Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504561 | 2emb RC | 10200 | 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 1H GLY 1 -16.551 -23.609 -11.403
2 HA2 GLY 1 1HA GLY 1 -18.641 -23.082 -12.293
3 HA3 GLY 1 2HA GLY 1 -18.271 -21.577 -11.464
4 H SER 2 H SER 2 -17.057 -23.064 -14.466
5 HA SER 2 HA SER 2 -16.604 -22.079 -16.492
6 HB2 SER 2 1HB SER 2 -19.482 -21.239 -16.066
7 HB3 SER 2 2HB SER 2 -18.651 -21.272 -17.621
8 HG SER 2 HG SER 2 -19.920 -23.251 -16.428
9 H SER 3 H SER 3 -15.613 -20.484 -14.455
10 HA SER 3 HA SER 3 -16.468 -17.763 -14.792
11 HB2 SER 3 1HB SER 3 -15.421 -18.750 -12.689
12 HB3 SER 3 2HB SER 3 -13.878 -18.685 -13.541
13 HG SER 3 HG SER 3 -15.559 -16.427 -13.245
14 H GLY 4 H GLY 4 -14.916 -16.036 -15.439
15 HA2 GLY 4 1HA GLY 4 -13.442 -16.913 -17.838
16 HA3 GLY 4 2HA GLY 4 -14.147 -15.319 -17.615
17 H SER 5 H SER 5 -11.308 -16.719 -17.929
18 HA SER 5 HA SER 5 -9.695 -16.082 -15.794
19 HB2 SER 5 1HB SER 5 -7.842 -15.987 -17.364
20 HB3 SER 5 2HB SER 5 -8.949 -17.271 -17.851
21 HG SER 5 HG SER 5 -8.475 -16.116 -19.672
22 H SER 6 H SER 6 -10.741 -13.962 -18.435
23 HA SER 6 HA SER 6 -9.302 -11.709 -18.056
24 HB2 SER 6 1HB SER 6 -10.950 -11.671 -19.756
25 HB3 SER 6 2HB SER 6 -12.251 -12.009 -18.615
26 HG SER 6 HG SER 6 -12.457 -9.901 -18.743
27 H GLY 7 H GLY 7 -8.666 -10.845 -16.186
28 HA2 GLY 7 1HA GLY 7 -9.633 -9.192 -14.522
29 HA3 GLY 7 2HA GLY 7 -10.676 -10.524 -14.048
30 H HIS 8 H HIS 8 -7.375 -9.333 -14.076
31 HA HIS 8 HA HIS 8 -6.688 -11.343 -12.034
32 HB2 HIS 8 1HB HIS 8 -4.687 -9.781 -13.656
33 HB3 HIS 8 2HB HIS 8 -4.429 -11.261 -12.737
34 HD1 HIS 8 HD1 HIS 8 -4.190 -10.471 -15.993
35 HD2 HIS 8 HD2 HIS 8 -6.702 -13.159 -14.063
36 HE1 HIS 8 HE1 HIS 8 -4.888 -12.123 -17.755
37 H THR 9 H THR 9 -7.591 -10.056 -10.358
38 HA THR 9 HA THR 9 -5.735 -8.049 -9.370
39 HB THR 9 HB THR 9 -7.371 -6.731 -10.673
40 HG1 THR 9 HG1 THR 9 -6.932 -5.350 -9.138
41 HG21 THR 9 3HG2 THR 9 -9.605 -6.951 -10.502
42 HG22 THR 9 1HG2 THR 9 -9.550 -7.149 -8.751
43 HG23 THR 9 2HG2 THR 9 -9.229 -8.526 -9.805
44 H ARG 10 H ARG 10 -5.776 -7.803 -7.140
45 HA ARG 10 HA ARG 10 -7.034 -9.974 -5.701
46 HB2 ARG 10 1HB ARG 10 -4.640 -8.958 -5.376
47 HB3 ARG 10 2HB ARG 10 -5.482 -7.783 -4.374
48 HG2 ARG 10 1HG ARG 10 -4.713 -9.445 -2.907
49 HG3 ARG 10 2HG ARG 10 -6.440 -9.749 -3.106
50 HD2 ARG 10 1HD ARG 10 -5.425 -11.861 -3.266
51 HD3 ARG 10 2HD ARG 10 -5.779 -11.394 -4.929
52 HE ARG 10 HE ARG 10 -3.529 -11.342 -5.360
53 HH11 ARG 10 1HH1 ARG 10 -4.039 -11.404 -1.916
54 HH12 ARG 10 2HH1 ARG 10 -2.363 -11.636 -1.541
55 HH21 ARG 10 1HH2 ARG 10 -1.321 -11.648 -4.879
56 HH22 ARG 10 2HH2 ARG 10 -0.818 -11.774 -3.227
57 H LYS 11 H LYS 11 -8.334 -9.677 -3.806
58 HA LYS 11 HA LYS 11 -10.364 -7.703 -4.161
59 HB2 LYS 11 1HB LYS 11 -9.859 -9.945 -2.267
60 HB3 LYS 11 2HB LYS 11 -10.987 -8.694 -1.763
61 HG2 LYS 11 1HG LYS 11 -12.395 -10.202 -2.758
62 HG3 LYS 11 2HG LYS 11 -12.058 -9.109 -4.103
63 HD2 LYS 11 1HD LYS 11 -10.092 -10.779 -4.566
64 HD3 LYS 11 2HD LYS 11 -11.086 -11.891 -3.622
65 HE2 LYS 11 1HE LYS 11 -12.389 -10.340 -5.798
66 HE3 LYS 11 2HE LYS 11 -11.331 -11.676 -6.251
67 HZ1 LYS 11 3HZ LYS 11 -13.653 -11.877 -4.408
68 HZ2 LYS 11 1HZ LYS 11 -12.654 -13.155 -4.891
69 HZ3 LYS 11 2HZ LYS 11 -13.640 -12.378 -6.024
70 H ARG 12 H ARG 12 -7.348 -7.433 -2.903
71 HA ARG 12 HA ARG 12 -8.165 -5.206 -1.160
72 HB2 ARG 12 1HB ARG 12 -5.838 -7.076 -0.676
73 HB3 ARG 12 2HB ARG 12 -6.283 -5.700 0.323
74 HG2 ARG 12 1HG ARG 12 -8.391 -6.782 0.893
75 HG3 ARG 12 2HG ARG 12 -7.963 -8.158 -0.127
76 HD2 ARG 12 1HD ARG 12 -6.167 -7.265 2.100
77 HD3 ARG 12 2HD ARG 12 -7.548 -8.315 2.415
78 HE ARG 12 HE ARG 12 -5.843 -9.257 0.303
79 HH11 ARG 12 1HH1 ARG 12 -6.373 -9.206 3.744
80 HH12 ARG 12 2HH1 ARG 12 -5.495 -10.672 4.032
81 HH21 ARG 12 1HH2 ARG 12 -4.684 -11.187 0.670
82 HH22 ARG 12 2HH2 ARG 12 -4.534 -11.797 2.284
83 H TYR 13 H TYR 13 -6.403 -3.586 -0.851
84 HA TYR 13 HA TYR 13 -4.998 -3.190 -3.399
85 HB2 TYR 13 1HB TYR 13 -5.571 -1.140 -1.253
86 HB3 TYR 13 2HB TYR 13 -4.977 -0.832 -2.880
87 HD1 TYR 13 HD2 TYR 13 -7.912 -2.055 -0.972
88 HD2 TYR 13 HD1 TYR 13 -6.472 -0.540 -4.677
89 HE1 TYR 13 HE2 TYR 13 -10.227 -1.806 -1.763
90 HE2 TYR 13 HE1 TYR 13 -8.783 -0.285 -5.478
91 HH TYR 13 HH TYR 13 -11.142 0.044 -4.217
92 H GLU 14 H GLU 14 -2.887 -3.535 -3.453
93 HA GLU 14 HA GLU 14 -1.386 -3.598 -0.940
94 HB2 GLU 14 1HB GLU 14 -1.060 -4.861 -3.613
95 HB3 GLU 14 2HB GLU 14 0.403 -4.499 -2.707
96 HG2 GLU 14 1HG GLU 14 0.003 -6.617 -1.987
97 HG3 GLU 14 2HG GLU 14 -0.888 -5.709 -0.767
98 H CYS 15 H CYS 15 0.615 -2.518 -0.713
99 HA CYS 15 HA CYS 15 0.798 -0.087 -2.348
100 HB2 CYS 15 1HB CYS 15 0.564 0.003 0.201
101 HB3 CYS 15 2HB CYS 15 2.223 -0.584 0.262
102 H SER 16 H SER 16 2.328 0.034 -3.839
103 HA SER 16 HA SER 16 4.472 -1.911 -3.897
104 HB2 SER 16 1HB SER 16 3.214 -1.244 -5.955
105 HB3 SER 16 2HB SER 16 3.929 0.362 -5.821
106 HG SER 16 HG SER 16 5.107 -1.003 -7.239
107 H LYS 17 H LYS 17 4.535 -0.017 -1.738
108 HA LYS 17 HA LYS 17 7.114 1.267 -2.332
109 HB2 LYS 17 1HB LYS 17 4.973 2.476 -0.577
110 HB3 LYS 17 2HB LYS 17 6.510 3.204 -1.024
111 HG2 LYS 17 1HG LYS 17 4.588 2.439 -3.168
112 HG3 LYS 17 2HG LYS 17 4.303 3.905 -2.227
113 HD2 LYS 17 1HD LYS 17 6.443 4.796 -2.866
114 HD3 LYS 17 2HD LYS 17 6.882 3.282 -3.661
115 HE2 LYS 17 1HE LYS 17 6.217 4.538 -5.463
116 HE3 LYS 17 2HE LYS 17 4.705 3.735 -5.046
117 HZ1 LYS 17 3HZ LYS 17 3.945 5.843 -5.145
118 HZ2 LYS 17 1HZ LYS 17 5.448 6.538 -4.798
119 HZ3 LYS 17 2HZ LYS 17 4.502 5.904 -3.548
120 H CYS 18 H CYS 18 4.951 -0.124 0.074
121 HA CYS 18 HA CYS 18 7.309 -0.783 1.704
122 HB2 CYS 18 1HB CYS 18 5.925 -0.445 3.743
123 HB3 CYS 18 2HB CYS 18 6.191 1.041 2.836
124 H GLN 19 H GLN 19 4.922 -1.967 -0.141
125 HA GLN 19 HA GLN 19 3.968 -4.013 -0.415
126 HB2 GLN 19 1HB GLN 19 6.058 -4.809 1.618
127 HB3 GLN 19 2HB GLN 19 5.067 -5.945 0.712
128 HG2 GLN 19 1HG GLN 19 7.010 -3.978 -0.477
129 HG3 GLN 19 2HG GLN 19 7.296 -5.702 -0.249
130 HE21 GLN 19 1HE2 GLN 19 7.040 -3.828 -2.638
131 HE22 GLN 19 2HE2 GLN 19 5.959 -4.661 -3.697
132 H ALA 20 H ALA 20 2.647 -2.277 1.289
133 HA ALA 20 HA ALA 20 1.684 -4.005 3.466
134 HB1 ALA 20 3HB ALA 20 2.358 -1.977 4.410
135 HB2 ALA 20 1HB ALA 20 1.663 -1.029 3.095
136 HB3 ALA 20 2HB ALA 20 0.607 -1.823 4.264
137 H THR 21 H THR 21 -0.557 -4.281 3.788
138 HA THR 21 HA THR 21 -2.140 -3.927 1.335
139 HB THR 21 HB THR 21 -3.515 -5.764 2.039
140 HG1 THR 21 HG1 THR 21 -2.243 -5.318 4.490
141 HG21 THR 21 3HG2 THR 21 -0.765 -6.005 1.519
142 HG22 THR 21 1HG2 THR 21 -2.013 -7.228 1.284
143 HG23 THR 21 2HG2 THR 21 -1.121 -7.159 2.804
144 H PHE 22 H PHE 22 -4.352 -3.297 1.499
145 HA PHE 22 HA PHE 22 -5.163 -2.071 4.032
146 HB2 PHE 22 1HB PHE 22 -5.204 -0.642 1.365
147 HB3 PHE 22 2HB PHE 22 -5.880 -0.020 2.867
148 HD1 PHE 22 HD1 PHE 22 -2.683 -1.229 1.399
149 HD2 PHE 22 HD2 PHE 22 -4.582 1.303 4.245
150 HE1 PHE 22 HE1 PHE 22 -0.505 -0.230 1.959
151 HE2 PHE 22 HE2 PHE 22 -2.407 2.306 4.809
152 HZ PHE 22 HZ PHE 22 -0.365 1.540 3.665
153 H ASN 23 H ASN 23 -7.452 -1.633 4.174
154 HA ASN 23 HA ASN 23 -9.000 -3.545 2.591
155 HB2 ASN 23 1HB ASN 23 -9.846 -2.031 5.069
156 HB3 ASN 23 2HB ASN 23 -10.678 -3.395 4.329
157 HD21 ASN 23 1HD2 ASN 23 -9.784 -3.213 7.021
158 HD22 ASN 23 2HD2 ASN 23 -8.616 -4.462 7.264
159 H LEU 24 H LEU 24 -9.035 -0.144 3.585
160 HA LEU 24 HA LEU 24 -11.248 0.406 1.766
161 HB2 LEU 24 1HB LEU 24 -9.810 2.033 3.839
162 HB3 LEU 24 2HB LEU 24 -10.942 2.762 2.703
163 HG LEU 24 HG LEU 24 -12.544 0.879 3.665
164 HD11 LEU 24 1HD1 LEU 24 -12.091 0.091 5.745
165 HD12 LEU 24 2HD1 LEU 24 -11.123 1.496 6.191
166 HD13 LEU 24 3HD1 LEU 24 -10.436 0.245 5.155
167 HD21 LEU 24 3HD2 LEU 24 -13.482 2.529 5.120
168 HD22 LEU 24 1HD2 LEU 24 -12.843 3.355 3.699
169 HD23 LEU 24 2HD2 LEU 24 -11.947 3.392 5.218
170 H ARG 25 H ARG 25 -11.099 1.636 -0.062
171 HA ARG 25 HA ARG 25 -8.588 1.733 -1.381
172 HB2 ARG 25 1HB ARG 25 -11.064 1.629 -2.308
173 HB3 ARG 25 2HB ARG 25 -10.893 3.379 -2.324
174 HG2 ARG 25 1HG ARG 25 -8.777 1.698 -3.578
175 HG3 ARG 25 2HG ARG 25 -10.299 1.965 -4.432
176 HD2 ARG 25 1HD ARG 25 -8.689 4.230 -3.290
177 HD3 ARG 25 2HD ARG 25 -8.381 3.585 -4.902
178 HE ARG 25 HE ARG 25 -11.124 4.334 -4.396
179 HH11 ARG 25 1HH1 ARG 25 -8.006 5.350 -5.564
180 HH12 ARG 25 2HH1 ARG 25 -8.642 6.644 -6.524
181 HH21 ARG 25 1HH2 ARG 25 -11.974 6.034 -5.657
182 HH22 ARG 25 2HH2 ARG 25 -10.900 7.033 -6.576
183 H LYS 26 H LYS 26 -10.623 4.179 0.162
184 HA LYS 26 HA LYS 26 -9.027 6.405 -0.568
185 HB2 LYS 26 1HB LYS 26 -10.278 7.599 1.206
186 HB3 LYS 26 2HB LYS 26 -11.330 6.717 0.107
187 HG2 LYS 26 1HG LYS 26 -11.649 4.971 1.725
188 HG3 LYS 26 2HG LYS 26 -10.466 5.708 2.808
189 HD2 LYS 26 1HD LYS 26 -11.886 7.627 3.133
190 HD3 LYS 26 2HD LYS 26 -13.027 7.035 1.923
191 HE2 LYS 26 1HE LYS 26 -13.705 5.242 3.302
192 HE3 LYS 26 2HE LYS 26 -12.344 5.470 4.398
193 HZ1 LYS 26 3HZ LYS 26 -14.348 6.325 5.385
194 HZ2 LYS 26 1HZ LYS 26 -14.643 7.315 4.046
195 HZ3 LYS 26 2HZ LYS 26 -13.309 7.615 5.041
196 H HIS 27 H HIS 27 -8.890 4.096 2.043
197 HA HIS 27 HA HIS 27 -7.251 5.500 3.829
198 HB2 HIS 27 1HB HIS 27 -7.889 2.634 3.344
199 HB3 HIS 27 2HB HIS 27 -6.471 2.993 4.326
200 HD1 HIS 27 HD1 HIS 27 -7.427 2.237 6.545
201 HD2 HIS 27 HD2 HIS 27 -9.795 5.064 4.631
202 HE1 HIS 27 HE1 HIS 27 -9.153 2.925 8.239
203 H LEU 28 H LEU 28 -6.469 3.526 1.014
204 HA LEU 28 HA LEU 28 -3.643 3.608 1.431
205 HB2 LEU 28 1HB LEU 28 -4.449 1.792 0.176
206 HB3 LEU 28 2HB LEU 28 -5.392 2.838 -0.883
207 HG LEU 28 HG LEU 28 -3.176 3.720 -1.750
208 HD11 LEU 28 1HD1 LEU 28 -1.521 1.572 -1.378
209 HD12 LEU 28 2HD1 LEU 28 -2.245 1.776 0.216
210 HD13 LEU 28 3HD1 LEU 28 -1.395 3.121 -0.544
211 HD21 LEU 28 3HD2 LEU 28 -3.539 2.357 -3.468
212 HD22 LEU 28 1HD2 LEU 28 -4.715 1.512 -2.462
213 HD23 LEU 28 2HD2 LEU 28 -3.046 0.944 -2.533
214 H ILE 29 H ILE 29 -5.960 5.538 -0.365
215 HA ILE 29 HA ILE 29 -4.285 6.984 -2.024
216 HB ILE 29 HB ILE 29 -6.748 7.952 -0.571
217 HG12 ILE 29 1HG1 ILE 29 -7.361 6.129 -1.952
218 HG13 ILE 29 2HG1 ILE 29 -7.752 7.567 -2.889
219 HG21 ILE 29 1HG2 ILE 29 -5.365 9.820 -1.334
220 HG22 ILE 29 2HG2 ILE 29 -5.352 9.144 -2.962
221 HG23 ILE 29 3HG2 ILE 29 -6.865 9.709 -2.254
222 HD11 ILE 29 3HD1 ILE 29 -6.704 6.409 -4.508
223 HD12 ILE 29 1HD1 ILE 29 -5.272 7.133 -3.778
224 HD13 ILE 29 2HD1 ILE 29 -5.731 5.480 -3.369
225 H GLN 30 H GLN 30 -5.233 7.747 1.322
226 HA GLN 30 HA GLN 30 -3.587 10.064 1.488
227 HB2 GLN 30 1HB GLN 30 -5.649 9.414 2.914
228 HB3 GLN 30 2HB GLN 30 -4.506 8.482 3.871
229 HG2 GLN 30 1HG GLN 30 -3.179 10.601 4.145
230 HG3 GLN 30 2HG GLN 30 -4.545 11.451 3.424
231 HE21 GLN 30 1HE2 GLN 30 -3.180 11.015 6.233
232 HE22 GLN 30 2HE2 GLN 30 -4.548 10.934 7.284
233 H HIS 31 H HIS 31 -3.192 6.688 2.436
234 HA HIS 31 HA HIS 31 -0.845 6.892 3.912
235 HB2 HIS 31 1HB HIS 31 -1.988 4.809 3.912
236 HB3 HIS 31 2HB HIS 31 -1.914 4.685 2.157
237 HD1 HIS 31 HD1 HIS 31 0.249 4.343 5.220
238 HD2 HIS 31 HD2 HIS 31 0.378 3.518 1.150
239 HE1 HIS 31 HE1 HIS 31 2.306 2.937 4.884
240 H GLN 32 H GLN 32 -1.314 6.676 0.420
241 HA GLN 32 HA GLN 32 1.378 6.355 -0.310
242 HB2 GLN 32 1HB GLN 32 -0.929 7.615 -1.797
243 HB3 GLN 32 2HB GLN 32 0.641 7.290 -2.520
244 HG2 GLN 32 1HG GLN 32 0.344 4.996 -2.451
245 HG3 GLN 32 2HG GLN 32 -0.901 5.095 -1.206
246 HE21 GLN 32 1HE2 GLN 32 -1.249 3.585 -3.477
247 HE22 GLN 32 2HE2 GLN 32 -2.479 4.300 -4.459
248 H LYS 33 H LYS 33 -0.306 9.054 0.935
249 HA LYS 33 HA LYS 33 1.124 11.180 -0.205
250 HB2 LYS 33 1HB LYS 33 -0.067 11.020 2.570
251 HB3 LYS 33 2HB LYS 33 0.362 12.494 1.712
252 HG2 LYS 33 1HG LYS 33 -1.656 10.541 0.651
253 HG3 LYS 33 2HG LYS 33 -2.085 11.864 1.739
254 HD2 LYS 33 1HD LYS 33 -1.498 13.497 0.171
255 HD3 LYS 33 2HD LYS 33 -0.543 12.363 -0.787
256 HE2 LYS 33 1HE LYS 33 -2.448 12.576 -2.069
257 HE3 LYS 33 2HE LYS 33 -2.820 11.144 -1.111
258 HZ1 LYS 33 3HZ LYS 33 -4.330 13.431 -1.308
259 HZ2 LYS 33 1HZ LYS 33 -3.629 13.516 0.230
260 HZ3 LYS 33 2HZ LYS 33 -4.551 12.167 -0.206
261 H THR 34 H THR 34 1.761 9.225 2.676
262 HA THR 34 HA THR 34 4.066 10.686 3.483
263 HB THR 34 HB THR 34 2.715 9.219 5.003
264 HG1 THR 34 HG1 THR 34 4.758 8.224 5.915
265 HG21 THR 34 3HG2 THR 34 4.001 6.765 4.698
266 HG22 THR 34 1HG2 THR 34 3.529 7.231 3.064
267 HG23 THR 34 2HG2 THR 34 2.313 7.126 4.337
268 H HIS 35 H HIS 35 3.529 8.591 0.921
269 HA HIS 35 HA HIS 35 6.289 7.626 0.839
270 HB2 HIS 35 1HB HIS 35 3.782 6.905 -0.650
271 HB3 HIS 35 2HB HIS 35 5.359 6.450 -1.287
272 HD1 HIS 35 HD1 HIS 35 6.750 5.598 1.316
273 HD2 HIS 35 HD2 HIS 35 2.872 4.519 0.287
274 HE1 HIS 35 HE1 HIS 35 6.268 3.501 2.618
275 H ALA 36 H ALA 36 5.129 10.443 0.232
276 HA ALA 36 HA ALA 36 5.829 10.843 -2.537
277 HB1 ALA 36 3HB ALA 36 4.827 12.570 -0.328
278 HB2 ALA 36 1HB ALA 36 5.598 13.330 -1.721
279 HB3 ALA 36 2HB ALA 36 4.174 12.313 -1.946
280 H ALA 37 H ALA 37 7.958 9.708 -1.141
281 HA ALA 37 HA ALA 37 9.840 11.795 -0.453
282 HB1 ALA 37 3HB ALA 37 9.652 8.933 -0.090
283 HB2 ALA 37 1HB ALA 37 11.252 9.413 -0.659
284 HB3 ALA 37 2HB ALA 37 10.588 10.125 0.812
285 H LYS 38 H LYS 38 9.993 12.944 -2.422
286 HA LYS 38 HA LYS 38 10.587 11.837 -4.918
287 HB2 LYS 38 1HB LYS 38 9.864 14.105 -4.818
288 HB3 LYS 38 2HB LYS 38 11.175 14.547 -3.732
289 HG2 LYS 38 1HG LYS 38 12.728 13.892 -5.670
290 HG3 LYS 38 2HG LYS 38 11.277 13.984 -6.670
291 HD2 LYS 38 1HD LYS 38 12.182 16.119 -6.853
292 HD3 LYS 38 2HD LYS 38 10.959 16.310 -5.595
293 HE2 LYS 38 1HE LYS 38 12.903 17.426 -4.826
294 HE3 LYS 38 2HE LYS 38 12.794 15.922 -3.913
295 HZ1 LYS 38 3HZ LYS 38 15.039 16.228 -4.609
296 HZ2 LYS 38 1HZ LYS 38 14.578 16.482 -6.217
297 HZ3 LYS 38 2HZ LYS 38 14.393 14.954 -5.516
298 H SER 39 H SER 39 12.390 11.065 -5.832
299 HA SER 39 HA SER 39 14.535 10.092 -4.535
300 HB2 SER 39 1HB SER 39 14.086 9.745 -6.948
301 HB3 SER 39 2HB SER 39 14.684 11.371 -7.277
302 HG SER 39 HG SER 39 16.369 9.965 -7.603
303 H GLY 40 H GLY 40 16.129 10.880 -3.336
304 HA2 GLY 40 1HA GLY 40 17.313 13.466 -4.008
305 HA3 GLY 40 2HA GLY 40 16.583 13.316 -2.417
306 HA PRO 41 HA PRO 41 20.276 10.202 -2.421
307 HB2 PRO 41 1HB PRO 41 21.888 10.205 -4.605
308 HB3 PRO 41 2HB PRO 41 20.470 9.161 -4.460
309 HG2 PRO 41 1HG PRO 41 20.765 11.764 -5.909
310 HG3 PRO 41 2HG PRO 41 19.950 10.279 -6.432
311 HD2 PRO 41 1HD PRO 41 18.603 12.409 -5.442
312 HD3 PRO 41 2HD PRO 41 18.054 10.738 -5.205
313 H SER 42 H SER 42 20.296 13.440 -3.405
314 HA SER 42 HA SER 42 23.062 13.827 -2.480
315 HB2 SER 42 1HB SER 42 21.287 15.629 -4.142
316 HB3 SER 42 2HB SER 42 22.906 16.054 -3.588
317 HG SER 42 HG SER 42 22.357 14.863 -5.791
318 H SER 43 H SER 43 21.129 13.332 -0.555
319 HA SER 43 HA SER 43 20.745 15.987 0.668
320 HB2 SER 43 1HB SER 43 18.698 14.478 0.082
321 HB3 SER 43 2HB SER 43 19.182 13.563 1.509
322 HG SER 43 HG SER 43 18.066 16.087 1.310
323 H GLY 44 H GLY 44 22.153 16.373 2.237
324 HA2 GLY 44 1HA GLY 44 23.895 14.539 3.380
325 HA3 GLY 44 2HA GLY 44 23.468 16.086 4.097
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 9.161 -26.137 -7.638
2 HA2 GLY 1 1HA GLY 1 6.290 -26.421 -8.270
3 HA3 GLY 1 2HA GLY 1 7.040 -27.023 -6.799
4 H SER 2 H SER 2 4.917 -24.870 -7.680
5 HA SER 2 HA SER 2 5.832 -22.870 -5.723
6 HB2 SER 2 1HB SER 2 4.434 -22.394 -8.360
7 HB3 SER 2 2HB SER 2 4.541 -21.172 -7.092
8 HG SER 2 HG SER 2 6.947 -21.821 -7.279
9 H SER 3 H SER 3 4.406 -22.316 -4.175
10 HA SER 3 HA SER 3 1.820 -23.690 -4.198
11 HB2 SER 3 1HB SER 3 1.796 -23.447 -1.825
12 HB3 SER 3 2HB SER 3 3.438 -23.927 -2.254
13 HG SER 3 HG SER 3 2.852 -21.926 -0.797
14 H GLY 4 H GLY 4 -0.102 -22.571 -3.483
15 HA2 GLY 4 1HA GLY 4 -0.976 -20.302 -2.833
16 HA3 GLY 4 2HA GLY 4 -0.020 -19.701 -4.179
17 H SER 5 H SER 5 -2.061 -22.595 -3.985
18 HA SER 5 HA SER 5 -3.479 -21.662 -6.370
19 HB2 SER 5 1HB SER 5 -3.298 -24.383 -5.062
20 HB3 SER 5 2HB SER 5 -4.331 -24.033 -6.448
21 HG SER 5 HG SER 5 -2.381 -23.351 -7.541
22 H SER 6 H SER 6 -4.758 -20.105 -5.221
23 HA SER 6 HA SER 6 -7.154 -21.308 -4.070
24 HB2 SER 6 1HB SER 6 -5.511 -20.619 -2.220
25 HB3 SER 6 2HB SER 6 -5.867 -18.957 -2.689
26 HG SER 6 HG SER 6 -8.126 -19.529 -2.341
27 H GLY 7 H GLY 7 -9.011 -20.225 -4.551
28 HA2 GLY 7 1HA GLY 7 -8.992 -18.393 -6.693
29 HA3 GLY 7 2HA GLY 7 -10.386 -18.790 -5.700
30 H HIS 8 H HIS 8 -8.006 -16.462 -6.430
31 HA HIS 8 HA HIS 8 -8.351 -14.913 -4.020
32 HB2 HIS 8 1HB HIS 8 -6.981 -13.211 -5.265
33 HB3 HIS 8 2HB HIS 8 -6.206 -14.781 -5.081
34 HD1 HIS 8 HD1 HIS 8 -8.749 -13.883 -7.734
35 HD2 HIS 8 HD2 HIS 8 -4.714 -14.804 -7.374
36 HE1 HIS 8 HE1 HIS 8 -7.899 -14.111 -10.090
37 H THR 9 H THR 9 -10.823 -15.375 -5.037
38 HA THR 9 HA THR 9 -11.934 -13.677 -6.878
39 HB THR 9 HB THR 9 -13.233 -14.385 -4.242
40 HG1 THR 9 HG1 THR 9 -13.538 -15.867 -6.626
41 HG21 THR 9 3HG2 THR 9 -15.144 -13.577 -5.081
42 HG22 THR 9 1HG2 THR 9 -14.877 -14.349 -6.644
43 HG23 THR 9 2HG2 THR 9 -14.148 -12.780 -6.298
44 H ARG 10 H ARG 10 -11.346 -13.001 -3.439
45 HA ARG 10 HA ARG 10 -12.217 -10.251 -3.762
46 HB2 ARG 10 1HB ARG 10 -11.734 -10.062 -1.345
47 HB3 ARG 10 2HB ARG 10 -12.826 -11.391 -1.712
48 HG2 ARG 10 1HG ARG 10 -11.275 -12.996 -1.178
49 HG3 ARG 10 2HG ARG 10 -9.905 -11.932 -1.503
50 HD2 ARG 10 1HD ARG 10 -10.290 -10.711 0.519
51 HD3 ARG 10 2HD ARG 10 -11.811 -11.558 0.799
52 HE ARG 10 HE ARG 10 -9.478 -13.256 0.674
53 HH11 ARG 10 1HH1 ARG 10 -11.595 -11.375 2.699
54 HH12 ARG 10 2HH1 ARG 10 -11.190 -12.237 4.147
55 HH21 ARG 10 1HH2 ARG 10 -8.936 -14.398 2.573
56 HH22 ARG 10 2HH2 ARG 10 -9.677 -13.956 4.074
57 H LYS 11 H LYS 11 -10.926 -8.496 -3.895
58 HA LYS 11 HA LYS 11 -8.022 -8.982 -3.963
59 HB2 LYS 11 1HB LYS 11 -9.792 -7.090 -5.485
60 HB3 LYS 11 2HB LYS 11 -8.072 -6.767 -5.312
61 HG2 LYS 11 1HG LYS 11 -7.799 -9.193 -6.206
62 HG3 LYS 11 2HG LYS 11 -9.447 -8.961 -6.794
63 HD2 LYS 11 1HD LYS 11 -8.426 -6.696 -7.696
64 HD3 LYS 11 2HD LYS 11 -6.922 -7.615 -7.616
65 HE2 LYS 11 1HE LYS 11 -8.215 -9.436 -8.893
66 HE3 LYS 11 2HE LYS 11 -9.382 -8.162 -9.244
67 HZ1 LYS 11 3HZ LYS 11 -6.499 -7.847 -9.827
68 HZ2 LYS 11 1HZ LYS 11 -7.797 -6.948 -10.436
69 HZ3 LYS 11 2HZ LYS 11 -7.565 -8.547 -10.938
70 H ARG 12 H ARG 12 -6.759 -6.858 -3.537
71 HA ARG 12 HA ARG 12 -7.967 -5.085 -1.604
72 HB2 ARG 12 1HB ARG 12 -5.746 -6.965 -0.783
73 HB3 ARG 12 2HB ARG 12 -6.316 -5.603 0.172
74 HG2 ARG 12 1HG ARG 12 -8.570 -6.671 0.213
75 HG3 ARG 12 2HG ARG 12 -7.849 -8.083 -0.563
76 HD2 ARG 12 1HD ARG 12 -6.465 -8.520 1.298
77 HD3 ARG 12 2HD ARG 12 -6.784 -6.936 2.003
78 HE ARG 12 HE ARG 12 -9.214 -8.287 1.809
79 HH11 ARG 12 1HH1 ARG 12 -6.187 -8.562 3.506
80 HH12 ARG 12 2HH1 ARG 12 -6.882 -9.348 4.885
81 HH21 ARG 12 1HH2 ARG 12 -10.141 -9.321 3.618
82 HH22 ARG 12 2HH2 ARG 12 -9.131 -9.780 4.947
83 H TYR 13 H TYR 13 -6.830 -3.183 -1.336
84 HA TYR 13 HA TYR 13 -5.003 -2.506 -3.407
85 HB2 TYR 13 1HB TYR 13 -5.612 -0.907 -0.916
86 HB3 TYR 13 2HB TYR 13 -4.987 -0.299 -2.445
87 HD1 TYR 13 HD2 TYR 13 -7.966 -1.684 -0.763
88 HD2 TYR 13 HD1 TYR 13 -6.449 0.206 -4.260
89 HE1 TYR 13 HE2 TYR 13 -10.266 -1.258 -1.524
90 HE2 TYR 13 HE1 TYR 13 -8.744 0.638 -5.030
91 HH TYR 13 HH TYR 13 -11.502 -0.757 -3.460
92 H GLU 14 H GLU 14 -2.902 -2.902 -3.460
93 HA GLU 14 HA GLU 14 -1.452 -3.161 -0.907
94 HB2 GLU 14 1HB GLU 14 -1.715 -5.179 -2.559
95 HB3 GLU 14 2HB GLU 14 -0.446 -4.361 -3.460
96 HG2 GLU 14 1HG GLU 14 1.114 -4.639 -1.760
97 HG3 GLU 14 2HG GLU 14 -0.125 -4.947 -0.545
98 H CYS 15 H CYS 15 0.714 -2.375 -0.824
99 HA CYS 15 HA CYS 15 1.179 -0.152 -2.692
100 HB2 CYS 15 1HB CYS 15 0.923 0.358 -0.239
101 HB3 CYS 15 2HB CYS 15 2.408 -0.546 0.041
102 H SER 16 H SER 16 2.767 -0.338 -4.116
103 HA SER 16 HA SER 16 4.646 -2.538 -3.904
104 HB2 SER 16 1HB SER 16 5.161 -2.145 -6.176
105 HB3 SER 16 2HB SER 16 3.433 -1.818 -6.050
106 HG SER 16 HG SER 16 3.891 0.075 -6.814
107 H LYS 17 H LYS 17 4.951 -0.507 -1.946
108 HA LYS 17 HA LYS 17 7.658 0.411 -2.623
109 HB2 LYS 17 1HB LYS 17 5.806 2.230 -2.700
110 HB3 LYS 17 2HB LYS 17 5.831 2.106 -0.946
111 HG2 LYS 17 1HG LYS 17 7.930 3.012 -0.772
112 HG3 LYS 17 2HG LYS 17 8.396 2.518 -2.401
113 HD2 LYS 17 1HD LYS 17 6.218 4.532 -2.011
114 HD3 LYS 17 2HD LYS 17 7.909 5.027 -1.898
115 HE2 LYS 17 1HE LYS 17 8.343 4.463 -4.123
116 HE3 LYS 17 2HE LYS 17 6.910 3.443 -4.240
117 HZ1 LYS 17 3HZ LYS 17 5.661 5.170 -4.832
118 HZ2 LYS 17 1HZ LYS 17 7.104 6.014 -5.094
119 HZ3 LYS 17 2HZ LYS 17 6.288 6.171 -3.621
120 H CYS 18 H CYS 18 5.317 0.036 0.036
121 HA CYS 18 HA CYS 18 7.551 -0.836 1.750
122 HB2 CYS 18 1HB CYS 18 6.215 -0.065 3.672
123 HB3 CYS 18 2HB CYS 18 6.555 1.247 2.548
124 H GLN 19 H GLN 19 5.157 -2.050 -0.033
125 HA GLN 19 HA GLN 19 3.958 -3.982 -0.054
126 HB2 GLN 19 1HB GLN 19 6.137 -4.627 1.909
127 HB3 GLN 19 2HB GLN 19 4.876 -5.800 1.550
128 HG2 GLN 19 1HG GLN 19 5.485 -5.612 -0.857
129 HG3 GLN 19 2HG GLN 19 6.845 -4.599 -0.378
130 HE21 GLN 19 1HE2 GLN 19 8.511 -5.889 -0.904
131 HE22 GLN 19 2HE2 GLN 19 8.791 -7.454 -0.227
132 H ALA 20 H ALA 20 2.567 -2.131 1.182
133 HA ALA 20 HA ALA 20 1.598 -3.347 3.685
134 HB1 ALA 20 3HB ALA 20 2.224 -1.199 4.270
135 HB2 ALA 20 1HB ALA 20 1.688 -0.513 2.736
136 HB3 ALA 20 2HB ALA 20 0.501 -1.012 3.942
137 H THR 21 H THR 21 -0.452 -4.055 3.815
138 HA THR 21 HA THR 21 -2.125 -3.775 1.416
139 HB THR 21 HB THR 21 -3.388 -5.724 2.305
140 HG1 THR 21 HG1 THR 21 -1.297 -5.797 4.245
141 HG21 THR 21 3HG2 THR 21 -1.079 -7.208 2.275
142 HG22 THR 21 1HG2 THR 21 -0.599 -5.740 1.426
143 HG23 THR 21 2HG2 THR 21 -1.973 -6.683 0.849
144 H PHE 22 H PHE 22 -4.083 -2.823 1.486
145 HA PHE 22 HA PHE 22 -5.026 -1.870 4.110
146 HB2 PHE 22 1HB PHE 22 -5.263 -0.568 1.392
147 HB3 PHE 22 2HB PHE 22 -6.084 0.012 2.837
148 HD1 PHE 22 HD1 PHE 22 -2.619 -1.077 1.963
149 HD2 PHE 22 HD2 PHE 22 -5.115 1.853 3.780
150 HE1 PHE 22 HE1 PHE 22 -0.630 0.244 2.556
151 HE2 PHE 22 HE2 PHE 22 -3.130 3.180 4.375
152 HZ PHE 22 HZ PHE 22 -0.884 2.376 3.762
153 H ASN 23 H ASN 23 -7.439 -1.350 4.076
154 HA ASN 23 HA ASN 23 -8.821 -3.675 2.959
155 HB2 ASN 23 1HB ASN 23 -10.697 -2.633 4.521
156 HB3 ASN 23 2HB ASN 23 -9.398 -3.621 5.182
157 HD21 ASN 23 1HD2 ASN 23 -9.133 -2.764 7.145
158 HD22 ASN 23 2HD2 ASN 23 -8.738 -1.111 7.458
159 H LEU 24 H LEU 24 -9.323 -0.164 3.306
160 HA LEU 24 HA LEU 24 -11.173 -0.272 1.024
161 HB2 LEU 24 1HB LEU 24 -10.814 1.742 3.231
162 HB3 LEU 24 2HB LEU 24 -11.811 2.042 1.809
163 HG LEU 24 HG LEU 24 -13.011 -0.165 2.559
164 HD11 LEU 24 1HD1 LEU 24 -12.089 0.819 5.240
165 HD12 LEU 24 2HD1 LEU 24 -11.259 -0.482 4.386
166 HD13 LEU 24 3HD1 LEU 24 -12.953 -0.667 4.843
167 HD21 LEU 24 3HD2 LEU 24 -14.539 1.200 3.951
168 HD22 LEU 24 1HD2 LEU 24 -14.116 1.969 2.421
169 HD23 LEU 24 2HD2 LEU 24 -13.353 2.506 3.918
170 H ARG 25 H ARG 25 -11.155 1.893 -0.253
171 HA ARG 25 HA ARG 25 -8.488 2.181 -1.317
172 HB2 ARG 25 1HB ARG 25 -10.365 2.041 -2.855
173 HB3 ARG 25 2HB ARG 25 -11.112 3.451 -2.116
174 HG2 ARG 25 1HG ARG 25 -9.374 4.880 -2.929
175 HG3 ARG 25 2HG ARG 25 -8.447 3.495 -3.510
176 HD2 ARG 25 1HD ARG 25 -9.580 4.563 -5.362
177 HD3 ARG 25 2HD ARG 25 -10.267 2.964 -5.079
178 HE ARG 25 HE ARG 25 -11.850 4.674 -3.644
179 HH11 ARG 25 1HH1 ARG 25 -10.875 4.394 -6.974
180 HH12 ARG 25 2HH1 ARG 25 -12.337 5.085 -7.596
181 HH21 ARG 25 1HH2 ARG 25 -13.779 5.585 -4.451
182 HH22 ARG 25 2HH2 ARG 25 -13.988 5.763 -6.160
183 H LYS 26 H LYS 26 -10.932 4.426 -0.011
184 HA LYS 26 HA LYS 26 -9.616 6.788 -0.048
185 HB2 LYS 26 1HB LYS 26 -10.797 7.366 2.073
186 HB3 LYS 26 2HB LYS 26 -11.839 6.646 0.853
187 HG2 LYS 26 1HG LYS 26 -11.675 4.486 2.006
188 HG3 LYS 26 2HG LYS 26 -10.669 5.239 3.245
189 HD2 LYS 26 1HD LYS 26 -12.706 5.395 4.266
190 HD3 LYS 26 2HD LYS 26 -12.714 6.916 3.371
191 HE2 LYS 26 1HE LYS 26 -13.774 4.484 2.027
192 HE3 LYS 26 2HE LYS 26 -14.755 5.230 3.287
193 HZ1 LYS 26 3HZ LYS 26 -13.974 6.294 0.668
194 HZ2 LYS 26 1HZ LYS 26 -14.221 7.382 1.940
195 HZ3 LYS 26 2HZ LYS 26 -15.472 6.355 1.452
196 H HIS 27 H HIS 27 -9.080 4.163 2.255
197 HA HIS 27 HA HIS 27 -7.292 5.511 3.952
198 HB2 HIS 27 1HB HIS 27 -7.655 2.587 3.308
199 HB3 HIS 27 2HB HIS 27 -6.489 3.153 4.500
200 HD1 HIS 27 HD1 HIS 27 -10.225 3.462 3.839
201 HD2 HIS 27 HD2 HIS 27 -7.522 3.343 6.992
202 HE1 HIS 27 HE1 HIS 27 -11.626 3.479 5.927
203 H LEU 28 H LEU 28 -6.669 3.382 1.169
204 HA LEU 28 HA LEU 28 -3.905 3.423 1.197
205 HB2 LEU 28 1HB LEU 28 -4.894 1.943 -0.302
206 HB3 LEU 28 2HB LEU 28 -5.917 3.193 -1.007
207 HG LEU 28 HG LEU 28 -3.750 4.185 -1.940
208 HD11 LEU 28 1HD1 LEU 28 -2.774 1.705 -0.693
209 HD12 LEU 28 2HD1 LEU 28 -1.926 3.206 -1.059
210 HD13 LEU 28 3HD1 LEU 28 -2.198 2.016 -2.331
211 HD21 LEU 28 3HD2 LEU 28 -4.617 3.340 -3.798
212 HD22 LEU 28 1HD2 LEU 28 -5.482 2.122 -2.861
213 HD23 LEU 28 2HD2 LEU 28 -3.851 1.791 -3.444
214 H ILE 29 H ILE 29 -5.995 5.533 -0.785
215 HA ILE 29 HA ILE 29 -4.211 7.188 -1.937
216 HB ILE 29 HB ILE 29 -6.766 8.065 -0.587
217 HG12 ILE 29 1HG1 ILE 29 -6.387 7.590 -3.527
218 HG13 ILE 29 2HG1 ILE 29 -6.725 6.240 -2.449
219 HG21 ILE 29 1HG2 ILE 29 -6.696 9.966 -2.161
220 HG22 ILE 29 2HG2 ILE 29 -5.365 9.986 -1.006
221 HG23 ILE 29 3HG2 ILE 29 -5.085 9.458 -2.665
222 HD11 ILE 29 3HD1 ILE 29 -8.711 7.726 -1.667
223 HD12 ILE 29 1HD1 ILE 29 -8.461 8.533 -3.215
224 HD13 ILE 29 2HD1 ILE 29 -8.824 6.808 -3.169
225 H GLN 30 H GLN 30 -5.373 7.513 1.405
226 HA GLN 30 HA GLN 30 -3.911 9.821 2.050
227 HB2 GLN 30 1HB GLN 30 -5.804 8.847 3.378
228 HB3 GLN 30 2HB GLN 30 -4.695 7.605 3.946
229 HG2 GLN 30 1HG GLN 30 -4.677 9.141 5.666
230 HG3 GLN 30 2HG GLN 30 -3.241 9.574 4.740
231 HE21 GLN 30 1HE2 GLN 30 -6.308 10.578 5.871
232 HE22 GLN 30 2HE2 GLN 30 -6.281 12.175 5.214
233 H HIS 31 H HIS 31 -3.107 6.388 2.337
234 HA HIS 31 HA HIS 31 -0.694 6.643 3.718
235 HB2 HIS 31 1HB HIS 31 -1.591 4.465 3.522
236 HB3 HIS 31 2HB HIS 31 -1.709 4.582 1.769
237 HD1 HIS 31 HD1 HIS 31 0.784 4.012 4.521
238 HD2 HIS 31 HD2 HIS 31 0.581 3.875 0.374
239 HE1 HIS 31 HE1 HIS 31 2.918 2.908 3.780
240 H GLN 32 H GLN 32 -1.161 6.257 0.200
241 HA GLN 32 HA GLN 32 1.350 6.447 -0.745
242 HB2 GLN 32 1HB GLN 32 -1.166 7.734 -1.775
243 HB3 GLN 32 2HB GLN 32 0.353 7.859 -2.653
244 HG2 GLN 32 1HG GLN 32 0.457 5.519 -2.988
245 HG3 GLN 32 2HG GLN 32 -0.860 5.231 -1.852
246 HE21 GLN 32 1HE2 GLN 32 -1.619 4.001 -3.782
247 HE22 GLN 32 2HE2 GLN 32 -2.586 4.850 -4.935
248 H LYS 33 H LYS 33 -0.427 8.996 0.813
249 HA LYS 33 HA LYS 33 1.015 11.233 -0.003
250 HB2 LYS 33 1HB LYS 33 -0.150 10.735 2.742
251 HB3 LYS 33 2HB LYS 33 0.230 12.302 2.040
252 HG2 LYS 33 1HG LYS 33 -1.730 10.445 0.741
253 HG3 LYS 33 2HG LYS 33 -2.209 11.540 2.041
254 HD2 LYS 33 1HD LYS 33 -1.669 13.449 0.768
255 HD3 LYS 33 2HD LYS 33 -0.761 12.503 -0.413
256 HE2 LYS 33 1HE LYS 33 -3.658 11.924 -0.013
257 HE3 LYS 33 2HE LYS 33 -3.195 13.354 -0.933
258 HZ1 LYS 33 3HZ LYS 33 -3.519 11.017 -2.070
259 HZ2 LYS 33 1HZ LYS 33 -1.899 10.827 -1.619
260 HZ3 LYS 33 2HZ LYS 33 -2.354 12.114 -2.618
261 H THR 34 H THR 34 1.620 9.039 2.724
262 HA THR 34 HA THR 34 3.921 10.374 3.675
263 HB THR 34 HB THR 34 2.695 8.792 5.079
264 HG1 THR 34 HG1 THR 34 4.551 8.538 6.045
265 HG21 THR 34 3HG2 THR 34 3.134 7.034 2.811
266 HG22 THR 34 1HG2 THR 34 1.976 6.897 4.134
267 HG23 THR 34 2HG2 THR 34 3.619 6.286 4.332
268 H HIS 35 H HIS 35 3.430 8.619 0.861
269 HA HIS 35 HA HIS 35 6.216 7.735 0.674
270 HB2 HIS 35 1HB HIS 35 3.691 7.035 -0.745
271 HB3 HIS 35 2HB HIS 35 5.202 6.880 -1.636
272 HD1 HIS 35 HD1 HIS 35 7.050 5.713 0.451
273 HD2 HIS 35 HD2 HIS 35 3.106 4.494 -0.022
274 HE1 HIS 35 HE1 HIS 35 6.939 3.400 1.432
275 H ALA 36 H ALA 36 5.220 10.575 0.514
276 HA ALA 36 HA ALA 36 6.439 11.222 -2.090
277 HB1 ALA 36 3HB ALA 36 4.974 13.151 -2.278
278 HB2 ALA 36 1HB ALA 36 4.029 11.669 -2.135
279 HB3 ALA 36 2HB ALA 36 4.207 12.739 -0.744
280 H ALA 37 H ALA 37 7.789 13.031 -2.167
281 HA ALA 37 HA ALA 37 8.376 14.391 0.358
282 HB1 ALA 37 3HB ALA 37 9.905 12.347 -0.111
283 HB2 ALA 37 1HB ALA 37 10.665 13.410 -1.295
284 HB3 ALA 37 2HB ALA 37 10.627 13.869 0.408
285 H LYS 38 H LYS 38 8.866 16.504 0.126
286 HA LYS 38 HA LYS 38 8.504 17.721 -2.433
287 HB2 LYS 38 1HB LYS 38 8.961 18.666 0.350
288 HB3 LYS 38 2HB LYS 38 9.357 19.778 -0.954
289 HG2 LYS 38 1HG LYS 38 7.176 20.336 -0.479
290 HG3 LYS 38 2HG LYS 38 6.983 19.209 -1.824
291 HD2 LYS 38 1HD LYS 38 6.503 17.403 -0.260
292 HD3 LYS 38 2HD LYS 38 6.744 18.501 1.101
293 HE2 LYS 38 1HE LYS 38 4.674 18.933 -1.045
294 HE3 LYS 38 2HE LYS 38 4.348 18.080 0.463
295 HZ1 LYS 38 3HZ LYS 38 5.606 20.545 1.012
296 HZ2 LYS 38 1HZ LYS 38 4.076 20.005 1.491
297 HZ3 LYS 38 2HZ LYS 38 4.264 20.814 0.018
298 H SER 39 H SER 39 11.268 17.227 -0.278
299 HA SER 39 HA SER 39 13.255 18.686 -1.312
300 HB2 SER 39 1HB SER 39 13.562 15.713 -0.834
301 HB3 SER 39 2HB SER 39 14.825 16.940 -0.731
302 HG SER 39 HG SER 39 13.126 17.843 0.902
303 H GLY 40 H GLY 40 12.462 15.478 -2.673
304 HA2 GLY 40 1HA GLY 40 12.400 16.230 -5.344
305 HA3 GLY 40 2HA GLY 40 14.076 15.842 -4.982
306 HA PRO 41 HA PRO 41 11.835 11.958 -6.244
307 HB2 PRO 41 1HB PRO 41 13.652 11.217 -8.120
308 HB3 PRO 41 2HB PRO 41 12.288 12.285 -8.472
