Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504657 | 2emk RC | 10205 | 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 -7.679 -21.599 -12.906
2 HA2 GLY 1 1HA GLY 1 -6.034 -23.222 -11.170
3 HA3 GLY 1 2HA GLY 1 -5.536 -23.248 -12.856
4 H SER 2 H SER 2 -5.409 -21.562 -9.910
5 HA SER 2 HA SER 2 -4.225 -19.734 -9.244
6 HB2 SER 2 1HB SER 2 -2.486 -20.661 -10.803
7 HB3 SER 2 2HB SER 2 -3.144 -19.623 -12.068
8 HG SER 2 HG SER 2 -1.307 -18.950 -10.422
9 H SER 3 H SER 3 -6.863 -19.398 -10.057
10 HA SER 3 HA SER 3 -7.022 -17.061 -11.755
11 HB2 SER 3 1HB SER 3 -8.784 -18.816 -11.790
12 HB3 SER 3 2HB SER 3 -9.196 -18.400 -10.127
13 HG SER 3 HG SER 3 -10.570 -17.215 -11.328
14 H GLY 4 H GLY 4 -7.588 -17.830 -8.331
15 HA2 GLY 4 1HA GLY 4 -7.496 -16.496 -6.463
16 HA3 GLY 4 2HA GLY 4 -6.644 -15.312 -7.442
17 H SER 5 H SER 5 -7.643 -13.448 -6.947
18 HA SER 5 HA SER 5 -9.349 -11.969 -6.488
19 HB2 SER 5 1HB SER 5 -10.663 -11.488 -8.447
20 HB3 SER 5 2HB SER 5 -9.065 -12.001 -8.987
21 HG SER 5 HG SER 5 -9.990 -14.112 -9.294
22 H SER 6 H SER 6 -9.785 -14.269 -5.026
23 HA SER 6 HA SER 6 -12.718 -14.521 -5.154
24 HB2 SER 6 1HB SER 6 -10.715 -16.650 -4.368
25 HB3 SER 6 2HB SER 6 -12.466 -16.816 -4.238
26 HG SER 6 HG SER 6 -11.880 -17.715 -6.170
27 H GLY 7 H GLY 7 -13.536 -13.389 -3.518
28 HA2 GLY 7 1HA GLY 7 -12.025 -13.017 -1.066
29 HA3 GLY 7 2HA GLY 7 -13.562 -12.267 -1.471
30 H THR 8 H THR 8 -12.696 -15.704 -1.421
31 HA THR 8 HA THR 8 -14.967 -16.762 -0.435
32 HB THR 8 HB THR 8 -13.573 -18.521 0.706
33 HG1 THR 8 HG1 THR 8 -11.219 -18.187 0.018
34 HG21 THR 8 3HG2 THR 8 -13.051 -17.697 -2.136
35 HG22 THR 8 1HG2 THR 8 -14.111 -18.971 -1.534
36 HG23 THR 8 2HG2 THR 8 -12.360 -19.171 -1.459
37 H GLY 9 H GLY 9 -12.378 -15.347 1.548
38 HA2 GLY 9 1HA GLY 9 -14.353 -14.919 3.676
39 HA3 GLY 9 2HA GLY 9 -12.879 -15.791 4.072
40 H GLU 10 H GLU 10 -10.819 -14.595 3.345
41 HA GLU 10 HA GLU 10 -10.358 -12.399 4.826
42 HB2 GLU 10 1HB GLU 10 -8.747 -13.744 3.313
43 HB3 GLU 10 2HB GLU 10 -9.142 -12.553 2.082
44 HG2 GLU 10 1HG GLU 10 -7.158 -11.805 3.081
45 HG3 GLU 10 2HG GLU 10 -8.437 -10.787 3.742
46 H LYS 11 H LYS 11 -10.524 -10.191 4.678
47 HA LYS 11 HA LYS 11 -12.689 -9.136 3.213
48 HB2 LYS 11 1HB LYS 11 -10.452 -7.855 4.771
49 HB3 LYS 11 2HB LYS 11 -11.684 -6.898 3.961
50 HG2 LYS 11 1HG LYS 11 -12.535 -9.069 5.811
51 HG3 LYS 11 2HG LYS 11 -11.928 -7.553 6.481
52 HD2 LYS 11 1HD LYS 11 -14.154 -7.050 6.326
53 HD3 LYS 11 2HD LYS 11 -13.615 -6.513 4.733
54 HE2 LYS 11 1HE LYS 11 -14.539 -8.346 3.662
55 HE3 LYS 11 2HE LYS 11 -14.542 -9.328 5.127
56 HZ1 LYS 11 3HZ LYS 11 -16.606 -8.691 5.546
57 HZ2 LYS 11 1HZ LYS 11 -16.641 -7.853 4.077
58 HZ3 LYS 11 2HZ LYS 11 -16.175 -7.056 5.494
59 HA PRO 12 HA PRO 12 -10.928 -8.118 -0.682
60 HB2 PRO 12 1HB PRO 12 -12.440 -5.964 -1.347
61 HB3 PRO 12 2HB PRO 12 -13.063 -7.618 -1.365
62 HG2 PRO 12 1HG PRO 12 -13.376 -5.498 0.725
63 HG3 PRO 12 2HG PRO 12 -14.586 -6.626 0.086
64 HD2 PRO 12 1HD PRO 12 -13.331 -7.022 2.452
65 HD3 PRO 12 2HD PRO 12 -13.849 -8.363 1.410
66 H TYR 13 H TYR 13 -10.444 -6.301 2.040
67 HA TYR 13 HA TYR 13 -8.834 -4.297 0.600
68 HB2 TYR 13 1HB TYR 13 -9.711 -4.031 3.466
69 HB3 TYR 13 2HB TYR 13 -9.170 -2.770 2.363
70 HD1 TYR 13 HD2 TYR 13 -10.730 -2.759 0.096
71 HD2 TYR 13 HD1 TYR 13 -11.944 -3.941 3.999
72 HE1 TYR 13 HE2 TYR 13 -13.067 -2.262 -0.487
73 HE2 TYR 13 HE1 TYR 13 -14.285 -3.448 3.427
74 HH TYR 13 HH TYR 13 -15.474 -1.891 1.719
75 H GLU 14 H GLU 14 -6.784 -4.945 0.524
76 HA GLU 14 HA GLU 14 -5.478 -5.715 3.026
77 HB2 GLU 14 1HB GLU 14 -6.163 -7.748 1.588
78 HB3 GLU 14 2HB GLU 14 -4.885 -7.230 0.497
79 HG2 GLU 14 1HG GLU 14 -3.266 -7.409 2.333
80 HG3 GLU 14 2HG GLU 14 -4.553 -7.978 3.393
81 H CYS 15 H CYS 15 -3.526 -4.806 3.289
82 HA CYS 15 HA CYS 15 -2.640 -2.792 1.526
83 HB2 CYS 15 1HB CYS 15 -2.214 -2.998 4.041
84 HB3 CYS 15 2HB CYS 15 -0.920 -4.115 3.619
85 H LYS 16 H LYS 16 -1.418 -2.885 -0.236
86 HA LYS 16 HA LYS 16 -0.196 -5.432 -0.970
87 HB2 LYS 16 1HB LYS 16 -1.064 -2.994 -2.446
88 HB3 LYS 16 2HB LYS 16 0.244 -3.945 -3.136
89 HG2 LYS 16 1HG LYS 16 -1.102 -5.724 -3.598
90 HG3 LYS 16 2HG LYS 16 -2.210 -5.373 -2.270
91 HD2 LYS 16 1HD LYS 16 -3.517 -4.755 -4.042
92 HD3 LYS 16 2HD LYS 16 -2.707 -3.220 -3.719
93 HE2 LYS 16 1HE LYS 16 -0.993 -3.877 -5.428
94 HE3 LYS 16 2HE LYS 16 -2.016 -5.255 -5.832
95 HZ1 LYS 16 3HZ LYS 16 -2.733 -2.385 -6.078
96 HZ2 LYS 16 1HZ LYS 16 -3.809 -3.664 -6.341
97 HZ3 LYS 16 2HZ LYS 16 -2.461 -3.473 -7.344
98 H GLU 17 H GLU 17 0.923 -3.541 1.070
99 HA GLU 17 HA GLU 17 3.542 -3.078 -0.202
100 HB2 GLU 17 1HB GLU 17 2.652 -1.661 2.290
101 HB3 GLU 17 2HB GLU 17 3.890 -1.190 1.135
102 HG2 GLU 17 1HG GLU 17 1.023 -1.321 0.307
103 HG3 GLU 17 2HG GLU 17 1.644 0.079 1.180
104 H CYS 18 H CYS 18 1.850 -4.221 2.666
105 HA CYS 18 HA CYS 18 4.311 -5.626 3.468
106 HB2 CYS 18 1HB CYS 18 3.662 -5.328 5.822
107 HB3 CYS 18 2HB CYS 18 3.901 -3.779 5.019
108 H GLY 19 H GLY 19 0.770 -5.581 3.563
109 HA2 GLY 19 1HA GLY 19 -0.365 -7.629 2.837
110 HA3 GLY 19 2HA GLY 19 0.847 -8.530 3.737
111 H LYS 20 H LYS 20 -1.686 -6.076 4.209
112 HA LYS 20 HA LYS 20 -2.492 -7.500 6.643
113 HB2 LYS 20 1HB LYS 20 -1.030 -5.363 7.014
114 HB3 LYS 20 2HB LYS 20 -2.510 -4.502 6.609
115 HG2 LYS 20 1HG LYS 20 -3.576 -5.145 8.522
116 HG3 LYS 20 2HG LYS 20 -2.639 -6.633 8.676
117 HD2 LYS 20 1HD LYS 20 -1.245 -4.011 8.948
118 HD3 LYS 20 2HD LYS 20 -2.223 -4.603 10.292
119 HE2 LYS 20 1HE LYS 20 0.009 -6.131 8.957
120 HE3 LYS 20 2HE LYS 20 0.152 -5.250 10.477
121 HZ1 LYS 20 3HZ LYS 20 -1.601 -7.589 9.955
122 HZ2 LYS 20 1HZ LYS 20 -1.583 -6.704 11.397
123 HZ3 LYS 20 2HZ LYS 20 -0.210 -7.567 10.917
124 H ALA 21 H ALA 21 -4.590 -7.949 6.614
125 HA ALA 21 HA ALA 21 -6.311 -6.520 4.721
126 HB1 ALA 21 3HB ALA 21 -7.666 -8.394 4.633
127 HB2 ALA 21 1HB ALA 21 -6.061 -9.096 4.836
128 HB3 ALA 21 2HB ALA 21 -7.150 -8.970 6.218
129 H PHE 22 H PHE 22 -7.950 -5.247 5.350
130 HA PHE 22 HA PHE 22 -8.599 -5.169 8.224
131 HB2 PHE 22 1HB PHE 22 -8.600 -2.833 6.302
132 HB3 PHE 22 2HB PHE 22 -8.960 -2.766 8.024
133 HD1 PHE 22 HD1 PHE 22 -6.317 -3.196 5.517
134 HD2 PHE 22 HD2 PHE 22 -7.214 -2.805 9.660
135 HE1 PHE 22 HE1 PHE 22 -3.935 -2.802 5.992
136 HE2 PHE 22 HE2 PHE 22 -4.834 -2.409 10.141
137 HZ PHE 22 HZ PHE 22 -3.191 -2.406 8.306
138 H SER 23 H SER 23 -10.769 -4.536 8.768
139 HA SER 23 HA SER 23 -12.692 -5.451 6.760
140 HB2 SER 23 1HB SER 23 -12.626 -6.470 9.075
141 HB3 SER 23 2HB SER 23 -13.206 -4.924 9.693
142 HG SER 23 HG SER 23 -15.099 -5.733 9.266
143 H GLN 24 H GLN 24 -11.421 -2.718 6.915
144 HA GLN 24 HA GLN 24 -13.847 -1.232 6.419
145 HB2 GLN 24 1HB GLN 24 -12.149 -0.762 8.818
146 HB3 GLN 24 2HB GLN 24 -12.775 0.648 7.974
147 HG2 GLN 24 1HG GLN 24 -15.058 -0.507 8.157
148 HG3 GLN 24 2HG GLN 24 -14.282 -1.530 9.365
149 HE21 GLN 24 1HE2 GLN 24 -16.455 0.396 9.655
150 HE22 GLN 24 2HE2 GLN 24 -15.928 1.535 10.841
151 H THR 25 H THR 25 -13.486 -0.169 4.600
152 HA THR 25 HA THR 25 -11.093 0.047 3.264
153 HB THR 25 HB THR 25 -12.135 1.919 1.969
154 HG1 THR 25 HG1 THR 25 -13.941 2.839 2.668
155 HG21 THR 25 3HG2 THR 25 -14.225 0.518 1.330
156 HG22 THR 25 1HG2 THR 25 -13.581 -0.657 2.475
157 HG23 THR 25 2HG2 THR 25 -12.622 -0.172 1.077
158 H THR 26 H THR 26 -12.539 2.351 5.525
159 HA THR 26 HA THR 26 -10.671 4.424 5.183
160 HB THR 26 HB THR 26 -12.617 5.060 6.311
161 HG1 THR 26 HG1 THR 26 -10.961 4.748 8.572
162 HG21 THR 26 3HG2 THR 26 -13.641 3.138 7.080
163 HG22 THR 26 1HG2 THR 26 -13.133 3.885 8.593
164 HG23 THR 26 2HG2 THR 26 -12.190 2.565 7.901
165 H HIS 27 H HIS 27 -10.607 1.499 7.097
166 HA HIS 27 HA HIS 27 -8.451 2.201 8.791
167 HB2 HIS 27 1HB HIS 27 -10.139 0.235 8.977
168 HB3 HIS 27 2HB HIS 27 -9.011 -0.624 7.933
169 HD1 HIS 27 HD1 HIS 27 -9.524 -1.628 10.775
170 HD2 HIS 27 HD2 HIS 27 -6.457 0.987 9.765
171 HE1 HIS 27 HE1 HIS 27 -7.796 -1.888 12.584
172 H LEU 28 H LEU 28 -8.606 0.488 5.691
173 HA LEU 28 HA LEU 28 -5.886 -0.165 5.496
174 HB2 LEU 28 1HB LEU 28 -7.564 -1.172 4.070
175 HB3 LEU 28 2HB LEU 28 -7.907 0.390 3.329
176 HG LEU 28 HG LEU 28 -5.679 0.404 2.322
177 HD11 LEU 28 1HD1 LEU 28 -4.537 -0.903 4.068
178 HD12 LEU 28 2HD1 LEU 28 -4.228 -1.525 2.448
179 HD13 LEU 28 3HD1 LEU 28 -5.371 -2.351 3.506
180 HD21 LEU 28 3HD2 LEU 28 -6.291 -2.156 1.290
181 HD22 LEU 28 1HD2 LEU 28 -6.680 -0.578 0.605
182 HD23 LEU 28 2HD2 LEU 28 -7.818 -1.370 1.695
183 H ILE 29 H ILE 29 -7.678 2.667 4.327
184 HA ILE 29 HA ILE 29 -5.525 3.938 3.048
185 HB ILE 29 HB ILE 29 -7.941 5.204 4.345
186 HG12 ILE 29 1HG1 ILE 29 -7.490 4.466 1.448
187 HG13 ILE 29 2HG1 ILE 29 -8.403 3.476 2.582
188 HG21 ILE 29 1HG2 ILE 29 -5.989 6.719 3.864
189 HG22 ILE 29 2HG2 ILE 29 -6.217 6.340 2.158
190 HG23 ILE 29 3HG2 ILE 29 -7.499 7.148 3.060
191 HD11 ILE 29 3HD1 ILE 29 -10.030 5.233 2.860
192 HD12 ILE 29 1HD1 ILE 29 -9.088 6.305 1.823
193 HD13 ILE 29 2HD1 ILE 29 -9.835 4.857 1.148
194 H GLN 30 H GLN 30 -6.622 3.975 6.390
195 HA GLN 30 HA GLN 30 -4.938 6.093 7.251
196 HB2 GLN 30 1HB GLN 30 -6.457 3.922 8.663
197 HB3 GLN 30 2HB GLN 30 -5.367 4.977 9.552
198 HG2 GLN 30 1HG GLN 30 -6.662 6.916 8.574
199 HG3 GLN 30 2HG GLN 30 -7.849 5.726 8.043
200 HE21 GLN 30 1HE2 GLN 30 -7.535 7.958 10.219
201 HE22 GLN 30 2HE2 GLN 30 -8.277 7.230 11.598
202 H HIS 31 H HIS 31 -4.646 2.556 7.412
203 HA HIS 31 HA HIS 31 -2.276 2.338 8.804
204 HB2 HIS 31 1HB HIS 31 -3.440 0.338 8.317
205 HB3 HIS 31 2HB HIS 31 -3.437 0.662 6.586
206 HD1 HIS 31 HD1 HIS 31 -1.159 -0.468 9.365
207 HD2 HIS 31 HD2 HIS 31 -1.229 -0.263 5.216
208 HE1 HIS 31 HE1 HIS 31 0.842 -1.781 8.594
209 H GLN 32 H GLN 32 -2.734 2.852 5.326
210 HA GLN 32 HA GLN 32 -0.198 2.633 4.364
211 HB2 GLN 32 1HB GLN 32 -2.217 4.775 3.677
212 HB3 GLN 32 2HB GLN 32 -0.794 4.397 2.715
213 HG2 GLN 32 1HG GLN 32 -2.765 2.253 3.361
214 HG3 GLN 32 2HG GLN 32 -3.101 3.406 2.070
215 HE21 GLN 32 1HE2 GLN 32 -2.871 0.729 1.545
216 HE22 GLN 32 2HE2 GLN 32 -1.434 0.436 0.632
217 H ARG 33 H ARG 33 -1.474 5.180 6.389
218 HA ARG 33 HA ARG 33 0.343 7.205 6.072
219 HB2 ARG 33 1HB ARG 33 -1.021 6.165 8.548
220 HB3 ARG 33 2HB ARG 33 0.015 7.585 8.589
221 HG2 ARG 33 1HG ARG 33 -1.431 8.828 7.246
222 HG3 ARG 33 2HG ARG 33 -2.277 7.390 6.672
223 HD2 ARG 33 1HD ARG 33 -3.342 7.075 8.772
224 HD3 ARG 33 2HD ARG 33 -2.308 8.275 9.548
225 HE ARG 33 HE ARG 33 -4.727 8.772 8.159
226 HH11 ARG 33 1HH1 ARG 33 -1.556 10.094 8.722
227 HH12 ARG 33 2HH1 ARG 33 -2.051 11.734 8.468
228 HH21 ARG 33 1HH2 ARG 33 -5.392 10.928 7.821
229 HH22 ARG 33 2HH2 ARG 33 -4.234 12.207 7.956
230 H VAL 34 H VAL 34 0.720 4.278 8.037
231 HA VAL 34 HA VAL 34 3.208 4.905 9.169
232 HB VAL 34 HB VAL 34 3.453 2.542 9.642
233 HG11 VAL 34 1HG1 VAL 34 0.698 3.691 9.948
234 HG12 VAL 34 2HG1 VAL 34 1.124 2.117 10.623
235 HG13 VAL 34 3HG1 VAL 34 1.985 3.565 11.147
236 HG21 VAL 34 3HG2 VAL 34 1.800 2.272 7.277
237 HG22 VAL 34 1HG2 VAL 34 2.847 1.091 8.063
238 HG23 VAL 34 2HG2 VAL 34 1.188 1.309 8.622
239 H HIS 35 H HIS 35 2.337 3.732 6.015
240 HA HIS 35 HA HIS 35 5.036 2.941 5.335
241 HB2 HIS 35 1HB HIS 35 2.446 3.055 3.800
242 HB3 HIS 35 2HB HIS 35 3.979 2.702 3.007
243 HD1 HIS 35 HD1 HIS 35 5.321 0.639 4.467
244 HD2 HIS 35 HD2 HIS 35 1.169 0.774 4.432
245 HE1 HIS 35 HE1 HIS 35 4.568 -1.683 5.072
246 H THR 36 H THR 36 2.997 5.732 5.030
247 HA THR 36 HA THR 36 5.044 7.053 3.372
248 HB THR 36 HB THR 36 2.890 7.052 2.268
249 HG1 THR 36 HG1 THR 36 3.430 9.005 1.686
250 HG21 THR 36 3HG2 THR 36 1.888 8.247 4.847
251 HG22 THR 36 1HG2 THR 36 1.359 6.757 4.067
252 HG23 THR 36 2HG2 THR 36 0.983 8.317 3.335
253 H GLY 37 H GLY 37 5.821 6.920 5.896
254 HA2 GLY 37 1HA GLY 37 6.062 9.617 6.691
255 HA3 GLY 37 2HA GLY 37 4.871 8.822 7.711
256 H GLU 38 H GLU 38 8.000 7.810 6.333
257 HA GLU 38 HA GLU 38 8.908 7.247 9.077
258 HB2 GLU 38 1HB GLU 38 9.096 5.520 6.624
259 HB3 GLU 38 2HB GLU 38 10.238 5.337 7.948
260 HG2 GLU 38 1HG GLU 38 8.362 4.923 9.481
261 HG3 GLU 38 2HG GLU 38 7.248 5.041 8.120
262 H LYS 39 H LYS 39 11.339 6.989 9.175
263 HA LYS 39 HA LYS 39 12.572 9.070 7.501
264 HB2 LYS 39 1HB LYS 39 12.991 8.190 10.327
265 HB3 LYS 39 2HB LYS 39 14.342 8.898 9.451
266 HG2 LYS 39 1HG LYS 39 13.374 10.692 10.574
267 HG3 LYS 39 2HG LYS 39 12.760 10.831 8.925
268 HD2 LYS 39 1HD LYS 39 10.648 9.946 9.543
269 HD3 LYS 39 2HD LYS 39 11.249 9.428 11.119
270 HE2 LYS 39 1HE LYS 39 10.051 11.366 11.600
271 HE3 LYS 39 2HE LYS 39 11.721 11.923 11.525
272 HZ1 LYS 39 3HZ LYS 39 10.860 13.457 10.156
273 HZ2 LYS 39 1HZ LYS 39 9.487 12.539 9.790
274 HZ3 LYS 39 2HZ LYS 39 10.945 12.237 8.988
275 HA PRO 40 HA PRO 40 14.536 5.159 6.048
276 HB2 PRO 40 1HB PRO 40 14.700 5.953 3.457
277 HB3 PRO 40 2HB PRO 40 13.256 5.198 4.140
278 HG2 PRO 40 1HG PRO 40 13.830 8.096 3.657
279 HG3 PRO 40 2HG PRO 40 12.340 7.184 3.351
280 HD2 PRO 40 1HD PRO 40 12.660 8.765 5.526
281 HD3 PRO 40 2HD PRO 40 11.674 7.289 5.556
282 H SER 41 H SER 41 16.629 5.102 6.566
283 HA SER 41 HA SER 41 18.440 7.041 6.903
284 HB2 SER 41 1HB SER 41 18.686 4.431 7.039
285 HB3 SER 41 2HB SER 41 19.392 4.608 5.433
286 HG SER 41 HG SER 41 20.655 6.379 6.651
287 H GLY 42 H GLY 42 19.371 8.591 5.739
288 HA2 GLY 42 1HA GLY 42 20.257 9.726 3.940
289 HA3 GLY 42 2HA GLY 42 20.202 8.223 3.032
290 HA PRO 43 HA PRO 43 15.821 10.184 2.498
291 HB2 PRO 43 1HB PRO 43 15.435 12.653 3.558
292 HB3 PRO 43 2HB PRO 43 15.116 11.163 4.454
293 HG2 PRO 43 1HG PRO 43 17.504 12.966 4.565
294 HG3 PRO 43 2HG PRO 43 16.627 12.187 5.895
295 HD2 PRO 43 1HD PRO 43 18.960 11.217 4.922
296 HD3 PRO 43 2HD PRO 43 17.689 10.166 5.578
297 H SER 44 H SER 44 16.362 10.427 0.360
298 HA SER 44 HA SER 44 17.818 12.795 -0.502
299 HB2 SER 44 1HB SER 44 17.702 11.746 -2.753
300 HB3 SER 44 2HB SER 44 18.420 10.680 -1.545
301 HG SER 44 HG SER 44 16.790 9.713 -2.955
302 H SER 45 H SER 45 14.691 11.240 -1.203
303 HA SER 45 HA SER 45 13.423 13.831 -1.423
304 HB2 SER 45 1HB SER 45 12.493 13.324 -3.698
305 HB3 SER 45 2HB SER 45 14.231 13.621 -3.687
306 HG SER 45 HG SER 45 13.879 11.800 -4.902
307 H GLY 46 H GLY 46 11.015 13.454 -2.123
308 HA2 GLY 46 1HA GLY 46 9.127 11.968 -2.061
309 HA3 GLY 46 2HA GLY 46 10.044 10.911 -0.999
Start of MODEL 2
1 H1 GLY 1 H GLY 1 1.046 -27.693 5.623
2 HA2 GLY 1 1HA GLY 1 0.115 -25.545 7.396
3 HA3 GLY 1 2HA GLY 1 -0.056 -25.581 5.648
4 H SER 2 H SER 2 -2.285 -24.893 6.449
5 HA SER 2 HA SER 2 -4.030 -27.162 6.198
6 HB2 SER 2 1HB SER 2 -3.950 -25.594 8.781
7 HB3 SER 2 2HB SER 2 -5.319 -26.596 8.300
8 HG SER 2 HG SER 2 -3.893 -28.382 8.250
9 H SER 3 H SER 3 -6.130 -26.595 5.596
10 HA SER 3 HA SER 3 -6.850 -23.780 5.480
11 HB2 SER 3 1HB SER 3 -6.248 -25.461 3.070
12 HB3 SER 3 2HB SER 3 -7.472 -24.196 2.972
13 HG SER 3 HG SER 3 -4.742 -23.992 3.098
14 H GLY 4 H GLY 4 -9.011 -23.452 5.606
15 HA2 GLY 4 1HA GLY 4 -10.864 -25.592 4.937
16 HA3 GLY 4 2HA GLY 4 -10.782 -25.164 6.640
17 H SER 5 H SER 5 -13.155 -24.937 5.328
18 HA SER 5 HA SER 5 -13.478 -22.016 5.133
19 HB2 SER 5 1HB SER 5 -15.017 -24.067 3.523
20 HB3 SER 5 2HB SER 5 -15.171 -22.314 3.414
21 HG SER 5 HG SER 5 -13.016 -22.242 2.672
22 H SER 6 H SER 6 -14.004 -22.084 7.390
23 HA SER 6 HA SER 6 -16.694 -23.166 7.923
24 HB2 SER 6 1HB SER 6 -14.819 -24.245 9.215
25 HB3 SER 6 2HB SER 6 -14.532 -22.684 9.983
26 HG SER 6 HG SER 6 -16.137 -23.086 11.264
27 H GLY 7 H GLY 7 -16.397 -20.674 6.742
28 HA2 GLY 7 1HA GLY 7 -18.006 -18.910 7.576
29 HA3 GLY 7 2HA GLY 7 -16.942 -18.816 8.972
30 H THR 8 H THR 8 -17.765 -17.001 6.585
31 HA THR 8 HA THR 8 -15.536 -16.426 5.025
32 HB THR 8 HB THR 8 -16.494 -14.170 4.727
33 HG1 THR 8 HG1 THR 8 -18.001 -13.414 6.058
34 HG21 THR 8 3HG2 THR 8 -17.646 -16.614 4.035
35 HG22 THR 8 1HG2 THR 8 -17.964 -15.047 3.293
36 HG23 THR 8 2HG2 THR 8 -18.990 -15.625 4.606
37 H GLY 9 H GLY 9 -13.986 -14.701 5.160
38 HA2 GLY 9 1HA GLY 9 -13.570 -13.357 7.679
39 HA3 GLY 9 2HA GLY 9 -12.400 -14.630 7.360
40 H GLU 10 H GLU 10 -11.909 -14.405 4.707
41 HA GLU 10 HA GLU 10 -10.015 -12.422 4.517
42 HB2 GLU 10 1HB GLU 10 -11.592 -13.733 2.297
43 HB3 GLU 10 2HB GLU 10 -10.156 -12.751 2.040
44 HG2 GLU 10 1HG GLU 10 -9.365 -14.931 1.984
45 HG3 GLU 10 2HG GLU 10 -8.979 -14.382 3.613
46 H LYS 11 H LYS 11 -9.908 -10.418 3.424
47 HA LYS 11 HA LYS 11 -12.504 -9.102 2.978
48 HB2 LYS 11 1HB LYS 11 -10.095 -8.022 4.444
49 HB3 LYS 11 2HB LYS 11 -11.415 -7.005 3.880
50 HG2 LYS 11 1HG LYS 11 -12.867 -7.769 5.458
51 HG3 LYS 11 2HG LYS 11 -12.096 -9.353 5.561
52 HD2 LYS 11 1HD LYS 11 -10.586 -6.950 6.476
53 HD3 LYS 11 2HD LYS 11 -11.858 -7.604 7.510
54 HE2 LYS 11 1HE LYS 11 -10.771 -9.696 7.683
55 HE3 LYS 11 2HE LYS 11 -9.665 -9.313 6.364
56 HZ1 LYS 11 3HZ LYS 11 -9.403 -7.368 8.375
57 HZ2 LYS 11 1HZ LYS 11 -8.249 -8.474 7.822
58 HZ3 LYS 11 2HZ LYS 11 -9.284 -8.896 9.091
59 HA PRO 12 HA PRO 12 -10.849 -7.949 -0.935
60 HB2 PRO 12 1HB PRO 12 -12.435 -5.809 -1.463
61 HB3 PRO 12 2HB PRO 12 -13.014 -7.477 -1.544
62 HG2 PRO 12 1HG PRO 12 -13.331 -5.467 0.651
63 HG3 PRO 12 2HG PRO 12 -14.526 -6.597 -0.012
64 HD2 PRO 12 1HD PRO 12 -13.202 -7.068 2.303
65 HD3 PRO 12 2HD PRO 12 -13.710 -8.373 1.211
66 H TYR 13 H TYR 13 -10.339 -6.254 1.857
67 HA TYR 13 HA TYR 13 -8.776 -4.177 0.468
68 HB2 TYR 13 1HB TYR 13 -9.703 -3.947 3.321
69 HB3 TYR 13 2HB TYR 13 -9.176 -2.670 2.231
70 HD1 TYR 13 HD2 TYR 13 -10.730 -2.879 -0.115
71 HD2 TYR 13 HD1 TYR 13 -11.921 -3.710 3.884
72 HE1 TYR 13 HE2 TYR 13 -13.070 -2.430 -0.725
73 HE2 TYR 13 HE1 TYR 13 -14.265 -3.264 3.285
74 HH TYR 13 HH TYR 13 -15.529 -3.381 0.596
75 H GLU 14 H GLU 14 -6.686 -4.649 0.484
76 HA GLU 14 HA GLU 14 -5.463 -5.564 2.982
77 HB2 GLU 14 1HB GLU 14 -5.963 -7.451 1.233
78 HB3 GLU 14 2HB GLU 14 -4.560 -6.791 0.404
79 HG2 GLU 14 1HG GLU 14 -3.162 -7.222 2.305
80 HG3 GLU 14 2HG GLU 14 -4.553 -7.728 3.262
81 H CYS 15 H CYS 15 -3.385 -4.846 3.326
82 HA CYS 15 HA CYS 15 -2.581 -2.549 1.808
83 HB2 CYS 15 1HB CYS 15 -2.300 -2.665 4.258
84 HB3 CYS 15 2HB CYS 15 -1.149 -3.982 4.056
85 H LYS 16 H LYS 16 -1.315 -2.525 0.082
86 HA LYS 16 HA LYS 16 0.076 -4.946 -0.720
87 HB2 LYS 16 1HB LYS 16 -1.314 -3.438 -2.265
88 HB3 LYS 16 2HB LYS 16 0.052 -2.332 -2.216
89 HG2 LYS 16 1HG LYS 16 1.417 -3.747 -3.408
90 HG3 LYS 16 2HG LYS 16 0.507 -5.187 -2.945
91 HD2 LYS 16 1HD LYS 16 -0.150 -4.946 -5.134
92 HD3 LYS 16 2HD LYS 16 -1.413 -4.029 -4.308
93 HE2 LYS 16 1HE LYS 16 -0.390 -1.962 -4.852
94 HE3 LYS 16 2HE LYS 16 1.095 -2.754 -5.374
95 HZ1 LYS 16 3HZ LYS 16 -0.992 -2.008 -6.974
96 HZ2 LYS 16 1HZ LYS 16 -1.175 -3.684 -6.829
97 HZ3 LYS 16 2HZ LYS 16 0.278 -3.038 -7.405
98 H GLU 17 H GLU 17 0.958 -3.131 1.544
99 HA GLU 17 HA GLU 17 3.670 -2.551 0.549
100 HB2 GLU 17 1HB GLU 17 2.524 -1.384 3.068
101 HB3 GLU 17 2HB GLU 17 3.865 -0.797 2.095
102 HG2 GLU 17 1HG GLU 17 1.136 -0.885 0.908
103 HG3 GLU 17 2HG GLU 17 1.549 0.401 2.040
104 H CYS 18 H CYS 18 1.769 -4.085 3.057
105 HA CYS 18 HA CYS 18 4.193 -5.488 3.953
106 HB2 CYS 18 1HB CYS 18 3.417 -5.398 6.265
107 HB3 CYS 18 2HB CYS 18 3.603 -3.770 5.620
108 H GLY 19 H GLY 19 0.651 -5.482 3.820
109 HA2 GLY 19 1HA GLY 19 -0.396 -7.464 2.814
110 HA3 GLY 19 2HA GLY 19 0.761 -8.433 3.713
111 H LYS 20 H LYS 20 -1.476 -5.786 4.555
112 HA LYS 20 HA LYS 20 -2.590 -7.540 6.646
113 HB2 LYS 20 1HB LYS 20 -1.088 -5.574 7.395
114 HB3 LYS 20 2HB LYS 20 -2.437 -4.549 6.925
115 HG2 LYS 20 1HG LYS 20 -3.881 -5.657 8.515
116 HG3 LYS 20 2HG LYS 20 -2.589 -6.782 8.940
117 HD2 LYS 20 1HD LYS 20 -2.051 -3.865 9.177
118 HD3 LYS 20 2HD LYS 20 -3.087 -4.624 10.389
119 HE2 LYS 20 1HE LYS 20 -1.294 -6.316 10.757
120 HE3 LYS 20 2HE LYS 20 -0.262 -5.393 9.666
121 HZ1 LYS 20 3HZ LYS 20 -1.501 -4.140 12.038
122 HZ2 LYS 20 1HZ LYS 20 -0.163 -3.616 11.145
123 HZ3 LYS 20 2HZ LYS 20 -0.031 -4.970 12.149
124 H ALA 21 H ALA 21 -4.725 -7.823 6.581
125 HA ALA 21 HA ALA 21 -6.278 -6.216 4.689
126 HB1 ALA 21 3HB ALA 21 -7.866 -7.986 4.655
127 HB2 ALA 21 1HB ALA 21 -6.266 -8.720 4.539
128 HB3 ALA 21 2HB ALA 21 -7.141 -8.747 6.071
129 H PHE 22 H PHE 22 -8.017 -5.003 5.271
130 HA PHE 22 HA PHE 22 -8.688 -4.909 8.138
131 HB2 PHE 22 1HB PHE 22 -8.610 -2.537 6.264
132 HB3 PHE 22 2HB PHE 22 -8.945 -2.503 7.992
133 HD1 PHE 22 HD1 PHE 22 -6.323 -3.198 5.480
134 HD2 PHE 22 HD2 PHE 22 -7.205 -2.381 9.563
135 HE1 PHE 22 HE1 PHE 22 -3.925 -2.885 5.932
136 HE2 PHE 22 HE2 PHE 22 -4.808 -2.066 10.021
137 HZ PHE 22 HZ PHE 22 -3.165 -2.317 8.205
138 H SER 23 H SER 23 -10.782 -5.104 8.621
139 HA SER 23 HA SER 23 -12.698 -5.917 6.816
140 HB2 SER 23 1HB SER 23 -14.348 -5.504 8.566
141 HB3 SER 23 2HB SER 23 -12.881 -6.180 9.274
142 HG SER 23 HG SER 23 -13.502 -3.412 9.183
143 H GLN 24 H GLN 24 -12.064 -2.645 8.013
144 HA GLN 24 HA GLN 24 -13.974 -1.602 6.035
145 HB2 GLN 24 1HB GLN 24 -12.937 -0.515 8.636
146 HB3 GLN 24 2HB GLN 24 -13.636 0.557 7.430
147 HG2 GLN 24 1HG GLN 24 -15.744 -0.248 7.726
148 HG3 GLN 24 2HG GLN 24 -15.185 -1.845 8.219
149 HE21 GLN 24 1HE2 GLN 24 -16.587 0.942 9.266
150 HE22 GLN 24 2HE2 GLN 24 -16.250 0.816 10.956
151 H THR 25 H THR 25 -13.376 0.080 4.649
152 HA THR 25 HA THR 25 -10.759 -0.037 3.627
153 HB THR 25 HB THR 25 -11.432 2.016 2.313
154 HG1 THR 25 HG1 THR 25 -13.661 2.598 2.503
155 HG21 THR 25 3HG2 THR 25 -13.153 0.823 0.998
156 HG22 THR 25 1HG2 THR 25 -13.296 -0.361 2.296
157 HG23 THR 25 2HG2 THR 25 -11.781 -0.206 1.405
158 H THR 26 H THR 26 -12.398 2.563 5.433
159 HA THR 26 HA THR 26 -10.443 4.444 5.581
160 HB THR 26 HB THR 26 -12.652 4.721 6.624
161 HG1 THR 26 HG1 THR 26 -10.275 5.260 8.008
162 HG21 THR 26 3HG2 THR 26 -11.549 2.752 8.614
163 HG22 THR 26 1HG2 THR 26 -13.058 2.663 7.707
164 HG23 THR 26 2HG2 THR 26 -12.878 3.842 9.007
165 H HIS 27 H HIS 27 -10.574 1.407 7.338
166 HA HIS 27 HA HIS 27 -8.487 1.937 9.164
167 HB2 HIS 27 1HB HIS 27 -9.868 -0.509 8.164
168 HB3 HIS 27 2HB HIS 27 -8.336 -0.714 9.008
169 HD1 HIS 27 HD1 HIS 27 -9.990 -1.990 10.751
170 HD2 HIS 27 HD2 HIS 27 -10.308 2.147 10.543
171 HE1 HIS 27 HE1 HIS 27 -11.185 -1.301 12.854
172 H LEU 28 H LEU 28 -8.522 0.484 5.937
173 HA LEU 28 HA LEU 28 -5.731 -0.113 5.917
174 HB2 LEU 28 1HB LEU 28 -7.049 -1.419 4.492
175 HB3 LEU 28 2HB LEU 28 -7.871 -0.012 3.820
176 HG LEU 28 HG LEU 28 -5.701 0.608 2.718
177 HD11 LEU 28 1HD1 LEU 28 -4.070 -1.251 2.439
178 HD12 LEU 28 2HD1 LEU 28 -4.926 -2.130 3.705
179 HD13 LEU 28 3HD1 LEU 28 -4.141 -0.595 4.074
180 HD21 LEU 28 3HD2 LEU 28 -5.880 -1.263 1.010
181 HD22 LEU 28 1HD2 LEU 28 -7.353 -0.353 1.345
182 HD23 LEU 28 2HD2 LEU 28 -7.126 -1.953 2.051
183 H ILE 29 H ILE 29 -7.681 2.369 4.258
184 HA ILE 29 HA ILE 29 -5.726 3.757 2.951
185 HB ILE 29 HB ILE 29 -8.075 4.960 4.420
186 HG12 ILE 29 1HG1 ILE 29 -7.851 4.229 1.498
187 HG13 ILE 29 2HG1 ILE 29 -8.544 3.152 2.706
188 HG21 ILE 29 1HG2 ILE 29 -7.851 6.843 2.900
189 HG22 ILE 29 2HG2 ILE 29 -6.372 6.625 3.834
190 HG23 ILE 29 3HG2 ILE 29 -6.439 6.093 2.154
191 HD11 ILE 29 3HD1 ILE 29 -10.348 4.605 3.108
192 HD12 ILE 29 1HD1 ILE 29 -9.572 5.932 2.243
193 HD13 ILE 29 2HD1 ILE 29 -10.166 4.528 1.355
194 H GLN 30 H GLN 30 -6.660 4.110 6.354
195 HA GLN 30 HA GLN 30 -4.806 6.199 6.900
196 HB2 GLN 30 1HB GLN 30 -6.575 4.433 8.522
197 HB3 GLN 30 2HB GLN 30 -5.261 5.263 9.345
198 HG2 GLN 30 1HG GLN 30 -6.150 7.394 8.290
199 HG3 GLN 30 2HG GLN 30 -7.585 6.458 7.876
200 HE21 GLN 30 1HE2 GLN 30 -8.824 5.543 9.596
201 HE22 GLN 30 2HE2 GLN 30 -8.811 6.273 11.162
202 H HIS 31 H HIS 31 -4.764 2.691 7.371
203 HA HIS 31 HA HIS 31 -2.366 2.483 8.777
204 HB2 HIS 31 1HB HIS 31 -3.726 0.547 8.638
205 HB3 HIS 31 2HB HIS 31 -3.756 0.600 6.878
206 HD1 HIS 31 HD1 HIS 31 -1.572 -0.394 9.760
207 HD2 HIS 31 HD2 HIS 31 -1.594 -0.607 5.611
208 HE1 HIS 31 HE1 HIS 31 0.306 -1.954 9.157
209 H GLN 32 H GLN 32 -2.977 2.767 5.323
210 HA GLN 32 HA GLN 32 -0.430 2.144 4.366
211 HB2 GLN 32 1HB GLN 32 -2.590 3.959 3.308
212 HB3 GLN 32 2HB GLN 32 -1.089 3.683 2.434
213 HG2 GLN 32 1HG GLN 32 -1.564 1.359 2.203
214 HG3 GLN 32 2HG GLN 32 -2.951 1.482 3.284
215 HE21 GLN 32 1HE2 GLN 32 -3.170 0.383 0.773
216 HE22 GLN 32 2HE2 GLN 32 -4.130 1.416 -0.224
217 H ARG 33 H ARG 33 -1.418 4.739 6.287
218 HA ARG 33 HA ARG 33 0.350 6.755 5.363
219 HB2 ARG 33 1HB ARG 33 -0.932 6.349 8.070
220 HB3 ARG 33 2HB ARG 33 -0.066 7.800 7.585
221 HG2 ARG 33 1HG ARG 33 -2.571 6.727 6.304
222 HG3 ARG 33 2HG ARG 33 -2.469 8.104 7.403
223 HD2 ARG 33 1HD ARG 33 -0.893 9.162 5.748
224 HD3 ARG 33 2HD ARG 33 -1.310 7.860 4.635
225 HE ARG 33 HE ARG 33 -3.265 8.944 4.192
226 HH11 ARG 33 1HH1 ARG 33 -2.026 10.089 7.238
227 HH12 ARG 33 2HH1 ARG 33 -3.245 11.305 7.425
228 HH21 ARG 33 1HH2 ARG 33 -4.876 10.542 4.428
229 HH22 ARG 33 2HH2 ARG 33 -4.866 11.561 5.827
230 H VAL 34 H VAL 34 0.707 4.022 7.490
231 HA VAL 34 HA VAL 34 3.116 4.859 8.751
232 HB VAL 34 HB VAL 34 3.312 2.626 9.581
233 HG11 VAL 34 1HG1 VAL 34 0.687 3.946 9.562
234 HG12 VAL 34 2HG1 VAL 34 0.672 2.253 10.061
235 HG13 VAL 34 3HG1 VAL 34 1.684 3.418 10.917
236 HG21 VAL 34 3HG2 VAL 34 1.164 1.222 8.418
237 HG22 VAL 34 1HG2 VAL 34 2.083 1.935 7.093
238 HG23 VAL 34 2HG2 VAL 34 2.889 0.889 8.261
239 H HIS 35 H HIS 35 2.394 3.607 5.652
240 HA HIS 35 HA HIS 35 5.151 2.731 5.203
241 HB2 HIS 35 1HB HIS 35 2.665 2.480 3.501
242 HB3 HIS 35 2HB HIS 35 4.262 1.932 3.001
243 HD1 HIS 35 HD1 HIS 35 5.350 0.111 4.792
244 HD2 HIS 35 HD2 HIS 35 1.219 0.555 4.725
245 HE1 HIS 35 HE1 HIS 35 4.433 -1.965 5.876
246 H THR 36 H THR 36 3.055 5.375 4.635
247 HA THR 36 HA THR 36 4.723 6.436 2.478
248 HB THR 36 HB THR 36 2.118 6.510 2.525
249 HG1 THR 36 HG1 THR 36 2.244 8.305 1.205
250 HG21 THR 36 3HG2 THR 36 1.122 8.381 3.596
251 HG22 THR 36 1HG2 THR 36 2.691 9.050 4.042
252 HG23 THR 36 2HG2 THR 36 2.107 7.578 4.819
253 H GLY 37 H GLY 37 4.277 6.694 5.860
254 HA2 GLY 37 1HA GLY 37 4.931 9.331 6.412
255 HA3 GLY 37 2HA GLY 37 5.341 7.969 7.445
256 H GLU 38 H GLU 38 7.033 6.690 5.447
257 HA GLU 38 HA GLU 38 9.379 8.418 5.776
258 HB2 GLU 38 1HB GLU 38 9.491 6.146 6.735
259 HB3 GLU 38 2HB GLU 38 9.227 5.467 5.135
260 HG2 GLU 38 1HG GLU 38 11.323 6.197 4.362
261 HG3 GLU 38 2HG GLU 38 11.547 7.268 5.744
262 H LYS 39 H LYS 39 9.839 9.638 4.073
263 HA LYS 39 HA LYS 39 8.991 8.953 1.416
264 HB2 LYS 39 1HB LYS 39 10.526 11.233 2.623
265 HB3 LYS 39 2HB LYS 39 10.448 11.039 0.876
266 HG2 LYS 39 1HG LYS 39 8.160 11.431 0.808
267 HG3 LYS 39 2HG LYS 39 7.951 11.076 2.525
268 HD2 LYS 39 1HD LYS 39 8.993 13.124 3.155
269 HD3 LYS 39 2HD LYS 39 9.527 13.432 1.500
270 HE2 LYS 39 1HE LYS 39 6.640 13.275 2.356
271 HE3 LYS 39 2HE LYS 39 7.551 14.778 2.210
272 HZ1 LYS 39 3HZ LYS 39 7.491 12.966 -0.090
273 HZ2 LYS 39 1HZ LYS 39 7.573 14.656 -0.049
274 HZ3 LYS 39 2HZ LYS 39 6.102 13.873 0.243
275 HA PRO 40 HA PRO 40 12.545 6.712 0.104
276 HB2 PRO 40 1HB PRO 40 12.364 7.138 -2.571
277 HB3 PRO 40 2HB PRO 40 11.279 6.051 -1.696
278 HG2 PRO 40 1HG PRO 40 10.823 8.875 -2.579
279 HG3 PRO 40 2HG PRO 40 9.723 7.486 -2.660
280 HD2 PRO 40 1HD PRO 40 9.543 9.375 -0.729
281 HD3 PRO 40 2HD PRO 40 9.118 7.675 -0.445
282 H SER 41 H SER 41 12.164 10.091 -0.438
283 HA SER 41 HA SER 41 15.064 10.334 -0.873
284 HB2 SER 41 1HB SER 41 14.280 12.521 -2.168
285 HB3 SER 41 2HB SER 41 14.396 10.962 -2.984
286 HG SER 41 HG SER 41 12.395 12.025 -3.378
287 H GLY 42 H GLY 42 15.709 12.757 -0.510
288 HA2 GLY 42 1HA GLY 42 14.428 13.587 2.018
289 HA3 GLY 42 2HA GLY 42 16.132 13.809 1.652
290 HA PRO 43 HA PRO 43 13.650 17.021 -1.007
291 HB2 PRO 43 1HB PRO 43 11.071 17.420 -0.257
292 HB3 PRO 43 2HB PRO 43 11.543 16.237 -1.483
293 HG2 PRO 43 1HG PRO 43 10.905 15.814 1.411
294 HG3 PRO 43 2HG PRO 43 10.415 14.851 0.005
295 HD2 PRO 43 1HD PRO 43 12.454 14.122 1.632
296 HD3 PRO 43 2HD PRO 43 12.438 13.752 -0.105
297 H SER 44 H SER 44 12.322 16.784 2.298
298 HA SER 44 HA SER 44 13.740 19.183 3.076
299 HB2 SER 44 1HB SER 44 11.717 20.369 3.840
300 HB3 SER 44 2HB SER 44 11.699 20.122 2.094
301 HG SER 44 HG SER 44 10.448 18.307 3.858
302 H SER 45 H SER 45 12.811 19.764 5.452
303 HA SER 45 HA SER 45 13.765 17.972 7.221
304 HB2 SER 45 1HB SER 45 12.757 20.328 7.626
305 HB3 SER 45 2HB SER 45 11.250 19.463 7.930
306 HG SER 45 HG SER 45 12.205 18.414 9.633
307 H GLY 46 H GLY 46 13.313 15.957 7.804
308 HA2 GLY 46 1HA GLY 46 10.760 14.790 6.989
309 HA3 GLY 46 2HA GLY 46 12.185 13.907 7.518
Start of MODEL 3
1 H1 GLY 1 H GLY 1 2.246 -31.698 -6.721
2 HA2 GLY 1 1HA GLY 1 0.852 -30.733 -4.961
3 HA3 GLY 1 2HA GLY 1 2.142 -31.108 -3.829
4 H SER 2 H SER 2 0.764 -28.727 -5.737
5 HA SER 2 HA SER 2 3.222 -27.133 -5.855
6 HB2 SER 2 1HB SER 2 2.073 -25.696 -7.397
7 HB3 SER 2 2HB SER 2 1.747 -27.358 -7.891
8 HG SER 2 HG SER 2 -0.296 -27.070 -7.474
9 H SER 3 H SER 3 3.625 -26.007 -4.072
10 HA SER 3 HA SER 3 1.493 -25.129 -2.328
11 HB2 SER 3 1HB SER 3 3.324 -24.294 -0.894
12 HB3 SER 3 2HB SER 3 3.570 -25.980 -1.351
13 HG SER 3 HG SER 3 4.795 -24.786 -3.205
14 H GLY 4 H GLY 4 0.538 -23.203 -2.370
15 HA2 GLY 4 1HA GLY 4 1.949 -20.966 -3.675
16 HA3 GLY 4 2HA GLY 4 0.279 -21.330 -4.083
17 H SER 5 H SER 5 -1.344 -21.073 -2.435
18 HA SER 5 HA SER 5 -0.540 -19.132 -0.368
19 HB2 SER 5 1HB SER 5 -2.673 -18.049 -0.607
20 HB3 SER 5 2HB SER 5 -1.991 -18.234 -2.223
21 HG SER 5 HG SER 5 -4.165 -19.533 -1.041
22 H SER 6 H SER 6 -0.554 -20.042 1.572
23 HA SER 6 HA SER 6 -2.687 -21.978 2.200
24 HB2 SER 6 1HB SER 6 0.110 -21.844 3.355
25 HB3 SER 6 2HB SER 6 -1.134 -23.011 3.805
26 HG SER 6 HG SER 6 0.556 -23.540 2.091
27 H GLY 7 H GLY 7 -3.145 -19.250 2.469
28 HA2 GLY 7 1HA GLY 7 -4.444 -18.753 4.663
29 HA3 GLY 7 2HA GLY 7 -2.823 -18.704 5.338
30 H THR 8 H THR 8 -5.268 -16.919 3.881
31 HA THR 8 HA THR 8 -3.592 -14.548 3.866
32 HB THR 8 HB THR 8 -5.083 -15.430 1.386
33 HG1 THR 8 HG1 THR 8 -3.029 -16.387 1.586
34 HG21 THR 8 3HG2 THR 8 -3.786 -12.826 2.141
35 HG22 THR 8 1HG2 THR 8 -5.396 -13.105 1.478
36 HG23 THR 8 2HG2 THR 8 -3.973 -13.311 0.456
37 H GLY 9 H GLY 9 -4.745 -12.621 4.094
38 HA2 GLY 9 1HA GLY 9 -7.100 -12.688 5.548
39 HA3 GLY 9 2HA GLY 9 -6.508 -11.274 4.688
40 H GLU 10 H GLU 10 -9.127 -13.148 5.045
41 HA GLU 10 HA GLU 10 -9.935 -13.360 2.279
42 HB2 GLU 10 1HB GLU 10 -11.555 -13.788 4.796
43 HB3 GLU 10 2HB GLU 10 -12.024 -14.257 3.168
44 HG2 GLU 10 1HG GLU 10 -9.473 -15.306 4.274
45 HG3 GLU 10 2HG GLU 10 -10.995 -15.988 4.845
46 H LYS 11 H LYS 11 -9.537 -10.765 4.074
47 HA LYS 11 HA LYS 11 -12.070 -9.445 3.840
48 HB2 LYS 11 1HB LYS 11 -9.303 -8.368 4.409
49 HB3 LYS 11 2HB LYS 11 -10.779 -7.414 4.493
50 HG2 LYS 11 1HG LYS 11 -10.357 -8.002 6.701
51 HG3 LYS 11 2HG LYS 11 -11.587 -9.157 6.183
52 HD2 LYS 11 1HD LYS 11 -10.027 -10.902 5.998
53 HD3 LYS 11 2HD LYS 11 -8.655 -9.790 6.015
54 HE2 LYS 11 1HE LYS 11 -10.491 -9.949 8.371
55 HE3 LYS 11 2HE LYS 11 -9.236 -11.167 8.147
56 HZ1 LYS 11 3HZ LYS 11 -8.212 -8.532 7.800
57 HZ2 LYS 11 1HZ LYS 11 -7.694 -9.755 8.849
58 HZ3 LYS 11 2HZ LYS 11 -8.936 -8.707 9.319
59 HA PRO 12 HA PRO 12 -11.803 -8.078 -0.336
60 HB2 PRO 12 1HB PRO 12 -13.433 -5.913 -0.190
61 HB3 PRO 12 2HB PRO 12 -14.037 -7.574 -0.157
62 HG2 PRO 12 1HG PRO 12 -13.563 -5.686 2.117
63 HG3 PRO 12 2HG PRO 12 -14.931 -6.778 1.836
64 HD2 PRO 12 1HD PRO 12 -12.917 -7.375 3.545
65 HD3 PRO 12 2HD PRO 12 -13.786 -8.618 2.622
66 H TYR 13 H TYR 13 -10.321 -6.568 2.189
67 HA TYR 13 HA TYR 13 -9.022 -4.651 0.395
68 HB2 TYR 13 1HB TYR 13 -9.919 -3.943 3.195
69 HB3 TYR 13 2HB TYR 13 -9.091 -2.885 2.058
70 HD1 TYR 13 HD2 TYR 13 -10.313 -2.377 -0.160
71 HD2 TYR 13 HD1 TYR 13 -12.248 -3.981 3.273
72 HE1 TYR 13 HE2 TYR 13 -12.481 -1.609 -1.031
73 HE2 TYR 13 HE1 TYR 13 -14.422 -3.219 2.411
74 HH TYR 13 HH TYR 13 -14.666 -1.171 -0.407
75 H GLU 14 H GLU 14 -6.865 -4.639 0.574
76 HA GLU 14 HA GLU 14 -5.532 -5.345 3.029
77 HB2 GLU 14 1HB GLU 14 -6.185 -7.506 1.648
78 HB3 GLU 14 2HB GLU 14 -4.765 -7.063 0.710
79 HG2 GLU 14 1HG GLU 14 -3.323 -7.394 2.492
80 HG3 GLU 14 2HG GLU 14 -4.612 -7.266 3.687
81 H CYS 15 H CYS 15 -3.354 -4.759 3.054
82 HA CYS 15 HA CYS 15 -2.631 -2.774 1.095
83 HB2 CYS 15 1HB CYS 15 -2.159 -2.374 3.456
84 HB3 CYS 15 2HB CYS 15 -1.143 -3.811 3.516
85 H LYS 16 H LYS 16 -1.562 -3.173 -0.714
86 HA LYS 16 HA LYS 16 -0.226 -5.728 -1.080
87 HB2 LYS 16 1HB LYS 16 -0.541 -3.484 -3.077
88 HB3 LYS 16 2HB LYS 16 -0.129 -5.160 -3.417
89 HG2 LYS 16 1HG LYS 16 -2.333 -5.191 -3.962
90 HG3 LYS 16 2HG LYS 16 -2.454 -5.603 -2.250
91 HD2 LYS 16 1HD LYS 16 -3.189 -3.475 -1.663
92 HD3 LYS 16 2HD LYS 16 -2.554 -2.744 -3.139
93 HE2 LYS 16 1HE LYS 16 -4.805 -4.742 -3.140
94 HE3 LYS 16 2HE LYS 16 -5.070 -3.004 -3.001
95 HZ1 LYS 16 3HZ LYS 16 -5.078 -4.196 -5.317
96 HZ2 LYS 16 1HZ LYS 16 -3.404 -3.979 -5.203
97 HZ3 LYS 16 2HZ LYS 16 -4.436 -2.641 -5.144
98 H GLU 17 H GLU 17 0.958 -3.813 0.741
99 HA GLU 17 HA GLU 17 3.517 -3.379 -0.653
100 HB2 GLU 17 1HB GLU 17 2.610 -1.657 1.637
101 HB3 GLU 17 2HB GLU 17 3.864 -1.334 0.448
102 HG2 GLU 17 1HG GLU 17 1.071 -1.630 -0.509
103 HG3 GLU 17 2HG GLU 17 1.513 -0.153 0.346
104 H CYS 18 H CYS 18 1.854 -4.284 2.292
105 HA CYS 18 HA CYS 18 4.344 -5.517 3.250
106 HB2 CYS 18 1HB CYS 18 3.838 -4.876 5.536
107 HB3 CYS 18 2HB CYS 18 3.909 -3.437 4.525
108 H GLY 19 H GLY 19 0.809 -5.441 3.406
109 HA2 GLY 19 1HA GLY 19 -0.350 -7.560 2.992
110 HA3 GLY 19 2HA GLY 19 0.879 -8.339 3.977
111 H LYS 20 H LYS 20 -1.530 -5.724 4.230
112 HA LYS 20 HA LYS 20 -2.318 -6.837 6.835
113 HB2 LYS 20 1HB LYS 20 -0.845 -4.635 6.792
114 HB3 LYS 20 2HB LYS 20 -2.393 -3.879 6.438
115 HG2 LYS 20 1HG LYS 20 -2.416 -3.724 8.700
116 HG3 LYS 20 2HG LYS 20 -3.159 -5.315 8.523
117 HD2 LYS 20 1HD LYS 20 -0.195 -5.169 8.707
118 HD3 LYS 20 2HD LYS 20 -1.132 -4.890 10.178
119 HE2 LYS 20 1HE LYS 20 -1.181 -7.327 8.405
120 HE3 LYS 20 2HE LYS 20 -0.584 -7.220 10.060
121 HZ1 LYS 20 3HZ LYS 20 -2.605 -7.804 10.713
122 HZ2 LYS 20 1HZ LYS 20 -3.224 -7.691 9.142
123 HZ3 LYS 20 2HZ LYS 20 -3.191 -6.324 10.137
124 H ALA 21 H ALA 21 -4.386 -7.388 6.790
125 HA ALA 21 HA ALA 21 -6.167 -6.133 4.836
126 HB1 ALA 21 3HB ALA 21 -6.418 -8.402 4.602
127 HB2 ALA 21 1HB ALA 21 -6.187 -8.716 6.322
128 HB3 ALA 21 2HB ALA 21 -7.713 -8.046 5.744
129 H PHE 22 H PHE 22 -7.957 -4.980 5.378
130 HA PHE 22 HA PHE 22 -8.508 -4.610 8.247
131 HB2 PHE 22 1HB PHE 22 -8.571 -2.450 6.129
132 HB3 PHE 22 2HB PHE 22 -8.939 -2.239 7.838
133 HD1 PHE 22 HD1 PHE 22 -6.247 -3.021 5.436
134 HD2 PHE 22 HD2 PHE 22 -7.230 -1.901 9.424
135 HE1 PHE 22 HE1 PHE 22 -3.877 -2.531 5.880
136 HE2 PHE 22 HE2 PHE 22 -4.862 -1.409 9.873
137 HZ PHE 22 HZ PHE 22 -3.181 -1.723 8.100
138 H SER 23 H SER 23 -10.569 -4.861 8.832
139 HA SER 23 HA SER 23 -12.503 -5.955 7.216
140 HB2 SER 23 1HB SER 23 -14.129 -5.336 8.964
141 HB3 SER 23 2HB SER 23 -12.642 -5.974 9.664
142 HG SER 23 HG SER 23 -13.783 -3.552 9.998
143 H GLN 24 H GLN 24 -11.942 -2.542 7.936
144 HA GLN 24 HA GLN 24 -13.969 -1.839 5.920
145 HB2 GLN 24 1HB GLN 24 -12.935 -0.358 8.327
146 HB3 GLN 24 2HB GLN 24 -13.792 0.470 7.034
147 HG2 GLN 24 1HG GLN 24 -15.783 -0.681 7.460
148 HG3 GLN 24 2HG GLN 24 -14.967 -1.905 8.431
149 HE21 GLN 24 1HE2 GLN 24 -16.906 0.726 8.577
150 HE22 GLN 24 2HE2 GLN 24 -16.586 1.240 10.195
151 H THR 25 H THR 25 -13.498 -0.138 4.436
152 HA THR 25 HA THR 25 -10.918 -0.293 3.304
153 HB THR 25 HB THR 25 -12.962 1.864 2.760
