Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505266 | 2ep3 RC | 11170 | 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 -21.587 5.149 -11.273
2 HA2 GLY 1 1HA GLY 1 -22.017 5.301 -14.191
3 HA3 GLY 1 2HA GLY 1 -20.619 5.967 -13.359
4 H SER 2 H SER 2 -19.987 4.472 -15.411
5 HA SER 2 HA SER 2 -19.707 1.687 -14.689
6 HB2 SER 2 1HB SER 2 -18.629 1.432 -16.858
7 HB3 SER 2 2HB SER 2 -20.099 2.389 -17.040
8 HG SER 2 HG SER 2 -17.730 3.770 -16.562
9 H SER 3 H SER 3 -18.514 3.254 -12.772
10 HA SER 3 HA SER 3 -15.678 3.444 -13.285
11 HB2 SER 3 1HB SER 3 -17.399 3.962 -10.864
12 HB3 SER 3 2HB SER 3 -15.638 4.019 -10.784
13 HG SER 3 HG SER 3 -16.019 5.494 -12.756
14 H GLY 4 H GLY 4 -14.164 2.476 -11.578
15 HA2 GLY 4 1HA GLY 4 -14.610 0.310 -10.004
16 HA3 GLY 4 2HA GLY 4 -14.562 -0.380 -11.619
17 H SER 5 H SER 5 -12.751 -0.755 -9.326
18 HA SER 5 HA SER 5 -10.284 0.545 -10.120
19 HB2 SER 5 1HB SER 5 -10.747 -1.580 -8.013
20 HB3 SER 5 2HB SER 5 -9.292 -0.603 -8.210
21 HG SER 5 HG SER 5 -11.739 0.056 -7.104
22 H SER 6 H SER 6 -11.424 -2.820 -9.827
23 HA SER 6 HA SER 6 -9.282 -4.174 -10.837
24 HB2 SER 6 1HB SER 6 -11.446 -5.171 -10.009
25 HB3 SER 6 2HB SER 6 -12.140 -4.817 -11.591
26 HG SER 6 HG SER 6 -9.731 -6.240 -11.457
27 H GLY 7 H GLY 7 -8.135 -3.968 -12.634
28 HA2 GLY 7 1HA GLY 7 -9.046 -4.156 -15.220
29 HA3 GLY 7 2HA GLY 7 -9.069 -2.436 -14.862
30 H THR 8 H THR 8 -7.151 -1.311 -14.668
31 HA THR 8 HA THR 8 -5.045 -1.828 -16.240
32 HB THR 8 HB THR 8 -5.257 0.272 -15.004
33 HG1 THR 8 HG1 THR 8 -2.870 -1.187 -15.025
34 HG21 THR 8 3HG2 THR 8 -5.881 -0.742 -12.822
35 HG22 THR 8 1HG2 THR 8 -4.608 0.469 -12.687
36 HG23 THR 8 2HG2 THR 8 -4.204 -1.246 -12.615
37 H GLY 9 H GLY 9 -5.416 -3.047 -12.936
38 HA2 GLY 9 1HA GLY 9 -3.660 -5.261 -13.537
39 HA3 GLY 9 2HA GLY 9 -3.005 -4.132 -12.361
40 H GLU 10 H GLU 10 -3.904 -6.987 -12.166
41 HA GLU 10 HA GLU 10 -5.977 -6.666 -10.102
42 HB2 GLU 10 1HB GLU 10 -5.267 -8.913 -11.948
43 HB3 GLU 10 2HB GLU 10 -6.046 -9.272 -10.413
44 HG2 GLU 10 1HG GLU 10 -7.722 -7.406 -11.222
45 HG3 GLU 10 2HG GLU 10 -7.115 -7.883 -12.807
46 H LYS 11 H LYS 11 -4.538 -6.042 -8.456
47 HA LYS 11 HA LYS 11 -2.537 -8.028 -7.643
48 HB2 LYS 11 1HB LYS 11 -2.869 -5.103 -7.217
49 HB3 LYS 11 2HB LYS 11 -2.089 -6.021 -5.935
50 HG2 LYS 11 1HG LYS 11 -0.414 -5.121 -7.395
51 HG3 LYS 11 2HG LYS 11 -0.463 -6.875 -7.587
52 HD2 LYS 11 1HD LYS 11 -1.702 -6.672 -9.636
53 HD3 LYS 11 2HD LYS 11 -1.877 -4.930 -9.408
54 HE2 LYS 11 1HE LYS 11 0.680 -4.857 -9.429
55 HE3 LYS 11 2HE LYS 11 0.599 -6.498 -10.070
56 HZ1 LYS 11 3HZ LYS 11 -1.040 -4.478 -11.388
57 HZ2 LYS 11 1HZ LYS 11 -0.195 -5.786 -12.048
58 HZ3 LYS 11 2HZ LYS 11 0.632 -4.374 -11.622
59 HA PRO 12 HA PRO 12 -5.011 -9.467 -4.305
60 HB2 PRO 12 1HB PRO 12 -3.058 -10.297 -2.611
61 HB3 PRO 12 2HB PRO 12 -3.481 -11.168 -4.091
62 HG2 PRO 12 1HG PRO 12 -1.231 -9.257 -3.594
63 HG3 PRO 12 2HG PRO 12 -1.216 -10.798 -4.470
64 HD2 PRO 12 1HD PRO 12 -1.319 -8.406 -5.734
65 HD3 PRO 12 2HD PRO 12 -2.097 -9.863 -6.384
66 H TYR 13 H TYR 13 -2.312 -7.306 -3.531
67 HA TYR 13 HA TYR 13 -3.722 -6.416 -1.119
68 HB2 TYR 13 1HB TYR 13 -0.904 -5.773 -2.009
69 HB3 TYR 13 2HB TYR 13 -1.621 -5.400 -0.445
70 HD1 TYR 13 HD1 TYR 13 -2.029 -7.185 1.192
71 HD2 TYR 13 HD2 TYR 13 -0.112 -7.987 -2.521
72 HE1 TYR 13 HE1 TYR 13 -1.245 -9.344 2.070
73 HE2 TYR 13 HE2 TYR 13 0.677 -10.149 -1.653
74 HH TYR 13 HH TYR 13 -0.547 -11.599 1.057
75 H ARG 14 H ARG 14 -3.856 -4.118 -0.670
76 HA ARG 14 HA ARG 14 -3.538 -2.280 -2.884
77 HB2 ARG 14 1HB ARG 14 -5.748 -3.278 -3.318
78 HB3 ARG 14 2HB ARG 14 -6.269 -2.813 -1.704
79 HG2 ARG 14 1HG ARG 14 -7.157 -1.109 -2.928
80 HG3 ARG 14 2HG ARG 14 -5.586 -0.414 -2.522
81 HD2 ARG 14 1HD ARG 14 -4.718 -0.861 -4.661
82 HD3 ARG 14 2HD ARG 14 -6.029 -1.973 -5.050
83 HE ARG 14 HE ARG 14 -7.131 0.554 -4.589
84 HH11 ARG 14 1HH1 ARG 14 -5.060 -1.052 -6.880
85 HH12 ARG 14 2HH1 ARG 14 -5.520 -0.036 -8.206
86 HH21 ARG 14 1HH2 ARG 14 -7.745 1.898 -6.326
87 HH22 ARG 14 2HH2 ARG 14 -7.047 1.642 -7.889
88 H CYS 15 H CYS 15 -3.309 -0.181 -2.233
89 HA CYS 15 HA CYS 15 -2.963 0.244 0.608
90 HB2 CYS 15 1HB CYS 15 -1.462 1.098 -1.358
91 HB3 CYS 15 2HB CYS 15 -2.644 2.399 -1.452
92 H ALA 16 H ALA 16 -4.674 0.733 1.809
93 HA ALA 16 HA ALA 16 -7.062 1.873 0.755
94 HB1 ALA 16 3HB ALA 16 -6.467 0.427 2.981
95 HB2 ALA 16 1HB ALA 16 -6.693 2.040 3.657
96 HB3 ALA 16 2HB ALA 16 -7.982 1.290 2.715
97 H GLU 17 H GLU 17 -4.144 3.262 1.384
98 HA GLU 17 HA GLU 17 -5.146 5.753 2.491
99 HB2 GLU 17 1HB GLU 17 -2.416 4.750 1.726
100 HB3 GLU 17 2HB GLU 17 -2.691 6.446 2.097
101 HG2 GLU 17 1HG GLU 17 -3.197 4.118 3.936
102 HG3 GLU 17 2HG GLU 17 -1.858 5.260 4.036
103 H CYS 18 H CYS 18 -3.334 4.832 -0.444
104 HA CYS 18 HA CYS 18 -4.465 7.195 -1.783
105 HB2 CYS 18 1HB CYS 18 -2.602 6.901 -3.412
106 HB3 CYS 18 2HB CYS 18 -2.049 7.207 -1.769
107 H GLY 19 H GLY 19 -3.693 3.764 -2.334
108 HA2 GLY 19 1HA GLY 19 -5.595 2.437 -3.248
109 HA3 GLY 19 2HA GLY 19 -5.801 3.743 -4.406
110 H LYS 20 H LYS 20 -2.699 2.456 -3.372
111 HA LYS 20 HA LYS 20 -2.045 1.860 -6.136
112 HB2 LYS 20 1HB LYS 20 -0.500 3.035 -4.465
113 HB3 LYS 20 2HB LYS 20 -0.257 1.448 -3.746
114 HG2 LYS 20 1HG LYS 20 0.841 0.627 -5.627
115 HG3 LYS 20 2HG LYS 20 0.208 1.904 -6.669
116 HD2 LYS 20 1HD LYS 20 1.741 3.447 -5.939
117 HD3 LYS 20 2HD LYS 20 1.930 2.673 -4.363
118 HE2 LYS 20 1HE LYS 20 3.931 2.140 -5.358
119 HE3 LYS 20 2HE LYS 20 2.961 0.729 -5.777
120 HZ1 LYS 20 3HZ LYS 20 4.071 1.420 -7.729
121 HZ2 LYS 20 1HZ LYS 20 3.630 3.038 -7.510
122 HZ3 LYS 20 2HZ LYS 20 2.457 1.890 -7.917
123 H ALA 21 H ALA 21 -1.225 -0.170 -6.842
124 HA ALA 21 HA ALA 21 -2.329 -2.432 -5.322
125 HB1 ALA 21 3HB ALA 21 -2.488 -1.706 -8.062
126 HB2 ALA 21 1HB ALA 21 -1.593 -3.222 -7.946
127 HB3 ALA 21 2HB ALA 21 -3.208 -3.095 -7.247
128 H PHE 22 H PHE 22 -1.088 -4.175 -4.785
129 HA PHE 22 HA PHE 22 1.723 -4.180 -5.629
130 HB2 PHE 22 1HB PHE 22 0.780 -4.527 -2.775
131 HB3 PHE 22 2HB PHE 22 2.442 -4.688 -3.333
132 HD1 PHE 22 HD2 PHE 22 -0.284 -2.349 -2.631
133 HD2 PHE 22 HD1 PHE 22 3.768 -2.755 -3.870
134 HE1 PHE 22 HE2 PHE 22 0.066 0.058 -2.263
135 HE2 PHE 22 HE1 PHE 22 4.125 -0.349 -3.503
136 HZ PHE 22 HZ PHE 22 2.272 1.062 -2.700
137 H THR 23 H THR 23 2.745 -6.223 -5.582
138 HA THR 23 HA THR 23 0.900 -8.426 -5.964
139 HB THR 23 HB THR 23 3.911 -8.490 -6.200
140 HG1 THR 23 HG1 THR 23 3.248 -8.284 -8.545
141 HG21 THR 23 3HG2 THR 23 2.331 -10.606 -6.121
142 HG22 THR 23 1HG2 THR 23 3.683 -10.518 -7.249
143 HG23 THR 23 2HG2 THR 23 2.046 -10.170 -7.805
144 H ASP 24 H ASP 24 3.499 -7.511 -3.760
145 HA ASP 24 HA ASP 24 2.676 -9.724 -1.998
146 HB2 ASP 24 1HB ASP 24 5.044 -9.850 -1.222
147 HB3 ASP 24 2HB ASP 24 4.834 -10.305 -2.910
148 H ARG 25 H ARG 25 2.691 -9.314 0.224
149 HA ARG 25 HA ARG 25 1.875 -6.807 1.061
150 HB2 ARG 25 1HB ARG 25 1.425 -8.783 2.381
151 HB3 ARG 25 2HB ARG 25 3.142 -9.036 2.659
152 HG2 ARG 25 1HG ARG 25 3.219 -6.912 3.912
153 HG3 ARG 25 2HG ARG 25 1.475 -6.755 3.696
154 HD2 ARG 25 1HD ARG 25 1.002 -8.451 5.157
155 HD3 ARG 25 2HD ARG 25 2.525 -9.285 4.849
156 HE ARG 25 HE ARG 25 2.807 -6.763 6.213
157 HH11 ARG 25 1HH1 ARG 25 2.312 -10.191 6.562
158 HH12 ARG 25 2HH1 ARG 25 2.920 -10.246 8.184
159 HH21 ARG 25 1HH2 ARG 25 3.610 -6.822 8.348
160 HH22 ARG 25 2HH2 ARG 25 3.657 -8.329 9.199
161 H SER 26 H SER 26 5.058 -8.302 1.672
162 HA SER 26 HA SER 26 6.412 -6.411 2.979
163 HB2 SER 26 1HB SER 26 8.449 -7.099 1.848
164 HB3 SER 26 2HB SER 26 7.412 -8.507 2.076
165 HG SER 26 HG SER 26 7.286 -8.721 -0.008
166 H ASN 27 H ASN 27 5.683 -6.265 -0.485
167 HA ASN 27 HA ASN 27 7.053 -3.853 -1.003
168 HB2 ASN 27 1HB ASN 27 4.985 -5.475 -2.405
169 HB3 ASN 27 2HB ASN 27 5.199 -3.806 -2.925
170 HD21 ASN 27 1HD2 ASN 27 7.739 -3.292 -2.924
171 HD22 ASN 27 2HD2 ASN 27 8.646 -4.397 -3.894
172 H LEU 28 H LEU 28 3.645 -4.520 -0.254
173 HA LEU 28 HA LEU 28 2.659 -1.928 -0.454
174 HB2 LEU 28 1HB LEU 28 1.209 -3.847 -0.219
175 HB3 LEU 28 2HB LEU 28 1.833 -4.157 1.400
176 HG LEU 28 HG LEU 28 0.834 -2.000 2.134
177 HD11 LEU 28 1HD1 LEU 28 -0.342 -2.035 -0.640
178 HD12 LEU 28 2HD1 LEU 28 0.751 -0.827 0.035
179 HD13 LEU 28 3HD1 LEU 28 -0.885 -0.989 0.673
180 HD21 LEU 28 3HD2 LEU 28 -1.629 -2.974 1.485
181 HD22 LEU 28 1HD2 LEU 28 -0.631 -3.549 2.821
182 HD23 LEU 28 2HD2 LEU 28 -0.609 -4.398 1.275
183 H PHE 29 H PHE 29 3.737 -3.607 2.505
184 HA PHE 29 HA PHE 29 3.490 -1.503 4.278
185 HB2 PHE 29 1HB PHE 29 5.218 -3.933 4.171
186 HB3 PHE 29 2HB PHE 29 5.583 -2.706 5.380
187 HD1 PHE 29 HD2 PHE 29 2.453 -4.236 4.033
188 HD2 PHE 29 HD1 PHE 29 4.793 -3.258 7.452
189 HE1 PHE 29 HE2 PHE 29 0.701 -5.160 5.492
190 HE2 PHE 29 HE1 PHE 29 3.045 -4.182 8.917
191 HZ PHE 29 HZ PHE 29 0.995 -5.133 7.937
192 H THR 30 H THR 30 6.239 -2.329 2.202
193 HA THR 30 HA THR 30 8.051 -0.420 3.113
194 HB THR 30 HB THR 30 7.730 -1.500 0.306
195 HG1 THR 30 HG1 THR 30 9.730 -2.320 2.097
196 HG21 THR 30 3HG2 THR 30 9.840 -0.667 -0.224
197 HG22 THR 30 1HG2 THR 30 10.271 -0.408 1.466
198 HG23 THR 30 2HG2 THR 30 9.108 0.659 0.679
199 H HIS 31 H HIS 31 5.339 -0.117 0.918
200 HA HIS 31 HA HIS 31 6.052 2.530 0.042
201 HB2 HIS 31 1HB HIS 31 4.804 1.372 -1.555
202 HB3 HIS 31 2HB HIS 31 3.681 0.734 -0.358
203 HD1 HIS 31 HD1 HIS 31 4.527 4.001 -2.082
204 HD2 HIS 31 HD2 HIS 31 1.384 2.178 -0.067
205 HE1 HIS 31 HE1 HIS 31 2.571 5.561 -2.335
206 H GLN 32 H GLN 32 3.664 1.137 2.265
207 HA GLN 32 HA GLN 32 2.225 3.333 2.998
208 HB2 GLN 32 1HB GLN 32 3.260 1.103 4.750
209 HB3 GLN 32 2HB GLN 32 2.065 2.279 5.280
210 HG2 GLN 32 1HG GLN 32 1.555 0.756 2.778
211 HG3 GLN 32 2HG GLN 32 1.355 -0.059 4.328
212 HE21 GLN 32 1HE2 GLN 32 -0.826 0.085 2.884
213 HE22 GLN 32 2HE2 GLN 32 -1.918 1.290 3.466
214 H LYS 33 H LYS 33 5.567 2.767 3.558
215 HA LYS 33 HA LYS 33 6.138 4.239 5.811
216 HB2 LYS 33 1HB LYS 33 7.667 3.926 3.232
217 HB3 LYS 33 2HB LYS 33 8.324 4.800 4.610
218 HG2 LYS 33 1HG LYS 33 7.778 2.623 5.917
219 HG3 LYS 33 2HG LYS 33 7.758 1.886 4.314
220 HD2 LYS 33 1HD LYS 33 10.017 2.566 3.902
221 HD3 LYS 33 2HD LYS 33 10.046 3.538 5.375
222 HE2 LYS 33 1HE LYS 33 9.632 1.391 6.644
223 HE3 LYS 33 2HE LYS 33 9.942 0.539 5.132
224 HZ1 LYS 33 3HZ LYS 33 11.944 2.491 5.906
225 HZ2 LYS 33 1HZ LYS 33 12.135 0.941 5.255
226 HZ3 LYS 33 2HZ LYS 33 11.833 1.132 6.907
227 H ILE 34 H ILE 34 5.748 5.436 2.490
228 HA ILE 34 HA ILE 34 6.262 8.148 3.090
229 HB ILE 34 HB ILE 34 5.328 8.671 0.929
230 HG12 ILE 34 1HG1 ILE 34 4.499 5.845 0.441
231 HG13 ILE 34 2HG1 ILE 34 3.421 6.878 1.373
232 HG21 ILE 34 1HG2 ILE 34 6.487 6.559 -0.322
233 HG22 ILE 34 2HG2 ILE 34 7.367 7.925 0.360
234 HG23 ILE 34 3HG2 ILE 34 7.193 6.437 1.289
235 HD11 ILE 34 3HD1 ILE 34 4.195 7.027 -1.488
236 HD12 ILE 34 1HD1 ILE 34 2.615 7.217 -0.729
237 HD13 ILE 34 2HD1 ILE 34 3.799 8.522 -0.640
238 H HIS 35 H HIS 35 3.601 6.158 3.773
239 HA HIS 35 HA HIS 35 1.703 8.367 3.914
240 HB2 HIS 35 1HB HIS 35 1.470 5.387 4.248
241 HB3 HIS 35 2HB HIS 35 0.175 6.461 4.767
242 HD1 HIS 35 HD1 HIS 35 -0.464 8.265 2.661
243 HD2 HIS 35 HD2 HIS 35 1.045 4.505 1.742
244 HE1 HIS 35 HE1 HIS 35 -1.139 7.834 0.277
245 H THR 36 H THR 36 3.122 5.933 6.087
246 HA THR 36 HA THR 36 2.098 7.317 8.420
247 HB THR 36 HB THR 36 2.106 4.893 8.481
248 HG1 THR 36 HG1 THR 36 2.665 6.197 10.420
249 HG21 THR 36 3HG2 THR 36 4.962 5.255 7.724
250 HG22 THR 36 1HG2 THR 36 3.791 4.060 7.170
251 HG23 THR 36 2HG2 THR 36 4.542 3.888 8.756
252 H GLY 37 H GLY 37 3.699 9.049 7.088
253 HA2 GLY 37 1HA GLY 37 5.739 9.579 9.052
254 HA3 GLY 37 2HA GLY 37 6.389 9.159 7.474
255 H GLU 38 H GLU 38 3.425 10.970 8.083
256 HA GLU 38 HA GLU 38 4.708 13.485 7.409
257 HB2 GLU 38 1HB GLU 38 3.148 13.938 5.541
258 HB3 GLU 38 2HB GLU 38 4.245 12.607 5.203
259 HG2 GLU 38 1HG GLU 38 2.508 11.001 5.650
260 HG3 GLU 38 2HG GLU 38 1.404 12.285 6.139
261 H LYS 39 H LYS 39 3.406 15.321 7.846
262 HA LYS 39 HA LYS 39 1.906 15.276 10.128
263 HB2 LYS 39 1HB LYS 39 1.868 17.170 7.790
264 HB3 LYS 39 2HB LYS 39 0.850 17.438 9.199
265 HG2 LYS 39 1HG LYS 39 2.762 18.730 9.572
266 HG3 LYS 39 2HG LYS 39 2.981 17.295 10.576
267 HD2 LYS 39 1HD LYS 39 4.538 16.358 9.060
268 HD3 LYS 39 2HD LYS 39 4.124 17.524 7.801
269 HE2 LYS 39 1HE LYS 39 6.131 18.346 8.618
270 HE3 LYS 39 2HE LYS 39 4.937 19.291 9.506
271 HZ1 LYS 39 3HZ LYS 39 6.181 16.823 10.579
272 HZ2 LYS 39 1HZ LYS 39 5.246 17.955 11.419
273 HZ3 LYS 39 2HZ LYS 39 6.791 18.373 10.874
274 HA PRO 40 HA PRO 40 -1.973 13.445 9.140
275 HB2 PRO 40 1HB PRO 40 -3.482 14.538 11.114
276 HB3 PRO 40 2HB PRO 40 -2.295 13.262 11.407
277 HG2 PRO 40 1HG PRO 40 -2.040 16.217 11.814
278 HG3 PRO 40 2HG PRO 40 -1.507 14.893 12.866
279 HD2 PRO 40 1HD PRO 40 0.189 16.228 11.232
280 HD3 PRO 40 2HD PRO 40 0.401 14.511 11.630
281 H SER 41 H SER 41 -4.304 14.079 8.786
282 HA SER 41 HA SER 41 -4.444 16.759 7.567
283 HB2 SER 41 1HB SER 41 -5.788 14.198 6.669
284 HB3 SER 41 2HB SER 41 -6.050 15.784 5.942
285 HG SER 41 HG SER 41 -3.889 14.064 5.731
286 H GLY 42 H GLY 42 -6.875 17.366 7.193
287 HA2 GLY 42 1HA GLY 42 -8.637 16.462 9.317
288 HA3 GLY 42 2HA GLY 42 -8.073 18.120 9.469
289 HA PRO 43 HA PRO 43 -11.695 17.516 6.343
290 HB2 PRO 43 1HB PRO 43 -13.857 17.679 7.978
291 HB3 PRO 43 2HB PRO 43 -13.108 16.143 7.526
292 HG2 PRO 43 1HG PRO 43 -12.779 17.746 10.033
293 HG3 PRO 43 2HG PRO 43 -12.973 15.993 9.843
294 HD2 PRO 43 1HD PRO 43 -10.564 17.154 10.266
295 HD3 PRO 43 2HD PRO 43 -10.756 15.680 9.296
296 H SER 44 H SER 44 -12.062 19.412 5.395
297 HA SER 44 HA SER 44 -12.011 21.711 5.153
298 HB2 SER 44 1HB SER 44 -14.379 21.046 6.887
299 HB3 SER 44 2HB SER 44 -14.079 22.702 6.362
300 HG SER 44 HG SER 44 -14.665 20.426 4.806
301 H SER 45 H SER 45 -10.032 21.108 6.918
302 HA SER 45 HA SER 45 -9.971 23.495 8.548
303 HB2 SER 45 1HB SER 45 -11.002 21.509 9.903
304 HB3 SER 45 2HB SER 45 -9.336 20.938 9.986
305 HG SER 45 HG SER 45 -10.513 22.835 11.440
306 H GLY 46 H GLY 46 -8.070 24.378 8.106
307 HA2 GLY 46 1HA GLY 46 -5.794 24.606 7.841
308 HA3 GLY 46 2HA GLY 46 -5.616 22.969 8.455
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -15.584 9.769 -14.240
2 HA2 GLY 1 1HA GLY 1 -17.965 8.276 -13.392
3 HA3 GLY 1 2HA GLY 1 -16.801 7.755 -14.601
4 H SER 2 H SER 2 -15.827 5.969 -13.927
5 HA SER 2 HA SER 2 -14.425 5.970 -11.398
6 HB2 SER 2 1HB SER 2 -16.904 5.071 -11.144
7 HB3 SER 2 2HB SER 2 -16.199 3.601 -11.816
8 HG SER 2 HG SER 2 -14.703 3.609 -10.109
9 H SER 3 H SER 3 -12.816 4.362 -11.258
10 HA SER 3 HA SER 3 -12.234 3.037 -13.826
11 HB2 SER 3 1HB SER 3 -9.910 3.338 -13.429
12 HB3 SER 3 2HB SER 3 -10.662 4.884 -13.033
13 HG SER 3 HG SER 3 -9.642 2.910 -11.298
14 H GLY 4 H GLY 4 -11.123 0.980 -13.727
15 HA2 GLY 4 1HA GLY 4 -10.330 -0.885 -12.380
16 HA3 GLY 4 2HA GLY 4 -11.542 -0.455 -11.182
17 H SER 5 H SER 5 -12.233 -2.672 -11.275
18 HA SER 5 HA SER 5 -13.315 -4.501 -12.192
19 HB2 SER 5 1HB SER 5 -15.028 -2.771 -11.328
20 HB3 SER 5 2HB SER 5 -15.348 -2.444 -13.031
21 HG SER 5 HG SER 5 -16.202 -4.490 -11.507
22 H SER 6 H SER 6 -11.415 -3.644 -14.020
23 HA SER 6 HA SER 6 -12.685 -3.409 -16.617
24 HB2 SER 6 1HB SER 6 -9.767 -3.628 -15.838
25 HB3 SER 6 2HB SER 6 -10.355 -3.345 -17.477
26 HG SER 6 HG SER 6 -10.996 -1.353 -16.925
27 H GLY 7 H GLY 7 -10.597 -5.751 -14.935
28 HA2 GLY 7 1HA GLY 7 -11.915 -8.021 -15.881
29 HA3 GLY 7 2HA GLY 7 -10.605 -7.679 -17.001
30 H THR 8 H THR 8 -9.703 -9.725 -16.377
31 HA THR 8 HA THR 8 -8.748 -10.012 -13.651
32 HB THR 8 HB THR 8 -8.239 -11.812 -16.027
33 HG1 THR 8 HG1 THR 8 -10.397 -11.553 -14.269
34 HG21 THR 8 3HG2 THR 8 -8.227 -12.726 -13.191
35 HG22 THR 8 1HG2 THR 8 -6.820 -11.855 -13.800
36 HG23 THR 8 2HG2 THR 8 -7.337 -13.350 -14.580
37 H GLY 9 H GLY 9 -6.841 -9.297 -12.969
38 HA2 GLY 9 1HA GLY 9 -4.362 -9.613 -13.773
39 HA3 GLY 9 2HA GLY 9 -4.875 -8.415 -14.952
40 H GLU 10 H GLU 10 -5.457 -8.779 -11.455
41 HA GLU 10 HA GLU 10 -4.236 -6.125 -11.079
42 HB2 GLU 10 1HB GLU 10 -5.926 -5.644 -9.358
43 HB3 GLU 10 2HB GLU 10 -6.657 -5.899 -10.936
44 HG2 GLU 10 1HG GLU 10 -7.313 -8.141 -10.306
45 HG3 GLU 10 2HG GLU 10 -6.512 -7.958 -8.747
46 H LYS 11 H LYS 11 -4.011 -5.792 -8.532
47 HA LYS 11 HA LYS 11 -2.490 -8.122 -7.591
48 HB2 LYS 11 1HB LYS 11 -2.298 -5.181 -6.949
49 HB3 LYS 11 2HB LYS 11 -1.460 -6.410 -6.010
50 HG2 LYS 11 1HG LYS 11 0.139 -5.661 -7.521
51 HG3 LYS 11 2HG LYS 11 -0.453 -7.160 -8.240
52 HD2 LYS 11 1HD LYS 11 -1.828 -5.953 -9.784
53 HD3 LYS 11 2HD LYS 11 -1.489 -4.424 -8.970
54 HE2 LYS 11 1HE LYS 11 -0.153 -4.515 -10.947
55 HE3 LYS 11 2HE LYS 11 0.917 -4.732 -9.563
56 HZ1 LYS 11 3HZ LYS 11 0.769 -7.159 -9.967
57 HZ2 LYS 11 1HZ LYS 11 1.508 -6.308 -11.229
58 HZ3 LYS 11 2HZ LYS 11 -0.089 -6.843 -11.390
59 HA PRO 12 HA PRO 12 -5.391 -8.868 -4.365
60 HB2 PRO 12 1HB PRO 12 -3.766 -10.148 -2.607
61 HB3 PRO 12 2HB PRO 12 -4.347 -10.897 -4.098
62 HG2 PRO 12 1HG PRO 12 -1.704 -9.611 -3.529
63 HG3 PRO 12 2HG PRO 12 -2.051 -11.115 -4.402
64 HD2 PRO 12 1HD PRO 12 -1.507 -8.785 -5.671
65 HD3 PRO 12 2HD PRO 12 -2.606 -10.005 -6.345
66 H TYR 13 H TYR 13 -2.240 -7.513 -3.447
67 HA TYR 13 HA TYR 13 -3.397 -6.331 -1.048
68 HB2 TYR 13 1HB TYR 13 -0.554 -6.209 -2.073
69 HB3 TYR 13 2HB TYR 13 -1.111 -5.693 -0.485
70 HD1 TYR 13 HD1 TYR 13 -1.860 -7.382 1.170
71 HD2 TYR 13 HD2 TYR 13 -0.123 -8.509 -2.547
72 HE1 TYR 13 HE1 TYR 13 -1.454 -9.641 2.052
73 HE2 TYR 13 HE2 TYR 13 0.288 -10.772 -1.675
74 HH TYR 13 HH TYR 13 -0.286 -12.231 0.003
75 H ARG 14 H ARG 14 -3.809 -4.204 -0.773
76 HA ARG 14 HA ARG 14 -2.915 -2.295 -2.797
77 HB2 ARG 14 1HB ARG 14 -5.135 -3.078 -3.533
78 HB3 ARG 14 2HB ARG 14 -5.809 -2.607 -1.979
79 HG2 ARG 14 1HG ARG 14 -4.801 -0.264 -2.633
80 HG3 ARG 14 2HG ARG 14 -4.945 -0.920 -4.264
81 HD2 ARG 14 1HD ARG 14 -7.189 -0.811 -2.254
82 HD3 ARG 14 2HD ARG 14 -6.931 0.378 -3.530
83 HE ARG 14 HE ARG 14 -7.972 -2.305 -3.827
84 HH11 ARG 14 1HH1 ARG 14 -6.594 0.480 -5.397
85 HH12 ARG 14 2HH1 ARG 14 -7.218 0.070 -6.960
86 HH21 ARG 14 1HH2 ARG 14 -8.800 -2.855 -5.880
87 HH22 ARG 14 2HH2 ARG 14 -8.473 -1.827 -7.234
88 H CYS 15 H CYS 15 -2.852 -0.140 -2.091
89 HA CYS 15 HA CYS 15 -2.519 0.152 0.753
90 HB2 CYS 15 1HB CYS 15 -1.060 1.224 -1.039
91 HB3 CYS 15 2HB CYS 15 -2.387 2.350 -1.309
92 H ALA 16 H ALA 16 -4.060 0.709 2.129
93 HA ALA 16 HA ALA 16 -6.608 1.685 1.164
94 HB1 ALA 16 3HB ALA 16 -6.958 0.136 2.823
95 HB2 ALA 16 1HB ALA 16 -5.576 0.680 3.774
96 HB3 ALA 16 2HB ALA 16 -7.057 1.637 3.743
97 H GLU 17 H GLU 17 -4.282 3.438 0.920
98 HA GLU 17 HA GLU 17 -5.265 5.685 2.549
99 HB2 GLU 17 1HB GLU 17 -2.415 4.980 1.853
100 HB3 GLU 17 2HB GLU 17 -2.891 6.560 2.459
101 HG2 GLU 17 1HG GLU 17 -3.663 4.134 3.999
102 HG3 GLU 17 2HG GLU 17 -1.998 4.708 4.073
103 H CYS 18 H CYS 18 -3.527 4.770 -0.409
104 HA CYS 18 HA CYS 18 -4.602 7.198 -1.688
105 HB2 CYS 18 1HB CYS 18 -2.653 6.997 -3.262
106 HB3 CYS 18 2HB CYS 18 -2.213 7.379 -1.600
107 H GLY 19 H GLY 19 -3.580 3.848 -2.342
108 HA2 GLY 19 1HA GLY 19 -5.443 2.483 -3.364
109 HA3 GLY 19 2HA GLY 19 -5.555 3.787 -4.537
110 H LYS 20 H LYS 20 -2.591 2.424 -3.197
111 HA LYS 20 HA LYS 20 -1.617 1.929 -5.881
112 HB2 LYS 20 1HB LYS 20 -0.331 2.880 -3.780
113 HB3 LYS 20 2HB LYS 20 -0.075 1.175 -3.436
114 HG2 LYS 20 1HG LYS 20 1.790 1.586 -4.658
115 HG3 LYS 20 2HG LYS 20 0.690 1.153 -5.968
116 HD2 LYS 20 1HD LYS 20 0.167 3.741 -5.914
117 HD3 LYS 20 2HD LYS 20 1.775 3.815 -5.192
118 HE2 LYS 20 1HE LYS 20 2.026 4.096 -7.547
119 HE3 LYS 20 2HE LYS 20 2.618 2.487 -7.135
120 HZ1 LYS 20 3HZ LYS 20 -0.152 2.923 -8.069
121 HZ2 LYS 20 1HZ LYS 20 0.739 1.485 -8.048
122 HZ3 LYS 20 2HZ LYS 20 1.123 2.701 -9.158
123 H ALA 21 H ALA 21 -0.758 -0.099 -6.577
124 HA ALA 21 HA ALA 21 -2.121 -2.391 -5.331
125 HB1 ALA 21 3HB ALA 21 -2.554 -3.237 -7.377
126 HB2 ALA 21 1HB ALA 21 -2.360 -1.557 -7.878
127 HB3 ALA 21 2HB ALA 21 -1.018 -2.689 -8.049
128 H PHE 22 H PHE 22 -1.008 -4.253 -4.850
129 HA PHE 22 HA PHE 22 1.829 -4.427 -5.480
130 HB2 PHE 22 1HB PHE 22 0.845 -4.561 -2.623
131 HB3 PHE 22 2HB PHE 22 2.508 -4.751 -3.169
132 HD1 PHE 22 HD1 PHE 22 3.652 -2.774 -4.246
133 HD2 PHE 22 HD2 PHE 22 -0.032 -2.452 -2.139
134 HE1 PHE 22 HE1 PHE 22 4.010 -0.353 -3.997
135 HE2 PHE 22 HE2 PHE 22 0.320 -0.030 -1.887
136 HZ PHE 22 HZ PHE 22 2.342 1.023 -2.818
137 H THR 23 H THR 23 2.421 -6.461 -5.903
138 HA THR 23 HA THR 23 0.474 -8.553 -5.816
139 HB THR 23 HB THR 23 2.302 -9.990 -6.705
140 HG1 THR 23 HG1 THR 23 4.322 -9.126 -7.018
141 HG21 THR 23 3HG2 THR 23 1.843 -7.323 -8.036
142 HG22 THR 23 1HG2 THR 23 0.957 -8.824 -8.303
143 HG23 THR 23 2HG2 THR 23 2.636 -8.686 -8.825
144 H ASP 24 H ASP 24 3.107 -7.547 -3.788
145 HA ASP 24 HA ASP 24 2.474 -9.746 -1.947
146 HB2 ASP 24 1HB ASP 24 5.305 -8.793 -2.217
147 HB3 ASP 24 2HB ASP 24 4.702 -10.318 -1.575
148 H ARG 25 H ARG 25 1.809 -8.935 -0.082
149 HA ARG 25 HA ARG 25 1.593 -6.374 0.700
150 HB2 ARG 25 1HB ARG 25 1.511 -7.122 3.014
151 HB3 ARG 25 2HB ARG 25 0.696 -8.281 1.973
152 HG2 ARG 25 1HG ARG 25 2.811 -9.633 1.989
153 HG3 ARG 25 2HG ARG 25 3.409 -8.539 3.238
154 HD2 ARG 25 1HD ARG 25 1.110 -10.461 3.359
155 HD3 ARG 25 2HD ARG 25 2.512 -10.347 4.423
156 HE ARG 25 HE ARG 25 1.284 -7.985 4.819
157 HH11 ARG 25 1HH1 ARG 25 0.134 -11.271 4.846
158 HH12 ARG 25 2HH1 ARG 25 -1.110 -10.964 6.012
159 HH21 ARG 25 1HH2 ARG 25 -0.350 -7.568 6.355
160 HH22 ARG 25 2HH2 ARG 25 -1.385 -8.857 6.870
161 H SER 26 H SER 26 4.476 -8.375 1.109
162 HA SER 26 HA SER 26 6.085 -6.944 2.721
163 HB2 SER 26 1HB SER 26 8.010 -7.640 1.285
164 HB3 SER 26 2HB SER 26 6.885 -8.953 1.632
165 HG SER 26 HG SER 26 7.494 -7.727 -0.763
166 H ASN 27 H ASN 27 5.516 -6.193 -0.705
167 HA ASN 27 HA ASN 27 7.149 -3.857 -0.693
168 HB2 ASN 27 1HB ASN 27 5.044 -4.872 -2.606
169 HB3 ASN 27 2HB ASN 27 5.946 -3.384 -2.880
170 HD21 ASN 27 1HD2 ASN 27 5.985 -5.555 -4.622
171 HD22 ASN 27 2HD2 ASN 27 7.578 -6.223 -4.636
172 H LEU 28 H LEU 28 3.687 -4.456 -0.332
173 HA LEU 28 HA LEU 28 2.736 -1.854 -0.438
174 HB2 LEU 28 1HB LEU 28 1.176 -3.623 -0.390
175 HB3 LEU 28 2HB LEU 28 1.827 -4.256 1.120
176 HG LEU 28 HG LEU 28 0.943 -2.233 2.275
177 HD11 LEU 28 1HD1 LEU 28 -0.682 -1.722 -0.190
178 HD12 LEU 28 2HD1 LEU 28 0.868 -0.921 0.068
179 HD13 LEU 28 3HD1 LEU 28 -0.445 -0.691 1.221
180 HD21 LEU 28 3HD2 LEU 28 -0.923 -4.088 0.821
181 HD22 LEU 28 1HD2 LEU 28 -1.486 -2.927 2.024
182 HD23 LEU 28 2HD2 LEU 28 -0.346 -4.192 2.485
183 H PHE 29 H PHE 29 4.040 -3.646 2.329
184 HA PHE 29 HA PHE 29 3.570 -1.717 4.297
185 HB2 PHE 29 1HB PHE 29 5.661 -3.873 4.041
186 HB3 PHE 29 2HB PHE 29 5.559 -2.834 5.458
187 HD1 PHE 29 HD1 PHE 29 2.936 -2.617 6.265
188 HD2 PHE 29 HD2 PHE 29 4.755 -5.947 4.336
189 HE1 PHE 29 HE1 PHE 29 1.232 -4.104 7.233
190 HE2 PHE 29 HE2 PHE 29 3.053 -7.439 5.300
191 HZ PHE 29 HZ PHE 29 1.288 -6.518 6.750
192 H THR 30 H THR 30 6.288 -2.143 2.082
193 HA THR 30 HA THR 30 7.948 -0.143 3.177
194 HB THR 30 HB THR 30 7.864 -1.072 0.301
195 HG1 THR 30 HG1 THR 30 8.850 -2.230 2.646
196 HG21 THR 30 3HG2 THR 30 9.214 0.861 0.412
197 HG22 THR 30 1HG2 THR 30 10.339 -0.494 0.477
198 HG23 THR 30 2HG2 THR 30 9.921 0.375 1.953
199 H HIS 31 H HIS 31 5.501 -0.065 0.620
200 HA HIS 31 HA HIS 31 5.948 2.640 -0.118
201 HB2 HIS 31 1HB HIS 31 4.828 1.488 -1.775
202 HB3 HIS 31 2HB HIS 31 3.811 0.617 -0.631
203 HD1 HIS 31 HD1 HIS 31 3.889 3.585 -2.793
204 HD2 HIS 31 HD2 HIS 31 1.598 2.171 0.371
205 HE1 HIS 31 HE1 HIS 31 1.792 4.972 -2.809
206 H GLN 32 H GLN 32 3.466 1.095 1.914
207 HA GLN 32 HA GLN 32 1.909 3.193 2.622
208 HB2 GLN 32 1HB GLN 32 2.890 0.831 4.167
209 HB3 GLN 32 2HB GLN 32 1.956 2.064 5.003
210 HG2 GLN 32 1HG GLN 32 0.935 0.873 2.463
211 HG3 GLN 32 2HG GLN 32 0.758 0.008 3.988
212 HE21 GLN 32 1HE2 GLN 32 -1.281 0.207 4.585
213 HE22 GLN 32 2HE2 GLN 32 -2.180 1.681 4.641
214 H LYS 33 H LYS 33 5.236 2.746 3.432
215 HA LYS 33 HA LYS 33 5.555 4.279 5.702
216 HB2 LYS 33 1HB LYS 33 7.340 3.968 3.289
217 HB3 LYS 33 2HB LYS 33 7.837 4.842 4.732
218 HG2 LYS 33 1HG LYS 33 7.487 2.799 6.061
219 HG3 LYS 33 2HG LYS 33 7.069 1.934 4.580
220 HD2 LYS 33 1HD LYS 33 9.269 2.276 3.687
221 HD3 LYS 33 2HD LYS 33 9.697 3.345 5.025
222 HE2 LYS 33 1HE LYS 33 8.816 0.558 5.615
223 HE3 LYS 33 2HE LYS 33 10.449 0.828 5.010
224 HZ1 LYS 33 3HZ LYS 33 10.744 0.968 7.267
225 HZ2 LYS 33 1HZ LYS 33 9.244 1.699 7.546
226 HZ3 LYS 33 2HZ LYS 33 10.513 2.598 6.881
227 H ILE 34 H ILE 34 5.477 5.383 2.326
228 HA ILE 34 HA ILE 34 6.015 8.053 2.641
229 HB ILE 34 HB ILE 34 4.840 8.485 0.617
230 HG12 ILE 34 1HG1 ILE 34 3.449 5.817 0.894
231 HG13 ILE 34 2HG1 ILE 34 2.718 7.342 1.381
232 HG21 ILE 34 1HG2 ILE 34 6.667 6.395 0.889
233 HG22 ILE 34 2HG2 ILE 34 5.432 5.791 -0.214
234 HG23 ILE 34 3HG2 ILE 34 6.282 7.291 -0.580
235 HD11 ILE 34 3HD1 ILE 34 2.328 7.987 -0.744
236 HD12 ILE 34 1HD1 ILE 34 3.779 7.203 -1.368
237 HD13 ILE 34 2HD1 ILE 34 2.341 6.244 -1.013
238 H HIS 35 H HIS 35 3.228 6.313 3.698
239 HA HIS 35 HA HIS 35 1.662 8.730 4.119
240 HB2 HIS 35 1HB HIS 35 1.053 5.828 4.714
241 HB3 HIS 35 2HB HIS 35 -0.068 7.160 4.975
242 HD1 HIS 35 HD1 HIS 35 -1.172 8.207 2.889
243 HD2 HIS 35 HD2 HIS 35 1.389 5.046 2.045
244 HE1 HIS 35 HE1 HIS 35 -1.629 7.592 0.494
245 H THR 36 H THR 36 2.458 5.965 6.226
246 HA THR 36 HA THR 36 2.058 7.391 8.623
247 HB THR 36 HB THR 36 1.919 5.080 8.882
248 HG1 THR 36 HG1 THR 36 3.300 4.780 10.516
249 HG21 THR 36 3HG2 THR 36 4.233 5.044 7.049
250 HG22 THR 36 1HG2 THR 36 2.845 3.962 7.143
251 HG23 THR 36 2HG2 THR 36 4.193 3.767 8.264
252 H GLY 37 H GLY 37 3.255 8.969 9.448
253 HA2 GLY 37 1HA GLY 37 6.175 8.767 9.295
254 HA3 GLY 37 2HA GLY 37 5.417 10.220 8.661
255 H GLU 38 H GLU 38 5.929 11.786 10.061
256 HA GLU 38 HA GLU 38 5.153 11.391 12.867
257 HB2 GLU 38 1HB GLU 38 7.131 12.468 13.674
258 HB3 GLU 38 2HB GLU 38 7.634 11.179 12.589
259 HG2 GLU 38 1HG GLU 38 8.285 12.662 10.925
260 HG3 GLU 38 2HG GLU 38 7.333 13.984 11.597
261 H LYS 39 H LYS 39 5.118 13.578 14.038
262 HA LYS 39 HA LYS 39 3.582 15.413 12.372
263 HB2 LYS 39 1HB LYS 39 3.873 14.976 15.320
264 HB3 LYS 39 2HB LYS 39 3.264 16.517 14.731
265 HG2 LYS 39 1HG LYS 39 2.060 13.878 13.947
266 HG3 LYS 39 2HG LYS 39 1.529 14.805 15.352
267 HD2 LYS 39 1HD LYS 39 1.119 16.738 13.814
268 HD3 LYS 39 2HD LYS 39 1.457 15.657 12.460
269 HE2 LYS 39 1HE LYS 39 -0.666 15.135 14.533
270 HE3 LYS 39 2HE LYS 39 -0.974 15.959 13.006
271 HZ1 LYS 39 3HZ LYS 39 -0.369 14.020 11.802
272 HZ2 LYS 39 1HZ LYS 39 -1.466 13.537 12.996
273 HZ3 LYS 39 2HZ LYS 39 0.186 13.236 13.194
274 HA PRO 40 HA PRO 40 6.819 18.372 11.996
275 HB2 PRO 40 1HB PRO 40 5.324 20.601 11.590
276 HB3 PRO 40 2HB PRO 40 5.534 19.349 10.361
277 HG2 PRO 40 1HG PRO 40 3.247 19.794 12.240
278 HG3 PRO 40 2HG PRO 40 3.214 19.379 10.516
279 HD2 PRO 40 1HD PRO 40 2.834 17.538 12.465
280 HD3 PRO 40 2HD PRO 40 3.610 17.144 10.918
281 H SER 41 H SER 41 4.739 18.203 14.602
282 HA SER 41 HA SER 41 4.921 20.563 15.977
283 HB2 SER 41 1HB SER 41 5.093 17.738 17.044
284 HB3 SER 41 2HB SER 41 4.886 19.158 18.068
285 HG SER 41 HG SER 41 3.020 19.551 16.498
286 H GLY 42 H GLY 42 7.313 17.924 16.004
287 HA2 GLY 42 1HA GLY 42 9.480 19.784 16.276
288 HA3 GLY 42 2HA GLY 42 9.160 18.911 17.767
289 HA PRO 43 HA PRO 43 10.627 15.755 14.361
290 HB2 PRO 43 1HB PRO 43 12.102 16.872 12.375
291 HB3 PRO 43 2HB PRO 43 10.352 16.648 12.262
292 HG2 PRO 43 1HG PRO 43 11.905 19.110 12.964
293 HG3 PRO 43 2HG PRO 43 10.490 18.942 11.908
294 HD2 PRO 43 1HD PRO 43 10.308 19.840 14.455
295 HD3 PRO 43 2HD PRO 43 9.016 18.903 13.679
296 H SER 44 H SER 44 12.108 18.080 16.161
297 HA SER 44 HA SER 44 14.128 18.294 17.187
298 HB2 SER 44 1HB SER 44 15.183 16.303 17.905
299 HB3 SER 44 2HB SER 44 13.484 15.868 17.726
300 HG SER 44 HG SER 44 14.482 14.291 16.648
301 H SER 45 H SER 45 14.092 19.136 14.549
302 HA SER 45 HA SER 45 16.837 18.490 13.701
303 HB2 SER 45 1HB SER 45 14.392 18.853 11.962
304 HB3 SER 45 2HB SER 45 16.039 18.890 11.332
305 HG SER 45 HG SER 45 15.402 16.808 11.129
306 H GLY 46 H GLY 46 17.413 20.369 14.978
307 HA2 GLY 46 1HA GLY 46 16.412 22.958 14.188
308 HA3 GLY 46 2HA GLY 46 17.687 22.641 15.356
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -15.688 1.024 -5.758
2 HA2 GLY 1 1HA GLY 1 -17.073 -0.062 -7.658
3 HA3 GLY 1 2HA GLY 1 -18.232 1.186 -7.225
4 H SER 2 H SER 2 -14.798 0.821 -8.097
5 HA SER 2 HA SER 2 -15.075 2.912 -10.082
6 HB2 SER 2 1HB SER 2 -13.510 3.269 -7.551
7 HB3 SER 2 2HB SER 2 -12.927 4.013 -9.040
8 HG SER 2 HG SER 2 -15.463 4.398 -7.822
9 H SER 3 H SER 3 -12.979 3.227 -11.288
10 HA SER 3 HA SER 3 -11.279 2.373 -12.536
11 HB2 SER 3 1HB SER 3 -10.209 2.143 -10.274
12 HB3 SER 3 2HB SER 3 -10.800 0.483 -10.223
13 HG SER 3 HG SER 3 -8.757 1.604 -11.737
14 H GLY 4 H GLY 4 -13.797 1.419 -13.108
15 HA2 GLY 4 1HA GLY 4 -13.610 -1.479 -13.378
16 HA3 GLY 4 2HA GLY 4 -14.995 -0.481 -13.797
17 H SER 5 H SER 5 -11.589 -0.841 -14.799
18 HA SER 5 HA SER 5 -12.494 -0.560 -17.588
19 HB2 SER 5 1HB SER 5 -10.289 0.279 -18.129
20 HB3 SER 5 2HB SER 5 -10.917 1.194 -16.758
21 HG SER 5 HG SER 5 -9.692 -0.675 -15.585
22 H SER 6 H SER 6 -11.246 -1.787 -19.204
23 HA SER 6 HA SER 6 -11.211 -4.526 -18.621
24 HB2 SER 6 1HB SER 6 -11.497 -3.550 -20.900
25 HB3 SER 6 2HB SER 6 -9.782 -3.139 -20.901
26 HG SER 6 HG SER 6 -9.286 -5.318 -20.815
27 H GLY 7 H GLY 7 -9.388 -6.016 -18.730
28 HA2 GLY 7 1HA GLY 7 -6.855 -6.049 -18.747
29 HA3 GLY 7 2HA GLY 7 -6.985 -4.835 -17.484
30 H THR 8 H THR 8 -6.201 -7.899 -17.885
31 HA THR 8 HA THR 8 -7.650 -8.948 -15.566
32 HB THR 8 HB THR 8 -5.736 -10.447 -17.358
33 HG1 THR 8 HG1 THR 8 -8.550 -10.636 -17.532
34 HG21 THR 8 3HG2 THR 8 -5.974 -11.944 -15.695
35 HG22 THR 8 1HG2 THR 8 -7.568 -12.227 -16.393
36 HG23 THR 8 2HG2 THR 8 -7.386 -11.124 -15.029
37 H GLY 9 H GLY 9 -5.783 -6.924 -15.032
38 HA2 GLY 9 1HA GLY 9 -3.660 -8.459 -13.662
39 HA3 GLY 9 2HA GLY 9 -3.393 -6.859 -14.339
40 H GLU 10 H GLU 10 -5.412 -8.572 -11.966
41 HA GLU 10 HA GLU 10 -5.583 -6.084 -10.413
42 HB2 GLU 10 1HB GLU 10 -7.316 -8.497 -10.657
43 HB3 GLU 10 2HB GLU 10 -7.295 -7.652 -9.115
44 HG2 GLU 10 1HG GLU 10 -9.089 -6.732 -10.291
45 HG3 GLU 10 2HG GLU 10 -7.795 -5.543 -10.430
46 H LYS 11 H LYS 11 -4.228 -5.867 -8.775
47 HA LYS 11 HA LYS 11 -2.733 -8.104 -7.755
48 HB2 LYS 11 1HB LYS 11 -2.710 -5.153 -7.380
49 HB3 LYS 11 2HB LYS 11 -2.027 -6.134 -6.090
50 HG2 LYS 11 1HG LYS 11 -0.285 -5.453 -7.600
51 HG3 LYS 11 2HG LYS 11 -0.526 -7.197 -7.728
52 HD2 LYS 11 1HD LYS 11 -0.443 -6.651 -9.947
53 HD3 LYS 11 2HD LYS 11 -2.175 -6.471 -9.661
54 HE2 LYS 11 1HE LYS 11 -2.053 -4.148 -9.637
55 HE3 LYS 11 2HE LYS 11 -0.321 -4.146 -9.308
56 HZ1 LYS 11 3HZ LYS 11 -0.541 -3.537 -11.544
57 HZ2 LYS 11 1HZ LYS 11 -1.693 -4.733 -11.863
58 HZ3 LYS 11 2HZ LYS 11 -0.080 -5.164 -11.594
59 HA PRO 12 HA PRO 12 -5.368 -9.179 -4.396
60 HB2 PRO 12 1HB PRO 12 -3.535 -10.346 -2.768
61 HB3 PRO 12 2HB PRO 12 -4.135 -11.112 -4.244
62 HG2 PRO 12 1HG PRO 12 -1.587 -9.606 -3.792
63 HG3 PRO 12 2HG PRO 12 -1.851 -11.116 -4.685
64 HD2 PRO 12 1HD PRO 12 -1.590 -8.720 -5.919
65 HD3 PRO 12 2HD PRO 12 -2.616 -10.019 -6.562
66 H TYR 13 H TYR 13 -2.378 -7.415 -3.755
67 HA TYR 13 HA TYR 13 -3.517 -6.392 -1.251
68 HB2 TYR 13 1HB TYR 13 -0.688 -6.106 -2.276
69 HB3 TYR 13 2HB TYR 13 -1.272 -5.702 -0.666
70 HD1 TYR 13 HD1 TYR 13 -2.111 -7.587 0.815
71 HD2 TYR 13 HD2 TYR 13 0.069 -8.274 -2.774
72 HE1 TYR 13 HE1 TYR 13 -1.571 -9.860 1.585
73 HE2 TYR 13 HE2 TYR 13 0.613 -10.549 -2.015
74 HH TYR 13 HH TYR 13 -0.950 -12.128 0.332
75 H ARG 14 H ARG 14 -3.781 -4.212 -0.876
76 HA ARG 14 HA ARG 14 -3.046 -2.294 -2.929
77 HB2 ARG 14 1HB ARG 14 -5.213 -3.078 -3.719
78 HB3 ARG 14 2HB ARG 14 -5.923 -2.776 -2.139
79 HG2 ARG 14 1HG ARG 14 -5.805 -0.454 -2.402
80 HG3 ARG 14 2HG ARG 14 -4.668 -0.579 -3.746
81 HD2 ARG 14 1HD ARG 14 -6.809 -0.013 -4.642
82 HD3 ARG 14 2HD ARG 14 -6.467 -1.689 -5.069
83 HE ARG 14 HE ARG 14 -7.965 -1.480 -2.650
84 HH11 ARG 14 1HH1 ARG 14 -8.214 -1.400 -6.121
85 HH12 ARG 14 2HH1 ARG 14 -9.870 -1.909 -6.145
86 HH21 ARG 14 1HH2 ARG 14 -10.145 -2.151 -2.667
87 HH22 ARG 14 2HH2 ARG 14 -10.968 -2.336 -4.179
88 H CYS 15 H CYS 15 -3.278 -0.083 -2.236
89 HA CYS 15 HA CYS 15 -2.992 0.165 0.657
90 HB2 CYS 15 1HB CYS 15 -1.334 1.151 -1.008
91 HB3 CYS 15 2HB CYS 15 -2.577 2.334 -1.399
92 H ALA 16 H ALA 16 -4.444 1.116 1.947
93 HA ALA 16 HA ALA 16 -6.962 1.977 0.794
94 HB1 ALA 16 3HB ALA 16 -7.862 1.323 2.725
95 HB2 ALA 16 1HB ALA 16 -6.273 0.669 3.127
96 HB3 ALA 16 2HB ALA 16 -6.726 2.285 3.671
97 H GLU 17 H GLU 17 -4.086 3.459 1.416
98 HA GLU 17 HA GLU 17 -5.177 5.959 2.421
99 HB2 GLU 17 1HB GLU 17 -2.405 4.986 1.782
100 HB3 GLU 17 2HB GLU 17 -2.722 6.692 2.061
101 HG2 GLU 17 1HG GLU 17 -2.130 6.047 4.159
102 HG3 GLU 17 2HG GLU 17 -3.872 5.794 4.242
103 H CYS 18 H CYS 18 -3.231 5.006 -0.417
104 HA CYS 18 HA CYS 18 -4.363 7.298 -1.867
105 HB2 CYS 18 1HB CYS 18 -2.465 6.923 -3.457
106 HB3 CYS 18 2HB CYS 18 -1.959 7.342 -1.823
107 H GLY 19 H GLY 19 -3.550 3.859 -2.311
108 HA2 GLY 19 1HA GLY 19 -5.399 2.467 -3.213
109 HA3 GLY 19 2HA GLY 19 -5.656 3.753 -4.384
110 H LYS 20 H LYS 20 -2.574 2.397 -3.303
111 HA LYS 20 HA LYS 20 -1.862 1.892 -6.078
112 HB2 LYS 20 1HB LYS 20 -0.304 3.033 -4.463
113 HB3 LYS 20 2HB LYS 20 -0.165 1.502 -3.609
114 HG2 LYS 20 1HG LYS 20 1.109 0.547 -5.237
115 HG3 LYS 20 2HG LYS 20 0.393 1.521 -6.523
116 HD2 LYS 20 1HD LYS 20 1.628 3.475 -5.747
117 HD3 LYS 20 2HD LYS 20 2.316 2.529 -4.425
118 HE2 LYS 20 1HE LYS 20 3.559 1.177 -5.920
119 HE3 LYS 20 2HE LYS 20 2.674 1.786 -7.318
120 HZ1 LYS 20 3HZ LYS 20 4.848 3.026 -5.809
121 HZ2 LYS 20 1HZ LYS 20 3.663 4.050 -6.449
122 HZ3 LYS 20 2HZ LYS 20 4.546 3.034 -7.474
123 H ALA 21 H ALA 21 -1.140 -0.119 -6.858
124 HA ALA 21 HA ALA 21 -2.309 -2.403 -5.443
125 HB1 ALA 21 3HB ALA 21 -1.702 -3.474 -7.787
126 HB2 ALA 21 1HB ALA 21 -3.167 -2.520 -7.549
127 HB3 ALA 21 2HB ALA 21 -1.745 -1.785 -8.291
128 H PHE 22 H PHE 22 -1.141 -4.161 -4.817
129 HA PHE 22 HA PHE 22 1.728 -4.209 -5.434
130 HB2 PHE 22 1HB PHE 22 0.585 -4.612 -2.662
131 HB3 PHE 22 2HB PHE 22 2.285 -4.694 -3.112
132 HD1 PHE 22 HD2 PHE 22 -0.611 -2.435 -2.767
133 HD2 PHE 22 HD1 PHE 22 3.602 -2.744 -3.285
134 HE1 PHE 22 HE2 PHE 22 -0.383 -0.026 -2.320
135 HE2 PHE 22 HE1 PHE 22 3.837 -0.336 -2.838
136 HZ PHE 22 HZ PHE 22 1.843 1.026 -2.355
137 H THR 23 H THR 23 2.682 -6.253 -5.439
138 HA THR 23 HA THR 23 0.778 -8.449 -5.735
139 HB THR 23 HB THR 23 2.335 -8.143 -7.575
140 HG1 THR 23 HG1 THR 23 3.163 -10.446 -6.127
141 HG21 THR 23 3HG2 THR 23 4.211 -7.681 -5.477
142 HG22 THR 23 1HG2 THR 23 4.429 -7.475 -7.214
143 HG23 THR 23 2HG2 THR 23 4.785 -9.029 -6.459
144 H ASP 24 H ASP 24 3.175 -7.285 -3.571
145 HA ASP 24 HA ASP 24 2.814 -9.670 -1.910
146 HB2 ASP 24 1HB ASP 24 5.028 -9.669 -3.259
147 HB3 ASP 24 2HB ASP 24 5.532 -8.408 -2.138
148 H ARG 25 H ARG 25 2.674 -9.272 0.250
149 HA ARG 25 HA ARG 25 1.889 -6.806 1.184
150 HB2 ARG 25 1HB ARG 25 2.918 -9.278 2.498
