB GLU 10 -5.400 -12.762 -10.386
43 HG2 GLU 10 1HG GLU 10 -7.160 -13.110 -11.925
44 HG3 GLU 10 2HG GLU 10 -7.392 -11.378 -12.155
45 H LYS 11 H LYS 11 -6.568 -9.145 -8.842
46 HA LYS 11 HA LYS 11 -9.026 -8.194 -10.153
47 HB2 LYS 11 1HB LYS 11 -7.546 -7.312 -7.706
48 HB3 LYS 11 2HB LYS 11 -8.509 -6.139 -8.596
49 HG2 LYS 11 1HG LYS 11 -9.871 -6.995 -6.859
50 HG3 LYS 11 2HG LYS 11 -10.455 -7.700 -8.368
51 HD2 LYS 11 1HD LYS 11 -9.136 -9.738 -7.875
52 HD3 LYS 11 2HD LYS 11 -8.675 -9.030 -6.325
53 HE2 LYS 11 1HE LYS 11 -10.493 -10.474 -5.879
54 HE3 LYS 11 2HE LYS 11 -11.141 -8.835 -5.822
55 HZ1 LYS 11 3HZ LYS 11 -12.131 -9.101 -7.929
56 HZ2 LYS 11 1HZ LYS 11 -12.507 -10.508 -7.068
57 HZ3 LYS 11 2HZ LYS 11 -11.291 -10.536 -8.243
58 HA PRO 12 HA PRO 12 -6.611 -5.928 -13.052
59 HB2 PRO 12 1HB PRO 12 -8.414 -4.010 -13.716
60 HB3 PRO 12 2HB PRO 12 -8.553 -5.688 -14.256
61 HG2 PRO 12 1HG PRO 12 -9.941 -4.306 -11.992
62 HG3 PRO 12 2HG PRO 12 -10.603 -5.435 -13.188
63 HD2 PRO 12 1HD PRO 12 -9.940 -6.198 -10.677
64 HD3 PRO 12 2HD PRO 12 -9.800 -7.285 -12.073
65 H TYR 13 H TYR 13 -7.309 -4.864 -10.008
66 HA TYR 13 HA TYR 13 -6.140 -2.202 -10.436
67 HB2 TYR 13 1HB TYR 13 -7.698 -3.344 -8.113
68 HB3 TYR 13 2HB TYR 13 -6.924 -1.763 -8.085
69 HD1 TYR 13 HD1 TYR 13 -9.344 -3.747 -10.126
70 HD2 TYR 13 HD2 TYR 13 -8.156 0.090 -8.722
71 HE1 TYR 13 HE1 TYR 13 -11.346 -2.757 -11.156
72 HE2 TYR 13 HE2 TYR 13 -10.155 1.091 -9.747
73 HH TYR 13 HH TYR 13 -12.190 -0.673 -11.909
74 H GLN 14 H GLN 14 -4.377 -4.288 -10.669
75 HA GLN 14 HA GLN 14 -3.036 -4.662 -8.122
76 HB2 GLN 14 1HB GLN 14 -3.129 -6.559 -9.622
77 HB3 GLN 14 2HB GLN 14 -2.376 -5.625 -10.908
78 HG2 GLN 14 1HG GLN 14 -0.310 -5.513 -9.690
79 HG3 GLN 14 2HG GLN 14 -1.049 -6.292 -8.292
80 HE21 GLN 14 1HE2 GLN 14 1.193 -7.374 -9.250
81 HE22 GLN 14 2HE2 GLN 14 0.867 -8.852 -10.083
82 H CYS 15 H CYS 15 -1.062 -3.820 -7.551
83 HA CYS 15 HA CYS 15 -0.339 -1.335 -8.796
84 HB2 CYS 15 1HB CYS 15 -0.087 -1.239 -6.490
85 HB3 CYS 15 2HB CYS 15 0.586 -2.863 -6.393
86 H SER 16 H SER 16 0.803 -1.297 -10.613
87 HA SER 16 HA SER 16 2.660 -3.440 -11.243
88 HB2 SER 16 1HB SER 16 1.084 -2.478 -12.951
89 HB3 SER 16 2HB SER 16 2.014 -0.982 -12.884
90 HG SER 16 HG SER 16 2.507 -2.897 -14.469
91 H GLU 17 H GLU 17 3.512 -2.045 -9.037
92 HA GLU 17 HA GLU 17 5.921 -0.731 -10.084
93 HB2 GLU 17 1HB GLU 17 3.972 0.320 -8.088
94 HB3 GLU 17 2HB GLU 17 5.678 0.661 -7.836
95 HG2 GLU 17 1HG GLU 17 4.228 1.272 -10.396
96 HG3 GLU 17 2HG GLU 17 4.395 2.420 -9.069
97 H CYS 18 H CYS 18 4.351 -2.502 -7.490
98 HA CYS 18 HA CYS 18 6.985 -3.512 -6.671
99 HB2 CYS 18 1HB CYS 18 6.475 -3.314 -4.353
100 HB3 CYS 18 2HB CYS 18 6.104 -1.753 -5.077
101 H GLY 19 H GLY 19 3.473 -3.971 -6.615
102 HA2 GLY 19 1HA GLY 19 2.723 -6.159 -7.518
103 HA3 GLY 19 2HA GLY 19 3.960 -6.884 -6.503
104 H LYS 20 H LYS 20 0.916 -5.103 -6.455
105 HA LYS 20 HA LYS 20 0.168 -6.537 -4.030
106 HB2 LYS 20 1HB LYS 20 0.230 -3.530 -4.269
107 HB3 LYS 20 2HB LYS 20 -0.738 -4.368 -3.063
108 HG2 LYS 20 1HG LYS 20 2.195 -4.901 -3.289
109 HG3 LYS 20 2HG LYS 20 1.598 -3.487 -2.417
110 HD2 LYS 20 1HD LYS 20 0.257 -4.934 -0.977
111 HD3 LYS 20 2HD LYS 20 0.825 -6.352 -1.861
112 HE2 LYS 20 1HE LYS 20 2.974 -6.180 -1.006
113 HE3 LYS 20 2HE LYS 20 2.786 -4.473 -0.607
114 HZ1 LYS 20 3HZ LYS 20 1.068 -6.400 0.770
115 HZ2 LYS 20 1HZ LYS 20 1.725 -4.945 1.331
116 HZ3 LYS 20 2HZ LYS 20 2.694 -6.327 1.229
117 H SER 21 H SER 21 -2.104 -6.605 -3.657
118 HA SER 21 HA SER 21 -3.682 -5.968 -6.062
119 HB2 SER 21 1HB SER 21 -5.123 -7.841 -5.502
120 HB3 SER 21 2HB SER 21 -3.449 -8.394 -5.546
121 HG SER 21 HG SER 21 -4.698 -7.577 -3.145
122 H PHE 22 H PHE 22 -5.603 -4.898 -5.869
123 HA PHE 22 HA PHE 22 -6.584 -4.237 -3.194
124 HB2 PHE 22 1HB PHE 22 -5.860 -2.205 -5.311
125 HB3 PHE 22 2HB PHE 22 -6.834 -1.836 -3.891
126 HD1 PHE 22 HD1 PHE 22 -3.501 -3.027 -4.978
127 HD2 PHE 22 HD2 PHE 22 -5.829 -1.343 -1.837
128 HE1 PHE 22 HE1 PHE 22 -1.449 -2.603 -3.688
129 HE2 PHE 22 HE2 PHE 22 -3.781 -0.916 -0.543
130 HZ PHE 22 HZ PHE 22 -1.587 -1.546 -1.468
131 H SER 23 H SER 23 -8.704 -2.930 -3.417
132 HA SER 23 HA SER 23 -10.241 -3.918 -5.724
133 HB2 SER 23 1HB SER 23 -10.552 -5.182 -3.466
134 HB3 SER 23 2HB SER 23 -11.474 -3.757 -2.988
135 HG SER 23 HG SER 23 -12.648 -5.575 -4.030
136 H GLY 24 H GLY 24 -9.679 -1.658 -6.402
137 HA2 GLY 24 1HA GLY 24 -11.597 0.048 -6.785
138 HA3 GLY 24 2HA GLY 24 -11.338 0.375 -5.078
139 H SER 25 H SER 25 -11.027 2.124 -7.429
140 HA SER 25 HA SER 25 -8.303 2.533 -8.016
141 HB2 SER 25 1HB SER 25 -10.693 4.376 -8.149
142 HB3 SER 25 2HB SER 25 -9.086 4.851 -8.698
143 HG SER 25 HG SER 25 -9.269 3.574 -10.387
144 H TYR 26 H TYR 26 -10.454 4.210 -5.726
145 HA TYR 26 HA TYR 26 -8.655 6.014 -4.667
146 HB2 TYR 26 1HB TYR 26 -10.925 6.221 -4.027
147 HB3 TYR 26 2HB TYR 26 -10.988 4.571 -3.418
148 HD1 TYR 26 HD1 TYR 26 -9.147 7.766 -2.798
149 HD2 TYR 26 HD2 TYR 26 -10.882 4.256 -1.133
150 HE1 TYR 26 HE1 TYR 26 -8.628 8.589 -0.539
151 HE2 TYR 26 HE2 TYR 26 -10.370 5.069 1.131
152 HH TYR 26 HH TYR 26 -8.235 7.495 1.773
153 H ARG 27 H ARG 27 -9.410 2.777 -3.371
154 HA ARG 27 HA ARG 27 -7.632 2.690 -1.284
155 HB2 ARG 27 1HB ARG 27 -9.353 0.927 -2.176
156 HB3 ARG 27 2HB ARG 27 -7.957 0.272 -3.021
157 HG2 ARG 27 1HG ARG 27 -8.130 -0.937 -1.013
158 HG3 ARG 27 2HG ARG 27 -6.795 0.194 -0.781
159 HD2 ARG 27 1HD ARG 27 -7.942 0.467 1.189
160 HD3 ARG 27 2HD ARG 27 -8.669 1.734 0.202
161 HE ARG 27 HE ARG 27 -10.652 0.561 0.193
162 HH11 ARG 27 1HH1 ARG 27 -8.106 -1.418 1.505
163 HH12 ARG 27 2HH1 ARG 27 -9.181 -2.648 2.081
164 HH21 ARG 27 1HH2 ARG 27 -12.078 -1.053 0.946
165 HH22 ARG 27 2HH2 ARG 27 -11.440 -2.440 1.762
166 H LEU 28 H LEU 28 -6.960 1.330 -4.517
167 HA LEU 28 HA LEU 28 -4.355 0.659 -4.287
168 HB2 LEU 28 1HB LEU 28 -5.737 0.450 -6.334
169 HB3 LEU 28 2HB LEU 28 -5.492 2.169 -6.635
170 HG LEU 28 HG LEU 28 -3.016 1.668 -6.753
171 HD11 LEU 28 1HD1 LEU 28 -3.775 -1.167 -7.279
172 HD12 LEU 28 2HD1 LEU 28 -3.477 -0.642 -5.622
173 HD13 LEU 28 3HD1 LEU 28 -2.211 -0.481 -6.840
174 HD21 LEU 28 3HD2 LEU 28 -5.015 1.535 -8.664
175 HD22 LEU 28 1HD2 LEU 28 -4.055 0.082 -8.946
176 HD23 LEU 28 2HD2 LEU 28 -3.281 1.667 -8.964
177 H THR 29 H THR 29 -5.523 3.934 -5.039
178 HA THR 29 HA THR 29 -3.135 5.258 -5.330
179 HB THR 29 HB THR 29 -5.568 6.340 -3.895
180 HG1 THR 29 HG1 THR 29 -4.880 6.193 -6.653
181 HG21 THR 29 3HG2 THR 29 -4.727 8.457 -4.169
182 HG22 THR 29 1HG2 THR 29 -3.736 8.003 -5.554
183 HG23 THR 29 2HG2 THR 29 -3.227 7.564 -3.924
184 H GLN 30 H GLN 30 -4.933 4.875 -2.271
185 HA GLN 30 HA GLN 30 -3.295 6.112 -0.507
186 HB2 GLN 30 1HB GLN 30 -4.868 3.569 -0.264
187 HB3 GLN 30 2HB GLN 30 -3.907 4.150 1.089
188 HG2 GLN 30 1HG GLN 30 -5.883 5.939 -0.265
189 HG3 GLN 30 2HG GLN 30 -6.396 4.780 0.960
190 HE21 GLN 30 1HE2 GLN 30 -6.314 5.398 3.004
191 HE22 GLN 30 2HE2 GLN 30 -5.452 6.766 3.612
192 H HIS 31 H HIS 31 -2.853 2.804 -1.725
193 HA HIS 31 HA HIS 31 -0.439 2.356 -0.278
194 HB2 HIS 31 1HB HIS 31 -1.566 0.393 -0.869
195 HB3 HIS 31 2HB HIS 31 -1.842 0.935 -2.522
196 HD1 HIS 31 HD1 HIS 31 0.792 -0.571 -0.315
197 HD2 HIS 31 HD2 HIS 31 0.200 0.367 -4.319
198 HE1 HIS 31 HE1 HIS 31 2.677 -1.685 -1.553
199 H TRP 32 H TRP 32 -1.207 3.485 -3.522
200 HA TRP 32 HA TRP 32 1.360 3.359 -4.633
201 HB2 TRP 32 1HB TRP 32 -1.130 4.881 -5.222
202 HB3 TRP 32 2HB TRP 32 0.363 5.448 -5.965
203 HD1 TRP 32 HD1 TRP 32 -1.086 1.863 -5.516
204 HE1 TRP 32 HE1 TRP 32 -1.009 0.696 -7.809
205 HE3 TRP 32 HE3 TRP 32 0.825 5.693 -8.313
206 HZ2 TRP 32 HZ2 TRP 32 -0.240 1.316 -10.453
207 HZ3 TRP 32 HZ3 TRP 32 1.201 5.324 -10.716
208 HH2 TRP 32 HH2 TRP 32 0.679 3.180 -11.762
209 H ILE 33 H ILE 33 -0.060 5.593 -2.390
210 HA ILE 33 HA ILE 33 1.591 7.815 -2.737
211 HB ILE 33 HB ILE 33 0.389 6.771 -0.171
212 HG12 ILE 33 1HG1 ILE 33 -0.614 8.802 -2.178
213 HG13 ILE 33 2HG1 ILE 33 -1.289 7.201 -1.894
214 HG21 ILE 33 1HG2 ILE 33 0.642 9.589 -0.176
215 HG22 ILE 33 2HG2 ILE 33 1.435 8.420 0.879
216 HG23 ILE 33 3HG2 ILE 33 2.206 8.911 -0.628
217 HD11 ILE 33 3HD1 ILE 33 -2.225 9.474 -0.790
218 HD12 ILE 33 1HD1 ILE 33 -2.430 7.870 -0.088
219 HD13 ILE 33 2HD1 ILE 33 -1.130 8.920 0.476
220 H THR 34 H THR 34 2.183 4.758 -1.166
221 HA THR 34 HA THR 34 4.478 5.528 0.310
222 HB THR 34 HB THR 34 4.942 3.149 0.544
223 HG1 THR 34 HG1 THR 34 3.189 1.797 -0.608
224 HG21 THR 34 3HG2 THR 34 2.056 3.968 0.772
225 HG22 THR 34 1HG2 THR 34 3.277 3.890 2.042
226 HG23 THR 34 2HG2 THR 34 2.638 2.403 1.342
227 H HIS 35 H HIS 35 3.951 4.971 -3.014
228 HA HIS 35 HA HIS 35 6.737 4.348 -3.580
229 HB2 HIS 35 1HB HIS 35 4.371 4.734 -5.426
230 HB3 HIS 35 2HB HIS 35 5.983 4.250 -5.943
231 HD1 HIS 35 HD1 HIS 35 6.671 2.075 -3.973
232 HD2 HIS 35 HD2 HIS 35 2.897 2.479 -5.661
233 HE1 HIS 35 HE1 HIS 35 5.614 -0.200 -3.807
234 H THR 36 H THR 36 4.440 6.992 -3.970
235 HA THR 36 HA THR 36 6.335 8.662 -5.365
236 HB THR 36 HB THR 36 3.962 8.900 -5.870
237 HG1 THR 36 HG1 THR 36 3.991 11.102 -5.890
238 HG21 THR 36 3HG2 THR 36 3.443 8.460 -3.290
239 HG22 THR 36 1HG2 THR 36 2.316 9.311 -4.346
240 HG23 THR 36 2HG2 THR 36 3.383 10.223 -3.277
241 H ARG 37 H ARG 37 5.314 8.137 -2.085
242 HA ARG 37 HA ARG 37 6.784 10.506 -1.178
243 HB2 ARG 37 1HB ARG 37 4.917 8.644 0.301
244 HB3 ARG 37 2HB ARG 37 5.747 10.012 1.031
245 HG2 ARG 37 1HG ARG 37 3.869 10.280 -1.300
246 HG3 ARG 37 2HG ARG 37 3.358 10.409 0.384
247 HD2 ARG 37 1HD ARG 37 5.365 12.137 0.470
248 HD3 ARG 37 2HD ARG 37 5.014 12.255 -1.254
249 HE ARG 37 HE ARG 37 3.019 13.298 -0.758
250 HH11 ARG 37 1HH1 ARG 37 4.461 12.033 2.147
251 HH12 ARG 37 2HH1 ARG 37 3.375 12.869 3.207
252 HH21 ARG 37 1HH2 ARG 37 1.583 14.405 0.627
253 HH22 ARG 37 2HH2 ARG 37 1.738 14.218 2.341
254 H GLU 38 H GLU 38 8.034 10.168 0.920
255 HA GLU 38 HA GLU 38 9.691 7.759 0.612
256 HB2 GLU 38 1HB GLU 38 10.286 10.516 1.658
257 HB3 GLU 38 2HB GLU 38 11.339 9.155 2.014
258 HG2 GLU 38 1HG GLU 38 11.599 8.784 -0.423
259 HG3 GLU 38 2HG GLU 38 10.660 10.250 -0.704
260 H LYS 39 H LYS 39 8.087 6.548 1.844
261 HA LYS 39 HA LYS 39 8.438 6.945 4.741
262 HB2 LYS 39 1HB LYS 39 5.932 5.856 3.457
263 HB3 LYS 39 2HB LYS 39 6.173 6.269 5.149
264 HG2 LYS 39 1HG LYS 39 6.532 8.413 3.128
265 HG3 LYS 39 2HG LYS 39 4.892 7.868 3.488
266 HD2 LYS 39 1HD LYS 39 5.095 9.501 5.069
267 HD3 LYS 39 2HD LYS 39 5.748 8.138 5.982
268 HE2 LYS 39 1HE LYS 39 7.190 10.061 6.241
269 HE3 LYS 39 2HE LYS 39 8.021 8.815 5.311
270 HZ1 LYS 39 3HZ LYS 39 7.212 11.469 4.519
271 HZ2 LYS 39 1HZ LYS 39 6.847 10.271 3.382
272 HZ3 LYS 39 2HZ LYS 39 8.441 10.483 3.904
273 HA PRO 40 HA PRO 40 9.866 2.790 4.872
274 HB2 PRO 40 1HB PRO 40 9.187 2.130 7.416
275 HB3 PRO 40 2HB PRO 40 10.518 3.226 7.031
276 HG2 PRO 40 1HG PRO 40 7.722 3.869 7.885
277 HG3 PRO 40 2HG PRO 40 9.249 4.599 8.414
278 HD2 PRO 40 1HD PRO 40 7.631 5.769 6.585
279 HD3 PRO 40 2HD PRO 40 9.397 5.944 6.548
280 H SER 41 H SER 41 8.686 1.497 3.538
281 HA SER 41 HA SER 41 5.941 0.899 3.889
282 HB2 SER 41 1HB SER 41 7.488 0.677 1.778
283 HB3 SER 41 2HB SER 41 7.781 -0.946 2.404
284 HG SER 41 HG SER 41 5.950 -0.633 0.887
285 H GLY 42 H GLY 42 8.897 -0.947 4.605
286 HA2 GLY 42 1HA GLY 42 8.777 -2.099 6.840
287 HA3 GLY 42 2HA GLY 42 7.246 -2.746 6.269
288 HA PRO 43 HA PRO 43 10.982 -5.471 5.122
289 HB2 PRO 43 1HB PRO 43 10.630 -7.428 6.971
290 HB3 PRO 43 2HB PRO 43 11.649 -6.012 7.253
291 HG2 PRO 43 1HG PRO 43 8.838 -6.530 8.143
292 HG3 PRO 43 2HG PRO 43 10.186 -5.824 9.052
293 HD2 PRO 43 1HD PRO 43 8.234 -4.316 7.936
294 HD3 PRO 43 2HD PRO 43 9.907 -3.746 8.096
295 H SER 44 H SER 44 10.688 -8.084 4.994
296 HA SER 44 HA SER 44 9.644 -9.785 3.903
297 HB2 SER 44 1HB SER 44 7.166 -8.430 4.995
298 HB3 SER 44 2HB SER 44 7.187 -10.027 4.247
299 HG SER 44 HG SER 44 8.935 -10.384 5.958
300 H SER 45 H SER 45 10.423 -7.659 2.332
301 HA SER 45 HA SER 45 8.270 -7.544 0.323
302 HB2 SER 45 1HB SER 45 10.330 -5.451 1.038
303 HB3 SER 45 2HB SER 45 9.355 -5.384 -0.430
304 HG SER 45 HG SER 45 7.522 -5.198 0.808
305 H GLY 46 H GLY 46 9.066 -9.467 -0.646
306 HA2 GLY 46 1HA GLY 46 11.742 -9.279 -1.851
307 HA3 GLY 46 2HA GLY 46 10.806 -10.755 -1.664
Start of MODEL 13
1 H1 GLY 1 H GLY 1 9.250 -33.715 -7.546
2 HA2 GLY 1 1HA GLY 1 7.689 -32.745 -9.433
3 HA3 GLY 1 2HA GLY 1 6.863 -34.269 -9.144
4 H SER 2 H SER 2 6.590 -31.147 -8.522
5 HA SER 2 HA SER 2 4.761 -31.472 -6.399
6 HB2 SER 2 1HB SER 2 5.989 -30.168 -4.659
7 HB3 SER 2 2HB SER 2 6.714 -31.741 -4.990
8 HG SER 2 HG SER 2 8.413 -30.795 -5.863
9 H SER 3 H SER 3 3.383 -29.789 -6.364
10 HA SER 3 HA SER 3 4.175 -27.127 -7.089
11 HB2 SER 3 1HB SER 3 2.736 -28.879 -9.036
12 HB3 SER 3 2HB SER 3 2.301 -27.172 -8.959
13 HG SER 3 HG SER 3 4.268 -28.168 -10.293
14 H GLY 4 H GLY 4 2.460 -25.572 -6.811
15 HA2 GLY 4 1HA GLY 4 0.137 -26.641 -5.334
16 HA3 GLY 4 2HA GLY 4 1.057 -25.272 -4.727
17 H SER 5 H SER 5 -0.402 -23.657 -4.823
18 HA SER 5 HA SER 5 -0.973 -22.443 -7.304
19 HB2 SER 5 1HB SER 5 -2.619 -24.469 -7.160
20 HB3 SER 5 2HB SER 5 -3.494 -23.448 -6.020
21 HG SER 5 HG SER 5 -2.830 -22.819 -8.707
22 H SER 6 H SER 6 -2.436 -20.537 -7.048
23 HA SER 6 HA SER 6 -2.489 -19.575 -4.265
24 HB2 SER 6 1HB SER 6 -0.641 -18.648 -5.923
25 HB3 SER 6 2HB SER 6 -1.975 -17.639 -6.484
26 HG SER 6 HG SER 6 -0.472 -17.334 -4.308
27 H GLY 7 H GLY 7 -4.729 -20.207 -4.289
28 HA2 GLY 7 1HA GLY 7 -6.981 -19.957 -4.797
29 HA3 GLY 7 2HA GLY 7 -6.584 -18.277 -4.469
30 H GLU 8 H GLU 8 -8.114 -17.507 -5.939
31 HA GLU 8 HA GLU 8 -7.166 -17.245 -8.619
32 HB2 GLU 8 1HB GLU 8 -9.048 -18.271 -9.770
33 HB3 GLU 8 2HB GLU 8 -8.217 -19.465 -8.782
34 HG2 GLU 8 1HG GLU 8 -9.933 -19.356 -7.108
35 HG3 GLU 8 2HG GLU 8 -10.725 -18.027 -7.951
36 H GLY 9 H GLY 9 -7.800 -15.331 -9.408
37 HA2 GLY 9 1HA GLY 9 -10.112 -14.049 -9.554
38 HA3 GLY 9 2HA GLY 9 -9.741 -13.800 -7.854
39 H GLU 10 H GLU 10 -8.888 -12.998 -11.132
40 HA GLU 10 HA GLU 10 -6.670 -11.318 -10.379
41 HB2 GLU 10 1HB GLU 10 -6.445 -10.830 -12.697
42 HB3 GLU 10 2HB GLU 10 -6.858 -12.534 -12.580
43 HG2 GLU 10 1HG GLU 10 -8.846 -10.353 -13.156
44 HG3 GLU 10 2HG GLU 10 -8.034 -11.312 -14.392
45 H LYS 11 H LYS 11 -6.686 -9.189 -9.971
46 HA LYS 11 HA LYS 11 -9.263 -7.782 -10.211
47 HB2 LYS 11 1HB LYS 11 -7.002 -7.415 -8.242
48 HB3 LYS 11 2HB LYS 11 -8.349 -6.294 -8.393
49 HG2 LYS 11 1HG LYS 11 -9.856 -8.297 -7.956
50 HG3 LYS 11 2HG LYS 11 -8.389 -9.144 -7.459
51 HD2 LYS 11 1HD LYS 11 -7.991 -7.137 -5.910
52 HD3 LYS 11 2HD LYS 11 -9.682 -6.733 -6.219
53 HE2 LYS 11 1HE LYS 11 -10.461 -8.654 -5.171
54 HE3 LYS 11 2HE LYS 11 -8.918 -9.490 -5.339
55 HZ1 LYS 11 3HZ LYS 11 -8.541 -8.889 -3.248
56 HZ2 LYS 11 1HZ LYS 11 -9.848 -7.814 -3.223
57 HZ3 LYS 11 2HZ LYS 11 -8.345 -7.304 -3.806
58 HA PRO 12 HA PRO 12 -7.415 -4.992 -13.069
59 HB2 PRO 12 1HB PRO 12 -9.035 -2.846 -12.699
60 HB3 PRO 12 2HB PRO 12 -9.553 -4.304 -13.553
61 HG2 PRO 12 1HG PRO 12 -10.070 -3.484 -10.721
62 HG3 PRO 12 2HG PRO 12 -11.184 -4.203 -11.899
63 HD2 PRO 12 1HD PRO 12 -9.989 -5.653 -9.949
64 HD3 PRO 12 2HD PRO 12 -10.386 -6.336 -11.540
65 H TYR 13 H TYR 13 -7.671 -4.277 -9.694
66 HA TYR 13 HA TYR 13 -5.874 -1.975 -9.954
67 HB2 TYR 13 1HB TYR 13 -7.305 -2.967 -7.483
68 HB3 TYR 13 2HB TYR 13 -6.456 -1.436 -7.668
69 HD1 TYR 13 HD2 TYR 13 -7.363 0.138 -9.551
70 HD2 TYR 13 HD1 TYR 13 -9.598 -3.042 -7.819
71 HE1 TYR 13 HE2 TYR 13 -9.449 1.209 -10.291
72 HE2 TYR 13 HE1 TYR 13 -11.690 -1.980 -8.556
73 HH TYR 13 HH TYR 13 -12.592 -0.035 -9.338
74 H GLN 14 H GLN 14 -4.039 -3.296 -10.488
75 HA GLN 14 HA GLN 14 -2.856 -4.577 -8.115
76 HB2 GLN 14 1HB GLN 14 -3.477 -6.313 -9.700