154 HG1 THR 25 HG1 THR 25 -13.856 -0.276 2.573
155 HG21 THR 25 3HG2 THR 25 -10.417 1.603 1.803
156 HG22 THR 25 1HG2 THR 25 -11.730 2.428 0.964
157 HG23 THR 25 2HG2 THR 25 -11.353 0.749 0.577
158 H THR 26 H THR 26 -12.555 2.392 4.983
159 HA THR 26 HA THR 26 -10.598 4.299 4.915
160 HB THR 26 HB THR 26 -12.795 4.701 5.920
161 HG1 THR 26 HG1 THR 26 -10.885 5.194 7.952
162 HG21 THR 26 3HG2 THR 26 -13.500 3.819 7.957
163 HG22 THR 26 1HG2 THR 26 -11.866 3.368 8.440
164 HG23 THR 26 2HG2 THR 26 -12.702 2.446 7.191
165 H HIS 27 H HIS 27 -10.832 1.558 7.140
166 HA HIS 27 HA HIS 27 -8.755 2.203 8.871
167 HB2 HIS 27 1HB HIS 27 -10.054 -0.338 8.010
168 HB3 HIS 27 2HB HIS 27 -8.536 -0.451 8.897
169 HD1 HIS 27 HD1 HIS 27 -8.984 -0.857 11.283
170 HD2 HIS 27 HD2 HIS 27 -11.823 1.668 9.599
171 HE1 HIS 27 HE1 HIS 27 -10.547 -0.257 13.159
172 H LEU 28 H LEU 28 -8.657 0.490 5.771
173 HA LEU 28 HA LEU 28 -5.889 -0.096 5.840
174 HB2 LEU 28 1HB LEU 28 -7.257 -1.356 4.378
175 HB3 LEU 28 2HB LEU 28 -7.890 0.097 3.606
176 HG LEU 28 HG LEU 28 -5.626 0.496 2.645
177 HD11 LEU 28 1HD1 LEU 28 -3.849 -0.759 3.136
178 HD12 LEU 28 2HD1 LEU 28 -4.763 -2.262 3.013
179 HD13 LEU 28 3HD1 LEU 28 -4.790 -1.333 4.513
180 HD21 LEU 28 3HD2 LEU 28 -6.642 -0.444 0.906
181 HD22 LEU 28 1HD2 LEU 28 -7.535 -1.552 1.948
182 HD23 LEU 28 2HD2 LEU 28 -5.916 -1.977 1.393
183 H ILE 29 H ILE 29 -7.696 2.418 4.070
184 HA ILE 29 HA ILE 29 -5.645 3.749 2.853
185 HB ILE 29 HB ILE 29 -8.088 4.943 4.163
186 HG12 ILE 29 1HG1 ILE 29 -7.543 4.379 1.245
187 HG13 ILE 29 2HG1 ILE 29 -8.385 3.255 2.306
188 HG21 ILE 29 1HG2 ILE 29 -7.688 6.880 2.662
189 HG22 ILE 29 2HG2 ILE 29 -6.460 6.690 3.912
190 HG23 ILE 29 3HG2 ILE 29 -6.117 6.192 2.255
191 HD11 ILE 29 3HD1 ILE 29 -9.273 5.901 1.262
192 HD12 ILE 29 1HD1 ILE 29 -10.118 4.353 1.272
193 HD13 ILE 29 2HD1 ILE 29 -9.946 5.273 2.767
194 H GLN 30 H GLN 30 -6.659 4.016 6.225
195 HA GLN 30 HA GLN 30 -4.871 6.138 6.872
196 HB2 GLN 30 1HB GLN 30 -6.260 4.134 8.657
197 HB3 GLN 30 2HB GLN 30 -5.412 5.567 9.221
198 HG2 GLN 30 1HG GLN 30 -7.773 5.632 7.358
199 HG3 GLN 30 2HG GLN 30 -7.885 5.796 9.110
200 HE21 GLN 30 1HE2 GLN 30 -8.933 7.838 8.225
201 HE22 GLN 30 2HE2 GLN 30 -7.900 9.213 8.059
202 H HIS 31 H HIS 31 -4.735 2.619 7.167
203 HA HIS 31 HA HIS 31 -2.447 2.312 8.672
204 HB2 HIS 31 1HB HIS 31 -3.459 0.295 8.220
205 HB3 HIS 31 2HB HIS 31 -3.747 0.695 6.529
206 HD1 HIS 31 HD1 HIS 31 -1.197 -0.773 8.822
207 HD2 HIS 31 HD2 HIS 31 -1.635 0.085 4.781
208 HE1 HIS 31 HE1 HIS 31 0.689 -1.975 7.671
209 H GLN 32 H GLN 32 -2.753 3.147 5.275
210 HA GLN 32 HA GLN 32 -0.188 2.728 4.363
211 HB2 GLN 32 1HB GLN 32 -2.060 5.007 3.703
212 HB3 GLN 32 2HB GLN 32 -0.618 4.603 2.781
213 HG2 GLN 32 1HG GLN 32 -2.837 2.636 3.236
214 HG3 GLN 32 2HG GLN 32 -2.832 3.768 1.885
215 HE21 GLN 32 1HE2 GLN 32 -2.621 0.782 2.090
216 HE22 GLN 32 2HE2 GLN 32 -1.223 0.381 1.159
217 H ARG 33 H ARG 33 -1.239 4.919 6.757
218 HA ARG 33 HA ARG 33 0.642 6.978 6.518
219 HB2 ARG 33 1HB ARG 33 -0.891 5.850 8.843
220 HB3 ARG 33 2HB ARG 33 0.282 7.138 9.078
221 HG2 ARG 33 1HG ARG 33 -0.957 8.536 7.483
222 HG3 ARG 33 2HG ARG 33 -2.150 7.247 7.306
223 HD2 ARG 33 1HD ARG 33 -2.355 7.414 9.879
224 HD3 ARG 33 2HD ARG 33 -1.576 8.983 9.678
225 HE ARG 33 HE ARG 33 -3.804 8.675 7.930
226 HH11 ARG 33 1HH1 ARG 33 -2.908 9.393 11.216
227 HH12 ARG 33 2HH1 ARG 33 -4.336 10.319 11.541
228 HH21 ARG 33 1HH2 ARG 33 -5.688 9.892 8.345
229 HH22 ARG 33 2HH2 ARG 33 -5.917 10.601 9.907
230 H VAL 34 H VAL 34 0.809 3.867 8.195
231 HA VAL 34 HA VAL 34 3.246 4.219 9.506
232 HB VAL 34 HB VAL 34 3.399 1.814 9.648
233 HG11 VAL 34 1HG1 VAL 34 0.893 1.350 10.266
234 HG12 VAL 34 2HG1 VAL 34 1.853 2.495 11.205
235 HG13 VAL 34 3HG1 VAL 34 0.723 3.082 9.985
236 HG21 VAL 34 3HG2 VAL 34 1.335 0.654 8.356
237 HG22 VAL 34 1HG2 VAL 34 1.738 1.939 7.217
238 HG23 VAL 34 2HG2 VAL 34 2.966 0.766 7.695
239 H HIS 35 H HIS 35 2.573 3.853 6.171
240 HA HIS 35 HA HIS 35 5.298 3.015 5.535
241 HB2 HIS 35 1HB HIS 35 2.874 3.464 3.784
242 HB3 HIS 35 2HB HIS 35 4.453 2.968 3.181
243 HD1 HIS 35 HD1 HIS 35 5.096 0.854 5.380
244 HD2 HIS 35 HD2 HIS 35 1.493 1.145 3.331
245 HE1 HIS 35 HE1 HIS 35 4.058 -1.432 5.517
246 H THR 36 H THR 36 3.487 5.851 5.899
247 HA THR 36 HA THR 36 5.434 7.384 4.303
248 HB THR 36 HB THR 36 2.960 7.532 3.670
249 HG1 THR 36 HG1 THR 36 4.398 9.900 4.353
250 HG21 THR 36 3HG2 THR 36 1.438 8.317 5.112
251 HG22 THR 36 1HG2 THR 36 2.493 9.629 5.635
252 HG23 THR 36 2HG2 THR 36 2.642 8.032 6.368
253 H GLY 37 H GLY 37 5.957 6.473 6.965
254 HA2 GLY 37 1HA GLY 37 6.161 9.092 8.308
255 HA3 GLY 37 2HA GLY 37 5.671 7.661 9.203
256 H GLU 38 H GLU 38 8.086 7.531 6.685
257 HA GLU 38 HA GLU 38 10.262 7.582 8.620
258 HB2 GLU 38 1HB GLU 38 9.659 5.263 8.706
259 HB3 GLU 38 2HB GLU 38 9.563 5.165 6.954
260 HG2 GLU 38 1HG GLU 38 11.583 4.166 7.368
261 HG3 GLU 38 2HG GLU 38 12.070 5.827 7.038
262 H LYS 39 H LYS 39 12.295 7.956 7.709
263 HA LYS 39 HA LYS 39 12.609 9.673 5.687
264 HB2 LYS 39 1HB LYS 39 14.403 7.461 6.619
265 HB3 LYS 39 2HB LYS 39 14.891 8.464 5.260
266 HG2 LYS 39 1HG LYS 39 14.775 10.448 6.631
267 HG3 LYS 39 2HG LYS 39 14.165 9.503 7.992
268 HD2 LYS 39 1HD LYS 39 16.788 8.831 6.705
269 HD3 LYS 39 2HD LYS 39 16.676 10.106 7.921
270 HE2 LYS 39 1HE LYS 39 15.911 8.588 9.571
271 HE3 LYS 39 2HE LYS 39 15.630 7.322 8.376
272 HZ1 LYS 39 3HZ LYS 39 18.022 7.979 9.783
273 HZ2 LYS 39 1HZ LYS 39 18.279 7.950 8.111
274 HZ3 LYS 39 2HZ LYS 39 17.646 6.590 8.893
275 HA PRO 40 HA PRO 40 11.468 7.776 1.883
276 HB2 PRO 40 1HB PRO 40 12.869 9.352 0.173
277 HB3 PRO 40 2HB PRO 40 11.413 9.901 1.012
278 HG2 PRO 40 1HG PRO 40 14.287 10.394 1.687
279 HG3 PRO 40 2HG PRO 40 12.922 11.525 1.714
280 HD2 PRO 40 1HD PRO 40 13.887 10.354 3.956
281 HD3 PRO 40 2HD PRO 40 12.172 10.769 3.758
282 H SER 41 H SER 41 14.927 8.529 2.273
283 HA SER 41 HA SER 41 16.795 7.506 1.419
284 HB2 SER 41 1HB SER 41 16.959 5.127 2.061
285 HB3 SER 41 2HB SER 41 16.273 6.104 3.359
286 HG SER 41 HG SER 41 15.220 3.976 2.189
287 H GLY 42 H GLY 42 14.937 8.083 -0.613
288 HA2 GLY 42 1HA GLY 42 15.829 6.204 -2.614
289 HA3 GLY 42 2HA GLY 42 14.095 6.159 -2.328
290 HA PRO 43 HA PRO 43 15.533 9.746 -5.185
291 HB2 PRO 43 1HB PRO 43 15.305 8.562 -7.618
292 HB3 PRO 43 2HB PRO 43 16.815 8.588 -6.700
293 HG2 PRO 43 1HG PRO 43 14.786 6.402 -6.946
294 HG3 PRO 43 2HG PRO 43 16.555 6.296 -6.988
295 HD2 PRO 43 1HD PRO 43 15.111 5.689 -4.779
296 HD3 PRO 43 2HD PRO 43 16.741 6.389 -4.693
297 H SER 44 H SER 44 13.200 7.176 -6.005
298 HA SER 44 HA SER 44 11.103 9.220 -6.161
299 HB2 SER 44 1HB SER 44 10.173 8.008 -8.177
300 HB3 SER 44 2HB SER 44 11.674 8.888 -8.463
301 HG SER 44 HG SER 44 11.302 6.462 -9.095
302 H SER 45 H SER 45 8.899 8.242 -6.142
303 HA SER 45 HA SER 45 8.674 5.551 -5.106
304 HB2 SER 45 1HB SER 45 8.196 7.979 -3.390
305 HB3 SER 45 2HB SER 45 7.363 6.457 -3.075
306 HG SER 45 HG SER 45 10.180 6.781 -3.228
307 H GLY 46 H GLY 46 6.367 4.961 -4.702
308 HA2 GLY 46 1HA GLY 46 4.033 5.917 -5.039
309 HA3 GLY 46 2HA GLY 46 4.648 6.418 -6.607
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -2.679 -15.867 -8.952
2 HA2 GLY 1 1HA GLY 1 0.072 -16.043 -8.187
3 HA3 GLY 1 2HA GLY 1 -0.852 -15.049 -7.070
4 H SER 2 H SER 2 -2.360 -15.999 -5.715
5 HA SER 2 HA SER 2 -2.960 -17.660 -4.250
6 HB2 SER 2 1HB SER 2 -3.675 -18.835 -6.942
7 HB3 SER 2 2HB SER 2 -4.189 -19.541 -5.411
8 HG SER 2 HG SER 2 -5.343 -17.589 -6.747
9 H SER 3 H SER 3 -0.222 -17.723 -4.678
10 HA SER 3 HA SER 3 0.522 -20.496 -5.156
11 HB2 SER 3 1HB SER 3 2.114 -17.985 -4.637
12 HB3 SER 3 2HB SER 3 2.863 -19.581 -4.691
13 HG SER 3 HG SER 3 2.877 -18.448 -6.723
14 H GLY 4 H GLY 4 0.967 -21.952 -3.613
15 HA2 GLY 4 1HA GLY 4 1.401 -22.852 -1.536
16 HA3 GLY 4 2HA GLY 4 1.827 -21.239 -0.983
17 H SER 5 H SER 5 -0.196 -23.708 -0.402
18 HA SER 5 HA SER 5 -2.762 -22.906 -0.210
19 HB2 SER 5 1HB SER 5 -2.946 -24.239 1.875
20 HB3 SER 5 2HB SER 5 -2.021 -25.072 0.626
21 HG SER 5 HG SER 5 -0.393 -25.099 1.938
22 H SER 6 H SER 6 -3.838 -21.253 0.630
23 HA SER 6 HA SER 6 -2.623 -19.774 2.871
24 HB2 SER 6 1HB SER 6 -2.373 -18.414 0.891
25 HB3 SER 6 2HB SER 6 -4.065 -18.655 0.457
26 HG SER 6 HG SER 6 -3.500 -17.562 2.963
27 H GLY 7 H GLY 7 -5.705 -20.133 1.100
28 HA2 GLY 7 1HA GLY 7 -7.329 -21.229 2.912
29 HA3 GLY 7 2HA GLY 7 -7.189 -19.596 3.544
30 H THR 8 H THR 8 -9.649 -20.218 3.023
31 HA THR 8 HA THR 8 -10.233 -19.092 0.361
32 HB THR 8 HB THR 8 -11.929 -21.000 1.983
33 HG1 THR 8 HG1 THR 8 -11.487 -22.182 -0.170
34 HG21 THR 8 3HG2 THR 8 -13.485 -19.696 0.842
35 HG22 THR 8 1HG2 THR 8 -13.212 -21.039 -0.267
36 HG23 THR 8 2HG2 THR 8 -12.430 -19.484 -0.555
37 H GLY 9 H GLY 9 -11.558 -17.351 0.225
38 HA2 GLY 9 1HA GLY 9 -13.048 -15.706 0.893
39 HA3 GLY 9 2HA GLY 9 -13.275 -16.571 2.405
40 H GLU 10 H GLU 10 -11.441 -14.138 0.731
41 HA GLU 10 HA GLU 10 -10.076 -13.455 3.250
42 HB2 GLU 10 1HB GLU 10 -9.315 -12.977 0.374
43 HB3 GLU 10 2HB GLU 10 -8.558 -12.102 1.697
44 HG2 GLU 10 1HG GLU 10 -8.523 -15.074 1.243
45 HG3 GLU 10 2HG GLU 10 -7.172 -13.954 1.071
46 H LYS 11 H LYS 11 -9.440 -10.942 3.087
47 HA LYS 11 HA LYS 11 -11.990 -9.565 3.116
48 HB2 LYS 11 1HB LYS 11 -9.237 -8.984 4.110
49 HB3 LYS 11 2HB LYS 11 -10.322 -7.630 3.826
50 HG2 LYS 11 1HG LYS 11 -10.489 -8.247 6.119
51 HG3 LYS 11 2HG LYS 11 -11.984 -8.733 5.315
52 HD2 LYS 11 1HD LYS 11 -11.537 -10.633 6.513
53 HD3 LYS 11 2HD LYS 11 -10.681 -11.007 5.015
54 HE2 LYS 11 1HE LYS 11 -9.234 -11.541 6.838
55 HE3 LYS 11 2HE LYS 11 -8.609 -10.087 6.062
56 HZ1 LYS 11 3HZ LYS 11 -9.273 -8.763 7.817
57 HZ2 LYS 11 1HZ LYS 11 -8.763 -10.167 8.611
58 HZ3 LYS 11 2HZ LYS 11 -10.413 -9.878 8.383
59 HA PRO 12 HA PRO 12 -11.597 -7.672 -0.839
60 HB2 PRO 12 1HB PRO 12 -13.178 -5.502 -0.439
61 HB3 PRO 12 2HB PRO 12 -13.822 -7.136 -0.637
62 HG2 PRO 12 1HG PRO 12 -13.353 -5.576 1.875
63 HG3 PRO 12 2HG PRO 12 -14.741 -6.586 1.427
64 HD2 PRO 12 1HD PRO 12 -12.780 -7.455 3.079
65 HD3 PRO 12 2HD PRO 12 -13.658 -8.542 1.984
66 H TYR 13 H TYR 13 -10.397 -6.318 2.021
67 HA TYR 13 HA TYR 13 -8.934 -4.281 0.480
68 HB2 TYR 13 1HB TYR 13 -9.804 -3.943 3.353
69 HB3 TYR 13 2HB TYR 13 -9.058 -2.735 2.312
70 HD1 TYR 13 HD2 TYR 13 -10.409 -2.159 0.129
71 HD2 TYR 13 HD1 TYR 13 -12.105 -3.935 3.604
72 HE1 TYR 13 HE2 TYR 13 -12.635 -1.375 -0.564
73 HE2 TYR 13 HE1 TYR 13 -14.336 -3.158 2.920
74 HH TYR 13 HH TYR 13 -15.044 -0.928 1.150
75 H GLU 14 H GLU 14 -6.807 -4.540 0.547
76 HA GLU 14 HA GLU 14 -5.544 -5.626 2.944
77 HB2 GLU 14 1HB GLU 14 -6.091 -7.424 1.104
78 HB3 GLU 14 2HB GLU 14 -4.682 -6.741 0.305
79 HG2 GLU 14 1HG GLU 14 -3.356 -7.194 2.339
80 HG3 GLU 14 2HG GLU 14 -4.769 -7.974 3.048
81 H CYS 15 H CYS 15 -3.379 -5.041 3.200
82 HA CYS 15 HA CYS 15 -2.619 -2.644 1.789
83 HB2 CYS 15 1HB CYS 15 -2.308 -3.046 4.279
84 HB3 CYS 15 2HB CYS 15 -0.990 -4.130 3.849
85 H LYS 16 H LYS 16 -1.297 -2.509 0.102
86 HA LYS 16 HA LYS 16 0.057 -4.928 -0.817
87 HB2 LYS 16 1HB LYS 16 -0.575 -2.292 -2.135
88 HB3 LYS 16 2HB LYS 16 0.477 -3.487 -2.882
89 HG2 LYS 16 1HG LYS 16 -2.290 -4.200 -1.983
90 HG3 LYS 16 2HG LYS 16 -1.993 -3.450 -3.553
91 HD2 LYS 16 1HD LYS 16 -0.509 -5.908 -2.673
92 HD3 LYS 16 2HD LYS 16 -2.092 -6.009 -3.449
93 HE2 LYS 16 1HE LYS 16 -1.139 -4.635 -5.327
94 HE3 LYS 16 2HE LYS 16 0.444 -4.839 -4.578
95 HZ1 LYS 16 3HZ LYS 16 -0.412 -7.366 -4.685
96 HZ2 LYS 16 1HZ LYS 16 0.525 -6.639 -5.892
97 HZ3 LYS 16 2HZ LYS 16 -1.154 -6.738 -6.070
98 H GLU 17 H GLU 17 1.019 -3.283 1.462
99 HA GLU 17 HA GLU 17 3.677 -2.608 0.381
100 HB2 GLU 17 1HB GLU 17 2.608 -1.393 2.908
101 HB3 GLU 17 2HB GLU 17 3.886 -0.805 1.853
102 HG2 GLU 17 1HG GLU 17 1.096 -0.973 0.821
103 HG3 GLU 17 2HG GLU 17 1.557 0.355 1.885
104 H CYS 18 H CYS 18 1.840 -4.056 2.998
105 HA CYS 18 HA CYS 18 4.291 -5.432 3.868
106 HB2 CYS 18 1HB CYS 18 3.542 -5.303 6.189
107 HB3 CYS 18 2HB CYS 18 3.705 -3.688 5.507
108 H GLY 19 H GLY 19 0.757 -5.474 3.711
109 HA2 GLY 19 1HA GLY 19 -0.294 -7.478 2.796
110 HA3 GLY 19 2HA GLY 19 0.901 -8.424 3.672
111 H LYS 20 H LYS 20 -1.507 -5.897 4.416
112 HA LYS 20 HA LYS 20 -2.501 -7.622 6.581
113 HB2 LYS 20 1HB LYS 20 -1.017 -5.745 7.413
114 HB3 LYS 20 2HB LYS 20 -2.235 -4.624 6.820
115 HG2 LYS 20 1HG LYS 20 -3.858 -5.458 8.352
116 HG3 LYS 20 2HG LYS 20 -2.804 -6.792 8.827
117 HD2 LYS 20 1HD LYS 20 -1.156 -4.895 9.504
118 HD3 LYS 20 2HD LYS 20 -2.601 -3.882 9.495
119 HE2 LYS 20 1HE LYS 20 -2.175 -6.391 11.115
120 HE3 LYS 20 2HE LYS 20 -2.179 -4.738 11.727
121 HZ1 LYS 20 3HZ LYS 20 -4.290 -5.815 12.141
122 HZ2 LYS 20 1HZ LYS 20 -4.488 -6.140 10.492
123 HZ3 LYS 20 2HZ LYS 20 -4.498 -4.542 11.046
124 H ALA 21 H ALA 21 -4.636 -7.915 6.551
125 HA ALA 21 HA ALA 21 -6.228 -6.296 4.699
126 HB1 ALA 21 3HB ALA 21 -6.866 -8.356 4.097
127 HB2 ALA 21 1HB ALA 21 -6.303 -9.075 5.606
128 HB3 ALA 21 2HB ALA 21 -7.886 -8.298 5.535
129 H PHE 22 H PHE 22 -7.961 -5.100 5.327
130 HA PHE 22 HA PHE 22 -8.541 -5.011 8.215
131 HB2 PHE 22 1HB PHE 22 -8.677 -2.680 6.294
132 HB3 PHE 22 2HB PHE 22 -8.912 -2.626 8.038
133 HD1 PHE 22 HD1 PHE 22 -6.347 -3.712 5.556
134 HD2 PHE 22 HD2 PHE 22 -7.156 -1.923 9.333
135 HE1 PHE 22 HE1 PHE 22 -3.945 -3.276 5.860
136 HE2 PHE 22 HE2 PHE 22 -4.755 -1.484 9.642
137 HZ PHE 22 HZ PHE 22 -3.146 -2.160 7.904
138 H SER 23 H SER 23 -10.679 -4.723 8.850
139 HA SER 23 HA SER 23 -12.639 -5.905 7.219
140 HB2 SER 23 1HB SER 23 -12.726 -5.903 9.694
141 HB3 SER 23 2HB SER 23 -13.050 -4.170 9.668
142 HG SER 23 HG SER 23 -15.027 -5.059 9.758
143 H GLN 24 H GLN 24 -11.924 -2.527 7.964
144 HA GLN 24 HA GLN 24 -13.961 -1.708 6.006
145 HB2 GLN 24 1HB GLN 24 -12.785 -0.359 8.411
146 HB3 GLN 24 2HB GLN 24 -13.483 0.606 7.117
147 HG2 GLN 24 1HG GLN 24 -15.557 -0.868 7.396
148 HG3 GLN 24 2HG GLN 24 -14.832 -1.361 8.926
149 HE21 GLN 24 1HE2 GLN 24 -16.476 -0.436 10.132
150 HE22 GLN 24 2HE2 GLN 24 -16.640 1.274 10.315
151 H THR 25 H THR 25 -13.447 -0.109 4.452
152 HA THR 25 HA THR 25 -10.846 -0.385 3.331
153 HB THR 25 HB THR 25 -12.731 -0.080 1.853
154 HG1 THR 25 HG1 THR 25 -11.907 1.869 0.718
155 HG21 THR 25 3HG2 THR 25 -14.158 1.259 3.310
156 HG22 THR 25 1HG2 THR 25 -13.955 2.049 1.747
157 HG23 THR 25 2HG2 THR 25 -13.058 2.628 3.151
158 H THR 26 H THR 26 -12.502 2.183 5.102
159 HA THR 26 HA THR 26 -10.586 4.202 4.765
160 HB THR 26 HB THR 26 -12.733 4.804 5.630
161 HG1 THR 26 HG1 THR 26 -10.635 5.756 6.569
162 HG21 THR 26 3HG2 THR 26 -13.297 2.709 6.748
163 HG22 THR 26 1HG2 THR 26 -13.517 4.074 7.842
164 HG23 THR 26 2HG2 THR 26 -12.098 3.038 7.998
165 H HIS 27 H HIS 27 -10.728 1.476 6.949
166 HA HIS 27 HA HIS 27 -8.763 2.336 8.786
167 HB2 HIS 27 1HB HIS 27 -10.459 0.323 8.866
168 HB3 HIS 27 2HB HIS 27 -9.121 -0.564 8.142
169 HD1 HIS 27 HD1 HIS 27 -10.177 -1.214 10.982
170 HD2 HIS 27 HD2 HIS 27 -6.955 1.280 10.173
171 HE1 HIS 27 HE1 HIS 27 -8.788 -1.210 13.078
172 H LEU 28 H LEU 28 -8.578 0.466 5.790
173 HA LEU 28 HA LEU 28 -5.804 -0.103 5.977
174 HB2 LEU 28 1HB LEU 28 -7.173 -1.464 4.580
175 HB3 LEU 28 2HB LEU 28 -7.719 -0.066 3.657
176 HG LEU 28 HG LEU 28 -5.430 0.188 2.756
177 HD11 LEU 28 1HD1 LEU 28 -4.418 -1.048 4.768
178 HD12 LEU 28 2HD1 LEU 28 -3.715 -1.326 3.175
179 HD13 LEU 28 3HD1 LEU 28 -4.807 -2.520 3.877
180 HD21 LEU 28 3HD2 LEU 28 -7.267 -1.177 1.664
181 HD22 LEU 28 1HD2 LEU 28 -6.436 -2.605 2.282
182 HD23 LEU 28 2HD2 LEU 28 -5.616 -1.528 1.151
183 H ILE 29 H ILE 29 -7.637 2.611 4.805
184 HA ILE 29 HA ILE 29 -5.573 3.800 3.252
185 HB ILE 29 HB ILE 29 -8.050 4.976 4.508
186 HG12 ILE 29 1HG1 ILE 29 -7.322 4.004 1.752
187 HG13 ILE 29 2HG1 ILE 29 -8.668 3.501 2.769
188 HG21 ILE 29 1HG2 ILE 29 -6.410 6.736 4.303
189 HG22 ILE 29 2HG2 ILE 29 -6.071 6.269 2.638
190 HG23 ILE 29 3HG2 ILE 29 -7.647 6.938 3.062
191 HD11 ILE 29 3HD1 ILE 29 -9.370 6.022 2.491
192 HD12 ILE 29 1HD1 ILE 29 -8.384 5.889 1.035
193 HD13 ILE 29 2HD1 ILE 29 -9.762 4.812 1.269
194 H GLN 30 H GLN 30 -6.650 4.188 6.600
195 HA GLN 30 HA GLN 30 -4.841 6.303 7.205
196 HB2 GLN 30 1HB GLN 30 -6.523 4.450 8.870
197 HB3 GLN 30 2HB GLN 30 -5.387 5.563 9.621
198 HG2 GLN 30 1HG GLN 30 -6.543 7.418 8.393
199 HG3 GLN 30 2HG GLN 30 -7.768 6.242 7.919
200 HE21 GLN 30 1HE2 GLN 30 -9.441 5.994 9.220
201 HE22 GLN 30 2HE2 GLN 30 -9.528 6.503 10.868
202 H HIS 31 H HIS 31 -4.708 2.804 7.419
203 HA HIS 31 HA HIS 31 -2.355 2.649 8.996
204 HB2 HIS 31 1HB HIS 31 -3.558 0.664 8.987
205 HB3 HIS 31 2HB HIS 31 -3.865 0.738 7.254
206 HD1 HIS 31 HD1 HIS 31 -1.241 -0.265 9.742
207 HD2 HIS 31 HD2 HIS 31 -1.936 -0.456 5.651
208 HE1 HIS 31 HE1 HIS 31 0.522 -1.810 8.833
209 H GLN 32 H GLN 32 -2.940 3.226 5.639
210 HA GLN 32 HA GLN 32 -0.481 2.402 4.562
211 HB2 GLN 32 1HB GLN 32 -2.515 4.446 3.707
212 HB3 GLN 32 2HB GLN 32 -1.033 4.194 2.794
213 HG2 GLN 32 1HG GLN 32 -2.701 1.827 3.449
214 HG3 GLN 32 2HG GLN 32 -3.262 2.933 2.196
215 HE21 GLN 32 1HE2 GLN 32 -2.674 0.344 1.583
216 HE22 GLN 32 2HE2 GLN 32 -1.243 0.277 0.618
217 H ARG 33 H ARG 33 -1.255 4.998 6.624
218 HA ARG 33 HA ARG 33 0.636 6.921 5.863
219 HB2 ARG 33 1HB ARG 33 -0.642 6.262 8.510
220 HB3 ARG 33 2HB ARG 33 0.506 7.583 8.336
221 HG2 ARG 33 1HG ARG 33 -0.966 8.577 6.612
222 HG3 ARG 33 2HG ARG 33 -2.138 7.296 6.928
223 HD2 ARG 33 1HD ARG 33 -2.202 8.029 9.305
224 HD3 ARG 33 2HD ARG 33 -1.160 9.383 8.870
225 HE ARG 33 HE ARG 33 -3.598 9.168 7.332
226 HH11 ARG 33 1HH1 ARG 33 -2.032 10.530 10.127
227 HH12 ARG 33 2HH1 ARG 33 -3.155 11.839 10.281
228 HH21 ARG 33 1HH2 ARG 33 -5.084 10.888 7.524
229 HH22 ARG 33 2HH2 ARG 33 -4.892 12.042 8.801
230 H VAL 34 H VAL 34 0.961 3.926 7.596
231 HA VAL 34 HA VAL 34 3.521 4.478 8.738
232 HB VAL 34 HB VAL 34 3.630 2.064 9.191
233 HG11 VAL 34 1HG1 VAL 34 1.225 2.000 10.336
234 HG12 VAL 34 2HG1 VAL 34 2.534 3.019 10.939
235 HG13 VAL 34 3HG1 VAL 34 1.275 3.712 9.916
236 HG21 VAL 34 3HG2 VAL 34 2.587 0.620 7.864
237 HG22 VAL 34 1HG2 VAL 34 1.037 1.226 8.448
238 HG23 VAL 34 2HG2 VAL 34 1.783 1.942 7.019
239 H HIS 35 H HIS 35 2.521 3.887 5.596
240 HA HIS 35 HA HIS 35 5.191 2.900 4.832
241 HB2 HIS 35 1HB HIS 35 2.562 2.569 3.371
242 HB3 HIS 35 2HB HIS 35 4.126 2.014 2.782
243 HD1 HIS 35 HD1 HIS 35 5.334 0.440 4.899
244 HD2 HIS 35 HD2 HIS 35 1.213 0.470 4.376
245 HE1 HIS 35 HE1 HIS 35 4.501 -1.662 6.000
246 H THR 36 H THR 36 4.188 5.687 5.285
247 HA THR 36 HA THR 36 4.925 6.759 2.643
248 HB THR 36 HB THR 36 3.389 8.572 2.848
249 HG1 THR 36 HG1 THR 36 3.129 7.637 5.496
250 HG21 THR 36 3HG2 THR 36 1.487 6.561 3.802
251 HG22 THR 36 1HG2 THR 36 2.567 5.977 2.537
252 HG23 THR 36 2HG2 THR 36 1.565 7.401 2.254
253 H GLY 37 H GLY 37 6.828 6.262 4.555
254 HA2 GLY 37 1HA GLY 37 7.652 8.997 5.227
255 HA3 GLY 37 2HA GLY 37 7.638 7.793 6.506
256 H GLU 38 H GLU 38 9.833 7.823 6.887
257 HA GLU 38 HA GLU 38 11.501 6.762 4.702
258 HB2 GLU 38 1HB GLU 38 12.201 8.788 6.824
259 HB3 GLU 38 2HB GLU 38 13.416 7.948 5.871
260 HG2 GLU 38 1HG GLU 38 12.041 8.843 3.847
261 HG3 GLU 38 2HG GLU 38 11.434 10.006 5.025
262 H LYS 39 H LYS 39 11.410 4.626 5.271
263 HA LYS 39 HA LYS 39 12.327 3.921 7.978
264 HB2 LYS 39 1HB LYS 39 10.596 2.463 5.993
265 HB3 LYS 39 2HB LYS 39 11.366 1.625 7.335
266 HG2 LYS 39 1HG LYS 39 10.226 3.194 8.889
267 HG3 LYS 39 2HG LYS 39 9.362 3.865 7.504
268 HD2 LYS 39 1HD LYS 39 7.861 2.303 8.342
269 HD3 LYS 39 2HD LYS 39 8.670 1.412 7.051
270 HE2 LYS 39 1HE LYS 39 9.874 0.108 8.526
271 HE3 LYS 39 2HE LYS 39 9.759 1.292 9.828
272 HZ1 LYS 39 3HZ LYS 39 7.490 -0.335 8.816
273 HZ2 LYS 39 1HZ LYS 39 7.454 0.733 10.129
274 HZ3 LYS 39 2HZ LYS 39 8.379 -0.681 10.213
275 HA PRO 40 HA PRO 40 16.053 2.205 6.413
276 HB2 PRO 40 1HB PRO 40 16.434 0.126 8.117
277 HB3 PRO 40 2HB PRO 40 16.651 1.814 8.597
278 HG2 PRO 40 1HG PRO 40 14.312 0.001 9.050
279 HG3 PRO 40 2HG PRO 40 15.075 1.144 10.171
280 HD2 PRO 40 1HD PRO 40 12.787 1.716 8.841
281 HD3 PRO 40 2HD PRO 40 13.982 2.959 9.262
282 H SER 41 H SER 41 13.122 0.574 6.206
283 HA SER 41 HA SER 41 14.313 -1.703 4.779
284 HB2 SER 41 1HB SER 41 12.709 -2.187 6.645
285 HB3 SER 41 2HB SER 41 11.449 -1.386 5.706
286 HG SER 41 HG SER 41 12.964 -3.610 4.802
287 H GLY 42 H GLY 42 13.594 -2.268 2.702
288 HA2 GLY 42 1HA GLY 42 12.562 0.013 1.178
289 HA3 GLY 42 2HA GLY 42 13.395 -1.383 0.511
290 HA PRO 43 HA PRO 43 8.823 -1.806 -0.270
291 HB2 PRO 43 1HB PRO 43 9.068 -2.302 -2.928
292 HB3 PRO 43 2HB PRO 43 8.946 -0.669 -2.263
293 HG2 PRO 43 1HG PRO 43 11.378 -2.186 -3.129
294 HG3 PRO 43 2HG PRO 43 10.956 -0.488 -3.419
295 HD2 PRO 43 1HD PRO 43 12.697 -1.248 -1.488
296 HD3 PRO 43 2HD PRO 43 11.644 0.172 -1.320
297 H SER 44 H SER 44 7.881 -3.693 -1.787
298 HA SER 44 HA SER 44 9.492 -6.098 -1.710
299 HB2 SER 44 1HB SER 44 7.158 -5.647 0.132
300 HB3 SER 44 2HB SER 44 7.572 -7.273 -0.413
301 HG SER 44 HG SER 44 9.822 -6.452 0.334
302 H SER 45 H SER 45 8.103 -8.026 -2.459
303 HA SER 45 HA SER 45 7.101 -7.473 -5.001
304 HB2 SER 45 1HB SER 45 7.936 -9.705 -4.108
305 HB3 SER 45 2HB SER 45 6.346 -9.903 -3.372
306 HG SER 45 HG SER 45 6.912 -10.667 -5.707
307 H GLY 46 H GLY 46 4.891 -7.949 -5.809
308 HA2 GLY 46 1HA GLY 46 2.945 -6.587 -4.108
309 HA3 GLY 46 2HA GLY 46 2.784 -6.895 -5.830
Start of MODEL 5
1 H1 GLY 1 H GLY 1 2.938 -28.552 -9.452
2 HA2 GLY 1 1HA GLY 1 0.348 -27.853 -9.524
3 HA3 GLY 1 2HA GLY 1 0.305 -29.241 -8.447
4 H SER 2 H SER 2 -0.548 -26.850 -7.505
5 HA SER 2 HA SER 2 1.461 -26.282 -5.465
6 HB2 SER 2 1HB SER 2 0.085 -24.088 -7.034
7 HB3 SER 2 2HB SER 2 1.201 -23.861 -5.688
8 HG SER 2 HG SER 2 2.846 -24.714 -6.943
9 H SER 3 H SER 3 0.594 -25.346 -3.541
10 HA SER 3 HA SER 3 -2.339 -25.500 -3.328
11 HB2 SER 3 1HB SER 3 -2.164 -26.613 -1.195
12 HB3 SER 3 2HB SER 3 -1.212 -27.525 -2.366
13 HG SER 3 HG SER 3 -0.413 -26.212 -0.109
14 H GLY 4 H GLY 4 0.649 -24.304 -1.820
15 HA2 GLY 4 1HA GLY 4 1.107 -22.278 -0.830
16 HA3 GLY 4 2HA GLY 4 -0.413 -21.686 -1.484
17 H SER 5 H SER 5 1.106 -21.768 1.265
18 HA SER 5 HA SER 5 -1.298 -22.421 2.841
19 HB2 SER 5 1HB SER 5 0.517 -24.027 3.277
20 HB3 SER 5 2HB SER 5 1.594 -22.696 3.701
21 HG SER 5 HG SER 5 0.063 -23.985 5.331
22 H SER 6 H SER 6 -2.197 -20.693 3.721
23 HA SER 6 HA SER 6 -0.677 -18.720 5.121
24 HB2 SER 6 1HB SER 6 -1.741 -18.109 2.389
25 HB3 SER 6 2HB SER 6 -1.753 -16.843 3.617
26 HG SER 6 HG SER 6 0.539 -18.346 2.881
27 H GLY 7 H GLY 7 -1.881 -18.020 6.764
28 HA2 GLY 7 1HA GLY 7 -4.717 -18.669 6.792
29 HA3 GLY 7 2HA GLY 7 -3.759 -18.115 8.158
30 H THR 8 H THR 8 -4.053 -16.594 4.981
31 HA THR 8 HA THR 8 -5.809 -14.532 5.993
32 HB THR 8 HB THR 8 -4.214 -12.691 5.343
33 HG1 THR 8 HG1 THR 8 -2.112 -14.515 5.750
34 HG21 THR 8 3HG2 THR 8 -4.673 -13.309 7.695
35 HG22 THR 8 1HG2 THR 8 -3.035 -12.699 7.462
36 HG23 THR 8 2HG2 THR 8 -3.314 -14.431 7.642
37 H GLY 9 H GLY 9 -6.545 -13.069 4.329
38 HA2 GLY 9 1HA GLY 9 -6.354 -12.421 1.948
39 HA3 GLY 9 2HA GLY 9 -6.079 -14.123 1.607
40 H GLU 10 H GLU 10 -8.476 -12.691 3.784
41 HA GLU 10 HA GLU 10 -10.592 -13.636 1.971
42 HB2 GLU 10 1HB GLU 10 -10.235 -14.192 4.894
43 HB3 GLU 10 2HB GLU 10 -11.853 -14.119 4.212
44 HG2 GLU 10 1HG GLU 10 -11.564 -16.013 2.956
45 HG3 GLU 10 2HG GLU 10 -9.812 -15.834 2.892
46 H LYS 11 H LYS 11 -9.426 -10.973 2.480
47 HA LYS 11 HA LYS 11 -11.876 -9.615 3.395
48 HB2 LYS 11 1HB LYS 11 -9.003 -8.762 3.781
49 HB3 LYS 11 2HB LYS 11 -10.389 -7.733 4.118
50 HG2 LYS 11 1HG LYS 11 -9.904 -8.568 6.200
51 HG3 LYS 11 2HG LYS 11 -11.140 -9.699 5.644
52 HD2 LYS 11 1HD LYS 11 -9.403 -11.274 4.965
53 HD3 LYS 11 2HD LYS 11 -8.157 -10.138 5.489
54 HE2 LYS 11 1HE LYS 11 -8.301 -11.540 7.312
55 HE3 LYS 11 2HE LYS 11 -9.412 -10.250 7.771
56 HZ1 LYS 11 3HZ LYS 11 -10.969 -11.789 7.998
57 HZ2 LYS 11 1HZ LYS 11 -9.944 -13.000 7.409
58 HZ3 LYS 11 2HZ LYS 11 -10.893 -12.100 6.337
59 HA PRO 12 HA PRO 12 -12.001 -7.702 -0.565
60 HB2 PRO 12 1HB PRO 12 -13.407 -5.465 0.060
61 HB3 PRO 12 2HB PRO 12 -14.145 -7.069 -0.030
62 HG2 PRO 12 1HG PRO 12 -13.233 -5.536 2.374
63 HG3 PRO 12 2HG PRO 12 -14.715 -6.482 2.146
64 HD2 PRO 12 1HD PRO 12 -12.566 -7.440 3.486
65 HD3 PRO 12 2HD PRO 12 -13.646 -8.486 2.542
66 H TYR 13 H TYR 13 -10.406 -6.322 2.116
67 HA TYR 13 HA TYR 13 -8.955 -4.503 0.323
68 HB2 TYR 13 1HB TYR 13 -9.683 -3.755 3.155
69 HB3 TYR 13 2HB TYR 13 -8.970 -2.727 1.918
70 HD1 TYR 13 HD2 TYR 13 -10.370 -2.063 -0.067
71 HD2 TYR 13 HD1 TYR 13 -12.027 -3.983 3.350
72 HE1 TYR 13 HE2 TYR 13 -12.612 -1.307 -0.737
73 HE2 TYR 13 HE1 TYR 13 -14.274 -3.233 2.688
74 HH TYR 13 HH TYR 13 -15.495 -2.281 1.070
75 H GLU 14 H GLU 14 -6.815 -4.720 0.441
76 HA GLU 14 HA GLU 14 -5.554 -5.625 2.902
77 HB2 GLU 14 1HB GLU 14 -6.210 -7.601 1.301
78 HB3 GLU 14 2HB GLU 14 -4.800 -7.072 0.393
79 HG2 GLU 14 1HG GLU 14 -3.482 -7.287 2.521
80 HG3 GLU 14 2HG GLU 14 -4.897 -8.067 3.226
81 H CYS 15 H CYS 15 -3.550 -4.798 3.184
82 HA CYS 15 HA CYS 15 -2.679 -2.711 1.468
83 HB2 CYS 15 1HB CYS 15 -2.279 -2.680 3.895
84 HB3 CYS 15 2HB CYS 15 -1.216 -4.075 3.738
85 H LYS 16 H LYS 16 -1.636 -2.924 -0.387
86 HA LYS 16 HA LYS 16 -0.264 -5.404 -1.023
87 HB2 LYS 16 1HB LYS 16 -1.817 -3.899 -2.556
88 HB3 LYS 16 2HB LYS 16 -0.301 -3.070 -2.884
89 HG2 LYS 16 1HG LYS 16 0.534 -5.550 -3.298
90 HG3 LYS 16 2HG LYS 16 -1.180 -5.797 -3.641
91 HD2 LYS 16 1HD LYS 16 0.277 -3.497 -4.880
92 HD3 LYS 16 2HD LYS 16 0.443 -5.117 -5.563
93 HE2 LYS 16 1HE LYS 16 -2.266 -3.979 -4.988
94 HE3 LYS 16 2HE LYS 16 -1.407 -3.533 -6.461
95 HZ1 LYS 16 3HZ LYS 16 -2.997 -5.670 -6.237
96 HZ2 LYS 16 1HZ LYS 16 -1.493 -6.371 -5.906
97 HZ3 LYS 16 2HZ LYS 16 -1.738 -5.544 -7.360
98 H GLU 17 H GLU 17 0.967 -3.917 1.021
99 HA GLU 17 HA GLU 17 3.515 -3.272 -0.290
100 HB2 GLU 17 1HB GLU 17 2.391 -1.709 2.037
101 HB3 GLU 17 2HB GLU 17 3.878 -1.379 1.158
102 HG2 GLU 17 1HG GLU 17 2.197 -1.228 -0.882
103 HG3 GLU 17 2HG GLU 17 1.065 -0.830 0.410
104 H CYS 18 H CYS 18 1.820 -4.218 2.654
105 HA CYS 18 HA CYS 18 4.281 -5.571 3.545
106 HB2 CYS 18 1HB CYS 18 3.732 -5.097 5.837
107 HB3 CYS 18 2HB CYS 18 3.686 -3.580 4.944
108 H GLY 19 H GLY 19 0.742 -5.582 3.551
109 HA2 GLY 19 1HA GLY 19 -0.346 -7.684 2.924
110 HA3 GLY 19 2HA GLY 19 0.860 -8.514 3.896
111 H LYS 20 H LYS 20 -1.491 -5.867 4.345
112 HA LYS 20 HA LYS 20 -2.465 -7.270 6.739
113 HB2 LYS 20 1HB LYS 20 -0.905 -5.277 7.203
114 HB3 LYS 20 2HB LYS 20 -2.226 -4.271 6.625
115 HG2 LYS 20 1HG LYS 20 -3.599 -4.822 8.413
116 HG3 LYS 20 2HG LYS 20 -2.674 -6.276 8.799
117 HD2 LYS 20 1HD LYS 20 -0.869 -4.988 9.673
118 HD3 LYS 20 2HD LYS 20 -1.566 -3.486 9.061
119 HE2 LYS 20 1HE LYS 20 -2.038 -3.523 11.372
120 HE3 LYS 20 2HE LYS 20 -3.547 -3.948 10.565
121 HZ1 LYS 20 3HZ LYS 20 -2.698 -5.328 12.583
122 HZ2 LYS 20 1HZ LYS 20 -1.738 -6.096 11.421
123 HZ3 LYS 20 2HZ LYS 20 -3.422 -6.107 11.268
124 H ALA 21 H ALA 21 -4.576 -7.631 6.647
125 HA ALA 21 HA ALA 21 -6.191 -6.101 4.739
126 HB1 ALA 21 3HB ALA 21 -7.660 -8.238 5.918
127 HB2 ALA 21 1HB ALA 21 -7.123 -8.051 4.248
128 HB3 ALA 21 2HB ALA 21 -6.075 -8.839 5.428
129 H PHE 22 H PHE 22 -7.904 -4.872 5.334
130 HA PHE 22 HA PHE 22 -8.489 -4.702 8.218
131 HB2 PHE 22 1HB PHE 22 -8.455 -2.489 6.158
132 HB3 PHE 22 2HB PHE 22 -9.036 -2.300 7.809
133 HD1 PHE 22 HD1 PHE 22 -6.074 -2.878 5.714
134 HD2 PHE 22 HD2 PHE 22 -7.524 -2.106 9.641
135 HE1 PHE 22 HE1 PHE 22 -3.785 -2.365 6.455
136 HE2 PHE 22 HE2 PHE 22 -5.237 -1.592 10.388
137 HZ PHE 22 HZ PHE 22 -3.364 -1.720 8.794
138 H SER 23 H SER 23 -10.535 -5.022 8.814
139 HA SER 23 HA SER 23 -12.488 -6.010 7.130
140 HB2 SER 23 1HB SER 23 -14.097 -5.423 8.995
141 HB3 SER 23 2HB SER 23 -12.693 -6.370 9.487
142 HG SER 23 HG SER 23 -12.457 -3.599 9.595
143 H GLN 24 H GLN 24 -11.504 -2.768 7.579
144 HA GLN 24 HA GLN 24 -13.776 -1.856 5.947
145 HB2 GLN 24 1HB GLN 24 -12.658 -0.703 8.454
146 HB3 GLN 24 2HB GLN 24 -13.212 0.414 7.215
147 HG2 GLN 24 1HG GLN 24 -15.410 -0.266 7.394
148 HG3 GLN 24 2HG GLN 24 -14.978 -1.819 8.106
149 HE21 GLN 24 1HE2 GLN 24 -16.289 1.110 8.743
150 HE22 GLN 24 2HE2 GLN 24 -16.013 1.194 10.446
151 H THR 25 H THR 25 -13.332 -0.358 4.349
152 HA THR 25 HA THR 25 -10.748 -0.434 3.218
153 HB THR 25 HB THR 25 -12.722 -0.128 1.822
154 HG1 THR 25 HG1 THR 25 -11.140 0.728 0.670
155 HG21 THR 25 3HG2 THR 25 -12.999 2.722 2.631
156 HG22 THR 25 1HG2 THR 25 -13.725 1.492 3.664
157 HG23 THR 25 2HG2 THR 25 -14.202 1.614 1.971
158 H THR 26 H THR 26 -12.480 2.078 5.019
159 HA THR 26 HA THR 26 -10.604 4.131 4.757
160 HB THR 26 HB THR 26 -12.798 4.611 5.638
161 HG1 THR 26 HG1 THR 26 -10.697 5.047 7.512
162 HG21 THR 26 3HG2 THR 26 -13.536 3.858 7.821
163 HG22 THR 26 1HG2 THR 26 -12.017 2.998 8.069
164 HG23 THR 26 2HG2 THR 26 -13.139 2.464 6.818
165 H HIS 27 H HIS 27 -10.753 1.417 6.985
166 HA HIS 27 HA HIS 27 -8.820 2.242 8.828
167 HB2 HIS 27 1HB HIS 27 -9.913 -0.397 7.964
168 HB3 HIS 27 2HB HIS 27 -8.453 -0.384 8.950
169 HD1 HIS 27 HD1 HIS 27 -11.305 -1.448 9.861
170 HD2 HIS 27 HD2 HIS 27 -9.623 2.225 10.832
171 HE1 HIS 27 HE1 HIS 27 -12.445 -0.726 11.983
172 H LEU 28 H LEU 28 -8.499 0.625 5.711
173 HA LEU 28 HA LEU 28 -5.711 0.118 5.926
174 HB2 LEU 28 1HB LEU 28 -6.976 -1.175 4.388
175 HB3 LEU 28 2HB LEU 28 -7.593 0.267 3.584
176 HG LEU 28 HG LEU 28 -5.166 0.702 2.897
177 HD11 LEU 28 1HD1 LEU 28 -4.157 -0.898 4.467
178 HD12 LEU 28 2HD1 LEU 28 -3.717 -1.234 2.793
179 HD13 LEU 28 3HD1 LEU 28 -4.936 -2.221 3.598
180 HD21 LEU 28 3HD2 LEU 28 -5.579 -0.294 0.891
181 HD22 LEU 28 1HD2 LEU 28 -7.194 -0.399 1.594
182 HD23 LEU 28 2HD2 LEU 28 -6.126 -1.803 1.624
183 H ILE 29 H ILE 29 -7.623 2.771 4.612
184 HA ILE 29 HA ILE 29 -5.668 4.178 3.248
185 HB ILE 29 HB ILE 29 -7.835 5.448 4.920
186 HG12 ILE 29 1HG1 ILE 29 -8.860 3.745 3.544
187 HG13 ILE 29 2HG1 ILE 29 -9.208 5.320 2.839
188 HG21 ILE 29 1HG2 ILE 29 -7.743 7.163 3.093
189 HG22 ILE 29 2HG2 ILE 29 -6.306 7.082 4.112
190 HG23 ILE 29 3HG2 ILE 29 -6.289 6.359 2.503
191 HD11 ILE 29 3HD1 ILE 29 -7.880 3.051 1.688
192 HD12 ILE 29 1HD1 ILE 29 -8.468 4.523 0.915
193 HD13 ILE 29 2HD1 ILE 29 -6.851 4.481 1.618
194 H GLN 30 H GLN 30 -6.525 4.370 6.692
195 HA GLN 30 HA GLN 30 -4.528 6.314 7.299
196 HB2 GLN 30 1HB GLN 30 -6.191 4.485 9.028
197 HB3 GLN 30 2HB GLN 30 -5.041 5.639 9.689
198 HG2 GLN 30 1HG GLN 30 -7.101 6.619 7.784
199 HG3 GLN 30 2HG GLN 30 -7.584 6.230 9.434
200 HE21 GLN 30 1HE2 GLN 30 -8.055 8.651 9.110
201 HE22 GLN 30 2HE2 GLN 30 -6.816 9.726 9.653
202 H HIS 31 H HIS 31 -4.684 2.808 7.378
203 HA HIS 31 HA HIS 31 -2.374 2.301 8.880
204 HB2 HIS 31 1HB HIS 31 -3.736 0.436 8.526
205 HB3 HIS 31 2HB HIS 31 -3.878 0.746 6.798
206 HD1 HIS 31 HD1 HIS 31 -1.213 -0.336 9.285
207 HD2 HIS 31 HD2 HIS 31 -2.227 -0.774 5.279
208 HE1 HIS 31 HE1 HIS 31 0.446 -1.976 8.347
209 H GLN 32 H GLN 32 -2.816 2.819 5.407
210 HA GLN 32 HA GLN 32 -0.225 2.233 4.562
211 HB2 GLN 32 1HB GLN 32 -2.232 4.203 3.461
212 HB3 GLN 32 2HB GLN 32 -0.742 3.760 2.638
213 HG2 GLN 32 1HG GLN 32 -1.614 1.339 2.873
214 HG3 GLN 32 2HG GLN 32 -3.175 2.107 3.158
215 HE21 GLN 32 1HE2 GLN 32 -3.674 0.855 1.178
216 HE22 GLN 32 2HE2 GLN 32 -3.380 1.609 -0.348
217 H ARG 33 H ARG 33 -1.458 4.949 6.297
218 HA ARG 33 HA ARG 33 0.392 6.926 5.652
219 HB2 ARG 33 1HB ARG 33 -0.847 6.423 8.363
220 HB3 ARG 33 2HB ARG 33 -0.164 7.940 7.795
221 HG2 ARG 33 1HG ARG 33 -2.576 6.565 6.630
222 HG3 ARG 33 2HG ARG 33 -2.605 7.950 7.725
223 HD2 ARG 33 1HD ARG 33 -1.138 9.115 5.976
224 HD3 ARG 33 2HD ARG 33 -1.624 7.813 4.891
225 HE ARG 33 HE ARG 33 -3.606 8.893 4.624
226 HH11 ARG 33 1HH1 ARG 33 -2.257 9.831 7.694
227 HH12 ARG 33 2HH1 ARG 33 -3.527 10.953 8.056
228 HH21 ARG 33 1HH2 ARG 33 -5.283 10.368 5.090
229 HH22 ARG 33 2HH2 ARG 33 -5.248 11.257 6.575
230 H VAL 34 H VAL 34 0.671 4.156 7.777
231 HA VAL 34 HA VAL 34 3.015 4.924 9.142
232 HB VAL 34 HB VAL 34 3.220 2.666 9.848
233 HG11 VAL 34 1HG1 VAL 34 0.510 3.812 9.643
234 HG12 VAL 34 2HG1 VAL 34 0.599 2.109 10.096
235 HG13 VAL 34 3HG1 VAL 34 1.434 3.325 11.063
236 HG21 VAL 34 3HG2 VAL 34 1.947 2.093 7.258
237 HG22 VAL 34 1HG2 VAL 34 3.152 1.175 8.161
238 HG23 VAL 34 2HG2 VAL 34 1.446 1.053 8.592
239 H HIS 35 H HIS 35 2.467 3.603 5.976
240 HA HIS 35 HA HIS 35 5.205 2.797 5.568
241 HB2 HIS 35 1HB HIS 35 2.897 3.077 3.633
242 HB3 HIS 35 2HB HIS 35 4.472 2.405 3.222
243 HD1 HIS 35 HD1 HIS 35 4.781 0.696 5.864
244 HD2 HIS 35 HD2 HIS 35 1.466 0.738 3.358
245 HE1 HIS 35 HE1 HIS 35 3.608 -1.493 6.263
246 H THR 36 H THR 36 3.378 5.681 5.258
247 HA THR 36 HA THR 36 5.580 6.933 3.749
248 HB THR 36 HB THR 36 3.268 6.865 2.643
249 HG1 THR 36 HG1 THR 36 3.575 9.046 1.900
250 HG21 THR 36 3HG2 THR 36 2.429 9.301 3.969
251 HG22 THR 36 1HG2 THR 36 2.479 7.938 5.086
252 HG23 THR 36 2HG2 THR 36 1.509 7.839 3.617
253 H GLY 37 H GLY 37 5.715 6.609 6.532
254 HA2 GLY 37 1HA GLY 37 5.519 9.426 7.388
255 HA3 GLY 37 2HA GLY 37 5.014 8.123 8.454
256 H GLU 38 H GLU 38 7.093 6.294 7.860
257 HA GLU 38 HA GLU 38 9.309 7.649 9.228
258 HB2 GLU 38 1HB GLU 38 8.245 4.871 9.243
259 HB3 GLU 38 2HB GLU 38 9.975 5.077 9.479
260 HG2 GLU 38 1HG GLU 38 9.542 6.561 11.370
261 HG3 GLU 38 2HG GLU 38 7.807 6.350 11.135
262 H LYS 39 H LYS 39 11.266 7.843 8.318
263 HA LYS 39 HA LYS 39 12.007 6.180 6.048
264 HB2 LYS 39 1HB LYS 39 12.644 8.170 4.692
265 HB3 LYS 39 2HB LYS 39 10.909 8.009 4.932
266 HG2 LYS 39 1HG LYS 39 11.386 9.612 6.967
267 HG3 LYS 39 2HG LYS 39 12.795 10.041 5.996
268 HD2 LYS 39 1HD LYS 39 9.914 10.149 5.102
269 HD3 LYS 39 2HD LYS 39 10.927 11.532 5.519
270 HE2 LYS 39 1HE LYS 39 12.507 10.542 3.683
271 HE3 LYS 39 2HE LYS 39 11.036 9.744 3.130
272 HZ1 LYS 39 3HZ LYS 39 11.604 12.638 3.293
273 HZ2 LYS 39 1HZ LYS 39 10.017 12.059 3.211
274 HZ3 LYS 39 2HZ LYS 39 11.101 11.734 1.954
275 HA PRO 40 HA PRO 40 16.013 6.454 7.826
276 HB2 PRO 40 1HB PRO 40 17.576 6.139 5.629
277 HB3 PRO 40 2HB PRO 40 16.648 4.816 6.345
278 HG2 PRO 40 1HG PRO 40 15.994 6.522 3.974
279 HG3 PRO 40 2HG PRO 40 15.811 4.770 4.176
280 HD2 PRO 40 1HD PRO 40 13.733 6.488 4.420
281 HD3 PRO 40 2HD PRO 40 13.843 4.984 5.356
282 H SER 41 H SER 41 14.805 8.818 5.770
283 HA SER 41 HA SER 41 17.161 10.530 6.228
284 HB2 SER 41 1HB SER 41 15.365 10.251 3.852
285 HB3 SER 41 2HB SER 41 16.080 11.826 4.196
286 HG SER 41 HG SER 41 17.426 9.377 3.722
287 H GLY 42 H GLY 42 16.254 12.977 5.755
288 HA2 GLY 42 1HA GLY 42 14.329 14.417 6.232
289 HA3 GLY 42 2HA GLY 42 13.898 13.290 7.510
290 HA PRO 43 HA PRO 43 17.793 15.791 8.985
291 HB2 PRO 43 1HB PRO 43 18.287 18.079 7.610
292 HB3 PRO 43 2HB PRO 43 19.020 16.527 7.187
293 HG2 PRO 43 1HG PRO 43 16.655 17.900 5.969
294 HG3 PRO 43 2HG PRO 43 17.992 17.054 5.168
295 HD2 PRO 43 1HD PRO 43 15.565 15.915 5.547
296 HD3 PRO 43 2HD PRO 43 17.072 14.976 5.551
297 H SER 44 H SER 44 15.025 17.488 7.605
298 HA SER 44 HA SER 44 14.334 18.564 10.183
299 HB2 SER 44 1HB SER 44 14.437 20.900 9.617
300 HB3 SER 44 2HB SER 44 16.022 20.201 9.281
301 HG SER 44 HG SER 44 15.648 21.228 7.445
302 H SER 45 H SER 45 12.369 20.159 9.829
303 HA SER 45 HA SER 45 10.364 18.621 8.506
304 HB2 SER 45 1HB SER 45 10.156 21.400 9.691
305 HB3 SER 45 2HB SER 45 8.809 20.335 9.289
306 HG SER 45 HG SER 45 10.821 19.466 11.051
307 H GLY 46 H GLY 46 8.946 19.349 6.819
308 HA2 GLY 46 1HA GLY 46 8.446 21.045 5.124