151 HB3 ARG 25 2HB ARG 25 2.759 -7.824 3.475
152 HG2 ARG 25 1HG ARG 25 0.356 -7.752 2.457
153 HG3 ARG 25 2HG ARG 25 0.649 -9.467 2.165
154 HD2 ARG 25 1HD ARG 25 1.251 -9.689 4.583
155 HD3 ARG 25 2HD ARG 25 0.725 -8.021 4.808
156 HE ARG 25 HE ARG 25 -1.470 -8.707 4.621
157 HH11 ARG 25 1HH1 ARG 25 0.679 -11.315 3.783
158 HH12 ARG 25 2HH1 ARG 25 -0.569 -12.517 3.787
159 HH21 ARG 25 1HH2 ARG 25 -3.121 -10.280 4.629
160 HH22 ARG 25 2HH2 ARG 25 -2.730 -11.927 4.267
161 H SER 26 H SER 26 5.103 -8.294 1.594
162 HA SER 26 HA SER 26 6.441 -6.418 2.999
163 HB2 SER 26 1HB SER 26 7.515 -8.455 2.176
164 HB3 SER 26 2HB SER 26 7.475 -7.830 0.527
165 HG SER 26 HG SER 26 9.305 -7.409 2.434
166 H ASN 27 H ASN 27 6.054 -6.315 -0.544
167 HA ASN 27 HA ASN 27 7.308 -3.867 -0.977
168 HB2 ASN 27 1HB ASN 27 5.126 -5.307 -2.480
169 HB3 ASN 27 2HB ASN 27 5.794 -3.778 -3.045
170 HD21 ASN 27 1HD2 ASN 27 5.878 -6.360 -4.326
171 HD22 ASN 27 2HD2 ASN 27 7.547 -6.758 -4.529
172 H LEU 28 H LEU 28 3.914 -4.584 -0.256
173 HA LEU 28 HA LEU 28 2.926 -1.970 -0.513
174 HB2 LEU 28 1HB LEU 28 1.377 -3.751 -0.448
175 HB3 LEU 28 2HB LEU 28 2.010 -4.343 1.086
176 HG LEU 28 HG LEU 28 1.097 -2.306 2.183
177 HD11 LEU 28 1HD1 LEU 28 -0.335 -1.851 -0.426
178 HD12 LEU 28 2HD1 LEU 28 1.074 -0.929 0.096
179 HD13 LEU 28 3HD1 LEU 28 -0.417 -0.868 1.036
180 HD21 LEU 28 3HD2 LEU 28 -0.596 -3.653 2.665
181 HD22 LEU 28 1HD2 LEU 28 -0.287 -4.587 1.201
182 HD23 LEU 28 2HD2 LEU 28 -1.383 -3.206 1.151
183 H PHE 29 H PHE 29 4.072 -3.733 2.355
184 HA PHE 29 HA PHE 29 3.620 -1.776 4.265
185 HB2 PHE 29 1HB PHE 29 5.615 -4.000 4.031
186 HB3 PHE 29 2HB PHE 29 5.733 -2.863 5.370
187 HD1 PHE 29 HD1 PHE 29 3.723 -2.583 6.883
188 HD2 PHE 29 HD2 PHE 29 4.101 -5.773 4.091
189 HE1 PHE 29 HE1 PHE 29 2.024 -3.862 8.120
190 HE2 PHE 29 HE2 PHE 29 2.403 -7.057 5.324
191 HZ PHE 29 HZ PHE 29 1.361 -6.102 7.341
192 H THR 30 H THR 30 6.438 -2.243 2.169
193 HA THR 30 HA THR 30 8.046 -0.209 3.233
194 HB THR 30 HB THR 30 7.967 -1.201 0.376
195 HG1 THR 30 HG1 THR 30 9.401 -2.732 1.051
196 HG21 THR 30 3HG2 THR 30 10.431 -0.160 1.677
197 HG22 THR 30 1HG2 THR 30 9.232 1.009 1.125
198 HG23 THR 30 2HG2 THR 30 9.949 -0.126 -0.018
199 H HIS 31 H HIS 31 5.527 -0.136 0.767
200 HA HIS 31 HA HIS 31 5.987 2.551 -0.043
201 HB2 HIS 31 1HB HIS 31 4.800 1.372 -1.638
202 HB3 HIS 31 2HB HIS 31 3.801 0.552 -0.442
203 HD1 HIS 31 HD1 HIS 31 4.105 3.825 -2.271
204 HD2 HIS 31 HD2 HIS 31 1.421 1.813 0.180
205 HE1 HIS 31 HE1 HIS 31 1.978 5.165 -2.360
206 H GLN 32 H GLN 32 3.630 1.052 2.156
207 HA GLN 32 HA GLN 32 2.097 3.185 2.870
208 HB2 GLN 32 1HB GLN 32 3.107 0.828 4.404
209 HB3 GLN 32 2HB GLN 32 2.228 2.085 5.264
210 HG2 GLN 32 1HG GLN 32 0.496 1.749 3.318
211 HG3 GLN 32 2HG GLN 32 1.273 0.171 3.203
212 HE21 GLN 32 1HE2 GLN 32 -1.429 0.673 3.933
213 HE22 GLN 32 2HE2 GLN 32 -1.645 0.103 5.550
214 H LYS 33 H LYS 33 5.452 2.762 3.479
215 HA LYS 33 HA LYS 33 5.955 4.228 5.737
216 HB2 LYS 33 1HB LYS 33 7.454 3.935 3.156
217 HB3 LYS 33 2HB LYS 33 8.063 5.008 4.409
218 HG2 LYS 33 1HG LYS 33 7.950 3.044 5.983
219 HG3 LYS 33 2HG LYS 33 7.638 2.037 4.568
220 HD2 LYS 33 1HD LYS 33 9.778 3.187 3.622
221 HD3 LYS 33 2HD LYS 33 10.110 3.544 5.319
222 HE2 LYS 33 1HE LYS 33 9.389 0.765 4.487
223 HE3 LYS 33 2HE LYS 33 11.031 1.357 4.240
224 HZ1 LYS 33 3HZ LYS 33 11.475 1.046 6.374
225 HZ2 LYS 33 1HZ LYS 33 9.960 0.318 6.564
226 HZ3 LYS 33 2HZ LYS 33 10.144 1.973 6.856
227 H ILE 34 H ILE 34 5.481 5.486 2.448
228 HA ILE 34 HA ILE 34 5.896 8.188 2.990
229 HB ILE 34 HB ILE 34 4.680 8.680 0.972
230 HG12 ILE 34 1HG1 ILE 34 3.791 5.824 0.728
231 HG13 ILE 34 2HG1 ILE 34 2.819 6.975 1.639
232 HG21 ILE 34 1HG2 ILE 34 6.606 6.481 1.096
233 HG22 ILE 34 2HG2 ILE 34 5.669 6.539 -0.396
234 HG23 ILE 34 3HG2 ILE 34 6.612 7.941 0.108
235 HD11 ILE 34 3HD1 ILE 34 2.781 6.508 -1.109
236 HD12 ILE 34 1HD1 ILE 34 1.946 7.783 -0.223
237 HD13 ILE 34 2HD1 ILE 34 3.545 8.084 -0.904
238 H HIS 35 H HIS 35 3.236 6.134 3.782
239 HA HIS 35 HA HIS 35 1.480 8.390 4.371
240 HB2 HIS 35 1HB HIS 35 1.040 5.402 4.516
241 HB3 HIS 35 2HB HIS 35 -0.174 6.599 4.956
242 HD1 HIS 35 HD1 HIS 35 -0.638 8.389 2.850
243 HD2 HIS 35 HD2 HIS 35 0.804 4.598 1.953
244 HE1 HIS 35 HE1 HIS 35 -1.179 8.021 0.422
245 H THR 36 H THR 36 3.927 8.008 5.891
246 HA THR 36 HA THR 36 2.918 8.432 8.490
247 HB THR 36 HB THR 36 2.615 5.966 8.415
248 HG1 THR 36 HG1 THR 36 3.376 5.737 10.455
249 HG21 THR 36 3HG2 THR 36 4.649 4.548 8.517
250 HG22 THR 36 1HG2 THR 36 5.621 5.964 8.118
251 HG23 THR 36 2HG2 THR 36 4.444 5.347 6.958
252 H GLY 37 H GLY 37 4.394 9.502 9.700
253 HA2 GLY 37 1HA GLY 37 7.205 9.110 9.489
254 HA3 GLY 37 2HA GLY 37 6.709 10.534 8.586
255 H GLU 38 H GLU 38 5.588 9.200 11.689
256 HA GLU 38 HA GLU 38 6.314 11.772 12.930
257 HB2 GLU 38 1HB GLU 38 3.923 9.997 13.381
258 HB3 GLU 38 2HB GLU 38 4.419 11.206 14.557
259 HG2 GLU 38 1HG GLU 38 4.293 12.869 12.615
260 HG3 GLU 38 2HG GLU 38 3.389 11.610 11.776
261 H LYS 39 H LYS 39 8.091 11.447 14.102
262 HA LYS 39 HA LYS 39 8.236 9.021 15.770
263 HB2 LYS 39 1HB LYS 39 9.978 9.479 13.872
264 HB3 LYS 39 2HB LYS 39 10.657 10.622 15.022
265 HG2 LYS 39 1HG LYS 39 10.111 7.840 15.924
266 HG3 LYS 39 2HG LYS 39 11.514 8.150 14.899
267 HD2 LYS 39 1HD LYS 39 12.004 10.057 16.596
268 HD3 LYS 39 2HD LYS 39 10.921 9.152 17.657
269 HE2 LYS 39 1HE LYS 39 12.329 7.285 17.689
270 HE3 LYS 39 2HE LYS 39 13.212 7.814 16.258
271 HZ1 LYS 39 3HZ LYS 39 13.597 9.828 18.049
272 HZ2 LYS 39 1HZ LYS 39 14.705 8.603 17.684
273 HZ3 LYS 39 2HZ LYS 39 13.672 8.439 19.012
274 HA PRO 40 HA PRO 40 7.865 12.620 18.648
275 HB2 PRO 40 1HB PRO 40 6.238 11.332 20.399
276 HB3 PRO 40 2HB PRO 40 5.633 12.181 18.972
277 HG2 PRO 40 1HG PRO 40 6.130 9.256 19.366
278 HG3 PRO 40 2HG PRO 40 4.758 10.062 18.584
279 HD2 PRO 40 1HD PRO 40 6.788 8.949 17.178
280 HD3 PRO 40 2HD PRO 40 5.909 10.384 16.612
281 H SER 41 H SER 41 9.233 9.569 18.664
282 HA SER 41 HA SER 41 9.998 9.532 21.457
283 HB2 SER 41 1HB SER 41 10.370 7.716 19.116
284 HB3 SER 41 2HB SER 41 11.505 7.584 20.460
285 HG SER 41 HG SER 41 9.944 6.303 21.150
286 H GLY 42 H GLY 42 10.819 11.884 20.259
287 HA2 GLY 42 1HA GLY 42 12.863 13.034 20.760
288 HA3 GLY 42 2HA GLY 42 13.740 11.557 20.389
289 HA PRO 43 HA PRO 43 12.395 13.380 16.118
290 HB2 PRO 43 1HB PRO 43 11.238 15.836 16.146
291 HB3 PRO 43 2HB PRO 43 10.310 14.336 16.254
292 HG2 PRO 43 1HG PRO 43 11.161 16.198 18.437
293 HG3 PRO 43 2HG PRO 43 9.599 15.394 18.199
294 HD2 PRO 43 1HD PRO 43 11.453 14.486 19.951
295 HD3 PRO 43 2HD PRO 43 10.348 13.401 19.082
296 H SER 44 H SER 44 13.970 14.938 18.664
297 HA SER 44 HA SER 44 15.516 16.620 16.803
298 HB2 SER 44 1HB SER 44 14.838 16.955 19.715
299 HB3 SER 44 2HB SER 44 16.228 17.780 19.010
300 HG SER 44 HG SER 44 14.864 18.848 17.611
301 H SER 45 H SER 45 17.829 16.879 17.358
302 HA SER 45 HA SER 45 19.278 14.608 17.245
303 HB2 SER 45 1HB SER 45 20.285 16.820 16.985
304 HB3 SER 45 2HB SER 45 20.091 17.131 18.710
305 HG SER 45 HG SER 45 21.384 14.959 18.735
306 H GLY 46 H GLY 46 19.095 12.848 18.476
307 HA2 GLY 46 1HA GLY 46 19.208 11.489 20.325
308 HA3 GLY 46 2HA GLY 46 19.960 12.835 21.169
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -21.008 6.314 -16.127
2 HA2 GLY 1 1HA GLY 1 -21.379 3.413 -15.715
3 HA3 GLY 1 2HA GLY 1 -20.078 4.118 -16.662
4 H SER 2 H SER 2 -21.356 4.794 -13.406
5 HA SER 2 HA SER 2 -18.658 4.265 -12.348
6 HB2 SER 2 1HB SER 2 -19.552 6.757 -12.517
7 HB3 SER 2 2HB SER 2 -20.393 6.312 -11.032
8 HG SER 2 HG SER 2 -17.644 5.784 -11.326
9 H SER 3 H SER 3 -18.579 3.612 -10.112
10 HA SER 3 HA SER 3 -19.186 2.073 -8.528
11 HB2 SER 3 1HB SER 3 -21.095 2.752 -7.179
12 HB3 SER 3 2HB SER 3 -20.196 4.183 -7.685
13 HG SER 3 HG SER 3 -21.812 4.777 -8.946
14 H GLY 4 H GLY 4 -19.624 1.055 -11.058
15 HA2 GLY 4 1HA GLY 4 -22.064 -0.548 -10.611
16 HA3 GLY 4 2HA GLY 4 -21.646 0.054 -12.209
17 H SER 5 H SER 5 -20.290 -1.100 -13.466
18 HA SER 5 HA SER 5 -19.789 -3.786 -12.901
19 HB2 SER 5 1HB SER 5 -18.823 -1.867 -14.979
20 HB3 SER 5 2HB SER 5 -18.017 -3.429 -14.836
21 HG SER 5 HG SER 5 -20.000 -4.438 -15.187
22 H SER 6 H SER 6 -17.432 -4.689 -13.170
23 HA SER 6 HA SER 6 -15.611 -3.186 -11.418
24 HB2 SER 6 1HB SER 6 -15.147 -5.078 -10.073
25 HB3 SER 6 2HB SER 6 -16.904 -5.049 -10.226
26 HG SER 6 HG SER 6 -15.040 -6.755 -11.474
27 H GLY 7 H GLY 7 -13.353 -3.940 -11.541
28 HA2 GLY 7 1HA GLY 7 -12.356 -5.729 -13.418
29 HA3 GLY 7 2HA GLY 7 -12.520 -4.186 -14.242
30 H THR 8 H THR 8 -11.585 -2.288 -12.906
31 HA THR 8 HA THR 8 -8.869 -2.447 -12.804
32 HB THR 8 HB THR 8 -9.846 -0.289 -12.692
33 HG1 THR 8 HG1 THR 8 -8.355 0.462 -11.382
34 HG21 THR 8 3HG2 THR 8 -11.921 -0.576 -11.655
35 HG22 THR 8 1HG2 THR 8 -11.017 0.404 -10.501
36 HG23 THR 8 2HG2 THR 8 -11.209 -1.327 -10.227
37 H GLY 9 H GLY 9 -7.408 -3.414 -11.554
38 HA2 GLY 9 1HA GLY 9 -6.631 -3.707 -9.213
39 HA3 GLY 9 2HA GLY 9 -8.256 -4.275 -8.855
40 H GLU 10 H GLU 10 -5.173 -5.070 -10.240
41 HA GLU 10 HA GLU 10 -6.082 -7.806 -10.793
42 HB2 GLU 10 1HB GLU 10 -3.492 -6.448 -11.561
43 HB3 GLU 10 2HB GLU 10 -3.985 -8.067 -12.036
44 HG2 GLU 10 1HG GLU 10 -5.299 -5.479 -12.827
45 HG3 GLU 10 2HG GLU 10 -4.342 -6.542 -13.857
46 H LYS 11 H LYS 11 -3.763 -5.940 -8.919
47 HA LYS 11 HA LYS 11 -2.500 -8.254 -7.773
48 HB2 LYS 11 1HB LYS 11 -2.264 -5.304 -7.468
49 HB3 LYS 11 2HB LYS 11 -1.714 -6.300 -6.127
50 HG2 LYS 11 1HG LYS 11 0.150 -5.825 -7.541
51 HG3 LYS 11 2HG LYS 11 -0.256 -7.534 -7.709
52 HD2 LYS 11 1HD LYS 11 0.079 -6.859 -9.908
53 HD3 LYS 11 2HD LYS 11 -1.674 -6.757 -9.728
54 HE2 LYS 11 1HE LYS 11 -1.677 -4.463 -9.737
55 HE3 LYS 11 2HE LYS 11 -0.033 -4.351 -9.110
56 HZ1 LYS 11 3HZ LYS 11 0.757 -5.149 -11.291
57 HZ2 LYS 11 1HZ LYS 11 -0.052 -3.666 -11.387
58 HZ3 LYS 11 2HZ LYS 11 -0.831 -5.087 -11.873
59 HA PRO 12 HA PRO 12 -5.344 -9.033 -4.504
60 HB2 PRO 12 1HB PRO 12 -3.672 -10.275 -2.763
61 HB3 PRO 12 2HB PRO 12 -4.261 -11.042 -4.242
62 HG2 PRO 12 1HG PRO 12 -1.634 -9.707 -3.717
63 HG3 PRO 12 2HG PRO 12 -1.967 -11.221 -4.578
64 HD2 PRO 12 1HD PRO 12 -1.481 -8.890 -5.866
65 HD3 PRO 12 2HD PRO 12 -2.568 -10.133 -6.518
66 H TYR 13 H TYR 13 -2.228 -7.552 -3.700
67 HA TYR 13 HA TYR 13 -3.329 -6.426 -1.248
68 HB2 TYR 13 1HB TYR 13 -0.551 -6.076 -2.383
69 HB3 TYR 13 2HB TYR 13 -1.079 -5.730 -0.740
70 HD1 TYR 13 HD1 TYR 13 -1.444 -7.531 0.856
71 HD2 TYR 13 HD2 TYR 13 -0.136 -8.354 -3.108
72 HE1 TYR 13 HE1 TYR 13 -0.822 -9.810 1.541
73 HE2 TYR 13 HE2 TYR 13 0.489 -10.636 -2.434
74 HH TYR 13 HH TYR 13 0.119 -11.726 0.925
75 H ARG 14 H ARG 14 -3.774 -4.302 -0.924
76 HA ARG 14 HA ARG 14 -3.099 -2.359 -2.995
77 HB2 ARG 14 1HB ARG 14 -5.271 -3.155 -3.706
78 HB3 ARG 14 2HB ARG 14 -5.922 -2.937 -2.087
79 HG2 ARG 14 1HG ARG 14 -4.769 -0.566 -3.447
80 HG3 ARG 14 2HG ARG 14 -6.327 -1.175 -4.010
81 HD2 ARG 14 1HD ARG 14 -5.663 -0.437 -1.162
82 HD3 ARG 14 2HD ARG 14 -6.565 0.571 -2.292
83 HE ARG 14 HE ARG 14 -7.569 -1.629 -0.785
84 HH11 ARG 14 1HH1 ARG 14 -7.901 0.080 -3.800
85 HH12 ARG 14 2HH1 ARG 14 -9.556 -0.378 -4.028
86 HH21 ARG 14 1HH2 ARG 14 -9.749 -2.237 -1.073
87 HH22 ARG 14 2HH2 ARG 14 -10.607 -1.695 -2.475
88 H CYS 15 H CYS 15 -2.920 -0.266 -2.258
89 HA CYS 15 HA CYS 15 -2.570 0.047 0.570
90 HB2 CYS 15 1HB CYS 15 -1.192 1.140 -1.298
91 HB3 CYS 15 2HB CYS 15 -2.529 2.274 -1.460
92 H ALA 16 H ALA 16 -4.029 0.689 2.004
93 HA ALA 16 HA ALA 16 -6.634 1.594 1.095
94 HB1 ALA 16 3HB ALA 16 -6.134 -0.122 2.975
95 HB2 ALA 16 1HB ALA 16 -5.882 1.309 3.974
96 HB3 ALA 16 2HB ALA 16 -7.440 1.043 3.191
97 H GLU 17 H GLU 17 -4.106 3.285 1.026
98 HA GLU 17 HA GLU 17 -5.160 5.569 2.562
99 HB2 GLU 17 1HB GLU 17 -2.311 4.841 1.885
100 HB3 GLU 17 2HB GLU 17 -2.778 6.427 2.481
101 HG2 GLU 17 1HG GLU 17 -3.512 3.964 4.003
102 HG3 GLU 17 2HG GLU 17 -1.896 4.655 4.136
103 H CYS 18 H CYS 18 -3.331 4.691 -0.361
104 HA CYS 18 HA CYS 18 -4.302 7.163 -1.628
105 HB2 CYS 18 1HB CYS 18 -2.461 6.740 -3.291
106 HB3 CYS 18 2HB CYS 18 -1.910 7.078 -1.653
107 H GLY 19 H GLY 19 -3.691 3.722 -2.327
108 HA2 GLY 19 1HA GLY 19 -5.623 2.484 -3.267
109 HA3 GLY 19 2HA GLY 19 -5.865 3.867 -4.325
110 H LYS 20 H LYS 20 -2.865 2.188 -3.450
111 HA LYS 20 HA LYS 20 -2.378 1.759 -6.315
112 HB2 LYS 20 1HB LYS 20 -0.753 3.050 -4.738
113 HB3 LYS 20 2HB LYS 20 -0.287 1.446 -4.186
114 HG2 LYS 20 1HG LYS 20 0.298 0.839 -6.492
115 HG3 LYS 20 2HG LYS 20 -0.125 2.471 -7.014
116 HD2 LYS 20 1HD LYS 20 1.654 3.428 -5.790
117 HD3 LYS 20 2HD LYS 20 1.927 1.941 -4.878
118 HE2 LYS 20 1HE LYS 20 2.355 0.954 -7.286
119 HE3 LYS 20 2HE LYS 20 2.705 2.639 -7.667
120 HZ1 LYS 20 3HZ LYS 20 4.749 1.804 -7.040
121 HZ2 LYS 20 1HZ LYS 20 4.110 0.834 -5.810
122 HZ3 LYS 20 2HZ LYS 20 4.206 2.509 -5.602
123 H ALA 21 H ALA 21 -1.257 -0.245 -6.933
124 HA ALA 21 HA ALA 21 -2.295 -2.514 -5.382
125 HB1 ALA 21 3HB ALA 21 -2.941 -3.372 -7.322
126 HB2 ALA 21 1HB ALA 21 -2.374 -1.909 -8.128
127 HB3 ALA 21 2HB ALA 21 -1.293 -3.291 -7.946
128 H PHE 22 H PHE 22 -0.985 -4.386 -5.076
129 HA PHE 22 HA PHE 22 1.873 -4.127 -5.574
130 HB2 PHE 22 1HB PHE 22 0.709 -4.458 -2.802
131 HB3 PHE 22 2HB PHE 22 2.411 -4.665 -3.200
132 HD1 PHE 22 HD2 PHE 22 -0.341 -2.231 -2.976
133 HD2 PHE 22 HD1 PHE 22 3.845 -2.800 -3.498
134 HE1 PHE 22 HE2 PHE 22 0.025 0.179 -2.639
135 HE2 PHE 22 HE1 PHE 22 4.218 -0.391 -3.161
136 HZ PHE 22 HZ PHE 22 2.306 1.102 -2.732
137 H THR 23 H THR 23 2.961 -6.076 -5.664
138 HA THR 23 HA THR 23 1.353 -8.379 -6.193
139 HB THR 23 HB THR 23 3.472 -9.538 -6.626
140 HG1 THR 23 HG1 THR 23 5.421 -8.522 -6.226
141 HG21 THR 23 3HG2 THR 23 2.490 -7.268 -7.983
142 HG22 THR 23 1HG2 THR 23 3.458 -8.586 -8.641
143 HG23 THR 23 2HG2 THR 23 4.249 -7.147 -7.999
144 H ASP 24 H ASP 24 3.623 -7.467 -3.629
145 HA ASP 24 HA ASP 24 2.538 -9.673 -2.006
146 HB2 ASP 24 1HB ASP 24 5.036 -9.762 -2.884
147 HB3 ASP 24 2HB ASP 24 5.313 -8.685 -1.518
148 H ARG 25 H ARG 25 2.468 -9.302 0.280
149 HA ARG 25 HA ARG 25 1.512 -6.757 0.983
150 HB2 ARG 25 1HB ARG 25 1.708 -7.649 3.356
151 HB3 ARG 25 2HB ARG 25 0.720 -8.591 2.247
152 HG2 ARG 25 1HG ARG 25 2.475 -10.205 1.966
153 HG3 ARG 25 2HG ARG 25 3.584 -9.221 2.922
154 HD2 ARG 25 1HD ARG 25 2.120 -9.497 4.875
155 HD3 ARG 25 2HD ARG 25 1.042 -10.507 3.913
156 HE ARG 25 HE ARG 25 3.595 -11.259 5.038
157 HH11 ARG 25 1HH1 ARG 25 1.121 -11.991 2.700
158 HH12 ARG 25 2HH1 ARG 25 1.560 -13.662 2.565
159 HH21 ARG 25 1HH2 ARG 25 4.182 -13.456 4.869
160 HH22 ARG 25 2HH2 ARG 25 3.301 -14.494 3.800
161 H SER 26 H SER 26 4.678 -8.240 1.279
162 HA SER 26 HA SER 26 5.877 -6.473 3.066
163 HB2 SER 26 1HB SER 26 7.036 -8.478 2.445
164 HB3 SER 26 2HB SER 26 7.043 -8.017 0.742
165 HG SER 26 HG SER 26 9.009 -7.420 1.401
166 H ASN 27 H ASN 27 5.781 -6.323 -0.490
167 HA ASN 27 HA ASN 27 7.197 -3.937 -0.792
168 HB2 ASN 27 1HB ASN 27 4.979 -5.042 -2.530
169 HB3 ASN 27 2HB ASN 27 6.118 -3.787 -3.008
170 HD21 ASN 27 1HD2 ASN 27 6.771 -5.111 -4.744
171 HD22 ASN 27 2HD2 ASN 27 7.843 -6.443 -4.494
172 H LEU 28 H LEU 28 3.806 -4.527 -0.095
173 HA LEU 28 HA LEU 28 2.895 -1.880 -0.512
174 HB2 LEU 28 1HB LEU 28 1.302 -3.639 -0.483
175 HB3 LEU 28 2HB LEU 28 1.825 -4.174 1.112
176 HG LEU 28 HG LEU 28 0.894 -2.103 2.080
177 HD11 LEU 28 1HD1 LEU 28 1.040 -0.590 0.245
178 HD12 LEU 28 2HD1 LEU 28 -0.666 -0.780 0.646
179 HD13 LEU 28 3HD1 LEU 28 0.008 -1.612 -0.755
180 HD21 LEU 28 3HD2 LEU 28 -0.432 -4.162 2.003
181 HD22 LEU 28 1HD2 LEU 28 -1.071 -3.688 0.429
182 HD23 LEU 28 2HD2 LEU 28 -1.447 -2.727 1.859
183 H PHE 29 H PHE 29 3.710 -3.636 2.481
184 HA PHE 29 HA PHE 29 3.297 -1.604 4.301
185 HB2 PHE 29 1HB PHE 29 5.369 -3.803 4.314
186 HB3 PHE 29 2HB PHE 29 5.045 -2.763 5.697
187 HD1 PHE 29 HD1 PHE 29 2.344 -2.582 6.132
188 HD2 PHE 29 HD2 PHE 29 4.439 -5.883 4.450
189 HE1 PHE 29 HE1 PHE 29 0.533 -4.089 6.842
190 HE2 PHE 29 HE2 PHE 29 2.632 -7.395 5.156
191 HZ PHE 29 HZ PHE 29 0.675 -6.499 6.353
192 H THR 30 H THR 30 6.222 -2.306 2.424
193 HA THR 30 HA THR 30 7.857 -0.317 3.536
194 HB THR 30 HB THR 30 7.958 -1.414 0.719
195 HG1 THR 30 HG1 THR 30 8.937 -2.354 3.202
196 HG21 THR 30 3HG2 THR 30 9.985 -0.429 0.451
197 HG22 THR 30 1HG2 THR 30 10.400 -0.568 2.158
198 HG23 THR 30 2HG2 THR 30 9.325 0.720 1.614
199 H HIS 31 H HIS 31 5.441 -0.201 1.001
200 HA HIS 31 HA HIS 31 6.149 2.401 0.053
201 HB2 HIS 31 1HB HIS 31 4.979 1.255 -1.565
202 HB3 HIS 31 2HB HIS 31 3.899 0.496 -0.399
203 HD1 HIS 31 HD1 HIS 31 4.422 3.765 -2.209
204 HD2 HIS 31 HD2 HIS 31 1.507 1.793 -0.000
205 HE1 HIS 31 HE1 HIS 31 2.340 5.155 -2.451
206 H GLN 32 H GLN 32 3.543 1.166 2.138
207 HA GLN 32 HA GLN 32 2.131 3.428 2.666
208 HB2 GLN 32 1HB GLN 32 2.870 1.086 4.372
209 HB3 GLN 32 2HB GLN 32 2.003 2.433 5.097
210 HG2 GLN 32 1HG GLN 32 0.944 1.288 2.573
211 HG3 GLN 32 2HG GLN 32 0.750 0.361 4.060
212 HE21 GLN 32 1HE2 GLN 32 -1.545 0.734 3.536
213 HE22 GLN 32 2HE2 GLN 32 -2.287 2.184 4.112
214 H LYS 33 H LYS 33 5.396 2.790 3.536
215 HA LYS 33 HA LYS 33 5.825 4.349 5.761
216 HB2 LYS 33 1HB LYS 33 7.558 3.898 3.334
217 HB3 LYS 33 2HB LYS 33 8.120 4.784 4.745
218 HG2 LYS 33 1HG LYS 33 7.701 2.800 6.135
219 HG3 LYS 33 2HG LYS 33 7.200 1.916 4.691
220 HD2 LYS 33 1HD LYS 33 9.374 2.016 3.762
221 HD3 LYS 33 2HD LYS 33 9.899 3.225 4.936
222 HE2 LYS 33 1HE LYS 33 9.067 0.425 5.674
223 HE3 LYS 33 2HE LYS 33 10.735 0.894 5.351
224 HZ1 LYS 33 3HZ LYS 33 10.847 2.145 7.252
225 HZ2 LYS 33 1HZ LYS 33 9.821 0.902 7.766
226 HZ3 LYS 33 2HZ LYS 33 9.177 2.405 7.332
227 H ILE 34 H ILE 34 5.505 5.380 2.400
228 HA ILE 34 HA ILE 34 6.211 8.081 2.782
229 HB ILE 34 HB ILE 34 5.178 8.526 0.650
230 HG12 ILE 34 1HG1 ILE 34 4.123 5.743 0.413
231 HG13 ILE 34 2HG1 ILE 34 3.183 6.912 1.335
232 HG21 ILE 34 1HG2 ILE 34 7.252 7.524 0.336
233 HG22 ILE 34 2HG2 ILE 34 6.687 5.951 0.896
234 HG23 ILE 34 3HG2 ILE 34 6.182 6.559 -0.681
235 HD11 ILE 34 3HD1 ILE 34 2.393 6.839 -0.929
236 HD12 ILE 34 1HD1 ILE 34 3.169 8.395 -0.634
237 HD13 ILE 34 2HD1 ILE 34 4.016 7.144 -1.545
238 H HIS 35 H HIS 35 3.316 6.314 3.463
239 HA HIS 35 HA HIS 35 1.619 8.637 3.632
240 HB2 HIS 35 1HB HIS 35 1.261 5.726 4.304
241 HB3 HIS 35 2HB HIS 35 0.048 6.922 4.750
242 HD1 HIS 35 HD1 HIS 35 -1.124 8.192 2.732
243 HD2 HIS 35 HD2 HIS 35 1.195 4.909 1.683
244 HE1 HIS 35 HE1 HIS 35 -1.803 7.613 0.380
245 H THR 36 H THR 36 2.218 6.186 6.136
246 HA THR 36 HA THR 36 1.561 7.672 8.331
247 HB THR 36 HB THR 36 2.017 5.353 8.629
248 HG1 THR 36 HG1 THR 36 2.962 5.579 10.541
249 HG21 THR 36 3HG2 THR 36 3.742 5.181 6.845
250 HG22 THR 36 1HG2 THR 36 4.185 4.340 8.330
251 HG23 THR 36 2HG2 THR 36 4.907 5.904 7.954
252 H GLY 37 H GLY 37 4.639 7.656 6.603
253 HA2 GLY 37 1HA GLY 37 6.582 8.869 6.975
254 HA3 GLY 37 2HA GLY 37 5.430 10.197 6.974
255 H GLU 38 H GLU 38 6.463 11.466 8.471
256 HA GLU 38 HA GLU 38 6.558 10.373 11.206
257 HB2 GLU 38 1HB GLU 38 8.438 12.434 10.041
258 HB3 GLU 38 2HB GLU 38 8.497 11.769 11.668
259 HG2 GLU 38 1HG GLU 38 9.396 9.794 10.984
260 HG3 GLU 38 2HG GLU 38 8.649 9.876 9.390
261 H LYS 39 H LYS 39 6.181 11.901 12.915
262 HA LYS 39 HA LYS 39 4.796 14.355 12.072
263 HB2 LYS 39 1HB LYS 39 3.106 13.958 13.837
264 HB3 LYS 39 2HB LYS 39 3.074 12.731 12.577
265 HG2 LYS 39 1HG LYS 39 2.937 11.388 14.399
266 HG3 LYS 39 2HG LYS 39 4.694 11.484 14.257
267 HD2 LYS 39 1HD LYS 39 4.359 13.595 15.803
268 HD3 LYS 39 2HD LYS 39 2.869 12.755 16.240
269 HE2 LYS 39 1HE LYS 39 5.497 11.318 16.253
270 HE3 LYS 39 2HE LYS 39 5.019 12.324 17.620
271 HZ1 LYS 39 3HZ LYS 39 4.100 10.396 18.297
272 HZ2 LYS 39 1HZ LYS 39 3.951 9.768 16.733
273 HZ3 LYS 39 2HZ LYS 39 2.819 10.886 17.307
274 HA PRO 40 HA PRO 40 7.333 16.329 15.079
275 HB2 PRO 40 1HB PRO 40 5.840 18.555 15.513
276 HB3 PRO 40 2HB PRO 40 6.778 18.300 14.037
277 HG2 PRO 40 1HG PRO 40 3.853 17.883 14.518
278 HG3 PRO 40 2HG PRO 40 4.663 18.619 13.123
279 HD2 PRO 40 1HD PRO 40 3.754 16.069 13.101
280 HD3 PRO 40 2HD PRO 40 5.193 16.577 12.194
281 H SER 41 H SER 41 7.570 16.192 17.232
282 HA SER 41 HA SER 41 5.222 15.463 18.825
283 HB2 SER 41 1HB SER 41 7.319 14.025 18.803
284 HB3 SER 41 2HB SER 41 8.113 15.326 19.690
285 HG SER 41 HG SER 41 6.767 13.406 20.741
286 H GLY 42 H GLY 42 4.480 17.710 18.819
287 HA2 GLY 42 1HA GLY 42 4.078 19.336 20.545
288 HA3 GLY 42 2HA GLY 42 5.771 19.214 20.997
289 HA PRO 43 HA PRO 43 5.332 23.079 18.532
290 HB2 PRO 43 1HB PRO 43 7.034 24.517 20.083
291 HB3 PRO 43 2HB PRO 43 5.317 24.333 20.457
292 HG2 PRO 43 1HG PRO 43 7.670 22.867 21.587
293 HG3 PRO 43 2HG PRO 43 6.251 23.520 22.426
294 HD2 PRO 43 1HD PRO 43 6.495 20.896 21.801
295 HD3 PRO 43 2HD PRO 43 4.926 21.726 21.845
296 H SER 44 H SER 44 7.718 20.814 19.148
297 HA SER 44 HA SER 44 9.868 22.223 17.799
298 HB2 SER 44 1HB SER 44 10.652 20.845 19.544
299 HB3 SER 44 2HB SER 44 9.617 19.500 19.065
300 HG SER 44 HG SER 44 10.960 19.029 17.423
301 H SER 45 H SER 45 10.530 21.909 15.738
302 HA SER 45 HA SER 45 8.972 20.009 14.110
303 HB2 SER 45 1HB SER 45 8.698 22.591 13.772
304 HB3 SER 45 2HB SER 45 10.243 22.459 12.932
305 HG SER 45 HG SER 45 8.814 22.088 11.357
306 H GLY 46 H GLY 46 11.261 19.139 15.376
307 HA2 GLY 46 1HA GLY 46 13.041 17.787 14.752
308 HA3 GLY 46 2HA GLY 46 12.856 18.360 13.100
Start of MODEL 5
1 H1 GLY 1 H GLY 1 0.048 12.951 -17.948
2 HA2 GLY 1 1HA GLY 1 -2.029 12.431 -19.488
3 HA3 GLY 1 2HA GLY 1 -0.753 11.778 -20.504
4 H SER 2 H SER 2 -3.026 10.971 -18.286
5 HA SER 2 HA SER 2 -1.462 8.811 -17.073
6 HB2 SER 2 1HB SER 2 -4.219 9.897 -16.467
7 HB3 SER 2 2HB SER 2 -3.539 8.474 -15.679
8 HG SER 2 HG SER 2 -1.681 10.150 -15.352
9 H SER 3 H SER 3 -1.359 7.020 -18.254
10 HA SER 3 HA SER 3 -3.846 5.983 -19.429
11 HB2 SER 3 1HB SER 3 -2.138 7.050 -21.091
12 HB3 SER 3 2HB SER 3 -1.218 5.569 -20.823
13 HG SER 3 HG SER 3 -3.520 5.969 -22.250
14 H GLY 4 H GLY 4 -4.102 3.759 -19.386
15 HA2 GLY 4 1HA GLY 4 -1.961 2.037 -18.496
16 HA3 GLY 4 2HA GLY 4 -3.209 2.298 -17.286
17 H SER 5 H SER 5 -4.116 0.305 -17.218
18 HA SER 5 HA SER 5 -5.263 -0.711 -19.737
19 HB2 SER 5 1HB SER 5 -4.904 -2.936 -19.032
20 HB3 SER 5 2HB SER 5 -3.416 -2.094 -18.601
21 HG SER 5 HG SER 5 -5.579 -2.678 -16.856
22 H SER 6 H SER 6 -7.301 -1.834 -19.563
23 HA SER 6 HA SER 6 -9.354 -0.523 -18.459
24 HB2 SER 6 1HB SER 6 -9.687 -2.453 -19.915
25 HB3 SER 6 2HB SER 6 -9.135 -3.539 -18.639
26 HG SER 6 HG SER 6 -10.996 -2.306 -17.463
27 H GLY 7 H GLY 7 -7.615 -3.149 -16.793
28 HA2 GLY 7 1HA GLY 7 -9.015 -2.525 -14.311
29 HA3 GLY 7 2HA GLY 7 -7.925 -3.876 -14.580
30 H THR 8 H THR 8 -8.258 -1.124 -12.886
31 HA THR 8 HA THR 8 -5.838 0.240 -13.117
32 HB THR 8 HB THR 8 -7.423 -0.171 -10.575
33 HG1 THR 8 HG1 THR 8 -8.371 0.815 -12.696
34 HG21 THR 8 3HG2 THR 8 -5.961 2.338 -11.165
35 HG22 THR 8 1HG2 THR 8 -4.990 0.932 -10.730
36 HG23 THR 8 2HG2 THR 8 -6.233 1.522 -9.626
37 H GLY 9 H GLY 9 -6.697 -2.303 -10.758
38 HA2 GLY 9 1HA GLY 9 -3.940 -3.258 -10.838
39 HA3 GLY 9 2HA GLY 9 -4.523 -2.669 -9.288
40 H GLU 10 H GLU 10 -4.094 -5.375 -11.117
41 HA GLU 10 HA GLU 10 -6.393 -6.801 -9.995
42 HB2 GLU 10 1HB GLU 10 -5.648 -6.969 -12.463
43 HB3 GLU 10 2HB GLU 10 -4.351 -7.988 -11.854
44 HG2 GLU 10 1HG GLU 10 -6.226 -9.344 -10.738
45 HG3 GLU 10 2HG GLU 10 -7.299 -8.492 -11.847
46 H LYS 11 H LYS 11 -4.092 -5.898 -8.392
47 HA LYS 11 HA LYS 11 -2.762 -8.397 -7.679
48 HB2 LYS 11 1HB LYS 11 -2.288 -5.511 -7.135
49 HB3 LYS 11 2HB LYS 11 -1.735 -6.661 -5.925
50 HG2 LYS 11 1HG LYS 11 0.132 -6.497 -7.221
51 HG3 LYS 11 2HG LYS 11 -0.674 -7.857 -8.007
52 HD2 LYS 11 1HD LYS 11 -1.304 -5.110 -8.959
53 HD3 LYS 11 2HD LYS 11 0.263 -5.801 -9.389
54 HE2 LYS 11 1HE LYS 11 -1.105 -7.862 -10.125
55 HE3 LYS 11 2HE LYS 11 -2.487 -6.768 -10.091
56 HZ1 LYS 11 3HZ LYS 11 -0.175 -5.757 -11.502
57 HZ2 LYS 11 1HZ LYS 11 -1.809 -5.727 -11.938
58 HZ3 LYS 11 2HZ LYS 11 -0.887 -7.118 -12.210
59 HA PRO 12 HA PRO 12 -5.277 -9.297 -4.195
60 HB2 PRO 12 1HB PRO 12 -3.457 -10.371 -2.491
61 HB3 PRO 12 2HB PRO 12 -4.030 -11.210 -3.937
62 HG2 PRO 12 1HG PRO 12 -1.502 -9.662 -3.522
63 HG3 PRO 12 2HG PRO 12 -1.741 -11.214 -4.346
64 HD2 PRO 12 1HD PRO 12 -1.483 -8.876 -5.687
65 HD3 PRO 12 2HD PRO 12 -2.488 -10.212 -6.283
66 H TYR 13 H TYR 13 -2.326 -7.456 -3.618
67 HA TYR 13 HA TYR 13 -3.451 -6.378 -1.137
68 HB2 TYR 13 1HB TYR 13 -0.680 -6.030 -2.299
69 HB3 TYR 13 2HB TYR 13 -1.214 -5.490 -0.711
70 HD1 TYR 13 HD1 TYR 13 -1.832 -7.205 1.016
71 HD2 TYR 13 HD2 TYR 13 0.051 -8.253 -2.652
72 HE1 TYR 13 HE1 TYR 13 -1.175 -9.371 1.979
73 HE2 TYR 13 HE2 TYR 13 0.712 -10.422 -1.700
74 HH TYR 13 HH TYR 13 1.090 -11.427 0.501
75 H ARG 14 H ARG 14 -3.581 -4.124 -0.773
76 HA ARG 14 HA ARG 14 -3.147 -2.296 -2.969
77 HB2 ARG 14 1HB ARG 14 -5.353 -3.208 -3.522
78 HB3 ARG 14 2HB ARG 14 -5.936 -2.794 -1.915
79 HG2 ARG 14 1HG ARG 14 -4.803 -0.618 -3.584
80 HG3 ARG 14 2HG ARG 14 -6.393 -1.256 -4.008
81 HD2 ARG 14 1HD ARG 14 -5.642 -0.304 -1.250
82 HD3 ARG 14 2HD ARG 14 -6.423 0.713 -2.460
83 HE ARG 14 HE ARG 14 -7.787 -1.767 -1.861
84 HH11 ARG 14 1HH1 ARG 14 -7.456 1.625 -1.150
85 HH12 ARG 14 2HH1 ARG 14 -9.041 1.768 -0.463
86 HH21 ARG 14 1HH2 ARG 14 -9.874 -1.591 -0.959
87 HH22 ARG 14 2HH2 ARG 14 -10.415 -0.062 -0.354
88 H CYS 15 H CYS 15 -3.054 -0.148 -2.326
89 HA CYS 15 HA CYS 15 -2.686 0.249 0.518
90 HB2 CYS 15 1HB CYS 15 -1.140 1.161 -1.280
91 HB3 CYS 15 2HB CYS 15 -2.411 2.318 -1.663
92 H ALA 16 H ALA 16 -4.349 0.747 1.774
93 HA ALA 16 HA ALA 16 -6.819 1.749 0.774
94 HB1 ALA 16 3HB ALA 16 -7.591 1.021 2.726
95 HB2 ALA 16 1HB ALA 16 -5.947 0.522 3.123
96 HB3 ALA 16 2HB ALA 16 -6.530 2.112 3.617
97 H GLU 17 H GLU 17 -3.917 3.267 1.409
98 HA GLU 17 HA GLU 17 -4.996 5.754 2.409
99 HB2 GLU 17 1HB GLU 17 -2.229 5.109 1.374
100 HB3 GLU 17 2HB GLU 17 -2.693 6.580 2.218
101 HG2 GLU 17 1HG GLU 17 -2.616 3.788 3.328
102 HG3 GLU 17 2HG GLU 17 -1.576 5.145 3.757
103 H CYS 18 H CYS 18 -3.151 4.917 -0.531
104 HA CYS 18 HA CYS 18 -4.429 7.177 -1.897
105 HB2 CYS 18 1HB CYS 18 -2.643 6.818 -3.616
106 HB3 CYS 18 2HB CYS 18 -2.029 7.231 -2.019
107 H GLY 19 H GLY 19 -3.656 3.738 -2.397
108 HA2 GLY 19 1HA GLY 19 -5.618 2.395 -3.183
109 HA3 GLY 19 2HA GLY 19 -5.837 3.653 -4.390
110 H LYS 20 H LYS 20 -2.627 2.689 -3.536
111 HA LYS 20 HA LYS 20 -2.088 1.875 -6.232
112 HB2 LYS 20 1HB LYS 20 -0.503 2.261 -3.745
113 HB3 LYS 20 2HB LYS 20 0.169 1.192 -4.969
114 HG2 LYS 20 1HG LYS 20 -0.059 3.021 -6.624
115 HG3 LYS 20 2HG LYS 20 -0.594 4.083 -5.320
116 HD2 LYS 20 1HD LYS 20 1.548 3.647 -4.150
117 HD3 LYS 20 2HD LYS 20 2.078 2.698 -5.541
118 HE2 LYS 20 1HE LYS 20 1.895 4.658 -6.969
119 HE3 LYS 20 2HE LYS 20 1.294 5.611 -5.613
120 HZ1 LYS 20 3HZ LYS 20 3.579 4.695 -4.605
121 HZ2 LYS 20 1HZ LYS 20 3.450 6.165 -5.432
122 HZ3 LYS 20 2HZ LYS 20 4.004 4.786 -6.240
123 H ALA 21 H ALA 21 -1.021 -0.191 -6.761
124 HA ALA 21 HA ALA 21 -2.240 -2.402 -5.244
125 HB1 ALA 21 3HB ALA 21 -3.178 -2.673 -7.299
126 HB2 ALA 21 1HB ALA 21 -1.815 -1.935 -8.142
127 HB3 ALA 21 2HB ALA 21 -1.695 -3.593 -7.552
128 H PHE 22 H PHE 22 -1.034 -4.276 -4.837
129 HA PHE 22 HA PHE 22 1.808 -4.253 -5.487
130 HB2 PHE 22 1HB PHE 22 0.737 -4.331 -2.661
131 HB3 PHE 22 2HB PHE 22 2.390 -4.751 -3.097
132 HD1 PHE 22 HD2 PHE 22 -0.081 -1.995 -3.140
133 HD2 PHE 22 HD1 PHE 22 4.024 -3.097 -3.354
134 HE1 PHE 22 HE2 PHE 22 0.560 0.374 -2.963
135 HE2 PHE 22 HE1 PHE 22 4.672 -0.730 -3.177
136 HZ PHE 22 HZ PHE 22 2.940 1.009 -2.983
137 H THR 23 H THR 23 2.621 -6.247 -5.823
138 HA THR 23 HA THR 23 0.823 -8.460 -5.937
139 HB THR 23 HB THR 23 2.760 -9.761 -6.706
140 HG1 THR 23 HG1 THR 23 4.688 -9.132 -6.129
141 HG21 THR 23 3HG2 THR 23 2.007 -8.804 -8.603
142 HG22 THR 23 1HG2 THR 23 3.481 -7.843 -8.492
143 HG23 THR 23 2HG2 THR 23 1.957 -7.192 -7.889
144 H ASP 24 H ASP 24 3.527 -7.565 -3.841
145 HA ASP 24 HA ASP 24 2.753 -9.765 -2.037
146 HB2 ASP 24 1HB ASP 24 5.490 -8.582 -2.539
147 HB3 ASP 24 2HB ASP 24 5.129 -9.703 -1.228
148 H ARG 25 H ARG 25 2.570 -9.332 0.140
149 HA ARG 25 HA ARG 25 1.730 -6.797 0.919
150 HB2 ARG 25 1HB ARG 25 1.142 -8.867 2.116
151 HB3 ARG 25 2HB ARG 25 2.803 -9.015 2.672
152 HG2 ARG 25 1HG ARG 25 1.791 -8.080 4.502
153 HG3 ARG 25 2HG ARG 25 2.387 -6.643 3.667
154 HD2 ARG 25 1HD ARG 25 0.264 -6.074 2.884
155 HD3 ARG 25 2HD ARG 25 -0.371 -7.696 3.153
156 HE ARG 25 HE ARG 25 0.433 -6.451 5.587
157 HH11 ARG 25 1HH1 ARG 25 -2.115 -6.582 3.219
158 HH12 ARG 25 2HH1 ARG 25 -3.350 -6.088 4.329
159 HH21 ARG 25 1HH2 ARG 25 -1.184 -5.800 7.058
160 HH22 ARG 25 2HH2 ARG 25 -2.819 -5.643 6.512
161 H SER 26 H SER 26 4.816 -8.420 1.660
162 HA SER 26 HA SER 26 6.101 -6.592 3.170
163 HB2 SER 26 1HB SER 26 8.186 -7.411 2.318
164 HB3 SER 26 2HB SER 26 7.049 -8.758 2.278
165 HG SER 26 HG SER 26 8.195 -8.616 0.327
166 H ASN 27 H ASN 27 5.683 -6.406 -0.340
167 HA ASN 27 HA ASN 27 7.211 -4.067 -0.731
168 HB2 ASN 27 1HB ASN 27 4.936 -5.233 -2.348
169 HB3 ASN 27 2HB ASN 27 5.944 -3.892 -2.885
170 HD21 ASN 27 1HD2 ASN 27 5.948 -5.870 -4.546
171 HD22 ASN 27 2HD2 ASN 27 7.373 -6.841 -4.437
172 H LEU 28 H LEU 28 3.696 -4.531 -0.399
173 HA LEU 28 HA LEU 28 2.853 -1.924 -0.637
174 HB2 LEU 28 1HB LEU 28 1.246 -3.659 -0.483
175 HB3 LEU 28 2HB LEU 28 1.837 -4.157 1.101
176 HG LEU 28 HG LEU 28 0.974 -2.036 2.044
177 HD11 LEU 28 1HD1 LEU 28 0.941 -0.521 0.274
178 HD12 LEU 28 2HD1 LEU 28 -0.763 -0.880 0.552
179 HD13 LEU 28 3HD1 LEU 28 0.090 -1.639 -0.792
180 HD21 LEU 28 3HD2 LEU 28 -0.327 -4.200 1.959
181 HD22 LEU 28 1HD2 LEU 28 -1.191 -3.523 0.579
182 HD23 LEU 28 2HD2 LEU 28 -1.283 -2.730 2.152
183 H PHE 29 H PHE 29 3.962 -3.572 2.310
184 HA PHE 29 HA PHE 29 3.568 -1.502 4.119
185 HB2 PHE 29 1HB PHE 29 5.449 -3.826 4.002
186 HB3 PHE 29 2HB PHE 29 5.670 -2.612 5.258
187 HD1 PHE 29 HD1 PHE 29 3.392 -1.963 6.497
188 HD2 PHE 29 HD2 PHE 29 4.169 -5.650 4.518
189 HE1 PHE 29 HE1 PHE 29 1.658 -3.056 7.859
190 HE2 PHE 29 HE2 PHE 29 2.436 -6.748 5.875
191 HZ PHE 29 HZ PHE 29 1.177 -5.451 7.548
192 H THR 30 H THR 30 6.391 -2.197 2.089
193 HA THR 30 HA THR 30 8.085 -0.196 3.029
194 HB THR 30 HB THR 30 7.893 -1.261 0.204
195 HG1 THR 30 HG1 THR 30 8.336 -2.964 1.545
196 HG21 THR 30 3HG2 THR 30 9.190 0.871 0.497
197 HG22 THR 30 1HG2 THR 30 10.133 -0.489 -0.109
198 HG23 THR 30 2HG2 THR 30 10.266 -0.009 1.582
199 H HIS 31 H HIS 31 5.420 -0.042 0.759
200 HA HIS 31 HA HIS 31 6.020 2.639 -0.101
201 HB2 HIS 31 1HB HIS 31 4.898 1.383 -1.731
202 HB3 HIS 31 2HB HIS 31 3.744 0.734 -0.570
203 HD1 HIS 31 HD1 HIS 31 4.550 3.959 -2.377
204 HD2 HIS 31 HD2 HIS 31 1.406 2.139 -0.360
205 HE1 HIS 31 HE1 HIS 31 2.563 5.459 -2.735
206 H GLN 32 H GLN 32 3.700 1.108 2.092
207 HA GLN 32 HA GLN 32 2.125 3.269 2.751
208 HB2 GLN 32 1HB GLN 32 3.085 0.969 4.448
209 HB3 GLN 32 2HB GLN 32 1.903 2.141 5.017
210 HG2 GLN 32 1HG GLN 32 0.507 1.536 3.013
211 HG3 GLN 32 2HG GLN 32 1.629 0.205 2.739
212 HE21 GLN 32 1HE2 GLN 32 -1.142 -0.048 3.257
213 HE22 GLN 32 2HE2 GLN 32 -1.323 -0.902 4.748
214 H LYS 33 H LYS 33 5.446 2.834 3.359
215 HA LYS 33 HA LYS 33 5.904 4.182 5.723
216 HB2 LYS 33 1HB LYS 33 7.489 4.018 3.171
217 HB3 LYS 33 2HB LYS 33 8.079 4.931 4.553
218 HG2 LYS 33 1HG LYS 33 7.652 2.725 5.858
219 HG3 LYS 33 2HG LYS 33 7.690 1.988 4.255
220 HD2 LYS 33 1HD LYS 33 9.868 3.821 5.219
221 HD3 LYS 33 2HD LYS 33 9.887 2.088 5.555
222 HE2 LYS 33 1HE LYS 33 9.795 1.624 3.155
223 HE3 LYS 33 2HE LYS 33 9.765 3.354 2.818
224 HZ1 LYS 33 3HZ LYS 33 11.963 2.468 4.479
225 HZ2 LYS 33 1HZ LYS 33 11.955 3.544 3.174
226 HZ3 LYS 33 2HZ LYS 33 11.991 1.876 2.895
227 H ILE 34 H ILE 34 5.501 5.543 2.470
228 HA ILE 34 HA ILE 34 5.922 8.234 3.189
229 HB ILE 34 HB ILE 34 4.922 8.827 1.077
230 HG12 ILE 34 1HG1 ILE 34 4.162 6.004 0.476
231 HG13 ILE 34 2HG1 ILE 34 3.078 6.960 1.480
232 HG21 ILE 34 1HG2 ILE 34 6.882 6.675 1.310
233 HG22 ILE 34 2HG2 ILE 34 6.106 6.763 -0.271
234 HG23 ILE 34 3HG2 ILE 34 6.945 8.172 0.380
235 HD11 ILE 34 3HD1 ILE 34 2.566 8.413 -0.228
236 HD12 ILE 34 1HD1 ILE 34 4.046 8.056 -1.118
237 HD13 ILE 34 2HD1 ILE 34 2.733 6.879 -1.083
238 H HIS 35 H HIS 35 3.387 6.143 3.933
239 HA HIS 35 HA HIS 35 1.441 8.311 4.239
240 HB2 HIS 35 1HB HIS 35 1.194 5.307 4.355
241 HB3 HIS 35 2HB HIS 35 -0.109 6.380 4.858
242 HD1 HIS 35 HD1 HIS 35 -0.488 8.340 2.766
243 HD2 HIS 35 HD2 HIS 35 0.746 4.484 1.834
244 HE1 HIS 35 HE1 HIS 35 -1.086 8.009 0.346
245 H THR 36 H THR 36 2.936 5.694 6.125
246 HA THR 36 HA THR 36 1.956 6.862 8.604
247 HB THR 36 HB THR 36 2.118 4.318 8.051
248 HG1 THR 36 HG1 THR 36 1.789 5.550 10.190
249 HG21 THR 36 3HG2 THR 36 4.524 4.405 7.450
250 HG22 THR 36 1HG2 THR 36 4.177 3.255 8.739
251 HG23 THR 36 2HG2 THR 36 4.896 4.819 9.123
252 H GLY 37 H GLY 37 3.094 8.243 9.796
253 HA2 GLY 37 1HA GLY 37 5.366 8.456 10.904
254 HA3 GLY 37 2HA GLY 37 5.988 8.472 9.261
255 H GLU 38 H GLU 38 6.891 10.541 10.260
256 HA GLU 38 HA GLU 38 5.058 12.732 9.573
257 HB2 GLU 38 1HB GLU 38 6.854 12.557 11.992
258 HB3 GLU 38 2HB GLU 38 6.164 14.069 11.417
259 HG2 GLU 38 1HG GLU 38 3.954 13.327 11.855
260 HG3 GLU 38 2HG GLU 38 4.500 11.678 12.154
261 H LYS 39 H LYS 39 5.903 14.260 8.281
262 HA LYS 39 HA LYS 39 8.761 14.031 7.618
263 HB2 LYS 39 1HB LYS 39 6.502 15.189 5.973
264 HB3 LYS 39 2HB LYS 39 8.181 15.063 5.464
265 HG2 LYS 39 1HG LYS 39 6.789 12.581 6.309
266 HG3 LYS 39 2HG LYS 39 6.372 13.286 4.746
267 HD2 LYS 39 1HD LYS 39 8.098 11.939 4.100
268 HD3 LYS 39 2HD LYS 39 9.008 13.396 4.505
269 HE2 LYS 39 1HE LYS 39 9.965 11.278 5.426
270 HE3 LYS 39 2HE LYS 39 9.617 12.513 6.635
271 HZ1 LYS 39 3HZ LYS 39 7.758 11.353 7.389
272 HZ2 LYS 39 1HZ LYS 39 8.916 10.143 7.149
273 HZ3 LYS 39 2HZ LYS 39 7.681 10.367 6.016
274 HA PRO 40 HA PRO 40 9.507 18.030 9.299
275 HB2 PRO 40 1HB PRO 40 11.719 18.697 7.873
276 HB3 PRO 40 2HB PRO 40 11.739 17.502 9.175
277 HG2 PRO 40 1HG PRO 40 11.609 17.076 6.215
278 HG3 PRO 40 2HG PRO 40 12.572 16.213 7.428
279 HD2 PRO 40 1HD PRO 40 10.267 15.214 6.419
280 HD3 PRO 40 2HD PRO 40 10.798 14.895 8.083
281 H SER 41 H SER 41 8.032 19.547 8.773
282 HA SER 41 HA SER 41 7.069 20.290 6.333
283 HB2 SER 41 1HB SER 41 6.282 21.098 8.597
284 HB3 SER 41 2HB SER 41 7.593 22.277 8.551
285 HG SER 41 HG SER 41 5.516 22.036 6.629
286 H GLY 42 H GLY 42 9.569 22.186 8.042
287 HA2 GLY 42 1HA GLY 42 11.276 22.377 5.784
288 HA3 GLY 42 2HA GLY 42 10.273 23.816 5.902
289 HA PRO 43 HA PRO 43 14.006 23.727 8.951
290 HB2 PRO 43 1HB PRO 43 15.984 24.771 7.413
291 HB3 PRO 43 2HB PRO 43 15.710 23.033 7.575
292 HG2 PRO 43 1HG PRO 43 14.869 24.885 5.380
293 HG3 PRO 43 2HG PRO 43 15.553 23.253 5.266
294 HD2 PRO 43 1HD PRO 43 12.903 23.744 5.004
295 HD3 PRO 43 2HD PRO 43 13.530 22.239 5.706
296 H SER 44 H SER 44 12.209 25.781 7.057
297 HA SER 44 HA SER 44 13.250 28.153 8.465
298 HB2 SER 44 1HB SER 44 12.747 29.523 6.586
299 HB3 SER 44 2HB SER 44 13.585 28.112 5.940
300 HG SER 44 HG SER 44 11.367 28.977 5.069
301 H SER 45 H SER 45 11.443 29.959 8.360
302 HA SER 45 HA SER 45 8.764 28.905 8.703
303 HB2 SER 45 1HB SER 45 10.335 30.099 10.993
304 HB3 SER 45 2HB SER 45 8.576 29.962 10.997
305 HG SER 45 HG SER 45 9.640 28.181 12.017