77 HB3 GLN 14 2HB GLN 14 -2.630 -5.473 -10.993
78 HG2 GLN 14 1HG GLN 14 -1.088 -7.058 -10.446
79 HG3 GLN 14 2HG GLN 14 -0.572 -5.737 -9.398
80 HE21 GLN 14 1HE2 GLN 14 -1.572 -8.953 -9.556
81 HE22 GLN 14 2HE2 GLN 14 -1.719 -9.252 -7.861
82 H CYS 15 H CYS 15 -1.281 -3.289 -7.428
83 HA CYS 15 HA CYS 15 0.067 -1.427 -9.112
84 HB2 CYS 15 1HB CYS 15 -0.247 -0.889 -6.783
85 HB3 CYS 15 2HB CYS 15 0.608 -2.345 -6.283
86 H SER 16 H SER 16 1.553 -1.967 -10.557
87 HA SER 16 HA SER 16 2.956 -4.450 -10.487
88 HB2 SER 16 1HB SER 16 2.920 -2.064 -12.280
89 HB3 SER 16 2HB SER 16 4.296 -3.161 -12.386
90 HG SER 16 HG SER 16 1.646 -3.554 -13.099
91 H GLU 17 H GLU 17 3.873 -1.075 -9.903
92 HA GLU 17 HA GLU 17 6.525 -1.073 -9.652
93 HB2 GLU 17 1HB GLU 17 4.813 0.715 -8.917
94 HB3 GLU 17 2HB GLU 17 4.909 -0.045 -7.335
95 HG2 GLU 17 1HG GLU 17 7.364 0.337 -7.368
96 HG3 GLU 17 2HG GLU 17 7.155 1.239 -8.868
97 H CYS 18 H CYS 18 4.389 -2.295 -7.076
98 HA CYS 18 HA CYS 18 6.703 -3.721 -5.946
99 HB2 CYS 18 1HB CYS 18 5.482 -3.752 -3.825
100 HB3 CYS 18 2HB CYS 18 5.664 -2.103 -4.414
101 H GLY 19 H GLY 19 3.229 -4.045 -6.628
102 HA2 GLY 19 1HA GLY 19 2.510 -6.058 -7.819
103 HA3 GLY 19 2HA GLY 19 3.664 -6.959 -6.847
104 H LYS 20 H LYS 20 1.194 -4.547 -5.981
105 HA LYS 20 HA LYS 20 0.008 -6.565 -4.188
106 HB2 LYS 20 1HB LYS 20 0.707 -3.707 -3.749
107 HB3 LYS 20 2HB LYS 20 -0.767 -4.302 -2.997
108 HG2 LYS 20 1HG LYS 20 0.654 -6.175 -2.040
109 HG3 LYS 20 2HG LYS 20 2.052 -5.229 -2.555
110 HD2 LYS 20 1HD LYS 20 1.143 -3.312 -1.233
111 HD3 LYS 20 2HD LYS 20 -0.101 -4.400 -0.613
112 HE2 LYS 20 1HE LYS 20 2.800 -5.109 -0.386
113 HE3 LYS 20 2HE LYS 20 2.053 -4.012 0.775
114 HZ1 LYS 20 3HZ LYS 20 1.662 -6.874 0.410
115 HZ2 LYS 20 1HZ LYS 20 0.286 -5.973 0.805
116 HZ3 LYS 20 2HZ LYS 20 1.634 -5.949 1.826
117 H SER 21 H SER 21 -2.133 -6.915 -4.334
118 HA SER 21 HA SER 21 -3.608 -5.358 -6.335
119 HB2 SER 21 1HB SER 21 -3.503 -7.790 -6.699
120 HB3 SER 21 2HB SER 21 -4.248 -8.059 -5.123
121 HG SER 21 HG SER 21 -5.938 -6.532 -6.151
122 H PHE 22 H PHE 22 -5.717 -4.603 -5.919
123 HA PHE 22 HA PHE 22 -6.592 -4.608 -3.123
124 HB2 PHE 22 1HB PHE 22 -6.546 -2.069 -4.753
125 HB3 PHE 22 2HB PHE 22 -6.876 -2.244 -3.033
126 HD1 PHE 22 HD2 PHE 22 -4.825 -3.588 -1.806
127 HD2 PHE 22 HD1 PHE 22 -4.541 -1.097 -5.246
128 HE1 PHE 22 HE2 PHE 22 -2.451 -3.179 -1.309
129 HE2 PHE 22 HE1 PHE 22 -2.166 -0.685 -4.755
130 HZ PHE 22 HZ PHE 22 -1.118 -1.725 -2.784
131 H SER 23 H SER 23 -8.836 -3.981 -2.845
132 HA SER 23 HA SER 23 -10.434 -4.732 -5.187
133 HB2 SER 23 1HB SER 23 -12.205 -5.286 -3.617
134 HB3 SER 23 2HB SER 23 -10.708 -6.063 -3.101
135 HG SER 23 HG SER 23 -12.240 -4.301 -1.775
136 H GLY 24 H GLY 24 -9.447 -2.159 -5.262
137 HA2 GLY 24 1HA GLY 24 -11.760 -0.640 -5.707
138 HA3 GLY 24 2HA GLY 24 -11.115 -0.192 -4.135
139 H SER 25 H SER 25 -11.336 1.586 -6.301
140 HA SER 25 HA SER 25 -8.819 1.844 -7.638
141 HB2 SER 25 1HB SER 25 -9.704 3.884 -8.552
142 HB3 SER 25 2HB SER 25 -11.014 2.704 -8.526
143 HG SER 25 HG SER 25 -10.774 5.081 -7.196
144 H TYR 26 H TYR 26 -10.365 3.453 -4.886
145 HA TYR 26 HA TYR 26 -8.385 5.372 -4.404
146 HB2 TYR 26 1HB TYR 26 -10.307 5.804 -3.211
147 HB3 TYR 26 2HB TYR 26 -10.545 4.116 -2.774
148 HD1 TYR 26 HD1 TYR 26 -8.061 6.849 -2.166
149 HD2 TYR 26 HD2 TYR 26 -10.228 3.557 -0.562
150 HE1 TYR 26 HE1 TYR 26 -7.084 7.291 0.047
151 HE2 TYR 26 HE2 TYR 26 -9.258 3.991 1.656
152 HH TYR 26 HH TYR 26 -7.445 5.081 2.690
153 H ARG 27 H ARG 27 -8.767 2.081 -3.142
154 HA ARG 27 HA ARG 27 -6.718 2.007 -1.305
155 HB2 ARG 27 1HB ARG 27 -7.929 -0.057 -3.101
156 HB3 ARG 27 2HB ARG 27 -6.513 -0.474 -2.147
157 HG2 ARG 27 1HG ARG 27 -8.928 0.752 -0.872
158 HG3 ARG 27 2HG ARG 27 -8.831 -0.983 -1.183
159 HD2 ARG 27 1HD ARG 27 -6.776 0.581 0.371
160 HD3 ARG 27 2HD ARG 27 -8.112 -0.302 1.108
161 HE ARG 27 HE ARG 27 -6.671 -2.027 -0.583
162 HH11 ARG 27 1HH1 ARG 27 -6.366 -0.349 2.452
163 HH12 ARG 27 2HH1 ARG 27 -5.279 -1.513 3.135
164 HH21 ARG 27 1HH2 ARG 27 -5.241 -3.566 0.305
165 HH22 ARG 27 2HH2 ARG 27 -4.640 -3.342 1.913
166 H LEU 28 H LEU 28 -6.539 1.774 -4.808
167 HA LEU 28 HA LEU 28 -3.791 1.035 -4.914
168 HB2 LEU 28 1HB LEU 28 -5.495 0.695 -6.728
169 HB3 LEU 28 2HB LEU 28 -5.392 2.425 -7.052
170 HG LEU 28 HG LEU 28 -2.809 1.823 -7.298
171 HD11 LEU 28 1HD1 LEU 28 -2.653 -0.350 -8.527
172 HD12 LEU 28 2HD1 LEU 28 -4.271 -0.730 -7.940
173 HD13 LEU 28 3HD1 LEU 28 -2.949 -0.501 -6.795
174 HD21 LEU 28 3HD2 LEU 28 -3.583 2.839 -9.154
175 HD22 LEU 28 1HD2 LEU 28 -5.087 1.917 -9.163
176 HD23 LEU 28 2HD2 LEU 28 -3.607 1.197 -9.798
177 H THR 29 H THR 29 -5.377 4.097 -5.837
178 HA THR 29 HA THR 29 -3.159 5.662 -6.186
179 HB THR 29 HB THR 29 -4.577 7.610 -5.470
180 HG1 THR 29 HG1 THR 29 -6.008 6.933 -4.010
181 HG21 THR 29 3HG2 THR 29 -4.605 6.737 -7.777
182 HG22 THR 29 1HG2 THR 29 -6.168 7.396 -7.298
183 HG23 THR 29 2HG2 THR 29 -5.921 5.650 -7.335
184 H GLN 30 H GLN 30 -4.991 5.378 -3.135
185 HA GLN 30 HA GLN 30 -3.309 6.913 -1.548
186 HB2 GLN 30 1HB GLN 30 -4.329 5.844 0.354
187 HB3 GLN 30 2HB GLN 30 -5.557 6.080 -0.883
188 HG2 GLN 30 1HG GLN 30 -5.997 3.945 -0.156
189 HG3 GLN 30 2HG GLN 30 -4.987 3.655 -1.572
190 HE21 GLN 30 1HE2 GLN 30 -5.064 1.595 -0.049
191 HE22 GLN 30 2HE2 GLN 30 -3.670 1.428 0.958
192 H HIS 31 H HIS 31 -3.152 3.462 -2.309
193 HA HIS 31 HA HIS 31 -0.986 2.864 -0.589
194 HB2 HIS 31 1HB HIS 31 -2.151 0.971 -1.257
195 HB3 HIS 31 2HB HIS 31 -2.263 1.505 -2.932
196 HD1 HIS 31 HD1 HIS 31 0.033 -0.220 -0.532
197 HD2 HIS 31 HD2 HIS 31 -0.104 0.803 -4.556
198 HE1 HIS 31 HE1 HIS 31 1.920 -1.485 -1.612
199 H TRP 32 H TRP 32 -1.190 4.026 -3.892
200 HA TRP 32 HA TRP 32 1.483 3.585 -4.646
201 HB2 TRP 32 1HB TRP 32 -0.708 5.385 -5.593
202 HB3 TRP 32 2HB TRP 32 0.930 5.666 -6.179
203 HD1 TRP 32 HD1 TRP 32 -0.901 2.281 -5.666
204 HE1 TRP 32 HE1 TRP 32 -0.844 1.007 -7.902
205 HE3 TRP 32 HE3 TRP 32 1.384 5.822 -8.560
206 HZ2 TRP 32 HZ2 TRP 32 0.053 1.445 -10.542
207 HZ3 TRP 32 HZ3 TRP 32 1.806 5.315 -10.931
208 HH2 TRP 32 HH2 TRP 32 1.154 3.171 -11.899
209 H ILE 33 H ILE 33 -0.085 6.280 -2.993
210 HA ILE 33 HA ILE 33 1.754 8.259 -3.041
211 HB ILE 33 HB ILE 33 0.323 7.305 -0.557
212 HG12 ILE 33 1HG1 ILE 33 -0.477 9.458 -2.523
213 HG13 ILE 33 2HG1 ILE 33 -1.115 7.818 -2.552
214 HG21 ILE 33 1HG2 ILE 33 2.222 8.851 -0.134
215 HG22 ILE 33 2HG2 ILE 33 1.429 10.041 -1.165
216 HG23 ILE 33 3HG2 ILE 33 0.654 9.513 0.328
217 HD11 ILE 33 3HD1 ILE 33 -1.385 9.744 -0.257
218 HD12 ILE 33 1HD1 ILE 33 -2.629 9.399 -1.458
219 HD13 ILE 33 2HD1 ILE 33 -2.086 8.129 -0.361
220 H THR 34 H THR 34 1.887 5.421 -0.906
221 HA THR 34 HA THR 34 4.127 6.016 0.575
222 HB THR 34 HB THR 34 4.478 3.623 0.862
223 HG1 THR 34 HG1 THR 34 2.794 2.336 -0.468
224 HG21 THR 34 3HG2 THR 34 2.473 3.144 1.922
225 HG22 THR 34 1HG2 THR 34 1.504 3.900 0.657
226 HG23 THR 34 2HG2 THR 34 2.407 4.901 1.795
227 H HIS 35 H HIS 35 3.950 4.756 -2.713
228 HA HIS 35 HA HIS 35 6.697 4.185 -3.022
229 HB2 HIS 35 1HB HIS 35 4.531 4.815 -5.031
230 HB3 HIS 35 2HB HIS 35 6.168 4.359 -5.494
231 HD1 HIS 35 HD1 HIS 35 6.638 2.064 -3.492
232 HD2 HIS 35 HD2 HIS 35 3.160 2.562 -5.709
233 HE1 HIS 35 HE1 HIS 35 5.587 -0.217 -3.615
234 H THR 36 H THR 36 4.814 7.113 -3.390
235 HA THR 36 HA THR 36 6.950 8.589 -4.639
236 HB THR 36 HB THR 36 4.455 9.719 -3.365
237 HG1 THR 36 HG1 THR 36 4.816 8.947 -6.084
238 HG21 THR 36 3HG2 THR 36 5.136 11.695 -4.147
239 HG22 THR 36 1HG2 THR 36 5.426 11.023 -5.750
240 HG23 THR 36 2HG2 THR 36 6.687 10.945 -4.521
241 H ARG 37 H ARG 37 7.885 7.442 -2.306
242 HA ARG 37 HA ARG 37 8.422 9.834 -0.689
243 HB2 ARG 37 1HB ARG 37 7.926 7.079 0.454
244 HB3 ARG 37 2HB ARG 37 8.320 8.530 1.366
245 HG2 ARG 37 1HG ARG 37 5.908 8.551 -0.375
246 HG3 ARG 37 2HG ARG 37 5.849 7.680 1.159
247 HD2 ARG 37 1HD ARG 37 6.729 10.548 0.895
248 HD3 ARG 37 2HD ARG 37 5.072 10.064 1.254
249 HE ARG 37 HE ARG 37 7.083 8.988 3.033
250 HH11 ARG 37 1HH1 ARG 37 4.816 11.557 2.414
251 HH12 ARG 37 2HH1 ARG 37 4.709 12.039 4.074
252 HH21 ARG 37 1HH2 ARG 37 6.950 9.613 5.222
253 HH22 ARG 37 2HH2 ARG 37 5.924 10.933 5.671
254 H GLU 38 H GLU 38 10.526 10.236 -0.630
255 HA GLU 38 HA GLU 38 12.398 8.032 -1.154
256 HB2 GLU 38 1HB GLU 38 12.795 11.018 -1.409
257 HB3 GLU 38 2HB GLU 38 14.012 9.800 -1.763
258 HG2 GLU 38 1HG GLU 38 12.705 8.942 -3.583
259 HG3 GLU 38 2HG GLU 38 11.366 10.014 -3.177
260 H LYS 39 H LYS 39 14.458 8.055 0.002
261 HA LYS 39 HA LYS 39 14.506 9.488 2.536
262 HB2 LYS 39 1HB LYS 39 14.822 7.477 3.868
263 HB3 LYS 39 2HB LYS 39 13.278 7.409 3.028
264 HG2 LYS 39 1HG LYS 39 14.148 5.866 1.419
265 HG3 LYS 39 2HG LYS 39 15.781 6.045 2.063
266 HD2 LYS 39 1HD LYS 39 14.962 5.126 4.226
267 HD3 LYS 39 2HD LYS 39 13.400 4.829 3.461
268 HE2 LYS 39 1HE LYS 39 14.223 3.138 2.131
269 HE3 LYS 39 2HE LYS 39 15.874 3.756 2.186
270 HZ1 LYS 39 3HZ LYS 39 15.924 3.082 4.561
271 HZ2 LYS 39 1HZ LYS 39 15.775 1.784 3.485
272 HZ3 LYS 39 2HZ LYS 39 14.425 2.329 4.345
273 HA PRO 40 HA PRO 40 18.821 9.627 1.711
274 HB2 PRO 40 1HB PRO 40 19.779 9.954 4.230
275 HB3 PRO 40 2HB PRO 40 18.943 11.236 3.346
276 HG2 PRO 40 1HG PRO 40 17.884 9.377 5.439
277 HG3 PRO 40 2HG PRO 40 17.610 11.118 5.248
278 HD2 PRO 40 1HD PRO 40 15.801 9.263 4.459
279 HD3 PRO 40 2HD PRO 40 16.007 10.814 3.619
280 H SER 41 H SER 41 20.489 8.230 1.500
281 HA SER 41 HA SER 41 20.170 5.531 2.296
282 HB2 SER 41 1HB SER 41 21.374 6.110 0.255
283 HB3 SER 41 2HB SER 41 22.597 6.969 1.192
284 HG SER 41 HG SER 41 23.510 5.131 1.681
285 H GLY 42 H GLY 42 20.216 5.049 4.415
286 HA2 GLY 42 1HA GLY 42 22.051 6.357 6.225
287 HA3 GLY 42 2HA GLY 42 20.887 5.106 6.638
288 HA PRO 43 HA PRO 43 25.137 3.265 6.849
289 HB2 PRO 43 1HB PRO 43 24.741 2.036 9.237
290 HB3 PRO 43 2HB PRO 43 25.299 3.708 9.097
291 HG2 PRO 43 1HG PRO 43 22.543 2.668 9.634
292 HG3 PRO 43 2HG PRO 43 23.397 4.022 10.398
293 HD2 PRO 43 1HD PRO 43 21.538 4.379 8.461
294 HD3 PRO 43 2HD PRO 43 22.930 5.462 8.659
295 H SER 44 H SER 44 22.065 1.785 7.889
296 HA SER 44 HA SER 44 22.520 -0.427 6.055
297 HB2 SER 44 1HB SER 44 23.587 -1.194 8.131
298 HB3 SER 44 2HB SER 44 22.098 -0.873 9.021
299 HG SER 44 HG SER 44 21.191 -2.384 7.285
300 H SER 45 H SER 45 20.624 -1.659 5.616
301 HA SER 45 HA SER 45 18.234 -0.099 5.686
302 HB2 SER 45 1HB SER 45 19.038 -1.802 3.886
303 HB3 SER 45 2HB SER 45 18.291 -3.008 4.933
304 HG SER 45 HG SER 45 16.835 -2.220 3.351
305 H GLY 46 H GLY 46 18.887 -3.395 6.904
306 HA2 GLY 46 1HA GLY 46 18.277 -4.323 8.948
307 HA3 GLY 46 2HA GLY 46 17.498 -2.807 9.374
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -0.972 -19.819 -15.852
2 HA2 GLY 1 1HA GLY 1 -2.411 -18.866 -13.600
3 HA3 GLY 1 2HA GLY 1 -2.807 -17.905 -15.018
4 H SER 2 H SER 2 -4.151 -20.104 -13.260
5 HA SER 2 HA SER 2 -5.040 -21.817 -15.482
6 HB2 SER 2 1HB SER 2 -5.640 -23.478 -13.878
7 HB3 SER 2 2HB SER 2 -4.041 -22.898 -13.413
8 HG SER 2 HG SER 2 -5.177 -21.471 -11.929
9 H SER 3 H SER 3 -6.210 -19.960 -12.696
10 HA SER 3 HA SER 3 -8.340 -19.296 -12.125
11 HB2 SER 3 1HB SER 3 -9.343 -17.845 -13.905
12 HB3 SER 3 2HB SER 3 -7.644 -17.500 -13.583
13 HG SER 3 HG SER 3 -8.052 -17.614 -15.818
14 H GLY 4 H GLY 4 -8.374 -22.011 -12.705
15 HA2 GLY 4 1HA GLY 4 -10.107 -22.956 -14.621
16 HA3 GLY 4 2HA GLY 4 -9.932 -23.672 -13.026
17 H SER 5 H SER 5 -11.222 -22.643 -11.267
18 HA SER 5 HA SER 5 -13.738 -21.505 -12.285
19 HB2 SER 5 1HB SER 5 -13.880 -23.989 -11.731
20 HB3 SER 5 2HB SER 5 -13.630 -23.529 -10.047
21 HG SER 5 HG SER 5 -15.624 -22.214 -11.500
22 H SER 6 H SER 6 -13.350 -19.442 -11.593
23 HA SER 6 HA SER 6 -13.041 -17.680 -10.175
24 HB2 SER 6 1HB SER 6 -15.280 -18.640 -9.464
25 HB3 SER 6 2HB SER 6 -14.428 -19.429 -8.137
26 HG SER 6 HG SER 6 -15.284 -16.901 -8.307
27 H GLY 7 H GLY 7 -10.813 -19.368 -10.314
28 HA2 GLY 7 1HA GLY 7 -9.825 -20.081 -7.744
29 HA3 GLY 7 2HA GLY 7 -8.871 -19.920 -9.212
30 H GLU 8 H GLU 8 -7.760 -18.036 -9.614
31 HA GLU 8 HA GLU 8 -7.469 -16.269 -7.311
32 HB2 GLU 8 1HB GLU 8 -5.451 -15.454 -8.456
33 HB3 GLU 8 2HB GLU 8 -5.432 -17.202 -8.264
34 HG2 GLU 8 1HG GLU 8 -6.083 -17.491 -10.580
35 HG3 GLU 8 2HG GLU 8 -6.185 -15.743 -10.786
36 H GLY 9 H GLY 9 -8.098 -16.066 -10.803
37 HA2 GLY 9 1HA GLY 9 -9.154 -14.459 -12.057
38 HA3 GLY 9 2HA GLY 9 -9.947 -13.964 -10.569
39 H GLU 10 H GLU 10 -8.411 -12.663 -12.989
40 HA GLU 10 HA GLU 10 -6.315 -11.175 -11.748
41 HB2 GLU 10 1HB GLU 10 -6.559 -11.683 -14.228
42 HB3 GLU 10 2HB GLU 10 -7.785 -10.425 -14.272
43 HG2 GLU 10 1HG GLU 10 -5.883 -8.997 -13.149
44 HG3 GLU 10 2HG GLU 10 -4.846 -10.200 -13.915
45 H LYS 11 H LYS 11 -6.288 -8.998 -11.150
46 HA LYS 11 HA LYS 11 -8.927 -7.919 -10.439
47 HB2 LYS 11 1HB LYS 11 -6.186 -7.563 -9.251
48 HB3 LYS 11 2HB LYS 11 -7.488 -6.436 -8.894
49 HG2 LYS 11 1HG LYS 11 -7.631 -7.906 -7.134
50 HG3 LYS 11 2HG LYS 11 -8.816 -8.576 -8.259
51 HD2 LYS 11 1HD LYS 11 -7.650 -10.470 -7.677
52 HD3 LYS 11 2HD LYS 11 -6.759 -9.961 -9.114
53 HE2 LYS 11 1HE LYS 11 -5.894 -8.926 -6.460
54 HE3 LYS 11 2HE LYS 11 -5.520 -10.599 -6.870
55 HZ1 LYS 11 3HZ LYS 11 -4.829 -9.166 -9.097
56 HZ2 LYS 11 1HZ LYS 11 -3.767 -9.793 -7.939
57 HZ3 LYS 11 2HZ LYS 11 -4.309 -8.196 -7.812
58 HA PRO 12 HA PRO 12 -8.484 -4.604 -13.296
59 HB2 PRO 12 1HB PRO 12 -10.039 -2.743 -12.077
60 HB3 PRO 12 2HB PRO 12 -10.703 -4.158 -12.902
61 HG2 PRO 12 1HG PRO 12 -10.230 -3.717 -9.979
62 HG3 PRO 12 2HG PRO 12 -11.628 -4.449 -10.788
63 HD2 PRO 12 1HD PRO 12 -9.689 -5.927 -9.609
64 HD3 PRO 12 2HD PRO 12 -10.574 -6.483 -11.044
65 H TYR 13 H TYR 13 -7.578 -4.278 -9.969
66 HA TYR 13 HA TYR 13 -5.758 -2.094 -10.708
67 HB2 TYR 13 1HB TYR 13 -7.098 -2.170 -8.015
68 HB3 TYR 13 2HB TYR 13 -6.248 -0.833 -8.780
69 HD1 TYR 13 HD2 TYR 13 -7.332 0.035 -11.019
70 HD2 TYR 13 HD1 TYR 13 -9.411 -2.179 -8.040
71 HE1 TYR 13 HE2 TYR 13 -9.467 0.915 -11.865
72 HE2 TYR 13 HE1 TYR 13 -11.553 -1.306 -8.878
73 HH TYR 13 HH TYR 13 -11.876 1.294 -10.741
74 H GLN 14 H GLN 14 -3.852 -3.127 -10.652
75 HA GLN 14 HA GLN 14 -3.095 -4.424 -8.130
76 HB2 GLN 14 1HB GLN 14 -3.500 -6.295 -9.503
77 HB3 GLN 14 2HB GLN 14 -2.787 -5.523 -10.913
78 HG2 GLN 14 1HG GLN 14 -0.603 -5.830 -10.112
79 HG3 GLN 14 2HG GLN 14 -1.168 -6.213 -8.486
80 HE21 GLN 14 1HE2 GLN 14 -0.114 -8.171 -8.401
81 HE22 GLN 14 2HE2 GLN 14 -0.603 -9.539 -9.335
82 H CYS 15 H CYS 15 -1.686 -2.959 -7.365
83 HA CYS 15 HA CYS 15 -0.071 -1.234 -8.805
84 HB2 CYS 15 1HB CYS 15 -0.475 -1.009 -6.395
85 HB3 CYS 15 2HB CYS 15 0.484 -2.454 -6.093
86 H SER 16 H SER 16 1.834 -1.377 -9.836
87 HA SER 16 HA SER 16 3.033 -4.030 -10.079
88 HB2 SER 16 1HB SER 16 4.215 -3.091 -12.026
89 HB3 SER 16 2HB SER 16 2.474 -2.841 -12.155
90 HG SER 16 HG SER 16 4.248 -0.892 -11.115
91 H GLU 17 H GLU 17 3.748 -0.803 -8.940
92 HA GLU 17 HA GLU 17 6.467 -0.755 -8.749
93 HB2 GLU 17 1HB GLU 17 4.286 0.312 -7.021
94 HB3 GLU 17 2HB GLU 17 5.930 0.374 -6.400
95 HG2 GLU 17 1HG GLU 17 5.834 2.396 -7.421
96 HG3 GLU 17 2HG GLU 17 6.420 1.420 -8.767
97 H CYS 18 H CYS 18 4.223 -2.524 -6.686
98 HA CYS 18 HA CYS 18 6.530 -3.930 -5.510
99 HB2 CYS 18 1HB CYS 18 5.193 -4.183 -3.429
100 HB3 CYS 18 2HB CYS 18 5.577 -2.505 -3.800
101 H GLY 19 H GLY 19 3.042 -4.143 -6.188
102 HA2 GLY 19 1HA GLY 19 2.331 -6.032 -7.601
103 HA3 GLY 19 2HA GLY 19 3.434 -7.032 -6.669
104 H LYS 20 H LYS 20 1.429 -4.599 -5.173
105 HA LYS 20 HA LYS 20 0.020 -6.727 -3.732
106 HB2 LYS 20 1HB LYS 20 1.166 -5.060 -2.360
107 HB3 LYS 20 2HB LYS 20 0.263 -3.770 -3.144
108 HG2 LYS 20 1HG LYS 20 -1.819 -4.681 -2.226
109 HG3 LYS 20 2HG LYS 20 -0.896 -5.951 -1.419