309 HG2 PRO 41 1HG PRO 41 15.147 12.982 -7.923
310 HG3 PRO 41 2HG PRO 41 14.051 13.641 -9.151
311 HD2 PRO 41 1HD PRO 41 14.590 14.934 -6.834
312 HD3 PRO 41 2HD PRO 41 13.018 15.054 -7.651
313 H SER 42 H SER 42 12.245 10.073 -5.250
314 HA SER 42 HA SER 42 14.674 9.794 -3.719
315 HB2 SER 42 1HB SER 42 13.615 7.820 -2.763
316 HB3 SER 42 2HB SER 42 12.460 9.152 -2.793
317 HG SER 42 HG SER 42 12.388 6.743 -4.087
318 H SER 43 H SER 43 15.427 9.830 -6.303
319 HA SER 43 HA SER 43 15.491 7.529 -7.795
320 HB2 SER 43 1HB SER 43 17.770 9.483 -7.396
321 HB3 SER 43 2HB SER 43 17.620 8.342 -8.733
322 HG SER 43 HG SER 43 16.661 10.008 -9.623
323 H GLY 44 H GLY 44 17.382 6.038 -8.139
324 HA2 GLY 44 1HA GLY 44 18.410 4.165 -7.236
325 HA3 GLY 44 2HA GLY 44 19.411 5.405 -6.494
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 -2.582 -30.385 -14.577
2 HA2 GLY 1 1HA GLY 1 -3.776 -32.182 -12.671
3 HA3 GLY 1 2HA GLY 1 -3.208 -30.549 -12.354
4 H SER 2 H SER 2 -4.718 -29.117 -11.854
5 HA SER 2 HA SER 2 -7.416 -29.460 -12.971
6 HB2 SER 2 1HB SER 2 -6.767 -28.772 -10.094
7 HB3 SER 2 2HB SER 2 -8.384 -28.808 -10.796
8 HG SER 2 HG SER 2 -6.624 -30.944 -10.274
9 H SER 3 H SER 3 -8.266 -27.665 -13.816
10 HA SER 3 HA SER 3 -7.299 -25.048 -12.945
11 HB2 SER 3 1HB SER 3 -7.307 -25.934 -15.841
12 HB3 SER 3 2HB SER 3 -6.946 -24.306 -15.268
13 HG SER 3 HG SER 3 -5.364 -26.541 -15.310
14 H GLY 4 H GLY 4 -8.892 -23.591 -12.797
15 HA2 GLY 4 1HA GLY 4 -11.206 -23.680 -14.516
16 HA3 GLY 4 2HA GLY 4 -11.548 -24.153 -12.859
17 H SER 5 H SER 5 -12.685 -22.484 -12.069
18 HA SER 5 HA SER 5 -11.505 -19.795 -12.324
19 HB2 SER 5 1HB SER 5 -13.676 -19.974 -13.463
20 HB3 SER 5 2HB SER 5 -14.420 -20.538 -11.967
21 HG SER 5 HG SER 5 -13.160 -18.019 -12.331
22 H SER 6 H SER 6 -10.221 -20.090 -10.459
23 HA SER 6 HA SER 6 -11.703 -20.321 -7.928
24 HB2 SER 6 1HB SER 6 -8.934 -21.062 -8.761
25 HB3 SER 6 2HB SER 6 -9.196 -20.579 -7.085
26 HG SER 6 HG SER 6 -9.445 -22.864 -7.494
27 H GLY 7 H GLY 7 -12.386 -18.155 -7.843
28 HA2 GLY 7 1HA GLY 7 -10.807 -16.391 -6.410
29 HA3 GLY 7 2HA GLY 7 -10.595 -15.957 -8.099
30 H HIS 8 H HIS 8 -12.574 -15.688 -5.349
31 HA HIS 8 HA HIS 8 -14.706 -14.431 -6.948
32 HB2 HIS 8 1HB HIS 8 -15.206 -16.464 -5.405
33 HB3 HIS 8 2HB HIS 8 -15.065 -15.296 -4.094
34 HD1 HIS 8 HD1 HIS 8 -17.185 -14.192 -3.474
35 HD2 HIS 8 HD2 HIS 8 -17.238 -15.536 -7.405
36 HE1 HIS 8 HE1 HIS 8 -19.499 -13.694 -4.324
37 H THR 9 H THR 9 -13.203 -12.557 -6.973
38 HA THR 9 HA THR 9 -12.430 -10.545 -6.203
39 HB THR 9 HB THR 9 -14.944 -10.460 -4.544
40 HG1 THR 9 HG1 THR 9 -15.418 -11.232 -6.685
41 HG21 THR 9 3HG2 THR 9 -13.715 -8.498 -4.218
42 HG22 THR 9 1HG2 THR 9 -14.858 -8.062 -5.488
43 HG23 THR 9 2HG2 THR 9 -13.185 -8.439 -5.899
44 H ARG 10 H ARG 10 -11.275 -12.598 -4.782
45 HA ARG 10 HA ARG 10 -11.371 -11.741 -1.976
46 HB2 ARG 10 1HB ARG 10 -10.358 -14.246 -3.309
47 HB3 ARG 10 2HB ARG 10 -9.966 -13.852 -1.641
48 HG2 ARG 10 1HG ARG 10 -12.821 -13.841 -2.473
49 HG3 ARG 10 2HG ARG 10 -12.006 -15.388 -2.236
50 HD2 ARG 10 1HD ARG 10 -12.920 -14.937 -0.146
51 HD3 ARG 10 2HD ARG 10 -11.248 -14.400 0.016
52 HE ARG 10 HE ARG 10 -12.921 -12.266 -0.813
53 HH11 ARG 10 1HH1 ARG 10 -12.062 -14.180 1.965
54 HH12 ARG 10 2HH1 ARG 10 -12.450 -12.936 3.106
55 HH21 ARG 10 1HH2 ARG 10 -13.436 -10.619 0.679
56 HH22 ARG 10 2HH2 ARG 10 -13.232 -10.911 2.373
57 H LYS 11 H LYS 11 -10.174 -9.794 -2.451
58 HA LYS 11 HA LYS 11 -7.324 -10.217 -2.208
59 HB2 LYS 11 1HB LYS 11 -6.732 -8.737 -4.078
60 HB3 LYS 11 2HB LYS 11 -7.576 -10.177 -4.634
61 HG2 LYS 11 1HG LYS 11 -8.659 -8.609 -5.866
62 HG3 LYS 11 2HG LYS 11 -9.679 -8.592 -4.425
63 HD2 LYS 11 1HD LYS 11 -9.260 -6.328 -4.908
64 HD3 LYS 11 2HD LYS 11 -8.169 -6.722 -3.577
65 HE2 LYS 11 1HE LYS 11 -6.840 -5.521 -5.079
66 HE3 LYS 11 2HE LYS 11 -6.431 -7.207 -5.390
67 HZ1 LYS 11 3HZ LYS 11 -7.497 -5.286 -7.167
68 HZ2 LYS 11 1HZ LYS 11 -8.560 -6.597 -7.049
69 HZ3 LYS 11 2HZ LYS 11 -6.950 -6.852 -7.498
70 H ARG 12 H ARG 12 -6.213 -7.942 -2.117
71 HA ARG 12 HA ARG 12 -7.971 -5.936 -0.924
72 HB2 ARG 12 1HB ARG 12 -5.679 -7.295 0.479
73 HB3 ARG 12 2HB ARG 12 -6.234 -5.695 0.952
74 HG2 ARG 12 1HG ARG 12 -8.259 -6.481 1.735
75 HG3 ARG 12 2HG ARG 12 -8.178 -7.952 0.764
76 HD2 ARG 12 1HD ARG 12 -7.759 -8.661 2.959
77 HD3 ARG 12 2HD ARG 12 -6.170 -8.588 2.199
78 HE ARG 12 HE ARG 12 -6.431 -6.150 3.352
79 HH11 ARG 12 1HH1 ARG 12 -6.757 -9.414 4.519
80 HH12 ARG 12 2HH1 ARG 12 -6.251 -9.027 6.131
81 HH21 ARG 12 1HH2 ARG 12 -5.763 -5.628 5.470
82 HH22 ARG 12 2HH2 ARG 12 -5.687 -6.873 6.670
83 H TYR 13 H TYR 13 -6.891 -3.847 -0.621
84 HA TYR 13 HA TYR 13 -5.297 -3.190 -2.893
85 HB2 TYR 13 1HB TYR 13 -5.872 -1.435 -0.502
86 HB3 TYR 13 2HB TYR 13 -5.437 -0.917 -2.127
87 HD1 TYR 13 HD1 TYR 13 -7.074 -0.990 -3.938
88 HD2 TYR 13 HD2 TYR 13 -8.127 -2.133 0.023
89 HE1 TYR 13 HE1 TYR 13 -9.456 -0.843 -4.535
90 HE2 TYR 13 HE2 TYR 13 -10.511 -1.991 -0.563
91 HH TYR 13 HH TYR 13 -11.879 -0.640 -2.390
92 H GLU 14 H GLU 14 -3.199 -3.597 -3.035
93 HA GLU 14 HA GLU 14 -1.565 -3.533 -0.594
94 HB2 GLU 14 1HB GLU 14 -1.408 -5.047 -3.150
95 HB3 GLU 14 2HB GLU 14 0.108 -4.621 -2.369
96 HG2 GLU 14 1HG GLU 14 -0.448 -5.834 -0.417
97 HG3 GLU 14 2HG GLU 14 -2.120 -6.037 -0.939
98 H CYS 15 H CYS 15 0.459 -2.467 -0.593
99 HA CYS 15 HA CYS 15 0.536 -0.170 -2.407
100 HB2 CYS 15 1HB CYS 15 0.632 -0.051 0.205
101 HB3 CYS 15 2HB CYS 15 2.325 -0.478 -0.020
102 H SER 16 H SER 16 1.968 -0.058 -3.999
103 HA SER 16 HA SER 16 4.001 -2.110 -4.242
104 HB2 SER 16 1HB SER 16 4.394 -1.081 -6.484
105 HB3 SER 16 2HB SER 16 2.721 -1.575 -6.227
106 HG SER 16 HG SER 16 3.416 1.034 -5.536
107 H LYS 17 H LYS 17 4.133 0.171 -2.253
108 HA LYS 17 HA LYS 17 6.792 1.172 -3.039
109 HB2 LYS 17 1HB LYS 17 4.503 2.546 -1.683
110 HB3 LYS 17 2HB LYS 17 6.147 3.053 -1.322
111 HG2 LYS 17 1HG LYS 17 6.344 3.139 -3.944
112 HG3 LYS 17 2HG LYS 17 4.590 3.310 -3.839
113 HD2 LYS 17 1HD LYS 17 5.186 5.510 -3.724
114 HD3 LYS 17 2HD LYS 17 5.244 5.108 -2.007
115 HE2 LYS 17 1HE LYS 17 7.257 6.197 -2.312
116 HE3 LYS 17 2HE LYS 17 7.724 4.508 -2.504
117 HZ1 LYS 17 3HZ LYS 17 8.337 4.871 -4.594
118 HZ2 LYS 17 1HZ LYS 17 8.197 6.528 -4.280
119 HZ3 LYS 17 2HZ LYS 17 6.904 5.686 -4.973
120 H CYS 18 H CYS 18 4.717 0.205 -0.335
121 HA CYS 18 HA CYS 18 7.154 -0.462 1.183
122 HB2 CYS 18 1HB CYS 18 5.872 -0.020 3.247
123 HB3 CYS 18 2HB CYS 18 6.003 1.413 2.232
124 H GLN 19 H GLN 19 4.781 -1.797 -0.544
125 HA GLN 19 HA GLN 19 3.779 -3.838 -0.646
126 HB2 GLN 19 1HB GLN 19 6.295 -4.320 0.866
127 HB3 GLN 19 2HB GLN 19 5.104 -5.613 0.842
128 HG2 GLN 19 1HG GLN 19 5.168 -5.713 -1.549
129 HG3 GLN 19 2HG GLN 19 6.205 -4.289 -1.623
130 HE21 GLN 19 1HE2 GLN 19 6.677 -6.944 -2.681
131 HE22 GLN 19 2HE2 GLN 19 8.130 -7.514 -1.942
132 H ALA 20 H ALA 20 2.490 -2.157 1.050
133 HA ALA 20 HA ALA 20 1.883 -3.751 3.444
134 HB1 ALA 20 3HB ALA 20 1.381 -0.859 2.782
135 HB2 ALA 20 1HB ALA 20 0.677 -1.665 4.185
136 HB3 ALA 20 2HB ALA 20 2.429 -1.524 4.035
137 H THR 21 H THR 21 -0.531 -3.455 4.121
138 HA THR 21 HA THR 21 -2.226 -3.891 1.749
139 HB THR 21 HB THR 21 -3.535 -5.521 3.117
140 HG1 THR 21 HG1 THR 21 -1.549 -4.838 4.965
141 HG21 THR 21 3HG2 THR 21 -1.303 -7.120 3.242
142 HG22 THR 21 1HG2 THR 21 -0.838 -5.896 2.061
143 HG23 THR 21 2HG2 THR 21 -2.295 -6.856 1.809
144 H PHE 22 H PHE 22 -4.305 -3.085 1.808
145 HA PHE 22 HA PHE 22 -5.114 -1.602 4.208
146 HB2 PHE 22 1HB PHE 22 -5.080 -0.521 1.385
147 HB3 PHE 22 2HB PHE 22 -5.907 0.259 2.729
148 HD1 PHE 22 HD2 PHE 22 -4.636 1.279 4.547
149 HD2 PHE 22 HD1 PHE 22 -2.698 -0.447 1.174
150 HE1 PHE 22 HE2 PHE 22 -2.557 2.448 5.148
151 HE2 PHE 22 HE1 PHE 22 -0.615 0.719 1.770
152 HZ PHE 22 HZ PHE 22 -0.543 2.170 3.759
153 H ASN 23 H ASN 23 -7.254 -1.688 4.676
154 HA ASN 23 HA ASN 23 -8.841 -3.660 3.393
155 HB2 ASN 23 1HB ASN 23 -9.216 -1.740 5.638
156 HB3 ASN 23 2HB ASN 23 -10.662 -2.422 4.901
157 HD21 ASN 23 1HD2 ASN 23 -8.262 -2.868 7.173
158 HD22 ASN 23 2HD2 ASN 23 -8.520 -4.544 7.505
159 H LEU 24 H LEU 24 -9.040 -0.112 3.510
160 HA LEU 24 HA LEU 24 -11.014 -0.193 1.339
161 HB2 LEU 24 1HB LEU 24 -10.222 1.997 3.247
162 HB3 LEU 24 2HB LEU 24 -11.334 2.226 1.899
163 HG LEU 24 HG LEU 24 -11.950 0.108 3.900
164 HD11 LEU 24 1HD1 LEU 24 -12.862 1.584 5.470
165 HD12 LEU 24 2HD1 LEU 24 -12.709 2.969 4.390
166 HD13 LEU 24 3HD1 LEU 24 -11.269 2.248 5.107
167 HD21 LEU 24 3HD2 LEU 24 -14.129 0.409 3.201
168 HD22 LEU 24 1HD2 LEU 24 -13.227 0.731 1.721
169 HD23 LEU 24 2HD2 LEU 24 -13.846 2.072 2.684
170 H ARG 25 H ARG 25 -10.812 1.466 -0.366
171 HA ARG 25 HA ARG 25 -8.123 1.477 -1.408
172 HB2 ARG 25 1HB ARG 25 -9.930 1.032 -2.942
173 HB3 ARG 25 2HB ARG 25 -10.729 2.536 -2.506
174 HG2 ARG 25 1HG ARG 25 -9.725 2.942 -4.582
175 HG3 ARG 25 2HG ARG 25 -8.670 3.718 -3.399
176 HD2 ARG 25 1HD ARG 25 -7.028 2.087 -3.609
177 HD3 ARG 25 2HD ARG 25 -8.150 0.908 -4.286
178 HE ARG 25 HE ARG 25 -6.697 2.945 -5.713
179 HH11 ARG 25 1HH1 ARG 25 -9.448 0.812 -5.741
180 HH12 ARG 25 2HH1 ARG 25 -9.592 0.808 -7.468
181 HH21 ARG 25 1HH2 ARG 25 -6.877 2.949 -7.987
182 HH22 ARG 25 2HH2 ARG 25 -8.128 2.023 -8.744
183 H LYS 26 H LYS 26 -10.511 3.935 -0.464
184 HA LYS 26 HA LYS 26 -9.054 6.216 -1.046
185 HB2 LYS 26 1HB LYS 26 -10.415 7.328 0.704
186 HB3 LYS 26 2HB LYS 26 -11.377 6.341 -0.389
187 HG2 LYS 26 1HG LYS 26 -11.051 4.513 1.450
188 HG3 LYS 26 2HG LYS 26 -10.726 5.906 2.484
189 HD2 LYS 26 1HD LYS 26 -12.878 6.863 1.932
190 HD3 LYS 26 2HD LYS 26 -13.195 5.561 0.784
191 HE2 LYS 26 1HE LYS 26 -13.070 3.947 2.666
192 HE3 LYS 26 2HE LYS 26 -12.897 5.307 3.775
193 HZ1 LYS 26 3HZ LYS 26 -15.207 4.375 3.485
194 HZ2 LYS 26 1HZ LYS 26 -15.202 5.053 1.935
195 HZ3 LYS 26 2HZ LYS 26 -15.055 6.049 3.294
196 H HIS 27 H HIS 27 -8.923 4.149 1.813
197 HA HIS 27 HA HIS 27 -7.322 5.723 3.452
198 HB2 HIS 27 1HB HIS 27 -7.709 2.761 3.180
199 HB3 HIS 27 2HB HIS 27 -6.487 3.388 4.283
200 HD1 HIS 27 HD1 HIS 27 -7.328 3.610 6.585
201 HD2 HIS 27 HD2 HIS 27 -10.350 4.172 3.789
202 HE1 HIS 27 HE1 HIS 27 -9.417 4.017 7.925
203 H LEU 28 H LEU 28 -6.375 3.390 0.953
204 HA LEU 28 HA LEU 28 -3.613 3.499 1.333
205 HB2 LEU 28 1HB LEU 28 -4.450 1.795 -0.047
206 HB3 LEU 28 2HB LEU 28 -5.320 2.937 -1.070
207 HG LEU 28 HG LEU 28 -3.007 3.776 -1.782
208 HD11 LEU 28 1HD1 LEU 28 -1.811 2.612 0.068
209 HD12 LEU 28 2HD1 LEU 28 -1.164 2.274 -1.537
210 HD13 LEU 28 3HD1 LEU 28 -2.176 1.080 -0.726
211 HD21 LEU 28 3HD2 LEU 28 -4.189 2.669 -3.428
212 HD22 LEU 28 1HD2 LEU 28 -4.251 1.160 -2.518
213 HD23 LEU 28 2HD2 LEU 28 -2.744 1.668 -3.281
214 H ILE 29 H ILE 29 -5.504 5.223 -1.157
215 HA ILE 29 HA ILE 29 -3.633 6.793 -2.296
216 HB ILE 29 HB ILE 29 -6.392 7.674 -1.444
217 HG12 ILE 29 1HG1 ILE 29 -5.525 6.896 -4.214
218 HG13 ILE 29 2HG1 ILE 29 -5.995 5.666 -3.046
219 HG21 ILE 29 1HG2 ILE 29 -6.164 9.386 -3.220
220 HG22 ILE 29 2HG2 ILE 29 -5.058 9.632 -1.869
221 HG23 ILE 29 3HG2 ILE 29 -4.464 8.946 -3.381
222 HD11 ILE 29 3HD1 ILE 29 -8.031 5.976 -3.914
223 HD12 ILE 29 1HD1 ILE 29 -8.076 7.378 -2.846
224 HD13 ILE 29 2HD1 ILE 29 -7.634 7.575 -4.542
225 H GLN 30 H GLN 30 -5.271 7.528 0.772
226 HA GLN 30 HA GLN 30 -3.933 9.963 1.253
227 HB2 GLN 30 1HB GLN 30 -6.016 9.297 2.396
228 HB3 GLN 30 2HB GLN 30 -5.133 8.041 3.255
229 HG2 GLN 30 1HG GLN 30 -4.016 9.552 4.592
230 HG3 GLN 30 2HG GLN 30 -4.254 10.884 3.462
231 HE21 GLN 30 1HE2 GLN 30 -4.908 10.349 6.396
232 HE22 GLN 30 2HE2 GLN 30 -6.554 10.851 6.543
233 H HIS 31 H HIS 31 -3.262 6.644 2.306
234 HA HIS 31 HA HIS 31 -1.097 7.172 3.979
235 HB2 HIS 31 1HB HIS 31 -1.800 4.986 4.153
236 HB3 HIS 31 2HB HIS 31 -2.011 4.803 2.414
237 HD1 HIS 31 HD1 HIS 31 0.815 5.054 4.940
238 HD2 HIS 31 HD2 HIS 31 0.003 3.454 1.193
239 HE1 HIS 31 HE1 HIS 31 2.851 3.712 4.327
240 H GLN 32 H GLN 32 -1.127 6.441 0.500
241 HA GLN 32 HA GLN 32 1.468 6.280 -0.160
242 HB2 GLN 32 1HB GLN 32 -0.844 7.590 -1.495
243 HB3 GLN 32 2HB GLN 32 0.755 7.900 -2.160
244 HG2 GLN 32 1HG GLN 32 1.033 5.350 -2.147
245 HG3 GLN 32 2HG GLN 32 -0.717 5.304 -1.942
246 HE21 GLN 32 1HE2 GLN 32 -1.646 4.852 -3.797
247 HE22 GLN 32 2HE2 GLN 32 -1.217 5.502 -5.340
248 H LYS 33 H LYS 33 -0.205 9.261 0.717
249 HA LYS 33 HA LYS 33 1.621 11.186 0.086
250 HB2 LYS 33 1HB LYS 33 -0.157 10.895 2.498
251 HB3 LYS 33 2HB LYS 33 0.853 12.317 2.268
252 HG2 LYS 33 1HG LYS 33 -0.262 12.619 0.036
253 HG3 LYS 33 2HG LYS 33 -1.392 11.351 0.518
254 HD2 LYS 33 1HD LYS 33 -0.948 13.622 2.388
255 HD3 LYS 33 2HD LYS 33 -1.909 13.915 0.936
256 HE2 LYS 33 1HE LYS 33 -3.183 11.776 1.639
257 HE3 LYS 33 2HE LYS 33 -2.447 12.049 3.218
258 HZ1 LYS 33 3HZ LYS 33 -3.438 14.268 3.234
259 HZ2 LYS 33 1HZ LYS 33 -4.619 13.063 3.111
260 HZ3 LYS 33 2HZ LYS 33 -4.180 13.959 1.745
261 H THR 34 H THR 34 1.609 9.260 3.082
262 HA THR 34 HA THR 34 3.739 10.268 4.421
263 HB THR 34 HB THR 34 2.340 8.295 5.125
264 HG1 THR 34 HG1 THR 34 4.270 7.245 6.138
265 HG21 THR 34 3HG2 THR 34 2.604 6.216 4.258
266 HG22 THR 34 1HG2 THR 34 4.326 6.443 3.956
267 HG23 THR 34 2HG2 THR 34 3.139 7.119 2.841
268 H HIS 35 H HIS 35 3.840 8.306 1.518
269 HA HIS 35 HA HIS 35 6.659 7.842 1.587
270 HB2 HIS 35 1HB HIS 35 4.660 7.636 -0.672
271 HB3 HIS 35 2HB HIS 35 6.338 7.111 -0.779
272 HD1 HIS 35 HD1 HIS 35 6.681 5.575 1.804
273 HD2 HIS 35 HD2 HIS 35 3.270 5.315 -0.555
274 HE1 HIS 35 HE1 HIS 35 5.623 3.371 2.392
275 H ALA 36 H ALA 36 4.560 10.261 0.139
276 HA ALA 36 HA ALA 36 6.564 11.483 -1.470
277 HB1 ALA 36 3HB ALA 36 4.165 12.961 -0.469
278 HB2 ALA 36 1HB ALA 36 4.966 13.057 -2.037
279 HB3 ALA 36 2HB ALA 36 3.983 11.649 -1.633
280 H ALA 37 H ALA 37 8.325 12.388 -0.626
281 HA ALA 37 HA ALA 37 7.987 14.307 1.569
282 HB1 ALA 37 3HB ALA 37 9.198 13.133 3.009
283 HB2 ALA 37 1HB ALA 37 9.226 11.799 1.855
284 HB3 ALA 37 2HB ALA 37 10.518 13.001 1.847
285 H LYS 38 H LYS 38 10.176 15.530 1.872
286 HA LYS 38 HA LYS 38 11.237 16.170 -0.803
287 HB2 LYS 38 1HB LYS 38 10.615 18.019 1.503
288 HB3 LYS 38 2HB LYS 38 11.552 18.504 0.096
289 HG2 LYS 38 1HG LYS 38 8.875 17.296 -0.350
290 HG3 LYS 38 2HG LYS 38 8.963 18.951 0.259
291 HD2 LYS 38 1HD LYS 38 10.234 19.656 -1.636
292 HD3 LYS 38 2HD LYS 38 10.441 17.992 -2.187
293 HE2 LYS 38 1HE LYS 38 7.900 17.908 -2.355
294 HE3 LYS 38 2HE LYS 38 7.941 19.661 -2.175
295 HZ1 LYS 38 3HZ LYS 38 9.588 18.348 -4.234
296 HZ2 LYS 38 1HZ LYS 38 8.992 19.931 -4.193
297 HZ3 LYS 38 2HZ LYS 38 7.947 18.642 -4.523
298 H SER 39 H SER 39 13.398 16.227 -1.046
299 HA SER 39 HA SER 39 15.607 15.926 -0.595
300 HB2 SER 39 1HB SER 39 15.344 18.088 0.561
301 HB3 SER 39 2HB SER 39 14.893 17.239 2.040
302 HG SER 39 HG SER 39 17.377 17.591 0.881
303 H GLY 40 H GLY 40 13.992 13.710 -0.160
304 HA2 GLY 40 1HA GLY 40 15.691 12.091 1.423
305 HA3 GLY 40 2HA GLY 40 14.220 12.449 2.315
306 HA PRO 41 HA PRO 41 12.827 9.991 -1.613
307 HB2 PRO 41 1HB PRO 41 14.800 8.910 -3.132
308 HB3 PRO 41 2HB PRO 41 14.138 10.523 -3.423
309 HG2 PRO 41 1HG PRO 41 16.651 9.734 -2.000
310 HG3 PRO 41 2HG PRO 41 16.388 11.049 -3.161
311 HD2 PRO 41 1HD PRO 41 16.482 11.464 -0.487
312 HD3 PRO 41 2HD PRO 41 15.468 12.439 -1.570
313 H SER 42 H SER 42 12.049 8.191 -0.721
314 HA SER 42 HA SER 42 13.956 6.184 0.292
315 HB2 SER 42 1HB SER 42 12.308 7.383 1.913
316 HB3 SER 42 2HB SER 42 11.092 6.328 1.192
317 HG SER 42 HG SER 42 13.257 5.699 2.832
318 H SER 43 H SER 43 13.312 6.230 -2.405
319 HA SER 43 HA SER 43 11.130 4.551 -3.073
320 HB2 SER 43 1HB SER 43 12.609 6.156 -4.557
321 HB3 SER 43 2HB SER 43 13.563 4.695 -4.810
322 HG SER 43 HG SER 43 11.573 3.679 -5.476
323 H GLY 44 H GLY 44 11.290 2.776 -1.631
324 HA2 GLY 44 1HA GLY 44 13.185 0.735 -2.571
325 HA3 GLY 44 2HA GLY 44 13.084 1.073 -0.850
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 -3.961 -28.198 -25.574
2 HA2 GLY 1 1HA GLY 1 -2.048 -29.346 -23.679
3 HA3 GLY 1 2HA GLY 1 -1.403 -28.650 -25.158
4 H SER 2 H SER 2 -2.712 -28.021 -22.036
5 HA SER 2 HA SER 2 -2.134 -25.161 -22.410
6 HB2 SER 2 1HB SER 2 -4.531 -26.373 -21.022
7 HB3 SER 2 2HB SER 2 -4.047 -24.688 -20.827
8 HG SER 2 HG SER 2 -4.390 -25.742 -23.407
9 H SER 3 H SER 3 -1.588 -24.024 -20.435
10 HA SER 3 HA SER 3 -0.319 -25.815 -18.475
11 HB2 SER 3 1HB SER 3 0.367 -22.941 -19.137
12 HB3 SER 3 2HB SER 3 1.237 -23.983 -18.012
13 HG SER 3 HG SER 3 1.065 -24.165 -20.822
14 H GLY 4 H GLY 4 -0.306 -25.161 -16.236
15 HA2 GLY 4 1HA GLY 4 -2.866 -24.058 -15.448
16 HA3 GLY 4 2HA GLY 4 -1.665 -24.776 -14.385
17 H SER 5 H SER 5 -3.241 -22.215 -14.283
18 HA SER 5 HA SER 5 -0.957 -20.367 -14.034
19 HB2 SER 5 1HB SER 5 -2.649 -19.716 -15.757
20 HB3 SER 5 2HB SER 5 -3.857 -19.618 -14.475
21 HG SER 5 HG SER 5 -3.148 -17.685 -14.121
22 H SER 6 H SER 6 -0.791 -19.104 -12.190
23 HA SER 6 HA SER 6 -2.172 -20.177 -9.864
24 HB2 SER 6 1HB SER 6 0.103 -18.191 -10.080
25 HB3 SER 6 2HB SER 6 -0.538 -18.835 -8.569
26 HG SER 6 HG SER 6 -0.051 -20.961 -9.823
27 H GLY 7 H GLY 7 -3.013 -18.703 -8.198
28 HA2 GLY 7 1HA GLY 7 -3.745 -16.025 -9.012
29 HA3 GLY 7 2HA GLY 7 -5.091 -17.154 -8.958
30 H HIS 8 H HIS 8 -3.275 -14.962 -7.202
31 HA HIS 8 HA HIS 8 -3.989 -16.157 -4.621
32 HB2 HIS 8 1HB HIS 8 -2.340 -13.667 -5.018
33 HB3 HIS 8 2HB HIS 8 -2.392 -14.729 -3.614
34 HD1 HIS 8 HD1 HIS 8 0.264 -13.993 -5.049
35 HD2 HIS 8 HD2 HIS 8 -1.946 -17.438 -5.765
36 HE1 HIS 8 HE1 HIS 8 1.896 -15.655 -5.997
37 H THR 9 H THR 9 -5.429 -15.240 -3.247
38 HA THR 9 HA THR 9 -7.361 -13.455 -4.290
39 HB THR 9 HB THR 9 -6.910 -14.237 -1.403
40 HG1 THR 9 HG1 THR 9 -8.841 -15.634 -2.147
41 HG21 THR 9 3HG2 THR 9 -8.543 -12.264 -2.351
42 HG22 THR 9 1HG2 THR 9 -8.817 -13.169 -0.864
43 HG23 THR 9 2HG2 THR 9 -9.624 -13.657 -2.354
44 H ARG 10 H ARG 10 -6.168 -11.602 -4.933
45 HA ARG 10 HA ARG 10 -4.979 -9.996 -2.797
46 HB2 ARG 10 1HB ARG 10 -4.107 -8.587 -4.609
47 HB3 ARG 10 2HB ARG 10 -3.657 -10.273 -4.831
48 HG2 ARG 10 1HG ARG 10 -5.280 -10.562 -6.548
49 HG3 ARG 10 2HG ARG 10 -5.994 -8.982 -6.215
50 HD2 ARG 10 1HD ARG 10 -3.805 -7.952 -6.846
51 HD3 ARG 10 2HD ARG 10 -3.262 -9.552 -7.350
52 HE ARG 10 HE ARG 10 -5.516 -9.274 -8.763
53 HH11 ARG 10 1HH1 ARG 10 -2.822 -7.125 -8.268
54 HH12 ARG 10 2HH1 ARG 10 -2.981 -6.360 -9.814
55 HH21 ARG 10 1HH2 ARG 10 -5.735 -8.275 -10.801
56 HH22 ARG 10 2HH2 ARG 10 -4.638 -7.014 -11.254
57 H LYS 11 H LYS 11 -7.681 -10.205 -2.519
58 HA LYS 11 HA LYS 11 -9.135 -8.141 -3.825
59 HB2 LYS 11 1HB LYS 11 -10.079 -10.204 -2.665
60 HB3 LYS 11 2HB LYS 11 -9.810 -9.356 -1.148
61 HG2 LYS 11 1HG LYS 11 -11.205 -7.467 -2.255
62 HG3 LYS 11 2HG LYS 11 -11.752 -8.753 -3.333
63 HD2 LYS 11 1HD LYS 11 -11.857 -8.983 -0.333
64 HD3 LYS 11 2HD LYS 11 -13.184 -8.317 -1.288
65 HE2 LYS 11 1HE LYS 11 -13.452 -10.381 -2.471
66 HE3 LYS 11 2HE LYS 11 -11.990 -11.047 -1.744
67 HZ1 LYS 11 3HZ LYS 11 -14.660 -10.781 -0.626
68 HZ2 LYS 11 1HZ LYS 11 -13.381 -10.468 0.436
69 HZ3 LYS 11 2HZ LYS 11 -13.482 -11.963 -0.350
70 H ARG 12 H ARG 12 -6.649 -7.908 -1.703
71 HA ARG 12 HA ARG 12 -7.698 -5.473 -0.428
72 HB2 ARG 12 1HB ARG 12 -5.358 -7.229 0.332
73 HB3 ARG 12 2HB ARG 12 -5.778 -5.726 1.143
74 HG2 ARG 12 1HG ARG 12 -7.836 -6.634 1.926
75 HG3 ARG 12 2HG ARG 12 -7.641 -8.076 0.928
76 HD2 ARG 12 1HD ARG 12 -5.529 -8.539 2.235
77 HD3 ARG 12 2HD ARG 12 -6.031 -7.255 3.334
78 HE ARG 12 HE ARG 12 -7.135 -9.907 3.140
79 HH11 ARG 12 1HH1 ARG 12 -7.692 -6.626 4.161
80 HH12 ARG 12 2HH1 ARG 12 -8.906 -7.055 5.320
81 HH21 ARG 12 1HH2 ARG 12 -8.731 -10.485 4.663
82 HH22 ARG 12 2HH2 ARG 12 -9.495 -9.251 5.606
83 H TYR 13 H TYR 13 -6.473 -3.563 -0.456
84 HA TYR 13 HA TYR 13 -4.949 -3.186 -2.863
85 HB2 TYR 13 1HB TYR 13 -5.486 -1.238 -0.612
86 HB3 TYR 13 2HB TYR 13 -4.883 -0.834 -2.215
87 HD1 TYR 13 HD2 TYR 13 -7.823 -2.080 -0.352
88 HD2 TYR 13 HD1 TYR 13 -6.366 -0.564 -4.051
89 HE1 TYR 13 HE2 TYR 13 -10.135 -1.806 -1.144
90 HE2 TYR 13 HE1 TYR 13 -8.674 -0.286 -4.853
91 HH TYR 13 HH TYR 13 -10.828 -0.504 -4.378
92 H GLU 14 H GLU 14 -2.813 -3.261 -3.090
93 HA GLU 14 HA GLU 14 -1.157 -3.289 -0.653
94 HB2 GLU 14 1HB GLU 14 -1.058 -4.876 -3.168
95 HB3 GLU 14 2HB GLU 14 0.474 -4.452 -2.417
96 HG2 GLU 14 1HG GLU 14 -1.711 -5.707 -0.810
97 HG3 GLU 14 2HG GLU 14 -0.647 -6.691 -1.814
98 H CYS 15 H CYS 15 0.886 -2.257 -0.718
99 HA CYS 15 HA CYS 15 0.971 -0.023 -2.614
100 HB2 CYS 15 1HB CYS 15 1.020 0.345 -0.092
101 HB3 CYS 15 2HB CYS 15 2.643 -0.338 -0.123
102 H SER 16 H SER 16 2.538 0.188 -4.094
103 HA SER 16 HA SER 16 4.429 -1.982 -4.408
104 HB2 SER 16 1HB SER 16 4.000 0.471 -6.131
105 HB3 SER 16 2HB SER 16 4.945 -0.953 -6.565
106 HG SER 16 HG SER 16 2.204 -0.584 -6.523
107 H LYS 17 H LYS 17 4.718 -0.058 -2.180
108 HA LYS 17 HA LYS 17 7.485 0.750 -2.750
109 HB2 LYS 17 1HB LYS 17 5.329 2.406 -1.444
110 HB3 LYS 17 2HB LYS 17 7.040 2.757 -1.237
111 HG2 LYS 17 1HG LYS 17 7.045 2.709 -3.859
112 HG3 LYS 17 2HG LYS 17 5.323 3.036 -3.650
113 HD2 LYS 17 1HD LYS 17 6.179 5.172 -3.744
114 HD3 LYS 17 2HD LYS 17 6.176 4.881 -2.003
115 HE2 LYS 17 1HE LYS 17 8.511 4.390 -2.008
116 HE3 LYS 17 2HE LYS 17 8.563 4.378 -3.770
117 HZ1 LYS 17 3HZ LYS 17 9.254 6.477 -3.505
118 HZ2 LYS 17 1HZ LYS 17 8.633 6.612 -1.937
119 HZ3 LYS 17 2HZ LYS 17 7.617 6.834 -3.270
120 H CYS 18 H CYS 18 5.046 -0.151 -0.383
121 HA CYS 18 HA CYS 18 7.197 -1.130 1.361
122 HB2 CYS 18 1HB CYS 18 5.960 -0.375 3.345
123 HB3 CYS 18 2HB CYS 18 6.401 0.981 2.313
124 H GLN 19 H GLN 19 4.627 -1.904 -0.469
125 HA GLN 19 HA GLN 19 3.197 -3.669 -0.610
126 HB2 GLN 19 1HB GLN 19 5.408 -4.778 1.096
127 HB3 GLN 19 2HB GLN 19 4.009 -5.759 0.681
128 HG2 GLN 19 1HG GLN 19 5.981 -6.078 -0.800
129 HG3 GLN 19 2HG GLN 19 4.497 -5.625 -1.638
130 HE21 GLN 19 1HE2 GLN 19 7.490 -4.305 -0.312
131 HE22 GLN 19 2HE2 GLN 19 7.645 -3.023 -1.460
132 H ALA 20 H ALA 20 2.373 -1.726 1.165
133 HA ALA 20 HA ALA 20 1.523 -3.007 3.623
134 HB1 ALA 20 3HB ALA 20 1.146 -0.244 2.500
135 HB2 ALA 20 1HB ALA 20 0.357 -0.783 3.983
136 HB3 ALA 20 2HB ALA 20 2.118 -0.743 3.885
137 H THR 21 H THR 21 -0.442 -3.839 4.036
138 HA THR 21 HA THR 21 -2.342 -3.967 1.815
139 HB THR 21 HB THR 21 -3.465 -5.728 3.213
140 HG1 THR 21 HG1 THR 21 -2.512 -6.389 5.076
141 HG21 THR 21 3HG2 THR 21 -1.289 -5.921 1.568
142 HG22 THR 21 1HG2 THR 21 -2.195 -7.290 2.211
143 HG23 THR 21 2HG2 THR 21 -0.724 -6.747 3.020
144 H PHE 22 H PHE 22 -4.401 -3.199 1.916
145 HA PHE 22 HA PHE 22 -5.257 -1.911 4.417
146 HB2 PHE 22 1HB PHE 22 -5.394 -0.745 1.631
147 HB3 PHE 22 2HB PHE 22 -6.246 -0.075 3.018
148 HD1 PHE 22 HD1 PHE 22 -2.961 -0.636 1.491
149 HD2 PHE 22 HD2 PHE 22 -5.086 1.151 4.717
150 HE1 PHE 22 HE1 PHE 22 -0.963 0.675 2.077
151 HE2 PHE 22 HE2 PHE 22 -3.092 2.465 5.307
152 HZ PHE 22 HZ PHE 22 -1.027 2.229 3.986
153 H ASN 23 H ASN 23 -7.656 -1.327 4.299
154 HA ASN 23 HA ASN 23 -9.076 -3.689 3.338
155 HB2 ASN 23 1HB ASN 23 -9.964 -1.458 5.181
156 HB3 ASN 23 2HB ASN 23 -10.927 -2.874 4.770
157 HD21 ASN 23 1HD2 ASN 23 -8.045 -1.750 6.400
158 HD22 ASN 23 2HD2 ASN 23 -7.853 -3.129 7.422
159 H LEU 24 H LEU 24 -9.471 -0.148 3.281
160 HA LEU 24 HA LEU 24 -11.233 -0.448 0.948
161 HB2 LEU 24 1HB LEU 24 -10.833 1.947 2.733
162 HB3 LEU 24 2HB LEU 24 -12.007 1.805 1.426
163 HG LEU 24 HG LEU 24 -12.818 -0.253 2.905
164 HD11 LEU 24 1HD1 LEU 24 -11.874 1.662 5.016
165 HD12 LEU 24 2HD1 LEU 24 -10.944 0.240 4.548
166 HD13 LEU 24 3HD1 LEU 24 -12.564 0.052 5.219
167 HD21 LEU 24 3HD2 LEU 24 -14.645 1.007 3.135
168 HD22 LEU 24 1HD2 LEU 24 -13.731 2.278 2.322
169 HD23 LEU 24 2HD2 LEU 24 -13.789 2.223 4.084
170 H ARG 25 H ARG 25 -11.079 1.818 -0.368
171 HA ARG 25 HA ARG 25 -8.392 1.778 -1.467
172 HB2 ARG 25 1HB ARG 25 -10.513 1.722 -2.865
173 HB3 ARG 25 2HB ARG 25 -10.735 3.412 -2.435
174 HG2 ARG 25 1HG ARG 25 -8.544 3.924 -3.449
175 HG3 ARG 25 2HG ARG 25 -8.414 2.236 -3.950
176 HD2 ARG 25 1HD ARG 25 -9.249 3.279 -5.848
177 HD3 ARG 25 2HD ARG 25 -10.700 2.635 -5.080
178 HE ARG 25 HE ARG 25 -11.401 4.787 -4.641
179 HH11 ARG 25 1HH1 ARG 25 -8.114 4.810 -5.788
180 HH12 ARG 25 2HH1 ARG 25 -8.066 6.527 -6.012
181 HH21 ARG 25 1HH2 ARG 25 -11.351 7.049 -4.931
182 HH22 ARG 25 2HH2 ARG 25 -9.908 7.800 -5.523
183 H LYS 26 H LYS 26 -10.654 4.439 -0.737
184 HA LYS 26 HA LYS 26 -9.023 6.573 -0.765
185 HB2 LYS 26 1HB LYS 26 -10.467 7.668 0.781
186 HB3 LYS 26 2HB LYS 26 -11.462 6.538 -0.128
187 HG2 LYS 26 1HG LYS 26 -10.301 5.617 2.444
188 HG3 LYS 26 2HG LYS 26 -11.644 6.761 2.492
189 HD2 LYS 26 1HD LYS 26 -11.809 4.316 0.775
190 HD3 LYS 26 2HD LYS 26 -12.133 4.208 2.507
191 HE2 LYS 26 1HE LYS 26 -14.006 5.562 2.369
192 HE3 LYS 26 2HE LYS 26 -13.480 6.310 0.863
193 HZ1 LYS 26 3HZ LYS 26 -15.250 4.863 0.335
194 HZ2 LYS 26 1HZ LYS 26 -14.595 3.590 1.236
195 HZ3 LYS 26 2HZ LYS 26 -13.844 4.086 -0.195
196 H HIS 27 H HIS 27 -8.928 3.997 1.561
197 HA HIS 27 HA HIS 27 -7.432 5.280 3.578
198 HB2 HIS 27 1HB HIS 27 -8.024 2.459 2.834
199 HB3 HIS 27 2HB HIS 27 -6.668 2.744 3.921
200 HD1 HIS 27 HD1 HIS 27 -10.332 3.766 3.707
201 HD2 HIS 27 HD2 HIS 27 -7.420 2.811 6.512
202 HE1 HIS 27 HE1 HIS 27 -11.501 3.817 5.933
203 H LEU 28 H LEU 28 -6.430 3.287 0.812
204 HA LEU 28 HA LEU 28 -3.664 3.399 1.337
205 HB2 LEU 28 1HB LEU 28 -4.381 1.717 -0.125
206 HB3 LEU 28 2HB LEU 28 -5.288 2.852 -1.123
207 HG LEU 28 HG LEU 28 -3.128 3.793 -1.916
208 HD11 LEU 28 1HD1 LEU 28 -1.548 1.487 -1.142
209 HD12 LEU 28 2HD1 LEU 28 -2.061 2.447 0.245
210 HD13 LEU 28 3HD1 LEU 28 -1.157 3.205 -1.066
211 HD21 LEU 28 3HD2 LEU 28 -2.521 1.278 -2.891
212 HD22 LEU 28 1HD2 LEU 28 -3.665 2.424 -3.590
213 HD23 LEU 28 2HD2 LEU 28 -4.235 1.171 -2.486
214 H ILE 29 H ILE 29 -5.815 5.473 -0.534
215 HA ILE 29 HA ILE 29 -4.020 7.042 -1.903
216 HB ILE 29 HB ILE 29 -6.514 8.040 -0.523
217 HG12 ILE 29 1HG1 ILE 29 -6.934 6.072 -1.955
218 HG13 ILE 29 2HG1 ILE 29 -7.668 7.531 -2.612
219 HG21 ILE 29 1HG2 ILE 29 -5.803 10.015 -1.286
220 HG22 ILE 29 2HG2 ILE 29 -4.571 9.276 -2.307
221 HG23 ILE 29 3HG2 ILE 29 -6.232 9.408 -2.886
222 HD11 ILE 29 3HD1 ILE 29 -5.860 7.743 -4.211
223 HD12 ILE 29 1HD1 ILE 29 -5.072 6.320 -3.530
224 HD13 ILE 29 2HD1 ILE 29 -6.629 6.162 -4.343
225 H GLN 30 H GLN 30 -5.242 7.618 1.395
226 HA GLN 30 HA GLN 30 -3.680 9.891 1.912
227 HB2 GLN 30 1HB GLN 30 -5.560 9.426 3.315
228 HB3 GLN 30 2HB GLN 30 -4.917 7.851 3.759
229 HG2 GLN 30 1HG GLN 30 -4.380 9.022 5.625
230 HG3 GLN 30 2HG GLN 30 -2.922 9.302 4.675
231 HE21 GLN 30 1HE2 GLN 30 -2.417 11.331 4.047
232 HE22 GLN 30 2HE2 GLN 30 -3.343 12.732 4.450
233 H HIS 31 H HIS 31 -3.107 6.465 2.652
234 HA HIS 31 HA HIS 31 -0.743 6.684 4.064
235 HB2 HIS 31 1HB HIS 31 -1.558 4.524 4.024
236 HB3 HIS 31 2HB HIS 31 -1.912 4.576 2.300
237 HD1 HIS 31 HD1 HIS 31 0.845 3.880 4.727
238 HD2 HIS 31 HD2 HIS 31 0.202 3.838 0.622
239 HE1 HIS 31 HE1 HIS 31 2.829 2.684 3.748
240 H GLN 32 H GLN 32 -1.148 6.368 0.542
241 HA GLN 32 HA GLN 32 1.447 6.290 -0.290
242 HB2 GLN 32 1HB GLN 32 -0.836 7.838 -1.525
243 HB3 GLN 32 2HB GLN 32 0.688 7.504 -2.337
244 HG2 GLN 32 1HG GLN 32 -1.106 5.343 -1.275
245 HG3 GLN 32 2HG GLN 32 -1.234 5.988 -2.910
246 HE21 GLN 32 1HE2 GLN 32 -0.833 3.603 -3.263
247 HE22 GLN 32 2HE2 GLN 32 0.813 3.117 -3.454
248 H LYS 33 H LYS 33 -0.394 9.183 0.605
249 HA LYS 33 HA LYS 33 1.198 11.238 -0.067
250 HB2 LYS 33 1HB LYS 33 -0.031 10.846 2.668
251 HB3 LYS 33 2HB LYS 33 0.508 12.384 2.008
252 HG2 LYS 33 1HG LYS 33 -1.157 11.707 0.062
253 HG3 LYS 33 2HG LYS 33 -1.898 10.779 1.367
254 HD2 LYS 33 1HD LYS 33 -2.011 12.831 2.729
255 HD3 LYS 33 2HD LYS 33 -1.329 13.743 1.380
256 HE2 LYS 33 1HE LYS 33 -3.626 14.098 1.191
257 HE3 LYS 33 2HE LYS 33 -3.300 12.821 0.021
258 HZ1 LYS 33 3HZ LYS 33 -3.934 11.822 2.636
259 HZ2 LYS 33 1HZ LYS 33 -4.578 11.395 1.131
260 HZ3 LYS 33 2HZ LYS 33 -5.189 12.735 1.963
261 H THR 34 H THR 34 1.702 9.272 2.862
262 HA THR 34 HA THR 34 3.927 10.455 3.909
263 HB THR 34 HB THR 34 4.569 8.294 4.844
264 HG1 THR 34 HG1 THR 34 3.353 6.420 4.150
265 HG21 THR 34 3HG2 THR 34 1.794 7.741 5.151
266 HG22 THR 34 1HG2 THR 34 2.002 9.490 5.064
267 HG23 THR 34 2HG2 THR 34 2.882 8.556 6.274
268 H HIS 35 H HIS 35 3.814 8.158 1.219
269 HA HIS 35 HA HIS 35 6.628 7.962 0.895
270 HB2 HIS 35 1HB HIS 35 4.315 7.346 -0.942
271 HB3 HIS 35 2HB HIS 35 5.993 7.073 -1.401
272 HD1 HIS 35 HD1 HIS 35 7.328 5.376 0.264
273 HD2 HIS 35 HD2 HIS 35 3.177 5.281 0.404
274 HE1 HIS 35 HE1 HIS 35 6.743 3.193 1.367
275 H ALA 36 H ALA 36 4.164 10.092 -0.417
276 HA ALA 36 HA ALA 36 4.343 12.132 -1.429
277 HB1 ALA 36 3HB ALA 36 7.146 12.501 -1.718
278 HB2 ALA 36 1HB ALA 36 6.032 13.317 -0.620
279 HB3 ALA 36 2HB ALA 36 6.836 11.830 -0.117
280 H ALA 37 H ALA 37 4.163 9.731 -2.918
281 HA ALA 37 HA ALA 37 5.981 9.706 -5.102
282 HB1 ALA 37 3HB ALA 37 4.171 7.944 -4.181
283 HB2 ALA 37 1HB ALA 37 3.273 8.624 -5.539
284 HB3 ALA 37 2HB ALA 37 4.852 7.884 -5.806
285 H LYS 38 H LYS 38 5.192 9.981 -7.403
286 HA LYS 38 HA LYS 38 3.105 11.899 -7.870
287 HB2 LYS 38 1HB LYS 38 4.494 13.680 -8.749
288 HB3 LYS 38 2HB LYS 38 4.941 13.357 -7.079
289 HG2 LYS 38 1HG LYS 38 6.440 12.040 -9.298
290 HG3 LYS 38 2HG LYS 38 6.783 13.717 -8.868
291 HD2 LYS 38 1HD LYS 38 7.420 13.122 -6.670
292 HD3 LYS 38 2HD LYS 38 6.748 11.499 -6.835
293 HE2 LYS 38 1HE LYS 38 9.097 11.274 -7.021