306 H GLY 46 H GLY 46 7.561 30.269 7.567
307 HA2 GLY 46 1HA GLY 46 7.013 32.871 8.131
308 HA3 GLY 46 2HA GLY 46 8.412 32.978 7.073
Start of MODEL 6
1 H1 GLY 1 H GLY 1 -15.286 11.279 -21.110
2 HA2 GLY 1 1HA GLY 1 -12.831 11.830 -20.748
3 HA3 GLY 1 2HA GLY 1 -13.285 11.980 -19.057
4 H SER 2 H SER 2 -12.073 9.924 -21.386
5 HA SER 2 HA SER 2 -12.073 7.703 -19.549
6 HB2 SER 2 1HB SER 2 -13.144 6.100 -21.036
7 HB3 SER 2 2HB SER 2 -14.254 7.431 -20.709
8 HG SER 2 HG SER 2 -12.583 7.574 -22.954
9 H SER 3 H SER 3 -10.376 6.333 -19.888
10 HA SER 3 HA SER 3 -8.841 6.603 -22.370
11 HB2 SER 3 1HB SER 3 -6.728 6.697 -21.013
12 HB3 SER 3 2HB SER 3 -7.738 8.137 -20.875
13 HG SER 3 HG SER 3 -7.242 6.115 -18.996
14 H GLY 4 H GLY 4 -7.094 4.904 -22.504
15 HA2 GLY 4 1HA GLY 4 -8.274 2.349 -21.934
16 HA3 GLY 4 2HA GLY 4 -6.743 2.633 -22.749
17 H SER 5 H SER 5 -8.286 2.554 -19.566
18 HA SER 5 HA SER 5 -5.653 2.129 -18.339
19 HB2 SER 5 1HB SER 5 -6.820 2.580 -16.190
20 HB3 SER 5 2HB SER 5 -6.952 3.921 -17.328
21 HG SER 5 HG SER 5 -9.036 3.642 -17.395
22 H SER 6 H SER 6 -5.200 0.001 -18.572
23 HA SER 6 HA SER 6 -7.205 -1.922 -17.588
24 HB2 SER 6 1HB SER 6 -6.576 -2.163 -19.997
25 HB3 SER 6 2HB SER 6 -4.917 -2.479 -19.490
26 HG SER 6 HG SER 6 -6.140 -4.161 -18.096
27 H GLY 7 H GLY 7 -6.698 -3.202 -15.907
28 HA2 GLY 7 1HA GLY 7 -5.247 -4.457 -14.524
29 HA3 GLY 7 2HA GLY 7 -3.893 -3.518 -15.133
30 H THR 8 H THR 8 -6.965 -2.423 -13.737
31 HA THR 8 HA THR 8 -5.405 -1.023 -11.665
32 HB THR 8 HB THR 8 -6.584 0.487 -13.236
33 HG1 THR 8 HG1 THR 8 -7.191 1.803 -11.616
34 HG21 THR 8 3HG2 THR 8 -8.624 -0.057 -13.948
35 HG22 THR 8 1HG2 THR 8 -9.237 0.300 -12.333
36 HG23 THR 8 2HG2 THR 8 -8.747 -1.343 -12.747
37 H GLY 9 H GLY 9 -6.152 -3.700 -11.293
38 HA2 GLY 9 1HA GLY 9 -7.183 -3.746 -8.759
39 HA3 GLY 9 2HA GLY 9 -8.596 -3.861 -9.798
40 H GLU 10 H GLU 10 -5.333 -5.258 -10.072
41 HA GLU 10 HA GLU 10 -6.607 -7.912 -10.223
42 HB2 GLU 10 1HB GLU 10 -5.596 -7.225 -12.349
43 HB3 GLU 10 2HB GLU 10 -4.056 -6.964 -11.541
44 HG2 GLU 10 1HG GLU 10 -3.986 -9.360 -10.967
45 HG3 GLU 10 2HG GLU 10 -5.481 -9.594 -11.871
46 H LYS 11 H LYS 11 -4.000 -6.005 -8.886
47 HA LYS 11 HA LYS 11 -2.542 -8.109 -7.692
48 HB2 LYS 11 1HB LYS 11 -2.672 -5.153 -7.379
49 HB3 LYS 11 2HB LYS 11 -1.938 -6.071 -6.071
50 HG2 LYS 11 1HG LYS 11 -0.109 -5.609 -7.363
51 HG3 LYS 11 2HG LYS 11 -0.581 -7.183 -8.008
52 HD2 LYS 11 1HD LYS 11 -1.759 -4.752 -9.250
53 HD3 LYS 11 2HD LYS 11 -0.066 -5.120 -9.590
54 HE2 LYS 11 1HE LYS 11 -0.948 -7.503 -10.101
55 HE3 LYS 11 2HE LYS 11 -2.519 -6.714 -10.233
56 HZ1 LYS 11 3HZ LYS 11 -1.877 -5.545 -12.082
57 HZ2 LYS 11 1HZ LYS 11 -1.018 -6.984 -12.315
58 HZ3 LYS 11 2HZ LYS 11 -0.228 -5.616 -11.712
59 HA PRO 12 HA PRO 12 -5.111 -9.247 -4.304
60 HB2 PRO 12 1HB PRO 12 -3.217 -10.265 -2.647
61 HB3 PRO 12 2HB PRO 12 -3.770 -11.101 -4.103
62 HG2 PRO 12 1HG PRO 12 -1.313 -9.440 -3.688
63 HG3 PRO 12 2HG PRO 12 -1.489 -10.985 -4.542
64 HD2 PRO 12 1HD PRO 12 -1.364 -8.610 -5.837
65 HD3 PRO 12 2HD PRO 12 -2.312 -9.981 -6.448
66 H TYR 13 H TYR 13 -2.391 -7.103 -3.886
67 HA TYR 13 HA TYR 13 -3.534 -6.148 -1.346
68 HB2 TYR 13 1HB TYR 13 -0.722 -5.802 -2.408
69 HB3 TYR 13 2HB TYR 13 -1.315 -5.218 -0.857
70 HD1 TYR 13 HD1 TYR 13 -1.871 -6.824 0.940
71 HD2 TYR 13 HD2 TYR 13 -0.107 -8.093 -2.718
72 HE1 TYR 13 HE1 TYR 13 -1.252 -8.962 1.987
73 HE2 TYR 13 HE2 TYR 13 0.515 -10.235 -1.682
74 HH TYR 13 HH TYR 13 -0.643 -11.588 0.585
75 H ARG 14 H ARG 14 -3.470 -3.831 -0.957
76 HA ARG 14 HA ARG 14 -3.031 -2.017 -3.127
77 HB2 ARG 14 1HB ARG 14 -5.115 -2.678 -3.978
78 HB3 ARG 14 2HB ARG 14 -5.826 -2.820 -2.375
79 HG2 ARG 14 1HG ARG 14 -4.906 -0.144 -3.287
80 HG3 ARG 14 2HG ARG 14 -6.401 -0.804 -3.954
81 HD2 ARG 14 1HD ARG 14 -7.013 -1.267 -1.482
82 HD3 ARG 14 2HD ARG 14 -5.742 -0.101 -1.118
83 HE ARG 14 HE ARG 14 -7.260 1.212 -2.919
84 HH11 ARG 14 1HH1 ARG 14 -8.012 -0.489 0.024
85 HH12 ARG 14 2HH1 ARG 14 -9.381 0.503 0.402
86 HH21 ARG 14 1HH2 ARG 14 -9.060 2.525 -2.432
87 HH22 ARG 14 2HH2 ARG 14 -9.977 2.217 -0.997
88 H CYS 15 H CYS 15 -2.603 -0.030 -2.361
89 HA CYS 15 HA CYS 15 -2.456 0.400 0.437
90 HB2 CYS 15 1HB CYS 15 -1.038 1.431 -1.484
91 HB3 CYS 15 2HB CYS 15 -2.329 2.624 -1.577
92 H ALA 16 H ALA 16 -4.273 0.559 1.601
93 HA ALA 16 HA ALA 16 -6.733 1.558 0.671
94 HB1 ALA 16 3HB ALA 16 -7.264 0.405 2.505
95 HB2 ALA 16 1HB ALA 16 -5.646 0.581 3.185
96 HB3 ALA 16 2HB ALA 16 -6.840 1.860 3.407
97 H GLU 17 H GLU 17 -3.909 3.191 1.451
98 HA GLU 17 HA GLU 17 -5.152 5.590 2.478
99 HB2 GLU 17 1HB GLU 17 -2.321 4.928 1.667
100 HB3 GLU 17 2HB GLU 17 -2.810 6.524 2.220
101 HG2 GLU 17 1HG GLU 17 -1.836 5.320 4.046
102 HG3 GLU 17 2HG GLU 17 -3.561 5.524 4.344
103 H CYS 18 H CYS 18 -3.143 4.930 -0.399
104 HA CYS 18 HA CYS 18 -4.397 7.208 -1.740
105 HB2 CYS 18 1HB CYS 18 -2.594 6.852 -3.446
106 HB3 CYS 18 2HB CYS 18 -1.998 7.225 -1.832
107 H GLY 19 H GLY 19 -3.693 3.767 -2.308
108 HA2 GLY 19 1HA GLY 19 -5.611 2.445 -3.163
109 HA3 GLY 19 2HA GLY 19 -5.888 3.766 -4.289
110 H LYS 20 H LYS 20 -2.714 2.526 -3.453
111 HA LYS 20 HA LYS 20 -2.136 2.048 -6.234
112 HB2 LYS 20 1HB LYS 20 -0.596 2.060 -3.690
113 HB3 LYS 20 2HB LYS 20 0.052 1.105 -5.018
114 HG2 LYS 20 1HG LYS 20 -0.240 3.230 -6.425
115 HG3 LYS 20 2HG LYS 20 -0.402 4.061 -4.876
116 HD2 LYS 20 1HD LYS 20 1.782 3.696 -4.298
117 HD3 LYS 20 2HD LYS 20 1.895 2.207 -5.239
118 HE2 LYS 20 1HE LYS 20 3.196 3.651 -6.481
119 HE3 LYS 20 2HE LYS 20 1.632 3.796 -7.281
120 HZ1 LYS 20 3HZ LYS 20 2.647 5.958 -6.902
121 HZ2 LYS 20 1HZ LYS 20 2.702 5.667 -5.237
122 HZ3 LYS 20 2HZ LYS 20 1.211 5.810 -6.022
123 H ALA 21 H ALA 21 -0.667 -0.085 -6.523
124 HA ALA 21 HA ALA 21 -2.178 -2.362 -5.431
125 HB1 ALA 21 3HB ALA 21 -1.782 -3.400 -7.774
126 HB2 ALA 21 1HB ALA 21 -3.108 -2.259 -7.546
127 HB3 ALA 21 2HB ALA 21 -1.603 -1.725 -8.296
128 H PHE 22 H PHE 22 -0.977 -4.060 -4.785
129 HA PHE 22 HA PHE 22 1.833 -4.202 -5.613
130 HB2 PHE 22 1HB PHE 22 0.852 -4.329 -2.753
131 HB3 PHE 22 2HB PHE 22 2.496 -4.690 -3.269
132 HD1 PHE 22 HD2 PHE 22 -0.044 -2.008 -3.092
133 HD2 PHE 22 HD1 PHE 22 4.070 -2.981 -3.579
134 HE1 PHE 22 HE2 PHE 22 0.541 0.372 -2.871
135 HE2 PHE 22 HE1 PHE 22 4.663 -0.604 -3.358
136 HZ PHE 22 HZ PHE 22 2.897 1.077 -3.004
137 H THR 23 H THR 23 2.775 -6.280 -5.469
138 HA THR 23 HA THR 23 0.843 -8.423 -5.759
139 HB THR 23 HB THR 23 3.849 -8.598 -6.008
140 HG1 THR 23 HG1 THR 23 3.391 -7.257 -7.630
141 HG21 THR 23 3HG2 THR 23 1.850 -10.564 -6.024
142 HG22 THR 23 1HG2 THR 23 3.534 -10.747 -6.512
143 HG23 THR 23 2HG2 THR 23 2.308 -10.335 -7.711
144 H ASP 24 H ASP 24 3.620 -7.649 -3.691
145 HA ASP 24 HA ASP 24 2.716 -9.751 -1.833
146 HB2 ASP 24 1HB ASP 24 5.063 -9.877 -2.997
147 HB3 ASP 24 2HB ASP 24 5.512 -8.678 -1.788
148 H ARG 25 H ARG 25 2.667 -9.289 0.372
149 HA ARG 25 HA ARG 25 1.859 -6.730 1.113
150 HB2 ARG 25 1HB ARG 25 1.323 -8.790 2.374
151 HB3 ARG 25 2HB ARG 25 2.998 -8.884 2.903
152 HG2 ARG 25 1HG ARG 25 2.733 -6.718 4.043
153 HG3 ARG 25 2HG ARG 25 1.035 -6.698 3.561
154 HD2 ARG 25 1HD ARG 25 1.300 -7.492 5.856
155 HD3 ARG 25 2HD ARG 25 0.646 -8.753 4.812
156 HE ARG 25 HE ARG 25 3.372 -9.129 4.820
157 HH11 ARG 25 1HH1 ARG 25 0.822 -9.070 7.188
158 HH12 ARG 25 2HH1 ARG 25 1.606 -10.191 8.252
159 HH21 ARG 25 1HH2 ARG 25 4.415 -10.606 6.211
160 HH22 ARG 25 2HH2 ARG 25 3.650 -11.063 7.695
161 H SER 26 H SER 26 4.993 -8.331 1.616
162 HA SER 26 HA SER 26 6.335 -6.472 3.088
163 HB2 SER 26 1HB SER 26 7.335 -8.140 0.775
164 HB3 SER 26 2HB SER 26 8.404 -7.193 1.811
165 HG SER 26 HG SER 26 7.568 -9.611 2.255
166 H ASN 27 H ASN 27 5.955 -6.445 -0.448
167 HA ASN 27 HA ASN 27 7.410 -4.103 -0.941
168 HB2 ASN 27 1HB ASN 27 5.245 -5.557 -2.427
169 HB3 ASN 27 2HB ASN 27 5.823 -4.001 -3.013
170 HD21 ASN 27 1HD2 ASN 27 6.162 -7.190 -3.408
171 HD22 ASN 27 2HD2 ASN 27 7.795 -7.266 -3.966
172 H LEU 28 H LEU 28 3.966 -4.591 -0.265
173 HA LEU 28 HA LEU 28 3.153 -1.926 -0.620
174 HB2 LEU 28 1HB LEU 28 1.484 -3.590 -0.561
175 HB3 LEU 28 2HB LEU 28 2.045 -4.204 0.993
176 HG LEU 28 HG LEU 28 1.267 -2.044 2.015
177 HD11 LEU 28 1HD1 LEU 28 -0.414 -0.772 0.710
178 HD12 LEU 28 2HD1 LEU 28 0.056 -1.689 -0.721
179 HD13 LEU 28 3HD1 LEU 28 1.225 -0.634 0.074
180 HD21 LEU 28 3HD2 LEU 28 -0.231 -3.657 2.534
181 HD22 LEU 28 1HD2 LEU 28 -0.438 -4.161 0.856
182 HD23 LEU 28 2HD2 LEU 28 -1.264 -2.721 1.452
183 H PHE 29 H PHE 29 3.753 -3.673 2.435
184 HA PHE 29 HA PHE 29 3.479 -1.674 4.245
185 HB2 PHE 29 1HB PHE 29 5.296 -4.033 4.103
186 HB3 PHE 29 2HB PHE 29 5.586 -2.847 5.372
187 HD1 PHE 29 HD2 PHE 29 2.611 -4.527 3.861
188 HD2 PHE 29 HD1 PHE 29 4.686 -3.392 7.399
189 HE1 PHE 29 HE2 PHE 29 0.845 -5.562 5.225
190 HE2 PHE 29 HE1 PHE 29 2.924 -4.427 8.769
191 HZ PHE 29 HZ PHE 29 0.999 -5.513 7.683
192 H THR 30 H THR 30 6.337 -2.276 2.243
193 HA THR 30 HA THR 30 8.001 -0.309 3.337
194 HB THR 30 HB THR 30 7.940 -1.333 0.492
195 HG1 THR 30 HG1 THR 30 8.334 -2.779 2.463
196 HG21 THR 30 3HG2 THR 30 9.819 -0.175 0.047
197 HG22 THR 30 1HG2 THR 30 10.479 -0.434 1.661
198 HG23 THR 30 2HG2 THR 30 9.304 0.852 1.384
199 H HIS 31 H HIS 31 5.566 -0.135 0.790
200 HA HIS 31 HA HIS 31 6.159 2.571 0.076
201 HB2 HIS 31 1HB HIS 31 5.133 1.373 -1.646
202 HB3 HIS 31 2HB HIS 31 3.942 0.652 -0.567
203 HD1 HIS 31 HD1 HIS 31 4.663 3.782 -2.494
204 HD2 HIS 31 HD2 HIS 31 1.642 2.169 -0.142
205 HE1 HIS 31 HE1 HIS 31 2.676 5.288 -2.826
206 H GLN 32 H GLN 32 3.537 1.032 1.928
207 HA GLN 32 HA GLN 32 1.971 3.140 2.583
208 HB2 GLN 32 1HB GLN 32 2.888 0.855 4.321
209 HB3 GLN 32 2HB GLN 32 1.673 2.011 4.851
210 HG2 GLN 32 1HG GLN 32 0.278 1.399 2.925
211 HG3 GLN 32 2HG GLN 32 1.485 0.206 2.450
212 HE21 GLN 32 1HE2 GLN 32 -1.019 -0.650 2.838
213 HE22 GLN 32 2HE2 GLN 32 -1.143 -1.560 4.301
214 H LYS 33 H LYS 33 5.244 2.652 3.550
215 HA LYS 33 HA LYS 33 5.482 4.109 5.869
216 HB2 LYS 33 1HB LYS 33 7.351 3.948 3.503
217 HB3 LYS 33 2HB LYS 33 7.788 4.710 5.027
218 HG2 LYS 33 1HG LYS 33 7.496 2.610 6.196
219 HG3 LYS 33 2HG LYS 33 6.964 1.831 4.704
220 HD2 LYS 33 1HD LYS 33 9.104 2.007 3.731
221 HD3 LYS 33 2HD LYS 33 9.649 3.163 4.948
222 HE2 LYS 33 1HE LYS 33 9.460 1.384 6.658
223 HE3 LYS 33 2HE LYS 33 9.023 0.244 5.386
224 HZ1 LYS 33 3HZ LYS 33 11.616 1.407 6.027
225 HZ2 LYS 33 1HZ LYS 33 11.273 1.193 4.385
226 HZ3 LYS 33 2HZ LYS 33 11.235 -0.131 5.436
227 H ILE 34 H ILE 34 5.572 5.361 2.540
228 HA ILE 34 HA ILE 34 5.972 8.048 3.130
229 HB ILE 34 HB ILE 34 5.082 8.564 0.951
230 HG12 ILE 34 1HG1 ILE 34 4.208 5.750 0.475
231 HG13 ILE 34 2HG1 ILE 34 3.136 6.809 1.385
232 HG21 ILE 34 1HG2 ILE 34 6.933 6.352 1.383
233 HG22 ILE 34 2HG2 ILE 34 6.211 6.361 -0.225
234 HG23 ILE 34 3HG2 ILE 34 7.088 7.777 0.356
235 HD11 ILE 34 3HD1 ILE 34 3.352 6.583 -1.380
236 HD12 ILE 34 1HD1 ILE 34 2.437 7.785 -0.471
237 HD13 ILE 34 2HD1 ILE 34 4.091 8.133 -0.978
238 H HIS 35 H HIS 35 3.247 6.092 3.730
239 HA HIS 35 HA HIS 35 1.446 8.390 3.942
240 HB2 HIS 35 1HB HIS 35 0.958 5.413 4.099
241 HB3 HIS 35 2HB HIS 35 -0.289 6.617 4.408
242 HD1 HIS 35 HD1 HIS 35 -0.891 8.196 2.322
243 HD2 HIS 35 HD2 HIS 35 1.336 4.796 1.465
244 HE1 HIS 35 HE1 HIS 35 -1.097 7.866 -0.163
245 H THR 36 H THR 36 2.561 5.641 5.911
246 HA THR 36 HA THR 36 1.519 6.858 8.326
247 HB THR 36 HB THR 36 1.371 4.433 8.091
248 HG1 THR 36 HG1 THR 36 2.054 3.996 10.148
249 HG21 THR 36 3HG2 THR 36 3.100 3.566 6.898
250 HG22 THR 36 1HG2 THR 36 3.770 3.309 8.509
251 HG23 THR 36 2HG2 THR 36 4.271 4.708 7.559
252 H GLY 37 H GLY 37 3.357 8.548 7.192
253 HA2 GLY 37 1HA GLY 37 5.650 8.298 9.041
254 HA3 GLY 37 2HA GLY 37 5.824 8.919 7.406
255 H GLU 38 H GLU 38 3.530 9.559 10.061
256 HA GLU 38 HA GLU 38 4.072 12.428 9.686
257 HB2 GLU 38 1HB GLU 38 1.784 12.003 9.212
258 HB3 GLU 38 2HB GLU 38 1.610 10.964 10.619
259 HG2 GLU 38 1HG GLU 38 0.521 12.997 11.122
260 HG3 GLU 38 2HG GLU 38 2.023 12.980 12.045
261 H LYS 39 H LYS 39 5.201 13.383 11.231
262 HA LYS 39 HA LYS 39 6.042 12.139 13.586
263 HB2 LYS 39 1HB LYS 39 7.100 14.155 14.129
264 HB3 LYS 39 2HB LYS 39 7.029 14.182 12.372
265 HG2 LYS 39 1HG LYS 39 4.997 15.541 14.121
266 HG3 LYS 39 2HG LYS 39 6.453 16.337 13.519
267 HD2 LYS 39 1HD LYS 39 5.652 15.562 11.195
268 HD3 LYS 39 2HD LYS 39 4.092 15.307 11.981
269 HE2 LYS 39 1HE LYS 39 4.058 17.488 11.031
270 HE3 LYS 39 2HE LYS 39 4.209 17.680 12.776
271 HZ1 LYS 39 3HZ LYS 39 6.095 18.339 10.671
272 HZ2 LYS 39 1HZ LYS 39 6.769 17.642 12.058
273 HZ3 LYS 39 2HZ LYS 39 5.860 19.063 12.182
274 HA PRO 40 HA PRO 40 2.665 12.575 16.368
275 HB2 PRO 40 1HB PRO 40 4.012 12.605 18.725
276 HB3 PRO 40 2HB PRO 40 3.807 11.142 17.755
277 HG2 PRO 40 1HG PRO 40 6.162 12.982 17.933
278 HG3 PRO 40 2HG PRO 40 6.127 11.209 17.901
279 HD2 PRO 40 1HD PRO 40 6.709 12.695 15.713
280 HD3 PRO 40 2HD PRO 40 5.876 11.130 15.611
281 H SER 41 H SER 41 5.434 14.743 16.825
282 HA SER 41 HA SER 41 3.586 16.952 17.291
283 HB2 SER 41 1HB SER 41 5.798 16.188 19.210
284 HB3 SER 41 2HB SER 41 4.951 17.734 19.244
285 HG SER 41 HG SER 41 3.392 15.428 19.245
286 H GLY 42 H GLY 42 4.407 18.976 16.737
287 HA2 GLY 42 1HA GLY 42 6.835 19.969 16.346
288 HA3 GLY 42 2HA GLY 42 6.735 18.865 14.982
289 HA PRO 43 HA PRO 43 3.424 22.379 14.384
290 HB2 PRO 43 1HB PRO 43 3.925 24.650 15.784
291 HB3 PRO 43 2HB PRO 43 2.898 23.350 16.399
292 HG2 PRO 43 1HG PRO 43 5.767 23.947 17.008
293 HG3 PRO 43 2HG PRO 43 4.464 23.476 18.114
294 HD2 PRO 43 1HD PRO 43 6.315 21.718 17.212
295 HD3 PRO 43 2HD PRO 43 4.644 21.242 17.576
296 H SER 44 H SER 44 4.724 22.250 12.446
297 HA SER 44 HA SER 44 5.886 24.776 11.750
298 HB2 SER 44 1HB SER 44 7.650 22.331 11.962
299 HB3 SER 44 2HB SER 44 8.081 23.749 11.006
300 HG SER 44 HG SER 44 8.196 23.370 13.699
301 H SER 45 H SER 45 5.839 25.136 9.573
302 HA SER 45 HA SER 45 5.138 22.865 7.840
303 HB2 SER 45 1HB SER 45 3.106 24.198 8.444
304 HB3 SER 45 2HB SER 45 3.853 25.601 7.681
305 HG SER 45 HG SER 45 3.882 24.424 5.722
306 H GLY 46 H GLY 46 5.953 22.917 5.769
307 HA2 GLY 46 1HA GLY 46 8.002 24.977 5.302
308 HA3 GLY 46 2HA GLY 46 7.987 23.373 4.584
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -22.305 2.997 -22.080
2 HA2 GLY 1 1HA GLY 1 -22.874 0.604 -20.454
3 HA3 GLY 1 2HA GLY 1 -21.266 1.212 -20.819
4 H SER 2 H SER 2 -23.887 1.280 -18.642
5 HA SER 2 HA SER 2 -23.258 3.730 -17.322
6 HB2 SER 2 1HB SER 2 -24.827 1.333 -16.341
7 HB3 SER 2 2HB SER 2 -24.782 2.912 -15.557
8 HG SER 2 HG SER 2 -25.578 2.597 -18.250
9 H SER 3 H SER 3 -22.913 0.353 -16.217
10 HA SER 3 HA SER 3 -20.574 1.217 -14.644
11 HB2 SER 3 1HB SER 3 -22.749 0.403 -13.444
12 HB3 SER 3 2HB SER 3 -22.195 -1.203 -13.918
13 HG SER 3 HG SER 3 -20.976 0.661 -12.193
14 H GLY 4 H GLY 4 -19.018 -0.592 -14.179
15 HA2 GLY 4 1HA GLY 4 -18.961 -2.658 -16.255
16 HA3 GLY 4 2HA GLY 4 -17.623 -1.520 -16.200
17 H SER 5 H SER 5 -19.413 -3.820 -14.166
18 HA SER 5 HA SER 5 -17.089 -4.124 -12.435
19 HB2 SER 5 1HB SER 5 -19.570 -3.999 -11.662
20 HB3 SER 5 2HB SER 5 -19.639 -5.691 -12.155
21 HG SER 5 HG SER 5 -17.990 -6.143 -10.690
22 H SER 6 H SER 6 -16.623 -4.980 -15.031
23 HA SER 6 HA SER 6 -16.775 -7.908 -14.900
24 HB2 SER 6 1HB SER 6 -16.088 -6.074 -17.209
25 HB3 SER 6 2HB SER 6 -16.127 -7.835 -17.298
26 HG SER 6 HG SER 6 -18.093 -6.504 -17.916
27 H GLY 7 H GLY 7 -14.992 -6.716 -13.138
28 HA2 GLY 7 1HA GLY 7 -12.822 -7.887 -12.761
29 HA3 GLY 7 2HA GLY 7 -12.385 -7.353 -14.377
30 H THR 8 H THR 8 -12.519 -6.540 -11.054
31 HA THR 8 HA THR 8 -11.318 -3.922 -11.666
32 HB THR 8 HB THR 8 -13.105 -4.446 -9.287
33 HG1 THR 8 HG1 THR 8 -14.602 -3.103 -10.507
34 HG21 THR 8 3HG2 THR 8 -12.494 -1.739 -10.360
35 HG22 THR 8 1HG2 THR 8 -11.237 -2.570 -9.444
36 HG23 THR 8 2HG2 THR 8 -12.805 -2.253 -8.702
37 H GLY 9 H GLY 9 -9.212 -4.541 -11.338
38 HA2 GLY 9 1HA GLY 9 -7.776 -4.273 -9.209
39 HA3 GLY 9 2HA GLY 9 -8.551 -5.783 -8.753
40 H GLU 10 H GLU 10 -5.697 -4.955 -9.402
41 HA GLU 10 HA GLU 10 -5.185 -7.004 -11.457
42 HB2 GLU 10 1HB GLU 10 -3.438 -4.653 -10.708
43 HB3 GLU 10 2HB GLU 10 -3.104 -5.832 -11.969
44 HG2 GLU 10 1HG GLU 10 -5.511 -4.032 -11.968
45 HG3 GLU 10 2HG GLU 10 -3.990 -3.638 -12.767
46 H LYS 11 H LYS 11 -4.155 -5.672 -8.360
47 HA LYS 11 HA LYS 11 -2.576 -8.117 -7.897
48 HB2 LYS 11 1HB LYS 11 -2.251 -5.358 -6.706
49 HB3 LYS 11 2HB LYS 11 -1.339 -6.773 -6.196
50 HG2 LYS 11 1HG LYS 11 -1.319 -5.673 -8.997
51 HG3 LYS 11 2HG LYS 11 -0.122 -5.277 -7.761
52 HD2 LYS 11 1HD LYS 11 0.608 -7.548 -7.640
53 HD3 LYS 11 2HD LYS 11 -0.727 -8.090 -8.659
54 HE2 LYS 11 1HE LYS 11 0.186 -6.861 -10.544
55 HE3 LYS 11 2HE LYS 11 1.485 -6.232 -9.531
56 HZ1 LYS 11 3HZ LYS 11 2.081 -8.652 -9.148
57 HZ2 LYS 11 1HZ LYS 11 2.415 -8.021 -10.682
58 HZ3 LYS 11 2HZ LYS 11 1.063 -9.011 -10.450
59 HA PRO 12 HA PRO 12 -5.246 -9.258 -4.604
60 HB2 PRO 12 1HB PRO 12 -3.502 -10.466 -2.910
61 HB3 PRO 12 2HB PRO 12 -4.017 -11.192 -4.437
62 HG2 PRO 12 1HG PRO 12 -1.503 -9.694 -3.804
63 HG3 PRO 12 2HG PRO 12 -1.712 -11.179 -4.750
64 HD2 PRO 12 1HD PRO 12 -1.392 -8.750 -5.903
65 HD3 PRO 12 2HD PRO 12 -2.375 -10.033 -6.637
66 H TYR 13 H TYR 13 -2.400 -7.351 -3.880
67 HA TYR 13 HA TYR 13 -3.627 -6.467 -1.357
68 HB2 TYR 13 1HB TYR 13 -0.768 -6.149 -2.296
69 HB3 TYR 13 2HB TYR 13 -1.400 -5.669 -0.725
70 HD1 TYR 13 HD1 TYR 13 -2.147 -7.423 0.887
71 HD2 TYR 13 HD2 TYR 13 -0.133 -8.396 -2.733
72 HE1 TYR 13 HE1 TYR 13 -1.630 -9.655 1.781
73 HE2 TYR 13 HE2 TYR 13 0.388 -10.632 -1.849
74 HH TYR 13 HH TYR 13 -0.922 -12.166 0.164
75 H ARG 14 H ARG 14 -4.020 -4.321 -0.965
76 HA ARG 14 HA ARG 14 -3.327 -2.369 -3.029
77 HB2 ARG 14 1HB ARG 14 -5.561 -3.183 -3.626
78 HB3 ARG 14 2HB ARG 14 -6.139 -2.809 -2.008
79 HG2 ARG 14 1HG ARG 14 -4.918 -0.616 -3.592
80 HG3 ARG 14 2HG ARG 14 -6.530 -1.177 -4.042
81 HD2 ARG 14 1HD ARG 14 -5.702 -0.265 -1.288
82 HD3 ARG 14 2HD ARG 14 -6.593 0.708 -2.458
83 HE ARG 14 HE ARG 14 -7.812 -1.823 -1.767
84 HH11 ARG 14 1HH1 ARG 14 -7.591 1.587 -1.101
85 HH12 ARG 14 2HH1 ARG 14 -9.139 1.669 -0.327
86 HH21 ARG 14 1HH2 ARG 14 -9.852 -1.728 -0.750
87 HH22 ARG 14 2HH2 ARG 14 -10.424 -0.217 -0.128
88 H CYS 15 H CYS 15 -3.059 -0.294 -2.283
89 HA CYS 15 HA CYS 15 -2.645 -0.004 0.540
90 HB2 CYS 15 1HB CYS 15 -1.239 1.043 -1.310
91 HB3 CYS 15 2HB CYS 15 -2.550 2.200 -1.518
92 H ALA 16 H ALA 16 -4.184 0.467 1.948
93 HA ALA 16 HA ALA 16 -6.702 1.597 1.078
94 HB1 ALA 16 3HB ALA 16 -6.062 -0.200 3.009
95 HB2 ALA 16 1HB ALA 16 -6.259 1.271 3.961
96 HB3 ALA 16 2HB ALA 16 -7.578 0.698 2.940
97 H GLU 17 H GLU 17 -4.326 3.278 0.899
98 HA GLU 17 HA GLU 17 -5.223 5.468 2.649
99 HB2 GLU 17 1HB GLU 17 -2.412 4.580 2.045
100 HB3 GLU 17 2HB GLU 17 -2.764 6.223 2.564
101 HG2 GLU 17 1HG GLU 17 -3.970 5.113 4.544
102 HG3 GLU 17 2HG GLU 17 -3.080 3.664 4.079
103 H CYS 18 H CYS 18 -3.548 4.579 -0.343
104 HA CYS 18 HA CYS 18 -4.421 7.147 -1.498
105 HB2 CYS 18 1HB CYS 18 -2.480 6.935 -3.049
106 HB3 CYS 18 2HB CYS 18 -2.011 7.115 -1.362
107 H GLY 19 H GLY 19 -3.656 3.760 -2.289
108 HA2 GLY 19 1HA GLY 19 -5.492 2.511 -3.396
109 HA3 GLY 19 2HA GLY 19 -5.696 3.923 -4.423
110 H LYS 20 H LYS 20 -2.995 1.823 -3.406
111 HA LYS 20 HA LYS 20 -2.158 1.725 -6.230
112 HB2 LYS 20 1HB LYS 20 -0.653 2.775 -4.351
113 HB3 LYS 20 2HB LYS 20 -0.293 1.095 -3.973
114 HG2 LYS 20 1HG LYS 20 0.784 0.734 -5.986
115 HG3 LYS 20 2HG LYS 20 -0.019 2.093 -6.775
116 HD2 LYS 20 1HD LYS 20 1.341 3.669 -5.688
117 HD3 LYS 20 2HD LYS 20 1.887 2.495 -4.488
118 HE2 LYS 20 1HE LYS 20 2.484 2.135 -7.405
119 HE3 LYS 20 2HE LYS 20 3.498 3.155 -6.386
120 HZ1 LYS 20 3HZ LYS 20 3.638 1.135 -4.874
121 HZ2 LYS 20 1HZ LYS 20 4.499 1.067 -6.329
122 HZ3 LYS 20 2HZ LYS 20 3.029 0.244 -6.177
123 H ALA 21 H ALA 21 -0.843 -0.301 -6.731
124 HA ALA 21 HA ALA 21 -2.195 -2.625 -5.521
125 HB1 ALA 21 3HB ALA 21 -1.402 -3.650 -7.837
126 HB2 ALA 21 1HB ALA 21 -2.922 -2.770 -7.671
127 HB3 ALA 21 2HB ALA 21 -1.500 -1.958 -8.327
128 H PHE 22 H PHE 22 -1.002 -4.370 -4.877
129 HA PHE 22 HA PHE 22 1.884 -4.352 -5.357
130 HB2 PHE 22 1HB PHE 22 0.613 -4.516 -2.616
131 HB3 PHE 22 2HB PHE 22 2.313 -4.825 -2.952
132 HD1 PHE 22 HD1 PHE 22 3.808 -3.004 -3.584
133 HD2 PHE 22 HD2 PHE 22 -0.266 -2.289 -2.579
134 HE1 PHE 22 HE1 PHE 22 4.298 -0.608 -3.315
135 HE2 PHE 22 HE2 PHE 22 0.218 0.108 -2.309
136 HZ PHE 22 HZ PHE 22 2.502 0.952 -2.678
137 H THR 23 H THR 23 2.730 -6.334 -5.660
138 HA THR 23 HA THR 23 0.967 -8.561 -5.926
139 HB THR 23 HB THR 23 2.851 -8.327 -7.442
140 HG1 THR 23 HG1 THR 23 2.094 -10.475 -6.773
141 HG21 THR 23 3HG2 THR 23 4.944 -7.872 -6.797
142 HG22 THR 23 1HG2 THR 23 4.945 -9.183 -5.618
143 HG23 THR 23 2HG2 THR 23 4.284 -7.606 -5.183
144 H ASP 24 H ASP 24 3.209 -7.473 -3.483
145 HA ASP 24 HA ASP 24 2.315 -9.664 -1.754
146 HB2 ASP 24 1HB ASP 24 5.121 -9.012 -2.521
147 HB3 ASP 24 2HB ASP 24 4.816 -9.510 -0.859
148 H ARG 25 H ARG 25 2.679 -9.229 0.550
149 HA ARG 25 HA ARG 25 1.795 -6.663 1.277
150 HB2 ARG 25 1HB ARG 25 2.912 -8.975 2.846
151 HB3 ARG 25 2HB ARG 25 2.477 -7.463 3.632
152 HG2 ARG 25 1HG ARG 25 0.183 -7.711 2.716
153 HG3 ARG 25 2HG ARG 25 0.652 -9.295 2.095
154 HD2 ARG 25 1HD ARG 25 1.419 -9.631 4.613
155 HD3 ARG 25 2HD ARG 25 0.184 -8.403 4.889
156 HE ARG 25 HE ARG 25 -1.441 -9.936 4.316
157 HH11 ARG 25 1HH1 ARG 25 1.716 -11.210 3.590
158 HH12 ARG 25 2HH1 ARG 25 1.143 -12.819 3.299
159 HH21 ARG 25 1HH2 ARG 25 -2.208 -12.050 3.935
160 HH22 ARG 25 2HH2 ARG 25 -1.089 -13.296 3.494
161 H SER 26 H SER 26 4.943 -8.204 1.962
162 HA SER 26 HA SER 26 6.347 -6.291 3.171
163 HB2 SER 26 1HB SER 26 7.426 -8.343 2.507
164 HB3 SER 26 2HB SER 26 7.280 -7.923 0.800
165 HG SER 26 HG SER 26 8.606 -6.098 2.419
166 H ASN 27 H ASN 27 5.893 -6.347 -0.363
167 HA ASN 27 HA ASN 27 7.207 -3.934 -0.904
168 HB2 ASN 27 1HB ASN 27 5.240 -5.645 -2.344
169 HB3 ASN 27 2HB ASN 27 5.471 -4.001 -2.933
170 HD21 ASN 27 1HD2 ASN 27 6.133 -5.613 -4.751
171 HD22 ASN 27 2HD2 ASN 27 7.830 -5.921 -4.855
172 H LEU 28 H LEU 28 3.799 -4.610 -0.210
173 HA LEU 28 HA LEU 28 2.835 -1.999 -0.610
174 HB2 LEU 28 1HB LEU 28 1.245 -3.722 -0.533
175 HB3 LEU 28 2HB LEU 28 1.859 -4.334 1.002
176 HG LEU 28 HG LEU 28 0.987 -2.241 2.077
177 HD11 LEU 28 1HD1 LEU 28 0.885 -0.874 0.038
178 HD12 LEU 28 2HD1 LEU 28 -0.661 -0.927 0.884
179 HD13 LEU 28 3HD1 LEU 28 -0.417 -1.897 -0.569
180 HD21 LEU 28 3HD2 LEU 28 -0.789 -4.264 0.765
181 HD22 LEU 28 1HD2 LEU 28 -1.466 -2.982 1.770
182 HD23 LEU 28 2HD2 LEU 28 -0.314 -4.126 2.459
183 H PHE 29 H PHE 29 3.780 -3.670 2.391
184 HA PHE 29 HA PHE 29 3.328 -1.590 4.169
185 HB2 PHE 29 1HB PHE 29 5.202 -3.928 4.169
186 HB3 PHE 29 2HB PHE 29 5.310 -2.728 5.452
187 HD1 PHE 29 HD2 PHE 29 2.679 -4.702 3.685
188 HD2 PHE 29 HD1 PHE 29 4.147 -3.165 7.373
189 HE1 PHE 29 HE2 PHE 29 0.841 -5.821 4.879
190 HE2 PHE 29 HE1 PHE 29 2.313 -4.283 8.573
191 HZ PHE 29 HZ PHE 29 0.656 -5.612 7.326
192 H THR 30 H THR 30 6.175 -2.280 2.194
193 HA THR 30 HA THR 30 7.889 -0.340 3.262
194 HB THR 30 HB THR 30 7.793 -1.362 0.416
195 HG1 THR 30 HG1 THR 30 9.492 -2.762 1.276
196 HG21 THR 30 3HG2 THR 30 9.908 -0.486 0.076
197 HG22 THR 30 1HG2 THR 30 10.255 -0.377 1.801
198 HG23 THR 30 2HG2 THR 30 9.153 0.777 1.049
199 H HIS 31 H HIS 31 5.433 -0.132 0.738
200 HA HIS 31 HA HIS 31 6.082 2.540 -0.032
201 HB2 HIS 31 1HB HIS 31 4.961 1.397 -1.712
202 HB3 HIS 31 2HB HIS 31 3.823 0.655 -0.592
203 HD1 HIS 31 HD1 HIS 31 4.443 3.821 -2.500
204 HD2 HIS 31 HD2 HIS 31 1.528 2.140 -0.063
205 HE1 HIS 31 HE1 HIS 31 2.432 5.312 -2.732
206 H GLN 32 H GLN 32 3.361 1.161 1.817
207 HA GLN 32 HA GLN 32 1.906 3.293 2.508
208 HB2 GLN 32 1HB GLN 32 2.871 1.105 4.349
209 HB3 GLN 32 2HB GLN 32 1.625 2.262 4.798
210 HG2 GLN 32 1HG GLN 32 0.519 1.438 2.561
211 HG3 GLN 32 2HG GLN 32 1.524 0.019 2.853
212 HE21 GLN 32 1HE2 GLN 32 -1.443 1.306 3.349
213 HE22 GLN 32 2HE2 GLN 32 -1.931 0.399 4.736
214 H LYS 33 H LYS 33 5.169 2.677 3.574
215 HA LYS 33 HA LYS 33 5.456 4.318 5.748
216 HB2 LYS 33 1HB LYS 33 7.382 3.949 3.447
217 HB3 LYS 33 2HB LYS 33 7.806 4.667 4.996
218 HG2 LYS 33 1HG LYS 33 7.100 2.518 6.077
219 HG3 LYS 33 2HG LYS 33 6.961 1.833 4.457
220 HD2 LYS 33 1HD LYS 33 9.330 2.385 4.050
221 HD3 LYS 33 2HD LYS 33 9.452 3.000 5.700
222 HE2 LYS 33 1HE LYS 33 8.595 0.188 5.058
223 HE3 LYS 33 2HE LYS 33 10.279 0.639 5.321
224 HZ1 LYS 33 3HZ LYS 33 8.111 0.378 7.233
225 HZ2 LYS 33 1HZ LYS 33 9.142 1.696 7.478
226 HZ3 LYS 33 2HZ LYS 33 9.772 0.127 7.436
227 H ILE 34 H ILE 34 5.656 5.284 2.331
228 HA ILE 34 HA ILE 34 6.306 7.917 2.524
229 HB ILE 34 HB ILE 34 5.092 8.337 0.485
230 HG12 ILE 34 1HG1 ILE 34 3.814 5.639 0.514
231 HG13 ILE 34 2HG1 ILE 34 3.066 6.923 1.458
232 HG21 ILE 34 1HG2 ILE 34 6.842 7.224 -0.348
233 HG22 ILE 34 2HG2 ILE 34 6.715 5.944 0.857
234 HG23 ILE 34 3HG2 ILE 34 5.711 5.893 -0.591
235 HD11 ILE 34 3HD1 ILE 34 3.275 8.272 -0.767
236 HD12 ILE 34 1HD1 ILE 34 3.371 6.666 -1.489
237 HD13 ILE 34 2HD1 ILE 34 1.960 7.121 -0.533
238 H HIS 35 H HIS 35 3.374 6.419 3.588
239 HA HIS 35 HA HIS 35 1.904 8.895 3.816
240 HB2 HIS 35 1HB HIS 35 1.299 6.101 4.802
241 HB3 HIS 35 2HB HIS 35 0.199 7.468 4.952
242 HD1 HIS 35 HD1 HIS 35 -1.219 8.035 2.950
243 HD2 HIS 35 HD2 HIS 35 1.734 5.242 2.091
244 HE1 HIS 35 HE1 HIS 35 -1.733 7.204 0.632
245 H THR 36 H THR 36 3.679 6.714 5.937
246 HA THR 36 HA THR 36 3.403 8.702 8.097
247 HB THR 36 HB THR 36 2.241 6.560 8.603
248 HG1 THR 36 HG1 THR 36 4.481 7.381 10.138
249 HG21 THR 36 3HG2 THR 36 4.846 5.486 7.807
250 HG22 THR 36 1HG2 THR 36 3.265 4.707 7.846
251 HG23 THR 36 2HG2 THR 36 4.230 4.819 9.318
252 H GLY 37 H GLY 37 5.422 8.795 6.106
253 HA2 GLY 37 1HA GLY 37 7.827 7.718 7.361
254 HA3 GLY 37 2HA GLY 37 7.737 8.518 5.799
255 H GLU 38 H GLU 38 6.553 9.656 8.939
256 HA GLU 38 HA GLU 38 6.782 11.777 9.835
257 HB2 GLU 38 1HB GLU 38 8.649 10.194 10.693
258 HB3 GLU 38 2HB GLU 38 9.721 11.169 9.698
259 HG2 GLU 38 1HG GLU 38 9.190 13.141 10.940
260 HG3 GLU 38 2HG GLU 38 7.933 12.293 11.839
261 H LYS 39 H LYS 39 6.490 12.081 7.115
262 HA LYS 39 HA LYS 39 8.590 13.919 6.246
263 HB2 LYS 39 1HB LYS 39 6.379 12.447 4.889
264 HB3 LYS 39 2HB LYS 39 6.950 13.943 4.161
265 HG2 LYS 39 1HG LYS 39 8.832 11.733 4.914
266 HG3 LYS 39 2HG LYS 39 7.996 11.766 3.360
267 HD2 LYS 39 1HD LYS 39 8.936 14.200 3.234
268 HD3 LYS 39 2HD LYS 39 10.090 13.609 4.432
269 HE2 LYS 39 1HE LYS 39 9.621 11.967 1.998
270 HE3 LYS 39 2HE LYS 39 10.565 13.446 1.833
271 HZ1 LYS 39 3HZ LYS 39 11.161 11.073 3.494
272 HZ2 LYS 39 1HZ LYS 39 11.916 12.562 3.765
273 HZ3 LYS 39 2HZ LYS 39 12.112 11.773 2.282
274 HA PRO 40 HA PRO 40 6.307 17.513 7.367
275 HB2 PRO 40 1HB PRO 40 7.444 19.290 5.658
276 HB3 PRO 40 2HB PRO 40 8.275 18.666 7.088
277 HG2 PRO 40 1HG PRO 40 8.522 17.811 4.229
278 HG3 PRO 40 2HG PRO 40 9.797 18.059 5.437
279 HD2 PRO 40 1HD PRO 40 8.859 15.602 4.791
280 HD3 PRO 40 2HD PRO 40 9.438 16.005 6.420
281 H SER 41 H SER 41 5.326 19.511 6.031
282 HA SER 41 HA SER 41 3.667 18.322 3.905
283 HB2 SER 41 1HB SER 41 1.864 19.806 4.598
284 HB3 SER 41 2HB SER 41 2.423 18.869 5.984
285 HG SER 41 HG SER 41 3.084 21.558 5.361
286 H GLY 42 H GLY 42 3.035 19.677 2.152
287 HA2 GLY 42 1HA GLY 42 4.525 22.192 1.868
288 HA3 GLY 42 2HA GLY 42 4.748 20.941 0.654
289 HA PRO 43 HA PRO 43 1.126 23.779 -0.400
290 HB2 PRO 43 1HB PRO 43 2.202 24.857 -2.647
291 HB3 PRO 43 2HB PRO 43 2.418 25.567 -1.042
292 HG2 PRO 43 1HG PRO 43 4.281 23.825 -2.609
293 HG3 PRO 43 2HG PRO 43 4.641 25.279 -1.661
294 HD2 PRO 43 1HD PRO 43 5.088 22.779 -0.721
295 HD3 PRO 43 2HD PRO 43 4.634 24.130 0.337
296 H SER 44 H SER 44 0.165 21.684 -0.813
297 HA SER 44 HA SER 44 0.726 20.268 -3.234
298 HB2 SER 44 1HB SER 44 -0.273 19.335 -1.045
299 HB3 SER 44 2HB SER 44 -1.807 19.982 -1.628
300 HG SER 44 HG SER 44 -0.152 18.140 -3.019
301 H SER 45 H SER 45 0.127 20.869 -5.196
302 HA SER 45 HA SER 45 -2.509 21.591 -5.883
303 HB2 SER 45 1HB SER 45 -1.700 23.719 -4.748
304 HB3 SER 45 2HB SER 45 -0.574 23.902 -6.093
305 HG SER 45 HG SER 45 -2.600 25.022 -6.366
306 H GLY 46 H GLY 46 -2.836 21.570 -8.095
307 HA2 GLY 46 1HA GLY 46 -1.262 22.048 -10.202
308 HA3 GLY 46 2HA GLY 46 -0.608 20.517 -9.640
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -22.206 0.241 -26.971
2 HA2 GLY 1 1HA GLY 1 -20.944 2.351 -26.688
3 HA3 GLY 1 2HA GLY 1 -21.637 2.437 -25.075
4 H SER 2 H SER 2 -19.023 2.681 -25.121
5 HA SER 2 HA SER 2 -18.108 0.247 -23.840
6 HB2 SER 2 1HB SER 2 -16.009 0.170 -25.181
7 HB3 SER 2 2HB SER 2 -17.448 -0.193 -26.134
8 HG SER 2 HG SER 2 -16.098 1.269 -27.228
9 H SER 3 H SER 3 -17.209 0.859 -21.999
10 HA SER 3 HA SER 3 -15.326 3.058 -21.926
11 HB2 SER 3 1HB SER 3 -16.475 4.293 -20.166
12 HB3 SER 3 2HB SER 3 -17.518 4.169 -21.583
13 HG SER 3 HG SER 3 -18.619 2.471 -20.543
14 H GLY 4 H GLY 4 -13.676 2.465 -20.687
15 HA2 GLY 4 1HA GLY 4 -13.549 1.658 -18.137
16 HA3 GLY 4 2HA GLY 4 -13.956 0.153 -18.949
17 H SER 5 H SER 5 -11.673 2.865 -19.348
18 HA SER 5 HA SER 5 -9.694 1.062 -20.465
19 HB2 SER 5 1HB SER 5 -8.365 3.063 -20.854
20 HB3 SER 5 2HB SER 5 -10.019 3.344 -21.397
21 HG SER 5 HG SER 5 -9.238 5.099 -20.173
22 H SER 6 H SER 6 -10.051 3.129 -17.604
23 HA SER 6 HA SER 6 -7.636 1.954 -16.446
24 HB2 SER 6 1HB SER 6 -7.937 3.692 -14.680
25 HB3 SER 6 2HB SER 6 -7.783 4.370 -16.301
26 HG SER 6 HG SER 6 -10.202 3.952 -14.874
27 H GLY 7 H GLY 7 -7.766 0.283 -15.111
28 HA2 GLY 7 1HA GLY 7 -8.988 -0.209 -12.864
29 HA3 GLY 7 2HA GLY 7 -10.373 -0.378 -13.933
30 H THR 8 H THR 8 -6.977 -1.466 -14.021
31 HA THR 8 HA THR 8 -7.926 -4.233 -14.187
32 HB THR 8 HB THR 8 -6.207 -4.673 -15.984
33 HG1 THR 8 HG1 THR 8 -5.379 -2.333 -15.529
34 HG21 THR 8 3HG2 THR 8 -8.497 -4.673 -16.624
35 HG22 THR 8 1HG2 THR 8 -7.645 -3.693 -17.817
36 HG23 THR 8 2HG2 THR 8 -8.588 -2.913 -16.547
37 H GLY 9 H GLY 9 -6.473 -5.786 -13.430
38 HA2 GLY 9 1HA GLY 9 -3.857 -5.783 -12.917
39 HA3 GLY 9 2HA GLY 9 -4.437 -4.722 -11.642
40 H GLU 10 H GLU 10 -6.476 -5.722 -10.493
41 HA GLU 10 HA GLU 10 -7.279 -7.323 -9.091
42 HB2 GLU 10 1HB GLU 10 -6.335 -8.903 -11.427
43 HB3 GLU 10 2HB GLU 10 -6.685 -9.783 -9.946
44 HG2 GLU 10 1HG GLU 10 -8.577 -9.658 -11.554
45 HG3 GLU 10 2HG GLU 10 -8.942 -9.046 -9.942
46 H LYS 11 H LYS 11 -4.983 -6.168 -8.266
47 HA LYS 11 HA LYS 11 -2.998 -8.143 -7.583
48 HB2 LYS 11 1HB LYS 11 -3.361 -5.219 -7.112
49 HB3 LYS 11 2HB LYS 11 -2.268 -6.102 -6.054
50 HG2 LYS 11 1HG LYS 11 -0.895 -5.274 -7.740
51 HG3 LYS 11 2HG LYS 11 -1.170 -6.957 -8.197
52 HD2 LYS 11 1HD LYS 11 -2.913 -6.249 -9.760
53 HD3 LYS 11 2HD LYS 11 -2.652 -4.567 -9.295
54 HE2 LYS 11 1HE LYS 11 -0.451 -6.291 -10.397
55 HE3 LYS 11 2HE LYS 11 -1.535 -5.371 -11.440
56 HZ1 LYS 11 3HZ LYS 11 -0.046 -4.073 -9.242
57 HZ2 LYS 11 1HZ LYS 11 -0.747 -3.361 -10.608
58 HZ3 LYS 11 2HZ LYS 11 0.654 -4.295 -10.766
59 HA PRO 12 HA PRO 12 -4.797 -9.571 -3.828
60 HB2 PRO 12 1HB PRO 12 -2.548 -10.416 -2.564
61 HB3 PRO 12 2HB PRO 12 -3.270 -11.285 -3.923
62 HG2 PRO 12 1HG PRO 12 -0.949 -9.395 -3.902
63 HG3 PRO 12 2HG PRO 12 -1.128 -10.938 -4.757
64 HD2 PRO 12 1HD PRO 12 -1.464 -8.547 -5.982
65 HD3 PRO 12 2HD PRO 12 -2.371 -9.999 -6.455
66 H TYR 13 H TYR 13 -2.201 -7.221 -3.800
67 HA TYR 13 HA TYR 13 -3.102 -6.313 -1.144
68 HB2 TYR 13 1HB TYR 13 -0.366 -5.868 -2.348
69 HB3 TYR 13 2HB TYR 13 -0.877 -5.507 -0.703
70 HD1 TYR 13 HD1 TYR 13 -1.255 -7.338 0.908
71 HD2 TYR 13 HD2 TYR 13 0.274 -8.086 -2.991
72 HE1 TYR 13 HE1 TYR 13 -0.511 -9.568 1.634
73 HE2 TYR 13 HE2 TYR 13 1.021 -10.318 -2.277
74 HH TYR 13 HH TYR 13 1.018 -11.823 -0.639
75 H ARG 14 H ARG 14 -3.135 -4.036 -0.767
76 HA ARG 14 HA ARG 14 -2.767 -2.210 -2.963
77 HB2 ARG 14 1HB ARG 14 -5.030 -3.236 -3.372
78 HB3 ARG 14 2HB ARG 14 -5.555 -2.533 -1.848
79 HG2 ARG 14 1HG ARG 14 -4.895 -0.291 -2.791
80 HG3 ARG 14 2HG ARG 14 -4.703 -1.101 -4.347
81 HD2 ARG 14 1HD ARG 14 -7.241 -1.440 -2.812
82 HD3 ARG 14 2HD ARG 14 -6.967 0.049 -3.715
83 HE ARG 14 HE ARG 14 -7.193 -1.126 -5.687
84 HH11 ARG 14 1HH1 ARG 14 -7.047 -3.323 -2.991
85 HH12 ARG 14 2HH1 ARG 14 -7.535 -4.702 -3.919
86 HH21 ARG 14 1HH2 ARG 14 -7.836 -2.934 -6.921
87 HH22 ARG 14 2HH2 ARG 14 -7.983 -4.479 -6.155
88 H CYS 15 H CYS 15 -2.873 -0.010 -2.327
89 HA CYS 15 HA CYS 15 -2.287 0.380 0.477
90 HB2 CYS 15 1HB CYS 15 -1.018 1.466 -1.437
91 HB3 CYS 15 2HB CYS 15 -2.425 2.499 -1.669
92 H ALA 16 H ALA 16 -3.650 1.105 1.974
93 HA ALA 16 HA ALA 16 -6.352 1.837 1.181
94 HB1 ALA 16 3HB ALA 16 -6.644 1.866 3.750
95 HB2 ALA 16 1HB ALA 16 -6.410 0.320 2.932
96 HB3 ALA 16 2HB ALA 16 -5.063 1.086 3.775
97 H GLU 17 H GLU 17 -4.134 3.679 0.667
98 HA GLU 17 HA GLU 17 -5.141 5.972 2.211
99 HB2 GLU 17 1HB GLU 17 -2.277 5.331 1.512
100 HB3 GLU 17 2HB GLU 17 -2.802 6.928 2.023
101 HG2 GLU 17 1HG GLU 17 -3.502 4.612 3.741
102 HG3 GLU 17 2HG GLU 17 -1.829 5.168 3.725
103 H CYS 18 H CYS 18 -3.294 5.033 -0.685
104 HA CYS 18 HA CYS 18 -4.456 7.349 -2.083
105 HB2 CYS 18 1HB CYS 18 -2.588 7.076 -3.694
106 HB3 CYS 18 2HB CYS 18 -2.031 7.397 -2.055
107 H GLY 19 H GLY 19 -3.628 3.916 -2.512
108 HA2 GLY 19 1HA GLY 19 -5.445 2.492 -3.395
109 HA3 GLY 19 2HA GLY 19 -5.765 3.777 -4.550
110 H LYS 20 H LYS 20 -2.632 2.466 -3.558
111 HA LYS 20 HA LYS 20 -1.972 2.015 -6.355
112 HB2 LYS 20 1HB LYS 20 -0.446 2.249 -3.814
113 HB3 LYS 20 2HB LYS 20 0.263 1.266 -5.088
114 HG2 LYS 20 1HG LYS 20 0.134 3.166 -6.623
115 HG3 LYS 20 2HG LYS 20 -0.565 4.152 -5.336
116 HD2 LYS 20 1HD LYS 20 1.496 3.719 -3.992
117 HD3 LYS 20 2HD LYS 20 2.189 2.924 -5.408
118 HE2 LYS 20 1HE LYS 20 1.193 5.770 -5.372
119 HE3 LYS 20 2HE LYS 20 2.875 5.306 -5.124
120 HZ1 LYS 20 3HZ LYS 20 3.151 5.210 -7.304
121 HZ2 LYS 20 1HZ LYS 20 1.555 5.721 -7.539
122 HZ3 LYS 20 2HZ LYS 20 1.912 4.069 -7.457
123 H ALA 21 H ALA 21 -0.999 0.008 -7.072
124 HA ALA 21 HA ALA 21 -2.141 -2.317 -5.670
125 HB1 ALA 21 3HB ALA 21 -2.504 -3.363 -7.705
126 HB2 ALA 21 1HB ALA 21 -2.860 -1.675 -8.073
127 HB3 ALA 21 2HB ALA 21 -1.309 -2.373 -8.544
128 H PHE 22 H PHE 22 -0.859 -3.973 -5.059
129 HA PHE 22 HA PHE 22 1.951 -3.943 -5.924
130 HB2 PHE 22 1HB PHE 22 0.909 -4.249 -3.104
131 HB3 PHE 22 2HB PHE 22 2.556 -4.650 -3.579
132 HD1 PHE 22 HD2 PHE 22 0.113 -1.890 -3.330
133 HD2 PHE 22 HD1 PHE 22 4.199 -2.984 -3.798
134 HE1 PHE 22 HE2 PHE 22 0.777 0.454 -2.983
135 HE2 PHE 22 HE1 PHE 22 4.870 -0.642 -3.451
136 HZ PHE 22 HZ PHE 22 3.157 1.080 -3.045
137 H THR 23 H THR 23 3.057 -6.013 -5.644
138 HA THR 23 HA THR 23 1.244 -8.222 -6.238
139 HB THR 23 HB THR 23 3.250 -9.437 -6.966
140 HG1 THR 23 HG1 THR 23 5.213 -8.708 -6.541
141 HG21 THR 23 3HG2 THR 23 2.064 -7.303 -8.232
142 HG22 THR 23 1HG2 THR 23 3.184 -8.443 -8.976
143 HG23 THR 23 2HG2 THR 23 3.781 -6.913 -8.334
144 H ASP 24 H ASP 24 3.838 -7.375 -3.983
145 HA ASP 24 HA ASP 24 3.054 -9.686 -2.331
146 HB2 ASP 24 1HB ASP 24 5.395 -9.730 -3.261
147 HB3 ASP 24 2HB ASP 24 5.736 -8.294 -2.299
148 H ARG 25 H ARG 25 3.044 -9.400 -0.043
149 HA ARG 25 HA ARG 25 1.854 -6.995 0.805
150 HB2 ARG 25 1HB ARG 25 1.695 -9.367 1.823
151 HB3 ARG 25 2HB ARG 25 3.166 -8.938 2.686
152 HG2 ARG 25 1HG ARG 25 2.065 -7.119 3.787