110 HD2 LYS 20 1HD LYS 20 -0.324 -3.035 -0.967
111 HD3 LYS 20 2HD LYS 20 -1.545 -3.903 -0.033
112 HE2 LYS 20 1HE LYS 20 0.174 -5.525 0.659
113 HE3 LYS 20 2HE LYS 20 1.383 -4.604 -0.235
114 HZ1 LYS 20 3HZ LYS 20 0.403 -2.685 1.280
115 HZ2 LYS 20 1HZ LYS 20 1.668 -3.684 1.795
116 HZ3 LYS 20 2HZ LYS 20 0.085 -3.994 2.303
117 H SER 21 H SER 21 -2.163 -6.967 -3.776
118 HA SER 21 HA SER 21 -3.585 -5.475 -5.847
119 HB2 SER 21 1HB SER 21 -5.341 -7.238 -5.530
120 HB3 SER 21 2HB SER 21 -3.770 -7.876 -6.015
121 HG SER 21 HG SER 21 -3.583 -8.852 -4.148
122 H PHE 22 H PHE 22 -5.852 -4.838 -5.424
123 HA PHE 22 HA PHE 22 -6.466 -4.246 -2.633
124 HB2 PHE 22 1HB PHE 22 -6.407 -2.101 -4.765
125 HB3 PHE 22 2HB PHE 22 -6.890 -1.885 -3.086
126 HD1 PHE 22 HD1 PHE 22 -4.009 -2.858 -5.216
127 HD2 PHE 22 HD2 PHE 22 -5.320 -1.305 -1.476
128 HE1 PHE 22 HE1 PHE 22 -1.680 -2.337 -4.619
129 HE2 PHE 22 HE2 PHE 22 -2.993 -0.781 -0.874
130 HZ PHE 22 HZ PHE 22 -1.169 -1.296 -2.447
131 H SER 23 H SER 23 -8.651 -3.974 -2.203
132 HA SER 23 HA SER 23 -10.453 -5.333 -3.853
133 HB2 SER 23 1HB SER 23 -10.750 -3.556 -1.459
134 HB3 SER 23 2HB SER 23 -12.189 -4.064 -2.343
135 HG SER 23 HG SER 23 -10.567 -5.494 -0.670
136 H GLY 24 H GLY 24 -9.897 -1.860 -3.414
137 HA2 GLY 24 1HA GLY 24 -11.447 -1.410 -5.887
138 HA3 GLY 24 2HA GLY 24 -11.609 -0.348 -4.496
139 H SER 25 H SER 25 -11.035 1.026 -6.577
140 HA SER 25 HA SER 25 -8.216 1.149 -7.166
141 HB2 SER 25 1HB SER 25 -8.810 3.026 -8.618
142 HB3 SER 25 2HB SER 25 -9.912 1.676 -8.886
143 HG SER 25 HG SER 25 -11.514 2.773 -7.968
144 H TYR 26 H TYR 26 -10.563 3.196 -5.460
145 HA TYR 26 HA TYR 26 -9.086 5.366 -4.786
146 HB2 TYR 26 1HB TYR 26 -11.464 4.856 -4.095
147 HB3 TYR 26 2HB TYR 26 -10.799 3.905 -2.772
148 HD1 TYR 26 HD1 TYR 26 -10.992 7.323 -4.184
149 HD2 TYR 26 HD2 TYR 26 -10.028 4.943 -0.791
150 HE1 TYR 26 HE1 TYR 26 -10.834 9.357 -2.810
151 HE2 TYR 26 HE2 TYR 26 -9.868 6.971 0.593
152 HH TYR 26 HH TYR 26 -9.971 9.185 0.633
153 H ARG 27 H ARG 27 -8.904 2.174 -3.285
154 HA ARG 27 HA ARG 27 -7.064 2.922 -1.251
155 HB2 ARG 27 1HB ARG 27 -7.649 0.201 -2.432
156 HB3 ARG 27 2HB ARG 27 -6.745 0.494 -0.953
157 HG2 ARG 27 1HG ARG 27 -9.607 1.324 -1.365
158 HG3 ARG 27 2HG ARG 27 -9.110 -0.189 -0.603
159 HD2 ARG 27 1HD ARG 27 -7.708 1.339 0.947
160 HD3 ARG 27 2HD ARG 27 -8.768 2.623 0.368
161 HE ARG 27 HE ARG 27 -10.424 1.785 1.696
162 HH11 ARG 27 1HH1 ARG 27 -8.008 -0.678 1.232
163 HH12 ARG 27 2HH1 ARG 27 -8.734 -1.785 2.349
164 HH21 ARG 27 1HH2 ARG 27 -11.389 0.337 3.170
165 HH22 ARG 27 2HH2 ARG 27 -10.658 -1.207 3.451
166 H LEU 28 H LEU 28 -6.706 1.472 -4.461
167 HA LEU 28 HA LEU 28 -4.028 0.844 -4.452
168 HB2 LEU 28 1HB LEU 28 -5.668 0.427 -6.290
169 HB3 LEU 28 2HB LEU 28 -5.489 2.116 -6.760
170 HG LEU 28 HG LEU 28 -2.927 1.402 -6.880
171 HD11 LEU 28 1HD1 LEU 28 -3.776 -1.057 -8.107
172 HD12 LEU 28 2HD1 LEU 28 -4.170 -1.049 -6.389
173 HD13 LEU 28 3HD1 LEU 28 -2.509 -0.776 -6.913
174 HD21 LEU 28 3HD2 LEU 28 -3.584 2.253 -8.853
175 HD22 LEU 28 1HD2 LEU 28 -5.151 1.445 -8.798
176 HD23 LEU 28 2HD2 LEU 28 -3.721 0.561 -9.334
177 H THR 29 H THR 29 -5.232 3.834 -5.970
178 HA THR 29 HA THR 29 -2.903 5.193 -6.258
179 HB THR 29 HB THR 29 -5.026 6.103 -7.036
180 HG1 THR 29 HG1 THR 29 -3.074 7.475 -6.226
181 HG21 THR 29 3HG2 THR 29 -5.627 6.981 -4.224
182 HG22 THR 29 1HG2 THR 29 -6.241 5.462 -4.874
183 HG23 THR 29 2HG2 THR 29 -6.689 6.990 -5.632
184 H GLN 30 H GLN 30 -4.954 5.325 -3.344
185 HA GLN 30 HA GLN 30 -3.480 7.020 -1.781
186 HB2 GLN 30 1HB GLN 30 -5.154 4.624 -1.127
187 HB3 GLN 30 2HB GLN 30 -4.283 5.454 0.156
188 HG2 GLN 30 1HG GLN 30 -5.437 7.571 -0.934
189 HG3 GLN 30 2HG GLN 30 -6.598 6.352 -1.460
190 HE21 GLN 30 1HE2 GLN 30 -7.852 5.294 0.055
191 HE22 GLN 30 2HE2 GLN 30 -7.990 5.835 1.690
192 H HIS 31 H HIS 31 -2.887 3.600 -2.396
193 HA HIS 31 HA HIS 31 -0.682 3.447 -0.560
194 HB2 HIS 31 1HB HIS 31 -1.637 1.365 -0.801
195 HB3 HIS 31 2HB HIS 31 -1.974 1.600 -2.513
196 HD1 HIS 31 HD1 HIS 31 0.881 0.758 -0.187
197 HD2 HIS 31 HD2 HIS 31 -0.090 0.571 -4.222
198 HE1 HIS 31 HE1 HIS 31 2.729 -0.566 -1.262
199 H TRP 32 H TRP 32 -0.995 3.441 -4.106
200 HA TRP 32 HA TRP 32 1.551 3.202 -4.950
201 HB2 TRP 32 1HB TRP 32 -0.709 4.902 -5.902
202 HB3 TRP 32 2HB TRP 32 0.876 5.145 -6.630
203 HD1 TRP 32 HD1 TRP 32 -1.048 1.885 -5.727
204 HE1 TRP 32 HE1 TRP 32 -1.054 0.376 -7.812
205 HE3 TRP 32 HE3 TRP 32 1.427 4.969 -8.968
206 HZ2 TRP 32 HZ2 TRP 32 -0.130 0.479 -10.477
207 HZ3 TRP 32 HZ3 TRP 32 1.826 4.188 -11.266
208 HH2 TRP 32 HH2 TRP 32 1.063 1.989 -12.004
209 H ILE 33 H ILE 33 0.173 6.040 -3.392
210 HA ILE 33 HA ILE 33 2.099 7.942 -3.840
211 HB ILE 33 HB ILE 33 0.561 7.405 -1.301
212 HG12 ILE 33 1HG1 ILE 33 0.111 9.590 -3.326
213 HG13 ILE 33 2HG1 ILE 33 -0.624 8.001 -3.503
214 HG21 ILE 33 1HG2 ILE 33 2.639 8.712 -0.901
215 HG22 ILE 33 2HG2 ILE 33 2.046 9.920 -2.040
216 HG23 ILE 33 3HG2 ILE 33 1.159 9.603 -0.549
217 HD11 ILE 33 3HD1 ILE 33 -0.977 9.732 -1.073
218 HD12 ILE 33 1HD1 ILE 33 -2.075 9.738 -2.453
219 HD13 ILE 33 2HD1 ILE 33 -1.866 8.269 -1.498
220 H THR 34 H THR 34 2.119 5.421 -1.339
221 HA THR 34 HA THR 34 4.368 6.069 0.072
222 HB THR 34 HB THR 34 4.675 3.689 0.552
223 HG1 THR 34 HG1 THR 34 3.015 2.300 -0.613
224 HG21 THR 34 3HG2 THR 34 1.730 3.816 0.427
225 HG22 THR 34 1HG2 THR 34 2.522 5.177 1.218
226 HG23 THR 34 2HG2 THR 34 2.796 3.536 1.804
227 H HIS 35 H HIS 35 4.179 4.771 -3.163
228 HA HIS 35 HA HIS 35 6.955 4.087 -3.351
229 HB2 HIS 35 1HB HIS 35 4.807 4.430 -5.449
230 HB3 HIS 35 2HB HIS 35 6.448 3.901 -5.809
231 HD1 HIS 35 HD1 HIS 35 6.884 1.883 -3.551
232 HD2 HIS 35 HD2 HIS 35 3.389 2.137 -5.784
233 HE1 HIS 35 HE1 HIS 35 5.801 -0.379 -3.365
234 H THR 36 H THR 36 4.969 6.854 -4.253
235 HA THR 36 HA THR 36 7.443 8.361 -4.784
236 HB THR 36 HB THR 36 6.270 9.659 -6.509
237 HG1 THR 36 HG1 THR 36 4.151 9.543 -6.319
238 HG21 THR 36 3HG2 THR 36 5.886 7.629 -8.123
239 HG22 THR 36 1HG2 THR 36 6.557 6.697 -6.785
240 HG23 THR 36 2HG2 THR 36 7.503 7.991 -7.521
241 H ARG 37 H ARG 37 7.641 9.685 -3.089
242 HA ARG 37 HA ARG 37 5.258 11.194 -2.231
243 HB2 ARG 37 1HB ARG 37 7.637 10.448 -0.521
244 HB3 ARG 37 2HB ARG 37 6.181 11.278 0.011
245 HG2 ARG 37 1HG ARG 37 4.881 9.358 -0.132
246 HG3 ARG 37 2HG ARG 37 6.030 8.546 -1.198
247 HD2 ARG 37 1HD ARG 37 6.324 7.500 0.872
248 HD3 ARG 37 2HD ARG 37 7.654 8.653 0.773
249 HE ARG 37 HE ARG 37 6.810 9.670 2.625
250 HH11 ARG 37 1HH1 ARG 37 4.235 7.922 1.063
251 HH12 ARG 37 2HH1 ARG 37 3.069 8.283 2.292
252 HH21 ARG 37 1HH2 ARG 37 5.283 10.152 4.250
253 HH22 ARG 37 2HH2 ARG 37 3.666 9.552 4.104
254 H GLU 38 H GLU 38 7.009 11.976 -4.342
255 HA GLU 38 HA GLU 38 8.935 13.858 -3.433
256 HB2 GLU 38 1HB GLU 38 7.547 13.545 -6.098
257 HB3 GLU 38 2HB GLU 38 8.851 14.687 -5.800
258 HG2 GLU 38 1HG GLU 38 8.997 11.687 -5.655
259 HG3 GLU 38 2HG GLU 38 9.747 12.738 -6.856
260 H LYS 39 H LYS 39 8.660 15.849 -2.682
261 HA LYS 39 HA LYS 39 6.251 17.348 -3.420
262 HB2 LYS 39 1HB LYS 39 7.216 16.793 -0.618
263 HB3 LYS 39 2HB LYS 39 6.150 18.140 -0.996
264 HG2 LYS 39 1HG LYS 39 4.395 16.720 -1.624
265 HG3 LYS 39 2HG LYS 39 5.461 15.318 -1.744
266 HD2 LYS 39 1HD LYS 39 5.875 15.743 0.785
267 HD3 LYS 39 2HD LYS 39 4.378 16.674 0.696
268 HE2 LYS 39 1HE LYS 39 4.463 13.913 -0.437
269 HE3 LYS 39 2HE LYS 39 4.333 14.127 1.308
270 HZ1 LYS 39 3HZ LYS 39 2.513 15.789 -0.156
271 HZ2 LYS 39 1HZ LYS 39 2.213 14.732 1.131
272 HZ3 LYS 39 2HZ LYS 39 2.264 14.142 -0.453
273 HA PRO 40 HA PRO 40 9.116 20.635 -4.020
274 HB2 PRO 40 1HB PRO 40 7.403 22.736 -3.865
275 HB3 PRO 40 2HB PRO 40 7.466 21.648 -5.257
276 HG2 PRO 40 1HG PRO 40 5.560 21.661 -2.948
277 HG3 PRO 40 2HG PRO 40 5.225 21.431 -4.674
278 HD2 PRO 40 1HD PRO 40 5.375 19.364 -2.931
279 HD3 PRO 40 2HD PRO 40 5.863 19.216 -4.631
280 H SER 41 H SER 41 6.776 21.033 -1.368
281 HA SER 41 HA SER 41 8.445 22.899 0.039
282 HB2 SER 41 1HB SER 41 5.988 22.980 0.226
283 HB3 SER 41 2HB SER 41 5.996 21.388 0.986
284 HG SER 41 HG SER 41 6.544 22.283 2.805
285 H GLY 42 H GLY 42 9.888 22.520 1.625
286 HA2 GLY 42 1HA GLY 42 11.299 21.365 3.017
287 HA3 GLY 42 2HA GLY 42 9.934 20.305 3.336
288 HA PRO 43 HA PRO 43 13.344 18.381 0.522
289 HB2 PRO 43 1HB PRO 43 15.063 17.372 2.365
290 HB3 PRO 43 2HB PRO 43 15.261 18.973 1.643
291 HG2 PRO 43 1HG PRO 43 14.097 18.223 4.297
292 HG3 PRO 43 2HG PRO 43 15.204 19.549 3.895
293 HD2 PRO 43 1HD PRO 43 12.543 19.924 4.233
294 HD3 PRO 43 2HD PRO 43 13.507 20.891 3.099
295 H SER 44 H SER 44 13.523 16.137 0.170
296 HA SER 44 HA SER 44 11.875 14.477 1.964
297 HB2 SER 44 1HB SER 44 11.302 13.141 -0.085
298 HB3 SER 44 2HB SER 44 10.678 14.791 -0.105
299 HG SER 44 HG SER 44 13.102 13.993 -1.344
300 H SER 45 H SER 45 13.791 13.896 3.117
301 HA SER 45 HA SER 45 15.482 11.973 1.657
302 HB2 SER 45 1HB SER 45 17.368 12.598 2.985
303 HB3 SER 45 2HB SER 45 16.645 14.099 2.406
304 HG SER 45 HG SER 45 16.474 14.641 4.417
305 H GLY 46 H GLY 46 14.188 12.830 4.859
306 HA2 GLY 46 1HA GLY 46 14.800 10.349 6.078
307 HA3 GLY 46 2HA GLY 46 13.637 11.527 6.669
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -5.376 -30.746 -6.766
2 HA2 GLY 1 1HA GLY 1 -7.777 -31.901 -6.608
3 HA3 GLY 1 2HA GLY 1 -6.850 -31.556 -5.156
4 H SER 2 H SER 2 -9.562 -30.661 -7.109
5 HA SER 2 HA SER 2 -11.139 -28.984 -6.879
6 HB2 SER 2 1HB SER 2 -12.413 -29.273 -4.804
7 HB3 SER 2 2HB SER 2 -11.920 -30.838 -5.452
8 HG SER 2 HG SER 2 -10.903 -31.177 -3.658
9 H SER 3 H SER 3 -8.641 -27.809 -6.703
10 HA SER 3 HA SER 3 -9.056 -25.793 -4.593
11 HB2 SER 3 1HB SER 3 -7.001 -27.286 -4.348
12 HB3 SER 3 2HB SER 3 -6.371 -26.487 -5.788
13 HG SER 3 HG SER 3 -7.204 -25.129 -3.439
14 H GLY 4 H GLY 4 -10.285 -24.460 -5.954
15 HA2 GLY 4 1HA GLY 4 -8.734 -22.681 -7.579
16 HA3 GLY 4 2HA GLY 4 -9.796 -23.697 -8.543
17 H SER 5 H SER 5 -9.738 -21.344 -5.906
18 HA SER 5 HA SER 5 -12.388 -20.938 -5.422
19 HB2 SER 5 1HB SER 5 -10.051 -19.065 -5.503
20 HB3 SER 5 2HB SER 5 -11.668 -18.414 -5.236
21 HG SER 5 HG SER 5 -10.889 -18.884 -3.241
22 H SER 6 H SER 6 -13.792 -19.094 -6.144
23 HA SER 6 HA SER 6 -13.862 -19.069 -9.071
24 HB2 SER 6 1HB SER 6 -16.179 -18.579 -8.906
25 HB3 SER 6 2HB SER 6 -15.865 -19.782 -7.655
26 HG SER 6 HG SER 6 -15.483 -17.646 -6.376
27 H GLY 7 H GLY 7 -13.359 -17.314 -10.209
28 HA2 GLY 7 1HA GLY 7 -12.549 -15.193 -10.624
29 HA3 GLY 7 2HA GLY 7 -14.018 -14.708 -9.789
30 H GLU 8 H GLU 8 -10.614 -15.530 -9.313
31 HA GLU 8 HA GLU 8 -10.223 -13.402 -7.481
32 HB2 GLU 8 1HB GLU 8 -11.332 -14.756 -5.864
33 HB3 GLU 8 2HB GLU 8 -10.444 -16.191 -6.357
34 HG2 GLU 8 1HG GLU 8 -8.451 -15.422 -5.370
35 HG3 GLU 8 2HG GLU 8 -9.089 -13.791 -5.172
36 H GLY 9 H GLY 9 -8.176 -12.786 -7.717
37 HA2 GLY 9 1HA GLY 9 -5.825 -13.819 -7.391
38 HA3 GLY 9 2HA GLY 9 -6.268 -14.729 -8.827
39 H GLU 10 H GLU 10 -7.355 -13.025 -10.516
40 HA GLU 10 HA GLU 10 -5.245 -11.017 -10.929
41 HB2 GLU 10 1HB GLU 10 -6.840 -12.731 -12.769
42 HB3 GLU 10 2HB GLU 10 -6.358 -11.142 -13.345
43 HG2 GLU 10 1HG GLU 10 -3.995 -11.806 -12.619
44 HG3 GLU 10 2HG GLU 10 -4.627 -13.450 -12.549
45 H LYS 11 H LYS 11 -5.906 -9.101 -10.189
46 HA LYS 11 HA LYS 11 -8.636 -8.218 -10.862
47 HB2 LYS 11 1HB LYS 11 -6.883 -7.296 -8.577
48 HB3 LYS 11 2HB LYS 11 -8.513 -6.730 -8.918
49 HG2 LYS 11 1HG LYS 11 -9.420 -8.911 -8.447
50 HG3 LYS 11 2HG LYS 11 -7.798 -9.574 -8.237
51 HD2 LYS 11 1HD LYS 11 -8.334 -9.196 -6.050
52 HD3 LYS 11 2HD LYS 11 -7.632 -7.626 -6.449
53 HE2 LYS 11 1HE LYS 11 -10.566 -8.329 -6.438
54 HE3 LYS 11 2HE LYS 11 -9.722 -7.346 -5.242
55 HZ1 LYS 11 3HZ LYS 11 -9.131 -5.858 -7.198
56 HZ2 LYS 11 1HZ LYS 11 -10.736 -5.822 -6.663
57 HZ3 LYS 11 2HZ LYS 11 -10.329 -6.687 -8.058
58 HA PRO 12 HA PRO 12 -6.905 -5.041 -13.364
59 HB2 PRO 12 1HB PRO 12 -8.920 -3.225 -13.248
60 HB3 PRO 12 2HB PRO 12 -9.030 -4.724 -14.179
61 HG2 PRO 12 1HG PRO 12 -10.120 -4.097 -11.462
62 HG3 PRO 12 2HG PRO 12 -10.890 -4.963 -12.804
63 HD2 PRO 12 1HD PRO 12 -9.774 -6.242 -10.694
64 HD3 PRO 12 2HD PRO 12 -9.790 -6.933 -12.330
65 H TYR 13 H TYR 13 -7.825 -4.477 -10.072
66 HA TYR 13 HA TYR 13 -6.470 -1.881 -10.032
67 HB2 TYR 13 1HB TYR 13 -8.152 -3.283 -7.946
68 HB3 TYR 13 2HB TYR 13 -7.384 -1.716 -7.716
69 HD1 TYR 13 HD2 TYR 13 -7.884 -0.213 -10.066
70 HD2 TYR 13 HD1 TYR 13 -10.431 -3.050 -8.177
71 HE1 TYR 13 HE2 TYR 13 -9.844 0.897 -11.055
72 HE2 TYR 13 HE1 TYR 13 -12.398 -1.948 -9.161
73 HH TYR 13 HH TYR 13 -12.655 0.841 -10.123
74 H GLN 14 H GLN 14 -4.671 -3.791 -10.504
75 HA GLN 14 HA GLN 14 -3.431 -4.397 -7.906
76 HB2 GLN 14 1HB GLN 14 -3.867 -6.356 -9.320
77 HB3 GLN 14 2HB GLN 14 -2.920 -5.638 -10.616
78 HG2 GLN 14 1HG GLN 14 -0.967 -5.640 -9.014
79 HG3 GLN 14 2HG GLN 14 -1.957 -6.647 -7.958
80 HE21 GLN 14 1HE2 GLN 14 -0.012 -8.048 -8.364
81 HE22 GLN 14 2HE2 GLN 14 -0.096 -9.132 -9.706
82 H CYS 15 H CYS 15 -1.480 -3.577 -7.387
83 HA CYS 15 HA CYS 15 -0.432 -1.449 -9.014
84 HB2 CYS 15 1HB CYS 15 -0.397 -1.052 -6.675
85 HB3 CYS 15 2HB CYS 15 0.357 -2.609 -6.346
86 H SER 16 H SER 16 1.804 -1.292 -9.681
87 HA SER 16 HA SER 16 2.907 -3.916 -10.436
88 HB2 SER 16 1HB SER 16 2.225 -2.569 -12.360
89 HB3 SER 16 2HB SER 16 3.226 -1.230 -11.799
90 HG SER 16 HG SER 16 4.961 -2.990 -11.903
91 H GLU 17 H GLU 17 3.741 -0.678 -9.289
92 HA GLU 17 HA GLU 17 6.431 -0.675 -9.158
93 HB2 GLU 17 1HB GLU 17 4.401 0.238 -7.142
94 HB3 GLU 17 2HB GLU 17 6.120 0.427 -6.826
95 HG2 GLU 17 1HG GLU 17 5.481 2.465 -7.734
96 HG3 GLU 17 2HG GLU 17 6.225 1.611 -9.084
97 H CYS 18 H CYS 18 4.328 -2.283 -6.780
98 HA CYS 18 HA CYS 18 6.662 -3.867 -5.926
99 HB2 CYS 18 1HB CYS 18 5.588 -4.081 -3.729
100 HB3 CYS 18 2HB CYS 18 5.860 -2.392 -4.142
101 H GLY 19 H GLY 19 3.137 -3.931 -6.369
102 HA2 GLY 19 1HA GLY 19 2.206 -5.759 -7.698
103 HA3 GLY 19 2HA GLY 19 3.377 -6.821 -6.929
104 H LYS 20 H LYS 20 0.745 -4.592 -6.026
105 HA LYS 20 HA LYS 20 -0.228 -6.654 -4.169
106 HB2 LYS 20 1HB LYS 20 1.040 -4.627 -3.122
107 HB3 LYS 20 2HB LYS 20 -0.440 -3.744 -3.476
108 HG2 LYS 20 1HG LYS 20 -1.672 -4.915 -1.934
109 HG3 LYS 20 2HG LYS 20 -0.610 -6.323 -1.995
110 HD2 LYS 20 1HD LYS 20 1.159 -4.864 -0.918
111 HD3 LYS 20 2HD LYS 20 -0.123 -3.685 -0.630
112 HE2 LYS 20 1HE LYS 20 -0.581 -6.498 0.216
113 HE3 LYS 20 2HE LYS 20 0.528 -5.515 1.171
114 HZ1 LYS 20 3HZ LYS 20 -2.215 -5.549 1.348
115 HZ2 LYS 20 1HZ LYS 20 -1.856 -4.087 0.578
116 HZ3 LYS 20 2HZ LYS 20 -1.168 -4.442 2.082
117 H SER 21 H SER 21 -2.389 -6.984 -4.174
118 HA SER 21 HA SER 21 -3.935 -5.562 -6.186
119 HB2 SER 21 1HB SER 21 -4.586 -7.993 -4.505
120 HB3 SER 21 2HB SER 21 -5.653 -7.313 -5.734
121 HG SER 21 HG SER 21 -4.587 -8.621 -6.998
122 H PHE 22 H PHE 22 -6.090 -4.768 -5.732
123 HA PHE 22 HA PHE 22 -6.722 -4.190 -2.951
124 HB2 PHE 22 1HB PHE 22 -6.165 -2.054 -5.011
125 HB3 PHE 22 2HB PHE 22 -7.060 -1.746 -3.526
126 HD1 PHE 22 HD1 PHE 22 -3.786 -2.558 -4.952
127 HD2 PHE 22 HD2 PHE 22 -5.952 -1.664 -1.398
128 HE1 PHE 22 HE1 PHE 22 -1.667 -2.186 -3.758
129 HE2 PHE 22 HE2 PHE 22 -3.837 -1.290 -0.199
130 HZ PHE 22 HZ PHE 22 -1.690 -1.550 -1.379
131 H SER 23 H SER 23 -8.883 -3.913 -2.573
132 HA SER 23 HA SER 23 -10.655 -4.646 -4.742
133 HB2 SER 23 1HB SER 23 -10.893 -4.440 -1.770
134 HB3 SER 23 2HB SER 23 -12.366 -4.380 -2.737
135 HG SER 23 HG SER 23 -11.779 -6.382 -3.639
136 H GLY 24 H GLY 24 -9.617 -2.227 -5.348
137 HA2 GLY 24 1HA GLY 24 -11.694 -0.634 -6.043
138 HA3 GLY 24 2HA GLY 24 -11.324 -0.093 -4.413
139 H SER 25 H SER 25 -11.142 1.567 -6.659
140 HA SER 25 HA SER 25 -8.376 1.733 -7.466
141 HB2 SER 25 1HB SER 25 -9.088 3.713 -8.732