309 HA3 GLY 46 2HA GLY 46 10.172 21.365 5.042
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -5.749 -31.180 3.132
2 HA2 GLY 1 1HA GLY 1 -3.089 -32.368 3.398
3 HA3 GLY 1 2HA GLY 1 -3.731 -31.038 4.352
4 H SER 2 H SER 2 -4.316 -34.499 3.743
5 HA SER 2 HA SER 2 -4.836 -36.217 5.141
6 HB2 SER 2 1HB SER 2 -3.370 -34.348 6.967
7 HB3 SER 2 2HB SER 2 -4.160 -35.773 7.642
8 HG SER 2 HG SER 2 -2.655 -36.980 6.809
9 H SER 3 H SER 3 -7.000 -34.900 4.467
10 HA SER 3 HA SER 3 -9.143 -34.377 5.029
11 HB2 SER 3 1HB SER 3 -8.374 -36.049 7.428
12 HB3 SER 3 2HB SER 3 -10.018 -35.488 7.120
13 HG SER 3 HG SER 3 -8.646 -36.840 5.086
14 H GLY 4 H GLY 4 -7.396 -32.322 5.485
15 HA2 GLY 4 1HA GLY 4 -8.621 -31.050 7.841
16 HA3 GLY 4 2HA GLY 4 -6.880 -30.969 7.615
17 H SER 5 H SER 5 -9.285 -29.007 7.545
18 HA SER 5 HA SER 5 -8.341 -27.572 5.157
19 HB2 SER 5 1HB SER 5 -10.498 -28.441 4.546
20 HB3 SER 5 2HB SER 5 -11.205 -27.909 6.072
21 HG SER 5 HG SER 5 -10.003 -26.011 4.396
22 H SER 6 H SER 6 -7.281 -25.859 5.902
23 HA SER 6 HA SER 6 -8.409 -24.400 8.201
24 HB2 SER 6 1HB SER 6 -6.125 -23.600 8.651
25 HB3 SER 6 2HB SER 6 -6.195 -25.362 8.664
26 HG SER 6 HG SER 6 -5.522 -25.148 6.364
27 H GLY 7 H GLY 7 -7.532 -22.012 8.167
28 HA2 GLY 7 1HA GLY 7 -6.877 -20.222 6.566
29 HA3 GLY 7 2HA GLY 7 -8.007 -20.966 5.443
30 H THR 8 H THR 8 -7.599 -18.660 7.884
31 HA THR 8 HA THR 8 -10.201 -18.486 8.938
32 HB THR 8 HB THR 8 -8.193 -16.254 8.577
33 HG1 THR 8 HG1 THR 8 -8.662 -17.755 10.937
34 HG21 THR 8 3HG2 THR 8 -9.889 -16.066 10.896
35 HG22 THR 8 1HG2 THR 8 -10.862 -16.153 9.428
36 HG23 THR 8 2HG2 THR 8 -9.636 -14.897 9.601
37 H GLY 9 H GLY 9 -8.666 -16.750 6.234
38 HA2 GLY 9 1HA GLY 9 -10.412 -16.671 4.309
39 HA3 GLY 9 2HA GLY 9 -11.301 -15.699 5.471
40 H GLU 10 H GLU 10 -10.774 -14.562 3.105
41 HA GLU 10 HA GLU 10 -8.631 -12.646 3.746
42 HB2 GLU 10 1HB GLU 10 -9.243 -14.042 1.174
43 HB3 GLU 10 2HB GLU 10 -8.587 -12.412 1.121
44 HG2 GLU 10 1HG GLU 10 -6.581 -13.053 2.107
45 HG3 GLU 10 2HG GLU 10 -7.260 -14.555 2.733
46 H LYS 11 H LYS 11 -9.335 -10.637 3.977
47 HA LYS 11 HA LYS 11 -12.047 -9.934 3.417
48 HB2 LYS 11 1HB LYS 11 -9.683 -8.589 4.621
49 HB3 LYS 11 2HB LYS 11 -10.963 -7.559 3.994
50 HG2 LYS 11 1HG LYS 11 -11.417 -7.882 6.286
51 HG3 LYS 11 2HG LYS 11 -12.571 -8.884 5.403
52 HD2 LYS 11 1HD LYS 11 -11.601 -10.839 6.082
53 HD3 LYS 11 2HD LYS 11 -9.994 -10.120 6.220
54 HE2 LYS 11 1HE LYS 11 -12.295 -9.620 8.106
55 HE3 LYS 11 2HE LYS 11 -10.959 -10.731 8.407
56 HZ1 LYS 11 3HZ LYS 11 -10.961 -7.795 8.372
57 HZ2 LYS 11 1HZ LYS 11 -9.540 -8.615 7.955
58 HZ3 LYS 11 2HZ LYS 11 -10.241 -8.856 9.475
59 HA PRO 12 HA PRO 12 -11.775 -8.176 -0.593
60 HB2 PRO 12 1HB PRO 12 -13.381 -5.998 -0.382
61 HB3 PRO 12 2HB PRO 12 -14.004 -7.651 -0.410
62 HG2 PRO 12 1HG PRO 12 -13.522 -5.848 1.930
63 HG3 PRO 12 2HG PRO 12 -14.901 -6.914 1.605
64 HD2 PRO 12 1HD PRO 12 -12.904 -7.592 3.303
65 HD3 PRO 12 2HD PRO 12 -13.782 -8.793 2.333
66 H TYR 13 H TYR 13 -10.341 -6.725 2.017
67 HA TYR 13 HA TYR 13 -8.993 -4.777 0.288
68 HB2 TYR 13 1HB TYR 13 -9.777 -4.116 3.125
69 HB3 TYR 13 2HB TYR 13 -9.124 -3.030 1.902
70 HD1 TYR 13 HD2 TYR 13 -10.566 -2.487 -0.114
71 HD2 TYR 13 HD1 TYR 13 -12.097 -4.418 3.354
72 HE1 TYR 13 HE2 TYR 13 -12.849 -1.853 -0.776
73 HE2 TYR 13 HE1 TYR 13 -14.384 -3.791 2.701
74 HH TYR 13 HH TYR 13 -15.377 -1.784 1.173
75 H GLU 14 H GLU 14 -6.839 -4.820 0.463
76 HA GLU 14 HA GLU 14 -5.546 -5.669 2.909
77 HB2 GLU 14 1HB GLU 14 -6.133 -7.735 1.439
78 HB3 GLU 14 2HB GLU 14 -4.810 -7.180 0.423
79 HG2 GLU 14 1HG GLU 14 -3.279 -7.336 2.307
80 HG3 GLU 14 2HG GLU 14 -4.601 -7.860 3.348
81 H CYS 15 H CYS 15 -3.325 -5.154 2.985
82 HA CYS 15 HA CYS 15 -2.575 -3.052 1.109
83 HB2 CYS 15 1HB CYS 15 -2.419 -2.770 3.621
84 HB3 CYS 15 2HB CYS 15 -1.088 -3.923 3.589
85 H LYS 16 H LYS 16 -1.739 -3.892 -0.717
86 HA LYS 16 HA LYS 16 -0.212 -6.254 -0.881
87 HB2 LYS 16 1HB LYS 16 -0.567 -3.911 -2.740
88 HB3 LYS 16 2HB LYS 16 0.474 -5.268 -3.148
89 HG2 LYS 16 1HG LYS 16 -1.547 -6.748 -2.747
90 HG3 LYS 16 2HG LYS 16 -2.498 -5.261 -2.738
91 HD2 LYS 16 1HD LYS 16 -1.317 -4.779 -4.991
92 HD3 LYS 16 2HD LYS 16 -0.952 -6.506 -4.983
93 HE2 LYS 16 1HE LYS 16 -3.725 -5.367 -4.672
94 HE3 LYS 16 2HE LYS 16 -3.039 -5.874 -6.215
95 HZ1 LYS 16 3HZ LYS 16 -4.253 -7.454 -4.221
96 HZ2 LYS 16 1HZ LYS 16 -2.654 -7.965 -4.432
97 HZ3 LYS 16 2HZ LYS 16 -3.708 -7.918 -5.753
98 H GLU 17 H GLU 17 0.597 -3.157 0.224
99 HA GLU 17 HA GLU 17 3.324 -3.043 -0.537
100 HB2 GLU 17 1HB GLU 17 2.025 -1.778 1.881
101 HB3 GLU 17 2HB GLU 17 3.537 -1.292 1.127
102 HG2 GLU 17 1HG GLU 17 2.087 -0.923 -0.981
103 HG3 GLU 17 2HG GLU 17 0.739 -0.920 0.155
104 H CYS 18 H CYS 18 1.860 -3.816 2.626
105 HA CYS 18 HA CYS 18 4.281 -5.369 3.259
106 HB2 CYS 18 1HB CYS 18 3.666 -5.020 5.642
107 HB3 CYS 18 2HB CYS 18 3.987 -3.514 4.788
108 H GLY 19 H GLY 19 0.747 -5.321 3.569
109 HA2 GLY 19 1HA GLY 19 -0.371 -7.433 2.908
110 HA3 GLY 19 2HA GLY 19 0.844 -8.261 3.871
111 H LYS 20 H LYS 20 -1.633 -5.722 4.213
112 HA LYS 20 HA LYS 20 -2.477 -7.010 6.713
113 HB2 LYS 20 1HB LYS 20 -0.989 -4.902 7.000
114 HB3 LYS 20 2HB LYS 20 -2.415 -4.016 6.474
115 HG2 LYS 20 1HG LYS 20 -3.568 -4.453 8.389
116 HG3 LYS 20 2HG LYS 20 -2.734 -5.982 8.675
117 HD2 LYS 20 1HD LYS 20 -0.662 -4.587 9.149
118 HD3 LYS 20 2HD LYS 20 -1.739 -3.189 9.190
119 HE2 LYS 20 1HE LYS 20 -1.616 -3.810 11.421
120 HE3 LYS 20 2HE LYS 20 -3.104 -4.585 10.882
121 HZ1 LYS 20 3HZ LYS 20 -0.712 -5.769 11.883
122 HZ2 LYS 20 1HZ LYS 20 -1.138 -6.423 10.382
123 HZ3 LYS 20 2HZ LYS 20 -2.241 -6.459 11.663
124 H ALA 21 H ALA 21 -4.571 -7.462 6.675
125 HA ALA 21 HA ALA 21 -6.280 -6.094 4.725
126 HB1 ALA 21 3HB ALA 21 -7.817 -7.957 5.009
127 HB2 ALA 21 1HB ALA 21 -6.198 -8.541 4.623
128 HB3 ALA 21 2HB ALA 21 -6.795 -8.626 6.281
129 H PHE 22 H PHE 22 -8.188 -5.086 5.289
130 HA PHE 22 HA PHE 22 -8.779 -4.838 8.156
131 HB2 PHE 22 1HB PHE 22 -8.716 -2.524 6.208
132 HB3 PHE 22 2HB PHE 22 -9.132 -2.435 7.916
133 HD1 PHE 22 HD1 PHE 22 -6.379 -3.164 5.558
134 HD2 PHE 22 HD2 PHE 22 -7.472 -2.201 9.557
135 HE1 PHE 22 HE1 PHE 22 -4.012 -2.773 6.107
136 HE2 PHE 22 HE2 PHE 22 -5.108 -1.806 10.112
137 HZ PHE 22 HZ PHE 22 -3.375 -2.091 8.386
138 H SER 23 H SER 23 -10.906 -4.817 8.680
139 HA SER 23 HA SER 23 -12.808 -5.880 6.992
140 HB2 SER 23 1HB SER 23 -12.947 -4.346 9.552
141 HB3 SER 23 2HB SER 23 -14.446 -4.645 8.672
142 HG SER 23 HG SER 23 -14.362 -6.663 9.251
143 H GLN 24 H GLN 24 -12.279 -2.456 7.782
144 HA GLN 24 HA GLN 24 -14.058 -1.733 5.554
145 HB2 GLN 24 1HB GLN 24 -13.391 -0.441 8.149
146 HB3 GLN 24 2HB GLN 24 -13.717 0.614 6.781
147 HG2 GLN 24 1HG GLN 24 -15.614 -1.589 7.459
148 HG3 GLN 24 2HG GLN 24 -15.644 -0.076 8.363
149 HE21 GLN 24 1HE2 GLN 24 -15.589 1.910 6.867
150 HE22 GLN 24 2HE2 GLN 24 -16.685 1.864 5.532
151 H THR 25 H THR 25 -13.424 0.017 4.161
152 HA THR 25 HA THR 25 -10.792 -0.216 3.201
153 HB THR 25 HB THR 25 -11.348 1.799 1.807
154 HG1 THR 25 HG1 THR 25 -12.845 3.014 2.703
155 HG21 THR 25 3HG2 THR 25 -11.845 -0.333 0.878
156 HG22 THR 25 1HG2 THR 25 -13.267 0.673 0.608
157 HG23 THR 25 2HG2 THR 25 -13.267 -0.524 1.904
158 H THR 26 H THR 26 -12.370 2.461 4.945
159 HA THR 26 HA THR 26 -10.343 4.275 5.091
160 HB THR 26 HB THR 26 -11.233 4.886 7.385
161 HG1 THR 26 HG1 THR 26 -12.080 3.065 8.219
162 HG21 THR 26 3HG2 THR 26 -13.701 4.747 5.895
163 HG22 THR 26 1HG2 THR 26 -12.356 5.183 4.842
164 HG23 THR 26 2HG2 THR 26 -12.702 6.148 6.277
165 H HIS 27 H HIS 27 -10.820 1.513 7.282
166 HA HIS 27 HA HIS 27 -8.711 1.939 9.015
167 HB2 HIS 27 1HB HIS 27 -10.018 -0.575 8.007
168 HB3 HIS 27 2HB HIS 27 -8.673 -0.649 9.142
169 HD1 HIS 27 HD1 HIS 27 -12.040 -1.073 9.342
170 HD2 HIS 27 HD2 HIS 27 -9.498 1.566 11.302
171 HE1 HIS 27 HE1 HIS 27 -13.257 -0.396 11.436
172 H LEU 28 H LEU 28 -8.670 0.750 5.737
173 HA LEU 28 HA LEU 28 -5.923 -0.135 5.871
174 HB2 LEU 28 1HB LEU 28 -7.246 -1.370 4.388
175 HB3 LEU 28 2HB LEU 28 -7.966 0.078 3.687
176 HG LEU 28 HG LEU 28 -5.858 0.586 2.559
177 HD11 LEU 28 1HD1 LEU 28 -4.350 -0.419 4.216
178 HD12 LEU 28 2HD1 LEU 28 -4.013 -0.984 2.579
179 HD13 LEU 28 3HD1 LEU 28 -4.880 -2.024 3.709
180 HD21 LEU 28 3HD2 LEU 28 -6.092 -0.967 0.848
181 HD22 LEU 28 1HD2 LEU 28 -7.663 -1.020 1.649
182 HD23 LEU 28 2HD2 LEU 28 -6.472 -2.284 1.959
183 H ILE 29 H ILE 29 -7.651 2.751 5.046
184 HA ILE 29 HA ILE 29 -5.579 3.973 3.510
185 HB ILE 29 HB ILE 29 -7.738 5.444 5.006
186 HG12 ILE 29 1HG1 ILE 29 -8.768 3.591 3.759
187 HG13 ILE 29 2HG1 ILE 29 -9.174 5.146 3.043
188 HG21 ILE 29 1HG2 ILE 29 -6.254 6.026 2.446
189 HG22 ILE 29 2HG2 ILE 29 -7.541 7.018 3.129
190 HG23 ILE 29 3HG2 ILE 29 -6.019 6.829 3.999
191 HD11 ILE 29 3HD1 ILE 29 -8.014 4.728 1.143
192 HD12 ILE 29 1HD1 ILE 29 -6.818 3.721 1.960
193 HD13 ILE 29 2HD1 ILE 29 -8.416 3.071 1.592
194 H GLN 30 H GLN 30 -6.629 4.230 6.890
195 HA GLN 30 HA GLN 30 -4.862 6.230 7.703
196 HB2 GLN 30 1HB GLN 30 -5.544 5.769 9.844
197 HB3 GLN 30 2HB GLN 30 -6.841 4.996 8.942
198 HG2 GLN 30 1HG GLN 30 -5.802 2.838 9.215
199 HG3 GLN 30 2HG GLN 30 -4.414 3.577 10.013
200 HE21 GLN 30 1HE2 GLN 30 -6.457 1.570 10.882
201 HE22 GLN 30 2HE2 GLN 30 -7.068 2.186 12.375
202 H HIS 31 H HIS 31 -4.477 2.694 7.862
203 HA HIS 31 HA HIS 31 -1.999 2.533 9.036
204 HB2 HIS 31 1HB HIS 31 -2.966 0.463 8.695
205 HB3 HIS 31 2HB HIS 31 -3.435 0.837 7.039
206 HD1 HIS 31 HD1 HIS 31 -0.385 -0.112 9.062
207 HD2 HIS 31 HD2 HIS 31 -1.683 -0.024 5.116
208 HE1 HIS 31 HE1 HIS 31 1.393 -1.304 7.742
209 H GLN 32 H GLN 32 -2.705 2.916 5.572
210 HA GLN 32 HA GLN 32 -0.306 2.786 4.387
211 HB2 GLN 32 1HB GLN 32 -2.378 4.948 3.994
212 HB3 GLN 32 2HB GLN 32 -1.021 4.688 2.907
213 HG2 GLN 32 1HG GLN 32 -2.916 2.465 3.539
214 HG3 GLN 32 2HG GLN 32 -3.313 3.675 2.320
215 HE21 GLN 32 1HE2 GLN 32 -2.569 0.714 2.314
216 HE22 GLN 32 2HE2 GLN 32 -1.369 0.600 1.076
217 H ARG 33 H ARG 33 -1.275 5.207 6.690
218 HA ARG 33 HA ARG 33 0.537 7.232 6.254
219 HB2 ARG 33 1HB ARG 33 -0.680 6.114 8.758
220 HB3 ARG 33 2HB ARG 33 0.496 7.419 8.851
221 HG2 ARG 33 1HG ARG 33 -0.896 8.895 7.653
222 HG3 ARG 33 2HG ARG 33 -1.969 7.589 7.146
223 HD2 ARG 33 1HD ARG 33 -3.116 8.697 8.873
224 HD3 ARG 33 2HD ARG 33 -2.459 7.238 9.613
225 HE ARG 33 HE ARG 33 -0.789 9.576 9.873
226 HH11 ARG 33 1HH1 ARG 33 -3.358 7.685 11.267
227 HH12 ARG 33 2HH1 ARG 33 -3.098 8.277 12.874
228 HH21 ARG 33 1HH2 ARG 33 -0.436 10.363 11.985
229 HH22 ARG 33 2HH2 ARG 33 -1.436 9.801 13.282
230 H VAL 34 H VAL 34 1.029 4.265 8.149
231 HA VAL 34 HA VAL 34 3.602 4.740 9.059
232 HB VAL 34 HB VAL 34 3.880 2.269 9.124
233 HG11 VAL 34 1HG1 VAL 34 1.506 2.001 10.384
234 HG12 VAL 34 2HG1 VAL 34 2.903 2.828 11.077
235 HG13 VAL 34 3HG1 VAL 34 1.625 3.758 10.293
236 HG21 VAL 34 3HG2 VAL 34 1.229 1.494 8.447
237 HG22 VAL 34 1HG2 VAL 34 1.919 2.369 7.080
238 HG23 VAL 34 2HG2 VAL 34 2.750 0.957 7.734
239 H HIS 35 H HIS 35 2.506 3.982 5.869
240 HA HIS 35 HA HIS 35 5.135 3.211 4.919
241 HB2 HIS 35 1HB HIS 35 2.481 3.590 3.529
242 HB3 HIS 35 2HB HIS 35 3.964 3.172 2.675
243 HD1 HIS 35 HD1 HIS 35 5.131 1.012 4.425
244 HD2 HIS 35 HD2 HIS 35 1.073 1.282 3.577
245 HE1 HIS 35 HE1 HIS 35 4.216 -1.303 4.778
246 H THR 36 H THR 36 3.040 6.015 4.902
247 HA THR 36 HA THR 36 4.941 7.487 3.227
248 HB THR 36 HB THR 36 2.695 7.794 2.492
249 HG1 THR 36 HG1 THR 36 2.415 10.134 3.175
250 HG21 THR 36 3HG2 THR 36 2.124 8.106 5.401
251 HG22 THR 36 1HG2 THR 36 1.244 7.200 4.172
252 HG23 THR 36 2HG2 THR 36 1.101 8.956 4.244
253 H GLY 37 H GLY 37 6.433 7.285 5.171
254 HA2 GLY 37 1HA GLY 37 7.197 9.541 6.286
255 HA3 GLY 37 2HA GLY 37 5.811 9.189 7.306
256 H GLU 38 H GLU 38 8.626 7.424 6.001
257 HA GLU 38 HA GLU 38 8.850 6.005 8.548
258 HB2 GLU 38 1HB GLU 38 8.884 4.656 6.505
259 HB3 GLU 38 2HB GLU 38 10.269 5.564 5.915
260 HG2 GLU 38 1HG GLU 38 11.732 4.518 7.307
261 HG3 GLU 38 2HG GLU 38 10.515 4.228 8.549
262 H LYS 39 H LYS 39 10.385 6.429 10.001
263 HA LYS 39 HA LYS 39 12.538 8.288 9.229
264 HB2 LYS 39 1HB LYS 39 10.720 8.922 11.002
265 HB3 LYS 39 2HB LYS 39 11.666 7.892 12.069
266 HG2 LYS 39 1HG LYS 39 13.633 9.271 11.681
267 HG3 LYS 39 2HG LYS 39 12.708 10.293 10.579
268 HD2 LYS 39 1HD LYS 39 11.942 9.858 13.459
269 HD3 LYS 39 2HD LYS 39 12.984 11.179 12.926
270 HE2 LYS 39 1HE LYS 39 10.199 10.672 11.888
271 HE3 LYS 39 2HE LYS 39 10.591 11.815 13.171
272 HZ1 LYS 39 3HZ LYS 39 12.293 12.506 11.179
273 HZ2 LYS 39 1HZ LYS 39 10.828 13.278 11.527
274 HZ3 LYS 39 2HZ LYS 39 10.892 12.085 10.330
275 HA PRO 40 HA PRO 40 14.622 4.297 10.228
276 HB2 PRO 40 1HB PRO 40 16.522 4.562 8.307
277 HB3 PRO 40 2HB PRO 40 14.927 3.869 7.991
278 HG2 PRO 40 1HG PRO 40 15.926 6.641 7.463
279 HG3 PRO 40 2HG PRO 40 14.936 5.592 6.431
280 HD2 PRO 40 1HD PRO 40 13.878 7.596 7.913
281 HD3 PRO 40 2HD PRO 40 12.995 6.096 7.566
282 H SER 41 H SER 41 16.269 7.306 9.240
283 HA SER 41 HA SER 41 18.139 8.343 10.041
284 HB2 SER 41 1HB SER 41 16.858 7.443 12.631
285 HB3 SER 41 2HB SER 41 18.176 8.611 12.529
286 HG SER 41 HG SER 41 16.821 10.086 11.858
287 H GLY 42 H GLY 42 18.676 5.764 9.154
288 HA2 GLY 42 1HA GLY 42 20.159 4.009 9.354
289 HA3 GLY 42 2HA GLY 42 21.211 5.252 10.014
290 HA PRO 43 HA PRO 43 20.760 2.031 13.273
291 HB2 PRO 43 1HB PRO 43 23.355 2.157 14.061
292 HB3 PRO 43 2HB PRO 43 22.807 1.148 12.717
293 HG2 PRO 43 1HG PRO 43 24.100 3.847 12.654
294 HG3 PRO 43 2HG PRO 43 24.412 2.433 11.631
295 HD2 PRO 43 1HD PRO 43 22.892 4.518 10.810
296 HD3 PRO 43 2HD PRO 43 22.591 2.850 10.282
297 H SER 44 H SER 44 19.632 3.034 14.852
298 HA SER 44 HA SER 44 20.935 5.253 16.284
299 HB2 SER 44 1HB SER 44 18.728 5.746 15.192
300 HB3 SER 44 2HB SER 44 17.988 4.565 16.273
301 HG SER 44 HG SER 44 17.837 6.176 17.606
302 H SER 45 H SER 45 18.976 2.330 16.742
303 HA SER 45 HA SER 45 20.190 2.038 19.405
304 HB2 SER 45 1HB SER 45 17.283 1.663 18.667
305 HB3 SER 45 2HB SER 45 17.988 1.053 20.164
306 HG SER 45 HG SER 45 18.053 3.771 19.350
307 H GLY 46 H GLY 46 21.172 0.844 17.092
308 HA2 GLY 46 1HA GLY 46 21.494 -1.203 16.028
309 HA3 GLY 46 2HA GLY 46 21.740 -1.691 17.698
Start of MODEL 7
1 H1 GLY 1 H GLY 1 7.701 -16.214 -4.139
2 HA2 GLY 1 1HA GLY 1 9.039 -15.351 -1.885
3 HA3 GLY 1 2HA GLY 1 9.633 -14.340 -3.194
4 H SER 2 H SER 2 8.132 -12.996 -4.330
5 HA SER 2 HA SER 2 5.853 -12.237 -2.642
6 HB2 SER 2 1HB SER 2 7.402 -10.687 -4.727
7 HB3 SER 2 2HB SER 2 5.951 -10.078 -3.932
8 HG SER 2 HG SER 2 8.230 -10.965 -2.505
9 H SER 3 H SER 3 4.006 -11.200 -3.946
10 HA SER 3 HA SER 3 3.536 -12.272 -6.573
11 HB2 SER 3 1HB SER 3 3.017 -14.125 -4.796
12 HB3 SER 3 2HB SER 3 1.558 -13.178 -4.506
13 HG SER 3 HG SER 3 0.862 -13.599 -6.514
14 H GLY 4 H GLY 4 2.383 -10.816 -7.650
15 HA2 GLY 4 1HA GLY 4 1.498 -8.416 -6.719
16 HA3 GLY 4 2HA GLY 4 0.784 -9.217 -8.111
17 H SER 5 H SER 5 -0.649 -7.524 -6.395
18 HA SER 5 HA SER 5 -2.068 -8.862 -4.374
19 HB2 SER 5 1HB SER 5 -3.660 -7.029 -4.503
20 HB3 SER 5 2HB SER 5 -2.024 -6.391 -4.668
21 HG SER 5 HG SER 5 -3.401 -7.088 -6.995
22 H SER 6 H SER 6 -3.622 -10.345 -4.437
23 HA SER 6 HA SER 6 -5.207 -10.649 -6.892
24 HB2 SER 6 1HB SER 6 -3.334 -12.338 -6.799
25 HB3 SER 6 2HB SER 6 -4.087 -12.994 -5.345
26 HG SER 6 HG SER 6 -4.706 -14.071 -7.312
27 H GLY 7 H GLY 7 -6.011 -9.311 -4.574
28 HA2 GLY 7 1HA GLY 7 -7.581 -9.320 -2.873
29 HA3 GLY 7 2HA GLY 7 -8.527 -10.166 -4.089
30 H THR 8 H THR 8 -5.673 -11.220 -2.257
31 HA THR 8 HA THR 8 -7.103 -13.655 -1.525
32 HB THR 8 HB THR 8 -4.196 -12.911 -1.144
33 HG1 THR 8 HG1 THR 8 -5.421 -14.717 -2.980
34 HG21 THR 8 3HG2 THR 8 -5.525 -15.600 -0.807
35 HG22 THR 8 1HG2 THR 8 -5.073 -14.540 0.527
36 HG23 THR 8 2HG2 THR 8 -3.828 -15.210 -0.528
37 H GLY 9 H GLY 9 -7.567 -14.273 0.548
38 HA2 GLY 9 1HA GLY 9 -6.878 -13.899 2.960
39 HA3 GLY 9 2HA GLY 9 -7.162 -12.200 2.611
40 H GLU 10 H GLU 10 -8.674 -12.262 4.391
41 HA GLU 10 HA GLU 10 -11.210 -13.604 3.733
42 HB2 GLU 10 1HB GLU 10 -10.038 -14.106 5.942
43 HB3 GLU 10 2HB GLU 10 -10.450 -12.464 6.419
44 HG2 GLU 10 1HG GLU 10 -12.224 -13.551 7.307
45 HG3 GLU 10 2HG GLU 10 -12.868 -13.248 5.694
46 H LYS 11 H LYS 11 -9.848 -10.773 3.189
47 HA LYS 11 HA LYS 11 -12.394 -9.348 3.319
48 HB2 LYS 11 1HB LYS 11 -9.814 -8.150 4.346
49 HB3 LYS 11 2HB LYS 11 -11.374 -7.343 4.259
50 HG2 LYS 11 1HG LYS 11 -12.241 -8.536 6.033
51 HG3 LYS 11 2HG LYS 11 -11.091 -9.860 5.839
52 HD2 LYS 11 1HD LYS 11 -9.288 -8.422 6.640
53 HD3 LYS 11 2HD LYS 11 -10.422 -7.080 6.806
54 HE2 LYS 11 1HE LYS 11 -11.727 -8.810 8.302
55 HE3 LYS 11 2HE LYS 11 -10.132 -9.547 8.452
56 HZ1 LYS 11 3HZ LYS 11 -10.312 -8.057 10.232
57 HZ2 LYS 11 1HZ LYS 11 -10.972 -6.830 9.271
58 HZ3 LYS 11 2HZ LYS 11 -9.342 -7.252 9.104
59 HA PRO 12 HA PRO 12 -11.212 -8.116 -0.738
60 HB2 PRO 12 1HB PRO 12 -12.822 -5.948 -1.018
61 HB3 PRO 12 2HB PRO 12 -13.428 -7.608 -1.068
62 HG2 PRO 12 1HG PRO 12 -13.451 -5.650 1.197
63 HG3 PRO 12 2HG PRO 12 -14.731 -6.752 0.657
64 HD2 PRO 12 1HD PRO 12 -13.143 -7.294 2.782
65 HD3 PRO 12 2HD PRO 12 -13.796 -8.566 1.729
66 H TYR 13 H TYR 13 -10.477 -6.384 2.033
67 HA TYR 13 HA TYR 13 -8.935 -4.401 0.490
68 HB2 TYR 13 1HB TYR 13 -9.721 -3.986 3.360
69 HB3 TYR 13 2HB TYR 13 -9.268 -2.787 2.153
70 HD1 TYR 13 HD2 TYR 13 -10.968 -3.169 -0.072
71 HD2 TYR 13 HD1 TYR 13 -11.898 -3.696 4.046
72 HE1 TYR 13 HE2 TYR 13 -13.343 -2.760 -0.562
73 HE2 TYR 13 HE1 TYR 13 -14.276 -3.290 3.568
74 HH TYR 13 HH TYR 13 -15.811 -3.483 1.577
75 H GLU 14 H GLU 14 -6.845 -4.861 0.485
76 HA GLU 14 HA GLU 14 -5.578 -5.744 2.975
77 HB2 GLU 14 1HB GLU 14 -6.114 -7.644 1.248
78 HB3 GLU 14 2HB GLU 14 -4.720 -6.997 0.395
79 HG2 GLU 14 1HG GLU 14 -3.425 -7.277 2.536
80 HG3 GLU 14 2HG GLU 14 -4.808 -8.180 3.153
81 H CYS 15 H CYS 15 -3.441 -5.106 3.233
82 HA CYS 15 HA CYS 15 -2.671 -2.797 1.696
83 HB2 CYS 15 1HB CYS 15 -2.361 -3.227 4.244
84 HB3 CYS 15 2HB CYS 15 -0.923 -4.115 3.752
85 H LYS 16 H LYS 16 -1.644 -2.945 -0.175
86 HA LYS 16 HA LYS 16 -0.214 -5.334 -0.927
87 HB2 LYS 16 1HB LYS 16 0.124 -4.180 -3.077
88 HB3 LYS 16 2HB LYS 16 -1.565 -4.177 -2.589
89 HG2 LYS 16 1HG LYS 16 -1.363 -2.017 -3.253
90 HG3 LYS 16 2HG LYS 16 -0.897 -1.838 -1.560
91 HD2 LYS 16 1HD LYS 16 1.469 -2.006 -2.214
92 HD3 LYS 16 2HD LYS 16 0.981 -2.137 -3.905
93 HE2 LYS 16 1HE LYS 16 0.347 0.201 -2.109
94 HE3 LYS 16 2HE LYS 16 1.695 0.148 -3.244
95 HZ1 LYS 16 3HZ LYS 16 -0.414 -0.527 -4.788
96 HZ2 LYS 16 1HZ LYS 16 0.245 1.027 -4.673
97 HZ3 LYS 16 2HZ LYS 16 -1.102 0.608 -3.739
98 H GLU 17 H GLU 17 0.608 -2.814 0.968
99 HA GLU 17 HA GLU 17 3.313 -2.455 -0.052
100 HB2 GLU 17 1HB GLU 17 2.084 -1.275 2.441
101 HB3 GLU 17 2HB GLU 17 3.557 -0.753 1.635
102 HG2 GLU 17 1HG GLU 17 1.886 -0.422 -0.392
103 HG3 GLU 17 2HG GLU 17 0.725 -0.260 0.925
104 H CYS 18 H CYS 18 1.649 -3.802 2.762
105 HA CYS 18 HA CYS 18 4.134 -5.227 3.446
106 HB2 CYS 18 1HB CYS 18 3.678 -4.974 5.792
107 HB3 CYS 18 2HB CYS 18 3.613 -3.377 5.054
108 H GLY 19 H GLY 19 0.610 -5.219 3.444
109 HA2 GLY 19 1HA GLY 19 -0.533 -7.229 2.707
110 HA3 GLY 19 2HA GLY 19 0.700 -8.167 3.535
111 H LYS 20 H LYS 20 -1.813 -5.735 4.201
112 HA LYS 20 HA LYS 20 -2.548 -7.287 6.585
113 HB2 LYS 20 1HB LYS 20 -1.146 -5.104 6.977
114 HB3 LYS 20 2HB LYS 20 -2.675 -4.295 6.658
115 HG2 LYS 20 1HG LYS 20 -3.649 -5.075 8.577
116 HG3 LYS 20 2HG LYS 20 -2.612 -6.502 8.654
117 HD2 LYS 20 1HD LYS 20 -1.343 -3.827 8.942
118 HD3 LYS 20 2HD LYS 20 -2.287 -4.450 10.297
119 HE2 LYS 20 1HE LYS 20 -0.042 -5.127 10.657
120 HE3 LYS 20 2HE LYS 20 -0.926 -6.560 10.133
121 HZ1 LYS 20 3HZ LYS 20 0.031 -6.447 8.010
122 HZ2 LYS 20 1HZ LYS 20 1.314 -6.167 9.077
123 HZ3 LYS 20 2HZ LYS 20 0.609 -4.875 8.245
124 H ALA 21 H ALA 21 -4.633 -7.795 6.593
125 HA ALA 21 HA ALA 21 -6.429 -6.441 4.731
126 HB1 ALA 21 3HB ALA 21 -7.122 -8.845 6.389
127 HB2 ALA 21 1HB ALA 21 -7.824 -8.316 4.860
128 HB3 ALA 21 2HB ALA 21 -6.190 -8.979 4.898
129 H PHE 22 H PHE 22 -8.134 -5.218 5.329
130 HA PHE 22 HA PHE 22 -8.718 -4.996 8.207
131 HB2 PHE 22 1HB PHE 22 -8.635 -2.720 6.214
132 HB3 PHE 22 2HB PHE 22 -9.060 -2.585 7.917
133 HD1 PHE 22 HD1 PHE 22 -6.325 -3.210 5.544
134 HD2 PHE 22 HD2 PHE 22 -7.386 -2.544 9.612
135 HE1 PHE 22 HE1 PHE 22 -3.956 -2.845 6.099
136 HE2 PHE 22 HE2 PHE 22 -5.019 -2.178 10.173
137 HZ PHE 22 HZ PHE 22 -3.300 -2.327 8.415
138 H SER 23 H SER 23 -10.847 -4.768 8.789
139 HA SER 23 HA SER 23 -12.802 -5.830 7.084
140 HB2 SER 23 1HB SER 23 -14.418 -5.137 8.837
141 HB3 SER 23 2HB SER 23 -13.014 -5.966 9.508
142 HG SER 23 HG SER 23 -12.153 -3.903 10.022
143 H GLN 24 H GLN 24 -11.973 -2.503 7.900
144 HA GLN 24 HA GLN 24 -13.938 -1.580 5.909
145 HB2 GLN 24 1HB GLN 24 -12.851 -0.277 8.394
146 HB3 GLN 24 2HB GLN 24 -13.611 0.668 7.120
147 HG2 GLN 24 1HG GLN 24 -15.541 -1.092 7.421
148 HG3 GLN 24 2HG GLN 24 -14.812 -1.278 9.016
149 HE21 GLN 24 1HE2 GLN 24 -14.009 1.278 9.554
150 HE22 GLN 24 2HE2 GLN 24 -15.389 2.308 9.691
151 H THR 25 H THR 25 -13.288 -0.305 4.243
152 HA THR 25 HA THR 25 -10.670 -0.440 3.319
153 HB THR 25 HB THR 25 -11.296 1.305 1.690
154 HG1 THR 25 HG1 THR 25 -13.270 2.337 1.865
155 HG21 THR 25 3HG2 THR 25 -12.350 -1.225 1.926
156 HG22 THR 25 1HG2 THR 25 -12.471 -0.192 0.502
157 HG23 THR 25 2HG2 THR 25 -13.782 -0.227 1.681
158 H THR 26 H THR 26 -12.319 2.192 5.031
159 HA THR 26 HA THR 26 -10.427 4.175 4.910
160 HB THR 26 HB THR 26 -11.222 4.795 7.274
161 HG1 THR 26 HG1 THR 26 -12.530 3.441 8.250
162 HG21 THR 26 3HG2 THR 26 -13.505 4.416 5.369
163 HG22 THR 26 1HG2 THR 26 -12.181 5.512 4.975
164 HG23 THR 26 2HG2 THR 26 -13.151 5.784 6.423
165 H HIS 27 H HIS 27 -10.672 1.759 7.529
166 HA HIS 27 HA HIS 27 -8.470 2.374 8.999
167 HB2 HIS 27 1HB HIS 27 -10.206 0.395 9.173
168 HB3 HIS 27 2HB HIS 27 -8.927 -0.514 8.374
169 HD1 HIS 27 HD1 HIS 27 -9.795 -1.209 11.240
170 HD2 HIS 27 HD2 HIS 27 -6.654 1.347 10.308
171 HE1 HIS 27 HE1 HIS 27 -8.298 -1.217 13.261
172 H LEU 28 H LEU 28 -8.512 0.364 6.071
173 HA LEU 28 HA LEU 28 -5.803 -0.305 6.020
174 HB2 LEU 28 1HB LEU 28 -7.224 -1.475 4.569
175 HB3 LEU 28 2HB LEU 28 -7.872 0.008 3.871
176 HG LEU 28 HG LEU 28 -5.694 0.393 2.763
177 HD11 LEU 28 1HD1 LEU 28 -3.972 -0.646 3.768
178 HD12 LEU 28 2HD1 LEU 28 -4.406 -1.977 2.696
179 HD13 LEU 28 3HD1 LEU 28 -4.977 -1.968 4.364
180 HD21 LEU 28 3HD2 LEU 28 -6.296 -0.843 0.972
181 HD22 LEU 28 1HD2 LEU 28 -7.725 -1.168 1.954
182 HD23 LEU 28 2HD2 LEU 28 -6.406 -2.338 1.902
183 H ILE 29 H ILE 29 -7.482 2.407 4.441
184 HA ILE 29 HA ILE 29 -5.245 3.563 3.230
185 HB ILE 29 HB ILE 29 -7.688 4.994 4.281
186 HG12 ILE 29 1HG1 ILE 29 -7.290 4.161 1.430
187 HG13 ILE 29 2HG1 ILE 29 -7.898 2.992 2.598
188 HG21 ILE 29 1HG2 ILE 29 -5.559 6.296 3.594
189 HG22 ILE 29 2HG2 ILE 29 -6.029 5.866 1.951
190 HG23 ILE 29 3HG2 ILE 29 -7.122 6.811 2.961
191 HD11 ILE 29 3HD1 ILE 29 -9.292 5.064 1.217
192 HD12 ILE 29 1HD1 ILE 29 -9.928 3.792 2.260
193 HD13 ILE 29 2HD1 ILE 29 -9.410 5.327 2.957
194 H GLN 30 H GLN 30 -6.685 4.162 6.419
195 HA GLN 30 HA GLN 30 -4.934 6.225 7.190
196 HB2 GLN 30 1HB GLN 30 -6.634 4.286 8.739
197 HB3 GLN 30 2HB GLN 30 -5.611 5.462 9.554
198 HG2 GLN 30 1HG GLN 30 -8.052 6.073 9.184
199 HG3 GLN 30 2HG GLN 30 -6.834 7.270 8.743
200 HE21 GLN 30 1HE2 GLN 30 -9.529 5.576 7.726
201 HE22 GLN 30 2HE2 GLN 30 -9.447 5.939 6.039
202 H HIS 31 H HIS 31 -4.561 2.791 7.069
203 HA HIS 31 HA HIS 31 -2.339 2.672 8.889
204 HB2 HIS 31 1HB HIS 31 -3.501 0.653 8.773
205 HB3 HIS 31 2HB HIS 31 -3.654 0.728 7.020
206 HD1 HIS 31 HD1 HIS 31 -1.039 0.066 9.679
207 HD2 HIS 31 HD2 HIS 31 -1.731 -0.639 5.643
208 HE1 HIS 31 HE1 HIS 31 0.810 -1.469 8.938
209 H GLN 32 H GLN 32 -2.788 3.114 5.461
210 HA GLN 32 HA GLN 32 -0.195 2.488 4.584
211 HB2 GLN 32 1HB GLN 32 -2.126 4.506 3.428
212 HB3 GLN 32 2HB GLN 32 -0.740 3.814 2.596
213 HG2 GLN 32 1HG GLN 32 -1.950 1.550 3.187
214 HG3 GLN 32 2HG GLN 32 -3.367 2.598 3.249
215 HE21 GLN 32 1HE2 GLN 32 -3.263 0.611 1.413
216 HE22 GLN 32 2HE2 GLN 32 -3.058 1.268 -0.171
217 H ARG 33 H ARG 33 -1.240 4.960 6.596
218 HA ARG 33 HA ARG 33 0.476 7.069 5.804
219 HB2 ARG 33 1HB ARG 33 -0.790 6.446 8.477
220 HB3 ARG 33 2HB ARG 33 0.060 7.941 8.108
221 HG2 ARG 33 1HG ARG 33 -1.585 8.330 6.270
222 HG3 ARG 33 2HG ARG 33 -2.485 6.933 6.863
223 HD2 ARG 33 1HD ARG 33 -2.806 8.007 9.007
224 HD3 ARG 33 2HD ARG 33 -1.809 9.371 8.503
225 HE ARG 33 HE ARG 33 -3.892 9.130 6.672
226 HH11 ARG 33 1HH1 ARG 33 -3.446 9.857 10.048
227 HH12 ARG 33 2HH1 ARG 33 -4.847 10.871 10.149
228 HH21 ARG 33 1HH2 ARG 33 -5.739 10.463 6.793
229 HH22 ARG 33 2HH2 ARG 33 -6.151 11.214 8.297
230 H VAL 34 H VAL 34 0.936 4.192 7.694
231 HA VAL 34 HA VAL 34 3.387 5.052 8.926
232 HB VAL 34 HB VAL 34 3.567 2.857 9.820
233 HG11 VAL 34 1HG1 VAL 34 0.913 4.138 9.786
234 HG12 VAL 34 2HG1 VAL 34 0.960 2.477 10.381
235 HG13 VAL 34 3HG1 VAL 34 1.955 3.718 11.145
236 HG21 VAL 34 3HG2 VAL 34 3.179 1.125 8.475
237 HG22 VAL 34 1HG2 VAL 34 1.460 1.356 8.796
238 HG23 VAL 34 2HG2 VAL 34 2.202 2.109 7.384
239 H HIS 35 H HIS 35 2.498 3.742 5.891
240 HA HIS 35 HA HIS 35 5.153 2.693 5.328
241 HB2 HIS 35 1HB HIS 35 2.578 2.762 3.763
242 HB3 HIS 35 2HB HIS 35 4.097 2.236 3.044
243 HD1 HIS 35 HD1 HIS 35 5.242 0.480 5.228
244 HD2 HIS 35 HD2 HIS 35 1.228 0.449 4.156
245 HE1 HIS 35 HE1 HIS 35 4.367 -1.760 5.964
246 H THR 36 H THR 36 3.394 5.596 4.974
247 HA THR 36 HA THR 36 5.249 6.585 2.919
248 HB THR 36 HB THR 36 2.821 6.852 2.458
249 HG1 THR 36 HG1 THR 36 3.081 8.925 1.705
250 HG21 THR 36 3HG2 THR 36 2.672 9.029 4.484
251 HG22 THR 36 1HG2 THR 36 2.445 7.367 5.026
252 HG23 THR 36 2HG2 THR 36 1.384 8.044 3.790
253 H GLY 37 H GLY 37 4.264 6.967 6.229
254 HA2 GLY 37 1HA GLY 37 5.988 9.339 6.498
255 HA3 GLY 37 2HA GLY 37 4.741 8.858 7.639
256 H GLU 38 H GLU 38 7.517 7.178 6.158
257 HA GLU 38 HA GLU 38 8.398 6.480 8.883
258 HB2 GLU 38 1HB GLU 38 7.588 4.507 7.719
259 HB3 GLU 38 2HB GLU 38 8.625 4.858 6.344
260 HG2 GLU 38 1HG GLU 38 9.628 3.110 7.607
261 HG3 GLU 38 2HG GLU 38 10.594 4.567 7.827
262 H LYS 39 H LYS 39 10.588 6.557 9.347
263 HA LYS 39 HA LYS 39 12.304 7.764 7.279
264 HB2 LYS 39 1HB LYS 39 13.405 9.062 9.088
265 HB3 LYS 39 2HB LYS 39 11.719 9.501 8.849
266 HG2 LYS 39 1HG LYS 39 12.349 7.448 10.898
267 HG3 LYS 39 2HG LYS 39 12.734 9.134 11.253
268 HD2 LYS 39 1HD LYS 39 10.281 9.532 10.389
269 HD3 LYS 39 2HD LYS 39 10.085 7.833 10.827
270 HE2 LYS 39 1HE LYS 39 11.220 8.595 13.060
271 HE3 LYS 39 2HE LYS 39 10.666 10.193 12.562
272 HZ1 LYS 39 3HZ LYS 39 8.422 8.974 12.235
273 HZ2 LYS 39 1HZ LYS 39 8.902 9.431 13.792
274 HZ3 LYS 39 2HZ LYS 39 9.081 7.826 13.289
275 HA PRO 40 HA PRO 40 15.217 4.586 8.117
276 HB2 PRO 40 1HB PRO 40 17.546 5.877 7.585
277 HB3 PRO 40 2HB PRO 40 16.412 5.381 6.323
278 HG2 PRO 40 1HG PRO 40 16.779 8.068 7.590
279 HG3 PRO 40 2HG PRO 40 16.539 7.661 5.881
280 HD2 PRO 40 1HD PRO 40 14.535 8.574 7.457
281 HD3 PRO 40 2HD PRO 40 14.259 7.431 6.127
282 H SER 41 H SER 41 14.700 4.599 10.438
283 HA SER 41 HA SER 41 16.800 5.887 12.055
284 HB2 SER 41 1HB SER 41 13.937 5.197 12.675
285 HB3 SER 41 2HB SER 41 15.114 5.434 13.967
286 HG SER 41 HG SER 41 15.531 7.487 12.592
287 H GLY 42 H GLY 42 14.596 3.148 12.623
288 HA2 GLY 42 1HA GLY 42 15.852 0.903 12.353
289 HA3 GLY 42 2HA GLY 42 16.916 1.603 13.563
290 HA PRO 43 HA PRO 43 13.735 -0.851 15.823
291 HB2 PRO 43 1HB PRO 43 15.487 -1.870 17.628
292 HB3 PRO 43 2HB PRO 43 15.201 -2.606 16.047
293 HG2 PRO 43 1HG PRO 43 17.426 -0.805 16.924
294 HG3 PRO 43 2HG PRO 43 17.499 -2.271 15.929
295 HD2 PRO 43 1HD PRO 43 17.573 0.218 14.864
296 HD3 PRO 43 2HD PRO 43 16.838 -1.160 14.020
297 H SER 44 H SER 44 16.110 1.517 16.713
298 HA SER 44 HA SER 44 15.600 1.910 19.401
299 HB2 SER 44 1HB SER 44 17.394 3.084 18.246
300 HB3 SER 44 2HB SER 44 16.221 3.986 17.286
301 HG SER 44 HG SER 44 17.224 4.700 19.574
302 H SER 45 H SER 45 13.910 2.592 20.541
303 HA SER 45 HA SER 45 11.481 3.343 19.173
304 HB2 SER 45 1HB SER 45 11.589 1.817 21.200
305 HB3 SER 45 2HB SER 45 11.933 3.256 22.160
306 HG SER 45 HG SER 45 9.731 3.345 20.455
307 H GLY 46 H GLY 46 10.158 5.187 20.194
308 HA2 GLY 46 1HA GLY 46 11.497 7.391 21.368
309 HA3 GLY 46 2HA GLY 46 11.391 7.617 19.629
Start of MODEL 8
1 H1 GLY 1 H GLY 1 7.533 -25.244 3.627
2 HA2 GLY 1 1HA GLY 1 4.740 -25.725 3.609
3 HA3 GLY 1 2HA GLY 1 5.676 -25.141 4.977
4 H SER 2 H SER 2 3.414 -24.347 2.576
5 HA SER 2 HA SER 2 3.641 -21.486 3.251
6 HB2 SER 2 1HB SER 2 3.907 -22.389 0.777
7 HB3 SER 2 2HB SER 2 2.144 -22.396 0.827
8 HG SER 2 HG SER 2 2.551 -20.123 1.722
9 H SER 3 H SER 3 1.669 -20.298 3.497
10 HA SER 3 HA SER 3 -0.161 -21.286 5.230
11 HB2 SER 3 1HB SER 3 -1.602 -19.444 4.676
12 HB3 SER 3 2HB SER 3 0.061 -18.889 4.485
13 HG SER 3 HG SER 3 -1.699 -19.727 2.421
14 H GLY 4 H GLY 4 -2.304 -22.086 5.108
15 HA2 GLY 4 1HA GLY 4 -2.797 -23.638 2.650
16 HA3 GLY 4 2HA GLY 4 -3.363 -24.082 4.254
17 H SER 5 H SER 5 -5.521 -24.127 4.031
18 HA SER 5 HA SER 5 -7.028 -22.433 2.371
19 HB2 SER 5 1HB SER 5 -7.964 -23.910 4.843
20 HB3 SER 5 2HB SER 5 -8.984 -23.310 3.537
21 HG SER 5 HG SER 5 -6.877 -25.069 2.951
22 H SER 6 H SER 6 -8.484 -20.734 2.925
23 HA SER 6 HA SER 6 -7.372 -18.928 4.890
24 HB2 SER 6 1HB SER 6 -9.491 -18.686 2.768
25 HB3 SER 6 2HB SER 6 -9.288 -17.430 3.990
26 HG SER 6 HG SER 6 -7.995 -17.543 1.798
27 H GLY 7 H GLY 7 -7.876 -19.863 6.878
28 HA2 GLY 7 1HA GLY 7 -10.309 -20.896 7.703
29 HA3 GLY 7 2HA GLY 7 -9.147 -20.125 8.772
30 H THR 8 H THR 8 -9.230 -17.521 7.751
31 HA THR 8 HA THR 8 -11.901 -16.714 8.663
32 HB THR 8 HB THR 8 -10.831 -14.448 8.961
33 HG1 THR 8 HG1 THR 8 -8.946 -14.300 7.998
34 HG21 THR 8 3HG2 THR 8 -9.453 -16.628 10.522
35 HG22 THR 8 1HG2 THR 8 -11.132 -16.160 10.787
36 HG23 THR 8 2HG2 THR 8 -9.838 -14.993 11.059
37 H GLY 9 H GLY 9 -13.274 -15.597 7.392
38 HA2 GLY 9 1HA GLY 9 -12.986 -15.569 4.616
39 HA3 GLY 9 2HA GLY 9 -14.157 -14.616 5.515
40 H GLU 10 H GLU 10 -11.021 -14.637 4.000
41 HA GLU 10 HA GLU 10 -9.912 -12.260 4.759
42 HB2 GLU 10 1HB GLU 10 -8.873 -12.154 2.532
43 HB3 GLU 10 2HB GLU 10 -8.819 -13.779 3.201
44 HG2 GLU 10 1HG GLU 10 -10.778 -14.373 1.823
45 HG3 GLU 10 2HG GLU 10 -10.723 -12.766 1.103
46 H LYS 11 H LYS 11 -9.829 -10.164 3.609
47 HA LYS 11 HA LYS 11 -12.507 -9.384 2.656
48 HB2 LYS 11 1HB LYS 11 -10.528 -7.947 4.403
49 HB3 LYS 11 2HB LYS 11 -11.748 -7.056 3.502
50 HG2 LYS 11 1HG LYS 11 -12.449 -9.308 5.359
51 HG3 LYS 11 2HG LYS 11 -12.295 -7.636 5.903
52 HD2 LYS 11 1HD LYS 11 -14.034 -8.281 3.559
53 HD3 LYS 11 2HD LYS 11 -14.626 -8.572 5.196
54 HE2 LYS 11 1HE LYS 11 -14.269 -6.250 5.774
55 HE3 LYS 11 2HE LYS 11 -13.552 -5.938 4.194
56 HZ1 LYS 11 3HZ LYS 11 -16.285 -5.940 4.943
57 HZ2 LYS 11 1HZ LYS 11 -16.024 -7.055 3.697
58 HZ3 LYS 11 2HZ LYS 11 -15.577 -5.436 3.491
59 HA PRO 12 HA PRO 12 -10.764 -7.923 -1.098
60 HB2 PRO 12 1HB PRO 12 -12.318 -5.757 -1.613
61 HB3 PRO 12 2HB PRO 12 -12.903 -7.418 -1.765
62 HG2 PRO 12 1HG PRO 12 -13.284 -5.473 0.479
63 HG3 PRO 12 2HG PRO 12 -14.462 -6.575 -0.259
64 HD2 PRO 12 1HD PRO 12 -13.221 -7.125 2.084
65 HD3 PRO 12 2HD PRO 12 -13.699 -8.392 0.936
66 H TYR 13 H TYR 13 -10.383 -6.281 1.763
67 HA TYR 13 HA TYR 13 -8.758 -4.176 0.493
68 HB2 TYR 13 1HB TYR 13 -9.799 -4.075 3.319
69 HB3 TYR 13 2HB TYR 13 -9.176 -2.753 2.339
70 HD1 TYR 13 HD2 TYR 13 -10.555 -2.402 0.060
71 HD2 TYR 13 HD1 TYR 13 -12.081 -4.179 3.611
72 HE1 TYR 13 HE2 TYR 13 -12.842 -1.845 -0.652
73 HE2 TYR 13 HE1 TYR 13 -14.373 -3.629 2.909
74 HH TYR 13 HH TYR 13 -15.499 -3.202 0.474
75 H GLU 14 H GLU 14 -6.670 -4.658 0.540
76 HA GLU 14 HA GLU 14 -5.457 -5.518 3.040
77 HB2 GLU 14 1HB GLU 14 -6.108 -7.538 1.519
78 HB3 GLU 14 2HB GLU 14 -4.720 -7.038 0.564
79 HG2 GLU 14 1HG GLU 14 -3.265 -7.313 2.478
80 HG3 GLU 14 2HG GLU 14 -4.644 -7.734 3.491
81 H CYS 15 H CYS 15 -3.500 -4.627 3.351
82 HA CYS 15 HA CYS 15 -2.570 -2.605 1.620
83 HB2 CYS 15 1HB CYS 15 -2.183 -2.696 4.094
84 HB3 CYS 15 2HB CYS 15 -1.013 -3.983 3.816
85 H LYS 16 H LYS 16 -1.338 -2.704 -0.132
86 HA LYS 16 HA LYS 16 -0.085 -5.245 -0.838
87 HB2 LYS 16 1HB LYS 16 -1.579 -3.696 -2.368
88 HB3 LYS 16 2HB LYS 16 -0.056 -2.860 -2.640
89 HG2 LYS 16 1HG LYS 16 0.846 -4.588 -3.814
90 HG3 LYS 16 2HG LYS 16 -0.088 -5.811 -2.948
91 HD2 LYS 16 1HD LYS 16 -1.562 -3.887 -4.670
92 HD3 LYS 16 2HD LYS 16 -0.624 -5.155 -5.461
93 HE2 LYS 16 1HE LYS 16 -2.654 -5.670 -3.294
94 HE3 LYS 16 2HE LYS 16 -3.024 -5.729 -5.017
95 HZ1 LYS 16 3HZ LYS 16 -2.052 -7.713 -5.230
96 HZ2 LYS 16 1HZ LYS 16 -2.170 -7.819 -3.545
97 HZ3 LYS 16 2HZ LYS 16 -0.729 -7.297 -4.260
98 H GLU 17 H GLU 17 1.040 -3.488 1.233
99 HA GLU 17 HA GLU 17 3.649 -2.948 -0.027
100 HB2 GLU 17 1HB GLU 17 2.719 -1.539 2.456
101 HB3 GLU 17 2HB GLU 17 3.979 -1.064 1.327
102 HG2 GLU 17 1HG GLU 17 1.176 -1.219 0.350
103 HG3 GLU 17 2HG GLU 17 1.652 0.142 1.364
104 H CYS 18 H CYS 18 1.943 -4.083 2.839
105 HA CYS 18 HA CYS 18 4.388 -5.516 3.635
106 HB2 CYS 18 1HB CYS 18 3.834 -5.154 5.983
107 HB3 CYS 18 2HB CYS 18 3.999 -3.611 5.153
108 H GLY 19 H GLY 19 0.854 -5.395 3.735
109 HA2 GLY 19 1HA GLY 19 -0.339 -7.421 3.069
110 HA3 GLY 19 2HA GLY 19 0.866 -8.340 3.960
111 H LYS 20 H LYS 20 -1.893 -6.186 4.252
112 HA LYS 20 HA LYS 20 -2.640 -7.471 6.732
113 HB2 LYS 20 1HB LYS 20 -1.084 -5.561 7.345
114 HB3 LYS 20 2HB LYS 20 -2.315 -4.471 6.722
115 HG2 LYS 20 1HG LYS 20 -3.864 -5.119 8.391
116 HG3 LYS 20 2HG LYS 20 -2.855 -6.478 8.892
117 HD2 LYS 20 1HD LYS 20 -1.109 -4.849 9.588
118 HD3 LYS 20 2HD LYS 20 -2.236 -3.543 9.212
119 HE2 LYS 20 1HE LYS 20 -3.840 -4.795 10.811
120 HE3 LYS 20 2HE LYS 20 -2.382 -5.604 11.381
121 HZ1 LYS 20 3HZ LYS 20 -1.614 -3.733 12.357
122 HZ2 LYS 20 1HZ LYS 20 -3.259 -3.342 12.417
123 HZ3 LYS 20 2HZ LYS 20 -2.281 -2.698 11.197
124 H ALA 21 H ALA 21 -4.767 -7.770 6.718
125 HA ALA 21 HA ALA 21 -6.387 -6.267 4.806
126 HB1 ALA 21 3HB ALA 21 -7.220 -8.655 6.441
127 HB2 ALA 21 1HB ALA 21 -8.011 -7.996 5.009
128 HB3 ALA 21 2HB ALA 21 -6.433 -8.771 4.867
129 H PHE 22 H PHE 22 -8.316 -5.222 5.378
130 HA PHE 22 HA PHE 22 -8.768 -4.789 8.246
131 HB2 PHE 22 1HB PHE 22 -8.727 -2.578 6.183
132 HB3 PHE 22 2HB PHE 22 -9.031 -2.395 7.907
133 HD1 PHE 22 HD1 PHE 22 -6.455 -3.373 5.435
134 HD2 PHE 22 HD2 PHE 22 -7.267 -2.107 9.417
135 HE1 PHE 22 HE1 PHE 22 -4.047 -3.045 5.818
136 HE2 PHE 22 HE2 PHE 22 -4.861 -1.776 9.806
137 HZ PHE 22 HZ PHE 22 -3.247 -2.244 8.005
138 H SER 23 H SER 23 -10.846 -4.897 8.829
139 HA SER 23 HA SER 23 -12.842 -5.870 7.223
140 HB2 SER 23 1HB SER 23 -13.194 -5.953 9.562
141 HB3 SER 23 2HB SER 23 -12.980 -4.211 9.738
142 HG SER 23 HG SER 23 -15.224 -5.625 9.163
143 H GLN 24 H GLN 24 -12.190 -2.468 7.997
144 HA GLN 24 HA GLN 24 -14.092 -1.685 5.895
145 HB2 GLN 24 1HB GLN 24 -13.053 -0.247 8.325
146 HB3 GLN 24 2HB GLN 24 -13.828 0.619 7.006
147 HG2 GLN 24 1HG GLN 24 -15.204 -1.706 8.270
148 HG3 GLN 24 2HG GLN 24 -15.216 -0.132 9.063
149 HE21 GLN 24 1HE2 GLN 24 -16.293 1.588 8.088
150 HE22 GLN 24 2HE2 GLN 24 -17.457 1.347 6.834
151 H THR 25 H THR 25 -13.499 0.120 4.512
152 HA THR 25 HA THR 25 -10.867 -0.192 3.454
153 HB THR 25 HB THR 25 -12.982 1.856 2.762
154 HG1 THR 25 HG1 THR 25 -13.248 -0.603 2.439
155 HG21 THR 25 3HG2 THR 25 -10.404 2.102 2.114