294 HE3 LYS 38 2HE LYS 38 8.451 11.106 -8.652
295 HZ1 LYS 38 3HZ LYS 38 10.484 12.603 -8.276
296 HZ2 LYS 38 1HZ LYS 38 9.374 13.729 -7.674
297 HZ3 LYS 38 2HZ LYS 38 9.237 13.176 -9.266
298 H SER 39 H SER 39 2.481 11.983 -10.010
299 HA SER 39 HA SER 39 3.359 9.807 -11.654
300 HB2 SER 39 1HB SER 39 0.982 10.828 -11.464
301 HB3 SER 39 2HB SER 39 1.573 12.032 -12.610
302 HG SER 39 HG SER 39 1.381 9.229 -12.968
303 H GLY 40 H GLY 40 3.633 13.339 -11.797
304 HA2 GLY 40 1HA GLY 40 5.915 13.015 -13.608
305 HA3 GLY 40 2HA GLY 40 4.589 14.044 -14.128
306 HA PRO 41 HA PRO 41 7.686 16.663 -11.873
307 HB2 PRO 41 1HB PRO 41 7.742 18.629 -13.745
308 HB3 PRO 41 2HB PRO 41 8.776 17.197 -13.823
309 HG2 PRO 41 1HG PRO 41 6.209 17.761 -15.257
310 HG3 PRO 41 2HG PRO 41 7.703 17.036 -15.880
311 HD2 PRO 41 1HD PRO 41 5.544 15.555 -15.187
312 HD3 PRO 41 2HD PRO 41 7.208 14.960 -15.010
313 H SER 42 H SER 42 7.436 19.171 -11.551
314 HA SER 42 HA SER 42 4.753 19.570 -10.545
315 HB2 SER 42 1HB SER 42 7.045 20.219 -9.430
316 HB3 SER 42 2HB SER 42 6.880 21.677 -10.409
317 HG SER 42 HG SER 42 5.362 22.351 -9.121
318 H SER 43 H SER 43 4.560 19.441 -13.228
319 HA SER 43 HA SER 43 3.816 22.186 -13.922
320 HB2 SER 43 1HB SER 43 5.747 20.452 -15.384
321 HB3 SER 43 2HB SER 43 4.628 21.415 -16.349
322 HG SER 43 HG SER 43 6.834 22.272 -15.429
323 H GLY 44 H GLY 44 2.509 22.133 -16.069
324 HA2 GLY 44 1HA GLY 44 0.209 20.574 -15.626
325 HA3 GLY 44 2HA GLY 44 0.555 21.490 -17.086
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 -4.859 -29.896 -6.972
2 HA2 GLY 1 1HA GLY 1 -2.483 -29.063 -7.700
3 HA3 GLY 1 2HA GLY 1 -3.450 -28.094 -8.802
4 H SER 2 H SER 2 -5.427 -27.055 -7.497
5 HA SER 2 HA SER 2 -4.540 -26.065 -4.902
6 HB2 SER 2 1HB SER 2 -4.926 -23.696 -5.619
7 HB3 SER 2 2HB SER 2 -3.538 -24.455 -6.399
8 HG SER 2 HG SER 2 -5.995 -24.658 -7.692
9 H SER 3 H SER 3 -6.232 -24.711 -3.852
10 HA SER 3 HA SER 3 -8.748 -26.017 -4.008
11 HB2 SER 3 1HB SER 3 -9.455 -24.386 -2.287
12 HB3 SER 3 2HB SER 3 -7.906 -25.130 -1.890
13 HG SER 3 HG SER 3 -7.414 -23.072 -1.627
14 H GLY 4 H GLY 4 -9.974 -25.742 -5.776
15 HA2 GLY 4 1HA GLY 4 -10.106 -23.209 -7.156
16 HA3 GLY 4 2HA GLY 4 -10.981 -24.675 -7.574
17 H SER 5 H SER 5 -12.663 -25.275 -5.769
18 HA SER 5 HA SER 5 -14.780 -23.599 -5.884
19 HB2 SER 5 1HB SER 5 -14.043 -25.380 -3.549
20 HB3 SER 5 2HB SER 5 -15.643 -24.689 -3.819
21 HG SER 5 HG SER 5 -15.926 -26.471 -4.912
22 H SER 6 H SER 6 -12.257 -23.546 -3.398
23 HA SER 6 HA SER 6 -13.091 -21.826 -1.542
24 HB2 SER 6 1HB SER 6 -10.789 -22.651 -1.613
25 HB3 SER 6 2HB SER 6 -10.437 -21.599 -2.984
26 HG SER 6 HG SER 6 -11.311 -19.934 -1.301
27 H GLY 7 H GLY 7 -11.769 -20.705 -4.663
28 HA2 GLY 7 1HA GLY 7 -13.076 -18.983 -5.850
29 HA3 GLY 7 2HA GLY 7 -13.324 -18.220 -4.286
30 H HIS 8 H HIS 8 -10.895 -18.126 -3.164
31 HA HIS 8 HA HIS 8 -8.907 -17.016 -3.131
32 HB2 HIS 8 1HB HIS 8 -8.366 -18.588 -5.018
33 HB3 HIS 8 2HB HIS 8 -8.882 -17.329 -6.137
34 HD1 HIS 8 HD1 HIS 8 -7.112 -15.761 -6.881
35 HD2 HIS 8 HD2 HIS 8 -6.095 -17.690 -3.345
36 HE1 HIS 8 HE1 HIS 8 -4.754 -15.046 -6.380
37 H THR 9 H THR 9 -11.224 -15.515 -3.096
38 HA THR 9 HA THR 9 -10.534 -13.166 -4.737
39 HB THR 9 HB THR 9 -12.877 -12.420 -4.387
40 HG1 THR 9 HG1 THR 9 -12.971 -14.069 -2.477
41 HG21 THR 9 3HG2 THR 9 -12.194 -13.700 -6.404
42 HG22 THR 9 1HG2 THR 9 -13.887 -13.939 -5.972
43 HG23 THR 9 2HG2 THR 9 -12.695 -15.183 -5.592
44 H ARG 10 H ARG 10 -9.143 -13.680 -2.357
45 HA ARG 10 HA ARG 10 -10.292 -11.775 -0.440
46 HB2 ARG 10 1HB ARG 10 -8.200 -13.926 -0.174
47 HB3 ARG 10 2HB ARG 10 -8.416 -12.684 1.052
48 HG2 ARG 10 1HG ARG 10 -10.431 -13.515 1.742
49 HG3 ARG 10 2HG ARG 10 -10.793 -14.238 0.173
50 HD2 ARG 10 1HD ARG 10 -10.351 -16.033 1.651
51 HD3 ARG 10 2HD ARG 10 -8.925 -15.869 0.627
52 HE ARG 10 HE ARG 10 -8.238 -14.394 2.747
53 HH11 ARG 10 1HH1 ARG 10 -9.623 -17.579 2.509
54 HH12 ARG 10 2HH1 ARG 10 -8.886 -18.151 3.969
55 HH21 ARG 10 1HH2 ARG 10 -7.262 -15.135 4.670
56 HH22 ARG 10 2HH2 ARG 10 -7.543 -16.759 5.198
57 H LYS 11 H LYS 11 -9.261 -10.683 -2.766
58 HA LYS 11 HA LYS 11 -6.541 -9.887 -2.486
59 HB2 LYS 11 1HB LYS 11 -8.768 -8.643 -4.110
60 HB3 LYS 11 2HB LYS 11 -7.056 -8.277 -4.281
61 HG2 LYS 11 1HG LYS 11 -8.013 -11.089 -4.582
62 HG3 LYS 11 2HG LYS 11 -8.194 -9.941 -5.911
63 HD2 LYS 11 1HD LYS 11 -5.558 -10.320 -4.528
64 HD3 LYS 11 2HD LYS 11 -6.070 -11.394 -5.831
65 HE2 LYS 11 1HE LYS 11 -6.030 -8.400 -6.117
66 HE3 LYS 11 2HE LYS 11 -4.629 -9.406 -6.484
67 HZ1 LYS 11 3HZ LYS 11 -6.174 -10.669 -8.011
68 HZ2 LYS 11 1HZ LYS 11 -5.745 -9.109 -8.505
69 HZ3 LYS 11 2HZ LYS 11 -7.267 -9.392 -7.824
70 H ARG 12 H ARG 12 -5.975 -7.481 -2.425
71 HA ARG 12 HA ARG 12 -7.644 -5.661 -1.052
72 HB2 ARG 12 1HB ARG 12 -6.611 -5.620 1.125
73 HB3 ARG 12 2HB ARG 12 -7.194 -7.248 0.809
74 HG2 ARG 12 1HG ARG 12 -4.775 -7.690 -0.004
75 HG3 ARG 12 2HG ARG 12 -4.389 -6.234 0.915
76 HD2 ARG 12 1HD ARG 12 -6.022 -8.365 2.207
77 HD3 ARG 12 2HD ARG 12 -4.286 -8.616 2.027
78 HE ARG 12 HE ARG 12 -3.903 -6.974 3.600
79 HH11 ARG 12 1HH1 ARG 12 -7.265 -7.008 2.697
80 HH12 ARG 12 2HH1 ARG 12 -7.756 -5.954 3.983
81 HH21 ARG 12 1HH2 ARG 12 -4.536 -5.587 5.297
82 HH22 ARG 12 2HH2 ARG 12 -6.203 -5.146 5.460
83 H TYR 13 H TYR 13 -6.901 -3.660 -1.405
84 HA TYR 13 HA TYR 13 -4.922 -2.977 -3.092
85 HB2 TYR 13 1HB TYR 13 -5.674 -1.404 -0.619
86 HB3 TYR 13 2HB TYR 13 -4.862 -0.754 -2.039
87 HD1 TYR 13 HD2 TYR 13 -8.038 -2.140 -0.774
88 HD2 TYR 13 HD1 TYR 13 -6.085 -0.183 -4.008
89 HE1 TYR 13 HE2 TYR 13 -10.223 -1.658 -1.794
90 HE2 TYR 13 HE1 TYR 13 -8.265 0.305 -5.036
91 HH TYR 13 HH TYR 13 -10.510 -0.377 -5.006
92 H GLU 14 H GLU 14 -2.802 -3.260 -3.168
93 HA GLU 14 HA GLU 14 -1.314 -3.435 -0.630
94 HB2 GLU 14 1HB GLU 14 -1.202 -5.089 -3.099
95 HB3 GLU 14 2HB GLU 14 0.317 -4.767 -2.275
96 HG2 GLU 14 1HG GLU 14 -0.552 -5.731 -0.232
97 HG3 GLU 14 2HG GLU 14 -2.118 -5.992 -0.999
98 H CYS 15 H CYS 15 0.074 -1.836 -0.325
99 HA CYS 15 HA CYS 15 0.650 0.106 -2.298
100 HB2 CYS 15 1HB CYS 15 0.643 0.446 0.213
101 HB3 CYS 15 2HB CYS 15 2.209 -0.358 0.246
102 H SER 16 H SER 16 2.034 -0.012 -3.925
103 HA SER 16 HA SER 16 4.029 -2.112 -4.000
104 HB2 SER 16 1HB SER 16 3.173 -0.034 -6.022
105 HB3 SER 16 2HB SER 16 4.455 -1.208 -6.318
106 HG SER 16 HG SER 16 1.695 -1.598 -6.074
107 H LYS 17 H LYS 17 4.389 0.004 -2.059
108 HA LYS 17 HA LYS 17 6.976 1.043 -3.004
109 HB2 LYS 17 1HB LYS 17 4.931 2.484 -1.308
110 HB3 LYS 17 2HB LYS 17 6.572 3.057 -1.580
111 HG2 LYS 17 1HG LYS 17 6.103 3.162 -3.998
112 HG3 LYS 17 2HG LYS 17 4.439 2.673 -3.671
113 HD2 LYS 17 1HD LYS 17 4.185 4.674 -2.228
114 HD3 LYS 17 2HD LYS 17 5.812 5.177 -2.693
115 HE2 LYS 17 1HE LYS 17 4.189 6.350 -4.040
116 HE3 LYS 17 2HE LYS 17 5.087 5.220 -5.052
117 HZ1 LYS 17 3HZ LYS 17 3.271 3.943 -5.399
118 HZ2 LYS 17 1HZ LYS 17 2.458 5.397 -5.104
119 HZ3 LYS 17 2HZ LYS 17 2.605 4.246 -3.874
120 H CYS 18 H CYS 18 5.010 -0.040 -0.292
121 HA CYS 18 HA CYS 18 7.486 -0.727 1.135
122 HB2 CYS 18 1HB CYS 18 6.424 -0.097 3.268
123 HB3 CYS 18 2HB CYS 18 6.581 1.283 2.186
124 H GLN 19 H GLN 19 4.898 -1.905 -0.369
125 HA GLN 19 HA GLN 19 3.805 -3.900 -0.371
126 HB2 GLN 19 1HB GLN 19 6.109 -4.523 1.456
127 HB3 GLN 19 2HB GLN 19 4.867 -5.722 1.122
128 HG2 GLN 19 1HG GLN 19 6.731 -4.420 -0.844
129 HG3 GLN 19 2HG GLN 19 6.690 -6.113 -0.352
130 HE21 GLN 19 1HE2 GLN 19 5.252 -7.487 -1.290
131 HE22 GLN 19 2HE2 GLN 19 4.224 -7.047 -2.606
132 H ALA 20 H ALA 20 2.466 -2.089 0.996
133 HA ALA 20 HA ALA 20 1.775 -3.245 3.603
134 HB1 ALA 20 3HB ALA 20 2.304 -0.803 3.422
135 HB2 ALA 20 1HB ALA 20 0.836 -0.621 2.461
136 HB3 ALA 20 2HB ALA 20 0.733 -1.170 4.134
137 H THR 21 H THR 21 -0.759 -2.625 4.007
138 HA THR 21 HA THR 21 -2.342 -3.534 1.722
139 HB THR 21 HB THR 21 -3.581 -5.118 3.292
140 HG1 THR 21 HG1 THR 21 -1.272 -4.527 4.823
141 HG21 THR 21 3HG2 THR 21 -1.138 -6.538 3.167
142 HG22 THR 21 1HG2 THR 21 -1.191 -5.470 1.765
143 HG23 THR 21 2HG2 THR 21 -2.500 -6.618 2.050
144 H PHE 22 H PHE 22 -4.600 -3.107 1.914
145 HA PHE 22 HA PHE 22 -5.553 -1.607 4.197
146 HB2 PHE 22 1HB PHE 22 -5.334 -0.328 1.465
147 HB3 PHE 22 2HB PHE 22 -6.252 0.342 2.809
148 HD1 PHE 22 HD1 PHE 22 -2.880 -0.441 1.571
149 HD2 PHE 22 HD2 PHE 22 -5.174 1.474 4.602
150 HE1 PHE 22 HE1 PHE 22 -0.856 0.703 2.375
151 HE2 PHE 22 HE2 PHE 22 -3.154 2.622 5.410
152 HZ PHE 22 HZ PHE 22 -0.991 2.238 4.296
153 H ASN 23 H ASN 23 -7.679 -1.919 4.507
154 HA ASN 23 HA ASN 23 -9.085 -3.745 2.837
155 HB2 ASN 23 1HB ASN 23 -9.322 -3.383 5.380
156 HB3 ASN 23 2HB ASN 23 -10.376 -2.037 4.954
157 HD21 ASN 23 1HD2 ASN 23 -12.250 -2.877 5.718
158 HD22 ASN 23 2HD2 ASN 23 -13.012 -4.282 5.061
159 H LEU 24 H LEU 24 -9.327 -0.261 3.418
160 HA LEU 24 HA LEU 24 -11.331 -0.057 1.287
161 HB2 LEU 24 1HB LEU 24 -10.416 1.935 3.355
162 HB3 LEU 24 2HB LEU 24 -11.606 2.275 2.100
163 HG LEU 24 HG LEU 24 -12.112 -0.001 3.953
164 HD11 LEU 24 1HD1 LEU 24 -12.713 2.852 4.701
165 HD12 LEU 24 2HD1 LEU 24 -11.359 1.930 5.356
166 HD13 LEU 24 3HD1 LEU 24 -13.013 1.397 5.653
167 HD21 LEU 24 3HD2 LEU 24 -13.844 2.068 2.606
168 HD22 LEU 24 1HD2 LEU 24 -14.433 0.765 3.639
169 HD23 LEU 24 2HD2 LEU 24 -13.633 0.388 2.112
170 H ARG 25 H ARG 25 -11.102 1.581 -0.351
171 HA ARG 25 HA ARG 25 -8.477 1.651 -1.458
172 HB2 ARG 25 1HB ARG 25 -10.493 1.545 -2.862
173 HB3 ARG 25 2HB ARG 25 -10.973 3.139 -2.294
174 HG2 ARG 25 1HG ARG 25 -8.978 4.107 -3.318
175 HG3 ARG 25 2HG ARG 25 -8.497 2.508 -3.888
176 HD2 ARG 25 1HD ARG 25 -10.233 2.397 -5.427
177 HD3 ARG 25 2HD ARG 25 -11.186 3.619 -4.586
178 HE ARG 25 HE ARG 25 -10.018 5.265 -5.698
179 HH11 ARG 25 1HH1 ARG 25 -8.499 2.175 -6.211
180 HH12 ARG 25 2HH1 ARG 25 -7.447 2.753 -7.460
181 HH21 ARG 25 1HH2 ARG 25 -8.638 6.038 -7.342
182 HH22 ARG 25 2HH2 ARG 25 -7.527 4.951 -8.102
183 H LYS 26 H LYS 26 -10.655 4.359 -0.643
184 HA LYS 26 HA LYS 26 -8.949 6.454 -0.831
185 HB2 LYS 26 1HB LYS 26 -10.338 7.657 0.676
186 HB3 LYS 26 2HB LYS 26 -11.383 6.510 -0.153
187 HG2 LYS 26 1HG LYS 26 -10.189 5.693 2.441
188 HG3 LYS 26 2HG LYS 26 -11.504 6.870 2.455
189 HD2 LYS 26 1HD LYS 26 -11.690 4.267 0.960
190 HD3 LYS 26 2HD LYS 26 -12.149 4.415 2.658
191 HE2 LYS 26 1HE LYS 26 -13.280 6.159 0.480
192 HE3 LYS 26 2HE LYS 26 -14.025 4.644 0.988
193 HZ1 LYS 26 3HZ LYS 26 -14.455 5.500 3.114
194 HZ2 LYS 26 1HZ LYS 26 -14.893 6.743 2.053
195 HZ3 LYS 26 2HZ LYS 26 -13.429 6.828 2.896
196 H HIS 27 H HIS 27 -8.889 3.956 1.576
197 HA HIS 27 HA HIS 27 -7.347 5.251 3.543
198 HB2 HIS 27 1HB HIS 27 -7.986 2.427 2.856
199 HB3 HIS 27 2HB HIS 27 -6.607 2.709 3.915
200 HD1 HIS 27 HD1 HIS 27 -7.552 1.965 6.111
201 HD2 HIS 27 HD2 HIS 27 -10.032 4.655 4.143
202 HE1 HIS 27 HE1 HIS 27 -9.369 2.531 7.755
203 H LEU 28 H LEU 28 -6.412 3.255 0.762
204 HA LEU 28 HA LEU 28 -3.651 3.235 1.241
205 HB2 LEU 28 1HB LEU 28 -4.465 1.697 -0.327
206 HB3 LEU 28 2HB LEU 28 -5.313 2.945 -1.238
207 HG LEU 28 HG LEU 28 -2.949 3.832 -1.786
208 HD11 LEU 28 1HD1 LEU 28 -2.272 0.988 -1.054
209 HD12 LEU 28 2HD1 LEU 28 -1.787 2.415 -0.139
210 HD13 LEU 28 3HD1 LEU 28 -1.191 2.177 -1.782
211 HD21 LEU 28 3HD2 LEU 28 -2.746 2.024 -3.600
212 HD22 LEU 28 1HD2 LEU 28 -4.215 2.999 -3.556
213 HD23 LEU 28 2HD2 LEU 28 -4.226 1.360 -2.904
214 H ILE 29 H ILE 29 -5.559 5.349 -0.903
215 HA ILE 29 HA ILE 29 -3.618 6.960 -1.927
216 HB ILE 29 HB ILE 29 -6.319 7.857 -0.918
217 HG12 ILE 29 1HG1 ILE 29 -5.608 7.306 -3.780
218 HG13 ILE 29 2HG1 ILE 29 -6.041 5.975 -2.713
219 HG21 ILE 29 1HG2 ILE 29 -4.795 9.742 -1.248
220 HG22 ILE 29 2HG2 ILE 29 -4.467 9.189 -2.889
221 HG23 ILE 29 3HG2 ILE 29 -6.085 9.737 -2.450
222 HD11 ILE 29 3HD1 ILE 29 -8.213 6.531 -2.695
223 HD12 ILE 29 1HD1 ILE 29 -7.883 8.263 -2.686
224 HD13 ILE 29 2HD1 ILE 29 -7.803 7.357 -4.197
225 H GLN 30 H GLN 30 -5.189 7.351 1.236
226 HA GLN 30 HA GLN 30 -3.874 9.687 2.023
227 HB2 GLN 30 1HB GLN 30 -5.807 8.846 3.225
228 HB3 GLN 30 2HB GLN 30 -4.921 7.404 3.703
229 HG2 GLN 30 1HG GLN 30 -4.878 8.736 5.599
230 HG3 GLN 30 2HG GLN 30 -3.301 9.010 4.859
231 HE21 GLN 30 1HE2 GLN 30 -2.689 11.039 4.773
232 HE22 GLN 30 2HE2 GLN 30 -3.725 12.420 4.724
233 H HIS 31 H HIS 31 -3.029 6.290 2.665
234 HA HIS 31 HA HIS 31 -0.714 6.751 4.149
235 HB2 HIS 31 1HB HIS 31 -1.418 4.544 4.216
236 HB3 HIS 31 2HB HIS 31 -1.700 4.472 2.478
237 HD1 HIS 31 HD1 HIS 31 1.047 4.231 5.029
238 HD2 HIS 31 HD2 HIS 31 0.470 3.657 0.955
239 HE1 HIS 31 HE1 HIS 31 3.131 3.085 4.210
240 H GLN 32 H GLN 32 -0.935 5.955 0.676
241 HA GLN 32 HA GLN 32 1.611 6.073 -0.143
242 HB2 GLN 32 1HB GLN 32 -0.691 7.484 -1.502
243 HB3 GLN 32 2HB GLN 32 0.836 7.071 -2.270
244 HG2 GLN 32 1HG GLN 32 -0.957 5.007 -1.032
245 HG3 GLN 32 2HG GLN 32 -1.118 5.529 -2.708
246 HE21 GLN 32 1HE2 GLN 32 -0.687 3.302 -3.228
247 HE22 GLN 32 2HE2 GLN 32 0.943 2.735 -3.283
248 H LYS 33 H LYS 33 -0.361 8.900 0.647
249 HA LYS 33 HA LYS 33 1.149 10.994 -0.154
250 HB2 LYS 33 1HB LYS 33 -0.084 10.740 2.596
251 HB3 LYS 33 2HB LYS 33 0.333 12.244 1.785
252 HG2 LYS 33 1HG LYS 33 -1.291 11.608 -0.018
253 HG3 LYS 33 2HG LYS 33 -1.807 10.276 1.019
254 HD2 LYS 33 1HD LYS 33 -3.326 11.860 1.654
255 HD3 LYS 33 2HD LYS 33 -2.031 12.225 2.796
256 HE2 LYS 33 1HE LYS 33 -1.216 13.986 1.314
257 HE3 LYS 33 2HE LYS 33 -2.489 13.610 0.154
258 HZ1 LYS 33 3HZ LYS 33 -3.702 15.109 1.228
259 HZ2 LYS 33 1HZ LYS 33 -2.608 15.209 2.514
260 HZ3 LYS 33 2HZ LYS 33 -3.806 14.016 2.515
261 H THR 34 H THR 34 1.717 9.104 2.802
262 HA THR 34 HA THR 34 3.807 10.443 3.927
263 HB THR 34 HB THR 34 4.611 8.318 4.831
264 HG1 THR 34 HG1 THR 34 4.477 6.911 3.133
265 HG21 THR 34 3HG2 THR 34 2.562 7.575 5.906
266 HG22 THR 34 1HG2 THR 34 1.596 8.367 4.662
267 HG23 THR 34 2HG2 THR 34 2.568 9.333 5.773
268 H HIS 35 H HIS 35 3.986 8.141 1.236
269 HA HIS 35 HA HIS 35 6.812 8.250 0.976
270 HB2 HIS 35 1HB HIS 35 4.729 7.474 -1.076
271 HB3 HIS 35 2HB HIS 35 6.453 7.133 -1.183
272 HD1 HIS 35 HD1 HIS 35 7.205 5.844 1.323
273 HD2 HIS 35 HD2 HIS 35 3.461 5.211 -0.362
274 HE1 HIS 35 HE1 HIS 35 6.388 3.674 2.297
275 H ALA 36 H ALA 36 4.157 10.052 -0.466
276 HA ALA 36 HA ALA 36 5.560 11.370 -2.492
277 HB1 ALA 36 3HB ALA 36 3.757 13.179 -2.104
278 HB2 ALA 36 1HB ALA 36 3.253 11.571 -2.623
279 HB3 ALA 36 2HB ALA 36 3.096 12.040 -0.930
280 H ALA 37 H ALA 37 4.847 12.478 0.822
281 HA ALA 37 HA ALA 37 7.227 14.201 0.658
282 HB1 ALA 37 3HB ALA 37 4.444 14.965 1.240
283 HB2 ALA 37 1HB ALA 37 5.665 15.644 2.317
284 HB3 ALA 37 2HB ALA 37 5.771 15.919 0.578
285 H LYS 38 H LYS 38 8.588 13.113 1.963
286 HA LYS 38 HA LYS 38 7.649 12.509 4.691
287 HB2 LYS 38 1HB LYS 38 8.180 10.514 3.188
288 HB3 LYS 38 2HB LYS 38 9.861 11.022 3.283
289 HG2 LYS 38 1HG LYS 38 9.500 10.928 5.840
290 HG3 LYS 38 2HG LYS 38 8.092 9.943 5.435
291 HD2 LYS 38 1HD LYS 38 9.592 8.450 4.123
292 HD3 LYS 38 2HD LYS 38 10.968 9.390 4.708
293 HE2 LYS 38 1HE LYS 38 10.233 8.853 7.039
294 HE3 LYS 38 2HE LYS 38 9.028 7.767 6.348
295 HZ1 LYS 38 3HZ LYS 38 11.516 7.176 5.205
296 HZ2 LYS 38 1HZ LYS 38 10.565 6.202 6.210
297 HZ3 LYS 38 2HZ LYS 38 11.718 7.240 6.883
298 H SER 39 H SER 39 8.598 15.003 4.170
299 HA SER 39 HA SER 39 11.428 15.065 4.864
300 HB2 SER 39 1HB SER 39 10.483 16.616 3.138
301 HB3 SER 39 2HB SER 39 9.543 17.390 4.414
302 HG SER 39 HG SER 39 11.865 17.456 5.403
303 H GLY 40 H GLY 40 9.829 13.930 6.843
304 HA2 GLY 40 1HA GLY 40 9.105 14.184 9.035
305 HA3 GLY 40 2HA GLY 40 10.678 14.954 9.174
306 HA PRO 41 HA PRO 41 7.339 18.434 8.568
307 HB2 PRO 41 1HB PRO 41 4.789 17.680 9.117
308 HB3 PRO 41 2HB PRO 41 5.485 17.604 7.494
309 HG2 PRO 41 1HG PRO 41 5.133 15.418 9.508
310 HG3 PRO 41 2HG PRO 41 4.835 15.388 7.761
311 HD2 PRO 41 1HD PRO 41 7.077 14.355 8.874
312 HD3 PRO 41 2HD PRO 41 7.065 15.090 7.258
313 H SER 42 H SER 42 8.386 19.123 10.460
314 HA SER 42 HA SER 42 6.790 18.783 12.903
315 HB2 SER 42 1HB SER 42 9.789 18.535 12.645
316 HB3 SER 42 2HB SER 42 8.982 18.813 14.188
317 HG SER 42 HG SER 42 9.396 16.512 13.031
318 H SER 43 H SER 43 9.608 20.591 11.667
319 HA SER 43 HA SER 43 9.625 22.796 13.187
320 HB2 SER 43 1HB SER 43 9.801 22.796 10.164
321 HB3 SER 43 2HB SER 43 10.361 24.098 11.212
322 HG SER 43 HG SER 43 11.339 21.440 11.086
323 H GLY 44 H GLY 44 7.605 22.616 10.244
324 HA2 GLY 44 1HA GLY 44 5.313 23.254 10.179
325 HA3 GLY 44 2HA GLY 44 5.567 24.209 11.632
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 -1.851 -24.383 -28.186
2 HA2 GLY 1 1HA GLY 1 -0.602 -23.304 -26.442
3 HA3 GLY 1 2HA GLY 1 -0.742 -21.794 -27.330
4 H SER 2 H SER 2 -2.350 -24.037 -25.197
5 HA SER 2 HA SER 2 -4.830 -22.632 -25.085
6 HB2 SER 2 1HB SER 2 -3.622 -24.626 -23.153
7 HB3 SER 2 2HB SER 2 -5.294 -24.066 -23.122
8 HG SER 2 HG SER 2 -5.735 -25.220 -24.872
9 H SER 3 H SER 3 -4.888 -20.591 -24.392
10 HA SER 3 HA SER 3 -3.883 -20.004 -21.721
11 HB2 SER 3 1HB SER 3 -3.147 -18.298 -24.112
12 HB3 SER 3 2HB SER 3 -2.734 -17.966 -22.430
13 HG SER 3 HG SER 3 -1.053 -19.005 -23.700
14 H GLY 4 H GLY 4 -5.442 -19.025 -20.622
15 HA2 GLY 4 1HA GLY 4 -7.397 -17.400 -22.132
16 HA3 GLY 4 2HA GLY 4 -7.844 -18.419 -20.771
17 H SER 5 H SER 5 -8.232 -17.319 -18.982
18 HA SER 5 HA SER 5 -7.035 -14.674 -18.643
19 HB2 SER 5 1HB SER 5 -9.447 -14.788 -18.370
20 HB3 SER 5 2HB SER 5 -9.281 -16.055 -17.155
21 HG SER 5 HG SER 5 -8.085 -14.482 -15.900
22 H SER 6 H SER 6 -5.692 -14.130 -16.990
23 HA SER 6 HA SER 6 -4.179 -16.185 -15.762
24 HB2 SER 6 1HB SER 6 -3.050 -14.142 -16.200
25 HB3 SER 6 2HB SER 6 -4.281 -13.195 -15.365
26 HG SER 6 HG SER 6 -2.080 -13.996 -14.329
27 H GLY 7 H GLY 7 -6.323 -13.719 -14.318
28 HA2 GLY 7 1HA GLY 7 -8.014 -14.405 -12.713
29 HA3 GLY 7 2HA GLY 7 -6.905 -15.653 -12.167
30 H HIS 8 H HIS 8 -8.121 -12.608 -11.537
31 HA HIS 8 HA HIS 8 -5.776 -11.674 -10.081
32 HB2 HIS 8 1HB HIS 8 -8.406 -10.468 -10.847
33 HB3 HIS 8 2HB HIS 8 -7.498 -9.771 -9.509
34 HD1 HIS 8 HD1 HIS 8 -7.083 -10.538 -13.198
35 HD2 HIS 8 HD2 HIS 8 -5.504 -8.067 -10.255
36 HE1 HIS 8 HE1 HIS 8 -5.529 -8.970 -14.400
37 H THR 9 H THR 9 -9.165 -12.515 -9.413
38 HA THR 9 HA THR 9 -10.251 -12.845 -7.406
39 HB THR 9 HB THR 9 -9.333 -14.746 -6.140
40 HG1 THR 9 HG1 THR 9 -7.152 -14.453 -6.164
41 HG21 THR 9 3HG2 THR 9 -10.558 -15.482 -7.972
42 HG22 THR 9 1HG2 THR 9 -9.011 -16.296 -8.198
43 HG23 THR 9 2HG2 THR 9 -9.392 -14.850 -9.134
44 H ARG 10 H ARG 10 -8.710 -10.492 -7.282
45 HA ARG 10 HA ARG 10 -7.437 -10.563 -4.648
46 HB2 ARG 10 1HB ARG 10 -6.590 -8.345 -5.183
47 HB3 ARG 10 2HB ARG 10 -6.219 -9.467 -6.485
48 HG2 ARG 10 1HG ARG 10 -6.947 -7.706 -7.714
49 HG3 ARG 10 2HG ARG 10 -8.491 -8.522 -7.456
50 HD2 ARG 10 1HD ARG 10 -9.048 -6.378 -6.869
51 HD3 ARG 10 2HD ARG 10 -8.560 -7.025 -5.303
52 HE ARG 10 HE ARG 10 -6.392 -5.806 -6.714
53 HH11 ARG 10 1HH1 ARG 10 -9.148 -5.179 -4.682
54 HH12 ARG 10 2HH1 ARG 10 -8.511 -3.696 -4.053
55 HH21 ARG 10 1HH2 ARG 10 -5.542 -3.855 -5.892
56 HH22 ARG 10 2HH2 ARG 10 -6.460 -2.944 -4.742
57 H LYS 11 H LYS 11 -8.303 -9.649 -2.879
58 HA LYS 11 HA LYS 11 -10.786 -8.096 -3.213
59 HB2 LYS 11 1HB LYS 11 -10.144 -10.368 -1.386
60 HB3 LYS 11 2HB LYS 11 -11.222 -9.106 -0.803
61 HG2 LYS 11 1HG LYS 11 -12.690 -10.648 -1.681
62 HG3 LYS 11 2HG LYS 11 -12.499 -9.510 -3.017
63 HD2 LYS 11 1HD LYS 11 -12.266 -11.554 -4.077
64 HD3 LYS 11 2HD LYS 11 -10.588 -11.108 -3.760
65 HE2 LYS 11 1HE LYS 11 -10.376 -12.643 -2.031
66 HE3 LYS 11 2HE LYS 11 -12.118 -12.746 -1.777
67 HZ1 LYS 11 3HZ LYS 11 -10.798 -14.632 -3.011
68 HZ2 LYS 11 1HZ LYS 11 -11.053 -13.634 -4.354
69 HZ3 LYS 11 2HZ LYS 11 -12.373 -14.219 -3.472
70 H ARG 12 H ARG 12 -7.677 -7.794 -2.442
71 HA ARG 12 HA ARG 12 -8.219 -5.624 -0.541
72 HB2 ARG 12 1HB ARG 12 -6.246 -6.191 0.763
73 HB3 ARG 12 2HB ARG 12 -7.358 -7.553 0.728
74 HG2 ARG 12 1HG ARG 12 -5.922 -8.404 -1.228
75 HG3 ARG 12 2HG ARG 12 -4.726 -7.238 -0.658
76 HD2 ARG 12 1HD ARG 12 -5.124 -8.339 1.654
77 HD3 ARG 12 2HD ARG 12 -5.812 -9.665 0.718
78 HE ARG 12 HE ARG 12 -3.030 -8.935 0.918
79 HH11 ARG 12 1HH1 ARG 12 -5.449 -10.618 -0.936
80 HH12 ARG 12 2HH1 ARG 12 -4.311 -11.673 -1.706
81 HH21 ARG 12 1HH2 ARG 12 -1.523 -10.318 -0.090
82 HH22 ARG 12 2HH2 ARG 12 -2.078 -11.503 -1.224
83 H TYR 13 H TYR 13 -6.430 -4.036 -0.433
84 HA TYR 13 HA TYR 13 -5.220 -3.717 -3.092
85 HB2 TYR 13 1HB TYR 13 -5.754 -1.637 -0.962
86 HB3 TYR 13 2HB TYR 13 -5.088 -1.323 -2.560
87 HD1 TYR 13 HD2 TYR 13 -8.092 -2.821 -0.927
88 HD2 TYR 13 HD1 TYR 13 -6.523 -0.718 -4.276
89 HE1 TYR 13 HE2 TYR 13 -10.370 -2.547 -1.815
90 HE2 TYR 13 HE1 TYR 13 -8.796 -0.437 -5.173
91 HH TYR 13 HH TYR 13 -11.363 -0.494 -3.726
92 H GLU 14 H GLU 14 -3.063 -3.574 -3.351
93 HA GLU 14 HA GLU 14 -1.409 -3.764 -0.923
94 HB2 GLU 14 1HB GLU 14 -1.205 -4.997 -3.628
95 HB3 GLU 14 2HB GLU 14 0.290 -4.616 -2.785
96 HG2 GLU 14 1HG GLU 14 -0.353 -6.004 -0.924
97 HG3 GLU 14 2HG GLU 14 -1.927 -6.310 -1.657
98 H CYS 15 H CYS 15 0.508 -2.569 -0.777
99 HA CYS 15 HA CYS 15 0.439 -0.062 -2.236
100 HB2 CYS 15 1HB CYS 15 0.870 -0.381 0.304
101 HB3 CYS 15 2HB CYS 15 2.509 -0.798 -0.185
102 H SER 16 H SER 16 2.610 0.873 -2.922
103 HA SER 16 HA SER 16 4.014 -1.167 -4.505
104 HB2 SER 16 1HB SER 16 3.398 1.725 -4.936
105 HB3 SER 16 2HB SER 16 4.851 1.057 -5.679
106 HG SER 16 HG SER 16 3.606 0.216 -7.130
107 H LYS 17 H LYS 17 4.475 1.435 -2.207
108 HA LYS 17 HA LYS 17 7.361 1.257 -2.317
109 HB2 LYS 17 1HB LYS 17 5.800 3.321 -1.745
110 HB3 LYS 17 2HB LYS 17 5.931 2.677 -0.114
111 HG2 LYS 17 1HG LYS 17 7.694 4.103 -0.088
112 HG3 LYS 17 2HG LYS 17 8.507 2.668 -0.716
113 HD2 LYS 17 1HD LYS 17 7.244 4.525 -2.664
114 HD3 LYS 17 2HD LYS 17 8.742 5.036 -1.884
115 HE2 LYS 17 1HE LYS 17 9.745 2.851 -2.593
116 HE3 LYS 17 2HE LYS 17 8.282 2.554 -3.531
117 HZ1 LYS 17 3HZ LYS 17 9.180 3.716 -5.169
118 HZ2 LYS 17 1HZ LYS 17 10.536 4.091 -4.228
119 HZ3 LYS 17 2HZ LYS 17 9.178 5.099 -4.195
120 H CYS 18 H CYS 18 5.090 0.989 0.422
121 HA CYS 18 HA CYS 18 6.952 -0.703 1.844
122 HB2 CYS 18 1HB CYS 18 5.383 -0.575 3.683
123 HB3 CYS 18 2HB CYS 18 5.598 1.034 3.001
124 H GLN 19 H GLN 19 4.389 -1.147 -0.333
125 HA GLN 19 HA GLN 19 3.259 -2.970 -1.092
126 HB2 GLN 19 1HB GLN 19 5.603 -4.390 0.182
127 HB3 GLN 19 2HB GLN 19 4.429 -5.163 -0.875
128 HG2 GLN 19 1HG GLN 19 5.836 -2.745 -1.869
129 HG3 GLN 19 2HG GLN 19 6.731 -4.261 -1.778
130 HE21 GLN 19 1HE2 GLN 19 4.935 -6.122 -2.470
131 HE22 GLN 19 2HE2 GLN 19 4.365 -5.862 -4.080
132 H ALA 20 H ALA 20 2.361 -1.927 1.342
133 HA ALA 20 HA ALA 20 1.797 -4.202 3.072
134 HB1 ALA 20 3HB ALA 20 1.049 -2.677 4.669
135 HB2 ALA 20 1HB ALA 20 2.384 -1.837 3.879
136 HB3 ALA 20 2HB ALA 20 0.718 -1.432 3.463
137 H THR 21 H THR 21 -0.641 -3.936 3.995
138 HA THR 21 HA THR 21 -2.391 -4.059 1.625
139 HB THR 21 HB THR 21 -3.753 -5.720 2.847
140 HG1 THR 21 HG1 THR 21 -2.411 -6.687 4.703
141 HG21 THR 21 3HG2 THR 21 -1.531 -6.186 1.425
142 HG22 THR 21 1HG2 THR 21 -2.492 -7.478 2.143
143 HG23 THR 21 2HG2 THR 21 -1.039 -6.902 2.959
144 H PHE 22 H PHE 22 -4.415 -3.140 1.738
145 HA PHE 22 HA PHE 22 -5.136 -1.756 4.225
146 HB2 PHE 22 1HB PHE 22 -5.108 -0.531 1.460
147 HB3 PHE 22 2HB PHE 22 -5.838 0.221 2.874
148 HD1 PHE 22 HD1 PHE 22 -2.647 -0.913 1.407
149 HD2 PHE 22 HD2 PHE 22 -4.533 1.391 4.449
150 HE1 PHE 22 HE1 PHE 22 -0.478 0.094 1.984
151 HE2 PHE 22 HE2 PHE 22 -2.367 2.403 5.030
152 HZ PHE 22 HZ PHE 22 -0.336 1.755 3.797
153 H ASN 23 H ASN 23 -7.254 -1.832 4.739
154 HA ASN 23 HA ASN 23 -8.951 -3.611 3.307
155 HB2 ASN 23 1HB ASN 23 -9.244 -1.889 5.738
156 HB3 ASN 23 2HB ASN 23 -10.686 -2.579 4.999
157 HD21 ASN 23 1HD2 ASN 23 -7.766 -3.221 6.738
158 HD22 ASN 23 2HD2 ASN 23 -8.108 -4.872 7.116
159 H LEU 24 H LEU 24 -9.015 -0.096 3.838
160 HA LEU 24 HA LEU 24 -11.114 0.161 1.816
161 HB2 LEU 24 1HB LEU 24 -9.922 2.331 3.527
162 HB3 LEU 24 2HB LEU 24 -11.421 2.394 2.602
163 HG LEU 24 HG LEU 24 -12.242 0.536 4.168
164 HD11 LEU 24 1HD1 LEU 24 -9.626 1.192 5.341
165 HD12 LEU 24 2HD1 LEU 24 -10.587 -0.282 5.451
166 HD13 LEU 24 3HD1 LEU 24 -10.969 1.098 6.481
167 HD21 LEU 24 3HD2 LEU 24 -12.107 2.674 6.011
168 HD22 LEU 24 1HD2 LEU 24 -13.430 2.248 4.925
169 HD23 LEU 24 2HD2 LEU 24 -12.183 3.377 4.394
170 H ARG 25 H ARG 25 -10.851 1.251 -0.089
171 HA ARG 25 HA ARG 25 -8.240 1.373 -1.185
172 HB2 ARG 25 1HB ARG 25 -10.366 0.948 -2.466
173 HB3 ARG 25 2HB ARG 25 -10.737 2.659 -2.295
174 HG2 ARG 25 1HG ARG 25 -8.450 3.054 -3.397
175 HG3 ARG 25 2HG ARG 25 -8.553 1.358 -3.873
176 HD2 ARG 25 1HD ARG 25 -10.915 2.025 -4.738
177 HD3 ARG 25 2HD ARG 25 -10.271 3.666 -4.688
178 HE ARG 25 HE ARG 25 -8.605 1.774 -6.086
179 HH11 ARG 25 1HH1 ARG 25 -11.230 4.047 -6.337
180 HH12 ARG 25 2HH1 ARG 25 -11.015 4.306 -8.037
181 HH21 ARG 25 1HH2 ARG 25 -8.311 2.107 -8.323
182 HH22 ARG 25 2HH2 ARG 25 -9.355 3.202 -9.165
183 H LYS 26 H LYS 26 -10.592 3.957 -0.467
184 HA LYS 26 HA LYS 26 -8.996 6.134 -1.085
185 HB2 LYS 26 1HB LYS 26 -10.440 7.423 0.457
186 HB3 LYS 26 2HB LYS 26 -11.361 6.382 -0.620
187 HG2 LYS 26 1HG LYS 26 -10.630 5.321 2.054
188 HG3 LYS 26 2HG LYS 26 -11.897 6.546 1.956
189 HD2 LYS 26 1HD LYS 26 -12.756 4.959 0.011
190 HD3 LYS 26 2HD LYS 26 -11.861 3.753 0.938
191 HE2 LYS 26 1HE LYS 26 -13.132 4.412 2.951
192 HE3 LYS 26 2HE LYS 26 -14.063 5.540 1.968
193 HZ1 LYS 26 3HZ LYS 26 -14.336 2.696 2.236
194 HZ2 LYS 26 1HZ LYS 26 -14.288 3.197 0.621
195 HZ3 LYS 26 2HZ LYS 26 -15.448 3.838 1.671
196 H HIS 27 H HIS 27 -8.853 4.005 1.637
197 HA HIS 27 HA HIS 27 -7.444 5.689 3.423
198 HB2 HIS 27 1HB HIS 27 -7.975 2.768 3.212
199 HB3 HIS 27 2HB HIS 27 -6.644 3.277 4.247
200 HD1 HIS 27 HD1 HIS 27 -10.222 4.517 3.781
201 HD2 HIS 27 HD2 HIS 27 -7.543 3.464 6.776
202 HE1 HIS 27 HE1 HIS 27 -11.457 4.872 5.943
203 H LEU 28 H LEU 28 -6.395 3.371 0.966
204 HA LEU 28 HA LEU 28 -3.626 3.564 1.543
205 HB2 LEU 28 1HB LEU 28 -4.376 1.661 0.358
206 HB3 LEU 28 2HB LEU 28 -5.166 2.648 -0.870
207 HG LEU 28 HG LEU 28 -2.829 3.423 -1.524
208 HD11 LEU 28 1HD1 LEU 28 -1.980 2.300 0.723
209 HD12 LEU 28 2HD1 LEU 28 -0.963 2.411 -0.713
210 HD13 LEU 28 3HD1 LEU 28 -1.801 0.905 -0.342
211 HD21 LEU 28 3HD2 LEU 28 -4.315 1.679 -2.669
212 HD22 LEU 28 1HD2 LEU 28 -3.256 0.480 -1.927
213 HD23 LEU 28 2HD2 LEU 28 -2.592 1.667 -3.050
214 H ILE 29 H ILE 29 -5.778 5.290 -0.649
215 HA ILE 29 HA ILE 29 -3.984 6.643 -2.236
216 HB ILE 29 HB ILE 29 -6.514 7.798 -1.058
217 HG12 ILE 29 1HG1 ILE 29 -7.055 5.733 -2.146
218 HG13 ILE 29 2HG1 ILE 29 -7.510 7.034 -3.241
219 HG21 ILE 29 1HG2 ILE 29 -5.248 8.523 -3.681
220 HG22 ILE 29 2HG2 ILE 29 -6.497 9.385 -2.785
221 HG23 ILE 29 3HG2 ILE 29 -4.840 9.359 -2.183
222 HD11 ILE 29 3HD1 ILE 29 -6.405 5.884 -4.786
223 HD12 ILE 29 1HD1 ILE 29 -4.940 6.477 -4.004
224 HD13 ILE 29 2HD1 ILE 29 -5.583 4.889 -3.585
225 H GLN 30 H GLN 30 -5.235 7.693 0.930
226 HA GLN 30 HA GLN 30 -3.598 10.011 1.057
227 HB2 GLN 30 1HB GLN 30 -5.781 9.387 2.366
228 HB3 GLN 30 2HB GLN 30 -4.661 8.659 3.509
229 HG2 GLN 30 1HG GLN 30 -3.652 10.721 4.000
230 HG3 GLN 30 2HG GLN 30 -4.386 11.503 2.601
231 HE21 GLN 30 1HE2 GLN 30 -4.459 12.177 5.469
232 HE22 GLN 30 2HE2 GLN 30 -6.135 12.266 5.880
233 H HIS 31 H HIS 31 -3.210 6.689 2.093
234 HA HIS 31 HA HIS 31 -1.058 6.980 3.845
235 HB2 HIS 31 1HB HIS 31 -1.991 4.851 3.850
236 HB3 HIS 31 2HB HIS 31 -2.025 4.751 2.092
237 HD1 HIS 31 HD1 HIS 31 0.629 4.889 4.823
238 HD2 HIS 31 HD2 HIS 31 -0.083 3.152 1.116
239 HE1 HIS 31 HE1 HIS 31 2.608 3.400 4.387
240 H GLN 32 H GLN 32 -1.128 6.695 0.325
241 HA GLN 32 HA GLN 32 1.533 6.332 -0.246
242 HB2 GLN 32 1HB GLN 32 -0.620 7.880 -1.659
243 HB3 GLN 32 2HB GLN 32 1.014 7.812 -2.307
244 HG2 GLN 32 1HG GLN 32 0.900 5.475 -2.611
245 HG3 GLN 32 2HG GLN 32 -0.572 5.350 -1.648
246 HE21 GLN 32 1HE2 GLN 32 -0.623 4.186 -4.030
247 HE22 GLN 32 2HE2 GLN 32 -1.570 5.089 -5.157
248 H LYS 33 H LYS 33 -0.125 9.440 0.260
249 HA LYS 33 HA LYS 33 1.738 11.295 -0.185
250 HB2 LYS 33 1HB LYS 33 -0.141 11.014 2.138
251 HB3 LYS 33 2HB LYS 33 0.949 12.391 2.043
252 HG2 LYS 33 1HG LYS 33 -1.136 13.061 1.132
253 HG3 LYS 33 2HG LYS 33 -0.005 12.888 -0.212
254 HD2 LYS 33 1HD LYS 33 -1.664 10.536 0.535
255 HD3 LYS 33 2HD LYS 33 -2.451 11.874 -0.304
256 HE2 LYS 33 1HE LYS 33 0.124 10.793 -1.356
257 HE3 LYS 33 2HE LYS 33 -1.369 9.903 -1.649
258 HZ1 LYS 33 3HZ LYS 33 -1.207 12.784 -2.254
259 HZ2 LYS 33 1HZ LYS 33 -2.241 11.615 -2.907
260 HZ3 LYS 33 2HZ LYS 33 -0.611 11.646 -3.355
261 H THR 34 H THR 34 1.696 9.249 2.718
262 HA THR 34 HA THR 34 3.825 10.286 4.107
263 HB THR 34 HB THR 34 4.110 8.144 5.160
264 HG1 THR 34 HG1 THR 34 2.697 6.388 4.086
265 HG21 THR 34 3HG2 THR 34 1.222 7.919 4.586
266 HG22 THR 34 1HG2 THR 34 1.775 9.495 5.150
267 HG23 THR 34 2HG2 THR 34 2.064 8.057 6.129
268 H HIS 35 H HIS 35 3.940 7.856 1.515
269 HA HIS 35 HA HIS 35 6.766 7.581 1.554
270 HB2 HIS 35 1HB HIS 35 4.779 6.946 -0.637
271 HB3 HIS 35 2HB HIS 35 6.461 6.427 -0.615
272 HD1 HIS 35 HD1 HIS 35 6.652 5.471 2.310
273 HD2 HIS 35 HD2 HIS 35 3.505 4.570 -0.249
274 HE1 HIS 35 HE1 HIS 35 5.621 3.369 3.227
275 H ALA 36 H ALA 36 4.539 9.643 -0.219
276 HA ALA 36 HA ALA 36 6.835 10.945 -1.526
277 HB1 ALA 36 3HB ALA 36 5.218 11.811 -3.162
278 HB2 ALA 36 1HB ALA 36 5.230 10.048 -3.106
279 HB3 ALA 36 2HB ALA 36 3.928 10.947 -2.326