142 HB3 SER 25 2HB SER 25 -10.176 2.357 -9.027
143 HG SER 25 HG SER 25 -11.595 3.878 -8.563
144 H TYR 26 H TYR 26 -10.578 3.574 -5.390
145 HA TYR 26 HA TYR 26 -8.951 5.700 -4.716
146 HB2 TYR 26 1HB TYR 26 -11.208 5.732 -3.978
147 HB3 TYR 26 2HB TYR 26 -11.024 4.214 -3.106
148 HD1 TYR 26 HD1 TYR 26 -10.021 7.784 -3.108
149 HD2 TYR 26 HD2 TYR 26 -10.327 4.188 -0.853
150 HE1 TYR 26 HE1 TYR 26 -9.500 9.034 -1.054
151 HE2 TYR 26 HE2 TYR 26 -9.809 5.429 1.206
152 HH TYR 26 HH TYR 26 -9.496 7.443 2.113
153 H ARG 27 H ARG 27 -9.159 2.525 -3.126
154 HA ARG 27 HA ARG 27 -7.249 3.010 -1.134
155 HB2 ARG 27 1HB ARG 27 -8.241 0.490 -2.446
156 HB3 ARG 27 2HB ARG 27 -7.003 0.448 -1.198
157 HG2 ARG 27 1HG ARG 27 -8.690 1.815 0.198
158 HG3 ARG 27 2HG ARG 27 -9.875 1.247 -0.980
159 HD2 ARG 27 1HD ARG 27 -8.790 -1.088 -0.467
160 HD3 ARG 27 2HD ARG 27 -8.295 -0.293 1.027
161 HE ARG 27 HE ARG 27 -10.990 0.225 0.736
162 HH11 ARG 27 1HH1 ARG 27 -8.953 -2.579 1.063
163 HH12 ARG 27 2HH1 ARG 27 -10.166 -3.530 1.854
164 HH21 ARG 27 1HH2 ARG 27 -12.596 -1.016 1.777
165 HH22 ARG 27 2HH2 ARG 27 -12.238 -2.640 2.259
166 H LEU 28 H LEU 28 -6.909 1.650 -4.390
167 HA LEU 28 HA LEU 28 -4.258 0.897 -4.338
168 HB2 LEU 28 1HB LEU 28 -5.914 0.597 -6.207
169 HB3 LEU 28 2HB LEU 28 -5.586 2.266 -6.668
170 HG LEU 28 HG LEU 28 -3.101 1.409 -6.774
171 HD11 LEU 28 1HD1 LEU 28 -4.716 -1.058 -6.629
172 HD12 LEU 28 2HD1 LEU 28 -3.039 -0.766 -6.171
173 HD13 LEU 28 3HD1 LEU 28 -3.460 -1.010 -7.866
174 HD21 LEU 28 3HD2 LEU 28 -4.140 0.372 -9.155
175 HD22 LEU 28 1HD2 LEU 28 -3.550 2.009 -8.864
176 HD23 LEU 28 2HD2 LEU 28 -5.262 1.639 -8.657
177 H THR 29 H THR 29 -5.509 4.062 -5.412
178 HA THR 29 HA THR 29 -3.179 5.382 -5.919
179 HB THR 29 HB THR 29 -5.491 6.633 -4.428
180 HG1 THR 29 HG1 THR 29 -5.133 6.237 -7.231
181 HG21 THR 29 3HG2 THR 29 -3.978 8.060 -6.536
182 HG22 THR 29 1HG2 THR 29 -3.142 7.790 -5.007
183 HG23 THR 29 2HG2 THR 29 -4.672 8.666 -5.033
184 H GLN 30 H GLN 30 -4.806 5.345 -2.741
185 HA GLN 30 HA GLN 30 -2.924 6.731 -1.285
186 HB2 GLN 30 1HB GLN 30 -4.585 4.380 -0.362
187 HB3 GLN 30 2HB GLN 30 -3.777 5.530 0.696
188 HG2 GLN 30 1HG GLN 30 -5.842 6.349 -1.324
189 HG3 GLN 30 2HG GLN 30 -6.244 5.882 0.327
190 HE21 GLN 30 1HE2 GLN 30 -7.029 7.889 0.881
191 HE22 GLN 30 2HE2 GLN 30 -6.010 9.270 1.085
192 H HIS 31 H HIS 31 -2.950 3.311 -2.151
193 HA HIS 31 HA HIS 31 -0.666 2.618 -0.598
194 HB2 HIS 31 1HB HIS 31 -1.907 0.743 -1.090
195 HB3 HIS 31 2HB HIS 31 -2.292 1.293 -2.718
196 HD1 HIS 31 HD1 HIS 31 0.828 0.145 -0.852
197 HD2 HIS 31 HD2 HIS 31 -0.954 -0.103 -4.597
198 HE1 HIS 31 HE1 HIS 31 2.343 -1.322 -2.222
199 H TRP 32 H TRP 32 -1.147 3.924 -3.785
200 HA TRP 32 HA TRP 32 1.458 3.319 -4.782
201 HB2 TRP 32 1HB TRP 32 -0.799 5.078 -5.666
202 HB3 TRP 32 2HB TRP 32 0.785 5.266 -6.413
203 HD1 TRP 32 HD1 TRP 32 -1.030 1.969 -5.469
204 HE1 TRP 32 HE1 TRP 32 -1.214 0.532 -7.596
205 HE3 TRP 32 HE3 TRP 32 0.978 5.247 -8.840
206 HZ2 TRP 32 HZ2 TRP 32 -0.590 0.758 -10.340
207 HZ3 TRP 32 HZ3 TRP 32 1.149 4.559 -11.196
208 HH2 TRP 32 HH2 TRP 32 0.381 2.360 -11.928
209 H ILE 33 H ILE 33 0.270 5.607 -2.579
210 HA ILE 33 HA ILE 33 1.901 7.825 -3.038
211 HB ILE 33 HB ILE 33 0.885 6.746 -0.406
212 HG12 ILE 33 1HG1 ILE 33 -0.874 7.297 -2.050
213 HG13 ILE 33 2HG1 ILE 33 -0.900 8.389 -0.669
214 HG21 ILE 33 1HG2 ILE 33 1.991 8.365 0.633
215 HG22 ILE 33 2HG2 ILE 33 2.764 8.792 -0.893
216 HG23 ILE 33 3HG2 ILE 33 1.257 9.575 -0.419
217 HD11 ILE 33 3HD1 ILE 33 0.682 9.781 -2.331
218 HD12 ILE 33 1HD1 ILE 33 -0.323 8.927 -3.501
219 HD13 ILE 33 2HD1 ILE 33 -1.073 9.949 -2.274
220 H THR 34 H THR 34 2.491 4.942 -1.049
221 HA THR 34 HA THR 34 4.967 5.671 0.001
222 HB THR 34 HB THR 34 3.573 3.657 0.651
223 HG1 THR 34 HG1 THR 34 5.483 2.450 1.178
224 HG21 THR 34 3HG2 THR 34 5.107 2.129 -1.409
225 HG22 THR 34 1HG2 THR 34 3.580 2.890 -1.853
226 HG23 THR 34 2HG2 THR 34 3.624 1.691 -0.561
227 H HIS 35 H HIS 35 4.124 4.990 -3.210
228 HA HIS 35 HA HIS 35 6.811 4.167 -3.984
229 HB2 HIS 35 1HB HIS 35 4.316 4.579 -5.646
230 HB3 HIS 35 2HB HIS 35 5.846 3.951 -6.251
231 HD1 HIS 35 HD1 HIS 35 6.438 1.983 -3.900
232 HD2 HIS 35 HD2 HIS 35 2.806 2.308 -5.890
233 HE1 HIS 35 HE1 HIS 35 5.286 -0.226 -3.560
234 H THR 36 H THR 36 5.664 6.978 -3.102
235 HA THR 36 HA THR 36 7.566 8.501 -4.553
236 HB THR 36 HB THR 36 6.095 8.537 -6.397
237 HG1 THR 36 HG1 THR 36 5.499 10.732 -6.463
238 HG21 THR 36 3HG2 THR 36 4.130 7.766 -4.825
239 HG22 THR 36 1HG2 THR 36 3.795 8.603 -6.340
240 HG23 THR 36 2HG2 THR 36 3.751 9.488 -4.814
241 H ARG 37 H ARG 37 8.275 9.554 -2.801
242 HA ARG 37 HA ARG 37 6.323 11.155 -1.291
243 HB2 ARG 37 1HB ARG 37 8.363 9.238 -0.280
244 HB3 ARG 37 2HB ARG 37 8.114 10.718 0.636
245 HG2 ARG 37 1HG ARG 37 5.807 8.977 -0.145
246 HG3 ARG 37 2HG ARG 37 6.775 8.635 1.291
247 HD2 ARG 37 1HD ARG 37 6.339 11.148 1.835
248 HD3 ARG 37 2HD ARG 37 4.994 10.962 0.710
249 HE ARG 37 HE ARG 37 5.058 8.912 2.705
250 HH11 ARG 37 1HH1 ARG 37 4.073 12.185 2.043
251 HH12 ARG 37 2HH1 ARG 37 2.818 12.187 3.238
252 HH21 ARG 37 1HH2 ARG 37 3.408 8.902 4.280
253 HH22 ARG 37 2HH2 ARG 37 2.441 10.320 4.510
254 H GLU 38 H GLU 38 7.838 12.638 0.288
255 HA GLU 38 HA GLU 38 9.433 14.199 -1.600
256 HB2 GLU 38 1HB GLU 38 8.253 14.854 1.100
257 HB3 GLU 38 2HB GLU 38 9.327 15.942 0.232
258 HG2 GLU 38 1HG GLU 38 7.776 16.301 -1.477
259 HG3 GLU 38 2HG GLU 38 6.819 14.891 -1.023
260 H LYS 39 H LYS 39 11.521 13.700 -1.667
261 HA LYS 39 HA LYS 39 12.884 12.936 0.823
262 HB2 LYS 39 1HB LYS 39 13.544 12.443 -2.078
263 HB3 LYS 39 2HB LYS 39 14.702 12.158 -0.786
264 HG2 LYS 39 1HG LYS 39 11.986 10.892 -0.758
265 HG3 LYS 39 2HG LYS 39 13.336 10.175 -1.641
266 HD2 LYS 39 1HD LYS 39 14.638 10.346 0.547
267 HD3 LYS 39 2HD LYS 39 13.080 10.662 1.316
268 HE2 LYS 39 1HE LYS 39 13.501 8.272 -0.449
269 HE3 LYS 39 2HE LYS 39 13.944 8.241 1.257
270 HZ1 LYS 39 3HZ LYS 39 11.648 8.836 1.802
271 HZ2 LYS 39 1HZ LYS 39 11.730 7.376 0.951
272 HZ3 LYS 39 2HZ LYS 39 11.238 8.788 0.161
273 HA PRO 40 HA PRO 40 15.128 16.715 0.927
274 HB2 PRO 40 1HB PRO 40 17.377 15.889 2.204
275 HB3 PRO 40 2HB PRO 40 15.823 16.082 3.024
276 HG2 PRO 40 1HG PRO 40 17.120 13.592 1.986
277 HG3 PRO 40 2HG PRO 40 16.268 13.854 3.519
278 HD2 PRO 40 1HD PRO 40 15.105 12.643 1.394
279 HD3 PRO 40 2HD PRO 40 14.190 13.637 2.545
280 H SER 41 H SER 41 16.357 13.912 -0.665
281 HA SER 41 HA SER 41 18.161 13.586 -2.078
282 HB2 SER 41 1HB SER 41 17.959 15.142 -4.070
283 HB3 SER 41 2HB SER 41 16.476 14.303 -3.614
284 HG SER 41 HG SER 41 17.188 16.993 -3.073
285 H GLY 42 H GLY 42 19.291 14.633 0.091
286 HA2 GLY 42 1HA GLY 42 21.627 15.848 -0.849
287 HA3 GLY 42 2HA GLY 42 20.589 17.119 -0.219
288 HA PRO 43 HA PRO 43 23.134 15.616 3.311
289 HB2 PRO 43 1HB PRO 43 23.518 18.087 4.368
290 HB3 PRO 43 2HB PRO 43 24.543 17.418 3.094
291 HG2 PRO 43 1HG PRO 43 22.261 19.342 2.873
292 HG3 PRO 43 2HG PRO 43 23.835 19.375 2.057
293 HD2 PRO 43 1HD PRO 43 21.583 18.494 0.840
294 HD3 PRO 43 2HD PRO 43 23.189 17.832 0.473
295 H SER 44 H SER 44 22.084 14.853 5.026
296 HA SER 44 HA SER 44 19.695 16.283 5.974
297 HB2 SER 44 1HB SER 44 20.479 13.392 5.940
298 HB3 SER 44 2HB SER 44 19.347 13.963 7.165
299 HG SER 44 HG SER 44 18.142 13.344 5.419
300 H SER 45 H SER 45 19.260 15.980 8.369
301 HA SER 45 HA SER 45 21.296 17.185 9.854
302 HB2 SER 45 1HB SER 45 18.850 15.664 10.783
303 HB3 SER 45 2HB SER 45 19.880 16.625 11.845
304 HG SER 45 HG SER 45 18.118 17.454 9.834
305 H GLY 46 H GLY 46 23.185 16.316 10.389
306 HA2 GLY 46 1HA GLY 46 23.360 13.971 11.982
307 HA3 GLY 46 2HA GLY 46 23.856 13.625 10.332
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -3.451 -31.467 -12.766
2 HA2 GLY 1 1HA GLY 1 -2.970 -29.746 -14.212
3 HA3 GLY 1 2HA GLY 1 -3.766 -28.737 -13.013
4 H SER 2 H SER 2 -0.920 -29.285 -14.653
5 HA SER 2 HA SER 2 0.511 -27.465 -12.863
6 HB2 SER 2 1HB SER 2 2.513 -28.786 -12.846
7 HB3 SER 2 2HB SER 2 1.189 -29.846 -12.359
8 HG SER 2 HG SER 2 1.147 -30.658 -14.485
9 H SER 3 H SER 3 2.632 -26.751 -13.960
10 HA SER 3 HA SER 3 3.534 -25.498 -15.637
11 HB2 SER 3 1HB SER 3 2.549 -27.822 -17.312
12 HB3 SER 3 2HB SER 3 3.753 -26.635 -17.815
13 HG SER 3 HG SER 3 5.163 -27.427 -16.331
14 H GLY 4 H GLY 4 0.983 -24.670 -14.917
15 HA2 GLY 4 1HA GLY 4 0.266 -23.089 -17.157
16 HA3 GLY 4 2HA GLY 4 -0.889 -24.399 -16.958
17 H SER 5 H SER 5 -2.665 -23.370 -16.240
18 HA SER 5 HA SER 5 -2.374 -21.718 -13.815
19 HB2 SER 5 1HB SER 5 -4.487 -20.581 -14.556
20 HB3 SER 5 2HB SER 5 -3.114 -20.317 -15.631
21 HG SER 5 HG SER 5 -4.004 -22.140 -16.871
22 H SER 6 H SER 6 -3.975 -21.910 -12.203
23 HA SER 6 HA SER 6 -5.056 -24.572 -11.973
24 HB2 SER 6 1HB SER 6 -4.029 -23.437 -10.033
25 HB3 SER 6 2HB SER 6 -5.297 -22.213 -10.089
26 HG SER 6 HG SER 6 -5.963 -24.940 -9.897
27 H GLY 7 H GLY 7 -6.341 -21.281 -12.251
28 HA2 GLY 7 1HA GLY 7 -8.700 -22.187 -13.566
29 HA3 GLY 7 2HA GLY 7 -9.038 -21.771 -11.892
30 H GLU 8 H GLU 8 -9.394 -19.693 -11.384
31 HA GLU 8 HA GLU 8 -8.634 -17.640 -13.349
32 HB2 GLU 8 1HB GLU 8 -10.766 -16.523 -13.051
33 HB3 GLU 8 2HB GLU 8 -11.033 -18.177 -13.583
34 HG2 GLU 8 1HG GLU 8 -11.249 -18.652 -11.023
35 HG3 GLU 8 2HG GLU 8 -11.585 -16.924 -10.941
36 H GLY 9 H GLY 9 -8.186 -15.576 -12.516
37 HA2 GLY 9 1HA GLY 9 -8.522 -14.788 -9.846
38 HA3 GLY 9 2HA GLY 9 -6.935 -15.528 -9.996
39 H GLU 10 H GLU 10 -8.949 -13.199 -11.802
40 HA GLU 10 HA GLU 10 -6.521 -11.594 -12.236
41 HB2 GLU 10 1HB GLU 10 -7.485 -10.744 -14.212
42 HB3 GLU 10 2HB GLU 10 -7.845 -12.464 -14.230
43 HG2 GLU 10 1HG GLU 10 -10.093 -11.882 -13.250
44 HG3 GLU 10 2HG GLU 10 -9.704 -10.196 -13.587
45 H LYS 11 H LYS 11 -6.383 -9.570 -11.462
46 HA LYS 11 HA LYS 11 -8.709 -8.532 -9.988
47 HB2 LYS 11 1HB LYS 11 -7.131 -7.271 -8.636
48 HB3 LYS 11 2HB LYS 11 -6.695 -8.975 -8.635
49 HG2 LYS 11 1HG LYS 11 -5.146 -8.227 -10.632
50 HG3 LYS 11 2HG LYS 11 -5.291 -6.654 -9.843
51 HD2 LYS 11 1HD LYS 11 -3.407 -7.567 -8.838
52 HD3 LYS 11 2HD LYS 11 -4.688 -7.945 -7.684
53 HE2 LYS 11 1HE LYS 11 -3.285 -9.884 -8.004
54 HE3 LYS 11 2HE LYS 11 -4.883 -10.191 -8.682
55 HZ1 LYS 11 3HZ LYS 11 -2.556 -10.602 -9.973
56 HZ2 LYS 11 1HZ LYS 11 -3.003 -9.080 -10.562
57 HZ3 LYS 11 2HZ LYS 11 -4.054 -10.394 -10.731
58 HA PRO 12 HA PRO 12 -9.074 -5.192 -12.832
59 HB2 PRO 12 1HB PRO 12 -10.322 -3.392 -11.228
60 HB3 PRO 12 2HB PRO 12 -11.136 -4.814 -11.892
61 HG2 PRO 12 1HG PRO 12 -9.964 -4.401 -9.168
62 HG3 PRO 12 2HG PRO 12 -11.501 -5.161 -9.622
63 HD2 PRO 12 1HD PRO 12 -9.296 -6.600 -8.989
64 HD3 PRO 12 2HD PRO 12 -10.495 -7.160 -10.172
65 H TYR 13 H TYR 13 -7.382 -4.886 -9.825
66 HA TYR 13 HA TYR 13 -5.750 -2.753 -10.978
67 HB2 TYR 13 1HB TYR 13 -6.776 -2.582 -8.143
68 HB3 TYR 13 2HB TYR 13 -5.851 -1.371 -9.023
69 HD1 TYR 13 HD2 TYR 13 -6.934 -0.142 -10.917
70 HD2 TYR 13 HD1 TYR 13 -9.139 -2.687 -8.315
71 HE1 TYR 13 HE2 TYR 13 -9.024 0.925 -11.653
72 HE2 TYR 13 HE1 TYR 13 -11.235 -1.628 -9.046
73 HH TYR 13 HH TYR 13 -11.228 1.005 -11.434
74 H GLN 14 H GLN 14 -3.686 -3.306 -10.843
75 HA GLN 14 HA GLN 14 -2.784 -4.886 -8.534
76 HB2 GLN 14 1HB GLN 14 -3.069 -6.366 -10.498
77 HB3 GLN 14 2HB GLN 14 -1.946 -5.357 -11.400
78 HG2 GLN 14 1HG GLN 14 -0.223 -5.881 -9.660
79 HG3 GLN 14 2HG GLN 14 -1.357 -7.054 -8.992
80 HE21 GLN 14 1HE2 GLN 14 1.105 -7.853 -9.838
81 HE22 GLN 14 2HE2 GLN 14 0.955 -8.807 -11.271
82 H CYS 15 H CYS 15 -1.414 -3.637 -7.456
83 HA CYS 15 HA CYS 15 -0.071 -1.411 -8.539
84 HB2 CYS 15 1HB CYS 15 -0.628 -1.785 -6.110
85 HB3 CYS 15 2HB CYS 15 0.708 -2.930 -6.046
86 H SER 16 H SER 16 1.317 -1.703 -10.186
87 HA SER 16 HA SER 16 3.019 -3.953 -10.466
88 HB2 SER 16 1HB SER 16 2.210 -2.467 -12.340
89 HB3 SER 16 2HB SER 16 3.367 -1.255 -11.789
90 HG SER 16 HG SER 16 4.514 -2.353 -13.243
91 H GLU 17 H GLU 17 3.514 -0.671 -9.253
92 HA GLU 17 HA GLU 17 6.165 -0.384 -9.013
93 HB2 GLU 17 1HB GLU 17 4.172 0.082 -6.788
94 HB3 GLU 17 2HB GLU 17 5.799 0.747 -6.834
95 HG2 GLU 17 1HG GLU 17 3.852 1.269 -9.046
96 HG3 GLU 17 2HG GLU 17 3.844 2.231 -7.569
97 H CYS 18 H CYS 18 4.289 -2.073 -6.488
98 HA CYS 18 HA CYS 18 6.747 -3.489 -5.721
99 HB2 CYS 18 1HB CYS 18 5.505 -4.004 -3.608
100 HB3 CYS 18 2HB CYS 18 5.774 -2.286 -3.880
101 H GLY 19 H GLY 19 3.283 -4.020 -6.319
102 HA2 GLY 19 1HA GLY 19 2.752 -5.923 -7.806
103 HA3 GLY 19 2HA GLY 19 3.934 -6.847 -6.889
104 H LYS 20 H LYS 20 1.437 -4.648 -5.676
105 HA LYS 20 HA LYS 20 0.337 -6.900 -4.137
106 HB2 LYS 20 1HB LYS 20 1.290 -4.755 -3.018
107 HB3 LYS 20 2HB LYS 20 -0.218 -4.011 -3.534
108 HG2 LYS 20 1HG LYS 20 -1.478 -5.207 -2.060
109 HG3 LYS 20 2HG LYS 20 -0.367 -6.579 -2.050
110 HD2 LYS 20 1HD LYS 20 0.532 -3.967 -0.920
111 HD3 LYS 20 2HD LYS 20 -0.550 -4.989 0.029
112 HE2 LYS 20 1HE LYS 20 2.018 -5.986 -1.186
113 HE3 LYS 20 2HE LYS 20 1.922 -5.308 0.439
114 HZ1 LYS 20 3HZ LYS 20 0.106 -7.491 -0.321
115 HZ2 LYS 20 1HZ LYS 20 0.709 -7.079 1.206
116 HZ3 LYS 20 2HZ LYS 20 1.709 -7.852 0.082
117 H SER 21 H SER 21 -2.087 -6.331 -3.499
118 HA SER 21 HA SER 21 -3.514 -5.450 -5.913
119 HB2 SER 21 1HB SER 21 -3.519 -7.865 -6.012
120 HB3 SER 21 2HB SER 21 -4.038 -7.976 -4.331
121 HG SER 21 HG SER 21 -5.579 -6.630 -6.279
122 H PHE 22 H PHE 22 -5.655 -4.685 -5.558
123 HA PHE 22 HA PHE 22 -6.616 -4.389 -2.847
124 HB2 PHE 22 1HB PHE 22 -5.761 -1.988 -4.475
125 HB3 PHE 22 2HB PHE 22 -6.751 -1.896 -3.022
126 HD1 PHE 22 HD2 PHE 22 -5.797 -2.359 -0.835
127 HD2 PHE 22 HD1 PHE 22 -3.410 -2.471 -4.358
128 HE1 PHE 22 HE2 PHE 22 -3.763 -2.289 0.546
129 HE2 PHE 22 HE1 PHE 22 -1.371 -2.402 -2.982
130 HZ PHE 22 HZ PHE 22 -1.546 -2.310 -0.527
131 H SER 23 H SER 23 -8.773 -4.427 -2.822
132 HA SER 23 HA SER 23 -10.196 -4.460 -5.340
133 HB2 SER 23 1HB SER 23 -11.192 -4.848 -2.507
134 HB3 SER 23 2HB SER 23 -12.142 -5.118 -3.968
135 HG SER 23 HG SER 23 -9.687 -6.425 -3.760
136 H GLY 24 H GLY 24 -9.230 -1.979 -5.114
137 HA2 GLY 24 1HA GLY 24 -11.627 -0.388 -5.026
138 HA3 GLY 24 2HA GLY 24 -10.502 -0.007 -3.730
139 H SER 25 H SER 25 -11.482 1.394 -6.278
140 HA SER 25 HA SER 25 -9.145 1.707 -7.898
141 HB2 SER 25 1HB SER 25 -10.404 3.381 -9.090
142 HB3 SER 25 2HB SER 25 -11.495 2.047 -8.716
143 HG SER 25 HG SER 25 -11.773 4.597 -8.082
144 H TYR 26 H TYR 26 -10.664 3.557 -5.301
145 HA TYR 26 HA TYR 26 -8.726 5.683 -5.451
146 HB2 TYR 26 1HB TYR 26 -11.018 6.153 -4.730
147 HB3 TYR 26 2HB TYR 26 -10.824 5.068 -3.358
148 HD1 TYR 26 HD1 TYR 26 -9.563 8.231 -4.838
149 HD2 TYR 26 HD2 TYR 26 -9.912 5.842 -1.334
150 HE1 TYR 26 HE1 TYR 26 -8.724 10.105 -3.484
151 HE2 TYR 26 HE2 TYR 26 -9.075 7.710 0.030
152 HH TYR 26 HH TYR 26 -7.964 10.716 -1.456
153 H ARG 27 H ARG 27 -9.448 3.053 -3.169
154 HA ARG 27 HA ARG 27 -7.575 3.504 -1.230
155 HB2 ARG 27 1HB ARG 27 -8.595 0.936 -2.421
156 HB3 ARG 27 2HB ARG 27 -7.440 0.933 -1.095
157 HG2 ARG 27 1HG ARG 27 -10.026 2.437 -0.922
158 HG3 ARG 27 2HG ARG 27 -9.913 0.723 -0.520
159 HD2 ARG 27 1HD ARG 27 -8.258 1.195 1.180
160 HD3 ARG 27 2HD ARG 27 -8.240 2.899 0.727
161 HE ARG 27 HE ARG 27 -10.852 2.047 1.458
162 HH11 ARG 27 1HH1 ARG 27 -7.759 2.962 2.768
163 HH12 ARG 27 2HH1 ARG 27 -8.413 3.511 4.275
164 HH21 ARG 27 1HH2 ARG 27 -11.726 2.766 3.438
165 HH22 ARG 27 2HH2 ARG 27 -10.669 3.398 4.656
166 H LEU 28 H LEU 28 -7.066 1.855 -4.331
167 HA LEU 28 HA LEU 28 -4.470 1.004 -4.038
168 HB2 LEU 28 1HB LEU 28 -5.880 0.550 -5.995
169 HB3 LEU 28 2HB LEU 28 -5.699 2.227 -6.505
170 HG LEU 28 HG LEU 28 -3.127 1.572 -6.451
171 HD11 LEU 28 1HD1 LEU 28 -4.537 -0.968 -6.254
172 HD12 LEU 28 2HD1 LEU 28 -2.834 -0.592 -5.997
173 HD13 LEU 28 3HD1 LEU 28 -3.435 -0.887 -7.628