156 HG22 THR 25 1HG2 THR 25 -11.702 2.565 1.014
157 HG23 THR 25 2HG2 THR 25 -10.900 1.005 0.827
158 H THR 26 H THR 26 -12.533 2.396 5.215
159 HA THR 26 HA THR 26 -10.557 4.345 5.113
160 HB THR 26 HB THR 26 -12.645 5.014 5.982
161 HG1 THR 26 HG1 THR 26 -12.024 5.988 7.900
162 HG21 THR 26 3HG2 THR 26 -12.299 2.807 8.008
163 HG22 THR 26 1HG2 THR 26 -13.539 2.939 6.761
164 HG23 THR 26 2HG2 THR 26 -13.539 4.055 8.126
165 H HIS 27 H HIS 27 -10.738 1.440 7.017
166 HA HIS 27 HA HIS 27 -8.773 2.164 8.947
167 HB2 HIS 27 1HB HIS 27 -10.160 -0.347 8.143
168 HB3 HIS 27 2HB HIS 27 -8.663 -0.497 9.059
169 HD1 HIS 27 HD1 HIS 27 -9.051 -0.647 11.485
170 HD2 HIS 27 HD2 HIS 27 -11.981 1.620 9.603
171 HE1 HIS 27 HE1 HIS 27 -10.646 0.037 13.306
172 H LEU 28 H LEU 28 -8.685 0.474 5.851
173 HA LEU 28 HA LEU 28 -5.964 -0.306 5.998
174 HB2 LEU 28 1HB LEU 28 -7.344 -1.466 4.478
175 HB3 LEU 28 2HB LEU 28 -7.897 0.027 3.723
176 HG LEU 28 HG LEU 28 -5.656 0.343 2.752
177 HD11 LEU 28 1HD1 LEU 28 -3.894 -1.085 3.063
178 HD12 LEU 28 2HD1 LEU 28 -4.928 -2.447 3.495
179 HD13 LEU 28 3HD1 LEU 28 -4.646 -1.152 4.657
180 HD21 LEU 28 3HD2 LEU 28 -7.277 -2.098 2.191
181 HD22 LEU 28 1HD2 LEU 28 -5.767 -1.842 1.317
182 HD23 LEU 28 2HD2 LEU 28 -7.056 -0.643 1.219
183 H ILE 29 H ILE 29 -7.603 2.477 4.536
184 HA ILE 29 HA ILE 29 -5.384 3.648 3.309
185 HB ILE 29 HB ILE 29 -7.779 5.038 4.517
186 HG12 ILE 29 1HG1 ILE 29 -7.329 4.271 1.632
187 HG13 ILE 29 2HG1 ILE 29 -8.194 3.238 2.766
188 HG21 ILE 29 1HG2 ILE 29 -5.718 6.435 3.991
189 HG22 ILE 29 2HG2 ILE 29 -6.032 6.059 2.297
190 HG23 ILE 29 3HG2 ILE 29 -7.234 6.937 3.243
191 HD11 ILE 29 3HD1 ILE 29 -9.137 6.012 2.652
192 HD12 ILE 29 1HD1 ILE 29 -9.357 5.078 1.172
193 HD13 ILE 29 2HD1 ILE 29 -10.042 4.499 2.691
194 H GLN 30 H GLN 30 -6.717 4.159 6.564
195 HA GLN 30 HA GLN 30 -4.931 6.132 7.402
196 HB2 GLN 30 1HB GLN 30 -6.511 4.048 8.885
197 HB3 GLN 30 2HB GLN 30 -5.447 5.160 9.737
198 HG2 GLN 30 1HG GLN 30 -7.601 6.109 7.878
199 HG3 GLN 30 2HG GLN 30 -7.895 5.789 9.586
200 HE21 GLN 30 1HE2 GLN 30 -7.444 8.199 7.548
201 HE22 GLN 30 2HE2 GLN 30 -6.603 9.331 8.545
202 H HIS 31 H HIS 31 -4.679 2.608 7.524
203 HA HIS 31 HA HIS 31 -2.313 2.450 9.027
204 HB2 HIS 31 1HB HIS 31 -3.343 0.398 8.853
205 HB3 HIS 31 2HB HIS 31 -3.759 0.629 7.157
206 HD1 HIS 31 HD1 HIS 31 -0.539 0.191 9.153
207 HD2 HIS 31 HD2 HIS 31 -2.278 -0.952 5.557
208 HE1 HIS 31 HE1 HIS 31 1.137 -1.322 8.046
209 H GLN 32 H GLN 32 -2.824 2.541 5.512
210 HA GLN 32 HA GLN 32 -0.335 2.169 4.524
211 HB2 GLN 32 1HB GLN 32 -2.210 4.376 3.654
212 HB3 GLN 32 2HB GLN 32 -0.905 3.694 2.692
213 HG2 GLN 32 1HG GLN 32 -2.213 1.450 3.158
214 HG3 GLN 32 2HG GLN 32 -3.563 2.564 3.364
215 HE21 GLN 32 1HE2 GLN 32 -2.517 0.543 1.242
216 HE22 GLN 32 2HE2 GLN 32 -2.774 1.390 -0.242
217 H ARG 33 H ARG 33 -1.409 4.867 6.428
218 HA ARG 33 HA ARG 33 0.319 6.884 5.896
219 HB2 ARG 33 1HB ARG 33 -0.488 5.841 8.615
220 HB3 ARG 33 2HB ARG 33 0.307 7.388 8.351
221 HG2 ARG 33 1HG ARG 33 -2.250 6.727 6.947
222 HG3 ARG 33 2HG ARG 33 -2.252 7.326 8.607
223 HD2 ARG 33 1HD ARG 33 -0.813 9.237 7.761
224 HD3 ARG 33 2HD ARG 33 -1.219 8.691 6.135
225 HE ARG 33 HE ARG 33 -3.613 8.979 7.488
226 HH11 ARG 33 1HH1 ARG 33 -0.949 11.005 6.532
227 HH12 ARG 33 2HH1 ARG 33 -1.918 12.435 6.388
228 HH21 ARG 33 1HH2 ARG 33 -4.900 10.853 7.302
229 HH22 ARG 33 2HH2 ARG 33 -4.165 12.347 6.828
230 H VAL 34 H VAL 34 1.061 4.006 7.838
231 HA VAL 34 HA VAL 34 3.602 4.604 8.694
232 HB VAL 34 HB VAL 34 4.031 2.264 8.888
233 HG11 VAL 34 1HG1 VAL 34 1.322 1.697 9.374
234 HG12 VAL 34 2HG1 VAL 34 2.536 2.250 10.530
235 HG13 VAL 34 3HG1 VAL 34 1.532 3.422 9.674
236 HG21 VAL 34 3HG2 VAL 34 2.479 0.604 7.790
237 HG22 VAL 34 1HG2 VAL 34 1.882 1.940 6.806
238 HG23 VAL 34 2HG2 VAL 34 3.575 1.457 6.704
239 H HIS 35 H HIS 35 2.593 3.417 5.526
240 HA HIS 35 HA HIS 35 5.330 3.308 4.569
241 HB2 HIS 35 1HB HIS 35 2.837 2.996 2.901
242 HB3 HIS 35 2HB HIS 35 4.450 2.370 2.573
243 HD1 HIS 35 HD1 HIS 35 5.239 0.622 4.673
244 HD2 HIS 35 HD2 HIS 35 1.204 1.046 3.780
245 HE1 HIS 35 HE1 HIS 35 4.123 -1.425 5.615
246 H THR 36 H THR 36 2.518 5.382 4.313
247 HA THR 36 HA THR 36 4.180 7.355 2.898
248 HB THR 36 HB THR 36 2.776 6.661 1.159
249 HG1 THR 36 HG1 THR 36 1.081 8.435 1.164
250 HG21 THR 36 3HG2 THR 36 0.366 6.789 2.964
251 HG22 THR 36 1HG2 THR 36 1.282 5.308 2.685
252 HG23 THR 36 2HG2 THR 36 0.470 6.110 1.340
253 H GLY 37 H GLY 37 4.489 8.115 5.136
254 HA2 GLY 37 1HA GLY 37 2.184 9.272 6.467
255 HA3 GLY 37 2HA GLY 37 3.845 9.295 7.042
256 H GLU 38 H GLU 38 4.381 11.356 7.355
257 HA GLU 38 HA GLU 38 3.331 13.456 5.678
258 HB2 GLU 38 1HB GLU 38 3.885 13.506 8.238
259 HB3 GLU 38 2HB GLU 38 5.512 13.880 7.686
260 HG2 GLU 38 1HG GLU 38 4.764 15.863 6.593
261 HG3 GLU 38 2HG GLU 38 3.076 15.448 6.885
262 H LYS 39 H LYS 39 4.710 11.778 4.063
263 HA LYS 39 HA LYS 39 7.149 13.308 3.434
264 HB2 LYS 39 1HB LYS 39 8.167 11.292 2.563
265 HB3 LYS 39 2HB LYS 39 7.655 11.014 4.222
266 HG2 LYS 39 1HG LYS 39 6.902 9.095 3.278
267 HG3 LYS 39 2HG LYS 39 5.481 10.109 3.017
268 HD2 LYS 39 1HD LYS 39 5.742 9.266 0.909
269 HD3 LYS 39 2HD LYS 39 6.762 10.701 0.778
270 HE2 LYS 39 1HE LYS 39 8.182 9.116 -0.063
271 HE3 LYS 39 2HE LYS 39 8.619 9.049 1.644
272 HZ1 LYS 39 3HZ LYS 39 8.165 6.868 0.401
273 HZ2 LYS 39 1HZ LYS 39 6.530 7.271 0.565
274 HZ3 LYS 39 2HZ LYS 39 7.492 7.068 1.940
275 HA PRO 40 HA PRO 40 5.291 14.197 -0.454
276 HB2 PRO 40 1HB PRO 40 7.529 14.679 -1.913
277 HB3 PRO 40 2HB PRO 40 6.915 15.804 -0.696
278 HG2 PRO 40 1HG PRO 40 9.122 13.795 -0.474
279 HG3 PRO 40 2HG PRO 40 9.068 15.467 0.115
280 HD2 PRO 40 1HD PRO 40 8.648 13.337 1.734
281 HD3 PRO 40 2HD PRO 40 7.845 14.900 1.985
282 H SER 41 H SER 41 4.646 13.100 -2.232
283 HA SER 41 HA SER 41 6.080 10.605 -2.867
284 HB2 SER 41 1HB SER 41 3.146 11.260 -3.235
285 HB3 SER 41 2HB SER 41 3.916 9.738 -3.681
286 HG SER 41 HG SER 41 2.833 10.215 -1.422
287 H GLY 42 H GLY 42 7.472 11.846 -4.289
288 HA2 GLY 42 1HA GLY 42 8.015 12.021 -6.573
289 HA3 GLY 42 2HA GLY 42 6.300 12.049 -6.956
290 HA PRO 43 HA PRO 43 8.334 16.405 -6.560
291 HB2 PRO 43 1HB PRO 43 9.308 16.779 -9.066
292 HB3 PRO 43 2HB PRO 43 10.281 16.119 -7.746
293 HG2 PRO 43 1HG PRO 43 8.873 14.683 -9.964
294 HG3 PRO 43 2HG PRO 43 10.496 14.406 -9.304
295 HD2 PRO 43 1HD PRO 43 8.370 12.870 -8.634
296 HD3 PRO 43 2HD PRO 43 9.697 13.208 -7.504
297 H SER 44 H SER 44 7.045 15.086 -9.619
298 HA SER 44 HA SER 44 4.617 16.557 -9.415
299 HB2 SER 44 1HB SER 44 4.992 17.990 -11.438
300 HB3 SER 44 2HB SER 44 5.969 18.455 -10.045
301 HG SER 44 HG SER 44 7.746 17.745 -11.026
302 H SER 45 H SER 45 3.189 16.186 -11.245
303 HA SER 45 HA SER 45 3.867 13.679 -12.618
304 HB2 SER 45 1HB SER 45 1.261 14.921 -11.775
305 HB3 SER 45 2HB SER 45 1.302 13.675 -13.022
306 HG SER 45 HG SER 45 1.948 12.214 -11.573
307 H GLY 46 H GLY 46 4.746 14.117 -14.551
308 HA2 GLY 46 1HA GLY 46 4.251 14.536 -16.870
309 HA3 GLY 46 2HA GLY 46 3.195 15.846 -16.364
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -18.025 -27.177 -9.093
2 HA2 GLY 1 1HA GLY 1 -17.335 -29.784 -8.039
3 HA3 GLY 1 2HA GLY 1 -15.979 -28.891 -8.710
4 H SER 2 H SER 2 -17.320 -29.659 -5.901
5 HA SER 2 HA SER 2 -16.147 -27.385 -4.549
6 HB2 SER 2 1HB SER 2 -19.094 -27.896 -4.595
7 HB3 SER 2 2HB SER 2 -18.361 -27.289 -3.110
8 HG SER 2 HG SER 2 -18.243 -26.093 -5.682
9 H SER 3 H SER 3 -15.442 -27.865 -2.507
10 HA SER 3 HA SER 3 -16.041 -30.573 -1.509
11 HB2 SER 3 1HB SER 3 -13.700 -30.651 -0.653
12 HB3 SER 3 2HB SER 3 -13.788 -30.569 -2.412
13 HG SER 3 HG SER 3 -13.585 -28.190 -0.943
14 H GLY 4 H GLY 4 -16.228 -27.306 -0.918
15 HA2 GLY 4 1HA GLY 4 -17.432 -26.613 1.076
16 HA3 GLY 4 2HA GLY 4 -16.503 -27.800 1.979
17 H SER 5 H SER 5 -16.847 -24.601 1.500
18 HA SER 5 HA SER 5 -14.090 -23.798 1.400
19 HB2 SER 5 1HB SER 5 -15.791 -22.321 0.484
20 HB3 SER 5 2HB SER 5 -16.601 -22.236 2.048
21 HG SER 5 HG SER 5 -15.177 -20.826 2.709
22 H SER 6 H SER 6 -12.842 -24.363 3.076
23 HA SER 6 HA SER 6 -13.781 -24.605 5.748
24 HB2 SER 6 1HB SER 6 -10.946 -24.415 4.700
25 HB3 SER 6 2HB SER 6 -11.401 -24.920 6.327
26 HG SER 6 HG SER 6 -11.947 -26.818 5.585
27 H GLY 7 H GLY 7 -11.744 -22.186 4.113
28 HA2 GLY 7 1HA GLY 7 -12.813 -20.011 5.549
29 HA3 GLY 7 2HA GLY 7 -11.320 -20.520 6.324
30 H THR 8 H THR 8 -12.475 -20.004 2.987
31 HA THR 8 HA THR 8 -9.913 -18.681 2.406
32 HB THR 8 HB THR 8 -11.895 -19.616 0.338
33 HG1 THR 8 HG1 THR 8 -9.745 -21.078 1.513
34 HG21 THR 8 3HG2 THR 8 -10.348 -18.260 -0.722
35 HG22 THR 8 1HG2 THR 8 -9.602 -19.848 -0.892
36 HG23 THR 8 2HG2 THR 8 -9.036 -18.736 0.354
37 H GLY 9 H GLY 9 -11.772 -17.184 3.813
38 HA2 GLY 9 1HA GLY 9 -12.970 -15.417 1.783
39 HA3 GLY 9 2HA GLY 9 -13.449 -15.491 3.472
40 H GLU 10 H GLU 10 -11.452 -13.974 1.164
41 HA GLU 10 HA GLU 10 -9.912 -12.604 3.256
42 HB2 GLU 10 1HB GLU 10 -8.426 -11.869 1.457
43 HB3 GLU 10 2HB GLU 10 -8.587 -13.620 1.468
44 HG2 GLU 10 1HG GLU 10 -10.395 -13.270 -0.313
45 HG3 GLU 10 2HG GLU 10 -9.731 -11.644 -0.467
46 H LYS 11 H LYS 11 -9.754 -10.323 3.269
47 HA LYS 11 HA LYS 11 -12.204 -9.009 2.496
48 HB2 LYS 11 1HB LYS 11 -9.742 -8.080 3.972
49 HB3 LYS 11 2HB LYS 11 -11.082 -7.008 3.590
50 HG2 LYS 11 1HG LYS 11 -11.653 -7.633 5.704
51 HG3 LYS 11 2HG LYS 11 -12.493 -8.879 4.778
52 HD2 LYS 11 1HD LYS 11 -10.790 -10.476 5.224
53 HD3 LYS 11 2HD LYS 11 -9.711 -9.240 5.875
54 HE2 LYS 11 1HE LYS 11 -10.540 -10.262 7.786
55 HE3 LYS 11 2HE LYS 11 -11.583 -8.852 7.611
56 HZ1 LYS 11 3HZ LYS 11 -12.277 -11.567 6.634
57 HZ2 LYS 11 1HZ LYS 11 -13.287 -10.210 6.664
58 HZ3 LYS 11 2HZ LYS 11 -12.793 -10.929 8.113
59 HA PRO 12 HA PRO 12 -10.812 -7.312 -1.319
60 HB2 PRO 12 1HB PRO 12 -12.466 -5.164 -1.468
61 HB3 PRO 12 2HB PRO 12 -13.018 -6.821 -1.734
62 HG2 PRO 12 1HG PRO 12 -13.239 -5.122 0.720
63 HG3 PRO 12 2HG PRO 12 -14.450 -6.187 -0.015
64 HD2 PRO 12 1HD PRO 12 -12.980 -6.920 2.138
65 HD3 PRO 12 2HD PRO 12 -13.529 -8.085 0.915
66 H TYR 13 H TYR 13 -10.285 -5.886 1.661
67 HA TYR 13 HA TYR 13 -8.667 -3.749 0.437
68 HB2 TYR 13 1HB TYR 13 -9.787 -3.551 3.220
69 HB3 TYR 13 2HB TYR 13 -9.191 -2.263 2.178
70 HD1 TYR 13 HD2 TYR 13 -10.582 -2.324 -0.226
71 HD2 TYR 13 HD1 TYR 13 -12.048 -3.437 3.610
72 HE1 TYR 13 HE2 TYR 13 -12.879 -1.864 -0.977
73 HE2 TYR 13 HE1 TYR 13 -14.349 -2.982 2.869
74 HH TYR 13 HH TYR 13 -15.369 -2.892 -0.013
75 H GLU 14 H GLU 14 -6.578 -4.161 0.642
76 HA GLU 14 HA GLU 14 -5.520 -5.050 3.200
77 HB2 GLU 14 1HB GLU 14 -6.038 -7.096 1.767
78 HB3 GLU 14 2HB GLU 14 -4.757 -6.546 0.697
79 HG2 GLU 14 1HG GLU 14 -3.178 -6.649 2.590
80 HG3 GLU 14 2HG GLU 14 -4.471 -7.300 3.596
81 H CYS 15 H CYS 15 -3.184 -4.826 3.343
82 HA CYS 15 HA CYS 15 -2.253 -2.600 1.697
83 HB2 CYS 15 1HB CYS 15 -2.146 -2.456 4.188
84 HB3 CYS 15 2HB CYS 15 -0.994 -3.788 4.177
85 H LYS 16 H LYS 16 -1.183 -3.121 -0.088
86 HA LYS 16 HA LYS 16 0.104 -5.633 -0.472
87 HB2 LYS 16 1HB LYS 16 -0.242 -3.134 -2.049
88 HB3 LYS 16 2HB LYS 16 1.081 -4.199 -2.506
89 HG2 LYS 16 1HG LYS 16 -0.839 -6.022 -2.377
90 HG3 LYS 16 2HG LYS 16 -1.846 -4.610 -2.707
91 HD2 LYS 16 1HD LYS 16 -1.376 -5.238 -4.850
92 HD3 LYS 16 2HD LYS 16 0.008 -4.183 -4.554
93 HE2 LYS 16 1HE LYS 16 1.292 -6.213 -3.848
94 HE3 LYS 16 2HE LYS 16 -0.072 -7.191 -4.387
95 HZ1 LYS 16 3HZ LYS 16 1.883 -6.769 -5.987
96 HZ2 LYS 16 1HZ LYS 16 1.169 -5.254 -6.224
97 HZ3 LYS 16 2HZ LYS 16 0.304 -6.662 -6.584
98 H GLU 17 H GLU 17 1.084 -2.659 0.902
99 HA GLU 17 HA GLU 17 3.851 -2.746 0.344
100 HB2 GLU 17 1HB GLU 17 2.534 -1.552 2.786
101 HB3 GLU 17 2HB GLU 17 4.097 -1.120 2.108
102 HG2 GLU 17 1HG GLU 17 1.650 -0.836 0.434
103 HG3 GLU 17 2HG GLU 17 2.003 0.367 1.673
104 H CYS 18 H CYS 18 2.026 -3.756 3.234
105 HA CYS 18 HA CYS 18 4.328 -5.428 3.995
106 HB2 CYS 18 1HB CYS 18 3.558 -5.276 6.293
107 HB3 CYS 18 2HB CYS 18 3.732 -3.657 5.623
108 H GLY 19 H GLY 19 0.781 -5.329 3.881
109 HA2 GLY 19 1HA GLY 19 -0.349 -7.262 2.891
110 HA3 GLY 19 2HA GLY 19 0.818 -8.279 3.723
111 H LYS 20 H LYS 20 -1.690 -5.844 4.398
112 HA LYS 20 HA LYS 20 -2.640 -7.545 6.587
113 HB2 LYS 20 1HB LYS 20 -1.106 -5.574 7.330
114 HB3 LYS 20 2HB LYS 20 -2.505 -4.571 6.970
115 HG2 LYS 20 1HG LYS 20 -3.801 -5.588 8.641
116 HG3 LYS 20 2HG LYS 20 -2.677 -6.939 8.805
117 HD2 LYS 20 1HD LYS 20 -1.049 -5.570 9.857
118 HD3 LYS 20 2HD LYS 20 -1.919 -4.093 9.434
119 HE2 LYS 20 1HE LYS 20 -2.577 -4.299 11.606
120 HE3 LYS 20 2HE LYS 20 -3.837 -5.262 10.836
121 HZ1 LYS 20 3HZ LYS 20 -1.337 -6.401 11.958
122 HZ2 LYS 20 1HZ LYS 20 -2.681 -7.255 11.389
123 HZ3 LYS 20 2HZ LYS 20 -2.803 -6.329 12.799
124 H ALA 21 H ALA 21 -4.750 -7.887 6.416
125 HA ALA 21 HA ALA 21 -6.326 -6.155 4.662
126 HB1 ALA 21 3HB ALA 21 -6.209 -8.906 4.952
127 HB2 ALA 21 1HB ALA 21 -7.728 -8.457 5.726
128 HB3 ALA 21 2HB ALA 21 -7.421 -7.995 4.052
129 H PHE 22 H PHE 22 -8.127 -5.052 5.318
130 HA PHE 22 HA PHE 22 -8.744 -5.114 8.197
131 HB2 PHE 22 1HB PHE 22 -8.702 -2.679 6.402
132 HB3 PHE 22 2HB PHE 22 -9.162 -2.693 8.101
133 HD1 PHE 22 HD1 PHE 22 -6.348 -3.213 5.767
134 HD2 PHE 22 HD2 PHE 22 -7.541 -2.587 9.804
135 HE1 PHE 22 HE1 PHE 22 -4.000 -2.835 6.398
136 HE2 PHE 22 HE2 PHE 22 -5.196 -2.206 10.442
137 HZ PHE 22 HZ PHE 22 -3.422 -2.329 8.738
138 H SER 23 H SER 23 -10.893 -4.868 8.795
139 HA SER 23 HA SER 23 -12.824 -5.934 7.084
140 HB2 SER 23 1HB SER 23 -13.193 -6.106 9.431
141 HB3 SER 23 2HB SER 23 -13.069 -4.360 9.650
142 HG SER 23 HG SER 23 -15.034 -4.100 8.681
143 H GLN 24 H GLN 24 -12.197 -2.566 8.005
144 HA GLN 24 HA GLN 24 -14.000 -1.717 5.836
145 HB2 GLN 24 1HB GLN 24 -13.223 -0.330 8.402
146 HB3 GLN 24 2HB GLN 24 -14.066 0.480 7.088
147 HG2 GLN 24 1HG GLN 24 -15.753 -1.495 7.342
148 HG3 GLN 24 2HG GLN 24 -15.040 -1.629 8.948
149 HE21 GLN 24 1HE2 GLN 24 -14.718 0.739 9.903
150 HE22 GLN 24 2HE2 GLN 24 -16.167 1.681 9.899
151 H THR 25 H THR 25 -13.287 -0.277 4.317
152 HA THR 25 HA THR 25 -10.618 -0.254 3.589
153 HB THR 25 HB THR 25 -12.591 1.930 2.904
154 HG1 THR 25 HG1 THR 25 -12.748 0.353 0.974
155 HG21 THR 25 3HG2 THR 25 -10.652 0.916 0.929
156 HG22 THR 25 1HG2 THR 25 -9.960 1.806 2.285
157 HG23 THR 25 2HG2 THR 25 -11.177 2.567 1.259
158 H THR 26 H THR 26 -12.442 2.234 5.351
159 HA THR 26 HA THR 26 -10.608 4.239 5.559
160 HB THR 26 HB THR 26 -11.554 4.703 7.852
161 HG1 THR 26 HG1 THR 26 -12.836 3.259 8.774
162 HG21 THR 26 3HG2 THR 26 -12.584 5.299 5.520
163 HG22 THR 26 1HG2 THR 26 -13.522 5.552 6.991
164 HG23 THR 26 2HG2 THR 26 -13.820 4.132 5.988
165 H HIS 27 H HIS 27 -10.691 1.243 7.432
166 HA HIS 27 HA HIS 27 -8.641 1.869 9.246
167 HB2 HIS 27 1HB HIS 27 -9.700 -0.745 8.185
168 HB3 HIS 27 2HB HIS 27 -8.390 -0.683 9.362
169 HD1 HIS 27 HD1 HIS 27 -11.228 -1.924 9.923
170 HD2 HIS 27 HD2 HIS 27 -9.986 1.882 11.031
171 HE1 HIS 27 HE1 HIS 27 -12.694 -1.277 11.860
172 H LEU 28 H LEU 28 -8.560 0.414 6.027
173 HA LEU 28 HA LEU 28 -5.768 -0.144 6.056
174 HB2 LEU 28 1HB LEU 28 -7.059 -1.406 4.557
175 HB3 LEU 28 2HB LEU 28 -7.841 0.028 3.894
176 HG LEU 28 HG LEU 28 -5.606 0.652 2.908
177 HD11 LEU 28 1HD1 LEU 28 -4.622 -1.295 4.541
178 HD12 LEU 28 2HD1 LEU 28 -3.784 -0.625 3.142
179 HD13 LEU 28 3HD1 LEU 28 -4.696 -2.127 2.987
180 HD21 LEU 28 3HD2 LEU 28 -7.619 -0.913 1.943
181 HD22 LEU 28 1HD2 LEU 28 -6.208 -1.939 1.685
182 HD23 LEU 28 2HD2 LEU 28 -6.256 -0.317 0.994
183 H ILE 29 H ILE 29 -7.669 2.357 4.364
184 HA ILE 29 HA ILE 29 -5.718 3.803 3.158
185 HB ILE 29 HB ILE 29 -8.134 4.850 4.628
186 HG12 ILE 29 1HG1 ILE 29 -7.635 4.528 1.664
187 HG13 ILE 29 2HG1 ILE 29 -8.445 3.317 2.653
188 HG21 ILE 29 1HG2 ILE 29 -6.645 6.691 4.511
189 HG22 ILE 29 2HG2 ILE 29 -6.180 6.296 2.857
190 HG23 ILE 29 3HG2 ILE 29 -7.803 6.896 3.196
191 HD11 ILE 29 3HD1 ILE 29 -9.377 6.131 2.142
192 HD12 ILE 29 1HD1 ILE 29 -10.069 4.649 1.482
193 HD13 ILE 29 2HD1 ILE 29 -10.173 4.976 3.212
194 H GLN 30 H GLN 30 -6.729 4.182 6.550
195 HA GLN 30 HA GLN 30 -4.869 6.197 7.192
196 HB2 GLN 30 1HB GLN 30 -6.388 4.205 8.862
197 HB3 GLN 30 2HB GLN 30 -5.279 5.363 9.583
198 HG2 GLN 30 1HG GLN 30 -6.580 7.202 8.830
199 HG3 GLN 30 2HG GLN 30 -7.586 6.156 7.830
200 HE21 GLN 30 1HE2 GLN 30 -8.038 8.012 10.210
201 HE22 GLN 30 2HE2 GLN 30 -9.011 7.069 11.282
202 H HIS 31 H HIS 31 -4.733 2.671 7.481
203 HA HIS 31 HA HIS 31 -2.280 2.490 8.824
204 HB2 HIS 31 1HB HIS 31 -3.510 0.505 8.765
205 HB3 HIS 31 2HB HIS 31 -3.806 0.625 7.033
206 HD1 HIS 31 HD1 HIS 31 -1.322 -0.591 9.523
207 HD2 HIS 31 HD2 HIS 31 -1.714 -0.319 5.395
208 HE1 HIS 31 HE1 HIS 31 0.502 -2.042 8.577
209 H GLN 32 H GLN 32 -3.034 2.655 5.373
210 HA GLN 32 HA GLN 32 -0.599 2.097 4.247
211 HB2 GLN 32 1HB GLN 32 -2.701 4.107 3.462
212 HB3 GLN 32 2HB GLN 32 -1.271 3.823 2.478
213 HG2 GLN 32 1HG GLN 32 -2.053 1.313 2.693
214 HG3 GLN 32 2HG GLN 32 -3.617 2.077 2.970
215 HE21 GLN 32 1HE2 GLN 32 -2.672 0.435 0.737
216 HE22 GLN 32 2HE2 GLN 32 -2.899 1.393 -0.683
217 H ARG 33 H ARG 33 -1.519 4.897 6.084
218 HA ARG 33 HA ARG 33 0.368 6.760 5.291
219 HB2 ARG 33 1HB ARG 33 -0.676 6.241 8.081
220 HB3 ARG 33 2HB ARG 33 0.159 7.701 7.569
221 HG2 ARG 33 1HG ARG 33 -2.288 6.846 6.103
222 HG3 ARG 33 2HG ARG 33 -2.449 7.618 7.682
223 HD2 ARG 33 1HD ARG 33 -0.835 9.392 6.690
224 HD3 ARG 33 2HD ARG 33 -1.332 8.723 5.136
225 HE ARG 33 HE ARG 33 -3.685 9.209 6.369
226 HH11 ARG 33 1HH1 ARG 33 -0.855 11.152 5.790
227 HH12 ARG 33 2HH1 ARG 33 -1.735 12.643 5.708
228 HH21 ARG 33 1HH2 ARG 33 -4.855 11.164 6.263
229 HH22 ARG 33 2HH2 ARG 33 -4.010 12.648 5.978
230 H VAL 34 H VAL 34 0.711 4.026 7.488
231 HA VAL 34 HA VAL 34 3.253 4.635 8.507
232 HB VAL 34 HB VAL 34 3.440 2.268 9.078
233 HG11 VAL 34 1HG1 VAL 34 1.094 2.057 10.185
234 HG12 VAL 34 2HG1 VAL 34 2.173 3.367 10.668
235 HG13 VAL 34 3HG1 VAL 34 0.849 3.682 9.546
236 HG21 VAL 34 3HG2 VAL 34 1.651 1.971 6.839
237 HG22 VAL 34 1HG2 VAL 34 2.607 0.751 7.681
238 HG23 VAL 34 2HG2 VAL 34 0.999 1.173 8.271
239 H HIS 35 H HIS 35 2.337 3.860 5.368
240 HA HIS 35 HA HIS 35 5.074 3.000 4.694
241 HB2 HIS 35 1HB HIS 35 2.508 2.444 3.190
242 HB3 HIS 35 2HB HIS 35 4.117 1.930 2.692
243 HD1 HIS 35 HD1 HIS 35 5.332 0.475 4.831
244 HD2 HIS 35 HD2 HIS 35 1.201 0.423 4.392
245 HE1 HIS 35 HE1 HIS 35 4.551 -1.575 6.062
246 H THR 36 H THR 36 3.796 5.734 4.967
247 HA THR 36 HA THR 36 4.241 6.707 2.225
248 HB THR 36 HB THR 36 2.991 8.688 2.802
249 HG1 THR 36 HG1 THR 36 1.943 8.480 5.060
250 HG21 THR 36 3HG2 THR 36 1.565 6.213 3.786
251 HG22 THR 36 1HG2 THR 36 1.679 6.746 2.109
252 HG23 THR 36 2HG2 THR 36 0.789 7.714 3.284
253 H GLY 37 H GLY 37 4.998 7.383 5.629
254 HA2 GLY 37 1HA GLY 37 6.601 9.592 5.409
255 HA3 GLY 37 2HA GLY 37 6.888 8.303 6.569
256 H GLU 38 H GLU 38 8.782 10.006 5.076
257 HA GLU 38 HA GLU 38 10.056 8.244 3.174
258 HB2 GLU 38 1HB GLU 38 11.664 10.006 2.870
259 HB3 GLU 38 2HB GLU 38 10.060 10.723 2.918
260 HG2 GLU 38 1HG GLU 38 10.466 11.256 5.327
261 HG3 GLU 38 2HG GLU 38 12.131 10.729 5.095
262 H LYS 39 H LYS 39 11.876 7.043 3.466
263 HA LYS 39 HA LYS 39 13.540 7.268 5.778
264 HB2 LYS 39 1HB LYS 39 11.407 5.185 5.676
265 HB3 LYS 39 2HB LYS 39 12.972 4.738 6.342
266 HG2 LYS 39 1HG LYS 39 12.651 6.913 7.761
267 HG3 LYS 39 2HG LYS 39 10.947 6.659 7.378
268 HD2 LYS 39 1HD LYS 39 11.277 5.541 9.415
269 HD3 LYS 39 2HD LYS 39 11.298 4.265 8.195
270 HE2 LYS 39 1HE LYS 39 13.719 4.229 8.232
271 HE3 LYS 39 2HE LYS 39 13.748 5.580 9.365
272 HZ1 LYS 39 3HZ LYS 39 13.796 4.024 10.937
273 HZ2 LYS 39 1HZ LYS 39 13.358 2.786 9.870
274 HZ3 LYS 39 2HZ LYS 39 12.164 3.743 10.591
275 HA PRO 40 HA PRO 40 16.413 5.226 3.165
276 HB2 PRO 40 1HB PRO 40 17.936 3.849 4.942
277 HB3 PRO 40 2HB PRO 40 18.005 5.608 4.777
278 HG2 PRO 40 1HG PRO 40 16.545 3.949 6.797
279 HG3 PRO 40 2HG PRO 40 17.488 5.431 7.038
280 HD2 PRO 40 1HD PRO 40 14.783 5.430 6.920
281 HD3 PRO 40 2HD PRO 40 15.763 6.793 6.342
282 H SER 41 H SER 41 14.072 3.512 4.833
283 HA SER 41 HA SER 41 14.874 0.840 4.450
284 HB2 SER 41 1HB SER 41 12.864 1.902 5.804
285 HB3 SER 41 2HB SER 41 11.980 1.584 4.312
286 HG SER 41 HG SER 41 13.565 -0.472 5.317
287 H GLY 42 H GLY 42 15.210 -0.212 2.615
288 HA2 GLY 42 1HA GLY 42 13.394 -0.436 0.519
289 HA3 GLY 42 2HA GLY 42 14.517 0.841 0.076
290 HA PRO 43 HA PRO 43 17.099 -3.245 0.477
291 HB2 PRO 43 1HB PRO 43 15.663 -5.545 0.593
292 HB3 PRO 43 2HB PRO 43 16.168 -4.654 2.033
293 HG2 PRO 43 1HG PRO 43 13.519 -4.656 0.639
294 HG3 PRO 43 2HG PRO 43 13.868 -4.710 2.376
295 HD2 PRO 43 1HD PRO 43 13.132 -2.434 1.109
296 HD3 PRO 43 2HD PRO 43 14.233 -2.438 2.502
297 H SER 44 H SER 44 13.950 -3.894 -1.075
298 HA SER 44 HA SER 44 15.058 -3.728 -3.701
299 HB2 SER 44 1HB SER 44 15.658 -6.095 -2.671
300 HB3 SER 44 2HB SER 44 13.996 -6.463 -3.131
301 HG SER 44 HG SER 44 14.488 -6.126 -5.230
302 H SER 45 H SER 45 13.425 -4.183 -5.382
303 HA SER 45 HA SER 45 10.685 -3.870 -4.341
304 HB2 SER 45 1HB SER 45 10.207 -2.417 -6.278
305 HB3 SER 45 2HB SER 45 11.494 -1.752 -5.273
306 HG SER 45 HG SER 45 11.979 -3.331 -7.576
307 H GLY 46 H GLY 46 12.786 -5.703 -6.221
308 HA2 GLY 46 1HA GLY 46 12.043 -7.861 -7.004
309 HA3 GLY 46 2HA GLY 46 10.497 -7.131 -7.408
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -5.855 -20.546 -16.615
2 HA2 GLY 1 1HA GLY 1 -5.782 -22.660 -15.129
3 HA3 GLY 1 2HA GLY 1 -6.204 -21.146 -14.341
4 H SER 2 H SER 2 -7.055 -23.276 -13.065
5 HA SER 2 HA SER 2 -9.753 -23.946 -13.946
6 HB2 SER 2 1HB SER 2 -9.702 -25.471 -11.928
7 HB3 SER 2 2HB SER 2 -8.487 -25.820 -13.158
8 HG SER 2 HG SER 2 -7.776 -24.059 -11.121
9 H SER 3 H SER 3 -11.106 -22.278 -13.558
10 HA SER 3 HA SER 3 -10.984 -20.430 -11.497
11 HB2 SER 3 1HB SER 3 -13.181 -21.419 -13.268
12 HB3 SER 3 2HB SER 3 -13.594 -20.370 -11.912
13 HG SER 3 HG SER 3 -12.779 -19.588 -14.228
14 H GLY 4 H GLY 4 -11.603 -20.377 -9.407
15 HA2 GLY 4 1HA GLY 4 -13.442 -21.413 -7.901
16 HA3 GLY 4 2HA GLY 4 -12.580 -22.902 -8.261
17 H SER 5 H SER 5 -12.734 -20.140 -6.279
18 HA SER 5 HA SER 5 -10.504 -21.130 -4.698
19 HB2 SER 5 1HB SER 5 -9.426 -19.519 -6.196
20 HB3 SER 5 2HB SER 5 -10.596 -18.284 -5.733
21 HG SER 5 HG SER 5 -9.787 -18.586 -3.542
22 H SER 6 H SER 6 -10.542 -20.439 -2.528
23 HA SER 6 HA SER 6 -13.186 -19.696 -1.608
24 HB2 SER 6 1HB SER 6 -10.696 -20.378 -0.025
25 HB3 SER 6 2HB SER 6 -12.325 -20.215 0.630
26 HG SER 6 HG SER 6 -12.923 -21.960 -0.795
27 H GLY 7 H GLY 7 -13.658 -17.586 -1.683
28 HA2 GLY 7 1HA GLY 7 -11.629 -15.568 -1.261
29 HA3 GLY 7 2HA GLY 7 -13.326 -15.286 -1.621
30 H THR 8 H THR 8 -14.675 -16.440 0.373
31 HA THR 8 HA THR 8 -14.793 -14.686 2.406
32 HB THR 8 HB THR 8 -16.391 -16.526 2.174
33 HG1 THR 8 HG1 THR 8 -15.996 -15.404 4.261
34 HG21 THR 8 3HG2 THR 8 -14.084 -18.140 2.273
35 HG22 THR 8 1HG2 THR 8 -15.760 -18.661 2.102
36 HG23 THR 8 2HG2 THR 8 -15.034 -18.536 3.705
37 H GLY 9 H GLY 9 -13.587 -14.056 4.085
38 HA2 GLY 9 1HA GLY 9 -12.228 -15.128 5.997
39 HA3 GLY 9 2HA GLY 9 -11.168 -15.621 4.686
40 H GLU 10 H GLU 10 -10.483 -13.736 3.220
41 HA GLU 10 HA GLU 10 -9.665 -11.523 4.975
42 HB2 GLU 10 1HB GLU 10 -8.387 -12.827 2.594
43 HB3 GLU 10 2HB GLU 10 -7.944 -11.188 3.050
44 HG2 GLU 10 1HG GLU 10 -7.108 -11.890 5.141
45 HG3 GLU 10 2HG GLU 10 -7.833 -13.488 4.975
46 H LYS 11 H LYS 11 -10.835 -9.746 4.723
47 HA LYS 11 HA LYS 11 -12.651 -9.142 2.779
48 HB2 LYS 11 1HB LYS 11 -11.031 -7.495 4.653
49 HB3 LYS 11 2HB LYS 11 -11.879 -6.651 3.364
50 HG2 LYS 11 1HG LYS 11 -13.373 -6.594 5.137
51 HG3 LYS 11 2HG LYS 11 -13.952 -7.941 4.154
52 HD2 LYS 11 1HD LYS 11 -11.988 -8.525 6.308
53 HD3 LYS 11 2HD LYS 11 -13.648 -8.152 6.779
54 HE2 LYS 11 1HE LYS 11 -14.257 -9.897 4.937
55 HE3 LYS 11 2HE LYS 11 -12.596 -10.440 5.169
56 HZ1 LYS 11 3HZ LYS 11 -13.152 -10.585 7.598
57 HZ2 LYS 11 1HZ LYS 11 -13.928 -11.716 6.608
58 HZ3 LYS 11 2HZ LYS 11 -14.775 -10.366 7.174
59 HA PRO 12 HA PRO 12 -10.593 -8.042 -0.937
60 HB2 PRO 12 1HB PRO 12 -12.077 -5.949 -1.824
61 HB3 PRO 12 2HB PRO 12 -12.661 -7.617 -1.843
62 HG2 PRO 12 1HG PRO 12 -13.223 -5.436 0.129
63 HG3 PRO 12 2HG PRO 12 -14.340 -6.615 -0.584
64 HD2 PRO 12 1HD PRO 12 -13.316 -6.901 1.906
65 HD3 PRO 12 2HD PRO 12 -13.701 -8.288 0.867
66 H TYR 13 H TYR 13 -10.446 -6.100 1.749
67 HA TYR 13 HA TYR 13 -8.777 -4.082 0.404
68 HB2 TYR 13 1HB TYR 13 -9.819 -3.833 3.215
69 HB3 TYR 13 2HB TYR 13 -9.280 -2.560 2.125
70 HD1 TYR 13 HD2 TYR 13 -10.747 -2.900 -0.286
71 HD2 TYR 13 HD1 TYR 13 -12.055 -3.574 3.706
72 HE1 TYR 13 HE2 TYR 13 -13.072 -2.511 -0.988
73 HE2 TYR 13 HE1 TYR 13 -14.384 -3.188 3.015
74 HH TYR 13 HH TYR 13 -15.701 -3.380 0.798
75 H GLU 14 H GLU 14 -6.692 -4.582 0.484
76 HA GLU 14 HA GLU 14 -5.546 -5.405 3.051
77 HB2 GLU 14 1HB GLU 14 -5.965 -7.360 1.389
78 HB3 GLU 14 2HB GLU 14 -4.594 -6.694 0.513
79 HG2 GLU 14 1HG GLU 14 -3.227 -6.918 2.557
80 HG3 GLU 14 2HG GLU 14 -4.599 -7.685 3.354
81 H CYS 15 H CYS 15 -3.251 -5.005 3.230
82 HA CYS 15 HA CYS 15 -2.467 -2.649 1.698
83 HB2 CYS 15 1HB CYS 15 -2.370 -2.803 4.256
84 HB3 CYS 15 2HB CYS 15 -0.969 -3.844 4.025
85 H LYS 16 H LYS 16 -2.049 -3.889 -0.253
86 HA LYS 16 HA LYS 16 -0.368 -5.983 -0.648
87 HB2 LYS 16 1HB LYS 16 0.119 -5.083 -2.859
88 HB3 LYS 16 2HB LYS 16 -1.573 -4.822 -2.454
89 HG2 LYS 16 1HG LYS 16 -1.079 -2.776 -3.295
90 HG3 LYS 16 2HG LYS 16 -0.635 -2.496 -1.610
91 HD2 LYS 16 1HD LYS 16 1.710 -3.104 -2.200
92 HD3 LYS 16 2HD LYS 16 1.215 -3.183 -3.892
93 HE2 LYS 16 1HE LYS 16 0.615 -0.721 -2.322
94 HE3 LYS 16 2HE LYS 16 2.264 -0.992 -2.884
95 HZ1 LYS 16 3HZ LYS 16 -0.062 -1.136 -4.708
96 HZ2 LYS 16 1HZ LYS 16 1.574 -0.979 -5.108
97 HZ3 LYS 16 2HZ LYS 16 0.749 0.316 -4.399
98 H GLU 17 H GLU 17 0.498 -2.830 0.460
99 HA GLU 17 HA GLU 17 3.223 -2.796 -0.226
100 HB2 GLU 17 1HB GLU 17 1.884 -1.550 2.181
101 HB3 GLU 17 2HB GLU 17 3.464 -1.118 1.543
102 HG2 GLU 17 1HG GLU 17 1.070 -0.944 -0.222
103 HG3 GLU 17 2HG GLU 17 1.373 0.318 0.971
104 H CYS 18 H CYS 18 1.639 -3.788 2.808
105 HA CYS 18 HA CYS 18 4.094 -5.257 3.508
106 HB2 CYS 18 1HB CYS 18 3.289 -5.122 5.857
107 HB3 CYS 18 2HB CYS 18 3.589 -3.542 5.140
108 H GLY 19 H GLY 19 0.551 -5.417 3.538
109 HA2 GLY 19 1HA GLY 19 -0.453 -7.488 2.689
110 HA3 GLY 19 2HA GLY 19 0.796 -8.361 3.564
111 H LYS 20 H LYS 20 -1.747 -5.949 4.225
112 HA LYS 20 HA LYS 20 -2.640 -7.620 6.462
113 HB2 LYS 20 1HB LYS 20 -1.112 -5.717 7.219
114 HB3 LYS 20 2HB LYS 20 -2.400 -4.627 6.724
115 HG2 LYS 20 1HG LYS 20 -3.925 -5.749 8.294
116 HG3 LYS 20 2HG LYS 20 -2.593 -6.781 8.819
117 HD2 LYS 20 1HD LYS 20 -1.385 -4.898 9.672
118 HD3 LYS 20 2HD LYS 20 -2.543 -3.770 8.964
119 HE2 LYS 20 1HE LYS 20 -3.281 -3.813 11.132
120 HE3 LYS 20 2HE LYS 20 -4.255 -5.110 10.441
121 HZ1 LYS 20 3HZ LYS 20 -1.735 -5.443 11.976
122 HZ2 LYS 20 1HZ LYS 20 -2.612 -6.703 11.264
123 HZ3 LYS 20 2HZ LYS 20 -3.294 -5.804 12.524
124 H ALA 21 H ALA 21 -4.776 -7.900 6.476
125 HA ALA 21 HA ALA 21 -6.399 -6.271 4.663
126 HB1 ALA 21 3HB ALA 21 -6.352 -8.824 4.584
127 HB2 ALA 21 1HB ALA 21 -7.317 -8.764 6.059
128 HB3 ALA 21 2HB ALA 21 -7.931 -8.039 4.573
129 H PHE 22 H PHE 22 -8.192 -5.141 5.319
130 HA PHE 22 HA PHE 22 -8.647 -4.983 8.225
131 HB2 PHE 22 1HB PHE 22 -8.860 -2.707 6.244
132 HB3 PHE 22 2HB PHE 22 -9.105 -2.603 7.984
133 HD1 PHE 22 HD1 PHE 22 -6.551 -3.418 5.417
134 HD2 PHE 22 HD2 PHE 22 -7.325 -2.126 9.398
135 HE1 PHE 22 HE1 PHE 22 -4.159 -2.927 5.719
136 HE2 PHE 22 HE2 PHE 22 -4.934 -1.632 9.706
137 HZ PHE 22 HZ PHE 22 -3.348 -2.031 7.865
138 H SER 23 H SER 23 -10.795 -4.463 8.901
139 HA SER 23 HA SER 23 -12.793 -5.762 7.323
140 HB2 SER 23 1HB SER 23 -14.309 -5.220 9.184
141 HB3 SER 23 2HB SER 23 -12.798 -5.909 9.777
142 HG SER 23 HG SER 23 -13.442 -3.144 9.678
143 H GLN 24 H GLN 24 -11.685 -2.536 7.626
144 HA GLN 24 HA GLN 24 -13.883 -1.632 5.903
145 HB2 GLN 24 1HB GLN 24 -12.921 -0.394 8.454
146 HB3 GLN 24 2HB GLN 24 -13.557 0.635 7.177
147 HG2 GLN 24 1HG GLN 24 -15.094 -1.715 8.226
148 HG3 GLN 24 2HG GLN 24 -15.164 -0.131 8.996
149 HE21 GLN 24 1HE2 GLN 24 -15.388 1.663 7.166
150 HE22 GLN 24 2HE2 GLN 24 -16.718 1.388 6.097
151 H THR 25 H THR 25 -13.297 -0.327 4.241
152 HA THR 25 HA THR 25 -10.709 -0.323 3.278
153 HB THR 25 HB THR 25 -11.397 1.430 1.714
154 HG1 THR 25 HG1 THR 25 -12.852 2.825 2.330
155 HG21 THR 25 3HG2 THR 25 -13.442 -0.705 2.298
156 HG22 THR 25 1HG2 THR 25 -12.134 -0.748 1.116
157 HG23 THR 25 2HG2 THR 25 -13.512 0.326 0.868
158 H THR 26 H THR 26 -12.394 2.343 4.937
159 HA THR 26 HA THR 26 -10.409 4.244 4.919
160 HB THR 26 HB THR 26 -11.370 5.027 7.130
161 HG1 THR 26 HG1 THR 26 -12.573 3.658 8.190
162 HG21 THR 26 3HG2 THR 26 -12.325 5.275 4.604
163 HG22 THR 26 1HG2 THR 26 -13.017 6.088 6.007
164 HG23 THR 26 2HG2 THR 26 -13.725 4.582 5.421
165 H HIS 27 H HIS 27 -10.845 1.596 7.241
166 HA HIS 27 HA HIS 27 -8.739 2.263 8.964
167 HB2 HIS 27 1HB HIS 27 -10.626 0.474 9.192
168 HB3 HIS 27 2HB HIS 27 -9.468 -0.594 8.404
169 HD1 HIS 27 HD1 HIS 27 -10.441 -1.015 11.336
170 HD2 HIS 27 HD2 HIS 27 -6.928 0.915 10.242
171 HE1 HIS 27 HE1 HIS 27 -8.928 -1.187 13.337
172 H LEU 28 H LEU 28 -8.778 0.622 5.884
173 HA LEU 28 HA LEU 28 -6.101 -0.388 6.085
174 HB2 LEU 28 1HB LEU 28 -7.486 -1.613 4.662
175 HB3 LEU 28 2HB LEU 28 -8.115 -0.165 3.879
176 HG LEU 28 HG LEU 28 -5.974 0.144 2.732
177 HD11 LEU 28 1HD1 LEU 28 -4.199 -1.427 2.876
178 HD12 LEU 28 2HD1 LEU 28 -5.155 -2.514 3.883
179 HD13 LEU 28 3HD1 LEU 28 -4.614 -0.963 4.526
180 HD21 LEU 28 3HD2 LEU 28 -6.134 -1.789 1.231
181 HD22 LEU 28 1HD2 LEU 28 -7.723 -1.138 1.634
182 HD23 LEU 28 2HD2 LEU 28 -7.152 -2.615 2.411
183 H ILE 29 H ILE 29 -7.611 2.529 4.917
184 HA ILE 29 HA ILE 29 -5.341 3.469 3.448
185 HB ILE 29 HB ILE 29 -7.696 5.031 4.515
186 HG12 ILE 29 1HG1 ILE 29 -7.259 3.939 1.731
187 HG13 ILE 29 2HG1 ILE 29 -8.242 3.135 2.949
188 HG21 ILE 29 1HG2 ILE 29 -5.843 6.487 4.000
189 HG22 ILE 29 2HG2 ILE 29 -5.632 5.716 2.429
190 HG23 ILE 29 3HG2 ILE 29 -7.084 6.660 2.760
191 HD11 ILE 29 3HD1 ILE 29 -9.534 4.468 1.310
192 HD12 ILE 29 1HD1 ILE 29 -9.791 4.952 2.986
193 HD13 ILE 29 2HD1 ILE 29 -8.753 5.919 1.938
194 H GLN 30 H GLN 30 -6.665 4.082 6.675
195 HA GLN 30 HA GLN 30 -4.984 6.136 7.477
196 HB2 GLN 30 1HB GLN 30 -5.358 5.205 9.813
197 HB3 GLN 30 2HB GLN 30 -6.801 5.602 8.888
198 HG2 GLN 30 1HG GLN 30 -7.105 3.254 8.327
199 HG3 GLN 30 2HG GLN 30 -5.642 2.844 9.222
200 HE21 GLN 30 1HE2 GLN 30 -5.782 2.476 11.344
201 HE22 GLN 30 2HE2 GLN 30 -7.207 2.692 12.297
202 H HIS 31 H HIS 31 -4.487 2.630 7.731
203 HA HIS 31 HA HIS 31 -2.036 2.685 9.069
204 HB2 HIS 31 1HB HIS 31 -3.054 0.583 8.961
205 HB3 HIS 31 2HB HIS 31 -3.338 0.702 7.227
206 HD1 HIS 31 HD1 HIS 31 -0.761 -0.271 9.734
207 HD2 HIS 31 HD2 HIS 31 -1.149 -0.008 5.606
208 HE1 HIS 31 HE1 HIS 31 1.214 -1.510 8.793
209 H GLN 32 H GLN 32 -2.711 2.585 5.578
210 HA GLN 32 HA GLN 32 -0.258 2.378 4.478
211 HB2 GLN 32 1HB GLN 32 -2.447 4.303 3.687
212 HB3 GLN 32 2HB GLN 32 -1.041 3.958 2.687
213 HG2 GLN 32 1HG GLN 32 -2.907 1.807 3.633
214 HG3 GLN 32 2HG GLN 32 -3.176 2.712 2.144
215 HE21 GLN 32 1HE2 GLN 32 -2.994 0.185 1.704
216 HE22 GLN 32 2HE2 GLN 32 -1.448 -0.295 1.101
217 H ARG 33 H ARG 33 -1.393 5.006 6.417
218 HA ARG 33 HA ARG 33 0.262 7.087 5.669
219 HB2 ARG 33 1HB ARG 33 -0.745 6.277 8.395
220 HB3 ARG 33 2HB ARG 33 0.130 7.774 8.108
221 HG2 ARG 33 1HG ARG 33 -2.353 7.083 6.577
222 HG3 ARG 33 2HG ARG 33 -2.414 7.875 8.153
223 HD2 ARG 33 1HD ARG 33 -0.777 8.939 5.866
224 HD3 ARG 33 2HD ARG 33 -2.467 9.383 6.108
225 HE ARG 33 HE ARG 33 -0.783 9.778 8.416
226 HH11 ARG 33 1HH1 ARG 33 -2.058 11.176 5.493
227 HH12 ARG 33 2HH1 ARG 33 -1.842 12.811 6.026
228 HH21 ARG 33 1HH2 ARG 33 -0.494 11.926 9.129
229 HH22 ARG 33 2HH2 ARG 33 -0.951 13.236 8.094
230 H VAL 34 H VAL 34 0.950 4.440 7.934
231 HA VAL 34 HA VAL 34 3.490 5.249 8.749
232 HB VAL 34 HB VAL 34 3.904 2.942 9.375
233 HG11 VAL 34 1HG1 VAL 34 1.436 2.552 10.387
234 HG12 VAL 34 2HG1 VAL 34 2.597 3.705 11.048
235 HG13 VAL 34 3HG1 VAL 34 1.331 4.257 9.949
236 HG21 VAL 34 3HG2 VAL 34 3.232 1.348 7.966
237 HG22 VAL 34 1HG2 VAL 34 1.629 1.527 8.680
238 HG23 VAL 34 2HG2 VAL 34 2.045 2.411 7.212
239 H HIS 35 H HIS 35 2.431 3.748 5.793
240 HA HIS 35 HA HIS 35 5.062 2.966 4.937
241 HB2 HIS 35 1HB HIS 35 2.367 3.063 3.599
242 HB3 HIS 35 2HB HIS 35 3.829 2.691 2.690
243 HD1 HIS 35 HD1 HIS 35 5.294 0.724 4.307
244 HD2 HIS 35 HD2 HIS 35 1.143 0.729 4.149
245 HE1 HIS 35 HE1 HIS 35 4.593 -1.601 4.962
246 H THR 36 H THR 36 3.060 5.787 4.683
247 HA THR 36 HA THR 36 5.077 7.037 2.933
248 HB THR 36 HB THR 36 2.940 6.893 1.780
249 HG1 THR 36 HG1 THR 36 3.205 9.585 2.635
250 HG21 THR 36 3HG2 THR 36 1.842 7.321 4.311
251 HG22 THR 36 1HG2 THR 36 0.968 7.174 2.787
252 HG23 THR 36 2HG2 THR 36 1.436 8.766 3.386
253 H GLY 37 H GLY 37 6.274 7.568 4.877
254 HA2 GLY 37 1HA GLY 37 5.061 9.814 6.369
255 HA3 GLY 37 2HA GLY 37 6.205 8.685 7.079
256 H GLU 38 H GLU 38 7.942 8.622 4.749
257 HA GLU 38 HA GLU 38 9.049 11.349 4.883
258 HB2 GLU 38 1HB GLU 38 10.702 8.834 4.682
259 HB3 GLU 38 2HB GLU 38 11.266 10.469 4.995
260 HG2 GLU 38 1HG GLU 38 9.343 9.267 6.907
261 HG3 GLU 38 2HG GLU 38 11.008 8.688 6.920
262 H LYS 39 H LYS 39 7.395 9.657 2.888
263 HA LYS 39 HA LYS 39 9.015 9.289 0.592
264 HB2 LYS 39 1HB LYS 39 6.051 9.492 1.044
265 HB3 LYS 39 2HB LYS 39 6.709 9.388 -0.583
266 HG2 LYS 39 1HG LYS 39 7.321 7.373 1.560
267 HG3 LYS 39 2HG LYS 39 5.960 7.220 0.446
268 HD2 LYS 39 1HD LYS 39 7.492 7.251 -1.450
269 HD3 LYS 39 2HD LYS 39 8.861 7.455 -0.355
270 HE2 LYS 39 1HE LYS 39 6.982 5.107 -0.230
271 HE3 LYS 39 2HE LYS 39 8.460 5.109 -1.192
272 HZ1 LYS 39 3HZ LYS 39 9.520 5.821 1.061
273 HZ2 LYS 39 1HZ LYS 39 9.189 4.191 0.755
274 HZ3 LYS 39 2HZ LYS 39 8.143 5.098 1.726
275 HA PRO 40 HA PRO 40 9.382 13.330 -1.081
276 HB2 PRO 40 1HB PRO 40 9.266 12.820 -3.745
277 HB3 PRO 40 2HB PRO 40 10.663 12.400 -2.746
278 HG2 PRO 40 1HG PRO 40 8.414 10.662 -3.686
279 HG3 PRO 40 2HG PRO 40 10.151 10.310 -3.628
280 HD2 PRO 40 1HD PRO 40 8.417 9.404 -1.755
281 HD3 PRO 40 2HD PRO 40 10.103 9.814 -1.377
282 H SER 41 H SER 41 6.526 11.692 -1.098
283 HA SER 41 HA SER 41 4.782 12.604 -2.893
284 HB2 SER 41 1HB SER 41 4.403 11.433 -0.560
285 HB3 SER 41 2HB SER 41 4.000 13.069 -0.042
286 HG SER 41 HG SER 41 2.836 11.841 -2.312
287 H GLY 42 H GLY 42 4.130 14.477 -3.732
288 HA2 GLY 42 1HA GLY 42 5.260 16.943 -2.822
289 HA3 GLY 42 2HA GLY 42 4.114 16.747 -4.139
290 HA PRO 43 HA PRO 43 2.134 18.716 -0.317
291 HB2 PRO 43 1HB PRO 43 1.730 21.185 -1.372
292 HB3 PRO 43 2HB PRO 43 3.200 20.744 -0.495
293 HG2 PRO 43 1HG PRO 43 2.725 20.883 -3.447
294 HG3 PRO 43 2HG PRO 43 4.124 21.440 -2.512
295 HD2 PRO 43 1HD PRO 43 4.123 19.103 -3.879
296 HD3 PRO 43 2HD PRO 43 5.030 19.325 -2.369
297 H SER 44 H SER 44 1.434 17.794 -3.405
298 HA SER 44 HA SER 44 -0.824 18.849 -4.344
299 HB2 SER 44 1HB SER 44 0.222 16.758 -5.199
300 HB3 SER 44 2HB SER 44 -0.530 15.873 -3.871
301 HG SER 44 HG SER 44 -1.923 17.362 -5.848
302 H SER 45 H SER 45 -0.976 16.305 -1.845
303 HA SER 45 HA SER 45 -3.687 17.098 -1.178
304 HB2 SER 45 1HB SER 45 -3.310 14.736 -1.244
305 HB3 SER 45 2HB SER 45 -1.897 14.869 -0.196
306 HG SER 45 HG SER 45 -4.379 15.777 0.739
307 H GLY 46 H GLY 46 -0.796 16.444 0.815