153 HG3 ARG 25 2HG ARG 25 0.615 -7.348 2.808
154 HD2 ARG 25 1HD ARG 25 0.394 -8.284 5.081
155 HD3 ARG 25 2HD ARG 25 0.221 -9.503 3.819
156 HE ARG 25 HE ARG 25 2.847 -9.639 4.467
157 HH11 ARG 25 1HH1 ARG 25 -0.096 -9.769 6.323
158 HH12 ARG 25 2HH1 ARG 25 0.568 -10.801 7.546
159 HH21 ARG 25 1HH2 ARG 25 3.732 -10.997 6.071
160 HH22 ARG 25 2HH2 ARG 25 2.745 -11.498 7.403
161 H SER 26 H SER 26 5.075 -8.344 1.517
162 HA SER 26 HA SER 26 6.125 -6.420 3.125
163 HB2 SER 26 1HB SER 26 7.331 -8.462 2.391
164 HB3 SER 26 2HB SER 26 7.598 -7.714 0.817
165 HG SER 26 HG SER 26 9.009 -7.420 3.071
166 H ASN 27 H ASN 27 5.982 -6.308 -0.422
167 HA ASN 27 HA ASN 27 7.282 -3.839 -0.738
168 HB2 ASN 27 1HB ASN 27 5.208 -5.180 -2.486
169 HB3 ASN 27 2HB ASN 27 6.173 -3.789 -2.971
170 HD21 ASN 27 1HD2 ASN 27 6.067 -6.384 -4.197
171 HD22 ASN 27 2HD2 ASN 27 7.665 -7.036 -4.129
172 H LEU 28 H LEU 28 3.858 -4.647 -0.343
173 HA LEU 28 HA LEU 28 2.822 -2.067 -0.722
174 HB2 LEU 28 1HB LEU 28 1.322 -3.887 -0.780
175 HB3 LEU 28 2HB LEU 28 1.834 -4.457 0.807
176 HG LEU 28 HG LEU 28 0.756 -2.480 1.827
177 HD11 LEU 28 1HD1 LEU 28 -0.003 -1.923 -1.026
178 HD12 LEU 28 2HD1 LEU 28 0.807 -0.858 0.122
179 HD13 LEU 28 3HD1 LEU 28 -0.896 -1.260 0.343
180 HD21 LEU 28 3HD2 LEU 28 -1.402 -3.671 0.196
181 HD22 LEU 28 1HD2 LEU 28 -1.253 -3.514 1.947
182 HD23 LEU 28 2HD2 LEU 28 -0.381 -4.791 1.098
183 H PHE 29 H PHE 29 3.556 -3.784 2.316
184 HA PHE 29 HA PHE 29 2.941 -1.775 4.103
185 HB2 PHE 29 1HB PHE 29 4.832 -4.080 4.143
186 HB3 PHE 29 2HB PHE 29 4.975 -2.876 5.420
187 HD1 PHE 29 HD2 PHE 29 2.352 -4.898 3.702
188 HD2 PHE 29 HD1 PHE 29 3.760 -3.192 7.339
189 HE1 PHE 29 HE2 PHE 29 0.506 -5.976 4.918
190 HE2 PHE 29 HE1 PHE 29 1.916 -4.269 8.561
191 HZ PHE 29 HZ PHE 29 0.285 -5.662 7.351
192 H THR 30 H THR 30 6.069 -2.386 2.526
193 HA THR 30 HA THR 30 7.538 -0.339 3.684
194 HB THR 30 HB THR 30 7.796 -1.311 0.832
195 HG1 THR 30 HG1 THR 30 9.375 -2.268 2.951
196 HG21 THR 30 3HG2 THR 30 9.038 0.812 1.690
197 HG22 THR 30 1HG2 THR 30 9.935 -0.417 0.799
198 HG23 THR 30 2HG2 THR 30 10.044 -0.348 2.557
199 H HIS 31 H HIS 31 5.293 -0.241 0.977
200 HA HIS 31 HA HIS 31 5.910 2.399 0.139
201 HB2 HIS 31 1HB HIS 31 4.794 1.126 -1.472
202 HB3 HIS 31 2HB HIS 31 3.601 0.534 -0.319
203 HD1 HIS 31 HD1 HIS 31 4.546 3.805 -2.011
204 HD2 HIS 31 HD2 HIS 31 1.239 1.860 -0.417
205 HE1 HIS 31 HE1 HIS 31 2.583 5.291 -2.521
206 H GLN 32 H GLN 32 3.193 1.112 2.058
207 HA GLN 32 HA GLN 32 1.838 3.405 2.632
208 HB2 GLN 32 1HB GLN 32 2.308 0.879 4.130
209 HB3 GLN 32 2HB GLN 32 1.588 2.218 5.013
210 HG2 GLN 32 1HG GLN 32 -0.200 2.347 3.347
211 HG3 GLN 32 2HG GLN 32 0.517 0.988 2.483
212 HE21 GLN 32 1HE2 GLN 32 0.302 -1.069 3.293
213 HE22 GLN 32 2HE2 GLN 32 -0.767 -1.460 4.593
214 H LYS 33 H LYS 33 5.002 2.551 3.675
215 HA LYS 33 HA LYS 33 5.342 3.937 6.025
216 HB2 LYS 33 1HB LYS 33 7.310 3.813 3.733
217 HB3 LYS 33 2HB LYS 33 7.700 4.162 5.412
218 HG2 LYS 33 1HG LYS 33 6.338 1.601 4.716
219 HG3 LYS 33 2HG LYS 33 8.074 1.777 4.449
220 HD2 LYS 33 1HD LYS 33 8.373 2.379 6.803
221 HD3 LYS 33 2HD LYS 33 6.636 2.207 7.069
222 HE2 LYS 33 1HE LYS 33 7.046 -0.189 6.077
223 HE3 LYS 33 2HE LYS 33 8.707 0.114 6.586
224 HZ1 LYS 33 3HZ LYS 33 8.154 0.023 8.762
225 HZ2 LYS 33 1HZ LYS 33 6.902 -0.956 8.180
226 HZ3 LYS 33 2HZ LYS 33 6.609 0.673 8.531
227 H ILE 34 H ILE 34 5.394 5.207 2.722
228 HA ILE 34 HA ILE 34 6.162 7.833 3.339
229 HB ILE 34 HB ILE 34 5.402 8.462 1.175
230 HG12 ILE 34 1HG1 ILE 34 3.848 5.872 1.032
231 HG13 ILE 34 2HG1 ILE 34 3.127 7.427 1.428
232 HG21 ILE 34 1HG2 ILE 34 6.720 5.854 1.511
233 HG22 ILE 34 2HG2 ILE 34 6.086 6.182 -0.101
234 HG23 ILE 34 3HG2 ILE 34 7.246 7.290 0.633
235 HD11 ILE 34 3HD1 ILE 34 4.218 6.451 -1.166
236 HD12 ILE 34 1HD1 ILE 34 2.680 7.239 -0.815
237 HD13 ILE 34 2HD1 ILE 34 4.171 8.181 -0.826
238 H HIS 35 H HIS 35 3.156 6.178 3.727
239 HA HIS 35 HA HIS 35 1.647 8.647 4.058
240 HB2 HIS 35 1HB HIS 35 0.830 5.741 4.218
241 HB3 HIS 35 2HB HIS 35 -0.274 7.088 4.477
242 HD1 HIS 35 HD1 HIS 35 -0.294 8.832 2.297
243 HD2 HIS 35 HD2 HIS 35 0.845 4.888 1.658
244 HE1 HIS 35 HE1 HIS 35 -0.569 8.445 -0.172
245 H THR 36 H THR 36 2.493 5.784 5.995
246 HA THR 36 HA THR 36 2.037 7.405 8.416
247 HB THR 36 HB THR 36 0.411 5.636 8.371
248 HG1 THR 36 HG1 THR 36 0.802 5.068 10.392
249 HG21 THR 36 3HG2 THR 36 2.398 4.189 7.031
250 HG22 THR 36 1HG2 THR 36 0.779 3.637 7.455
251 HG23 THR 36 2HG2 THR 36 2.129 3.329 8.546
252 H GLY 37 H GLY 37 3.662 7.582 9.859
253 HA2 GLY 37 1HA GLY 37 5.634 5.827 10.532
254 HA3 GLY 37 2HA GLY 37 6.267 6.623 9.098
255 H GLU 38 H GLU 38 7.846 7.023 11.066
256 HA GLU 38 HA GLU 38 7.071 9.546 12.368
257 HB2 GLU 38 1HB GLU 38 8.909 9.065 13.966
258 HB3 GLU 38 2HB GLU 38 7.649 7.839 13.972
259 HG2 GLU 38 1HG GLU 38 9.007 6.326 12.736
260 HG3 GLU 38 2HG GLU 38 10.219 7.570 12.437
261 H LYS 39 H LYS 39 8.097 9.171 9.606
262 HA LYS 39 HA LYS 39 10.247 11.137 9.780
263 HB2 LYS 39 1HB LYS 39 10.459 8.537 8.255
264 HB3 LYS 39 2HB LYS 39 11.550 9.899 8.034
265 HG2 LYS 39 1HG LYS 39 11.904 9.670 10.607
266 HG3 LYS 39 2HG LYS 39 11.289 8.036 10.346
267 HD2 LYS 39 1HD LYS 39 13.439 9.069 8.558
268 HD3 LYS 39 2HD LYS 39 13.864 8.558 10.193
269 HE2 LYS 39 1HE LYS 39 12.274 6.827 8.318
270 HE3 LYS 39 2HE LYS 39 14.036 6.808 8.356
271 HZ1 LYS 39 3HZ LYS 39 14.074 5.858 10.421
272 HZ2 LYS 39 1HZ LYS 39 12.666 5.154 9.801
273 HZ3 LYS 39 2HZ LYS 39 12.558 6.462 10.868
274 HA PRO 40 HA PRO 40 7.984 12.992 6.492
275 HB2 PRO 40 1HB PRO 40 9.931 14.586 5.472
276 HB3 PRO 40 2HB PRO 40 9.116 14.925 7.003
277 HG2 PRO 40 1HG PRO 40 11.780 13.649 6.517
278 HG3 PRO 40 2HG PRO 40 11.326 14.866 7.724
279 HD2 PRO 40 1HD PRO 40 11.571 12.238 8.326
280 HD3 PRO 40 2HD PRO 40 10.405 13.299 9.141
281 H SER 41 H SER 41 11.303 12.024 5.598
282 HA SER 41 HA SER 41 12.126 11.388 3.530
283 HB2 SER 41 1HB SER 41 11.389 9.151 2.974
284 HB3 SER 41 2HB SER 41 11.417 9.312 4.730
285 HG SER 41 HG SER 41 9.062 9.954 4.319
286 H GLY 42 H GLY 42 10.449 13.539 3.104
287 HA2 GLY 42 1HA GLY 42 8.844 12.741 0.762
288 HA3 GLY 42 2HA GLY 42 8.602 14.212 1.693
289 HA PRO 43 HA PRO 43 12.523 14.755 -1.141
290 HB2 PRO 43 1HB PRO 43 12.545 13.143 -3.325
291 HB3 PRO 43 2HB PRO 43 13.329 12.708 -1.803
292 HG2 PRO 43 1HG PRO 43 10.666 11.858 -2.872
293 HG3 PRO 43 2HG PRO 43 11.908 10.885 -2.062
294 HD2 PRO 43 1HD PRO 43 9.707 11.799 -0.778
295 HD3 PRO 43 2HD PRO 43 11.270 11.590 0.037
296 H SER 44 H SER 44 12.659 15.210 -3.719
297 HA SER 44 HA SER 44 10.517 17.025 -4.227
298 HB2 SER 44 1HB SER 44 13.069 17.088 -4.944
299 HB3 SER 44 2HB SER 44 12.450 16.270 -6.378
300 HG SER 44 HG SER 44 11.372 18.688 -5.362
301 H SER 45 H SER 45 8.967 16.976 -5.853
302 HA SER 45 HA SER 45 7.492 14.789 -6.307
303 HB2 SER 45 1HB SER 45 7.050 17.167 -7.118
304 HB3 SER 45 2HB SER 45 7.980 16.744 -8.555
305 HG SER 45 HG SER 45 6.361 14.811 -8.429
306 H GLY 46 H GLY 46 7.342 13.094 -7.768
307 HA2 GLY 46 1HA GLY 46 9.733 11.895 -8.592
308 HA3 GLY 46 2HA GLY 46 8.127 11.424 -9.130
Start of MODEL 9
1 H1 GLY 1 H GLY 1 -11.597 4.026 -27.363
2 HA2 GLY 1 1HA GLY 1 -9.068 5.185 -27.892
3 HA3 GLY 1 2HA GLY 1 -10.081 6.339 -27.039
4 H SER 2 H SER 2 -7.614 4.617 -26.374
5 HA SER 2 HA SER 2 -8.515 3.957 -23.681
6 HB2 SER 2 1HB SER 2 -7.511 1.982 -25.677
7 HB3 SER 2 2HB SER 2 -6.989 1.797 -24.003
8 HG SER 2 HG SER 2 -8.854 0.687 -24.092
9 H SER 3 H SER 3 -7.053 4.486 -22.170
10 HA SER 3 HA SER 3 -4.267 4.922 -23.004
11 HB2 SER 3 1HB SER 3 -5.606 7.080 -22.877
12 HB3 SER 3 2HB SER 3 -5.733 6.795 -21.141
13 HG SER 3 HG SER 3 -3.750 7.445 -20.916
14 H GLY 4 H GLY 4 -3.157 3.437 -21.903
15 HA2 GLY 4 1HA GLY 4 -2.373 3.406 -19.393
16 HA3 GLY 4 2HA GLY 4 -3.984 2.735 -19.184
17 H SER 5 H SER 5 -0.799 2.201 -20.532
18 HA SER 5 HA SER 5 -1.444 -0.481 -21.411
19 HB2 SER 5 1HB SER 5 0.260 1.150 -22.490
20 HB3 SER 5 2HB SER 5 1.344 0.629 -21.201
21 HG SER 5 HG SER 5 1.731 -0.793 -22.790
22 H SER 6 H SER 6 0.590 1.012 -18.908
23 HA SER 6 HA SER 6 1.149 -1.565 -17.707
24 HB2 SER 6 1HB SER 6 2.555 -0.339 -16.161
25 HB3 SER 6 2HB SER 6 2.860 0.253 -17.794
26 HG SER 6 HG SER 6 1.026 1.814 -17.039
27 H GLY 7 H GLY 7 -0.314 -2.514 -16.457
28 HA2 GLY 7 1HA GLY 7 -1.257 -2.139 -14.109
29 HA3 GLY 7 2HA GLY 7 -2.123 -0.812 -14.868
30 H THR 8 H THR 8 -1.486 -4.136 -15.960
31 HA THR 8 HA THR 8 -4.399 -4.487 -16.239
32 HB THR 8 HB THR 8 -3.904 -6.138 -18.012
33 HG1 THR 8 HG1 THR 8 -1.288 -5.522 -17.245
34 HG21 THR 8 3HG2 THR 8 -4.344 -3.762 -18.563
35 HG22 THR 8 1HG2 THR 8 -3.294 -4.553 -19.738
36 HG23 THR 8 2HG2 THR 8 -2.607 -3.461 -18.535
37 H GLY 9 H GLY 9 -3.194 -4.996 -13.781
38 HA2 GLY 9 1HA GLY 9 -3.678 -7.878 -13.579
39 HA3 GLY 9 2HA GLY 9 -2.150 -7.263 -12.965
40 H GLU 10 H GLU 10 -4.916 -8.370 -11.891
41 HA GLU 10 HA GLU 10 -5.588 -6.281 -9.994
42 HB2 GLU 10 1HB GLU 10 -7.221 -7.936 -11.150
43 HB3 GLU 10 2HB GLU 10 -6.684 -9.076 -9.925
44 HG2 GLU 10 1HG GLU 10 -7.620 -7.857 -8.193
45 HG3 GLU 10 2HG GLU 10 -7.685 -6.372 -9.141
46 H LYS 11 H LYS 11 -3.776 -6.081 -8.693
47 HA LYS 11 HA LYS 11 -2.449 -8.272 -7.476
48 HB2 LYS 11 1HB LYS 11 -2.448 -5.308 -7.095
49 HB3 LYS 11 2HB LYS 11 -1.714 -6.319 -5.857
50 HG2 LYS 11 1HG LYS 11 0.086 -5.842 -7.196
51 HG3 LYS 11 2HG LYS 11 -0.448 -7.387 -7.863
52 HD2 LYS 11 1HD LYS 11 -1.889 -5.874 -9.436
53 HD3 LYS 11 2HD LYS 11 -0.713 -4.634 -8.994
54 HE2 LYS 11 1HE LYS 11 0.295 -7.297 -9.857
55 HE3 LYS 11 2HE LYS 11 -0.353 -6.211 -11.086
56 HZ1 LYS 11 3HZ LYS 11 2.151 -6.127 -10.454
57 HZ2 LYS 11 1HZ LYS 11 1.611 -5.181 -9.160
58 HZ3 LYS 11 2HZ LYS 11 1.308 -4.691 -10.750
59 HA PRO 12 HA PRO 12 -5.164 -9.251 -4.154
60 HB2 PRO 12 1HB PRO 12 -3.373 -10.340 -2.429
61 HB3 PRO 12 2HB PRO 12 -3.918 -11.164 -3.895
62 HG2 PRO 12 1HG PRO 12 -1.401 -9.615 -3.417
63 HG3 PRO 12 2HG PRO 12 -1.622 -11.158 -4.262
64 HD2 PRO 12 1HD PRO 12 -1.345 -8.805 -5.573
65 HD3 PRO 12 2HD PRO 12 -2.337 -10.137 -6.201
66 H TYR 13 H TYR 13 -2.309 -7.296 -3.610
67 HA TYR 13 HA TYR 13 -3.436 -6.297 -1.090
68 HB2 TYR 13 1HB TYR 13 -0.672 -5.892 -2.251
69 HB3 TYR 13 2HB TYR 13 -1.217 -5.349 -0.667
70 HD1 TYR 13 HD1 TYR 13 -1.665 -6.995 1.120
71 HD2 TYR 13 HD2 TYR 13 -0.040 -8.170 -2.633
72 HE1 TYR 13 HE1 TYR 13 -0.970 -9.141 2.100
73 HE2 TYR 13 HE2 TYR 13 0.659 -10.320 -1.664
74 HH TYR 13 HH TYR 13 1.106 -11.338 0.425
75 H ARG 14 H ARG 14 -3.651 -4.060 -0.715
76 HA ARG 14 HA ARG 14 -3.281 -2.220 -2.928
77 HB2 ARG 14 1HB ARG 14 -5.616 -3.397 -3.035
78 HB3 ARG 14 2HB ARG 14 -6.018 -2.308 -1.714
79 HG2 ARG 14 1HG ARG 14 -5.013 -0.511 -3.376
80 HG3 ARG 14 2HG ARG 14 -5.491 -1.719 -4.570
81 HD2 ARG 14 1HD ARG 14 -7.763 -1.729 -3.513
82 HD3 ARG 14 2HD ARG 14 -7.243 -0.361 -2.530
83 HE ARG 14 HE ARG 14 -6.752 0.303 -5.180
84 HH11 ARG 14 1HH1 ARG 14 -9.486 -0.422 -3.150
85 HH12 ARG 14 2HH1 ARG 14 -10.584 0.570 -4.052
86 HH21 ARG 14 1HH2 ARG 14 -8.187 1.612 -6.375
87 HH22 ARG 14 2HH2 ARG 14 -9.844 1.726 -5.887
88 H CYS 15 H CYS 15 -2.967 -0.143 -2.270
89 HA CYS 15 HA CYS 15 -2.540 0.290 0.537
90 HB2 CYS 15 1HB CYS 15 -1.123 1.218 -1.372
91 HB3 CYS 15 2HB CYS 15 -2.418 2.382 -1.633
92 H ALA 16 H ALA 16 -4.043 0.910 1.926
93 HA ALA 16 HA ALA 16 -6.583 1.933 1.015
94 HB1 ALA 16 3HB ALA 16 -5.662 1.622 3.864
95 HB2 ALA 16 1HB ALA 16 -7.318 1.697 3.262
96 HB3 ALA 16 2HB ALA 16 -6.310 0.295 2.901
97 H GLU 17 H GLU 17 -3.868 3.470 1.014
98 HA GLU 17 HA GLU 17 -4.824 5.876 2.413
99 HB2 GLU 17 1HB GLU 17 -2.041 5.102 1.525
100 HB3 GLU 17 2HB GLU 17 -2.458 6.655 2.235
101 HG2 GLU 17 1HG GLU 17 -1.505 5.262 3.925
102 HG3 GLU 17 2HG GLU 17 -3.221 5.476 4.268
103 H CYS 18 H CYS 18 -3.210 4.843 -0.586
104 HA CYS 18 HA CYS 18 -4.251 7.271 -1.887
105 HB2 CYS 18 1HB CYS 18 -2.453 6.889 -3.581
106 HB3 CYS 18 2HB CYS 18 -1.844 7.222 -1.963
107 H GLY 19 H GLY 19 -3.673 3.799 -2.370
108 HA2 GLY 19 1HA GLY 19 -5.599 2.519 -3.237
109 HA3 GLY 19 2HA GLY 19 -5.844 3.835 -4.377
110 H LYS 20 H LYS 20 -2.698 2.536 -3.528
111 HA LYS 20 HA LYS 20 -2.187 1.952 -6.316
112 HB2 LYS 20 1HB LYS 20 -0.558 2.169 -3.838
113 HB3 LYS 20 2HB LYS 20 0.068 1.146 -5.123
114 HG2 LYS 20 1HG LYS 20 -0.169 3.078 -6.680
115 HG3 LYS 20 2HG LYS 20 -0.594 4.076 -5.287
116 HD2 LYS 20 1HD LYS 20 1.707 4.426 -5.601
117 HD3 LYS 20 2HD LYS 20 1.604 3.281 -4.262
118 HE2 LYS 20 1HE LYS 20 3.316 2.512 -5.726
119 HE3 LYS 20 2HE LYS 20 1.930 1.441 -5.931
120 HZ1 LYS 20 3HZ LYS 20 2.017 3.716 -7.724
121 HZ2 LYS 20 1HZ LYS 20 1.626 2.101 -8.040
122 HZ3 LYS 20 2HZ LYS 20 3.247 2.577 -7.953
123 H ALA 21 H ALA 21 -1.049 -0.125 -6.877
124 HA ALA 21 HA ALA 21 -2.345 -2.375 -5.480
125 HB1 ALA 21 3HB ALA 21 -1.950 -1.795 -8.366
126 HB2 ALA 21 1HB ALA 21 -1.891 -3.477 -7.840
127 HB3 ALA 21 2HB ALA 21 -3.331 -2.506 -7.532
128 H PHE 22 H PHE 22 -1.102 -3.988 -4.732
129 HA PHE 22 HA PHE 22 1.699 -4.126 -5.614
130 HB2 PHE 22 1HB PHE 22 0.703 -4.180 -2.760
131 HB3 PHE 22 2HB PHE 22 2.340 -4.615 -3.240
132 HD1 PHE 22 HD2 PHE 22 -0.097 -1.850 -3.089
133 HD2 PHE 22 HD1 PHE 22 3.968 -2.965 -3.681
134 HE1 PHE 22 HE2 PHE 22 0.569 0.513 -2.938
135 HE2 PHE 22 HE1 PHE 22 4.641 -0.603 -3.529
136 HZ PHE 22 HZ PHE 22 2.941 1.140 -3.158
137 H THR 23 H THR 23 2.328 -6.107 -6.169
138 HA THR 23 HA THR 23 0.532 -8.292 -6.137
139 HB THR 23 HB THR 23 2.420 -9.632 -6.985
140 HG1 THR 23 HG1 THR 23 4.150 -8.758 -5.861
141 HG21 THR 23 3HG2 THR 23 3.036 -7.916 -8.898
142 HG22 THR 23 1HG2 THR 23 1.744 -6.976 -8.153
143 HG23 THR 23 2HG2 THR 23 1.414 -8.595 -8.768
144 H ASP 24 H ASP 24 3.311 -7.434 -4.136
145 HA ASP 24 HA ASP 24 2.686 -9.721 -2.387
146 HB2 ASP 24 1HB ASP 24 5.287 -8.237 -2.801
147 HB3 ASP 24 2HB ASP 24 5.033 -9.441 -1.541
148 H ARG 25 H ARG 25 3.209 -9.322 -0.045
149 HA ARG 25 HA ARG 25 1.858 -6.917 0.793
150 HB2 ARG 25 1HB ARG 25 1.681 -9.305 1.806
151 HB3 ARG 25 2HB ARG 25 3.154 -8.874 2.664
152 HG2 ARG 25 1HG ARG 25 2.066 -7.061 3.770
153 HG3 ARG 25 2HG ARG 25 0.622 -7.254 2.774
154 HD2 ARG 25 1HD ARG 25 0.420 -9.578 3.740
155 HD3 ARG 25 2HD ARG 25 1.682 -9.121 4.884
156 HE ARG 25 HE ARG 25 -0.174 -7.155 5.145
157 HH11 ARG 25 1HH1 ARG 25 -0.279 -10.630 5.316
158 HH12 ARG 25 2HH1 ARG 25 -1.586 -10.665 6.453
159 HH21 ARG 25 1HH2 ARG 25 -1.895 -7.187 6.642
160 HH22 ARG 25 2HH2 ARG 25 -2.505 -8.706 7.206
161 H SER 26 H SER 26 5.045 -8.368 1.465
162 HA SER 26 HA SER 26 6.193 -6.488 3.042
163 HB2 SER 26 1HB SER 26 7.186 -8.644 1.907
164 HB3 SER 26 2HB SER 26 7.805 -7.492 0.725
165 HG SER 26 HG SER 26 8.179 -6.881 3.415
166 H ASN 27 H ASN 27 5.925 -6.325 -0.493
167 HA ASN 27 HA ASN 27 7.315 -3.926 -0.867
168 HB2 ASN 27 1HB ASN 27 5.242 -5.413 -2.433
169 HB3 ASN 27 2HB ASN 27 5.687 -3.784 -2.935
170 HD21 ASN 27 1HD2 ASN 27 6.096 -6.367 -4.253
171 HD22 ASN 27 2HD2 ASN 27 7.797 -6.488 -4.531
172 H LEU 28 H LEU 28 3.893 -4.536 -0.204
173 HA LEU 28 HA LEU 28 2.975 -1.902 -0.484
174 HB2 LEU 28 1HB LEU 28 1.383 -3.647 -0.409
175 HB3 LEU 28 2HB LEU 28 1.991 -4.233 1.137
176 HG LEU 28 HG LEU 28 1.117 -2.172 2.207
177 HD11 LEU 28 1HD1 LEU 28 -0.694 -1.018 0.748
178 HD12 LEU 28 2HD1 LEU 28 0.266 -1.620 -0.603
179 HD13 LEU 28 3HD1 LEU 28 0.996 -0.538 0.583
180 HD21 LEU 28 3HD2 LEU 28 -0.835 -3.904 0.698
181 HD22 LEU 28 1HD2 LEU 28 -1.283 -2.806 2.004
182 HD23 LEU 28 2HD2 LEU 28 -0.206 -4.164 2.326
183 H PHE 29 H PHE 29 3.707 -3.664 2.534
184 HA PHE 29 HA PHE 29 3.402 -1.690 4.370
185 HB2 PHE 29 1HB PHE 29 5.312 -3.978 4.176
186 HB3 PHE 29 2HB PHE 29 5.535 -2.808 5.472
187 HD1 PHE 29 HD1 PHE 29 3.054 -2.153 6.526
188 HD2 PHE 29 HD2 PHE 29 4.251 -5.881 4.856
189 HE1 PHE 29 HE1 PHE 29 1.331 -3.299 7.858
190 HE2 PHE 29 HE2 PHE 29 2.530 -7.033 6.185
191 HZ PHE 29 HZ PHE 29 1.067 -5.742 7.688
192 H THR 30 H THR 30 6.344 -2.267 2.459
193 HA THR 30 HA THR 30 7.895 -0.199 3.509
194 HB THR 30 HB THR 30 7.946 -1.311 0.697
195 HG1 THR 30 HG1 THR 30 8.433 -2.984 2.010
196 HG21 THR 30 3HG2 THR 30 10.374 -0.215 1.995
197 HG22 THR 30 1HG2 THR 30 9.174 0.951 1.440
198 HG23 THR 30 2HG2 THR 30 9.887 -0.191 0.301
199 H HIS 31 H HIS 31 5.530 -0.189 0.889
200 HA HIS 31 HA HIS 31 6.050 2.480 0.051
201 HB2 HIS 31 1HB HIS 31 4.998 1.140 -1.563
202 HB3 HIS 31 2HB HIS 31 3.804 0.537 -0.417
203 HD1 HIS 31 HD1 HIS 31 4.628 3.591 -2.464
204 HD2 HIS 31 HD2 HIS 31 1.494 2.032 -0.227
205 HE1 HIS 31 HE1 HIS 31 2.660 5.087 -2.930
206 H GLN 32 H GLN 32 3.610 1.014 2.168
207 HA GLN 32 HA GLN 32 2.023 3.193 2.700
208 HB2 GLN 32 1HB GLN 32 2.910 0.981 4.553
209 HB3 GLN 32 2HB GLN 32 1.652 2.140 4.960
210 HG2 GLN 32 1HG GLN 32 0.510 1.372 2.804
211 HG3 GLN 32 2HG GLN 32 1.629 0.011 2.855
212 HE21 GLN 32 1HE2 GLN 32 -1.402 0.679 3.431
213 HE22 GLN 32 2HE2 GLN 32 -1.723 -0.304 4.814
214 H LYS 33 H LYS 33 5.311 2.764 3.491
215 HA LYS 33 HA LYS 33 5.652 4.200 5.823
216 HB2 LYS 33 1HB LYS 33 7.378 3.961 3.366
217 HB3 LYS 33 2HB LYS 33 7.898 4.873 4.777
218 HG2 LYS 33 1HG LYS 33 7.350 2.680 6.063
219 HG3 LYS 33 2HG LYS 33 7.484 1.935 4.469
220 HD2 LYS 33 1HD LYS 33 9.610 3.698 5.676
221 HD3 LYS 33 2HD LYS 33 9.599 1.939 5.822
222 HE2 LYS 33 1HE LYS 33 9.954 1.630 3.538
223 HE3 LYS 33 2HE LYS 33 9.426 3.264 3.139
224 HZ1 LYS 33 3HZ LYS 33 11.524 3.782 4.691
225 HZ2 LYS 33 1HZ LYS 33 11.626 3.624 3.009
226 HZ3 LYS 33 2HZ LYS 33 12.028 2.319 4.007
227 H ILE 34 H ILE 34 5.459 5.439 2.500
228 HA ILE 34 HA ILE 34 5.887 8.142 3.088
229 HB ILE 34 HB ILE 34 4.911 8.651 0.945
230 HG12 ILE 34 1HG1 ILE 34 4.069 5.825 0.485
231 HG13 ILE 34 2HG1 ILE 34 3.013 6.860 1.440
232 HG21 ILE 34 1HG2 ILE 34 6.702 6.305 1.211
233 HG22 ILE 34 2HG2 ILE 34 6.058 6.658 -0.391
234 HG23 ILE 34 3HG2 ILE 34 6.995 7.878 0.470
235 HD11 ILE 34 3HD1 ILE 34 3.120 8.501 -0.480
236 HD12 ILE 34 1HD1 ILE 34 3.864 7.203 -1.414
237 HD13 ILE 34 2HD1 ILE 34 2.235 7.002 -0.766
238 H HIS 35 H HIS 35 3.343 6.168 4.008
239 HA HIS 35 HA HIS 35 1.481 8.432 4.247
240 HB2 HIS 35 1HB HIS 35 0.979 5.454 4.392
241 HB3 HIS 35 2HB HIS 35 -0.250 6.684 4.671
242 HD1 HIS 35 HD1 HIS 35 -0.198 8.511 2.438
243 HD2 HIS 35 HD2 HIS 35 0.749 4.503 1.887
244 HE1 HIS 35 HE1 HIS 35 -0.549 8.068 -0.013
245 H THR 36 H THR 36 2.582 5.582 6.085
246 HA THR 36 HA THR 36 1.509 6.198 8.546
247 HB THR 36 HB THR 36 3.783 5.076 9.386
248 HG1 THR 36 HG1 THR 36 4.390 5.305 6.945
249 HG21 THR 36 3HG2 THR 36 2.708 2.836 8.614
250 HG22 THR 36 1HG2 THR 36 1.405 3.867 8.024
251 HG23 THR 36 2HG2 THR 36 1.829 3.874 9.736
252 H GLY 37 H GLY 37 1.707 7.925 9.803
253 HA2 GLY 37 1HA GLY 37 3.826 8.972 11.034
254 HA3 GLY 37 2HA GLY 37 3.969 9.724 9.452
255 H GLU 38 H GLU 38 3.680 11.271 11.699
256 HA GLU 38 HA GLU 38 0.914 11.975 12.082
257 HB2 GLU 38 1HB GLU 38 2.775 12.176 13.817
258 HB3 GLU 38 2HB GLU 38 3.308 13.598 12.930
259 HG2 GLU 38 1HG GLU 38 1.350 14.784 13.433
260 HG3 GLU 38 2HG GLU 38 0.502 13.327 13.950
261 H LYS 39 H LYS 39 -0.174 13.729 11.289
262 HA LYS 39 HA LYS 39 1.153 15.736 9.703
263 HB2 LYS 39 1HB LYS 39 0.204 15.261 7.605
264 HB3 LYS 39 2HB LYS 39 0.798 13.710 8.182
265 HG2 LYS 39 1HG LYS 39 -1.393 12.988 8.749
266 HG3 LYS 39 2HG LYS 39 -2.057 14.603 8.488
267 HD2 LYS 39 1HD LYS 39 -0.667 13.181 6.254
268 HD3 LYS 39 2HD LYS 39 -2.336 12.771 6.655
269 HE2 LYS 39 1HE LYS 39 -3.066 14.997 6.239
270 HE3 LYS 39 2HE LYS 39 -1.409 15.587 6.130
271 HZ1 LYS 39 3HZ LYS 39 -2.581 15.263 3.960
272 HZ2 LYS 39 1HZ LYS 39 -2.539 13.596 4.248
273 HZ3 LYS 39 2HZ LYS 39 -1.096 14.464 4.092
274 HA PRO 40 HA PRO 40 -2.239 18.117 11.171
275 HB2 PRO 40 1HB PRO 40 -2.232 20.122 9.340
276 HB3 PRO 40 2HB PRO 40 -1.005 19.970 10.603
277 HG2 PRO 40 1HG PRO 40 -0.872 19.160 7.724
278 HG3 PRO 40 2HG PRO 40 0.353 19.973 8.715
279 HD2 PRO 40 1HD PRO 40 0.442 17.321 8.175
280 HD3 PRO 40 2HD PRO 40 1.045 18.007 9.698
281 H SER 41 H SER 41 -3.908 16.576 10.732
282 HA SER 41 HA SER 41 -5.106 16.133 8.252
283 HB2 SER 41 1HB SER 41 -5.470 14.840 10.417
284 HB3 SER 41 2HB SER 41 -6.596 16.115 10.880
285 HG SER 41 HG SER 41 -6.926 14.979 8.360
286 H GLY 42 H GLY 42 -7.401 16.768 7.695
287 HA2 GLY 42 1HA GLY 42 -9.002 18.705 8.381
288 HA3 GLY 42 2HA GLY 42 -7.610 19.685 7.945
289 HA PRO 43 HA PRO 43 -10.365 18.496 4.223
290 HB2 PRO 43 1HB PRO 43 -11.805 20.787 3.995
291 HB3 PRO 43 2HB PRO 43 -12.353 19.398 4.942
292 HG2 PRO 43 1HG PRO 43 -11.026 21.916 5.868
293 HG3 PRO 43 2HG PRO 43 -12.399 21.047 6.580
294 HD2 PRO 43 1HD PRO 43 -9.880 20.838 7.551
295 HD3 PRO 43 2HD PRO 43 -11.043 19.498 7.615
296 H SER 44 H SER 44 -8.213 18.719 3.307
297 HA SER 44 HA SER 44 -7.929 21.251 1.859
298 HB2 SER 44 1HB SER 44 -6.371 20.957 3.966
299 HB3 SER 44 2HB SER 44 -5.448 19.920 2.879
300 HG SER 44 HG SER 44 -6.241 22.446 1.972
301 H SER 45 H SER 45 -6.359 21.042 0.023
302 HA SER 45 HA SER 45 -6.025 18.320 -0.973
303 HB2 SER 45 1HB SER 45 -7.574 20.467 -2.438
304 HB3 SER 45 2HB SER 45 -7.001 18.978 -3.190
305 HG SER 45 HG SER 45 -8.739 18.092 -2.440
306 H GLY 46 H GLY 46 -4.708 18.283 -3.004
307 HA2 GLY 46 1HA GLY 46 -3.316 20.334 -4.138
308 HA3 GLY 46 2HA GLY 46 -2.427 20.002 -2.660
Start of MODEL 10
1 H1 GLY 1 H GLY 1 -8.355 12.695 -26.948
2 HA2 GLY 1 1HA GLY 1 -8.038 12.200 -24.262
3 HA3 GLY 1 2HA GLY 1 -9.751 11.949 -24.565
4 H SER 2 H SER 2 -10.154 9.848 -24.680
5 HA SER 2 HA SER 2 -10.054 7.659 -25.290
6 HB2 SER 2 1HB SER 2 -9.996 8.586 -27.584
7 HB3 SER 2 2HB SER 2 -8.237 8.659 -27.497
8 HG SER 2 HG SER 2 -8.644 6.249 -26.896
9 H SER 3 H SER 3 -8.351 8.481 -23.257
10 HA SER 3 HA SER 3 -5.812 7.109 -23.758
11 HB2 SER 3 1HB SER 3 -5.857 9.393 -22.679
12 HB3 SER 3 2HB SER 3 -6.623 8.641 -21.280
13 HG SER 3 HG SER 3 -4.205 8.876 -21.346
14 H GLY 4 H GLY 4 -5.647 5.034 -23.253
15 HA2 GLY 4 1HA GLY 4 -7.193 4.032 -20.944
16 HA3 GLY 4 2HA GLY 4 -7.092 3.126 -22.447
17 H SER 5 H SER 5 -4.933 2.410 -23.131
18 HA SER 5 HA SER 5 -3.204 0.987 -22.604
19 HB2 SER 5 1HB SER 5 -1.276 2.169 -21.729
20 HB3 SER 5 2HB SER 5 -2.165 3.246 -22.805
21 HG SER 5 HG SER 5 -2.412 4.548 -21.188
22 H SER 6 H SER 6 -5.336 0.438 -20.939
23 HA SER 6 HA SER 6 -3.928 -0.467 -18.543
24 HB2 SER 6 1HB SER 6 -6.587 0.980 -18.481
25 HB3 SER 6 2HB SER 6 -5.841 0.173 -17.102
26 HG SER 6 HG SER 6 -3.968 1.683 -17.841
27 H GLY 7 H GLY 7 -4.631 -2.424 -17.741
28 HA2 GLY 7 1HA GLY 7 -7.078 -3.635 -18.661
29 HA3 GLY 7 2HA GLY 7 -5.641 -4.333 -19.393
30 H THR 8 H THR 8 -6.133 -6.338 -18.397
31 HA THR 8 HA THR 8 -6.678 -6.945 -15.817
32 HB THR 8 HB THR 8 -5.369 -9.035 -16.088
33 HG1 THR 8 HG1 THR 8 -4.630 -8.025 -18.640
34 HG21 THR 8 3HG2 THR 8 -7.025 -9.870 -17.339
35 HG22 THR 8 1HG2 THR 8 -6.551 -8.913 -18.742
36 HG23 THR 8 2HG2 THR 8 -7.598 -8.211 -17.508
37 H GLY 9 H GLY 9 -5.851 -6.121 -14.009
38 HA2 GLY 9 1HA GLY 9 -3.101 -6.515 -13.342
39 HA3 GLY 9 2HA GLY 9 -3.444 -4.824 -13.677
40 H GLU 10 H GLU 10 -5.211 -7.412 -11.975
41 HA GLU 10 HA GLU 10 -5.692 -5.526 -9.783
42 HB2 GLU 10 1HB GLU 10 -7.636 -6.674 -10.839
43 HB3 GLU 10 2HB GLU 10 -6.983 -8.212 -10.293
44 HG2 GLU 10 1HG GLU 10 -8.716 -7.505 -8.796
45 HG3 GLU 10 2HG GLU 10 -7.164 -7.431 -7.965
46 H LYS 11 H LYS 11 -4.133 -5.591 -8.295
47 HA LYS 11 HA LYS 11 -2.744 -8.062 -7.685
48 HB2 LYS 11 1HB LYS 11 -2.449 -5.254 -6.606
49 HB3 LYS 11 2HB LYS 11 -1.448 -6.611 -6.105
50 HG2 LYS 11 1HG LYS 11 -1.639 -5.472 -8.886
51 HG3 LYS 11 2HG LYS 11 -0.300 -5.262 -7.755
52 HD2 LYS 11 1HD LYS 11 -0.053 -7.768 -7.755
53 HD3 LYS 11 2HD LYS 11 -1.209 -7.807 -9.088
54 HE2 LYS 11 1HE LYS 11 0.369 -6.131 -10.230
55 HE3 LYS 11 2HE LYS 11 1.550 -6.628 -9.020
56 HZ1 LYS 11 3HZ LYS 11 1.780 -7.903 -11.058
57 HZ2 LYS 11 1HZ LYS 11 0.178 -8.434 -10.938
58 HZ3 LYS 11 2HZ LYS 11 1.315 -8.909 -9.780
59 HA PRO 12 HA PRO 12 -5.105 -9.241 -4.175
60 HB2 PRO 12 1HB PRO 12 -3.189 -10.408 -2.646
61 HB3 PRO 12 2HB PRO 12 -3.829 -11.151 -4.117
62 HG2 PRO 12 1HG PRO 12 -1.296 -9.604 -3.723
63 HG3 PRO 12 2HG PRO 12 -1.564 -11.097 -4.641
64 HD2 PRO 12 1HD PRO 12 -1.397 -8.667 -5.826
65 HD3 PRO 12 2HD PRO 12 -2.420 -9.972 -6.462
66 H TYR 13 H TYR 13 -2.229 -7.293 -3.711
67 HA TYR 13 HA TYR 13 -3.287 -6.372 -1.122
68 HB2 TYR 13 1HB TYR 13 -0.466 -6.055 -2.158
69 HB3 TYR 13 2HB TYR 13 -1.044 -5.717 -0.530
70 HD1 TYR 13 HD1 TYR 13 -1.739 -7.616 0.942
71 HD2 TYR 13 HD2 TYR 13 0.184 -8.244 -2.801
72 HE1 TYR 13 HE1 TYR 13 -1.177 -9.912 1.622
73 HE2 TYR 13 HE2 TYR 13 0.750 -10.542 -2.132
74 HH TYR 13 HH TYR 13 0.501 -12.124 -0.589
75 H ARG 14 H ARG 14 -3.833 -4.285 -0.849
76 HA ARG 14 HA ARG 14 -3.091 -2.354 -2.934
77 HB2 ARG 14 1HB ARG 14 -5.512 -3.385 -3.050
78 HB3 ARG 14 2HB ARG 14 -5.834 -2.248 -1.747
79 HG2 ARG 14 1HG ARG 14 -4.763 -0.511 -3.359
80 HG3 ARG 14 2HG ARG 14 -5.135 -1.713 -4.596
81 HD2 ARG 14 1HD ARG 14 -7.266 -0.976 -2.658
82 HD3 ARG 14 2HD ARG 14 -6.858 0.179 -3.926
83 HE ARG 14 HE ARG 14 -7.768 -1.249 -5.494
84 HH11 ARG 14 1HH1 ARG 14 -7.559 -2.836 -2.403
85 HH12 ARG 14 2HH1 ARG 14 -8.542 -4.180 -2.880
86 HH21 ARG 14 1HH2 ARG 14 -9.064 -3.013 -6.134
87 HH22 ARG 14 2HH2 ARG 14 -9.397 -4.280 -5.003
88 H CYS 15 H CYS 15 -3.190 -0.128 -2.261
89 HA CYS 15 HA CYS 15 -2.495 0.171 0.545
90 HB2 CYS 15 1HB CYS 15 -1.177 1.188 -1.392
91 HB3 CYS 15 2HB CYS 15 -2.499 2.339 -1.551
92 H ALA 16 H ALA 16 -3.825 0.932 2.050
93 HA ALA 16 HA ALA 16 -6.464 1.866 1.274
94 HB1 ALA 16 3HB ALA 16 -6.902 1.795 3.737
95 HB2 ALA 16 1HB ALA 16 -6.425 0.253 3.027
96 HB3 ALA 16 2HB ALA 16 -5.256 1.198 3.950
97 H GLU 17 H GLU 17 -4.023 3.528 0.865
98 HA GLU 17 HA GLU 17 -4.871 5.867 2.444
99 HB2 GLU 17 1HB GLU 17 -2.109 5.004 1.610
100 HB3 GLU 17 2HB GLU 17 -2.464 6.664 2.068
101 HG2 GLU 17 1HG GLU 17 -3.274 4.491 3.921
102 HG3 GLU 17 2HG GLU 17 -1.565 4.906 3.807
103 H CYS 18 H CYS 18 -3.367 4.819 -0.600
104 HA CYS 18 HA CYS 18 -4.497 7.220 -1.882
105 HB2 CYS 18 1HB CYS 18 -2.669 6.960 -3.573
106 HB3 CYS 18 2HB CYS 18 -2.097 7.349 -1.954
107 H GLY 19 H GLY 19 -3.592 3.826 -2.464
108 HA2 GLY 19 1HA GLY 19 -5.470 2.419 -3.315
109 HA3 GLY 19 2HA GLY 19 -5.761 3.712 -4.469
110 H LYS 20 H LYS 20 -2.678 2.299 -3.443
111 HA LYS 20 HA LYS 20 -2.009 1.845 -6.244
112 HB2 LYS 20 1HB LYS 20 -0.479 2.104 -3.708
113 HB3 LYS 20 2HB LYS 20 0.222 1.098 -4.968
114 HG2 LYS 20 1HG LYS 20 -0.005 3.022 -6.534
115 HG3 LYS 20 2HG LYS 20 -0.515 4.008 -5.162
116 HD2 LYS 20 1HD LYS 20 1.736 4.467 -5.211
117 HD3 LYS 20 2HD LYS 20 1.702 3.106 -4.089
118 HE2 LYS 20 1HE LYS 20 3.402 2.476 -5.503
119 HE3 LYS 20 2HE LYS 20 2.019 1.688 -6.261
120 HZ1 LYS 20 3HZ LYS 20 2.496 4.379 -7.179
121 HZ2 LYS 20 1HZ LYS 20 2.185 2.972 -8.065
122 HZ3 LYS 20 2HZ LYS 20 3.754 3.305 -7.531
123 H ALA 21 H ALA 21 -1.021 -0.179 -6.921
124 HA ALA 21 HA ALA 21 -2.276 -2.469 -5.576
125 HB1 ALA 21 3HB ALA 21 -1.850 -3.634 -7.770
126 HB2 ALA 21 1HB ALA 21 -3.010 -2.306 -7.821
127 HB3 ALA 21 2HB ALA 21 -1.366 -2.066 -8.415
128 H PHE 22 H PHE 22 -1.106 -4.206 -4.897
129 HA PHE 22 HA PHE 22 1.767 -4.274 -5.454
130 HB2 PHE 22 1HB PHE 22 0.546 -4.307 -2.688
131 HB3 PHE 22 2HB PHE 22 2.219 -4.732 -3.034
132 HD1 PHE 22 HD2 PHE 22 -0.245 -1.980 -3.184
133 HD2 PHE 22 HD1 PHE 22 3.866 -3.078 -3.275
134 HE1 PHE 22 HE2 PHE 22 0.389 0.390 -3.000
135 HE2 PHE 22 HE1 PHE 22 4.506 -0.710 -3.091
136 HZ PHE 22 HZ PHE 22 2.767 1.028 -2.955
137 H THR 23 H THR 23 2.474 -6.265 -5.886
138 HA THR 23 HA THR 23 0.619 -8.473 -5.755
139 HB THR 23 HB THR 23 2.073 -8.186 -7.723
140 HG1 THR 23 HG1 THR 23 2.963 -10.437 -7.595
141 HG21 THR 23 3HG2 THR 23 4.120 -7.373 -7.093
142 HG22 THR 23 1HG2 THR 23 4.516 -9.085 -7.236
143 HG23 THR 23 2HG2 THR 23 4.200 -8.383 -5.649
144 H ASP 24 H ASP 24 3.230 -7.258 -3.873
145 HA ASP 24 HA ASP 24 3.131 -9.682 -2.202
146 HB2 ASP 24 1HB ASP 24 5.300 -9.275 -3.546
147 HB3 ASP 24 2HB ASP 24 5.590 -7.960 -2.412
148 H ARG 25 H ARG 25 3.068 -9.393 0.001
149 HA ARG 25 HA ARG 25 1.909 -7.033 0.979
150 HB2 ARG 25 1HB ARG 25 1.963 -9.485 1.932
151 HB3 ARG 25 2HB ARG 25 3.368 -8.895 2.809
152 HG2 ARG 25 1HG ARG 25 2.063 -7.204 3.889
153 HG3 ARG 25 2HG ARG 25 0.658 -7.590 2.893
154 HD2 ARG 25 1HD ARG 25 0.124 -8.750 4.786
155 HD3 ARG 25 2HD ARG 25 1.026 -9.991 3.918
156 HE ARG 25 HE ARG 25 1.827 -8.617 6.331
157 HH11 ARG 25 1HH1 ARG 25 2.836 -10.539 3.609
158 HH12 ARG 25 2HH1 ARG 25 4.272 -11.120 4.385
159 HH21 ARG 25 1HH2 ARG 25 3.714 -9.376 7.364
160 HH22 ARG 25 2HH2 ARG 25 4.770 -10.458 6.521
161 H SER 26 H SER 26 5.171 -8.344 1.591
162 HA SER 26 HA SER 26 6.241 -6.365 3.122
163 HB2 SER 26 1HB SER 26 7.443 -8.425 2.442
164 HB3 SER 26 2HB SER 26 7.673 -7.739 0.833
165 HG SER 26 HG SER 26 9.505 -7.316 2.020
166 H ASN 27 H ASN 27 5.816 -6.325 -0.383
167 HA ASN 27 HA ASN 27 7.200 -3.927 -0.889
168 HB2 ASN 27 1HB ASN 27 4.909 -5.194 -2.408
169 HB3 ASN 27 2HB ASN 27 5.920 -3.886 -3.016
170 HD21 ASN 27 1HD2 ASN 27 6.115 -5.640 -4.714
171 HD22 ASN 27 2HD2 ASN 27 7.442 -6.733 -4.538
172 H LEU 28 H LEU 28 3.748 -4.560 -0.329
173 HA LEU 28 HA LEU 28 2.855 -1.919 -0.599
174 HB2 LEU 28 1HB LEU 28 1.266 -3.678 -0.625
175 HB3 LEU 28 2HB LEU 28 1.785 -4.260 0.955
176 HG LEU 28 HG LEU 28 0.861 -2.176 1.957
177 HD11 LEU 28 1HD1 LEU 28 -0.103 -1.738 -0.861
178 HD12 LEU 28 2HD1 LEU 28 0.914 -0.674 0.110
179 HD13 LEU 28 3HD1 LEU 28 -0.777 -0.917 0.547
180 HD21 LEU 28 3HD2 LEU 28 -1.019 -3.938 0.392
181 HD22 LEU 28 1HD2 LEU 28 -1.514 -2.841 1.681
182 HD23 LEU 28 2HD2 LEU 28 -0.440 -4.194 2.039
183 H PHE 29 H PHE 29 3.488 -3.737 2.407
184 HA PHE 29 HA PHE 29 3.111 -1.720 4.231
185 HB2 PHE 29 1HB PHE 29 4.808 -4.166 4.179
186 HB3 PHE 29 2HB PHE 29 5.108 -2.995 5.459
187 HD1 PHE 29 HD2 PHE 29 2.071 -4.425 3.819
188 HD2 PHE 29 HD1 PHE 29 4.132 -3.569 7.444
189 HE1 PHE 29 HE2 PHE 29 0.191 -5.356 5.104
190 HE2 PHE 29 HE1 PHE 29 2.255 -4.500 8.735
191 HZ PHE 29 HZ PHE 29 0.281 -5.393 7.565
192 H THR 30 H THR 30 5.958 -2.366 2.259
193 HA THR 30 HA THR 30 7.670 -0.486 3.498
194 HB THR 30 HB THR 30 7.762 -1.506 0.652
195 HG1 THR 30 HG1 THR 30 9.520 -2.808 1.860
196 HG21 THR 30 3HG2 THR 30 10.084 -0.528 2.288
197 HG22 THR 30 1HG2 THR 30 9.121 0.576 1.306
198 HG23 THR 30 2HG2 THR 30 9.982 -0.761 0.543
199 H HIS 31 H HIS 31 5.310 -0.245 0.908
200 HA HIS 31 HA HIS 31 6.077 2.403 0.121
201 HB2 HIS 31 1HB HIS 31 5.021 1.340 -1.627
202 HB3 HIS 31 2HB HIS 31 3.876 0.513 -0.574
203 HD1 HIS 31 HD1 HIS 31 4.409 3.726 -2.409
204 HD2 HIS 31 HD2 HIS 31 1.526 1.927 -0.018
205 HE1 HIS 31 HE1 HIS 31 2.353 5.153 -2.647
206 H GLN 32 H GLN 32 3.409 1.032 2.025
207 HA GLN 32 HA GLN 32 1.885 3.206 2.567
208 HB2 GLN 32 1HB GLN 32 2.705 0.882 4.266
209 HB3 GLN 32 2HB GLN 32 1.737 2.168 4.975
210 HG2 GLN 32 1HG GLN 32 0.194 1.789 2.927
211 HG3 GLN 32 2HG GLN 32 1.024 0.238 2.815
212 HE21 GLN 32 1HE2 GLN 32 -1.428 -0.201 3.170
213 HE22 GLN 32 2HE2 GLN 32 -1.875 -0.517 4.808
214 H LYS 33 H LYS 33 5.151 2.704 3.543
215 HA LYS 33 HA LYS 33 5.407 4.287 5.788
216 HB2 LYS 33 1HB LYS 33 7.283 3.845 3.469
217 HB3 LYS 33 2HB LYS 33 7.743 4.778 4.887
218 HG2 LYS 33 1HG LYS 33 6.931 2.618 6.156
219 HG3 LYS 33 2HG LYS 33 7.281 1.858 4.602
220 HD2 LYS 33 1HD LYS 33 9.258 3.643 5.998
221 HD3 LYS 33 2HD LYS 33 9.164 1.910 6.319
222 HE2 LYS 33 1HE LYS 33 9.417 1.575 3.821
223 HE3 LYS 33 2HE LYS 33 9.822 3.288 3.725
224 HZ1 LYS 33 3HZ LYS 33 11.283 1.237 5.301
225 HZ2 LYS 33 1HZ LYS 33 11.659 2.886 5.261
226 HZ3 LYS 33 2HZ LYS 33 11.812 1.949 3.861
227 H ILE 34 H ILE 34 5.306 5.274 2.395
228 HA ILE 34 HA ILE 34 5.946 7.965 2.691
229 HB ILE 34 HB ILE 34 4.843 8.362 0.587
230 HG12 ILE 34 1HG1 ILE 34 3.732 5.595 0.468
231 HG13 ILE 34 2HG1 ILE 34 2.850 6.804 1.394
232 HG21 ILE 34 1HG2 ILE 34 5.677 6.015 -0.526
233 HG22 ILE 34 2HG2 ILE 34 6.723 7.377 -0.127
234 HG23 ILE 34 3HG2 ILE 34 6.560 6.031 1.001
235 HD11 ILE 34 3HD1 ILE 34 3.138 8.221 -0.791
236 HD12 ILE 34 1HD1 ILE 34 3.332 6.632 -1.530
237 HD13 ILE 34 2HD1 ILE 34 1.856 7.019 -0.645
238 H HIS 35 H HIS 35 3.163 6.263 3.717
239 HA HIS 35 HA HIS 35 1.567 8.704 3.946
240 HB2 HIS 35 1HB HIS 35 0.878 5.800 4.431
241 HB3 HIS 35 2HB HIS 35 -0.240 7.136 4.695
242 HD1 HIS 35 HD1 HIS 35 -0.621 8.657 2.412
243 HD2 HIS 35 HD2 HIS 35 0.719 4.753 1.944
244 HE1 HIS 35 HE1 HIS 35 -1.126 8.055 0.023
245 H THR 36 H THR 36 2.222 5.920 6.080
246 HA THR 36 HA THR 36 2.131 5.841 8.393
247 HB THR 36 HB THR 36 4.504 6.189 7.846
248 HG1 THR 36 HG1 THR 36 3.495 6.308 10.125
249 HG21 THR 36 3HG2 THR 36 4.084 9.110 8.443
250 HG22 THR 36 1HG2 THR 36 4.096 8.471 6.800
251 HG23 THR 36 2HG2 THR 36 5.530 8.320 7.815
252 H GLY 37 H GLY 37 0.055 7.486 7.532
253 HA2 GLY 37 1HA GLY 37 -1.448 8.979 8.422
254 HA3 GLY 37 2HA GLY 37 -0.471 8.973 9.883
255 H GLU 38 H GLU 38 -1.345 10.693 7.063
256 HA GLU 38 HA GLU 38 0.802 12.459 6.781
257 HB2 GLU 38 1HB GLU 38 -0.750 13.928 5.628
258 HB3 GLU 38 2HB GLU 38 -1.041 12.260 5.156
259 HG2 GLU 38 1HG GLU 38 -2.998 12.131 6.482
260 HG3 GLU 38 2HG GLU 38 -2.638 13.662 7.278
261 H LYS 39 H LYS 39 1.393 14.327 7.765
262 HA LYS 39 HA LYS 39 -0.319 15.701 9.615
263 HB2 LYS 39 1HB LYS 39 0.848 15.298 11.629
264 HB3 LYS 39 2HB LYS 39 0.600 13.712 10.910
265 HG2 LYS 39 1HG LYS 39 3.143 15.225 10.458
266 HG3 LYS 39 2HG LYS 39 2.895 14.265 11.918
267 HD2 LYS 39 1HD LYS 39 2.648 12.264 10.668
268 HD3 LYS 39 2HD LYS 39 2.519 13.150 9.146
269 HE2 LYS 39 1HE LYS 39 4.851 13.916 9.440
270 HE3 LYS 39 2HE LYS 39 4.963 12.939 10.903
271 HZ1 LYS 39 3HZ LYS 39 4.871 12.086 8.102
272 HZ2 LYS 39 1HZ LYS 39 4.197 11.064 9.269
273 HZ3 LYS 39 2HZ LYS 39 5.825 11.509 9.374
274 HA PRO 40 HA PRO 40 2.254 19.040 8.367
275 HB2 PRO 40 1HB PRO 40 1.802 20.769 10.411
276 HB3 PRO 40 2HB PRO 40 0.602 20.426 9.159
277 HG2 PRO 40 1HG PRO 40 0.818 19.317 11.931
278 HG3 PRO 40 2HG PRO 40 -0.622 19.871 11.057
279 HD2 PRO 40 1HD PRO 40 0.017 17.251 11.298
280 HD3 PRO 40 2HD PRO 40 -0.815 17.904 9.872
281 H SER 41 H SER 41 4.227 20.063 8.806
282 HA SER 41 HA SER 41 6.255 18.728 9.936
283 HB2 SER 41 1HB SER 41 6.190 21.075 8.750
284 HB3 SER 41 2HB SER 41 6.225 21.688 10.404
285 HG SER 41 HG SER 41 8.077 19.985 10.486
286 H GLY 42 H GLY 42 6.489 17.823 11.867
287 HA2 GLY 42 1HA GLY 42 6.403 19.379 14.263
288 HA3 GLY 42 2HA GLY 42 5.021 18.301 14.143
289 HA PRO 43 HA PRO 43 8.949 15.473 14.321
290 HB2 PRO 43 1HB PRO 43 11.287 16.702 14.947
291 HB3 PRO 43 2HB PRO 43 10.734 16.481 13.283
292 HG2 PRO 43 1HG PRO 43 10.553 18.903 15.034
293 HG3 PRO 43 2HG PRO 43 10.995 18.792 13.320
294 HD2 PRO 43 1HD PRO 43 8.528 19.546 14.142
295 HD3 PRO 43 2HD PRO 43 8.799 18.651 12.633
296 H SER 44 H SER 44 9.728 14.408 16.151
297 HA SER 44 HA SER 44 9.418 15.846 18.703
298 HB2 SER 44 1HB SER 44 8.649 12.964 18.186
299 HB3 SER 44 2HB SER 44 8.449 13.847 19.699
300 HG SER 44 HG SER 44 6.554 14.288 18.896
301 H SER 45 H SER 45 11.592 16.181 19.028
302 HA SER 45 HA SER 45 13.312 13.798 19.131
303 HB2 SER 45 1HB SER 45 13.861 16.707 18.653
304 HB3 SER 45 2HB SER 45 15.137 15.678 19.305
305 HG SER 45 HG SER 45 13.738 14.727 17.093
306 H GLY 46 H GLY 46 15.109 14.024 20.848
307 HA2 GLY 46 1HA GLY 46 13.762 14.400 23.399
308 HA3 GLY 46 2HA GLY 46 15.327 13.642 23.147