174 HD21 LEU 28 3HD2 LEU 28 -4.776 2.265 -8.363
175 HD22 LEU 28 1HD2 LEU 28 -4.675 0.557 -8.789
176 HD23 LEU 28 2HD2 LEU 28 -3.213 1.543 -8.747
177 H THR 29 H THR 29 -5.466 4.142 -5.414
178 HA THR 29 HA THR 29 -3.038 5.311 -5.818
179 HB THR 29 HB THR 29 -5.380 6.779 -4.598
180 HG1 THR 29 HG1 THR 29 -4.955 5.715 -7.161
181 HG21 THR 29 3HG2 THR 29 -3.043 7.866 -4.937
182 HG22 THR 29 1HG2 THR 29 -4.480 8.728 -5.485
183 HG23 THR 29 2HG2 THR 29 -3.477 7.857 -6.646
184 H GLN 30 H GLN 30 -4.897 5.530 -2.779
185 HA GLN 30 HA GLN 30 -3.208 6.975 -1.223
186 HB2 GLN 30 1HB GLN 30 -4.797 4.526 -0.453
187 HB3 GLN 30 2HB GLN 30 -4.018 5.586 0.714
188 HG2 GLN 30 1HG GLN 30 -6.046 6.545 -1.285
189 HG3 GLN 30 2HG GLN 30 -6.464 5.985 0.333
190 HE21 GLN 30 1HE2 GLN 30 -6.321 7.365 1.984
191 HE22 GLN 30 2HE2 GLN 30 -5.664 8.960 1.892
192 H HIS 31 H HIS 31 -2.975 3.480 -1.816
193 HA HIS 31 HA HIS 31 -0.684 3.062 -0.218
194 HB2 HIS 31 1HB HIS 31 -1.848 1.106 -0.715
195 HB3 HIS 31 2HB HIS 31 -2.022 1.522 -2.417
196 HD1 HIS 31 HD1 HIS 31 0.592 0.302 0.030
197 HD2 HIS 31 HD2 HIS 31 -0.097 0.484 -4.063
198 HE1 HIS 31 HE1 HIS 31 2.428 -1.056 -1.022
199 H TRP 32 H TRP 32 -1.020 3.398 -3.751
200 HA TRP 32 HA TRP 32 1.556 3.183 -4.572
201 HB2 TRP 32 1HB TRP 32 -0.675 4.963 -5.487
202 HB3 TRP 32 2HB TRP 32 0.916 5.107 -6.230
203 HD1 TRP 32 HD1 TRP 32 -1.041 1.895 -5.260
204 HE1 TRP 32 HE1 TRP 32 -1.221 0.418 -7.360
205 HE3 TRP 32 HE3 TRP 32 1.213 5.004 -8.635
206 HZ2 TRP 32 HZ2 TRP 32 -0.502 0.552 -10.086
207 HZ3 TRP 32 HZ3 TRP 32 1.428 4.254 -10.968
208 HH2 TRP 32 HH2 TRP 32 0.588 2.074 -11.677
209 H ILE 33 H ILE 33 0.150 5.834 -2.783
210 HA ILE 33 HA ILE 33 1.875 7.902 -3.137
211 HB ILE 33 HB ILE 33 0.728 6.910 -0.528
212 HG12 ILE 33 1HG1 ILE 33 -0.127 9.175 -2.343
213 HG13 ILE 33 2HG1 ILE 33 -0.878 7.583 -2.310
214 HG21 ILE 33 1HG2 ILE 33 2.440 8.261 0.229
215 HG22 ILE 33 2HG2 ILE 33 2.351 9.334 -1.166
216 HG23 ILE 33 3HG2 ILE 33 1.110 9.409 0.084
217 HD11 ILE 33 3HD1 ILE 33 -1.289 8.045 0.173
218 HD12 ILE 33 1HD1 ILE 33 -0.926 9.725 -0.223
219 HD13 ILE 33 2HD1 ILE 33 -2.275 8.905 -1.010
220 H THR 34 H THR 34 2.405 5.134 -0.968
221 HA THR 34 HA THR 34 4.777 5.809 0.203
222 HB THR 34 HB THR 34 3.500 3.689 0.603
223 HG1 THR 34 HG1 THR 34 5.403 3.604 1.613
224 HG21 THR 34 3HG2 THR 34 3.742 1.810 -0.779
225 HG22 THR 34 1HG2 THR 34 5.094 2.520 -1.661
226 HG23 THR 34 2HG2 THR 34 3.459 3.137 -1.905
227 H HIS 35 H HIS 35 4.297 4.533 -3.056
228 HA HIS 35 HA HIS 35 7.072 4.282 -3.654
229 HB2 HIS 35 1HB HIS 35 4.733 4.524 -5.557
230 HB3 HIS 35 2HB HIS 35 6.345 3.939 -5.960
231 HD1 HIS 35 HD1 HIS 35 6.923 1.887 -3.894
232 HD2 HIS 35 HD2 HIS 35 3.134 2.354 -5.531
233 HE1 HIS 35 HE1 HIS 35 5.761 -0.315 -3.537
234 H THR 36 H THR 36 4.652 6.793 -4.157
235 HA THR 36 HA THR 36 6.011 8.479 -5.877
236 HB THR 36 HB THR 36 4.254 9.335 -3.569
237 HG1 THR 36 HG1 THR 36 3.524 7.773 -5.396
238 HG21 THR 36 3HG2 THR 36 3.753 11.252 -5.140
239 HG22 THR 36 1HG2 THR 36 5.138 10.722 -6.094
240 HG23 THR 36 2HG2 THR 36 5.365 11.252 -4.427
241 H ARG 37 H ARG 37 6.193 8.326 -2.335
242 HA ARG 37 HA ARG 37 8.047 10.466 -2.087
243 HB2 ARG 37 1HB ARG 37 7.354 8.214 -0.193
244 HB3 ARG 37 2HB ARG 37 8.367 9.589 0.227
245 HG2 ARG 37 1HG ARG 37 5.576 9.962 -0.797
246 HG3 ARG 37 2HG ARG 37 5.905 9.648 0.909
247 HD2 ARG 37 1HD ARG 37 5.873 11.959 0.829
248 HD3 ARG 37 2HD ARG 37 7.593 11.602 0.684
249 HE ARG 37 HE ARG 37 6.339 11.802 -1.865
250 HH11 ARG 37 1HH1 ARG 37 7.607 13.681 0.777
251 HH12 ARG 37 2HH1 ARG 37 7.966 15.062 -0.206
252 HH21 ARG 37 1HH2 ARG 37 6.806 13.614 -3.169
253 HH22 ARG 37 2HH2 ARG 37 7.509 15.023 -2.450
254 H GLU 38 H GLU 38 10.266 10.423 -1.733
255 HA GLU 38 HA GLU 38 11.619 8.106 -2.876
256 HB2 GLU 38 1HB GLU 38 12.520 10.916 -2.259
257 HB3 GLU 38 2HB GLU 38 13.634 9.658 -2.775
258 HG2 GLU 38 1HG GLU 38 12.108 9.371 -4.795
259 HG3 GLU 38 2HG GLU 38 11.383 10.903 -4.312
260 H LYS 39 H LYS 39 12.251 6.559 -1.536
261 HA LYS 39 HA LYS 39 12.437 6.793 1.249
262 HB2 LYS 39 1HB LYS 39 13.733 4.766 -0.583
263 HB3 LYS 39 2HB LYS 39 13.581 4.599 1.161
264 HG2 LYS 39 1HG LYS 39 11.052 4.870 0.741
265 HG3 LYS 39 2HG LYS 39 11.451 4.489 -0.935
266 HD2 LYS 39 1HD LYS 39 12.461 2.741 1.270
267 HD3 LYS 39 2HD LYS 39 10.792 2.580 0.716
268 HE2 LYS 39 1HE LYS 39 11.646 2.283 -1.595
269 HE3 LYS 39 2HE LYS 39 13.289 2.315 -0.956
270 HZ1 LYS 39 3HZ LYS 39 12.425 0.052 -1.301
271 HZ2 LYS 39 1HZ LYS 39 11.215 0.348 -0.156
272 HZ3 LYS 39 2HZ LYS 39 12.840 0.347 0.313
273 HA PRO 40 HA PRO 40 16.351 8.697 1.903
274 HB2 PRO 40 1HB PRO 40 16.884 7.757 4.393
275 HB3 PRO 40 2HB PRO 40 15.672 9.004 4.077
276 HG2 PRO 40 1HG PRO 40 15.298 6.066 4.512
277 HG3 PRO 40 2HG PRO 40 14.353 7.422 5.156
278 HD2 PRO 40 1HD PRO 40 13.530 5.949 3.038
279 HD3 PRO 40 2HD PRO 40 13.152 7.675 3.205
280 H SER 41 H SER 41 15.925 5.397 1.487
281 HA SER 41 HA SER 41 18.383 4.307 2.255
282 HB2 SER 41 1HB SER 41 17.888 2.529 0.585
283 HB3 SER 41 2HB SER 41 16.513 2.886 1.630
284 HG SER 41 HG SER 41 15.427 3.424 -0.076
285 H GLY 42 H GLY 42 20.043 3.445 0.671
286 HA2 GLY 42 1HA GLY 42 21.436 3.719 -1.192
287 HA3 GLY 42 2HA GLY 42 20.486 5.119 -1.668
288 HA PRO 43 HA PRO 43 24.584 6.359 0.334
289 HB2 PRO 43 1HB PRO 43 25.720 7.448 -1.877
290 HB3 PRO 43 2HB PRO 43 25.912 5.747 -1.438
291 HG2 PRO 43 1HG PRO 43 24.054 6.991 -3.429
292 HG3 PRO 43 2HG PRO 43 25.027 5.516 -3.576
293 HD2 PRO 43 1HD PRO 43 22.381 5.465 -3.004
294 HD3 PRO 43 2HD PRO 43 23.516 4.250 -2.383
295 H SER 44 H SER 44 22.818 8.042 -2.267
296 HA SER 44 HA SER 44 22.033 10.192 -0.607
297 HB2 SER 44 1HB SER 44 24.559 10.495 -2.154
298 HB3 SER 44 2HB SER 44 23.453 11.868 -2.128
299 HG SER 44 HG SER 44 25.177 11.400 -0.334
300 H SER 45 H SER 45 20.240 11.007 -1.467
301 HA SER 45 HA SER 45 19.726 10.523 -4.318
302 HB2 SER 45 1HB SER 45 17.944 10.824 -1.920
303 HB3 SER 45 2HB SER 45 17.306 11.121 -3.537
304 HG SER 45 HG SER 45 18.359 8.734 -2.461
305 H GLY 46 H GLY 46 18.871 12.994 -1.882
306 HA2 GLY 46 1HA GLY 46 19.407 15.040 -3.943
307 HA3 GLY 46 2HA GLY 46 17.971 15.116 -2.933
Start of MODEL 17
1 H1 GLY 1 H GLY 1 13.935 -21.843 -6.738
2 HA2 GLY 1 1HA GLY 1 13.411 -24.286 -5.853
3 HA3 GLY 1 2HA GLY 1 13.814 -23.497 -4.336
4 H SER 2 H SER 2 12.612 -21.303 -4.071
5 HA SER 2 HA SER 2 9.981 -21.718 -3.588
6 HB2 SER 2 1HB SER 2 9.680 -19.220 -3.785
7 HB3 SER 2 2HB SER 2 11.036 -19.721 -2.775
8 HG SER 2 HG SER 2 11.507 -18.014 -4.312
9 H SER 3 H SER 3 8.018 -21.384 -4.628
10 HA SER 3 HA SER 3 7.999 -20.663 -7.443
11 HB2 SER 3 1HB SER 3 6.929 -22.697 -8.194
12 HB3 SER 3 2HB SER 3 8.436 -23.127 -7.385
13 HG SER 3 HG SER 3 7.346 -24.054 -5.814
14 H GLY 4 H GLY 4 6.056 -19.842 -8.129
15 HA2 GLY 4 1HA GLY 4 3.808 -19.947 -6.225
16 HA3 GLY 4 2HA GLY 4 4.362 -18.402 -6.854
17 H SER 5 H SER 5 1.738 -19.621 -7.108
18 HA SER 5 HA SER 5 1.544 -20.436 -9.887
19 HB2 SER 5 1HB SER 5 0.137 -21.545 -8.199
20 HB3 SER 5 2HB SER 5 -0.624 -20.001 -7.816
21 HG SER 5 HG SER 5 -1.395 -21.702 -9.624
22 H SER 6 H SER 6 0.166 -19.357 -11.417
23 HA SER 6 HA SER 6 0.586 -16.544 -11.468
24 HB2 SER 6 1HB SER 6 0.516 -17.986 -13.504
25 HB3 SER 6 2HB SER 6 -1.217 -18.193 -13.255
26 HG SER 6 HG SER 6 -0.064 -16.280 -14.580
27 H GLY 7 H GLY 7 -2.440 -18.444 -11.461
28 HA2 GLY 7 1HA GLY 7 -4.165 -17.904 -9.823
29 HA3 GLY 7 2HA GLY 7 -3.692 -16.218 -9.977
30 H GLU 8 H GLU 8 -6.284 -16.651 -10.208
31 HA GLU 8 HA GLU 8 -6.779 -16.406 -13.099
32 HB2 GLU 8 1HB GLU 8 -8.349 -17.956 -11.052
33 HB3 GLU 8 2HB GLU 8 -9.089 -17.398 -12.545
34 HG2 GLU 8 1HG GLU 8 -7.015 -18.587 -13.634
35 HG3 GLU 8 2HG GLU 8 -7.019 -19.485 -12.117
36 H GLY 9 H GLY 9 -8.055 -15.717 -9.851
37 HA2 GLY 9 1HA GLY 9 -9.853 -13.691 -10.768
38 HA3 GLY 9 2HA GLY 9 -9.414 -14.014 -9.097
39 H GLU 10 H GLU 10 -8.017 -12.644 -12.075
40 HA GLU 10 HA GLU 10 -6.309 -10.906 -10.485
41 HB2 GLU 10 1HB GLU 10 -5.466 -12.078 -12.533
42 HB3 GLU 10 2HB GLU 10 -6.549 -11.078 -13.491
43 HG2 GLU 10 1HG GLU 10 -5.353 -9.128 -13.024
44 HG3 GLU 10 2HG GLU 10 -4.513 -9.864 -11.661
45 H LYS 11 H LYS 11 -6.996 -8.992 -9.824
46 HA LYS 11 HA LYS 11 -9.361 -7.782 -10.938
47 HB2 LYS 11 1HB LYS 11 -7.459 -6.856 -8.779
48 HB3 LYS 11 2HB LYS 11 -8.942 -6.020 -9.221
49 HG2 LYS 11 1HG LYS 11 -10.015 -8.376 -8.744
50 HG3 LYS 11 2HG LYS 11 -8.566 -8.576 -7.756
51 HD2 LYS 11 1HD LYS 11 -9.983 -7.645 -6.215
52 HD3 LYS 11 2HD LYS 11 -9.244 -6.185 -6.878
53 HE2 LYS 11 1HE LYS 11 -11.604 -5.828 -6.761
54 HE3 LYS 11 2HE LYS 11 -11.169 -6.020 -8.458
55 HZ1 LYS 11 3HZ LYS 11 -12.897 -7.622 -6.828
56 HZ2 LYS 11 1HZ LYS 11 -11.746 -8.550 -7.651
57 HZ3 LYS 11 2HZ LYS 11 -12.783 -7.531 -8.514
58 HA PRO 12 HA PRO 12 -7.516 -5.009 -13.798
59 HB2 PRO 12 1HB PRO 12 -9.188 -2.879 -13.611
60 HB3 PRO 12 2HB PRO 12 -9.648 -4.395 -14.393
61 HG2 PRO 12 1HG PRO 12 -10.279 -3.421 -11.634
62 HG3 PRO 12 2HG PRO 12 -11.337 -4.231 -12.803
63 HD2 PRO 12 1HD PRO 12 -10.183 -5.539 -10.732
64 HD3 PRO 12 2HD PRO 12 -10.512 -6.322 -12.291
65 H TYR 13 H TYR 13 -7.347 -4.540 -10.531
66 HA TYR 13 HA TYR 13 -5.678 -2.137 -10.864
67 HB2 TYR 13 1HB TYR 13 -7.362 -2.769 -8.434
68 HB3 TYR 13 2HB TYR 13 -6.396 -1.322 -8.701
69 HD1 TYR 13 HD2 TYR 13 -7.029 -0.035 -10.965
70 HD2 TYR 13 HD1 TYR 13 -9.631 -2.609 -8.795
71 HE1 TYR 13 HE2 TYR 13 -8.971 1.076 -11.986
72 HE2 TYR 13 HE1 TYR 13 -11.580 -1.506 -9.812
73 HH TYR 13 HH TYR 13 -11.667 0.070 -12.383
74 H GLN 14 H GLN 14 -3.740 -3.214 -10.932
75 HA GLN 14 HA GLN 14 -2.965 -4.583 -8.447
76 HB2 GLN 14 1HB GLN 14 -3.296 -6.254 -10.213
77 HB3 GLN 14 2HB GLN 14 -2.173 -5.386 -11.252
78 HG2 GLN 14 1HG GLN 14 -0.405 -5.778 -9.536
79 HG3 GLN 14 2HG GLN 14 -1.550 -6.808 -8.678
80 HE21 GLN 14 1HE2 GLN 14 0.759 -6.622 -11.137
81 HE22 GLN 14 2HE2 GLN 14 0.542 -8.203 -11.799
82 H CYS 15 H CYS 15 -1.587 -3.248 -7.474
83 HA CYS 15 HA CYS 15 -0.175 -1.155 -8.513
84 HB2 CYS 15 1HB CYS 15 -0.375 -1.634 -6.101
85 HB3 CYS 15 2HB CYS 15 0.752 -2.974 -6.280
86 H SER 16 H SER 16 1.159 -1.121 -10.192
87 HA SER 16 HA SER 16 2.804 -3.436 -10.819
88 HB2 SER 16 1HB SER 16 1.491 -2.077 -12.547
89 HB3 SER 16 2HB SER 16 2.726 -0.834 -12.345
90 HG SER 16 HG SER 16 3.608 -3.433 -12.801
91 H GLU 17 H GLU 17 3.540 -2.210 -8.433
92 HA GLU 17 HA GLU 17 6.189 -1.154 -9.153
93 HB2 GLU 17 1HB GLU 17 4.208 -0.059 -7.192
94 HB3 GLU 17 2HB GLU 17 5.928 0.143 -6.891
95 HG2 GLU 17 1HG GLU 17 4.517 1.031 -9.395
96 HG3 GLU 17 2HG GLU 17 4.881 2.073 -8.020
97 H CYS 18 H CYS 18 4.227 -2.590 -6.561
98 HA CYS 18 HA CYS 18 6.647 -3.992 -5.628
99 HB2 CYS 18 1HB CYS 18 5.640 -4.052 -3.399
100 HB3 CYS 18 2HB CYS 18 5.784 -2.394 -3.971
101 H GLY 19 H GLY 19 3.134 -4.256 -6.054
102 HA2 GLY 19 1HA GLY 19 2.342 -6.273 -7.221
103 HA3 GLY 19 2HA GLY 19 3.491 -7.183 -6.252
104 H LYS 20 H LYS 20 0.844 -4.856 -5.699
105 HA LYS 20 HA LYS 20 -0.268 -6.737 -3.732
106 HB2 LYS 20 1HB LYS 20 0.452 -3.868 -3.367
107 HB3 LYS 20 2HB LYS 20 -1.001 -4.459 -2.572
108 HG2 LYS 20 1HG LYS 20 0.433 -6.290 -1.589
109 HG3 LYS 20 2HG LYS 20 1.829 -5.390 -2.187
110 HD2 LYS 20 1HD LYS 20 1.604 -4.648 0.010
111 HD3 LYS 20 2HD LYS 20 0.804 -3.387 -0.931
112 HE2 LYS 20 1HE LYS 20 -0.536 -3.947 1.004
113 HE3 LYS 20 2HE LYS 20 -1.367 -4.452 -0.466
114 HZ1 LYS 20 3HZ LYS 20 0.328 -6.474 0.709
115 HZ2 LYS 20 1HZ LYS 20 -1.251 -6.595 0.112
116 HZ3 LYS 20 2HZ LYS 20 -0.982 -6.017 1.678
117 H SER 21 H SER 21 -2.296 -7.251 -4.195
118 HA SER 21 HA SER 21 -3.815 -5.518 -6.007
119 HB2 SER 21 1HB SER 21 -5.286 -7.514 -6.298
120 HB3 SER 21 2HB SER 21 -3.609 -7.815 -6.756
121 HG SER 21 HG SER 21 -4.467 -9.500 -5.464
122 H PHE 22 H PHE 22 -5.186 -4.148 -5.102
123 HA PHE 22 HA PHE 22 -6.363 -4.810 -2.498
124 HB2 PHE 22 1HB PHE 22 -6.336 -2.143 -3.924
125 HB3 PHE 22 2HB PHE 22 -6.827 -2.443 -2.260
126 HD1 PHE 22 HD1 PHE 22 -3.910 -2.652 -4.548
127 HD2 PHE 22 HD2 PHE 22 -5.280 -2.297 -0.533
128 HE1 PHE 22 HE1 PHE 22 -1.602 -2.244 -3.800
129 HE2 PHE 22 HE2 PHE 22 -2.975 -1.887 0.221
130 HZ PHE 22 HZ PHE 22 -1.132 -1.859 -1.413
131 H SER 23 H SER 23 -8.634 -4.149 -2.137
132 HA SER 23 HA SER 23 -10.256 -4.928 -4.444
133 HB2 SER 23 1HB SER 23 -10.699 -4.951 -1.474
134 HB3 SER 23 2HB SER 23 -12.077 -5.008 -2.573
135 HG SER 23 HG SER 23 -11.658 -7.037 -2.843
136 H GLY 24 H GLY 24 -9.248 -2.368 -4.631
137 HA2 GLY 24 1HA GLY 24 -11.499 -0.842 -5.200
138 HA3 GLY 24 2HA GLY 24 -10.977 -0.376 -3.588
139 H SER 25 H SER 25 -10.842 0.598 -6.642
140 HA SER 25 HA SER 25 -8.127 1.128 -7.145
141 HB2 SER 25 1HB SER 25 -8.891 2.653 -8.838
142 HB3 SER 25 2HB SER 25 -10.007 1.288 -8.815
143 HG SER 25 HG SER 25 -10.486 3.910 -8.336
144 H TYR 26 H TYR 26 -10.638 3.066 -5.562
145 HA TYR 26 HA TYR 26 -9.281 5.430 -5.179
146 HB2 TYR 26 1HB TYR 26 -11.667 4.984 -4.571
147 HB3 TYR 26 2HB TYR 26 -11.098 4.129 -3.142
148 HD1 TYR 26 HD2 TYR 26 -9.438 5.530 -1.622
149 HD2 TYR 26 HD1 TYR 26 -12.220 7.217 -4.364
150 HE1 TYR 26 HE2 TYR 26 -9.372 7.649 -0.376
151 HE2 TYR 26 HE1 TYR 26 -12.161 9.342 -3.126
152 HH TYR 26 HH TYR 26 -11.039 9.666 -0.085
153 H ARG 27 H ARG 27 -9.007 2.422 -3.378
154 HA ARG 27 HA ARG 27 -7.282 3.534 -1.365
155 HB2 ARG 27 1HB ARG 27 -8.287 0.799 -2.040
156 HB3 ARG 27 2HB ARG 27 -6.897 0.958 -0.974
157 HG2 ARG 27 1HG ARG 27 -8.423 2.625 0.317
158 HG3 ARG 27 2HG ARG 27 -9.725 1.793 -0.536
159 HD2 ARG 27 1HD ARG 27 -7.630 0.225 0.913
160 HD3 ARG 27 2HD ARG 27 -8.967 0.950 1.805
161 HE ARG 27 HE ARG 27 -10.142 -0.406 -0.266
162 HH11 ARG 27 1HH1 ARG 27 -8.010 -1.225 2.361
163 HH12 ARG 27 2HH1 ARG 27 -8.598 -2.849 2.505
164 HH21 ARG 27 1HH2 ARG 27 -10.925 -2.541 -0.087
165 HH22 ARG 27 2HH2 ARG 27 -10.255 -3.596 1.111
166 H LEU 28 H LEU 28 -6.876 1.625 -4.307
167 HA LEU 28 HA LEU 28 -4.265 0.850 -4.167
168 HB2 LEU 28 1HB LEU 28 -5.799 0.386 -6.043
169 HB3 LEU 28 2HB LEU 28 -5.601 2.050 -6.590
170 HG LEU 28 HG LEU 28 -3.041 1.322 -6.623
171 HD11 LEU 28 1HD1 LEU 28 -4.286 -1.242 -7.501
172 HD12 LEU 28 2HD1 LEU 28 -3.895 -1.003 -5.798
173 HD13 LEU 28 3HD1 LEU 28 -2.624 -0.903 -7.017
174 HD21 LEU 28 3HD2 LEU 28 -5.168 1.535 -8.532
175 HD22 LEU 28 1HD2 LEU 28 -4.044 0.270 -9.027
176 HD23 LEU 28 2HD2 LEU 28 -3.454 1.904 -8.724
177 H THR 29 H THR 29 -5.243 3.878 -5.783
178 HA THR 29 HA THR 29 -2.826 5.042 -6.170
179 HB THR 29 HB THR 29 -4.782 6.175 -6.942
180 HG1 THR 29 HG1 THR 29 -3.940 7.986 -4.968
181 HG21 THR 29 3HG2 THR 29 -6.568 6.845 -5.670
182 HG22 THR 29 1HG2 THR 29 -5.592 7.072 -4.219
183 HG23 THR 29 2HG2 THR 29 -6.043 5.446 -4.734
184 H GLN 30 H GLN 30 -4.776 5.511 -3.216
185 HA GLN 30 HA GLN 30 -3.075 7.052 -1.742
186 HB2 GLN 30 1HB GLN 30 -5.029 4.918 -1.001
187 HB3 GLN 30 2HB GLN 30 -3.995 5.587 0.254
188 HG2 GLN 30 1HG GLN 30 -4.812 7.848 -0.353
189 HG3 GLN 30 2HG GLN 30 -5.934 7.093 -1.484
190 HE21 GLN 30 1HE2 GLN 30 -5.004 7.216 1.914
191 HE22 GLN 30 2HE2 GLN 30 -6.571 6.848 2.543
192 H HIS 31 H HIS 31 -2.835 3.603 -2.356
193 HA HIS 31 HA HIS 31 -0.630 3.240 -0.531
194 HB2 HIS 31 1HB HIS 31 -1.832 1.277 -0.701
195 HB3 HIS 31 2HB HIS 31 -2.152 1.496 -2.419
196 HD1 HIS 31 HD1 HIS 31 0.519 0.299 -0.054
197 HD2 HIS 31 HD2 HIS 31 -0.315 0.329 -4.124
198 HE1 HIS 31 HE1 HIS 31 2.224 -1.223 -1.101
199 H TRP 32 H TRP 32 -1.062 4.072 -3.852
200 HA TRP 32 HA TRP 32 1.512 3.288 -4.783
201 HB2 TRP 32 1HB TRP 32 -0.703 5.001 -5.828
202 HB3 TRP 32 2HB TRP 32 0.886 5.126 -6.579
203 HD1 TRP 32 HD1 TRP 32 -1.217 2.044 -5.469
204 HE1 TRP 32 HE1 TRP 32 -1.284 0.391 -7.441
205 HE3 TRP 32 HE3 TRP 32 1.477 4.738 -8.877
206 HZ2 TRP 32 HZ2 TRP 32 -0.321 0.248 -10.090