280 H ALA 37 H ALA 37 7.310 12.193 0.359
281 HA ALA 37 HA ALA 37 5.366 13.971 1.482
282 HB1 ALA 37 3HB ALA 37 6.859 13.788 3.124
283 HB2 ALA 37 1HB ALA 37 8.109 13.204 2.025
284 HB3 ALA 37 2HB ALA 37 7.849 14.937 2.224
285 H LYS 38 H LYS 38 4.601 15.120 -0.349
286 HA LYS 38 HA LYS 38 6.485 16.856 -1.742
287 HB2 LYS 38 1HB LYS 38 3.532 16.352 -2.137
288 HB3 LYS 38 2HB LYS 38 4.475 17.481 -3.102
289 HG2 LYS 38 1HG LYS 38 5.759 15.752 -4.055
290 HG3 LYS 38 2HG LYS 38 5.187 14.573 -2.873
291 HD2 LYS 38 1HD LYS 38 3.170 15.931 -4.585
292 HD3 LYS 38 2HD LYS 38 4.189 14.695 -5.326
293 HE2 LYS 38 1HE LYS 38 2.267 13.563 -4.565
294 HE3 LYS 38 2HE LYS 38 3.531 13.194 -3.392
295 HZ1 LYS 38 3HZ LYS 38 2.595 14.621 -1.827
296 HZ2 LYS 38 1HZ LYS 38 1.254 13.844 -2.506
297 HZ3 LYS 38 2HZ LYS 38 1.639 15.424 -2.969
298 H SER 39 H SER 39 5.613 19.154 -2.176
299 HA SER 39 HA SER 39 4.287 20.285 0.174
300 HB2 SER 39 1HB SER 39 7.068 20.918 -0.760
301 HB3 SER 39 2HB SER 39 6.100 22.163 0.028
302 HG SER 39 HG SER 39 6.986 19.692 1.068
303 H GLY 40 H GLY 40 3.025 22.035 -0.254
304 HA2 GLY 40 1HA GLY 40 3.250 23.303 -2.894
305 HA3 GLY 40 2HA GLY 40 1.714 22.585 -2.433
306 HA PRO 41 HA PRO 41 1.555 27.016 -1.178
307 HB2 PRO 41 1HB PRO 41 -1.024 27.368 -1.949
308 HB3 PRO 41 2HB PRO 41 0.342 27.537 -3.058
309 HG2 PRO 41 1HG PRO 41 -1.506 25.214 -2.669
310 HG3 PRO 41 2HG PRO 41 -0.891 25.914 -4.178
311 HD2 PRO 41 1HD PRO 41 0.153 23.669 -3.082
312 HD3 PRO 41 2HD PRO 41 1.133 24.825 -4.005
313 H SER 42 H SER 42 1.284 27.292 0.939
314 HA SER 42 HA SER 42 -0.099 25.581 2.646
315 HB2 SER 42 1HB SER 42 0.116 27.390 4.334
316 HB3 SER 42 2HB SER 42 1.623 27.095 3.467
317 HG SER 42 HG SER 42 1.532 29.040 2.669
318 H SER 43 H SER 43 -2.195 25.145 2.165
319 HA SER 43 HA SER 43 -4.057 27.419 2.009
320 HB2 SER 43 1HB SER 43 -4.369 24.577 1.012
321 HB3 SER 43 2HB SER 43 -5.626 25.811 0.932
322 HG SER 43 HG SER 43 -4.689 26.078 -0.969
323 H GLY 44 H GLY 44 -3.917 24.062 3.218
324 HA2 GLY 44 1HA GLY 44 -4.856 24.801 5.805
325 HA3 GLY 44 2HA GLY 44 -6.152 24.106 4.843
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 3.632 -34.372 -1.849
2 HA2 GLY 1 1HA GLY 1 2.841 -35.647 0.694
3 HA3 GLY 1 2HA GLY 1 4.470 -35.107 0.311
4 H SER 2 H SER 2 4.898 -32.830 0.244
5 HA SER 2 HA SER 2 3.947 -31.400 2.395
6 HB2 SER 2 1HB SER 2 5.185 -30.442 -0.188
7 HB3 SER 2 2HB SER 2 4.837 -29.359 1.160
8 HG SER 2 HG SER 2 6.722 -29.977 1.849
9 H SER 3 H SER 3 2.118 -30.371 2.844
10 HA SER 3 HA SER 3 0.466 -29.356 0.640
11 HB2 SER 3 1HB SER 3 -0.512 -31.066 2.939
12 HB3 SER 3 2HB SER 3 -1.570 -30.190 1.833
13 HG SER 3 HG SER 3 0.374 -32.010 0.893
14 H GLY 4 H GLY 4 -1.328 -27.912 1.511
15 HA2 GLY 4 1HA GLY 4 -1.822 -26.689 3.736
16 HA3 GLY 4 2HA GLY 4 -0.146 -26.186 3.579
17 H SER 5 H SER 5 -3.365 -25.920 2.217
18 HA SER 5 HA SER 5 -2.485 -23.492 0.796
19 HB2 SER 5 1HB SER 5 -3.083 -25.271 -0.793
20 HB3 SER 5 2HB SER 5 -4.668 -25.420 -0.035
21 HG SER 5 HG SER 5 -4.927 -24.092 -1.778
22 H SER 6 H SER 6 -3.324 -21.700 1.607
23 HA SER 6 HA SER 6 -6.011 -21.810 2.806
24 HB2 SER 6 1HB SER 6 -3.498 -20.578 3.902
25 HB3 SER 6 2HB SER 6 -5.077 -19.937 4.353
26 HG SER 6 HG SER 6 -4.156 -21.643 5.736
27 H GLY 7 H GLY 7 -7.137 -19.730 2.849
28 HA2 GLY 7 1HA GLY 7 -6.678 -17.324 1.935
29 HA3 GLY 7 2HA GLY 7 -6.521 -18.203 0.422
30 H HIS 8 H HIS 8 -8.624 -16.545 2.399
31 HA HIS 8 HA HIS 8 -10.961 -17.785 1.100
32 HB2 HIS 8 1HB HIS 8 -10.998 -16.247 3.699
33 HB3 HIS 8 2HB HIS 8 -12.303 -17.200 2.999
34 HD1 HIS 8 HD1 HIS 8 -11.290 -19.878 2.566
35 HD2 HIS 8 HD2 HIS 8 -9.924 -17.599 5.760
36 HE1 HIS 8 HE1 HIS 8 -10.368 -21.529 4.224
37 H THR 9 H THR 9 -9.622 -14.730 2.314
38 HA THR 9 HA THR 9 -11.501 -12.940 1.438
39 HB THR 9 HB THR 9 -9.480 -12.305 2.714
40 HG1 THR 9 HG1 THR 9 -9.534 -10.777 0.328
41 HG21 THR 9 3HG2 THR 9 -7.553 -13.137 1.895
42 HG22 THR 9 1HG2 THR 9 -7.559 -11.691 0.887
43 HG23 THR 9 2HG2 THR 9 -8.171 -13.216 0.246
44 H ARG 10 H ARG 10 -11.432 -11.454 -0.439
45 HA ARG 10 HA ARG 10 -11.019 -12.995 -2.889
46 HB2 ARG 10 1HB ARG 10 -12.722 -10.672 -2.118
47 HB3 ARG 10 2HB ARG 10 -12.244 -10.823 -3.803
48 HG2 ARG 10 1HG ARG 10 -13.567 -13.045 -2.272
49 HG3 ARG 10 2HG ARG 10 -14.463 -11.832 -3.190
50 HD2 ARG 10 1HD ARG 10 -12.318 -13.603 -4.353
51 HD3 ARG 10 2HD ARG 10 -14.044 -13.957 -4.427
52 HE ARG 10 HE ARG 10 -13.261 -11.381 -5.486
53 HH11 ARG 10 1HH1 ARG 10 -13.897 -14.738 -6.155
54 HH12 ARG 10 2HH1 ARG 10 -14.197 -14.480 -7.841
55 HH21 ARG 10 1HH2 ARG 10 -13.654 -11.028 -7.705
56 HH22 ARG 10 2HH2 ARG 10 -14.058 -12.369 -8.722
57 H LYS 11 H LYS 11 -10.530 -9.612 -1.856
58 HA LYS 11 HA LYS 11 -7.838 -9.562 -2.805
59 HB2 LYS 11 1HB LYS 11 -8.142 -7.923 -4.597
60 HB3 LYS 11 2HB LYS 11 -8.989 -9.420 -4.963
61 HG2 LYS 11 1HG LYS 11 -11.084 -8.343 -4.128
62 HG3 LYS 11 2HG LYS 11 -10.184 -6.828 -4.012
63 HD2 LYS 11 1HD LYS 11 -11.309 -6.789 -6.100
64 HD3 LYS 11 2HD LYS 11 -9.612 -7.120 -6.452
65 HE2 LYS 11 1HE LYS 11 -10.071 -9.456 -6.753
66 HE3 LYS 11 2HE LYS 11 -11.732 -9.248 -6.201
67 HZ1 LYS 11 3HZ LYS 11 -12.364 -8.297 -8.159
68 HZ2 LYS 11 1HZ LYS 11 -11.159 -9.336 -8.735
69 HZ3 LYS 11 2HZ LYS 11 -10.824 -7.693 -8.513
70 H ARG 12 H ARG 12 -6.818 -7.454 -2.483
71 HA ARG 12 HA ARG 12 -8.330 -5.499 -0.949
72 HB2 ARG 12 1HB ARG 12 -5.869 -6.839 0.187
73 HB3 ARG 12 2HB ARG 12 -6.764 -5.520 0.928
74 HG2 ARG 12 1HG ARG 12 -8.611 -6.891 1.398
75 HG3 ARG 12 2HG ARG 12 -8.045 -8.161 0.311
76 HD2 ARG 12 1HD ARG 12 -7.599 -8.913 2.511
77 HD3 ARG 12 2HD ARG 12 -6.052 -8.413 1.830
78 HE ARG 12 HE ARG 12 -5.960 -6.685 3.354
79 HH11 ARG 12 1HH1 ARG 12 -9.099 -8.188 3.435
80 HH12 ARG 12 2HH1 ARG 12 -9.594 -7.378 4.885
81 HH21 ARG 12 1HH2 ARG 12 -6.600 -5.612 5.263
82 HH22 ARG 12 2HH2 ARG 12 -8.172 -5.912 5.923
83 H TYR 13 H TYR 13 -6.903 -3.586 -0.383
84 HA TYR 13 HA TYR 13 -5.446 -2.835 -2.759
85 HB2 TYR 13 1HB TYR 13 -5.916 -1.241 -0.232
86 HB3 TYR 13 2HB TYR 13 -5.377 -0.611 -1.784
87 HD1 TYR 13 HD1 TYR 13 -6.950 -0.564 -3.709
88 HD2 TYR 13 HD2 TYR 13 -8.223 -1.638 0.206
89 HE1 TYR 13 HE1 TYR 13 -9.288 -0.181 -4.371
90 HE2 TYR 13 HE2 TYR 13 -10.565 -1.260 -0.445
91 HH TYR 13 HH TYR 13 -11.633 -1.131 -3.476
92 H GLU 14 H GLU 14 -3.326 -2.997 -3.025
93 HA GLU 14 HA GLU 14 -1.636 -3.330 -0.636
94 HB2 GLU 14 1HB GLU 14 -1.605 -4.612 -3.321
95 HB3 GLU 14 2HB GLU 14 -0.055 -4.313 -2.547
96 HG2 GLU 14 1HG GLU 14 -0.544 -6.450 -1.857
97 HG3 GLU 14 2HG GLU 14 -1.121 -5.481 -0.503
98 H CYS 15 H CYS 15 0.050 -1.990 -0.322
99 HA CYS 15 HA CYS 15 0.243 0.363 -1.958
100 HB2 CYS 15 1HB CYS 15 0.482 0.628 0.420
101 HB3 CYS 15 2HB CYS 15 1.781 -0.559 0.473
102 H SER 16 H SER 16 1.927 1.011 -3.258
103 HA SER 16 HA SER 16 3.740 -1.134 -4.108
104 HB2 SER 16 1HB SER 16 2.209 -0.012 -5.786
105 HB3 SER 16 2HB SER 16 3.168 1.452 -5.565
106 HG SER 16 HG SER 16 4.496 -0.940 -6.148
107 H LYS 17 H LYS 17 4.252 0.371 -1.716
108 HA LYS 17 HA LYS 17 6.814 1.587 -2.488
109 HB2 LYS 17 1HB LYS 17 4.919 2.662 -0.390
110 HB3 LYS 17 2HB LYS 17 6.525 3.292 -0.734
111 HG2 LYS 17 1HG LYS 17 4.579 3.139 -2.971
112 HG3 LYS 17 2HG LYS 17 4.351 4.388 -1.745
113 HD2 LYS 17 1HD LYS 17 7.002 3.955 -3.090
114 HD3 LYS 17 2HD LYS 17 5.756 4.981 -3.803
115 HE2 LYS 17 1HE LYS 17 5.956 6.582 -2.186
116 HE3 LYS 17 2HE LYS 17 6.464 5.429 -0.953
117 HZ1 LYS 17 3HZ LYS 17 8.339 5.698 -3.115
118 HZ2 LYS 17 1HZ LYS 17 8.601 5.744 -1.445
119 HZ3 LYS 17 2HZ LYS 17 8.099 7.138 -2.261
120 H CYS 18 H CYS 18 4.880 -0.031 -0.035
121 HA CYS 18 HA CYS 18 7.366 -1.063 1.145
122 HB2 CYS 18 1HB CYS 18 6.371 -0.896 3.390
123 HB3 CYS 18 2HB CYS 18 6.527 0.686 2.633
124 H GLN 19 H GLN 19 4.684 -1.811 -0.492
125 HA GLN 19 HA GLN 19 3.557 -3.741 -0.916
126 HB2 GLN 19 1HB GLN 19 5.987 -4.690 0.511
127 HB3 GLN 19 2HB GLN 19 4.659 -5.830 0.334
128 HG2 GLN 19 1HG GLN 19 4.714 -5.211 -2.150
129 HG3 GLN 19 2HG GLN 19 6.291 -4.507 -1.798
130 HE21 GLN 19 1HE2 GLN 19 7.088 -6.089 -3.316
131 HE22 GLN 19 2HE2 GLN 19 7.400 -7.702 -2.783
132 H ALA 20 H ALA 20 2.683 -2.080 1.210
133 HA ALA 20 HA ALA 20 1.880 -3.830 3.380
134 HB1 ALA 20 3HB ALA 20 0.521 -1.576 3.879
135 HB2 ALA 20 1HB ALA 20 2.214 -1.801 4.322
136 HB3 ALA 20 2HB ALA 20 1.795 -0.925 2.849
137 H THR 21 H THR 21 -0.445 -3.855 4.047
138 HA THR 21 HA THR 21 -2.175 -4.092 1.672
139 HB THR 21 HB THR 21 -3.481 -5.759 3.053
140 HG1 THR 21 HG1 THR 21 -2.843 -6.085 5.036
141 HG21 THR 21 3HG2 THR 21 -0.924 -7.103 2.896
142 HG22 THR 21 1HG2 THR 21 -1.204 -6.089 1.482
143 HG23 THR 21 2HG2 THR 21 -2.374 -7.333 1.920
144 H PHE 22 H PHE 22 -4.414 -3.581 1.928
145 HA PHE 22 HA PHE 22 -5.198 -2.136 4.331
146 HB2 PHE 22 1HB PHE 22 -5.168 -0.869 1.586
147 HB3 PHE 22 2HB PHE 22 -5.992 -0.188 2.984
148 HD1 PHE 22 HD1 PHE 22 -2.753 -0.866 1.433
149 HD2 PHE 22 HD2 PHE 22 -4.751 0.815 4.795
150 HE1 PHE 22 HE1 PHE 22 -0.674 0.271 2.096
151 HE2 PHE 22 HE2 PHE 22 -2.675 1.955 5.462
152 HZ PHE 22 HZ PHE 22 -0.634 1.685 4.112
153 H ASN 23 H ASN 23 -7.531 -1.534 4.273
154 HA ASN 23 HA ASN 23 -9.038 -3.651 2.919
155 HB2 ASN 23 1HB ASN 23 -9.357 -3.633 5.302
156 HB3 ASN 23 2HB ASN 23 -9.704 -1.906 5.295
157 HD21 ASN 23 1HD2 ASN 23 -11.752 -1.324 5.267
158 HD22 ASN 23 2HD2 ASN 23 -13.085 -2.329 4.819
159 H LEU 24 H LEU 24 -9.079 -0.155 3.494
160 HA LEU 24 HA LEU 24 -11.106 0.131 1.387
161 HB2 LEU 24 1HB LEU 24 -10.195 2.023 3.546
162 HB3 LEU 24 2HB LEU 24 -11.326 2.461 2.268
163 HG LEU 24 HG LEU 24 -11.974 0.125 4.000
164 HD11 LEU 24 1HD1 LEU 24 -11.211 2.333 5.291
165 HD12 LEU 24 2HD1 LEU 24 -12.533 1.307 5.847
166 HD13 LEU 24 3HD1 LEU 24 -12.881 2.778 4.939
167 HD21 LEU 24 3HD2 LEU 24 -13.493 2.242 2.504
168 HD22 LEU 24 1HD2 LEU 24 -14.266 1.181 3.682
169 HD23 LEU 24 2HD2 LEU 24 -13.497 0.497 2.249
170 H ARG 25 H ARG 25 -10.804 1.578 -0.325
171 HA ARG 25 HA ARG 25 -8.171 1.736 -1.337
172 HB2 ARG 25 1HB ARG 25 -10.434 1.717 -2.599
173 HB3 ARG 25 2HB ARG 25 -10.428 3.454 -2.327
174 HG2 ARG 25 1HG ARG 25 -8.519 3.769 -3.647
175 HG3 ARG 25 2HG ARG 25 -8.115 2.052 -3.620
176 HD2 ARG 25 1HD ARG 25 -9.015 2.563 -5.774
177 HD3 ARG 25 2HD ARG 25 -10.212 1.613 -4.895
178 HE ARG 25 HE ARG 25 -10.738 4.339 -4.492
179 HH11 ARG 25 1HH1 ARG 25 -10.838 1.937 -7.010
180 HH12 ARG 25 2HH1 ARG 25 -12.123 2.711 -7.877
181 HH21 ARG 25 1HH2 ARG 25 -12.430 5.367 -5.625
182 HH22 ARG 25 2HH2 ARG 25 -13.028 4.662 -7.089
183 H LYS 26 H LYS 26 -10.367 4.241 -0.084
184 HA LYS 26 HA LYS 26 -8.865 6.492 -0.410
185 HB2 LYS 26 1HB LYS 26 -9.963 7.390 1.606
186 HB3 LYS 26 2HB LYS 26 -11.095 6.544 0.559
187 HG2 LYS 26 1HG LYS 26 -10.854 4.548 2.035
188 HG3 LYS 26 2HG LYS 26 -9.894 5.545 3.131
189 HD2 LYS 26 1HD LYS 26 -12.554 6.566 2.278
190 HD3 LYS 26 2HD LYS 26 -12.508 5.241 3.443
191 HE2 LYS 26 1HE LYS 26 -12.460 7.036 4.863
192 HE3 LYS 26 2HE LYS 26 -10.732 6.779 4.625
193 HZ1 LYS 26 3HZ LYS 26 -10.642 8.550 3.079
194 HZ2 LYS 26 1HZ LYS 26 -11.498 9.131 4.418
195 HZ3 LYS 26 2HZ LYS 26 -12.327 8.688 3.012
196 H HIS 27 H HIS 27 -8.593 4.168 2.263
197 HA HIS 27 HA HIS 27 -6.672 5.426 3.792
198 HB2 HIS 27 1HB HIS 27 -7.369 2.560 3.308
199 HB3 HIS 27 2HB HIS 27 -5.912 2.931 4.225
200 HD1 HIS 27 HD1 HIS 27 -9.553 4.064 4.326
201 HD2 HIS 27 HD2 HIS 27 -6.431 3.029 6.865
202 HE1 HIS 27 HE1 HIS 27 -10.495 4.229 6.652
203 H LEU 28 H LEU 28 -6.185 3.280 1.006
204 HA LEU 28 HA LEU 28 -3.365 3.323 1.075
205 HB2 LEU 28 1HB LEU 28 -4.282 1.592 -0.169
206 HB3 LEU 28 2HB LEU 28 -5.406 2.660 -1.008
207 HG LEU 28 HG LEU 28 -3.256 3.641 -2.094
208 HD11 LEU 28 1HD1 LEU 28 -1.669 2.467 -0.663
209 HD12 LEU 28 2HD1 LEU 28 -1.461 2.010 -2.353
210 HD13 LEU 28 3HD1 LEU 28 -2.284 0.917 -1.240
211 HD21 LEU 28 3HD2 LEU 28 -4.628 1.058 -2.726
212 HD22 LEU 28 1HD2 LEU 28 -3.311 1.643 -3.743
213 HD23 LEU 28 2HD2 LEU 28 -4.762 2.623 -3.529
214 H ILE 29 H ILE 29 -5.598 5.033 -1.124
215 HA ILE 29 HA ILE 29 -3.974 6.562 -2.598
216 HB ILE 29 HB ILE 29 -6.432 7.572 -1.164
217 HG12 ILE 29 1HG1 ILE 29 -6.162 6.601 -4.010
218 HG13 ILE 29 2HG1 ILE 29 -6.634 5.546 -2.683
219 HG21 ILE 29 1HG2 ILE 29 -5.045 9.420 -1.960
220 HG22 ILE 29 2HG2 ILE 29 -5.023 8.710 -3.573
221 HG23 ILE 29 3HG2 ILE 29 -6.539 9.293 -2.888
222 HD11 ILE 29 3HD1 ILE 29 -8.463 7.351 -2.272
223 HD12 ILE 29 1HD1 ILE 29 -8.133 7.785 -3.949
224 HD13 ILE 29 2HD1 ILE 29 -8.667 6.152 -3.549
225 H GLN 30 H GLN 30 -4.712 7.152 0.807
226 HA GLN 30 HA GLN 30 -3.127 9.552 0.916
227 HB2 GLN 30 1HB GLN 30 -5.178 8.876 2.377
228 HB3 GLN 30 2HB GLN 30 -3.989 8.005 3.336
229 HG2 GLN 30 1HG GLN 30 -2.718 10.239 3.400
230 HG3 GLN 30 2HG GLN 30 -4.246 10.949 2.881
231 HE21 GLN 30 1HE2 GLN 30 -2.984 11.548 5.303
232 HE22 GLN 30 2HE2 GLN 30 -3.987 10.989 6.594
233 H HIS 31 H HIS 31 -2.816 6.274 2.276
234 HA HIS 31 HA HIS 31 -0.430 6.457 3.575
235 HB2 HIS 31 1HB HIS 31 -1.727 4.400 3.540
236 HB3 HIS 31 2HB HIS 31 -1.379 4.177 1.828
237 HD1 HIS 31 HD1 HIS 31 0.230 3.955 5.214
238 HD2 HIS 31 HD2 HIS 31 1.086 3.041 1.252
239 HE1 HIS 31 HE1 HIS 31 2.323 2.563 5.282
240 H GLN 32 H GLN 32 -0.965 6.747 0.191
241 HA GLN 32 HA GLN 32 1.710 6.144 -0.636
242 HB2 GLN 32 1HB GLN 32 -0.719 7.291 -1.948
243 HB3 GLN 32 2HB GLN 32 0.841 7.476 -2.737
244 HG2 GLN 32 1HG GLN 32 1.132 5.028 -2.663
245 HG3 GLN 32 2HG GLN 32 -0.481 4.885 -1.966
246 HE21 GLN 32 1HE2 GLN 32 -2.252 5.851 -3.263
247 HE22 GLN 32 2HE2 GLN 32 -2.170 5.691 -4.981
248 H LYS 33 H LYS 33 -0.143 9.169 -0.314
249 HA LYS 33 HA LYS 33 1.984 10.897 -0.941
250 HB2 LYS 33 1HB LYS 33 0.579 12.644 -0.304
251 HB3 LYS 33 2HB LYS 33 -0.553 11.381 -0.768
252 HG2 LYS 33 1HG LYS 33 -1.042 10.862 1.490
253 HG3 LYS 33 2HG LYS 33 0.304 11.843 2.076
254 HD2 LYS 33 1HD LYS 33 -1.588 13.170 2.453
255 HD3 LYS 33 2HD LYS 33 -0.895 13.815 0.963
256 HE2 LYS 33 1HE LYS 33 -2.932 11.660 0.746
257 HE3 LYS 33 2HE LYS 33 -3.480 13.276 1.191
258 HZ1 LYS 33 3HZ LYS 33 -2.009 12.495 -1.264
259 HZ2 LYS 33 1HZ LYS 33 -2.284 14.101 -0.809
260 HZ3 LYS 33 2HZ LYS 33 -3.591 13.086 -1.159
261 H THR 34 H THR 34 1.037 9.329 2.030
262 HA THR 34 HA THR 34 2.513 10.908 3.836
263 HB THR 34 HB THR 34 2.215 9.176 5.437
264 HG1 THR 34 HG1 THR 34 1.323 7.073 4.487
265 HG21 THR 34 3HG2 THR 34 0.075 10.062 3.800
266 HG22 THR 34 1HG2 THR 34 0.024 9.570 5.492
267 HG23 THR 34 2HG2 THR 34 -0.234 8.377 4.218
268 H HIS 35 H HIS 35 3.445 8.404 1.626
269 HA HIS 35 HA HIS 35 5.913 7.711 2.855
270 HB2 HIS 35 1HB HIS 35 4.623 7.230 0.217
271 HB3 HIS 35 2HB HIS 35 6.371 7.035 0.308
272 HD1 HIS 35 HD1 HIS 35 6.799 5.619 2.896
273 HD2 HIS 35 HD2 HIS 35 3.603 4.738 0.392
274 HE1 HIS 35 HE1 HIS 35 6.095 3.282 3.502
275 H ALA 36 H ALA 36 4.933 10.155 0.537
276 HA ALA 36 HA ALA 36 7.604 10.948 -0.139
277 HB1 ALA 36 3HB ALA 36 4.964 12.335 -0.583
278 HB2 ALA 36 1HB ALA 36 6.508 12.850 -1.262
279 HB3 ALA 36 2HB ALA 36 5.814 11.296 -1.726
280 H ALA 37 H ALA 37 8.238 13.316 0.161
281 HA ALA 37 HA ALA 37 8.928 14.968 1.565
282 HB1 ALA 37 3HB ALA 37 6.131 14.535 2.574
283 HB2 ALA 37 1HB ALA 37 7.191 15.784 3.227
284 HB3 ALA 37 2HB ALA 37 6.733 15.817 1.524
285 H LYS 38 H LYS 38 9.875 12.448 2.189
286 HA LYS 38 HA LYS 38 10.341 12.751 5.047
287 HB2 LYS 38 1HB LYS 38 8.421 11.151 4.767
288 HB3 LYS 38 2HB LYS 38 9.514 10.083 3.896
289 HG2 LYS 38 1HG LYS 38 10.982 10.228 6.009
290 HG3 LYS 38 2HG LYS 38 9.518 10.829 6.791
291 HD2 LYS 38 1HD LYS 38 9.592 8.266 5.215
292 HD3 LYS 38 2HD LYS 38 9.931 8.333 6.946
293 HE2 LYS 38 1HE LYS 38 7.763 8.825 7.490
294 HE3 LYS 38 2HE LYS 38 7.441 9.618 5.949
295 HZ1 LYS 38 3HZ LYS 38 7.761 7.199 5.051
296 HZ2 LYS 38 1HZ LYS 38 6.275 7.692 5.691
297 HZ3 LYS 38 2HZ LYS 38 7.336 6.770 6.631
298 H SER 39 H SER 39 12.438 12.543 5.468
299 HA SER 39 HA SER 39 14.171 11.409 3.403
300 HB2 SER 39 1HB SER 39 14.722 13.660 4.196
301 HB3 SER 39 2HB SER 39 14.847 13.060 5.850
302 HG SER 39 HG SER 39 16.702 13.058 3.913
303 H GLY 40 H GLY 40 14.618 9.316 3.597
304 HA2 GLY 40 1HA GLY 40 14.177 7.570 5.589
305 HA3 GLY 40 2HA GLY 40 15.584 7.430 4.545
306 HA PRO 41 HA PRO 41 18.305 8.094 7.909
307 HB2 PRO 41 1HB PRO 41 20.204 9.737 6.876
308 HB3 PRO 41 2HB PRO 41 20.052 8.037 6.418
309 HG2 PRO 41 1HG PRO 41 19.081 10.479 4.985
310 HG3 PRO 41 2HG PRO 41 19.877 9.038 4.326
311 HD2 PRO 41 1HD PRO 41 17.199 9.413 4.190
312 HD3 PRO 41 2HD PRO 41 17.931 7.802 4.339
313 H SER 42 H SER 42 17.458 9.200 9.587
314 HA SER 42 HA SER 42 16.505 11.837 9.513
315 HB2 SER 42 1HB SER 42 15.977 10.088 11.260
316 HB3 SER 42 2HB SER 42 17.557 10.421 11.969
317 HG SER 42 HG SER 42 15.612 12.429 11.512
318 H SER 43 H SER 43 17.365 13.735 10.561
319 HA SER 43 HA SER 43 20.291 13.790 10.803
320 HB2 SER 43 1HB SER 43 18.586 15.368 8.938
321 HB3 SER 43 2HB SER 43 19.947 16.196 9.696
322 HG SER 43 HG SER 43 21.305 14.557 8.866
323 H GLY 44 H GLY 44 21.123 15.418 12.168
324 HA2 GLY 44 1HA GLY 44 21.057 17.056 13.811
325 HA3 GLY 44 2HA GLY 44 19.330 17.225 13.531
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 -22.094 -23.969 -20.881
2 HA2 GLY 1 1HA GLY 1 -20.389 -26.003 -20.892
3 HA3 GLY 1 2HA GLY 1 -19.852 -24.400 -21.374
4 H SER 2 H SER 2 -17.861 -24.185 -20.569
5 HA SER 2 HA SER 2 -17.379 -25.002 -17.786
6 HB2 SER 2 1HB SER 2 -15.035 -25.114 -18.331
7 HB3 SER 2 2HB SER 2 -15.922 -25.982 -19.584
8 HG SER 2 HG SER 2 -15.698 -24.185 -20.927
9 H SER 3 H SER 3 -16.698 -23.568 -16.272
10 HA SER 3 HA SER 3 -16.470 -20.754 -17.122
11 HB2 SER 3 1HB SER 3 -17.721 -21.955 -14.653
12 HB3 SER 3 2HB SER 3 -17.279 -20.251 -14.748
13 HG SER 3 HG SER 3 -18.591 -20.410 -16.831
14 H GLY 4 H GLY 4 -14.962 -19.430 -16.042
15 HA2 GLY 4 1HA GLY 4 -12.916 -20.921 -14.515
16 HA3 GLY 4 2HA GLY 4 -12.497 -19.729 -15.737
17 H SER 5 H SER 5 -13.417 -20.265 -12.471
18 HA SER 5 HA SER 5 -14.140 -17.603 -11.798
19 HB2 SER 5 1HB SER 5 -13.323 -20.022 -10.215
20 HB3 SER 5 2HB SER 5 -13.504 -18.458 -9.420
21 HG SER 5 HG SER 5 -15.592 -18.643 -9.572
22 H SER 6 H SER 6 -12.558 -16.250 -12.688
23 HA SER 6 HA SER 6 -9.969 -16.308 -11.280
24 HB2 SER 6 1HB SER 6 -9.718 -16.861 -13.673
25 HB3 SER 6 2HB SER 6 -10.500 -15.339 -14.100
26 HG SER 6 HG SER 6 -7.944 -15.814 -13.090
27 H GLY 7 H GLY 7 -11.256 -14.993 -9.710
28 HA2 GLY 7 1HA GLY 7 -10.504 -12.401 -9.566
29 HA3 GLY 7 2HA GLY 7 -11.977 -12.313 -10.521
30 H HIS 8 H HIS 8 -10.630 -13.181 -7.397
31 HA HIS 8 HA HIS 8 -12.837 -14.063 -6.031
32 HB2 HIS 8 1HB HIS 8 -10.524 -12.348 -5.152
33 HB3 HIS 8 2HB HIS 8 -11.777 -12.849 -4.019
34 HD1 HIS 8 HD1 HIS 8 -11.849 -15.346 -3.357
35 HD2 HIS 8 HD2 HIS 8 -8.766 -14.368 -5.965
36 HE1 HIS 8 HE1 HIS 8 -10.306 -17.332 -3.350
37 H THR 9 H THR 9 -13.970 -12.736 -4.230
38 HA THR 9 HA THR 9 -15.760 -10.973 -5.413
39 HB THR 9 HB THR 9 -16.366 -10.298 -3.066
40 HG1 THR 9 HG1 THR 9 -14.569 -12.285 -2.179
41 HG21 THR 9 3HG2 THR 9 -16.917 -12.727 -2.370
42 HG22 THR 9 1HG2 THR 9 -16.190 -13.170 -3.914
43 HG23 THR 9 2HG2 THR 9 -17.597 -12.106 -3.874
44 H ARG 10 H ARG 10 -13.138 -10.153 -3.132
45 HA ARG 10 HA ARG 10 -12.795 -7.603 -4.524
46 HB2 ARG 10 1HB ARG 10 -14.348 -7.285 -2.566
47 HB3 ARG 10 2HB ARG 10 -13.020 -7.763 -1.517
48 HG2 ARG 10 1HG ARG 10 -12.592 -5.542 -3.451
49 HG3 ARG 10 2HG ARG 10 -13.532 -5.240 -1.987
50 HD2 ARG 10 1HD ARG 10 -10.798 -6.500 -1.967
51 HD3 ARG 10 2HD ARG 10 -11.060 -4.762 -1.828
52 HE ARG 10 HE ARG 10 -11.457 -6.735 0.210
53 HH11 ARG 10 1HH1 ARG 10 -12.472 -3.614 -0.952
54 HH12 ARG 10 2HH1 ARG 10 -13.003 -3.063 0.602
55 HH21 ARG 10 1HH2 ARG 10 -12.152 -6.020 2.261
56 HH22 ARG 10 2HH2 ARG 10 -12.819 -4.432 2.429
57 H LYS 11 H LYS 11 -10.724 -7.377 -5.012
58 HA LYS 11 HA LYS 11 -8.716 -8.989 -3.695
59 HB2 LYS 11 1HB LYS 11 -8.475 -6.972 -5.935
60 HB3 LYS 11 2HB LYS 11 -7.182 -8.026 -5.378
61 HG2 LYS 11 1HG LYS 11 -8.322 -9.965 -6.140
62 HG3 LYS 11 2HG LYS 11 -9.796 -9.048 -6.456
63 HD2 LYS 11 1HD LYS 11 -7.212 -8.409 -7.847
64 HD3 LYS 11 2HD LYS 11 -8.309 -9.650 -8.456
65 HE2 LYS 11 1HE LYS 11 -10.117 -7.956 -8.508
66 HE3 LYS 11 2HE LYS 11 -8.945 -6.734 -8.016
67 HZ1 LYS 11 3HZ LYS 11 -9.403 -7.885 -10.603
68 HZ2 LYS 11 1HZ LYS 11 -7.770 -7.915 -10.159
69 HZ3 LYS 11 2HZ LYS 11 -8.613 -6.449 -10.185
70 H ARG 12 H ARG 12 -7.813 -8.341 -1.862
71 HA ARG 12 HA ARG 12 -8.007 -5.844 -0.698
72 HB2 ARG 12 1HB ARG 12 -6.352 -6.555 0.860
73 HB3 ARG 12 2HB ARG 12 -7.263 -7.988 0.401
74 HG2 ARG 12 1HG ARG 12 -5.493 -8.700 -1.068
75 HG3 ARG 12 2HG ARG 12 -4.599 -7.209 -0.765
76 HD2 ARG 12 1HD ARG 12 -4.201 -7.806 1.497
77 HD3 ARG 12 2HD ARG 12 -5.348 -9.143 1.415
78 HE ARG 12 HE ARG 12 -3.495 -9.776 -0.462
79 HH11 ARG 12 1HH1 ARG 12 -3.323 -8.930 2.910
80 HH12 ARG 12 2HH1 ARG 12 -1.905 -9.879 3.210
81 HH21 ARG 12 1HH2 ARG 12 -1.628 -11.028 -0.080
82 HH22 ARG 12 2HH2 ARG 12 -0.941 -11.071 1.508
83 H TYR 13 H TYR 13 -6.964 -3.950 -0.881
84 HA TYR 13 HA TYR 13 -5.262 -3.500 -3.121
85 HB2 TYR 13 1HB TYR 13 -5.649 -1.567 -0.845
86 HB3 TYR 13 2HB TYR 13 -5.345 -1.213 -2.543
87 HD1 TYR 13 HD2 TYR 13 -7.891 -2.389 -0.139
88 HD2 TYR 13 HD1 TYR 13 -7.132 -1.050 -4.106
89 HE1 TYR 13 HE2 TYR 13 -10.310 -2.163 -0.519
90 HE2 TYR 13 HE1 TYR 13 -9.550 -0.820 -4.497
91 HH TYR 13 HH TYR 13 -11.642 -0.427 -2.903
92 H GLU 14 H GLU 14 -3.087 -3.134 -3.220
93 HA GLU 14 HA GLU 14 -1.559 -3.468 -0.725
94 HB2 GLU 14 1HB GLU 14 -1.329 -4.926 -3.308
95 HB3 GLU 14 2HB GLU 14 0.163 -4.530 -2.468
96 HG2 GLU 14 1HG GLU 14 -0.488 -5.769 -0.551
97 HG3 GLU 14 2HG GLU 14 -2.127 -5.975 -1.167
98 H CYS 15 H CYS 15 0.423 -2.370 -0.597
99 HA CYS 15 HA CYS 15 0.549 0.001 -2.281
100 HB2 CYS 15 1HB CYS 15 0.804 -0.162 0.342
101 HB3 CYS 15 2HB CYS 15 2.480 -0.519 -0.057
102 H SER 16 H SER 16 2.039 0.366 -3.807
103 HA SER 16 HA SER 16 3.969 -1.752 -4.359
104 HB2 SER 16 1HB SER 16 4.205 -0.727 -6.553
105 HB3 SER 16 2HB SER 16 2.493 -0.931 -6.182
106 HG SER 16 HG SER 16 2.331 1.125 -6.529
107 H LYS 17 H LYS 17 4.342 0.152 -2.150
108 HA LYS 17 HA LYS 17 6.972 1.171 -2.967
109 HB2 LYS 17 1HB LYS 17 4.993 2.912 -2.702
110 HB3 LYS 17 2HB LYS 17 5.375 2.742 -0.994
111 HG2 LYS 17 1HG LYS 17 7.522 3.341 -2.991
112 HG3 LYS 17 2HG LYS 17 6.499 4.623 -2.337
113 HD2 LYS 17 1HD LYS 17 7.221 4.169 -0.111
114 HD3 LYS 17 2HD LYS 17 8.034 2.685 -0.614
115 HE2 LYS 17 1HE LYS 17 8.797 5.446 -1.554
116 HE3 LYS 17 2HE LYS 17 9.567 4.610 -0.207
117 HZ1 LYS 17 3HZ LYS 17 10.785 3.396 -1.595
118 HZ2 LYS 17 1HZ LYS 17 10.297 4.446 -2.828
119 HZ3 LYS 17 2HZ LYS 17 9.459 3.001 -2.568
120 H CYS 18 H CYS 18 4.822 0.308 -0.288
121 HA CYS 18 HA CYS 18 7.205 -0.480 1.258
122 HB2 CYS 18 1HB CYS 18 6.050 0.090 3.295
123 HB3 CYS 18 2HB CYS 18 5.983 1.478 2.213
124 H GLN 19 H GLN 19 4.655 -1.633 -0.444
125 HA GLN 19 HA GLN 19 3.583 -3.635 -0.581
126 HB2 GLN 19 1HB GLN 19 5.758 -4.623 1.268
127 HB3 GLN 19 2HB GLN 19 4.765 -5.598 0.192
128 HG2 GLN 19 1HG GLN 19 5.777 -4.519 -1.740
129 HG3 GLN 19 2HG GLN 19 6.754 -3.512 -0.673
130 HE21 GLN 19 1HE2 GLN 19 8.241 -4.751 -2.333
131 HE22 GLN 19 2HE2 GLN 19 8.989 -6.165 -1.682
132 H ALA 20 H ALA 20 2.254 -2.060 1.040
133 HA ALA 20 HA ALA 20 1.722 -3.595 3.494
134 HB1 ALA 20 3HB ALA 20 2.109 -1.489 4.280
135 HB2 ALA 20 1HB ALA 20 1.513 -0.711 2.813
136 HB3 ALA 20 2HB ALA 20 0.374 -1.374 3.985
137 H THR 21 H THR 21 -0.595 -3.610 4.194
138 HA THR 21 HA THR 21 -2.360 -3.949 1.856
139 HB THR 21 HB THR 21 -3.581 -5.655 3.157
140 HG1 THR 21 HG1 THR 21 -1.439 -5.654 5.009
141 HG21 THR 21 3HG2 THR 21 -1.025 -6.918 3.419
142 HG22 THR 21 1HG2 THR 21 -1.029 -5.904 1.976
143 HG23 THR 21 2HG2 THR 21 -2.256 -7.155 2.179
144 H PHE 22 H PHE 22 -4.419 -3.135 1.937
145 HA PHE 22 HA PHE 22 -5.237 -1.735 4.386
146 HB2 PHE 22 1HB PHE 22 -5.194 -0.593 1.589
147 HB3 PHE 22 2HB PHE 22 -6.099 0.129 2.915
148 HD1 PHE 22 HD2 PHE 22 -4.943 1.178 4.786
149 HD2 PHE 22 HD1 PHE 22 -2.804 -0.440 1.480
150 HE1 PHE 22 HE2 PHE 22 -2.934 2.414 5.485
151 HE2 PHE 22 HE1 PHE 22 -0.792 0.794 2.175
152 HZ PHE 22 HZ PHE 22 -0.855 2.224 4.179
153 H ASN 23 H ASN 23 -7.455 -1.597 4.734
154 HA ASN 23 HA ASN 23 -9.007 -3.661 3.487
155 HB2 ASN 23 1HB ASN 23 -10.158 -1.576 5.318
156 HB3 ASN 23 2HB ASN 23 -10.606 -3.271 5.150
157 HD21 ASN 23 1HD2 ASN 23 -8.524 -4.723 5.537
158 HD22 ASN 23 2HD2 ASN 23 -7.727 -4.392 7.033
159 H LEU 24 H LEU 24 -9.112 -0.116 3.542
160 HA LEU 24 HA LEU 24 -11.099 -0.191 1.376
161 HB2 LEU 24 1HB LEU 24 -10.315 2.128 3.135
162 HB3 LEU 24 2HB LEU 24 -11.622 2.102 1.952
163 HG LEU 24 HG LEU 24 -12.492 0.128 3.480
164 HD11 LEU 24 1HD1 LEU 24 -11.876 0.182 5.699
165 HD12 LEU 24 2HD1 LEU 24 -11.233 1.820 5.593
166 HD13 LEU 24 3HD1 LEU 24 -10.335 0.474 4.893
167 HD21 LEU 24 3HD2 LEU 24 -13.377 2.546 2.962
168 HD22 LEU 24 1HD2 LEU 24 -12.866 2.854 4.621
169 HD23 LEU 24 2HD2 LEU 24 -14.057 1.597 4.284
170 H ARG 25 H ARG 25 -10.881 1.548 -0.280
171 HA ARG 25 HA ARG 25 -8.221 1.501 -1.361
172 HB2 ARG 25 1HB ARG 25 -10.364 1.324 -2.703
173 HB3 ARG 25 2HB ARG 25 -10.586 3.045 -2.419
174 HG2 ARG 25 1HG ARG 25 -8.241 3.304 -3.438
175 HG3 ARG 25 2HG ARG 25 -8.487 1.663 -4.040
176 HD2 ARG 25 1HD ARG 25 -10.621 2.445 -5.072
177 HD3 ARG 25 2HD ARG 25 -10.187 4.087 -4.598
178 HE ARG 25 HE ARG 25 -8.091 2.905 -6.084
179 HH11 ARG 25 1HH1 ARG 25 -11.276 4.263 -6.445
180 HH12 ARG 25 2HH1 ARG 25 -11.018 4.765 -8.083
181 HH21 ARG 25 1HH2 ARG 25 -7.740 3.561 -8.240
182 HH22 ARG 25 2HH2 ARG 25 -9.007 4.364 -9.103
183 H LYS 26 H LYS 26 -10.463 4.173 -0.602
184 HA LYS 26 HA LYS 26 -8.892 6.337 -0.962
185 HB2 LYS 26 1HB LYS 26 -10.147 7.476 0.784
186 HB3 LYS 26 2HB LYS 26 -11.216 6.437 -0.149
187 HG2 LYS 26 1HG LYS 26 -11.089 4.742 1.626
188 HG3 LYS 26 2HG LYS 26 -10.067 5.830 2.568
189 HD2 LYS 26 1HD LYS 26 -11.993 7.519 2.311
190 HD3 LYS 26 2HD LYS 26 -12.964 6.122 1.842
191 HE2 LYS 26 1HE LYS 26 -13.319 6.334 4.145
192 HE3 LYS 26 2HE LYS 26 -12.129 5.041 4.001
193 HZ1 LYS 26 3HZ LYS 26 -10.769 6.197 5.285
194 HZ2 LYS 26 1HZ LYS 26 -11.913 7.435 5.427
195 HZ3 LYS 26 2HZ LYS 26 -10.768 7.481 4.183
196 H HIS 27 H HIS 27 -8.783 4.174 1.835
197 HA HIS 27 HA HIS 27 -7.040 5.547 3.472
198 HB2 HIS 27 1HB HIS 27 -7.544 2.631 3.010
199 HB3 HIS 27 2HB HIS 27 -6.231 3.123 4.076
200 HD1 HIS 27 HD1 HIS 27 -6.959 3.050 6.425
201 HD2 HIS 27 HD2 HIS 27 -10.040 4.240 3.904
202 HE1 HIS 27 HE1 HIS 27 -8.932 3.470 7.926
203 H LEU 28 H LEU 28 -6.210 3.247 0.885
204 HA LEU 28 HA LEU 28 -3.447 3.337 1.131
205 HB2 LEU 28 1HB LEU 28 -4.346 1.698 -0.280
206 HB3 LEU 28 2HB LEU 28 -5.262 2.880 -1.212
207 HG LEU 28 HG LEU 28 -3.006 3.742 -2.028
208 HD11 LEU 28 1HD1 LEU 28 -1.969 2.127 -0.126
209 HD12 LEU 28 2HD1 LEU 28 -1.086 2.677 -1.550
210 HD13 LEU 28 3HD1 LEU 28 -1.846 1.086 -1.545
211 HD21 LEU 28 3HD2 LEU 28 -2.822 1.413 -3.413
212 HD22 LEU 28 1HD2 LEU 28 -3.982 2.697 -3.758
213 HD23 LEU 28 2HD2 LEU 28 -4.466 1.311 -2.780
214 H ILE 29 H ILE 29 -5.408 5.182 -1.215
215 HA ILE 29 HA ILE 29 -3.506 6.777 -2.320
216 HB ILE 29 HB ILE 29 -6.290 7.614 -1.503
217 HG12 ILE 29 1HG1 ILE 29 -6.531 7.267 -4.097
218 HG13 ILE 29 2HG1 ILE 29 -5.114 6.244 -3.893
219 HG21 ILE 29 1HG2 ILE 29 -4.298 8.932 -3.335
220 HG22 ILE 29 2HG2 ILE 29 -6.018 9.317 -3.322
221 HG23 ILE 29 3HG2 ILE 29 -5.040 9.604 -1.883
222 HD11 ILE 29 3HD1 ILE 29 -6.304 4.598 -2.984
223 HD12 ILE 29 1HD1 ILE 29 -7.217 5.701 -1.956
224 HD13 ILE 29 2HD1 ILE 29 -7.709 5.445 -3.630
225 H GLN 30 H GLN 30 -5.203 7.396 0.740
226 HA GLN 30 HA GLN 30 -3.908 9.843 1.302
227 HB2 GLN 30 1HB GLN 30 -5.969 9.302 2.417
228 HB3 GLN 30 2HB GLN 30 -5.271 7.843 3.107
229 HG2 GLN 30 1HG GLN 30 -5.382 9.480 4.822
230 HG3 GLN 30 2HG GLN 30 -3.687 9.282 4.377
231 HE21 GLN 30 1HE2 GLN 30 -6.417 11.171 3.113
232 HE22 GLN 30 2HE2 GLN 30 -5.585 12.685 3.105
233 H HIS 31 H HIS 31 -3.141 6.492 2.062
234 HA HIS 31 HA HIS 31 -1.039 7.010 3.876
235 HB2 HIS 31 1HB HIS 31 -1.852 4.821 3.949
236 HB3 HIS 31 2HB HIS 31 -1.820 4.647 2.196
237 HD1 HIS 31 HD1 HIS 31 0.681 5.022 5.041
238 HD2 HIS 31 HD2 HIS 31 0.312 3.243 1.305
239 HE1 HIS 31 HE1 HIS 31 2.791 3.693 4.719
240 H GLN 32 H GLN 32 -1.120 6.572 0.370
241 HA GLN 32 HA GLN 32 1.537 6.371 -0.244
242 HB2 GLN 32 1HB GLN 32 -0.654 7.880 -1.662
243 HB3 GLN 32 2HB GLN 32 0.954 7.680 -2.344
244 HG2 GLN 32 1HG GLN 32 -0.595 5.291 -1.453
245 HG3 GLN 32 2HG GLN 32 -0.947 6.049 -3.005
246 HE21 GLN 32 1HE2 GLN 32 -0.189 3.572 -3.216
247 HE22 GLN 32 2HE2 GLN 32 1.455 3.418 -3.727
248 H LYS 33 H LYS 33 -0.200 9.193 0.860
249 HA LYS 33 HA LYS 33 1.546 11.226 0.164
250 HB2 LYS 33 1HB LYS 33 -0.166 10.895 2.630
251 HB3 LYS 33 2HB LYS 33 0.685 12.383 2.235
252 HG2 LYS 33 1HG LYS 33 -0.684 12.855 0.448
253 HG3 LYS 33 2HG LYS 33 -1.151 11.167 0.225
254 HD2 LYS 33 1HD LYS 33 -2.646 11.224 2.026
255 HD3 LYS 33 2HD LYS 33 -1.925 12.691 2.693
256 HE2 LYS 33 1HE LYS 33 -3.183 12.746 -0.017
257 HE3 LYS 33 2HE LYS 33 -4.200 12.809 1.421
258 HZ1 LYS 33 3HZ LYS 33 -3.831 15.007 1.188
259 HZ2 LYS 33 1HZ LYS 33 -2.376 14.805 0.348
260 HZ3 LYS 33 2HZ LYS 33 -2.408 14.660 2.033
261 H THR 34 H THR 34 1.654 9.052 2.955
262 HA THR 34 HA THR 34 3.751 10.213 4.357
263 HB THR 34 HB THR 34 2.331 8.295 5.147
264 HG1 THR 34 HG1 THR 34 4.546 8.985 5.981
265 HG21 THR 34 3HG2 THR 34 3.382 7.033 2.875