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -20.440 6.932 -22.064
2 HA2 GLY 1 1HA GLY 1 -22.848 5.499 -21.132
3 HA3 GLY 1 2HA GLY 1 -21.926 4.932 -22.516
4 H SER 2 H SER 2 -20.665 3.269 -22.061
5 HA SER 2 HA SER 2 -19.506 3.090 -19.357
6 HB2 SER 2 1HB SER 2 -19.507 0.643 -19.650
7 HB3 SER 2 2HB SER 2 -21.134 1.305 -19.799
8 HG SER 2 HG SER 2 -21.204 0.621 -21.782
9 H SER 3 H SER 3 -17.354 2.619 -19.132
10 HA SER 3 HA SER 3 -15.717 3.062 -21.490
11 HB2 SER 3 1HB SER 3 -15.107 2.920 -18.538
12 HB3 SER 3 2HB SER 3 -13.836 3.022 -19.757
13 HG SER 3 HG SER 3 -15.216 4.926 -20.501
14 H GLY 4 H GLY 4 -15.819 0.665 -18.846
15 HA2 GLY 4 1HA GLY 4 -15.882 -1.708 -19.492
16 HA3 GLY 4 2HA GLY 4 -14.734 -1.307 -20.761
17 H SER 5 H SER 5 -13.937 -3.327 -19.349
18 HA SER 5 HA SER 5 -12.765 -3.125 -16.901
19 HB2 SER 5 1HB SER 5 -11.554 -4.484 -19.321
20 HB3 SER 5 2HB SER 5 -11.143 -4.819 -17.640
21 HG SER 5 HG SER 5 -13.566 -5.209 -17.496
22 H SER 6 H SER 6 -11.524 -1.580 -16.087
23 HA SER 6 HA SER 6 -9.742 -0.058 -17.809
24 HB2 SER 6 1HB SER 6 -9.366 1.299 -15.716
25 HB3 SER 6 2HB SER 6 -11.040 1.250 -16.270
26 HG SER 6 HG SER 6 -10.227 -0.699 -14.452
27 H GLY 7 H GLY 7 -7.784 -0.853 -18.197
28 HA2 GLY 7 1HA GLY 7 -5.672 -1.678 -17.821
29 HA3 GLY 7 2HA GLY 7 -5.934 -1.363 -16.112
30 H THR 8 H THR 8 -4.633 -3.637 -17.457
31 HA THR 8 HA THR 8 -6.367 -5.795 -16.440
32 HB THR 8 HB THR 8 -5.224 -7.322 -18.014
33 HG1 THR 8 HG1 THR 8 -3.740 -6.570 -19.430
34 HG21 THR 8 3HG2 THR 8 -7.089 -5.249 -18.672
35 HG22 THR 8 1HG2 THR 8 -6.993 -6.894 -19.299
36 HG23 THR 8 2HG2 THR 8 -6.081 -5.600 -20.076
37 H GLY 9 H GLY 9 -5.513 -5.766 -14.353
38 HA2 GLY 9 1HA GLY 9 -3.511 -7.464 -13.677
39 HA3 GLY 9 2HA GLY 9 -2.664 -5.945 -13.925
40 H GLU 10 H GLU 10 -5.377 -7.381 -12.140
41 HA GLU 10 HA GLU 10 -5.178 -5.275 -10.129
42 HB2 GLU 10 1HB GLU 10 -7.170 -6.543 -9.135
43 HB3 GLU 10 2HB GLU 10 -7.419 -5.715 -10.666
44 HG2 GLU 10 1HG GLU 10 -7.259 -7.772 -11.878
45 HG3 GLU 10 2HG GLU 10 -6.796 -8.647 -10.419
46 H LYS 11 H LYS 11 -3.896 -5.517 -8.436
47 HA LYS 11 HA LYS 11 -2.861 -8.138 -7.740
48 HB2 LYS 11 1HB LYS 11 -2.207 -5.323 -6.932
49 HB3 LYS 11 2HB LYS 11 -1.616 -6.675 -5.976
50 HG2 LYS 11 1HG LYS 11 -0.192 -7.395 -7.615
51 HG3 LYS 11 2HG LYS 11 -1.163 -6.702 -8.916
52 HD2 LYS 11 1HD LYS 11 -0.497 -4.426 -7.924
53 HD3 LYS 11 2HD LYS 11 0.746 -5.325 -7.051
54 HE2 LYS 11 1HE LYS 11 0.385 -5.391 -10.044
55 HE3 LYS 11 2HE LYS 11 1.517 -4.331 -9.206
56 HZ1 LYS 11 3HZ LYS 11 2.896 -6.042 -8.706
57 HZ2 LYS 11 1HZ LYS 11 2.229 -6.680 -10.124
58 HZ3 LYS 11 2HZ LYS 11 1.656 -7.189 -8.617
59 HA PRO 12 HA PRO 12 -5.425 -8.950 -4.273
60 HB2 PRO 12 1HB PRO 12 -3.677 -10.084 -2.533
61 HB3 PRO 12 2HB PRO 12 -4.248 -10.903 -3.991
62 HG2 PRO 12 1HG PRO 12 -1.678 -9.441 -3.524
63 HG3 PRO 12 2HG PRO 12 -1.953 -10.984 -4.354
64 HD2 PRO 12 1HD PRO 12 -1.590 -8.655 -5.688
65 HD3 PRO 12 2HD PRO 12 -2.627 -9.957 -6.305
66 H TYR 13 H TYR 13 -2.364 -7.329 -3.522
67 HA TYR 13 HA TYR 13 -3.522 -6.180 -1.101
68 HB2 TYR 13 1HB TYR 13 -0.721 -5.900 -2.208
69 HB3 TYR 13 2HB TYR 13 -1.268 -5.386 -0.616
70 HD1 TYR 13 HD1 TYR 13 -1.947 -7.118 1.062
71 HD2 TYR 13 HD2 TYR 13 -0.064 -8.141 -2.613
72 HE1 TYR 13 HE1 TYR 13 -1.369 -9.326 1.980
73 HE2 TYR 13 HE2 TYR 13 0.518 -10.352 -1.707
74 HH TYR 13 HH TYR 13 -0.868 -11.677 0.941
75 H ARG 14 H ARG 14 -3.900 -4.020 -0.802
76 HA ARG 14 HA ARG 14 -3.256 -2.146 -2.940
77 HB2 ARG 14 1HB ARG 14 -5.426 -2.932 -3.629
78 HB3 ARG 14 2HB ARG 14 -6.070 -2.722 -2.007
79 HG2 ARG 14 1HG ARG 14 -4.951 -0.340 -3.379
80 HG3 ARG 14 2HG ARG 14 -6.511 -0.964 -3.921
81 HD2 ARG 14 1HD ARG 14 -7.010 -0.977 -1.329
82 HD3 ARG 14 2HD ARG 14 -5.744 0.250 -1.314
83 HE ARG 14 HE ARG 14 -7.342 1.166 -3.243
84 HH11 ARG 14 1HH1 ARG 14 -8.060 -0.036 -0.055
85 HH12 ARG 14 2HH1 ARG 14 -9.466 0.957 0.145
86 HH21 ARG 14 1HH2 ARG 14 -9.191 2.479 -2.991
87 HH22 ARG 14 2HH2 ARG 14 -10.109 2.387 -1.526
88 H CYS 15 H CYS 15 -2.818 -0.141 -2.204
89 HA CYS 15 HA CYS 15 -2.621 0.269 0.617
90 HB2 CYS 15 1HB CYS 15 -1.088 1.183 -1.250
91 HB3 CYS 15 2HB CYS 15 -2.311 2.434 -1.450
92 H ALA 16 H ALA 16 -4.375 0.651 1.804
93 HA ALA 16 HA ALA 16 -6.795 1.713 0.838
94 HB1 ALA 16 3HB ALA 16 -6.428 2.135 3.679
95 HB2 ALA 16 1HB ALA 16 -7.567 1.090 2.830
96 HB3 ALA 16 2HB ALA 16 -5.937 0.515 3.184
97 H GLU 17 H GLU 17 -3.873 3.234 1.640
98 HA GLU 17 HA GLU 17 -4.950 5.743 2.510
99 HB2 GLU 17 1HB GLU 17 -2.212 4.848 1.632
100 HB3 GLU 17 2HB GLU 17 -2.561 6.530 2.004
101 HG2 GLU 17 1HG GLU 17 -3.176 4.359 3.968
102 HG3 GLU 17 2HG GLU 17 -1.556 5.040 3.836
103 H CYS 18 H CYS 18 -3.049 4.952 -0.405
104 HA CYS 18 HA CYS 18 -4.388 7.150 -1.802
105 HB2 CYS 18 1HB CYS 18 -2.594 6.828 -3.508
106 HB3 CYS 18 2HB CYS 18 -1.981 7.231 -1.908
107 H GLY 19 H GLY 19 -3.541 3.725 -2.285
108 HA2 GLY 19 1HA GLY 19 -5.443 2.313 -3.059
109 HA3 GLY 19 2HA GLY 19 -5.751 3.576 -4.241
110 H LYS 20 H LYS 20 -2.536 2.496 -3.367
111 HA LYS 20 HA LYS 20 -1.887 1.965 -6.098
112 HB2 LYS 20 1HB LYS 20 -0.450 1.896 -3.495
113 HB3 LYS 20 2HB LYS 20 0.227 0.947 -4.812
114 HG2 LYS 20 1HG LYS 20 -0.122 3.214 -6.134
115 HG3 LYS 20 2HG LYS 20 0.001 3.887 -4.507
116 HD2 LYS 20 1HD LYS 20 2.206 3.892 -5.248
117 HD3 LYS 20 2HD LYS 20 2.108 2.406 -4.301
118 HE2 LYS 20 1HE LYS 20 3.282 2.033 -6.407
119 HE3 LYS 20 2HE LYS 20 1.776 1.118 -6.348
120 HZ1 LYS 20 3HZ LYS 20 0.927 2.261 -8.056
121 HZ2 LYS 20 1HZ LYS 20 2.529 2.691 -8.390
122 HZ3 LYS 20 2HZ LYS 20 1.535 3.746 -7.519
123 H ALA 21 H ALA 21 -0.443 -0.205 -6.340
124 HA ALA 21 HA ALA 21 -2.057 -2.458 -5.357
125 HB1 ALA 21 3HB ALA 21 -2.513 -1.675 -7.794
126 HB2 ALA 21 1HB ALA 21 -0.991 -2.493 -8.147
127 HB3 ALA 21 2HB ALA 21 -2.336 -3.395 -7.448
128 H PHE 22 H PHE 22 -0.924 -4.192 -4.685
129 HA PHE 22 HA PHE 22 1.896 -4.430 -5.436
130 HB2 PHE 22 1HB PHE 22 0.863 -4.409 -2.593
131 HB3 PHE 22 2HB PHE 22 2.490 -4.899 -3.056
132 HD1 PHE 22 HD2 PHE 22 0.160 -2.072 -2.804
133 HD2 PHE 22 HD1 PHE 22 4.154 -3.289 -3.633
134 HE1 PHE 22 HE2 PHE 22 0.900 0.270 -2.662
135 HE2 PHE 22 HE1 PHE 22 4.900 -0.949 -3.491
136 HZ PHE 22 HZ PHE 22 3.272 0.835 -3.006
137 H THR 23 H THR 23 2.619 -6.496 -5.628
138 HA THR 23 HA THR 23 0.626 -8.582 -5.628
139 HB THR 23 HB THR 23 2.145 -8.619 -7.465
140 HG1 THR 23 HG1 THR 23 1.680 -10.674 -6.126
141 HG21 THR 23 3HG2 THR 23 4.636 -9.110 -6.911
142 HG22 THR 23 1HG2 THR 23 4.249 -8.400 -5.345
143 HG23 THR 23 2HG2 THR 23 4.045 -7.452 -6.818
144 H ASP 24 H ASP 24 3.207 -7.527 -3.573
145 HA ASP 24 HA ASP 24 2.630 -9.770 -1.762
146 HB2 ASP 24 1HB ASP 24 4.875 -9.917 -3.048
147 HB3 ASP 24 2HB ASP 24 5.397 -8.616 -1.980
148 H ARG 25 H ARG 25 2.787 -9.312 0.457
149 HA ARG 25 HA ARG 25 1.931 -6.780 1.253
150 HB2 ARG 25 1HB ARG 25 3.035 -9.148 2.723
151 HB3 ARG 25 2HB ARG 25 2.725 -7.647 3.585
152 HG2 ARG 25 1HG ARG 25 0.375 -7.857 2.414
153 HG3 ARG 25 2HG ARG 25 0.817 -9.564 2.362
154 HD2 ARG 25 1HD ARG 25 0.939 -9.723 4.692
155 HD3 ARG 25 2HD ARG 25 1.042 -7.974 4.894
156 HE ARG 25 HE ARG 25 -1.332 -9.539 4.730
157 HH11 ARG 25 1HH1 ARG 25 0.021 -6.429 3.946
158 HH12 ARG 25 2HH1 ARG 25 -1.504 -5.609 3.988
159 HH21 ARG 25 1HH2 ARG 25 -3.347 -8.471 4.789
160 HH22 ARG 25 2HH2 ARG 25 -3.419 -6.771 4.469
161 H SER 26 H SER 26 5.120 -8.284 1.804
162 HA SER 26 HA SER 26 6.494 -6.354 3.061
163 HB2 SER 26 1HB SER 26 7.657 -8.339 2.446
164 HB3 SER 26 2HB SER 26 7.396 -8.045 0.727
165 HG SER 26 HG SER 26 9.471 -7.427 1.186
166 H ASN 27 H ASN 27 6.085 -6.422 -0.480
167 HA ASN 27 HA ASN 27 7.356 -4.001 -1.029
168 HB2 ASN 27 1HB ASN 27 5.039 -5.241 -2.532
169 HB3 ASN 27 2HB ASN 27 6.164 -4.042 -3.165
170 HD21 ASN 27 1HD2 ASN 27 8.538 -4.748 -2.870
171 HD22 ASN 27 2HD2 ASN 27 8.888 -6.368 -3.358
172 H LEU 28 H LEU 28 3.992 -4.687 -0.195
173 HA LEU 28 HA LEU 28 2.997 -2.080 -0.616
174 HB2 LEU 28 1HB LEU 28 1.420 -3.817 -0.492
175 HB3 LEU 28 2HB LEU 28 2.067 -4.405 1.038
176 HG LEU 28 HG LEU 28 1.208 -2.289 2.095
177 HD11 LEU 28 1HD1 LEU 28 -0.009 -1.990 -0.637
178 HD12 LEU 28 2HD1 LEU 28 0.962 -0.826 0.264
179 HD13 LEU 28 3HD1 LEU 28 -0.675 -1.207 0.797
180 HD21 LEU 28 3HD2 LEU 28 -1.287 -3.102 1.692
181 HD22 LEU 28 1HD2 LEU 28 -0.137 -4.039 2.646
182 HD23 LEU 28 2HD2 LEU 28 -0.451 -4.476 0.967
183 H PHE 29 H PHE 29 4.127 -3.724 2.327
184 HA PHE 29 HA PHE 29 3.663 -1.692 4.155
185 HB2 PHE 29 1HB PHE 29 5.703 -3.893 4.026
186 HB3 PHE 29 2HB PHE 29 5.733 -2.725 5.343
187 HD1 PHE 29 HD1 PHE 29 3.314 -2.336 6.435
188 HD2 PHE 29 HD2 PHE 29 4.584 -5.851 4.399
189 HE1 PHE 29 HE1 PHE 29 1.607 -3.642 7.632
190 HE2 PHE 29 HE2 PHE 29 2.878 -7.163 5.592
191 HZ PHE 29 HZ PHE 29 1.386 -6.058 7.210
192 H THR 30 H THR 30 6.473 -2.227 2.069
193 HA THR 30 HA THR 30 8.092 -0.168 3.061
194 HB THR 30 HB THR 30 7.992 -1.210 0.224
195 HG1 THR 30 HG1 THR 30 9.062 -2.210 2.607
196 HG21 THR 30 3HG2 THR 30 9.391 0.950 1.200
197 HG22 THR 30 1HG2 THR 30 9.815 0.013 -0.232
198 HG23 THR 30 2HG2 THR 30 10.560 -0.364 1.322
199 H HIS 31 H HIS 31 5.463 -0.140 0.741
200 HA HIS 31 HA HIS 31 5.952 2.563 -0.115
201 HB2 HIS 31 1HB HIS 31 4.898 1.322 -1.774
202 HB3 HIS 31 2HB HIS 31 3.822 0.521 -0.633
203 HD1 HIS 31 HD1 HIS 31 4.064 3.430 -2.875
204 HD2 HIS 31 HD2 HIS 31 1.595 2.132 0.204
205 HE1 HIS 31 HE1 HIS 31 1.998 4.856 -3.024
206 H GLN 32 H GLN 32 3.505 0.957 1.908
207 HA GLN 32 HA GLN 32 1.872 3.015 2.580
208 HB2 GLN 32 1HB GLN 32 2.942 0.759 4.253
209 HB3 GLN 32 2HB GLN 32 1.800 1.919 4.918
210 HG2 GLN 32 1HG GLN 32 0.144 1.311 3.302
211 HG3 GLN 32 2HG GLN 32 1.293 0.286 2.444
212 HE21 GLN 32 1HE2 GLN 32 -1.200 -0.572 3.409
213 HE22 GLN 32 2HE2 GLN 32 -0.925 -1.761 4.632
214 H LYS 33 H LYS 33 5.205 2.703 3.378
215 HA LYS 33 HA LYS 33 5.464 4.235 5.662
216 HB2 LYS 33 1HB LYS 33 7.251 3.921 3.259
217 HB3 LYS 33 2HB LYS 33 7.721 4.909 4.636
218 HG2 LYS 33 1HG LYS 33 7.221 2.793 6.029
219 HG3 LYS 33 2HG LYS 33 7.332 1.950 4.482
220 HD2 LYS 33 1HD LYS 33 9.478 3.798 5.506
221 HD3 LYS 33 2HD LYS 33 9.464 2.063 5.832
222 HE2 LYS 33 1HE LYS 33 9.330 1.731 3.327
223 HE3 LYS 33 2HE LYS 33 9.677 3.452 3.170
224 HZ1 LYS 33 3HZ LYS 33 11.820 3.049 3.468
225 HZ2 LYS 33 1HZ LYS 33 11.497 1.388 3.474
226 HZ3 LYS 33 2HZ LYS 33 11.530 2.249 4.930
227 H ILE 34 H ILE 34 5.131 5.295 2.309
228 HA ILE 34 HA ILE 34 5.629 8.013 2.648
229 HB ILE 34 HB ILE 34 4.412 8.395 0.607
230 HG12 ILE 34 1HG1 ILE 34 3.450 5.573 0.466
231 HG13 ILE 34 2HG1 ILE 34 2.547 6.708 1.464
232 HG21 ILE 34 1HG2 ILE 34 5.845 5.742 0.549
233 HG22 ILE 34 2HG2 ILE 34 5.477 6.732 -0.863
234 HG23 ILE 34 3HG2 ILE 34 6.578 7.337 0.375
235 HD11 ILE 34 3HD1 ILE 34 2.184 6.287 -1.210
236 HD12 ILE 34 1HD1 ILE 34 1.642 7.702 -0.308
237 HD13 ILE 34 2HD1 ILE 34 3.173 7.746 -1.182
238 H HIS 35 H HIS 35 3.133 6.156 3.941
239 HA HIS 35 HA HIS 35 1.462 8.544 4.375
240 HB2 HIS 35 1HB HIS 35 0.651 5.632 4.517
241 HB3 HIS 35 2HB HIS 35 -0.414 7.013 4.761
242 HD1 HIS 35 HD1 HIS 35 -0.541 8.658 2.543
243 HD2 HIS 35 HD2 HIS 35 0.664 4.724 1.970
244 HE1 HIS 35 HE1 HIS 35 -0.871 8.204 0.092
245 H THR 36 H THR 36 2.441 5.507 5.966
246 HA THR 36 HA THR 36 1.641 6.192 8.550
247 HB THR 36 HB THR 36 3.618 4.567 9.186
248 HG1 THR 36 HG1 THR 36 3.250 3.729 6.518
249 HG21 THR 36 3HG2 THR 36 1.591 3.594 9.532
250 HG22 THR 36 1HG2 THR 36 2.064 2.674 8.103
251 HG23 THR 36 2HG2 THR 36 0.977 4.054 7.944
252 H GLY 37 H GLY 37 2.211 8.301 9.075
253 HA2 GLY 37 1HA GLY 37 3.892 9.262 10.631
254 HA3 GLY 37 2HA GLY 37 5.107 8.744 9.472
255 H GLU 38 H GLU 38 2.223 10.809 9.734
256 HA GLU 38 HA GLU 38 3.611 12.789 8.066
257 HB2 GLU 38 1HB GLU 38 0.878 11.637 7.676
258 HB3 GLU 38 2HB GLU 38 1.177 13.309 7.222
259 HG2 GLU 38 1HG GLU 38 2.975 12.584 5.736
260 HG3 GLU 38 2HG GLU 38 2.670 10.908 6.188
261 H LYS 39 H LYS 39 4.113 13.925 9.974
262 HA LYS 39 HA LYS 39 3.765 15.308 11.766
263 HB2 LYS 39 1HB LYS 39 1.894 16.230 9.624
264 HB3 LYS 39 2HB LYS 39 1.837 17.013 11.197
265 HG2 LYS 39 1HG LYS 39 4.355 16.733 9.577
266 HG3 LYS 39 2HG LYS 39 3.283 18.133 9.490
267 HD2 LYS 39 1HD LYS 39 3.794 18.820 11.638
268 HD3 LYS 39 2HD LYS 39 4.296 17.206 12.145
269 HE2 LYS 39 1HE LYS 39 6.341 18.202 11.958
270 HE3 LYS 39 2HE LYS 39 6.158 17.597 10.312
271 HZ1 LYS 39 3HZ LYS 39 6.903 19.944 10.466
272 HZ2 LYS 39 1HZ LYS 39 5.408 20.343 11.151
273 HZ3 LYS 39 2HZ LYS 39 5.481 19.740 9.573
274 HA PRO 40 HA PRO 40 -0.003 12.828 13.183
275 HB2 PRO 40 1HB PRO 40 1.319 11.164 14.871
276 HB3 PRO 40 2HB PRO 40 1.048 10.785 13.166
277 HG2 PRO 40 1HG PRO 40 3.494 11.886 14.495
278 HG3 PRO 40 2HG PRO 40 3.366 10.628 13.252
279 HD2 PRO 40 1HD PRO 40 4.048 13.184 12.675
280 HD3 PRO 40 2HD PRO 40 3.135 12.162 11.546
281 H SER 41 H SER 41 2.292 14.932 14.332
282 HA SER 41 HA SER 41 2.348 15.000 17.008
283 HB2 SER 41 1HB SER 41 2.184 17.509 16.872
284 HB3 SER 41 2HB SER 41 3.339 16.793 15.748
285 HG SER 41 HG SER 41 2.186 17.502 14.140
286 H GLY 42 H GLY 42 -0.362 16.418 15.162
287 HA2 GLY 42 1HA GLY 42 -1.976 16.938 17.412
288 HA3 GLY 42 2HA GLY 42 -2.543 16.819 15.753
289 HA PRO 43 HA PRO 43 -4.018 13.199 18.434
290 HB2 PRO 43 1HB PRO 43 -6.644 13.880 18.539
291 HB3 PRO 43 2HB PRO 43 -5.466 14.409 19.746
292 HG2 PRO 43 1HG PRO 43 -6.563 15.896 17.390
293 HG3 PRO 43 2HG PRO 43 -6.281 16.471 19.044
294 HD2 PRO 43 1HD PRO 43 -4.577 17.001 17.008
295 HD3 PRO 43 2HD PRO 43 -4.028 16.792 18.684
296 H SER 44 H SER 44 -4.277 11.458 17.200
297 HA SER 44 HA SER 44 -5.780 11.717 14.683
298 HB2 SER 44 1HB SER 44 -3.476 9.972 15.503
299 HB3 SER 44 2HB SER 44 -4.528 9.491 14.172
300 HG SER 44 HG SER 44 -3.682 10.996 12.961
301 H SER 45 H SER 45 -7.274 11.447 16.970
302 HA SER 45 HA SER 45 -8.629 8.950 16.446
303 HB2 SER 45 1HB SER 45 -6.803 8.571 18.262
304 HB3 SER 45 2HB SER 45 -7.899 9.462 19.317
305 HG SER 45 HG SER 45 -9.224 7.814 19.342
306 H GLY 46 H GLY 46 -10.584 8.784 18.060
307 HA2 GLY 46 1HA GLY 46 -12.108 10.124 19.440
308 HA3 GLY 46 2HA GLY 46 -11.673 11.504 18.442
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -14.838 0.598 -19.662
2 HA2 GLY 1 1HA GLY 1 -15.646 1.313 -22.367
3 HA3 GLY 1 2HA GLY 1 -16.091 2.452 -21.105
4 H SER 2 H SER 2 -13.700 1.518 -23.277
5 HA SER 2 HA SER 2 -11.443 2.555 -21.822
6 HB2 SER 2 1HB SER 2 -10.983 0.817 -23.401
7 HB3 SER 2 2HB SER 2 -11.813 1.684 -24.693
8 HG SER 2 HG SER 2 -10.168 3.169 -24.742
9 H SER 3 H SER 3 -12.005 4.674 -21.294
10 HA SER 3 HA SER 3 -12.724 6.550 -23.372
11 HB2 SER 3 1HB SER 3 -12.349 6.718 -20.399
12 HB3 SER 3 2HB SER 3 -12.406 8.195 -21.361
13 HG SER 3 HG SER 3 -14.401 6.218 -21.049
14 H GLY 4 H GLY 4 -9.947 6.021 -21.214
15 HA2 GLY 4 1HA GLY 4 -7.843 6.354 -22.771
16 HA3 GLY 4 2HA GLY 4 -8.406 8.017 -22.695
17 H SER 5 H SER 5 -8.345 5.532 -20.163
18 HA SER 5 HA SER 5 -6.614 7.327 -18.591
19 HB2 SER 5 1HB SER 5 -8.628 5.321 -17.550
20 HB3 SER 5 2HB SER 5 -7.665 6.435 -16.579
21 HG SER 5 HG SER 5 -8.929 8.052 -17.148
22 H SER 6 H SER 6 -5.464 6.036 -16.772
23 HA SER 6 HA SER 6 -4.587 3.402 -17.687
24 HB2 SER 6 1HB SER 6 -2.197 4.057 -17.383
25 HB3 SER 6 2HB SER 6 -2.983 4.896 -18.720
26 HG SER 6 HG SER 6 -2.722 6.726 -17.714
27 H GLY 7 H GLY 7 -4.911 2.119 -15.998
28 HA2 GLY 7 1HA GLY 7 -3.625 2.601 -13.495
29 HA3 GLY 7 2HA GLY 7 -5.360 2.859 -13.380
30 H THR 8 H THR 8 -3.651 0.467 -15.347
31 HA THR 8 HA THR 8 -5.371 -1.631 -14.494
32 HB THR 8 HB THR 8 -3.864 -3.121 -15.775
33 HG1 THR 8 HG1 THR 8 -2.194 -1.803 -17.009
34 HG21 THR 8 3HG2 THR 8 -5.604 -1.328 -16.757
35 HG22 THR 8 1HG2 THR 8 -4.696 -2.443 -17.777
36 HG23 THR 8 2HG2 THR 8 -4.137 -0.783 -17.569
37 H GLY 9 H GLY 9 -5.270 -2.731 -12.655
38 HA2 GLY 9 1HA GLY 9 -2.716 -3.607 -11.602
39 HA3 GLY 9 2HA GLY 9 -3.576 -2.465 -10.579
40 H GLU 10 H GLU 10 -3.354 -5.716 -11.665
41 HA GLU 10 HA GLU 10 -5.781 -6.437 -10.171
42 HB2 GLU 10 1HB GLU 10 -4.345 -7.653 -12.477
43 HB3 GLU 10 2HB GLU 10 -5.158 -8.741 -11.362
44 HG2 GLU 10 1HG GLU 10 -7.236 -8.025 -11.951
45 HG3 GLU 10 2HG GLU 10 -6.680 -6.408 -12.377
46 H LYS 11 H LYS 11 -4.302 -5.944 -8.264
47 HA LYS 11 HA LYS 11 -2.796 -8.376 -7.550
48 HB2 LYS 11 1HB LYS 11 -2.197 -5.492 -7.136
49 HB3 LYS 11 2HB LYS 11 -1.748 -6.601 -5.847
50 HG2 LYS 11 1HG LYS 11 0.162 -6.433 -7.173
51 HG3 LYS 11 2HG LYS 11 -0.575 -7.962 -7.656
52 HD2 LYS 11 1HD LYS 11 0.012 -6.929 -9.676
53 HD3 LYS 11 2HD LYS 11 -1.718 -6.618 -9.509
54 HE2 LYS 11 1HE LYS 11 -0.874 -4.549 -10.137
55 HE3 LYS 11 2HE LYS 11 -0.980 -4.416 -8.383
56 HZ1 LYS 11 3HZ LYS 11 1.536 -5.463 -9.271
57 HZ2 LYS 11 1HZ LYS 11 1.212 -4.185 -8.210
58 HZ3 LYS 11 2HZ LYS 11 1.229 -3.915 -9.880
59 HA PRO 12 HA PRO 12 -5.497 -8.966 -4.139
60 HB2 PRO 12 1HB PRO 12 -3.810 -10.077 -2.325
61 HB3 PRO 12 2HB PRO 12 -4.385 -10.940 -3.756
62 HG2 PRO 12 1HG PRO 12 -1.778 -9.538 -3.311
63 HG3 PRO 12 2HG PRO 12 -2.089 -11.106 -4.079
64 HD2 PRO 12 1HD PRO 12 -1.634 -8.849 -5.505
65 HD3 PRO 12 2HD PRO 12 -2.703 -10.144 -6.082
66 H TYR 13 H TYR 13 -2.368 -7.489 -3.325
67 HA TYR 13 HA TYR 13 -3.503 -6.206 -0.980
68 HB2 TYR 13 1HB TYR 13 -0.723 -5.941 -2.140
69 HB3 TYR 13 2HB TYR 13 -1.247 -5.421 -0.542
70 HD1 TYR 13 HD1 TYR 13 -1.980 -7.189 1.120
71 HD2 TYR 13 HD2 TYR 13 0.033 -8.138 -2.507
72 HE1 TYR 13 HE1 TYR 13 -1.373 -9.388 2.039
73 HE2 TYR 13 HE2 TYR 13 0.644 -10.340 -1.599
74 HH TYR 13 HH TYR 13 0.432 -11.114 1.643
75 H ARG 14 H ARG 14 -3.652 -3.968 -0.681
76 HA ARG 14 HA ARG 14 -3.106 -2.183 -2.894
77 HB2 ARG 14 1HB ARG 14 -5.215 -2.676 -3.697
78 HB3 ARG 14 2HB ARG 14 -5.867 -2.991 -2.094
79 HG2 ARG 14 1HG ARG 14 -5.963 -0.641 -1.610
80 HG3 ARG 14 2HG ARG 14 -5.144 -0.258 -3.125
81 HD2 ARG 14 1HD ARG 14 -7.849 -1.565 -2.853
82 HD3 ARG 14 2HD ARG 14 -7.553 0.117 -3.292
83 HE ARG 14 HE ARG 14 -6.230 -1.714 -5.041
84 HH11 ARG 14 1HH1 ARG 14 -9.280 -0.186 -4.344
85 HH12 ARG 14 2HH1 ARG 14 -9.865 -0.316 -5.970
86 HH21 ARG 14 1HH2 ARG 14 -6.989 -1.891 -7.185
87 HH22 ARG 14 2HH2 ARG 14 -8.562 -1.287 -7.585
88 H CYS 15 H CYS 15 -2.787 -0.099 -2.250
89 HA CYS 15 HA CYS 15 -2.601 0.354 0.599
90 HB2 CYS 15 1HB CYS 15 -0.874 1.088 -1.124
91 HB3 CYS 15 2HB CYS 15 -2.015 2.347 -1.589
92 H ALA 16 H ALA 16 -4.910 0.256 1.019
93 HA ALA 16 HA ALA 16 -6.935 1.732 -0.004
94 HB1 ALA 16 3HB ALA 16 -6.605 1.578 2.972
95 HB2 ALA 16 1HB ALA 16 -8.080 1.470 2.009
96 HB3 ALA 16 2HB ALA 16 -6.926 0.136 2.009
97 H GLU 17 H GLU 17 -4.182 2.943 1.694
98 HA GLU 17 HA GLU 17 -5.174 5.408 2.588
99 HB2 GLU 17 1HB GLU 17 -2.380 4.732 1.650
100 HB3 GLU 17 2HB GLU 17 -2.825 6.142 2.602
101 HG2 GLU 17 1HG GLU 17 -3.395 3.375 3.586
102 HG3 GLU 17 2HG GLU 17 -1.809 4.114 3.799
103 H CYS 18 H CYS 18 -3.396 4.651 -0.410
104 HA CYS 18 HA CYS 18 -4.428 7.156 -1.558
105 HB2 CYS 18 1HB CYS 18 -2.571 6.859 -3.235
106 HB3 CYS 18 2HB CYS 18 -2.036 7.147 -1.583
107 H GLY 19 H GLY 19 -3.922 3.714 -2.220
108 HA2 GLY 19 1HA GLY 19 -5.835 2.562 -3.275
109 HA3 GLY 19 2HA GLY 19 -5.947 3.938 -4.362
110 H LYS 20 H LYS 20 -2.977 2.341 -3.336
111 HA LYS 20 HA LYS 20 -2.293 1.889 -6.127
112 HB2 LYS 20 1HB LYS 20 -0.751 2.818 -4.222
113 HB3 LYS 20 2HB LYS 20 -0.530 1.118 -3.830
114 HG2 LYS 20 1HG LYS 20 0.659 0.690 -5.724
115 HG3 LYS 20 2HG LYS 20 -0.155 1.951 -6.654
116 HD2 LYS 20 1HD LYS 20 1.089 3.664 -5.456
117 HD3 LYS 20 2HD LYS 20 1.866 2.429 -4.463
118 HE2 LYS 20 1HE LYS 20 3.179 1.669 -6.203
119 HE3 LYS 20 2HE LYS 20 2.079 2.280 -7.438
120 HZ1 LYS 20 3HZ LYS 20 4.169 3.553 -7.252
121 HZ2 LYS 20 1HZ LYS 20 3.736 4.004 -5.680
122 HZ3 LYS 20 2HZ LYS 20 2.793 4.503 -6.992
123 H ALA 21 H ALA 21 -0.866 -0.266 -6.342
124 HA ALA 21 HA ALA 21 -2.355 -2.497 -5.143
125 HB1 ALA 21 3HB ALA 21 -3.137 -1.876 -7.502
126 HB2 ALA 21 1HB ALA 21 -1.594 -2.536 -8.045
127 HB3 ALA 21 2HB ALA 21 -2.740 -3.565 -7.185
128 H PHE 22 H PHE 22 -1.118 -4.165 -4.500
129 HA PHE 22 HA PHE 22 1.635 -4.349 -5.499
130 HB2 PHE 22 1HB PHE 22 0.815 -4.408 -2.588
131 HB3 PHE 22 2HB PHE 22 2.425 -4.799 -3.184
132 HD1 PHE 22 HD2 PHE 22 0.006 -2.126 -2.578
133 HD2 PHE 22 HD1 PHE 22 3.915 -3.074 -3.970
134 HE1 PHE 22 HE2 PHE 22 0.627 0.251 -2.444
135 HE2 PHE 22 HE1 PHE 22 4.542 -0.699 -3.837
136 HZ PHE 22 HZ PHE 22 2.897 0.968 -3.074
137 H THR 23 H THR 23 2.366 -6.383 -5.827
138 HA THR 23 HA THR 23 0.465 -8.524 -5.753
139 HB THR 23 HB THR 23 2.049 -8.410 -7.589
140 HG1 THR 23 HG1 THR 23 3.079 -10.627 -7.086
141 HG21 THR 23 3HG2 THR 23 3.884 -7.579 -5.790
142 HG22 THR 23 1HG2 THR 23 4.294 -8.208 -7.385
143 HG23 THR 23 2HG2 THR 23 4.365 -9.265 -5.974
144 H ASP 24 H ASP 24 3.113 -7.468 -3.755
145 HA ASP 24 HA ASP 24 2.651 -9.784 -1.991
146 HB2 ASP 24 1HB ASP 24 5.213 -8.419 -2.763
147 HB3 ASP 24 2HB ASP 24 5.083 -9.274 -1.229
148 H ARG 25 H ARG 25 2.999 -9.380 0.298
149 HA ARG 25 HA ARG 25 1.814 -6.905 1.109
150 HB2 ARG 25 1HB ARG 25 1.540 -9.243 2.174
151 HB3 ARG 25 2HB ARG 25 3.064 -8.897 2.980
152 HG2 ARG 25 1HG ARG 25 2.068 -6.887 3.975
153 HG3 ARG 25 2HG ARG 25 0.535 -7.278 3.193
154 HD2 ARG 25 1HD ARG 25 1.903 -9.253 4.985
155 HD3 ARG 25 2HD ARG 25 0.893 -7.972 5.654
156 HE ARG 25 HE ARG 25 -0.714 -9.081 3.799
157 HH11 ARG 25 1HH1 ARG 25 1.190 -10.428 6.383
158 HH12 ARG 25 2HH1 ARG 25 0.122 -11.766 6.648
159 HH21 ARG 25 1HH2 ARG 25 -2.128 -10.838 4.137
160 HH22 ARG 25 2HH2 ARG 25 -1.765 -11.999 5.369
161 H SER 26 H SER 26 5.015 -8.384 1.484
162 HA SER 26 HA SER 26 6.239 -6.543 3.118
163 HB2 SER 26 1HB SER 26 7.292 -8.642 2.304
164 HB3 SER 26 2HB SER 26 7.511 -7.892 0.724
165 HG SER 26 HG SER 26 9.280 -7.089 1.495
166 H ASN 27 H ASN 27 6.187 -6.460 -0.448
167 HA ASN 27 HA ASN 27 7.487 -4.029 -0.785
168 HB2 ASN 27 1HB ASN 27 5.414 -5.443 -2.455
169 HB3 ASN 27 2HB ASN 27 6.148 -3.927 -2.970
170 HD21 ASN 27 1HD2 ASN 27 6.540 -5.820 -4.668
171 HD22 ASN 27 2HD2 ASN 27 8.119 -6.513 -4.564
172 H LEU 28 H LEU 28 4.056 -4.700 -0.261
173 HA LEU 28 HA LEU 28 3.066 -2.118 -0.667
174 HB2 LEU 28 1HB LEU 28 1.514 -3.882 -0.537
175 HB3 LEU 28 2HB LEU 28 2.131 -4.415 1.025
176 HG LEU 28 HG LEU 28 1.213 -2.297 2.007
177 HD11 LEU 28 1HD1 LEU 28 -0.425 -2.064 -0.489
178 HD12 LEU 28 2HD1 LEU 28 1.107 -1.207 -0.322
179 HD13 LEU 28 3HD1 LEU 28 -0.206 -0.896 0.815
180 HD21 LEU 28 3HD2 LEU 28 -0.265 -4.608 1.002
181 HD22 LEU 28 1HD2 LEU 28 -1.278 -3.203 1.335
182 HD23 LEU 28 2HD2 LEU 28 -0.256 -3.874 2.606
183 H PHE 29 H PHE 29 4.122 -3.697 2.342
184 HA PHE 29 HA PHE 29 3.614 -1.629 4.111
185 HB2 PHE 29 1HB PHE 29 5.531 -3.910 4.062
186 HB3 PHE 29 2HB PHE 29 5.784 -2.653 5.269
187 HD1 PHE 29 HD1 PHE 29 3.659 -1.993 6.651
188 HD2 PHE 29 HD2 PHE 29 4.137 -5.669 4.559
189 HE1 PHE 29 HE1 PHE 29 1.954 -3.030 8.091
190 HE2 PHE 29 HE2 PHE 29 2.432 -6.712 5.994
191 HZ PHE 29 HZ PHE 29 1.338 -5.392 7.763
192 H THR 30 H THR 30 6.572 -2.252 2.243
193 HA THR 30 HA THR 30 8.125 -0.156 3.187
194 HB THR 30 HB THR 30 8.080 -1.318 0.395
195 HG1 THR 30 HG1 THR 30 9.500 -1.969 2.771
196 HG21 THR 30 3HG2 THR 30 9.210 0.917 0.611
197 HG22 THR 30 1HG2 THR 30 10.262 -0.396 0.083
198 HG23 THR 30 2HG2 THR 30 10.326 0.169 1.753
199 H HIS 31 H HIS 31 5.565 -0.157 0.789
200 HA HIS 31 HA HIS 31 6.077 2.500 -0.145
201 HB2 HIS 31 1HB HIS 31 4.945 1.204 -1.715
202 HB3 HIS 31 2HB HIS 31 3.859 0.514 -0.511
203 HD1 HIS 31 HD1 HIS 31 4.330 3.521 -2.684
204 HD2 HIS 31 HD2 HIS 31 1.575 2.028 0.044
205 HE1 HIS 31 HE1 HIS 31 2.287 4.968 -2.931
206 H GLN 32 H GLN 32 3.855 1.042 2.185
207 HA GLN 32 HA GLN 32 2.242 3.211 2.756
208 HB2 GLN 32 1HB GLN 32 3.281 1.105 4.659
209 HB3 GLN 32 2HB GLN 32 1.937 2.189 4.997
210 HG2 GLN 32 1HG GLN 32 0.706 1.234 3.105
211 HG3 GLN 32 2HG GLN 32 2.046 0.128 2.806
212 HE21 GLN 32 1HE2 GLN 32 -0.079 -1.210 3.095
213 HE22 GLN 32 2HE2 GLN 32 -0.299 -1.867 4.678
214 H LYS 33 H LYS 33 5.577 2.877 3.287
215 HA LYS 33 HA LYS 33 5.996 4.393 5.593
216 HB2 LYS 33 1HB LYS 33 7.690 4.065 3.115
217 HB3 LYS 33 2HB LYS 33 8.244 4.901 4.560
218 HG2 LYS 33 1HG LYS 33 7.512 2.641 5.716
219 HG3 LYS 33 2HG LYS 33 7.792 2.006 4.093
220 HD2 LYS 33 1HD LYS 33 9.845 3.773 5.350
221 HD3 LYS 33 2HD LYS 33 9.737 2.083 5.848
222 HE2 LYS 33 1HE LYS 33 10.291 1.296 3.732
223 HE3 LYS 33 2HE LYS 33 9.843 2.809 2.945
224 HZ1 LYS 33 3HZ LYS 33 11.881 3.621 3.227
225 HZ2 LYS 33 1HZ LYS 33 12.366 2.046 3.610
226 HZ3 LYS 33 2HZ LYS 33 11.964 3.131 4.844
227 H ILE 34 H ILE 34 4.912 5.342 2.484
228 HA ILE 34 HA ILE 34 5.724 8.096 2.692
229 HB ILE 34 HB ILE 34 4.536 8.471 0.659
230 HG12 ILE 34 1HG1 ILE 34 3.309 5.726 0.994
231 HG13 ILE 34 2HG1 ILE 34 2.473 7.242 1.313
232 HG21 ILE 34 1HG2 ILE 34 6.158 6.006 0.891
233 HG22 ILE 34 2HG2 ILE 34 5.305 6.268 -0.630
234 HG23 ILE 34 3HG2 ILE 34 6.449 7.474 -0.042
235 HD11 ILE 34 3HD1 ILE 34 3.417 6.151 -1.314
236 HD12 ILE 34 1HD1 ILE 34 1.777 6.567 -0.818
237 HD13 ILE 34 2HD1 ILE 34 2.963 7.841 -1.100
238 H HIS 35 H HIS 35 3.281 6.251 4.071
239 HA HIS 35 HA HIS 35 1.636 8.649 4.552
240 HB2 HIS 35 1HB HIS 35 0.697 5.780 4.698
241 HB3 HIS 35 2HB HIS 35 -0.296 7.232 4.791
242 HD1 HIS 35 HD1 HIS 35 0.121 8.794 2.432
243 HD2 HIS 35 HD2 HIS 35 0.503 4.660 2.260
244 HE1 HIS 35 HE1 HIS 35 -0.162 8.193 0.007
245 H THR 36 H THR 36 2.394 5.495 6.041
246 HA THR 36 HA THR 36 2.337 4.907 8.282
247 HB THR 36 HB THR 36 4.216 5.855 9.495
248 HG1 THR 36 HG1 THR 36 3.638 8.077 8.469
249 HG21 THR 36 3HG2 THR 36 5.268 4.416 8.120
250 HG22 THR 36 1HG2 THR 36 5.847 5.872 7.311
251 HG23 THR 36 2HG2 THR 36 4.433 5.020 6.689
252 H GLY 37 H GLY 37 0.173 6.635 7.746
253 HA2 GLY 37 1HA GLY 37 -1.228 7.243 9.739
254 HA3 GLY 37 2HA GLY 37 0.113 8.281 10.201
255 H GLU 38 H GLU 38 -2.497 7.808 7.907
256 HA GLU 38 HA GLU 38 -2.110 10.004 6.252
257 HB2 GLU 38 1HB GLU 38 -3.784 8.348 5.734
258 HB3 GLU 38 2HB GLU 38 -4.675 8.724 7.202
259 HG2 GLU 38 1HG GLU 38 -5.796 9.690 5.315
260 HG3 GLU 38 2HG GLU 38 -5.130 10.976 6.321
261 H LYS 39 H LYS 39 -1.957 12.086 6.712
262 HA LYS 39 HA LYS 39 -3.631 13.190 8.864
263 HB2 LYS 39 1HB LYS 39 -0.685 13.497 8.429
264 HB3 LYS 39 2HB LYS 39 -1.591 14.819 9.151
265 HG2 LYS 39 1HG LYS 39 -1.663 12.015 10.228
266 HG3 LYS 39 2HG LYS 39 -0.486 13.222 10.753
267 HD2 LYS 39 1HD LYS 39 -2.329 14.699 11.433
268 HD3 LYS 39 2HD LYS 39 -3.490 13.466 10.936
269 HE2 LYS 39 1HE LYS 39 -1.344 12.760 12.886
270 HE3 LYS 39 2HE LYS 39 -2.746 13.673 13.441
271 HZ1 LYS 39 3HZ LYS 39 -3.647 11.655 13.696
272 HZ2 LYS 39 1HZ LYS 39 -2.544 10.901 12.658
273 HZ3 LYS 39 2HZ LYS 39 -3.891 11.703 12.022
274 HA PRO 40 HA PRO 40 -4.887 16.121 5.828
275 HB2 PRO 40 1HB PRO 40 -5.774 18.089 7.476
276 HB3 PRO 40 2HB PRO 40 -6.657 16.579 7.221
277 HG2 PRO 40 1HG PRO 40 -4.849 17.359 9.476
278 HG3 PRO 40 2HG PRO 40 -6.410 16.519 9.532
279 HD2 PRO 40 1HD PRO 40 -4.047 15.215 9.736
280 HD3 PRO 40 2HD PRO 40 -5.478 14.485 8.982
281 H SER 41 H SER 41 -2.682 16.514 5.093
282 HA SER 41 HA SER 41 -1.480 18.960 6.202
283 HB2 SER 41 1HB SER 41 0.621 18.231 5.414
284 HB3 SER 41 2HB SER 41 -0.135 16.772 6.054
285 HG SER 41 HG SER 41 0.428 17.486 3.421
286 H GLY 42 H GLY 42 -3.705 19.292 4.599
287 HA2 GLY 42 1HA GLY 42 -4.464 20.262 2.648
288 HA3 GLY 42 2HA GLY 42 -3.009 21.232 2.817
289 HA PRO 43 HA PRO 43 -2.715 19.099 -1.253
290 HB2 PRO 43 1HB PRO 43 -1.652 21.239 -2.541
291 HB3 PRO 43 2HB PRO 43 -3.392 21.012 -2.331
292 HG2 PRO 43 1HG PRO 43 -1.502 22.722 -0.761
293 HG3 PRO 43 2HG PRO 43 -3.134 23.101 -1.343
294 HD2 PRO 43 1HD PRO 43 -2.632 22.370 1.216
295 HD3 PRO 43 2HD PRO 43 -4.150 21.966 0.387
296 H SER 44 H SER 44 -0.935 18.098 -2.059
297 HA SER 44 HA SER 44 1.583 18.556 -0.658
298 HB2 SER 44 1HB SER 44 0.851 16.351 -2.599
299 HB3 SER 44 2HB SER 44 2.277 16.407 -1.563
300 HG SER 44 HG SER 44 -0.431 16.087 -0.821
301 H SER 45 H SER 45 3.212 19.643 -1.530
302 HA SER 45 HA SER 45 3.781 19.553 -4.346
303 HB2 SER 45 1HB SER 45 3.383 21.799 -4.923
304 HB3 SER 45 2HB SER 45 1.948 21.341 -4.006
305 HG SER 45 HG SER 45 2.786 23.354 -3.323
306 H GLY 46 H GLY 46 5.683 21.071 -4.853
307 HA2 GLY 46 1HA GLY 46 7.378 21.543 -2.508
308 HA3 GLY 46 2HA GLY 46 7.972 20.446 -3.747
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -4.134 19.120 -6.952
2 HA2 GLY 1 1HA GLY 1 -3.865 19.117 -9.771
3 HA3 GLY 1 2HA GLY 1 -2.278 19.002 -9.025
4 H SER 2 H SER 2 -3.782 17.057 -10.659
5 HA SER 2 HA SER 2 -3.805 14.839 -8.719
6 HB2 SER 2 1HB SER 2 -5.585 15.196 -11.142
7 HB3 SER 2 2HB SER 2 -5.524 13.744 -10.144
8 HG SER 2 HG SER 2 -7.214 15.348 -9.641
9 H SER 3 H SER 3 -2.953 12.863 -9.405
10 HA SER 3 HA SER 3 -1.265 13.044 -11.812
11 HB2 SER 3 1HB SER 3 -0.842 11.820 -9.122
12 HB3 SER 3 2HB SER 3 -0.080 11.050 -10.514
13 HG SER 3 HG SER 3 0.331 13.623 -9.454
14 H GLY 4 H GLY 4 -1.348 11.471 -13.344
15 HA2 GLY 4 1HA GLY 4 -3.604 10.036 -13.855
16 HA3 GLY 4 2HA GLY 4 -2.018 9.552 -14.437
17 H SER 5 H SER 5 -4.321 7.922 -13.591
18 HA SER 5 HA SER 5 -2.915 6.313 -11.572
19 HB2 SER 5 1HB SER 5 -5.048 5.763 -10.499
20 HB3 SER 5 2HB SER 5 -4.776 7.506 -10.474
21 HG SER 5 HG SER 5 -6.903 7.005 -11.119
22 H SER 6 H SER 6 -2.164 4.829 -13.041
23 HA SER 6 HA SER 6 -4.194 3.363 -14.593
24 HB2 SER 6 1HB SER 6 -2.264 2.624 -16.017
25 HB3 SER 6 2HB SER 6 -2.560 4.362 -16.059
26 HG SER 6 HG SER 6 -0.479 4.381 -15.635
27 H GLY 7 H GLY 7 -4.323 1.155 -14.446
28 HA2 GLY 7 1HA GLY 7 -2.358 -0.316 -12.887
29 HA3 GLY 7 2HA GLY 7 -3.959 -0.202 -12.172
30 H THR 8 H THR 8 -1.980 -1.816 -14.426
31 HA THR 8 HA THR 8 -4.258 -3.148 -15.695
32 HB THR 8 HB THR 8 -2.670 -2.501 -17.318
33 HG1 THR 8 HG1 THR 8 -3.333 -4.623 -17.679
34 HG21 THR 8 3HG2 THR 8 -0.731 -1.959 -16.132
35 HG22 THR 8 1HG2 THR 8 -0.249 -3.363 -17.083
36 HG23 THR 8 2HG2 THR 8 -0.637 -3.547 -15.373
37 H GLY 9 H GLY 9 -4.825 -4.281 -13.710
38 HA2 GLY 9 1HA GLY 9 -4.558 -6.854 -13.501
39 HA3 GLY 9 2HA GLY 9 -2.951 -6.411 -12.943
40 H GLU 10 H GLU 10 -5.604 -7.577 -11.754
41 HA GLU 10 HA GLU 10 -5.987 -5.727 -9.535
42 HB2 GLU 10 1HB GLU 10 -7.969 -6.747 -10.552
43 HB3 GLU 10 2HB GLU 10 -7.348 -8.349 -10.178
44 HG2 GLU 10 1HG GLU 10 -9.031 -7.760 -8.579
45 HG3 GLU 10 2HG GLU 10 -7.461 -7.801 -7.778
46 H LYS 11 H LYS 11 -4.069 -5.887 -8.389
47 HA LYS 11 HA LYS 11 -2.916 -8.378 -7.623
48 HB2 LYS 11 1HB LYS 11 -2.471 -5.512 -6.888
49 HB3 LYS 11 2HB LYS 11 -1.750 -6.771 -5.894
50 HG2 LYS 11 1HG LYS 11 -0.057 -6.346 -7.373
51 HG3 LYS 11 2HG LYS 11 -0.882 -7.681 -8.181
52 HD2 LYS 11 1HD LYS 11 -1.869 -6.274 -9.758
53 HD3 LYS 11 2HD LYS 11 -1.614 -4.833 -8.770
54 HE2 LYS 11 1HE LYS 11 0.676 -4.761 -9.272
55 HE3 LYS 11 2HE LYS 11 0.687 -6.423 -9.860
56 HZ1 LYS 11 3HZ LYS 11 -1.068 -4.608 -11.285
57 HZ2 LYS 11 1HZ LYS 11 -0.030 -5.804 -11.881
58 HZ3 LYS 11 2HZ LYS 11 0.585 -4.289 -11.450
59 HA PRO 12 HA PRO 12 -5.159 -9.446 -4.006
60 HB2 PRO 12 1HB PRO 12 -3.201 -10.372 -2.369
61 HB3 PRO 12 2HB PRO 12 -3.760 -11.256 -3.793
62 HG2 PRO 12 1HG PRO 12 -1.345 -9.518 -3.471
63 HG3 PRO 12 2HG PRO 12 -1.494 -11.086 -4.286
64 HD2 PRO 12 1HD PRO 12 -1.466 -8.739 -5.637
65 HD3 PRO 12 2HD PRO 12 -2.387 -10.151 -6.194
66 H TYR 13 H TYR 13 -2.419 -7.290 -3.628
67 HA TYR 13 HA TYR 13 -3.503 -6.324 -1.075
68 HB2 TYR 13 1HB TYR 13 -0.821 -5.723 -2.339
69 HB3 TYR 13 2HB TYR 13 -1.339 -5.273 -0.718
70 HD1 TYR 13 HD1 TYR 13 -1.764 -7.103 0.969
71 HD2 TYR 13 HD2 TYR 13 0.141 -7.832 -2.765
72 HE1 TYR 13 HE1 TYR 13 -0.869 -9.219 1.846
73 HE2 TYR 13 HE2 TYR 13 1.041 -9.951 -1.899
74 HH TYR 13 HH TYR 13 0.835 -11.489 -0.218
75 H ARG 14 H ARG 14 -3.456 -3.965 -0.712
76 HA ARG 14 HA ARG 14 -3.414 -2.204 -2.973
77 HB2 ARG 14 1HB ARG 14 -5.605 -3.185 -3.339
78 HB3 ARG 14 2HB ARG 14 -6.061 -2.863 -1.671
79 HG2 ARG 14 1HG ARG 14 -7.080 -1.104 -2.676
80 HG3 ARG 14 2HG ARG 14 -5.499 -0.378 -2.381
81 HD2 ARG 14 1HD ARG 14 -4.808 -0.840 -4.638
82 HD3 ARG 14 2HD ARG 14 -6.289 -1.746 -4.947
83 HE ARG 14 HE ARG 14 -5.977 1.130 -4.907
84 HH11 ARG 14 1HH1 ARG 14 -8.177 -1.566 -4.806
85 HH12 ARG 14 2HH1 ARG 14 -9.542 -0.640 -5.338
86 HH21 ARG 14 1HH2 ARG 14 -7.766 2.360 -5.607
87 HH22 ARG 14 2HH2 ARG 14 -9.307 1.592 -5.794
88 H CYS 15 H CYS 15 -2.951 -0.182 -2.332
89 HA CYS 15 HA CYS 15 -2.689 0.321 0.507
90 HB2 CYS 15 1HB CYS 15 -0.989 0.959 -1.317
91 HB3 CYS 15 2HB CYS 15 -2.082 2.288 -1.691
92 H ALA 16 H ALA 16 -4.947 0.360 1.040
93 HA ALA 16 HA ALA 16 -6.972 1.834 0.004
94 HB1 ALA 16 3HB ALA 16 -8.046 1.709 2.064
95 HB2 ALA 16 1HB ALA 16 -6.917 0.354 2.109
96 HB3 ALA 16 2HB ALA 16 -6.539 1.848 2.969
97 H GLU 17 H GLU 17 -4.152 3.049 1.623
98 HA GLU 17 HA GLU 17 -5.019 5.583 2.388
99 HB2 GLU 17 1HB GLU 17 -2.386 4.387 1.681
100 HB3 GLU 17 2HB GLU 17 -2.489 6.140 1.758
101 HG2 GLU 17 1HG GLU 17 -1.730 5.154 3.864
102 HG3 GLU 17 2HG GLU 17 -3.244 6.039 4.045
103 H CYS 18 H CYS 18 -3.218 4.778 -0.588
104 HA CYS 18 HA CYS 18 -4.378 7.173 -1.838
105 HB2 CYS 18 1HB CYS 18 -2.520 6.854 -3.523
106 HB3 CYS 18 2HB CYS 18 -1.997 7.267 -1.893
107 H GLY 19 H GLY 19 -3.823 3.716 -2.306
108 HA2 GLY 19 1HA GLY 19 -5.664 2.454 -3.321
109 HA3 GLY 19 2HA GLY 19 -5.853 3.786 -4.452
110 H LYS 20 H LYS 20 -2.760 2.455 -3.457
111 HA LYS 20 HA LYS 20 -2.135 1.885 -6.235
112 HB2 LYS 20 1HB LYS 20 -0.587 2.188 -3.714
113 HB3 LYS 20 2HB LYS 20 0.104 1.159 -4.962
114 HG2 LYS 20 1HG LYS 20 0.139 2.957 -6.528
115 HG3 LYS 20 2HG LYS 20 -0.786 3.993 -5.439
116 HD2 LYS 20 1HD LYS 20 1.015 4.295 -3.998
117 HD3 LYS 20 2HD LYS 20 1.851 2.856 -4.585
118 HE2 LYS 20 1HE LYS 20 1.977 4.126 -6.828
119 HE3 LYS 20 2HE LYS 20 1.608 5.556 -5.865
120 HZ1 LYS 20 3HZ LYS 20 4.055 4.056 -6.056
121 HZ2 LYS 20 1HZ LYS 20 3.594 4.384 -4.461
122 HZ3 LYS 20 2HZ LYS 20 3.801 5.653 -5.559
123 H ALA 21 H ALA 21 -1.197 -0.152 -6.901
124 HA ALA 21 HA ALA 21 -2.351 -2.420 -5.421
125 HB1 ALA 21 3HB ALA 21 -3.174 -1.969 -7.752
126 HB2 ALA 21 1HB ALA 21 -1.562 -2.397 -8.326
127 HB3 ALA 21 2HB ALA 21 -2.543 -3.592 -7.477
128 H PHE 22 H PHE 22 -1.048 -3.928 -4.594
129 HA PHE 22 HA PHE 22 1.753 -4.003 -5.503
130 HB2 PHE 22 1HB PHE 22 0.699 -4.197 -2.678
131 HB3 PHE 22 2HB PHE 22 2.352 -4.595 -3.133
132 HD1 PHE 22 HD2 PHE 22 -0.122 -1.821 -3.351
133 HD2 PHE 22 HD1 PHE 22 3.970 -2.956 -3.057
134 HE1 PHE 22 HE2 PHE 22 0.512 0.542 -3.095
135 HE2 PHE 22 HE1 PHE 22 4.610 -0.594 -2.798
136 HZ PHE 22 HZ PHE 22 2.880 1.159 -2.818
137 H THR 23 H THR 23 2.606 -5.970 -5.907
138 HA THR 23 HA THR 23 0.824 -8.216 -6.036
139 HB THR 23 HB THR 23 2.788 -9.439 -6.946
140 HG1 THR 23 HG1 THR 23 4.118 -6.941 -6.585
141 HG21 THR 23 3HG2 THR 23 1.255 -7.628 -8.193
142 HG22 THR 23 1HG2 THR 23 2.542 -8.515 -9.009
143 HG23 THR 23 2HG2 THR 23 2.832 -6.875 -8.427
144 H ASP 24 H ASP 24 3.580 -7.273 -4.052
145 HA ASP 24 HA ASP 24 3.077 -9.627 -2.351
146 HB2 ASP 24 1HB ASP 24 5.687 -8.121 -2.602
147 HB3 ASP 24 2HB ASP 24 5.407 -9.620 -1.720
148 H ARG 25 H ARG 25 3.048 -9.348 -0.118
149 HA ARG 25 HA ARG 25 1.999 -6.913 0.821
150 HB2 ARG 25 1HB ARG 25 1.456 -9.002 1.915
151 HB3 ARG 25 2HB ARG 25 3.145 -9.271 2.323
152 HG2 ARG 25 1HG ARG 25 3.101 -7.313 3.789
153 HG3 ARG 25 2HG ARG 25 1.403 -7.055 3.384
154 HD2 ARG 25 1HD ARG 25 1.661 -8.208 5.530