207 HZ3 TRP 32 HZ3 TRP 32 1.860 3.771 -11.107
208 HH2 TRP 32 HH2 TRP 32 0.979 1.573 -11.699
209 H ILE 33 H ILE 33 0.174 6.276 -3.466
210 HA ILE 33 HA ILE 33 2.236 8.038 -3.996
211 HB ILE 33 HB ILE 33 0.425 7.865 -1.593
212 HG12 ILE 33 1HG1 ILE 33 -0.331 10.078 -2.884
213 HG13 ILE 33 2HG1 ILE 33 0.356 9.207 -4.250
214 HG21 ILE 33 1HG2 ILE 33 2.743 9.580 -2.078
215 HG22 ILE 33 2HG2 ILE 33 1.266 10.460 -1.686
216 HG23 ILE 33 3HG2 ILE 33 1.881 9.232 -0.579
217 HD11 ILE 33 3HD1 ILE 33 -2.202 8.946 -3.166
218 HD12 ILE 33 1HD1 ILE 33 -1.457 7.956 -4.420
219 HD13 ILE 33 2HD1 ILE 33 -1.340 7.470 -2.729
220 H THR 34 H THR 34 1.978 5.624 -1.441
221 HA THR 34 HA THR 34 4.103 6.362 0.174
222 HB THR 34 HB THR 34 4.205 4.081 0.944
223 HG1 THR 34 HG1 THR 34 3.773 2.453 -0.343
224 HG21 THR 34 3HG2 THR 34 2.253 4.386 1.970
225 HG22 THR 34 1HG2 THR 34 1.392 3.860 0.524
226 HG23 THR 34 2HG2 THR 34 1.799 5.563 0.738
227 H HIS 35 H HIS 35 4.116 4.655 -2.897
228 HA HIS 35 HA HIS 35 6.820 3.822 -2.826
229 HB2 HIS 35 1HB HIS 35 4.905 4.281 -5.114
230 HB3 HIS 35 2HB HIS 35 6.532 3.646 -5.338
231 HD1 HIS 35 HD1 HIS 35 6.663 1.642 -3.029
232 HD2 HIS 35 HD2 HIS 35 3.378 2.074 -5.536
233 HE1 HIS 35 HE1 HIS 35 5.429 -0.546 -2.904
234 H THR 36 H THR 36 5.238 6.782 -3.825
235 HA THR 36 HA THR 36 7.707 7.876 -4.911
236 HB THR 36 HB THR 36 5.117 9.377 -4.563
237 HG1 THR 36 HG1 THR 36 4.283 8.263 -6.156
238 HG21 THR 36 3HG2 THR 36 7.543 10.262 -5.362
239 HG22 THR 36 1HG2 THR 36 6.018 10.949 -5.917
240 HG23 THR 36 2HG2 THR 36 6.862 9.761 -6.909
241 H ARG 37 H ARG 37 7.709 7.224 -2.125
242 HA ARG 37 HA ARG 37 8.175 9.909 -1.022
243 HB2 ARG 37 1HB ARG 37 6.530 7.698 0.109
244 HB3 ARG 37 2HB ARG 37 7.492 8.657 1.226
245 HG2 ARG 37 1HG ARG 37 6.324 10.614 0.745
246 HG3 ARG 37 2HG ARG 37 5.666 9.960 -0.756
247 HD2 ARG 37 1HD ARG 37 4.091 8.666 0.348
248 HD3 ARG 37 2HD ARG 37 4.996 8.680 1.861
249 HE ARG 37 HE ARG 37 3.085 10.628 0.967
250 HH11 ARG 37 1HH1 ARG 37 5.860 10.072 2.996
251 HH12 ARG 37 2HH1 ARG 37 5.495 11.376 4.075
252 HH21 ARG 37 1HH2 ARG 37 2.595 12.349 2.382
253 HH22 ARG 37 2HH2 ARG 37 3.637 12.670 3.726
254 H GLU 38 H GLU 38 9.478 9.674 1.118
255 HA GLU 38 HA GLU 38 11.718 7.868 0.536
256 HB2 GLU 38 1HB GLU 38 11.547 10.435 2.110
257 HB3 GLU 38 2HB GLU 38 12.964 9.395 2.137
258 HG2 GLU 38 1HG GLU 38 13.578 10.869 0.519
259 HG3 GLU 38 2HG GLU 38 12.799 9.635 -0.469
260 H LYS 39 H LYS 39 12.142 6.201 1.823
261 HA LYS 39 HA LYS 39 11.574 6.257 4.642
262 HB2 LYS 39 1HB LYS 39 10.125 4.221 4.580
263 HB3 LYS 39 2HB LYS 39 9.368 5.659 3.907
264 HG2 LYS 39 1HG LYS 39 8.790 4.158 2.309
265 HG3 LYS 39 2HG LYS 39 10.346 4.674 1.654
266 HD2 LYS 39 1HD LYS 39 11.430 2.733 2.412
267 HD3 LYS 39 2HD LYS 39 10.113 2.325 3.513
268 HE2 LYS 39 1HE LYS 39 9.717 2.426 0.539
269 HE3 LYS 39 2HE LYS 39 10.322 0.979 1.343
270 HZ1 LYS 39 3HZ LYS 39 8.326 0.915 2.683
271 HZ2 LYS 39 1HZ LYS 39 7.917 0.920 1.041
272 HZ3 LYS 39 2HZ LYS 39 7.750 2.331 1.959
273 HA PRO 40 HA PRO 40 14.958 3.460 4.727
274 HB2 PRO 40 1HB PRO 40 14.443 2.085 7.011
275 HB3 PRO 40 2HB PRO 40 14.995 3.764 7.004
276 HG2 PRO 40 1HG PRO 40 12.222 2.684 7.326
277 HG3 PRO 40 2HG PRO 40 13.024 3.991 8.217
278 HD2 PRO 40 1HD PRO 40 11.270 4.460 6.209
279 HD3 PRO 40 2HD PRO 40 12.643 5.533 6.548
280 H SER 41 H SER 41 15.484 1.075 5.010
281 HA SER 41 HA SER 41 15.307 -1.015 4.114
282 HB2 SER 41 1HB SER 41 13.692 -0.991 6.156
283 HB3 SER 41 2HB SER 41 12.417 -1.019 4.939
284 HG SER 41 HG SER 41 13.573 -3.086 5.867
285 H GLY 42 H GLY 42 15.012 0.937 2.197
286 HA2 GLY 42 1HA GLY 42 12.662 0.371 0.599
287 HA3 GLY 42 2HA GLY 42 13.971 1.467 0.183
288 HA PRO 43 HA PRO 43 15.657 -1.459 -2.604
289 HB2 PRO 43 1HB PRO 43 18.332 -1.151 -2.254
290 HB3 PRO 43 2HB PRO 43 17.322 0.059 -3.055
291 HG2 PRO 43 1HG PRO 43 18.324 -0.006 -0.234
292 HG3 PRO 43 2HG PRO 43 18.250 1.359 -1.364
293 HD2 PRO 43 1HD PRO 43 16.418 0.988 0.595
294 HD3 PRO 43 2HD PRO 43 16.010 1.729 -0.966
295 H SER 44 H SER 44 15.280 -3.552 -2.132
296 HA SER 44 HA SER 44 17.300 -5.020 -0.676
297 HB2 SER 44 1HB SER 44 15.667 -4.262 1.082
298 HB3 SER 44 2HB SER 44 14.425 -5.199 0.252
299 HG SER 44 HG SER 44 16.225 -6.933 0.504
300 H SER 45 H SER 45 17.764 -6.417 -2.259
301 HA SER 45 HA SER 45 15.532 -7.834 -3.559
302 HB2 SER 45 1HB SER 45 16.908 -8.130 -5.495
303 HB3 SER 45 2HB SER 45 17.046 -6.435 -5.029
304 HG SER 45 HG SER 45 19.109 -6.921 -5.182
305 H GLY 46 H GLY 46 18.808 -8.233 -2.253
306 HA2 GLY 46 1HA GLY 46 18.481 -11.139 -2.272
307 HA3 GLY 46 2HA GLY 46 19.960 -10.264 -1.905
Start of MODEL 18
1 H1 GLY 1 H GLY 1 12.320 -16.858 -1.823
2 HA2 GLY 1 1HA GLY 1 12.416 -19.479 -2.946
3 HA3 GLY 1 2HA GLY 1 10.969 -19.260 -1.973
4 H SER 2 H SER 2 10.209 -19.776 -4.312
5 HA SER 2 HA SER 2 9.652 -17.195 -5.612
6 HB2 SER 2 1HB SER 2 10.619 -19.750 -6.831
7 HB3 SER 2 2HB SER 2 9.527 -18.726 -7.762
8 HG SER 2 HG SER 2 11.007 -17.046 -7.586
9 H SER 3 H SER 3 7.776 -17.589 -7.295
10 HA SER 3 HA SER 3 5.587 -18.733 -5.742
11 HB2 SER 3 1HB SER 3 5.751 -16.799 -8.034
12 HB3 SER 3 2HB SER 3 4.228 -17.608 -7.665
13 HG SER 3 HG SER 3 4.427 -16.766 -5.522
14 H GLY 4 H GLY 4 7.026 -18.972 -8.975
15 HA2 GLY 4 1HA GLY 4 7.230 -21.004 -10.169
16 HA3 GLY 4 2HA GLY 4 5.942 -21.683 -9.184
17 H SER 5 H SER 5 3.761 -20.544 -9.502
18 HA SER 5 HA SER 5 3.013 -20.850 -12.207
19 HB2 SER 5 1HB SER 5 0.792 -20.081 -11.474
20 HB3 SER 5 2HB SER 5 1.455 -21.269 -10.352
21 HG SER 5 HG SER 5 0.922 -19.753 -8.965
22 H SER 6 H SER 6 1.710 -19.123 -13.381
23 HA SER 6 HA SER 6 3.199 -16.584 -13.256
24 HB2 SER 6 1HB SER 6 3.394 -18.059 -15.342
25 HB3 SER 6 2HB SER 6 1.720 -17.617 -15.675
26 HG SER 6 HG SER 6 4.024 -16.014 -15.674
27 H GLY 7 H GLY 7 1.870 -15.455 -11.865
28 HA2 GLY 7 1HA GLY 7 0.040 -14.248 -11.177
29 HA3 GLY 7 2HA GLY 7 -0.240 -14.002 -12.894
30 H GLU 8 H GLU 8 -1.264 -15.612 -10.044
31 HA GLU 8 HA GLU 8 -3.284 -17.113 -11.571
32 HB2 GLU 8 1HB GLU 8 -1.650 -18.260 -9.898
33 HB3 GLU 8 2HB GLU 8 -2.701 -17.579 -8.665
34 HG2 GLU 8 1HG GLU 8 -4.482 -18.908 -9.249
35 HG3 GLU 8 2HG GLU 8 -3.894 -19.156 -10.892
36 H GLY 9 H GLY 9 -4.601 -15.227 -11.833
37 HA2 GLY 9 1HA GLY 9 -6.846 -14.802 -10.736
38 HA3 GLY 9 2HA GLY 9 -5.896 -14.318 -9.340
39 H GLU 10 H GLU 10 -6.551 -13.542 -12.730
40 HA GLU 10 HA GLU 10 -5.199 -11.073 -12.773
41 HB2 GLU 10 1HB GLU 10 -7.567 -11.994 -14.411
42 HB3 GLU 10 2HB GLU 10 -6.575 -10.587 -14.770
43 HG2 GLU 10 1HG GLU 10 -5.782 -13.480 -14.854
44 HG3 GLU 10 2HG GLU 10 -5.835 -12.324 -16.183
45 H LYS 11 H LYS 11 -5.615 -9.413 -11.481
46 HA LYS 11 HA LYS 11 -8.393 -8.882 -10.688
47 HB2 LYS 11 1HB LYS 11 -5.812 -7.874 -9.477
48 HB3 LYS 11 2HB LYS 11 -7.427 -7.525 -8.875
49 HG2 LYS 11 1HG LYS 11 -7.695 -9.601 -7.979
50 HG3 LYS 11 2HG LYS 11 -6.639 -10.372 -9.165
51 HD2 LYS 11 1HD LYS 11 -4.686 -9.397 -8.073
52 HD3 LYS 11 2HD LYS 11 -5.733 -8.590 -6.903
53 HE2 LYS 11 1HE LYS 11 -6.342 -10.605 -5.886
54 HE3 LYS 11 2HE LYS 11 -5.805 -11.567 -7.262
55 HZ1 LYS 11 3HZ LYS 11 -4.330 -10.699 -4.982
56 HZ2 LYS 11 1HZ LYS 11 -3.563 -10.241 -6.419
57 HZ3 LYS 11 2HZ LYS 11 -3.930 -11.868 -6.138
58 HA PRO 12 HA PRO 12 -8.566 -5.275 -13.199
59 HB2 PRO 12 1HB PRO 12 -10.413 -3.848 -11.814
60 HB3 PRO 12 2HB PRO 12 -10.825 -5.268 -12.782
61 HG2 PRO 12 1HG PRO 12 -10.411 -5.045 -9.826
62 HG3 PRO 12 2HG PRO 12 -11.666 -5.927 -10.717
63 HD2 PRO 12 1HD PRO 12 -9.487 -7.150 -9.673
64 HD3 PRO 12 2HD PRO 12 -10.272 -7.708 -11.165
65 H TYR 13 H TYR 13 -7.712 -5.124 -9.844
66 HA TYR 13 HA TYR 13 -6.302 -2.596 -10.347
67 HB2 TYR 13 1HB TYR 13 -7.959 -3.260 -7.908
68 HB3 TYR 13 2HB TYR 13 -6.855 -1.893 -8.008
69 HD1 TYR 13 HD2 TYR 13 -7.370 0.016 -9.457
70 HD2 TYR 13 HD1 TYR 13 -10.084 -3.235 -9.047
71 HE1 TYR 13 HE2 TYR 13 -9.156 1.390 -10.442
72 HE2 TYR 13 HE1 TYR 13 -11.877 -1.870 -10.032
73 HH TYR 13 HH TYR 13 -11.263 1.450 -11.135
74 H GLN 14 H GLN 14 -4.333 -3.629 -10.545
75 HA GLN 14 HA GLN 14 -3.312 -4.867 -8.076
76 HB2 GLN 14 1HB GLN 14 -3.594 -6.600 -9.753
77 HB3 GLN 14 2HB GLN 14 -2.697 -5.649 -10.929
78 HG2 GLN 14 1HG GLN 14 -0.664 -5.993 -9.831
79 HG3 GLN 14 2HG GLN 14 -1.456 -6.526 -8.349
80 HE21 GLN 14 1HE2 GLN 14 0.377 -8.166 -8.980
81 HE22 GLN 14 2HE2 GLN 14 -0.188 -9.576 -9.803
82 H CYS 15 H CYS 15 -1.748 -3.708 -7.190
83 HA CYS 15 HA CYS 15 -0.537 -1.500 -8.491
84 HB2 CYS 15 1HB CYS 15 -0.841 -1.495 -6.085
85 HB3 CYS 15 2HB CYS 15 0.180 -2.920 -5.919
86 H SER 16 H SER 16 0.983 -1.591 -9.993
87 HA SER 16 HA SER 16 2.587 -3.952 -10.374
88 HB2 SER 16 1HB SER 16 2.157 -1.393 -11.839
89 HB3 SER 16 2HB SER 16 3.661 -2.263 -12.138
90 HG SER 16 HG SER 16 1.291 -3.731 -12.167
91 H GLU 17 H GLU 17 3.115 -0.636 -9.278
92 HA GLU 17 HA GLU 17 5.759 -0.291 -9.188
93 HB2 GLU 17 1HB GLU 17 3.684 0.255 -7.098
94 HB3 GLU 17 2HB GLU 17 5.373 0.601 -6.754
95 HG2 GLU 17 1HG GLU 17 4.015 1.661 -9.205
96 HG3 GLU 17 2HG GLU 17 3.929 2.495 -7.655
97 H CYS 18 H CYS 18 4.038 -2.154 -6.679
98 HA CYS 18 HA CYS 18 6.592 -3.470 -6.031
99 HB2 CYS 18 1HB CYS 18 5.568 -3.983 -3.832
100 HB3 CYS 18 2HB CYS 18 5.680 -2.253 -4.139
101 H GLY 19 H GLY 19 3.096 -4.071 -6.326
102 HA2 GLY 19 1HA GLY 19 2.485 -5.972 -7.796
103 HA3 GLY 19 2HA GLY 19 3.754 -6.877 -6.984
104 H LYS 20 H LYS 20 1.159 -4.784 -5.739
105 HA LYS 20 HA LYS 20 0.233 -7.074 -4.129
106 HB2 LYS 20 1HB LYS 20 1.348 -5.003 -2.985
107 HB3 LYS 20 2HB LYS 20 -0.204 -4.230 -3.285
108 HG2 LYS 20 1HG LYS 20 -1.341 -5.902 -1.975
109 HG3 LYS 20 2HG LYS 20 0.163 -6.801 -1.760
110 HD2 LYS 20 1HD LYS 20 1.037 -5.244 -0.293
111 HD3 LYS 20 2HD LYS 20 0.015 -3.941 -0.905
112 HE2 LYS 20 1HE LYS 20 -0.895 -4.440 1.186
113 HE3 LYS 20 2HE LYS 20 -1.943 -5.291 0.051
114 HZ1 LYS 20 3HZ LYS 20 -0.865 -6.432 2.196
115 HZ2 LYS 20 1HZ LYS 20 0.326 -6.800 1.052
116 HZ3 LYS 20 2HZ LYS 20 -1.272 -7.289 0.795
117 H SER 21 H SER 21 -2.084 -6.875 -3.442
118 HA SER 21 HA SER 21 -3.677 -5.871 -5.703
119 HB2 SER 21 1HB SER 21 -5.324 -7.555 -5.156
120 HB3 SER 21 2HB SER 21 -3.744 -8.332 -5.254
121 HG SER 21 HG SER 21 -5.411 -8.432 -3.253
122 H PHE 22 H PHE 22 -5.590 -4.732 -5.334
123 HA PHE 22 HA PHE 22 -6.183 -3.926 -2.586
124 HB2 PHE 22 1HB PHE 22 -5.514 -2.041 -4.846
125 HB3 PHE 22 2HB PHE 22 -6.394 -1.528 -3.410
126 HD1 PHE 22 HD1 PHE 22 -3.172 -2.708 -4.701
127 HD2 PHE 22 HD2 PHE 22 -5.289 -1.266 -1.302
128 HE1 PHE 22 HE1 PHE 22 -1.038 -2.343 -3.532
129 HE2 PHE 22 HE2 PHE 22 -3.158 -0.898 -0.127
130 HZ PHE 22 HZ PHE 22 -1.029 -1.436 -1.242
131 H SER 23 H SER 23 -8.313 -3.493 -2.200
132 HA SER 23 HA SER 23 -10.154 -4.145 -4.375
133 HB2 SER 23 1HB SER 23 -10.662 -3.879 -1.402
134 HB3 SER 23 2HB SER 23 -11.833 -4.430 -2.599
135 HG SER 23 HG SER 23 -11.032 -6.318 -2.096
136 H GLY 24 H GLY 24 -9.923 -2.098 -5.453
137 HA2 GLY 24 1HA GLY 24 -11.847 -0.338 -5.482
138 HA3 GLY 24 2HA GLY 24 -11.031 0.216 -4.028
139 H SER 25 H SER 25 -11.429 1.778 -6.355
140 HA SER 25 HA SER 25 -8.944 1.841 -7.823
141 HB2 SER 25 1HB SER 25 -9.963 3.903 -8.865
142 HB3 SER 25 2HB SER 25 -10.922 2.434 -9.045
143 HG SER 25 HG SER 25 -12.465 3.492 -8.114
144 H TYR 26 H TYR 26 -10.592 3.937 -5.474
145 HA TYR 26 HA TYR 26 -8.535 5.873 -5.333
146 HB2 TYR 26 1HB TYR 26 -11.037 5.921 -4.504
147 HB3 TYR 26 2HB TYR 26 -10.329 5.344 -2.998
148 HD1 TYR 26 HD1 TYR 26 -10.451 8.147 -5.382
149 HD2 TYR 26 HD2 TYR 26 -9.001 6.792 -1.618
150 HE1 TYR 26 HE1 TYR 26 -9.858 10.458 -4.785
151 HE2 TYR 26 HE2 TYR 26 -8.405 9.099 -1.011
152 HH TYR 26 HH TYR 26 -9.407 11.554 -1.902
153 H ARG 27 H ARG 27 -9.300 3.045 -3.334
154 HA ARG 27 HA ARG 27 -7.446 3.337 -1.321
155 HB2 ARG 27 1HB ARG 27 -9.166 1.538 -1.471
156 HB3 ARG 27 2HB ARG 27 -8.166 0.731 -2.671
157 HG2 ARG 27 1HG ARG 27 -7.697 -0.370 -0.670
158 HG3 ARG 27 2HG ARG 27 -6.335 0.729 -0.898
159 HD2 ARG 27 1HD ARG 27 -7.777 2.361 0.535
160 HD3 ARG 27 2HD ARG 27 -8.601 0.888 1.044
161 HE ARG 27 HE ARG 27 -5.788 0.612 1.282
162 HH11 ARG 27 1HH1 ARG 27 -8.557 2.085 2.792
163 HH12 ARG 27 2HH1 ARG 27 -7.852 2.096 4.375
164 HH21 ARG 27 1HH2 ARG 27 -4.848 0.621 3.361
165 HH22 ARG 27 2HH2 ARG 27 -5.742 1.264 4.697
166 H LEU 28 H LEU 28 -6.964 1.973 -4.553
167 HA LEU 28 HA LEU 28 -4.362 1.047 -4.265
168 HB2 LEU 28 1HB LEU 28 -5.852 0.680 -6.223
169 HB3 LEU 28 2HB LEU 28 -5.533 2.339 -6.723
170 HG LEU 28 HG LEU 28 -3.023 1.497 -6.641
171 HD11 LEU 28 1HD1 LEU 28 -3.243 -0.694 -5.894
172 HD12 LEU 28 2HD1 LEU 28 -3.079 -0.870 -7.641
173 HD13 LEU 28 3HD1 LEU 28 -4.669 -0.994 -6.887
174 HD21 LEU 28 3HD2 LEU 28 -3.286 2.053 -8.772
175 HD22 LEU 28 1HD2 LEU 28 -5.029 1.810 -8.648
176 HD23 LEU 28 2HD2 LEU 28 -3.980 0.461 -9.085
177 H THR 29 H THR 29 -5.295 4.150 -5.762
178 HA THR 29 HA THR 29 -2.826 5.298 -6.004
179 HB THR 29 HB THR 29 -3.903 7.490 -5.883
180 HG1 THR 29 HG1 THR 29 -5.771 7.774 -4.881
181 HG21 THR 29 3HG2 THR 29 -6.086 6.092 -7.214
182 HG22 THR 29 1HG2 THR 29 -4.499 5.475 -7.671
183 HG23 THR 29 2HG2 THR 29 -4.874 7.186 -7.879
184 H GLN 30 H GLN 30 -4.904 5.319 -3.129
185 HA GLN 30 HA GLN 30 -3.432 6.987 -1.493
186 HB2 GLN 30 1HB GLN 30 -5.036 4.527 -0.793
187 HB3 GLN 30 2HB GLN 30 -4.390 5.639 0.407
188 HG2 GLN 30 1HG GLN 30 -5.673 7.462 -0.779
189 HG3 GLN 30 2HG GLN 30 -6.476 6.178 -1.682
190 HE21 GLN 30 1HE2 GLN 30 -8.143 5.140 -0.780
191 HE22 GLN 30 2HE2 GLN 30 -8.698 5.379 0.839
192 H HIS 31 H HIS 31 -2.986 3.534 -2.112
193 HA HIS 31 HA HIS 31 -0.833 3.249 -0.251
194 HB2 HIS 31 1HB HIS 31 -1.890 1.226 -0.635
195 HB3 HIS 31 2HB HIS 31 -2.070 1.527 -2.361
196 HD1 HIS 31 HD1 HIS 31 0.811 0.921 0.060
197 HD2 HIS 31 HD2 HIS 31 -0.356 0.052 -3.831
198 HE1 HIS 31 HE1 HIS 31 2.625 -0.550 -0.873
199 H TRP 32 H TRP 32 -1.034 3.504 -3.790
200 HA TRP 32 HA TRP 32 1.533 3.179 -4.571
201 HB2 TRP 32 1HB TRP 32 -0.584 5.091 -5.483
202 HB3 TRP 32 2HB TRP 32 1.027 5.186 -6.188
203 HD1 TRP 32 HD1 TRP 32 -1.283 2.149 -5.414
204 HE1 TRP 32 HE1 TRP 32 -1.403 0.697 -7.535
205 HE3 TRP 32 HE3 TRP 32 1.645 4.981 -8.503
206 HZ2 TRP 32 HZ2 TRP 32 -0.391 0.745 -10.170
207 HZ3 TRP 32 HZ3 TRP 32 2.020 4.207 -10.809
208 HH2 TRP 32 HH2 TRP 32 1.022 2.133 -11.623
209 H ILE 33 H ILE 33 0.199 6.078 -3.043
210 HA ILE 33 HA ILE 33 2.133 7.929 -3.256
211 HB ILE 33 HB ILE 33 0.770 7.154 -0.676
212 HG12 ILE 33 1HG1 ILE 33 0.059 9.417 -2.535
213 HG13 ILE 33 2HG1 ILE 33 -0.621 7.805 -2.733
214 HG21 ILE 33 1HG2 ILE 33 1.510 9.942 -0.974
215 HG22 ILE 33 2HG2 ILE 33 1.785 8.837 0.372
216 HG23 ILE 33 3HG2 ILE 33 2.913 8.873 -0.983
217 HD11 ILE 33 3HD1 ILE 33 -1.948 9.572 -1.422
218 HD12 ILE 33 1HD1 ILE 33 -1.829 7.939 -0.765
219 HD13 ILE 33 2HD1 ILE 33 -0.816 9.229 -0.114
220 H THR 34 H THR 34 2.275 5.127 -1.090
221 HA THR 34 HA THR 34 4.560 5.628 0.325
222 HB THR 34 HB THR 34 4.922 3.210 0.470
223 HG1 THR 34 HG1 THR 34 4.063 1.845 -0.957
224 HG21 THR 34 3HG2 THR 34 2.093 4.211 0.617
225 HG22 THR 34 1HG2 THR 34 3.236 3.939 1.931
226 HG23 THR 34 2HG2 THR 34 2.515 2.566 1.090
227 H HIS 35 H HIS 35 4.396 4.081 -2.881
228 HA HIS 35 HA HIS 35 7.198 3.872 -3.211
229 HB2 HIS 35 1HB HIS 35 5.161 4.043 -5.434
230 HB3 HIS 35 2HB HIS 35 6.734 3.252 -5.474
231 HD1 HIS 35 HD1 HIS 35 6.815 1.291 -3.373
232 HD2 HIS 35 HD2 HIS 35 3.212 2.201 -5.231
233 HE1 HIS 35 HE1 HIS 35 5.319 -0.685 -2.945
234 H THR 36 H THR 36 4.864 6.375 -3.978
235 HA THR 36 HA THR 36 6.353 7.947 -5.718
236 HB THR 36 HB THR 36 4.411 8.887 -3.598
237 HG1 THR 36 HG1 THR 36 3.345 7.524 -4.987
238 HG21 THR 36 3HG2 THR 36 4.115 10.742 -5.401
239 HG22 THR 36 1HG2 THR 36 5.731 10.256 -5.911
240 HG23 THR 36 2HG2 THR 36 5.464 10.842 -4.269
241 H ARG 37 H ARG 37 6.253 8.030 -2.166