308 HA2 GLY 46 1HA GLY 46 0.102 17.648 2.569
309 HA3 GLY 46 2HA GLY 46 -0.986 18.967 2.162
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -15.949 -23.364 -13.690
2 HA2 GLY 1 1HA GLY 1 -18.566 -22.826 -12.855
3 HA3 GLY 1 2HA GLY 1 -17.962 -24.162 -11.887
4 H SER 2 H SER 2 -18.290 -20.889 -11.988
5 HA SER 2 HA SER 2 -15.809 -20.110 -10.777
6 HB2 SER 2 1HB SER 2 -16.830 -17.924 -10.529
7 HB3 SER 2 2HB SER 2 -17.219 -18.557 -12.128
8 HG SER 2 HG SER 2 -19.184 -19.391 -10.800
9 H SER 3 H SER 3 -15.827 -18.951 -8.625
10 HA SER 3 HA SER 3 -17.697 -20.112 -6.699
11 HB2 SER 3 1HB SER 3 -15.751 -20.666 -5.186
12 HB3 SER 3 2HB SER 3 -15.892 -21.688 -6.616
13 HG SER 3 HG SER 3 -14.325 -20.221 -7.596
14 H GLY 4 H GLY 4 -18.131 -18.819 -4.963
15 HA2 GLY 4 1HA GLY 4 -16.590 -16.308 -4.763
16 HA3 GLY 4 2HA GLY 4 -18.346 -16.314 -4.724
17 H SER 5 H SER 5 -15.460 -16.715 -2.924
18 HA SER 5 HA SER 5 -16.701 -17.931 -0.628
19 HB2 SER 5 1HB SER 5 -13.971 -16.792 -1.185
20 HB3 SER 5 2HB SER 5 -14.448 -17.253 0.449
21 HG SER 5 HG SER 5 -14.230 -18.890 -1.847
22 H SER 6 H SER 6 -18.365 -16.587 0.016
23 HA SER 6 HA SER 6 -17.607 -13.881 0.890
24 HB2 SER 6 1HB SER 6 -19.543 -14.290 -0.789
25 HB3 SER 6 2HB SER 6 -20.447 -14.836 0.623
26 HG SER 6 HG SER 6 -20.039 -12.792 1.571
27 H GLY 7 H GLY 7 -16.921 -14.059 2.951
28 HA2 GLY 7 1HA GLY 7 -17.987 -13.930 5.214
29 HA3 GLY 7 2HA GLY 7 -18.683 -15.500 4.837
30 H THR 8 H THR 8 -16.414 -14.110 6.652
31 HA THR 8 HA THR 8 -14.488 -14.776 7.674
32 HB THR 8 HB THR 8 -15.137 -17.625 7.010
33 HG1 THR 8 HG1 THR 8 -16.639 -17.475 8.850
34 HG21 THR 8 3HG2 THR 8 -13.235 -17.390 8.386
35 HG22 THR 8 1HG2 THR 8 -14.547 -17.820 9.483
36 HG23 THR 8 2HG2 THR 8 -14.002 -16.146 9.372
37 H GLY 9 H GLY 9 -14.057 -14.005 5.066
38 HA2 GLY 9 1HA GLY 9 -11.852 -15.808 4.311
39 HA3 GLY 9 2HA GLY 9 -12.969 -15.223 3.087
40 H GLU 10 H GLU 10 -10.701 -14.559 2.295
41 HA GLU 10 HA GLU 10 -9.245 -12.496 3.441
42 HB2 GLU 10 1HB GLU 10 -8.461 -12.006 1.130
43 HB3 GLU 10 2HB GLU 10 -8.374 -13.710 1.554
44 HG2 GLU 10 1HG GLU 10 -10.815 -12.738 0.175
45 HG3 GLU 10 2HG GLU 10 -9.330 -12.891 -0.762
46 H LYS 11 H LYS 11 -9.436 -10.328 3.553
47 HA LYS 11 HA LYS 11 -12.000 -9.166 2.949
48 HB2 LYS 11 1HB LYS 11 -9.498 -8.201 4.292
49 HB3 LYS 11 2HB LYS 11 -10.742 -7.051 3.820
50 HG2 LYS 11 1HG LYS 11 -11.309 -7.509 6.000
51 HG3 LYS 11 2HG LYS 11 -12.339 -8.634 5.112
52 HD2 LYS 11 1HD LYS 11 -10.394 -10.303 5.420
53 HD3 LYS 11 2HD LYS 11 -9.838 -9.189 6.672
54 HE2 LYS 11 1HE LYS 11 -12.340 -9.383 7.475
55 HE3 LYS 11 2HE LYS 11 -12.271 -10.906 6.590
56 HZ1 LYS 11 3HZ LYS 11 -11.232 -10.297 9.141
57 HZ2 LYS 11 1HZ LYS 11 -9.966 -10.769 8.122
58 HZ3 LYS 11 2HZ LYS 11 -11.294 -11.791 8.351
59 HA PRO 12 HA PRO 12 -11.073 -7.441 -0.987
60 HB2 PRO 12 1HB PRO 12 -12.735 -5.295 -0.961
61 HB3 PRO 12 2HB PRO 12 -13.313 -6.955 -1.146
62 HG2 PRO 12 1HG PRO 12 -13.247 -5.235 1.303
63 HG3 PRO 12 2HG PRO 12 -14.535 -6.307 0.723
64 HD2 PRO 12 1HD PRO 12 -12.823 -7.021 2.695
65 HD3 PRO 12 2HD PRO 12 -13.510 -8.196 1.555
66 H TYR 13 H TYR 13 -10.323 -5.892 1.923
67 HA TYR 13 HA TYR 13 -8.752 -3.856 0.486
68 HB2 TYR 13 1HB TYR 13 -9.742 -3.464 3.298
69 HB3 TYR 13 2HB TYR 13 -9.170 -2.254 2.155
70 HD1 TYR 13 HD2 TYR 13 -10.657 -2.410 -0.176
71 HD2 TYR 13 HD1 TYR 13 -11.987 -3.311 3.764
72 HE1 TYR 13 HE2 TYR 13 -12.975 -1.954 -0.860
73 HE2 TYR 13 HE1 TYR 13 -14.309 -2.858 3.091
74 HH TYR 13 HH TYR 13 -15.680 -2.630 1.247
75 H GLU 14 H GLU 14 -6.711 -4.545 0.522
76 HA GLU 14 HA GLU 14 -5.543 -5.260 3.115
77 HB2 GLU 14 1HB GLU 14 -6.069 -7.334 1.798
78 HB3 GLU 14 2HB GLU 14 -4.945 -6.770 0.569
79 HG2 GLU 14 1HG GLU 14 -3.199 -6.705 2.408
80 HG3 GLU 14 2HG GLU 14 -4.351 -7.613 3.385
81 H CYS 15 H CYS 15 -3.504 -4.506 3.458
82 HA CYS 15 HA CYS 15 -2.572 -2.383 1.833
83 HB2 CYS 15 1HB CYS 15 -2.185 -2.510 4.273
84 HB3 CYS 15 2HB CYS 15 -1.107 -3.879 4.018
85 H LYS 16 H LYS 16 -1.388 -2.446 0.050
86 HA LYS 16 HA LYS 16 -0.137 -4.951 -0.753
87 HB2 LYS 16 1HB LYS 16 -1.594 -3.285 -2.208
88 HB3 LYS 16 2HB LYS 16 -0.041 -2.493 -2.443
89 HG2 LYS 16 1HG LYS 16 0.891 -4.433 -3.448
90 HG3 LYS 16 2HG LYS 16 -0.505 -5.413 -2.993
91 HD2 LYS 16 1HD LYS 16 -0.746 -4.902 -5.300
92 HD3 LYS 16 2HD LYS 16 -1.903 -3.890 -4.432
93 HE2 LYS 16 1HE LYS 16 -0.911 -2.451 -5.991
94 HE3 LYS 16 2HE LYS 16 -0.094 -2.090 -4.471
95 HZ1 LYS 16 3HZ LYS 16 1.110 -4.123 -6.185
96 HZ2 LYS 16 1HZ LYS 16 1.848 -2.962 -5.200
97 HZ3 LYS 16 2HZ LYS 16 1.220 -2.517 -6.706
98 H GLU 17 H GLU 17 1.028 -3.414 1.418
99 HA GLU 17 HA GLU 17 3.654 -2.857 0.207
100 HB2 GLU 17 1HB GLU 17 2.673 -1.460 2.684
101 HB3 GLU 17 2HB GLU 17 4.022 -1.024 1.643
102 HG2 GLU 17 1HG GLU 17 1.299 -1.038 0.466
103 HG3 GLU 17 2HG GLU 17 1.726 0.268 1.570
104 H CYS 18 H CYS 18 1.864 -3.991 3.021
105 HA CYS 18 HA CYS 18 4.276 -5.453 3.874
106 HB2 CYS 18 1HB CYS 18 3.620 -5.176 6.187
107 HB3 CYS 18 2HB CYS 18 3.712 -3.592 5.423
108 H GLY 19 H GLY 19 0.734 -5.400 3.817
109 HA2 GLY 19 1HA GLY 19 -0.384 -7.415 2.990
110 HA3 GLY 19 2HA GLY 19 0.798 -8.353 3.891
111 H LYS 20 H LYS 20 -1.638 -5.814 4.464
112 HA LYS 20 HA LYS 20 -2.602 -7.378 6.753
113 HB2 LYS 20 1HB LYS 20 -1.046 -5.337 7.304
114 HB3 LYS 20 2HB LYS 20 -2.487 -4.392 6.953
115 HG2 LYS 20 1HG LYS 20 -3.648 -5.246 8.763
116 HG3 LYS 20 2HG LYS 20 -2.615 -6.672 8.881
117 HD2 LYS 20 1HD LYS 20 -0.744 -4.943 9.411
118 HD3 LYS 20 2HD LYS 20 -2.093 -3.871 9.794
119 HE2 LYS 20 1HE LYS 20 -1.467 -4.901 11.829
120 HE3 LYS 20 2HE LYS 20 -2.952 -5.696 11.311
121 HZ1 LYS 20 3HZ LYS 20 -1.910 -7.635 11.283
122 HZ2 LYS 20 1HZ LYS 20 -0.534 -6.891 11.927
123 HZ3 LYS 20 2HZ LYS 20 -0.706 -7.046 10.251
124 H ALA 21 H ALA 21 -4.707 -7.743 6.589
125 HA ALA 21 HA ALA 21 -6.302 -6.051 4.803
126 HB1 ALA 21 3HB ALA 21 -7.917 -8.151 5.520
127 HB2 ALA 21 1HB ALA 21 -6.925 -8.064 4.064
128 HB3 ALA 21 2HB ALA 21 -6.312 -8.881 5.502
129 H PHE 22 H PHE 22 -8.040 -4.903 5.482
130 HA PHE 22 HA PHE 22 -8.735 -5.067 8.340
131 HB2 PHE 22 1HB PHE 22 -8.509 -2.582 6.630
132 HB3 PHE 22 2HB PHE 22 -9.142 -2.613 8.273
133 HD1 PHE 22 HD1 PHE 22 -6.129 -3.048 6.209
134 HD2 PHE 22 HD2 PHE 22 -7.694 -2.729 10.154
135 HE1 PHE 22 HE1 PHE 22 -3.848 -2.761 7.086
136 HE2 PHE 22 HE2 PHE 22 -5.416 -2.440 11.038
137 HZ PHE 22 HZ PHE 22 -3.489 -2.455 9.503
138 H SER 23 H SER 23 -10.842 -5.250 8.813
139 HA SER 23 HA SER 23 -12.752 -6.067 7.069
140 HB2 SER 23 1HB SER 23 -14.446 -5.248 8.741
141 HB3 SER 23 2HB SER 23 -13.145 -6.214 9.437
142 HG SER 23 HG SER 23 -13.578 -4.302 10.642
143 H GLN 24 H GLN 24 -12.240 -2.703 8.103
144 HA GLN 24 HA GLN 24 -14.021 -1.811 5.950
145 HB2 GLN 24 1HB GLN 24 -12.981 -0.465 8.434
146 HB3 GLN 24 2HB GLN 24 -13.753 0.442 7.140
147 HG2 GLN 24 1HG GLN 24 -15.686 -1.247 7.433
148 HG3 GLN 24 2HG GLN 24 -14.935 -1.580 8.993
149 HE21 GLN 24 1HE2 GLN 24 -17.418 -0.064 7.824
150 HE22 GLN 24 2HE2 GLN 24 -17.471 1.357 8.806
151 H THR 25 H THR 25 -13.285 -0.750 4.210
152 HA THR 25 HA THR 25 -10.600 -0.795 3.481
153 HB THR 25 HB THR 25 -12.318 -0.612 1.793
154 HG1 THR 25 HG1 THR 25 -10.179 0.422 1.479
155 HG21 THR 25 3HG2 THR 25 -13.946 0.729 2.998
156 HG22 THR 25 1HG2 THR 25 -13.561 1.496 1.458
157 HG23 THR 25 2HG2 THR 25 -12.866 2.123 2.953
158 H THR 26 H THR 26 -12.501 1.754 5.001
159 HA THR 26 HA THR 26 -10.733 3.884 4.757
160 HB THR 26 HB THR 26 -12.950 4.269 5.607
161 HG1 THR 26 HG1 THR 26 -12.257 5.302 7.736
162 HG21 THR 26 3HG2 THR 26 -12.626 3.308 8.313
163 HG22 THR 26 1HG2 THR 26 -12.488 1.990 7.150
164 HG23 THR 26 2HG2 THR 26 -13.930 3.006 7.164
165 H HIS 27 H HIS 27 -10.757 1.214 7.047
166 HA HIS 27 HA HIS 27 -8.864 2.198 8.865
167 HB2 HIS 27 1HB HIS 27 -9.772 -0.555 8.094
168 HB3 HIS 27 2HB HIS 27 -8.417 -0.354 9.200
169 HD1 HIS 27 HD1 HIS 27 -9.249 -0.735 11.490
170 HD2 HIS 27 HD2 HIS 27 -11.968 1.420 9.205
171 HE1 HIS 27 HE1 HIS 27 -11.145 -0.182 13.046
172 H LEU 28 H LEU 28 -8.484 0.417 5.841
173 HA LEU 28 HA LEU 28 -5.682 0.032 6.071
174 HB2 LEU 28 1HB LEU 28 -6.761 -1.407 4.591
175 HB3 LEU 28 2HB LEU 28 -7.642 -0.094 3.811
176 HG LEU 28 HG LEU 28 -5.534 0.657 2.765
177 HD11 LEU 28 1HD1 LEU 28 -4.235 -1.912 3.510
178 HD12 LEU 28 2HD1 LEU 28 -4.199 -0.580 4.665
179 HD13 LEU 28 3HD1 LEU 28 -3.514 -0.368 3.054
180 HD21 LEU 28 3HD2 LEU 28 -6.007 -2.256 2.183
181 HD22 LEU 28 1HD2 LEU 28 -5.505 -0.983 1.070
182 HD23 LEU 28 2HD2 LEU 28 -7.146 -0.992 1.716
183 H ILE 29 H ILE 29 -7.686 2.609 4.813
184 HA ILE 29 HA ILE 29 -5.814 4.003 3.292
185 HB ILE 29 HB ILE 29 -7.995 5.223 4.987
186 HG12 ILE 29 1HG1 ILE 29 -8.746 3.380 3.443
187 HG13 ILE 29 2HG1 ILE 29 -9.472 4.950 3.120
188 HG21 ILE 29 1HG2 ILE 29 -6.556 6.938 4.223
189 HG22 ILE 29 2HG2 ILE 29 -6.433 6.220 2.618
190 HG23 ILE 29 3HG2 ILE 29 -7.950 6.949 3.144
191 HD11 ILE 29 3HD1 ILE 29 -8.256 5.249 1.172
192 HD12 ILE 29 1HD1 ILE 29 -7.039 4.058 1.631
193 HD13 ILE 29 2HD1 ILE 29 -8.651 3.531 1.146
194 H GLN 30 H GLN 30 -6.563 4.280 6.755
195 HA GLN 30 HA GLN 30 -4.632 6.307 7.253
196 HB2 GLN 30 1HB GLN 30 -5.938 4.380 9.181
197 HB3 GLN 30 2HB GLN 30 -5.050 5.830 9.628
198 HG2 GLN 30 1HG GLN 30 -7.571 5.788 7.984
199 HG3 GLN 30 2HG GLN 30 -7.488 6.125 9.712
200 HE21 GLN 30 1HE2 GLN 30 -6.185 7.981 10.368
201 HE22 GLN 30 2HE2 GLN 30 -6.114 9.358 9.327
202 H HIS 31 H HIS 31 -4.637 2.788 7.583
203 HA HIS 31 HA HIS 31 -2.191 2.477 8.887
204 HB2 HIS 31 1HB HIS 31 -3.554 0.560 8.738
205 HB3 HIS 31 2HB HIS 31 -3.725 0.713 6.992
206 HD1 HIS 31 HD1 HIS 31 -0.794 0.217 9.383
207 HD2 HIS 31 HD2 HIS 31 -2.239 -1.146 5.734
208 HE1 HIS 31 HE1 HIS 31 0.862 -1.509 8.606
209 H GLN 32 H GLN 32 -2.917 2.664 5.421
210 HA GLN 32 HA GLN 32 -0.508 2.089 4.293
211 HB2 GLN 32 1HB GLN 32 -2.541 4.184 3.565
212 HB3 GLN 32 2HB GLN 32 -1.108 3.913 2.584
213 HG2 GLN 32 1HG GLN 32 -1.955 1.406 2.712
214 HG3 GLN 32 2HG GLN 32 -3.502 2.213 2.961
215 HE21 GLN 32 1HE2 GLN 32 -2.256 0.638 0.698
216 HE22 GLN 32 2HE2 GLN 32 -2.516 1.627 -0.695
217 H ARG 33 H ARG 33 -1.345 4.919 6.147
218 HA ARG 33 HA ARG 33 0.644 6.694 5.421
219 HB2 ARG 33 1HB ARG 33 -0.646 6.171 8.096
220 HB3 ARG 33 2HB ARG 33 0.488 7.490 7.835
221 HG2 ARG 33 1HG ARG 33 -1.897 7.209 6.063
222 HG3 ARG 33 2HG ARG 33 -2.063 7.922 7.669
223 HD2 ARG 33 1HD ARG 33 0.127 8.904 5.916
224 HD3 ARG 33 2HD ARG 33 -1.523 9.390 5.532
225 HE ARG 33 HE ARG 33 0.075 10.280 7.745
226 HH11 ARG 33 1HH1 ARG 33 -3.169 9.806 6.572
227 HH12 ARG 33 2HH1 ARG 33 -3.861 11.002 7.618
228 HH21 ARG 33 1HH2 ARG 33 -0.825 11.856 9.127
229 HH22 ARG 33 2HH2 ARG 33 -2.527 12.168 9.070
230 H VAL 34 H VAL 34 0.815 3.944 7.626
231 HA VAL 34 HA VAL 34 3.334 4.401 8.727
232 HB VAL 34 HB VAL 34 3.414 2.061 9.274
233 HG11 VAL 34 1HG1 VAL 34 0.990 3.636 9.630
234 HG12 VAL 34 2HG1 VAL 34 0.717 1.901 9.792
235 HG13 VAL 34 3HG1 VAL 34 1.918 2.704 10.804
236 HG21 VAL 34 3HG2 VAL 34 2.185 1.708 6.784
237 HG22 VAL 34 1HG2 VAL 34 2.659 0.457 7.933
238 HG23 VAL 34 2HG2 VAL 34 1.025 1.119 7.975
239 H HIS 35 H HIS 35 2.494 3.682 5.522
240 HA HIS 35 HA HIS 35 5.278 2.930 4.914
241 HB2 HIS 35 1HB HIS 35 2.846 2.244 3.257
242 HB3 HIS 35 2HB HIS 35 4.494 1.672 3.014
243 HD1 HIS 35 HD1 HIS 35 5.425 0.175 5.137
244 HD2 HIS 35 HD2 HIS 35 1.311 0.535 4.685
245 HE1 HIS 35 HE1 HIS 35 4.434 -1.713 6.471
246 H THR 36 H THR 36 2.618 5.040 4.245
247 HA THR 36 HA THR 36 4.072 6.298 2.028
248 HB THR 36 HB THR 36 1.965 7.579 1.654
249 HG1 THR 36 HG1 THR 36 0.666 5.773 3.390
250 HG21 THR 36 3HG2 THR 36 1.951 4.576 1.602
251 HG22 THR 36 1HG2 THR 36 2.194 5.703 0.268
252 HG23 THR 36 2HG2 THR 36 0.592 5.513 0.981
253 H GLY 37 H GLY 37 5.652 7.417 3.196
254 HA2 GLY 37 1HA GLY 37 4.691 9.893 4.392
255 HA3 GLY 37 2HA GLY 37 5.636 8.847 5.442
256 H GLU 38 H GLU 38 7.384 7.901 3.327
257 HA GLU 38 HA GLU 38 9.536 9.539 3.567
258 HB2 GLU 38 1HB GLU 38 9.751 7.353 2.579
259 HB3 GLU 38 2HB GLU 38 8.769 7.827 1.201
260 HG2 GLU 38 1HG GLU 38 11.049 7.788 0.519
261 HG3 GLU 38 2HG GLU 38 10.523 9.469 0.585
262 H LYS 39 H LYS 39 10.448 11.253 2.468
263 HA LYS 39 HA LYS 39 10.560 13.142 1.200
264 HB2 LYS 39 1HB LYS 39 9.718 11.359 -0.570
265 HB3 LYS 39 2HB LYS 39 8.243 12.315 -0.492
266 HG2 LYS 39 1HG LYS 39 9.265 14.200 -1.369
267 HG3 LYS 39 2HG LYS 39 10.885 13.639 -0.948
268 HD2 LYS 39 1HD LYS 39 10.233 11.682 -2.615
269 HD3 LYS 39 2HD LYS 39 9.161 12.926 -3.263
270 HE2 LYS 39 1HE LYS 39 11.040 13.329 -4.504
271 HE3 LYS 39 2HE LYS 39 11.342 14.396 -3.134
272 HZ1 LYS 39 3HZ LYS 39 13.322 13.294 -3.282
273 HZ2 LYS 39 1HZ LYS 39 12.626 11.851 -3.825
274 HZ3 LYS 39 2HZ LYS 39 12.514 12.282 -2.194
275 HA PRO 40 HA PRO 40 6.649 14.475 3.494
276 HB2 PRO 40 1HB PRO 40 7.899 15.625 5.612
277 HB3 PRO 40 2HB PRO 40 7.422 13.923 5.587
278 HG2 PRO 40 1HG PRO 40 10.103 15.147 5.063
279 HG3 PRO 40 2HG PRO 40 9.698 13.700 6.005
280 HD2 PRO 40 1HD PRO 40 10.647 13.572 3.472
281 HD3 PRO 40 2HD PRO 40 9.508 12.377 4.126
282 H SER 41 H SER 41 6.320 16.005 1.866
283 HA SER 41 HA SER 41 7.391 18.649 2.465
284 HB2 SER 41 1HB SER 41 8.775 17.424 0.629
285 HB3 SER 41 2HB SER 41 7.384 17.752 -0.404
286 HG SER 41 HG SER 41 7.723 19.902 -0.197
287 H GLY 42 H GLY 42 6.179 20.383 1.421
288 HA2 GLY 42 1HA GLY 42 4.160 20.662 -0.147
289 HA3 GLY 42 2HA GLY 42 3.382 19.569 0.987
290 HA PRO 43 HA PRO 43 2.516 23.920 2.334
291 HB2 PRO 43 1HB PRO 43 -0.136 23.512 2.750
292 HB3 PRO 43 2HB PRO 43 0.531 23.962 1.176
293 HG2 PRO 43 1HG PRO 43 -0.270 21.263 2.192
294 HG3 PRO 43 2HG PRO 43 -0.565 21.994 0.604
295 HD2 PRO 43 1HD PRO 43 1.411 20.193 1.034
296 HD3 PRO 43 2HD PRO 43 1.554 21.502 -0.157
297 H SER 44 H SER 44 2.726 20.918 3.674
298 HA SER 44 HA SER 44 1.422 20.687 5.984
299 HB2 SER 44 1HB SER 44 4.382 20.354 5.511
300 HB3 SER 44 2HB SER 44 3.624 19.914 7.041
301 HG SER 44 HG SER 44 2.310 18.458 5.908
302 H SER 45 H SER 45 1.254 21.634 7.956
303 HA SER 45 HA SER 45 1.453 24.265 8.393
304 HB2 SER 45 1HB SER 45 2.096 22.153 10.466
305 HB3 SER 45 2HB SER 45 1.626 23.816 10.815
306 HG SER 45 HG SER 45 -0.182 22.485 10.936
307 H GLY 46 H GLY 46 2.929 25.750 9.273
308 HA2 GLY 46 1HA GLY 46 5.670 24.939 9.746
309 HA3 GLY 46 2HA GLY 46 5.434 25.902 8.296
Start of MODEL 12
1 H1 GLY 1 H GLY 1 4.955 -17.364 13.154
2 HA2 GLY 1 1HA GLY 1 2.537 -17.592 11.470
3 HA3 GLY 1 2HA GLY 1 2.903 -18.672 12.807
4 H SER 2 H SER 2 0.987 -18.256 13.894
5 HA SER 2 HA SER 2 -0.479 -17.159 15.252
6 HB2 SER 2 1HB SER 2 1.922 -15.472 15.987
7 HB3 SER 2 2HB SER 2 0.498 -15.789 16.978
8 HG SER 2 HG SER 2 2.492 -17.640 16.176
9 H SER 3 H SER 3 -0.707 -16.291 12.696
10 HA SER 3 HA SER 3 -1.127 -13.390 13.008
11 HB2 SER 3 1HB SER 3 -0.303 -14.933 10.542
12 HB3 SER 3 2HB SER 3 -0.852 -13.257 10.504
13 HG SER 3 HG SER 3 1.425 -13.402 10.622
14 H GLY 4 H GLY 4 -2.802 -12.598 11.318
15 HA2 GLY 4 1HA GLY 4 -5.294 -13.585 11.953
16 HA3 GLY 4 2HA GLY 4 -4.953 -12.648 10.506
17 H SER 5 H SER 5 -6.830 -14.867 10.914
18 HA SER 5 HA SER 5 -5.946 -16.498 8.657
19 HB2 SER 5 1HB SER 5 -5.468 -17.604 10.979
20 HB3 SER 5 2HB SER 5 -7.208 -17.896 10.996
21 HG SER 5 HG SER 5 -5.388 -19.341 9.808
22 H SER 6 H SER 6 -7.671 -17.563 7.547
23 HA SER 6 HA SER 6 -10.397 -16.944 8.331
24 HB2 SER 6 1HB SER 6 -9.181 -15.882 5.771
25 HB3 SER 6 2HB SER 6 -10.911 -15.906 6.114
26 HG SER 6 HG SER 6 -9.438 -13.956 6.663
27 H GLY 7 H GLY 7 -11.992 -17.957 6.836
28 HA2 GLY 7 1HA GLY 7 -10.853 -20.436 5.703
29 HA3 GLY 7 2HA GLY 7 -12.439 -20.332 6.453
30 H THR 8 H THR 8 -13.655 -18.264 5.318
31 HA THR 8 HA THR 8 -13.881 -19.110 2.528
32 HB THR 8 HB THR 8 -16.001 -17.766 2.554
33 HG1 THR 8 HG1 THR 8 -15.157 -16.544 4.515
34 HG21 THR 8 3HG2 THR 8 -15.875 -19.843 4.739
35 HG22 THR 8 1HG2 THR 8 -15.902 -20.225 3.018
36 HG23 THR 8 2HG2 THR 8 -17.274 -19.402 3.761
37 H GLY 9 H GLY 9 -12.265 -18.036 1.449
38 HA2 GLY 9 1HA GLY 9 -11.140 -16.283 0.478
39 HA3 GLY 9 2HA GLY 9 -12.708 -15.490 0.482
40 H GLU 10 H GLU 10 -10.987 -13.675 0.668
41 HA GLU 10 HA GLU 10 -10.716 -13.048 3.531
42 HB2 GLU 10 1HB GLU 10 -8.594 -11.873 3.004
43 HB3 GLU 10 2HB GLU 10 -8.508 -13.608 2.737
44 HG2 GLU 10 1HG GLU 10 -9.132 -12.957 0.283
45 HG3 GLU 10 2HG GLU 10 -8.501 -11.382 0.762
46 H LYS 11 H LYS 11 -10.166 -10.588 3.745
47 HA LYS 11 HA LYS 11 -12.392 -9.163 2.736
48 HB2 LYS 11 1HB LYS 11 -9.885 -8.227 4.138
49 HB3 LYS 11 2HB LYS 11 -11.236 -7.170 3.752
50 HG2 LYS 11 1HG LYS 11 -12.650 -8.213 5.274
51 HG3 LYS 11 2HG LYS 11 -11.647 -9.663 5.356
52 HD2 LYS 11 1HD LYS 11 -10.474 -7.065 6.223
53 HD3 LYS 11 2HD LYS 11 -11.626 -7.870 7.291
54 HE2 LYS 11 1HE LYS 11 -9.392 -9.457 6.120
55 HE3 LYS 11 2HE LYS 11 -9.045 -8.357 7.452
56 HZ1 LYS 11 3HZ LYS 11 -10.942 -10.636 7.453
57 HZ2 LYS 11 1HZ LYS 11 -10.866 -9.487 8.693
58 HZ3 LYS 11 2HZ LYS 11 -9.530 -10.473 8.370
59 HA PRO 12 HA PRO 12 -10.901 -7.746 -1.156
60 HB2 PRO 12 1HB PRO 12 -12.456 -5.538 -1.438
61 HB3 PRO 12 2HB PRO 12 -13.081 -7.182 -1.617
62 HG2 PRO 12 1HG PRO 12 -13.240 -5.341 0.738
63 HG3 PRO 12 2HG PRO 12 -14.494 -6.391 0.052
64 HD2 PRO 12 1HD PRO 12 -13.071 -7.068 2.254
65 HD3 PRO 12 2HD PRO 12 -13.664 -8.273 1.093
66 H TYR 13 H TYR 13 -10.241 -6.260 1.733
67 HA TYR 13 HA TYR 13 -8.628 -4.172 0.417
68 HB2 TYR 13 1HB TYR 13 -9.607 -4.007 3.262
69 HB3 TYR 13 2HB TYR 13 -8.958 -2.717 2.255
70 HD1 TYR 13 HD2 TYR 13 -10.392 -2.488 -0.069
71 HD2 TYR 13 HD1 TYR 13 -11.864 -3.878 3.673
72 HE1 TYR 13 HE2 TYR 13 -12.673 -1.857 -0.739
73 HE2 TYR 13 HE1 TYR 13 -14.150 -3.253 3.013
74 HH TYR 13 HH TYR 13 -15.459 -2.616 1.289
75 H GLU 14 H GLU 14 -6.522 -4.526 0.538
76 HA GLU 14 HA GLU 14 -5.339 -5.546 2.985
77 HB2 GLU 14 1HB GLU 14 -5.965 -7.491 1.380
78 HB3 GLU 14 2HB GLU 14 -4.602 -6.927 0.423
79 HG2 GLU 14 1HG GLU 14 -3.181 -7.172 2.469
80 HG3 GLU 14 2HG GLU 14 -4.556 -7.952 3.248
81 H CYS 15 H CYS 15 -3.361 -4.710 3.355
82 HA CYS 15 HA CYS 15 -2.417 -2.607 1.697
83 HB2 CYS 15 1HB CYS 15 -2.132 -2.655 4.162
84 HB3 CYS 15 2HB CYS 15 -0.998 -3.990 3.983
85 H LYS 16 H LYS 16 -1.282 -2.794 -0.106
86 HA LYS 16 HA LYS 16 0.091 -5.276 -0.725
87 HB2 LYS 16 1HB LYS 16 -0.757 -2.865 -2.256
88 HB3 LYS 16 2HB LYS 16 0.598 -3.797 -2.880
89 HG2 LYS 16 1HG LYS 16 -1.081 -5.806 -2.470
90 HG3 LYS 16 2HG LYS 16 -2.268 -4.515 -2.672
91 HD2 LYS 16 1HD LYS 16 -2.030 -5.141 -4.853
92 HD3 LYS 16 2HD LYS 16 -0.737 -3.943 -4.760
93 HE2 LYS 16 1HE LYS 16 -0.110 -6.768 -4.065
94 HE3 LYS 16 2HE LYS 16 -0.326 -6.352 -5.764
95 HZ1 LYS 16 3HZ LYS 16 1.740 -5.597 -5.768
96 HZ2 LYS 16 1HZ LYS 16 1.907 -5.891 -4.110
97 HZ3 LYS 16 2HZ LYS 16 1.309 -4.404 -4.649
98 H GLU 17 H GLU 17 1.142 -3.559 1.392
99 HA GLU 17 HA GLU 17 3.783 -2.976 0.220
100 HB2 GLU 17 1HB GLU 17 2.725 -1.578 2.663
101 HB3 GLU 17 2HB GLU 17 4.058 -1.104 1.619
102 HG2 GLU 17 1HG GLU 17 1.313 -1.241 0.479
103 HG3 GLU 17 2HG GLU 17 1.752 0.123 1.506
104 H CYS 18 H CYS 18 2.002 -4.074 3.065
105 HA CYS 18 HA CYS 18 4.421 -5.516 3.924
106 HB2 CYS 18 1HB CYS 18 3.843 -5.127 6.244
107 HB3 CYS 18 2HB CYS 18 3.947 -3.581 5.409
108 H GLY 19 H GLY 19 0.887 -5.403 3.907
109 HA2 GLY 19 1HA GLY 19 -0.253 -7.459 3.202
110 HA3 GLY 19 2HA GLY 19 0.897 -8.344 4.193
111 H LYS 20 H LYS 20 -1.629 -5.853 4.428
112 HA LYS 20 HA LYS 20 -2.572 -7.154 6.879
113 HB2 LYS 20 1HB LYS 20 -1.091 -5.091 7.320
114 HB3 LYS 20 2HB LYS 20 -2.438 -4.154 6.687
115 HG2 LYS 20 1HG LYS 20 -3.859 -4.816 8.442
116 HG3 LYS 20 2HG LYS 20 -2.759 -6.100 8.950
117 HD2 LYS 20 1HD LYS 20 -1.755 -3.299 8.953
118 HD3 LYS 20 2HD LYS 20 -2.876 -3.786 10.227
119 HE2 LYS 20 1HE LYS 20 -1.413 -5.401 11.059
120 HE3 LYS 20 2HE LYS 20 -0.469 -5.448 9.571
121 HZ1 LYS 20 3HZ LYS 20 0.003 -2.976 10.209
122 HZ2 LYS 20 1HZ LYS 20 0.894 -4.230 10.914
123 HZ3 LYS 20 2HZ LYS 20 -0.375 -3.510 11.769
124 H ALA 21 H ALA 21 -4.675 -7.561 6.764
125 HA ALA 21 HA ALA 21 -6.273 -6.153 4.748
126 HB1 ALA 21 3HB ALA 21 -7.865 -8.171 5.685
127 HB2 ALA 21 1HB ALA 21 -6.822 -8.266 4.266
128 HB3 ALA 21 2HB ALA 21 -6.251 -8.868 5.823
129 H PHE 22 H PHE 22 -8.175 -5.108 5.239
130 HA PHE 22 HA PHE 22 -8.887 -4.893 8.083
131 HB2 PHE 22 1HB PHE 22 -8.655 -2.603 6.119
132 HB3 PHE 22 2HB PHE 22 -9.310 -2.470 7.748
133 HD1 PHE 22 HD1 PHE 22 -6.283 -2.907 5.746
134 HD2 PHE 22 HD2 PHE 22 -7.866 -2.532 9.679
135 HE1 PHE 22 HE1 PHE 22 -4.018 -2.493 6.615
136 HE2 PHE 22 HE2 PHE 22 -5.605 -2.117 10.554
137 HZ PHE 22 HZ PHE 22 -3.677 -2.096 9.021
138 H SER 23 H SER 23 -11.022 -4.938 8.528
139 HA SER 23 HA SER 23 -12.846 -5.912 6.661
140 HB2 SER 23 1HB SER 23 -13.341 -4.484 9.283
141 HB3 SER 23 2HB SER 23 -14.588 -5.326 8.363
142 HG SER 23 HG SER 23 -12.791 -6.339 10.069
143 H GLN 24 H GLN 24 -12.200 -2.611 7.716
144 HA GLN 24 HA GLN 24 -14.161 -1.629 5.759
145 HB2 GLN 24 1HB GLN 24 -13.012 -0.462 8.270
146 HB3 GLN 24 2HB GLN 24 -13.676 0.596 7.032
147 HG2 GLN 24 1HG GLN 24 -15.316 -1.693 7.986
148 HG3 GLN 24 2HG GLN 24 -15.148 -0.274 9.018
149 HE21 GLN 24 1HE2 GLN 24 -16.586 1.265 8.737
150 HE22 GLN 24 2HE2 GLN 24 -17.527 1.535 7.313
151 H THR 25 H THR 25 -13.461 0.631 4.873
152 HA THR 25 HA THR 25 -10.937 0.196 3.507
153 HB THR 25 HB THR 25 -11.602 2.253 2.210
154 HG1 THR 25 HG1 THR 25 -13.116 3.394 3.156
155 HG21 THR 25 3HG2 THR 25 -13.964 0.668 1.776
156 HG22 THR 25 1HG2 THR 25 -12.574 -0.376 2.066
157 HG23 THR 25 2HG2 THR 25 -12.524 0.821 0.771
158 H THR 26 H THR 26 -12.402 2.580 5.671
159 HA THR 26 HA THR 26 -10.318 4.454 5.661
160 HB THR 26 HB THR 26 -12.322 5.202 6.623
161 HG1 THR 26 HG1 THR 26 -11.633 5.380 9.002
162 HG21 THR 26 3HG2 THR 26 -12.202 2.717 8.320
163 HG22 THR 26 1HG2 THR 26 -13.442 3.182 7.156
164 HG23 THR 26 2HG2 THR 26 -13.284 4.063 8.676
165 H HIS 27 H HIS 27 -10.713 1.437 7.378
166 HA HIS 27 HA HIS 27 -8.644 1.866 9.286
167 HB2 HIS 27 1HB HIS 27 -10.252 -0.472 8.366
168 HB3 HIS 27 2HB HIS 27 -8.766 -0.788 9.257
169 HD1 HIS 27 HD1 HIS 27 -11.869 1.378 9.706
170 HD2 HIS 27 HD2 HIS 27 -9.170 -0.871 11.923
171 HE1 HIS 27 HE1 HIS 27 -12.701 1.475 12.077
172 H LEU 28 H LEU 28 -8.719 0.808 5.987
173 HA LEU 28 HA LEU 28 -6.038 -0.290 6.065
174 HB2 LEU 28 1HB LEU 28 -7.472 -1.421 4.597
175 HB3 LEU 28 2HB LEU 28 -8.098 0.080 3.917
176 HG LEU 28 HG LEU 28 -5.999 0.448 2.744
177 HD11 LEU 28 1HD1 LEU 28 -4.191 -1.104 2.794
178 HD12 LEU 28 2HD1 LEU 28 -5.104 -2.225 3.803
179 HD13 LEU 28 3HD1 LEU 28 -4.574 -0.678 4.462
180 HD21 LEU 28 3HD2 LEU 28 -6.321 -1.123 1.058
181 HD22 LEU 28 1HD2 LEU 28 -7.886 -1.070 1.870
182 HD23 LEU 28 2HD2 LEU 28 -6.770 -2.396 2.194
183 H ILE 29 H ILE 29 -7.678 2.505 4.609
184 HA ILE 29 HA ILE 29 -5.451 3.636 3.353
185 HB ILE 29 HB ILE 29 -7.855 5.040 4.523
186 HG12 ILE 29 1HG1 ILE 29 -7.342 4.277 1.648
187 HG13 ILE 29 2HG1 ILE 29 -8.232 3.244 2.762
188 HG21 ILE 29 1HG2 ILE 29 -5.991 6.048 2.386
189 HG22 ILE 29 2HG2 ILE 29 -7.303 6.921 3.176
190 HG23 ILE 29 3HG2 ILE 29 -5.856 6.490 4.088
191 HD11 ILE 29 3HD1 ILE 29 -9.374 5.057 1.143
192 HD12 ILE 29 1HD1 ILE 29 -10.075 4.518 2.668
193 HD13 ILE 29 2HD1 ILE 29 -9.162 6.026 2.601
194 H GLN 30 H GLN 30 -6.687 4.025 6.643
195 HA GLN 30 HA GLN 30 -4.979 6.088 7.463
196 HB2 GLN 30 1HB GLN 30 -5.799 5.733 9.577
197 HB3 GLN 30 2HB GLN 30 -7.041 4.924 8.631
198 HG2 GLN 30 1HG GLN 30 -6.037 2.777 9.073
199 HG3 GLN 30 2HG GLN 30 -4.698 3.547 9.923
200 HE21 GLN 30 1HE2 GLN 30 -5.055 2.554 11.864
201 HE22 GLN 30 2HE2 GLN 30 -6.435 2.872 12.853
202 H HIS 31 H HIS 31 -4.627 2.563 7.817
203 HA HIS 31 HA HIS 31 -2.123 2.604 9.076
204 HB2 HIS 31 1HB HIS 31 -3.137 0.536 9.222
205 HB3 HIS 31 2HB HIS 31 -3.679 0.564 7.546
206 HD1 HIS 31 HD1 HIS 31 -0.927 -0.581 9.717
207 HD2 HIS 31 HD2 HIS 31 -1.664 -0.175 5.648
208 HE1 HIS 31 HE1 HIS 31 0.857 -1.934 8.572
209 H GLN 32 H GLN 32 -3.011 2.518 5.657
210 HA GLN 32 HA GLN 32 -0.633 1.994 4.434
211 HB2 GLN 32 1HB GLN 32 -2.881 3.842 3.726
212 HB3 GLN 32 2HB GLN 32 -1.444 3.794 2.714
213 HG2 GLN 32 1HG GLN 32 -1.901 1.192 2.824
214 HG3 GLN 32 2HG GLN 32 -3.545 1.748 3.129
215 HE21 GLN 32 1HE2 GLN 32 -2.999 0.292 0.902
216 HE22 GLN 32 2HE2 GLN 32 -3.117 1.290 -0.504
217 H ARG 33 H ARG 33 -1.469 4.804 6.277
218 HA ARG 33 HA ARG 33 0.304 6.703 5.344
219 HB2 ARG 33 1HB ARG 33 -0.782 6.107 8.077
220 HB3 ARG 33 2HB ARG 33 0.395 7.395 7.854
221 HG2 ARG 33 1HG ARG 33 -1.113 8.448 6.212
222 HG3 ARG 33 2HG ARG 33 -2.303 7.186 6.535
223 HD2 ARG 33 1HD ARG 33 -2.284 7.875 8.928
224 HD3 ARG 33 2HD ARG 33 -1.230 9.218 8.486
225 HE ARG 33 HE ARG 33 -3.625 9.170 6.934
226 HH11 ARG 33 1HH1 ARG 33 -2.290 10.098 10.012
227 HH12 ARG 33 2HH1 ARG 33 -3.464 11.340 10.294
228 HH21 ARG 33 1HH2 ARG 33 -5.176 10.803 7.293
229 HH22 ARG 33 2HH2 ARG 33 -5.106 11.740 8.747
230 H VAL 34 H VAL 34 0.902 4.034 7.587
231 HA VAL 34 HA VAL 34 3.496 4.671 8.364
232 HB VAL 34 HB VAL 34 3.786 2.374 8.973
233 HG11 VAL 34 1HG1 VAL 34 2.263 2.465 10.603
234 HG12 VAL 34 2HG1 VAL 34 1.662 3.921 9.806
235 HG13 VAL 34 3HG1 VAL 34 0.920 2.358 9.466
236 HG21 VAL 34 3HG2 VAL 34 1.903 0.741 8.245
237 HG22 VAL 34 1HG2 VAL 34 1.659 1.888 6.928
238 HG23 VAL 34 2HG2 VAL 34 3.221 1.094 7.127
239 H HIS 35 H HIS 35 2.343 3.807 5.296
240 HA HIS 35 HA HIS 35 5.051 3.080 4.394
241 HB2 HIS 35 1HB HIS 35 2.408 2.548 3.020
242 HB3 HIS 35 2HB HIS 35 3.992 2.018 2.462
243 HD1 HIS 35 HD1 HIS 35 5.255 0.349 4.255
244 HD2 HIS 35 HD2 HIS 35 1.126 0.715 4.543
245 HE1 HIS 35 HE1 HIS 35 4.492 -1.654 5.570
246 H THR 36 H THR 36 3.863 5.790 4.857
247 HA THR 36 HA THR 36 4.215 6.848 2.127
248 HB THR 36 HB THR 36 2.680 8.576 2.524
249 HG1 THR 36 HG1 THR 36 1.806 8.889 4.699
250 HG21 THR 36 3HG2 THR 36 0.622 7.462 3.293
251 HG22 THR 36 1HG2 THR 36 1.590 6.131 3.924
252 HG23 THR 36 2HG2 THR 36 1.548 6.446 2.189
253 H GLY 37 H GLY 37 4.677 7.546 5.584
254 HA2 GLY 37 1HA GLY 37 6.473 9.738 5.032
255 HA3 GLY 37 2HA GLY 37 6.079 9.082 6.614
256 H GLU 38 H GLU 38 7.199 7.196 7.347
257 HA GLU 38 HA GLU 38 9.959 7.249 6.792
258 HB2 GLU 38 1HB GLU 38 8.313 5.136 8.196
259 HB3 GLU 38 2HB GLU 38 10.069 5.221 8.215
260 HG2 GLU 38 1HG GLU 38 8.376 7.499 9.172
261 HG3 GLU 38 2HG GLU 38 8.803 6.150 10.223
262 H LYS 39 H LYS 39 11.290 5.490 5.987
263 HA LYS 39 HA LYS 39 9.964 4.047 3.788
264 HB2 LYS 39 1HB LYS 39 12.766 5.125 4.064
265 HB3 LYS 39 2HB LYS 39 12.324 3.962 2.822
266 HG2 LYS 39 1HG LYS 39 10.450 5.713 2.286
267 HG3 LYS 39 2HG LYS 39 11.551 6.821 3.107
268 HD2 LYS 39 1HD LYS 39 12.231 6.996 0.900
269 HD3 LYS 39 2HD LYS 39 13.347 5.787 1.540
270 HE2 LYS 39 1HE LYS 39 12.084 4.007 0.567
271 HE3 LYS 39 2HE LYS 39 10.779 5.105 0.120
272 HZ1 LYS 39 3HZ LYS 39 11.875 5.802 -1.694
273 HZ2 LYS 39 1HZ LYS 39 12.723 4.347 -1.540
274 HZ3 LYS 39 2HZ LYS 39 13.389 5.781 -0.941
275 HA PRO 40 HA PRO 40 11.291 0.770 6.752
276 HB2 PRO 40 1HB PRO 40 9.120 -0.801 6.319
277 HB3 PRO 40 2HB PRO 40 9.129 0.524 7.488
278 HG2 PRO 40 1HG PRO 40 8.046 0.466 4.698
279 HG3 PRO 40 2HG PRO 40 7.330 1.166 6.161
280 HD2 PRO 40 1HD PRO 40 8.607 2.667 4.304
281 HD3 PRO 40 2HD PRO 40 8.618 3.073 6.032
282 H SER 41 H SER 41 11.360 -1.674 6.298
283 HA SER 41 HA SER 41 11.827 -2.179 3.437
284 HB2 SER 41 1HB SER 41 13.994 -1.788 4.527
285 HB3 SER 41 2HB SER 41 13.629 -3.039 5.715
286 HG SER 41 HG SER 41 14.058 -3.341 2.932
287 H GLY 42 H GLY 42 11.571 -4.348 2.754
288 HA2 GLY 42 1HA GLY 42 10.933 -6.500 4.448
289 HA3 GLY 42 2HA GLY 42 9.437 -5.726 3.946
290 HA PRO 43 HA PRO 43 10.875 -8.888 0.769
291 HB2 PRO 43 1HB PRO 43 8.716 -10.522 0.966
292 HB3 PRO 43 2HB PRO 43 10.160 -10.714 1.966
293 HG2 PRO 43 1HG PRO 43 7.549 -9.415 2.640
294 HG3 PRO 43 2HG PRO 43 8.544 -10.503 3.625
295 HD2 PRO 43 1HD PRO 43 8.547 -7.817 3.968
296 HD3 PRO 43 2HD PRO 43 9.984 -8.818 4.258
297 H SER 44 H SER 44 7.657 -7.569 1.474
298 HA SER 44 HA SER 44 6.387 -7.860 -0.926
299 HB2 SER 44 1HB SER 44 5.444 -6.791 1.148
300 HB3 SER 44 2HB SER 44 6.297 -5.313 0.704
301 HG SER 44 HG SER 44 3.930 -6.078 -0.110
302 H SER 45 H SER 45 6.585 -7.093 -2.938
303 HA SER 45 HA SER 45 8.698 -5.109 -3.434
304 HB2 SER 45 1HB SER 45 8.923 -6.042 -5.639
305 HB3 SER 45 2HB SER 45 8.909 -7.383 -4.494
306 HG SER 45 HG SER 45 7.323 -7.023 -6.562
307 H GLY 46 H GLY 46 5.389 -6.000 -4.345
308 HA2 GLY 46 1HA GLY 46 3.618 -4.568 -4.813
309 HA3 GLY 46 2HA GLY 46 4.725 -3.208 -4.708
Start of MODEL 13
1 H1 GLY 1 H GLY 1 14.569 -23.405 3.597
2 HA2 GLY 1 1HA GLY 1 14.353 -20.476 3.317
3 HA3 GLY 1 2HA GLY 1 13.561 -21.646 2.272
4 H SER 2 H SER 2 13.094 -19.528 4.768
5 HA SER 2 HA SER 2 10.912 -21.044 5.991
6 HB2 SER 2 1HB SER 2 10.885 -19.364 7.707
7 HB3 SER 2 2HB SER 2 12.572 -19.782 7.409
8 HG SER 2 HG SER 2 12.632 -17.906 6.012
9 H SER 3 H SER 3 8.940 -20.869 5.184
10 HA SER 3 HA SER 3 8.101 -18.289 4.043
11 HB2 SER 3 1HB SER 3 7.426 -21.018 2.918
12 HB3 SER 3 2HB SER 3 6.863 -19.470 2.289
13 HG SER 3 HG SER 3 9.018 -20.717 1.580
14 H GLY 4 H GLY 4 7.136 -17.897 6.118
15 HA2 GLY 4 1HA GLY 4 4.588 -19.355 6.445
16 HA3 GLY 4 2HA GLY 4 5.590 -18.944 7.829
17 H SER 5 H SER 5 2.809 -18.144 6.663
18 HA SER 5 HA SER 5 3.180 -15.234 6.917
19 HB2 SER 5 1HB SER 5 0.954 -16.791 5.582
20 HB3 SER 5 2HB SER 5 0.992 -15.036 5.749
21 HG SER 5 HG SER 5 2.768 -14.959 4.420
22 H SER 6 H SER 6 1.870 -14.057 8.303
23 HA SER 6 HA SER 6 0.284 -15.653 10.208
24 HB2 SER 6 1HB SER 6 2.193 -14.937 11.416
25 HB3 SER 6 2HB SER 6 2.141 -13.326 10.700
26 HG SER 6 HG SER 6 0.252 -14.428 12.511
27 H GLY 7 H GLY 7 -1.799 -15.147 10.285
28 HA2 GLY 7 1HA GLY 7 -3.629 -13.677 10.520
29 HA3 GLY 7 2HA GLY 7 -2.635 -12.375 9.882
30 H THR 8 H THR 8 -5.067 -14.594 9.198
31 HA THR 8 HA THR 8 -4.637 -14.823 6.371
32 HB THR 8 HB THR 8 -7.157 -15.356 7.957
33 HG1 THR 8 HG1 THR 8 -4.827 -16.834 7.491
34 HG21 THR 8 3HG2 THR 8 -6.436 -15.618 5.115
35 HG22 THR 8 1HG2 THR 8 -8.020 -15.466 5.873
36 HG23 THR 8 2HG2 THR 8 -7.212 -17.033 5.825
37 H GLY 9 H GLY 9 -7.225 -13.231 8.256
38 HA2 GLY 9 1HA GLY 9 -8.516 -11.391 7.790
39 HA3 GLY 9 2HA GLY 9 -7.092 -10.758 6.977
40 H GLU 10 H GLU 10 -10.094 -12.502 6.580
41 HA GLU 10 HA GLU 10 -9.775 -12.627 3.691
42 HB2 GLU 10 1HB GLU 10 -11.731 -13.723 5.662
43 HB3 GLU 10 2HB GLU 10 -12.246 -13.526 3.992
44 HG2 GLU 10 1HG GLU 10 -10.476 -14.964 3.225
45 HG3 GLU 10 2HG GLU 10 -9.819 -15.079 4.857
46 H LYS 11 H LYS 11 -9.726 -10.377 3.245
47 HA LYS 11 HA LYS 11 -12.392 -9.222 3.018
48 HB2 LYS 11 1HB LYS 11 -10.099 -7.913 4.473
49 HB3 LYS 11 2HB LYS 11 -11.439 -6.988 3.808
50 HG2 LYS 11 1HG LYS 11 -11.906 -9.266 5.696
51 HG3 LYS 11 2HG LYS 11 -11.529 -7.643 6.278
52 HD2 LYS 11 1HD LYS 11 -13.494 -6.742 5.395
53 HD3 LYS 11 2HD LYS 11 -13.734 -8.103 4.297
54 HE2 LYS 11 1HE LYS 11 -14.103 -9.545 6.310
55 HE3 LYS 11 2HE LYS 11 -14.066 -8.082 7.293
56 HZ1 LYS 11 3HZ LYS 11 -15.864 -7.410 5.444
57 HZ2 LYS 11 1HZ LYS 11 -16.266 -8.123 6.924
58 HZ3 LYS 11 2HZ LYS 11 -16.143 -9.076 5.533
59 HA PRO 12 HA PRO 12 -10.904 -7.992 -0.930
60 HB2 PRO 12 1HB PRO 12 -12.533 -5.876 -1.418
61 HB3 PRO 12 2HB PRO 12 -13.094 -7.551 -1.467
62 HG2 PRO 12 1HG PRO 12 -13.361 -5.528 0.723
63 HG3 PRO 12 2HG PRO 12 -14.563 -6.678 0.110
64 HD2 PRO 12 1HD PRO 12 -13.155 -7.115 2.381
65 HD3 PRO 12 2HD PRO 12 -13.684 -8.434 1.317
66 H TYR 13 H TYR 13 -10.319 -6.270 1.831
67 HA TYR 13 HA TYR 13 -8.785 -4.221 0.369
68 HB2 TYR 13 1HB TYR 13 -9.728 -3.864 3.202
69 HB3 TYR 13 2HB TYR 13 -9.209 -2.637 2.053
70 HD1 TYR 13 HD2 TYR 13 -10.725 -2.648 -0.194
71 HD2 TYR 13 HD1 TYR 13 -11.980 -3.938 3.661
72 HE1 TYR 13 HE2 TYR 13 -13.067 -2.245 -0.828
73 HE2 TYR 13 HE1 TYR 13 -14.326 -3.540 3.037
74 HH TYR 13 HH TYR 13 -15.227 -1.781 0.301
75 H GLU 14 H GLU 14 -6.681 -4.600 0.460
76 HA GLU 14 HA GLU 14 -5.474 -5.399 2.994
77 HB2 GLU 14 1HB GLU 14 -5.988 -7.396 1.352
78 HB3 GLU 14 2HB GLU 14 -4.546 -6.816 0.532
79 HG2 GLU 14 1HG GLU 14 -3.251 -7.097 2.567
80 HG3 GLU 14 2HG GLU 14 -4.695 -7.633 3.425
81 H CYS 15 H CYS 15 -3.164 -5.040 3.070
82 HA CYS 15 HA CYS 15 -2.378 -2.822 1.325
83 HB2 CYS 15 1HB CYS 15 -2.325 -2.529 3.812
84 HB3 CYS 15 2HB CYS 15 -1.066 -3.758 3.883
85 H LYS 16 H LYS 16 -1.359 -3.506 -0.451
86 HA LYS 16 HA LYS 16 0.084 -5.908 -0.688
87 HB2 LYS 16 1HB LYS 16 -0.905 -4.230 -2.486
88 HB3 LYS 16 2HB LYS 16 0.732 -3.588 -2.451
89 HG2 LYS 16 1HG LYS 16 0.395 -6.520 -2.758
90 HG3 LYS 16 2HG LYS 16 0.011 -5.485 -4.135
91 HD2 LYS 16 1HD LYS 16 2.249 -4.473 -3.972
92 HD3 LYS 16 2HD LYS 16 2.626 -5.552 -2.628
93 HE2 LYS 16 1HE LYS 16 3.575 -6.500 -4.598
94 HE3 LYS 16 2HE LYS 16 2.176 -7.479 -4.160
95 HZ1 LYS 16 3HZ LYS 16 2.546 -6.697 -6.607
96 HZ2 LYS 16 1HZ LYS 16 1.810 -5.275 -6.060
97 HZ3 LYS 16 2HZ LYS 16 0.988 -6.749 -5.950
98 H GLU 17 H GLU 17 0.985 -2.764 0.451
99 HA GLU 17 HA GLU 17 3.738 -2.792 0.061
100 HB2 GLU 17 1HB GLU 17 2.392 -1.708 2.532
101 HB3 GLU 17 2HB GLU 17 3.882 -1.150 1.785
102 HG2 GLU 17 1HG GLU 17 2.343 -0.665 -0.261
103 HG3 GLU 17 2HG GLU 17 1.060 -0.699 0.947
104 H CYS 18 H CYS 18 1.989 -3.783 3.011
105 HA CYS 18 HA CYS 18 4.308 -5.457 3.711
106 HB2 CYS 18 1HB CYS 18 3.393 -5.354 6.045
107 HB3 CYS 18 2HB CYS 18 3.918 -3.800 5.403
108 H GLY 19 H GLY 19 0.779 -5.376 3.526
109 HA2 GLY 19 1HA GLY 19 -0.366 -7.325 2.642
110 HA3 GLY 19 2HA GLY 19 0.817 -8.326 3.470
111 H LYS 20 H LYS 20 -1.553 -5.780 4.264
112 HA LYS 20 HA LYS 20 -2.487 -7.481 6.474
113 HB2 LYS 20 1HB LYS 20 -0.984 -5.477 7.134
114 HB3 LYS 20 2HB LYS 20 -2.381 -4.488 6.726
115 HG2 LYS 20 1HG LYS 20 -3.627 -5.276 8.491
116 HG3 LYS 20 2HG LYS 20 -2.708 -6.780 8.606
117 HD2 LYS 20 1HD LYS 20 -0.792 -5.547 9.487
118 HD3 LYS 20 2HD LYS 20 -1.694 -4.035 9.351
119 HE2 LYS 20 1HE LYS 20 -2.596 -6.379 11.016
120 HE3 LYS 20 2HE LYS 20 -1.634 -5.045 11.650
121 HZ1 LYS 20 3HZ LYS 20 -4.361 -5.145 11.497
122 HZ2 LYS 20 1HZ LYS 20 -3.925 -4.124 10.220
123 HZ3 LYS 20 2HZ LYS 20 -3.427 -3.767 11.796
124 H ALA 21 H ALA 21 -4.620 -7.792 6.497
125 HA ALA 21 HA ALA 21 -6.267 -6.212 4.659
126 HB1 ALA 21 3HB ALA 21 -7.176 -8.162 4.125
127 HB2 ALA 21 1HB ALA 21 -6.154 -8.971 5.313
128 HB3 ALA 21 2HB ALA 21 -7.740 -8.359 5.784
129 H PHE 22 H PHE 22 -8.026 -5.055 5.309
130 HA PHE 22 HA PHE 22 -8.566 -4.964 8.203
131 HB2 PHE 22 1HB PHE 22 -8.561 -2.637 6.269
132 HB3 PHE 22 2HB PHE 22 -9.005 -2.548 7.970
133 HD1 PHE 22 HD1 PHE 22 -6.207 -3.264 5.660
134 HD2 PHE 22 HD2 PHE 22 -7.375 -2.286 9.634
135 HE1 PHE 22 HE1 PHE 22 -3.853 -2.848 6.246
136 HE2 PHE 22 HE2 PHE 22 -5.024 -1.868 10.227
137 HZ PHE 22 HZ PHE 22 -3.260 -2.148 8.531
138 H SER 23 H SER 23 -10.662 -4.989 8.835
139 HA SER 23 HA SER 23 -12.632 -5.973 7.123
140 HB2 SER 23 1HB SER 23 -12.658 -4.780 9.868
141 HB3 SER 23 2HB SER 23 -14.192 -5.068 9.048
142 HG SER 23 HG SER 23 -13.043 -6.812 10.420
143 H GLN 24 H GLN 24 -12.009 -2.670 8.233
144 HA GLN 24 HA GLN 24 -14.146 -1.675 6.499
145 HB2 GLN 24 1HB GLN 24 -12.616 -0.543 8.803
146 HB3 GLN 24 2HB GLN 24 -13.338 0.561 7.639
147 HG2 GLN 24 1HG GLN 24 -15.481 -0.878 8.064
148 HG3 GLN 24 2HG GLN 24 -14.649 -1.293 9.561
149 HE21 GLN 24 1HE2 GLN 24 -16.872 -0.111 10.036
150 HE22 GLN 24 2HE2 GLN 24 -16.696 1.564 10.420
151 H THR 25 H THR 25 -13.639 0.389 5.292
152 HA THR 25 HA THR 25 -11.268 -0.070 3.686
153 HB THR 25 HB THR 25 -12.180 1.786 2.269