266 HG22 THR 34 1HG2 THR 34 2.363 6.315 4.122
267 HG23 THR 34 2HG2 THR 34 4.119 6.220 4.256
268 H HIS 35 H HIS 35 3.789 8.353 1.426
269 HA HIS 35 HA HIS 35 6.624 7.814 1.526
270 HB2 HIS 35 1HB HIS 35 4.523 7.407 -0.602
271 HB3 HIS 35 2HB HIS 35 6.224 7.029 -0.857
272 HD1 HIS 35 HD1 HIS 35 6.748 5.753 1.961
273 HD2 HIS 35 HD2 HIS 35 3.565 4.835 -0.546
274 HE1 HIS 35 HE1 HIS 35 6.005 3.447 2.635
275 H ALA 36 H ALA 36 5.116 10.599 1.242
276 HA ALA 36 HA ALA 36 5.392 12.562 0.067
277 HB1 ALA 36 3HB ALA 36 7.456 13.476 0.503
278 HB2 ALA 36 1HB ALA 36 7.432 12.130 1.641
279 HB3 ALA 36 2HB ALA 36 8.318 11.985 0.123
280 H ALA 37 H ALA 37 4.781 10.563 -1.742
281 HA ALA 37 HA ALA 37 6.700 10.693 -3.920
282 HB1 ALA 37 3HB ALA 37 5.842 8.696 -4.364
283 HB2 ALA 37 1HB ALA 37 4.583 8.928 -3.150
284 HB3 ALA 37 2HB ALA 37 4.323 9.477 -4.806
285 H LYS 38 H LYS 38 6.567 12.993 -4.259
286 HA LYS 38 HA LYS 38 4.052 14.048 -5.277
287 HB2 LYS 38 1HB LYS 38 5.657 15.317 -3.734
288 HB3 LYS 38 2HB LYS 38 6.683 15.511 -5.149
289 HG2 LYS 38 1HG LYS 38 4.499 16.450 -6.236
290 HG3 LYS 38 2HG LYS 38 4.022 16.709 -4.557
291 HD2 LYS 38 1HD LYS 38 5.713 18.242 -4.177
292 HD3 LYS 38 2HD LYS 38 6.710 17.621 -5.495
293 HE2 LYS 38 1HE LYS 38 5.921 19.651 -6.318
294 HE3 LYS 38 2HE LYS 38 4.830 18.466 -7.034
295 HZ1 LYS 38 3HZ LYS 38 3.715 20.456 -6.086
296 HZ2 LYS 38 1HZ LYS 38 4.223 19.967 -4.548
297 HZ3 LYS 38 2HZ LYS 38 3.167 18.992 -5.439
298 H SER 39 H SER 39 3.857 12.833 -7.198
299 HA SER 39 HA SER 39 5.838 13.473 -9.282
300 HB2 SER 39 1HB SER 39 5.195 11.453 -10.416
301 HB3 SER 39 2HB SER 39 5.488 11.041 -8.727
302 HG SER 39 HG SER 39 3.528 10.319 -8.686
303 H GLY 40 H GLY 40 2.362 13.148 -8.648
304 HA2 GLY 40 1HA GLY 40 1.873 15.211 -10.672
305 HA3 GLY 40 2HA GLY 40 1.039 13.674 -10.847
306 HA PRO 41 HA PRO 41 -0.620 15.937 -6.868
307 HB2 PRO 41 1HB PRO 41 -0.287 18.631 -6.903
308 HB3 PRO 41 2HB PRO 41 0.879 17.528 -6.162
309 HG2 PRO 41 1HG PRO 41 0.957 18.838 -8.853
310 HG3 PRO 41 2HG PRO 41 2.264 18.627 -7.673
311 HD2 PRO 41 1HD PRO 41 1.984 17.027 -9.840
312 HD3 PRO 41 2HD PRO 41 2.646 16.442 -8.300
313 H SER 42 H SER 42 -2.688 16.824 -6.679
314 HA SER 42 HA SER 42 -3.834 18.049 -9.090
315 HB2 SER 42 1HB SER 42 -4.319 15.547 -8.927
316 HB3 SER 42 2HB SER 42 -5.300 15.933 -7.513
317 HG SER 42 HG SER 42 -6.815 16.585 -8.802
318 H SER 43 H SER 43 -6.268 18.658 -8.476
319 HA SER 43 HA SER 43 -7.603 20.094 -7.323
320 HB2 SER 43 1HB SER 43 -7.940 19.682 -5.046
321 HB3 SER 43 2HB SER 43 -7.279 18.152 -5.622
322 HG SER 43 HG SER 43 -6.351 19.203 -3.631
323 H GLY 44 H GLY 44 -5.568 21.360 -8.487
324 HA2 GLY 44 1HA GLY 44 -4.062 22.935 -6.584
325 HA3 GLY 44 2HA GLY 44 -4.032 23.098 -8.334
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 -5.305 -24.184 -18.676
2 HA2 GLY 1 1HA GLY 1 -3.728 -22.535 -16.814
3 HA3 GLY 1 2HA GLY 1 -5.037 -21.804 -17.731
4 H SER 2 H SER 2 -5.239 -21.534 -15.112
5 HA SER 2 HA SER 2 -7.620 -23.014 -14.485
6 HB2 SER 2 1HB SER 2 -6.867 -24.110 -12.495
7 HB3 SER 2 2HB SER 2 -5.735 -24.548 -13.774
8 HG SER 2 HG SER 2 -4.588 -23.955 -11.936
9 H SER 3 H SER 3 -8.777 -22.136 -12.711
10 HA SER 3 HA SER 3 -7.730 -19.568 -11.717
11 HB2 SER 3 1HB SER 3 -10.374 -20.203 -12.966
12 HB3 SER 3 2HB SER 3 -10.301 -18.965 -11.712
13 HG SER 3 HG SER 3 -8.398 -18.833 -13.738
14 H GLY 4 H GLY 4 -10.125 -22.141 -11.170
15 HA2 GLY 4 1HA GLY 4 -10.589 -23.258 -9.187
16 HA3 GLY 4 2HA GLY 4 -9.444 -22.211 -8.362
17 H SER 5 H SER 5 -10.521 -19.718 -9.003
18 HA SER 5 HA SER 5 -13.074 -19.829 -7.536
19 HB2 SER 5 1HB SER 5 -11.122 -18.736 -6.369
20 HB3 SER 5 2HB SER 5 -11.149 -17.499 -7.625
21 HG SER 5 HG SER 5 -13.531 -17.420 -6.934
22 H SER 6 H SER 6 -14.831 -19.148 -8.560
23 HA SER 6 HA SER 6 -14.550 -17.860 -11.155
24 HB2 SER 6 1HB SER 6 -17.043 -18.246 -11.278
25 HB3 SER 6 2HB SER 6 -16.075 -19.711 -11.112
26 HG SER 6 HG SER 6 -17.993 -18.755 -9.488
27 H GLY 7 H GLY 7 -16.310 -17.303 -8.107
28 HA2 GLY 7 1HA GLY 7 -17.459 -14.854 -8.731
29 HA3 GLY 7 2HA GLY 7 -17.009 -15.358 -7.108
30 H HIS 8 H HIS 8 -14.391 -15.355 -6.978
31 HA HIS 8 HA HIS 8 -12.707 -13.875 -6.493
32 HB2 HIS 8 1HB HIS 8 -12.503 -14.612 -9.001
33 HB3 HIS 8 2HB HIS 8 -12.915 -12.932 -9.330
34 HD1 HIS 8 HD1 HIS 8 -10.648 -12.232 -10.218
35 HD2 HIS 8 HD2 HIS 8 -10.462 -13.935 -6.432
36 HE1 HIS 8 HE1 HIS 8 -8.304 -11.816 -9.407
37 H THR 9 H THR 9 -15.113 -12.794 -5.708
38 HA THR 9 HA THR 9 -15.321 -10.090 -6.725
39 HB THR 9 HB THR 9 -17.383 -11.191 -6.109
40 HG1 THR 9 HG1 THR 9 -18.048 -9.312 -5.421
41 HG21 THR 9 3HG2 THR 9 -16.755 -12.774 -4.479
42 HG22 THR 9 1HG2 THR 9 -17.792 -11.630 -3.628
43 HG23 THR 9 2HG2 THR 9 -16.040 -11.542 -3.439
44 H ARG 10 H ARG 10 -13.823 -11.752 -4.076
45 HA ARG 10 HA ARG 10 -13.453 -9.431 -2.433
46 HB2 ARG 10 1HB ARG 10 -13.460 -11.966 -1.777
47 HB3 ARG 10 2HB ARG 10 -11.757 -11.889 -2.209
48 HG2 ARG 10 1HG ARG 10 -11.227 -10.521 -0.449
49 HG3 ARG 10 2HG ARG 10 -12.857 -9.854 -0.337
50 HD2 ARG 10 1HD ARG 10 -12.225 -12.720 0.321
51 HD3 ARG 10 2HD ARG 10 -12.137 -11.429 1.520
52 HE ARG 10 HE ARG 10 -14.646 -11.495 0.144
53 HH11 ARG 10 1HH1 ARG 10 -12.809 -12.891 2.751
54 HH12 ARG 10 2HH1 ARG 10 -14.209 -13.365 3.657
55 HH21 ARG 10 1HH2 ARG 10 -16.496 -12.113 1.327
56 HH22 ARG 10 2HH2 ARG 10 -16.305 -12.922 2.845
57 H LYS 11 H LYS 11 -11.559 -8.263 -2.088
58 HA LYS 11 HA LYS 11 -9.118 -8.785 -3.433
59 HB2 LYS 11 1HB LYS 11 -10.831 -7.876 -5.227
60 HB3 LYS 11 2HB LYS 11 -10.416 -6.321 -4.517
61 HG2 LYS 11 1HG LYS 11 -8.198 -8.129 -5.307
62 HG3 LYS 11 2HG LYS 11 -9.103 -7.307 -6.580
63 HD2 LYS 11 1HD LYS 11 -8.121 -5.737 -4.238
64 HD3 LYS 11 2HD LYS 11 -6.985 -6.190 -5.510
65 HE2 LYS 11 1HE LYS 11 -9.605 -4.856 -6.124
66 HE3 LYS 11 2HE LYS 11 -8.165 -3.926 -5.711
67 HZ1 LYS 11 3HZ LYS 11 -8.006 -5.958 -7.829
68 HZ2 LYS 11 1HZ LYS 11 -7.106 -4.539 -7.634
69 HZ3 LYS 11 2HZ LYS 11 -8.705 -4.457 -8.177
70 H ARG 12 H ARG 12 -7.467 -7.325 -2.854
71 HA ARG 12 HA ARG 12 -8.221 -5.208 -0.962
72 HB2 ARG 12 1HB ARG 12 -6.513 -5.876 0.599
73 HB3 ARG 12 2HB ARG 12 -7.556 -7.256 0.286
74 HG2 ARG 12 1HG ARG 12 -5.918 -8.255 -1.142
75 HG3 ARG 12 2HG ARG 12 -4.906 -6.812 -1.067
76 HD2 ARG 12 1HD ARG 12 -3.849 -8.085 0.500
77 HD3 ARG 12 2HD ARG 12 -5.043 -7.296 1.530
78 HE ARG 12 HE ARG 12 -6.344 -9.513 0.819
79 HH11 ARG 12 1HH1 ARG 12 -3.090 -9.036 1.959
80 HH12 ARG 12 2HH1 ARG 12 -2.990 -10.589 2.722
81 HH21 ARG 12 1HH2 ARG 12 -6.226 -11.560 1.820
82 HH22 ARG 12 2HH2 ARG 12 -4.774 -12.024 2.641
83 H TYR 13 H TYR 13 -6.841 -3.438 -0.884
84 HA TYR 13 HA TYR 13 -5.200 -3.085 -3.244
85 HB2 TYR 13 1HB TYR 13 -5.715 -1.104 -1.022
86 HB3 TYR 13 2HB TYR 13 -5.130 -0.756 -2.645
87 HD1 TYR 13 HD2 TYR 13 -8.076 -1.867 -0.705
88 HD2 TYR 13 HD1 TYR 13 -6.637 -0.455 -4.452
89 HE1 TYR 13 HE2 TYR 13 -10.392 -1.525 -1.459
90 HE2 TYR 13 HE1 TYR 13 -8.949 -0.108 -5.216
91 HH TYR 13 HH TYR 13 -11.102 -0.304 -4.720
92 H GLU 14 H GLU 14 -3.043 -3.140 -3.325
93 HA GLU 14 HA GLU 14 -1.578 -3.344 -0.776
94 HB2 GLU 14 1HB GLU 14 -1.309 -4.803 -3.362
95 HB3 GLU 14 2HB GLU 14 0.152 -4.487 -2.436
96 HG2 GLU 14 1HG GLU 14 -0.394 -6.506 -1.572
97 HG3 GLU 14 2HG GLU 14 -1.310 -5.478 -0.472
98 H CYS 15 H CYS 15 0.418 -2.298 -0.584
99 HA CYS 15 HA CYS 15 0.634 0.132 -2.103
100 HB2 CYS 15 1HB CYS 15 1.188 -0.367 0.436
101 HB3 CYS 15 2HB CYS 15 2.775 -0.757 -0.219
102 H SER 16 H SER 16 2.845 0.828 -2.907
103 HA SER 16 HA SER 16 3.942 -1.344 -4.553
104 HB2 SER 16 1HB SER 16 2.984 0.664 -5.706
105 HB3 SER 16 2HB SER 16 4.248 1.640 -4.957
106 HG SER 16 HG SER 16 5.048 1.076 -6.913
107 H LYS 17 H LYS 17 4.852 1.284 -2.389
108 HA LYS 17 HA LYS 17 7.671 0.715 -2.593
109 HB2 LYS 17 1HB LYS 17 6.443 2.974 -2.027
110 HB3 LYS 17 2HB LYS 17 6.499 2.354 -0.382
111 HG2 LYS 17 1HG LYS 17 8.973 2.081 -0.668
112 HG3 LYS 17 2HG LYS 17 8.820 2.945 -2.200
113 HD2 LYS 17 1HD LYS 17 8.100 4.922 -1.124
114 HD3 LYS 17 2HD LYS 17 7.819 4.078 0.401
115 HE2 LYS 17 1HE LYS 17 10.539 4.318 -0.866
116 HE3 LYS 17 2HE LYS 17 9.907 5.504 0.275
117 HZ1 LYS 17 3HZ LYS 17 9.945 2.646 0.988
118 HZ2 LYS 17 1HZ LYS 17 9.963 4.000 2.002
119 HZ3 LYS 17 2HZ LYS 17 11.353 3.573 1.138
120 H CYS 18 H CYS 18 5.529 0.792 0.258
121 HA CYS 18 HA CYS 18 7.236 -1.033 1.679
122 HB2 CYS 18 1HB CYS 18 5.754 -0.721 3.533
123 HB3 CYS 18 2HB CYS 18 5.953 0.845 2.755
124 H GLN 19 H GLN 19 4.576 -1.324 -0.434
125 HA GLN 19 HA GLN 19 3.321 -3.082 -1.147
126 HB2 GLN 19 1HB GLN 19 5.708 -4.521 -0.006
127 HB3 GLN 19 2HB GLN 19 4.387 -5.380 -0.786
128 HG2 GLN 19 1HG GLN 19 4.799 -4.276 -2.860
129 HG3 GLN 19 2HG GLN 19 5.972 -3.195 -2.109
130 HE21 GLN 19 1HE2 GLN 19 8.021 -3.726 -2.322
131 HE22 GLN 19 2HE2 GLN 19 8.633 -5.301 -2.679
132 H ALA 20 H ALA 20 2.498 -1.974 1.251
133 HA ALA 20 HA ALA 20 1.922 -4.146 3.094
134 HB1 ALA 20 3HB ALA 20 2.516 -1.861 3.893
135 HB2 ALA 20 1HB ALA 20 0.985 -1.286 3.233
136 HB3 ALA 20 2HB ALA 20 0.993 -2.477 4.535
137 H THR 21 H THR 21 -0.531 -3.760 4.011
138 HA THR 21 HA THR 21 -2.306 -3.968 1.667
139 HB THR 21 HB THR 21 -3.610 -5.684 2.927
140 HG1 THR 21 HG1 THR 21 -2.346 -6.726 4.662
141 HG21 THR 21 3HG2 THR 21 -1.086 -7.077 2.847
142 HG22 THR 21 1HG2 THR 21 -1.241 -5.989 1.469
143 HG23 THR 21 2HG2 THR 21 -2.474 -7.215 1.769
144 H PHE 22 H PHE 22 -4.532 -3.432 2.042
145 HA PHE 22 HA PHE 22 -5.155 -2.036 4.525
146 HB2 PHE 22 1HB PHE 22 -5.310 -0.723 1.805
147 HB3 PHE 22 2HB PHE 22 -5.991 -0.050 3.282
148 HD1 PHE 22 HD2 PHE 22 -4.510 0.726 5.086
149 HD2 PHE 22 HD1 PHE 22 -2.981 -0.605 1.343
150 HE1 PHE 22 HE2 PHE 22 -2.357 1.807 5.585
151 HE2 PHE 22 HE1 PHE 22 -0.825 0.473 1.837
152 HZ PHE 22 HZ PHE 22 -0.511 1.682 3.960
153 H ASN 23 H ASN 23 -7.472 -1.439 4.655
154 HA ASN 23 HA ASN 23 -9.086 -3.542 3.432
155 HB2 ASN 23 1HB ASN 23 -9.524 -1.685 5.765
156 HB3 ASN 23 2HB ASN 23 -10.831 -2.655 5.093
157 HD21 ASN 23 1HD2 ASN 23 -10.953 -4.780 5.567
158 HD22 ASN 23 2HD2 ASN 23 -9.851 -5.606 6.610
159 H LEU 24 H LEU 24 -9.086 -0.015 3.830
160 HA LEU 24 HA LEU 24 -11.169 0.181 1.770
161 HB2 LEU 24 1HB LEU 24 -10.206 2.059 3.901
162 HB3 LEU 24 2HB LEU 24 -11.173 2.629 2.542
163 HG LEU 24 HG LEU 24 -12.165 0.399 4.278
164 HD11 LEU 24 1HD1 LEU 24 -11.495 2.891 5.304
165 HD12 LEU 24 2HD1 LEU 24 -12.577 1.703 6.028
166 HD13 LEU 24 3HD1 LEU 24 -13.231 2.982 5.006
167 HD21 LEU 24 3HD2 LEU 24 -13.417 0.749 2.287
168 HD22 LEU 24 1HD2 LEU 24 -13.433 2.496 2.528
169 HD23 LEU 24 2HD2 LEU 24 -14.348 1.449 3.613
170 H ARG 25 H ARG 25 -10.921 1.579 -0.007
171 HA ARG 25 HA ARG 25 -8.280 1.664 -1.076
172 HB2 ARG 25 1HB ARG 25 -10.353 1.353 -2.437
173 HB3 ARG 25 2HB ARG 25 -10.762 3.034 -2.122
174 HG2 ARG 25 1HG ARG 25 -8.401 3.501 -3.125
175 HG3 ARG 25 2HG ARG 25 -8.603 1.897 -3.832
176 HD2 ARG 25 1HD ARG 25 -10.458 2.550 -5.083
177 HD3 ARG 25 2HD ARG 25 -10.756 3.966 -4.075
178 HE ARG 25 HE ARG 25 -9.191 5.142 -5.297
179 HH11 ARG 25 1HH1 ARG 25 -9.099 1.769 -6.156
180 HH12 ARG 25 2HH1 ARG 25 -8.092 2.016 -7.544
181 HH21 ARG 25 1HH2 ARG 25 -7.866 5.480 -7.123
182 HH22 ARG 25 2HH2 ARG 25 -7.391 4.127 -8.093
183 H LYS 26 H LYS 26 -10.594 4.238 -0.213
184 HA LYS 26 HA LYS 26 -9.107 6.464 -0.704
185 HB2 LYS 26 1HB LYS 26 -10.345 7.573 1.114
186 HB3 LYS 26 2HB LYS 26 -11.396 6.575 0.118
187 HG2 LYS 26 1HG LYS 26 -11.741 5.033 1.780
188 HG3 LYS 26 2HG LYS 26 -10.223 5.412 2.596
189 HD2 LYS 26 1HD LYS 26 -11.709 6.400 4.032
190 HD3 LYS 26 2HD LYS 26 -11.387 7.752 2.943
191 HE2 LYS 26 1HE LYS 26 -13.401 7.002 1.618
192 HE3 LYS 26 2HE LYS 26 -13.762 5.900 2.946
193 HZ1 LYS 26 3HZ LYS 26 -14.347 7.596 4.319
194 HZ2 LYS 26 1HZ LYS 26 -14.770 8.309 2.844
195 HZ3 LYS 26 2HZ LYS 26 -13.309 8.717 3.592
196 H HIS 27 H HIS 27 -8.640 4.145 1.852
197 HA HIS 27 HA HIS 27 -6.953 5.701 3.504
198 HB2 HIS 27 1HB HIS 27 -7.595 2.810 3.228
199 HB3 HIS 27 2HB HIS 27 -6.114 3.229 4.084
200 HD1 HIS 27 HD1 HIS 27 -6.987 2.502 6.372
201 HD2 HIS 27 HD2 HIS 27 -9.341 5.395 4.541
202 HE1 HIS 27 HE1 HIS 27 -8.574 3.302 8.151
203 H LEU 28 H LEU 28 -6.257 3.357 0.927
204 HA LEU 28 HA LEU 28 -3.485 3.375 1.073
205 HB2 LEU 28 1HB LEU 28 -4.445 1.758 -0.308
206 HB3 LEU 28 2HB LEU 28 -5.409 2.946 -1.182
207 HG LEU 28 HG LEU 28 -3.254 3.800 -2.172
208 HD11 LEU 28 1HD1 LEU 28 -1.584 3.020 -0.738
209 HD12 LEU 28 2HD1 LEU 28 -1.428 2.010 -2.175
210 HD13 LEU 28 3HD1 LEU 28 -2.225 1.377 -0.735
211 HD21 LEU 28 3HD2 LEU 28 -3.707 2.531 -3.950
212 HD22 LEU 28 1HD2 LEU 28 -4.916 1.741 -2.938
213 HD23 LEU 28 2HD2 LEU 28 -3.305 1.042 -3.093
214 H ILE 29 H ILE 29 -5.508 5.300 -1.151
215 HA ILE 29 HA ILE 29 -3.699 6.828 -2.422
216 HB ILE 29 HB ILE 29 -6.254 7.848 -1.176
217 HG12 ILE 29 1HG1 ILE 29 -6.846 7.602 -3.758
218 HG13 ILE 29 2HG1 ILE 29 -5.573 6.389 -3.687
219 HG21 ILE 29 1HG2 ILE 29 -6.049 9.490 -3.167
220 HG22 ILE 29 2HG2 ILE 29 -5.124 9.799 -1.699
221 HG23 ILE 29 3HG2 ILE 29 -4.333 9.086 -3.105
222 HD11 ILE 29 3HD1 ILE 29 -8.283 6.138 -2.954
223 HD12 ILE 29 1HD1 ILE 29 -7.003 4.929 -2.856
224 HD13 ILE 29 2HD1 ILE 29 -7.320 5.991 -1.484
225 H GLN 30 H GLN 30 -4.927 7.537 0.843
226 HA GLN 30 HA GLN 30 -3.287 9.811 1.244
227 HB2 GLN 30 1HB GLN 30 -5.346 9.388 2.531
228 HB3 GLN 30 2HB GLN 30 -4.577 8.003 3.295
229 HG2 GLN 30 1HG GLN 30 -3.241 10.647 3.501
230 HG3 GLN 30 2HG GLN 30 -4.683 10.351 4.473
231 HE21 GLN 30 1HE2 GLN 30 -2.797 10.787 6.055
232 HE22 GLN 30 2HE2 GLN 30 -2.020 9.375 6.677
233 H HIS 31 H HIS 31 -2.972 6.418 2.239
234 HA HIS 31 HA HIS 31 -0.609 6.670 3.711
235 HB2 HIS 31 1HB HIS 31 -1.876 4.645 3.874
236 HB3 HIS 31 2HB HIS 31 -1.735 4.346 2.144
237 HD1 HIS 31 HD1 HIS 31 0.239 4.175 5.334
238 HD2 HIS 31 HD2 HIS 31 0.604 3.087 1.341
239 HE1 HIS 31 HE1 HIS 31 2.272 2.699 5.223
240 H GLN 32 H GLN 32 -1.167 6.637 0.292
241 HA GLN 32 HA GLN 32 1.494 5.970 -0.489
242 HB2 GLN 32 1HB GLN 32 -0.855 7.184 -1.924
243 HB3 GLN 32 2HB GLN 32 0.711 7.016 -2.707
244 HG2 GLN 32 1HG GLN 32 0.644 4.628 -2.441
245 HG3 GLN 32 2HG GLN 32 -0.846 4.739 -1.506
246 HE21 GLN 32 1HE2 GLN 32 0.261 3.844 -4.373
247 HE22 GLN 32 2HE2 GLN 32 -1.090 4.220 -5.381
248 H LYS 33 H LYS 33 -0.293 9.020 -0.181
249 HA LYS 33 HA LYS 33 1.865 10.670 -1.010
250 HB2 LYS 33 1HB LYS 33 0.513 12.514 -0.347
251 HB3 LYS 33 2HB LYS 33 -0.578 11.302 -1.007
252 HG2 LYS 33 1HG LYS 33 -1.493 10.810 1.045
253 HG3 LYS 33 2HG LYS 33 -0.076 11.379 1.932
254 HD2 LYS 33 1HD LYS 33 -1.624 13.055 2.336
255 HD3 LYS 33 2HD LYS 33 -0.717 13.701 0.966
256 HE2 LYS 33 1HE LYS 33 -3.233 12.105 0.588
257 HE3 LYS 33 2HE LYS 33 -3.276 13.842 0.889
258 HZ1 LYS 33 3HZ LYS 33 -3.145 13.928 -1.340
259 HZ2 LYS 33 1HZ LYS 33 -2.449 12.393 -1.486
260 HZ3 LYS 33 2HZ LYS 33 -1.487 13.722 -1.075
261 H THR 34 H THR 34 0.898 9.298 2.041
262 HA THR 34 HA THR 34 2.393 10.989 3.743
263 HB THR 34 HB THR 34 2.242 9.087 5.383
264 HG1 THR 34 HG1 THR 34 2.161 7.293 4.092
265 HG21 THR 34 3HG2 THR 34 0.261 10.795 4.432
266 HG22 THR 34 1HG2 THR 34 0.245 9.909 5.955
267 HG23 THR 34 2HG2 THR 34 -0.521 9.217 4.525
268 H HIS 35 H HIS 35 3.307 8.465 1.612
269 HA HIS 35 HA HIS 35 5.689 7.634 2.924
270 HB2 HIS 35 1HB HIS 35 4.497 7.277 0.220
271 HB3 HIS 35 2HB HIS 35 6.228 6.995 0.386
272 HD1 HIS 35 HD1 HIS 35 6.243 5.618 3.146
273 HD2 HIS 35 HD2 HIS 35 3.577 4.716 0.090
274 HE1 HIS 35 HE1 HIS 35 5.458 3.274 3.609
275 H ALA 36 H ALA 36 4.927 10.142 0.580
276 HA ALA 36 HA ALA 36 7.740 10.915 0.402
277 HB1 ALA 36 3HB ALA 36 5.947 12.655 -1.028
278 HB2 ALA 36 1HB ALA 36 7.242 11.627 -1.642
279 HB3 ALA 36 2HB ALA 36 5.622 10.966 -1.417
280 H ALA 37 H ALA 37 8.448 12.155 2.014
281 HA ALA 37 HA ALA 37 6.847 13.713 3.710
282 HB1 ALA 37 3HB ALA 37 9.794 14.017 3.148
283 HB2 ALA 37 1HB ALA 37 8.927 14.649 4.548
284 HB3 ALA 37 2HB ALA 37 9.081 12.907 4.318
285 H LYS 38 H LYS 38 5.559 15.236 2.818
286 HA LYS 38 HA LYS 38 4.899 17.135 1.751
287 HB2 LYS 38 1HB LYS 38 6.588 18.013 3.429
288 HB3 LYS 38 2HB LYS 38 7.750 18.057 2.110
289 HG2 LYS 38 1HG LYS 38 6.220 19.576 0.883
290 HG3 LYS 38 2HG LYS 38 5.178 19.608 2.307
291 HD2 LYS 38 1HD LYS 38 6.878 20.636 3.623
292 HD3 LYS 38 2HD LYS 38 8.090 20.380 2.366
293 HE2 LYS 38 1HE LYS 38 7.200 22.042 1.000
294 HE3 LYS 38 2HE LYS 38 5.639 22.013 1.819
295 HZ1 LYS 38 3HZ LYS 38 8.185 23.144 2.832
296 HZ2 LYS 38 1HZ LYS 38 6.822 22.914 3.808
297 HZ3 LYS 38 2HZ LYS 38 6.750 23.972 2.490
298 H SER 39 H SER 39 5.614 15.064 0.038
299 HA SER 39 HA SER 39 6.114 14.603 -2.134
300 HB2 SER 39 1HB SER 39 4.546 16.677 -2.285
301 HB3 SER 39 2HB SER 39 6.012 17.547 -2.735
302 HG SER 39 HG SER 39 4.707 15.445 -4.083
303 H GLY 40 H GLY 40 8.326 14.823 -0.470
304 HA2 GLY 40 1HA GLY 40 10.415 15.097 -2.349
305 HA3 GLY 40 2HA GLY 40 10.363 16.530 -1.333
306 HA PRO 41 HA PRO 41 12.437 12.699 0.726
307 HB2 PRO 41 1HB PRO 41 15.006 12.973 -0.108
308 HB3 PRO 41 2HB PRO 41 13.822 11.972 -0.957
309 HG2 PRO 41 1HG PRO 41 14.744 14.752 -1.577
310 HG3 PRO 41 2HG PRO 41 14.462 13.394 -2.682
311 HD2 PRO 41 1HD PRO 41 12.672 15.398 -2.349
312 HD3 PRO 41 2HD PRO 41 12.182 13.731 -2.715
313 H SER 42 H SER 42 14.206 12.832 2.355
314 HA SER 42 HA SER 42 14.222 15.490 3.546
315 HB2 SER 42 1HB SER 42 15.147 14.316 5.539
316 HB3 SER 42 2HB SER 42 13.607 13.646 5.002
317 HG SER 42 HG SER 42 15.073 11.981 5.420
318 H SER 43 H SER 43 16.528 12.998 2.522
319 HA SER 43 HA SER 43 18.914 14.075 3.275
320 HB2 SER 43 1HB SER 43 18.859 11.957 2.139
321 HB3 SER 43 2HB SER 43 18.217 12.699 0.673
322 HG SER 43 HG SER 43 20.330 12.566 0.251
323 H GLY 44 H GLY 44 17.376 14.726 0.116
324 HA2 GLY 44 1HA GLY 44 18.611 17.404 0.192
325 HA3 GLY 44 2HA GLY 44 18.720 16.407 -1.251
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -7.825 -33.621 -14.964
2 HA2 GLY 1 1HA GLY 1 -8.819 -31.537 -15.343
3 HA3 GLY 1 2HA GLY 1 -8.199 -31.318 -13.713
4 H SER 2 H SER 2 -8.587 -29.443 -16.026
5 HA SER 2 HA SER 2 -5.819 -28.439 -16.172
6 HB2 SER 2 1HB SER 2 -8.026 -27.949 -18.185
7 HB3 SER 2 2HB SER 2 -6.340 -27.452 -18.325
8 HG SER 2 HG SER 2 -6.836 -30.159 -17.912
9 H SER 3 H SER 3 -7.427 -27.848 -13.988
10 HA SER 3 HA SER 3 -7.456 -24.977 -14.123
11 HB2 SER 3 1HB SER 3 -9.996 -26.544 -14.120
12 HB3 SER 3 2HB SER 3 -9.925 -25.079 -13.140
13 HG SER 3 HG SER 3 -10.622 -24.913 -15.448
14 H GLY 4 H GLY 4 -8.447 -24.128 -11.918
15 HA2 GLY 4 1HA GLY 4 -7.595 -25.963 -9.769
16 HA3 GLY 4 2HA GLY 4 -7.023 -24.302 -9.821
17 H SER 5 H SER 5 -9.988 -26.245 -9.662
18 HA SER 5 HA SER 5 -11.694 -24.134 -8.900
19 HB2 SER 5 1HB SER 5 -11.844 -27.120 -8.786
20 HB3 SER 5 2HB SER 5 -13.039 -26.175 -7.897
21 HG SER 5 HG SER 5 -13.923 -25.567 -9.720
22 H SER 6 H SER 6 -11.111 -22.900 -7.203
23 HA SER 6 HA SER 6 -10.534 -24.266 -4.656
24 HB2 SER 6 1HB SER 6 -9.724 -21.471 -5.493
25 HB3 SER 6 2HB SER 6 -9.294 -22.272 -3.982
26 HG SER 6 HG SER 6 -7.691 -23.142 -5.001
27 H GLY 7 H GLY 7 -12.145 -21.444 -6.094
28 HA2 GLY 7 1HA GLY 7 -14.561 -21.355 -5.225
29 HA3 GLY 7 2HA GLY 7 -13.782 -21.215 -3.656
30 H HIS 8 H HIS 8 -14.708 -19.190 -3.264
31 HA HIS 8 HA HIS 8 -13.853 -17.009 -5.037
32 HB2 HIS 8 1HB HIS 8 -15.965 -17.031 -2.869
33 HB3 HIS 8 2HB HIS 8 -15.574 -15.656 -3.898
34 HD1 HIS 8 HD1 HIS 8 -16.342 -15.776 -6.379
35 HD2 HIS 8 HD2 HIS 8 -17.552 -18.994 -4.046
36 HE1 HIS 8 HE1 HIS 8 -18.102 -16.961 -7.729
37 H THR 9 H THR 9 -12.217 -15.765 -4.435
38 HA THR 9 HA THR 9 -11.654 -15.445 -1.564
39 HB THR 9 HB THR 9 -9.210 -15.425 -2.125
40 HG1 THR 9 HG1 THR 9 -8.551 -15.985 -4.117
41 HG21 THR 9 3HG2 THR 9 -10.119 -18.104 -2.979
42 HG22 THR 9 1HG2 THR 9 -10.780 -17.507 -1.458
43 HG23 THR 9 2HG2 THR 9 -9.034 -17.639 -1.669
44 H ARG 10 H ARG 10 -11.856 -13.375 -1.049
45 HA ARG 10 HA ARG 10 -11.756 -11.303 -3.037
46 HB2 ARG 10 1HB ARG 10 -12.349 -9.799 -1.242
47 HB3 ARG 10 2HB ARG 10 -13.331 -11.253 -1.119
48 HG2 ARG 10 1HG ARG 10 -10.806 -11.132 0.440
49 HG3 ARG 10 2HG ARG 10 -12.182 -10.172 0.989
50 HD2 ARG 10 1HD ARG 10 -13.466 -12.449 0.593
51 HD3 ARG 10 2HD ARG 10 -11.855 -13.124 0.837
52 HE ARG 10 HE ARG 10 -12.083 -11.502 2.948
53 HH11 ARG 10 1HH1 ARG 10 -14.268 -13.858 1.607
54 HH12 ARG 10 2HH1 ARG 10 -14.994 -14.245 3.132
55 HH21 ARG 10 1HH2 ARG 10 -13.032 -12.003 4.962
56 HH22 ARG 10 2HH2 ARG 10 -14.291 -13.188 5.039
57 H LYS 11 H LYS 11 -10.405 -9.367 -2.804
58 HA LYS 11 HA LYS 11 -7.741 -10.014 -1.722
59 HB2 LYS 11 1HB LYS 11 -8.423 -8.432 -4.206
60 HB3 LYS 11 2HB LYS 11 -6.802 -8.623 -3.551
61 HG2 LYS 11 1HG LYS 11 -7.100 -11.105 -3.835
62 HG3 LYS 11 2HG LYS 11 -8.574 -10.742 -4.735
63 HD2 LYS 11 1HD LYS 11 -7.428 -9.826 -6.504
64 HD3 LYS 11 2HD LYS 11 -6.044 -9.369 -5.509
65 HE2 LYS 11 1HE LYS 11 -5.207 -11.133 -6.753
66 HE3 LYS 11 2HE LYS 11 -5.697 -11.923 -5.255
67 HZ1 LYS 11 3HZ LYS 11 -6.444 -13.211 -7.113
68 HZ2 LYS 11 1HZ LYS 11 -7.213 -11.874 -7.807
69 HZ3 LYS 11 2HZ LYS 11 -7.797 -12.529 -6.361
70 H ARG 12 H ARG 12 -6.391 -7.893 -1.533
71 HA ARG 12 HA ARG 12 -8.059 -5.695 -0.537
72 HB2 ARG 12 1HB ARG 12 -5.828 -7.054 0.980
73 HB3 ARG 12 2HB ARG 12 -6.507 -5.496 1.431
74 HG2 ARG 12 1HG ARG 12 -8.678 -6.512 1.786
75 HG3 ARG 12 2HG ARG 12 -8.051 -8.075 1.258
76 HD2 ARG 12 1HD ARG 12 -6.745 -8.335 3.162
77 HD3 ARG 12 2HD ARG 12 -6.761 -6.610 3.526
78 HE ARG 12 HE ARG 12 -9.381 -7.517 3.710
79 HH11 ARG 12 1HH1 ARG 12 -6.329 -8.040 5.302
80 HH12 ARG 12 2HH1 ARG 12 -7.045 -8.421 6.833
81 HH21 ARG 12 1HH2 ARG 12 -10.335 -8.018 5.720
82 HH22 ARG 12 2HH2 ARG 12 -9.323 -8.410 7.070
83 H TYR 13 H TYR 13 -7.201 -3.668 -0.794
84 HA TYR 13 HA TYR 13 -5.414 -3.185 -2.842
85 HB2 TYR 13 1HB TYR 13 -6.022 -1.390 -0.484
86 HB3 TYR 13 2HB TYR 13 -5.297 -0.872 -2.001
87 HD1 TYR 13 HD2 TYR 13 -8.386 -2.170 -0.449
88 HD2 TYR 13 HD1 TYR 13 -6.635 -0.450 -3.924
89 HE1 TYR 13 HE2 TYR 13 -10.629 -1.782 -1.381
90 HE2 TYR 13 HE1 TYR 13 -8.873 -0.056 -4.865
91 HH TYR 13 HH TYR 13 -11.129 -0.854 -4.646
92 H GLU 14 H GLU 14 -3.248 -2.866 -3.019
93 HA GLU 14 HA GLU 14 -1.631 -3.122 -0.574
94 HB2 GLU 14 1HB GLU 14 -1.833 -5.201 -2.181
95 HB3 GLU 14 2HB GLU 14 -0.663 -4.309 -3.142
96 HG2 GLU 14 1HG GLU 14 0.999 -4.531 -1.585
97 HG3 GLU 14 2HG GLU 14 -0.131 -4.697 -0.242
98 H CYS 15 H CYS 15 0.526 -2.232 -0.733
99 HA CYS 15 HA CYS 15 0.636 0.007 -2.638
100 HB2 CYS 15 1HB CYS 15 0.612 0.829 -0.401
101 HB3 CYS 15 2HB CYS 15 1.815 -0.347 0.116
102 H SER 16 H SER 16 2.123 -0.028 -4.182
103 HA SER 16 HA SER 16 4.118 -2.128 -4.205
104 HB2 SER 16 1HB SER 16 2.726 -1.377 -6.222
105 HB3 SER 16 2HB SER 16 3.786 0.032 -6.286
106 HG SER 16 HG SER 16 5.469 -1.845 -6.150
107 H LYS 17 H LYS 17 4.385 -0.015 -2.226
108 HA LYS 17 HA LYS 17 6.995 1.067 -3.065
109 HB2 LYS 17 1HB LYS 17 4.950 2.684 -2.687
110 HB3 LYS 17 2HB LYS 17 5.346 2.454 -0.989
111 HG2 LYS 17 1HG LYS 17 6.606 4.290 -1.413
112 HG3 LYS 17 2HG LYS 17 7.776 3.045 -1.853
113 HD2 LYS 17 1HD LYS 17 5.923 4.029 -3.960
114 HD3 LYS 17 2HD LYS 17 7.238 5.091 -3.451
115 HE2 LYS 17 1HE LYS 17 8.806 3.170 -3.849
116 HE3 LYS 17 2HE LYS 17 7.452 2.301 -4.570
117 HZ1 LYS 17 3HZ LYS 17 8.640 3.320 -6.321
118 HZ2 LYS 17 1HZ LYS 17 8.702 4.813 -5.527
119 HZ3 LYS 17 2HZ LYS 17 7.229 4.232 -6.122
120 H CYS 18 H CYS 18 5.010 0.135 -0.266
121 HA CYS 18 HA CYS 18 7.480 -0.762 1.065
122 HB2 CYS 18 1HB CYS 18 6.430 -0.165 3.229
123 HB3 CYS 18 2HB CYS 18 6.680 1.236 2.191
124 H GLN 19 H GLN 19 4.801 -1.801 -0.412
125 HA GLN 19 HA GLN 19 3.646 -3.760 -0.446
126 HB2 GLN 19 1HB GLN 19 5.876 -4.588 1.414
127 HB3 GLN 19 2HB GLN 19 4.660 -5.700 0.800
128 HG2 GLN 19 1HG GLN 19 6.731 -4.193 -0.770
129 HG3 GLN 19 2HG GLN 19 6.599 -5.936 -0.544
130 HE21 GLN 19 1HE2 GLN 19 5.980 -3.421 -2.601
131 HE22 GLN 19 2HE2 GLN 19 4.812 -4.177 -3.624
132 H ALA 20 H ALA 20 2.400 -1.953 1.005
133 HA ALA 20 HA ALA 20 1.654 -3.276 3.529
134 HB1 ALA 20 3HB ALA 20 0.508 -0.756 3.565
135 HB2 ALA 20 1HB ALA 20 1.974 -1.257 4.409
136 HB3 ALA 20 2HB ALA 20 2.086 -0.501 2.819
137 H THR 21 H THR 21 -0.385 -3.974 3.835
138 HA THR 21 HA THR 21 -2.240 -3.712 1.582
139 HB THR 21 HB THR 21 -3.503 -5.557 2.741
140 HG1 THR 21 HG1 THR 21 -2.715 -5.355 4.837
141 HG21 THR 21 3HG2 THR 21 -1.342 -5.685 1.073
142 HG22 THR 21 1HG2 THR 21 -2.339 -7.062 1.541
143 HG23 THR 21 2HG2 THR 21 -0.836 -6.727 2.402
144 H PHE 22 H PHE 22 -4.272 -2.870 1.781
145 HA PHE 22 HA PHE 22 -4.987 -1.732 4.402
146 HB2 PHE 22 1HB PHE 22 -5.269 -0.479 1.667
147 HB3 PHE 22 2HB PHE 22 -6.064 0.147 3.107
148 HD1 PHE 22 HD2 PHE 22 -4.728 1.089 4.948
149 HD2 PHE 22 HD1 PHE 22 -2.952 -0.127 1.276
150 HE1 PHE 22 HE2 PHE 22 -2.713 2.389 5.497
151 HE2 PHE 22 HE1 PHE 22 -0.932 1.170 1.820
152 HZ PHE 22 HZ PHE 22 -0.812 2.431 3.932
153 H ASN 23 H ASN 23 -7.372 -1.151 4.501
154 HA ASN 23 HA ASN 23 -8.889 -3.436 3.484
155 HB2 ASN 23 1HB ASN 23 -9.091 -3.155 5.848
156 HB3 ASN 23 2HB ASN 23 -9.434 -1.436 5.680
157 HD21 ASN 23 1HD2 ASN 23 -11.344 -1.663 6.855
158 HD22 ASN 23 2HD2 ASN 23 -12.758 -2.378 6.166
159 H LEU 24 H LEU 24 -9.184 0.101 3.754
160 HA LEU 24 HA LEU 24 -11.347 0.078 1.795
161 HB2 LEU 24 1HB LEU 24 -10.161 2.276 3.478
162 HB3 LEU 24 2HB LEU 24 -11.445 2.527 2.297
163 HG LEU 24 HG LEU 24 -11.710 0.679 4.662
164 HD11 LEU 24 1HD1 LEU 24 -12.371 3.600 4.396
165 HD12 LEU 24 2HD1 LEU 24 -11.372 2.813 5.618
166 HD13 LEU 24 3HD1 LEU 24 -13.116 2.550 5.602
167 HD21 LEU 24 3HD2 LEU 24 -14.089 0.862 4.193
168 HD22 LEU 24 1HD2 LEU 24 -13.223 0.265 2.776
169 HD23 LEU 24 2HD2 LEU 24 -13.755 1.946 2.841
170 H ARG 25 H ARG 25 -11.277 1.821 0.089
171 HA ARG 25 HA ARG 25 -8.875 1.495 -1.445
172 HB2 ARG 25 1HB ARG 25 -11.311 1.631 -2.297
173 HB3 ARG 25 2HB ARG 25 -11.116 3.372 -2.144
174 HG2 ARG 25 1HG ARG 25 -9.064 1.845 -3.658
175 HG3 ARG 25 2HG ARG 25 -10.635 2.132 -4.408
176 HD2 ARG 25 1HD ARG 25 -9.162 4.397 -3.134
177 HD3 ARG 25 2HD ARG 25 -8.688 3.839 -4.738
178 HE ARG 25 HE ARG 25 -11.109 5.251 -4.025
179 HH11 ARG 25 1HH1 ARG 25 -9.469 3.293 -6.391
180 HH12 ARG 25 2HH1 ARG 25 -10.470 3.813 -7.707
181 HH21 ARG 25 1HH2 ARG 25 -12.433 5.943 -5.749
182 HH22 ARG 25 2HH2 ARG 25 -12.155 5.321 -7.340
183 H LYS 26 H LYS 26 -10.606 4.348 -0.186
184 HA LYS 26 HA LYS 26 -8.780 6.295 -0.893
185 HB2 LYS 26 1HB LYS 26 -9.725 7.649 0.912
186 HB3 LYS 26 2HB LYS 26 -10.990 6.794 0.040
187 HG2 LYS 26 1HG LYS 26 -11.365 5.309 1.798
188 HG3 LYS 26 2HG LYS 26 -9.820 5.685 2.565
189 HD2 LYS 26 1HD LYS 26 -11.214 6.894 3.911
190 HD3 LYS 26 2HD LYS 26 -10.879 8.109 2.675
191 HE2 LYS 26 1HE LYS 26 -12.947 7.585 1.544
192 HE3 LYS 26 2HE LYS 26 -13.262 6.260 2.664
193 HZ1 LYS 26 3HZ LYS 26 -12.834 8.792 3.960
194 HZ2 LYS 26 1HZ LYS 26 -14.063 7.652 4.192
195 HZ3 LYS 26 2HZ LYS 26 -14.183 8.783 2.940
196 H HIS 27 H HIS 27 -8.672 4.021 1.764
197 HA HIS 27 HA HIS 27 -6.751 5.180 3.390
198 HB2 HIS 27 1HB HIS 27 -7.617 2.388 2.835
199 HB3 HIS 27 2HB HIS 27 -6.094 2.605 3.693
200 HD1 HIS 27 HD1 HIS 27 -6.395 2.529 6.133
201 HD2 HIS 27 HD2 HIS 27 -9.726 4.124 4.230
202 HE1 HIS 27 HE1 HIS 27 -8.035 3.046 7.969
203 H LEU 28 H LEU 28 -6.319 3.199 0.489
204 HA LEU 28 HA LEU 28 -3.519 2.998 0.603
205 HB2 LEU 28 1HB LEU 28 -4.619 1.528 -0.849
206 HB3 LEU 28 2HB LEU 28 -5.514 2.830 -1.629
207 HG LEU 28 HG LEU 28 -3.409 3.597 -2.680
208 HD11 LEU 28 1HD1 LEU 28 -2.312 1.232 -1.202
209 HD12 LEU 28 2HD1 LEU 28 -1.696 2.883 -1.273
210 HD13 LEU 28 3HD1 LEU 28 -1.552 1.827 -2.678
211 HD21 LEU 28 3HD2 LEU 28 -3.132 1.359 -4.052
212 HD22 LEU 28 1HD2 LEU 28 -4.592 2.341 -4.177
213 HD23 LEU 28 2HD2 LEU 28 -4.581 0.905 -3.154
214 H ILE 29 H ILE 29 -5.493 5.139 -1.462
215 HA ILE 29 HA ILE 29 -3.456 6.687 -2.496
216 HB ILE 29 HB ILE 29 -6.242 7.604 -1.774
217 HG12 ILE 29 1HG1 ILE 29 -6.366 7.252 -4.405
218 HG13 ILE 29 2HG1 ILE 29 -5.077 6.099 -4.074
219 HG21 ILE 29 1HG2 ILE 29 -4.183 9.222 -2.441
220 HG22 ILE 29 2HG2 ILE 29 -4.820 8.830 -4.037
221 HG23 ILE 29 3HG2 ILE 29 -5.870 9.561 -2.823
222 HD11 ILE 29 3HD1 ILE 29 -7.466 5.924 -2.355
223 HD12 ILE 29 1HD1 ILE 29 -7.666 5.459 -4.045
224 HD13 ILE 29 2HD1 ILE 29 -6.460 4.649 -3.044
225 H GLN 30 H GLN 30 -5.192 7.081 0.560
226 HA GLN 30 HA GLN 30 -4.031 9.543 1.294
227 HB2 GLN 30 1HB GLN 30 -6.077 8.342 2.299
228 HB3 GLN 30 2HB GLN 30 -4.911 7.453 3.270
229 HG2 GLN 30 1HG GLN 30 -5.195 10.449 3.218
230 HG3 GLN 30 2HG GLN 30 -5.869 9.381 4.449
231 HE21 GLN 30 1HE2 GLN 30 -3.789 11.567 4.454
232 HE22 GLN 30 2HE2 GLN 30 -2.436 10.863 5.265
233 H HIS 31 H HIS 31 -3.108 6.191 1.959
234 HA HIS 31 HA HIS 31 -1.021 6.652 3.737
235 HB2 HIS 31 1HB HIS 31 -1.577 4.412 3.543
236 HB3 HIS 31 2HB HIS 31 -1.644 4.473 1.784
237 HD1 HIS 31 HD1 HIS 31 0.707 3.968 4.631
238 HD2 HIS 31 HD2 HIS 31 0.824 4.116 0.481
239 HE1 HIS 31 HE1 HIS 31 2.966 3.067 3.990
240 H GLN 32 H GLN 32 -0.943 6.476 0.189
241 HA GLN 32 HA GLN 32 1.670 6.630 -0.415
242 HB2 GLN 32 1HB GLN 32 -0.456 8.408 -1.625
243 HB3 GLN 32 2HB GLN 32 1.092 8.013 -2.361
244 HG2 GLN 32 1HG GLN 32 0.425 5.631 -2.381
245 HG3 GLN 32 2HG GLN 32 -1.158 6.107 -1.767
246 HE21 GLN 32 1HE2 GLN 32 -0.886 4.727 -4.128
247 HE22 GLN 32 2HE2 GLN 32 -1.328 5.752 -5.446
248 H LYS 33 H LYS 33 -0.292 9.371 0.688
249 HA LYS 33 HA LYS 33 1.408 11.470 0.456
250 HB2 LYS 33 1HB LYS 33 -0.302 10.810 2.860
251 HB3 LYS 33 2HB LYS 33 0.398 12.390 2.531