155 HD3 ARG 25 2HD ARG 25 0.826 -9.212 4.345
156 HE ARG 25 HE ARG 25 3.347 -10.036 4.052
157 HH11 ARG 25 1HH1 ARG 25 1.430 -9.498 6.908
158 HH12 ARG 25 2HH1 ARG 25 2.238 -10.717 7.838
159 HH21 ARG 25 1HH2 ARG 25 4.418 -11.643 5.266
160 HH22 ARG 25 2HH2 ARG 25 3.938 -11.935 6.903
161 H SER 26 H SER 26 5.139 -8.449 1.540
162 HA SER 26 HA SER 26 6.322 -6.606 3.120
163 HB2 SER 26 1HB SER 26 8.461 -7.333 2.291
164 HB3 SER 26 2HB SER 26 7.373 -8.721 2.252
165 HG SER 26 HG SER 26 8.734 -8.217 0.308
166 H ASN 27 H ASN 27 6.028 -6.391 -0.405
167 HA ASN 27 HA ASN 27 7.483 -3.998 -0.715
168 HB2 ASN 27 1HB ASN 27 5.425 -5.414 -2.386
169 HB3 ASN 27 2HB ASN 27 6.038 -3.835 -2.869
170 HD21 ASN 27 1HD2 ASN 27 6.553 -5.508 -4.685
171 HD22 ASN 27 2HD2 ASN 27 8.158 -6.144 -4.638
172 H LEU 28 H LEU 28 4.023 -4.620 -0.266
173 HA LEU 28 HA LEU 28 3.102 -2.001 -0.558
174 HB2 LEU 28 1HB LEU 28 1.506 -3.727 -0.538
175 HB3 LEU 28 2HB LEU 28 2.084 -4.353 1.005
176 HG LEU 28 HG LEU 28 1.221 -2.201 2.039
177 HD11 LEU 28 1HD1 LEU 28 0.972 -0.784 0.169
178 HD12 LEU 28 2HD1 LEU 28 -0.663 -1.173 0.703
179 HD13 LEU 28 3HD1 LEU 28 0.019 -1.981 -0.708
180 HD21 LEU 28 3HD2 LEU 28 -0.454 -3.504 2.686
181 HD22 LEU 28 1HD2 LEU 28 -0.056 -4.620 1.380
182 HD23 LEU 28 2HD2 LEU 28 -1.238 -3.338 1.114
183 H PHE 29 H PHE 29 3.779 -3.745 2.482
184 HA PHE 29 HA PHE 29 3.376 -1.751 4.295
185 HB2 PHE 29 1HB PHE 29 5.299 -4.039 4.204
186 HB3 PHE 29 2HB PHE 29 5.440 -2.866 5.508
187 HD1 PHE 29 HD2 PHE 29 2.584 -4.545 3.786
188 HD2 PHE 29 HD1 PHE 29 4.529 -3.633 7.460
189 HE1 PHE 29 HE2 PHE 29 0.797 -5.705 5.016
190 HE2 PHE 29 HE1 PHE 29 2.746 -4.792 8.696
191 HZ PHE 29 HZ PHE 29 0.876 -5.830 7.474
192 H THR 30 H THR 30 6.325 -2.310 2.407
193 HA THR 30 HA THR 30 7.921 -0.318 3.523
194 HB THR 30 HB THR 30 7.911 -1.270 0.652
195 HG1 THR 30 HG1 THR 30 8.236 -2.927 2.253
196 HG21 THR 30 3HG2 THR 30 9.226 0.900 1.578
197 HG22 THR 30 1HG2 THR 30 9.835 -0.136 0.288
198 HG23 THR 30 2HG2 THR 30 10.403 -0.361 1.943
199 H HIS 31 H HIS 31 5.606 -0.140 0.847
200 HA HIS 31 HA HIS 31 6.130 2.550 0.156
201 HB2 HIS 31 1HB HIS 31 5.000 1.337 -1.491
202 HB3 HIS 31 2HB HIS 31 3.844 0.668 -0.343
203 HD1 HIS 31 HD1 HIS 31 4.555 3.747 -2.358
204 HD2 HIS 31 HD2 HIS 31 1.599 2.242 0.145
205 HE1 HIS 31 HE1 HIS 31 2.590 5.293 -2.632
206 H GLN 32 H GLN 32 3.486 1.117 2.073
207 HA GLN 32 HA GLN 32 2.023 3.253 2.790
208 HB2 GLN 32 1HB GLN 32 2.991 1.038 4.601
209 HB3 GLN 32 2HB GLN 32 1.728 2.178 5.046
210 HG2 GLN 32 1HG GLN 32 0.496 1.412 2.973
211 HG3 GLN 32 2HG GLN 32 1.674 0.103 2.879
212 HE21 GLN 32 1HE2 GLN 32 -1.335 0.554 3.649
213 HE22 GLN 32 2HE2 GLN 32 -1.521 -0.493 5.011
214 H LYS 33 H LYS 33 5.315 2.671 3.703
215 HA LYS 33 HA LYS 33 5.681 4.179 5.954
216 HB2 LYS 33 1HB LYS 33 7.423 3.859 3.517
217 HB3 LYS 33 2HB LYS 33 7.953 4.773 4.923
218 HG2 LYS 33 1HG LYS 33 7.381 2.640 6.250
219 HG3 LYS 33 2HG LYS 33 7.411 1.842 4.676
220 HD2 LYS 33 1HD LYS 33 9.674 3.522 5.745
221 HD3 LYS 33 2HD LYS 33 9.577 1.770 5.940
222 HE2 LYS 33 1HE LYS 33 9.939 1.366 3.709
223 HE3 LYS 33 2HE LYS 33 9.286 2.926 3.210
224 HZ1 LYS 33 3HZ LYS 33 11.532 3.196 2.876
225 HZ2 LYS 33 1HZ LYS 33 11.970 2.281 4.230
226 HZ3 LYS 33 2HZ LYS 33 11.354 3.844 4.428
227 H ILE 34 H ILE 34 5.661 5.385 2.606
228 HA ILE 34 HA ILE 34 6.166 8.054 3.070
229 HB ILE 34 HB ILE 34 5.030 8.555 0.997
230 HG12 ILE 34 1HG1 ILE 34 4.030 5.742 0.761
231 HG13 ILE 34 2HG1 ILE 34 3.086 6.915 1.674
232 HG21 ILE 34 1HG2 ILE 34 6.012 6.588 -0.411
233 HG22 ILE 34 2HG2 ILE 34 7.087 7.652 0.496
234 HG23 ILE 34 3HG2 ILE 34 6.667 6.064 1.140
235 HD11 ILE 34 3HD1 ILE 34 2.164 7.039 -0.432
236 HD12 ILE 34 1HD1 ILE 34 3.312 8.378 -0.443
237 HD13 ILE 34 2HD1 ILE 34 3.721 6.858 -1.239
238 H HIS 35 H HIS 35 3.297 6.234 3.762
239 HA HIS 35 HA HIS 35 1.658 8.592 4.165
240 HB2 HIS 35 1HB HIS 35 1.145 5.643 4.567
241 HB3 HIS 35 2HB HIS 35 -0.036 6.887 4.965
242 HD1 HIS 35 HD1 HIS 35 -0.509 8.562 2.759
243 HD2 HIS 35 HD2 HIS 35 0.802 4.680 2.073
244 HE1 HIS 35 HE1 HIS 35 -1.130 8.054 0.376
245 H THR 36 H THR 36 2.948 5.957 6.183
246 HA THR 36 HA THR 36 2.173 7.297 8.618
247 HB THR 36 HB THR 36 2.124 4.863 8.554
248 HG1 THR 36 HG1 THR 36 3.709 6.274 10.339
249 HG21 THR 36 3HG2 THR 36 4.209 3.564 8.450
250 HG22 THR 36 1HG2 THR 36 5.112 5.047 8.145
251 HG23 THR 36 2HG2 THR 36 3.933 4.474 6.965
252 H GLY 37 H GLY 37 3.362 8.675 9.778
253 HA2 GLY 37 1HA GLY 37 6.196 9.006 9.020
254 HA3 GLY 37 2HA GLY 37 5.171 10.298 9.630
255 H GLU 38 H GLU 38 6.289 10.884 11.421
256 HA GLU 38 HA GLU 38 6.960 8.791 13.369
257 HB2 GLU 38 1HB GLU 38 7.957 11.610 12.994
258 HB3 GLU 38 2HB GLU 38 8.284 10.687 14.453
259 HG2 GLU 38 1HG GLU 38 9.391 8.966 13.098
260 HG3 GLU 38 2HG GLU 38 9.099 9.935 11.655
261 H LYS 39 H LYS 39 4.268 9.489 13.115
262 HA LYS 39 HA LYS 39 3.797 10.837 15.691
263 HB2 LYS 39 1HB LYS 39 1.850 11.911 14.843
264 HB3 LYS 39 2HB LYS 39 3.135 12.215 13.682
265 HG2 LYS 39 1HG LYS 39 2.247 10.683 12.136
266 HG3 LYS 39 2HG LYS 39 1.173 9.970 13.342
267 HD2 LYS 39 1HD LYS 39 -0.059 12.104 13.464
268 HD3 LYS 39 2HD LYS 39 0.986 12.759 12.201
269 HE2 LYS 39 1HE LYS 39 -0.929 12.062 11.058
270 HE3 LYS 39 2HE LYS 39 0.228 10.757 10.798
271 HZ1 LYS 39 3HZ LYS 39 -2.061 10.029 11.407
272 HZ2 LYS 39 1HZ LYS 39 -1.827 10.713 12.936
273 HZ3 LYS 39 2HZ LYS 39 -0.848 9.433 12.424
274 HA PRO 40 HA PRO 40 1.671 7.160 16.847
275 HB2 PRO 40 1HB PRO 40 0.093 8.171 18.811
276 HB3 PRO 40 2HB PRO 40 1.833 7.925 19.007
277 HG2 PRO 40 1HG PRO 40 0.336 10.437 18.369
278 HG3 PRO 40 2HG PRO 40 1.688 10.195 19.491
279 HD2 PRO 40 1HD PRO 40 2.019 11.241 17.015
280 HD3 PRO 40 2HD PRO 40 3.260 10.247 17.805
281 H SER 41 H SER 41 0.034 6.143 15.889
282 HA SER 41 HA SER 41 -2.241 7.726 14.922
283 HB2 SER 41 1HB SER 41 -2.686 5.744 13.458
284 HB3 SER 41 2HB SER 41 -1.115 6.493 13.174
285 HG SER 41 HG SER 41 -1.586 4.193 14.771
286 H GLY 42 H GLY 42 -3.499 7.828 16.775
287 HA2 GLY 42 1HA GLY 42 -4.063 5.820 18.582
288 HA3 GLY 42 2HA GLY 42 -5.176 7.117 18.176
289 HA PRO 43 HA PRO 43 -6.440 2.788 16.467
290 HB2 PRO 43 1HB PRO 43 -7.798 1.748 18.575
291 HB3 PRO 43 2HB PRO 43 -6.080 1.444 18.295
292 HG2 PRO 43 1HG PRO 43 -7.379 3.399 20.153
293 HG3 PRO 43 2HG PRO 43 -5.990 2.335 20.441
294 HD2 PRO 43 1HD PRO 43 -5.715 4.967 19.863
295 HD3 PRO 43 2HD PRO 43 -4.524 3.749 19.362
296 H SER 44 H SER 44 -8.779 1.988 16.363
297 HA SER 44 HA SER 44 -10.519 4.342 16.249
298 HB2 SER 44 1HB SER 44 -10.654 1.645 14.893
299 HB3 SER 44 2HB SER 44 -11.961 2.826 14.811
300 HG SER 44 HG SER 44 -10.469 4.287 13.871
301 H SER 45 H SER 45 -12.881 3.916 16.678
302 HA SER 45 HA SER 45 -13.461 3.462 19.251
303 HB2 SER 45 1HB SER 45 -15.159 4.214 17.679
304 HB3 SER 45 2HB SER 45 -15.188 2.629 16.906
305 HG SER 45 HG SER 45 -15.887 3.162 19.607
306 H GLY 46 H GLY 46 -13.373 0.910 16.777
307 HA2 GLY 46 1HA GLY 46 -13.692 -1.124 18.856
308 HA3 GLY 46 2HA GLY 46 -13.740 -1.398 17.121
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -12.295 -6.684 -31.099
2 HA2 GLY 1 1HA GLY 1 -10.503 -8.999 -31.506
3 HA3 GLY 1 2HA GLY 1 -9.922 -7.367 -31.213
4 H SER 2 H SER 2 -10.271 -6.428 -29.113
5 HA SER 2 HA SER 2 -9.751 -8.261 -27.013
6 HB2 SER 2 1HB SER 2 -9.485 -6.379 -25.627
7 HB3 SER 2 2HB SER 2 -9.017 -5.794 -27.223
8 HG SER 2 HG SER 2 -11.340 -5.265 -25.738
9 H SER 3 H SER 3 -11.142 -9.425 -25.878
10 HA SER 3 HA SER 3 -13.984 -8.888 -26.070
11 HB2 SER 3 1HB SER 3 -13.137 -11.200 -26.279
12 HB3 SER 3 2HB SER 3 -12.519 -11.114 -24.630
13 HG SER 3 HG SER 3 -14.881 -11.898 -25.334
14 H GLY 4 H GLY 4 -11.533 -9.144 -23.507
15 HA2 GLY 4 1HA GLY 4 -11.829 -7.218 -21.852
16 HA3 GLY 4 2HA GLY 4 -13.447 -7.876 -21.656
17 H SER 5 H SER 5 -10.170 -9.280 -21.787
18 HA SER 5 HA SER 5 -10.865 -11.075 -19.613
19 HB2 SER 5 1HB SER 5 -9.520 -11.723 -21.706
20 HB3 SER 5 2HB SER 5 -8.169 -10.882 -20.947
21 HG SER 5 HG SER 5 -8.955 -12.359 -19.056
22 H SER 6 H SER 6 -10.855 -8.410 -18.819
23 HA SER 6 HA SER 6 -8.722 -7.145 -17.838
24 HB2 SER 6 1HB SER 6 -10.046 -6.428 -15.914
25 HB3 SER 6 2HB SER 6 -11.059 -6.488 -17.356
26 HG SER 6 HG SER 6 -11.712 -8.617 -16.610
27 H GLY 7 H GLY 7 -6.887 -8.080 -17.158
28 HA2 GLY 7 1HA GLY 7 -7.076 -9.843 -14.802
29 HA3 GLY 7 2HA GLY 7 -6.043 -10.272 -16.157
30 H THR 8 H THR 8 -4.374 -8.607 -16.749
31 HA THR 8 HA THR 8 -2.723 -8.085 -14.548
32 HB THR 8 HB THR 8 -1.767 -8.318 -16.756
33 HG1 THR 8 HG1 THR 8 -1.343 -5.606 -16.040
34 HG21 THR 8 3HG2 THR 8 -2.192 -6.920 -18.572
35 HG22 THR 8 1HG2 THR 8 -2.863 -5.643 -17.557
36 HG23 THR 8 2HG2 THR 8 -3.785 -7.119 -17.843
37 H GLY 9 H GLY 9 -2.831 -6.560 -13.042
38 HA2 GLY 9 1HA GLY 9 -2.799 -3.991 -12.943
39 HA3 GLY 9 2HA GLY 9 -4.417 -4.143 -13.613
40 H GLU 10 H GLU 10 -5.053 -6.534 -12.066
41 HA GLU 10 HA GLU 10 -5.708 -5.183 -9.563
42 HB2 GLU 10 1HB GLU 10 -7.410 -6.419 -11.036
43 HB3 GLU 10 2HB GLU 10 -6.684 -7.898 -10.422
44 HG2 GLU 10 1HG GLU 10 -7.236 -7.226 -8.141
45 HG3 GLU 10 2HG GLU 10 -7.966 -5.744 -8.756
46 H LYS 11 H LYS 11 -4.372 -5.430 -7.909
47 HA LYS 11 HA LYS 11 -2.865 -7.942 -7.656
48 HB2 LYS 11 1HB LYS 11 -2.358 -5.205 -6.479
49 HB3 LYS 11 2HB LYS 11 -1.402 -6.634 -6.105
50 HG2 LYS 11 1HG LYS 11 -1.733 -5.494 -8.871
51 HG3 LYS 11 2HG LYS 11 -0.377 -5.141 -7.798
52 HD2 LYS 11 1HD LYS 11 0.290 -7.450 -7.790
53 HD3 LYS 11 2HD LYS 11 -1.155 -7.915 -8.692
54 HE2 LYS 11 1HE LYS 11 -0.397 -6.723 -10.631
55 HE3 LYS 11 2HE LYS 11 0.958 -6.035 -9.737
56 HZ1 LYS 11 3HZ LYS 11 0.982 -8.868 -9.583
57 HZ2 LYS 11 1HZ LYS 11 2.174 -7.820 -10.168
58 HZ3 LYS 11 2HZ LYS 11 0.951 -8.369 -11.199
59 HA PRO 12 HA PRO 12 -5.060 -9.140 -4.048
60 HB2 PRO 12 1HB PRO 12 -3.107 -10.387 -2.634
61 HB3 PRO 12 2HB PRO 12 -3.831 -11.081 -4.090
62 HG2 PRO 12 1HG PRO 12 -1.246 -9.605 -3.780
63 HG3 PRO 12 2HG PRO 12 -1.592 -11.069 -4.718
64 HD2 PRO 12 1HD PRO 12 -1.419 -8.619 -5.856
65 HD3 PRO 12 2HD PRO 12 -2.502 -9.883 -6.472
66 H TYR 13 H TYR 13 -2.332 -7.044 -3.827
67 HA TYR 13 HA TYR 13 -3.145 -6.259 -1.105
68 HB2 TYR 13 1HB TYR 13 -0.412 -5.978 -2.372
69 HB3 TYR 13 2HB TYR 13 -0.848 -5.491 -0.738
70 HD1 TYR 13 HD1 TYR 13 -1.430 -7.238 0.949
71 HD2 TYR 13 HD2 TYR 13 0.139 -8.232 -2.879
72 HE1 TYR 13 HE1 TYR 13 -0.845 -9.479 1.778
73 HE2 TYR 13 HE2 TYR 13 0.727 -10.476 -2.061
74 HH TYR 13 HH TYR 13 -0.496 -11.849 0.585
75 H ARG 14 H ARG 14 -4.028 -4.315 -0.938
76 HA ARG 14 HA ARG 14 -3.337 -2.272 -2.944
77 HB2 ARG 14 1HB ARG 14 -5.674 -3.360 -3.121
78 HB3 ARG 14 2HB ARG 14 -6.054 -2.443 -1.670
79 HG2 ARG 14 1HG ARG 14 -5.085 -0.452 -3.121
80 HG3 ARG 14 2HG ARG 14 -5.591 -1.508 -4.442
81 HD2 ARG 14 1HD ARG 14 -7.832 -1.664 -3.271
82 HD3 ARG 14 2HD ARG 14 -7.278 -0.347 -2.238
83 HE ARG 14 HE ARG 14 -6.884 0.634 -4.717
84 HH11 ARG 14 1HH1 ARG 14 -9.622 -0.855 -3.167
85 HH12 ARG 14 2HH1 ARG 14 -10.791 0.024 -4.095
86 HH21 ARG 14 1HH2 ARG 14 -8.413 1.798 -5.945
87 HH22 ARG 14 2HH2 ARG 14 -10.103 1.533 -5.675
88 H CYS 15 H CYS 15 -2.971 -0.230 -2.209
89 HA CYS 15 HA CYS 15 -2.450 0.080 0.594
90 HB2 CYS 15 1HB CYS 15 -1.101 1.088 -1.323
91 HB3 CYS 15 2HB CYS 15 -2.398 2.268 -1.482
92 H ALA 16 H ALA 16 -3.822 0.762 2.091
93 HA ALA 16 HA ALA 16 -6.421 1.780 1.327
94 HB1 ALA 16 3HB ALA 16 -5.270 0.490 3.644
95 HB2 ALA 16 1HB ALA 16 -6.244 1.889 4.097
96 HB3 ALA 16 2HB ALA 16 -6.955 0.595 3.132
97 H GLU 17 H GLU 17 -4.075 3.449 0.811
98 HA GLU 17 HA GLU 17 -4.853 5.785 2.427
99 HB2 GLU 17 1HB GLU 17 -2.079 5.048 1.478
100 HB3 GLU 17 2HB GLU 17 -2.503 6.588 2.212
101 HG2 GLU 17 1HG GLU 17 -2.970 3.976 3.608
102 HG3 GLU 17 2HG GLU 17 -1.434 4.835 3.704
103 H CYS 18 H CYS 18 -3.257 4.782 -0.594
104 HA CYS 18 HA CYS 18 -4.407 7.167 -1.889
105 HB2 CYS 18 1HB CYS 18 -2.583 6.888 -3.578
106 HB3 CYS 18 2HB CYS 18 -2.002 7.258 -1.958
107 H GLY 19 H GLY 19 -3.553 3.757 -2.460
108 HA2 GLY 19 1HA GLY 19 -5.512 2.421 -3.310
109 HA3 GLY 19 2HA GLY 19 -5.669 3.684 -4.521
110 H LYS 20 H LYS 20 -2.543 2.572 -3.461
111 HA LYS 20 HA LYS 20 -1.890 1.779 -6.159
112 HB2 LYS 20 1HB LYS 20 -0.337 3.037 -4.604
113 HB3 LYS 20 2HB LYS 20 -0.153 1.539 -3.702
114 HG2 LYS 20 1HG LYS 20 1.648 1.346 -5.055
115 HG3 LYS 20 2HG LYS 20 0.446 0.611 -6.118
116 HD2 LYS 20 1HD LYS 20 0.817 3.557 -6.258
117 HD3 LYS 20 2HD LYS 20 2.074 2.532 -6.953
118 HE2 LYS 20 1HE LYS 20 0.729 2.722 -8.777
119 HE3 LYS 20 2HE LYS 20 -0.040 1.328 -8.020
120 HZ1 LYS 20 3HZ LYS 20 -1.901 2.515 -8.097
121 HZ2 LYS 20 1HZ LYS 20 -1.085 3.946 -8.483
122 HZ3 LYS 20 2HZ LYS 20 -1.256 3.481 -6.866
123 H ALA 21 H ALA 21 -1.140 -0.279 -6.794
124 HA ALA 21 HA ALA 21 -2.167 -2.470 -5.118
125 HB1 ALA 21 3HB ALA 21 -1.616 -3.342 -7.772
126 HB2 ALA 21 1HB ALA 21 -3.168 -3.237 -6.941
127 HB3 ALA 21 2HB ALA 21 -2.558 -1.853 -7.849
128 H PHE 22 H PHE 22 -0.920 -4.277 -4.715
129 HA PHE 22 HA PHE 22 1.824 -4.312 -5.731
130 HB2 PHE 22 1HB PHE 22 1.074 -4.422 -2.804
131 HB3 PHE 22 2HB PHE 22 2.674 -4.797 -3.434
132 HD1 PHE 22 HD1 PHE 22 4.123 -3.051 -4.275
133 HD2 PHE 22 HD2 PHE 22 0.262 -2.152 -2.725
134 HE1 PHE 22 HE1 PHE 22 4.736 -0.672 -4.138
135 HE2 PHE 22 HE2 PHE 22 0.869 0.229 -2.587
136 HZ PHE 22 HZ PHE 22 3.107 0.972 -3.295
137 H THR 23 H THR 23 2.605 -6.315 -6.121
138 HA THR 23 HA THR 23 0.813 -8.506 -6.173
139 HB THR 23 HB THR 23 2.622 -8.305 -7.807
140 HG1 THR 23 HG1 THR 23 2.950 -10.447 -7.882
141 HG21 THR 23 3HG2 THR 23 4.930 -8.673 -7.224
142 HG22 THR 23 1HG2 THR 23 4.503 -8.960 -5.538
143 HG23 THR 23 2HG2 THR 23 4.305 -7.353 -6.236
144 H ASP 24 H ASP 24 3.460 -7.603 -4.023
145 HA ASP 24 HA ASP 24 2.769 -9.891 -2.300
146 HB2 ASP 24 1HB ASP 24 5.352 -8.473 -2.835
147 HB3 ASP 24 2HB ASP 24 5.107 -9.257 -1.277
148 H ARG 25 H ARG 25 3.239 -9.436 0.081
149 HA ARG 25 HA ARG 25 1.798 -7.019 0.797
150 HB2 ARG 25 1HB ARG 25 1.486 -9.437 1.761
151 HB3 ARG 25 2HB ARG 25 2.835 -8.991 2.798
152 HG2 ARG 25 1HG ARG 25 1.475 -6.939 3.426
153 HG3 ARG 25 2HG ARG 25 0.112 -7.743 2.644
154 HD2 ARG 25 1HD ARG 25 1.723 -9.204 4.692
155 HD3 ARG 25 2HD ARG 25 0.516 -8.027 5.209
156 HE ARG 25 HE ARG 25 -1.149 -9.465 4.526
157 HH11 ARG 25 1HH1 ARG 25 1.941 -10.604 3.396
158 HH12 ARG 25 2HH1 ARG 25 1.335 -12.147 2.894
159 HH21 ARG 25 1HH2 ARG 25 -1.959 -11.494 3.869
160 HH22 ARG 25 2HH2 ARG 25 -0.883 -12.652 3.163
161 H SER 26 H SER 26 4.933 -8.531 1.484
162 HA SER 26 HA SER 26 5.985 -6.743 3.283
163 HB2 SER 26 1HB SER 26 7.255 -8.364 1.092
164 HB3 SER 26 2HB SER 26 8.232 -7.295 2.099
165 HG SER 26 HG SER 26 8.150 -9.394 2.969
166 H ASN 27 H ASN 27 6.027 -6.500 -0.261
167 HA ASN 27 HA ASN 27 7.467 -4.095 -0.422
168 HB2 ASN 27 1HB ASN 27 5.408 -5.249 -2.317
169 HB3 ASN 27 2HB ASN 27 6.484 -3.908 -2.701
170 HD21 ASN 27 1HD2 ASN 27 7.873 -4.667 -4.135
171 HD22 ASN 27 2HD2 ASN 27 8.802 -6.114 -3.971
172 H LEU 28 H LEU 28 3.986 -4.726 -0.240
173 HA LEU 28 HA LEU 28 3.038 -2.146 -0.614
174 HB2 LEU 28 1HB LEU 28 1.411 -3.792 -0.582
175 HB3 LEU 28 2HB LEU 28 2.031 -4.517 0.900
176 HG LEU 28 HG LEU 28 1.195 -2.418 2.083
177 HD11 LEU 28 1HD1 LEU 28 -0.376 -2.137 -0.474
178 HD12 LEU 28 2HD1 LEU 28 0.919 -1.061 0.049
179 HD13 LEU 28 3HD1 LEU 28 -0.567 -1.175 0.991
180 HD21 LEU 28 3HD2 LEU 28 0.125 -4.703 2.081
181 HD22 LEU 28 1HD2 LEU 28 -0.945 -4.108 0.811
182 HD23 LEU 28 2HD2 LEU 28 -0.958 -3.348 2.403
183 H PHE 29 H PHE 29 3.641 -3.756 2.514
184 HA PHE 29 HA PHE 29 3.151 -1.672 4.216
185 HB2 PHE 29 1HB PHE 29 4.996 -4.010 4.316
186 HB3 PHE 29 2HB PHE 29 5.192 -2.759 5.539
187 HD1 PHE 29 HD2 PHE 29 2.651 -5.004 4.022
188 HD2 PHE 29 HD1 PHE 29 3.850 -2.753 7.430
189 HE1 PHE 29 HE2 PHE 29 0.807 -5.991 5.318
190 HE2 PHE 29 HE1 PHE 29 2.008 -3.737 8.732
191 HZ PHE 29 HZ PHE 29 0.483 -5.357 7.676
192 H THR 30 H THR 30 6.080 -2.273 2.345
193 HA THR 30 HA THR 30 7.661 -0.236 3.489
194 HB THR 30 HB THR 30 7.824 -1.432 0.715
195 HG1 THR 30 HG1 THR 30 8.698 -2.231 3.244
196 HG21 THR 30 3HG2 THR 30 9.004 0.821 1.224
197 HG22 THR 30 1HG2 THR 30 9.929 -0.474 0.466
198 HG23 THR 30 2HG2 THR 30 10.101 -0.162 2.193
199 H HIS 31 H HIS 31 5.384 -0.258 0.800
200 HA HIS 31 HA HIS 31 5.992 2.366 -0.118
201 HB2 HIS 31 1HB HIS 31 4.934 1.148 -1.763
202 HB3 HIS 31 2HB HIS 31 3.832 0.371 -0.629
203 HD1 HIS 31 HD1 HIS 31 4.106 3.197 -2.961
204 HD2 HIS 31 HD2 HIS 31 1.600 2.026 0.140
205 HE1 HIS 31 HE1 HIS 31 2.045 4.620 -3.188
206 H GLN 32 H GLN 32 3.711 1.038 2.200
207 HA GLN 32 HA GLN 32 2.036 3.220 2.562
208 HB2 GLN 32 1HB GLN 32 2.995 1.123 4.506
209 HB3 GLN 32 2HB GLN 32 1.781 2.324 4.927
210 HG2 GLN 32 1HG GLN 32 0.525 1.467 2.853
211 HG3 GLN 32 2HG GLN 32 1.602 0.076 2.964
212 HE21 GLN 32 1HE2 GLN 32 -0.088 -1.324 3.422
213 HE22 GLN 32 2HE2 GLN 32 -0.888 -1.336 4.954
214 H LYS 33 H LYS 33 5.348 2.983 3.191
215 HA LYS 33 HA LYS 33 5.695 4.586 5.446
216 HB2 LYS 33 1HB LYS 33 7.411 4.156 3.005
217 HB3 LYS 33 2HB LYS 33 7.932 5.160 4.351
218 HG2 LYS 33 1HG LYS 33 7.622 3.194 5.848
219 HG3 LYS 33 2HG LYS 33 7.299 2.219 4.413
220 HD2 LYS 33 1HD LYS 33 9.540 2.996 3.537
221 HD3 LYS 33 2HD LYS 33 9.844 3.652 5.148
222 HE2 LYS 33 1HE LYS 33 8.962 0.819 4.908
223 HE3 LYS 33 2HE LYS 33 10.622 1.220 4.472
224 HZ1 LYS 33 3HZ LYS 33 9.995 2.472 6.905
225 HZ2 LYS 33 1HZ LYS 33 11.146 1.268 6.607
226 HZ3 LYS 33 2HZ LYS 33 9.564 0.840 7.023
227 H ILE 34 H ILE 34 4.733 5.413 2.236
228 HA ILE 34 HA ILE 34 5.427 8.189 2.390
229 HB ILE 34 HB ILE 34 4.247 8.467 0.330
230 HG12 ILE 34 1HG1 ILE 34 3.132 5.682 0.719
231 HG13 ILE 34 2HG1 ILE 34 2.228 7.166 0.999
232 HG21 ILE 34 1HG2 ILE 34 6.237 7.523 -0.262
233 HG22 ILE 34 2HG2 ILE 34 5.930 6.041 0.643
234 HG23 ILE 34 3HG2 ILE 34 5.136 6.306 -0.909
235 HD11 ILE 34 3HD1 ILE 34 3.274 6.099 -1.603
236 HD12 ILE 34 1HD1 ILE 34 1.599 6.378 -1.129
237 HD13 ILE 34 2HD1 ILE 34 2.676 7.747 -1.409
238 H HIS 35 H HIS 35 3.016 6.333 3.801
239 HA HIS 35 HA HIS 35 1.303 8.702 4.175
240 HB2 HIS 35 1HB HIS 35 0.439 5.812 4.376
241 HB3 HIS 35 2HB HIS 35 -0.597 7.235 4.445
242 HD1 HIS 35 HD1 HIS 35 -0.320 8.763 2.083
243 HD2 HIS 35 HD2 HIS 35 0.394 4.672 1.936
244 HE1 HIS 35 HE1 HIS 35 -0.548 8.127 -0.339
245 H THR 36 H THR 36 1.849 5.577 5.807
246 HA THR 36 HA THR 36 1.949 5.048 8.030
247 HB THR 36 HB THR 36 3.691 6.104 9.266
248 HG1 THR 36 HG1 THR 36 4.573 8.151 8.191
249 HG21 THR 36 3HG2 THR 36 5.323 6.615 7.142
250 HG22 THR 36 1HG2 THR 36 4.066 5.633 6.392
251 HG23 THR 36 2HG2 THR 36 4.969 5.006 7.771
252 H GLY 37 H GLY 37 -0.352 6.580 7.324
253 HA2 GLY 37 1HA GLY 37 -2.133 7.267 8.696
254 HA3 GLY 37 2HA GLY 37 -0.980 7.644 9.967
255 H GLU 38 H GLU 38 -2.235 9.623 10.197
256 HA GLU 38 HA GLU 38 -2.086 11.563 8.055
257 HB2 GLU 38 1HB GLU 38 -3.191 11.663 10.859
258 HB3 GLU 38 2HB GLU 38 -3.149 13.071 9.807
259 HG2 GLU 38 1HG GLU 38 -4.561 10.486 9.191
260 HG3 GLU 38 2HG GLU 38 -5.328 11.950 9.803
261 H LYS 39 H LYS 39 -0.394 12.824 7.716
262 HA LYS 39 HA LYS 39 1.857 12.913 9.406
263 HB2 LYS 39 1HB LYS 39 1.028 14.723 7.132
264 HB3 LYS 39 2HB LYS 39 2.601 14.784 7.915
265 HG2 LYS 39 1HG LYS 39 3.179 12.630 7.129
266 HG3 LYS 39 2HG LYS 39 1.525 12.300 6.610
267 HD2 LYS 39 1HD LYS 39 2.650 12.819 4.627
268 HD3 LYS 39 2HD LYS 39 1.821 14.319 5.052
269 HE2 LYS 39 1HE LYS 39 3.853 15.234 5.969
270 HE3 LYS 39 2HE LYS 39 4.695 13.704 5.727
271 HZ1 LYS 39 3HZ LYS 39 5.025 15.564 4.018
272 HZ2 LYS 39 1HZ LYS 39 3.491 15.137 3.446
273 HZ3 LYS 39 2HZ LYS 39 4.742 13.998 3.444
274 HA PRO 40 HA PRO 40 0.758 15.976 12.370
275 HB2 PRO 40 1HB PRO 40 3.244 16.805 13.078
276 HB3 PRO 40 2HB PRO 40 2.573 15.247 13.575
277 HG2 PRO 40 1HG PRO 40 4.469 15.868 11.343
278 HG3 PRO 40 2HG PRO 40 4.512 14.532 12.508
279 HD2 PRO 40 1HD PRO 40 3.593 14.230 9.979
280 HD3 PRO 40 2HD PRO 40 2.945 13.303 11.348
281 H SER 41 H SER 41 0.382 18.145 12.478
282 HA SER 41 HA SER 41 1.823 19.919 10.644
283 HB2 SER 41 1HB SER 41 -0.168 19.319 9.409
284 HB3 SER 41 2HB SER 41 -1.188 19.658 10.806
285 HG SER 41 HG SER 41 -1.240 21.650 10.177
286 H GLY 42 H GLY 42 2.091 21.993 11.372
287 HA2 GLY 42 1HA GLY 42 0.679 23.477 13.146
288 HA3 GLY 42 2HA GLY 42 1.616 22.417 14.189
289 HA PRO 43 HA PRO 43 5.096 25.062 13.940
290 HB2 PRO 43 1HB PRO 43 7.180 23.333 13.747
291 HB3 PRO 43 2HB PRO 43 6.245 23.548 15.231
292 HG2 PRO 43 1HG PRO 43 6.028 21.409 13.148
293 HG3 PRO 43 2HG PRO 43 5.983 21.259 14.914
294 HD2 PRO 43 1HD PRO 43 3.743 21.232 13.393
295 HD3 PRO 43 2HD PRO 43 3.772 21.898 15.038
296 H SER 44 H SER 44 4.289 23.076 11.314
297 HA SER 44 HA SER 44 6.339 23.329 9.507
298 HB2 SER 44 1HB SER 44 3.389 23.602 8.879
299 HB3 SER 44 2HB SER 44 4.658 23.146 7.742
300 HG SER 44 HG SER 44 4.074 21.207 8.363
301 H SER 45 H SER 45 7.380 24.995 8.657
302 HA SER 45 HA SER 45 5.941 27.498 8.163
303 HB2 SER 45 1HB SER 45 7.576 28.857 9.233
304 HB3 SER 45 2HB SER 45 7.182 27.583 10.387
305 HG SER 45 HG SER 45 9.552 28.169 9.229
306 H GLY 46 H GLY 46 6.934 28.866 6.583
307 HA2 GLY 46 1HA GLY 46 8.580 29.332 4.929
308 HA3 GLY 46 2HA GLY 46 9.132 27.668 5.052
Start of MODEL 15
1 H1 GLY 1 H GLY 1 6.334 9.686 -23.249
2 HA2 GLY 1 1HA GLY 1 4.050 9.020 -21.967
3 HA3 GLY 1 2HA GLY 1 3.475 9.403 -23.583
4 H SER 2 H SER 2 4.172 6.898 -21.706
5 HA SER 2 HA SER 2 4.612 5.140 -23.960
6 HB2 SER 2 1HB SER 2 6.628 5.374 -21.719
7 HB3 SER 2 2HB SER 2 6.543 3.988 -22.806
8 HG SER 2 HG SER 2 7.071 5.299 -24.509
9 H SER 3 H SER 3 4.820 2.773 -23.036
10 HA SER 3 HA SER 3 2.500 1.902 -22.051
11 HB2 SER 3 1HB SER 3 5.276 0.860 -21.561
12 HB3 SER 3 2HB SER 3 3.880 0.043 -20.859
13 HG SER 3 HG SER 3 3.805 0.685 -23.577
14 H GLY 4 H GLY 4 5.260 2.512 -19.865
15 HA2 GLY 4 1HA GLY 4 5.294 2.886 -17.588
16 HA3 GLY 4 2HA GLY 4 4.059 4.072 -17.983
17 H SER 5 H SER 5 2.382 3.899 -16.668
18 HA SER 5 HA SER 5 1.732 1.324 -15.470
19 HB2 SER 5 1HB SER 5 0.151 2.661 -14.077
20 HB3 SER 5 2HB SER 5 1.820 3.221 -13.962
21 HG SER 5 HG SER 5 -0.396 4.435 -15.150
22 H SER 6 H SER 6 0.506 0.035 -16.686
23 HA SER 6 HA SER 6 -1.784 1.225 -18.110
24 HB2 SER 6 1HB SER 6 -0.243 0.236 -19.684
25 HB3 SER 6 2HB SER 6 -0.177 -1.258 -18.749
26 HG SER 6 HG SER 6 -2.682 -0.395 -19.606
27 H GLY 7 H GLY 7 -3.642 0.877 -17.097
28 HA2 GLY 7 1HA GLY 7 -5.344 -0.780 -16.558
29 HA3 GLY 7 2HA GLY 7 -4.071 -1.767 -15.854
30 H THR 8 H THR 8 -6.506 -0.973 -14.579
31 HA THR 8 HA THR 8 -6.053 1.197 -12.799
32 HB THR 8 HB THR 8 -7.982 0.311 -11.532
33 HG1 THR 8 HG1 THR 8 -8.349 -1.700 -13.456
34 HG21 THR 8 3HG2 THR 8 -8.029 1.507 -13.938
35 HG22 THR 8 1HG2 THR 8 -9.489 1.068 -13.052
36 HG23 THR 8 2HG2 THR 8 -8.885 0.017 -14.334
37 H GLY 9 H GLY 9 -5.638 -2.311 -12.535
38 HA2 GLY 9 1HA GLY 9 -3.518 -2.739 -11.133
39 HA3 GLY 9 2HA GLY 9 -4.439 -1.929 -9.874
40 H GLU 10 H GLU 10 -3.662 -4.884 -11.227
41 HA GLU 10 HA GLU 10 -5.970 -6.170 -9.920
42 HB2 GLU 10 1HB GLU 10 -4.399 -7.014 -12.353
43 HB3 GLU 10 2HB GLU 10 -5.469 -8.108 -11.486
44 HG2 GLU 10 1HG GLU 10 -6.220 -5.580 -12.927
45 HG3 GLU 10 2HG GLU 10 -6.648 -7.234 -13.360
46 H LYS 11 H LYS 11 -4.878 -6.240 -7.916
47 HA LYS 11 HA LYS 11 -3.005 -8.466 -7.717
48 HB2 LYS 11 1HB LYS 11 -2.421 -5.646 -6.874
49 HB3 LYS 11 2HB LYS 11 -1.694 -6.995 -6.013
50 HG2 LYS 11 1HG LYS 11 -0.345 -7.566 -7.755
51 HG3 LYS 11 2HG LYS 11 -1.471 -6.958 -8.971
52 HD2 LYS 11 1HD LYS 11 -0.898 -4.657 -8.333
53 HD3 LYS 11 2HD LYS 11 0.245 -5.278 -7.140
54 HE2 LYS 11 1HE LYS 11 1.369 -6.484 -9.075
55 HE3 LYS 11 2HE LYS 11 0.379 -5.485 -10.138
56 HZ1 LYS 11 3HZ LYS 11 1.345 -3.536 -8.854
57 HZ2 LYS 11 1HZ LYS 11 2.381 -4.338 -9.925
58 HZ3 LYS 11 2HZ LYS 11 2.496 -4.626 -8.263
59 HA PRO 12 HA PRO 12 -5.275 -9.481 -4.101
60 HB2 PRO 12 1HB PRO 12 -3.359 -10.598 -2.535
61 HB3 PRO 12 2HB PRO 12 -4.010 -11.395 -3.972
62 HG2 PRO 12 1HG PRO 12 -1.466 -9.850 -3.652
63 HG3 PRO 12 2HG PRO 12 -1.748 -11.376 -4.509
64 HD2 PRO 12 1HD PRO 12 -1.572 -8.997 -5.790
65 HD3 PRO 12 2HD PRO 12 -2.605 -10.319 -6.369
66 H TYR 13 H TYR 13 -2.383 -7.536 -3.726
67 HA TYR 13 HA TYR 13 -3.394 -6.532 -1.152
68 HB2 TYR 13 1HB TYR 13 -0.619 -6.161 -2.288
69 HB3 TYR 13 2HB TYR 13 -1.154 -5.825 -0.645
70 HD1 TYR 13 HD1 TYR 13 -1.648 -7.692 0.902
71 HD2 TYR 13 HD2 TYR 13 -0.015 -8.373 -2.967
72 HE1 TYR 13 HE1 TYR 13 -0.993 -9.962 1.585
73 HE2 TYR 13 HE2 TYR 13 0.644 -10.646 -2.295
74 HH TYR 13 HH TYR 13 -0.546 -12.206 0.326
75 H ARG 14 H ARG 14 -3.371 -4.264 -0.752
76 HA ARG 14 HA ARG 14 -2.899 -2.436 -2.933
77 HB2 ARG 14 1HB ARG 14 -5.212 -3.376 -3.327
78 HB3 ARG 14 2HB ARG 14 -5.696 -2.619 -1.815
79 HG2 ARG 14 1HG ARG 14 -4.806 -0.446 -2.868
80 HG3 ARG 14 2HG ARG 14 -4.892 -1.332 -4.392
81 HD2 ARG 14 1HD ARG 14 -6.933 -0.109 -4.112
82 HD3 ARG 14 2HD ARG 14 -7.279 -1.825 -3.899
83 HE ARG 14 HE ARG 14 -6.748 -0.402 -1.449
84 HH11 ARG 14 1HH1 ARG 14 -9.167 -1.386 -3.751
85 HH12 ARG 14 2HH1 ARG 14 -10.477 -1.262 -2.624
86 HH21 ARG 14 1HH2 ARG 14 -8.464 -0.236 0.045
87 HH22 ARG 14 2HH2 ARG 14 -10.076 -0.607 -0.465
88 H CYS 15 H CYS 15 -2.904 -0.239 -2.283
89 HA CYS 15 HA CYS 15 -2.319 0.106 0.530
90 HB2 CYS 15 1HB CYS 15 -0.963 1.126 -1.355
91 HB3 CYS 15 2HB CYS 15 -2.310 2.229 -1.617
92 H ALA 16 H ALA 16 -3.743 0.744 1.995
93 HA ALA 16 HA ALA 16 -6.353 1.699 1.166
94 HB1 ALA 16 3HB ALA 16 -6.904 1.536 3.574
95 HB2 ALA 16 1HB ALA 16 -6.281 0.030 2.900
96 HB3 ALA 16 2HB ALA 16 -5.239 1.052 3.892
97 H GLU 17 H GLU 17 -4.013 3.421 0.766
98 HA GLU 17 HA GLU 17 -4.881 5.707 2.409
99 HB2 GLU 17 1HB GLU 17 -2.077 5.101 1.455
100 HB3 GLU 17 2HB GLU 17 -2.566 6.565 2.295
101 HG2 GLU 17 1HG GLU 17 -2.944 3.846 3.498
102 HG3 GLU 17 2HG GLU 17 -1.436 4.744 3.661
103 H CYS 18 H CYS 18 -3.147 4.865 -0.591
104 HA CYS 18 HA CYS 18 -4.293 7.268 -1.841
105 HB2 CYS 18 1HB CYS 18 -2.508 6.921 -3.572
106 HB3 CYS 18 2HB CYS 18 -1.897 7.275 -1.960
107 H GLY 19 H GLY 19 -3.734 3.805 -2.350
108 HA2 GLY 19 1HA GLY 19 -5.655 2.543 -3.243
109 HA3 GLY 19 2HA GLY 19 -5.887 3.868 -4.374
110 H LYS 20 H LYS 20 -2.827 2.360 -3.459
111 HA LYS 20 HA LYS 20 -2.328 1.792 -6.280
112 HB2 LYS 20 1HB LYS 20 -0.669 3.005 -4.757
113 HB3 LYS 20 2HB LYS 20 -0.382 1.441 -4.005
114 HG2 LYS 20 1HG LYS 20 0.426 0.529 -6.068
115 HG3 LYS 20 2HG LYS 20 -0.022 1.996 -6.941
116 HD2 LYS 20 1HD LYS 20 1.597 3.273 -5.619
117 HD3 LYS 20 2HD LYS 20 2.045 1.804 -4.749
118 HE2 LYS 20 1HE LYS 20 2.331 2.234 -7.722
119 HE3 LYS 20 2HE LYS 20 3.636 2.360 -6.544
120 HZ1 LYS 20 3HZ LYS 20 2.540 -0.086 -6.060
121 HZ2 LYS 20 1HZ LYS 20 3.963 0.209 -6.926
122 HZ3 LYS 20 2HZ LYS 20 2.495 0.030 -7.747
123 H ALA 21 H ALA 21 -1.256 -0.270 -6.848
124 HA ALA 21 HA ALA 21 -2.411 -2.488 -5.292
125 HB1 ALA 21 3HB ALA 21 -2.726 -3.699 -7.260
126 HB2 ALA 21 1HB ALA 21 -3.168 -2.050 -7.705
127 HB3 ALA 21 2HB ALA 21 -1.594 -2.697 -8.169
128 H PHE 22 H PHE 22 -1.167 -4.271 -4.794
129 HA PHE 22 HA PHE 22 1.651 -4.246 -5.589
130 HB2 PHE 22 1HB PHE 22 0.655 -4.404 -2.738
131 HB3 PHE 22 2HB PHE 22 2.306 -4.766 -3.229
132 HD1 PHE 22 HD2 PHE 22 -0.186 -2.129 -2.766
133 HD2 PHE 22 HD1 PHE 22 3.830 -3.014 -3.864
134 HE1 PHE 22 HE2 PHE 22 0.394 0.252 -2.552
135 HE2 PHE 22 HE1 PHE 22 4.416 -0.634 -3.650
136 HZ PHE 22 HZ PHE 22 2.697 1.002 -2.995
137 H THR 23 H THR 23 2.431 -6.213 -6.059
138 HA THR 23 HA THR 23 0.687 -8.442 -6.183
139 HB THR 23 HB THR 23 2.497 -8.165 -7.801
140 HG1 THR 23 HG1 THR 23 1.742 -10.359 -6.824
141 HG21 THR 23 3HG2 THR 23 4.154 -7.187 -6.241
142 HG22 THR 23 1HG2 THR 23 4.818 -8.510 -7.200
143 HG23 THR 23 2HG2 THR 23 4.373 -8.779 -5.515
144 H ASP 24 H ASP 24 3.135 -7.417 -3.900
145 HA ASP 24 HA ASP 24 2.456 -9.741 -2.221
146 HB2 ASP 24 1HB ASP 24 4.804 -9.749 -3.223
147 HB3 ASP 24 2HB ASP 24 5.141 -8.368 -2.183
148 H ARG 25 H ARG 25 3.074 -9.298 0.145
149 HA ARG 25 HA ARG 25 1.801 -6.798 0.891
150 HB2 ARG 25 1HB ARG 25 1.194 -8.992 1.945
151 HB3 ARG 25 2HB ARG 25 2.789 -9.018 2.685
152 HG2 ARG 25 1HG ARG 25 1.461 -8.182 4.374
153 HG3 ARG 25 2HG ARG 25 2.122 -6.715 3.648
154 HD2 ARG 25 1HD ARG 25 -0.113 -6.181 3.827
155 HD3 ARG 25 2HD ARG 25 -0.025 -6.803 2.179
156 HE ARG 25 HE ARG 25 -1.382 -8.531 2.806
157 HH11 ARG 25 1HH1 ARG 25 -0.035 -7.063 5.661
158 HH12 ARG 25 2HH1 ARG 25 -1.002 -7.996 6.755
159 HH21 ARG 25 1HH2 ARG 25 -2.660 -9.765 4.236
160 HH22 ARG 25 2HH2 ARG 25 -2.494 -9.533 5.943
161 H SER 26 H SER 26 4.864 -8.482 1.537
162 HA SER 26 HA SER 26 6.108 -6.758 3.236
163 HB2 SER 26 1HB SER 26 8.244 -7.487 2.266
164 HB3 SER 26 2HB SER 26 7.130 -8.846 2.420
165 HG SER 26 HG SER 26 6.582 -8.231 0.118
166 H ASN 27 H ASN 27 5.799 -6.397 -0.271
167 HA ASN 27 HA ASN 27 7.356 -4.030 -0.450
168 HB2 ASN 27 1HB ASN 27 5.429 -5.439 -2.260
169 HB3 ASN 27 2HB ASN 27 5.959 -3.809 -2.664
170 HD21 ASN 27 1HD2 ASN 27 6.498 -5.917 -4.318
171 HD22 ASN 27 2HD2 ASN 27 8.194 -6.247 -4.306
172 H LEU 28 H LEU 28 3.876 -4.636 -0.187
173 HA LEU 28 HA LEU 28 2.931 -2.050 -0.501
174 HB2 LEU 28 1HB LEU 28 1.388 -3.846 -0.417
175 HB3 LEU 28 2HB LEU 28 1.939 -4.333 1.184
176 HG LEU 28 HG LEU 28 0.978 -2.206 2.077
177 HD11 LEU 28 1HD1 LEU 28 -0.387 -2.008 -0.597
178 HD12 LEU 28 2HD1 LEU 28 1.013 -1.037 -0.143
179 HD13 LEU 28 3HD1 LEU 28 -0.493 -0.888 0.761
180 HD21 LEU 28 3HD2 LEU 28 -0.405 -4.555 1.123
181 HD22 LEU 28 1HD2 LEU 28 -1.474 -3.153 1.167
182 HD23 LEU 28 2HD2 LEU 28 -0.618 -3.654 2.625
183 H PHE 29 H PHE 29 3.989 -3.674 2.477
184 HA PHE 29 HA PHE 29 3.444 -1.657 4.294
185 HB2 PHE 29 1HB PHE 29 5.390 -3.908 4.191
186 HB3 PHE 29 2HB PHE 29 5.644 -2.670 5.417
187 HD1 PHE 29 HD2 PHE 29 2.608 -4.345 4.034
188 HD2 PHE 29 HD1 PHE 29 4.938 -3.401 7.469
189 HE1 PHE 29 HE2 PHE 29 0.927 -5.428 5.468
190 HE2 PHE 29 HE1 PHE 29 3.262 -4.483 8.908
191 HZ PHE 29 HZ PHE 29 1.253 -5.498 7.908
192 H THR 30 H THR 30 6.400 -2.175 2.394
193 HA THR 30 HA THR 30 7.919 -0.074 3.390
194 HB THR 30 HB THR 30 7.889 -1.182 0.577
195 HG1 THR 30 HG1 THR 30 9.501 -2.527 1.339
196 HG21 THR 30 3HG2 THR 30 9.677 0.087 0.045
197 HG22 THR 30 1HG2 THR 30 10.359 -0.013 1.668
198 HG23 THR 30 2HG2 THR 30 9.074 1.144 1.321
199 H HIS 31 H HIS 31 5.514 -0.086 0.795
200 HA HIS 31 HA HIS 31 5.925 2.590 -0.026
201 HB2 HIS 31 1HB HIS 31 4.796 1.238 -1.577
202 HB3 HIS 31 2HB HIS 31 3.672 0.628 -0.366
203 HD1 HIS 31 HD1 HIS 31 4.353 3.677 -2.469
204 HD2 HIS 31 HD2 HIS 31 1.368 2.112 -0.040
205 HE1 HIS 31 HE1 HIS 31 2.352 5.159 -2.824
206 H GLN 32 H GLN 32 3.550 1.111 2.166
207 HA GLN 32 HA GLN 32 1.964 3.219 2.808
208 HB2 GLN 32 1HB GLN 32 2.998 0.907 4.369
209 HB3 GLN 32 2HB GLN 32 2.191 2.189 5.262
210 HG2 GLN 32 1HG GLN 32 0.177 1.885 4.053
211 HG3 GLN 32 2HG GLN 32 0.963 0.823 2.886
212 HE21 GLN 32 1HE2 GLN 32 -0.250 -0.969 3.191
213 HE22 GLN 32 2HE2 GLN 32 -0.311 -1.857 4.672
214 H LYS 33 H LYS 33 5.326 2.903 3.474
215 HA LYS 33 HA LYS 33 5.716 4.517 5.674
216 HB2 LYS 33 1HB LYS 33 7.359 4.105 3.186
217 HB3 LYS 33 2HB LYS 33 7.908 5.160 4.482
218 HG2 LYS 33 1HG LYS 33 7.598 3.175 6.031
219 HG3 LYS 33 2HG LYS 33 7.431 2.198 4.570
220 HD2 LYS 33 1HD LYS 33 9.787 4.008 5.042
221 HD3 LYS 33 2HD LYS 33 9.753 2.334 5.599
222 HE2 LYS 33 1HE LYS 33 9.340 1.604 3.279
223 HE3 LYS 33 2HE LYS 33 9.457 3.281 2.750
224 HZ1 LYS 33 3HZ LYS 33 11.713 3.356 3.227
225 HZ2 LYS 33 1HZ LYS 33 11.520 1.811 2.564
226 HZ3 LYS 33 2HZ LYS 33 11.661 2.001 4.238
227 H ILE 34 H ILE 34 5.452 5.519 2.273
228 HA ILE 34 HA ILE 34 5.803 8.268 2.689
229 HB ILE 34 HB ILE 34 4.828 8.610 0.513
230 HG12 ILE 34 1HG1 ILE 34 4.079 5.735 0.226
231 HG13 ILE 34 2HG1 ILE 34 2.984 6.793 1.110
232 HG21 ILE 34 1HG2 ILE 34 6.628 6.259 0.878
233 HG22 ILE 34 2HG2 ILE 34 6.068 6.681 -0.739
234 HG23 ILE 34 3HG2 ILE 34 6.980 7.853 0.212
235 HD11 ILE 34 3HD1 ILE 34 2.149 6.915 -1.021
236 HD12 ILE 34 1HD1 ILE 34 3.215 8.320 -0.980
237 HD13 ILE 34 2HD1 ILE 34 3.745 6.833 -1.768
238 H HIS 35 H HIS 35 3.319 6.285 3.730
239 HA HIS 35 HA HIS 35 1.432 8.542 3.887
240 HB2 HIS 35 1HB HIS 35 0.866 5.572 4.011
241 HB3 HIS 35 2HB HIS 35 -0.341 6.844 4.174
242 HD1 HIS 35 HD1 HIS 35 -0.234 8.570 1.927
243 HD2 HIS 35 HD2 HIS 35 0.938 4.607 1.499
244 HE1 HIS 35 HE1 HIS 35 -0.387 8.086 -0.536
245 H THR 36 H THR 36 3.534 6.607 5.661
246 HA THR 36 HA THR 36 2.057 6.839 8.163
247 HB THR 36 HB THR 36 3.863 5.545 9.165
248 HG1 THR 36 HG1 THR 36 5.527 6.478 7.740
249 HG21 THR 36 3HG2 THR 36 2.428 3.977 8.367
250 HG22 THR 36 1HG2 THR 36 3.792 3.600 7.316
251 HG23 THR 36 2HG2 THR 36 2.475 4.613 6.723
252 H GLY 37 H GLY 37 2.587 9.324 7.215
253 HA2 GLY 37 1HA GLY 37 3.977 10.529 9.348
254 HA3 GLY 37 2HA GLY 37 5.033 10.481 7.943
255 H GLU 38 H GLU 38 4.071 11.379 5.898
256 HA GLU 38 HA GLU 38 2.138 13.522 6.421
257 HB2 GLU 38 1HB GLU 38 3.696 14.898 4.800
258 HB3 GLU 38 2HB GLU 38 4.003 14.857 6.531
259 HG2 GLU 38 1HG GLU 38 5.825 13.448 6.308
260 HG3 GLU 38 2HG GLU 38 5.317 12.879 4.719
261 H LYS 39 H LYS 39 0.516 13.291 5.047
262 HA LYS 39 HA LYS 39 0.939 11.898 2.519
263 HB2 LYS 39 1HB LYS 39 -1.587 12.029 2.391
264 HB3 LYS 39 2HB LYS 39 -0.936 11.084 3.724
265 HG2 LYS 39 1HG LYS 39 -1.360 12.879 5.269
266 HG3 LYS 39 2HG LYS 39 -1.877 13.936 3.952
267 HD2 LYS 39 1HD LYS 39 -3.901 13.197 4.779
268 HD3 LYS 39 2HD LYS 39 -3.603 12.036 3.482
269 HE2 LYS 39 1HE LYS 39 -2.402 10.722 5.445
270 HE3 LYS 39 2HE LYS 39 -3.516 11.668 6.431
271 HZ1 LYS 39 3HZ LYS 39 -5.236 10.808 4.690
272 HZ2 LYS 39 1HZ LYS 39 -4.770 9.828 5.988
273 HZ3 LYS 39 2HZ LYS 39 -4.098 9.578 4.457
274 HA PRO 40 HA PRO 40 1.012 15.604 0.134
275 HB2 PRO 40 1HB PRO 40 0.327 14.551 -2.272
276 HB3 PRO 40 2HB PRO 40 1.920 14.323 -1.542
277 HG2 PRO 40 1HG PRO 40 -0.430 12.469 -1.579
278 HG3 PRO 40 2HG PRO 40 1.287 12.105 -1.834
279 HD2 PRO 40 1HD PRO 40 0.035 11.643 0.522
280 HD3 PRO 40 2HD PRO 40 1.750 12.091 0.423
281 H SER 41 H SER 41 -1.792 13.452 -0.142
282 HA SER 41 HA SER 41 -3.600 14.961 -1.490
283 HB2 SER 41 1HB SER 41 -5.348 13.811 -0.313
284 HB3 SER 41 2HB SER 41 -3.994 12.691 -0.462
285 HG SER 41 HG SER 41 -4.873 12.712 1.654
286 H GLY 42 H GLY 42 -5.446 16.279 -0.688
287 HA2 GLY 42 1HA GLY 42 -4.968 17.782 1.757
288 HA3 GLY 42 2HA GLY 42 -4.827 18.696 0.263
289 HA PRO 43 HA PRO 43 -9.140 19.497 0.510
290 HB2 PRO 43 1HB PRO 43 -9.624 20.098 -2.093
291 HB3 PRO 43 2HB PRO 43 -8.762 21.187 -1.000
292 HG2 PRO 43 1HG PRO 43 -7.663 19.295 -3.043
293 HG3 PRO 43 2HG PRO 43 -7.173 20.960 -2.682
294 HD2 PRO 43 1HD PRO 43 -5.804 18.808 -1.771
295 HD3 PRO 43 2HD PRO 43 -5.913 20.328 -0.859
296 H SER 44 H SER 44 -10.129 17.559 0.995
297 HA SER 44 HA SER 44 -11.429 16.217 -1.207
298 HB2 SER 44 1HB SER 44 -9.662 14.615 0.657
299 HB3 SER 44 2HB SER 44 -10.649 13.979 -0.660
300 HG SER 44 HG SER 44 -8.236 15.379 -0.749
301 H SER 45 H SER 45 -12.950 14.495 -0.374
302 HA SER 45 HA SER 45 -13.716 14.705 2.406
303 HB2 SER 45 1HB SER 45 -15.855 15.669 2.106
304 HB3 SER 45 2HB SER 45 -14.767 16.688 1.164
305 HG SER 45 HG SER 45 -16.096 16.275 -0.408
306 H GLY 46 H GLY 46 -15.904 13.445 2.695
307 HA2 GLY 46 1HA GLY 46 -16.559 11.435 0.802
308 HA3 GLY 46 2HA GLY 46 -15.457 10.790 2.009
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -24.707 -4.345 -18.102