154 HG1 THR 25 HG1 THR 25 -14.458 2.294 2.806
155 HG21 THR 25 3HG2 THR 25 -14.520 0.069 2.427
156 HG22 THR 25 1HG2 THR 25 -13.015 -0.846 2.485
157 HG23 THR 25 2HG2 THR 25 -13.334 0.241 1.134
158 H THR 26 H THR 26 -12.654 2.585 5.602
159 HA THR 26 HA THR 26 -10.633 4.459 5.213
160 HB THR 26 HB THR 26 -12.693 5.132 6.257
161 HG1 THR 26 HG1 THR 26 -10.557 6.086 6.938
162 HG21 THR 26 3HG2 THR 26 -11.899 3.300 8.522
163 HG22 THR 26 1HG2 THR 26 -13.271 3.096 7.433
164 HG23 THR 26 2HG2 THR 26 -13.243 4.441 8.573
165 H HIS 27 H HIS 27 -10.680 1.593 7.147
166 HA HIS 27 HA HIS 27 -8.605 2.284 8.954
167 HB2 HIS 27 1HB HIS 27 -10.343 0.311 8.997
168 HB3 HIS 27 2HB HIS 27 -9.086 -0.549 8.112
169 HD1 HIS 27 HD1 HIS 27 -10.019 -1.300 11.014
170 HD2 HIS 27 HD2 HIS 27 -6.672 0.971 10.067
171 HE1 HIS 27 HE1 HIS 27 -8.475 -1.524 12.986
172 H LEU 28 H LEU 28 -8.652 0.655 5.816
173 HA LEU 28 HA LEU 28 -5.904 -0.020 5.774
174 HB2 LEU 28 1HB LEU 28 -7.418 -1.162 4.325
175 HB3 LEU 28 2HB LEU 28 -7.929 0.350 3.577
176 HG LEU 28 HG LEU 28 -5.620 0.574 2.642
177 HD11 LEU 28 1HD1 LEU 28 -4.170 -1.354 2.610
178 HD12 LEU 28 2HD1 LEU 28 -5.329 -2.283 3.560
179 HD13 LEU 28 3HD1 LEU 28 -4.508 -0.898 4.280
180 HD21 LEU 28 3HD2 LEU 28 -6.576 -0.260 0.823
181 HD22 LEU 28 1HD2 LEU 28 -7.764 -1.095 1.824
182 HD23 LEU 28 2HD2 LEU 28 -6.253 -1.897 1.395
183 H ILE 29 H ILE 29 -7.704 2.656 4.263
184 HA ILE 29 HA ILE 29 -5.602 3.948 3.017
185 HB ILE 29 HB ILE 29 -7.984 5.233 4.358
186 HG12 ILE 29 1HG1 ILE 29 -7.665 4.584 1.433
187 HG13 ILE 29 2HG1 ILE 29 -8.356 3.429 2.567
188 HG21 ILE 29 1HG2 ILE 29 -7.586 7.154 3.022
189 HG22 ILE 29 2HG2 ILE 29 -6.057 6.751 3.803
190 HG23 ILE 29 3HG2 ILE 29 -6.318 6.337 2.109
191 HD11 ILE 29 3HD1 ILE 29 -10.296 4.550 2.728
192 HD12 ILE 29 1HD1 ILE 29 -9.520 6.130 2.619
193 HD13 ILE 29 2HD1 ILE 29 -9.805 5.184 1.157
194 H GLN 30 H GLN 30 -6.740 4.304 6.358
195 HA GLN 30 HA GLN 30 -4.893 6.328 7.073
196 HB2 GLN 30 1HB GLN 30 -6.609 4.419 8.629
197 HB3 GLN 30 2HB GLN 30 -5.441 5.444 9.453
198 HG2 GLN 30 1HG GLN 30 -6.562 7.392 8.897
199 HG3 GLN 30 2HG GLN 30 -7.425 6.631 7.562
200 HE21 GLN 30 1HE2 GLN 30 -8.826 8.129 9.299
201 HE22 GLN 30 2HE2 GLN 30 -9.815 7.133 10.306
202 H HIS 31 H HIS 31 -4.817 2.809 7.255
203 HA HIS 31 HA HIS 31 -2.495 2.530 8.800
204 HB2 HIS 31 1HB HIS 31 -3.622 0.532 8.577
205 HB3 HIS 31 2HB HIS 31 -3.967 0.793 6.870
206 HD1 HIS 31 HD1 HIS 31 -1.344 -0.533 9.181
207 HD2 HIS 31 HD2 HIS 31 -2.000 -0.115 5.100
208 HE1 HIS 31 HE1 HIS 31 0.427 -1.930 8.069
209 H GLN 32 H GLN 32 -2.885 2.535 5.260
210 HA GLN 32 HA GLN 32 -0.383 2.112 4.364
211 HB2 GLN 32 1HB GLN 32 -2.158 4.357 3.392
212 HB3 GLN 32 2HB GLN 32 -0.852 3.607 2.485
213 HG2 GLN 32 1HG GLN 32 -2.261 1.422 2.973
214 HG3 GLN 32 2HG GLN 32 -3.570 2.596 3.092
215 HE21 GLN 32 1HE2 GLN 32 -2.882 0.469 1.098
216 HE22 GLN 32 2HE2 GLN 32 -2.910 1.276 -0.428
217 H ARG 33 H ARG 33 -1.458 4.898 6.150
218 HA ARG 33 HA ARG 33 0.474 6.775 5.604
219 HB2 ARG 33 1HB ARG 33 -0.779 6.100 8.271
220 HB3 ARG 33 2HB ARG 33 0.146 7.561 7.952
221 HG2 ARG 33 1HG ARG 33 -2.160 6.945 6.184
222 HG3 ARG 33 2HG ARG 33 -2.481 7.531 7.818
223 HD2 ARG 33 1HD ARG 33 -0.530 8.938 6.031
224 HD3 ARG 33 2HD ARG 33 -2.261 9.241 5.894
225 HE ARG 33 HE ARG 33 -1.370 9.478 8.585
226 HH11 ARG 33 1HH1 ARG 33 -1.452 11.133 5.523
227 HH12 ARG 33 2HH1 ARG 33 -1.376 12.714 6.228
228 HH21 ARG 33 1HH2 ARG 33 -1.270 11.554 9.525
229 HH22 ARG 33 2HH2 ARG 33 -1.272 12.952 8.504
230 H VAL 34 H VAL 34 0.670 4.090 7.921
231 HA VAL 34 HA VAL 34 3.094 4.576 9.100
232 HB VAL 34 HB VAL 34 3.322 2.207 9.487
233 HG11 VAL 34 1HG1 VAL 34 0.702 3.525 9.737
234 HG12 VAL 34 2HG1 VAL 34 0.697 1.773 9.944
235 HG13 VAL 34 3HG1 VAL 34 1.722 2.781 10.967
236 HG21 VAL 34 3HG2 VAL 34 1.954 2.017 6.949
237 HG22 VAL 34 1HG2 VAL 34 2.906 0.806 7.808
238 HG23 VAL 34 2HG2 VAL 34 1.190 0.998 8.168
239 H HIS 35 H HIS 35 2.473 3.636 5.823
240 HA HIS 35 HA HIS 35 5.273 2.987 5.329
241 HB2 HIS 35 1HB HIS 35 2.856 2.940 3.512
242 HB3 HIS 35 2HB HIS 35 4.481 2.477 3.019
243 HD1 HIS 35 HD1 HIS 35 5.511 0.428 4.571
244 HD2 HIS 35 HD2 HIS 35 1.382 0.863 4.417
245 HE1 HIS 35 HE1 HIS 35 4.574 -1.781 5.323
246 H THR 36 H THR 36 2.955 5.532 4.781
247 HA THR 36 HA THR 36 5.012 7.067 3.332
248 HB THR 36 HB THR 36 3.013 6.703 1.973
249 HG1 THR 36 HG1 THR 36 3.563 9.311 2.922
250 HG21 THR 36 3HG2 THR 36 1.580 8.040 4.268
251 HG22 THR 36 1HG2 THR 36 1.325 6.406 3.655
252 HG23 THR 36 2HG2 THR 36 0.874 7.798 2.670
253 H GLY 37 H GLY 37 5.174 6.954 6.087
254 HA2 GLY 37 1HA GLY 37 5.371 9.609 6.834
255 HA3 GLY 37 2HA GLY 37 3.782 9.083 7.369
256 H GLU 38 H GLU 38 7.149 7.903 7.428
257 HA GLU 38 HA GLU 38 6.707 6.470 9.878
258 HB2 GLU 38 1HB GLU 38 9.277 7.090 8.411
259 HB3 GLU 38 2HB GLU 38 9.117 5.967 9.753
260 HG2 GLU 38 1HG GLU 38 7.406 5.561 7.359
261 HG3 GLU 38 2HG GLU 38 9.116 5.144 7.259
262 H LYS 39 H LYS 39 6.795 9.626 9.402
263 HA LYS 39 HA LYS 39 8.358 10.187 11.837
264 HB2 LYS 39 1HB LYS 39 9.130 11.240 9.653
265 HB3 LYS 39 2HB LYS 39 7.654 12.194 9.698
266 HG2 LYS 39 1HG LYS 39 8.342 13.134 11.858
267 HG3 LYS 39 2HG LYS 39 9.839 12.203 11.771
268 HD2 LYS 39 1HD LYS 39 10.326 13.369 9.602
269 HD3 LYS 39 2HD LYS 39 8.937 14.409 9.926
270 HE2 LYS 39 1HE LYS 39 11.299 14.087 11.773
271 HE3 LYS 39 2HE LYS 39 11.121 15.394 10.602
272 HZ1 LYS 39 3HZ LYS 39 10.195 16.425 12.358
273 HZ2 LYS 39 1HZ LYS 39 9.778 14.987 13.145
274 HZ3 LYS 39 2HZ LYS 39 8.807 15.577 11.892
275 HA PRO 40 HA PRO 40 4.567 11.330 13.779
276 HB2 PRO 40 1HB PRO 40 5.593 12.811 15.810
277 HB3 PRO 40 2HB PRO 40 5.683 11.046 15.767
278 HG2 PRO 40 1HG PRO 40 7.767 13.067 15.037
279 HG3 PRO 40 2HG PRO 40 7.942 11.562 15.960
280 HD2 PRO 40 1HD PRO 40 8.621 11.756 13.345
281 HD3 PRO 40 2HD PRO 40 7.994 10.257 14.061
282 H SER 41 H SER 41 3.568 13.411 14.747
283 HA SER 41 HA SER 41 3.462 15.352 12.674
284 HB2 SER 41 1HB SER 41 2.251 15.241 15.437
285 HB3 SER 41 2HB SER 41 1.976 16.588 14.333
286 HG SER 41 HG SER 41 1.362 14.758 12.813
287 H GLY 42 H GLY 42 3.579 17.764 13.257
288 HA2 GLY 42 1HA GLY 42 6.275 18.310 14.064
289 HA3 GLY 42 2HA GLY 42 5.073 19.495 13.574
290 HA PRO 43 HA PRO 43 5.701 19.137 18.342
291 HB2 PRO 43 1HB PRO 43 7.782 20.834 18.743
292 HB3 PRO 43 2HB PRO 43 7.992 19.095 18.506
293 HG2 PRO 43 1HG PRO 43 8.306 21.327 16.536
294 HG3 PRO 43 2HG PRO 43 9.334 19.903 16.787
295 HD2 PRO 43 1HD PRO 43 7.518 20.054 14.784
296 HD3 PRO 43 2HD PRO 43 7.934 18.524 15.583
297 H SER 44 H SER 44 5.011 21.294 15.944
298 HA SER 44 HA SER 44 4.955 23.824 16.791
299 HB2 SER 44 1HB SER 44 3.027 24.202 15.495
300 HB3 SER 44 2HB SER 44 3.747 22.765 14.771
301 HG SER 44 HG SER 44 2.230 21.737 16.509
302 H SER 45 H SER 45 4.383 24.898 18.555
303 HA SER 45 HA SER 45 2.847 23.564 20.617
304 HB2 SER 45 1HB SER 45 4.904 24.881 21.143
305 HB3 SER 45 2HB SER 45 4.051 26.341 20.645
306 HG SER 45 HG SER 45 4.076 25.597 23.001
307 H GLY 46 H GLY 46 2.576 26.497 18.633
308 HA2 GLY 46 1HA GLY 46 0.281 27.613 19.643
309 HA3 GLY 46 2HA GLY 46 0.711 27.653 17.940
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -2.832 -33.067 -3.149
2 HA2 GLY 1 1HA GLY 1 -0.289 -31.868 -2.327
3 HA3 GLY 1 2HA GLY 1 -0.455 -32.354 -4.008
4 H SER 2 H SER 2 0.083 -29.737 -3.331
5 HA SER 2 HA SER 2 -0.575 -27.611 -3.804
6 HB2 SER 2 1HB SER 2 -2.942 -28.954 -5.132
7 HB3 SER 2 2HB SER 2 -2.425 -27.287 -5.378
8 HG SER 2 HG SER 2 -1.279 -29.666 -6.286
9 H SER 3 H SER 3 -1.184 -28.575 -1.280
10 HA SER 3 HA SER 3 -3.767 -27.268 -0.721
11 HB2 SER 3 1HB SER 3 -2.483 -29.685 0.522
12 HB3 SER 3 2HB SER 3 -3.652 -28.725 1.429
13 HG SER 3 HG SER 3 -4.105 -29.911 -1.111
14 H GLY 4 H GLY 4 -3.811 -26.615 1.741
15 HA2 GLY 4 1HA GLY 4 -2.690 -25.620 3.569
16 HA3 GLY 4 2HA GLY 4 -1.223 -25.558 2.604
17 H SER 5 H SER 5 -4.533 -24.232 2.558
18 HA SER 5 HA SER 5 -3.455 -21.751 1.427
19 HB2 SER 5 1HB SER 5 -5.348 -22.783 0.236
20 HB3 SER 5 2HB SER 5 -6.328 -22.670 1.698
21 HG SER 5 HG SER 5 -5.315 -20.569 0.098
22 H SER 6 H SER 6 -2.807 -22.144 4.066
23 HA SER 6 HA SER 6 -4.578 -21.170 5.980
24 HB2 SER 6 1HB SER 6 -2.666 -20.807 7.381
25 HB3 SER 6 2HB SER 6 -2.325 -22.233 6.401
26 HG SER 6 HG SER 6 -1.378 -20.402 4.947
27 H GLY 7 H GLY 7 -5.653 -19.312 5.926
28 HA2 GLY 7 1HA GLY 7 -4.162 -16.836 5.503
29 HA3 GLY 7 2HA GLY 7 -5.500 -17.152 4.407
30 H THR 8 H THR 8 -4.620 -15.672 7.244
31 HA THR 8 HA THR 8 -7.282 -15.874 8.449
32 HB THR 8 HB THR 8 -5.792 -16.111 10.187
33 HG1 THR 8 HG1 THR 8 -6.009 -14.275 11.377
34 HG21 THR 8 3HG2 THR 8 -3.737 -15.824 8.976
35 HG22 THR 8 1HG2 THR 8 -3.689 -14.777 10.393
36 HG23 THR 8 2HG2 THR 8 -4.025 -14.093 8.803
37 H GLY 9 H GLY 9 -8.283 -14.617 6.739
38 HA2 GLY 9 1HA GLY 9 -8.780 -11.976 7.419
39 HA3 GLY 9 2HA GLY 9 -7.515 -11.934 6.200
40 H GLU 10 H GLU 10 -7.982 -12.535 4.079
41 HA GLU 10 HA GLU 10 -9.251 -12.814 2.210
42 HB2 GLU 10 1HB GLU 10 -10.119 -14.769 3.762
43 HB3 GLU 10 2HB GLU 10 -11.582 -13.795 3.799
44 HG2 GLU 10 1HG GLU 10 -11.600 -13.834 1.316
45 HG3 GLU 10 2HG GLU 10 -10.234 -14.947 1.369
46 H LYS 11 H LYS 11 -9.276 -10.337 3.608
47 HA LYS 11 HA LYS 11 -12.024 -9.371 3.354
48 HB2 LYS 11 1HB LYS 11 -9.579 -7.862 4.287
49 HB3 LYS 11 2HB LYS 11 -11.256 -7.359 4.451
50 HG2 LYS 11 1HG LYS 11 -10.434 -9.941 5.672
51 HG3 LYS 11 2HG LYS 11 -9.937 -8.438 6.454
52 HD2 LYS 11 1HD LYS 11 -12.078 -7.856 7.005
53 HD3 LYS 11 2HD LYS 11 -12.778 -8.700 5.622
54 HE2 LYS 11 1HE LYS 11 -12.171 -10.855 6.761
55 HE3 LYS 11 2HE LYS 11 -11.742 -9.904 8.182
56 HZ1 LYS 11 3HZ LYS 11 -14.374 -10.487 7.062
57 HZ2 LYS 11 1HZ LYS 11 -14.157 -8.964 7.767
58 HZ3 LYS 11 2HZ LYS 11 -13.889 -10.364 8.678
59 HA PRO 12 HA PRO 12 -11.407 -7.525 -0.585
60 HB2 PRO 12 1HB PRO 12 -13.113 -5.420 -0.411
61 HB3 PRO 12 2HB PRO 12 -13.663 -7.090 -0.587
62 HG2 PRO 12 1HG PRO 12 -13.474 -5.409 1.882
63 HG3 PRO 12 2HG PRO 12 -14.773 -6.502 1.370
64 HD2 PRO 12 1HD PRO 12 -12.917 -7.207 3.212
65 HD3 PRO 12 2HD PRO 12 -13.652 -8.379 2.099
66 H TYR 13 H TYR 13 -10.375 -6.106 2.260
67 HA TYR 13 HA TYR 13 -9.015 -3.957 0.773
68 HB2 TYR 13 1HB TYR 13 -9.833 -3.729 3.667
69 HB3 TYR 13 2HB TYR 13 -9.253 -2.454 2.602
70 HD1 TYR 13 HD2 TYR 13 -10.780 -2.208 0.382
71 HD2 TYR 13 HD1 TYR 13 -12.085 -3.726 4.136
72 HE1 TYR 13 HE2 TYR 13 -13.099 -1.632 -0.199
73 HE2 TYR 13 HE1 TYR 13 -14.409 -3.156 3.565
74 HH TYR 13 HH TYR 13 -15.709 -1.946 2.130
75 H GLU 14 H GLU 14 -6.936 -4.464 0.646
76 HA GLU 14 HA GLU 14 -5.564 -5.379 3.073
77 HB2 GLU 14 1HB GLU 14 -6.132 -7.197 1.232
78 HB3 GLU 14 2HB GLU 14 -4.712 -6.518 0.450
79 HG2 GLU 14 1HG GLU 14 -3.331 -7.068 2.315
80 HG3 GLU 14 2HG GLU 14 -4.731 -7.544 3.275
81 H CYS 15 H CYS 15 -3.232 -5.026 3.021
82 HA CYS 15 HA CYS 15 -2.594 -2.581 1.545
83 HB2 CYS 15 1HB CYS 15 -2.314 -2.624 4.021
84 HB3 CYS 15 2HB CYS 15 -1.089 -3.873 3.827
85 H LYS 16 H LYS 16 -1.419 -2.700 -0.238
86 HA LYS 16 HA LYS 16 0.025 -5.128 -0.886
87 HB2 LYS 16 1HB LYS 16 -0.707 -2.634 -2.381
88 HB3 LYS 16 2HB LYS 16 0.540 -3.700 -3.014
89 HG2 LYS 16 1HG LYS 16 -2.067 -4.889 -2.225
90 HG3 LYS 16 2HG LYS 16 -1.979 -3.955 -3.720
91 HD2 LYS 16 1HD LYS 16 -0.091 -5.383 -4.450
92 HD3 LYS 16 2HD LYS 16 -0.299 -6.354 -2.990
93 HE2 LYS 16 1HE LYS 16 -2.705 -6.690 -3.756
94 HE3 LYS 16 2HE LYS 16 -2.187 -6.032 -5.307
95 HZ1 LYS 16 3HZ LYS 16 -1.194 -7.935 -5.846
96 HZ2 LYS 16 1HZ LYS 16 -2.039 -8.638 -4.560
97 HZ3 LYS 16 2HZ LYS 16 -0.453 -8.097 -4.334
98 H GLU 17 H GLU 17 0.994 -3.435 1.301
99 HA GLU 17 HA GLU 17 3.657 -2.799 0.212
100 HB2 GLU 17 1HB GLU 17 2.467 -1.459 2.633
101 HB3 GLU 17 2HB GLU 17 3.878 -0.972 1.705
102 HG2 GLU 17 1HG GLU 17 1.251 -1.067 0.326
103 HG3 GLU 17 2HG GLU 17 1.564 0.252 1.453
104 H CYS 18 H CYS 18 1.784 -4.164 2.837
105 HA CYS 18 HA CYS 18 4.229 -5.475 3.818
106 HB2 CYS 18 1HB CYS 18 3.275 -5.331 6.124
107 HB3 CYS 18 2HB CYS 18 3.701 -3.768 5.434
108 H GLY 19 H GLY 19 0.684 -5.561 3.687
109 HA2 GLY 19 1HA GLY 19 -0.328 -7.606 2.787
110 HA3 GLY 19 2HA GLY 19 0.868 -8.510 3.705
111 H LYS 20 H LYS 20 -1.530 -5.956 4.387
112 HA LYS 20 HA LYS 20 -2.552 -7.640 6.572
113 HB2 LYS 20 1HB LYS 20 -1.108 -5.806 7.447
114 HB3 LYS 20 2HB LYS 20 -2.197 -4.640 6.705
115 HG2 LYS 20 1HG LYS 20 -3.981 -5.270 8.147
116 HG3 LYS 20 2HG LYS 20 -3.074 -6.655 8.759
117 HD2 LYS 20 1HD LYS 20 -1.359 -4.984 9.593
118 HD3 LYS 20 2HD LYS 20 -2.545 -3.729 9.229
119 HE2 LYS 20 1HE LYS 20 -2.971 -6.067 11.088
120 HE3 LYS 20 2HE LYS 20 -2.616 -4.414 11.586
121 HZ1 LYS 20 3HZ LYS 20 -4.782 -4.030 11.548
122 HZ2 LYS 20 1HZ LYS 20 -5.106 -5.566 10.917
123 HZ3 LYS 20 2HZ LYS 20 -4.787 -4.274 9.874
124 H ALA 21 H ALA 21 -4.712 -7.840 6.661
125 HA ALA 21 HA ALA 21 -6.285 -6.325 4.700
126 HB1 ALA 21 3HB ALA 21 -6.175 -8.993 5.068
127 HB2 ALA 21 1HB ALA 21 -7.544 -8.588 6.103
128 HB3 ALA 21 2HB ALA 21 -7.571 -8.151 4.394
129 H PHE 22 H PHE 22 -7.978 -5.057 5.277
130 HA PHE 22 HA PHE 22 -8.606 -4.875 8.149
131 HB2 PHE 22 1HB PHE 22 -8.587 -2.566 6.197
132 HB3 PHE 22 2HB PHE 22 -8.848 -2.480 7.936
133 HD1 PHE 22 HD1 PHE 22 -6.309 -3.543 5.431
134 HD2 PHE 22 HD2 PHE 22 -7.069 -2.024 9.334
135 HE1 PHE 22 HE1 PHE 22 -3.894 -3.220 5.771
136 HE2 PHE 22 HE2 PHE 22 -4.655 -1.697 9.680
137 HZ PHE 22 HZ PHE 22 -3.064 -2.295 7.898
138 H SER 23 H SER 23 -10.685 -5.080 8.676
139 HA SER 23 HA SER 23 -12.638 -5.936 6.930
140 HB2 SER 23 1HB SER 23 -14.256 -5.460 8.710
141 HB3 SER 23 2HB SER 23 -12.788 -6.169 9.381
142 HG SER 23 HG SER 23 -13.466 -4.369 10.598
143 H GLN 24 H GLN 24 -11.917 -2.642 7.981
144 HA GLN 24 HA GLN 24 -13.960 -1.627 6.131
145 HB2 GLN 24 1HB GLN 24 -12.573 -0.410 8.508
146 HB3 GLN 24 2HB GLN 24 -13.441 0.581 7.343
147 HG2 GLN 24 1HG GLN 24 -15.419 -0.999 7.796
148 HG3 GLN 24 2HG GLN 24 -14.510 -1.477 9.230
149 HE21 GLN 24 1HE2 GLN 24 -17.041 -0.238 9.253
150 HE22 GLN 24 2HE2 GLN 24 -16.873 1.305 10.011
151 H THR 25 H THR 25 -13.459 -0.107 4.556
152 HA THR 25 HA THR 25 -10.918 -0.358 3.344
153 HB THR 25 HB THR 25 -12.883 0.097 1.992
154 HG1 THR 25 HG1 THR 25 -11.962 2.186 1.005
155 HG21 THR 25 3HG2 THR 25 -14.120 2.119 2.078
156 HG22 THR 25 1HG2 THR 25 -12.953 2.872 3.163
157 HG23 THR 25 2HG2 THR 25 -13.980 1.561 3.744
158 H THR 26 H THR 26 -12.426 2.248 5.213
159 HA THR 26 HA THR 26 -10.399 4.157 4.924
160 HB THR 26 HB THR 26 -12.492 4.869 5.819
161 HG1 THR 26 HG1 THR 26 -10.393 5.715 6.756
162 HG21 THR 26 3HG2 THR 26 -12.294 2.478 7.370
163 HG22 THR 26 1HG2 THR 26 -13.682 3.543 7.155
164 HG23 THR 26 2HG2 THR 26 -12.530 3.846 8.456
165 H HIS 27 H HIS 27 -10.614 1.329 6.931
166 HA HIS 27 HA HIS 27 -8.639 2.032 8.834
167 HB2 HIS 27 1HB HIS 27 -9.974 -0.491 7.978
168 HB3 HIS 27 2HB HIS 27 -8.483 -0.626 8.906
169 HD1 HIS 27 HD1 HIS 27 -9.728 -1.598 10.945
170 HD2 HIS 27 HD2 HIS 27 -11.006 2.196 9.833
171 HE1 HIS 27 HE1 HIS 27 -11.140 -0.777 12.857
172 H LEU 28 H LEU 28 -8.507 0.330 5.737
173 HA LEU 28 HA LEU 28 -5.772 -0.375 5.878
174 HB2 LEU 28 1HB LEU 28 -7.191 -1.526 4.352
175 HB3 LEU 28 2HB LEU 28 -7.657 -0.022 3.560
176 HG LEU 28 HG LEU 28 -5.391 0.198 2.653
177 HD11 LEU 28 1HD1 LEU 28 -4.155 -0.934 4.408
178 HD12 LEU 28 2HD1 LEU 28 -3.815 -1.670 2.843
179 HD13 LEU 28 3HD1 LEU 28 -4.907 -2.469 3.974
180 HD21 LEU 28 3HD2 LEU 28 -5.566 -1.498 0.990
181 HD22 LEU 28 1HD2 LEU 28 -7.206 -1.042 1.451
182 HD23 LEU 28 2HD2 LEU 28 -6.502 -2.539 2.063
183 H ILE 29 H ILE 29 -7.424 2.286 4.179
184 HA ILE 29 HA ILE 29 -5.171 3.523 3.118
185 HB ILE 29 HB ILE 29 -7.706 4.858 4.074
186 HG12 ILE 29 1HG1 ILE 29 -7.075 4.096 1.237
187 HG13 ILE 29 2HG1 ILE 29 -7.795 2.926 2.337
188 HG21 ILE 29 1HG2 ILE 29 -5.748 5.820 1.998
189 HG22 ILE 29 2HG2 ILE 29 -7.147 6.680 2.637
190 HG23 ILE 29 3HG2 ILE 29 -5.755 6.369 3.674
191 HD11 ILE 29 3HD1 ILE 29 -9.157 4.694 0.762
192 HD12 ILE 29 1HD1 ILE 29 -9.808 3.857 2.171
193 HD13 ILE 29 2HD1 ILE 29 -9.166 5.492 2.334
194 H GLN 30 H GLN 30 -6.760 4.047 6.249
195 HA GLN 30 HA GLN 30 -5.101 6.138 7.126
196 HB2 GLN 30 1HB GLN 30 -6.747 4.100 8.616
197 HB3 GLN 30 2HB GLN 30 -5.851 5.370 9.439
198 HG2 GLN 30 1HG GLN 30 -7.779 6.049 7.260
199 HG3 GLN 30 2HG GLN 30 -8.350 5.719 8.895
200 HE21 GLN 30 1HE2 GLN 30 -8.628 8.177 7.545
201 HE22 GLN 30 2HE2 GLN 30 -7.721 9.366 8.409
202 H HIS 31 H HIS 31 -4.631 2.710 6.991
203 HA HIS 31 HA HIS 31 -2.429 2.682 8.853
204 HB2 HIS 31 1HB HIS 31 -3.475 0.624 8.849
205 HB3 HIS 31 2HB HIS 31 -3.784 0.666 7.115
206 HD1 HIS 31 HD1 HIS 31 -1.262 -0.382 9.635
207 HD2 HIS 31 HD2 HIS 31 -1.641 -0.225 5.500
208 HE1 HIS 31 HE1 HIS 31 0.621 -1.784 8.733
209 H GLN 32 H GLN 32 -2.864 2.752 5.362
210 HA GLN 32 HA GLN 32 -0.306 2.183 4.495
211 HB2 GLN 32 1HB GLN 32 -2.455 3.982 3.422
212 HB3 GLN 32 2HB GLN 32 -0.896 3.879 2.615
213 HG2 GLN 32 1HG GLN 32 -1.198 1.642 2.049
214 HG3 GLN 32 2HG GLN 32 -2.479 1.418 3.240
215 HE21 GLN 32 1HE2 GLN 32 -3.829 0.558 1.634
216 HE22 GLN 32 2HE2 GLN 32 -4.610 1.571 0.474
217 H ARG 33 H ARG 33 -1.415 4.905 6.263
218 HA ARG 33 HA ARG 33 0.428 6.863 5.502
219 HB2 ARG 33 1HB ARG 33 -1.071 6.335 8.053
220 HB3 ARG 33 2HB ARG 33 0.074 7.665 7.939
221 HG2 ARG 33 1HG ARG 33 -1.804 8.781 7.355
222 HG3 ARG 33 2HG ARG 33 -1.349 8.187 5.757
223 HD2 ARG 33 1HD ARG 33 -2.813 6.178 6.236
224 HD3 ARG 33 2HD ARG 33 -3.412 7.065 7.637
225 HE ARG 33 HE ARG 33 -4.129 7.483 4.908
226 HH11 ARG 33 1HH1 ARG 33 -3.701 9.081 7.971
227 HH12 ARG 33 2HH1 ARG 33 -4.815 10.357 7.610
228 HH21 ARG 33 1HH2 ARG 33 -5.599 9.158 4.420
229 HH22 ARG 33 2HH2 ARG 33 -5.896 10.399 5.590
230 H VAL 34 H VAL 34 0.718 4.156 7.720
231 HA VAL 34 HA VAL 34 3.094 4.883 9.008
232 HB VAL 34 HB VAL 34 3.256 2.682 9.769
233 HG11 VAL 34 1HG1 VAL 34 0.752 3.920 9.703
234 HG12 VAL 34 2HG1 VAL 34 0.447 2.218 9.348
235 HG13 VAL 34 3HG1 VAL 34 1.300 2.673 10.823
236 HG21 VAL 34 3HG2 VAL 34 2.172 0.763 8.597
237 HG22 VAL 34 1HG2 VAL 34 1.800 1.856 7.263
238 HG23 VAL 34 2HG2 VAL 34 3.479 1.520 7.686
239 H HIS 35 H HIS 35 2.512 3.752 5.803
240 HA HIS 35 HA HIS 35 5.291 3.005 5.367
241 HB2 HIS 35 1HB HIS 35 2.896 3.007 3.522
242 HB3 HIS 35 2HB HIS 35 4.509 2.482 3.051
243 HD1 HIS 35 HD1 HIS 35 5.427 0.312 4.303
244 HD2 HIS 35 HD2 HIS 35 1.381 1.117 4.804
245 HE1 HIS 35 HE1 HIS 35 4.421 -1.819 5.179
246 H THR 36 H THR 36 4.385 5.804 5.965
247 HA THR 36 HA THR 36 4.930 7.239 3.503
248 HB THR 36 HB THR 36 3.250 8.129 5.061
249 HG1 THR 36 HG1 THR 36 4.616 9.541 3.723
250 HG21 THR 36 3HG2 THR 36 4.654 7.327 7.099
251 HG22 THR 36 1HG2 THR 36 3.698 8.802 7.236
252 HG23 THR 36 2HG2 THR 36 5.437 8.901 6.955
253 H GLY 37 H GLY 37 7.052 5.570 4.391
254 HA2 GLY 37 1HA GLY 37 9.371 6.085 4.044
255 HA3 GLY 37 2HA GLY 37 9.103 7.636 4.827
256 H GLU 38 H GLU 38 9.849 7.811 6.827
257 HA GLU 38 HA GLU 38 10.943 7.182 8.747
258 HB2 GLU 38 1HB GLU 38 8.329 6.934 9.056
259 HB3 GLU 38 2HB GLU 38 8.733 5.232 9.230
260 HG2 GLU 38 1HG GLU 38 10.136 5.683 11.106
261 HG3 GLU 38 2HG GLU 38 9.991 7.423 10.861
262 H LYS 39 H LYS 39 11.883 5.724 6.524
263 HA LYS 39 HA LYS 39 12.228 2.996 7.542
264 HB2 LYS 39 1HB LYS 39 12.469 4.278 4.864
265 HB3 LYS 39 2HB LYS 39 13.492 2.887 5.198
266 HG2 LYS 39 1HG LYS 39 11.449 1.609 5.809
267 HG3 LYS 39 2HG LYS 39 10.485 2.993 5.285
268 HD2 LYS 39 1HD LYS 39 10.482 1.733 3.368
269 HD3 LYS 39 2HD LYS 39 11.908 2.735 3.087
270 HE2 LYS 39 1HE LYS 39 12.495 0.491 2.547
271 HE3 LYS 39 2HE LYS 39 13.286 0.891 4.071
272 HZ1 LYS 39 3HZ LYS 39 10.771 -0.664 3.785
273 HZ2 LYS 39 1HZ LYS 39 11.529 -0.278 5.248
274 HZ3 LYS 39 2HZ LYS 39 12.294 -1.307 4.145
275 HA PRO 40 HA PRO 40 16.339 3.687 8.921
276 HB2 PRO 40 1HB PRO 40 17.475 1.277 8.402
277 HB3 PRO 40 2HB PRO 40 16.309 1.528 9.707
278 HG2 PRO 40 1HG PRO 40 15.873 0.399 6.969
279 HG3 PRO 40 2HG PRO 40 15.236 -0.163 8.526
280 HD2 PRO 40 1HD PRO 40 13.763 1.310 6.796
281 HD3 PRO 40 2HD PRO 40 13.563 1.422 8.557
282 H SER 41 H SER 41 17.553 5.083 7.781
283 HA SER 41 HA SER 41 18.057 5.188 5.105
284 HB2 SER 41 1HB SER 41 19.805 6.688 5.570
285 HB3 SER 41 2HB SER 41 18.762 6.818 6.986
286 HG SER 41 HG SER 41 20.739 6.543 7.833
287 H GLY 42 H GLY 42 19.128 3.999 3.665
288 HA2 GLY 42 1HA GLY 42 21.596 2.764 4.026
289 HA3 GLY 42 2HA GLY 42 20.370 1.558 4.388
290 HA PRO 43 HA PRO 43 20.250 0.595 0.104
291 HB2 PRO 43 1HB PRO 43 17.803 -0.576 -0.014
292 HB3 PRO 43 2HB PRO 43 19.207 -1.357 0.723
293 HG2 PRO 43 1HG PRO 43 16.950 0.110 2.034
294 HG3 PRO 43 2HG PRO 43 17.727 -1.410 2.516
295 HD2 PRO 43 1HD PRO 43 18.305 0.959 3.693
296 HD3 PRO 43 2HD PRO 43 19.508 -0.333 3.504
297 H SER 44 H SER 44 17.323 2.089 1.469
298 HA SER 44 HA SER 44 16.838 3.390 -1.122
299 HB2 SER 44 1HB SER 44 14.553 3.649 -0.472
300 HB3 SER 44 2HB SER 44 15.007 1.994 -0.064
301 HG SER 44 HG SER 44 13.850 3.133 1.615
302 H SER 45 H SER 45 16.491 5.613 -1.250
303 HA SER 45 HA SER 45 16.482 7.350 0.984
304 HB2 SER 45 1HB SER 45 18.715 8.389 0.637
305 HB3 SER 45 2HB SER 45 18.823 6.720 1.197
306 HG SER 45 HG SER 45 18.803 7.143 -1.555
307 H GLY 46 H GLY 46 17.022 9.696 0.203
308 HA2 GLY 46 1HA GLY 46 16.236 11.411 -1.117
309 HA3 GLY 46 2HA GLY 46 17.017 10.517 -2.413
Start of MODEL 15
1 H1 GLY 1 H GLY 1 7.356 -22.708 3.098
2 HA2 GLY 1 1HA GLY 1 8.284 -20.790 4.033
3 HA3 GLY 1 2HA GLY 1 7.241 -19.818 3.005
4 H SER 2 H SER 2 7.637 -19.072 5.596
5 HA SER 2 HA SER 2 5.662 -20.107 7.370
6 HB2 SER 2 1HB SER 2 7.811 -18.843 7.981
7 HB3 SER 2 2HB SER 2 6.919 -17.374 7.586
8 HG SER 2 HG SER 2 5.929 -17.531 9.425
9 H SER 3 H SER 3 3.551 -19.856 7.127
10 HA SER 3 HA SER 3 2.501 -17.225 6.403
11 HB2 SER 3 1HB SER 3 2.062 -19.769 4.883
12 HB3 SER 3 2HB SER 3 0.764 -18.578 4.965
13 HG SER 3 HG SER 3 2.181 -17.054 4.069
14 H GLY 4 H GLY 4 1.255 -16.687 8.067
15 HA2 GLY 4 1HA GLY 4 -0.893 -18.450 8.881
16 HA3 GLY 4 2HA GLY 4 0.317 -18.157 10.121
17 H SER 5 H SER 5 -2.626 -17.354 9.596
18 HA SER 5 HA SER 5 -2.314 -14.666 10.670
19 HB2 SER 5 1HB SER 5 -2.624 -14.703 8.053
20 HB3 SER 5 2HB SER 5 -4.314 -14.993 8.465
21 HG SER 5 HG SER 5 -2.788 -12.714 8.751
22 H SER 6 H SER 6 -3.829 -14.172 12.158
23 HA SER 6 HA SER 6 -5.507 -16.213 13.159
24 HB2 SER 6 1HB SER 6 -6.228 -14.604 14.794
25 HB3 SER 6 2HB SER 6 -4.510 -14.333 14.506
26 HG SER 6 HG SER 6 -5.369 -12.345 14.375
27 H GLY 7 H GLY 7 -7.419 -16.861 12.440
28 HA2 GLY 7 1HA GLY 7 -9.739 -16.297 11.996
29 HA3 GLY 7 2HA GLY 7 -9.169 -14.878 11.131
30 H THR 8 H THR 8 -10.957 -16.390 9.858
31 HA THR 8 HA THR 8 -9.344 -17.827 7.852
32 HB THR 8 HB THR 8 -10.672 -19.450 9.097
33 HG1 THR 8 HG1 THR 8 -11.940 -19.058 6.585
34 HG21 THR 8 3HG2 THR 8 -12.618 -17.405 9.096
35 HG22 THR 8 1HG2 THR 8 -12.719 -18.996 9.849
36 HG23 THR 8 2HG2 THR 8 -13.302 -18.763 8.201
37 H GLY 9 H GLY 9 -9.737 -17.377 5.731
38 HA2 GLY 9 1HA GLY 9 -11.110 -16.604 3.933
39 HA3 GLY 9 2HA GLY 9 -12.018 -15.638 5.087
40 H GLU 10 H GLU 10 -11.363 -14.309 2.935
41 HA GLU 10 HA GLU 10 -9.087 -12.641 3.771
42 HB2 GLU 10 1HB GLU 10 -8.489 -12.273 1.443
43 HB3 GLU 10 2HB GLU 10 -8.456 -13.991 1.812
44 HG2 GLU 10 1HG GLU 10 -10.529 -14.347 0.688
45 HG3 GLU 10 2HG GLU 10 -10.776 -12.613 0.487
46 H LYS 11 H LYS 11 -9.404 -10.474 3.740
47 HA LYS 11 HA LYS 11 -12.123 -9.550 3.348
48 HB2 LYS 11 1HB LYS 11 -9.661 -8.482 4.630
49 HB3 LYS 11 2HB LYS 11 -10.832 -7.310 4.038
50 HG2 LYS 11 1HG LYS 11 -11.399 -7.655 6.277
51 HG3 LYS 11 2HG LYS 11 -12.568 -8.613 5.365
52 HD2 LYS 11 1HD LYS 11 -10.051 -9.937 6.230
53 HD3 LYS 11 2HD LYS 11 -11.271 -9.599 7.459
54 HE2 LYS 11 1HE LYS 11 -12.879 -10.674 5.670
55 HE3 LYS 11 2HE LYS 11 -11.387 -11.426 5.108
56 HZ1 LYS 11 3HZ LYS 11 -12.990 -12.197 7.252
57 HZ2 LYS 11 1HZ LYS 11 -11.527 -11.652 7.904
58 HZ3 LYS 11 2HZ LYS 11 -11.530 -12.885 6.747
59 HA PRO 12 HA PRO 12 -11.622 -7.739 -0.619
60 HB2 PRO 12 1HB PRO 12 -13.226 -5.558 -0.410
61 HB3 PRO 12 2HB PRO 12 -13.855 -7.206 -0.527
62 HG2 PRO 12 1HG PRO 12 -13.480 -5.489 1.896
63 HG3 PRO 12 2HG PRO 12 -14.847 -6.534 1.466
64 HD2 PRO 12 1HD PRO 12 -12.939 -7.285 3.235
65 HD3 PRO 12 2HD PRO 12 -13.774 -8.444 2.181
66 H TYR 13 H TYR 13 -10.303 -6.397 2.103
67 HA TYR 13 HA TYR 13 -8.887 -4.376 0.516
68 HB2 TYR 13 1HB TYR 13 -9.823 -3.895 3.348
69 HB3 TYR 13 2HB TYR 13 -9.017 -2.747 2.286
70 HD1 TYR 13 HD2 TYR 13 -10.259 -2.095 0.119
71 HD2 TYR 13 HD1 TYR 13 -12.151 -3.974 3.434
72 HE1 TYR 13 HE2 TYR 13 -12.443 -1.297 -0.683
73 HE2 TYR 13 HE1 TYR 13 -14.341 -3.182 2.640
74 HH TYR 13 HH TYR 13 -15.346 -1.658 1.228
75 H GLU 14 H GLU 14 -6.748 -4.533 0.689
76 HA GLU 14 HA GLU 14 -5.479 -5.382 3.135
77 HB2 GLU 14 1HB GLU 14 -6.153 -7.505 1.895
78 HB3 GLU 14 2HB GLU 14 -4.977 -7.046 0.672
79 HG2 GLU 14 1HG GLU 14 -3.398 -6.875 2.791
80 HG3 GLU 14 2HG GLU 14 -4.562 -8.034 3.433
81 H CYS 15 H CYS 15 -3.549 -4.427 3.348
82 HA CYS 15 HA CYS 15 -2.653 -2.527 1.481
83 HB2 CYS 15 1HB CYS 15 -2.169 -2.371 3.884
84 HB3 CYS 15 2HB CYS 15 -1.143 -3.798 3.774
85 H LYS 16 H LYS 16 -1.663 -2.844 -0.388
86 HA LYS 16 HA LYS 16 -0.377 -5.381 -0.960
87 HB2 LYS 16 1HB LYS 16 -0.902 -2.950 -2.677
88 HB3 LYS 16 2HB LYS 16 -0.132 -4.420 -3.258
89 HG2 LYS 16 1HG LYS 16 -2.260 -4.858 -3.896
90 HG3 LYS 16 2HG LYS 16 -2.328 -5.518 -2.261
91 HD2 LYS 16 1HD LYS 16 -3.135 -3.225 -1.527
92 HD3 LYS 16 2HD LYS 16 -3.345 -2.861 -3.241
93 HE2 LYS 16 1HE LYS 16 -4.575 -5.284 -1.958
94 HE3 LYS 16 2HE LYS 16 -5.382 -3.717 -1.959
95 HZ1 LYS 16 3HZ LYS 16 -4.397 -4.609 -4.535
96 HZ2 LYS 16 1HZ LYS 16 -5.866 -3.874 -4.131
97 HZ3 LYS 16 2HZ LYS 16 -5.658 -5.535 -3.890
98 H GLU 17 H GLU 17 0.956 -3.898 1.007
99 HA GLU 17 HA GLU 17 3.484 -3.347 -0.385
100 HB2 GLU 17 1HB GLU 17 2.450 -1.741 1.956
101 HB3 GLU 17 2HB GLU 17 3.949 -1.472 1.078
102 HG2 GLU 17 1HG GLU 17 2.280 -1.257 -0.965
103 HG3 GLU 17 2HG GLU 17 1.160 -0.817 0.323
104 H CYS 18 H CYS 18 1.903 -4.103 2.693
105 HA CYS 18 HA CYS 18 4.335 -5.569 3.486
106 HB2 CYS 18 1HB CYS 18 3.681 -5.136 5.838
107 HB3 CYS 18 2HB CYS 18 4.012 -3.655 4.945
108 H GLY 19 H GLY 19 0.802 -5.492 3.567
109 HA2 GLY 19 1HA GLY 19 -0.352 -7.575 3.003
110 HA3 GLY 19 2HA GLY 19 0.851 -8.418 3.968
111 H LYS 20 H LYS 20 -1.552 -5.809 4.326
112 HA LYS 20 HA LYS 20 -2.399 -7.072 6.843
113 HB2 LYS 20 1HB LYS 20 -0.936 -4.994 7.145
114 HB3 LYS 20 2HB LYS 20 -2.285 -4.083 6.479
115 HG2 LYS 20 1HG LYS 20 -3.646 -4.514 8.307
116 HG3 LYS 20 2HG LYS 20 -2.687 -5.906 8.816
117 HD2 LYS 20 1HD LYS 20 -1.502 -3.154 8.793
118 HD3 LYS 20 2HD LYS 20 -2.492 -3.698 10.149
119 HE2 LYS 20 1HE LYS 20 -0.999 -5.479 10.632
120 HE3 LYS 20 2HE LYS 20 -0.127 -5.249 9.118
121 HZ1 LYS 20 3HZ LYS 20 0.248 -3.957 11.632
122 HZ2 LYS 20 1HZ LYS 20 0.036 -2.831 10.387
123 HZ3 LYS 20 2HZ LYS 20 1.263 -3.991 10.280
124 H ALA 21 H ALA 21 -4.466 -7.619 6.739
125 HA ALA 21 HA ALA 21 -6.215 -6.236 4.836
126 HB1 ALA 21 3HB ALA 21 -6.164 -8.606 4.528
127 HB2 ALA 21 1HB ALA 21 -6.494 -8.888 6.238
128 HB3 ALA 21 2HB ALA 21 -7.735 -8.179 5.205
129 H PHE 22 H PHE 22 -7.942 -5.064 5.457
130 HA PHE 22 HA PHE 22 -8.561 -4.980 8.337
131 HB2 PHE 22 1HB PHE 22 -8.646 -2.701 6.348
132 HB3 PHE 22 2HB PHE 22 -9.135 -2.596 8.036
133 HD1 PHE 22 HD2 PHE 22 -7.428 -2.872 9.826
134 HD2 PHE 22 HD1 PHE 22 -6.382 -2.545 5.713
135 HE1 PHE 22 HE2 PHE 22 -5.118 -2.312 10.461
136 HE2 PHE 22 HE1 PHE 22 -4.070 -1.985 6.342
137 HZ PHE 22 HZ PHE 22 -3.435 -1.868 8.719
138 H SER 23 H SER 23 -10.749 -4.540 8.918
139 HA SER 23 HA SER 23 -12.646 -5.969 7.432
140 HB2 SER 23 1HB SER 23 -12.653 -5.339 9.941
141 HB3 SER 23 2HB SER 23 -13.407 -3.833 9.415
142 HG SER 23 HG SER 23 -14.817 -5.542 8.203
143 H GLN 24 H GLN 24 -12.146 -2.470 7.773
144 HA GLN 24 HA GLN 24 -13.966 -2.063 5.494
145 HB2 GLN 24 1HB GLN 24 -13.206 -0.229 7.767
146 HB3 GLN 24 2HB GLN 24 -14.073 0.320 6.339
147 HG2 GLN 24 1HG GLN 24 -15.892 -1.223 6.840
148 HG3 GLN 24 2HG GLN 24 -15.022 -1.790 8.264
149 HE21 GLN 24 1HE2 GLN 24 -15.655 -0.925 10.094
150 HE22 GLN 24 2HE2 GLN 24 -16.362 0.638 10.298
151 H THR 25 H THR 25 -13.399 -0.063 4.179
152 HA THR 25 HA THR 25 -10.715 -0.378 3.211
153 HB THR 25 HB THR 25 -12.544 0.008 1.636
154 HG1 THR 25 HG1 THR 25 -10.358 0.815 1.209
155 HG21 THR 25 3HG2 THR 25 -13.969 1.431 2.997
156 HG22 THR 25 1HG2 THR 25 -13.590 2.237 1.475
157 HG23 THR 25 2HG2 THR 25 -12.761 2.715 2.957
158 H THR 26 H THR 26 -12.521 2.158 4.893
159 HA THR 26 HA THR 26 -10.649 4.202 4.811
160 HB THR 26 HB THR 26 -12.873 4.605 5.671
161 HG1 THR 26 HG1 THR 26 -10.739 5.588 6.675
162 HG21 THR 26 3HG2 THR 26 -13.497 3.808 7.948
163 HG22 THR 26 1HG2 THR 26 -12.056 2.791 7.942
164 HG23 THR 26 2HG2 THR 26 -13.339 2.510 6.765
165 H HIS 27 H HIS 27 -10.766 1.346 6.836
166 HA HIS 27 HA HIS 27 -8.876 2.125 8.768
167 HB2 HIS 27 1HB HIS 27 -9.524 -0.646 7.740
168 HB3 HIS 27 2HB HIS 27 -8.630 -0.291 9.216
169 HD1 HIS 27 HD1 HIS 27 -11.277 -1.903 9.244
170 HD2 HIS 27 HD2 HIS 27 -10.994 2.188 9.911
171 HE1 HIS 27 HE1 HIS 27 -13.327 -1.294 10.568
172 H LEU 28 H LEU 28 -8.507 0.415 5.683
173 HA LEU 28 HA LEU 28 -5.739 -0.045 5.884
174 HB2 LEU 28 1HB LEU 28 -7.029 -1.265 4.291
175 HB3 LEU 28 2HB LEU 28 -7.564 0.219 3.505
176 HG LEU 28 HG LEU 28 -5.228 0.603 2.755
177 HD11 LEU 28 1HD1 LEU 28 -4.772 -2.164 3.864
178 HD12 LEU 28 2HD1 LEU 28 -4.076 -0.667 4.484
179 HD13 LEU 28 3HD1 LEU 28 -3.634 -1.246 2.878
180 HD21 LEU 28 3HD2 LEU 28 -6.706 -1.883 1.954
181 HD22 LEU 28 1HD2 LEU 28 -5.221 -1.385 1.143
182 HD23 LEU 28 2HD2 LEU 28 -6.631 -0.325 1.131
183 H ILE 29 H ILE 29 -7.587 2.618 4.455
184 HA ILE 29 HA ILE 29 -5.555 4.043 3.250
185 HB ILE 29 HB ILE 29 -7.927 5.170 4.741
186 HG12 ILE 29 1HG1 ILE 29 -7.644 4.713 1.773
187 HG13 ILE 29 2HG1 ILE 29 -8.337 3.506 2.850
188 HG21 ILE 29 1HG2 ILE 29 -6.112 6.430 2.690
189 HG22 ILE 29 2HG2 ILE 29 -7.618 7.136 3.275
190 HG23 ILE 29 3HG2 ILE 29 -6.271 6.888 4.386
191 HD11 ILE 29 3HD1 ILE 29 -10.300 4.511 2.766
192 HD12 ILE 29 1HD1 ILE 29 -9.591 6.029 3.316
193 HD13 ILE 29 2HD1 ILE 29 -9.633 5.647 1.594
194 H GLN 30 H GLN 30 -6.679 4.312 6.617
195 HA GLN 30 HA GLN 30 -4.816 6.267 7.406
196 HB2 GLN 30 1HB GLN 30 -6.510 4.276 8.868
197 HB3 GLN 30 2HB GLN 30 -5.294 5.193 9.747
198 HG2 GLN 30 1HG GLN 30 -6.388 7.187 9.459
199 HG3 GLN 30 2HG GLN 30 -7.219 6.645 8.002
200 HE21 GLN 30 1HE2 GLN 30 -8.984 7.737 9.288
201 HE22 GLN 30 2HE2 GLN 30 -9.910 6.728 10.341
202 H HIS 31 H HIS 31 -4.702 2.736 7.467
203 HA HIS 31 HA HIS 31 -2.346 2.408 8.926
204 HB2 HIS 31 1HB HIS 31 -3.486 0.421 8.581
205 HB3 HIS 31 2HB HIS 31 -3.780 0.764 6.879
206 HD1 HIS 31 HD1 HIS 31 -0.918 -0.228 9.163
207 HD2 HIS 31 HD2 HIS 31 -2.049 -0.459 5.172
208 HE1 HIS 31 HE1 HIS 31 0.827 -1.658 8.051
209 H GLN 32 H GLN 32 -2.819 2.807 5.431
210 HA GLN 32 HA GLN 32 -0.331 2.416 4.434
211 HB2 GLN 32 1HB GLN 32 -2.342 4.554 3.759
212 HB3 GLN 32 2HB GLN 32 -0.851 4.356 2.847
213 HG2 GLN 32 1HG GLN 32 -2.570 1.971 3.248
214 HG3 GLN 32 2HG GLN 32 -3.104 3.206 2.109
215 HE21 GLN 32 1HE2 GLN 32 -2.367 0.521 1.495
216 HE22 GLN 32 2HE2 GLN 32 -1.003 0.591 0.438
217 H ARG 33 H ARG 33 -1.282 4.887 6.637
218 HA ARG 33 HA ARG 33 0.578 6.880 6.210
219 HB2 ARG 33 1HB ARG 33 -0.701 5.818 8.713
220 HB3 ARG 33 2HB ARG 33 0.468 7.129 8.787
221 HG2 ARG 33 1HG ARG 33 -0.938 8.461 7.287
222 HG3 ARG 33 2HG ARG 33 -2.116 7.148 7.243
223 HD2 ARG 33 1HD ARG 33 -2.515 7.369 9.612
224 HD3 ARG 33 2HD ARG 33 -1.238 8.577 9.748
225 HE ARG 33 HE ARG 33 -3.340 9.281 7.909
226 HH11 ARG 33 1HH1 ARG 33 -2.248 9.384 11.213
227 HH12 ARG 33 2HH1 ARG 33 -3.223 10.754 11.630
228 HH21 ARG 33 1HH2 ARG 33 -4.629 11.085 8.445
229 HH22 ARG 33 2HH2 ARG 33 -4.578 11.720 10.055
230 H VAL 34 H VAL 34 0.973 3.822 7.937
231 HA VAL 34 HA VAL 34 3.502 4.249 9.026
232 HB VAL 34 HB VAL 34 3.727 1.863 9.199
233 HG11 VAL 34 1HG1 VAL 34 2.212 2.643 10.797
234 HG12 VAL 34 2HG1 VAL 34 0.949 2.925 9.597
235 HG13 VAL 34 3HG1 VAL 34 1.381 1.277 10.055
236 HG21 VAL 34 3HG2 VAL 34 2.151 0.332 8.065
237 HG22 VAL 34 1HG2 VAL 34 1.492 1.708 7.179
238 HG23 VAL 34 2HG2 VAL 34 3.170 1.222 6.935
239 H HIS 35 H HIS 35 2.575 3.924 5.766
240 HA HIS 35 HA HIS 35 5.353 3.364 4.962
241 HB2 HIS 35 1HB HIS 35 2.917 3.131 3.196
242 HB3 HIS 35 2HB HIS 35 4.532 2.493 2.900
243 HD1 HIS 35 HD1 HIS 35 5.244 0.693 4.980
244 HD2 HIS 35 HD2 HIS 35 1.238 1.187 3.996
245 HE1 HIS 35 HE1 HIS 35 4.080 -1.358 5.852
246 H THR 36 H THR 36 2.637 5.542 4.612
247 HA THR 36 HA THR 36 3.224 7.116 2.502
248 HB THR 36 HB THR 36 2.410 9.085 3.827
249 HG1 THR 36 HG1 THR 36 3.181 8.549 5.876
250 HG21 THR 36 3HG2 THR 36 0.161 8.171 4.218
251 HG22 THR 36 1HG2 THR 36 0.808 6.536 4.083
252 HG23 THR 36 2HG2 THR 36 0.834 7.613 2.687
253 H GLY 37 H GLY 37 4.728 7.458 5.716
254 HA2 GLY 37 1HA GLY 37 6.760 8.330 6.337
255 HA3 GLY 37 2HA GLY 37 7.266 8.121 4.667
256 H GLU 38 H GLU 38 6.281 10.336 7.076
257 HA GLU 38 HA GLU 38 5.600 12.506 5.349
258 HB2 GLU 38 1HB GLU 38 4.843 12.301 7.721
259 HB3 GLU 38 2HB GLU 38 6.494 12.619 8.233
260 HG2 GLU 38 1HG GLU 38 5.515 14.690 8.420
261 HG3 GLU 38 2HG GLU 38 6.261 14.774 6.825
262 H LYS 39 H LYS 39 6.815 14.425 4.988
263 HA LYS 39 HA LYS 39 9.686 14.294 5.514
264 HB2 LYS 39 1HB LYS 39 10.222 14.839 3.172
265 HB3 LYS 39 2HB LYS 39 9.444 13.269 3.320
266 HG2 LYS 39 1HG LYS 39 7.270 14.514 2.775
267 HG3 LYS 39 2HG LYS 39 8.322 15.826 2.239
268 HD2 LYS 39 1HD LYS 39 9.480 14.158 0.759
269 HD3 LYS 39 2HD LYS 39 8.210 13.006 1.180
270 HE2 LYS 39 1HE LYS 39 6.531 14.394 0.199
271 HE3 LYS 39 2HE LYS 39 7.674 15.719 -0.017
272 HZ1 LYS 39 3HZ LYS 39 8.381 14.863 -1.928
273 HZ2 LYS 39 1HZ LYS 39 7.044 13.828 -1.873
274 HZ3 LYS 39 2HZ LYS 39 8.542 13.307 -1.286
275 HA PRO 40 HA PRO 40 9.284 18.606 6.239
276 HB2 PRO 40 1HB PRO 40 11.766 19.477 5.567
277 HB3 PRO 40 2HB PRO 40 11.438 18.549 7.035
278 HG2 PRO 40 1HG PRO 40 12.524 17.615 4.406
279 HG3 PRO 40 2HG PRO 40 13.046 17.190 6.047
280 HD2 PRO 40 1HD PRO 40 11.467 15.573 4.557
281 HD3 PRO 40 2HD PRO 40 11.348 15.657 6.326
282 H SER 41 H SER 41 9.460 17.335 3.188
283 HA SER 41 HA SER 41 10.073 19.461 1.508
284 HB2 SER 41 1HB SER 41 9.572 17.025 0.890
285 HB3 SER 41 2HB SER 41 7.870 17.485 0.919
286 HG SER 41 HG SER 41 9.492 17.737 -1.085
287 H GLY 42 H GLY 42 8.476 20.661 0.110
288 HA2 GLY 42 1HA GLY 42 6.515 21.900 -0.170
289 HA3 GLY 42 2HA GLY 42 5.927 21.273 1.362
290 HA PRO 43 HA PRO 43 8.870 25.038 2.265
291 HB2 PRO 43 1HB PRO 43 9.223 26.727 0.169
292 HB3 PRO 43 2HB PRO 43 10.314 25.379 0.510
293 HG2 PRO 43 1HG PRO 43 8.075 25.549 -1.470
294 HG3 PRO 43 2HG PRO 43 9.696 24.858 -1.670
295 HD2 PRO 43 1HD PRO 43 7.509 23.331 -1.203
296 HD3 PRO 43 2HD PRO 43 9.125 22.890 -0.614
297 H SER 44 H SER 44 6.088 25.134 0.171
298 HA SER 44 HA SER 44 5.043 27.397 1.730
299 HB2 SER 44 1HB SER 44 5.688 28.301 -0.427
300 HB3 SER 44 2HB SER 44 4.815 27.018 -1.265
301 HG SER 44 HG SER 44 2.910 27.890 -0.092
302 H SER 45 H SER 45 3.915 25.859 2.998
303 HA SER 45 HA SER 45 2.257 24.366 3.528
304 HB2 SER 45 1HB SER 45 1.004 26.460 3.261
305 HB3 SER 45 2HB SER 45 0.790 26.123 1.544
306 HG SER 45 HG SER 45 -0.297 24.737 3.756
307 H GLY 46 H GLY 46 3.957 23.288 1.602
308 HA2 GLY 46 1HA GLY 46 4.013 21.391 0.293
309 HA3 GLY 46 2HA GLY 46 2.276 21.248 0.514