242 HA ARG 37 HA ARG 37 8.811 9.486 -2.222
243 HB2 ARG 37 1HB ARG 37 7.992 10.518 -0.013
244 HB3 ARG 37 2HB ARG 37 7.320 11.145 -1.513
245 HG2 ARG 37 1HG ARG 37 5.304 9.859 -1.195
246 HG3 ARG 37 2HG ARG 37 5.983 9.099 0.245
247 HD2 ARG 37 1HD ARG 37 4.491 10.849 0.932
248 HD3 ARG 37 2HD ARG 37 6.145 11.346 1.288
249 HE ARG 37 HE ARG 37 5.897 13.078 -0.184
250 HH11 ARG 37 1HH1 ARG 37 3.389 10.734 -0.761
251 HH12 ARG 37 2HH1 ARG 37 2.540 11.729 -1.897
252 HH21 ARG 37 1HH2 ARG 37 4.789 14.397 -1.678
253 HH22 ARG 37 2HH2 ARG 37 3.338 13.813 -2.418
254 H GLU 38 H GLU 38 10.126 7.767 -1.795
255 HA GLU 38 HA GLU 38 10.156 6.797 0.911
256 HB2 GLU 38 1HB GLU 38 10.042 4.414 0.348
257 HB3 GLU 38 2HB GLU 38 8.547 5.241 -0.067
258 HG2 GLU 38 1HG GLU 38 9.186 5.293 -2.400
259 HG3 GLU 38 2HG GLU 38 10.736 4.549 -2.013
260 H LYS 39 H LYS 39 12.079 5.509 1.375
261 HA LYS 39 HA LYS 39 14.418 6.590 0.450
262 HB2 LYS 39 1HB LYS 39 15.568 4.654 1.409
263 HB3 LYS 39 2HB LYS 39 14.276 5.206 2.467
264 HG2 LYS 39 1HG LYS 39 12.840 3.405 1.668
265 HG3 LYS 39 2HG LYS 39 14.125 2.856 0.588
266 HD2 LYS 39 1HD LYS 39 14.277 1.457 2.469
267 HD3 LYS 39 2HD LYS 39 15.564 2.645 2.685
268 HE2 LYS 39 1HE LYS 39 14.633 2.676 4.774
269 HE3 LYS 39 2HE LYS 39 13.686 3.943 3.996
270 HZ1 LYS 39 3HZ LYS 39 12.212 1.813 3.418
271 HZ2 LYS 39 1HZ LYS 39 11.985 2.742 4.813
272 HZ3 LYS 39 2HZ LYS 39 12.869 1.303 4.891
273 HA PRO 40 HA PRO 40 15.087 5.003 -3.600
274 HB2 PRO 40 1HB PRO 40 17.786 5.269 -3.731
275 HB3 PRO 40 2HB PRO 40 16.680 6.645 -3.819
276 HG2 PRO 40 1HG PRO 40 18.245 5.619 -1.482
277 HG3 PRO 40 2HG PRO 40 17.990 7.293 -2.010
278 HD2 PRO 40 1HD PRO 40 16.595 6.178 0.025
279 HD3 PRO 40 2HD PRO 40 15.899 7.411 -1.048
280 H SER 41 H SER 41 15.437 3.057 -4.524
281 HA SER 41 HA SER 41 17.315 1.172 -3.374
282 HB2 SER 41 1HB SER 41 15.409 0.641 -2.019
283 HB3 SER 41 2HB SER 41 14.337 0.655 -3.419
284 HG SER 41 HG SER 41 15.874 -1.354 -2.447
285 H GLY 42 H GLY 42 18.036 -0.342 -4.829
286 HA2 GLY 42 1HA GLY 42 17.031 -0.004 -7.579
287 HA3 GLY 42 2HA GLY 42 18.660 -0.509 -7.155
288 HA PRO 43 HA PRO 43 15.618 -4.253 -6.497
289 HB2 PRO 43 1HB PRO 43 13.333 -4.098 -7.954
290 HB3 PRO 43 2HB PRO 43 13.454 -3.508 -6.292
291 HG2 PRO 43 1HG PRO 43 13.599 -1.978 -8.861
292 HG3 PRO 43 2HG PRO 43 12.747 -1.568 -7.361
293 HD2 PRO 43 1HD PRO 43 15.137 -0.480 -8.024
294 HD3 PRO 43 2HD PRO 43 14.660 -0.785 -6.341
295 H SER 44 H SER 44 14.695 -5.931 -8.158
296 HA SER 44 HA SER 44 16.396 -5.762 -10.551
297 HB2 SER 44 1HB SER 44 15.307 -8.158 -9.059
298 HB3 SER 44 2HB SER 44 16.180 -8.265 -10.587
299 HG SER 44 HG SER 44 17.113 -7.658 -8.036
300 H SER 45 H SER 45 15.560 -6.004 -12.562
301 HA SER 45 HA SER 45 12.632 -6.104 -12.752
302 HB2 SER 45 1HB SER 45 14.100 -4.176 -13.729
303 HB3 SER 45 2HB SER 45 14.429 -5.323 -15.028
304 HG SER 45 HG SER 45 11.937 -4.252 -14.222
305 H GLY 46 H GLY 46 11.702 -7.229 -14.637
306 HA2 GLY 46 1HA GLY 46 13.002 -9.822 -14.959
307 HA3 GLY 46 2HA GLY 46 11.342 -9.430 -15.382
Start of MODEL 19
1 H1 GLY 1 H GLY 1 15.491 -21.718 -15.608
2 HA2 GLY 1 1HA GLY 1 13.315 -20.645 -15.391
3 HA3 GLY 1 2HA GLY 1 12.899 -21.313 -16.962
4 H SER 2 H SER 2 13.496 -22.103 -13.583
5 HA SER 2 HA SER 2 12.427 -24.786 -13.939
6 HB2 SER 2 1HB SER 2 13.573 -23.341 -11.544
7 HB3 SER 2 2HB SER 2 12.899 -24.968 -11.459
8 HG SER 2 HG SER 2 14.904 -25.468 -11.937
9 H SER 3 H SER 3 11.682 -21.912 -11.969
10 HA SER 3 HA SER 3 9.281 -22.853 -10.888
11 HB2 SER 3 1HB SER 3 8.770 -20.481 -10.430
12 HB3 SER 3 2HB SER 3 10.436 -20.880 -10.009
13 HG SER 3 HG SER 3 10.701 -20.116 -12.400
14 H GLY 4 H GLY 4 7.122 -21.644 -11.353
15 HA2 GLY 4 1HA GLY 4 6.667 -21.106 -14.172
16 HA3 GLY 4 2HA GLY 4 5.896 -22.558 -13.549
17 H SER 5 H SER 5 4.736 -20.055 -14.611
18 HA SER 5 HA SER 5 2.976 -19.492 -12.331
19 HB2 SER 5 1HB SER 5 4.242 -17.424 -14.140
20 HB3 SER 5 2HB SER 5 2.902 -17.085 -13.044
21 HG SER 5 HG SER 5 4.242 -17.079 -11.421
22 H SER 6 H SER 6 0.992 -20.061 -12.888
23 HA SER 6 HA SER 6 -0.107 -19.223 -15.440
24 HB2 SER 6 1HB SER 6 0.952 -21.529 -15.750
25 HB3 SER 6 2HB SER 6 -0.310 -22.137 -14.678
26 HG SER 6 HG SER 6 -1.671 -20.803 -16.334
27 H GLY 7 H GLY 7 -2.106 -18.492 -15.135
28 HA2 GLY 7 1HA GLY 7 -4.101 -18.013 -14.102
29 HA3 GLY 7 2HA GLY 7 -4.153 -19.732 -13.737
30 H GLU 8 H GLU 8 -3.467 -16.558 -12.527
31 HA GLU 8 HA GLU 8 -3.082 -17.702 -9.837
32 HB2 GLU 8 1HB GLU 8 -2.033 -15.080 -10.918
33 HB3 GLU 8 2HB GLU 8 -1.828 -15.657 -9.271
34 HG2 GLU 8 1HG GLU 8 -0.588 -17.608 -10.162
35 HG3 GLU 8 2HG GLU 8 -0.703 -16.896 -11.770
36 H GLY 9 H GLY 9 -4.225 -14.746 -11.482
37 HA2 GLY 9 1HA GLY 9 -6.731 -14.427 -10.934
38 HA3 GLY 9 2HA GLY 9 -6.138 -14.354 -9.281
39 H GLU 10 H GLU 10 -5.792 -12.822 -12.462
40 HA GLU 10 HA GLU 10 -4.508 -10.491 -11.430
41 HB2 GLU 10 1HB GLU 10 -4.476 -11.440 -13.841
42 HB3 GLU 10 2HB GLU 10 -5.998 -10.581 -14.038
43 HG2 GLU 10 1HG GLU 10 -4.810 -8.498 -13.318
44 HG3 GLU 10 2HG GLU 10 -3.304 -9.412 -13.401
45 H LYS 11 H LYS 11 -5.342 -8.537 -10.868
46 HA LYS 11 HA LYS 11 -8.282 -8.324 -10.807
47 HB2 LYS 11 1HB LYS 11 -6.202 -7.492 -8.802
48 HB3 LYS 11 2HB LYS 11 -7.791 -6.739 -8.822
49 HG2 LYS 11 1HG LYS 11 -7.487 -9.715 -8.687
50 HG3 LYS 11 2HG LYS 11 -7.396 -8.711 -7.238
51 HD2 LYS 11 1HD LYS 11 -9.630 -7.711 -8.097
52 HD3 LYS 11 2HD LYS 11 -9.712 -9.174 -9.080
53 HE2 LYS 11 1HE LYS 11 -9.298 -10.444 -6.901
54 HE3 LYS 11 2HE LYS 11 -9.671 -8.926 -6.086
55 HZ1 LYS 11 3HZ LYS 11 -11.436 -10.712 -7.586
56 HZ2 LYS 11 1HZ LYS 11 -11.761 -9.053 -7.650
57 HZ3 LYS 11 2HZ LYS 11 -11.729 -9.851 -6.159
58 HA PRO 12 HA PRO 12 -8.034 -4.593 -13.108
59 HB2 PRO 12 1HB PRO 12 -10.110 -3.189 -12.065
60 HB3 PRO 12 2HB PRO 12 -10.331 -4.588 -13.123
61 HG2 PRO 12 1HG PRO 12 -10.481 -4.429 -10.138
62 HG3 PRO 12 2HG PRO 12 -11.544 -5.288 -11.267
63 HD2 PRO 12 1HD PRO 12 -9.599 -6.539 -9.858
64 HD3 PRO 12 2HD PRO 12 -10.090 -7.063 -11.482
65 H TYR 13 H TYR 13 -7.572 -4.625 -9.728
66 HA TYR 13 HA TYR 13 -6.356 -1.950 -9.861
67 HB2 TYR 13 1HB TYR 13 -7.924 -3.059 -7.524
68 HB3 TYR 13 2HB TYR 13 -7.097 -1.506 -7.564
69 HD1 TYR 13 HD2 TYR 13 -7.873 0.188 -9.340
70 HD2 TYR 13 HD1 TYR 13 -10.147 -3.227 -8.214
71 HE1 TYR 13 HE2 TYR 13 -9.900 1.249 -10.242
72 HE2 TYR 13 HE1 TYR 13 -12.181 -2.176 -9.114
73 HH TYR 13 HH TYR 13 -12.839 0.517 -9.513
74 H GLN 14 H GLN 14 -4.480 -3.393 -10.340
75 HA GLN 14 HA GLN 14 -3.297 -4.410 -7.840
76 HB2 GLN 14 1HB GLN 14 -3.790 -6.173 -9.535
77 HB3 GLN 14 2HB GLN 14 -2.696 -5.359 -10.646
78 HG2 GLN 14 1HG GLN 14 -0.851 -5.714 -9.074
79 HG3 GLN 14 2HG GLN 14 -1.952 -6.559 -7.987
80 HE21 GLN 14 1HE2 GLN 14 0.430 -7.600 -9.166
81 HE22 GLN 14 2HE2 GLN 14 -0.030 -8.942 -10.153
82 H CYS 15 H CYS 15 -1.447 -3.511 -7.189
83 HA CYS 15 HA CYS 15 -0.306 -1.369 -8.763
84 HB2 CYS 15 1HB CYS 15 -0.602 -1.018 -6.378
85 HB3 CYS 15 2HB CYS 15 0.383 -2.432 -6.016
86 H SER 16 H SER 16 1.215 -1.718 -10.227
87 HA SER 16 HA SER 16 2.685 -4.173 -10.343
88 HB2 SER 16 1HB SER 16 3.827 -3.060 -12.295
89 HB3 SER 16 2HB SER 16 2.070 -3.141 -12.423
90 HG SER 16 HG SER 16 3.724 -0.927 -11.935
91 H GLU 17 H GLU 17 3.469 -0.809 -9.561
92 HA GLU 17 HA GLU 17 6.124 -0.690 -9.384
93 HB2 GLU 17 1HB GLU 17 3.994 0.306 -7.562
94 HB3 GLU 17 2HB GLU 17 5.655 0.414 -6.997
95 HG2 GLU 17 1HG GLU 17 4.735 2.443 -8.171
96 HG3 GLU 17 2HG GLU 17 6.279 1.831 -8.762
97 H CYS 18 H CYS 18 4.101 -2.335 -6.972
98 HA CYS 18 HA CYS 18 6.521 -3.724 -6.023
99 HB2 CYS 18 1HB CYS 18 5.311 -3.968 -3.839
100 HB3 CYS 18 2HB CYS 18 5.721 -2.307 -4.257
101 H GLY 19 H GLY 19 2.989 -4.036 -6.365
102 HA2 GLY 19 1HA GLY 19 2.215 -5.981 -7.680
103 HA3 GLY 19 2HA GLY 19 3.409 -6.929 -6.806
104 H LYS 20 H LYS 20 0.813 -4.645 -5.924
105 HA LYS 20 HA LYS 20 -0.142 -6.657 -3.992
106 HB2 LYS 20 1HB LYS 20 -0.440 -3.666 -3.711
107 HB3 LYS 20 2HB LYS 20 -0.799 -4.894 -2.504
108 HG2 LYS 20 1HG LYS 20 1.977 -4.737 -3.542
109 HG3 LYS 20 2HG LYS 20 1.424 -3.475 -2.437
110 HD2 LYS 20 1HD LYS 20 2.211 -4.979 -0.913
111 HD3 LYS 20 2HD LYS 20 0.557 -5.576 -1.070
112 HE2 LYS 20 1HE LYS 20 1.500 -7.077 -2.933
113 HE3 LYS 20 2HE LYS 20 3.080 -6.680 -2.260
114 HZ1 LYS 20 3HZ LYS 20 1.834 -7.391 -0.052
115 HZ2 LYS 20 1HZ LYS 20 2.626 -8.512 -1.041
116 HZ3 LYS 20 2HZ LYS 20 0.948 -8.328 -1.148
117 H SER 21 H SER 21 -2.496 -6.301 -3.394
118 HA SER 21 HA SER 21 -4.045 -5.431 -5.741
119 HB2 SER 21 1HB SER 21 -3.836 -7.937 -5.585
120 HB3 SER 21 2HB SER 21 -4.707 -7.853 -4.054
121 HG SER 21 HG SER 21 -5.816 -6.621 -6.312
122 H PHE 22 H PHE 22 -6.250 -4.817 -5.293
123 HA PHE 22 HA PHE 22 -7.022 -4.412 -2.531
124 HB2 PHE 22 1HB PHE 22 -6.642 -2.043 -4.375
125 HB3 PHE 22 2HB PHE 22 -7.295 -1.989 -2.741
126 HD1 PHE 22 HD2 PHE 22 -5.824 -2.454 -0.809
127 HD2 PHE 22 HD1 PHE 22 -4.309 -2.127 -4.773
128 HE1 PHE 22 HE2 PHE 22 -3.554 -2.146 0.088
129 HE2 PHE 22 HE1 PHE 22 -2.036 -1.820 -3.882
130 HZ PHE 22 HZ PHE 22 -1.656 -1.828 -1.449
131 H SER 23 H SER 23 -9.229 -3.858 -2.277
132 HA SER 23 HA SER 23 -10.856 -4.637 -4.568
133 HB2 SER 23 1HB SER 23 -11.665 -4.170 -1.687
134 HB3 SER 23 2HB SER 23 -12.678 -4.870 -2.950
135 HG SER 23 HG SER 23 -10.229 -5.966 -2.023
136 H GLY 24 H GLY 24 -9.689 -2.125 -4.842
137 HA2 GLY 24 1HA GLY 24 -11.924 -0.535 -5.484
138 HA3 GLY 24 2HA GLY 24 -11.238 0.040 -3.972
139 H SER 25 H SER 25 -11.357 1.618 -6.268
140 HA SER 25 HA SER 25 -8.841 1.559 -7.646
141 HB2 SER 25 1HB SER 25 -11.167 2.531 -8.408
142 HB3 SER 25 2HB SER 25 -10.591 3.990 -7.600
143 HG SER 25 HG SER 25 -8.769 3.946 -8.956
144 H TYR 26 H TYR 26 -10.317 3.894 -5.388
145 HA TYR 26 HA TYR 26 -8.092 5.522 -5.042
146 HB2 TYR 26 1HB TYR 26 -10.431 5.992 -4.248
147 HB3 TYR 26 2HB TYR 26 -10.139 4.887 -2.910
148 HD1 TYR 26 HD2 TYR 26 -7.967 5.425 -1.497
149 HD2 TYR 26 HD1 TYR 26 -10.034 8.245 -3.922
150 HE1 TYR 26 HE2 TYR 26 -6.983 7.261 -0.190
151 HE2 TYR 26 HE1 TYR 26 -9.054 10.089 -2.622
152 HH TYR 26 HH TYR 26 -7.149 10.524 -1.191
153 H ARG 27 H ARG 27 -9.096 2.677 -3.166
154 HA ARG 27 HA ARG 27 -7.222 2.663 -1.173
155 HB2 ARG 27 1HB ARG 27 -8.643 0.515 -2.668
156 HB3 ARG 27 2HB ARG 27 -7.310 0.040 -1.624
157 HG2 ARG 27 1HG ARG 27 -9.060 -0.137 -0.173
158 HG3 ARG 27 2HG ARG 27 -8.567 1.530 0.129
159 HD2 ARG 27 1HD ARG 27 -10.297 2.329 -1.388
160 HD3 ARG 27 2HD ARG 27 -10.769 0.668 -1.743
161 HE ARG 27 HE ARG 27 -10.889 1.315 1.051
162 HH11 ARG 27 1HH1 ARG 27 -12.598 1.428 -1.980
163 HH12 ARG 27 2HH1 ARG 27 -14.166 1.474 -1.244
164 HH21 ARG 27 1HH2 ARG 27 -12.947 1.376 2.032
165 HH22 ARG 27 2HH2 ARG 27 -14.363 1.445 1.039
166 H LEU 28 H LEU 28 -6.811 1.561 -4.508
167 HA LEU 28 HA LEU 28 -4.179 0.562 -4.164
168 HB2 LEU 28 1HB LEU 28 -5.567 -0.148 -6.015
169 HB3 LEU 28 2HB LEU 28 -5.630 1.502 -6.633
170 HG LEU 28 HG LEU 28 -2.992 1.152 -6.717
171 HD11 LEU 28 1HD1 LEU 28 -2.810 -1.022 -5.856
172 HD12 LEU 28 2HD1 LEU 28 -2.640 -1.208 -7.601
173 HD13 LEU 28 3HD1 LEU 28 -4.167 -1.610 -6.816
174 HD21 LEU 28 3HD2 LEU 28 -3.829 -0.110 -9.056
175 HD22 LEU 28 1HD2 LEU 28 -3.590 1.619 -8.806
176 HD23 LEU 28 2HD2 LEU 28 -5.187 0.908 -8.574
177 H THR 29 H THR 29 -5.351 3.551 -5.719
178 HA THR 29 HA THR 29 -2.929 4.740 -6.264
179 HB THR 29 HB THR 29 -5.473 6.112 -5.374
180 HG1 THR 29 HG1 THR 29 -5.438 4.717 -7.341
181 HG21 THR 29 3HG2 THR 29 -4.579 8.129 -5.903
182 HG22 THR 29 1HG2 THR 29 -3.554 7.463 -7.174
183 HG23 THR 29 2HG2 THR 29 -3.071 7.318 -5.484
184 H GLN 30 H GLN 30 -4.920 5.505 -3.399
185 HA GLN 30 HA GLN 30 -3.257 7.090 -1.991
186 HB2 GLN 30 1HB GLN 30 -4.292 6.307 0.043
187 HB3 GLN 30 2HB GLN 30 -5.500 6.341 -1.235
188 HG2 GLN 30 1HG GLN 30 -5.618 4.042 -1.371
189 HG3 GLN 30 2HG GLN 30 -4.025 3.815 -0.651
190 HE21 GLN 30 1HE2 GLN 30 -4.898 2.321 0.816
191 HE22 GLN 30 2HE2 GLN 30 -5.823 2.832 2.182
192 H HIS 31 H HIS 31 -2.851 3.668 -2.531
193 HA HIS 31 HA HIS 31 -0.706 3.411 -0.612
194 HB2 HIS 31 1HB HIS 31 -1.796 1.391 -0.789
195 HB3 HIS 31 2HB HIS 31 -2.109 1.588 -2.511
196 HD1 HIS 31 HD1 HIS 31 0.256 0.088 -0.121
197 HD2 HIS 31 HD2 HIS 31 0.128 0.926 -4.189
198 HE1 HIS 31 HE1 HIS 31 2.120 -1.255 -1.143
199 H TRP 32 H TRP 32 -1.029 3.500 -4.142
200 HA TRP 32 HA TRP 32 1.512 2.993 -4.973
201 HB2 TRP 32 1HB TRP 32 -0.605 4.850 -5.971
202 HB3 TRP 32 2HB TRP 32 0.994 4.923 -6.707
203 HD1 TRP 32 HD1 TRP 32 -1.048 1.794 -5.650
204 HE1 TRP 32 HE1 TRP 32 -1.266 0.263 -7.708
205 HE3 TRP 32 HE3 TRP 32 1.280 4.750 -9.111
206 HZ2 TRP 32 HZ2 TRP 32 -0.546 0.303 -10.437
207 HZ3 TRP 32 HZ3 TRP 32 1.474 3.930 -11.423
208 HH2 TRP 32 HH2 TRP 32 0.580 1.752 -12.070
209 H ILE 33 H ILE 33 0.317 5.991 -3.550
210 HA ILE 33 HA ILE 33 2.486 7.653 -4.005
211 HB ILE 33 HB ILE 33 0.606 7.528 -1.652
212 HG12 ILE 33 1HG1 ILE 33 0.005 9.809 -2.896
213 HG13 ILE 33 2HG1 ILE 33 0.692 8.951 -4.270
214 HG21 ILE 33 1HG2 ILE 33 2.245 8.699 -0.612
215 HG22 ILE 33 2HG2 ILE 33 2.975 9.235 -2.125
216 HG23 ILE 33 3HG2 ILE 33 1.524 10.030 -1.516
217 HD11 ILE 33 3HD1 ILE 33 -1.009 7.447 -4.357
218 HD12 ILE 33 1HD1 ILE 33 -1.335 7.545 -2.627
219 HD13 ILE 33 2HD1 ILE 33 -1.873 8.837 -3.701
220 H THR 34 H THR 34 2.032 5.185 -1.534
221 HA THR 34 HA THR 34 4.031 5.691 0.244
222 HB THR 34 HB THR 34 4.221 3.295 0.643
223 HG1 THR 34 HG1 THR 34 3.991 2.964 -1.842
224 HG21 THR 34 3HG2 THR 34 1.471 2.992 0.261
225 HG22 THR 34 1HG2 THR 34 1.716 4.723 0.482
226 HG23 THR 34 2HG2 THR 34 2.283 3.588 1.708
227 H HIS 35 H HIS 35 4.374 4.738 -3.072
228 HA HIS 35 HA HIS 35 7.130 3.944 -2.850
229 HB2 HIS 35 1HB HIS 35 5.525 4.630 -5.321
230 HB3 HIS 35 2HB HIS 35 7.075 3.796 -5.287
231 HD1 HIS 35 HD1 HIS 35 6.794 1.550 -3.463
232 HD2 HIS 35 HD2 HIS 35 3.581 2.825 -5.768
233 HE1 HIS 35 HE1 HIS 35 5.234 -0.419 -3.589
234 H THR 36 H THR 36 5.368 6.844 -3.783
235 HA THR 36 HA THR 36 7.753 8.250 -4.597
236 HB THR 36 HB THR 36 5.014 9.414 -4.071
237 HG1 THR 36 HG1 THR 36 6.114 8.350 -6.480
238 HG21 THR 36 3HG2 THR 36 7.533 10.529 -4.885
239 HG22 THR 36 1HG2 THR 36 6.004 11.348 -4.569
240 HG23 THR 36 2HG2 THR 36 6.348 10.713 -6.178
241 H ARG 37 H ARG 37 8.053 7.285 -2.011
242 HA ARG 37 HA ARG 37 7.763 9.672 -0.320
243 HB2 ARG 37 1HB ARG 37 8.199 6.769 0.389
244 HB3 ARG 37 2HB ARG 37 8.264 8.076 1.563
245 HG2 ARG 37 1HG ARG 37 5.859 7.545 -0.157
246 HG3 ARG 37 2HG ARG 37 6.094 6.813 1.431
247 HD2 ARG 37 1HD ARG 37 6.205 9.784 0.993
248 HD3 ARG 37 2HD ARG 37 4.695 8.938 1.329
249 HE ARG 37 HE ARG 37 6.652 8.274 3.261
250 HH11 ARG 37 1HH1 ARG 37 4.525 10.852 2.287
251 HH12 ARG 37 2HH1 ARG 37 4.394 11.521 3.879
252 HH21 ARG 37 1HH2 ARG 37 6.488 9.146 5.362
253 HH22 ARG 37 2HH2 ARG 37 5.511 10.551 5.628
254 H GLU 38 H GLU 38 10.090 6.988 -0.688
255 HA GLU 38 HA GLU 38 12.268 8.254 0.469
256 HB2 GLU 38 1HB GLU 38 12.074 6.106 -1.630
257 HB3 GLU 38 2HB GLU 38 13.629 6.680 -1.045
258 HG2 GLU 38 1HG GLU 38 13.045 6.024 1.218
259 HG3 GLU 38 2HG GLU 38 11.457 5.494 0.667
260 H LYS 39 H LYS 39 14.358 8.735 -0.834
261 HA LYS 39 HA LYS 39 14.151 11.135 -2.107
262 HB2 LYS 39 1HB LYS 39 16.200 8.971 -2.161
263 HB3 LYS 39 2HB LYS 39 16.358 10.281 -3.324
264 HG2 LYS 39 1HG LYS 39 16.063 11.803 -1.230
265 HG3 LYS 39 2HG LYS 39 16.555 10.354 -0.350
266 HD2 LYS 39 1HD LYS 39 18.544 10.242 -1.909
267 HD3 LYS 39 2HD LYS 39 18.091 11.857 -2.460
268 HE2 LYS 39 1HE LYS 39 19.785 12.036 -0.752
269 HE3 LYS 39 2HE LYS 39 18.258 12.660 -0.130
270 HZ1 LYS 39 3HZ LYS 39 19.045 9.859 0.357
271 HZ2 LYS 39 1HZ LYS 39 17.970 10.829 1.233
272 HZ3 LYS 39 2HZ LYS 39 19.636 11.101 1.342
273 HA PRO 40 HA PRO 40 12.395 10.421 -6.079