252 HG2 LYS 33 1HG LYS 33 -0.871 12.210 0.281
253 HG3 LYS 33 2HG LYS 33 -1.814 10.970 1.112
254 HD2 LYS 33 1HD LYS 33 -2.538 12.511 2.768
255 HD3 LYS 33 2HD LYS 33 -1.378 13.730 2.236
256 HE2 LYS 33 1HE LYS 33 -3.558 12.689 0.447
257 HE3 LYS 33 2HE LYS 33 -3.805 14.054 1.536
258 HZ1 LYS 33 3HZ LYS 33 -2.887 15.365 0.028
259 HZ2 LYS 33 1HZ LYS 33 -2.625 14.050 -1.005
260 HZ3 LYS 33 2HZ LYS 33 -1.439 14.494 0.117
261 H THR 34 H THR 34 1.462 9.060 3.063
262 HA THR 34 HA THR 34 3.489 10.120 4.621
263 HB THR 34 HB THR 34 3.908 7.852 5.437
264 HG1 THR 34 HG1 THR 34 3.823 6.587 3.630
265 HG21 THR 34 3HG2 THR 34 2.010 7.937 6.608
266 HG22 THR 34 1HG2 THR 34 1.044 7.536 5.189
267 HG23 THR 34 2HG2 THR 34 1.475 9.214 5.516
268 H HIS 35 H HIS 35 3.702 8.236 1.659
269 HA HIS 35 HA HIS 35 6.532 7.861 1.785
270 HB2 HIS 35 1HB HIS 35 4.446 7.473 -0.341
271 HB3 HIS 35 2HB HIS 35 6.157 7.353 -0.741
272 HD1 HIS 35 HD1 HIS 35 7.149 5.834 1.750
273 HD2 HIS 35 HD2 HIS 35 3.724 4.847 -0.384
274 HE1 HIS 35 HE1 HIS 35 6.728 3.403 2.241
275 H ALA 36 H ALA 36 4.390 10.249 0.359
276 HA ALA 36 HA ALA 36 5.915 11.570 -1.442
277 HB1 ALA 36 3HB ALA 36 4.336 13.136 -1.299
278 HB2 ALA 36 1HB ALA 36 3.623 12.158 -0.016
279 HB3 ALA 36 2HB ALA 36 4.720 13.479 0.388
280 H ALA 37 H ALA 37 6.230 11.775 2.073
281 HA ALA 37 HA ALA 37 8.313 13.747 1.978
282 HB1 ALA 37 3HB ALA 37 6.994 12.149 4.114
283 HB2 ALA 37 1HB ALA 37 8.557 12.893 4.455
284 HB3 ALA 37 2HB ALA 37 7.190 13.895 3.966
285 H LYS 38 H LYS 38 8.216 10.272 2.756
286 HA LYS 38 HA LYS 38 9.931 8.762 3.032
287 HB2 LYS 38 1HB LYS 38 11.204 8.432 0.969
288 HB3 LYS 38 2HB LYS 38 9.508 8.741 0.619
289 HG2 LYS 38 1HG LYS 38 9.951 10.916 -0.149
290 HG3 LYS 38 2HG LYS 38 11.573 10.918 0.548
291 HD2 LYS 38 1HD LYS 38 10.887 8.862 -1.499
292 HD3 LYS 38 2HD LYS 38 11.202 10.517 -2.026
293 HE2 LYS 38 1HE LYS 38 13.392 10.480 -1.099
294 HE3 LYS 38 2HE LYS 38 13.076 8.967 -0.252
295 HZ1 LYS 38 3HZ LYS 38 13.946 7.950 -2.004
296 HZ2 LYS 38 1HZ LYS 38 13.996 9.378 -2.910
297 HZ3 LYS 38 2HZ LYS 38 12.595 8.430 -2.903
298 H SER 39 H SER 39 10.494 11.009 4.539
299 HA SER 39 HA SER 39 13.129 11.993 3.992
300 HB2 SER 39 1HB SER 39 11.347 13.241 5.281
301 HB3 SER 39 2HB SER 39 11.640 12.131 6.620
302 HG SER 39 HG SER 39 12.854 14.272 6.435
303 H GLY 40 H GLY 40 11.828 9.966 6.631
304 HA2 GLY 40 1HA GLY 40 13.111 7.799 6.896
305 HA3 GLY 40 2HA GLY 40 14.536 8.827 6.933
306 HA PRO 41 HA PRO 41 13.303 8.093 11.311
307 HB2 PRO 41 1HB PRO 41 15.850 7.813 12.209
308 HB3 PRO 41 2HB PRO 41 14.920 6.475 11.524
309 HG2 PRO 41 1HG PRO 41 16.999 8.196 10.229
310 HG3 PRO 41 2HG PRO 41 16.775 6.441 10.122
311 HD2 PRO 41 1HD PRO 41 15.946 8.136 8.179
312 HD3 PRO 41 2HD PRO 41 15.095 6.624 8.554
313 H SER 42 H SER 42 12.638 10.104 11.904
314 HA SER 42 HA SER 42 13.803 12.534 11.584
315 HB2 SER 42 1HB SER 42 12.496 13.337 13.430
316 HB3 SER 42 2HB SER 42 11.566 12.057 12.652
317 HG SER 42 HG SER 42 11.473 11.359 14.653
318 H SER 43 H SER 43 15.755 13.279 12.038
319 HA SER 43 HA SER 43 16.898 12.904 14.671
320 HB2 SER 43 1HB SER 43 18.094 11.685 12.197
321 HB3 SER 43 2HB SER 43 19.125 12.187 13.537
322 HG SER 43 HG SER 43 18.643 10.195 14.139
323 H GLY 44 H GLY 44 17.592 14.842 15.264
324 HA2 GLY 44 1HA GLY 44 19.119 16.666 15.039
325 HA3 GLY 44 2HA GLY 44 19.000 16.507 13.293
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 -6.801 -25.300 -1.942
2 HA2 GLY 1 1HA GLY 1 -5.631 -27.683 -3.172
3 HA3 GLY 1 2HA GLY 1 -7.299 -27.497 -2.652
4 H SER 2 H SER 2 -6.243 -28.474 -5.200
5 HA SER 2 HA SER 2 -6.607 -26.484 -7.196
6 HB2 SER 2 1HB SER 2 -5.337 -28.671 -7.450
7 HB3 SER 2 2HB SER 2 -6.905 -29.465 -7.588
8 HG SER 2 HG SER 2 -7.269 -28.456 -9.478
9 H SER 3 H SER 3 -8.448 -25.564 -7.775
10 HA SER 3 HA SER 3 -10.863 -27.160 -8.034
11 HB2 SER 3 1HB SER 3 -12.234 -25.749 -6.650
12 HB3 SER 3 2HB SER 3 -10.850 -26.258 -5.684
13 HG SER 3 HG SER 3 -11.202 -23.761 -6.985
14 H GLY 4 H GLY 4 -12.610 -25.959 -9.139
15 HA2 GLY 4 1HA GLY 4 -11.472 -24.330 -11.253
16 HA3 GLY 4 2HA GLY 4 -13.112 -24.957 -11.184
17 H SER 5 H SER 5 -11.356 -22.963 -8.833
18 HA SER 5 HA SER 5 -13.328 -20.825 -9.301
19 HB2 SER 5 1HB SER 5 -13.731 -22.157 -7.182
20 HB3 SER 5 2HB SER 5 -12.194 -21.528 -6.588
21 HG SER 5 HG SER 5 -13.249 -19.812 -6.033
22 H SER 6 H SER 6 -12.444 -18.939 -9.805
23 HA SER 6 HA SER 6 -9.580 -18.550 -9.302
24 HB2 SER 6 1HB SER 6 -9.691 -16.821 -11.043
25 HB3 SER 6 2HB SER 6 -10.320 -18.356 -11.642
26 HG SER 6 HG SER 6 -12.421 -17.271 -10.754
27 H GLY 7 H GLY 7 -9.032 -17.352 -7.612
28 HA2 GLY 7 1HA GLY 7 -8.941 -15.404 -6.324
29 HA3 GLY 7 2HA GLY 7 -10.426 -14.857 -7.088
30 H HIS 8 H HIS 8 -9.778 -17.897 -5.382
31 HA HIS 8 HA HIS 8 -12.200 -17.926 -4.000
32 HB2 HIS 8 1HB HIS 8 -10.891 -19.519 -2.419
33 HB3 HIS 8 2HB HIS 8 -11.125 -19.991 -4.100
34 HD1 HIS 8 HD1 HIS 8 -8.530 -19.343 -1.596
35 HD2 HIS 8 HD2 HIS 8 -8.760 -19.645 -5.733
36 HE1 HIS 8 HE1 HIS 8 -6.159 -19.635 -2.381
37 H THR 9 H THR 9 -8.984 -16.891 -2.894
38 HA THR 9 HA THR 9 -9.982 -16.021 -0.340
39 HB THR 9 HB THR 9 -7.674 -15.039 -0.079
40 HG1 THR 9 HG1 THR 9 -7.386 -14.876 -2.452
41 HG21 THR 9 3HG2 THR 9 -7.105 -17.016 0.785
42 HG22 THR 9 1HG2 THR 9 -6.966 -17.740 -0.817
43 HG23 THR 9 2HG2 THR 9 -8.529 -17.699 -0.001
44 H ARG 10 H ARG 10 -10.777 -14.087 0.176
45 HA ARG 10 HA ARG 10 -11.620 -12.185 -1.570
46 HB2 ARG 10 1HB ARG 10 -10.629 -11.650 1.236
47 HB3 ARG 10 2HB ARG 10 -11.707 -10.615 0.311
48 HG2 ARG 10 1HG ARG 10 -13.455 -12.218 0.391
49 HG3 ARG 10 2HG ARG 10 -12.374 -13.453 1.040
50 HD2 ARG 10 1HD ARG 10 -13.056 -10.881 2.455
51 HD3 ARG 10 2HD ARG 10 -13.887 -12.411 2.730
52 HE ARG 10 HE ARG 10 -11.056 -12.633 3.053
53 HH11 ARG 10 1HH1 ARG 10 -14.004 -11.647 4.622
54 HH12 ARG 10 2HH1 ARG 10 -13.391 -11.903 6.222
55 HH21 ARG 10 1HH2 ARG 10 -10.238 -12.974 5.155
56 HH22 ARG 10 2HH2 ARG 10 -11.249 -12.657 6.524
57 H LYS 11 H LYS 11 -10.889 -10.047 -2.118
58 HA LYS 11 HA LYS 11 -7.951 -9.852 -2.248
59 HB2 LYS 11 1HB LYS 11 -8.134 -8.786 -4.365
60 HB3 LYS 11 2HB LYS 11 -9.178 -10.200 -4.429
61 HG2 LYS 11 1HG LYS 11 -10.385 -7.612 -3.617
62 HG3 LYS 11 2HG LYS 11 -9.963 -7.844 -5.315
63 HD2 LYS 11 1HD LYS 11 -11.520 -9.493 -5.618
64 HD3 LYS 11 2HD LYS 11 -11.454 -10.015 -3.933
65 HE2 LYS 11 1HE LYS 11 -13.554 -9.008 -4.148
66 HE3 LYS 11 2HE LYS 11 -12.553 -7.773 -3.386
67 HZ1 LYS 11 3HZ LYS 11 -12.172 -7.105 -5.886
68 HZ2 LYS 11 1HZ LYS 11 -13.512 -6.545 -5.018
69 HZ3 LYS 11 2HZ LYS 11 -13.678 -7.849 -6.083
70 H ARG 12 H ARG 12 -7.009 -7.758 -2.088
71 HA ARG 12 HA ARG 12 -8.723 -5.593 -1.145
72 HB2 ARG 12 1HB ARG 12 -6.720 -7.051 0.502
73 HB3 ARG 12 2HB ARG 12 -6.801 -5.304 0.684
74 HG2 ARG 12 1HG ARG 12 -8.946 -5.359 1.540
75 HG3 ARG 12 2HG ARG 12 -9.293 -6.942 0.840
76 HD2 ARG 12 1HD ARG 12 -9.025 -7.387 3.112
77 HD3 ARG 12 2HD ARG 12 -7.464 -7.815 2.414
78 HE ARG 12 HE ARG 12 -7.506 -5.115 3.310
79 HH11 ARG 12 1HH1 ARG 12 -7.225 -8.409 4.401
80 HH12 ARG 12 2HH1 ARG 12 -6.315 -8.000 5.817
81 HH21 ARG 12 1HH2 ARG 12 -6.308 -4.563 5.172
82 HH22 ARG 12 2HH2 ARG 12 -5.795 -5.812 6.255
83 H TYR 13 H TYR 13 -7.168 -3.631 -0.587
84 HA TYR 13 HA TYR 13 -5.590 -3.223 -2.999
85 HB2 TYR 13 1HB TYR 13 -6.100 -1.167 -0.859
86 HB3 TYR 13 2HB TYR 13 -5.746 -0.908 -2.564
87 HD1 TYR 13 HD2 TYR 13 -8.343 -1.932 -0.160
88 HD2 TYR 13 HD1 TYR 13 -7.482 -0.958 -4.211
89 HE1 TYR 13 HE2 TYR 13 -10.753 -1.794 -0.633
90 HE2 TYR 13 HE1 TYR 13 -9.890 -0.816 -4.695
91 HH TYR 13 HH TYR 13 -12.133 -0.339 -2.737
92 H GLU 14 H GLU 14 -3.423 -2.816 -3.055
93 HA GLU 14 HA GLU 14 -1.968 -2.973 -0.499
94 HB2 GLU 14 1HB GLU 14 -1.954 -5.025 -2.171
95 HB3 GLU 14 2HB GLU 14 -0.739 -4.058 -2.994
96 HG2 GLU 14 1HG GLU 14 0.594 -3.985 -0.952
97 HG3 GLU 14 2HG GLU 14 -0.626 -4.950 -0.122
98 H CYS 15 H CYS 15 0.231 -2.061 -0.589
99 HA CYS 15 HA CYS 15 0.211 0.412 -2.132
100 HB2 CYS 15 1HB CYS 15 0.697 0.273 0.382
101 HB3 CYS 15 2HB CYS 15 2.263 -0.389 -0.075
102 H SER 16 H SER 16 2.366 1.176 -2.990
103 HA SER 16 HA SER 16 3.636 -1.042 -4.444
104 HB2 SER 16 1HB SER 16 2.557 0.589 -5.898
105 HB3 SER 16 2HB SER 16 3.458 1.900 -5.137
106 HG SER 16 HG SER 16 4.724 -0.279 -6.426
107 H LYS 17 H LYS 17 4.167 1.306 -2.055
108 HA LYS 17 HA LYS 17 7.066 1.310 -2.433
109 HB2 LYS 17 1HB LYS 17 5.133 2.977 -0.905
110 HB3 LYS 17 2HB LYS 17 6.757 2.821 -0.249
111 HG2 LYS 17 1HG LYS 17 7.059 4.662 -1.535
112 HG3 LYS 17 2HG LYS 17 7.427 3.423 -2.737
113 HD2 LYS 17 1HD LYS 17 4.598 4.295 -2.442
114 HD3 LYS 17 2HD LYS 17 5.728 5.394 -3.237
115 HE2 LYS 17 1HE LYS 17 6.390 3.423 -4.692
116 HE3 LYS 17 2HE LYS 17 4.983 2.590 -4.033
117 HZ1 LYS 17 3HZ LYS 17 4.768 3.905 -6.228
118 HZ2 LYS 17 1HZ LYS 17 4.675 5.264 -5.224
119 HZ3 LYS 17 2HZ LYS 17 3.536 4.022 -5.075
120 H CYS 18 H CYS 18 4.920 0.974 0.399
121 HA CYS 18 HA CYS 18 6.894 -0.722 1.692
122 HB2 CYS 18 1HB CYS 18 5.420 -0.579 3.651
123 HB3 CYS 18 2HB CYS 18 5.784 1.020 3.010
124 H GLN 19 H GLN 19 4.530 -1.240 -0.504
125 HA GLN 19 HA GLN 19 3.195 -2.997 -1.104
126 HB2 GLN 19 1HB GLN 19 4.288 -5.178 -0.983
127 HB3 GLN 19 2HB GLN 19 5.430 -3.935 -1.476
128 HG2 GLN 19 1HG GLN 19 6.443 -3.898 0.672
129 HG3 GLN 19 2HG GLN 19 5.174 -4.915 1.353
130 HE21 GLN 19 1HE2 GLN 19 8.212 -5.108 0.891
131 HE22 GLN 19 2HE2 GLN 19 8.412 -6.701 0.255
132 H ALA 20 H ALA 20 2.439 -1.846 1.356
133 HA ALA 20 HA ALA 20 1.803 -4.066 3.133
134 HB1 ALA 20 3HB ALA 20 2.560 -1.941 4.097
135 HB2 ALA 20 1HB ALA 20 1.153 -1.134 3.406
136 HB3 ALA 20 2HB ALA 20 0.940 -2.372 4.644
137 H THR 21 H THR 21 -0.367 -4.523 3.801
138 HA THR 21 HA THR 21 -2.284 -4.160 1.619
139 HB THR 21 HB THR 21 -3.596 -5.939 2.800
140 HG1 THR 21 HG1 THR 21 -1.238 -6.159 4.391
141 HG21 THR 21 3HG2 THR 21 -2.527 -7.146 1.253
142 HG22 THR 21 1HG2 THR 21 -1.369 -7.574 2.511
143 HG23 THR 21 2HG2 THR 21 -1.047 -6.208 1.444
144 H PHE 22 H PHE 22 -4.198 -3.120 1.847
145 HA PHE 22 HA PHE 22 -4.781 -1.950 4.489
146 HB2 PHE 22 1HB PHE 22 -5.002 -0.747 1.736
147 HB3 PHE 22 2HB PHE 22 -5.892 -0.091 3.106
148 HD1 PHE 22 HD2 PHE 22 -4.636 0.801 5.066
149 HD2 PHE 22 HD1 PHE 22 -2.710 -0.301 1.434
150 HE1 PHE 22 HE2 PHE 22 -2.663 2.118 5.717
151 HE2 PHE 22 HE1 PHE 22 -0.733 1.014 2.079
152 HZ PHE 22 HZ PHE 22 -0.708 2.227 4.223
153 H ASN 23 H ASN 23 -7.115 -1.299 4.727
154 HA ASN 23 HA ASN 23 -8.771 -3.549 3.939
155 HB2 ASN 23 1HB ASN 23 -9.179 -1.242 5.840
156 HB3 ASN 23 2HB ASN 23 -10.464 -2.382 5.452
157 HD21 ASN 23 1HD2 ASN 23 -7.498 -1.873 7.131
158 HD22 ASN 23 2HD2 ASN 23 -7.481 -3.369 7.994
159 H LEU 24 H LEU 24 -8.974 0.004 3.760
160 HA LEU 24 HA LEU 24 -10.999 -0.271 1.654
161 HB2 LEU 24 1HB LEU 24 -10.297 1.872 3.601
162 HB3 LEU 24 2HB LEU 24 -11.060 2.324 2.078
163 HG LEU 24 HG LEU 24 -12.336 0.219 3.764
164 HD11 LEU 24 1HD1 LEU 24 -12.005 3.060 4.489
165 HD12 LEU 24 2HD1 LEU 24 -12.303 1.652 5.507
166 HD13 LEU 24 3HD1 LEU 24 -13.635 2.401 4.628
167 HD21 LEU 24 3HD2 LEU 24 -14.163 2.072 2.720
168 HD22 LEU 24 1HD2 LEU 24 -13.847 0.432 2.152
169 HD23 LEU 24 2HD2 LEU 24 -12.973 1.793 1.448
170 H ARG 25 H ARG 25 -10.872 1.546 -0.040
171 HA ARG 25 HA ARG 25 -8.293 1.333 -1.310
172 HB2 ARG 25 1HB ARG 25 -10.239 1.108 -2.704
173 HB3 ARG 25 2HB ARG 25 -10.878 2.649 -2.148
174 HG2 ARG 25 1HG ARG 25 -9.015 3.808 -3.234
175 HG3 ARG 25 2HG ARG 25 -8.394 2.257 -3.804
176 HD2 ARG 25 1HD ARG 25 -11.215 2.959 -4.426
177 HD3 ARG 25 2HD ARG 25 -9.937 3.787 -5.315
178 HE ARG 25 HE ARG 25 -9.555 0.962 -5.285
179 HH11 ARG 25 1HH1 ARG 25 -11.341 3.531 -6.813
180 HH12 ARG 25 2HH1 ARG 25 -11.582 2.660 -8.292
181 HH21 ARG 25 1HH2 ARG 25 -9.865 -0.194 -7.226
182 HH22 ARG 25 2HH2 ARG 25 -10.743 0.541 -8.525
183 H LYS 26 H LYS 26 -10.398 4.118 -0.562
184 HA LYS 26 HA LYS 26 -8.687 6.173 -1.068
185 HB2 LYS 26 1HB LYS 26 -9.979 7.526 0.394
186 HB3 LYS 26 2HB LYS 26 -11.079 6.317 -0.257
187 HG2 LYS 26 1HG LYS 26 -9.735 5.731 2.324
188 HG3 LYS 26 2HG LYS 26 -11.035 6.925 2.308
189 HD2 LYS 26 1HD LYS 26 -11.334 4.191 1.089
190 HD3 LYS 26 2HD LYS 26 -11.702 4.520 2.784
191 HE2 LYS 26 1HE LYS 26 -13.769 4.855 1.885
192 HE3 LYS 26 2HE LYS 26 -13.118 6.484 1.714
193 HZ1 LYS 26 3HZ LYS 26 -12.641 4.637 -0.490
194 HZ2 LYS 26 1HZ LYS 26 -12.976 6.295 -0.520
195 HZ3 LYS 26 2HZ LYS 26 -14.229 5.183 -0.288
196 H HIS 27 H HIS 27 -8.472 3.869 1.500
197 HA HIS 27 HA HIS 27 -6.819 5.320 3.271
198 HB2 HIS 27 1HB HIS 27 -7.526 2.457 2.874
199 HB3 HIS 27 2HB HIS 27 -6.081 2.808 3.818
200 HD1 HIS 27 HD1 HIS 27 -6.965 2.181 6.093
201 HD2 HIS 27 HD2 HIS 27 -9.392 4.912 4.116
202 HE1 HIS 27 HE1 HIS 27 -8.651 2.939 7.798
203 H LEU 28 H LEU 28 -6.104 3.187 0.544
204 HA LEU 28 HA LEU 28 -3.305 3.129 0.881
205 HB2 LEU 28 1HB LEU 28 -4.186 1.477 -0.505
206 HB3 LEU 28 2HB LEU 28 -5.141 2.632 -1.431
207 HG LEU 28 HG LEU 28 -3.050 3.482 -2.450
208 HD11 LEU 28 1HD1 LEU 28 -1.596 2.739 -0.535
209 HD12 LEU 28 2HD1 LEU 28 -0.972 2.387 -2.146
210 HD13 LEU 28 3HD1 LEU 28 -1.708 1.104 -1.187
211 HD21 LEU 28 3HD2 LEU 28 -3.396 0.505 -2.781
212 HD22 LEU 28 1HD2 LEU 28 -2.740 1.642 -3.960
213 HD23 LEU 28 2HD2 LEU 28 -4.444 1.722 -3.512
214 H ILE 29 H ILE 29 -5.246 4.982 -1.474
215 HA ILE 29 HA ILE 29 -3.270 6.528 -2.574
216 HB ILE 29 HB ILE 29 -6.084 7.404 -1.916
217 HG12 ILE 29 1HG1 ILE 29 -6.185 6.914 -4.520
218 HG13 ILE 29 2HG1 ILE 29 -4.845 5.839 -4.138
219 HG21 ILE 29 1HG2 ILE 29 -4.344 8.539 -4.081
220 HG22 ILE 29 2HG2 ILE 29 -5.837 9.191 -3.406
221 HG23 ILE 29 3HG2 ILE 29 -4.355 9.210 -2.450
222 HD11 ILE 29 3HD1 ILE 29 -7.413 5.097 -4.069
223 HD12 ILE 29 1HD1 ILE 29 -6.162 4.368 -3.063
224 HD13 ILE 29 2HD1 ILE 29 -7.209 5.623 -2.399
225 H GLN 30 H GLN 30 -5.239 7.383 0.273
226 HA GLN 30 HA GLN 30 -3.945 9.796 0.853
227 HB2 GLN 30 1HB GLN 30 -6.122 9.039 1.816
228 HB3 GLN 30 2HB GLN 30 -5.233 7.917 2.838
229 HG2 GLN 30 1HG GLN 30 -4.572 10.826 2.894
230 HG3 GLN 30 2HG GLN 30 -5.974 10.218 3.772
231 HE21 GLN 30 1HE2 GLN 30 -3.130 11.263 4.421
232 HE22 GLN 30 2HE2 GLN 30 -2.582 10.154 5.627
233 H HIS 31 H HIS 31 -3.211 6.484 1.789
234 HA HIS 31 HA HIS 31 -1.229 7.079 3.708
235 HB2 HIS 31 1HB HIS 31 -1.915 4.887 3.869
236 HB3 HIS 31 2HB HIS 31 -1.998 4.672 2.123
237 HD1 HIS 31 HD1 HIS 31 0.550 4.838 4.915
238 HD2 HIS 31 HD2 HIS 31 0.201 3.495 0.999
239 HE1 HIS 31 HE1 HIS 31 2.663 3.555 4.454
240 H GLN 32 H GLN 32 -0.994 6.282 0.250
241 HA GLN 32 HA GLN 32 1.635 6.140 -0.228
242 HB2 GLN 32 1HB GLN 32 -0.555 7.498 -1.735
243 HB3 GLN 32 2HB GLN 32 1.099 7.692 -2.301
244 HG2 GLN 32 1HG GLN 32 1.348 5.360 -2.644
245 HG3 GLN 32 2HG GLN 32 -0.161 5.011 -1.802
246 HE21 GLN 32 1HE2 GLN 32 -0.747 3.833 -3.713
247 HE22 GLN 32 2HE2 GLN 32 -1.385 4.673 -5.082
248 H LYS 33 H LYS 33 -0.103 9.122 0.505
249 HA LYS 33 HA LYS 33 1.746 11.054 -0.008
250 HB2 LYS 33 1HB LYS 33 -0.110 10.783 2.356
251 HB3 LYS 33 2HB LYS 33 0.833 12.235 2.047
252 HG2 LYS 33 1HG LYS 33 -0.272 12.259 -0.251
253 HG3 LYS 33 2HG LYS 33 -1.396 11.071 0.413
254 HD2 LYS 33 1HD LYS 33 -2.083 12.612 2.134
255 HD3 LYS 33 2HD LYS 33 -0.858 13.779 1.630
256 HE2 LYS 33 1HE LYS 33 -2.117 13.528 -0.690
257 HE3 LYS 33 2HE LYS 33 -3.453 13.068 0.366
258 HZ1 LYS 33 3HZ LYS 33 -3.712 15.331 0.216
259 HZ2 LYS 33 1HZ LYS 33 -2.050 15.645 0.166
260 HZ3 LYS 33 2HZ LYS 33 -2.785 15.213 1.626
261 H THR 34 H THR 34 1.582 9.096 2.959
262 HA THR 34 HA THR 34 3.606 10.123 4.443
263 HB THR 34 HB THR 34 4.005 7.903 5.375
264 HG1 THR 34 HG1 THR 34 2.572 6.208 4.251
265 HG21 THR 34 3HG2 THR 34 1.898 9.169 5.903
266 HG22 THR 34 1HG2 THR 34 1.791 7.425 6.138
267 HG23 THR 34 2HG2 THR 34 1.075 8.167 4.708
268 H HIS 35 H HIS 35 3.932 8.099 1.581
269 HA HIS 35 HA HIS 35 6.781 7.835 1.822
270 HB2 HIS 35 1HB HIS 35 4.927 7.276 -0.502
271 HB3 HIS 35 2HB HIS 35 6.635 6.851 -0.454
272 HD1 HIS 35 HD1 HIS 35 6.883 5.601 2.295
273 HD2 HIS 35 HD2 HIS 35 3.678 4.886 -0.251
274 HE1 HIS 35 HE1 HIS 35 5.919 3.398 3.030
275 H ALA 36 H ALA 36 4.564 10.003 0.208
276 HA ALA 36 HA ALA 36 6.188 11.186 -1.685
277 HB1 ALA 36 3HB ALA 36 3.789 11.664 -1.409
278 HB2 ALA 36 1HB ALA 36 4.157 12.593 0.045
279 HB3 ALA 36 2HB ALA 36 4.756 13.134 -1.524
280 H ALA 37 H ALA 37 7.988 12.357 -1.613
281 HA ALA 37 HA ALA 37 9.658 12.743 0.436
282 HB1 ALA 37 3HB ALA 37 9.909 13.458 -2.018
283 HB2 ALA 37 1HB ALA 37 9.273 15.014 -1.483
284 HB3 ALA 37 2HB ALA 37 10.768 14.386 -0.789
285 H LYS 38 H LYS 38 9.635 13.717 2.347
286 HA LYS 38 HA LYS 38 7.667 15.860 2.804
287 HB2 LYS 38 1HB LYS 38 7.582 13.619 4.114
288 HB3 LYS 38 2HB LYS 38 8.959 14.265 4.998
289 HG2 LYS 38 1HG LYS 38 7.717 15.927 5.990
290 HG3 LYS 38 2HG LYS 38 6.490 15.914 4.721
291 HD2 LYS 38 1HD LYS 38 5.411 14.905 6.521
292 HD3 LYS 38 2HD LYS 38 5.964 13.532 5.559
293 HE2 LYS 38 1HE LYS 38 7.617 12.974 7.067
294 HE3 LYS 38 2HE LYS 38 7.716 14.607 7.724
295 HZ1 LYS 38 3HZ LYS 38 5.296 12.959 8.104
296 HZ2 LYS 38 1HZ LYS 38 5.824 14.289 9.006
297 HZ3 LYS 38 2HZ LYS 38 6.624 12.804 9.140
298 H SER 39 H SER 39 10.974 14.814 3.521
299 HA SER 39 HA SER 39 11.616 17.529 4.428
300 HB2 SER 39 1HB SER 39 13.026 14.881 4.752
301 HB3 SER 39 2HB SER 39 13.808 16.415 5.133
302 HG SER 39 HG SER 39 11.926 15.020 6.534
303 H GLY 40 H GLY 40 14.055 18.068 3.859
304 HA2 GLY 40 1HA GLY 40 14.133 18.607 1.105
305 HA3 GLY 40 2HA GLY 40 15.490 18.769 2.211
306 HA PRO 41 HA PRO 41 17.523 15.292 0.492
307 HB2 PRO 41 1HB PRO 41 18.346 13.849 2.639
308 HB3 PRO 41 2HB PRO 41 19.062 15.403 2.194
309 HG2 PRO 41 1HG PRO 41 16.997 14.795 4.275
310 HG3 PRO 41 2HG PRO 41 18.405 15.869 4.376
311 HD2 PRO 41 1HD PRO 41 15.896 16.791 3.942
312 HD3 PRO 41 2HD PRO 41 17.335 17.582 3.265
313 H SER 42 H SER 42 14.616 14.893 2.057
314 HA SER 42 HA SER 42 13.153 13.148 2.366
315 HB2 SER 42 1HB SER 42 13.361 13.684 -0.200
316 HB3 SER 42 2HB SER 42 14.092 12.080 -0.272
317 HG SER 42 HG SER 42 12.195 11.224 0.009
318 H SER 43 H SER 43 15.572 12.603 3.641
319 HA SER 43 HA SER 43 16.923 10.297 3.102
320 HB2 SER 43 1HB SER 43 17.115 10.010 5.605
321 HB3 SER 43 2HB SER 43 17.545 11.613 5.007
322 HG SER 43 HG SER 43 15.143 11.998 5.483
323 H GLY 44 H GLY 44 16.355 8.260 2.751
324 HA2 GLY 44 1HA GLY 44 15.127 6.393 4.049
325 HA3 GLY 44 2HA GLY 44 13.710 7.365 3.680
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 9.609 -26.200 -7.911
2 HA2 GLY 1 1HA GLY 1 8.842 -25.903 -5.668
3 HA3 GLY 1 2HA GLY 1 8.875 -24.164 -5.922
4 H SER 2 H SER 2 7.326 -23.408 -7.710
5 HA SER 2 HA SER 2 5.087 -22.978 -8.032
6 HB2 SER 2 1HB SER 2 4.062 -24.599 -9.472
7 HB3 SER 2 2HB SER 2 5.790 -24.616 -9.822
8 HG SER 2 HG SER 2 4.520 -26.421 -8.042
9 H SER 3 H SER 3 5.518 -23.523 -5.348
10 HA SER 3 HA SER 3 3.423 -25.387 -4.533
11 HB2 SER 3 1HB SER 3 5.449 -25.596 -3.271
12 HB3 SER 3 2HB SER 3 5.515 -23.858 -2.976
13 HG SER 3 HG SER 3 3.485 -25.603 -2.027
14 H GLY 4 H GLY 4 1.593 -24.794 -3.398
15 HA2 GLY 4 1HA GLY 4 1.031 -22.280 -2.327
16 HA3 GLY 4 2HA GLY 4 0.485 -22.263 -3.997
17 H SER 5 H SER 5 0.191 -24.060 -0.955
18 HA SER 5 HA SER 5 -2.324 -25.227 -1.857
19 HB2 SER 5 1HB SER 5 -0.597 -26.584 -0.619
20 HB3 SER 5 2HB SER 5 -0.944 -25.609 0.808
21 HG SER 5 HG SER 5 -3.106 -26.341 0.685
22 H SER 6 H SER 6 -3.525 -23.255 -1.936
23 HA SER 6 HA SER 6 -4.379 -22.333 0.728
24 HB2 SER 6 1HB SER 6 -3.638 -20.756 -1.700
25 HB3 SER 6 2HB SER 6 -4.923 -20.141 -0.660
26 HG SER 6 HG SER 6 -3.402 -20.356 1.100
27 H GLY 7 H GLY 7 -6.571 -21.173 0.571
28 HA2 GLY 7 1HA GLY 7 -8.296 -22.381 -1.476
29 HA3 GLY 7 2HA GLY 7 -8.665 -22.681 0.216
30 H HIS 8 H HIS 8 -8.794 -20.602 1.570
31 HA HIS 8 HA HIS 8 -10.935 -19.074 0.695
32 HB2 HIS 8 1HB HIS 8 -8.835 -18.375 2.757
33 HB3 HIS 8 2HB HIS 8 -10.366 -17.527 2.559
34 HD1 HIS 8 HD1 HIS 8 -12.497 -19.435 2.634
35 HD2 HIS 8 HD2 HIS 8 -9.003 -20.161 4.762
36 HE1 HIS 8 HE1 HIS 8 -13.122 -21.111 4.402
37 H THR 9 H THR 9 -11.071 -17.624 -0.871
38 HA THR 9 HA THR 9 -8.704 -16.406 -1.986
39 HB THR 9 HB THR 9 -10.284 -15.343 -3.588
40 HG1 THR 9 HG1 THR 9 -12.359 -16.935 -2.563
41 HG21 THR 9 3HG2 THR 9 -9.632 -17.274 -4.571
42 HG22 THR 9 1HG2 THR 9 -11.301 -17.752 -4.267
43 HG23 THR 9 2HG2 THR 9 -10.025 -18.251 -3.157
44 H ARG 10 H ARG 10 -8.182 -14.233 -2.004
45 HA ARG 10 HA ARG 10 -9.856 -12.351 -0.548
46 HB2 ARG 10 1HB ARG 10 -7.171 -13.294 0.382
47 HB3 ARG 10 2HB ARG 10 -7.657 -11.632 0.689
48 HG2 ARG 10 1HG ARG 10 -9.561 -12.358 1.951
49 HG3 ARG 10 2HG ARG 10 -9.257 -14.042 1.520
50 HD2 ARG 10 1HD ARG 10 -7.353 -12.309 3.088
51 HD3 ARG 10 2HD ARG 10 -8.507 -13.428 3.813
52 HE ARG 10 HE ARG 10 -6.700 -14.593 1.876
53 HH11 ARG 10 1HH1 ARG 10 -7.319 -13.877 5.226
54 HH12 ARG 10 2HH1 ARG 10 -6.243 -15.098 5.821
55 HH21 ARG 10 1HH2 ARG 10 -5.280 -16.203 2.646
56 HH22 ARG 10 2HH2 ARG 10 -5.083 -16.420 4.353
57 H LYS 11 H LYS 11 -9.529 -10.225 -1.128
58 HA LYS 11 HA LYS 11 -7.300 -9.551 -2.876
59 HB2 LYS 11 1HB LYS 11 -10.173 -9.604 -3.724
60 HB3 LYS 11 2HB LYS 11 -9.086 -8.405 -4.412
61 HG2 LYS 11 1HG LYS 11 -7.579 -10.527 -4.842
62 HG3 LYS 11 2HG LYS 11 -9.138 -11.351 -4.770
63 HD2 LYS 11 1HD LYS 11 -8.859 -8.900 -6.451
64 HD3 LYS 11 2HD LYS 11 -8.213 -10.431 -7.047
65 HE2 LYS 11 1HE LYS 11 -10.456 -10.160 -7.868
66 HE3 LYS 11 2HE LYS 11 -10.438 -11.458 -6.675
67 HZ1 LYS 11 3HZ LYS 11 -12.068 -9.236 -6.687
68 HZ2 LYS 11 1HZ LYS 11 -10.962 -8.963 -5.435
69 HZ3 LYS 11 2HZ LYS 11 -11.902 -10.369 -5.442
70 H ARG 12 H ARG 12 -6.471 -7.771 -2.018
71 HA ARG 12 HA ARG 12 -8.228 -5.542 -1.363
72 HB2 ARG 12 1HB ARG 12 -6.226 -6.647 0.615
73 HB3 ARG 12 2HB ARG 12 -7.184 -5.188 0.827
74 HG2 ARG 12 1HG ARG 12 -9.164 -6.382 1.105
75 HG3 ARG 12 2HG ARG 12 -8.489 -7.846 0.386
76 HD2 ARG 12 1HD ARG 12 -7.144 -8.266 2.294
77 HD3 ARG 12 2HD ARG 12 -7.470 -6.666 2.959
78 HE ARG 12 HE ARG 12 -9.889 -8.077 2.664
79 HH11 ARG 12 1HH1 ARG 12 -7.000 -8.037 4.605
80 HH12 ARG 12 2HH1 ARG 12 -7.771 -8.714 6.001
81 HH21 ARG 12 1HH2 ARG 12 -10.917 -8.969 4.495
82 HH22 ARG 12 2HH2 ARG 12 -9.999 -9.245 5.937
83 H TYR 13 H TYR 13 -7.235 -3.528 -1.487
84 HA TYR 13 HA TYR 13 -5.248 -3.144 -3.333
85 HB2 TYR 13 1HB TYR 13 -5.675 -1.283 -0.996
86 HB3 TYR 13 2HB TYR 13 -5.142 -0.869 -2.621
87 HD1 TYR 13 HD1 TYR 13 -6.818 -1.276 -4.539
88 HD2 TYR 13 HD2 TYR 13 -7.933 -1.147 -0.435
89 HE1 TYR 13 HE1 TYR 13 -9.146 -0.824 -5.192
90 HE2 TYR 13 HE2 TYR 13 -10.265 -0.697 -1.076
91 HH TYR 13 HH TYR 13 -11.595 -1.309 -3.727
92 H GLU 14 H GLU 14 -3.038 -2.643 -3.250
93 HA GLU 14 HA GLU 14 -1.637 -3.150 -0.732
94 HB2 GLU 14 1HB GLU 14 -1.784 -5.293 -2.034
95 HB3 GLU 14 2HB GLU 14 -0.856 -4.517 -3.309
96 HG2 GLU 14 1HG GLU 14 0.994 -4.173 -1.734
97 HG3 GLU 14 2HG GLU 14 0.065 -5.000 -0.485
98 H CYS 15 H CYS 15 0.560 -2.385 -0.713
99 HA CYS 15 HA CYS 15 0.982 -0.204 -2.642
100 HB2 CYS 15 1HB CYS 15 0.751 0.373 -0.200
101 HB3 CYS 15 2HB CYS 15 2.247 -0.510 0.086
102 H SER 16 H SER 16 2.513 -0.484 -4.110
103 HA SER 16 HA SER 16 4.401 -2.656 -3.872
104 HB2 SER 16 1HB SER 16 3.328 -2.189 -6.032
105 HB3 SER 16 2HB SER 16 4.058 -0.583 -6.053
106 HG SER 16 HG SER 16 5.477 -1.737 -7.187
107 H LYS 17 H LYS 17 4.461 -0.024 -2.251
108 HA LYS 17 HA LYS 17 7.240 0.731 -2.861
109 HB2 LYS 17 1HB LYS 17 5.453 2.522 -2.875
110 HB3 LYS 17 2HB LYS 17 5.281 2.258 -1.145
111 HG2 LYS 17 1HG LYS 17 7.319 3.192 -0.658
112 HG3 LYS 17 2HG LYS 17 7.980 2.849 -2.258
113 HD2 LYS 17 1HD LYS 17 6.250 4.538 -3.118
114 HD3 LYS 17 2HD LYS 17 6.091 5.033 -1.430
115 HE2 LYS 17 1HE LYS 17 8.707 4.942 -2.925
116 HE3 LYS 17 2HE LYS 17 7.710 6.388 -2.773
117 HZ1 LYS 17 3HZ LYS 17 7.890 5.765 -0.239
118 HZ2 LYS 17 1HZ LYS 17 9.092 6.673 -1.010
119 HZ3 LYS 17 2HZ LYS 17 9.318 5.017 -0.752
120 H CYS 18 H CYS 18 5.033 0.041 -0.162
121 HA CYS 18 HA CYS 18 7.386 -0.690 1.457
122 HB2 CYS 18 1HB CYS 18 5.997 -0.161 3.447
123 HB3 CYS 18 2HB CYS 18 6.273 1.237 2.414
124 H GLN 19 H GLN 19 4.983 -1.997 -0.293
125 HA GLN 19 HA GLN 19 3.973 -4.032 -0.384
126 HB2 GLN 19 1HB GLN 19 6.110 -4.731 1.637
127 HB3 GLN 19 2HB GLN 19 5.096 -5.901 0.804
128 HG2 GLN 19 1HG GLN 19 6.887 -3.970 -0.639
129 HG3 GLN 19 2HG GLN 19 7.409 -5.573 -0.125
130 HE21 GLN 19 1HE2 GLN 19 7.629 -5.153 -2.693
131 HE22 GLN 19 2HE2 GLN 19 6.377 -5.928 -3.597
132 H ALA 20 H ALA 20 2.604 -2.263 1.122
133 HA ALA 20 HA ALA 20 1.723 -3.822 3.464
134 HB1 ALA 20 3HB ALA 20 2.412 -1.823 4.381
135 HB2 ALA 20 1HB ALA 20 1.892 -0.880 2.984
136 HB3 ALA 20 2HB ALA 20 0.696 -1.517 4.113
137 H THR 21 H THR 21 -0.390 -4.381 3.651
138 HA THR 21 HA THR 21 -2.089 -3.850 1.321
139 HB THR 21 HB THR 21 -3.475 -5.725 2.127
140 HG1 THR 21 HG1 THR 21 -3.199 -6.474 4.084
141 HG21 THR 21 3HG2 THR 21 -1.055 -7.216 2.220
142 HG22 THR 21 1HG2 THR 21 -0.827 -5.870 1.106
143 HG23 THR 21 2HG2 THR 21 -2.159 -7.000 0.862
144 H PHE 22 H PHE 22 -4.106 -2.947 1.483
145 HA PHE 22 HA PHE 22 -4.859 -1.899 4.133
146 HB2 PHE 22 1HB PHE 22 -5.158 -0.576 1.430
147 HB3 PHE 22 2HB PHE 22 -5.850 0.047 2.924
148 HD1 PHE 22 HD2 PHE 22 -4.409 0.946 4.681
149 HD2 PHE 22 HD1 PHE 22 -2.823 -0.374 0.958
150 HE1 PHE 22 HE2 PHE 22 -2.313 2.145 5.153
151 HE2 PHE 22 HE1 PHE 22 -0.724 0.822 1.425
152 HZ PHE 22 HZ PHE 22 -0.467 2.084 3.524
153 H ASN 23 H ASN 23 -7.269 -1.150 4.062
154 HA ASN 23 HA ASN 23 -8.817 -3.363 2.888
155 HB2 ASN 23 1HB ASN 23 -8.839 -3.372 5.330
156 HB3 ASN 23 2HB ASN 23 -9.396 -1.701 5.350
157 HD21 ASN 23 1HD2 ASN 23 -10.462 -4.533 6.087
158 HD22 ASN 23 2HD2 ASN 23 -12.093 -4.476 5.519
159 H LEU 24 H LEU 24 -8.998 0.091 3.712
160 HA LEU 24 HA LEU 24 -11.250 0.422 1.885
161 HB2 LEU 24 1HB LEU 24 -9.989 2.104 4.006
162 HB3 LEU 24 2HB LEU 24 -10.979 2.867 2.764
163 HG LEU 24 HG LEU 24 -12.067 0.591 4.378
164 HD11 LEU 24 1HD1 LEU 24 -12.357 1.790 6.238
165 HD12 LEU 24 2HD1 LEU 24 -12.764 3.254 5.343
166 HD13 LEU 24 3HD1 LEU 24 -11.075 2.826 5.611
167 HD21 LEU 24 3HD2 LEU 24 -13.413 3.010 3.191
168 HD22 LEU 24 1HD2 LEU 24 -14.175 1.550 3.824
169 HD23 LEU 24 2HD2 LEU 24 -13.225 1.476 2.340
170 H ARG 25 H ARG 25 -11.179 1.590 0.015
171 HA ARG 25 HA ARG 25 -8.783 1.744 -1.408
172 HB2 ARG 25 1HB ARG 25 -11.194 1.736 -2.288
173 HB3 ARG 25 2HB ARG 25 -11.176 3.471 -2.002
174 HG2 ARG 25 1HG ARG 25 -9.500 3.825 -3.613
175 HG3 ARG 25 2HG ARG 25 -9.108 2.106 -3.695
176 HD2 ARG 25 1HD ARG 25 -10.355 2.495 -5.629
177 HD3 ARG 25 2HD ARG 25 -11.518 1.792 -4.505
178 HE ARG 25 HE ARG 25 -11.455 4.667 -4.469
179 HH11 ARG 25 1HH1 ARG 25 -12.811 1.846 -5.993
180 HH12 ARG 25 2HH1 ARG 25 -14.228 2.671 -6.555
181 HH21 ARG 25 1HH2 ARG 25 -13.315 5.764 -5.203
182 HH22 ARG 25 2HH2 ARG 25 -14.513 4.899 -6.106
183 H LYS 26 H LYS 26 -10.598 4.277 0.288
184 HA LYS 26 HA LYS 26 -8.994 6.451 -0.419
185 HB2 LYS 26 1HB LYS 26 -9.912 7.545 1.601
186 HB3 LYS 26 2HB LYS 26 -11.155 6.765 0.631
187 HG2 LYS 26 1HG LYS 26 -10.985 4.801 2.198
188 HG3 LYS 26 2HG LYS 26 -9.979 5.821 3.230
189 HD2 LYS 26 1HD LYS 26 -12.651 6.797 2.303
190 HD3 LYS 26 2HD LYS 26 -12.542 5.676 3.663
191 HE2 LYS 26 1HE LYS 26 -11.393 7.195 4.986
192 HE3 LYS 26 2HE LYS 26 -10.844 8.138 3.601
193 HZ1 LYS 26 3HZ LYS 26 -13.432 8.502 3.353
194 HZ2 LYS 26 1HZ LYS 26 -12.482 9.490 4.345
195 HZ3 LYS 26 2HZ LYS 26 -13.391 8.235 5.023
196 H HIS 27 H HIS 27 -8.777 4.271 2.377
197 HA HIS 27 HA HIS 27 -6.761 5.408 3.818
198 HB2 HIS 27 1HB HIS 27 -7.508 2.564 3.283
199 HB3 HIS 27 2HB HIS 27 -6.022 2.895 4.169
200 HD1 HIS 27 HD1 HIS 27 -7.144 1.760 6.257
201 HD2 HIS 27 HD2 HIS 27 -8.982 5.251 4.954
202 HE1 HIS 27 HE1 HIS 27 -8.657 2.465 8.138
203 H LEU 28 H LEU 28 -6.447 3.520 0.854
204 HA LEU 28 HA LEU 28 -3.615 3.401 0.858
205 HB2 LEU 28 1HB LEU 28 -4.731 1.824 -0.475
206 HB3 LEU 28 2HB LEU 28 -5.707 3.061 -1.266
207 HG LEU 28 HG LEU 28 -3.609 3.874 -2.376
208 HD11 LEU 28 1HD1 LEU 28 -1.651 2.539 -2.378
209 HD12 LEU 28 2HD1 LEU 28 -2.445 1.251 -1.472
210 HD13 LEU 28 3HD1 LEU 28 -2.091 2.791 -0.689
211 HD21 LEU 28 3HD2 LEU 28 -4.501 1.041 -2.896
212 HD22 LEU 28 1HD2 LEU 28 -3.544 2.019 -4.009
213 HD23 LEU 28 2HD2 LEU 28 -5.185 2.511 -3.590
214 H ILE 29 H ILE 29 -5.876 5.450 -0.987
215 HA ILE 29 HA ILE 29 -4.046 7.026 -2.318
216 HB ILE 29 HB ILE 29 -6.701 7.910 -1.180
217 HG12 ILE 29 1HG1 ILE 29 -6.277 7.184 -4.044
218 HG13 ILE 29 2HG1 ILE 29 -6.420 5.881 -2.869
219 HG21 ILE 29 1HG2 ILE 29 -6.654 9.737 -2.660
220 HG22 ILE 29 2HG2 ILE 29 -5.062 9.711 -1.903
221 HG23 ILE 29 3HG2 ILE 29 -5.270 9.092 -3.541
222 HD11 ILE 29 3HD1 ILE 29 -8.514 7.641 -2.304
223 HD12 ILE 29 1HD1 ILE 29 -8.464 7.494 -4.060
224 HD13 ILE 29 2HD1 ILE 29 -8.614 6.050 -3.058
225 H GLN 30 H GLN 30 -5.454 7.584 0.900
226 HA GLN 30 HA GLN 30 -4.023 9.977 1.400
227 HB2 GLN 30 1HB GLN 30 -6.025 9.531 2.646
228 HB3 GLN 30 2HB GLN 30 -5.374 8.015 3.253
229 HG2 GLN 30 1HG GLN 30 -5.027 9.312 5.074
230 HG3 GLN 30 2HG GLN 30 -3.514 9.619 4.224
231 HE21 GLN 30 1HE2 GLN 30 -6.720 10.882 4.887
232 HE22 GLN 30 2HE2 GLN 30 -6.331 12.541 4.599
233 H HIS 31 H HIS 31 -3.378 6.582 2.080
234 HA HIS 31 HA HIS 31 -1.188 6.897 3.792
235 HB2 HIS 31 1HB HIS 31 -1.939 4.716 3.728
236 HB3 HIS 31 2HB HIS 31 -2.145 4.725 1.979
237 HD1 HIS 31 HD1 HIS 31 0.648 4.616 4.546
238 HD2 HIS 31 HD2 HIS 31 -0.117 3.540 0.607