2 HA2 GLY 1 1HA GLY 1 -24.167 -2.950 -20.519
3 HA3 GLY 1 2HA GLY 1 -23.136 -2.355 -19.226
4 H SER 2 H SER 2 -21.955 -3.464 -21.387
5 HA SER 2 HA SER 2 -21.061 -6.090 -20.390
6 HB2 SER 2 1HB SER 2 -22.355 -6.001 -22.634
7 HB3 SER 2 2HB SER 2 -20.876 -5.295 -23.287
8 HG SER 2 HG SER 2 -21.370 -7.881 -22.376
9 H SER 3 H SER 3 -18.832 -6.608 -20.712
10 HA SER 3 HA SER 3 -17.127 -4.213 -20.895
11 HB2 SER 3 1HB SER 3 -17.268 -5.615 -18.710
12 HB3 SER 3 2HB SER 3 -16.266 -6.776 -19.580
13 HG SER 3 HG SER 3 -14.647 -5.313 -19.692
14 H GLY 4 H GLY 4 -14.846 -4.702 -21.629
15 HA2 GLY 4 1HA GLY 4 -15.013 -6.410 -24.017
16 HA3 GLY 4 2HA GLY 4 -13.891 -5.076 -23.789
17 H SER 5 H SER 5 -12.133 -6.401 -24.369
18 HA SER 5 HA SER 5 -11.245 -8.153 -22.189
19 HB2 SER 5 1HB SER 5 -11.130 -8.827 -25.138
20 HB3 SER 5 2HB SER 5 -10.318 -9.744 -23.870
21 HG SER 5 HG SER 5 -12.183 -10.788 -24.009
22 H SER 6 H SER 6 -9.191 -7.829 -21.582
23 HA SER 6 HA SER 6 -7.252 -6.685 -23.410
24 HB2 SER 6 1HB SER 6 -6.799 -4.706 -22.202
25 HB3 SER 6 2HB SER 6 -8.558 -4.769 -22.301
26 HG SER 6 HG SER 6 -8.512 -4.660 -20.212
27 H GLY 7 H GLY 7 -5.128 -7.063 -22.807
28 HA2 GLY 7 1HA GLY 7 -4.744 -9.210 -20.942
29 HA3 GLY 7 2HA GLY 7 -3.495 -8.416 -21.889
30 H THR 8 H THR 8 -5.560 -7.991 -19.038
31 HA THR 8 HA THR 8 -3.312 -6.638 -17.719
32 HB THR 8 HB THR 8 -4.961 -5.097 -16.606
33 HG1 THR 8 HG1 THR 8 -6.962 -4.830 -17.815
34 HG21 THR 8 3HG2 THR 8 -3.723 -3.976 -18.188
35 HG22 THR 8 1HG2 THR 8 -5.346 -3.764 -18.844
36 HG23 THR 8 2HG2 THR 8 -4.281 -5.002 -19.509
37 H GLY 9 H GLY 9 -3.811 -6.403 -15.284
38 HA2 GLY 9 1HA GLY 9 -5.498 -8.547 -14.245
39 HA3 GLY 9 2HA GLY 9 -3.772 -8.689 -13.943
40 H GLU 10 H GLU 10 -4.874 -8.682 -11.697
41 HA GLU 10 HA GLU 10 -4.621 -5.953 -10.662
42 HB2 GLU 10 1HB GLU 10 -7.039 -6.453 -10.933
43 HB3 GLU 10 2HB GLU 10 -6.847 -7.837 -9.867
44 HG2 GLU 10 1HG GLU 10 -5.975 -6.158 -8.147
45 HG3 GLU 10 2HG GLU 10 -6.659 -4.924 -9.203
46 H LYS 11 H LYS 11 -4.028 -5.833 -8.439
47 HA LYS 11 HA LYS 11 -2.553 -8.197 -7.553
48 HB2 LYS 11 1HB LYS 11 -2.374 -5.266 -6.962
49 HB3 LYS 11 2HB LYS 11 -1.699 -6.421 -5.820
50 HG2 LYS 11 1HG LYS 11 -0.035 -5.546 -7.407
51 HG3 LYS 11 2HG LYS 11 -0.222 -7.299 -7.505
52 HD2 LYS 11 1HD LYS 11 -1.571 -7.096 -9.488
53 HD3 LYS 11 2HD LYS 11 -1.585 -5.336 -9.346
54 HE2 LYS 11 1HE LYS 11 0.743 -5.203 -9.827
55 HE3 LYS 11 2HE LYS 11 0.935 -6.950 -9.686
56 HZ1 LYS 11 3HZ LYS 11 0.068 -7.306 -11.735
57 HZ2 LYS 11 1HZ LYS 11 0.690 -5.756 -12.008
58 HZ3 LYS 11 2HZ LYS 11 -0.956 -5.960 -11.679
59 HA PRO 12 HA PRO 12 -5.328 -9.167 -4.289
60 HB2 PRO 12 1HB PRO 12 -3.606 -10.217 -2.472
61 HB3 PRO 12 2HB PRO 12 -4.068 -11.059 -3.956
62 HG2 PRO 12 1HG PRO 12 -1.600 -9.471 -3.369
63 HG3 PRO 12 2HG PRO 12 -1.757 -11.022 -4.213
64 HD2 PRO 12 1HD PRO 12 -1.452 -8.674 -5.526
65 HD3 PRO 12 2HD PRO 12 -2.393 -10.025 -6.191
66 H TYR 13 H TYR 13 -2.371 -7.442 -3.351
67 HA TYR 13 HA TYR 13 -3.720 -6.332 -1.013
68 HB2 TYR 13 1HB TYR 13 -0.870 -5.897 -1.918
69 HB3 TYR 13 2HB TYR 13 -1.550 -5.517 -0.340
70 HD1 TYR 13 HD1 TYR 13 -2.365 -7.453 1.105
71 HD2 TYR 13 HD2 TYR 13 0.070 -8.003 -2.340
72 HE1 TYR 13 HE1 TYR 13 -1.722 -9.682 1.923
73 HE2 TYR 13 HE2 TYR 13 0.719 -10.234 -1.532
74 HH TYR 13 HH TYR 13 -0.885 -11.881 0.807
75 H ARG 14 H ARG 14 -3.949 -4.105 -0.654
76 HA ARG 14 HA ARG 14 -3.360 -2.273 -2.837
77 HB2 ARG 14 1HB ARG 14 -5.688 -3.328 -3.154
78 HB3 ARG 14 2HB ARG 14 -6.166 -2.373 -1.757
79 HG2 ARG 14 1HG ARG 14 -6.778 -1.011 -3.505
80 HG3 ARG 14 2HG ARG 14 -5.179 -0.385 -3.100
81 HD2 ARG 14 1HD ARG 14 -5.108 -0.560 -5.416
82 HD3 ARG 14 2HD ARG 14 -4.322 -2.043 -4.876
83 HE ARG 14 HE ARG 14 -6.029 -3.240 -5.812
84 HH11 ARG 14 1HH1 ARG 14 -7.028 0.077 -5.467
85 HH12 ARG 14 2HH1 ARG 14 -8.507 -0.141 -6.344
86 HH21 ARG 14 1HH2 ARG 14 -7.972 -3.539 -6.968
87 HH22 ARG 14 2HH2 ARG 14 -9.043 -2.198 -7.197
88 H CYS 15 H CYS 15 -3.103 -0.167 -2.188
89 HA CYS 15 HA CYS 15 -2.761 0.253 0.640
90 HB2 CYS 15 1HB CYS 15 -1.322 1.160 -1.345
91 HB3 CYS 15 2HB CYS 15 -2.534 2.435 -1.405
92 H ALA 16 H ALA 16 -4.479 0.654 1.869
93 HA ALA 16 HA ALA 16 -6.906 1.765 0.892
94 HB1 ALA 16 3HB ALA 16 -5.992 0.533 3.293
95 HB2 ALA 16 1HB ALA 16 -6.818 2.037 3.703
96 HB3 ALA 16 2HB ALA 16 -7.647 0.806 2.749
97 H GLU 17 H GLU 17 -4.023 3.231 1.386
98 HA GLU 17 HA GLU 17 -5.056 5.688 2.557
99 HB2 GLU 17 1HB GLU 17 -2.336 4.674 1.826
100 HB3 GLU 17 2HB GLU 17 -2.588 6.403 2.024
101 HG2 GLU 17 1HG GLU 17 -3.053 4.263 4.086
102 HG3 GLU 17 2HG GLU 17 -1.767 5.469 4.075
103 H CYS 18 H CYS 18 -3.121 4.957 -0.352
104 HA CYS 18 HA CYS 18 -4.383 7.247 -1.682
105 HB2 CYS 18 1HB CYS 18 -2.527 7.052 -3.312
106 HB3 CYS 18 2HB CYS 18 -1.955 7.295 -1.665
107 H GLY 19 H GLY 19 -3.531 3.842 -2.269
108 HA2 GLY 19 1HA GLY 19 -5.366 2.452 -3.188
109 HA3 GLY 19 2HA GLY 19 -5.681 3.778 -4.298
110 H LYS 20 H LYS 20 -2.777 1.968 -3.288
111 HA LYS 20 HA LYS 20 -2.101 1.675 -6.139
112 HB2 LYS 20 1HB LYS 20 -0.556 2.871 -4.369
113 HB3 LYS 20 2HB LYS 20 -0.106 1.221 -3.958
114 HG2 LYS 20 1HG LYS 20 0.562 0.831 -6.282
115 HG3 LYS 20 2HG LYS 20 0.134 2.498 -6.675
116 HD2 LYS 20 1HD LYS 20 1.822 3.324 -5.144
117 HD3 LYS 20 2HD LYS 20 2.206 1.677 -4.640
118 HE2 LYS 20 1HE LYS 20 2.597 1.360 -7.236
119 HE3 LYS 20 2HE LYS 20 2.864 3.101 -7.168
120 HZ1 LYS 20 3HZ LYS 20 4.489 2.632 -5.342
121 HZ2 LYS 20 1HZ LYS 20 4.950 2.066 -6.868
122 HZ3 LYS 20 2HZ LYS 20 4.348 0.988 -5.713
123 H ALA 21 H ALA 21 -1.268 -0.327 -6.884
124 HA ALA 21 HA ALA 21 -2.300 -2.615 -5.378
125 HB1 ALA 21 3HB ALA 21 -2.066 -1.949 -8.188
126 HB2 ALA 21 1HB ALA 21 -1.432 -3.556 -7.831
127 HB3 ALA 21 2HB ALA 21 -3.090 -3.144 -7.391
128 H PHE 22 H PHE 22 -1.050 -4.347 -4.778
129 HA PHE 22 HA PHE 22 1.814 -4.261 -5.386
130 HB2 PHE 22 1HB PHE 22 0.642 -4.499 -2.608
131 HB3 PHE 22 2HB PHE 22 2.337 -4.763 -3.004
132 HD1 PHE 22 HD1 PHE 22 3.773 -2.901 -3.632
133 HD2 PHE 22 HD2 PHE 22 -0.293 -2.291 -2.531
134 HE1 PHE 22 HE1 PHE 22 4.216 -0.498 -3.343
135 HE2 PHE 22 HE2 PHE 22 0.143 0.113 -2.241
136 HZ PHE 22 HZ PHE 22 2.399 1.013 -2.647
137 H THR 23 H THR 23 2.487 -6.171 -6.084
138 HA THR 23 HA THR 23 0.811 -8.456 -6.100
139 HB THR 23 HB THR 23 2.411 -8.134 -7.886
140 HG1 THR 23 HG1 THR 23 2.966 -10.396 -6.243
141 HG21 THR 23 3HG2 THR 23 4.149 -7.321 -5.914
142 HG22 THR 23 1HG2 THR 23 4.575 -7.620 -7.598
143 HG23 THR 23 2HG2 THR 23 4.804 -8.887 -6.393
144 H ASP 24 H ASP 24 3.144 -7.265 -3.867
145 HA ASP 24 HA ASP 24 2.737 -9.640 -2.203
146 HB2 ASP 24 1HB ASP 24 5.378 -8.511 -3.078
147 HB3 ASP 24 2HB ASP 24 5.235 -9.338 -1.530
148 H ARG 25 H ARG 25 2.151 -9.105 -0.207
149 HA ARG 25 HA ARG 25 1.617 -6.570 0.670
150 HB2 ARG 25 1HB ARG 25 1.666 -7.513 2.982
151 HB3 ARG 25 2HB ARG 25 0.735 -8.472 1.839
152 HG2 ARG 25 1HG ARG 25 2.716 -9.962 1.584
153 HG3 ARG 25 2HG ARG 25 3.493 -9.058 2.885
154 HD2 ARG 25 1HD ARG 25 1.682 -9.661 4.400
155 HD3 ARG 25 2HD ARG 25 0.868 -10.528 3.099
156 HE ARG 25 HE ARG 25 3.554 -11.425 3.683
157 HH11 ARG 25 1HH1 ARG 25 0.153 -11.813 4.315
158 HH12 ARG 25 2HH1 ARG 25 0.311 -13.442 4.885
159 HH21 ARG 25 1HH2 ARG 25 3.776 -13.568 4.431
160 HH22 ARG 25 2HH2 ARG 25 2.373 -14.439 4.952
161 H SER 26 H SER 26 4.617 -8.394 1.085
162 HA SER 26 HA SER 26 6.009 -6.831 2.840
163 HB2 SER 26 1HB SER 26 8.067 -7.569 1.687
164 HB3 SER 26 2HB SER 26 6.923 -8.895 1.892
165 HG SER 26 HG SER 26 7.883 -8.728 -0.238
166 H ASN 27 H ASN 27 5.672 -6.297 -0.654
167 HA ASN 27 HA ASN 27 7.279 -3.979 -0.764
168 HB2 ASN 27 1HB ASN 27 5.169 -5.144 -2.558
169 HB3 ASN 27 2HB ASN 27 5.865 -3.564 -2.907
170 HD21 ASN 27 1HD2 ASN 27 6.009 -6.231 -4.259
171 HD22 ASN 27 2HD2 ASN 27 7.699 -6.514 -4.482
172 H LEU 28 H LEU 28 3.790 -4.443 -0.366
173 HA LEU 28 HA LEU 28 2.936 -1.818 -0.511
174 HB2 LEU 28 1HB LEU 28 1.341 -3.576 -0.388
175 HB3 LEU 28 2HB LEU 28 1.959 -4.112 1.173
176 HG LEU 28 HG LEU 28 1.118 -1.984 2.162
177 HD11 LEU 28 1HD1 LEU 28 1.107 -0.766 -0.045
178 HD12 LEU 28 2HD1 LEU 28 -0.328 -0.551 0.958
179 HD13 LEU 28 3HD1 LEU 28 -0.376 -1.642 -0.426
180 HD21 LEU 28 3HD2 LEU 28 -1.373 -2.650 1.767
181 HD22 LEU 28 1HD2 LEU 28 -0.284 -3.757 2.603
182 HD23 LEU 28 2HD2 LEU 28 -0.670 -4.017 0.902
183 H PHE 29 H PHE 29 3.843 -3.596 2.446
184 HA PHE 29 HA PHE 29 3.579 -1.609 4.305
185 HB2 PHE 29 1HB PHE 29 5.711 -3.743 4.119
186 HB3 PHE 29 2HB PHE 29 5.460 -2.738 5.543
187 HD1 PHE 29 HD1 PHE 29 3.133 -2.791 6.617
188 HD2 PHE 29 HD2 PHE 29 4.518 -5.711 3.848
189 HE1 PHE 29 HE1 PHE 29 1.426 -4.367 7.430
190 HE2 PHE 29 HE2 PHE 29 2.813 -7.291 4.655
191 HZ PHE 29 HZ PHE 29 1.264 -6.619 6.448
192 H THR 30 H THR 30 6.440 -2.236 2.292
193 HA THR 30 HA THR 30 8.090 -0.230 3.283
194 HB THR 30 HB THR 30 7.938 -1.281 0.451
195 HG1 THR 30 HG1 THR 30 9.903 -2.015 2.322
196 HG21 THR 30 3HG2 THR 30 9.986 -0.293 -0.003
197 HG22 THR 30 1HG2 THR 30 10.387 -0.098 1.703
198 HG23 THR 30 2HG2 THR 30 9.184 0.952 0.954
199 H HIS 31 H HIS 31 5.465 -0.062 0.965
200 HA HIS 31 HA HIS 31 6.039 2.618 0.124
201 HB2 HIS 31 1HB HIS 31 4.854 1.392 -1.474
202 HB3 HIS 31 2HB HIS 31 3.746 0.722 -0.280
203 HD1 HIS 31 HD1 HIS 31 4.408 3.870 -2.234
204 HD2 HIS 31 HD2 HIS 31 1.468 2.214 0.189
205 HE1 HIS 31 HE1 HIS 31 2.415 5.386 -2.464
206 H GLN 32 H GLN 32 3.537 1.160 2.198
207 HA GLN 32 HA GLN 32 2.050 3.269 2.954
208 HB2 GLN 32 1HB GLN 32 3.125 0.982 4.568
209 HB3 GLN 32 2HB GLN 32 2.131 2.213 5.337
210 HG2 GLN 32 1HG GLN 32 1.254 0.694 2.899
211 HG3 GLN 32 2HG GLN 32 0.935 0.146 4.544
212 HE21 GLN 32 1HE2 GLN 32 -1.132 0.480 4.942
213 HE22 GLN 32 2HE2 GLN 32 -2.005 1.936 4.623
214 H LYS 33 H LYS 33 5.405 2.809 3.677
215 HA LYS 33 HA LYS 33 5.823 4.402 5.876
216 HB2 LYS 33 1HB LYS 33 7.488 3.974 3.404
217 HB3 LYS 33 2HB LYS 33 8.054 4.972 4.737
218 HG2 LYS 33 1HG LYS 33 7.566 2.919 6.205
219 HG3 LYS 33 2HG LYS 33 7.530 2.026 4.683
220 HD2 LYS 33 1HD LYS 33 9.828 3.799 5.482
221 HD3 LYS 33 2HD LYS 33 9.753 2.084 5.896
222 HE2 LYS 33 1HE LYS 33 10.975 2.077 3.927
223 HE3 LYS 33 2HE LYS 33 9.338 1.740 3.365
224 HZ1 LYS 33 3HZ LYS 33 11.023 4.017 2.850
225 HZ2 LYS 33 1HZ LYS 33 9.444 4.434 3.295
226 HZ3 LYS 33 2HZ LYS 33 9.709 3.421 1.966
227 H ILE 34 H ILE 34 5.652 5.445 2.480
228 HA ILE 34 HA ILE 34 6.105 8.167 2.898
229 HB ILE 34 HB ILE 34 5.108 8.559 0.739
230 HG12 ILE 34 1HG1 ILE 34 4.229 5.720 0.464
231 HG13 ILE 34 2HG1 ILE 34 3.195 6.826 1.361
232 HG21 ILE 34 1HG2 ILE 34 6.386 6.979 -0.622
233 HG22 ILE 34 2HG2 ILE 34 7.314 7.525 0.775
234 HG23 ILE 34 3HG2 ILE 34 6.573 5.924 0.779
235 HD11 ILE 34 3HD1 ILE 34 3.722 8.273 -0.875
236 HD12 ILE 34 1HD1 ILE 34 3.700 6.628 -1.509
237 HD13 ILE 34 2HD1 ILE 34 2.301 7.256 -0.637
238 H HIS 35 H HIS 35 3.409 6.244 3.717
239 HA HIS 35 HA HIS 35 1.605 8.539 3.874
240 HB2 HIS 35 1HB HIS 35 1.177 5.574 4.242
241 HB3 HIS 35 2HB HIS 35 -0.068 6.769 4.592
242 HD1 HIS 35 HD1 HIS 35 -0.497 8.447 2.379
243 HD2 HIS 35 HD2 HIS 35 0.993 4.623 1.727
244 HE1 HIS 35 HE1 HIS 35 -0.982 7.939 -0.036
245 H THR 36 H THR 36 2.114 5.785 6.067
246 HA THR 36 HA THR 36 1.298 6.955 8.397
247 HB THR 36 HB THR 36 1.881 4.579 8.242
248 HG1 THR 36 HG1 THR 36 2.906 6.233 10.250
249 HG21 THR 36 3HG2 THR 36 4.017 3.757 7.973
250 HG22 THR 36 1HG2 THR 36 4.775 5.219 8.600
251 HG23 THR 36 2HG2 THR 36 4.094 5.207 6.973
252 H GLY 37 H GLY 37 4.132 7.677 6.599
253 HA2 GLY 37 1HA GLY 37 6.042 8.515 8.295
254 HA3 GLY 37 2HA GLY 37 5.582 9.464 6.889
255 H GLU 38 H GLU 38 3.300 10.622 7.408
256 HA GLU 38 HA GLU 38 3.947 12.466 9.527
257 HB2 GLU 38 1HB GLU 38 1.973 13.709 8.749
258 HB3 GLU 38 2HB GLU 38 3.061 13.315 7.425
259 HG2 GLU 38 1HG GLU 38 1.544 11.290 7.035
260 HG3 GLU 38 2HG GLU 38 0.391 12.128 8.072
261 H LYS 39 H LYS 39 3.466 12.018 11.567
262 HA LYS 39 HA LYS 39 1.462 10.118 12.307
263 HB2 LYS 39 1HB LYS 39 3.665 10.750 13.534
264 HB3 LYS 39 2HB LYS 39 2.718 12.065 14.219
265 HG2 LYS 39 1HG LYS 39 1.174 10.495 15.204
266 HG3 LYS 39 2HG LYS 39 2.009 9.145 14.432
267 HD2 LYS 39 1HD LYS 39 4.048 9.727 15.702
268 HD3 LYS 39 2HD LYS 39 3.146 11.006 16.519
269 HE2 LYS 39 1HE LYS 39 1.509 9.133 17.178
270 HE3 LYS 39 2HE LYS 39 2.810 8.032 16.725
271 HZ1 LYS 39 3HZ LYS 39 2.907 10.138 18.815
272 HZ2 LYS 39 1HZ LYS 39 4.250 9.241 18.310
273 HZ3 LYS 39 2HZ LYS 39 2.945 8.464 19.054
274 HA PRO 40 HA PRO 40 -2.032 12.800 12.490
275 HB2 PRO 40 1HB PRO 40 -3.594 11.307 14.134
276 HB3 PRO 40 2HB PRO 40 -3.305 10.888 12.441
277 HG2 PRO 40 1HG PRO 40 -2.006 9.803 14.910
278 HG3 PRO 40 2HG PRO 40 -2.577 8.935 13.472
279 HD2 PRO 40 1HD PRO 40 0.033 9.539 13.869
280 HD3 PRO 40 2HD PRO 40 -0.695 9.465 12.251
281 H SER 41 H SER 41 -0.855 14.468 13.669
282 HA SER 41 HA SER 41 -0.617 14.456 16.488
283 HB2 SER 41 1HB SER 41 -0.201 16.895 16.236
284 HB3 SER 41 2HB SER 41 0.767 15.923 15.128
285 HG SER 41 HG SER 41 -0.678 16.443 13.478
286 H GLY 42 H GLY 42 -1.898 15.310 18.086
287 HA2 GLY 42 1HA GLY 42 -3.745 16.388 19.023
288 HA3 GLY 42 2HA GLY 42 -4.360 16.689 17.404
289 HA PRO 43 HA PRO 43 -6.251 12.821 19.575
290 HB2 PRO 43 1HB PRO 43 -8.294 13.931 20.975
291 HB3 PRO 43 2HB PRO 43 -6.697 13.640 21.675
292 HG2 PRO 43 1HG PRO 43 -7.853 16.176 20.583
293 HG3 PRO 43 2HG PRO 43 -6.895 15.925 22.054
294 HD2 PRO 43 1HD PRO 43 -5.821 16.892 19.763
295 HD3 PRO 43 2HD PRO 43 -4.900 15.885 20.899
296 H SER 44 H SER 44 -7.779 15.777 18.367
297 HA SER 44 HA SER 44 -9.468 14.113 16.633
298 HB2 SER 44 1HB SER 44 -11.361 15.673 16.998
299 HB3 SER 44 2HB SER 44 -10.889 14.839 18.478
300 HG SER 44 HG SER 44 -9.686 17.295 17.940
301 H SER 45 H SER 45 -9.365 14.687 14.564
302 HA SER 45 HA SER 45 -7.816 16.998 13.803
303 HB2 SER 45 1HB SER 45 -7.629 14.808 12.620
304 HB3 SER 45 2HB SER 45 -9.277 15.025 12.030
305 HG SER 45 HG SER 45 -7.134 15.861 10.866
306 H GLY 46 H GLY 46 -11.127 15.856 13.120
307 HA2 GLY 46 1HA GLY 46 -12.965 17.445 13.414
308 HA3 GLY 46 2HA GLY 46 -11.899 18.686 12.770
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -16.155 12.914 -16.597
2 HA2 GLY 1 1HA GLY 1 -17.762 11.144 -14.906
3 HA3 GLY 1 2HA GLY 1 -17.399 10.598 -16.537
4 H SER 2 H SER 2 -16.621 9.205 -14.232
5 HA SER 2 HA SER 2 -13.798 8.992 -14.723
6 HB2 SER 2 1HB SER 2 -14.817 10.042 -12.086
7 HB3 SER 2 2HB SER 2 -13.258 9.229 -12.228
8 HG SER 2 HG SER 2 -13.429 11.661 -12.485
9 H SER 3 H SER 3 -12.949 7.024 -14.071
10 HA SER 3 HA SER 3 -14.786 5.185 -12.695
11 HB2 SER 3 1HB SER 3 -13.225 4.619 -15.225
12 HB3 SER 3 2HB SER 3 -14.045 3.384 -14.270
13 HG SER 3 HG SER 3 -15.172 4.479 -16.161
14 H GLY 4 H GLY 4 -13.789 3.469 -11.549
15 HA2 GLY 4 1HA GLY 4 -10.884 3.435 -11.369
16 HA3 GLY 4 2HA GLY 4 -11.734 3.952 -9.921
17 H SER 5 H SER 5 -13.884 2.288 -9.836
18 HA SER 5 HA SER 5 -12.630 -0.192 -9.046
19 HB2 SER 5 1HB SER 5 -14.531 1.124 -7.826
20 HB3 SER 5 2HB SER 5 -15.594 0.280 -8.953
21 HG SER 5 HG SER 5 -13.698 -1.258 -7.623
22 H SER 6 H SER 6 -12.013 -0.920 -11.170
23 HA SER 6 HA SER 6 -13.909 -2.719 -12.298
24 HB2 SER 6 1HB SER 6 -14.444 -0.370 -13.301
25 HB3 SER 6 2HB SER 6 -12.992 -0.641 -14.263
26 HG SER 6 HG SER 6 -15.353 -2.205 -14.192
27 H GLY 7 H GLY 7 -12.977 -4.106 -13.917
28 HA2 GLY 7 1HA GLY 7 -10.763 -4.235 -15.280
29 HA3 GLY 7 2HA GLY 7 -10.052 -4.211 -13.673
30 H THR 8 H THR 8 -9.551 -6.303 -15.371
31 HA THR 8 HA THR 8 -11.022 -8.494 -14.064
32 HB THR 8 HB THR 8 -10.641 -9.822 -16.190
33 HG1 THR 8 HG1 THR 8 -9.586 -8.845 -17.732
34 HG21 THR 8 3HG2 THR 8 -12.802 -8.629 -15.445
35 HG22 THR 8 1HG2 THR 8 -12.674 -9.145 -17.126
36 HG23 THR 8 2HG2 THR 8 -12.414 -7.453 -16.700
37 H GLY 9 H GLY 9 -8.613 -7.397 -13.120
38 HA2 GLY 9 1HA GLY 9 -7.073 -9.562 -12.533
39 HA3 GLY 9 2HA GLY 9 -6.399 -8.986 -14.050
40 H GLU 10 H GLU 10 -6.638 -8.480 -10.658
41 HA GLU 10 HA GLU 10 -4.672 -6.311 -10.878
42 HB2 GLU 10 1HB GLU 10 -7.282 -6.270 -9.435
43 HB3 GLU 10 2HB GLU 10 -5.912 -5.452 -8.697
44 HG2 GLU 10 1HG GLU 10 -5.659 -4.021 -10.596
45 HG3 GLU 10 2HG GLU 10 -6.875 -4.925 -11.496
46 H LYS 11 H LYS 11 -3.570 -5.914 -8.735
47 HA LYS 11 HA LYS 11 -2.487 -8.354 -7.783
48 HB2 LYS 11 1HB LYS 11 -2.176 -5.471 -7.019
49 HB3 LYS 11 2HB LYS 11 -1.480 -6.726 -6.003
50 HG2 LYS 11 1HG LYS 11 0.275 -6.158 -7.389
51 HG3 LYS 11 2HG LYS 11 -0.403 -7.577 -8.191
52 HD2 LYS 11 1HD LYS 11 -1.284 -6.344 -9.921
53 HD3 LYS 11 2HD LYS 11 -1.410 -4.875 -8.951
54 HE2 LYS 11 1HE LYS 11 0.772 -4.289 -9.308
55 HE3 LYS 11 2HE LYS 11 1.301 -5.959 -9.510
56 HZ1 LYS 11 3HZ LYS 11 0.049 -4.163 -11.478
57 HZ2 LYS 11 1HZ LYS 11 -0.108 -5.839 -11.651
58 HZ3 LYS 11 2HZ LYS 11 1.428 -5.131 -11.638
59 HA PRO 12 HA PRO 12 -5.117 -9.403 -4.428
60 HB2 PRO 12 1HB PRO 12 -3.337 -10.486 -2.687
61 HB3 PRO 12 2HB PRO 12 -3.839 -11.296 -4.176
62 HG2 PRO 12 1HG PRO 12 -1.361 -9.709 -3.626
63 HG3 PRO 12 2HG PRO 12 -1.537 -11.241 -4.500
64 HD2 PRO 12 1HD PRO 12 -1.281 -8.862 -5.768
65 HD3 PRO 12 2HD PRO 12 -2.235 -10.202 -6.436
66 H TYR 13 H TYR 13 -2.291 -7.427 -3.778
67 HA TYR 13 HA TYR 13 -3.497 -6.479 -1.275
68 HB2 TYR 13 1HB TYR 13 -0.712 -5.992 -2.353
69 HB3 TYR 13 2HB TYR 13 -1.308 -5.533 -0.762
70 HD1 TYR 13 HD1 TYR 13 -2.013 -7.396 0.830
71 HD2 TYR 13 HD2 TYR 13 0.233 -8.107 -2.713
72 HE1 TYR 13 HE1 TYR 13 -1.293 -9.569 1.730
73 HE2 TYR 13 HE2 TYR 13 0.958 -10.282 -1.823
74 HH TYR 13 HH TYR 13 1.008 -11.140 1.121
75 H ARG 14 H ARG 14 -3.383 -4.143 -0.830
76 HA ARG 14 HA ARG 14 -3.042 -2.275 -2.951
77 HB2 ARG 14 1HB ARG 14 -5.172 -3.213 -3.689
78 HB3 ARG 14 2HB ARG 14 -5.871 -2.917 -2.103
79 HG2 ARG 14 1HG ARG 14 -4.728 -0.604 -3.566
80 HG3 ARG 14 2HG ARG 14 -6.258 -1.276 -4.132
81 HD2 ARG 14 1HD ARG 14 -5.790 -0.567 -1.251
82 HD3 ARG 14 2HD ARG 14 -6.364 0.618 -2.424
83 HE ARG 14 HE ARG 14 -7.912 -1.807 -2.357
84 HH11 ARG 14 1HH1 ARG 14 -7.473 1.360 -0.979
85 HH12 ARG 14 2HH1 ARG 14 -9.110 1.489 -0.426
86 HH21 ARG 14 1HH2 ARG 14 -10.070 -1.649 -1.635
87 HH22 ARG 14 2HH2 ARG 14 -10.586 -0.223 -0.799
88 H CYS 15 H CYS 15 -2.725 -0.273 -2.149
89 HA CYS 15 HA CYS 15 -2.676 0.062 0.695
90 HB2 CYS 15 1HB CYS 15 -1.033 1.051 -0.996
91 HB3 CYS 15 2HB CYS 15 -2.281 2.241 -1.352
92 H ALA 16 H ALA 16 -4.307 0.694 1.927
93 HA ALA 16 HA ALA 16 -6.742 1.701 0.767
94 HB1 ALA 16 3HB ALA 16 -6.223 0.189 2.953
95 HB2 ALA 16 1HB ALA 16 -6.470 1.772 3.692
96 HB3 ALA 16 2HB ALA 16 -7.731 1.062 2.682
97 H GLU 17 H GLU 17 -3.913 3.172 1.448
98 HA GLU 17 HA GLU 17 -5.042 5.601 2.600
99 HB2 GLU 17 1HB GLU 17 -2.204 4.853 1.880
100 HB3 GLU 17 2HB GLU 17 -2.674 6.395 2.580
101 HG2 GLU 17 1HG GLU 17 -3.386 3.845 3.959
102 HG3 GLU 17 2HG GLU 17 -1.761 4.513 4.103
103 H CYS 18 H CYS 18 -3.233 4.621 -0.304
104 HA CYS 18 HA CYS 18 -4.156 7.084 -1.624
105 HB2 CYS 18 1HB CYS 18 -2.311 6.602 -3.267
106 HB3 CYS 18 2HB CYS 18 -1.766 6.969 -1.634
107 H GLY 19 H GLY 19 -3.690 3.600 -2.150
108 HA2 GLY 19 1HA GLY 19 -5.591 2.377 -3.109
109 HA3 GLY 19 2HA GLY 19 -5.822 3.742 -4.191
110 H LYS 20 H LYS 20 -2.633 2.562 -3.448
111 HA LYS 20 HA LYS 20 -2.198 1.965 -6.247
112 HB2 LYS 20 1HB LYS 20 -0.587 3.116 -4.494
113 HB3 LYS 20 2HB LYS 20 -0.132 1.452 -4.150
114 HG2 LYS 20 1HG LYS 20 0.406 1.143 -6.540
115 HG3 LYS 20 2HG LYS 20 0.043 2.849 -6.812
116 HD2 LYS 20 1HD LYS 20 1.854 3.545 -5.455
117 HD3 LYS 20 2HD LYS 20 2.085 1.920 -4.805
118 HE2 LYS 20 1HE LYS 20 2.770 1.136 -7.020
119 HE3 LYS 20 2HE LYS 20 2.534 2.758 -7.670
120 HZ1 LYS 20 3HZ LYS 20 4.521 1.945 -5.619
121 HZ2 LYS 20 1HZ LYS 20 4.242 3.543 -6.098
122 HZ3 LYS 20 2HZ LYS 20 4.844 2.420 -7.210
123 H ALA 21 H ALA 21 -1.203 -0.041 -6.961
124 HA ALA 21 HA ALA 21 -2.309 -2.339 -5.508
125 HB1 ALA 21 3HB ALA 21 -3.031 -2.043 -7.833
126 HB2 ALA 21 1HB ALA 21 -1.354 -2.167 -8.364
127 HB3 ALA 21 2HB ALA 21 -2.145 -3.550 -7.607
128 H PHE 22 H PHE 22 -1.071 -4.133 -4.997
129 HA PHE 22 HA PHE 22 1.795 -4.047 -5.558
130 HB2 PHE 22 1HB PHE 22 0.632 -4.253 -2.773
131 HB3 PHE 22 2HB PHE 22 2.325 -4.522 -3.176
132 HD1 PHE 22 HD1 PHE 22 3.771 -2.675 -3.780
133 HD2 PHE 22 HD2 PHE 22 -0.310 -2.035 -2.756
134 HE1 PHE 22 HE1 PHE 22 4.219 -0.270 -3.511
135 HE2 PHE 22 HE2 PHE 22 0.130 0.370 -2.487
136 HZ PHE 22 HZ PHE 22 2.397 1.256 -2.865
137 H THR 23 H THR 23 2.480 -5.976 -6.195
138 HA THR 23 HA THR 23 0.776 -8.242 -6.219
139 HB THR 23 HB THR 23 2.460 -7.896 -7.962
140 HG1 THR 23 HG1 THR 23 1.756 -10.065 -7.360
141 HG21 THR 23 3HG2 THR 23 4.509 -8.553 -5.844
142 HG22 THR 23 1HG2 THR 23 4.211 -6.936 -6.480
143 HG23 THR 23 2HG2 THR 23 4.817 -8.204 -7.545
144 H ASP 24 H ASP 24 3.347 -7.173 -4.103
145 HA ASP 24 HA ASP 24 2.906 -9.569 -2.443
146 HB2 ASP 24 1HB ASP 24 5.225 -9.186 -3.606
147 HB3 ASP 24 2HB ASP 24 5.465 -8.016 -2.311
148 H ARG 25 H ARG 25 2.944 -9.281 -0.173
149 HA ARG 25 HA ARG 25 1.743 -6.860 0.704
150 HB2 ARG 25 1HB ARG 25 1.135 -8.923 1.778
151 HB3 ARG 25 2HB ARG 25 2.807 -9.247 2.215
152 HG2 ARG 25 1HG ARG 25 2.771 -7.264 3.686
153 HG3 ARG 25 2HG ARG 25 1.063 -7.046 3.298
154 HD2 ARG 25 1HD ARG 25 1.159 -8.201 5.370
155 HD3 ARG 25 2HD ARG 25 0.677 -9.377 4.148
156 HE ARG 25 HE ARG 25 2.626 -10.520 4.526
157 HH11 ARG 25 1HH1 ARG 25 2.864 -7.346 5.937
158 HH12 ARG 25 2HH1 ARG 25 4.357 -7.677 6.752
159 HH21 ARG 25 1HH2 ARG 25 4.591 -10.969 5.594
160 HH22 ARG 25 2HH2 ARG 25 5.338 -9.738 6.556
161 H SER 26 H SER 26 4.873 -8.373 1.498
162 HA SER 26 HA SER 26 5.985 -6.579 3.175
163 HB2 SER 26 1HB SER 26 7.467 -7.716 0.794
164 HB3 SER 26 2HB SER 26 8.166 -7.203 2.330
165 HG SER 26 HG SER 26 7.781 -9.135 3.026
166 H ASN 27 H ASN 27 5.931 -6.243 -0.365
167 HA ASN 27 HA ASN 27 7.289 -3.805 -0.521
168 HB2 ASN 27 1HB ASN 27 5.368 -5.251 -2.301
169 HB3 ASN 27 2HB ASN 27 5.801 -3.588 -2.689
170 HD21 ASN 27 1HD2 ASN 27 7.088 -6.807 -2.126
171 HD22 ASN 27 2HD2 ASN 27 8.529 -6.594 -3.055
172 H LEU 28 H LEU 28 3.819 -4.484 -0.235
173 HA LEU 28 HA LEU 28 2.856 -1.885 -0.438
174 HB2 LEU 28 1HB LEU 28 1.274 -3.606 -0.484
175 HB3 LEU 28 2HB LEU 28 1.873 -4.316 1.013
176 HG LEU 28 HG LEU 28 0.966 -2.313 2.220
177 HD11 LEU 28 1HD1 LEU 28 -0.224 -1.765 -0.491
178 HD12 LEU 28 2HD1 LEU 28 0.840 -0.718 0.447
179 HD13 LEU 28 3HD1 LEU 28 -0.800 -1.038 1.009
180 HD21 LEU 28 3HD2 LEU 28 -0.525 -3.932 2.625
181 HD22 LEU 28 1HD2 LEU 28 -0.524 -4.481 0.949
182 HD23 LEU 28 2HD2 LEU 28 -1.529 -3.112 1.427
183 H PHE 29 H PHE 29 3.440 -3.687 2.589
184 HA PHE 29 HA PHE 29 3.028 -1.654 4.386
185 HB2 PHE 29 1HB PHE 29 4.762 -4.086 4.407
186 HB3 PHE 29 2HB PHE 29 4.940 -2.917 5.711
187 HD1 PHE 29 HD2 PHE 29 2.456 -5.052 3.974
188 HD2 PHE 29 HD1 PHE 29 3.457 -2.901 7.508
189 HE1 PHE 29 HE2 PHE 29 0.522 -6.047 5.123
190 HE2 PHE 29 HE1 PHE 29 1.524 -3.893 8.663
191 HZ PHE 29 HZ PHE 29 0.053 -5.467 7.470
192 H THR 30 H THR 30 5.979 -2.387 2.583
193 HA THR 30 HA THR 30 7.633 -0.473 3.828
194 HB THR 30 HB THR 30 7.819 -1.633 1.041
195 HG1 THR 30 HG1 THR 30 8.598 -2.490 3.585
196 HG21 THR 30 3HG2 THR 30 9.988 -0.305 2.665
197 HG22 THR 30 1HG2 THR 30 9.091 0.497 1.376
198 HG23 THR 30 2HG2 THR 30 10.102 -0.900 1.009
199 H HIS 31 H HIS 31 5.357 -0.273 1.170
200 HA HIS 31 HA HIS 31 6.185 2.315 0.283
201 HB2 HIS 31 1HB HIS 31 5.073 1.219 -1.406
202 HB3 HIS 31 2HB HIS 31 3.916 0.473 -0.307
203 HD1 HIS 31 HD1 HIS 31 4.551 3.635 -2.217
204 HD2 HIS 31 HD2 HIS 31 1.592 1.934 0.152
205 HE1 HIS 31 HE1 HIS 31 2.530 5.104 -2.508
206 H GLN 32 H GLN 32 3.465 1.131 2.243
207 HA GLN 32 HA GLN 32 2.025 3.364 2.713
208 HB2 GLN 32 1HB GLN 32 2.805 1.098 4.499
209 HB3 GLN 32 2HB GLN 32 1.918 2.453 5.186
210 HG2 GLN 32 1HG GLN 32 0.147 2.112 3.514
211 HG3 GLN 32 2HG GLN 32 1.027 0.714 2.896
212 HE21 GLN 32 1HE2 GLN 32 -1.600 1.316 4.459
213 HE22 GLN 32 2HE2 GLN 32 -1.617 0.070 5.655
214 H LYS 33 H LYS 33 5.283 2.799 3.721
215 HA LYS 33 HA LYS 33 5.602 4.518 5.851
216 HB2 LYS 33 1HB LYS 33 7.458 3.864 3.566
217 HB3 LYS 33 2HB LYS 33 7.953 4.862 4.927
218 HG2 LYS 33 1HG LYS 33 7.173 2.882 6.379
219 HG3 LYS 33 2HG LYS 33 7.253 1.955 4.879
220 HD2 LYS 33 1HD LYS 33 9.565 3.635 5.791
221 HD3 LYS 33 2HD LYS 33 9.326 1.999 6.410
222 HE2 LYS 33 1HE LYS 33 9.112 1.394 3.874
223 HE3 LYS 33 2HE LYS 33 9.982 2.910 3.643
224 HZ1 LYS 33 3HZ LYS 33 10.944 0.380 4.595
225 HZ2 LYS 33 1HZ LYS 33 11.397 1.669 5.593
226 HZ3 LYS 33 2HZ LYS 33 11.801 1.687 3.951
227 H ILE 34 H ILE 34 5.632 5.295 2.392
228 HA ILE 34 HA ILE 34 6.352 7.954 2.486
229 HB ILE 34 HB ILE 34 5.194 8.268 0.394
230 HG12 ILE 34 1HG1 ILE 34 3.953 5.556 0.505
231 HG13 ILE 34 2HG1 ILE 34 3.159 6.868 1.367
232 HG21 ILE 34 1HG2 ILE 34 7.075 6.271 0.893
233 HG22 ILE 34 2HG2 ILE 34 5.904 5.541 -0.204
234 HG23 ILE 34 3HG2 ILE 34 6.719 7.038 -0.655
235 HD11 ILE 34 3HD1 ILE 34 2.128 6.844 -0.711
236 HD12 ILE 34 1HD1 ILE 34 3.309 8.147 -0.845
237 HD13 ILE 34 2HD1 ILE 34 3.646 6.573 -1.568
238 H HIS 35 H HIS 35 3.406 6.470 3.529
239 HA HIS 35 HA HIS 35 1.908 8.941 3.605
240 HB2 HIS 35 1HB HIS 35 1.306 6.160 4.622
241 HB3 HIS 35 2HB HIS 35 0.196 7.517 4.786
242 HD1 HIS 35 HD1 HIS 35 -1.137 8.203 2.731
243 HD2 HIS 35 HD2 HIS 35 1.643 5.211 1.965
244 HE1 HIS 35 HE1 HIS 35 -1.676 7.358 0.424
245 H THR 36 H THR 36 2.434 6.595 6.223
246 HA THR 36 HA THR 36 2.020 8.229 8.360
247 HB THR 36 HB THR 36 2.367 5.899 8.749
248 HG1 THR 36 HG1 THR 36 4.498 7.399 9.910
249 HG21 THR 36 3HG2 THR 36 3.989 5.538 6.905
250 HG22 THR 36 1HG2 THR 36 4.476 4.768 8.414
251 HG23 THR 36 2HG2 THR 36 5.242 6.273 7.904
252 H GLY 37 H GLY 37 4.834 8.135 6.298
253 HA2 GLY 37 1HA GLY 37 6.587 9.612 6.101
254 HA3 GLY 37 2HA GLY 37 5.737 10.670 7.217
255 H GLU 38 H GLU 38 8.370 8.594 6.794
256 HA GLU 38 HA GLU 38 8.863 8.511 9.697
257 HB2 GLU 38 1HB GLU 38 9.513 6.638 7.478
258 HB3 GLU 38 2HB GLU 38 10.671 6.769 8.794
259 HG2 GLU 38 1HG GLU 38 8.984 6.144 10.398
260 HG3 GLU 38 2HG GLU 38 7.751 6.126 9.139
261 H LYS 39 H LYS 39 9.613 10.733 9.546
262 HA LYS 39 HA LYS 39 12.459 10.824 8.955
263 HB2 LYS 39 1HB LYS 39 10.472 12.741 7.725
264 HB3 LYS 39 2HB LYS 39 12.212 12.995 7.740
265 HG2 LYS 39 1HG LYS 39 12.606 11.254 6.253
266 HG3 LYS 39 2HG LYS 39 11.038 10.506 6.565
267 HD2 LYS 39 1HD LYS 39 10.678 11.475 4.505
268 HD3 LYS 39 2HD LYS 39 10.101 12.742 5.590
269 HE2 LYS 39 1HE LYS 39 12.965 12.750 4.772
270 HE3 LYS 39 2HE LYS 39 11.753 13.277 3.605
271 HZ1 LYS 39 3HZ LYS 39 11.508 14.408 6.265
272 HZ2 LYS 39 1HZ LYS 39 11.336 15.146 4.752
273 HZ3 LYS 39 2HZ LYS 39 12.878 14.890 5.398
274 HA PRO 40 HA PRO 40 12.438 13.098 12.729
275 HB2 PRO 40 1HB PRO 40 14.905 14.216 12.547
276 HB3 PRO 40 2HB PRO 40 14.650 12.506 12.918
277 HG2 PRO 40 1HG PRO 40 15.353 13.795 10.308
278 HG3 PRO 40 2HG PRO 40 16.005 12.316 11.037
279 HD2 PRO 40 1HD PRO 40 14.127 12.272 9.087
280 HD3 PRO 40 2HD PRO 40 14.208 11.040 10.362
281 H SER 41 H SER 41 13.831 14.879 9.964
282 HA SER 41 HA SER 41 11.939 16.967 10.060
283 HB2 SER 41 1HB SER 41 14.428 17.317 11.667
284 HB3 SER 41 2HB SER 41 13.838 18.702 10.749
285 HG SER 41 HG SER 41 11.713 17.895 11.851
286 H GLY 42 H GLY 42 11.901 17.808 8.081
287 HA2 GLY 42 1HA GLY 42 14.390 18.260 6.631
288 HA3 GLY 42 2HA GLY 42 13.268 17.115 5.912
289 HA PRO 43 HA PRO 43 11.248 21.543 5.868
290 HB2 PRO 43 1HB PRO 43 13.033 23.584 5.987
291 HB3 PRO 43 2HB PRO 43 12.254 22.905 7.421
292 HG2 PRO 43 1HG PRO 43 14.984 22.369 6.315
293 HG3 PRO 43 2HG PRO 43 14.488 22.619 7.999
294 HD2 PRO 43 1HD PRO 43 14.946 20.158 6.966
295 HD3 PRO 43 2HD PRO 43 13.736 20.452 8.232
296 H SER 44 H SER 44 13.884 20.233 4.262
297 HA SER 44 HA SER 44 13.658 22.057 1.978
298 HB2 SER 44 1HB SER 44 15.646 19.833 2.501
299 HB3 SER 44 2HB SER 44 15.678 20.935 1.125
300 HG SER 44 HG SER 44 15.811 21.766 3.835
301 H SER 45 H SER 45 11.664 21.385 1.163
302 HA SER 45 HA SER 45 11.553 18.619 0.160
303 HB2 SER 45 1HB SER 45 9.721 19.263 1.696
304 HB3 SER 45 2HB SER 45 9.272 20.564 0.594
305 HG SER 45 HG SER 45 9.471 18.031 -0.516
306 H GLY 46 H GLY 46 10.568 21.929 -0.743
307 HA2 GLY 46 1HA GLY 46 10.366 22.936 -2.797
308 HA3 GLY 46 2HA GLY 46 11.770 21.976 -3.238
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -18.864 8.339 -8.045
2 HA2 GLY 1 1HA GLY 1 -20.859 6.918 -8.822
3 HA3 GLY 1 2HA GLY 1 -20.894 8.056 -10.160
4 H SER 2 H SER 2 -20.342 6.793 -11.848
5 HA SER 2 HA SER 2 -17.603 5.965 -12.070
6 HB2 SER 2 1HB SER 2 -19.020 4.072 -10.875
7 HB3 SER 2 2HB SER 2 -19.520 3.718 -12.529
8 HG SER 2 HG SER 2 -16.797 4.025 -11.861
9 H SER 3 H SER 3 -17.093 5.151 -14.237
10 HA SER 3 HA SER 3 -18.969 6.243 -16.224
11 HB2 SER 3 1HB SER 3 -15.968 6.006 -16.180
12 HB3 SER 3 2HB SER 3 -16.842 6.238 -17.694
13 HG SER 3 HG SER 3 -16.127 8.206 -16.636
14 H GLY 4 H GLY 4 -16.568 3.633 -15.830
15 HA2 GLY 4 1HA GLY 4 -18.329 1.647 -16.845
16 HA3 GLY 4 2HA GLY 4 -17.197 2.154 -18.090
17 H SER 5 H SER 5 -15.580 0.770 -18.277
18 HA SER 5 HA SER 5 -14.881 -1.101 -16.269
19 HB2 SER 5 1HB SER 5 -13.509 -0.277 -18.832
20 HB3 SER 5 2HB SER 5 -12.912 -1.571 -17.794
21 HG SER 5 HG SER 5 -14.201 -2.645 -19.136
22 H SER 6 H SER 6 -14.472 0.242 -14.434
23 HA SER 6 HA SER 6 -12.524 2.252 -14.322
24 HB2 SER 6 1HB SER 6 -13.832 0.493 -12.277
25 HB3 SER 6 2HB SER 6 -12.476 1.515 -11.801
26 HG SER 6 HG SER 6 -14.834 2.429 -13.094
27 H GLY 7 H GLY 7 -12.292 -1.205 -13.493
28 HA2 GLY 7 1HA GLY 7 -10.451 -2.539 -13.113
29 HA3 GLY 7 2HA GLY 7 -9.825 -1.729 -14.541
30 H THR 8 H THR 8 -10.015 -1.553 -11.020
31 HA THR 8 HA THR 8 -8.082 0.544 -10.796
32 HB THR 8 HB THR 8 -8.078 0.005 -8.380
33 HG1 THR 8 HG1 THR 8 -9.749 -1.637 -7.793
34 HG21 THR 8 3HG2 THR 8 -10.246 0.940 -9.940
35 HG22 THR 8 1HG2 THR 8 -9.876 1.313 -8.256
36 HG23 THR 8 2HG2 THR 8 -10.922 -0.053 -8.648
37 H GLY 9 H GLY 9 -7.986 -2.958 -10.118
38 HA2 GLY 9 1HA GLY 9 -5.484 -3.438 -11.210
39 HA3 GLY 9 2HA GLY 9 -5.205 -2.995 -9.532
40 H GLU 10 H GLU 10 -4.940 -5.567 -11.124
41 HA GLU 10 HA GLU 10 -6.860 -7.340 -9.904
42 HB2 GLU 10 1HB GLU 10 -5.637 -7.566 -12.207
43 HB3 GLU 10 2HB GLU 10 -4.351 -8.282 -11.245
44 HG2 GLU 10 1HG GLU 10 -7.199 -9.251 -11.268
45 HG3 GLU 10 2HG GLU 10 -5.899 -9.932 -12.245
46 H LYS 11 H LYS 11 -3.576 -6.303 -9.323
47 HA LYS 11 HA LYS 11 -2.439 -8.168 -7.762
48 HB2 LYS 11 1HB LYS 11 -2.546 -5.191 -7.490
49 HB3 LYS 11 2HB LYS 11 -1.740 -6.134 -6.244
50 HG2 LYS 11 1HG LYS 11 0.020 -5.680 -7.618
51 HG3 LYS 11 2HG LYS 11 -0.519 -7.216 -8.300
52 HD2 LYS 11 1HD LYS 11 -1.582 -6.158 -10.114
53 HD3 LYS 11 2HD LYS 11 -1.521 -4.576 -9.332
54 HE2 LYS 11 1HE LYS 11 0.162 -4.494 -10.956
55 HE3 LYS 11 2HE LYS 11 1.019 -4.814 -9.449
56 HZ1 LYS 11 3HZ LYS 11 0.967 -6.356 -11.808
57 HZ2 LYS 11 1HZ LYS 11 0.342 -7.277 -10.534
58 HZ3 LYS 11 2HZ LYS 11 1.884 -6.595 -10.407
59 HA PRO 12 HA PRO 12 -5.182 -9.089 -4.434
60 HB2 PRO 12 1HB PRO 12 -3.396 -10.277 -2.770
61 HB3 PRO 12 2HB PRO 12 -4.018 -11.059 -4.228
62 HG2 PRO 12 1HG PRO 12 -1.420 -9.633 -3.805
63 HG3 PRO 12 2HG PRO 12 -1.735 -11.154 -4.660
64 HD2 PRO 12 1HD PRO 12 -1.386 -8.801 -5.954
65 HD3 PRO 12 2HD PRO 12 -2.455 -10.080 -6.567
66 H TYR 13 H TYR 13 -2.144 -7.397 -3.842
67 HA TYR 13 HA TYR 13 -3.153 -6.363 -1.302
68 HB2 TYR 13 1HB TYR 13 -0.456 -5.889 -2.582
69 HB3 TYR 13 2HB TYR 13 -0.913 -5.547 -0.917
70 HD1 TYR 13 HD1 TYR 13 -1.209 -7.383 0.691
71 HD2 TYR 13 HD2 TYR 13 0.120 -8.115 -3.284
72 HE1 TYR 13 HE1 TYR 13 -0.449 -9.623 1.364
73 HE2 TYR 13 HE2 TYR 13 0.882 -10.358 -2.623
74 HH TYR 13 HH TYR 13 1.134 -11.800 -0.957
75 H ARG 14 H ARG 14 -3.537 -4.209 -0.906
76 HA ARG 14 HA ARG 14 -3.153 -2.279 -3.057
77 HB2 ARG 14 1HB ARG 14 -5.437 -3.348 -3.310
78 HB3 ARG 14 2HB ARG 14 -5.860 -2.617 -1.768
79 HG2 ARG 14 1HG ARG 14 -5.027 -0.424 -2.972
80 HG3 ARG 14 2HG ARG 14 -5.437 -1.351 -4.417
81 HD2 ARG 14 1HD ARG 14 -7.686 -1.768 -3.409
82 HD3 ARG 14 2HD ARG 14 -7.251 -0.653 -2.114
83 HE ARG 14 HE ARG 14 -7.523 1.114 -3.570
84 HH11 ARG 14 1HH1 ARG 14 -7.636 -1.898 -5.312
85 HH12 ARG 14 2HH1 ARG 14 -8.208 -1.178 -6.780
86 HH21 ARG 14 1HH2 ARG 14 -8.276 2.074 -5.497
87 HH22 ARG 14 2HH2 ARG 14 -8.571 1.081 -6.885
88 H CYS 15 H CYS 15 -3.089 -0.131 -2.368
89 HA CYS 15 HA CYS 15 -2.654 0.181 0.505
90 HB2 CYS 15 1HB CYS 15 -0.995 0.945 -1.319
91 HB3 CYS 15 2HB CYS 15 -2.114 2.279 -1.584
92 H ALA 16 H ALA 16 -4.896 0.158 1.079
93 HA ALA 16 HA ALA 16 -6.949 1.671 0.120
94 HB1 ALA 16 3HB ALA 16 -7.800 1.732 2.493
95 HB2 ALA 16 1HB ALA 16 -7.384 0.135 1.868
96 HB3 ALA 16 2HB ALA 16 -6.283 0.967 2.968
97 H GLU 17 H GLU 17 -4.120 2.795 1.746
98 HA GLU 17 HA GLU 17 -5.030 5.246 2.748
99 HB2 GLU 17 1HB GLU 17 -2.312 4.423 1.723
100 HB3 GLU 17 2HB GLU 17 -2.624 5.956 2.524
101 HG2 GLU 17 1HG GLU 17 -3.019 3.226 3.726
102 HG3 GLU 17 2HG GLU 17 -1.681 4.325 4.058
103 H CYS 18 H CYS 18 -3.248 4.667 -0.291
104 HA CYS 18 HA CYS 18 -4.391 7.162 -1.343
105 HB2 CYS 18 1HB CYS 18 -2.560 7.023 -3.034
106 HB3 CYS 18 2HB CYS 18 -1.981 7.162 -1.377
107 H GLY 19 H GLY 19 -3.872 3.747 -2.093
108 HA2 GLY 19 1HA GLY 19 -5.743 2.584 -3.173
109 HA3 GLY 19 2HA GLY 19 -5.935 4.002 -4.193
110 H LYS 20 H LYS 20 -2.987 2.246 -3.290
111 HA LYS 20 HA LYS 20 -2.391 1.947 -6.147
112 HB2 LYS 20 1HB LYS 20 -0.748 3.086 -4.608
113 HB3 LYS 20 2HB LYS 20 -0.518 1.533 -3.814
114 HG2 LYS 20 1HG LYS 20 0.519 0.595 -5.673
115 HG3 LYS 20 2HG LYS 20 -0.118 1.826 -6.766
116 HD2 LYS 20 1HD LYS 20 1.338 3.493 -5.824
117 HD3 LYS 20 2HD LYS 20 1.879 2.372 -4.572
118 HE2 LYS 20 1HE LYS 20 2.825 0.921 -6.334
119 HE3 LYS 20 2HE LYS 20 2.347 2.113 -7.541
120 HZ1 LYS 20 3HZ LYS 20 3.912 3.619 -6.796
121 HZ2 LYS 20 1HZ LYS 20 4.736 2.150 -6.636
122 HZ3 LYS 20 2HZ LYS 20 4.062 2.894 -5.275
123 H ALA 21 H ALA 21 -1.003 -0.089 -6.607
124 HA ALA 21 HA ALA 21 -2.253 -2.402 -5.272
125 HB1 ALA 21 3HB ALA 21 -3.246 -2.690 -7.273
126 HB2 ALA 21 1HB ALA 21 -2.047 -1.721 -8.129
127 HB3 ALA 21 2HB ALA 21 -1.692 -3.398 -7.713
128 H PHE 22 H PHE 22 -0.986 -4.257 -5.001
129 HA PHE 22 HA PHE 22 1.816 -4.159 -5.786
130 HB2 PHE 22 1HB PHE 22 0.942 -4.377 -2.897
131 HB3 PHE 22 2HB PHE 22 2.586 -4.630 -3.475
132 HD1 PHE 22 HD2 PHE 22 -0.033 -2.156 -2.838
133 HD2 PHE 22 HD1 PHE 22 3.970 -2.779 -4.143
134 HE1 PHE 22 HE2 PHE 22 0.416 0.251 -2.599
135 HE2 PHE 22 HE1 PHE 22 4.426 -0.372 -3.906
136 HZ PHE 22 HZ PHE 22 2.647 1.146 -3.134
137 H THR 23 H THR 23 2.861 -6.184 -5.726
138 HA THR 23 HA THR 23 0.995 -8.453 -5.626
139 HB THR 23 HB THR 23 3.717 -8.429 -6.932
140 HG1 THR 23 HG1 THR 23 2.697 -7.867 -8.822
141 HG21 THR 23 3HG2 THR 23 3.156 -10.646 -6.795
142 HG22 THR 23 1HG2 THR 23 2.343 -10.232 -8.303
143 HG23 THR 23 2HG2 THR 23 1.422 -10.321 -6.801
144 H ASP 24 H ASP 24 2.364 -7.248 -3.297
145 HA ASP 24 HA ASP 24 3.119 -9.637 -1.991
146 HB2 ASP 24 1HB ASP 24 5.175 -9.264 -3.358
147 HB3 ASP 24 2HB ASP 24 5.402 -7.728 -2.526
148 H ARG 25 H ARG 25 2.936 -9.399 0.172
149 HA ARG 25 HA ARG 25 1.799 -7.085 1.248
150 HB2 ARG 25 1HB ARG 25 1.641 -9.410 2.191
151 HB3 ARG 25 2HB ARG 25 3.281 -9.214 2.796
152 HG2 ARG 25 1HG ARG 25 2.039 -8.672 4.645
153 HG3 ARG 25 2HG ARG 25 2.311 -7.081 3.932
154 HD2 ARG 25 1HD ARG 25 0.137 -6.869 3.238