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -3.071 -33.452 -6.262
2 HA2 GLY 1 1HA GLY 1 -3.702 -35.638 -4.458
3 HA3 GLY 1 2HA GLY 1 -2.108 -34.930 -4.242
4 H SER 2 H SER 2 -3.001 -34.486 -2.066
5 HA SER 2 HA SER 2 -4.977 -32.365 -1.906
6 HB2 SER 2 1HB SER 2 -3.425 -33.812 0.254
7 HB3 SER 2 2HB SER 2 -4.693 -32.622 0.550
8 HG SER 2 HG SER 2 -5.800 -34.464 0.583
9 H SER 3 H SER 3 -4.037 -30.538 -2.746
10 HA SER 3 HA SER 3 -1.444 -29.667 -1.763
11 HB2 SER 3 1HB SER 3 -2.041 -29.412 -4.165
12 HB3 SER 3 2HB SER 3 -3.320 -28.291 -3.701
13 HG SER 3 HG SER 3 -0.523 -27.971 -3.472
14 H GLY 4 H GLY 4 -4.670 -28.153 -2.032
15 HA2 GLY 4 1HA GLY 4 -5.129 -27.426 0.538
16 HA3 GLY 4 2HA GLY 4 -3.994 -26.203 -0.013
17 H SER 5 H SER 5 -7.196 -26.903 0.348
18 HA SER 5 HA SER 5 -7.970 -25.020 -1.784
19 HB2 SER 5 1HB SER 5 -10.147 -26.107 -1.859
20 HB3 SER 5 2HB SER 5 -8.881 -27.313 -2.091
21 HG SER 5 HG SER 5 -10.658 -26.978 0.009
22 H SER 6 H SER 6 -8.174 -23.082 -0.855
23 HA SER 6 HA SER 6 -9.130 -22.805 1.861
24 HB2 SER 6 1HB SER 6 -8.123 -20.878 -0.221
25 HB3 SER 6 2HB SER 6 -8.890 -20.299 1.258
26 HG SER 6 HG SER 6 -6.405 -21.398 0.879
27 H GLY 7 H GLY 7 -10.935 -21.439 2.444
28 HA2 GLY 7 1HA GLY 7 -12.986 -21.220 0.335
29 HA3 GLY 7 2HA GLY 7 -13.369 -21.952 1.886
30 H THR 8 H THR 8 -12.432 -20.394 3.762
31 HA THR 8 HA THR 8 -14.165 -18.325 4.070
32 HB THR 8 HB THR 8 -11.326 -18.337 5.113
33 HG1 THR 8 HG1 THR 8 -13.713 -19.594 5.973
34 HG21 THR 8 3HG2 THR 8 -13.798 -16.809 5.877
35 HG22 THR 8 1HG2 THR 8 -12.181 -16.193 5.538
36 HG23 THR 8 2HG2 THR 8 -12.490 -17.085 7.028
37 H GLY 9 H GLY 9 -10.823 -17.994 2.860
38 HA2 GLY 9 1HA GLY 9 -10.102 -16.569 1.148
39 HA3 GLY 9 2HA GLY 9 -11.674 -15.784 1.169
40 H GLU 10 H GLU 10 -11.319 -13.691 1.530
41 HA GLU 10 HA GLU 10 -10.331 -12.805 4.041
42 HB2 GLU 10 1HB GLU 10 -8.344 -11.637 3.349
43 HB3 GLU 10 2HB GLU 10 -8.183 -13.328 2.898
44 HG2 GLU 10 1HG GLU 10 -8.958 -12.671 0.595
45 HG3 GLU 10 2HG GLU 10 -8.781 -10.993 1.108
46 H LYS 11 H LYS 11 -10.019 -10.298 3.950
47 HA LYS 11 HA LYS 11 -12.447 -9.234 2.856
48 HB2 LYS 11 1HB LYS 11 -10.159 -7.939 4.346
49 HB3 LYS 11 2HB LYS 11 -11.615 -7.082 3.856
50 HG2 LYS 11 1HG LYS 11 -11.660 -9.523 5.609
51 HG3 LYS 11 2HG LYS 11 -11.558 -7.876 6.237
52 HD2 LYS 11 1HD LYS 11 -13.681 -7.310 5.358
53 HD3 LYS 11 2HD LYS 11 -13.738 -8.767 4.363
54 HE2 LYS 11 1HE LYS 11 -15.085 -9.431 6.079
55 HE3 LYS 11 2HE LYS 11 -13.526 -9.948 6.719
56 HZ1 LYS 11 3HZ LYS 11 -14.423 -7.233 7.334
57 HZ2 LYS 11 1HZ LYS 11 -13.511 -8.307 8.270
58 HZ3 LYS 11 2HZ LYS 11 -15.184 -8.512 8.138
59 HA PRO 12 HA PRO 12 -10.988 -7.643 -0.970
60 HB2 PRO 12 1HB PRO 12 -12.578 -5.459 -1.240
61 HB3 PRO 12 2HB PRO 12 -13.175 -7.112 -1.434
62 HG2 PRO 12 1HG PRO 12 -13.373 -5.292 0.935
63 HG3 PRO 12 2HG PRO 12 -14.606 -6.357 0.236
64 HD2 PRO 12 1HD PRO 12 -13.181 -7.028 2.438
65 HD3 PRO 12 2HD PRO 12 -13.750 -8.233 1.265
66 H TYR 13 H TYR 13 -10.494 -6.058 1.949
67 HA TYR 13 HA TYR 13 -8.877 -3.964 0.651
68 HB2 TYR 13 1HB TYR 13 -9.907 -3.884 3.486
69 HB3 TYR 13 2HB TYR 13 -9.212 -2.564 2.553
70 HD1 TYR 13 HD2 TYR 13 -10.534 -2.050 0.288
71 HD2 TYR 13 HD1 TYR 13 -12.200 -3.937 3.719
72 HE1 TYR 13 HE2 TYR 13 -12.784 -1.374 -0.440
73 HE2 TYR 13 HE1 TYR 13 -14.454 -3.268 2.999
74 HH TYR 13 HH TYR 13 -15.653 -2.141 1.507
75 H GLU 14 H GLU 14 -6.792 -4.457 0.656
76 HA GLU 14 HA GLU 14 -5.580 -5.461 3.122
77 HB2 GLU 14 1HB GLU 14 -6.132 -7.292 1.303
78 HB3 GLU 14 2HB GLU 14 -4.677 -6.666 0.541
79 HG2 GLU 14 1HG GLU 14 -3.611 -7.014 2.879
80 HG3 GLU 14 2HG GLU 14 -4.984 -8.086 3.147
81 H CYS 15 H CYS 15 -3.356 -4.992 3.339
82 HA CYS 15 HA CYS 15 -2.535 -2.649 1.831
83 HB2 CYS 15 1HB CYS 15 -2.364 -2.981 4.399
84 HB3 CYS 15 2HB CYS 15 -0.930 -3.933 4.025
85 H LYS 16 H LYS 16 -1.994 -3.495 -0.186
86 HA LYS 16 HA LYS 16 -0.412 -5.716 -0.708
87 HB2 LYS 16 1HB LYS 16 -1.642 -4.580 -2.464
88 HB3 LYS 16 2HB LYS 16 -0.660 -3.136 -2.263
89 HG2 LYS 16 1HG LYS 16 1.233 -4.159 -3.197
90 HG3 LYS 16 2HG LYS 16 0.538 -5.774 -3.042
91 HD2 LYS 16 1HD LYS 16 0.408 -5.146 -5.342
92 HD3 LYS 16 2HD LYS 16 -1.226 -5.080 -4.678
93 HE2 LYS 16 1HE LYS 16 0.468 -2.620 -4.691
94 HE3 LYS 16 2HE LYS 16 -0.325 -3.136 -6.178
95 HZ1 LYS 16 3HZ LYS 16 -2.017 -3.086 -3.827
96 HZ2 LYS 16 1HZ LYS 16 -2.336 -2.562 -5.404
97 HZ3 LYS 16 2HZ LYS 16 -1.468 -1.572 -4.343
98 H GLU 17 H GLU 17 0.466 -2.755 0.711
99 HA GLU 17 HA GLU 17 3.193 -2.668 -0.122
100 HB2 GLU 17 1HB GLU 17 1.878 -1.417 2.297
101 HB3 GLU 17 2HB GLU 17 3.468 -1.010 1.669
102 HG2 GLU 17 1HG GLU 17 1.108 -0.786 -0.129
103 HG3 GLU 17 2HG GLU 17 1.378 0.452 1.097
104 H CYS 18 H CYS 18 1.623 -3.656 2.921
105 HA CYS 18 HA CYS 18 4.066 -5.158 3.593
106 HB2 CYS 18 1HB CYS 18 3.354 -5.001 5.939
107 HB3 CYS 18 2HB CYS 18 3.527 -3.405 5.215
108 H GLY 19 H GLY 19 0.521 -5.280 3.666
109 HA2 GLY 19 1HA GLY 19 -0.502 -7.341 2.797
110 HA3 GLY 19 2HA GLY 19 0.736 -8.228 3.675
111 H LYS 20 H LYS 20 -1.718 -5.735 4.382
112 HA LYS 20 HA LYS 20 -2.597 -7.389 6.651
113 HB2 LYS 20 1HB LYS 20 -1.154 -5.349 7.267
114 HB3 LYS 20 2HB LYS 20 -2.539 -4.382 6.777
115 HG2 LYS 20 1HG LYS 20 -3.816 -5.053 8.554
116 HG3 LYS 20 2HG LYS 20 -2.953 -6.582 8.736
117 HD2 LYS 20 1HD LYS 20 -0.942 -5.113 9.405
118 HD3 LYS 20 2HD LYS 20 -2.141 -3.838 9.634
119 HE2 LYS 20 1HE LYS 20 -1.819 -4.876 11.746
120 HE3 LYS 20 2HE LYS 20 -3.384 -5.417 11.140
121 HZ1 LYS 20 3HZ LYS 20 -2.487 -7.385 11.814
122 HZ2 LYS 20 1HZ LYS 20 -0.895 -6.928 11.468
123 HZ3 LYS 20 2HZ LYS 20 -1.939 -7.372 10.213
124 H ALA 21 H ALA 21 -4.694 -7.839 6.585
125 HA ALA 21 HA ALA 21 -6.401 -6.360 4.731
126 HB1 ALA 21 3HB ALA 21 -6.969 -8.915 6.229
127 HB2 ALA 21 1HB ALA 21 -7.955 -8.205 4.949
128 HB3 ALA 21 2HB ALA 21 -6.340 -8.814 4.585
129 H PHE 22 H PHE 22 -8.145 -5.177 5.333
130 HA PHE 22 HA PHE 22 -8.766 -5.039 8.208
131 HB2 PHE 22 1HB PHE 22 -8.630 -2.714 6.276
132 HB3 PHE 22 2HB PHE 22 -9.129 -2.614 7.961
133 HD1 PHE 22 HD1 PHE 22 -6.293 -3.175 5.696
134 HD2 PHE 22 HD2 PHE 22 -7.530 -2.621 9.731
135 HE1 PHE 22 HE1 PHE 22 -3.951 -2.820 6.362
136 HE2 PHE 22 HE2 PHE 22 -5.191 -2.264 10.403
137 HZ PHE 22 HZ PHE 22 -3.398 -2.363 8.718
138 H SER 23 H SER 23 -10.904 -4.811 8.770
139 HA SER 23 HA SER 23 -12.853 -5.914 7.158
140 HB2 SER 23 1HB SER 23 -13.024 -5.619 9.628
141 HB3 SER 23 2HB SER 23 -13.331 -3.902 9.369
142 HG SER 23 HG SER 23 -15.268 -4.360 8.504
143 H GLN 24 H GLN 24 -12.168 -2.475 7.717
144 HA GLN 24 HA GLN 24 -13.889 -1.838 5.413
145 HB2 GLN 24 1HB GLN 24 -13.288 -0.367 7.948
146 HB3 GLN 24 2HB GLN 24 -13.712 0.545 6.505
147 HG2 GLN 24 1HG GLN 24 -15.712 -1.183 6.445
148 HG3 GLN 24 2HG GLN 24 -15.372 -1.257 8.173
149 HE21 GLN 24 1HE2 GLN 24 -14.477 1.479 8.347
150 HE22 GLN 24 2HE2 GLN 24 -15.886 2.471 8.226
151 H THR 25 H THR 25 -13.192 -0.009 4.076
152 HA THR 25 HA THR 25 -10.485 -0.306 3.267
153 HB THR 25 HB THR 25 -12.238 0.243 1.650
154 HG1 THR 25 HG1 THR 25 -9.990 1.867 1.999
155 HG21 THR 25 3HG2 THR 25 -13.467 1.773 3.281
156 HG22 THR 25 1HG2 THR 25 -13.388 2.301 1.601
157 HG23 THR 25 2HG2 THR 25 -12.317 3.021 2.803
158 H THR 26 H THR 26 -12.230 2.146 5.105
159 HA THR 26 HA THR 26 -10.264 4.129 5.173
160 HB THR 26 HB THR 26 -11.345 4.731 7.431
161 HG1 THR 26 HG1 THR 26 -12.197 2.434 7.544
162 HG21 THR 26 3HG2 THR 26 -13.657 4.980 5.953
163 HG22 THR 26 1HG2 THR 26 -12.407 4.846 4.717
164 HG23 THR 26 2HG2 THR 26 -12.302 6.108 5.944
165 H HIS 27 H HIS 27 -10.638 1.197 7.062
166 HA HIS 27 HA HIS 27 -8.687 1.833 9.031
167 HB2 HIS 27 1HB HIS 27 -10.148 -0.629 8.191
168 HB3 HIS 27 2HB HIS 27 -8.706 -0.817 9.184
169 HD1 HIS 27 HD1 HIS 27 -8.852 -0.091 11.635
170 HD2 HIS 27 HD2 HIS 27 -12.337 0.600 9.481
171 HE1 HIS 27 HE1 HIS 27 -10.603 0.470 13.351
172 H LEU 28 H LEU 28 -8.516 0.711 5.788
173 HA LEU 28 HA LEU 28 -5.829 -0.354 6.070
174 HB2 LEU 28 1HB LEU 28 -7.145 -1.560 4.551
175 HB3 LEU 28 2HB LEU 28 -7.757 -0.094 3.787
176 HG LEU 28 HG LEU 28 -5.653 0.275 2.683
177 HD11 LEU 28 1HD1 LEU 28 -4.585 -2.253 3.901
178 HD12 LEU 28 2HD1 LEU 28 -4.309 -0.670 4.627
179 HD13 LEU 28 3HD1 LEU 28 -3.717 -1.009 3.000
180 HD21 LEU 28 3HD2 LEU 28 -6.122 -1.185 1.060
181 HD22 LEU 28 1HD2 LEU 28 -7.376 -1.799 2.138
182 HD23 LEU 28 2HD2 LEU 28 -5.792 -2.574 2.097
183 H ILE 29 H ILE 29 -7.442 2.397 4.522
184 HA ILE 29 HA ILE 29 -5.159 3.531 3.343
185 HB ILE 29 HB ILE 29 -7.629 4.959 4.334
186 HG12 ILE 29 1HG1 ILE 29 -7.104 4.121 1.497
187 HG13 ILE 29 2HG1 ILE 29 -7.836 2.999 2.639
188 HG21 ILE 29 1HG2 ILE 29 -7.045 6.727 2.830
189 HG22 ILE 29 2HG2 ILE 29 -5.653 6.400 3.860
190 HG23 ILE 29 3HG2 ILE 29 -5.679 5.807 2.200
191 HD11 ILE 29 3HD1 ILE 29 -9.442 5.069 3.045
192 HD12 ILE 29 1HD1 ILE 29 -8.946 5.440 1.394
193 HD13 ILE 29 2HD1 ILE 29 -9.716 3.896 1.758
194 H GLN 30 H GLN 30 -6.571 3.893 6.553
195 HA GLN 30 HA GLN 30 -5.037 6.056 7.446
196 HB2 GLN 30 1HB GLN 30 -5.588 5.294 9.708
197 HB3 GLN 30 2HB GLN 30 -6.996 5.236 8.657
198 HG2 GLN 30 1HG GLN 30 -6.602 2.807 8.350
199 HG3 GLN 30 2HG GLN 30 -5.298 2.913 9.532
200 HE21 GLN 30 1HE2 GLN 30 -6.249 1.566 11.012
201 HE22 GLN 30 2HE2 GLN 30 -7.665 1.992 11.904
202 H HIS 31 H HIS 31 -4.468 2.563 7.859
203 HA HIS 31 HA HIS 31 -2.014 2.784 9.191
204 HB2 HIS 31 1HB HIS 31 -2.928 0.660 9.326
205 HB3 HIS 31 2HB HIS 31 -3.359 0.623 7.619
206 HD1 HIS 31 HD1 HIS 31 -0.580 -0.128 9.976
207 HD2 HIS 31 HD2 HIS 31 -1.285 -0.180 5.882
208 HE1 HIS 31 HE1 HIS 31 1.334 -1.420 8.980
209 H GLN 32 H GLN 32 -2.790 2.642 5.752
210 HA GLN 32 HA GLN 32 -0.326 2.252 4.624
211 HB2 GLN 32 1HB GLN 32 -2.669 3.927 3.783
212 HB3 GLN 32 2HB GLN 32 -1.202 3.906 2.814
213 HG2 GLN 32 1HG GLN 32 -1.405 1.572 2.412
214 HG3 GLN 32 2HG GLN 32 -2.710 1.425 3.588
215 HE21 GLN 32 1HE2 GLN 32 -3.345 0.380 1.326
216 HE22 GLN 32 2HE2 GLN 32 -4.360 1.394 0.364
217 H ARG 33 H ARG 33 -1.365 4.927 6.498
218 HA ARG 33 HA ARG 33 0.256 6.982 5.539
219 HB2 ARG 33 1HB ARG 33 -0.915 6.349 8.224
220 HB3 ARG 33 2HB ARG 33 0.202 7.697 8.056
221 HG2 ARG 33 1HG ARG 33 -1.256 8.711 6.387
222 HG3 ARG 33 2HG ARG 33 -2.370 7.350 6.529
223 HD2 ARG 33 1HD ARG 33 -3.344 8.927 7.911
224 HD3 ARG 33 2HD ARG 33 -2.400 7.966 9.048
225 HE ARG 33 HE ARG 33 -0.780 10.056 8.205
226 HH11 ARG 33 1HH1 ARG 33 -3.765 9.626 9.945
227 HH12 ARG 33 2HH1 ARG 33 -3.566 11.057 10.900
228 HH21 ARG 33 1HH2 ARG 33 -0.507 11.943 9.457
229 HH22 ARG 33 2HH2 ARG 33 -1.713 12.375 10.621
230 H VAL 34 H VAL 34 0.982 4.329 7.739
231 HA VAL 34 HA VAL 34 3.530 5.235 8.559
232 HB VAL 34 HB VAL 34 3.937 2.956 9.310
233 HG11 VAL 34 1HG1 VAL 34 2.709 3.728 11.011
234 HG12 VAL 34 2HG1 VAL 34 1.510 4.448 9.935
235 HG13 VAL 34 3HG1 VAL 34 1.408 2.737 10.352
236 HG21 VAL 34 3HG2 VAL 34 3.043 1.162 8.341
237 HG22 VAL 34 1HG2 VAL 34 1.408 1.778 8.582
238 HG23 VAL 34 2HG2 VAL 34 2.322 2.243 7.148
239 H HIS 35 H HIS 35 2.433 4.075 5.584
240 HA HIS 35 HA HIS 35 5.045 3.052 4.771
241 HB2 HIS 35 1HB HIS 35 2.327 3.061 3.472
242 HB3 HIS 35 2HB HIS 35 3.780 2.631 2.575
243 HD1 HIS 35 HD1 HIS 35 5.257 0.777 4.327
244 HD2 HIS 35 HD2 HIS 35 1.106 0.757 4.149
245 HE1 HIS 35 HE1 HIS 35 4.560 -1.504 5.124
246 H THR 36 H THR 36 3.031 5.847 4.463
247 HA THR 36 HA THR 36 5.034 7.057 2.672
248 HB THR 36 HB THR 36 2.949 6.695 1.435
249 HG1 THR 36 HG1 THR 36 3.830 8.501 0.664
250 HG21 THR 36 3HG2 THR 36 1.732 7.408 3.866
251 HG22 THR 36 1HG2 THR 36 0.938 6.991 2.348
252 HG23 THR 36 2HG2 THR 36 1.309 8.676 2.716
253 H GLY 37 H GLY 37 6.116 7.856 4.552
254 HA2 GLY 37 1HA GLY 37 5.154 10.439 5.363
255 HA3 GLY 37 2HA GLY 37 5.109 9.261 6.667
256 H GLU 38 H GLU 38 7.067 8.386 7.456
257 HA GLU 38 HA GLU 38 9.420 10.031 6.794
258 HB2 GLU 38 1HB GLU 38 8.371 8.935 9.359
259 HB3 GLU 38 2HB GLU 38 10.114 9.066 9.173
260 HG2 GLU 38 1HG GLU 38 9.829 11.463 8.624
261 HG3 GLU 38 2HG GLU 38 8.108 11.297 8.964
262 H LYS 39 H LYS 39 9.558 8.338 5.013
263 HA LYS 39 HA LYS 39 11.424 6.281 5.899
264 HB2 LYS 39 1HB LYS 39 9.684 4.800 5.843
265 HB3 LYS 39 2HB LYS 39 8.758 5.763 4.700
266 HG2 LYS 39 1HG LYS 39 9.979 4.940 2.861
267 HG3 LYS 39 2HG LYS 39 11.226 4.250 3.903
268 HD2 LYS 39 1HD LYS 39 8.358 3.344 3.988
269 HD3 LYS 39 2HD LYS 39 9.551 2.623 2.905
270 HE2 LYS 39 1HE LYS 39 10.972 2.270 5.000
271 HE3 LYS 39 2HE LYS 39 9.504 2.628 5.909
272 HZ1 LYS 39 3HZ LYS 39 9.931 0.220 5.483
273 HZ2 LYS 39 1HZ LYS 39 9.656 0.510 3.840
274 HZ3 LYS 39 2HZ LYS 39 8.418 0.768 4.963
275 HA PRO 40 HA PRO 40 13.553 7.702 2.306
276 HB2 PRO 40 1HB PRO 40 15.351 5.678 2.096
277 HB3 PRO 40 2HB PRO 40 15.463 6.939 3.330
278 HG2 PRO 40 1HG PRO 40 14.386 4.155 3.558
279 HG3 PRO 40 2HG PRO 40 15.425 5.048 4.684
280 HD2 PRO 40 1HD PRO 40 12.758 4.778 5.065
281 HD3 PRO 40 2HD PRO 40 13.655 6.218 5.586
282 H SER 41 H SER 41 12.005 7.522 0.678
283 HA SER 41 HA SER 41 12.091 4.997 -0.835
284 HB2 SER 41 1HB SER 41 9.915 5.138 0.238
285 HB3 SER 41 2HB SER 41 9.684 6.775 -0.374
286 HG SER 41 HG SER 41 9.534 4.329 -1.711
287 H GLY 42 H GLY 42 13.897 6.887 -1.438
288 HA2 GLY 42 1HA GLY 42 14.689 7.759 -3.454
289 HA3 GLY 42 2HA GLY 42 13.056 7.688 -4.100
290 HA PRO 43 HA PRO 43 14.350 12.063 -2.715
291 HB2 PRO 43 1HB PRO 43 14.860 13.128 -5.159
292 HB3 PRO 43 2HB PRO 43 16.105 12.360 -4.167
293 HG2 PRO 43 1HG PRO 43 14.560 11.236 -6.472
294 HG3 PRO 43 2HG PRO 43 16.288 11.087 -6.104
295 HD2 PRO 43 1HD PRO 43 14.508 9.120 -5.563
296 HD3 PRO 43 2HD PRO 43 15.943 9.411 -4.559
297 H SER 44 H SER 44 13.389 14.159 -3.825
298 HA SER 44 HA SER 44 11.391 15.273 -4.031
299 HB2 SER 44 1HB SER 44 10.422 15.044 -6.202
300 HB3 SER 44 2HB SER 44 12.143 14.707 -6.387
301 HG SER 44 HG SER 44 11.237 12.397 -5.929
302 H SER 45 H SER 45 11.112 13.388 -2.078
303 HA SER 45 HA SER 45 9.234 11.428 -2.223
304 HB2 SER 45 1HB SER 45 10.509 12.258 -0.167
305 HB3 SER 45 2HB SER 45 9.212 13.436 0.031
306 HG SER 45 HG SER 45 8.801 10.635 -0.142
307 H GLY 46 H GLY 46 8.560 14.895 -1.774
308 HA2 GLY 46 1HA GLY 46 6.743 16.080 -2.649
309 HA3 GLY 46 2HA GLY 46 6.008 14.556 -3.125
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -1.851 -19.861 -5.642
2 HA2 GLY 1 1HA GLY 1 -0.561 -21.765 -5.562
3 HA3 GLY 1 2HA GLY 1 -1.573 -22.172 -4.184
4 H SER 2 H SER 2 -3.782 -23.095 -4.827
5 HA SER 2 HA SER 2 -3.320 -25.097 -6.933
6 HB2 SER 2 1HB SER 2 -3.648 -25.901 -4.564
7 HB3 SER 2 2HB SER 2 -5.295 -25.277 -4.649
8 HG SER 2 HG SER 2 -4.187 -27.523 -5.811
9 H SER 3 H SER 3 -5.079 -25.715 -8.291
10 HA SER 3 HA SER 3 -6.729 -23.469 -9.043
11 HB2 SER 3 1HB SER 3 -5.574 -24.974 -10.701
12 HB3 SER 3 2HB SER 3 -6.711 -26.244 -10.247
13 HG SER 3 HG SER 3 -7.085 -24.451 -12.068
14 H GLY 4 H GLY 4 -8.552 -23.085 -7.968
15 HA2 GLY 4 1HA GLY 4 -10.813 -23.550 -7.495
16 HA3 GLY 4 2HA GLY 4 -10.470 -25.266 -7.653
17 H SER 5 H SER 5 -8.752 -22.897 -5.669
18 HA SER 5 HA SER 5 -8.726 -24.579 -3.403
19 HB2 SER 5 1HB SER 5 -7.710 -22.727 -2.237
20 HB3 SER 5 2HB SER 5 -7.068 -22.757 -3.879
21 HG SER 5 HG SER 5 -8.599 -20.859 -2.625
22 H SER 6 H SER 6 -9.924 -24.583 -1.536
23 HA SER 6 HA SER 6 -12.226 -22.768 -1.385
24 HB2 SER 6 1HB SER 6 -13.643 -24.709 -0.661
25 HB3 SER 6 2HB SER 6 -13.131 -24.786 -2.347
26 HG SER 6 HG SER 6 -11.321 -26.113 -1.443
27 H GLY 7 H GLY 7 -12.892 -22.230 0.678
28 HA2 GLY 7 1HA GLY 7 -12.858 -22.934 3.083
29 HA3 GLY 7 2HA GLY 7 -11.138 -23.204 2.848
30 H THR 8 H THR 8 -10.488 -21.747 4.411
31 HA THR 8 HA THR 8 -11.312 -19.295 5.088
32 HB THR 8 HB THR 8 -8.965 -18.620 5.495
33 HG1 THR 8 HG1 THR 8 -8.430 -20.972 3.983
34 HG21 THR 8 3HG2 THR 8 -9.849 -21.392 6.246
35 HG22 THR 8 1HG2 THR 8 -9.872 -19.924 7.223
36 HG23 THR 8 2HG2 THR 8 -8.338 -20.710 6.847
37 H GLY 9 H GLY 9 -11.973 -17.604 3.941
38 HA2 GLY 9 1HA GLY 9 -11.051 -17.177 1.236
39 HA3 GLY 9 2HA GLY 9 -12.254 -16.225 2.094
40 H GLU 10 H GLU 10 -11.298 -14.305 1.292
41 HA GLU 10 HA GLU 10 -9.124 -13.359 2.962
42 HB2 GLU 10 1HB GLU 10 -8.293 -14.396 0.670
43 HB3 GLU 10 2HB GLU 10 -8.795 -12.832 0.043
44 HG2 GLU 10 1HG GLU 10 -7.147 -11.704 1.131
45 HG3 GLU 10 2HG GLU 10 -7.068 -12.867 2.453
46 H LYS 11 H LYS 11 -9.638 -11.402 3.663
47 HA LYS 11 HA LYS 11 -11.903 -9.999 3.082
48 HB2 LYS 11 1HB LYS 11 -9.234 -9.160 4.146
49 HB3 LYS 11 2HB LYS 11 -10.448 -7.933 3.811
50 HG2 LYS 11 1HG LYS 11 -10.935 -8.344 5.986
51 HG3 LYS 11 2HG LYS 11 -11.966 -9.566 5.236
52 HD2 LYS 11 1HD LYS 11 -10.413 -11.292 5.699
53 HD3 LYS 11 2HD LYS 11 -9.147 -10.138 6.123
54 HE2 LYS 11 1HE LYS 11 -10.495 -9.424 8.063
55 HE3 LYS 11 2HE LYS 11 -11.698 -10.645 7.652
56 HZ1 LYS 11 3HZ LYS 11 -10.320 -11.557 9.321
57 HZ2 LYS 11 1HZ LYS 11 -8.901 -11.088 8.527
58 HZ3 LYS 11 2HZ LYS 11 -9.868 -12.314 7.877
59 HA PRO 12 HA PRO 12 -11.419 -8.254 -0.930
60 HB2 PRO 12 1HB PRO 12 -13.144 -6.169 -0.708
61 HB3 PRO 12 2HB PRO 12 -13.679 -7.847 -0.862
62 HG2 PRO 12 1HG PRO 12 -13.434 -6.155 1.596
63 HG3 PRO 12 2HG PRO 12 -14.734 -7.266 1.127
64 HD2 PRO 12 1HD PRO 12 -12.813 -7.942 2.912
65 HD3 PRO 12 2HD PRO 12 -13.568 -9.127 1.826
66 H TYR 13 H TYR 13 -10.316 -6.813 1.878
67 HA TYR 13 HA TYR 13 -8.965 -4.706 0.334
68 HB2 TYR 13 1HB TYR 13 -9.784 -4.277 3.195
69 HB3 TYR 13 2HB TYR 13 -9.316 -3.080 1.993
70 HD1 TYR 13 HD2 TYR 13 -10.909 -2.839 -0.057
71 HD2 TYR 13 HD1 TYR 13 -12.036 -4.642 3.629
72 HE1 TYR 13 HE2 TYR 13 -13.276 -2.447 -0.596
73 HE2 TYR 13 HE1 TYR 13 -14.406 -4.257 3.099
74 HH TYR 13 HH TYR 13 -15.823 -3.887 1.160
75 H GLU 14 H GLU 14 -6.826 -4.788 0.492
76 HA GLU 14 HA GLU 14 -5.547 -5.672 2.942
77 HB2 GLU 14 1HB GLU 14 -6.037 -7.673 1.317
78 HB3 GLU 14 2HB GLU 14 -4.663 -7.033 0.426
79 HG2 GLU 14 1HG GLU 14 -3.461 -7.117 2.720
80 HG3 GLU 14 2HG GLU 14 -4.751 -8.237 3.154
81 H CYS 15 H CYS 15 -3.445 -4.938 3.170
82 HA CYS 15 HA CYS 15 -2.736 -2.709 1.495
83 HB2 CYS 15 1HB CYS 15 -2.407 -2.583 3.915
84 HB3 CYS 15 2HB CYS 15 -1.299 -3.951 3.851
85 H LYS 16 H LYS 16 -1.734 -2.979 -0.379
86 HA LYS 16 HA LYS 16 -0.160 -5.345 -0.915
87 HB2 LYS 16 1HB LYS 16 -1.719 -4.249 -2.581
88 HB3 LYS 16 2HB LYS 16 -0.545 -2.945 -2.705
89 HG2 LYS 16 1HG LYS 16 1.065 -4.335 -3.686
90 HG3 LYS 16 2HG LYS 16 0.210 -5.804 -3.207
91 HD2 LYS 16 1HD LYS 16 -1.699 -4.873 -4.699
92 HD3 LYS 16 2HD LYS 16 -0.429 -3.868 -5.401
93 HE2 LYS 16 1HE LYS 16 0.875 -5.926 -5.859
94 HE3 LYS 16 2HE LYS 16 -0.483 -6.881 -5.266
95 HZ1 LYS 16 3HZ LYS 16 -1.568 -5.185 -7.125
96 HZ2 LYS 16 1HZ LYS 16 -1.244 -6.832 -7.335
97 HZ3 LYS 16 2HZ LYS 16 -0.106 -5.678 -7.819
98 H GLU 17 H GLU 17 0.897 -3.685 1.136
99 HA GLU 17 HA GLU 17 3.420 -2.857 -0.137
100 HB2 GLU 17 1HB GLU 17 2.362 -1.555 2.358
101 HB3 GLU 17 2HB GLU 17 3.617 -0.980 1.269
102 HG2 GLU 17 1HG GLU 17 0.872 -1.310 0.191
103 HG3 GLU 17 2HG GLU 17 1.192 0.048 1.268
104 H CYS 18 H CYS 18 1.835 -4.101 2.763
105 HA CYS 18 HA CYS 18 4.366 -5.417 3.486
106 HB2 CYS 18 1HB CYS 18 3.902 -5.038 5.850
107 HB3 CYS 18 2HB CYS 18 3.972 -3.502 4.993
108 H GLY 19 H GLY 19 0.840 -5.425 3.677
109 HA2 GLY 19 1HA GLY 19 -0.252 -7.543 3.071
110 HA3 GLY 19 2HA GLY 19 0.967 -8.354 4.043
111 H LYS 20 H LYS 20 -1.673 -5.990 4.275
112 HA LYS 20 HA LYS 20 -2.481 -7.239 6.793
113 HB2 LYS 20 1HB LYS 20 -1.012 -5.121 7.118
114 HB3 LYS 20 2HB LYS 20 -2.442 -4.243 6.589
115 HG2 LYS 20 1HG LYS 20 -3.669 -4.858 8.458
116 HG3 LYS 20 2HG LYS 20 -2.614 -6.227 8.821
117 HD2 LYS 20 1HD LYS 20 -0.795 -4.574 9.318
118 HD3 LYS 20 2HD LYS 20 -2.000 -3.294 9.160
119 HE2 LYS 20 1HE LYS 20 -3.301 -4.832 10.887
120 HE3 LYS 20 2HE LYS 20 -1.662 -5.347 11.282
121 HZ1 LYS 20 3HZ LYS 20 -2.556 -2.517 11.242
122 HZ2 LYS 20 1HZ LYS 20 -1.060 -3.102 11.774
123 HZ3 LYS 20 2HZ LYS 20 -2.466 -3.467 12.639
124 H ALA 21 H ALA 21 -4.617 -7.540 6.906
125 HA ALA 21 HA ALA 21 -6.283 -6.342 4.815
126 HB1 ALA 21 3HB ALA 21 -7.034 -8.579 6.684
127 HB2 ALA 21 1HB ALA 21 -7.829 -8.109 5.181
128 HB3 ALA 21 2HB ALA 21 -6.220 -8.831 5.140
129 H PHE 22 H PHE 22 -8.150 -5.201 5.255
130 HA PHE 22 HA PHE 22 -8.695 -4.567 8.073
131 HB2 PHE 22 1HB PHE 22 -8.559 -2.553 5.818
132 HB3 PHE 22 2HB PHE 22 -9.024 -2.204 7.480
133 HD1 PHE 22 HD1 PHE 22 -6.230 -3.229 5.305
134 HD2 PHE 22 HD2 PHE 22 -7.400 -1.868 9.165
135 HE1 PHE 22 HE1 PHE 22 -3.871 -2.812 5.869
136 HE2 PHE 22 HE2 PHE 22 -5.044 -1.448 9.735
137 HZ PHE 22 HZ PHE 22 -3.276 -1.919 8.086
138 H SER 23 H SER 23 -10.775 -4.721 8.610
139 HA SER 23 HA SER 23 -12.712 -5.736 6.892
140 HB2 SER 23 1HB SER 23 -12.827 -5.878 9.363
141 HB3 SER 23 2HB SER 23 -13.178 -4.151 9.430
142 HG SER 23 HG SER 23 -14.792 -5.714 7.787
143 H GLN 24 H GLN 24 -11.986 -2.406 7.784
144 HA GLN 24 HA GLN 24 -14.022 -1.494 5.863
145 HB2 GLN 24 1HB GLN 24 -12.823 -0.134 8.274
146 HB3 GLN 24 2HB GLN 24 -13.784 0.721 7.075
147 HG2 GLN 24 1HG GLN 24 -15.661 -0.818 7.543
148 HG3 GLN 24 2HG GLN 24 -14.693 -1.555 8.819
149 HE21 GLN 24 1HE2 GLN 24 -16.511 1.224 7.838
150 HE22 GLN 24 2HE2 GLN 24 -16.559 1.997 9.382
151 H THR 25 H THR 25 -13.493 0.115 4.361
152 HA THR 25 HA THR 25 -10.945 -0.066 3.206
153 HB THR 25 HB THR 25 -12.958 2.154 2.797
154 HG1 THR 25 HG1 THR 25 -14.115 0.684 1.825
155 HG21 THR 25 3HG2 THR 25 -10.366 1.800 1.774
156 HG22 THR 25 1HG2 THR 25 -11.589 2.945 1.226
157 HG23 THR 25 2HG2 THR 25 -11.468 1.356 0.471
158 H THR 26 H THR 26 -12.420 2.593 5.063
159 HA THR 26 HA THR 26 -10.318 4.385 5.012
160 HB THR 26 HB THR 26 -12.496 4.972 5.945
161 HG1 THR 26 HG1 THR 26 -10.133 5.346 7.385
162 HG21 THR 26 3HG2 THR 26 -12.898 2.807 7.104
163 HG22 THR 26 1HG2 THR 26 -13.218 4.213 8.118
164 HG23 THR 26 2HG2 THR 26 -11.730 3.290 8.334
165 H HIS 27 H HIS 27 -10.869 1.693 7.251
166 HA HIS 27 HA HIS 27 -8.745 2.170 8.996
167 HB2 HIS 27 1HB HIS 27 -10.365 -0.209 8.243
168 HB3 HIS 27 2HB HIS 27 -8.860 -0.499 9.110
169 HD1 HIS 27 HD1 HIS 27 -11.867 1.807 9.539
170 HD2 HIS 27 HD2 HIS 27 -9.249 -0.518 11.776
171 HE1 HIS 27 HE1 HIS 27 -12.648 2.017 11.920
172 H LEU 28 H LEU 28 -8.795 0.828 5.791
173 HA LEU 28 HA LEU 28 -6.155 -0.303 5.938
174 HB2 LEU 28 1HB LEU 28 -7.600 -1.364 4.427
175 HB3 LEU 28 2HB LEU 28 -8.120 0.165 3.721
176 HG LEU 28 HG LEU 28 -5.953 0.412 2.632
177 HD11 LEU 28 1HD1 LEU 28 -4.296 -1.353 2.697
178 HD12 LEU 28 2HD1 LEU 28 -5.297 -2.283 3.812
179 HD13 LEU 28 3HD1 LEU 28 -4.602 -0.746 4.324
180 HD21 LEU 28 3HD2 LEU 28 -7.066 -0.628 1.006
181 HD22 LEU 28 1HD2 LEU 28 -7.821 -1.752 2.137
182 HD23 LEU 28 2HD2 LEU 28 -6.214 -2.094 1.495
183 H ILE 29 H ILE 29 -7.603 2.678 4.757
184 HA ILE 29 HA ILE 29 -5.292 3.671 3.449
185 HB ILE 29 HB ILE 29 -7.585 5.248 4.624
186 HG12 ILE 29 1HG1 ILE 29 -7.263 4.350 1.762
187 HG13 ILE 29 2HG1 ILE 29 -8.162 3.412 2.949
188 HG21 ILE 29 1HG2 ILE 29 -5.703 6.666 4.143
189 HG22 ILE 29 2HG2 ILE 29 -5.519 5.947 2.544
190 HG23 ILE 29 3HG2 ILE 29 -6.940 6.924 2.914
191 HD11 ILE 29 3HD1 ILE 29 -8.827 6.284 2.482
192 HD12 ILE 29 1HD1 ILE 29 -9.423 5.034 1.391
193 HD13 ILE 29 2HD1 ILE 29 -9.844 4.985 3.103
194 H GLN 30 H GLN 30 -6.592 4.082 6.714
195 HA GLN 30 HA GLN 30 -4.836 6.036 7.637
196 HB2 GLN 30 1HB GLN 30 -5.301 5.059 9.911
197 HB3 GLN 30 2HB GLN 30 -6.728 5.471 8.970
198 HG2 GLN 30 1HG GLN 30 -7.011 3.132 8.356
199 HG3 GLN 30 2HG GLN 30 -5.568 2.711 9.276
200 HE21 GLN 30 1HE2 GLN 30 -7.077 1.251 10.360
201 HE22 GLN 30 2HE2 GLN 30 -8.011 1.854 11.682
202 H HIS 31 H HIS 31 -4.516 2.499 7.717
203 HA HIS 31 HA HIS 31 -2.074 2.371 9.069
204 HB2 HIS 31 1HB HIS 31 -3.064 0.299 8.905
205 HB3 HIS 31 2HB HIS 31 -3.565 0.552 7.235
206 HD1 HIS 31 HD1 HIS 31 -0.481 -0.297 9.253
207 HD2 HIS 31 HD2 HIS 31 -1.891 -0.517 5.351
208 HE1 HIS 31 HE1 HIS 31 1.233 -1.638 7.993
209 H GLN 32 H GLN 32 -2.796 2.796 5.644
210 HA GLN 32 HA GLN 32 -0.318 2.412 4.513
211 HB2 GLN 32 1HB GLN 32 -2.375 4.509 3.804
212 HB3 GLN 32 2HB GLN 32 -1.023 4.045 2.779
213 HG2 GLN 32 1HG GLN 32 -2.892 1.932 3.718
214 HG3 GLN 32 2HG GLN 32 -3.415 3.025 2.437
215 HE21 GLN 32 1HE2 GLN 32 -3.391 0.626 1.586
216 HE22 GLN 32 2HE2 GLN 32 -1.984 0.219 0.671
217 H ARG 33 H ARG 33 -1.343 4.939 6.623
218 HA ARG 33 HA ARG 33 0.422 6.988 5.973
219 HB2 ARG 33 1HB ARG 33 -0.584 6.171 8.705
220 HB3 ARG 33 2HB ARG 33 0.169 7.714 8.323
221 HG2 ARG 33 1HG ARG 33 -2.342 6.735 6.992
222 HG3 ARG 33 2HG ARG 33 -2.336 7.725 8.453
223 HD2 ARG 33 1HD ARG 33 -2.499 9.377 6.894
224 HD3 ARG 33 2HD ARG 33 -0.743 9.239 6.977
225 HE ARG 33 HE ARG 33 -0.733 8.331 4.855
226 HH11 ARG 33 1HH1 ARG 33 -3.997 8.587 6.038
227 HH12 ARG 33 2HH1 ARG 33 -4.720 8.252 4.499
228 HH21 ARG 33 1HH2 ARG 33 -1.672 7.889 2.824
229 HH22 ARG 33 2HH2 ARG 33 -3.397 7.855 2.672
230 H VAL 34 H VAL 34 0.971 3.979 7.638
231 HA VAL 34 HA VAL 34 3.488 4.677 8.782
232 HB VAL 34 HB VAL 34 3.779 2.282 9.179
233 HG11 VAL 34 1HG1 VAL 34 1.780 3.910 10.216
234 HG12 VAL 34 2HG1 VAL 34 0.979 2.370 9.898
235 HG13 VAL 34 3HG1 VAL 34 2.410 2.426 10.928
236 HG21 VAL 34 3HG2 VAL 34 1.384 1.122 8.392
237 HG22 VAL 34 1HG2 VAL 34 1.882 2.085 7.001
238 HG23 VAL 34 2HG2 VAL 34 2.968 0.864 7.663
239 H HIS 35 H HIS 35 2.541 4.162 5.620
240 HA HIS 35 HA HIS 35 5.231 3.280 4.814
241 HB2 HIS 35 1HB HIS 35 2.595 3.134 3.339
242 HB3 HIS 35 2HB HIS 35 4.149 2.711 2.627
243 HD1 HIS 35 HD1 HIS 35 5.384 1.034 4.839
244 HD2 HIS 35 HD2 HIS 35 1.405 0.723 3.684
245 HE1 HIS 35 HE1 HIS 35 4.655 -1.265 5.552
246 H THR 36 H THR 36 3.037 5.897 4.799
247 HA THR 36 HA THR 36 4.030 7.253 2.491
248 HB THR 36 HB THR 36 2.729 9.132 3.186
249 HG1 THR 36 HG1 THR 36 2.150 7.948 5.683
250 HG21 THR 36 3HG2 THR 36 0.558 8.181 3.393
251 HG22 THR 36 1HG2 THR 36 1.196 6.722 4.151
252 HG23 THR 36 2HG2 THR 36 1.517 7.043 2.447
253 H GLY 37 H GLY 37 4.471 7.811 5.991
254 HA2 GLY 37 1HA GLY 37 7.016 8.104 6.419
255 HA3 GLY 37 2HA GLY 37 6.799 9.492 5.362
256 H GLU 38 H GLU 38 5.501 8.048 8.344
257 HA GLU 38 HA GLU 38 4.738 10.712 9.277
258 HB2 GLU 38 1HB GLU 38 3.204 8.674 9.437
259 HB3 GLU 38 2HB GLU 38 4.271 8.105 10.714
260 HG2 GLU 38 1HG GLU 38 3.832 10.249 11.921
261 HG3 GLU 38 2HG GLU 38 2.612 10.611 10.701
262 H LYS 39 H LYS 39 7.318 10.816 9.202
263 HA LYS 39 HA LYS 39 8.219 10.314 11.962
264 HB2 LYS 39 1HB LYS 39 9.908 10.217 9.456
265 HB3 LYS 39 2HB LYS 39 10.496 9.996 11.099
266 HG2 LYS 39 1HG LYS 39 9.443 7.927 11.325
267 HG3 LYS 39 2HG LYS 39 8.373 8.220 9.953
268 HD2 LYS 39 1HD LYS 39 11.333 8.130 9.540
269 HD3 LYS 39 2HD LYS 39 10.421 6.626 9.693
270 HE2 LYS 39 1HE LYS 39 10.292 6.907 7.435
271 HE3 LYS 39 2HE LYS 39 8.864 7.821 7.916
272 HZ1 LYS 39 3HZ LYS 39 9.944 9.833 7.579
273 HZ2 LYS 39 1HZ LYS 39 10.483 8.892 6.280
274 HZ3 LYS 39 2HZ LYS 39 11.488 9.142 7.617
275 HA PRO 40 HA PRO 40 8.990 14.635 12.231
276 HB2 PRO 40 1HB PRO 40 10.924 14.639 14.136
277 HB3 PRO 40 2HB PRO 40 9.225 14.308 14.493
278 HG2 PRO 40 1HG PRO 40 11.490 12.388 14.113
279 HG3 PRO 40 2HG PRO 40 10.200 12.370 15.330
280 HD2 PRO 40 1HD PRO 40 10.141 10.804 13.122
281 HD3 PRO 40 2HD PRO 40 8.668 11.448 13.876
282 H SER 41 H SER 41 11.057 12.511 10.789
283 HA SER 41 HA SER 41 12.588 14.590 9.557
284 HB2 SER 41 1HB SER 41 13.986 12.672 11.433
285 HB3 SER 41 2HB SER 41 14.820 13.668 10.240
286 HG SER 41 HG SER 41 14.098 14.348 12.679
287 H GLY 42 H GLY 42 14.068 13.731 7.887
288 HA2 GLY 42 1HA GLY 42 14.766 11.526 6.838
289 HA3 GLY 42 2HA GLY 42 13.049 11.151 6.876
290 HA PRO 43 HA PRO 43 14.442 13.765 3.071
291 HB2 PRO 43 1HB PRO 43 15.226 11.827 1.339
292 HB3 PRO 43 2HB PRO 43 16.348 12.660 2.421
293 HG2 PRO 43 1HG PRO 43 15.057 9.978 2.732
294 HG3 PRO 43 2HG PRO 43 16.733 10.457 3.056
295 HD2 PRO 43 1HD PRO 43 14.889 10.189 5.021
296 HD3 PRO 43 2HD PRO 43 16.208 11.375 5.104
297 H SER 44 H SER 44 12.402 14.260 2.474
298 HA SER 44 HA SER 44 10.918 12.243 0.951
299 HB2 SER 44 1HB SER 44 9.960 13.731 3.366
300 HB3 SER 44 2HB SER 44 8.811 13.350 2.084
301 HG SER 44 HG SER 44 9.966 11.126 2.387
302 H SER 45 H SER 45 9.103 13.255 -0.307
303 HA SER 45 HA SER 45 10.046 15.247 -1.986
304 HB2 SER 45 1HB SER 45 7.339 14.084 -1.465
305 HB3 SER 45 2HB SER 45 7.466 15.514 -2.490
306 HG SER 45 HG SER 45 8.248 14.314 -4.023
307 H GLY 46 H GLY 46 7.409 15.622 0.396
308 HA2 GLY 46 1HA GLY 46 8.419 18.264 1.091
309 HA3 GLY 46 2HA GLY 46 6.838 18.223 0.324
Start of MODEL 18
1 H1 GLY 1 H GLY 1 8.330 -28.271 2.606
2 HA2 GLY 1 1HA GLY 1 6.907 -26.488 4.281
3 HA3 GLY 1 2HA GLY 1 6.580 -26.784 2.580
4 H SER 2 H SER 2 4.353 -26.760 2.813
5 HA SER 2 HA SER 2 2.265 -27.483 3.419
6 HB2 SER 2 1HB SER 2 3.727 -30.103 3.026
7 HB3 SER 2 2HB SER 2 1.974 -29.956 3.143
8 HG SER 2 HG SER 2 3.351 -29.780 0.978
9 H SER 3 H SER 3 3.698 -26.733 5.658
10 HA SER 3 HA SER 3 3.429 -28.817 7.660
11 HB2 SER 3 1HB SER 3 5.306 -27.067 7.582
12 HB3 SER 3 2HB SER 3 4.108 -25.926 8.192
13 HG SER 3 HG SER 3 5.045 -26.751 9.981
14 H GLY 4 H GLY 4 1.059 -28.956 7.192
15 HA2 GLY 4 1HA GLY 4 -1.108 -28.622 7.868
16 HA3 GLY 4 2HA GLY 4 -0.427 -27.826 9.279
17 H SER 5 H SER 5 -2.209 -27.423 6.445
18 HA SER 5 HA SER 5 -1.628 -24.703 5.877
19 HB2 SER 5 1HB SER 5 -2.777 -26.386 4.342
20 HB3 SER 5 2HB SER 5 -4.240 -26.098 5.283
21 HG SER 5 HG SER 5 -3.804 -23.788 4.772
22 H SER 6 H SER 6 -2.883 -22.845 6.321
23 HA SER 6 HA SER 6 -4.541 -23.079 8.747
24 HB2 SER 6 1HB SER 6 -2.668 -20.869 7.884
25 HB3 SER 6 2HB SER 6 -3.824 -20.699 9.205
26 HG SER 6 HG SER 6 -2.144 -22.921 9.250
27 H GLY 7 H GLY 7 -6.471 -21.985 8.841
28 HA2 GLY 7 1HA GLY 7 -7.314 -20.669 6.331
29 HA3 GLY 7 2HA GLY 7 -8.379 -21.688 7.288
30 H THR 8 H THR 8 -6.888 -18.565 6.996
31 HA THR 8 HA THR 8 -8.226 -17.607 9.416
32 HB THR 8 HB THR 8 -5.863 -16.963 9.062
33 HG1 THR 8 HG1 THR 8 -6.584 -15.345 10.220
34 HG21 THR 8 3HG2 THR 8 -5.104 -15.752 7.259
35 HG22 THR 8 1HG2 THR 8 -6.694 -15.077 6.905
36 HG23 THR 8 2HG2 THR 8 -6.331 -16.750 6.480
37 H GLY 9 H GLY 9 -8.171 -17.117 5.918
38 HA2 GLY 9 1HA GLY 9 -10.140 -16.590 4.689
39 HA3 GLY 9 2HA GLY 9 -10.809 -15.848 6.134
40 H GLU 10 H GLU 10 -9.193 -15.318 3.207
41 HA GLU 10 HA GLU 10 -7.827 -12.919 3.771
42 HB2 GLU 10 1HB GLU 10 -7.757 -12.580 1.381
43 HB3 GLU 10 2HB GLU 10 -7.480 -14.281 1.728
44 HG2 GLU 10 1HG GLU 10 -10.256 -13.403 1.152
45 HG3 GLU 10 2HG GLU 10 -9.111 -13.500 -0.185
46 H LYS 11 H LYS 11 -8.502 -10.824 2.550
47 HA LYS 11 HA LYS 11 -11.370 -10.311 2.923
48 HB2 LYS 11 1HB LYS 11 -9.072 -8.740 4.076
49 HB3 LYS 11 2HB LYS 11 -10.671 -8.039 3.866
50 HG2 LYS 11 1HG LYS 11 -10.162 -10.545 5.447
51 HG3 LYS 11 2HG LYS 11 -10.171 -8.927 6.154
52 HD2 LYS 11 1HD LYS 11 -12.489 -9.887 4.518
53 HD3 LYS 11 2HD LYS 11 -12.339 -10.348 6.215
54 HE2 LYS 11 1HE LYS 11 -12.199 -7.489 5.292
55 HE3 LYS 11 2HE LYS 11 -13.721 -8.278 5.707
56 HZ1 LYS 11 3HZ LYS 11 -11.882 -8.755 7.766
57 HZ2 LYS 11 1HZ LYS 11 -13.319 -7.863 7.828
58 HZ3 LYS 11 2HZ LYS 11 -11.864 -7.097 7.429
59 HA PRO 12 HA PRO 12 -11.191 -8.188 -0.915
60 HB2 PRO 12 1HB PRO 12 -13.036 -6.233 -0.541
61 HB3 PRO 12 2HB PRO 12 -13.468 -7.933 -0.752
62 HG2 PRO 12 1HG PRO 12 -13.242 -6.336 1.769
63 HG3 PRO 12 2HG PRO 12 -14.485 -7.509 1.295
64 HD2 PRO 12 1HD PRO 12 -12.460 -8.133 2.982
65 HD3 PRO 12 2HD PRO 12 -13.177 -9.317 1.870
66 H TYR 13 H TYR 13 -9.989 -6.860 1.873
67 HA TYR 13 HA TYR 13 -8.768 -4.656 0.386
68 HB2 TYR 13 1HB TYR 13 -9.853 -4.242 3.171
69 HB3 TYR 13 2HB TYR 13 -9.216 -3.028 2.068
70 HD1 TYR 13 HD2 TYR 13 -10.523 -2.729 -0.171
71 HD2 TYR 13 HD1 TYR 13 -12.147 -4.573 3.302
72 HE1 TYR 13 HE2 TYR 13 -12.794 -2.290 -1.007
73 HE2 TYR 13 HE1 TYR 13 -14.422 -4.140 2.475
74 HH TYR 13 HH TYR 13 -14.970 -2.398 -0.570
75 H GLU 14 H GLU 14 -6.666 -5.066 0.475
76 HA GLU 14 HA GLU 14 -5.452 -5.646 3.074
77 HB2 GLU 14 1HB GLU 14 -5.866 -7.752 1.597
78 HB3 GLU 14 2HB GLU 14 -4.513 -7.147 0.652
79 HG2 GLU 14 1HG GLU 14 -3.145 -7.143 2.728
80 HG3 GLU 14 2HG GLU 14 -4.493 -7.917 3.559
81 H CYS 15 H CYS 15 -3.624 -4.537 3.430
82 HA CYS 15 HA CYS 15 -2.816 -2.490 1.678
83 HB2 CYS 15 1HB CYS 15 -2.452 -2.252 4.046
84 HB3 CYS 15 2HB CYS 15 -1.449 -3.699 4.087
85 H LYS 16 H LYS 16 -1.678 -2.631 -0.126
86 HA LYS 16 HA LYS 16 -0.168 -5.023 -0.737
87 HB2 LYS 16 1HB LYS 16 -0.646 -2.507 -2.344
88 HB3 LYS 16 2HB LYS 16 0.175 -3.942 -2.944
89 HG2 LYS 16 1HG LYS 16 -2.615 -4.091 -1.866
90 HG3 LYS 16 2HG LYS 16 -2.295 -3.613 -3.535
91 HD2 LYS 16 1HD LYS 16 -1.288 -5.696 -4.036
92 HD3 LYS 16 2HD LYS 16 -1.199 -6.144 -2.331
93 HE2 LYS 16 1HE LYS 16 -3.031 -7.355 -2.963
94 HE3 LYS 16 2HE LYS 16 -3.814 -5.855 -2.469
95 HZ1 LYS 16 3HZ LYS 16 -3.565 -7.028 -5.102
96 HZ2 LYS 16 1HZ LYS 16 -3.289 -5.360 -5.044
97 HZ3 LYS 16 2HZ LYS 16 -4.753 -5.994 -4.484
98 H GLU 17 H GLU 17 0.751 -3.181 1.394
99 HA GLU 17 HA GLU 17 3.370 -2.450 0.258
100 HB2 GLU 17 1HB GLU 17 2.309 -1.309 2.823
101 HB3 GLU 17 2HB GLU 17 3.536 -0.655 1.747
102 HG2 GLU 17 1HG GLU 17 0.733 -0.939 0.776
103 HG3 GLU 17 2HG GLU 17 1.160 0.401 1.838
104 H CYS 18 H CYS 18 1.680 -4.006 2.911
105 HA CYS 18 HA CYS 18 4.213 -5.283 3.690
106 HB2 CYS 18 1HB CYS 18 3.570 -5.176 6.036
107 HB3 CYS 18 2HB CYS 18 3.610 -3.555 5.351
108 H GLY 19 H GLY 19 0.666 -5.454 3.871
109 HA2 GLY 19 1HA GLY 19 -0.190 -7.601 2.835
110 HA3 GLY 19 2HA GLY 19 0.906 -8.396 3.955
111 H LYS 20 H LYS 20 -0.827 -5.539 4.909
112 HA LYS 20 HA LYS 20 -2.176 -7.055 6.982
113 HB2 LYS 20 1HB LYS 20 -1.021 -4.672 7.108
114 HB3 LYS 20 2HB LYS 20 -2.615 -4.128 6.601
115 HG2 LYS 20 1HG LYS 20 -2.894 -4.027 8.848
116 HG3 LYS 20 2HG LYS 20 -3.381 -5.703 8.584
117 HD2 LYS 20 1HD LYS 20 -0.821 -6.169 8.944
118 HD3 LYS 20 2HD LYS 20 -0.872 -4.615 9.778
119 HE2 LYS 20 1HE LYS 20 -1.249 -6.219 11.451
120 HE3 LYS 20 2HE LYS 20 -2.842 -5.560 11.082
121 HZ1 LYS 20 3HZ LYS 20 -3.454 -7.474 9.944
122 HZ2 LYS 20 1HZ LYS 20 -2.602 -8.078 11.276
123 HZ3 LYS 20 2HZ LYS 20 -1.860 -8.010 9.758
124 H ALA 21 H ALA 21 -4.477 -6.734 7.427
125 HA ALA 21 HA ALA 21 -6.060 -6.166 5.012
126 HB1 ALA 21 3HB ALA 21 -7.348 -8.096 5.231
127 HB2 ALA 21 1HB ALA 21 -5.703 -8.654 5.537
128 HB3 ALA 21 2HB ALA 21 -6.808 -8.383 6.885
129 H PHE 22 H PHE 22 -8.001 -5.144 5.326
130 HA PHE 22 HA PHE 22 -8.880 -4.649 8.076
131 HB2 PHE 22 1HB PHE 22 -8.657 -2.416 6.056
132 HB3 PHE 22 2HB PHE 22 -9.037 -2.284 7.770
133 HD1 PHE 22 HD1 PHE 22 -6.381 -2.808 5.308
134 HD2 PHE 22 HD2 PHE 22 -7.309 -2.373 9.439
135 HE1 PHE 22 HE1 PHE 22 -3.995 -2.462 5.804
136 HE2 PHE 22 HE2 PHE 22 -4.925 -2.025 9.942
137 HZ PHE 22 HZ PHE 22 -3.265 -2.068 8.123
138 H SER 23 H SER 23 -10.996 -4.947 8.286
139 HA SER 23 HA SER 23 -12.645 -5.756 6.183
140 HB2 SER 23 1HB SER 23 -14.433 -5.771 7.760
141 HB3 SER 23 2HB SER 23 -12.978 -6.183 8.667
142 HG SER 23 HG SER 23 -13.829 -4.637 9.890
143 H GLN 24 H GLN 24 -12.092 -2.590 7.586
144 HA GLN 24 HA GLN 24 -14.055 -1.425 5.738
145 HB2 GLN 24 1HB GLN 24 -12.772 -0.362 8.251
146 HB3 GLN 24 2HB GLN 24 -13.699 0.655 7.156
147 HG2 GLN 24 1HG GLN 24 -14.892 -1.850 8.262
148 HG3 GLN 24 2HG GLN 24 -14.848 -0.375 9.227
149 HE21 GLN 24 1HE2 GLN 24 -16.457 1.010 8.989
150 HE22 GLN 24 2HE2 GLN 24 -17.591 1.028 7.686
151 H THR 25 H THR 25 -13.493 0.350 4.425
152 HA THR 25 HA THR 25 -10.934 0.184 3.237
153 HB THR 25 HB THR 25 -11.609 2.156 1.919
154 HG1 THR 25 HG1 THR 25 -13.963 2.750 2.431
155 HG21 THR 25 3HG2 THR 25 -12.372 0.073 1.071