239 HE1 HIS 31 HE1 HIS 31 2.677 3.336 3.792
240 H GLN 32 H GLN 32 -1.187 6.318 0.271
241 HA GLN 32 HA GLN 32 1.414 6.321 -0.363
242 HB2 GLN 32 1HB GLN 32 -0.691 7.972 -1.771
243 HB3 GLN 32 2HB GLN 32 0.858 7.506 -2.461
244 HG2 GLN 32 1HG GLN 32 0.256 5.267 -2.620
245 HG3 GLN 32 2HG GLN 32 -1.063 5.442 -1.464
246 HE21 GLN 32 1HE2 GLN 32 -1.152 4.303 -4.108
247 HE22 GLN 32 2HE2 GLN 32 -2.286 5.238 -5.016
248 H LYS 33 H LYS 33 -0.445 9.287 0.262
249 HA LYS 33 HA LYS 33 1.341 11.252 -0.207
250 HB2 LYS 33 1HB LYS 33 -0.456 10.973 2.206
251 HB3 LYS 33 2HB LYS 33 0.377 12.461 1.774
252 HG2 LYS 33 1HG LYS 33 -0.841 12.590 -0.303
253 HG3 LYS 33 2HG LYS 33 -1.607 11.031 0.016
254 HD2 LYS 33 1HD LYS 33 -2.819 11.917 1.865
255 HD3 LYS 33 2HD LYS 33 -1.891 13.418 1.833
256 HE2 LYS 33 1HE LYS 33 -4.064 13.799 0.861
257 HE3 LYS 33 2HE LYS 33 -2.834 13.909 -0.397
258 HZ1 LYS 33 3HZ LYS 33 -3.743 12.223 -1.498
259 HZ2 LYS 33 1HZ LYS 33 -5.085 12.371 -0.477
260 HZ3 LYS 33 2HZ LYS 33 -3.864 11.258 -0.114
261 H THR 34 H THR 34 1.226 9.367 2.813
262 HA THR 34 HA THR 34 3.235 10.476 4.257
263 HB THR 34 HB THR 34 3.694 8.277 5.236
264 HG1 THR 34 HG1 THR 34 3.102 6.444 4.252
265 HG21 THR 34 3HG2 THR 34 1.424 9.633 5.479
266 HG22 THR 34 1HG2 THR 34 1.660 8.072 6.263
267 HG23 THR 34 2HG2 THR 34 0.762 8.171 4.749
268 H HIS 35 H HIS 35 3.615 8.255 1.532
269 HA HIS 35 HA HIS 35 6.436 8.018 1.743
270 HB2 HIS 35 1HB HIS 35 4.540 7.529 -0.558
271 HB3 HIS 35 2HB HIS 35 6.264 7.173 -0.628
272 HD1 HIS 35 HD1 HIS 35 6.763 5.782 1.990
273 HD2 HIS 35 HD2 HIS 35 3.360 5.111 -0.298
274 HE1 HIS 35 HE1 HIS 35 5.919 3.517 2.687
275 H ALA 36 H ALA 36 4.294 10.209 0.016
276 HA ALA 36 HA ALA 36 4.718 11.999 -1.359
277 HB1 ALA 36 3HB ALA 36 6.826 13.267 -0.081
278 HB2 ALA 36 1HB ALA 36 5.107 13.484 0.251
279 HB3 ALA 36 2HB ALA 36 6.047 12.325 1.191
280 H ALA 37 H ALA 37 6.104 9.627 -2.184
281 HA ALA 37 HA ALA 37 8.756 9.744 -2.741
282 HB1 ALA 37 3HB ALA 37 6.954 9.027 -5.001
283 HB2 ALA 37 1HB ALA 37 8.396 8.208 -4.402
284 HB3 ALA 37 2HB ALA 37 6.877 8.081 -3.515
285 H LYS 38 H LYS 38 9.948 10.385 -4.686
286 HA LYS 38 HA LYS 38 8.985 12.972 -5.713
287 HB2 LYS 38 1HB LYS 38 11.790 11.953 -5.251
288 HB3 LYS 38 2HB LYS 38 11.432 13.433 -6.132
289 HG2 LYS 38 1HG LYS 38 10.360 13.050 -3.373
290 HG3 LYS 38 2HG LYS 38 12.038 13.539 -3.613
291 HD2 LYS 38 1HD LYS 38 9.838 14.993 -5.026
292 HD3 LYS 38 2HD LYS 38 10.188 15.351 -3.333
293 HE2 LYS 38 1HE LYS 38 12.546 15.778 -3.958
294 HE3 LYS 38 2HE LYS 38 12.113 15.524 -5.648
295 HZ1 LYS 38 3HZ LYS 38 10.353 17.354 -5.103
296 HZ2 LYS 38 1HZ LYS 38 11.944 17.780 -5.491
297 HZ3 LYS 38 2HZ LYS 38 11.444 17.761 -3.876
298 H SER 39 H SER 39 7.845 12.030 -7.453
299 HA SER 39 HA SER 39 9.593 11.001 -9.591
300 HB2 SER 39 1HB SER 39 7.573 9.714 -10.395
301 HB3 SER 39 2HB SER 39 8.253 9.149 -8.869
302 HG SER 39 HG SER 39 6.286 9.392 -8.169
303 H GLY 40 H GLY 40 6.387 12.463 -9.018
304 HA2 GLY 40 1HA GLY 40 6.785 14.733 -10.572
305 HA3 GLY 40 2HA GLY 40 6.135 13.502 -11.645
306 HA PRO 41 HA PRO 41 2.812 14.563 -8.249
307 HB2 PRO 41 1HB PRO 41 3.107 17.022 -7.137
308 HB3 PRO 41 2HB PRO 41 3.805 15.559 -6.432
309 HG2 PRO 41 1HG PRO 41 5.109 17.653 -8.128
310 HG3 PRO 41 2HG PRO 41 5.725 16.849 -6.672
311 HD2 PRO 41 1HD PRO 41 6.488 16.126 -9.167
312 HD3 PRO 41 2HD PRO 41 6.367 14.963 -7.831
313 H SER 42 H SER 42 0.962 15.181 -9.173
314 HA SER 42 HA SER 42 1.049 17.217 -11.268
315 HB2 SER 42 1HB SER 42 -0.917 15.047 -10.558
316 HB3 SER 42 2HB SER 42 -1.342 16.341 -11.679
317 HG SER 42 HG SER 42 -0.284 15.295 -13.146
318 H SER 43 H SER 43 0.948 19.179 -10.283
319 HA SER 43 HA SER 43 -1.274 19.656 -8.415
320 HB2 SER 43 1HB SER 43 -0.012 21.664 -7.708
321 HB3 SER 43 2HB SER 43 0.926 20.186 -7.491
322 HG SER 43 HG SER 43 1.185 21.557 -9.909
323 H GLY 44 H GLY 44 -2.788 19.805 -10.180
324 HA2 GLY 44 1HA GLY 44 -3.900 20.875 -11.906
325 HA3 GLY 44 2HA GLY 44 -3.642 22.272 -10.872
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 -11.037 -33.243 -14.235
2 HA2 GLY 1 1HA GLY 1 -12.943 -31.113 -13.494
3 HA3 GLY 1 2HA GLY 1 -12.463 -32.347 -12.338
4 H SER 2 H SER 2 -12.154 -29.517 -12.034
5 HA SER 2 HA SER 2 -9.267 -29.110 -12.307
6 HB2 SER 2 1HB SER 2 -9.699 -26.774 -11.851
7 HB3 SER 2 2HB SER 2 -10.844 -27.324 -13.074
8 HG SER 2 HG SER 2 -11.742 -26.052 -11.298
9 H SER 3 H SER 3 -8.008 -28.367 -10.513
10 HA SER 3 HA SER 3 -9.138 -28.752 -7.851
11 HB2 SER 3 1HB SER 3 -7.558 -30.381 -7.155
12 HB3 SER 3 2HB SER 3 -8.166 -30.956 -8.707
13 HG SER 3 HG SER 3 -6.146 -30.994 -9.264
14 H GLY 4 H GLY 4 -8.367 -27.313 -6.429
15 HA2 GLY 4 1HA GLY 4 -6.802 -25.907 -5.408
16 HA3 GLY 4 2HA GLY 4 -5.707 -26.186 -6.754
17 H SER 5 H SER 5 -8.937 -24.754 -6.250
18 HA SER 5 HA SER 5 -8.159 -22.594 -8.088
19 HB2 SER 5 1HB SER 5 -10.833 -23.750 -7.322
20 HB3 SER 5 2HB SER 5 -10.704 -22.164 -8.082
21 HG SER 5 HG SER 5 -9.336 -23.430 -9.681
22 H SER 6 H SER 6 -6.982 -21.471 -6.449
23 HA SER 6 HA SER 6 -8.598 -19.591 -5.014
24 HB2 SER 6 1HB SER 6 -7.753 -20.100 -2.769
25 HB3 SER 6 2HB SER 6 -8.639 -21.477 -3.425
26 HG SER 6 HG SER 6 -5.832 -21.248 -3.662
27 H GLY 7 H GLY 7 -7.033 -18.214 -3.529
28 HA2 GLY 7 1HA GLY 7 -4.379 -17.935 -3.708
29 HA3 GLY 7 2HA GLY 7 -4.883 -17.380 -5.298
30 H HIS 8 H HIS 8 -6.078 -15.456 -5.487
31 HA HIS 8 HA HIS 8 -5.755 -13.668 -3.185
32 HB2 HIS 8 1HB HIS 8 -6.283 -11.907 -5.035
33 HB3 HIS 8 2HB HIS 8 -4.692 -12.661 -4.990
34 HD1 HIS 8 HD1 HIS 8 -4.203 -12.460 -7.470
35 HD2 HIS 8 HD2 HIS 8 -7.768 -14.435 -6.663
36 HE1 HIS 8 HE1 HIS 8 -4.938 -13.443 -9.664
37 H THR 9 H THR 9 -7.642 -14.516 -2.116
38 HA THR 9 HA THR 9 -10.226 -14.317 -3.326
39 HB THR 9 HB THR 9 -9.530 -14.589 -0.395
40 HG1 THR 9 HG1 THR 9 -9.646 -16.406 -2.518
41 HG21 THR 9 3HG2 THR 9 -12.026 -14.270 -1.777
42 HG22 THR 9 1HG2 THR 9 -11.724 -14.418 -0.046
43 HG23 THR 9 2HG2 THR 9 -11.957 -15.865 -1.028
44 H ARG 10 H ARG 10 -8.770 -12.568 -0.573
45 HA ARG 10 HA ARG 10 -10.771 -10.577 -0.483
46 HB2 ARG 10 1HB ARG 10 -7.936 -10.563 0.567
47 HB3 ARG 10 2HB ARG 10 -9.142 -9.340 0.946
48 HG2 ARG 10 1HG ARG 10 -10.514 -10.960 2.069
49 HG3 ARG 10 2HG ARG 10 -9.441 -12.269 1.569
50 HD2 ARG 10 1HD ARG 10 -8.823 -11.834 3.780
51 HD3 ARG 10 2HD ARG 10 -7.608 -10.995 2.817
52 HE ARG 10 HE ARG 10 -8.434 -8.976 3.567
53 HH11 ARG 10 1HH1 ARG 10 -10.556 -11.568 4.515
54 HH12 ARG 10 2HH1 ARG 10 -11.484 -10.587 5.600
55 HH21 ARG 10 1HH2 ARG 10 -9.648 -7.673 4.993
56 HH22 ARG 10 2HH2 ARG 10 -10.967 -8.371 5.871
57 H LYS 11 H LYS 11 -10.706 -8.397 -1.126
58 HA LYS 11 HA LYS 11 -9.104 -7.944 -3.531
59 HB2 LYS 11 1HB LYS 11 -11.690 -7.619 -3.318
60 HB3 LYS 11 2HB LYS 11 -11.254 -6.089 -2.568
61 HG2 LYS 11 1HG LYS 11 -11.514 -5.460 -4.754
62 HG3 LYS 11 2HG LYS 11 -9.781 -5.788 -4.699
63 HD2 LYS 11 1HD LYS 11 -10.533 -6.849 -6.654
64 HD3 LYS 11 2HD LYS 11 -10.375 -8.148 -5.469
65 HE2 LYS 11 1HE LYS 11 -12.834 -7.837 -4.986
66 HE3 LYS 11 2HE LYS 11 -12.893 -6.786 -6.401
67 HZ1 LYS 11 3HZ LYS 11 -12.716 -8.518 -7.805
68 HZ2 LYS 11 1HZ LYS 11 -13.335 -9.401 -6.501
69 HZ3 LYS 11 2HZ LYS 11 -11.671 -9.391 -6.801
70 H ARG 12 H ARG 12 -8.673 -7.446 -0.374
71 HA ARG 12 HA ARG 12 -8.175 -4.908 0.291
72 HB2 ARG 12 1HB ARG 12 -6.132 -5.674 1.499
73 HB3 ARG 12 2HB ARG 12 -7.539 -6.694 1.768
74 HG2 ARG 12 1HG ARG 12 -6.508 -8.062 -0.232
75 HG3 ARG 12 2HG ARG 12 -5.022 -7.276 0.305
76 HD2 ARG 12 1HD ARG 12 -6.796 -8.601 2.307
77 HD3 ARG 12 2HD ARG 12 -5.737 -9.587 1.300
78 HE ARG 12 HE ARG 12 -4.064 -7.709 2.276
79 HH11 ARG 12 1HH1 ARG 12 -6.365 -9.850 3.773
80 HH12 ARG 12 2HH1 ARG 12 -5.481 -9.973 5.258
81 HH21 ARG 12 1HH2 ARG 12 -2.891 -7.863 4.226
82 HH22 ARG 12 2HH2 ARG 12 -3.505 -8.842 5.515
83 H TYR 13 H TYR 13 -6.744 -3.274 -0.136
84 HA TYR 13 HA TYR 13 -5.386 -3.417 -2.690
85 HB2 TYR 13 1HB TYR 13 -5.738 -1.144 -0.726
86 HB3 TYR 13 2HB TYR 13 -4.947 -0.993 -2.291
87 HD1 TYR 13 HD2 TYR 13 -8.176 -2.190 -0.836
88 HD2 TYR 13 HD1 TYR 13 -6.210 -0.261 -4.080
89 HE1 TYR 13 HE2 TYR 13 -10.355 -1.752 -1.888
90 HE2 TYR 13 HE1 TYR 13 -8.384 0.183 -5.141
91 HH TYR 13 HH TYR 13 -10.591 0.035 -4.949
92 H GLU 14 H GLU 14 -3.175 -2.937 -3.016
93 HA GLU 14 HA GLU 14 -1.478 -3.315 -0.637
94 HB2 GLU 14 1HB GLU 14 -1.451 -4.699 -3.269
95 HB3 GLU 14 2HB GLU 14 0.104 -4.340 -2.531
96 HG2 GLU 14 1HG GLU 14 -0.249 -6.395 -1.651
97 HG3 GLU 14 2HG GLU 14 -1.051 -5.423 -0.418
98 H CYS 15 H CYS 15 0.632 -2.359 -0.734
99 HA CYS 15 HA CYS 15 0.699 0.008 -2.480
100 HB2 CYS 15 1HB CYS 15 0.653 0.479 -0.064
101 HB3 CYS 15 2HB CYS 15 2.114 -0.481 0.150
102 H SER 16 H SER 16 2.196 0.135 -4.014
103 HA SER 16 HA SER 16 4.186 -1.950 -4.247
104 HB2 SER 16 1HB SER 16 2.785 -0.897 -6.159
105 HB3 SER 16 2HB SER 16 3.962 0.415 -6.093
106 HG SER 16 HG SER 16 4.207 -1.852 -7.365
107 H LYS 17 H LYS 17 4.291 0.262 -2.163
108 HA LYS 17 HA LYS 17 6.991 1.254 -2.808
109 HB2 LYS 17 1HB LYS 17 4.925 2.859 -2.383
110 HB3 LYS 17 2HB LYS 17 5.324 2.550 -0.698
111 HG2 LYS 17 1HG LYS 17 6.547 4.440 -1.101
112 HG3 LYS 17 2HG LYS 17 7.741 3.189 -1.457
113 HD2 LYS 17 1HD LYS 17 5.984 4.340 -3.603
114 HD3 LYS 17 2HD LYS 17 7.490 5.126 -3.124
115 HE2 LYS 17 1HE LYS 17 8.432 2.668 -3.453
116 HE3 LYS 17 2HE LYS 17 7.047 2.550 -4.537
117 HZ1 LYS 17 3HZ LYS 17 9.083 4.703 -4.691
118 HZ2 LYS 17 1HZ LYS 17 7.851 4.380 -5.804
119 HZ3 LYS 17 2HZ LYS 17 9.133 3.292 -5.622
120 H CYS 18 H CYS 18 4.908 0.315 -0.073
121 HA CYS 18 HA CYS 18 7.325 -0.651 1.310
122 HB2 CYS 18 1HB CYS 18 6.087 -0.292 3.424
123 HB3 CYS 18 2HB CYS 18 6.309 1.199 2.515
124 H GLN 19 H GLN 19 4.831 -1.731 -0.441
125 HA GLN 19 HA GLN 19 3.730 -3.709 -0.664
126 HB2 GLN 19 1HB GLN 19 6.216 -4.446 0.813
127 HB3 GLN 19 2HB GLN 19 4.959 -5.662 0.636
128 HG2 GLN 19 1HG GLN 19 5.032 -5.142 -1.853
129 HG3 GLN 19 2HG GLN 19 6.531 -4.280 -1.508
130 HE21 GLN 19 1HE2 GLN 19 8.312 -5.415 -1.725
131 HE22 GLN 19 2HE2 GLN 19 8.450 -7.132 -1.604
132 H ALA 20 H ALA 20 2.432 -2.161 1.044
133 HA ALA 20 HA ALA 20 1.873 -3.769 3.438
134 HB1 ALA 20 3HB ALA 20 0.395 -1.471 3.698
135 HB2 ALA 20 1HB ALA 20 1.989 -1.757 4.399
136 HB3 ALA 20 2HB ALA 20 1.841 -0.914 2.856
137 H THR 21 H THR 21 -0.592 -3.390 4.104
138 HA THR 21 HA THR 21 -2.280 -3.883 1.747
139 HB THR 21 HB THR 21 -3.491 -5.644 3.018
140 HG1 THR 21 HG1 THR 21 -1.316 -5.317 4.833
141 HG21 THR 21 3HG2 THR 21 -2.191 -7.190 2.051
142 HG22 THR 21 1HG2 THR 21 -0.813 -6.785 3.073
143 HG23 THR 21 2HG2 THR 21 -1.126 -5.857 1.606
144 H PHE 22 H PHE 22 -4.455 -3.291 1.952
145 HA PHE 22 HA PHE 22 -5.233 -1.906 4.415
146 HB2 PHE 22 1HB PHE 22 -5.368 -0.734 1.631
147 HB3 PHE 22 2HB PHE 22 -6.193 -0.049 3.028
148 HD1 PHE 22 HD2 PHE 22 -4.863 0.854 4.919
149 HD2 PHE 22 HD1 PHE 22 -3.064 -0.376 1.263
150 HE1 PHE 22 HE2 PHE 22 -2.837 2.128 5.491
151 HE2 PHE 22 HE1 PHE 22 -1.035 0.895 1.830
152 HZ PHE 22 HZ PHE 22 -0.920 2.150 3.946
153 H ASN 23 H ASN 23 -7.594 -1.394 4.441
154 HA ASN 23 HA ASN 23 -9.062 -3.672 3.361
155 HB2 ASN 23 1HB ASN 23 -9.674 -1.636 5.498
156 HB3 ASN 23 2HB ASN 23 -10.903 -2.737 4.884
157 HD21 ASN 23 1HD2 ASN 23 -8.005 -2.423 6.748
158 HD22 ASN 23 2HD2 ASN 23 -8.025 -4.010 7.431
159 H LEU 24 H LEU 24 -9.236 -0.129 3.423
160 HA LEU 24 HA LEU 24 -11.243 -0.235 1.279
161 HB2 LEU 24 1HB LEU 24 -10.449 2.062 3.063
162 HB3 LEU 24 2HB LEU 24 -11.715 2.101 1.837
163 HG LEU 24 HG LEU 24 -12.724 0.142 3.264
164 HD11 LEU 24 1HD1 LEU 24 -10.785 1.467 5.123
165 HD12 LEU 24 2HD1 LEU 24 -11.092 -0.251 4.873
166 HD13 LEU 24 3HD1 LEU 24 -12.276 0.742 5.724
167 HD21 LEU 24 3HD2 LEU 24 -14.256 1.727 3.506
168 HD22 LEU 24 1HD2 LEU 24 -13.049 2.973 3.184
169 HD23 LEU 24 2HD2 LEU 24 -13.321 2.414 4.835
170 H ARG 25 H ARG 25 -11.040 1.899 -0.137
171 HA ARG 25 HA ARG 25 -8.412 1.722 -1.373
172 HB2 ARG 25 1HB ARG 25 -10.368 1.532 -2.814
173 HB3 ARG 25 2HB ARG 25 -10.948 3.101 -2.269
174 HG2 ARG 25 1HG ARG 25 -9.038 4.190 -3.294
175 HG3 ARG 25 2HG ARG 25 -8.395 2.624 -3.794
176 HD2 ARG 25 1HD ARG 25 -10.609 2.307 -5.026
177 HD3 ARG 25 2HD ARG 25 -10.866 4.031 -4.763
178 HE ARG 25 HE ARG 25 -8.434 3.996 -5.889
179 HH11 ARG 25 1HH1 ARG 25 -11.426 2.450 -6.769
180 HH12 ARG 25 2HH1 ARG 25 -11.086 2.466 -8.468
181 HH21 ARG 25 1HH2 ARG 25 -7.975 4.024 -8.123
182 HH22 ARG 25 2HH2 ARG 25 -9.122 3.361 -9.237
183 H LYS 26 H LYS 26 -10.606 4.266 -0.196
184 HA LYS 26 HA LYS 26 -9.087 6.499 -0.627
185 HB2 LYS 26 1HB LYS 26 -10.250 7.537 1.234
186 HB3 LYS 26 2HB LYS 26 -11.362 6.517 0.331
187 HG2 LYS 26 1HG LYS 26 -11.385 4.873 2.006
188 HG3 LYS 26 2HG LYS 26 -9.962 5.548 2.802
189 HD2 LYS 26 1HD LYS 26 -11.387 7.641 3.170
190 HD3 LYS 26 2HD LYS 26 -12.766 6.627 2.739
191 HE2 LYS 26 1HE LYS 26 -12.613 5.373 4.643
192 HE3 LYS 26 2HE LYS 26 -10.871 5.604 4.786
193 HZ1 LYS 26 3HZ LYS 26 -12.172 6.766 6.513
194 HZ2 LYS 26 1HZ LYS 26 -12.884 7.722 5.312
195 HZ3 LYS 26 2HZ LYS 26 -11.218 7.814 5.590
196 H HIS 27 H HIS 27 -8.621 4.026 1.801
197 HA HIS 27 HA HIS 27 -6.814 5.407 3.462
198 HB2 HIS 27 1HB HIS 27 -7.426 2.519 2.962
199 HB3 HIS 27 2HB HIS 27 -6.015 2.946 3.926
200 HD1 HIS 27 HD1 HIS 27 -6.497 2.982 6.340
201 HD2 HIS 27 HD2 HIS 27 -9.842 3.999 4.096
202 HE1 HIS 27 HE1 HIS 27 -8.337 3.364 8.011
203 H LEU 28 H LEU 28 -6.283 3.274 0.675
204 HA LEU 28 HA LEU 28 -3.498 3.232 0.720
205 HB2 LEU 28 1HB LEU 28 -4.494 1.713 -0.724
206 HB3 LEU 28 2HB LEU 28 -5.536 2.936 -1.447
207 HG LEU 28 HG LEU 28 -3.481 3.901 -2.529
208 HD11 LEU 28 1HD1 LEU 28 -1.437 2.976 -2.327
209 HD12 LEU 28 2HD1 LEU 28 -2.071 1.335 -2.206
210 HD13 LEU 28 3HD1 LEU 28 -2.083 2.391 -0.793
211 HD21 LEU 28 3HD2 LEU 28 -4.219 1.056 -3.212
212 HD22 LEU 28 1HD2 LEU 28 -3.395 2.191 -4.282
213 HD23 LEU 28 2HD2 LEU 28 -5.050 2.511 -3.764
214 H ILE 29 H ILE 29 -5.634 5.376 -1.165
215 HA ILE 29 HA ILE 29 -3.700 6.958 -2.348
216 HB ILE 29 HB ILE 29 -6.410 7.858 -1.362
217 HG12 ILE 29 1HG1 ILE 29 -5.806 7.131 -4.199
218 HG13 ILE 29 2HG1 ILE 29 -6.089 5.839 -3.038
219 HG21 ILE 29 1HG2 ILE 29 -4.893 9.042 -3.659
220 HG22 ILE 29 2HG2 ILE 29 -6.237 9.724 -2.745
221 HG23 ILE 29 3HG2 ILE 29 -4.639 9.608 -2.008
222 HD11 ILE 29 3HD1 ILE 29 -8.211 7.319 -2.481
223 HD12 ILE 29 1HD1 ILE 29 -7.961 7.842 -4.146
224 HD13 ILE 29 2HD1 ILE 29 -8.204 6.133 -3.786
225 H GLN 30 H GLN 30 -5.307 7.442 0.787
226 HA GLN 30 HA GLN 30 -3.940 9.820 1.451
227 HB2 GLN 30 1HB GLN 30 -6.065 8.871 2.506
228 HB3 GLN 30 2HB GLN 30 -5.005 7.832 3.448
229 HG2 GLN 30 1HG GLN 30 -5.457 9.645 4.841
230 HG3 GLN 30 2HG GLN 30 -3.844 9.961 4.202
231 HE21 GLN 30 1HE2 GLN 30 -4.579 12.143 5.026
232 HE22 GLN 30 2HE2 GLN 30 -5.363 13.174 3.884
233 H HIS 31 H HIS 31 -3.166 6.431 1.858
234 HA HIS 31 HA HIS 31 -1.060 6.734 3.715
235 HB2 HIS 31 1HB HIS 31 -1.845 4.547 3.526
236 HB3 HIS 31 2HB HIS 31 -1.846 4.594 1.766
237 HD1 HIS 31 HD1 HIS 31 0.507 4.228 4.688
238 HD2 HIS 31 HD2 HIS 31 0.478 3.731 0.563
239 HE1 HIS 31 HE1 HIS 31 2.668 3.067 4.135
240 H GLN 32 H GLN 32 -1.086 6.545 0.168
241 HA GLN 32 HA GLN 32 1.547 6.503 -0.457
242 HB2 GLN 32 1HB GLN 32 -0.539 8.286 -1.725
243 HB3 GLN 32 2HB GLN 32 1.009 7.870 -2.448
244 HG2 GLN 32 1HG GLN 32 0.201 5.423 -2.134
245 HG3 GLN 32 2HG GLN 32 -1.396 6.161 -2.013
246 HE21 GLN 32 1HE2 GLN 32 -2.040 5.125 -3.921
247 HE22 GLN 32 2HE2 GLN 32 -1.515 5.676 -5.472
248 H LYS 33 H LYS 33 -0.274 9.337 0.624
249 HA LYS 33 HA LYS 33 1.499 11.369 0.260
250 HB2 LYS 33 1HB LYS 33 -0.369 10.781 2.541
251 HB3 LYS 33 2HB LYS 33 0.621 12.235 2.537
252 HG2 LYS 33 1HG LYS 33 -1.504 12.827 1.676
253 HG3 LYS 33 2HG LYS 33 -0.382 12.804 0.314
254 HD2 LYS 33 1HD LYS 33 -1.242 10.771 -0.497
255 HD3 LYS 33 2HD LYS 33 -2.069 10.420 1.022
256 HE2 LYS 33 1HE LYS 33 -3.817 11.119 -0.306
257 HE3 LYS 33 2HE LYS 33 -3.365 12.620 0.501
258 HZ1 LYS 33 3HZ LYS 33 -2.854 13.543 -1.436
259 HZ2 LYS 33 1HZ LYS 33 -3.543 12.203 -2.205
260 HZ3 LYS 33 2HZ LYS 33 -1.880 12.239 -1.897
261 H THR 34 H THR 34 1.586 8.934 2.821
262 HA THR 34 HA THR 34 3.608 9.957 4.407
263 HB THR 34 HB THR 34 4.073 7.662 5.117
264 HG1 THR 34 HG1 THR 34 2.562 6.075 3.920
265 HG21 THR 34 3HG2 THR 34 2.065 7.336 6.168
266 HG22 THR 34 1HG2 THR 34 1.126 7.628 4.705
267 HG23 THR 34 2HG2 THR 34 1.825 8.984 5.590
268 H HIS 35 H HIS 35 3.830 8.214 1.360
269 HA HIS 35 HA HIS 35 6.717 8.057 1.480
270 HB2 HIS 35 1HB HIS 35 4.776 7.378 -0.739
271 HB3 HIS 35 2HB HIS 35 6.509 7.068 -0.788
272 HD1 HIS 35 HD1 HIS 35 7.143 5.710 1.741
273 HD2 HIS 35 HD2 HIS 35 3.553 5.033 -0.236
274 HE1 HIS 35 HE1 HIS 35 6.332 3.477 2.567
275 H ALA 36 H ALA 36 5.169 10.671 1.403
276 HA ALA 36 HA ALA 36 6.400 11.824 -1.010
277 HB1 ALA 36 3HB ALA 36 3.827 12.017 -0.321
278 HB2 ALA 36 1HB ALA 36 4.456 13.412 0.556
279 HB3 ALA 36 2HB ALA 36 4.682 13.292 -1.190
280 H ALA 37 H ALA 37 8.223 12.902 -0.701
281 HA ALA 37 HA ALA 37 9.073 13.688 1.935
282 HB1 ALA 37 3HB ALA 37 10.301 13.616 -0.767
283 HB2 ALA 37 1HB ALA 37 10.999 14.706 0.431
284 HB3 ALA 37 2HB ALA 37 10.896 12.977 0.765
285 H LYS 38 H LYS 38 6.753 15.039 1.326
286 HA LYS 38 HA LYS 38 7.617 17.763 1.618
287 HB2 LYS 38 1HB LYS 38 6.277 18.640 -0.271
288 HB3 LYS 38 2HB LYS 38 7.634 17.655 -0.800
289 HG2 LYS 38 1HG LYS 38 6.066 15.745 -1.067
290 HG3 LYS 38 2HG LYS 38 4.737 16.847 -0.697
291 HD2 LYS 38 1HD LYS 38 5.223 18.178 -2.633
292 HD3 LYS 38 2HD LYS 38 6.700 17.264 -2.949
293 HE2 LYS 38 1HE LYS 38 5.489 15.335 -3.568
294 HE3 LYS 38 2HE LYS 38 3.986 15.972 -2.903
295 HZ1 LYS 38 3HZ LYS 38 5.392 17.242 -5.180
296 HZ2 LYS 38 1HZ LYS 38 3.811 17.521 -4.649
297 HZ3 LYS 38 2HZ LYS 38 4.207 16.052 -5.387
298 H SER 39 H SER 39 6.425 18.434 3.266
299 HA SER 39 HA SER 39 3.563 18.344 3.178
300 HB2 SER 39 1HB SER 39 3.111 16.908 4.989
301 HB3 SER 39 2HB SER 39 4.324 16.039 4.050
302 HG SER 39 HG SER 39 4.569 17.333 6.524
303 H GLY 40 H GLY 40 2.610 19.326 5.206
304 HA2 GLY 40 1HA GLY 40 4.283 21.596 5.960
305 HA3 GLY 40 2HA GLY 40 2.549 21.455 6.206
306 HA PRO 41 HA PRO 41 4.639 20.849 10.296
307 HB2 PRO 41 1HB PRO 41 2.953 22.480 11.662
308 HB3 PRO 41 2HB PRO 41 4.395 23.070 10.828
309 HG2 PRO 41 1HG PRO 41 1.540 23.107 9.930
310 HG3 PRO 41 2HG PRO 41 2.769 24.378 9.801
311 HD2 PRO 41 1HD PRO 41 2.103 22.779 7.719
312 HD3 PRO 41 2HD PRO 41 3.743 23.423 7.943
313 H SER 42 H SER 42 1.845 19.951 8.804
314 HA SER 42 HA SER 42 0.054 19.244 10.791
315 HB2 SER 42 1HB SER 42 -0.804 17.568 9.234
316 HB3 SER 42 2HB SER 42 -0.403 19.049 8.365
317 HG SER 42 HG SER 42 1.433 16.915 8.594
318 H SER 43 H SER 43 0.895 18.423 12.653
319 HA SER 43 HA SER 43 1.739 15.650 12.575
320 HB2 SER 43 1HB SER 43 3.750 16.059 13.963
321 HB3 SER 43 2HB SER 43 3.879 16.807 12.372
322 HG SER 43 HG SER 43 4.475 18.391 13.727
323 H GLY 44 H GLY 44 1.886 14.713 14.788
324 HA2 GLY 44 1HA GLY 44 1.410 15.034 17.168
325 HA3 GLY 44 2HA GLY 44 0.176 16.190 16.690
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 -1.046 -31.991 -10.893
2 HA2 GLY 1 1HA GLY 1 -3.463 -33.137 -11.898
3 HA3 GLY 1 2HA GLY 1 -3.336 -31.732 -10.849
4 H SER 2 H SER 2 -5.228 -31.232 -12.382
5 HA SER 2 HA SER 2 -4.220 -29.964 -14.839
6 HB2 SER 2 1HB SER 2 -7.077 -30.678 -14.137
7 HB3 SER 2 2HB SER 2 -6.499 -30.064 -15.686
8 HG SER 2 HG SER 2 -5.795 -31.990 -16.190
9 H SER 3 H SER 3 -3.752 -28.664 -12.433
10 HA SER 3 HA SER 3 -5.647 -26.410 -12.571
11 HB2 SER 3 1HB SER 3 -5.599 -27.762 -10.400
12 HB3 SER 3 2HB SER 3 -3.986 -27.097 -10.146
13 HG SER 3 HG SER 3 -4.889 -25.026 -10.170
14 H GLY 4 H GLY 4 -4.752 -24.288 -12.209
15 HA2 GLY 4 1HA GLY 4 -1.878 -23.962 -12.258
16 HA3 GLY 4 2HA GLY 4 -2.677 -23.541 -13.766
17 H SER 5 H SER 5 -3.577 -21.575 -13.971
18 HA SER 5 HA SER 5 -2.950 -19.498 -12.263
19 HB2 SER 5 1HB SER 5 -3.849 -19.449 -14.697
20 HB3 SER 5 2HB SER 5 -5.444 -19.414 -13.944
21 HG SER 5 HG SER 5 -3.374 -17.587 -13.303
22 H SER 6 H SER 6 -3.631 -18.951 -10.310
23 HA SER 6 HA SER 6 -5.599 -20.322 -8.886
24 HB2 SER 6 1HB SER 6 -4.538 -17.533 -8.372
25 HB3 SER 6 2HB SER 6 -5.384 -18.545 -7.201
26 HG SER 6 HG SER 6 -3.150 -19.642 -8.447
27 H GLY 7 H GLY 7 -5.761 -17.005 -10.201
28 HA2 GLY 7 1HA GLY 7 -7.835 -16.546 -11.529
29 HA3 GLY 7 2HA GLY 7 -8.704 -17.276 -10.187
30 H HIS 8 H HIS 8 -9.928 -15.459 -9.735
31 HA HIS 8 HA HIS 8 -8.752 -12.884 -9.338
32 HB2 HIS 8 1HB HIS 8 -11.127 -13.265 -10.041
33 HB3 HIS 8 2HB HIS 8 -11.464 -13.852 -8.415
34 HD1 HIS 8 HD1 HIS 8 -10.405 -10.696 -10.210
35 HD2 HIS 8 HD2 HIS 8 -12.002 -11.903 -6.569
36 HE1 HIS 8 HE1 HIS 8 -11.039 -8.575 -9.018
37 H THR 9 H THR 9 -7.386 -12.557 -7.705
38 HA THR 9 HA THR 9 -8.223 -13.405 -5.015
39 HB THR 9 HB THR 9 -5.345 -13.435 -5.925
40 HG1 THR 9 HG1 THR 9 -5.776 -15.823 -5.745
41 HG21 THR 9 3HG2 THR 9 -4.966 -13.607 -3.734
42 HG22 THR 9 1HG2 THR 9 -5.772 -15.174 -3.779
43 HG23 THR 9 2HG2 THR 9 -6.691 -13.721 -3.387
44 H ARG 10 H ARG 10 -8.643 -10.871 -6.213
45 HA ARG 10 HA ARG 10 -6.782 -9.191 -4.662
46 HB2 ARG 10 1HB ARG 10 -6.835 -8.952 -7.222
47 HB3 ARG 10 2HB ARG 10 -8.414 -8.213 -6.994
48 HG2 ARG 10 1HG ARG 10 -7.430 -6.473 -5.620
49 HG3 ARG 10 2HG ARG 10 -5.844 -7.232 -5.771
50 HD2 ARG 10 1HD ARG 10 -5.665 -5.676 -7.426
51 HD3 ARG 10 2HD ARG 10 -6.382 -6.995 -8.350
52 HE ARG 10 HE ARG 10 -8.346 -5.261 -7.203
53 HH11 ARG 10 1HH1 ARG 10 -6.150 -5.666 -9.874
54 HH12 ARG 10 2HH1 ARG 10 -7.069 -4.667 -10.950
55 HH21 ARG 10 1HH2 ARG 10 -9.565 -3.944 -8.611
56 HH22 ARG 10 2HH2 ARG 10 -9.011 -3.687 -10.231
57 H LYS 11 H LYS 11 -8.165 -9.564 -2.811
58 HA LYS 11 HA LYS 11 -10.789 -8.263 -2.933
59 HB2 LYS 11 1HB LYS 11 -10.418 -10.600 -1.928
60 HB3 LYS 11 2HB LYS 11 -9.671 -9.762 -0.574
61 HG2 LYS 11 1HG LYS 11 -11.822 -8.437 -0.389
62 HG3 LYS 11 2HG LYS 11 -12.518 -9.608 -1.512
63 HD2 LYS 11 1HD LYS 11 -11.089 -10.573 0.927
64 HD3 LYS 11 2HD LYS 11 -12.739 -9.963 1.070
65 HE2 LYS 11 1HE LYS 11 -13.155 -12.182 0.689
66 HE3 LYS 11 2HE LYS 11 -13.160 -11.574 -0.965
67 HZ1 LYS 11 3HZ LYS 11 -11.806 -13.663 -0.442
68 HZ2 LYS 11 1HZ LYS 11 -10.681 -12.609 0.255
69 HZ3 LYS 11 2HZ LYS 11 -11.076 -12.462 -1.383
70 H ARG 12 H ARG 12 -7.681 -7.427 -2.302
71 HA ARG 12 HA ARG 12 -8.512 -5.094 -0.786
72 HB2 ARG 12 1HB ARG 12 -6.648 -7.190 0.271
73 HB3 ARG 12 2HB ARG 12 -6.415 -5.506 0.722
74 HG2 ARG 12 1HG ARG 12 -8.666 -5.424 1.641
75 HG3 ARG 12 2HG ARG 12 -8.933 -7.099 1.157
76 HD2 ARG 12 1HD ARG 12 -8.378 -7.031 3.499
77 HD3 ARG 12 2HD ARG 12 -7.051 -7.777 2.610
78 HE ARG 12 HE ARG 12 -6.415 -5.108 2.787
79 HH11 ARG 12 1HH1 ARG 12 -7.074 -7.695 5.021
80 HH12 ARG 12 2HH1 ARG 12 -6.050 -7.058 6.264
81 HH21 ARG 12 1HH2 ARG 12 -5.063 -4.258 4.417
82 HH22 ARG 12 2HH2 ARG 12 -4.907 -5.102 5.920
83 H TYR 13 H TYR 13 -6.958 -3.378 -0.830
84 HA TYR 13 HA TYR 13 -5.334 -3.445 -3.235
85 HB2 TYR 13 1HB TYR 13 -5.654 -1.106 -1.361
86 HB3 TYR 13 2HB TYR 13 -5.231 -1.082 -3.069
87 HD1 TYR 13 HD2 TYR 13 -7.982 -1.582 -0.666
88 HD2 TYR 13 HD1 TYR 13 -6.919 -1.132 -4.761
89 HE1 TYR 13 HE2 TYR 13 -10.352 -1.265 -1.240
90 HE2 TYR 13 HE1 TYR 13 -9.286 -0.812 -5.347
91 HH TYR 13 HH TYR 13 -11.468 -1.250 -4.502
92 H GLU 14 H GLU 14 -3.139 -3.280 -3.331
93 HA GLU 14 HA GLU 14 -1.696 -3.337 -0.761
94 HB2 GLU 14 1HB GLU 14 -1.829 -5.465 -2.335
95 HB3 GLU 14 2HB GLU 14 -0.539 -4.630 -3.189
96 HG2 GLU 14 1HG GLU 14 0.734 -4.520 -1.071
97 HG3 GLU 14 2HG GLU 14 -0.533 -5.474 -0.301
98 H CYS 15 H CYS 15 0.293 -2.275 -0.647
99 HA CYS 15 HA CYS 15 0.539 -0.021 -2.428
100 HB2 CYS 15 1HB CYS 15 0.948 -0.129 0.154
101 HB3 CYS 15 2HB CYS 15 2.551 -0.691 -0.308
102 H SER 16 H SER 16 2.764 0.597 -3.231
103 HA SER 16 HA SER 16 4.042 -1.777 -4.417
104 HB2 SER 16 1HB SER 16 2.884 -0.087 -5.944
105 HB3 SER 16 2HB SER 16 4.184 1.028 -5.523
106 HG SER 16 HG SER 16 4.298 -0.591 -7.453
107 H LYS 17 H LYS 17 4.486 0.746 -2.239
108 HA LYS 17 HA LYS 17 7.404 0.727 -2.545
109 HB2 LYS 17 1HB LYS 17 5.447 2.618 -1.326
110 HB3 LYS 17 2HB LYS 17 7.069 2.558 -0.650
111 HG2 LYS 17 1HG LYS 17 7.263 4.232 -2.212
112 HG3 LYS 17 2HG LYS 17 7.829 2.827 -3.118
113 HD2 LYS 17 1HD LYS 17 5.346 2.613 -3.844
114 HD3 LYS 17 2HD LYS 17 5.228 4.297 -3.330
115 HE2 LYS 17 1HE LYS 17 6.907 4.963 -4.894
116 HE3 LYS 17 2HE LYS 17 7.290 3.286 -5.281
117 HZ1 LYS 17 3HZ LYS 17 5.178 4.967 -6.287
118 HZ2 LYS 17 1HZ LYS 17 4.657 3.423 -5.830
119 HZ3 LYS 17 2HZ LYS 17 5.890 3.595 -6.975
120 H CYS 18 H CYS 18 5.146 0.853 0.216
121 HA CYS 18 HA CYS 18 7.033 -0.666 1.822
122 HB2 CYS 18 1HB CYS 18 5.603 -0.141 3.695
123 HB3 CYS 18 2HB CYS 18 5.846 1.322 2.747
124 H GLN 19 H GLN 19 4.938 -1.567 -0.421
125 HA GLN 19 HA GLN 19 3.503 -3.331 -0.773
126 HB2 GLN 19 1HB GLN 19 4.561 -5.486 -0.285
127 HB3 GLN 19 2HB GLN 19 5.722 -4.343 -0.947
128 HG2 GLN 19 1HG GLN 19 6.807 -4.071 1.087
129 HG3 GLN 19 2HG GLN 19 5.439 -4.695 2.008
130 HE21 GLN 19 1HE2 GLN 19 8.333 -5.452 1.844
131 HE22 GLN 19 2HE2 GLN 19 8.322 -7.154 1.549
132 H ALA 20 H ALA 20 2.345 -1.949 1.170
133 HA ALA 20 HA ALA 20 1.766 -3.809 3.364
134 HB1 ALA 20 3HB ALA 20 0.889 -1.965 4.574
135 HB2 ALA 20 1HB ALA 20 2.405 -1.427 3.851
136 HB3 ALA 20 2HB ALA 20 0.867 -0.946 3.135
137 H THR 21 H THR 21 -0.552 -3.873 4.089
138 HA THR 21 HA THR 21 -2.312 -4.036 1.732
139 HB THR 21 HB THR 21 -3.623 -5.705 3.068
140 HG1 THR 21 HG1 THR 21 -3.100 -5.793 5.114
141 HG21 THR 21 3HG2 THR 21 -1.873 -6.309 1.361
142 HG22 THR 21 1HG2 THR 21 -2.183 -7.543 2.581
143 HG23 THR 21 2HG2 THR 21 -0.746 -6.528 2.699
144 H PHE 22 H PHE 22 -4.373 -3.203 1.823
145 HA PHE 22 HA PHE 22 -5.138 -1.781 4.279
146 HB2 PHE 22 1HB PHE 22 -5.278 -0.682 1.463
147 HB3 PHE 22 2HB PHE 22 -5.971 0.097 2.883
148 HD1 PHE 22 HD2 PHE 22 -4.530 1.082 4.588
149 HD2 PHE 22 HD1 PHE 22 -2.922 -0.643 1.044
150 HE1 PHE 22 HE2 PHE 22 -2.387 2.215 5.012
151 HE2 PHE 22 HE1 PHE 22 -0.777 0.486 1.463
152 HZ PHE 22 HZ PHE 22 -0.508 1.918 3.449
153 H ASN 23 H ASN 23 -7.431 -1.333 4.457
154 HA ASN 23 HA ASN 23 -9.016 -3.442 3.189
155 HB2 ASN 23 1HB ASN 23 -9.056 -3.333 5.642
156 HB3 ASN 23 2HB ASN 23 -9.652 -1.678 5.565
157 HD21 ASN 23 1HD2 ASN 23 -10.414 -5.028 4.906
158 HD22 ASN 23 2HD2 ASN 23 -12.131 -4.833 4.889
159 H LEU 24 H LEU 24 -8.929 0.051 3.653
160 HA LEU 24 HA LEU 24 -11.159 0.318 1.750
161 HB2 LEU 24 1HB LEU 24 -10.216 1.990 4.034
162 HB3 LEU 24 2HB LEU 24 -11.065 2.759 2.695
163 HG LEU 24 HG LEU 24 -12.278 0.419 4.119
164 HD11 LEU 24 1HD1 LEU 24 -12.919 3.200 4.970
165 HD12 LEU 24 2HD1 LEU 24 -11.507 2.396 5.657
166 HD13 LEU 24 3HD1 LEU 24 -13.108 1.679 5.843
167 HD21 LEU 24 3HD2 LEU 24 -14.214 1.044 3.099
168 HD22 LEU 24 1HD2 LEU 24 -13.066 1.651 1.907
169 HD23 LEU 24 2HD2 LEU 24 -13.785 2.755 3.080
170 H ARG 25 H ARG 25 -10.619 0.889 -0.241
171 HA ARG 25 HA ARG 25 -8.168 1.380 -1.265
172 HB2 ARG 25 1HB ARG 25 -10.434 1.183 -2.469
173 HB3 ARG 25 2HB ARG 25 -10.539 2.928 -2.279
174 HG2 ARG 25 1HG ARG 25 -8.198 2.935 -3.395
175 HG3 ARG 25 2HG ARG 25 -8.653 1.318 -3.937
176 HD2 ARG 25 1HD ARG 25 -10.397 3.733 -4.356
177 HD3 ARG 25 2HD ARG 25 -9.172 3.228 -5.519
178 HE ARG 25 HE ARG 25 -11.705 1.937 -4.976
179 HH11 ARG 25 1HH1 ARG 25 -8.541 1.669 -6.404
180 HH12 ARG 25 2HH1 ARG 25 -8.991 0.384 -7.475
181 HH21 ARG 25 1HH2 ARG 25 -12.309 0.245 -6.381
182 HH22 ARG 25 2HH2 ARG 25 -11.134 -0.424 -7.462
183 H LYS 26 H LYS 26 -10.333 3.802 0.135
184 HA LYS 26 HA LYS 26 -8.948 6.114 -0.476
185 HB2 LYS 26 1HB LYS 26 -11.030 6.430 0.534
186 HB3 LYS 26 2HB LYS 26 -10.669 5.323 1.851
187 HG2 LYS 26 1HG LYS 26 -8.973 6.998 2.651
188 HG3 LYS 26 2HG LYS 26 -9.635 8.118 1.457
189 HD2 LYS 26 1HD LYS 26 -10.899 8.708 3.263
190 HD3 LYS 26 2HD LYS 26 -11.915 7.420 2.613
191 HE2 LYS 26 1HE LYS 26 -10.767 5.835 4.159
192 HE3 LYS 26 2HE LYS 26 -9.931 7.213 4.874
193 HZ1 LYS 26 3HZ LYS 26 -12.000 8.121 5.593
194 HZ2 LYS 26 1HZ LYS 26 -11.947 6.507 6.097
195 HZ3 LYS 26 2HZ LYS 26 -12.884 6.944 4.759
196 H HIS 27 H HIS 27 -8.436 3.876 2.222
197 HA HIS 27 HA HIS 27 -6.515 5.294 3.634
198 HB2 HIS 27 1HB HIS 27 -6.997 2.348 3.268
199 HB3 HIS 27 2HB HIS 27 -5.663 2.932 4.258
200 HD1 HIS 27 HD1 HIS 27 -6.279 2.904 6.640
201 HD2 HIS 27 HD2 HIS 27 -9.527 3.857 4.231
202 HE1 HIS 27 HE1 HIS 27 -8.201 3.274 8.219
203 H LEU 28 H LEU 28 -6.206 3.395 0.706
204 HA LEU 28 HA LEU 28 -3.362 3.305 0.683
205 HB2 LEU 28 1HB LEU 28 -4.550 1.685 -0.585
206 HB3 LEU 28 2HB LEU 28 -5.443 2.928 -1.456
207 HG LEU 28 HG LEU 28 -3.369 3.594 -2.599
208 HD11 LEU 28 1HD1 LEU 28 -1.329 2.518 -2.314
209 HD12 LEU 28 2HD1 LEU 28 -2.057 1.143 -1.484
210 HD13 LEU 28 3HD1 LEU 28 -1.928 2.699 -0.664
211 HD21 LEU 28 3HD2 LEU 28 -4.381 0.786 -2.780
212 HD22 LEU 28 1HD2 LEU 28 -3.054 1.322 -3.811
213 HD23 LEU 28 2HD2 LEU 28 -4.617 2.137 -3.890
214 H ILE 29 H ILE 29 -5.657 5.197 -1.292
215 HA ILE 29 HA ILE 29 -3.874 6.807 -2.621
216 HB ILE 29 HB ILE 29 -6.590 7.587 -1.556
217 HG12 ILE 29 1HG1 ILE 29 -7.073 7.196 -4.108
218 HG13 ILE 29 2HG1 ILE 29 -5.619 6.207 -4.033
219 HG21 ILE 29 1HG2 ILE 29 -5.463 9.602 -2.076
220 HG22 ILE 29 2HG2 ILE 29 -4.781 8.923 -3.553
221 HG23 ILE 29 3HG2 ILE 29 -6.510 9.252 -3.451
222 HD11 ILE 29 3HD1 ILE 29 -8.053 5.232 -3.617
223 HD12 ILE 29 1HD1 ILE 29 -6.620 4.591 -2.814
224 HD13 ILE 29 2HD1 ILE 29 -7.673 5.724 -1.967