274 HB2 PRO 40 1HB PRO 40 13.358 12.601 -7.380
275 HB3 PRO 40 2HB PRO 40 12.066 12.693 -6.178
276 HG2 PRO 40 1HG PRO 40 14.988 13.262 -5.865
277 HG3 PRO 40 2HG PRO 40 13.598 14.169 -5.239
278 HD2 PRO 40 1HD PRO 40 15.037 12.465 -3.703
279 HD3 PRO 40 2HD PRO 40 13.297 12.728 -3.465
280 H SER 41 H SER 41 15.616 10.062 -5.389
281 HA SER 41 HA SER 41 16.276 9.360 -8.175
282 HB2 SER 41 1HB SER 41 17.705 11.150 -7.308
283 HB3 SER 41 2HB SER 41 18.146 10.147 -5.926
284 HG SER 41 HG SER 41 19.479 10.261 -8.071
285 H GLY 42 H GLY 42 15.307 7.280 -7.909
286 HA2 GLY 42 1HA GLY 42 16.783 5.476 -6.099
287 HA3 GLY 42 2HA GLY 42 15.147 5.195 -6.676
288 HA PRO 43 HA PRO 43 18.201 2.793 -9.279
289 HB2 PRO 43 1HB PRO 43 17.031 0.372 -8.901
290 HB3 PRO 43 2HB PRO 43 18.270 1.020 -7.819
291 HG2 PRO 43 1HG PRO 43 15.294 1.001 -7.496
292 HG3 PRO 43 2HG PRO 43 16.552 0.653 -6.295
293 HD2 PRO 43 1HD PRO 43 15.276 3.038 -6.418
294 HD3 PRO 43 2HD PRO 43 16.966 2.885 -5.897
295 H SER 44 H SER 44 17.841 2.212 -11.381
296 HA SER 44 HA SER 44 15.794 3.161 -12.852
297 HB2 SER 44 1HB SER 44 16.457 1.733 -14.630
298 HB3 SER 44 2HB SER 44 17.914 1.993 -13.670
299 HG SER 44 HG SER 44 16.964 -0.072 -12.573
300 H SER 45 H SER 45 13.750 2.614 -13.430
301 HA SER 45 HA SER 45 12.650 0.024 -12.739
302 HB2 SER 45 1HB SER 45 12.446 1.428 -10.656
303 HB3 SER 45 2HB SER 45 11.395 2.514 -11.566
304 HG SER 45 HG SER 45 9.825 1.153 -11.303
305 H GLY 46 H GLY 46 10.476 -0.290 -13.595
306 HA2 GLY 46 1HA GLY 46 8.800 1.245 -14.958
307 HA3 GLY 46 2HA GLY 46 10.147 1.195 -16.086
Start of MODEL 20
1 H1 GLY 1 H GLY 1 11.194 -17.709 2.254
2 HA2 GLY 1 1HA GLY 1 11.466 -14.916 1.536
3 HA3 GLY 1 2HA GLY 1 11.932 -16.043 0.271
4 H SER 2 H SER 2 9.374 -14.392 1.736
5 HA SER 2 HA SER 2 7.500 -15.423 -0.179
6 HB2 SER 2 1HB SER 2 6.994 -15.932 2.763
7 HB3 SER 2 2HB SER 2 5.838 -16.214 1.462
8 HG SER 2 HG SER 2 8.344 -17.499 1.821
9 H SER 3 H SER 3 5.891 -13.987 -0.599
10 HA SER 3 HA SER 3 5.698 -11.638 1.170
11 HB2 SER 3 1HB SER 3 5.419 -10.218 -0.789
12 HB3 SER 3 2HB SER 3 6.927 -11.123 -0.927
13 HG SER 3 HG SER 3 4.584 -12.182 -2.048
14 H GLY 4 H GLY 4 4.095 -14.145 -0.482
15 HA2 GLY 4 1HA GLY 4 1.785 -14.476 0.477
16 HA3 GLY 4 2HA GLY 4 1.488 -12.825 -0.046
17 H SER 5 H SER 5 1.836 -16.136 -1.037
18 HA SER 5 HA SER 5 2.035 -16.150 -3.711
19 HB2 SER 5 1HB SER 5 0.223 -17.705 -1.895
20 HB3 SER 5 2HB SER 5 0.123 -17.943 -3.640
21 HG SER 5 HG SER 5 2.425 -18.259 -2.010
22 H SER 6 H SER 6 0.658 -15.946 -5.517
23 HA SER 6 HA SER 6 -1.177 -13.753 -5.324
24 HB2 SER 6 1HB SER 6 -0.117 -15.450 -7.554
25 HB3 SER 6 2HB SER 6 -1.533 -14.439 -7.837
26 HG SER 6 HG SER 6 1.109 -13.722 -7.415
27 H GLY 7 H GLY 7 -3.328 -13.970 -6.604
28 HA2 GLY 7 1HA GLY 7 -4.696 -16.391 -5.603
29 HA3 GLY 7 2HA GLY 7 -5.444 -14.803 -5.675
30 H GLU 8 H GLU 8 -6.607 -17.077 -6.802
31 HA GLU 8 HA GLU 8 -6.054 -17.329 -9.571
32 HB2 GLU 8 1HB GLU 8 -8.230 -18.209 -7.739
33 HB3 GLU 8 2HB GLU 8 -8.568 -18.209 -9.464
34 HG2 GLU 8 1HG GLU 8 -6.738 -19.705 -9.879
35 HG3 GLU 8 2HG GLU 8 -6.230 -19.613 -8.194
36 H GLY 9 H GLY 9 -6.584 -16.051 -11.218
37 HA2 GLY 9 1HA GLY 9 -8.202 -14.770 -12.446
38 HA3 GLY 9 2HA GLY 9 -8.882 -14.236 -10.916
39 H GLU 10 H GLU 10 -8.256 -12.459 -12.961
40 HA GLU 10 HA GLU 10 -5.821 -11.128 -11.982
41 HB2 GLU 10 1HB GLU 10 -5.780 -11.626 -14.368
42 HB3 GLU 10 2HB GLU 10 -7.309 -10.787 -14.591
43 HG2 GLU 10 1HG GLU 10 -6.315 -8.682 -14.088
44 HG3 GLU 10 2HG GLU 10 -4.811 -9.451 -13.585
45 H LYS 11 H LYS 11 -6.266 -9.658 -10.481
46 HA LYS 11 HA LYS 11 -8.802 -8.413 -10.184
47 HB2 LYS 11 1HB LYS 11 -7.704 -7.070 -8.440
48 HB3 LYS 11 2HB LYS 11 -7.343 -8.782 -8.269
49 HG2 LYS 11 1HG LYS 11 -5.231 -8.103 -9.714
50 HG3 LYS 11 2HG LYS 11 -5.561 -6.527 -8.992
51 HD2 LYS 11 1HD LYS 11 -4.190 -7.397 -7.386
52 HD3 LYS 11 2HD LYS 11 -5.744 -7.982 -6.787
53 HE2 LYS 11 1HE LYS 11 -4.255 -9.676 -8.725
54 HE3 LYS 11 2HE LYS 11 -3.657 -9.588 -7.068
55 HZ1 LYS 11 3HZ LYS 11 -6.148 -10.056 -6.516
56 HZ2 LYS 11 1HZ LYS 11 -5.108 -11.327 -6.921
57 HZ3 LYS 11 2HZ LYS 11 -6.174 -10.706 -8.078
58 HA PRO 12 HA PRO 12 -8.448 -5.017 -12.961
59 HB2 PRO 12 1HB PRO 12 -10.168 -3.290 -11.766
60 HB3 PRO 12 2HB PRO 12 -10.706 -4.721 -12.654
61 HG2 PRO 12 1HG PRO 12 -10.386 -4.332 -9.703
62 HG3 PRO 12 2HG PRO 12 -11.699 -5.127 -10.591
63 HD2 PRO 12 1HD PRO 12 -9.722 -6.512 -9.364
64 HD3 PRO 12 2HD PRO 12 -10.508 -7.084 -10.850
65 H TYR 13 H TYR 13 -7.650 -4.765 -9.613
66 HA TYR 13 HA TYR 13 -6.045 -2.369 -10.196
67 HB2 TYR 13 1HB TYR 13 -7.470 -2.899 -7.583
68 HB3 TYR 13 2HB TYR 13 -6.519 -1.476 -7.993
69 HD1 TYR 13 HD2 TYR 13 -7.356 -0.110 -10.058
70 HD2 TYR 13 HD1 TYR 13 -9.771 -2.853 -7.878
71 HE1 TYR 13 HE2 TYR 13 -9.378 1.001 -10.911
72 HE2 TYR 13 HE1 TYR 13 -11.799 -1.750 -8.726
73 HH TYR 13 HH TYR 13 -11.979 1.138 -9.876
74 H GLN 14 H GLN 14 -4.060 -3.260 -10.322
75 HA GLN 14 HA GLN 14 -3.034 -4.563 -7.910
76 HB2 GLN 14 1HB GLN 14 -3.632 -6.350 -9.508
77 HB3 GLN 14 2HB GLN 14 -2.576 -5.614 -10.707
78 HG2 GLN 14 1HG GLN 14 -0.723 -5.906 -8.957
79 HG3 GLN 14 2HG GLN 14 -1.845 -7.012 -8.165
80 HE21 GLN 14 1HE2 GLN 14 0.779 -7.166 -9.821
81 HE22 GLN 14 2HE2 GLN 14 0.484 -8.503 -10.875
82 H CYS 15 H CYS 15 -1.552 -3.148 -7.245
83 HA CYS 15 HA CYS 15 -0.246 -1.206 -8.650
84 HB2 CYS 15 1HB CYS 15 -0.126 -1.321 -6.233
85 HB3 CYS 15 2HB CYS 15 0.798 -2.817 -6.314
86 H SER 16 H SER 16 1.215 -1.155 -10.221
87 HA SER 16 HA SER 16 2.620 -3.636 -10.905
88 HB2 SER 16 1HB SER 16 3.008 -2.589 -13.098
89 HB3 SER 16 2HB SER 16 1.291 -2.599 -12.693
90 HG SER 16 HG SER 16 2.001 -0.365 -11.761
91 H GLU 17 H GLU 17 3.494 -2.033 -8.684
92 HA GLU 17 HA GLU 17 6.145 -1.233 -9.686
93 HB2 GLU 17 1HB GLU 17 4.388 0.111 -7.651
94 HB3 GLU 17 2HB GLU 17 6.131 0.338 -7.633
95 HG2 GLU 17 1HG GLU 17 5.300 2.154 -8.836
96 HG3 GLU 17 2HG GLU 17 5.910 1.044 -10.062
97 H CYS 18 H CYS 18 4.270 -2.552 -7.005
98 HA CYS 18 HA CYS 18 6.733 -3.829 -6.010
99 HB2 CYS 18 1HB CYS 18 5.844 -3.688 -3.744
100 HB3 CYS 18 2HB CYS 18 5.930 -2.082 -4.461
101 H GLY 19 H GLY 19 3.208 -4.089 -6.297
102 HA2 GLY 19 1HA GLY 19 2.444 -6.238 -7.297
103 HA3 GLY 19 2HA GLY 19 3.518 -7.025 -6.151
104 H LYS 20 H LYS 20 1.606 -4.243 -5.273
105 HA LYS 20 HA LYS 20 0.227 -5.854 -3.279
106 HB2 LYS 20 1HB LYS 20 1.340 -3.532 -2.906
107 HB3 LYS 20 2HB LYS 20 -0.129 -2.893 -3.630
108 HG2 LYS 20 1HG LYS 20 -0.730 -2.820 -1.444
109 HG3 LYS 20 2HG LYS 20 -1.269 -4.456 -1.830
110 HD2 LYS 20 1HD LYS 20 -0.081 -4.894 0.069
111 HD3 LYS 20 2HD LYS 20 1.215 -5.045 -1.120
112 HE2 LYS 20 1HE LYS 20 1.780 -2.655 -0.705
113 HE3 LYS 20 2HE LYS 20 0.582 -2.642 0.588
114 HZ1 LYS 20 3HZ LYS 20 1.970 -4.704 1.378
115 HZ2 LYS 20 1HZ LYS 20 2.450 -3.128 1.766
116 HZ3 LYS 20 2HZ LYS 20 3.198 -3.951 0.491
117 H SER 21 H SER 21 -2.037 -5.894 -3.033
118 HA SER 21 HA SER 21 -3.545 -5.140 -5.451
119 HB2 SER 21 1HB SER 21 -4.062 -7.551 -3.695
120 HB3 SER 21 2HB SER 21 -4.919 -7.126 -5.177
121 HG SER 21 HG SER 21 -2.291 -8.078 -4.851
122 H PHE 22 H PHE 22 -5.899 -4.866 -5.063
123 HA PHE 22 HA PHE 22 -6.766 -4.317 -2.372
124 HB2 PHE 22 1HB PHE 22 -6.820 -1.977 -4.261
125 HB3 PHE 22 2HB PHE 22 -7.046 -1.988 -2.515
126 HD1 PHE 22 HD1 PHE 22 -4.554 -2.303 -5.213
127 HD2 PHE 22 HD2 PHE 22 -5.210 -1.802 -1.037
128 HE1 PHE 22 HE1 PHE 22 -2.175 -1.755 -4.908
129 HE2 PHE 22 HE2 PHE 22 -2.832 -1.252 -0.726
130 HZ PHE 22 HZ PHE 22 -1.311 -1.228 -2.663
131 H SER 23 H SER 23 -9.042 -3.337 -2.421
132 HA SER 23 HA SER 23 -10.533 -4.679 -4.567
133 HB2 SER 23 1HB SER 23 -10.989 -5.405 -2.232
134 HB3 SER 23 2HB SER 23 -11.527 -3.769 -1.855
135 HG SER 23 HG SER 23 -13.073 -4.096 -3.633
136 H GLY 24 H GLY 24 -9.429 -2.242 -5.240
137 HA2 GLY 24 1HA GLY 24 -11.339 -0.845 -6.503
138 HA3 GLY 24 2HA GLY 24 -11.435 -0.175 -4.881
139 H SER 25 H SER 25 -10.801 1.366 -7.121
140 HA SER 25 HA SER 25 -7.995 1.690 -7.439
141 HB2 SER 25 1HB SER 25 -9.454 2.454 -9.194
142 HB3 SER 25 2HB SER 25 -10.319 3.516 -8.083
143 HG SER 25 HG SER 25 -8.327 4.675 -7.831
144 H TYR 26 H TYR 26 -10.445 3.493 -5.600
145 HA TYR 26 HA TYR 26 -9.062 5.557 -4.561
146 HB2 TYR 26 1HB TYR 26 -11.450 4.715 -4.013
147 HB3 TYR 26 2HB TYR 26 -10.679 3.839 -2.696
148 HD1 TYR 26 HD2 TYR 26 -9.684 5.042 -0.817
149 HD2 TYR 26 HD1 TYR 26 -11.643 7.126 -3.967
150 HE1 TYR 26 HE2 TYR 26 -9.774 7.061 0.583
151 HE2 TYR 26 HE1 TYR 26 -11.737 9.152 -2.575
152 HH TYR 26 HH TYR 26 -11.586 9.324 0.436
153 H ARG 27 H ARG 27 -8.831 2.199 -3.470
154 HA ARG 27 HA ARG 27 -6.990 2.767 -1.360
155 HB2 ARG 27 1HB ARG 27 -7.744 0.185 -2.735
156 HB3 ARG 27 2HB ARG 27 -6.670 0.277 -1.346
157 HG2 ARG 27 1HG ARG 27 -9.409 1.461 -1.209
158 HG3 ARG 27 2HG ARG 27 -9.170 -0.274 -0.993
159 HD2 ARG 27 1HD ARG 27 -8.997 0.423 1.177
160 HD3 ARG 27 2HD ARG 27 -7.308 0.534 0.684
161 HE ARG 27 HE ARG 27 -7.425 2.802 0.944
162 HH11 ARG 27 1HH1 ARG 27 -10.655 1.515 0.770
163 HH12 ARG 27 2HH1 ARG 27 -11.417 3.020 1.163
164 HH21 ARG 27 1HH2 ARG 27 -8.416 4.790 1.462
165 HH22 ARG 27 2HH2 ARG 27 -10.142 4.883 1.556
166 H LEU 28 H LEU 28 -6.613 1.173 -4.529
167 HA LEU 28 HA LEU 28 -3.952 0.669 -4.583
168 HB2 LEU 28 1HB LEU 28 -5.444 0.146 -6.426
169 HB3 LEU 28 2HB LEU 28 -5.592 1.859 -6.816
170 HG LEU 28 HG LEU 28 -2.957 1.628 -7.091
171 HD11 LEU 28 1HD1 LEU 28 -2.866 -0.695 -8.416
172 HD12 LEU 28 2HD1 LEU 28 -4.000 -1.135 -7.140
173 HD13 LEU 28 3HD1 LEU 28 -2.397 -0.530 -6.724
174 HD21 LEU 28 3HD2 LEU 28 -3.786 2.379 -9.025
175 HD22 LEU 28 1HD2 LEU 28 -5.254 1.414 -8.873
176 HD23 LEU 28 2HD2 LEU 28 -3.788 0.690 -9.535
177 H THR 29 H THR 29 -5.302 3.723 -5.846
178 HA THR 29 HA THR 29 -2.948 5.093 -6.221
179 HB THR 29 HB THR 29 -5.175 5.933 -6.913
180 HG1 THR 29 HG1 THR 29 -3.285 7.488 -5.560
181 HG21 THR 29 3HG2 THR 29 -6.283 5.433 -4.710
182 HG22 THR 29 1HG2 THR 29 -6.642 7.024 -5.379
183 HG23 THR 29 2HG2 THR 29 -5.481 6.863 -4.061
184 H GLN 30 H GLN 30 -4.963 5.107 -3.281
185 HA GLN 30 HA GLN 30 -3.469 6.799 -1.708
186 HB2 GLN 30 1HB GLN 30 -5.263 4.492 -1.143
187 HB3 GLN 30 2HB GLN 30 -4.279 5.102 0.181
188 HG2 GLN 30 1HG GLN 30 -6.279 6.655 -1.444
189 HG3 GLN 30 2HG GLN 30 -6.442 6.141 0.235
190 HE21 GLN 30 1HE2 GLN 30 -5.162 8.474 -1.920
191 HE22 GLN 30 2HE2 GLN 30 -4.470 9.521 -0.734
192 H HIS 31 H HIS 31 -2.841 3.459 -2.539
193 HA HIS 31 HA HIS 31 -0.681 3.187 -0.641
194 HB2 HIS 31 1HB HIS 31 -1.637 1.122 -0.991
195 HB3 HIS 31 2HB HIS 31 -1.960 1.441 -2.693
196 HD1 HIS 31 HD1 HIS 31 0.694 0.193 -0.377
197 HD2 HIS 31 HD2 HIS 31 0.116 0.778 -4.449
198 HE1 HIS 31 HE1 HIS 31 2.593 -1.010 -1.505
199 H TRP 32 H TRP 32 -0.986 3.465 -4.170
200 HA TRP 32 HA TRP 32 1.579 3.222 -5.010
201 HB2 TRP 32 1HB TRP 32 -0.641 5.029 -5.883
202 HB3 TRP 32 2HB TRP 32 0.950 5.213 -6.615
203 HD1 TRP 32 HD1 TRP 32 -0.999 1.963 -5.760
204 HE1 TRP 32 HE1 TRP 32 -1.145 0.546 -7.904
205 HE3 TRP 32 HE3 TRP 32 1.292 5.174 -9.012
206 HZ2 TRP 32 HZ2 TRP 32 -0.389 0.762 -10.615
207 HZ3 TRP 32 HZ3 TRP 32 1.542 4.493 -11.363
208 HH2 TRP 32 HH2 TRP 32 0.718 2.332 -12.146
209 H ILE 33 H ILE 33 0.198 5.958 -3.288
210 HA ILE 33 HA ILE 33 2.240 7.819 -3.628
211 HB ILE 33 HB ILE 33 0.493 7.397 -1.201
212 HG12 ILE 33 1HG1 ILE 33 0.155 9.409 -3.425
213 HG13 ILE 33 2HG1 ILE 33 -0.616 7.827 -3.453
214 HG21 ILE 33 1HG2 ILE 33 1.781 8.928 -0.226
215 HG22 ILE 33 2HG2 ILE 33 2.657 9.245 -1.723
216 HG23 ILE 33 3HG2 ILE 33 1.142 10.085 -1.393
217 HD11 ILE 33 3HD1 ILE 33 -2.069 9.669 -2.648
218 HD12 ILE 33 1HD1 ILE 33 -1.887 8.342 -1.502
219 HD13 ILE 33 2HD1 ILE 33 -0.997 9.845 -1.258
220 H THR 34 H THR 34 1.894 5.250 -1.213
221 HA THR 34 HA THR 34 3.982 5.792 0.474
222 HB THR 34 HB THR 34 4.129 3.418 0.959
223 HG1 THR 34 HG1 THR 34 3.124 1.904 -0.384
224 HG21 THR 34 3HG2 THR 34 1.306 4.293 0.342
225 HG22 THR 34 1HG2 THR 34 2.187 4.569 1.844
226 HG23 THR 34 2HG2 THR 34 1.739 2.930 1.373
227 H HIS 35 H HIS 35 4.146 4.892 -2.840
228 HA HIS 35 HA HIS 35 6.861 3.938 -2.760
229 HB2 HIS 35 1HB HIS 35 5.040 4.678 -5.056
230 HB3 HIS 35 2HB HIS 35 6.666 4.033 -5.263
231 HD1 HIS 35 HD1 HIS 35 6.698 1.742 -3.296
232 HD2 HIS 35 HD2 HIS 35 3.430 2.605 -5.711
233 HE1 HIS 35 HE1 HIS 35 5.402 -0.406 -3.465
234 H THR 36 H THR 36 5.219 6.960 -3.442
235 HA THR 36 HA THR 36 7.689 8.249 -4.281
236 HB THR 36 HB THR 36 5.518 8.777 -5.402
237 HG1 THR 36 HG1 THR 36 7.458 10.321 -4.931
238 HG21 THR 36 3HG2 THR 36 4.416 10.696 -3.734
239 HG22 THR 36 1HG2 THR 36 4.757 9.343 -2.656
240 HG23 THR 36 2HG2 THR 36 3.744 9.103 -4.079
241 H ARG 37 H ARG 37 5.845 7.790 -1.430
242 HA ARG 37 HA ARG 37 6.771 10.142 -0.058
243 HB2 ARG 37 1HB ARG 37 5.119 7.765 0.628
244 HB3 ARG 37 2HB ARG 37 5.907 8.612 1.953
245 HG2 ARG 37 1HG ARG 37 4.860 10.731 0.908
246 HG3 ARG 37 2HG ARG 37 3.801 9.591 0.075
247 HD2 ARG 37 1HD ARG 37 4.205 9.651 3.061
248 HD3 ARG 37 2HD ARG 37 2.892 10.482 2.228
249 HE ARG 37 HE ARG 37 2.617 7.957 1.354
250 HH11 ARG 37 1HH1 ARG 37 2.995 9.304 4.542
251 HH12 ARG 37 2HH1 ARG 37 2.080 8.056 5.320
252 HH21 ARG 37 1HH2 ARG 37 1.410 6.307 2.367
253 HH22 ARG 37 2HH2 ARG 37 1.180 6.351 4.082
254 H GLU 38 H GLU 38 7.662 6.730 -0.178
255 HA GLU 38 HA GLU 38 9.547 6.800 1.927
256 HB2 GLU 38 1HB GLU 38 8.463 4.766 0.748
257 HB3 GLU 38 2HB GLU 38 9.758 4.945 -0.427
258 HG2 GLU 38 1HG GLU 38 10.537 3.345 1.076
259 HG3 GLU 38 2HG GLU 38 11.354 4.834 1.548
260 H LYS 39 H LYS 39 11.633 7.393 1.999
261 HA LYS 39 HA LYS 39 12.786 9.199 0.348
262 HB2 LYS 39 1HB LYS 39 13.823 8.694 2.438
263 HB3 LYS 39 2HB LYS 39 14.109 7.024 1.967
264 HG2 LYS 39 1HG LYS 39 15.543 8.115 0.073
265 HG3 LYS 39 2HG LYS 39 15.567 9.497 1.172
266 HD2 LYS 39 1HD LYS 39 16.347 7.906 2.967
267 HD3 LYS 39 2HD LYS 39 16.553 6.698 1.696
268 HE2 LYS 39 1HE LYS 39 18.231 7.961 0.628
269 HE3 LYS 39 2HE LYS 39 17.834 9.413 1.546
270 HZ1 LYS 39 3HZ LYS 39 18.861 8.604 3.433
271 HZ2 LYS 39 1HZ LYS 39 19.888 8.047 2.209
272 HZ3 LYS 39 2HZ LYS 39 18.782 6.991 2.931
273 HA PRO 40 HA PRO 40 13.720 7.222 -3.473
274 HB2 PRO 40 1HB PRO 40 15.679 8.885 -4.347
275 HB3 PRO 40 2HB PRO 40 13.971 9.337 -4.334
276 HG2 PRO 40 1HG PRO 40 16.127 10.020 -2.373
277 HG3 PRO 40 2HG PRO 40 14.856 11.059 -3.045
278 HD2 PRO 40 1HD PRO 40 14.683 9.957 -0.578
279 HD3 PRO 40 2HD PRO 40 13.257 10.257 -1.591
280 H SER 41 H SER 41 14.625 5.247 -2.965
281 HA SER 41 HA SER 41 17.162 4.884 -1.789
282 HB2 SER 41 1HB SER 41 15.577 3.083 -1.703
283 HB3 SER 41 2HB SER 41 15.446 3.039 -3.461
284 HG SER 41 HG SER 41 17.288 1.979 -3.589
285 H GLY 42 H GLY 42 16.157 4.359 -5.177
286 HA2 GLY 42 1HA GLY 42 18.886 4.195 -6.070
287 HA3 GLY 42 2HA GLY 42 17.452 4.183 -7.086
288 HA PRO 43 HA PRO 43 19.754 8.386 -7.017
289 HB2 PRO 43 1HB PRO 43 21.282 8.113 -9.245
290 HB3 PRO 43 2HB PRO 43 21.856 7.687 -7.628
291 HG2 PRO 43 1HG PRO 43 20.782 5.911 -9.785
292 HG3 PRO 43 2HG PRO 43 22.176 5.659 -8.719
293 HD2 PRO 43 1HD PRO 43 19.775 4.487 -8.280
294 HD3 PRO 43 2HD PRO 43 20.863 4.960 -6.959
295 H SER 44 H SER 44 18.471 9.888 -7.869
296 HA SER 44 HA SER 44 16.621 9.299 -9.955
297 HB2 SER 44 1HB SER 44 17.326 11.780 -8.409
298 HB3 SER 44 2HB SER 44 16.234 11.865 -9.791
299 HG SER 44 HG SER 44 14.791 11.342 -8.347
300 H SER 45 H SER 45 17.375 8.972 -11.956
301 HA SER 45 HA SER 45 19.102 11.057 -13.118
302 HB2 SER 45 1HB SER 45 19.287 8.062 -13.424
303 HB3 SER 45 2HB SER 45 20.016 9.168 -14.589
304 HG SER 45 HG SER 45 21.624 8.985 -13.204
305 H GLY 46 H GLY 46 16.741 8.492 -13.790
306 HA2 GLY 46 1HA GLY 46 16.220 9.016 -16.457
307 HA3 GLY 46 2HA GLY 46 15.034 8.388 -15.323