156 HG22 THR 25 1HG2 THR 25 -13.747 1.174 0.988
157 HG23 THR 25 2HG2 THR 25 -13.655 -0.027 2.277
158 H THR 26 H THR 26 -12.432 2.798 5.148
159 HA THR 26 HA THR 26 -10.315 4.551 5.255
160 HB THR 26 HB THR 26 -12.453 5.182 6.169
161 HG1 THR 26 HG1 THR 26 -11.515 6.424 7.612
162 HG21 THR 26 3HG2 THR 26 -11.929 3.093 8.286
163 HG22 THR 26 1HG2 THR 26 -13.188 3.048 7.053
164 HG23 THR 26 2HG2 THR 26 -13.245 4.265 8.328
165 H HIS 27 H HIS 27 -10.788 1.583 7.057
166 HA HIS 27 HA HIS 27 -8.736 2.005 8.970
167 HB2 HIS 27 1HB HIS 27 -10.212 -0.421 7.986
168 HB3 HIS 27 2HB HIS 27 -8.861 -0.584 9.103
169 HD1 HIS 27 HD1 HIS 27 -11.865 -1.294 9.776
170 HD2 HIS 27 HD2 HIS 27 -9.890 2.204 10.837
171 HE1 HIS 27 HE1 HIS 27 -13.104 -0.401 11.774
172 H LEU 28 H LEU 28 -8.762 0.883 5.684
173 HA LEU 28 HA LEU 28 -6.112 -0.251 5.801
174 HB2 LEU 28 1HB LEU 28 -7.627 -1.250 4.270
175 HB3 LEU 28 2HB LEU 28 -8.026 0.308 3.550
176 HG LEU 28 HG LEU 28 -5.918 0.426 2.446
177 HD11 LEU 28 1HD1 LEU 28 -5.071 -2.187 3.642
178 HD12 LEU 28 2HD1 LEU 28 -4.709 -0.655 4.435
179 HD13 LEU 28 3HD1 LEU 28 -4.094 -0.974 2.814
180 HD21 LEU 28 3HD2 LEU 28 -7.428 -2.132 2.228
181 HD22 LEU 28 1HD2 LEU 28 -5.930 -1.946 1.315
182 HD23 LEU 28 2HD2 LEU 28 -7.260 -0.815 1.066
183 H ILE 29 H ILE 29 -7.569 2.803 4.991
184 HA ILE 29 HA ILE 29 -5.288 3.865 3.621
185 HB ILE 29 HB ILE 29 -7.619 5.331 4.862
186 HG12 ILE 29 1HG1 ILE 29 -7.191 4.540 1.975
187 HG13 ILE 29 2HG1 ILE 29 -8.208 3.642 3.098
188 HG21 ILE 29 1HG2 ILE 29 -5.648 6.251 2.774
189 HG22 ILE 29 2HG2 ILE 29 -6.990 7.183 3.437
190 HG23 ILE 29 3HG2 ILE 29 -5.633 6.735 4.470
191 HD11 ILE 29 3HD1 ILE 29 -9.736 5.435 3.282
192 HD12 ILE 29 1HD1 ILE 29 -8.643 6.542 2.452
193 HD13 ILE 29 2HD1 ILE 29 -9.403 5.221 1.564
194 H GLN 30 H GLN 30 -6.587 4.099 6.903
195 HA GLN 30 HA GLN 30 -4.830 6.024 7.905
196 HB2 GLN 30 1HB GLN 30 -5.380 5.121 10.125
197 HB3 GLN 30 2HB GLN 30 -6.814 5.318 9.126
198 HG2 GLN 30 1HG GLN 30 -6.831 2.939 8.645
199 HG3 GLN 30 2HG GLN 30 -5.361 2.724 9.594
200 HE21 GLN 30 1HE2 GLN 30 -7.449 1.212 10.252
201 HE22 GLN 30 2HE2 GLN 30 -8.174 1.749 11.725
202 H HIS 31 H HIS 31 -4.554 2.481 7.896
203 HA HIS 31 HA HIS 31 -2.052 2.380 9.202
204 HB2 HIS 31 1HB HIS 31 -3.143 0.341 9.241
205 HB3 HIS 31 2HB HIS 31 -3.664 0.468 7.564
206 HD1 HIS 31 HD1 HIS 31 -0.934 -0.815 9.703
207 HD2 HIS 31 HD2 HIS 31 -1.685 -0.280 5.652
208 HE1 HIS 31 HE1 HIS 31 0.815 -2.172 8.510
209 H GLN 32 H GLN 32 -2.972 2.584 5.806
210 HA GLN 32 HA GLN 32 -0.574 2.049 4.563
211 HB2 GLN 32 1HB GLN 32 -2.864 3.854 3.901
212 HB3 GLN 32 2HB GLN 32 -1.417 3.910 2.904
213 HG2 GLN 32 1HG GLN 32 -1.662 1.668 2.237
214 HG3 GLN 32 2HG GLN 32 -2.862 1.347 3.489
215 HE21 GLN 32 1HE2 GLN 32 -3.549 0.583 1.071
216 HE22 GLN 32 2HE2 GLN 32 -4.706 1.649 0.357
217 H ARG 33 H ARG 33 -1.445 4.785 6.492
218 HA ARG 33 HA ARG 33 0.338 6.715 5.596
219 HB2 ARG 33 1HB ARG 33 -0.841 6.114 8.290
220 HB3 ARG 33 2HB ARG 33 0.329 7.413 8.100
221 HG2 ARG 33 1HG ARG 33 -1.091 8.662 6.748
222 HG3 ARG 33 2HG ARG 33 -2.104 7.269 6.364
223 HD2 ARG 33 1HD ARG 33 -3.364 8.547 7.881
224 HD3 ARG 33 2HD ARG 33 -2.703 7.219 8.833
225 HE ARG 33 HE ARG 33 -1.425 8.727 10.012
226 HH11 ARG 33 1HH1 ARG 33 -2.847 10.288 7.244
227 HH12 ARG 33 2HH1 ARG 33 -2.407 11.884 7.754
228 HH21 ARG 33 1HH2 ARG 33 -0.840 10.824 10.694
229 HH22 ARG 33 2HH2 ARG 33 -1.265 12.188 9.717
230 H VAL 34 H VAL 34 0.910 3.820 7.430
231 HA VAL 34 HA VAL 34 3.454 4.510 8.477
232 HB VAL 34 HB VAL 34 3.745 2.160 8.948
233 HG11 VAL 34 1HG1 VAL 34 1.032 3.326 9.426
234 HG12 VAL 34 2HG1 VAL 34 1.424 1.707 10.009
235 HG13 VAL 34 3HG1 VAL 34 2.365 3.095 10.557
236 HG21 VAL 34 3HG2 VAL 34 2.155 1.818 6.620
237 HG22 VAL 34 1HG2 VAL 34 3.000 0.592 7.565
238 HG23 VAL 34 2HG2 VAL 34 1.337 1.021 7.964
239 H HIS 35 H HIS 35 2.392 3.685 5.345
240 HA HIS 35 HA HIS 35 5.165 3.149 4.500
241 HB2 HIS 35 1HB HIS 35 2.700 2.391 2.937
242 HB3 HIS 35 2HB HIS 35 4.350 1.818 2.709
243 HD1 HIS 35 HD1 HIS 35 5.277 0.300 4.784
244 HD2 HIS 35 HD2 HIS 35 1.161 0.761 4.465
245 HE1 HIS 35 HE1 HIS 35 4.285 -1.552 6.165
246 H THR 36 H THR 36 2.444 5.214 4.214
247 HA THR 36 HA THR 36 3.585 6.543 1.855
248 HB THR 36 HB THR 36 1.393 7.809 1.839
249 HG1 THR 36 HG1 THR 36 0.315 5.751 3.414
250 HG21 THR 36 3HG2 THR 36 1.984 5.706 0.485
251 HG22 THR 36 1HG2 THR 36 0.281 6.142 0.622
252 HG23 THR 36 2HG2 THR 36 0.943 4.847 1.620
253 H GLY 37 H GLY 37 5.183 7.071 3.847
254 HA2 GLY 37 1HA GLY 37 4.292 9.408 5.335
255 HA3 GLY 37 2HA GLY 37 5.847 8.604 5.487
256 H GLU 38 H GLU 38 4.997 11.480 5.074
257 HA GLU 38 HA GLU 38 6.530 12.012 2.617
258 HB2 GLU 38 1HB GLU 38 4.279 12.909 2.514
259 HB3 GLU 38 2HB GLU 38 4.499 13.726 4.056
260 HG2 GLU 38 1HG GLU 38 4.670 15.272 2.183
261 HG3 GLU 38 2HG GLU 38 6.183 15.171 3.082
262 H LYS 39 H LYS 39 8.432 13.019 2.757
263 HA LYS 39 HA LYS 39 9.302 13.947 5.399
264 HB2 LYS 39 1HB LYS 39 10.766 13.003 2.951
265 HB3 LYS 39 2HB LYS 39 11.596 13.934 4.191
266 HG2 LYS 39 1HG LYS 39 11.463 12.251 5.740
267 HG3 LYS 39 2HG LYS 39 10.029 11.536 5.001
268 HD2 LYS 39 1HD LYS 39 11.294 10.556 3.264
269 HD3 LYS 39 2HD LYS 39 12.714 11.532 3.645
270 HE2 LYS 39 1HE LYS 39 13.047 10.342 5.704
271 HE3 LYS 39 2HE LYS 39 11.529 9.469 5.496
272 HZ1 LYS 39 3HZ LYS 39 12.854 7.905 4.625
273 HZ2 LYS 39 1HZ LYS 39 14.117 8.983 4.301
274 HZ3 LYS 39 2HZ LYS 39 12.814 8.860 3.230
275 HA PRO 40 HA PRO 40 9.177 18.171 4.165
276 HB2 PRO 40 1HB PRO 40 11.001 19.183 5.902
277 HB3 PRO 40 2HB PRO 40 9.382 18.674 6.397
278 HG2 PRO 40 1HG PRO 40 11.982 17.206 6.623
279 HG3 PRO 40 2HG PRO 40 10.673 17.353 7.811
280 HD2 PRO 40 1HD PRO 40 10.995 15.155 6.262
281 HD3 PRO 40 2HD PRO 40 9.399 15.721 6.796
282 H SER 41 H SER 41 11.886 16.174 3.771
283 HA SER 41 HA SER 41 13.734 18.135 2.812
284 HB2 SER 41 1HB SER 41 14.500 15.981 3.722
285 HB3 SER 41 2HB SER 41 13.698 15.135 2.399
286 HG SER 41 HG SER 41 15.667 15.356 1.595
287 H GLY 42 H GLY 42 14.195 18.753 0.739
288 HA2 GLY 42 1HA GLY 42 12.109 18.217 -1.228
289 HA3 GLY 42 2HA GLY 42 13.353 19.453 -1.339
290 HA PRO 43 HA PRO 43 15.656 16.953 -4.100
291 HB2 PRO 43 1HB PRO 43 18.211 17.581 -3.428
292 HB3 PRO 43 2HB PRO 43 17.139 18.700 -4.279
293 HG2 PRO 43 1HG PRO 43 17.830 18.583 -1.369
294 HG3 PRO 43 2HG PRO 43 17.694 19.997 -2.430
295 HD2 PRO 43 1HD PRO 43 15.728 19.266 -0.717
296 HD3 PRO 43 2HD PRO 43 15.395 20.048 -2.275
297 H SER 44 H SER 44 16.260 14.875 -4.184
298 HA SER 44 HA SER 44 17.621 13.678 -1.881
299 HB2 SER 44 1HB SER 44 15.172 13.230 -1.682
300 HB3 SER 44 2HB SER 44 15.234 12.404 -3.238
301 HG SER 44 HG SER 44 15.441 11.066 -1.274
302 H SER 45 H SER 45 19.211 12.302 -2.420
303 HA SER 45 HA SER 45 19.236 10.948 -4.974
304 HB2 SER 45 1HB SER 45 21.363 11.894 -5.725
305 HB3 SER 45 2HB SER 45 20.161 13.171 -5.541
306 HG SER 45 HG SER 45 21.228 13.164 -3.253
307 H GLY 46 H GLY 46 21.423 9.721 -5.197
308 HA2 GLY 46 1HA GLY 46 23.197 9.109 -3.265
309 HA3 GLY 46 2HA GLY 46 21.761 8.254 -2.721
Start of MODEL 19
1 H1 GLY 1 H GLY 1 1.775 -35.855 6.658
2 HA2 GLY 1 1HA GLY 1 0.926 -37.251 9.120
3 HA3 GLY 1 2HA GLY 1 2.486 -36.466 8.927
4 H SER 2 H SER 2 2.638 -34.631 10.009
5 HA SER 2 HA SER 2 0.365 -33.282 11.059
6 HB2 SER 2 1HB SER 2 3.238 -32.338 10.910
7 HB3 SER 2 2HB SER 2 1.977 -31.664 11.942
8 HG SER 2 HG SER 2 3.536 -33.367 12.790
9 H SER 3 H SER 3 -0.983 -32.199 9.777
10 HA SER 3 HA SER 3 0.051 -30.739 7.470
11 HB2 SER 3 1HB SER 3 -1.914 -32.177 7.137
12 HB3 SER 3 2HB SER 3 -2.802 -31.252 8.348
13 HG SER 3 HG SER 3 -2.066 -29.419 6.782
14 H GLY 4 H GLY 4 -0.284 -28.530 7.137
15 HA2 GLY 4 1HA GLY 4 -0.851 -27.021 9.610
16 HA3 GLY 4 2HA GLY 4 0.254 -26.487 8.352
17 H SER 5 H SER 5 -1.785 -24.868 9.342
18 HA SER 5 HA SER 5 -3.488 -24.634 6.955
19 HB2 SER 5 1HB SER 5 -4.884 -25.524 8.743
20 HB3 SER 5 2HB SER 5 -4.358 -24.237 9.828
21 HG SER 5 HG SER 5 -6.252 -24.201 7.848
22 H SER 6 H SER 6 -2.895 -22.840 5.945
23 HA SER 6 HA SER 6 -2.453 -20.411 7.545
24 HB2 SER 6 1HB SER 6 -0.314 -21.514 6.630
25 HB3 SER 6 2HB SER 6 -0.874 -20.989 5.043
26 HG SER 6 HG SER 6 0.497 -19.574 6.709
27 H GLY 7 H GLY 7 -4.119 -19.129 7.077
28 HA2 GLY 7 1HA GLY 7 -4.489 -18.036 4.506
29 HA3 GLY 7 2HA GLY 7 -5.712 -19.269 4.779
30 H THR 8 H THR 8 -4.582 -16.106 5.634
31 HA THR 8 HA THR 8 -7.143 -15.607 6.982
32 HB THR 8 HB THR 8 -5.985 -14.140 8.625
33 HG1 THR 8 HG1 THR 8 -3.617 -15.419 7.684
34 HG21 THR 8 3HG2 THR 8 -5.310 -17.074 8.562
35 HG22 THR 8 1HG2 THR 8 -6.618 -16.274 9.433
36 HG23 THR 8 2HG2 THR 8 -4.947 -16.044 9.947
37 H GLY 9 H GLY 9 -8.068 -13.649 6.556
38 HA2 GLY 9 1HA GLY 9 -7.951 -11.335 5.921
39 HA3 GLY 9 2HA GLY 9 -6.490 -11.699 5.015
40 H GLU 10 H GLU 10 -9.937 -12.598 5.105
41 HA GLU 10 HA GLU 10 -9.880 -13.016 2.216
42 HB2 GLU 10 1HB GLU 10 -12.326 -13.364 3.912
43 HB3 GLU 10 2HB GLU 10 -11.869 -14.208 2.439
44 HG2 GLU 10 1HG GLU 10 -11.598 -15.796 4.109
45 HG3 GLU 10 2HG GLU 10 -9.964 -15.206 3.814
46 H LYS 11 H LYS 11 -10.202 -10.439 4.147
47 HA LYS 11 HA LYS 11 -12.553 -9.181 3.165
48 HB2 LYS 11 1HB LYS 11 -10.109 -7.788 4.258
49 HB3 LYS 11 2HB LYS 11 -11.769 -7.207 4.262
50 HG2 LYS 11 1HG LYS 11 -11.180 -9.751 5.673
51 HG3 LYS 11 2HG LYS 11 -10.647 -8.240 6.413
52 HD2 LYS 11 1HD LYS 11 -12.740 -8.377 7.313
53 HD3 LYS 11 2HD LYS 11 -13.126 -7.509 5.825
54 HE2 LYS 11 1HE LYS 11 -14.720 -9.204 5.899
55 HE3 LYS 11 2HE LYS 11 -13.492 -9.840 4.806
56 HZ1 LYS 11 3HZ LYS 11 -14.480 -11.073 7.045
57 HZ2 LYS 11 1HZ LYS 11 -12.947 -10.533 7.515
58 HZ3 LYS 11 2HZ LYS 11 -13.112 -11.537 6.164
59 HA PRO 12 HA PRO 12 -11.237 -7.794 -0.797
60 HB2 PRO 12 1HB PRO 12 -12.851 -5.629 -1.076
61 HB3 PRO 12 2HB PRO 12 -13.443 -7.290 -1.193
62 HG2 PRO 12 1HG PRO 12 -13.562 -5.396 1.121
63 HG3 PRO 12 2HG PRO 12 -14.815 -6.490 0.506
64 HD2 PRO 12 1HD PRO 12 -13.301 -7.081 2.671
65 HD3 PRO 12 2HD PRO 12 -13.906 -8.327 1.561
66 H TYR 13 H TYR 13 -10.444 -6.278 2.016
67 HA TYR 13 HA TYR 13 -8.938 -4.180 0.597
68 HB2 TYR 13 1HB TYR 13 -9.932 -3.973 3.442
69 HB3 TYR 13 2HB TYR 13 -9.191 -2.705 2.473
70 HD1 TYR 13 HD2 TYR 13 -10.478 -2.108 0.254
71 HD2 TYR 13 HD1 TYR 13 -12.239 -4.045 3.608
72 HE1 TYR 13 HE2 TYR 13 -12.702 -1.377 -0.499
73 HE2 TYR 13 HE1 TYR 13 -14.468 -3.320 2.864
74 HH TYR 13 HH TYR 13 -14.871 -1.254 0.012
75 H GLU 14 H GLU 14 -6.817 -4.443 0.703
76 HA GLU 14 HA GLU 14 -5.564 -5.404 3.138
77 HB2 GLU 14 1HB GLU 14 -6.166 -7.382 1.556
78 HB3 GLU 14 2HB GLU 14 -4.823 -6.796 0.585
79 HG2 GLU 14 1HG GLU 14 -3.262 -7.237 2.277
80 HG3 GLU 14 2HG GLU 14 -4.516 -7.412 3.503
81 H CYS 15 H CYS 15 -3.511 -4.646 3.414
82 HA CYS 15 HA CYS 15 -2.666 -2.532 1.657
83 HB2 CYS 15 1HB CYS 15 -2.469 -2.488 4.177
84 HB3 CYS 15 2HB CYS 15 -1.167 -3.663 4.023
85 H LYS 16 H LYS 16 -2.296 -3.798 -0.263
86 HA LYS 16 HA LYS 16 -0.638 -5.942 -0.609
87 HB2 LYS 16 1HB LYS 16 -1.362 -3.609 -2.307
88 HB3 LYS 16 2HB LYS 16 -0.015 -4.607 -2.840
89 HG2 LYS 16 1HG LYS 16 -1.752 -6.550 -2.358
90 HG3 LYS 16 2HG LYS 16 -2.902 -5.246 -2.667
91 HD2 LYS 16 1HD LYS 16 -2.624 -6.007 -4.800
92 HD3 LYS 16 2HD LYS 16 -1.308 -4.832 -4.744
93 HE2 LYS 16 1HE LYS 16 0.256 -6.628 -4.161
94 HE3 LYS 16 2HE LYS 16 -1.062 -7.796 -4.232
95 HZ1 LYS 16 3HZ LYS 16 -0.998 -7.847 -6.454
96 HZ2 LYS 16 1HZ LYS 16 0.552 -7.190 -6.290
97 HZ3 LYS 16 2HZ LYS 16 -0.767 -6.179 -6.605
98 H GLU 17 H GLU 17 0.242 -2.776 0.376
99 HA GLU 17 HA GLU 17 2.904 -2.654 -0.487
100 HB2 GLU 17 1HB GLU 17 1.853 -1.529 2.109
101 HB3 GLU 17 2HB GLU 17 3.220 -0.949 1.169
102 HG2 GLU 17 1HG GLU 17 1.505 -0.524 -0.690
103 HG3 GLU 17 2HG GLU 17 0.297 -0.695 0.583
104 H CYS 18 H CYS 18 1.686 -3.588 2.736
105 HA CYS 18 HA CYS 18 4.151 -5.158 3.104
106 HB2 CYS 18 1HB CYS 18 3.807 -4.886 5.522
107 HB3 CYS 18 2HB CYS 18 3.929 -3.326 4.714
108 H GLY 19 H GLY 19 0.647 -5.140 3.532
109 HA2 GLY 19 1HA GLY 19 -0.482 -7.247 2.905
110 HA3 GLY 19 2HA GLY 19 0.766 -8.080 3.821
111 H LYS 20 H LYS 20 -1.838 -5.691 4.187
112 HA LYS 20 HA LYS 20 -2.525 -6.951 6.743
113 HB2 LYS 20 1HB LYS 20 -1.116 -4.812 7.011
114 HB3 LYS 20 2HB LYS 20 -2.545 -3.955 6.449
115 HG2 LYS 20 1HG LYS 20 -3.754 -4.449 8.345
116 HG3 LYS 20 2HG LYS 20 -2.775 -5.868 8.726
117 HD2 LYS 20 1HD LYS 20 -1.460 -3.198 8.742
118 HD3 LYS 20 2HD LYS 20 -2.532 -3.611 10.082
119 HE2 LYS 20 1HE LYS 20 -0.546 -4.406 10.894
120 HE3 LYS 20 2HE LYS 20 -1.142 -5.845 10.068
121 HZ1 LYS 20 3HZ LYS 20 1.233 -5.252 9.623
122 HZ2 LYS 20 1HZ LYS 20 0.679 -3.888 8.788
123 HZ3 LYS 20 2HZ LYS 20 0.275 -5.436 8.241
124 H ALA 21 H ALA 21 -4.557 -7.610 6.594
125 HA ALA 21 HA ALA 21 -6.386 -6.274 4.750
126 HB1 ALA 21 3HB ALA 21 -7.626 -8.475 6.048
127 HB2 ALA 21 1HB ALA 21 -7.123 -8.328 4.363
128 HB3 ALA 21 2HB ALA 21 -6.000 -8.960 5.568
129 H PHE 22 H PHE 22 -8.086 -5.075 5.371
130 HA PHE 22 HA PHE 22 -8.730 -4.984 8.244
131 HB2 PHE 22 1HB PHE 22 -8.593 -2.678 6.292
132 HB3 PHE 22 2HB PHE 22 -9.236 -2.559 7.927
133 HD1 PHE 22 HD2 PHE 22 -7.765 -2.674 9.855
134 HD2 PHE 22 HD1 PHE 22 -6.230 -2.869 5.890
135 HE1 PHE 22 HE2 PHE 22 -5.503 -2.223 10.712
136 HE2 PHE 22 HE1 PHE 22 -3.966 -2.419 6.741
137 HZ PHE 22 HZ PHE 22 -3.600 -2.094 9.155
138 H SER 23 H SER 23 -10.899 -4.591 8.800
139 HA SER 23 HA SER 23 -12.807 -5.808 7.129
140 HB2 SER 23 1HB SER 23 -13.273 -5.914 9.431
141 HB3 SER 23 2HB SER 23 -13.007 -4.186 9.657
142 HG SER 23 HG SER 23 -15.290 -5.234 9.433
143 H GLN 24 H GLN 24 -12.082 -2.416 7.804
144 HA GLN 24 HA GLN 24 -13.961 -1.655 5.667
145 HB2 GLN 24 1HB GLN 24 -12.989 -0.056 8.040
146 HB3 GLN 24 2HB GLN 24 -13.986 0.594 6.745
147 HG2 GLN 24 1HG GLN 24 -15.754 -0.998 7.312
148 HG3 GLN 24 2HG GLN 24 -14.756 -1.630 8.620
149 HE21 GLN 24 1HE2 GLN 24 -16.832 0.902 7.575
150 HE22 GLN 24 2HE2 GLN 24 -16.898 1.763 9.071
151 H THR 25 H THR 25 -13.280 -0.318 4.034
152 HA THR 25 HA THR 25 -10.667 -0.455 3.155
153 HB THR 25 HB THR 25 -12.517 0.157 1.675
154 HG1 THR 25 HG1 THR 25 -10.212 1.728 1.876
155 HG21 THR 25 3HG2 THR 25 -13.494 2.365 1.690
156 HG22 THR 25 1HG2 THR 25 -12.448 2.860 3.020
157 HG23 THR 25 2HG2 THR 25 -13.694 1.640 3.285
158 H THR 26 H THR 26 -12.225 2.090 5.054
159 HA THR 26 HA THR 26 -10.190 3.986 5.021
160 HB THR 26 HB THR 26 -12.376 4.508 5.940
161 HG1 THR 26 HG1 THR 26 -11.519 5.884 7.325
162 HG21 THR 26 3HG2 THR 26 -11.699 2.866 8.368
163 HG22 THR 26 1HG2 THR 26 -12.631 2.210 7.023
164 HG23 THR 26 2HG2 THR 26 -13.245 3.592 7.930
165 H HIS 27 H HIS 27 -10.651 1.196 7.148
166 HA HIS 27 HA HIS 27 -8.570 1.713 8.944
167 HB2 HIS 27 1HB HIS 27 -10.094 -0.704 8.111
168 HB3 HIS 27 2HB HIS 27 -8.591 -0.959 8.993
169 HD1 HIS 27 HD1 HIS 27 -8.651 -0.624 11.480
170 HD2 HIS 27 HD2 HIS 27 -12.068 0.799 9.592
171 HE1 HIS 27 HE1 HIS 27 -10.245 -0.031 13.333
172 H LEU 28 H LEU 28 -8.504 0.672 5.671
173 HA LEU 28 HA LEU 28 -5.815 -0.408 5.838
174 HB2 LEU 28 1HB LEU 28 -7.171 -1.562 4.320
175 HB3 LEU 28 2HB LEU 28 -7.816 -0.074 3.630
176 HG LEU 28 HG LEU 28 -5.710 0.349 2.503
177 HD11 LEU 28 1HD1 LEU 28 -4.728 -2.284 3.575
178 HD12 LEU 28 2HD1 LEU 28 -4.304 -0.727 4.285
179 HD13 LEU 28 3HD1 LEU 28 -3.836 -1.096 2.626
180 HD21 LEU 28 3HD2 LEU 28 -5.771 -2.268 1.489
181 HD22 LEU 28 1HD2 LEU 28 -6.608 -0.847 0.865
182 HD23 LEU 28 2HD2 LEU 28 -7.413 -1.907 2.022
183 H ILE 29 H ILE 29 -7.452 2.368 4.346
184 HA ILE 29 HA ILE 29 -5.168 3.529 3.192
185 HB ILE 29 HB ILE 29 -7.682 4.892 4.166
186 HG12 ILE 29 1HG1 ILE 29 -6.976 4.067 1.350
187 HG13 ILE 29 2HG1 ILE 29 -7.902 3.037 2.436
188 HG21 ILE 29 1HG2 ILE 29 -5.639 6.344 3.783
189 HG22 ILE 29 2HG2 ILE 29 -5.768 5.901 2.081
190 HG23 ILE 29 3HG2 ILE 29 -7.087 6.768 2.869
191 HD11 ILE 29 3HD1 ILE 29 -9.654 4.673 2.568
192 HD12 ILE 29 1HD1 ILE 29 -8.708 5.815 1.614
193 HD13 ILE 29 2HD1 ILE 29 -9.302 4.327 0.875
194 H GLN 30 H GLN 30 -6.575 3.803 6.406
195 HA GLN 30 HA GLN 30 -5.063 5.982 7.325
196 HB2 GLN 30 1HB GLN 30 -5.600 5.137 9.592
197 HB3 GLN 30 2HB GLN 30 -7.009 5.220 8.542
198 HG2 GLN 30 1HG GLN 30 -7.330 3.181 9.500
199 HG3 GLN 30 2HG GLN 30 -6.414 2.713 8.069
200 HE21 GLN 30 1HE2 GLN 30 -6.348 0.895 9.893
201 HE22 GLN 30 2HE2 GLN 30 -4.877 0.891 10.799
202 H HIS 31 H HIS 31 -4.497 2.485 7.687
203 HA HIS 31 HA HIS 31 -2.079 2.656 9.073
204 HB2 HIS 31 1HB HIS 31 -2.968 0.521 9.083
205 HB3 HIS 31 2HB HIS 31 -3.371 0.567 7.369
206 HD1 HIS 31 HD1 HIS 31 -0.731 -0.455 9.731
207 HD2 HIS 31 HD2 HIS 31 -1.159 0.036 5.628
208 HE1 HIS 31 HE1 HIS 31 1.234 -1.640 8.704
209 H GLN 32 H GLN 32 -2.740 2.612 5.600
210 HA GLN 32 HA GLN 32 -0.286 2.292 4.495
211 HB2 GLN 32 1HB GLN 32 -2.487 4.205 3.742
212 HB3 GLN 32 2HB GLN 32 -1.036 4.026 2.765
213 HG2 GLN 32 1HG GLN 32 -1.695 1.466 2.930
214 HG3 GLN 32 2HG GLN 32 -3.298 2.158 3.172
215 HE21 GLN 32 1HE2 GLN 32 -2.234 0.590 0.946
216 HE22 GLN 32 2HE2 GLN 32 -2.456 1.559 -0.466
217 H ARG 33 H ARG 33 -1.334 4.946 6.451
218 HA ARG 33 HA ARG 33 0.451 6.942 5.702
219 HB2 ARG 33 1HB ARG 33 -0.858 6.254 8.318
220 HB3 ARG 33 2HB ARG 33 0.262 7.605 8.198
221 HG2 ARG 33 1HG ARG 33 -1.135 8.729 6.636
222 HG3 ARG 33 2HG ARG 33 -2.174 7.313 6.460
223 HD2 ARG 33 1HD ARG 33 -3.313 8.842 7.878
224 HD3 ARG 33 2HD ARG 33 -2.720 7.532 8.899
225 HE ARG 33 HE ARG 33 -0.752 9.362 9.084
226 HH11 ARG 33 1HH1 ARG 33 -4.207 9.562 9.467
227 HH12 ARG 33 2HH1 ARG 33 -4.135 10.849 10.625
228 HH21 ARG 33 1HH2 ARG 33 -0.644 11.055 10.609
229 HH22 ARG 33 2HH2 ARG 33 -2.108 11.697 11.273
230 H VAL 34 H VAL 34 0.882 4.257 7.971
231 HA VAL 34 HA VAL 34 3.339 4.905 9.050
232 HB VAL 34 HB VAL 34 3.713 2.464 9.327
233 HG11 VAL 34 1HG1 VAL 34 1.231 3.865 10.128
234 HG12 VAL 34 2HG1 VAL 34 1.305 2.126 10.423
235 HG13 VAL 34 3HG1 VAL 34 2.525 3.193 11.119
236 HG21 VAL 34 3HG2 VAL 34 1.912 2.332 7.120
237 HG22 VAL 34 1HG2 VAL 34 2.806 1.026 7.900
238 HG23 VAL 34 2HG2 VAL 34 1.203 1.470 8.485
239 H HIS 35 H HIS 35 2.582 3.970 5.828
240 HA HIS 35 HA HIS 35 5.322 3.240 5.182
241 HB2 HIS 35 1HB HIS 35 2.794 3.369 3.536
242 HB3 HIS 35 2HB HIS 35 4.369 2.977 2.852
243 HD1 HIS 35 HD1 HIS 35 5.552 0.807 4.081
244 HD2 HIS 35 HD2 HIS 35 1.429 1.203 4.408
245 HE1 HIS 35 HE1 HIS 35 4.706 -1.474 4.721
246 H THR 36 H THR 36 3.096 5.909 4.763
247 HA THR 36 HA THR 36 5.175 7.400 3.306
248 HB THR 36 HB THR 36 3.066 7.254 2.086
249 HG1 THR 36 HG1 THR 36 4.020 9.691 3.068
250 HG21 THR 36 3HG2 THR 36 1.087 8.529 3.054
251 HG22 THR 36 1HG2 THR 36 1.915 8.428 4.608
252 HG23 THR 36 2HG2 THR 36 1.433 6.954 3.767
253 H GLY 37 H GLY 37 5.391 7.066 6.100
254 HA2 GLY 37 1HA GLY 37 4.322 9.324 7.487
255 HA3 GLY 37 2HA GLY 37 5.577 8.242 8.073
256 H GLU 38 H GLU 38 5.529 11.067 8.423
257 HA GLU 38 HA GLU 38 7.512 12.114 6.567
258 HB2 GLU 38 1HB GLU 38 5.488 13.411 7.527
259 HB3 GLU 38 2HB GLU 38 6.464 13.563 8.981
260 HG2 GLU 38 1HG GLU 38 8.020 14.923 7.961
261 HG3 GLU 38 2HG GLU 38 7.603 14.362 6.343
262 H LYS 39 H LYS 39 8.613 10.032 7.847
263 HA LYS 39 HA LYS 39 10.267 11.195 9.986
264 HB2 LYS 39 1HB LYS 39 9.037 9.172 10.627
265 HB3 LYS 39 2HB LYS 39 9.771 8.293 9.292
266 HG2 LYS 39 1HG LYS 39 11.945 8.475 10.294
267 HG3 LYS 39 2HG LYS 39 11.311 9.517 11.570
268 HD2 LYS 39 1HD LYS 39 9.862 7.659 12.318
269 HD3 LYS 39 2HD LYS 39 10.592 6.625 11.087
270 HE2 LYS 39 1HE LYS 39 12.747 6.812 12.132
271 HE3 LYS 39 2HE LYS 39 12.139 8.012 13.272
272 HZ1 LYS 39 3HZ LYS 39 11.017 5.279 13.137
273 HZ2 LYS 39 1HZ LYS 39 10.879 6.410 14.387
274 HZ3 LYS 39 2HZ LYS 39 12.359 5.645 14.099
275 HA PRO 40 HA PRO 40 13.012 10.899 6.247
276 HB2 PRO 40 1HB PRO 40 14.134 13.347 6.586
277 HB3 PRO 40 2HB PRO 40 12.629 13.096 5.693
278 HG2 PRO 40 1HG PRO 40 13.027 14.013 8.515
279 HG3 PRO 40 2HG PRO 40 11.904 14.626 7.286
280 HD2 PRO 40 1HD PRO 40 11.127 12.941 9.260
281 HD3 PRO 40 2HD PRO 40 10.386 12.928 7.646
282 H SER 41 H SER 41 14.826 9.787 6.560
283 HA SER 41 HA SER 41 16.443 10.371 8.954
284 HB2 SER 41 1HB SER 41 15.774 7.800 7.567
285 HB3 SER 41 2HB SER 41 17.301 7.937 8.439
286 HG SER 41 HG SER 41 14.763 7.686 9.402
287 H GLY 42 H GLY 42 18.669 10.529 8.757
288 HA2 GLY 42 1HA GLY 42 20.550 9.939 7.103
289 HA3 GLY 42 2HA GLY 42 19.614 10.934 5.997
290 HA PRO 43 HA PRO 43 21.477 13.770 9.488
291 HB2 PRO 43 1HB PRO 43 23.681 12.744 10.697
292 HB3 PRO 43 2HB PRO 43 22.045 12.517 11.328
293 HG2 PRO 43 1HG PRO 43 23.723 10.648 9.700
294 HG3 PRO 43 2HG PRO 43 22.707 10.298 11.111
295 HD2 PRO 43 1HD PRO 43 21.901 9.797 8.575
296 HD3 PRO 43 2HD PRO 43 20.770 10.258 9.863
297 H SER 44 H SER 44 22.977 11.936 7.064
298 HA SER 44 HA SER 44 25.507 12.946 6.778
299 HB2 SER 44 1HB SER 44 23.435 12.182 4.734
300 HB3 SER 44 2HB SER 44 25.029 12.751 4.242
301 HG SER 44 HG SER 44 24.359 10.319 4.967
302 H SER 45 H SER 45 22.514 14.392 5.504
303 HA SER 45 HA SER 45 23.981 16.924 5.166
304 HB2 SER 45 1HB SER 45 22.142 17.520 3.559
305 HB3 SER 45 2HB SER 45 23.133 16.155 3.047
306 HG SER 45 HG SER 45 21.455 14.801 3.980
307 H GLY 46 H GLY 46 20.869 15.541 6.175
308 HA2 GLY 46 1HA GLY 46 19.521 17.766 7.020
309 HA3 GLY 46 2HA GLY 46 19.423 16.213 7.837
Start of MODEL 20
1 H1 GLY 1 H GLY 1 0.577 -25.195 2.989
2 HA2 GLY 1 1HA GLY 1 -0.177 -24.965 5.186
3 HA3 GLY 1 2HA GLY 1 -1.583 -24.380 4.309
4 H SER 2 H SER 2 -0.673 -26.386 6.704
5 HA SER 2 HA SER 2 -2.631 -28.479 6.113
6 HB2 SER 2 1HB SER 2 -0.567 -28.217 8.310
7 HB3 SER 2 2HB SER 2 -1.708 -29.555 8.184
8 HG SER 2 HG SER 2 -0.038 -28.867 6.020
9 H SER 3 H SER 3 -1.772 -26.488 8.949
10 HA SER 3 HA SER 3 -4.295 -26.868 10.201
11 HB2 SER 3 1HB SER 3 -3.526 -25.197 11.816
12 HB3 SER 3 2HB SER 3 -2.237 -26.350 11.467
13 HG SER 3 HG SER 3 -2.410 -23.649 10.893
14 H GLY 4 H GLY 4 -6.163 -25.963 9.670
15 HA2 GLY 4 1HA GLY 4 -6.148 -23.211 8.620
16 HA3 GLY 4 2HA GLY 4 -7.034 -24.466 7.767
17 H SER 5 H SER 5 -7.311 -22.009 9.957
18 HA SER 5 HA SER 5 -9.270 -23.138 11.715
19 HB2 SER 5 1HB SER 5 -8.278 -20.348 11.185
20 HB3 SER 5 2HB SER 5 -9.681 -20.626 12.217
21 HG SER 5 HG SER 5 -8.432 -21.482 13.713
22 H SER 6 H SER 6 -9.370 -21.048 8.856
23 HA SER 6 HA SER 6 -11.034 -20.560 7.384
24 HB2 SER 6 1HB SER 6 -11.310 -23.171 7.713
25 HB3 SER 6 2HB SER 6 -12.811 -22.689 8.504
26 HG SER 6 HG SER 6 -12.029 -21.897 5.892
27 H GLY 7 H GLY 7 -10.951 -19.096 9.743
28 HA2 GLY 7 1HA GLY 7 -13.674 -18.133 9.834
29 HA3 GLY 7 2HA GLY 7 -13.113 -18.826 11.348
30 H THR 8 H THR 8 -12.026 -16.516 8.861
31 HA THR 8 HA THR 8 -10.941 -14.849 11.036
32 HB THR 8 HB THR 8 -9.380 -13.895 9.424
33 HG1 THR 8 HG1 THR 8 -10.788 -15.565 7.619
34 HG21 THR 8 3HG2 THR 8 -7.988 -15.539 9.983
35 HG22 THR 8 1HG2 THR 8 -8.667 -16.559 8.716
36 HG23 THR 8 2HG2 THR 8 -9.364 -16.583 10.336
37 H GLY 9 H GLY 9 -12.516 -14.709 7.848
38 HA2 GLY 9 1HA GLY 9 -14.576 -13.267 7.865
39 HA3 GLY 9 2HA GLY 9 -13.547 -12.041 8.592
40 H GLU 10 H GLU 10 -15.105 -12.106 6.042
41 HA GLU 10 HA GLU 10 -13.172 -12.159 3.925
42 HB2 GLU 10 1HB GLU 10 -16.015 -11.145 4.042
43 HB3 GLU 10 2HB GLU 10 -15.043 -11.162 2.577
44 HG2 GLU 10 1HG GLU 10 -15.923 -13.543 4.191
45 HG3 GLU 10 2HG GLU 10 -16.497 -13.068 2.594
46 H LYS 11 H LYS 11 -11.696 -10.644 3.612
47 HA LYS 11 HA LYS 11 -12.434 -7.834 4.057
48 HB2 LYS 11 1HB LYS 11 -9.978 -9.271 5.040
49 HB3 LYS 11 2HB LYS 11 -9.996 -7.526 4.816
50 HG2 LYS 11 1HG LYS 11 -11.597 -7.214 6.496
51 HG3 LYS 11 2HG LYS 11 -12.043 -8.921 6.507
52 HD2 LYS 11 1HD LYS 11 -9.228 -8.207 7.145
53 HD3 LYS 11 2HD LYS 11 -10.464 -7.873 8.361
54 HE2 LYS 11 1HE LYS 11 -9.679 -10.030 8.860
55 HE3 LYS 11 2HE LYS 11 -11.213 -10.282 8.029
56 HZ1 LYS 11 3HZ LYS 11 -8.592 -10.377 6.648
57 HZ2 LYS 11 1HZ LYS 11 -10.094 -10.881 6.053
58 HZ3 LYS 11 2HZ LYS 11 -9.344 -11.747 7.297
59 HA PRO 12 HA PRO 12 -10.811 -8.286 -0.203
60 HB2 PRO 12 1HB PRO 12 -12.383 -6.324 -1.228
61 HB3 PRO 12 2HB PRO 12 -12.938 -7.990 -1.020
62 HG2 PRO 12 1HG PRO 12 -13.416 -5.602 0.722
63 HG3 PRO 12 2HG PRO 12 -14.553 -6.866 0.220
64 HD2 PRO 12 1HD PRO 12 -13.374 -6.853 2.657
65 HD3 PRO 12 2HD PRO 12 -13.797 -8.354 1.809
66 H TYR 13 H TYR 13 -10.462 -6.102 2.239
67 HA TYR 13 HA TYR 13 -8.923 -4.228 0.566
68 HB2 TYR 13 1HB TYR 13 -9.906 -3.676 3.363
69 HB3 TYR 13 2HB TYR 13 -9.307 -2.521 2.177
70 HD1 TYR 13 HD2 TYR 13 -10.706 -2.403 -0.055
71 HD2 TYR 13 HD1 TYR 13 -12.191 -3.900 3.640
72 HE1 TYR 13 HE2 TYR 13 -13.007 -1.988 -0.819
73 HE2 TYR 13 HE1 TYR 13 -14.496 -3.490 2.887
74 HH TYR 13 HH TYR 13 -15.489 -1.648 0.920
75 H GLU 14 H GLU 14 -6.827 -4.679 0.611
76 HA GLU 14 HA GLU 14 -5.555 -5.194 3.201
77 HB2 GLU 14 1HB GLU 14 -6.014 -7.329 1.797
78 HB3 GLU 14 2HB GLU 14 -4.702 -6.751 0.780
79 HG2 GLU 14 1HG GLU 14 -3.335 -6.624 2.937
80 HG3 GLU 14 2HG GLU 14 -4.608 -7.616 3.644
81 H CYS 15 H CYS 15 -3.267 -4.742 3.233
82 HA CYS 15 HA CYS 15 -2.609 -2.485 1.548
83 HB2 CYS 15 1HB CYS 15 -2.144 -2.464 3.986
84 HB3 CYS 15 2HB CYS 15 -0.995 -3.778 3.757
85 H LYS 16 H LYS 16 -1.490 -2.608 -0.272
86 HA LYS 16 HA LYS 16 -0.186 -5.100 -1.001
87 HB2 LYS 16 1HB LYS 16 -0.950 -2.601 -2.469
88 HB3 LYS 16 2HB LYS 16 0.232 -3.698 -3.170
89 HG2 LYS 16 1HG LYS 16 -1.494 -5.529 -2.853
90 HG3 LYS 16 2HG LYS 16 -2.649 -4.235 -2.523
91 HD2 LYS 16 1HD LYS 16 -2.536 -3.409 -4.685
92 HD3 LYS 16 2HD LYS 16 -0.959 -4.141 -4.991
93 HE2 LYS 16 1HE LYS 16 -2.125 -6.384 -4.828
94 HE3 LYS 16 2HE LYS 16 -3.646 -5.492 -4.870
95 HZ1 LYS 16 3HZ LYS 16 -1.681 -4.918 -6.956
96 HZ2 LYS 16 1HZ LYS 16 -3.371 -4.938 -7.038
97 HZ3 LYS 16 2HZ LYS 16 -2.507 -6.392 -7.049
98 H GLU 17 H GLU 17 1.020 -3.581 1.115
99 HA GLU 17 HA GLU 17 3.605 -2.972 -0.155
100 HB2 GLU 17 1HB GLU 17 2.624 -1.592 2.336
101 HB3 GLU 17 2HB GLU 17 3.988 -1.154 1.317
102 HG2 GLU 17 1HG GLU 17 2.120 -0.877 -0.507
103 HG3 GLU 17 2HG GLU 17 1.084 -0.683 0.905
104 H CYS 18 H CYS 18 1.896 -4.144 2.693
105 HA CYS 18 HA CYS 18 4.335 -5.602 3.466
106 HB2 CYS 18 1HB CYS 18 3.651 -5.354 5.831
107 HB3 CYS 18 2HB CYS 18 3.984 -3.804 5.065
108 H GLY 19 H GLY 19 0.797 -5.509 3.546
109 HA2 GLY 19 1HA GLY 19 -0.370 -7.524 2.788
110 HA3 GLY 19 2HA GLY 19 0.830 -8.461 3.666
111 H LYS 20 H LYS 20 -1.592 -5.914 4.250
112 HA LYS 20 HA LYS 20 -2.426 -7.394 6.649
113 HB2 LYS 20 1HB LYS 20 -0.955 -5.336 7.115
114 HB3 LYS 20 2HB LYS 20 -2.337 -4.386 6.583
115 HG2 LYS 20 1HG LYS 20 -3.636 -5.024 8.393
116 HG3 LYS 20 2HG LYS 20 -2.647 -6.447 8.727
117 HD2 LYS 20 1HD LYS 20 -0.811 -4.999 9.452
118 HD3 LYS 20 2HD LYS 20 -1.799 -3.575 9.113
119 HE2 LYS 20 1HE LYS 20 -3.493 -4.729 10.733
120 HE3 LYS 20 2HE LYS 20 -2.068 -5.605 11.290
121 HZ1 LYS 20 3HZ LYS 20 -2.038 -2.663 11.093
122 HZ2 LYS 20 1HZ LYS 20 -1.077 -3.674 12.050
123 HZ3 LYS 20 2HZ LYS 20 -2.702 -3.425 12.450
124 H ALA 21 H ALA 21 -4.514 -7.869 6.584
125 HA ALA 21 HA ALA 21 -6.243 -6.442 4.709
126 HB1 ALA 21 3HB ALA 21 -7.615 -8.301 4.680
127 HB2 ALA 21 1HB ALA 21 -6.022 -9.020 4.914
128 HB3 ALA 21 2HB ALA 21 -7.112 -8.828 6.287
129 H PHE 22 H PHE 22 -8.024 -5.289 5.298
130 HA PHE 22 HA PHE 22 -8.612 -5.079 8.174
131 HB2 PHE 22 1HB PHE 22 -8.597 -2.757 6.237
132 HB3 PHE 22 2HB PHE 22 -8.888 -2.683 7.972
133 HD1 PHE 22 HD1 PHE 22 -6.363 -3.088 5.358
134 HD2 PHE 22 HD2 PHE 22 -7.072 -2.828 9.547
135 HE1 PHE 22 HE1 PHE 22 -3.958 -2.738 5.739
136 HE2 PHE 22 HE2 PHE 22 -4.668 -2.477 9.935
137 HZ PHE 22 HZ PHE 22 -3.107 -2.431 8.030
138 H SER 23 H SER 23 -10.757 -4.724 8.736
139 HA SER 23 HA SER 23 -12.678 -5.552 6.729
140 HB2 SER 23 1HB SER 23 -14.268 -5.430 8.745
141 HB3 SER 23 2HB SER 23 -12.985 -6.639 8.803
142 HG SER 23 HG SER 23 -13.070 -4.127 10.112
143 H GLN 24 H GLN 24 -11.389 -2.665 7.599
144 HA GLN 24 HA GLN 24 -13.824 -1.218 6.797
145 HB2 GLN 24 1HB GLN 24 -11.942 -0.671 9.050
146 HB3 GLN 24 2HB GLN 24 -12.687 0.691 8.224
147 HG2 GLN 24 1HG GLN 24 -14.323 -1.578 9.296
148 HG3 GLN 24 2HG GLN 24 -13.833 -0.224 10.312
149 HE21 GLN 24 1HE2 GLN 24 -16.186 -1.386 8.292
150 HE22 GLN 24 2HE2 GLN 24 -17.010 0.093 7.946
151 H THR 25 H THR 25 -13.528 -0.313 4.881
152 HA THR 25 HA THR 25 -11.245 -0.164 3.404
153 HB THR 25 HB THR 25 -12.308 1.771 2.179
154 HG1 THR 25 HG1 THR 25 -13.491 2.766 3.774
155 HG21 THR 25 3HG2 THR 25 -13.900 0.419 1.138
156 HG22 THR 25 1HG2 THR 25 -14.325 -0.402 2.639
157 HG23 THR 25 2HG2 THR 25 -12.785 -0.747 1.850
158 H THR 26 H THR 26 -12.526 2.424 5.486
159 HA THR 26 HA THR 26 -10.547 4.323 5.027
160 HB THR 26 HB THR 26 -12.501 4.995 6.217
161 HG1 THR 26 HG1 THR 26 -11.434 5.767 8.263
162 HG21 THR 26 3HG2 THR 26 -13.077 2.884 7.274
163 HG22 THR 26 1HG2 THR 26 -13.017 4.165 8.484
164 HG23 THR 26 2HG2 THR 26 -11.685 3.017 8.349
165 H HIS 27 H HIS 27 -10.563 1.536 7.161
166 HA HIS 27 HA HIS 27 -8.328 2.172 8.728
167 HB2 HIS 27 1HB HIS 27 -10.045 0.236 8.961
168 HB3 HIS 27 2HB HIS 27 -8.953 -0.648 7.899
169 HD1 HIS 27 HD1 HIS 27 -9.435 -1.608 10.771
170 HD2 HIS 27 HD2 HIS 27 -6.326 0.912 9.656
171 HE1 HIS 27 HE1 HIS 27 -7.672 -1.891 12.542
172 H LEU 28 H LEU 28 -8.570 0.393 5.665
173 HA LEU 28 HA LEU 28 -5.850 -0.257 5.425
174 HB2 LEU 28 1HB LEU 28 -7.594 -1.310 4.089
175 HB3 LEU 28 2HB LEU 28 -7.905 0.219 3.271
176 HG LEU 28 HG LEU 28 -5.694 0.127 2.240
177 HD11 LEU 28 1HD1 LEU 28 -4.613 -1.134 4.102
178 HD12 LEU 28 2HD1 LEU 28 -4.232 -1.742 2.491
179 HD13 LEU 28 3HD1 LEU 28 -5.402 -2.592 3.500
180 HD21 LEU 28 3HD2 LEU 28 -7.869 -1.245 1.483
181 HD22 LEU 28 1HD2 LEU 28 -6.726 -2.577 1.653
182 HD23 LEU 28 2HD2 LEU 28 -6.363 -1.237 0.565
183 H ILE 29 H ILE 29 -7.694 2.478 4.095
184 HA ILE 29 HA ILE 29 -5.576 3.722 2.755
185 HB ILE 29 HB ILE 29 -7.948 5.078 4.042
186 HG12 ILE 29 1HG1 ILE 29 -7.758 4.242 1.160
187 HG13 ILE 29 2HG1 ILE 29 -8.341 3.120 2.385
188 HG21 ILE 29 1HG2 ILE 29 -6.098 6.573 3.349
189 HG22 ILE 29 2HG2 ILE 29 -6.256 5.953 1.706
190 HG23 ILE 29 3HG2 ILE 29 -7.587 6.844 2.445
191 HD11 ILE 29 3HD1 ILE 29 -9.846 4.947 0.976
192 HD12 ILE 29 1HD1 ILE 29 -10.339 4.079 2.430
193 HD13 ILE 29 2HD1 ILE 29 -9.647 5.697 2.560
194 H GLN 30 H GLN 30 -6.724 4.063 6.085
195 HA GLN 30 HA GLN 30 -4.893 6.142 6.762
196 HB2 GLN 30 1HB GLN 30 -6.741 4.357 8.296
197 HB3 GLN 30 2HB GLN 30 -5.525 5.287 9.163
198 HG2 GLN 30 1HG GLN 30 -7.551 6.482 7.289
199 HG3 GLN 30 2HG GLN 30 -7.749 6.376 9.037
200 HE21 GLN 30 1HE2 GLN 30 -6.644 7.762 10.352
201 HE22 GLN 30 2HE2 GLN 30 -5.718 9.096 9.764
202 H HIS 31 H HIS 31 -4.814 2.649 6.860
203 HA HIS 31 HA HIS 31 -2.619 2.311 8.581
204 HB2 HIS 31 1HB HIS 31 -3.778 0.341 8.178
205 HB3 HIS 31 2HB HIS 31 -3.890 0.639 6.446
206 HD1 HIS 31 HD1 HIS 31 -1.438 -0.532 9.064
207 HD2 HIS 31 HD2 HIS 31 -1.879 -0.471 4.933
208 HE1 HIS 31 HE1 HIS 31 0.416 -1.977 8.168
209 H GLN 32 H GLN 32 -2.785 2.619 5.048
210 HA GLN 32 HA GLN 32 -0.176 2.189 4.348
211 HB2 GLN 32 1HB GLN 32 -2.033 4.311 3.259
212 HB3 GLN 32 2HB GLN 32 -0.552 3.775 2.476
213 HG2 GLN 32 1HG GLN 32 -2.688 1.805 3.164
214 HG3 GLN 32 2HG GLN 32 -2.826 2.807 1.719
215 HE21 GLN 32 1HE2 GLN 32 -2.807 0.521 0.846
216 HE22 GLN 32 2HE2 GLN 32 -1.266 -0.119 0.398
217 H ARG 33 H ARG 33 -1.457 4.807 6.193
218 HA ARG 33 HA ARG 33 0.446 6.792 5.776
219 HB2 ARG 33 1HB ARG 33 -1.078 6.074 8.284
220 HB3 ARG 33 2HB ARG 33 -0.139 7.548 8.091
221 HG2 ARG 33 1HG ARG 33 -1.593 8.068 6.096
222 HG3 ARG 33 2HG ARG 33 -2.622 6.731 6.614
223 HD2 ARG 33 1HD ARG 33 -3.530 8.772 7.484
224 HD3 ARG 33 2HD ARG 33 -2.857 7.842 8.823
225 HE ARG 33 HE ARG 33 -0.861 9.558 7.970
226 HH11 ARG 33 1HH1 ARG 33 -4.066 9.808 9.305
227 HH12 ARG 33 2HH1 ARG 33 -3.761 11.321 10.094
228 HH21 ARG 33 1HH2 ARG 33 -0.447 11.549 9.003
229 HH22 ARG 33 2HH2 ARG 33 -1.702 12.310 9.920
230 H VAL 34 H VAL 34 0.499 4.030 7.990
231 HA VAL 34 HA VAL 34 2.803 4.623 9.417
232 HB VAL 34 HB VAL 34 2.961 2.312 9.976
233 HG11 VAL 34 1HG1 VAL 34 0.387 3.644 9.885
234 HG12 VAL 34 2HG1 VAL 34 0.228 1.887 9.925
235 HG13 VAL 34 3HG1 VAL 34 1.135 2.721 11.187
236 HG21 VAL 34 3HG2 VAL 34 1.248 0.792 8.577
237 HG22 VAL 34 1HG2 VAL 34 1.723 1.935 7.321
238 HG23 VAL 34 2HG2 VAL 34 2.948 0.975 8.149
239 H HIS 35 H HIS 35 2.441 3.595 6.136
240 HA HIS 35 HA HIS 35 5.225 2.820 5.864
241 HB2 HIS 35 1HB HIS 35 2.937 2.967 3.899
242 HB3 HIS 35 2HB HIS 35 4.578 2.526 3.434
243 HD1 HIS 35 HD1 HIS 35 5.513 0.432 5.116
244 HD2 HIS 35 HD2 HIS 35 1.443 0.776 4.356
245 HE1 HIS 35 HE1 HIS 35 4.542 -1.834 5.614
246 H THR 36 H THR 36 4.076 5.660 6.401
247 HA THR 36 HA THR 36 4.885 7.211 4.141
248 HB THR 36 HB THR 36 3.208 7.992 5.817
249 HG1 THR 36 HG1 THR 36 3.783 9.820 4.932
250 HG21 THR 36 3HG2 THR 36 3.943 8.890 7.935
251 HG22 THR 36 1HG2 THR 36 5.620 8.487 7.566
252 HG23 THR 36 2HG2 THR 36 4.441 7.201 7.825
253 H GLY 37 H GLY 37 6.366 6.378 7.252
254 HA2 GLY 37 1HA GLY 37 8.703 7.969 6.830
255 HA3 GLY 37 2HA GLY 37 8.496 6.730 8.059
256 H GLU 38 H GLU 38 10.883 7.150 6.621
257 HA GLU 38 HA GLU 38 11.015 5.053 4.612
258 HB2 GLU 38 1HB GLU 38 12.235 7.331 4.526
259 HB3 GLU 38 2HB GLU 38 13.366 6.606 5.660
260 HG2 GLU 38 1HG GLU 38 13.899 4.865 4.071
261 HG3 GLU 38 2HG GLU 38 12.699 5.495 2.944
262 H LYS 39 H LYS 39 10.395 3.433 6.289
263 HA LYS 39 HA LYS 39 12.798 2.174 7.315
264 HB2 LYS 39 1HB LYS 39 10.488 2.886 9.133
265 HB3 LYS 39 2HB LYS 39 11.836 1.845 9.573
266 HG2 LYS 39 1HG LYS 39 12.244 4.676 8.668
267 HG3 LYS 39 2HG LYS 39 11.921 4.261 10.353
268 HD2 LYS 39 1HD LYS 39 13.877 2.631 10.142
269 HD3 LYS 39 2HD LYS 39 14.272 3.485 8.648
270 HE2 LYS 39 1HE LYS 39 13.898 4.905 11.272
271 HE3 LYS 39 2HE LYS 39 15.455 4.253 10.765
272 HZ1 LYS 39 3HZ LYS 39 14.456 5.719 8.630
273 HZ2 LYS 39 1HZ LYS 39 15.773 6.104 9.621
274 HZ3 LYS 39 2HZ LYS 39 14.228 6.674 10.008
275 HA PRO 40 HA PRO 40 10.611 -1.392 5.928
276 HB2 PRO 40 1HB PRO 40 12.075 -3.291 7.202
277 HB3 PRO 40 2HB PRO 40 12.667 -2.408 5.790
278 HG2 PRO 40 1HG PRO 40 13.239 -1.942 8.691
279 HG3 PRO 40 2HG PRO 40 14.354 -1.915 7.313
280 HD2 PRO 40 1HD PRO 40 13.358 0.343 8.426
281 HD3 PRO 40 2HD PRO 40 13.739 0.219 6.697
282 H SER 41 H SER 41 10.688 -0.328 9.140
283 HA SER 41 HA SER 41 9.655 -2.323 10.685
284 HB2 SER 41 1HB SER 41 8.613 -0.609 12.054
285 HB3 SER 41 2HB SER 41 10.166 -0.013 11.469
286 HG SER 41 HG SER 41 7.862 0.525 9.971
287 H GLY 42 H GLY 42 7.949 -3.615 10.546
288 HA2 GLY 42 1HA GLY 42 5.321 -2.899 10.153
289 HA3 GLY 42 2HA GLY 42 5.944 -3.232 8.544
290 HA PRO 43 HA PRO 43 4.897 -7.162 11.142
291 HB2 PRO 43 1HB PRO 43 2.239 -7.447 10.669
292 HB3 PRO 43 2HB PRO 43 2.878 -6.590 12.077
293 HG2 PRO 43 1HG PRO 43 1.846 -5.484 9.494
294 HG3 PRO 43 2HG PRO 43 1.557 -4.917 11.149
295 HD2 PRO 43 1HD PRO 43 3.352 -3.741 9.498
296 HD3 PRO 43 2HD PRO 43 3.578 -3.813 11.257
297 H SER 44 H SER 44 5.472 -8.870 9.968
298 HA SER 44 HA SER 44 4.903 -8.924 7.114
299 HB2 SER 44 1HB SER 44 6.437 -10.910 7.129
300 HB3 SER 44 2HB SER 44 7.177 -9.431 7.741
301 HG SER 44 HG SER 44 6.728 -11.795 9.006
302 H SER 45 H SER 45 4.414 -10.996 9.959
303 HA SER 45 HA SER 45 2.973 -13.016 8.619
304 HB2 SER 45 1HB SER 45 2.261 -13.722 10.876
305 HB3 SER 45 2HB SER 45 3.991 -13.387 10.815
306 HG SER 45 HG SER 45 3.343 -12.318 12.582
307 H GLY 46 H GLY 46 0.659 -13.551 9.067
308 HA2 GLY 46 1HA GLY 46 -1.492 -12.507 9.842
309 HA3 GLY 46 2HA GLY 46 -0.966 -11.086 8.953