155 HD3 ARG 25 2HD ARG 25 -0.104 -8.610 3.109
156 HE ARG 25 HE ARG 25 0.253 -8.052 5.798
157 HH11 ARG 25 1HH1 ARG 25 -2.002 -7.236 3.275
158 HH12 ARG 25 2HH1 ARG 25 -3.345 -7.054 4.354
159 HH21 ARG 25 1HH2 ARG 25 -1.507 -7.815 7.229
160 HH22 ARG 25 2HH2 ARG 25 -3.062 -7.383 6.604
161 H SER 26 H SER 26 5.113 -8.341 1.602
162 HA SER 26 HA SER 26 6.164 -6.381 3.234
163 HB2 SER 26 1HB SER 26 7.600 -7.732 0.935
164 HB3 SER 26 2HB SER 26 8.352 -6.985 2.344
165 HG SER 26 HG SER 26 7.418 -9.472 2.075
166 H ASN 27 H ASN 27 5.828 -6.358 -0.292
167 HA ASN 27 HA ASN 27 7.165 -3.943 -0.782
168 HB2 ASN 27 1HB ASN 27 4.957 -5.351 -2.286
169 HB3 ASN 27 2HB ASN 27 5.747 -3.896 -2.887
170 HD21 ASN 27 1HD2 ASN 27 5.951 -5.857 -4.538
171 HD22 ASN 27 2HD2 ASN 27 7.492 -6.636 -4.486
172 H LEU 28 H LEU 28 3.740 -4.607 -0.141
173 HA LEU 28 HA LEU 28 2.795 -1.987 -0.461
174 HB2 LEU 28 1HB LEU 28 1.248 -3.793 -0.400
175 HB3 LEU 28 2HB LEU 28 1.799 -4.290 1.198
176 HG LEU 28 HG LEU 28 0.851 -2.170 2.109
177 HD11 LEU 28 1HD1 LEU 28 0.868 -0.830 0.095
178 HD12 LEU 28 2HD1 LEU 28 -0.777 -0.960 0.717
179 HD13 LEU 28 3HD1 LEU 28 -0.282 -1.924 -0.674
180 HD21 LEU 28 3HD2 LEU 28 -0.642 -3.777 2.604
181 HD22 LEU 28 1HD2 LEU 28 -0.663 -4.412 0.958
182 HD23 LEU 28 2HD2 LEU 28 -1.619 -2.986 1.365
183 H PHE 29 H PHE 29 3.473 -3.714 2.589
184 HA PHE 29 HA PHE 29 3.138 -1.632 4.348
185 HB2 PHE 29 1HB PHE 29 4.894 -4.056 4.375
186 HB3 PHE 29 2HB PHE 29 5.055 -2.863 5.660
187 HD1 PHE 29 HD2 PHE 29 2.232 -4.510 3.849
188 HD2 PHE 29 HD1 PHE 29 3.955 -3.415 7.584
189 HE1 PHE 29 HE2 PHE 29 0.323 -5.525 5.023
190 HE2 PHE 29 HE1 PHE 29 2.049 -4.429 8.764
191 HZ PHE 29 HZ PHE 29 0.229 -5.485 7.484
192 H THR 30 H THR 30 5.974 -2.396 2.396
193 HA THR 30 HA THR 30 7.732 -0.518 3.542
194 HB THR 30 HB THR 30 7.727 -1.573 0.707
195 HG1 THR 30 HG1 THR 30 7.929 -3.000 2.770
196 HG21 THR 30 3HG2 THR 30 9.185 0.506 1.580
197 HG22 THR 30 1HG2 THR 30 9.780 -0.655 0.394
198 HG23 THR 30 2HG2 THR 30 10.231 -0.818 2.091
199 H HIS 31 H HIS 31 5.411 -0.280 0.892
200 HA HIS 31 HA HIS 31 6.174 2.346 0.096
201 HB2 HIS 31 1HB HIS 31 5.051 1.265 -1.603
202 HB3 HIS 31 2HB HIS 31 3.900 0.509 -0.505
203 HD1 HIS 31 HD1 HIS 31 4.447 3.548 -2.563
204 HD2 HIS 31 HD2 HIS 31 1.681 2.127 0.192
205 HE1 HIS 31 HE1 HIS 31 2.456 5.071 -2.763
206 H GLN 32 H GLN 32 3.479 1.082 2.043
207 HA GLN 32 HA GLN 32 2.031 3.286 2.601
208 HB2 GLN 32 1HB GLN 32 2.815 0.933 4.242
209 HB3 GLN 32 2HB GLN 32 2.043 2.276 5.074
210 HG2 GLN 32 1HG GLN 32 0.150 2.131 3.516
211 HG3 GLN 32 2HG GLN 32 0.918 0.746 2.740
212 HE21 GLN 32 1HE2 GLN 32 -0.804 -0.605 3.234
213 HE22 GLN 32 2HE2 GLN 32 -1.094 -1.180 4.837
214 H LYS 33 H LYS 33 5.305 2.720 3.555
215 HA LYS 33 HA LYS 33 5.639 4.376 5.730
216 HB2 LYS 33 1HB LYS 33 7.476 3.849 3.395
217 HB3 LYS 33 2HB LYS 33 7.972 4.763 4.812
218 HG2 LYS 33 1HG LYS 33 7.594 2.844 6.230
219 HG3 LYS 33 2HG LYS 33 6.977 1.921 4.858
220 HD2 LYS 33 1HD LYS 33 9.103 1.860 3.822
221 HD3 LYS 33 2HD LYS 33 9.748 3.095 4.906
222 HE2 LYS 33 1HE LYS 33 9.951 1.623 6.673
223 HE3 LYS 33 2HE LYS 33 8.724 0.528 6.038
224 HZ1 LYS 33 3HZ LYS 33 10.470 -0.684 5.396
225 HZ2 LYS 33 1HZ LYS 33 11.561 0.602 5.534
226 HZ3 LYS 33 2HZ LYS 33 10.626 0.432 4.135
227 H ILE 34 H ILE 34 5.616 5.265 2.298
228 HA ILE 34 HA ILE 34 6.311 7.923 2.454
229 HB ILE 34 HB ILE 34 5.094 8.294 0.406
230 HG12 ILE 34 1HG1 ILE 34 3.866 5.573 0.474
231 HG13 ILE 34 2HG1 ILE 34 3.090 6.862 1.388
232 HG21 ILE 34 1HG2 ILE 34 5.765 5.886 -0.671
233 HG22 ILE 34 2HG2 ILE 34 6.895 7.204 -0.364
234 HG23 ILE 34 3HG2 ILE 34 6.727 5.896 0.807
235 HD11 ILE 34 3HD1 ILE 34 3.534 6.671 -1.567
236 HD12 ILE 34 1HD1 ILE 34 2.018 6.847 -0.684
237 HD13 ILE 34 2HD1 ILE 34 3.148 8.199 -0.775
238 H HIS 35 H HIS 35 3.478 6.396 3.652
239 HA HIS 35 HA HIS 35 1.956 8.866 3.821
240 HB2 HIS 35 1HB HIS 35 1.354 6.054 4.754
241 HB3 HIS 35 2HB HIS 35 0.252 7.414 4.946
242 HD1 HIS 35 HD1 HIS 35 -1.118 8.105 2.929
243 HD2 HIS 35 HD2 HIS 35 1.716 5.194 2.057
244 HE1 HIS 35 HE1 HIS 35 -1.658 7.317 0.602
245 H THR 36 H THR 36 3.592 6.595 5.984
246 HA THR 36 HA THR 36 3.138 8.429 8.231
247 HB THR 36 HB THR 36 2.519 6.105 8.655
248 HG1 THR 36 HG1 THR 36 4.612 7.340 10.035
249 HG21 THR 36 3HG2 THR 36 5.004 4.810 8.886
250 HG22 THR 36 1HG2 THR 36 4.994 5.573 7.296
251 HG23 THR 36 2HG2 THR 36 3.707 4.453 7.745
252 H GLY 37 H GLY 37 4.719 9.953 7.398
253 HA2 GLY 37 1HA GLY 37 7.116 9.999 8.685
254 HA3 GLY 37 2HA GLY 37 7.477 9.151 7.189
255 H GLU 38 H GLU 38 7.468 12.110 8.638
256 HA GLU 38 HA GLU 38 7.181 13.518 6.066
257 HB2 GLU 38 1HB GLU 38 6.661 15.533 7.339
258 HB3 GLU 38 2HB GLU 38 5.545 14.237 7.748
259 HG2 GLU 38 1HG GLU 38 7.086 13.774 9.728
260 HG3 GLU 38 2HG GLU 38 7.798 15.348 9.380
261 H LYS 39 H LYS 39 8.727 15.056 5.485
262 HA LYS 39 HA LYS 39 11.215 14.999 7.063
263 HB2 LYS 39 1HB LYS 39 10.933 15.024 4.053
264 HB3 LYS 39 2HB LYS 39 12.455 15.159 4.924
265 HG2 LYS 39 1HG LYS 39 11.667 12.898 6.002
266 HG3 LYS 39 2HG LYS 39 10.692 12.797 4.534
267 HD2 LYS 39 1HD LYS 39 12.598 11.768 3.804
268 HD3 LYS 39 2HD LYS 39 12.989 13.439 3.392
269 HE2 LYS 39 1HE LYS 39 14.383 13.682 5.277
270 HE3 LYS 39 2HE LYS 39 13.754 12.216 6.029
271 HZ1 LYS 39 3HZ LYS 39 15.483 11.179 5.134
272 HZ2 LYS 39 1HZ LYS 39 15.904 12.516 4.185
273 HZ3 LYS 39 2HZ LYS 39 14.768 11.399 3.616
274 HA PRO 40 HA PRO 40 9.837 19.386 6.691
275 HB2 PRO 40 1HB PRO 40 10.605 20.065 9.205
276 HB3 PRO 40 2HB PRO 40 9.033 19.342 8.842
277 HG2 PRO 40 1HG PRO 40 11.520 18.042 9.885
278 HG3 PRO 40 2HG PRO 40 9.837 17.807 10.393
279 HD2 PRO 40 1HD PRO 40 11.118 16.080 8.747
280 HD3 PRO 40 2HD PRO 40 9.373 16.390 8.635
281 H SER 41 H SER 41 11.165 21.395 7.227
282 HA SER 41 HA SER 41 13.878 20.942 6.274
283 HB2 SER 41 1HB SER 41 12.351 22.687 5.265
284 HB3 SER 41 2HB SER 41 12.514 23.595 6.768
285 HG SER 41 HG SER 41 14.340 23.196 4.723
286 H GLY 42 H GLY 42 13.549 20.030 8.854
287 HA2 GLY 42 1HA GLY 42 14.175 20.366 11.071
288 HA3 GLY 42 2HA GLY 42 15.665 20.836 10.266
289 HA PRO 43 HA PRO 43 13.266 24.944 11.163
290 HB2 PRO 43 1HB PRO 43 11.072 24.741 12.749
291 HB3 PRO 43 2HB PRO 43 10.998 24.626 10.986
292 HG2 PRO 43 1HG PRO 43 11.013 22.438 13.029
293 HG3 PRO 43 2HG PRO 43 10.022 22.596 11.567
294 HD2 PRO 43 1HD PRO 43 12.218 21.015 11.675
295 HD3 PRO 43 2HD PRO 43 11.710 21.845 10.190
296 H SER 44 H SER 44 12.743 22.637 13.838
297 HA SER 44 HA SER 44 14.154 24.501 15.623
298 HB2 SER 44 1HB SER 44 11.889 23.970 16.357
299 HB3 SER 44 2HB SER 44 12.244 22.245 16.280
300 HG SER 44 HG SER 44 13.956 22.757 17.863
301 H SER 45 H SER 45 13.890 21.069 14.766
302 HA SER 45 HA SER 45 15.441 19.397 14.763
303 HB2 SER 45 1HB SER 45 16.944 21.454 14.058
304 HB3 SER 45 2HB SER 45 17.626 21.230 15.669
305 HG SER 45 HG SER 45 17.498 19.321 13.574
306 H GLY 46 H GLY 46 13.874 19.834 17.022
307 HA2 GLY 46 1HA GLY 46 15.663 18.764 19.094
308 HA3 GLY 46 2HA GLY 46 14.606 20.110 19.496
Start of MODEL 19
1 H1 GLY 1 H GLY 1 -15.650 13.070 -4.424
2 HA2 GLY 1 1HA GLY 1 -14.813 10.796 -5.081
3 HA3 GLY 1 2HA GLY 1 -14.002 12.101 -5.934
4 H SER 2 H SER 2 -13.710 9.632 -3.517
5 HA SER 2 HA SER 2 -10.874 10.311 -3.137
6 HB2 SER 2 1HB SER 2 -12.317 10.111 -1.095
7 HB3 SER 2 2HB SER 2 -12.558 8.410 -1.491
8 HG SER 2 HG SER 2 -10.722 9.184 0.001
9 H SER 3 H SER 3 -12.962 7.438 -3.470
10 HA SER 3 HA SER 3 -10.685 5.970 -4.589
11 HB2 SER 3 1HB SER 3 -12.010 3.954 -4.200
12 HB3 SER 3 2HB SER 3 -11.934 4.919 -2.726
13 HG SER 3 HG SER 3 -14.088 4.100 -4.042
14 H GLY 4 H GLY 4 -10.531 6.500 -6.709
15 HA2 GLY 4 1HA GLY 4 -12.902 5.924 -8.371
16 HA3 GLY 4 2HA GLY 4 -11.898 7.334 -8.674
17 H SER 5 H SER 5 -11.306 6.729 -10.741
18 HA SER 5 HA SER 5 -9.929 4.173 -11.084
19 HB2 SER 5 1HB SER 5 -11.713 5.073 -12.709
20 HB3 SER 5 2HB SER 5 -10.462 6.186 -13.263
21 HG SER 5 HG SER 5 -9.197 4.414 -13.838
22 H SER 6 H SER 6 -8.551 5.935 -9.480
23 HA SER 6 HA SER 6 -6.434 7.008 -11.218
24 HB2 SER 6 1HB SER 6 -7.148 7.644 -8.347
25 HB3 SER 6 2HB SER 6 -5.728 8.283 -9.175
26 HG SER 6 HG SER 6 -7.652 9.651 -9.200
27 H GLY 7 H GLY 7 -6.516 4.252 -10.862
28 HA2 GLY 7 1HA GLY 7 -4.029 3.422 -10.433
29 HA3 GLY 7 2HA GLY 7 -4.590 3.592 -8.776
30 H THR 8 H THR 8 -5.849 2.232 -11.825
31 HA THR 8 HA THR 8 -7.348 0.209 -10.506
32 HB THR 8 HB THR 8 -7.933 1.048 -12.757
33 HG1 THR 8 HG1 THR 8 -7.694 -1.596 -12.045
34 HG21 THR 8 3HG2 THR 8 -6.374 1.201 -14.339
35 HG22 THR 8 1HG2 THR 8 -6.264 -0.558 -14.379
36 HG23 THR 8 2HG2 THR 8 -5.212 0.367 -13.308
37 H GLY 9 H GLY 9 -6.950 -1.987 -10.288
38 HA2 GLY 9 1HA GLY 9 -4.672 -3.310 -11.321
39 HA3 GLY 9 2HA GLY 9 -4.352 -2.786 -9.675
40 H GLU 10 H GLU 10 -4.728 -5.488 -10.970
41 HA GLU 10 HA GLU 10 -6.970 -6.453 -9.328
42 HB2 GLU 10 1HB GLU 10 -5.724 -7.424 -11.866
43 HB3 GLU 10 2HB GLU 10 -6.502 -8.587 -10.802
44 HG2 GLU 10 1HG GLU 10 -8.577 -7.284 -10.915
45 HG3 GLU 10 2HG GLU 10 -7.792 -6.155 -12.017
46 H LYS 11 H LYS 11 -4.538 -5.814 -8.085
47 HA LYS 11 HA LYS 11 -3.176 -8.355 -7.628
48 HB2 LYS 11 1HB LYS 11 -2.590 -5.628 -6.461
49 HB3 LYS 11 2HB LYS 11 -1.567 -7.053 -6.343
50 HG2 LYS 11 1HG LYS 11 -2.240 -5.518 -8.843
51 HG3 LYS 11 2HG LYS 11 -0.685 -5.568 -8.011
52 HD2 LYS 11 1HD LYS 11 -2.050 -7.965 -9.232
53 HD3 LYS 11 2HD LYS 11 -0.787 -7.021 -10.026
54 HE2 LYS 11 1HE LYS 11 0.724 -7.539 -8.132
55 HE3 LYS 11 2HE LYS 11 -0.535 -8.563 -7.445
56 HZ1 LYS 11 3HZ LYS 11 1.284 -9.096 -9.610
57 HZ2 LYS 11 1HZ LYS 11 -0.321 -9.491 -9.971
58 HZ3 LYS 11 2HZ LYS 11 0.434 -10.174 -8.621
59 HA PRO 12 HA PRO 12 -5.276 -9.327 -3.895
60 HB2 PRO 12 1HB PRO 12 -3.302 -10.572 -2.509
61 HB3 PRO 12 2HB PRO 12 -4.108 -11.305 -3.901
62 HG2 PRO 12 1HG PRO 12 -1.469 -9.900 -3.764
63 HG3 PRO 12 2HG PRO 12 -1.899 -11.392 -4.620
64 HD2 PRO 12 1HD PRO 12 -1.701 -9.000 -5.873
65 HD3 PRO 12 2HD PRO 12 -2.847 -10.255 -6.387
66 H TYR 13 H TYR 13 -2.495 -7.295 -3.890
67 HA TYR 13 HA TYR 13 -3.208 -6.330 -1.198
68 HB2 TYR 13 1HB TYR 13 -0.453 -6.224 -2.438
69 HB3 TYR 13 2HB TYR 13 -0.894 -5.787 -0.791
70 HD1 TYR 13 HD1 TYR 13 -1.575 -7.574 0.814
71 HD2 TYR 13 HD2 TYR 13 0.004 -8.478 -3.032
72 HE1 TYR 13 HE1 TYR 13 -1.101 -9.870 1.555
73 HE2 TYR 13 HE2 TYR 13 0.481 -10.778 -2.302
74 HH TYR 13 HH TYR 13 0.505 -11.724 0.890
75 H ARG 14 H ARG 14 -3.715 -4.237 -1.021
76 HA ARG 14 HA ARG 14 -2.827 -2.345 -3.059
77 HB2 ARG 14 1HB ARG 14 -4.908 -2.935 -4.000
78 HB3 ARG 14 2HB ARG 14 -5.697 -2.990 -2.430
79 HG2 ARG 14 1HG ARG 14 -4.565 -0.402 -3.357
80 HG3 ARG 14 2HG ARG 14 -6.068 -0.982 -4.078
81 HD2 ARG 14 1HD ARG 14 -5.817 -1.036 -1.117
82 HD3 ARG 14 2HD ARG 14 -6.049 0.525 -1.902
83 HE ARG 14 HE ARG 14 -7.998 -0.938 -3.007
84 HH11 ARG 14 1HH1 ARG 14 -7.005 -0.532 0.305
85 HH12 ARG 14 2HH1 ARG 14 -8.594 -0.781 0.948
86 HH21 ARG 14 1HH2 ARG 14 -10.095 -1.267 -2.172
87 HH22 ARG 14 2HH2 ARG 14 -10.351 -1.200 -0.462
88 H CYS 15 H CYS 15 -2.927 -0.148 -2.401
89 HA CYS 15 HA CYS 15 -2.801 0.161 0.495
90 HB2 CYS 15 1HB CYS 15 -1.007 1.023 -1.098
91 HB3 CYS 15 2HB CYS 15 -2.166 2.257 -1.580
92 H ALA 16 H ALA 16 -4.630 0.651 1.505
93 HA ALA 16 HA ALA 16 -6.894 1.791 0.238
94 HB1 ALA 16 3HB ALA 16 -6.523 0.398 2.522
95 HB2 ALA 16 1HB ALA 16 -6.728 2.028 3.165
96 HB3 ALA 16 2HB ALA 16 -7.982 1.316 2.149
97 H GLU 17 H GLU 17 -4.066 3.157 1.581
98 HA GLU 17 HA GLU 17 -5.135 5.672 2.377
99 HB2 GLU 17 1HB GLU 17 -2.329 4.804 1.675
100 HB3 GLU 17 2HB GLU 17 -2.729 6.410 2.269
101 HG2 GLU 17 1HG GLU 17 -3.505 3.969 3.811
102 HG3 GLU 17 2HG GLU 17 -1.880 4.643 3.930
103 H CYS 18 H CYS 18 -3.130 4.776 -0.438
104 HA CYS 18 HA CYS 18 -4.101 7.171 -1.821
105 HB2 CYS 18 1HB CYS 18 -2.258 6.613 -3.460
106 HB3 CYS 18 2HB CYS 18 -1.722 7.034 -1.837
107 H GLY 19 H GLY 19 -3.644 3.683 -2.360
108 HA2 GLY 19 1HA GLY 19 -5.536 2.447 -3.308
109 HA3 GLY 19 2HA GLY 19 -5.816 3.828 -4.357
110 H LYS 20 H LYS 20 -2.748 2.241 -3.580
111 HA LYS 20 HA LYS 20 -2.335 1.813 -6.452
112 HB2 LYS 20 1HB LYS 20 -0.647 3.108 -5.106
113 HB3 LYS 20 2HB LYS 20 -0.295 1.623 -4.232
114 HG2 LYS 20 1HG LYS 20 0.506 0.565 -6.225
115 HG3 LYS 20 2HG LYS 20 -0.016 1.932 -7.213
116 HD2 LYS 20 1HD LYS 20 1.642 3.345 -6.315
117 HD3 LYS 20 2HD LYS 20 1.976 2.238 -4.982
118 HE2 LYS 20 1HE LYS 20 2.849 0.598 -6.601
119 HE3 LYS 20 2HE LYS 20 2.566 1.754 -7.901
120 HZ1 LYS 20 3HZ LYS 20 4.703 1.645 -5.975
121 HZ2 LYS 20 1HZ LYS 20 4.029 3.187 -6.147
122 HZ3 LYS 20 2HZ LYS 20 4.655 2.382 -7.496
123 H ALA 21 H ALA 21 -1.225 -0.184 -7.119
124 HA ALA 21 HA ALA 21 -2.299 -2.477 -5.638
125 HB1 ALA 21 3HB ALA 21 -1.546 -3.622 -7.896
126 HB2 ALA 21 1HB ALA 21 -3.069 -2.741 -7.770
127 HB3 ALA 21 2HB ALA 21 -1.660 -1.967 -8.495
128 H PHE 22 H PHE 22 -1.029 -4.231 -5.061
129 HA PHE 22 HA PHE 22 1.861 -4.019 -5.491
130 HB2 PHE 22 1HB PHE 22 0.520 -4.347 -2.801
131 HB3 PHE 22 2HB PHE 22 2.237 -4.615 -3.084
132 HD1 PHE 22 HD2 PHE 22 -0.435 -2.072 -3.105
133 HD2 PHE 22 HD1 PHE 22 3.755 -2.813 -3.209
134 HE1 PHE 22 HE2 PHE 22 -0.006 0.322 -2.734
135 HE2 PHE 22 HE1 PHE 22 4.191 -0.421 -2.837
136 HZ PHE 22 HZ PHE 22 2.309 1.151 -2.600
137 H THR 23 H THR 23 2.945 -5.961 -5.577
138 HA THR 23 HA THR 23 1.373 -8.260 -6.208
139 HB THR 23 HB THR 23 3.416 -9.368 -6.727
140 HG1 THR 23 HG1 THR 23 4.635 -7.345 -5.139
141 HG21 THR 23 3HG2 THR 23 4.414 -7.891 -8.296
142 HG22 THR 23 1HG2 THR 23 3.963 -6.471 -7.352
143 HG23 THR 23 2HG2 THR 23 2.720 -7.414 -8.176
144 H ASP 24 H ASP 24 3.588 -7.440 -3.553
145 HA ASP 24 HA ASP 24 2.293 -9.533 -1.944
146 HB2 ASP 24 1HB ASP 24 4.561 -9.918 -0.873
147 HB3 ASP 24 2HB ASP 24 4.383 -10.507 -2.523
148 H ARG 25 H ARG 25 3.079 -9.220 0.464
149 HA ARG 25 HA ARG 25 2.086 -6.693 1.286
150 HB2 ARG 25 1HB ARG 25 3.145 -9.121 2.639
151 HB3 ARG 25 2HB ARG 25 3.129 -7.625 3.563
152 HG2 ARG 25 1HG ARG 25 0.786 -7.433 3.405
153 HG3 ARG 25 2HG ARG 25 0.696 -8.670 2.150
154 HD2 ARG 25 1HD ARG 25 1.843 -9.387 4.805
155 HD3 ARG 25 2HD ARG 25 0.095 -9.223 4.650
156 HE ARG 25 HE ARG 25 0.654 -10.850 2.611
157 HH11 ARG 25 1HH1 ARG 25 1.688 -10.907 5.935
158 HH12 ARG 25 2HH1 ARG 25 1.839 -12.632 5.994
159 HH21 ARG 25 1HH2 ARG 25 0.849 -13.121 2.676
160 HH22 ARG 25 2HH2 ARG 25 1.363 -13.890 4.140
161 H SER 26 H SER 26 5.297 -8.177 1.773
162 HA SER 26 HA SER 26 6.722 -6.256 2.946
163 HB2 SER 26 1HB SER 26 7.869 -8.218 2.238
164 HB3 SER 26 2HB SER 26 7.519 -7.898 0.540
165 HG SER 26 HG SER 26 9.706 -7.334 1.507
166 H ASN 27 H ASN 27 6.045 -6.249 -0.550
167 HA ASN 27 HA ASN 27 7.292 -3.802 -1.119
168 HB2 ASN 27 1HB ASN 27 5.098 -5.345 -2.492
169 HB3 ASN 27 2HB ASN 27 5.684 -3.810 -3.125
170 HD21 ASN 27 1HD2 ASN 27 8.116 -3.695 -3.342
171 HD22 ASN 27 2HD2 ASN 27 8.896 -5.092 -3.994
172 H LEU 28 H LEU 28 3.921 -4.556 -0.308
173 HA LEU 28 HA LEU 28 2.940 -1.924 -0.555
174 HB2 LEU 28 1HB LEU 28 1.399 -3.731 -0.563
175 HB3 LEU 28 2HB LEU 28 1.974 -4.312 0.998
176 HG LEU 28 HG LEU 28 1.035 -2.232 2.026
177 HD11 LEU 28 1HD1 LEU 28 1.007 -1.095 -0.314
178 HD12 LEU 28 2HD1 LEU 28 -0.266 -0.736 0.852
179 HD13 LEU 28 3HD1 LEU 28 -0.571 -1.868 -0.465
180 HD21 LEU 28 3HD2 LEU 28 -0.302 -4.067 2.398
181 HD22 LEU 28 1HD2 LEU 28 -0.625 -4.317 0.682
182 HD23 LEU 28 2HD2 LEU 28 -1.416 -2.997 1.545
183 H PHE 29 H PHE 29 3.652 -3.780 2.411
184 HA PHE 29 HA PHE 29 3.309 -1.809 4.276
185 HB2 PHE 29 1HB PHE 29 5.095 -4.196 4.132
186 HB3 PHE 29 2HB PHE 29 5.340 -3.051 5.447
187 HD1 PHE 29 HD2 PHE 29 2.749 -5.154 3.821
188 HD2 PHE 29 HD1 PHE 29 4.016 -3.146 7.353
189 HE1 PHE 29 HE2 PHE 29 0.916 -6.212 5.075
190 HE2 PHE 29 HE1 PHE 29 2.185 -4.201 8.614
191 HZ PHE 29 HZ PHE 29 0.631 -5.736 7.474
192 H THR 30 H THR 30 6.154 -2.391 2.267
193 HA THR 30 HA THR 30 7.855 -0.502 3.470
194 HB THR 30 HB THR 30 7.841 -1.446 0.596
195 HG1 THR 30 HG1 THR 30 8.918 -3.152 1.312
196 HG21 THR 30 3HG2 THR 30 9.767 -0.334 0.246
197 HG22 THR 30 1HG2 THR 30 10.373 -0.674 1.866
198 HG23 THR 30 2HG2 THR 30 9.249 0.660 1.607
199 H HIS 31 H HIS 31 5.515 -0.224 0.836
200 HA HIS 31 HA HIS 31 6.170 2.477 0.196
201 HB2 HIS 31 1HB HIS 31 5.129 1.410 -1.575
202 HB3 HIS 31 2HB HIS 31 3.970 0.588 -0.535
203 HD1 HIS 31 HD1 HIS 31 4.507 3.731 -2.442
204 HD2 HIS 31 HD2 HIS 31 1.691 2.117 0.152
205 HE1 HIS 31 HE1 HIS 31 2.486 5.215 -2.635
206 H GLN 32 H GLN 32 3.426 1.004 1.929
207 HA GLN 32 HA GLN 32 1.898 3.090 2.613
208 HB2 GLN 32 1HB GLN 32 2.852 0.857 4.399
209 HB3 GLN 32 2HB GLN 32 1.614 2.003 4.896
210 HG2 GLN 32 1HG GLN 32 0.185 1.305 3.078
211 HG3 GLN 32 2HG GLN 32 1.440 0.222 2.476
212 HE21 GLN 32 1HE2 GLN 32 -1.082 0.682 4.759
213 HE22 GLN 32 2HE2 GLN 32 -1.021 -0.889 5.476
214 H LYS 33 H LYS 33 5.149 2.542 3.734
215 HA LYS 33 HA LYS 33 5.353 4.115 5.962
216 HB2 LYS 33 1HB LYS 33 7.286 3.783 3.669
217 HB3 LYS 33 2HB LYS 33 7.698 4.643 5.146
218 HG2 LYS 33 1HG LYS 33 7.014 2.497 6.363
219 HG3 LYS 33 2HG LYS 33 7.108 1.730 4.775
220 HD2 LYS 33 1HD LYS 33 9.453 2.837 4.661
221 HD3 LYS 33 2HD LYS 33 9.288 2.968 6.413
222 HE2 LYS 33 1HE LYS 33 8.958 0.394 4.882
223 HE3 LYS 33 2HE LYS 33 10.478 0.913 5.610
224 HZ1 LYS 33 3HZ LYS 33 8.650 -0.587 6.857
225 HZ2 LYS 33 1HZ LYS 33 8.192 0.954 7.385
226 HZ3 LYS 33 2HZ LYS 33 9.767 0.399 7.658
227 H ILE 34 H ILE 34 5.558 5.214 2.585
228 HA ILE 34 HA ILE 34 6.105 7.862 2.886
229 HB ILE 34 HB ILE 34 4.916 8.310 0.842
230 HG12 ILE 34 1HG1 ILE 34 3.697 5.568 0.866
231 HG13 ILE 34 2HG1 ILE 34 2.883 6.901 1.678
232 HG21 ILE 34 1HG2 ILE 34 6.577 5.922 1.150
233 HG22 ILE 34 2HG2 ILE 34 5.623 5.952 -0.332
234 HG23 ILE 34 3HG2 ILE 34 6.731 7.276 0.030
235 HD11 ILE 34 3HD1 ILE 34 2.806 8.139 -0.410
236 HD12 ILE 34 1HD1 ILE 34 3.654 6.828 -1.230
237 HD13 ILE 34 2HD1 ILE 34 2.036 6.562 -0.578
238 H HIS 35 H HIS 35 3.181 6.217 3.783
239 HA HIS 35 HA HIS 35 1.708 8.688 4.184
240 HB2 HIS 35 1HB HIS 35 0.966 5.813 4.761
241 HB3 HIS 35 2HB HIS 35 -0.114 7.190 4.956
242 HD1 HIS 35 HD1 HIS 35 -1.045 8.283 2.800
243 HD2 HIS 35 HD2 HIS 35 1.364 4.964 2.130
244 HE1 HIS 35 HE1 HIS 35 -1.421 7.653 0.394
245 H THR 36 H THR 36 2.579 5.916 6.258
246 HA THR 36 HA THR 36 2.194 7.511 8.640
247 HB THR 36 HB THR 36 1.520 5.166 8.679
248 HG1 THR 36 HG1 THR 36 2.147 5.020 10.707
249 HG21 THR 36 3HG2 THR 36 3.659 4.622 7.159
250 HG22 THR 36 1HG2 THR 36 2.848 3.401 8.139
251 HG23 THR 36 2HG2 THR 36 4.313 4.181 8.736
252 H GLY 37 H GLY 37 3.723 8.920 9.209
253 HA2 GLY 37 1HA GLY 37 6.059 8.630 10.315
254 HA3 GLY 37 2HA GLY 37 6.535 8.273 8.661
255 H GLU 38 H GLU 38 5.226 10.094 7.174
256 HA GLU 38 HA GLU 38 6.770 12.380 7.366
257 HB2 GLU 38 1HB GLU 38 5.293 13.377 5.740
258 HB3 GLU 38 2HB GLU 38 5.497 11.675 5.354
259 HG2 GLU 38 1HG GLU 38 3.322 11.300 6.629
260 HG3 GLU 38 2HG GLU 38 3.111 13.048 6.536
261 H LYS 39 H LYS 39 5.578 14.665 7.426
262 HA LYS 39 HA LYS 39 5.005 15.177 10.123
263 HB2 LYS 39 1HB LYS 39 4.406 16.864 7.685
264 HB3 LYS 39 2HB LYS 39 4.356 17.439 9.347
265 HG2 LYS 39 1HG LYS 39 6.723 17.054 9.598
266 HG3 LYS 39 2HG LYS 39 6.807 16.340 7.985
267 HD2 LYS 39 1HD LYS 39 7.535 18.495 7.585
268 HD3 LYS 39 2HD LYS 39 5.812 18.628 7.225
269 HE2 LYS 39 1HE LYS 39 6.414 20.506 8.563
270 HE3 LYS 39 2HE LYS 39 5.470 19.415 9.576
271 HZ1 LYS 39 3HZ LYS 39 7.616 18.542 10.433
272 HZ2 LYS 39 1HZ LYS 39 7.331 20.163 10.825
273 HZ3 LYS 39 2HZ LYS 39 8.416 19.771 9.588
274 HA PRO 40 HA PRO 40 0.721 14.302 10.553
275 HB2 PRO 40 1HB PRO 40 0.038 16.118 12.452
276 HB3 PRO 40 2HB PRO 40 1.005 14.680 12.801
277 HG2 PRO 40 1HG PRO 40 1.900 17.501 12.347
278 HG3 PRO 40 2HG PRO 40 2.449 16.336 13.566
279 HD2 PRO 40 1HD PRO 40 3.847 16.844 11.304
280 HD3 PRO 40 2HD PRO 40 3.840 15.249 12.084
281 H SER 41 H SER 41 1.852 17.040 9.074
282 HA SER 41 HA SER 41 0.917 18.598 7.704
283 HB2 SER 41 1HB SER 41 -1.213 16.526 7.893
284 HB3 SER 41 2HB SER 41 -1.664 18.095 7.224
285 HG SER 41 HG SER 41 0.363 16.339 6.303
286 H GLY 42 H GLY 42 1.196 19.486 10.182
287 HA2 GLY 42 1HA GLY 42 0.267 21.639 10.909
288 HA3 GLY 42 2HA GLY 42 -1.328 20.930 10.708
289 HA PRO 43 HA PRO 43 0.114 20.588 15.166
290 HB2 PRO 43 1HB PRO 43 -1.919 22.028 16.245
291 HB3 PRO 43 2HB PRO 43 -0.407 22.762 15.697
292 HG2 PRO 43 1HG PRO 43 -3.052 22.606 14.303
293 HG3 PRO 43 2HG PRO 43 -1.931 23.974 14.425
294 HD2 PRO 43 1HD PRO 43 -2.082 22.407 12.222
295 HD3 PRO 43 2HD PRO 43 -0.568 23.170 12.750
296 H SER 44 H SER 44 -2.349 19.589 13.185
297 HA SER 44 HA SER 44 -4.467 18.694 14.539
298 HB2 SER 44 1HB SER 44 -3.960 18.105 12.180
299 HB3 SER 44 2HB SER 44 -2.812 16.894 12.751
300 HG SER 44 HG SER 44 -5.508 16.745 12.542
301 H SER 45 H SER 45 -4.827 17.676 16.387
302 HA SER 45 HA SER 45 -2.673 16.056 17.551
303 HB2 SER 45 1HB SER 45 -4.020 16.326 19.682
304 HB3 SER 45 2HB SER 45 -3.337 17.814 19.027
305 HG SER 45 HG SER 45 -5.289 18.550 18.921
306 H GLY 46 H GLY 46 -6.231 16.045 17.268
307 HA2 GLY 46 1HA GLY 46 -6.477 13.457 16.296
308 HA3 GLY 46 2HA GLY 46 -6.509 13.329 18.048
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -13.726 12.791 -12.500
2 HA2 GLY 1 1HA GLY 1 -14.438 12.129 -15.084
3 HA3 GLY 1 2HA GLY 1 -13.564 13.649 -15.216
4 H SER 2 H SER 2 -13.197 10.583 -13.425
5 HA SER 2 HA SER 2 -10.314 10.716 -13.876
6 HB2 SER 2 1HB SER 2 -12.021 8.943 -12.120
7 HB3 SER 2 2HB SER 2 -10.279 8.739 -12.303
8 HG SER 2 HG SER 2 -10.060 10.250 -10.876
9 H SER 3 H SER 3 -12.834 8.196 -14.083
10 HA SER 3 HA SER 3 -13.087 6.407 -15.466
11 HB2 SER 3 1HB SER 3 -13.228 8.201 -17.176
12 HB3 SER 3 2HB SER 3 -11.485 8.082 -17.415
13 HG SER 3 HG SER 3 -13.305 5.934 -17.771
14 H GLY 4 H GLY 4 -11.009 6.207 -13.632
15 HA2 GLY 4 1HA GLY 4 -8.480 5.605 -14.360
16 HA3 GLY 4 2HA GLY 4 -9.370 4.630 -13.199
17 H SER 5 H SER 5 -7.834 4.670 -16.199
18 HA SER 5 HA SER 5 -9.185 2.811 -17.728
19 HB2 SER 5 1HB SER 5 -6.941 2.242 -18.691
20 HB3 SER 5 2HB SER 5 -7.267 3.973 -18.621
21 HG SER 5 HG SER 5 -5.783 2.533 -16.677
22 H SER 6 H SER 6 -10.043 1.019 -16.849
23 HA SER 6 HA SER 6 -8.278 -0.730 -15.270
24 HB2 SER 6 1HB SER 6 -10.489 0.179 -14.283
25 HB3 SER 6 2HB SER 6 -11.278 -0.973 -15.360
26 HG SER 6 HG SER 6 -9.186 -1.927 -13.791
27 H GLY 7 H GLY 7 -7.807 -2.729 -15.981
28 HA2 GLY 7 1HA GLY 7 -9.342 -3.785 -18.266
29 HA3 GLY 7 2HA GLY 7 -7.586 -3.732 -18.324
30 H THR 8 H THR 8 -6.575 -5.538 -17.781
31 HA THR 8 HA THR 8 -7.918 -7.394 -15.927
32 HB THR 8 HB THR 8 -8.024 -8.243 -18.250
33 HG1 THR 8 HG1 THR 8 -6.670 -10.251 -17.643
34 HG21 THR 8 3HG2 THR 8 -5.676 -7.143 -18.726
35 HG22 THR 8 1HG2 THR 8 -6.188 -8.594 -19.587
36 HG23 THR 8 2HG2 THR 8 -5.081 -8.723 -18.219
37 H GLY 9 H GLY 9 -6.724 -8.116 -14.263
38 HA2 GLY 9 1HA GLY 9 -4.519 -8.973 -13.537
39 HA3 GLY 9 2HA GLY 9 -3.818 -7.579 -14.346
40 H GLU 10 H GLU 10 -5.818 -8.598 -11.628
41 HA GLU 10 HA GLU 10 -5.332 -6.000 -10.342
42 HB2 GLU 10 1HB GLU 10 -7.672 -6.544 -10.449
43 HB3 GLU 10 2HB GLU 10 -7.381 -8.147 -9.789
44 HG2 GLU 10 1HG GLU 10 -8.325 -6.761 -8.085
45 HG3 GLU 10 2HG GLU 10 -6.645 -7.106 -7.676
46 H LYS 11 H LYS 11 -4.323 -5.852 -8.381
47 HA LYS 11 HA LYS 11 -2.771 -8.179 -7.575
48 HB2 LYS 11 1HB LYS 11 -2.589 -5.241 -7.135
49 HB3 LYS 11 2HB LYS 11 -1.896 -6.289 -5.905
50 HG2 LYS 11 1HG LYS 11 -0.083 -5.971 -7.250
51 HG3 LYS 11 2HG LYS 11 -0.757 -7.434 -7.973
52 HD2 LYS 11 1HD LYS 11 -1.670 -4.787 -8.990
53 HD3 LYS 11 2HD LYS 11 -0.068 -5.363 -9.454
54 HE2 LYS 11 1HE LYS 11 -1.415 -7.580 -9.971
55 HE3 LYS 11 2HE LYS 11 -2.755 -6.446 -10.130
56 HZ1 LYS 11 3HZ LYS 11 -0.840 -7.044 -12.027
57 HZ2 LYS 11 1HZ LYS 11 -0.475 -5.478 -11.500
58 HZ3 LYS 11 2HZ LYS 11 -2.013 -5.828 -12.108
59 HA PRO 12 HA PRO 12 -5.222 -9.202 -4.074
60 HB2 PRO 12 1HB PRO 12 -3.320 -10.251 -2.445
61 HB3 PRO 12 2HB PRO 12 -3.921 -11.086 -3.883
62 HG2 PRO 12 1HG PRO 12 -1.419 -9.481 -3.531
63 HG3 PRO 12 2HG PRO 12 -1.648 -11.027 -4.368
64 HD2 PRO 12 1HD PRO 12 -1.492 -8.667 -5.686
65 HD3 PRO 12 2HD PRO 12 -2.484 -10.021 -6.265
66 H TYR 13 H TYR 13 -2.281 -7.323 -3.546
67 HA TYR 13 HA TYR 13 -3.408 -6.254 -1.055
68 HB2 TYR 13 1HB TYR 13 -0.611 -5.888 -2.142
69 HB3 TYR 13 2HB TYR 13 -1.182 -5.482 -0.527
70 HD1 TYR 13 HD1 TYR 13 -1.897 -7.366 1.007
71 HD2 TYR 13 HD2 TYR 13 0.206 -8.040 -2.629
72 HE1 TYR 13 HE1 TYR 13 -1.252 -9.602 1.802
73 HE2 TYR 13 HE2 TYR 13 0.857 -10.279 -1.845
74 HH TYR 13 HH TYR 13 0.124 -11.957 -0.252
75 H ARG 14 H ARG 14 -3.593 -4.027 -0.707
76 HA ARG 14 HA ARG 14 -3.062 -2.204 -2.904
77 HB2 ARG 14 1HB ARG 14 -5.368 -3.193 -3.263
78 HB3 ARG 14 2HB ARG 14 -5.853 -2.393 -1.774
79 HG2 ARG 14 1HG ARG 14 -4.934 -0.257 -2.936
80 HG3 ARG 14 2HG ARG 14 -5.130 -1.205 -4.411
81 HD2 ARG 14 1HD ARG 14 -7.509 -1.680 -3.406
82 HD3 ARG 14 2HD ARG 14 -7.191 -0.197 -2.507
83 HE ARG 14 HE ARG 14 -7.565 0.976 -4.425
84 HH11 ARG 14 1HH1 ARG 14 -6.816 -2.318 -5.267
85 HH12 ARG 14 2HH1 ARG 14 -7.127 -2.094 -6.956
86 HH21 ARG 14 1HH2 ARG 14 -7.977 1.284 -6.647
87 HH22 ARG 14 2HH2 ARG 14 -7.786 -0.045 -7.740
88 H CYS 15 H CYS 15 -3.036 -0.013 -2.287
89 HA CYS 15 HA CYS 15 -2.568 0.377 0.554
90 HB2 CYS 15 1HB CYS 15 -1.064 1.254 -1.333
91 HB3 CYS 15 2HB CYS 15 -2.307 2.474 -1.593
92 H ALA 16 H ALA 16 -4.326 0.732 1.753
93 HA ALA 16 HA ALA 16 -6.746 1.826 0.807
94 HB1 ALA 16 3HB ALA 16 -6.934 0.474 2.700
95 HB2 ALA 16 1HB ALA 16 -5.646 1.326 3.552
96 HB3 ALA 16 2HB ALA 16 -7.211 2.104 3.315
97 H GLU 17 H GLU 17 -3.821 3.318 1.444
98 HA GLU 17 HA GLU 17 -4.890 5.822 2.416
99 HB2 GLU 17 1HB GLU 17 -2.121 5.030 1.500
100 HB3 GLU 17 2HB GLU 17 -2.533 6.618 2.130
101 HG2 GLU 17 1HG GLU 17 -1.498 5.221 3.830
102 HG3 GLU 17 2HG GLU 17 -3.155 5.639 4.261
103 H CYS 18 H CYS 18 -2.964 4.988 -0.472
104 HA CYS 18 HA CYS 18 -4.164 7.259 -1.871
105 HB2 CYS 18 1HB CYS 18 -2.406 6.765 -3.598
106 HB3 CYS 18 2HB CYS 18 -1.771 7.190 -2.012
107 H GLY 19 H GLY 19 -3.585 3.778 -2.348
108 HA2 GLY 19 1HA GLY 19 -5.553 2.487 -3.121
109 HA3 GLY 19 2HA GLY 19 -5.834 3.789 -4.267
110 H LYS 20 H LYS 20 -2.624 2.621 -3.558
111 HA LYS 20 HA LYS 20 -2.217 1.969 -6.334
112 HB2 LYS 20 1HB LYS 20 -0.511 2.203 -3.909
113 HB3 LYS 20 2HB LYS 20 0.077 1.175 -5.209
114 HG2 LYS 20 1HG LYS 20 -0.301 3.143 -6.754
115 HG3 LYS 20 2HG LYS 20 -0.529 4.114 -5.298
116 HD2 LYS 20 1HD LYS 20 1.716 4.420 -5.658
117 HD3 LYS 20 2HD LYS 20 1.753 3.010 -4.597
118 HE2 LYS 20 1HE LYS 20 3.221 2.485 -6.350
119 HE3 LYS 20 2HE LYS 20 1.737 1.614 -6.729
120 HZ1 LYS 20 3HZ LYS 20 2.468 2.632 -8.713
121 HZ2 LYS 20 1HZ LYS 20 2.724 4.124 -7.957
122 HZ3 LYS 20 2HZ LYS 20 1.149 3.548 -8.182
123 H ALA 21 H ALA 21 -0.984 -0.117 -6.842
124 HA ALA 21 HA ALA 21 -2.295 -2.358 -5.442
125 HB1 ALA 21 3HB ALA 21 -1.414 -2.982 -8.131
126 HB2 ALA 21 1HB ALA 21 -2.998 -3.190 -7.383
127 HB3 ALA 21 2HB ALA 21 -2.558 -1.640 -8.102
128 H PHE 22 H PHE 22 -1.092 -4.152 -4.929
129 HA PHE 22 HA PHE 22 1.723 -4.223 -5.711
130 HB2 PHE 22 1HB PHE 22 0.759 -4.283 -2.845
131 HB3 PHE 22 2HB PHE 22 2.400 -4.665 -3.354
132 HD1 PHE 22 HD2 PHE 22 -0.118 -1.978 -3.151
133 HD2 PHE 22 HD1 PHE 22 3.969 -2.964 -3.814
134 HE1 PHE 22 HE2 PHE 22 0.477 0.404 -3.000
135 HE2 PHE 22 HE1 PHE 22 4.571 -0.583 -3.663
136 HZ PHE 22 HZ PHE 22 2.824 1.105 -3.257
137 H THR 23 H THR 23 2.491 -6.239 -6.031
138 HA THR 23 HA THR 23 0.631 -8.419 -6.011
139 HB THR 23 HB THR 23 2.502 -9.764 -6.894
140 HG1 THR 23 HG1 THR 23 4.468 -9.113 -6.500
141 HG21 THR 23 3HG2 THR 23 2.671 -8.683 -9.000
142 HG22 THR 23 1HG2 THR 23 2.442 -7.090 -8.280
143 HG23 THR 23 2HG2 THR 23 1.099 -8.232 -8.341
144 H ASP 24 H ASP 24 3.385 -7.437 -4.060
145 HA ASP 24 HA ASP 24 2.863 -9.721 -2.271
146 HB2 ASP 24 1HB ASP 24 5.418 -8.302 -2.980
147 HB3 ASP 24 2HB ASP 24 5.273 -9.203 -1.473
148 H ARG 25 H ARG 25 3.328 -9.297 0.041
149 HA ARG 25 HA ARG 25 2.058 -6.839 0.844
150 HB2 ARG 25 1HB ARG 25 1.685 -9.129 1.898
151 HB3 ARG 25 2HB ARG 25 3.255 -8.924 2.663
152 HG2 ARG 25 1HG ARG 25 2.474 -6.958 3.828
153 HG3 ARG 25 2HG ARG 25 0.921 -7.051 2.994
154 HD2 ARG 25 1HD ARG 25 2.049 -9.107 4.892
155 HD3 ARG 25 2HD ARG 25 0.763 -7.955 5.254
156 HE ARG 25 HE ARG 25 0.238 -9.680 3.000
157 HH11 ARG 25 1HH1 ARG 25 -0.053 -9.240 6.442
158 HH12 ARG 25 2HH1 ARG 25 -1.384 -10.338 6.600
159 HH21 ARG 25 1HH2 ARG 25 -1.513 -11.128 3.197
160 HH22 ARG 25 2HH2 ARG 25 -2.213 -11.412 4.754
161 H SER 26 H SER 26 5.215 -8.374 1.432
162 HA SER 26 HA SER 26 6.447 -6.604 3.060
163 HB2 SER 26 1HB SER 26 7.536 -8.051 0.649
164 HB3 SER 26 2HB SER 26 8.570 -7.084 1.700
165 HG SER 26 HG SER 26 7.120 -9.425 2.310
166 H ASN 27 H ASN 27 6.055 -6.219 -0.445
167 HA ASN 27 HA ASN 27 7.432 -3.763 -0.641
168 HB2 ASN 27 1HB ASN 27 5.354 -5.076 -2.392
169 HB3 ASN 27 2HB ASN 27 6.104 -3.537 -2.806
170 HD21 ASN 27 1HD2 ASN 27 8.284 -3.480 -3.352
171 HD22 ASN 27 2HD2 ASN 27 9.155 -4.906 -3.792
172 H LEU 28 H LEU 28 3.949 -4.483 -0.461
173 HA LEU 28 HA LEU 28 2.933 -1.931 -0.568
174 HB2 LEU 28 1HB LEU 28 1.488 -3.840 -0.562
175 HB3 LEU 28 2HB LEU 28 2.011 -4.291 1.059
176 HG LEU 28 HG LEU 28 0.919 -2.249 1.935
177 HD11 LEU 28 1HD1 LEU 28 -0.479 -0.897 0.586
178 HD12 LEU 28 2HD1 LEU 28 -0.307 -1.975 -0.798
179 HD13 LEU 28 3HD1 LEU 28 1.067 -1.013 -0.254
180 HD21 LEU 28 3HD2 LEU 28 -1.240 -3.595 0.434
181 HD22 LEU 28 1HD2 LEU 28 -1.065 -3.309 2.165
182 HD23 LEU 28 2HD2 LEU 28 -0.187 -4.631 1.397
183 H PHE 29 H PHE 29 3.767 -3.707 2.413
184 HA PHE 29 HA PHE 29 3.286 -1.707 4.246
185 HB2 PHE 29 1HB PHE 29 5.118 -4.058 4.176
186 HB3 PHE 29 2HB PHE 29 5.351 -2.873 5.458
187 HD1 PHE 29 HD1 PHE 29 2.708 -2.066 6.207
188 HD2 PHE 29 HD2 PHE 29 4.109 -5.919 5.062
189 HE1 PHE 29 HE1 PHE 29 0.891 -3.106 7.500
190 HE2 PHE 29 HE2 PHE 29 2.294 -6.966 6.353
191 HZ PHE 29 HZ PHE 29 0.682 -5.559 7.573
192 H THR 30 H THR 30 6.298 -2.347 2.475
193 HA THR 30 HA THR 30 7.833 -0.302 3.617
194 HB THR 30 HB THR 30 8.044 -1.486 0.842
195 HG1 THR 30 HG1 THR 30 9.166 -3.051 1.781
196 HG21 THR 30 3HG2 THR 30 9.208 0.738 1.242
197 HG22 THR 30 1HG2 THR 30 10.230 -0.595 0.707
198 HG23 THR 30 2HG2 THR 30 10.222 -0.115 2.404
199 H HIS 31 H HIS 31 5.425 -0.247 1.099
200 HA HIS 31 HA HIS 31 6.121 2.382 0.153
201 HB2 HIS 31 1HB HIS 31 5.117 1.130 -1.523
202 HB3 HIS 31 2HB HIS 31 3.936 0.419 -0.427
203 HD1 HIS 31 HD1 HIS 31 4.541 3.393 -2.586
204 HD2 HIS 31 HD2 HIS 31 1.636 1.980 0.027
205 HE1 HIS 31 HE1 HIS 31 2.527 4.849 -2.969
206 H GLN 32 H GLN 32 3.471 1.000 2.081
207 HA GLN 32 HA GLN 32 1.939 3.215 2.535
208 HB2 GLN 32 1HB GLN 32 2.645 0.912 4.336
209 HB3 GLN 32 2HB GLN 32 1.539 2.175 4.860
210 HG2 GLN 32 1HG GLN 32 0.025 1.668 3.064
211 HG3 GLN 32 2HG GLN 32 1.163 0.504 2.387
212 HE21 GLN 32 1HE2 GLN 32 -1.603 0.176 3.328
213 HE22 GLN 32 2HE2 GLN 32 -1.544 -1.072 4.521
214 H LYS 33 H LYS 33 5.158 2.682 3.563
215 HA LYS 33 HA LYS 33 5.367 4.178 5.880
216 HB2 LYS 33 1HB LYS 33 7.302 3.833 3.591
217 HB3 LYS 33 2HB LYS 33 7.725 4.671 5.078
218 HG2 LYS 33 1HG LYS 33 6.837 2.432 6.167
219 HG3 LYS 33 2HG LYS 33 7.275 1.781 4.586
220 HD2 LYS 33 1HD LYS 33 9.538 2.639 4.839
221 HD3 LYS 33 2HD LYS 33 9.107 3.362 6.391
222 HE2 LYS 33 1HE LYS 33 8.819 1.242 7.402
223 HE3 LYS 33 2HE LYS 33 8.849 0.415 5.845
224 HZ1 LYS 33 3HZ LYS 33 10.994 0.081 6.258
225 HZ2 LYS 33 1HZ LYS 33 11.025 1.193 7.533
226 HZ3 LYS 33 2HZ LYS 33 11.233 1.725 5.941
227 H ILE 34 H ILE 34 5.303 5.272 2.524
228 HA ILE 34 HA ILE 34 5.943 7.963 2.959
229 HB ILE 34 HB ILE 34 4.975 8.430 0.807
230 HG12 ILE 34 1HG1 ILE 34 3.889 5.667 0.513
231 HG13 ILE 34 2HG1 ILE 34 2.944 6.835 1.430
232 HG21 ILE 34 1HG2 ILE 34 6.894 7.479 0.159
233 HG22 ILE 34 2HG2 ILE 34 6.686 6.105 1.244
234 HG23 ILE 34 3HG2 ILE 34 5.888 6.115 -0.329
235 HD11 ILE 34 3HD1 ILE 34 2.069 7.170 -0.633
236 HD12 ILE 34 1HD1 ILE 34 3.397 8.328 -0.698
237 HD13 ILE 34 2HD1 ILE 34 3.567 6.747 -1.462
238 H HIS 35 H HIS 35 3.284 6.237 4.031
239 HA HIS 35 HA HIS 35 1.646 8.676 4.248
240 HB2 HIS 35 1HB HIS 35 0.754 5.790 4.422
241 HB3 HIS 35 2HB HIS 35 -0.293 7.202 4.525
242 HD1 HIS 35 HD1 HIS 35 0.130 8.834 2.209
243 HD2 HIS 35 HD2 HIS 35 0.637 4.718 1.958
244 HE1 HIS 35 HE1 HIS 35 -0.084 8.278 -0.234
245 H THR 36 H THR 36 3.362 6.247 5.970
246 HA THR 36 HA THR 36 2.039 6.529 8.480
247 HB THR 36 HB THR 36 3.851 5.260 9.427
248 HG1 THR 36 HG1 THR 36 5.214 6.206 7.177
249 HG21 THR 36 3HG2 THR 36 3.690 3.276 8.162
250 HG22 THR 36 1HG2 THR 36 3.505 4.159 6.647
251 HG23 THR 36 2HG2 THR 36 2.197 4.153 7.830
252 H GLY 37 H GLY 37 3.625 7.089 10.440
253 HA2 GLY 37 1HA GLY 37 5.151 8.620 11.384
254 HA3 GLY 37 2HA GLY 37 5.189 9.489 9.857
255 H GLU 38 H GLU 38 4.588 10.162 12.812
256 HA GLU 38 HA GLU 38 2.148 11.712 12.244
257 HB2 GLU 38 1HB GLU 38 1.670 11.583 14.702
258 HB3 GLU 38 2HB GLU 38 1.542 10.050 13.852
259 HG2 GLU 38 1HG GLU 38 3.556 9.255 14.758
260 HG3 GLU 38 2HG GLU 38 4.035 10.860 15.308
261 H LYS 39 H LYS 39 2.206 13.852 12.664
262 HA LYS 39 HA LYS 39 4.751 14.936 13.651
263 HB2 LYS 39 1HB LYS 39 4.033 15.641 11.396
264 HB3 LYS 39 2HB LYS 39 2.554 16.301 12.082
265 HG2 LYS 39 1HG LYS 39 3.986 17.820 13.468
266 HG3 LYS 39 2HG LYS 39 5.370 17.256 12.530
267 HD2 LYS 39 1HD LYS 39 4.001 17.942 10.469
268 HD3 LYS 39 2HD LYS 39 2.988 18.835 11.606
269 HE2 LYS 39 1HE LYS 39 5.230 19.832 12.436
270 HE3 LYS 39 2HE LYS 39 5.866 19.260 10.895
271 HZ1 LYS 39 3HZ LYS 39 4.660 20.770 9.729
272 HZ2 LYS 39 1HZ LYS 39 4.835 21.650 11.164
273 HZ3 LYS 39 2HZ LYS 39 3.394 20.821 10.851
274 HA PRO 40 HA PRO 40 2.816 16.258 17.387
275 HB2 PRO 40 1HB PRO 40 4.618 18.153 18.117
276 HB3 PRO 40 2HB PRO 40 4.941 16.420 18.245
277 HG2 PRO 40 1HG PRO 40 5.791 18.355 16.124
278 HG3 PRO 40 2HG PRO 40 6.729 17.069 16.906
279 HD2 PRO 40 1HD PRO 40 5.627 16.779 14.450
280 HD3 PRO 40 2HD PRO 40 5.816 15.422 15.578
281 H SER 41 H SER 41 0.950 17.196 16.355
282 HA SER 41 HA SER 41 0.720 19.997 16.817
283 HB2 SER 41 1HB SER 41 1.859 19.900 14.551
284 HB3 SER 41 2HB SER 41 0.384 19.156 13.934
285 HG SER 41 HG SER 41 0.621 21.714 15.140
286 H GLY 42 H GLY 42 -1.167 19.960 17.848
287 HA2 GLY 42 1HA GLY 42 -3.434 19.738 18.180
288 HA3 GLY 42 2HA GLY 42 -3.575 19.278 16.490
289 HA PRO 43 HA PRO 43 -2.740 15.291 19.157
290 HB2 PRO 43 1HB PRO 43 -3.459 15.528 21.764
291 HB3 PRO 43 2HB PRO 43 -1.821 15.855 21.185
292 HG2 PRO 43 1HG PRO 43 -4.032 17.777 21.800
293 HG3 PRO 43 2HG PRO 43 -2.308 17.891 22.198
294 HD2 PRO 43 1HD PRO 43 -3.413 19.219 20.113
295 HD3 PRO 43 2HD PRO 43 -1.741 18.623 20.088
296 H SER 44 H SER 44 -4.278 13.738 19.113
297 HA SER 44 HA SER 44 -6.789 14.024 18.266
298 HB2 SER 44 1HB SER 44 -5.845 12.024 20.330
299 HB3 SER 44 2HB SER 44 -7.386 11.905 19.480
300 HG SER 44 HG SER 44 -6.378 11.318 17.708
301 H SER 45 H SER 45 -8.776 14.599 18.983
302 HA SER 45 HA SER 45 -9.048 15.323 21.823
303 HB2 SER 45 1HB SER 45 -8.761 17.410 20.692
304 HB3 SER 45 2HB SER 45 -9.876 16.941 19.409
305 HG SER 45 HG SER 45 -10.959 18.280 20.830
306 H GLY 46 H GLY 46 -10.715 14.522 18.801
307 HA2 GLY 46 1HA GLY 46 -13.315 14.316 19.539
308 HA3 GLY 46 2HA GLY 46 -12.546 13.149 18.473