225 H GLN 30 H GLN 30 -5.404 7.494 0.522
226 HA GLN 30 HA GLN 30 -3.983 9.910 0.954
227 HB2 GLN 30 1HB GLN 30 -5.704 8.121 2.597
228 HB3 GLN 30 2HB GLN 30 -4.672 9.265 3.445
229 HG2 GLN 30 1HG GLN 30 -5.704 11.116 2.357
230 HG3 GLN 30 2HG GLN 30 -6.597 10.050 1.273
231 HE21 GLN 30 1HE2 GLN 30 -7.453 12.103 3.258
232 HE22 GLN 30 2HE2 GLN 30 -8.590 11.291 4.274
233 H HIS 31 H HIS 31 -3.334 6.552 1.689
234 HA HIS 31 HA HIS 31 -1.288 6.894 3.576
235 HB2 HIS 31 1HB HIS 31 -2.012 4.702 3.446
236 HB3 HIS 31 2HB HIS 31 -2.066 4.713 1.686
237 HD1 HIS 31 HD1 HIS 31 0.647 4.941 4.356
238 HD2 HIS 31 HD2 HIS 31 -0.060 3.261 0.622
239 HE1 HIS 31 HE1 HIS 31 2.715 3.617 3.811
240 H GLN 32 H GLN 32 -1.274 7.020 0.071
241 HA GLN 32 HA GLN 32 1.441 6.822 -0.448
242 HB2 GLN 32 1HB GLN 32 -0.624 8.544 -1.828
243 HB3 GLN 32 2HB GLN 32 0.973 8.190 -2.472
244 HG2 GLN 32 1HG GLN 32 -0.900 5.976 -1.750
245 HG3 GLN 32 2HG GLN 32 -1.049 6.820 -3.290
246 HE21 GLN 32 1HE2 GLN 32 -0.443 4.073 -2.953
247 HE22 GLN 32 2HE2 GLN 32 1.135 3.800 -3.600
248 H LYS 33 H LYS 33 -0.197 9.208 1.309
249 HA LYS 33 HA LYS 33 1.347 11.491 0.762
250 HB2 LYS 33 1HB LYS 33 -0.337 10.603 3.074
251 HB3 LYS 33 2HB LYS 33 0.655 12.046 3.232
252 HG2 LYS 33 1HG LYS 33 -0.513 13.167 1.532
253 HG3 LYS 33 2HG LYS 33 -1.270 11.678 0.960
254 HD2 LYS 33 1HD LYS 33 -2.241 11.629 3.409
255 HD3 LYS 33 2HD LYS 33 -1.930 13.365 3.327
256 HE2 LYS 33 1HE LYS 33 -3.430 11.934 1.157
257 HE3 LYS 33 2HE LYS 33 -4.244 12.508 2.611
258 HZ1 LYS 33 3HZ LYS 33 -2.585 14.523 1.467
259 HZ2 LYS 33 1HZ LYS 33 -4.233 14.576 1.845
260 HZ3 LYS 33 2HZ LYS 33 -3.727 13.965 0.351
261 H THR 34 H THR 34 1.769 8.883 3.117
262 HA THR 34 HA THR 34 4.021 9.987 4.419
263 HB THR 34 HB THR 34 2.611 8.133 5.337
264 HG1 THR 34 HG1 THR 34 5.404 8.136 5.244
265 HG21 THR 34 3HG2 THR 34 2.242 6.443 3.894
266 HG22 THR 34 1HG2 THR 34 3.795 5.839 4.468
267 HG23 THR 34 2HG2 THR 34 3.710 6.776 2.976
268 H HIS 35 H HIS 35 3.662 8.686 1.326
269 HA HIS 35 HA HIS 35 6.491 7.936 1.136
270 HB2 HIS 35 1HB HIS 35 4.143 7.436 -0.696
271 HB3 HIS 35 2HB HIS 35 5.805 7.057 -1.135
272 HD1 HIS 35 HD1 HIS 35 6.704 5.853 1.593
273 HD2 HIS 35 HD2 HIS 35 3.181 4.894 -0.389
274 HE1 HIS 35 HE1 HIS 35 6.054 3.576 2.441
275 H ALA 36 H ALA 36 5.223 10.715 1.195
276 HA ALA 36 HA ALA 36 5.471 11.924 -1.321
277 HB1 ALA 36 3HB ALA 36 4.409 13.325 0.119
278 HB2 ALA 36 1HB ALA 36 5.431 12.877 1.485
279 HB3 ALA 36 2HB ALA 36 6.038 13.987 0.255
280 H ALA 37 H ALA 37 7.142 13.417 -2.051
281 HA ALA 37 HA ALA 37 9.788 12.284 -1.628
282 HB1 ALA 37 3HB ALA 37 10.457 13.528 -3.575
283 HB2 ALA 37 1HB ALA 37 8.933 12.706 -3.915
284 HB3 ALA 37 2HB ALA 37 8.944 14.435 -3.564
285 H LYS 38 H LYS 38 8.161 15.425 -1.361
286 HA LYS 38 HA LYS 38 10.349 16.962 -0.579
287 HB2 LYS 38 1HB LYS 38 8.285 18.030 -1.177
288 HB3 LYS 38 2HB LYS 38 7.421 17.207 0.114
289 HG2 LYS 38 1HG LYS 38 7.738 19.407 0.862
290 HG3 LYS 38 2HG LYS 38 8.933 18.438 1.728
291 HD2 LYS 38 1HD LYS 38 10.699 19.333 0.567
292 HD3 LYS 38 2HD LYS 38 9.720 19.694 -0.856
293 HE2 LYS 38 1HE LYS 38 10.209 21.785 0.090
294 HE3 LYS 38 2HE LYS 38 8.554 21.437 0.589
295 HZ1 LYS 38 3HZ LYS 38 10.763 20.653 2.356
296 HZ2 LYS 38 1HZ LYS 38 9.177 21.096 2.748
297 HZ3 LYS 38 2HZ LYS 38 10.301 22.280 2.304
298 H SER 39 H SER 39 11.657 16.724 1.098
299 HA SER 39 HA SER 39 10.524 15.779 3.647
300 HB2 SER 39 1HB SER 39 12.619 14.568 4.084
301 HB3 SER 39 2HB SER 39 11.844 13.981 2.612
302 HG SER 39 HG SER 39 14.278 14.678 2.765
303 H GLY 40 H GLY 40 11.579 16.543 5.559
304 HA2 GLY 40 1HA GLY 40 13.581 18.625 5.308
305 HA3 GLY 40 2HA GLY 40 11.996 19.187 5.818
306 HA PRO 41 HA PRO 41 12.918 18.226 9.989
307 HB2 PRO 41 1HB PRO 41 10.527 17.348 10.929
308 HB3 PRO 41 2HB PRO 41 10.842 19.043 10.538
309 HG2 PRO 41 1HG PRO 41 9.445 16.953 8.913
310 HG3 PRO 41 2HG PRO 41 8.999 18.649 9.176
311 HD2 PRO 41 1HD PRO 41 10.235 17.799 6.921
312 HD3 PRO 41 2HD PRO 41 10.498 19.417 7.603
313 H SER 42 H SER 42 12.143 15.806 7.790
314 HA SER 42 HA SER 42 11.664 13.487 9.045
315 HB2 SER 42 1HB SER 42 12.159 13.601 6.653
316 HB3 SER 42 2HB SER 42 13.859 13.916 7.003
317 HG SER 42 HG SER 42 13.880 11.791 6.749
318 H SER 43 H SER 43 14.992 14.732 8.701
319 HA SER 43 HA SER 43 16.205 12.873 10.390
320 HB2 SER 43 1HB SER 43 16.952 15.627 9.463
321 HB3 SER 43 2HB SER 43 17.941 14.812 10.674
322 HG SER 43 HG SER 43 18.048 13.031 9.144
323 H GLY 44 H GLY 44 16.615 12.782 12.555
324 HA2 GLY 44 1HA GLY 44 16.774 13.746 14.739
325 HA3 GLY 44 2HA GLY 44 15.640 14.990 14.235
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 -11.483 -35.081 -4.208
2 HA2 GLY 1 1HA GLY 1 -13.219 -33.436 -2.498
3 HA3 GLY 1 2HA GLY 1 -11.463 -33.479 -2.433
4 H SER 2 H SER 2 -14.196 -32.452 -4.437
5 HA SER 2 HA SER 2 -12.464 -30.604 -5.888
6 HB2 SER 2 1HB SER 2 -15.411 -31.190 -6.264
7 HB3 SER 2 2HB SER 2 -14.398 -30.225 -7.338
8 HG SER 2 HG SER 2 -14.554 -32.975 -7.033
9 H SER 3 H SER 3 -12.003 -29.023 -4.379
10 HA SER 3 HA SER 3 -14.298 -27.368 -3.557
11 HB2 SER 3 1HB SER 3 -13.261 -26.898 -1.456
12 HB3 SER 3 2HB SER 3 -13.194 -28.647 -1.666
13 HG SER 3 HG SER 3 -11.195 -27.174 -1.092
14 H GLY 4 H GLY 4 -14.028 -25.134 -3.621
15 HA2 GLY 4 1HA GLY 4 -11.513 -24.172 -4.827
16 HA3 GLY 4 2HA GLY 4 -13.067 -23.713 -5.507
17 H SER 5 H SER 5 -13.183 -21.581 -5.121
18 HA SER 5 HA SER 5 -13.061 -19.577 -4.011
19 HB2 SER 5 1HB SER 5 -14.490 -19.501 -2.018
20 HB3 SER 5 2HB SER 5 -15.229 -20.493 -3.275
21 HG SER 5 HG SER 5 -14.674 -22.316 -2.159
22 H SER 6 H SER 6 -10.643 -20.912 -3.803
23 HA SER 6 HA SER 6 -9.810 -20.265 -1.050
24 HB2 SER 6 1HB SER 6 -8.018 -21.931 -1.298
25 HB3 SER 6 2HB SER 6 -9.604 -22.670 -1.518
26 HG SER 6 HG SER 6 -9.223 -22.378 -3.825
27 H GLY 7 H GLY 7 -7.470 -19.629 -0.894
28 HA2 GLY 7 1HA GLY 7 -5.709 -18.280 -1.497
29 HA3 GLY 7 2HA GLY 7 -6.086 -18.654 -3.172
30 H HIS 8 H HIS 8 -6.751 -16.492 -0.492
31 HA HIS 8 HA HIS 8 -8.391 -14.741 -2.111
32 HB2 HIS 8 1HB HIS 8 -7.278 -14.248 0.656
33 HB3 HIS 8 2HB HIS 8 -8.603 -13.386 -0.121
34 HD1 HIS 8 HD1 HIS 8 -10.863 -14.186 0.481
35 HD2 HIS 8 HD2 HIS 8 -7.980 -17.119 1.062
36 HE1 HIS 8 HE1 HIS 8 -12.080 -16.128 1.515
37 H THR 9 H THR 9 -5.880 -15.109 -3.244
38 HA THR 9 HA THR 9 -4.151 -12.914 -2.557
39 HB THR 9 HB THR 9 -2.836 -13.595 -4.531
40 HG1 THR 9 HG1 THR 9 -5.150 -15.087 -5.017
41 HG21 THR 9 3HG2 THR 9 -2.996 -14.875 -2.179
42 HG22 THR 9 1HG2 THR 9 -1.901 -15.372 -3.469
43 HG23 THR 9 2HG2 THR 9 -3.446 -16.196 -3.257
44 H ARG 10 H ARG 10 -3.893 -10.988 -3.604
45 HA ARG 10 HA ARG 10 -4.424 -9.171 -4.864
46 HB2 ARG 10 1HB ARG 10 -3.956 -10.997 -6.672
47 HB3 ARG 10 2HB ARG 10 -5.697 -10.948 -6.915
48 HG2 ARG 10 1HG ARG 10 -5.655 -8.852 -7.815
49 HG3 ARG 10 2HG ARG 10 -4.209 -8.378 -6.921
50 HD2 ARG 10 1HD ARG 10 -3.655 -8.584 -9.252
51 HD3 ARG 10 2HD ARG 10 -2.879 -9.893 -8.360
52 HE ARG 10 HE ARG 10 -4.113 -11.385 -9.570
53 HH11 ARG 10 1HH1 ARG 10 -5.595 -8.244 -9.814
54 HH12 ARG 10 2HH1 ARG 10 -6.765 -8.744 -10.990
55 HH21 ARG 10 1HH2 ARG 10 -5.649 -12.055 -11.117
56 HH22 ARG 10 2HH2 ARG 10 -6.796 -10.912 -11.730
57 H LYS 11 H LYS 11 -6.251 -9.954 -2.881
58 HA LYS 11 HA LYS 11 -8.842 -9.264 -4.099
59 HB2 LYS 11 1HB LYS 11 -8.512 -11.475 -2.779
60 HB3 LYS 11 2HB LYS 11 -8.541 -10.445 -1.354
61 HG2 LYS 11 1HG LYS 11 -10.735 -11.252 -1.639
62 HG3 LYS 11 2HG LYS 11 -10.757 -9.570 -2.172
63 HD2 LYS 11 1HD LYS 11 -11.944 -10.651 -3.847
64 HD3 LYS 11 2HD LYS 11 -10.316 -10.565 -4.523
65 HE2 LYS 11 1HE LYS 11 -10.006 -12.894 -3.437
66 HE3 LYS 11 2HE LYS 11 -11.768 -12.920 -3.373
67 HZ1 LYS 11 3HZ LYS 11 -10.585 -12.178 -5.924
68 HZ2 LYS 11 1HZ LYS 11 -11.935 -13.144 -5.595
69 HZ3 LYS 11 2HZ LYS 11 -10.378 -13.790 -5.453
70 H ARG 12 H ARG 12 -6.335 -7.908 -2.501
71 HA ARG 12 HA ARG 12 -8.014 -5.739 -1.508
72 HB2 ARG 12 1HB ARG 12 -5.872 -7.026 0.194
73 HB3 ARG 12 2HB ARG 12 -6.837 -5.621 0.627
74 HG2 ARG 12 1HG ARG 12 -8.866 -7.052 0.504
75 HG3 ARG 12 2HG ARG 12 -7.810 -8.442 0.245
76 HD2 ARG 12 1HD ARG 12 -6.664 -7.838 2.400
77 HD3 ARG 12 2HD ARG 12 -7.944 -6.656 2.665
78 HE ARG 12 HE ARG 12 -8.146 -9.528 2.901
79 HH11 ARG 12 1HH1 ARG 12 -9.853 -6.514 2.554
80 HH12 ARG 12 2HH1 ARG 12 -11.339 -7.132 3.196
81 HH21 ARG 12 1HH2 ARG 12 -10.097 -10.353 3.748
82 HH22 ARG 12 2HH2 ARG 12 -11.476 -9.315 3.875
83 H TYR 13 H TYR 13 -7.045 -3.731 -1.576
84 HA TYR 13 HA TYR 13 -5.017 -3.321 -3.452
85 HB2 TYR 13 1HB TYR 13 -5.722 -1.378 -1.254
86 HB3 TYR 13 2HB TYR 13 -5.117 -1.013 -2.866
87 HD1 TYR 13 HD2 TYR 13 -8.058 -2.203 -0.973
88 HD2 TYR 13 HD1 TYR 13 -6.595 -0.809 -4.717
89 HE1 TYR 13 HE2 TYR 13 -10.369 -1.956 -1.778
90 HE2 TYR 13 HE1 TYR 13 -8.902 -0.557 -5.532
91 HH TYR 13 HH TYR 13 -11.460 -0.318 -3.766
92 H GLU 14 H GLU 14 -2.858 -3.274 -3.350
93 HA GLU 14 HA GLU 14 -1.602 -3.413 -0.687
94 HB2 GLU 14 1HB GLU 14 -1.582 -5.501 -2.261
95 HB3 GLU 14 2HB GLU 14 -0.329 -4.615 -3.119
96 HG2 GLU 14 1HG GLU 14 0.861 -4.420 -0.893
97 HG3 GLU 14 2HG GLU 14 -0.291 -5.610 -0.290
98 H CYS 15 H CYS 15 0.136 -2.129 -0.291
99 HA CYS 15 HA CYS 15 0.600 0.044 -2.134
100 HB2 CYS 15 1HB CYS 15 0.458 0.174 0.446
101 HB3 CYS 15 2HB CYS 15 2.120 -0.407 0.422
102 H SER 16 H SER 16 1.974 -0.162 -3.765
103 HA SER 16 HA SER 16 4.018 -2.166 -3.812
104 HB2 SER 16 1HB SER 16 2.643 -1.075 -5.783
105 HB3 SER 16 2HB SER 16 3.965 0.092 -5.776
106 HG SER 16 HG SER 16 5.238 -2.083 -5.714
107 H LYS 17 H LYS 17 3.919 0.557 -2.114
108 HA LYS 17 HA LYS 17 6.656 1.432 -2.664
109 HB2 LYS 17 1HB LYS 17 4.356 2.588 -1.129
110 HB3 LYS 17 2HB LYS 17 5.993 3.135 -0.794
111 HG2 LYS 17 1HG LYS 17 5.239 4.673 -2.342
112 HG3 LYS 17 2HG LYS 17 6.140 3.528 -3.339
113 HD2 LYS 17 1HD LYS 17 3.882 2.350 -3.671
114 HD3 LYS 17 2HD LYS 17 3.168 3.839 -3.048
115 HE2 LYS 17 1HE LYS 17 5.009 3.632 -5.429
116 HE3 LYS 17 2HE LYS 17 3.257 3.811 -5.502
117 HZ1 LYS 17 3HZ LYS 17 3.788 5.978 -5.642
118 HZ2 LYS 17 1HZ LYS 17 5.298 5.787 -4.904
119 HZ3 LYS 17 2HZ LYS 17 3.900 5.876 -3.957
120 H CYS 18 H CYS 18 4.667 0.398 0.105
121 HA CYS 18 HA CYS 18 7.150 -0.363 1.495
122 HB2 CYS 18 1HB CYS 18 5.824 -0.213 3.583
123 HB3 CYS 18 2HB CYS 18 5.893 1.318 2.716
124 H GLN 19 H GLN 19 4.613 -1.626 -0.212
125 HA GLN 19 HA GLN 19 3.854 -3.743 -0.553
126 HB2 GLN 19 1HB GLN 19 6.083 -4.560 1.317
127 HB3 GLN 19 2HB GLN 19 5.200 -5.622 0.230
128 HG2 GLN 19 1HG GLN 19 6.282 -4.857 -1.628
129 HG3 GLN 19 2HG GLN 19 6.604 -3.273 -0.923
130 HE21 GLN 19 1HE2 GLN 19 8.770 -3.296 -1.426
131 HE22 GLN 19 2HE2 GLN 19 9.904 -4.336 -0.640
132 H ALA 20 H ALA 20 2.369 -2.345 1.160
133 HA ALA 20 HA ALA 20 1.836 -4.157 3.420
134 HB1 ALA 20 3HB ALA 20 0.731 -2.293 4.514
135 HB2 ALA 20 1HB ALA 20 2.376 -1.848 4.057
136 HB3 ALA 20 2HB ALA 20 1.009 -1.275 3.101
137 H THR 21 H THR 21 -0.624 -3.902 4.089
138 HA THR 21 HA THR 21 -2.256 -4.192 1.652
139 HB THR 21 HB THR 21 -3.519 -5.990 2.731
140 HG1 THR 21 HG1 THR 21 -2.634 -5.119 4.935
141 HG21 THR 21 3HG2 THR 21 -1.336 -6.365 1.399
142 HG22 THR 21 1HG2 THR 21 -1.987 -7.705 2.341
143 HG23 THR 21 2HG2 THR 21 -0.631 -6.766 2.964
144 H PHE 22 H PHE 22 -4.360 -3.446 1.739
145 HA PHE 22 HA PHE 22 -5.264 -2.204 4.235
146 HB2 PHE 22 1HB PHE 22 -5.161 -0.822 1.547
147 HB3 PHE 22 2HB PHE 22 -5.996 -0.190 2.963
148 HD1 PHE 22 HD2 PHE 22 -4.623 0.294 5.040
149 HD2 PHE 22 HD1 PHE 22 -2.890 -0.423 1.219
150 HE1 PHE 22 HE2 PHE 22 -2.542 1.375 5.785
151 HE2 PHE 22 HE1 PHE 22 -0.806 0.656 1.958
152 HZ PHE 22 HZ PHE 22 -0.630 1.557 4.243
153 H ASN 23 H ASN 23 -7.594 -1.539 4.095
154 HA ASN 23 HA ASN 23 -9.074 -3.559 2.555
155 HB2 ASN 23 1HB ASN 23 -9.698 -2.133 5.140
156 HB3 ASN 23 2HB ASN 23 -10.914 -3.045 4.250
157 HD21 ASN 23 1HD2 ASN 23 -10.896 -4.169 6.392
158 HD22 ASN 23 2HD2 ASN 23 -9.815 -5.505 6.571
159 H LEU 24 H LEU 24 -9.140 -0.152 3.532
160 HA LEU 24 HA LEU 24 -11.260 0.389 1.599
161 HB2 LEU 24 1HB LEU 24 -10.089 1.816 3.920
162 HB3 LEU 24 2HB LEU 24 -10.764 2.798 2.622
163 HG LEU 24 HG LEU 24 -12.314 0.651 4.061
164 HD11 LEU 24 1HD1 LEU 24 -11.463 2.642 5.468
165 HD12 LEU 24 2HD1 LEU 24 -13.174 2.221 5.533
166 HD13 LEU 24 3HD1 LEU 24 -12.638 3.585 4.552
167 HD21 LEU 24 3HD2 LEU 24 -14.166 1.391 2.919
168 HD22 LEU 24 1HD2 LEU 24 -12.912 1.595 1.696
169 HD23 LEU 24 2HD2 LEU 24 -13.479 2.988 2.618
170 H ARG 25 H ARG 25 -10.857 1.133 -0.372
171 HA ARG 25 HA ARG 25 -8.286 1.467 -1.405
172 HB2 ARG 25 1HB ARG 25 -10.318 0.982 -2.753
173 HB3 ARG 25 2HB ARG 25 -10.852 2.637 -2.493
174 HG2 ARG 25 1HG ARG 25 -8.764 3.412 -3.613
175 HG3 ARG 25 2HG ARG 25 -8.415 1.726 -4.002
176 HD2 ARG 25 1HD ARG 25 -9.488 2.881 -5.874
177 HD3 ARG 25 2HD ARG 25 -10.491 1.568 -5.258
178 HE ARG 25 HE ARG 25 -11.078 4.178 -4.162
179 HH11 ARG 25 1HH1 ARG 25 -11.785 1.837 -6.640
180 HH12 ARG 25 2HH1 ARG 25 -13.360 2.475 -6.976
181 HH21 ARG 25 1HH2 ARG 25 -13.150 5.028 -4.596
182 HH22 ARG 25 2HH2 ARG 25 -14.135 4.291 -5.814
183 H LYS 26 H LYS 26 -10.236 3.616 0.404
184 HA LYS 26 HA LYS 26 -8.968 6.034 -0.535
185 HB2 LYS 26 1HB LYS 26 -10.446 7.187 0.828
186 HB3 LYS 26 2HB LYS 26 -11.364 5.735 0.449
187 HG2 LYS 26 1HG LYS 26 -11.709 5.813 2.688
188 HG3 LYS 26 2HG LYS 26 -10.218 4.869 2.670
189 HD2 LYS 26 1HD LYS 26 -9.643 6.442 4.221
190 HD3 LYS 26 2HD LYS 26 -9.126 7.282 2.757
191 HE2 LYS 26 1HE LYS 26 -11.433 8.333 2.720
192 HE3 LYS 26 2HE LYS 26 -11.648 7.692 4.347
193 HZ1 LYS 26 3HZ LYS 26 -10.354 9.272 5.209
194 HZ2 LYS 26 1HZ LYS 26 -10.548 10.088 3.739
195 HZ3 LYS 26 2HZ LYS 26 -9.181 9.125 3.998
196 H HIS 27 H HIS 27 -8.434 3.670 1.926
197 HA HIS 27 HA HIS 27 -6.908 5.222 3.724
198 HB2 HIS 27 1HB HIS 27 -7.272 2.310 3.206
199 HB3 HIS 27 2HB HIS 27 -5.884 2.805 4.169
200 HD1 HIS 27 HD1 HIS 27 -6.686 1.968 6.410
201 HD2 HIS 27 HD2 HIS 27 -9.431 4.464 4.539
202 HE1 HIS 27 HE1 HIS 27 -8.454 2.438 8.136
203 H LEU 28 H LEU 28 -6.105 3.505 0.774
204 HA LEU 28 HA LEU 28 -3.271 3.736 1.093
205 HB2 LEU 28 1HB LEU 28 -3.871 1.981 -0.281
206 HB3 LEU 28 2HB LEU 28 -5.109 2.921 -1.111
207 HG LEU 28 HG LEU 28 -3.132 4.237 -2.112
208 HD11 LEU 28 1HD1 LEU 28 -1.337 2.088 -2.218
209 HD12 LEU 28 2HD1 LEU 28 -1.742 2.303 -0.516
210 HD13 LEU 28 3HD1 LEU 28 -1.100 3.656 -1.446
211 HD21 LEU 28 3HD2 LEU 28 -3.311 1.384 -3.019
212 HD22 LEU 28 1HD2 LEU 28 -3.130 2.849 -3.986
213 HD23 LEU 28 2HD2 LEU 28 -4.670 2.494 -3.202
214 H ILE 29 H ILE 29 -5.785 5.633 -0.452
215 HA ILE 29 HA ILE 29 -4.280 7.305 -2.063
216 HB ILE 29 HB ILE 29 -6.698 8.091 -0.433
217 HG12 ILE 29 1HG1 ILE 29 -6.992 6.073 -1.895
218 HG13 ILE 29 2HG1 ILE 29 -8.029 7.430 -2.324
219 HG21 ILE 29 1HG2 ILE 29 -5.009 9.623 -2.099
220 HG22 ILE 29 2HG2 ILE 29 -6.526 9.387 -2.965
221 HG23 ILE 29 3HG2 ILE 29 -6.534 10.102 -1.354
222 HD11 ILE 29 3HD1 ILE 29 -6.881 7.859 -4.271
223 HD12 ILE 29 1HD1 ILE 29 -5.412 7.063 -3.706
224 HD13 ILE 29 2HD1 ILE 29 -6.813 6.099 -4.178
225 H GLN 30 H GLN 30 -5.244 7.893 1.321
226 HA GLN 30 HA GLN 30 -3.681 10.241 1.594
227 HB2 GLN 30 1HB GLN 30 -5.686 9.416 3.013
228 HB3 GLN 30 2HB GLN 30 -4.481 8.500 3.908
229 HG2 GLN 30 1HG GLN 30 -3.505 10.376 4.791
230 HG3 GLN 30 2HG GLN 30 -4.048 11.411 3.471
231 HE21 GLN 30 1HE2 GLN 30 -5.180 12.950 4.458
232 HE22 GLN 30 2HE2 GLN 30 -6.515 12.681 5.521
233 H HIS 31 H HIS 31 -3.076 6.838 2.217
234 HA HIS 31 HA HIS 31 -0.722 7.083 3.715
235 HB2 HIS 31 1HB HIS 31 -1.849 4.959 3.576
236 HB3 HIS 31 2HB HIS 31 -1.639 4.907 1.828
237 HD1 HIS 31 HD1 HIS 31 0.379 4.677 5.017
238 HD2 HIS 31 HD2 HIS 31 0.705 3.771 0.975
239 HE1 HIS 31 HE1 HIS 31 2.508 3.356 4.793
240 H GLN 32 H GLN 32 -1.141 6.622 0.207
241 HA GLN 32 HA GLN 32 1.433 6.526 -0.650
242 HB2 GLN 32 1HB GLN 32 -0.957 7.908 -1.845
243 HB3 GLN 32 2HB GLN 32 0.595 7.886 -2.672
244 HG2 GLN 32 1HG GLN 32 0.495 5.347 -2.404
245 HG3 GLN 32 2HG GLN 32 -1.206 5.587 -2.011
246 HE21 GLN 32 1HE2 GLN 32 0.765 4.752 -4.418
247 HE22 GLN 32 2HE2 GLN 32 -0.140 5.308 -5.781
248 H LYS 33 H LYS 33 -0.143 9.209 0.832
249 HA LYS 33 HA LYS 33 1.507 11.298 -0.104
250 HB2 LYS 33 1HB LYS 33 0.057 11.096 2.542
251 HB3 LYS 33 2HB LYS 33 0.661 12.573 1.802
252 HG2 LYS 33 1HG LYS 33 -0.878 12.085 -0.137
253 HG3 LYS 33 2HG LYS 33 -1.599 10.828 0.870
254 HD2 LYS 33 1HD LYS 33 -2.381 12.388 2.444
255 HD3 LYS 33 2HD LYS 33 -1.330 13.664 1.827
256 HE2 LYS 33 1HE LYS 33 -3.325 14.302 0.906
257 HE3 LYS 33 2HE LYS 33 -2.706 13.269 -0.382
258 HZ1 LYS 33 3HZ LYS 33 -5.120 12.969 0.483
259 HZ2 LYS 33 1HZ LYS 33 -4.380 12.089 1.724
260 HZ3 LYS 33 2HZ LYS 33 -4.184 11.609 0.115
261 H THR 34 H THR 34 1.686 9.269 2.805
262 HA THR 34 HA THR 34 3.948 10.466 3.944
263 HB THR 34 HB THR 34 4.232 8.378 5.213
264 HG1 THR 34 HG1 THR 34 2.584 7.410 3.173
265 HG21 THR 34 3HG2 THR 34 1.937 8.286 6.203
266 HG22 THR 34 1HG2 THR 34 1.388 9.335 4.897
267 HG23 THR 34 2HG2 THR 34 2.591 9.916 6.049
268 H HIS 35 H HIS 35 3.680 8.718 1.088
269 HA HIS 35 HA HIS 35 6.449 7.767 1.173
270 HB2 HIS 35 1HB HIS 35 4.088 7.164 -0.574
271 HB3 HIS 35 2HB HIS 35 5.716 6.835 -1.160
272 HD1 HIS 35 HD1 HIS 35 7.030 5.667 1.311
273 HD2 HIS 35 HD2 HIS 35 3.167 4.712 0.114
274 HE1 HIS 35 HE1 HIS 35 6.538 3.430 2.349
275 H ALA 36 H ALA 36 5.310 10.622 0.763
276 HA ALA 36 HA ALA 36 6.689 11.220 -1.767
277 HB1 ALA 36 3HB ALA 36 4.252 11.908 -1.391
278 HB2 ALA 36 1HB ALA 36 4.902 13.133 -0.300
279 HB3 ALA 36 2HB ALA 36 5.365 13.132 -2.003
280 H ALA 37 H ALA 37 8.773 11.641 -1.356
281 HA ALA 37 HA ALA 37 9.463 13.946 0.197
282 HB1 ALA 37 3HB ALA 37 11.056 12.701 1.695
283 HB2 ALA 37 1HB ALA 37 9.344 12.484 2.062
284 HB3 ALA 37 2HB ALA 37 10.232 11.219 1.211
285 H LYS 38 H LYS 38 11.658 14.595 -0.091
286 HA LYS 38 HA LYS 38 12.782 13.613 -2.583
287 HB2 LYS 38 1HB LYS 38 13.585 15.928 -0.811
288 HB3 LYS 38 2HB LYS 38 14.316 15.552 -2.366
289 HG2 LYS 38 1HG LYS 38 11.371 16.025 -2.138
290 HG3 LYS 38 2HG LYS 38 12.503 17.375 -2.245
291 HD2 LYS 38 1HD LYS 38 13.413 16.361 -4.331
292 HD3 LYS 38 2HD LYS 38 12.138 15.143 -4.243
293 HE2 LYS 38 1HE LYS 38 11.190 16.688 -5.660
294 HE3 LYS 38 2HE LYS 38 10.564 17.222 -4.101
295 HZ1 LYS 38 3HZ LYS 38 12.054 18.692 -5.929
296 HZ2 LYS 38 1HZ LYS 38 13.050 18.453 -4.583
297 HZ3 LYS 38 2HZ LYS 38 11.533 19.175 -4.394
298 H SER 39 H SER 39 13.938 14.189 0.739
299 HA SER 39 HA SER 39 16.385 12.754 0.263
300 HB2 SER 39 1HB SER 39 15.145 13.951 2.743
301 HB3 SER 39 2HB SER 39 16.674 13.073 2.771
302 HG SER 39 HG SER 39 16.363 15.120 0.896
303 H GLY 40 H GLY 40 16.707 10.638 0.463
304 HA2 GLY 40 1HA GLY 40 15.823 8.943 2.430
305 HA3 GLY 40 2HA GLY 40 14.555 8.901 1.214
306 HA PRO 41 HA PRO 41 16.796 5.729 -0.836
307 HB2 PRO 41 1HB PRO 41 15.756 5.987 -3.331
308 HB3 PRO 41 2HB PRO 41 14.851 5.294 -1.979
309 HG2 PRO 41 1HG PRO 41 14.742 8.064 -3.110
310 HG3 PRO 41 2HG PRO 41 13.410 7.013 -2.593
311 HD2 PRO 41 1HD PRO 41 14.365 9.022 -1.049
312 HD3 PRO 41 2HD PRO 41 13.708 7.522 -0.365
313 H SER 42 H SER 42 18.036 5.402 -2.978
314 HA SER 42 HA SER 42 19.739 7.765 -3.383
315 HB2 SER 42 1HB SER 42 20.312 4.814 -3.709
316 HB3 SER 42 2HB SER 42 21.424 6.083 -4.222
317 HG SER 42 HG SER 42 21.937 5.376 -2.134
318 H SER 43 H SER 43 20.052 8.611 -5.372
319 HA SER 43 HA SER 43 19.548 9.145 -7.531
320 HB2 SER 43 1HB SER 43 21.120 7.283 -7.907
321 HB3 SER 43 2HB SER 43 19.774 6.144 -7.876
322 HG SER 43 HG SER 43 18.917 7.290 -9.699
323 H GLY 44 H GLY 44 17.296 9.056 -5.956
324 HA2 GLY 44 1HA GLY 44 15.138 9.370 -7.343
325 HA3 GLY 44 2HA GLY 44 15.286 7.633 -7.567
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 -10.706 -36.969 -8.100
2 HA2 GLY 1 1HA GLY 1 -10.402 -38.500 -10.523
3 HA3 GLY 1 2HA GLY 1 -12.055 -38.460 -9.927
4 H SER 2 H SER 2 -9.355 -36.213 -10.538
5 HA SER 2 HA SER 2 -9.284 -34.164 -11.523
6 HB2 SER 2 1HB SER 2 -10.461 -35.442 -13.363
7 HB3 SER 2 2HB SER 2 -11.981 -34.825 -12.718
8 HG SER 2 HG SER 2 -9.958 -32.979 -13.227
9 H SER 3 H SER 3 -10.170 -34.233 -8.917
10 HA SER 3 HA SER 3 -12.600 -32.902 -8.438
11 HB2 SER 3 1HB SER 3 -11.708 -32.460 -6.197
12 HB3 SER 3 2HB SER 3 -11.356 -34.117 -6.688
13 HG SER 3 HG SER 3 -9.444 -32.190 -7.292
14 H GLY 4 H GLY 4 -12.437 -30.692 -7.112
15 HA2 GLY 4 1HA GLY 4 -10.704 -28.813 -8.558
16 HA3 GLY 4 2HA GLY 4 -12.441 -28.553 -8.588
17 H SER 5 H SER 5 -11.498 -26.454 -7.660
18 HA SER 5 HA SER 5 -12.072 -26.440 -4.850
19 HB2 SER 5 1HB SER 5 -9.887 -25.383 -4.202
20 HB3 SER 5 2HB SER 5 -9.757 -27.083 -4.652
21 HG SER 5 HG SER 5 -9.055 -26.389 -6.724
22 H SER 6 H SER 6 -12.435 -24.346 -4.029
23 HA SER 6 HA SER 6 -12.687 -22.292 -6.122
24 HB2 SER 6 1HB SER 6 -14.314 -22.886 -3.662
25 HB3 SER 6 2HB SER 6 -14.370 -21.296 -4.424
26 HG SER 6 HG SER 6 -14.678 -23.514 -6.079
27 H GLY 7 H GLY 7 -12.453 -20.028 -5.398
28 HA2 GLY 7 1HA GLY 7 -10.415 -19.812 -3.268
29 HA3 GLY 7 2HA GLY 7 -10.354 -18.876 -4.754
30 H HIS 8 H HIS 8 -11.819 -19.207 -1.624
31 HA HIS 8 HA HIS 8 -13.503 -16.860 -2.038
32 HB2 HIS 8 1HB HIS 8 -14.182 -19.017 -0.755
33 HB3 HIS 8 2HB HIS 8 -13.239 -18.334 0.566
34 HD1 HIS 8 HD1 HIS 8 -15.603 -16.505 -1.773
35 HD2 HIS 8 HD2 HIS 8 -15.190 -17.464 2.248
36 HE1 HIS 8 HE1 HIS 8 -17.460 -15.284 -0.597
37 H THR 9 H THR 9 -12.297 -15.044 -2.023
38 HA THR 9 HA THR 9 -11.106 -14.231 0.468
39 HB THR 9 HB THR 9 -9.215 -15.439 -0.494
40 HG1 THR 9 HG1 THR 9 -9.125 -13.106 0.467
41 HG21 THR 9 3HG2 THR 9 -8.647 -15.374 -2.657
42 HG22 THR 9 1HG2 THR 9 -8.692 -13.612 -2.695
43 HG23 THR 9 2HG2 THR 9 -10.175 -14.537 -2.928
44 H ARG 10 H ARG 10 -11.193 -12.061 0.721
45 HA ARG 10 HA ARG 10 -12.417 -10.525 -1.418
46 HB2 ARG 10 1HB ARG 10 -11.769 -9.816 1.449
47 HB3 ARG 10 2HB ARG 10 -12.587 -8.744 0.320
48 HG2 ARG 10 1HG ARG 10 -14.409 -10.376 0.111
49 HG3 ARG 10 2HG ARG 10 -13.595 -11.411 1.286
50 HD2 ARG 10 1HD ARG 10 -14.278 -8.565 1.933
51 HD3 ARG 10 2HD ARG 10 -15.473 -9.850 2.107
52 HE ARG 10 HE ARG 10 -13.032 -10.504 3.415
53 HH11 ARG 10 1HH1 ARG 10 -15.938 -8.610 3.720
54 HH12 ARG 10 2HH1 ARG 10 -15.908 -8.604 5.452
55 HH21 ARG 10 1HH2 ARG 10 -12.982 -10.504 5.696
56 HH22 ARG 10 2HH2 ARG 10 -14.226 -9.681 6.575
57 H LYS 11 H LYS 11 -11.161 -9.591 -2.883
58 HA LYS 11 HA LYS 11 -8.410 -9.212 -2.701
59 HB2 LYS 11 1HB LYS 11 -10.557 -8.120 -4.468
60 HB3 LYS 11 2HB LYS 11 -8.955 -7.400 -4.549
61 HG2 LYS 11 1HG LYS 11 -9.501 -10.338 -4.896
62 HG3 LYS 11 2HG LYS 11 -9.365 -9.185 -6.226
63 HD2 LYS 11 1HD LYS 11 -7.081 -8.592 -5.232
64 HD3 LYS 11 2HD LYS 11 -7.249 -10.071 -4.284
65 HE2 LYS 11 1HE LYS 11 -6.012 -10.644 -6.222
66 HE3 LYS 11 2HE LYS 11 -7.638 -11.284 -6.456
67 HZ1 LYS 11 3HZ LYS 11 -6.524 -10.032 -8.376
68 HZ2 LYS 11 1HZ LYS 11 -6.904 -8.629 -7.509
69 HZ3 LYS 11 2HZ LYS 11 -8.137 -9.670 -8.016
70 H ARG 12 H ARG 12 -7.131 -7.672 -1.867
71 HA ARG 12 HA ARG 12 -8.426 -5.258 -0.780
72 HB2 ARG 12 1HB ARG 12 -6.297 -7.031 0.377
73 HB3 ARG 12 2HB ARG 12 -6.413 -5.344 0.862
74 HG2 ARG 12 1HG ARG 12 -8.576 -5.658 1.770
75 HG3 ARG 12 2HG ARG 12 -8.725 -7.254 1.033
76 HD2 ARG 12 1HD ARG 12 -8.245 -7.450 3.407
77 HD3 ARG 12 2HD ARG 12 -6.901 -8.071 2.450
78 HE ARG 12 HE ARG 12 -6.138 -5.543 2.903
79 HH11 ARG 12 1HH1 ARG 12 -7.365 -8.014 5.026
80 HH12 ARG 12 2HH1 ARG 12 -6.495 -7.439 6.410
81 HH21 ARG 12 1HH2 ARG 12 -4.988 -4.777 4.718
82 HH22 ARG 12 2HH2 ARG 12 -5.145 -5.597 6.234
83 H TYR 13 H TYR 13 -6.967 -3.380 -0.556
84 HA TYR 13 HA TYR 13 -5.387 -3.082 -2.971
85 HB2 TYR 13 1HB TYR 13 -5.732 -0.929 -0.910
86 HB3 TYR 13 2HB TYR 13 -5.556 -0.777 -2.655
87 HD1 TYR 13 HD2 TYR 13 -7.906 -1.811 0.020
88 HD2 TYR 13 HD1 TYR 13 -7.450 -0.690 -4.059
89 HE1 TYR 13 HE2 TYR 13 -10.350 -1.656 -0.205
90 HE2 TYR 13 HE1 TYR 13 -9.893 -0.531 -4.295
91 HH TYR 13 HH TYR 13 -11.994 -1.861 -2.604
92 H GLU 14 H GLU 14 -3.215 -2.794 -3.082
93 HA GLU 14 HA GLU 14 -1.720 -3.030 -0.554
94 HB2 GLU 14 1HB GLU 14 -1.367 -4.322 -3.209
95 HB3 GLU 14 2HB GLU 14 0.089 -3.894 -2.321
96 HG2 GLU 14 1HG GLU 14 -0.644 -5.221 -0.429
97 HG3 GLU 14 2HG GLU 14 -2.146 -5.612 -1.265
98 H CYS 15 H CYS 15 0.398 -2.008 -0.506
99 HA CYS 15 HA CYS 15 0.306 0.611 -1.730
100 HB2 CYS 15 1HB CYS 15 1.056 -0.050 0.699
101 HB3 CYS 15 2HB CYS 15 2.609 -0.353 -0.074
102 H SER 16 H SER 16 2.370 1.532 -2.644
103 HA SER 16 HA SER 16 3.529 -0.422 -4.511
104 HB2 SER 16 1HB SER 16 2.219 1.644 -5.340
105 HB3 SER 16 2HB SER 16 3.641 2.568 -4.859
106 HG SER 16 HG SER 16 3.341 1.462 -7.129
107 H LYS 17 H LYS 17 4.244 1.529 -1.837
108 HA LYS 17 HA LYS 17 7.118 1.540 -2.439
109 HB2 LYS 17 1HB LYS 17 5.576 2.993 -0.281
110 HB3 LYS 17 2HB LYS 17 7.309 3.122 -0.553
111 HG2 LYS 17 1HG LYS 17 5.491 3.729 -2.820
112 HG3 LYS 17 2HG LYS 17 5.615 4.901 -1.506
113 HD2 LYS 17 1HD LYS 17 7.240 5.555 -3.080
114 HD3 LYS 17 2HD LYS 17 8.136 4.732 -1.801
115 HE2 LYS 17 1HE LYS 17 8.554 2.876 -3.110
116 HE3 LYS 17 2HE LYS 17 7.173 3.179 -4.163
117 HZ1 LYS 17 3HZ LYS 17 9.454 3.627 -5.117
118 HZ2 LYS 17 1HZ LYS 17 9.523 4.976 -4.099
119 HZ3 LYS 17 2HZ LYS 17 8.319 4.870 -5.281
120 H CYS 18 H CYS 18 4.984 0.960 0.365
121 HA CYS 18 HA CYS 18 7.001 -0.851 1.469
122 HB2 CYS 18 1HB CYS 18 5.713 -0.724 3.546
123 HB3 CYS 18 2HB CYS 18 6.104 0.888 2.957
124 H GLN 19 H GLN 19 4.551 -1.122 -0.621
125 HA GLN 19 HA GLN 19 3.051 -2.741 -1.225
126 HB2 GLN 19 1HB GLN 19 3.977 -5.002 -1.228
127 HB3 GLN 19 2HB GLN 19 5.190 -3.828 -1.723
128 HG2 GLN 19 1HG GLN 19 6.298 -3.959 0.366
129 HG3 GLN 19 2HG GLN 19 4.976 -4.879 1.082
130 HE21 GLN 19 1HE2 GLN 19 7.940 -5.034 -0.497
131 HE22 GLN 19 2HE2 GLN 19 7.975 -6.733 -0.805
132 H ALA 20 H ALA 20 2.540 -1.642 1.352
133 HA ALA 20 HA ALA 20 1.946 -3.727 3.213
134 HB1 ALA 20 3HB ALA 20 1.280 -0.811 3.057
135 HB2 ALA 20 1HB ALA 20 0.548 -1.846 4.285
136 HB3 ALA 20 2HB ALA 20 2.301 -1.661 4.217
137 H THR 21 H THR 21 -0.520 -3.448 4.128
138 HA THR 21 HA THR 21 -2.307 -3.887 1.828
139 HB THR 21 HB THR 21 -3.464 -5.643 3.222
140 HG1 THR 21 HG1 THR 21 -2.047 -4.813 5.140
141 HG21 THR 21 3HG2 THR 21 -0.733 -6.693 2.864
142 HG22 THR 21 1HG2 THR 21 -1.426 -5.888 1.457
143 HG23 THR 21 2HG2 THR 21 -2.262 -7.256 2.191
144 H PHE 22 H PHE 22 -4.445 -3.252 2.076
145 HA PHE 22 HA PHE 22 -5.187 -1.949 4.594
146 HB2 PHE 22 1HB PHE 22 -5.307 -0.683 1.853
147 HB3 PHE 22 2HB PHE 22 -6.170 -0.052 3.252
148 HD1 PHE 22 HD2 PHE 22 -4.982 1.012 5.071
149 HD2 PHE 22 HD1 PHE 22 -2.907 -0.506 1.679
150 HE1 PHE 22 HE2 PHE 22 -2.981 2.283 5.731
151 HE2 PHE 22 HE1 PHE 22 -0.902 0.762 2.334
152 HZ PHE 22 HZ PHE 22 -0.938 2.160 4.361
153 H ASN 23 H ASN 23 -7.565 -1.340 4.574
154 HA ASN 23 HA ASN 23 -9.056 -3.608 3.491
155 HB2 ASN 23 1HB ASN 23 -10.893 -2.490 5.008
156 HB3 ASN 23 2HB ASN 23 -9.596 -3.435 5.732
157 HD21 ASN 23 1HD2 ASN 23 -8.804 -2.535 7.475
158 HD22 ASN 23 2HD2 ASN 23 -8.626 -0.840 7.763
159 H LEU 24 H LEU 24 -9.108 -0.069 3.523
160 HA LEU 24 HA LEU 24 -11.186 -0.108 1.447
161 HB2 LEU 24 1HB LEU 24 -10.172 2.261 3.004
162 HB3 LEU 24 2HB LEU 24 -11.604 2.190 1.978
163 HG LEU 24 HG LEU 24 -11.423 0.432 4.389
164 HD11 LEU 24 1HD1 LEU 24 -11.738 3.382 4.348
165 HD12 LEU 24 2HD1 LEU 24 -11.023 2.334 5.573
166 HD13 LEU 24 3HD1 LEU 24 -12.777 2.453 5.429
167 HD21 LEU 24 3HD2 LEU 24 -13.792 1.858 3.213
168 HD22 LEU 24 1HD2 LEU 24 -13.771 0.455 4.282
169 HD23 LEU 24 2HD2 LEU 24 -13.234 0.296 2.610
170 H ARG 25 H ARG 25 -10.947 1.772 -0.167
171 HA ARG 25 HA ARG 25 -8.380 1.448 -1.456
172 HB2 ARG 25 1HB ARG 25 -10.311 1.334 -2.870
173 HB3 ARG 25 2HB ARG 25 -10.917 2.869 -2.264
174 HG2 ARG 25 1HG ARG 25 -10.053 3.431 -4.330
175 HG3 ARG 25 2HG ARG 25 -8.740 3.855 -3.230
176 HD2 ARG 25 1HD ARG 25 -7.582 1.807 -3.746
177 HD3 ARG 25 2HD ARG 25 -8.939 1.242 -4.719
178 HE ARG 25 HE ARG 25 -7.798 3.736 -5.604
179 HH11 ARG 25 1HH1 ARG 25 -7.675 0.264 -5.831
180 HH12 ARG 25 2HH1 ARG 25 -6.911 0.263 -7.386
181 HH21 ARG 25 1HH2 ARG 25 -6.792 3.747 -7.651
182 HH22 ARG 25 2HH2 ARG 25 -6.408 2.244 -8.420
183 H LYS 26 H LYS 26 -10.369 4.308 -0.671
184 HA LYS 26 HA LYS 26 -8.447 6.245 -1.089
185 HB2 LYS 26 1HB LYS 26 -9.806 7.725 0.174
186 HB3 LYS 26 2HB LYS 26 -10.905 6.585 -0.592
187 HG2 LYS 26 1HG LYS 26 -9.935 6.018 2.165
188 HG3 LYS 26 2HG LYS 26 -11.184 7.241 1.924
189 HD2 LYS 26 1HD LYS 26 -12.375 5.436 0.522
190 HD3 LYS 26 2HD LYS 26 -11.275 4.304 1.314
191 HE2 LYS 26 1HE LYS 26 -13.013 4.221 2.785
192 HE3 LYS 26 2HE LYS 26 -12.119 5.572 3.479
193 HZ1 LYS 26 3HZ LYS 26 -14.591 5.628 1.872
194 HZ2 LYS 26 1HZ LYS 26 -13.597 6.993 1.965
195 HZ3 LYS 26 2HZ LYS 26 -14.281 6.349 3.371
196 H HIS 27 H HIS 27 -8.639 3.928 1.434
197 HA HIS 27 HA HIS 27 -7.120 5.328 3.394
198 HB2 HIS 27 1HB HIS 27 -8.060 2.532 3.006
199 HB3 HIS 27 2HB HIS 27 -6.708 2.785 4.106
200 HD1 HIS 27 HD1 HIS 27 -7.658 2.666 6.386
201 HD2 HIS 27 HD2 HIS 27 -10.061 4.882 3.822
202 HE1 HIS 27 HE1 HIS 27 -9.515 3.574 7.820
203 H LEU 28 H LEU 28 -6.327 3.276 0.674
204 HA LEU 28 HA LEU 28 -3.579 2.921 1.401
205 HB2 LEU 28 1HB LEU 28 -4.495 1.241 0.041
206 HB3 LEU 28 2HB LEU 28 -5.169 2.411 -1.092
207 HG LEU 28 HG LEU 28 -2.922 2.921 -1.907
208 HD11 LEU 28 1HD1 LEU 28 -0.985 2.042 -1.065
209 HD12 LEU 28 2HD1 LEU 28 -1.788 0.626 -0.388
210 HD13 LEU 28 3HD1 LEU 28 -1.935 2.191 0.413
211 HD21 LEU 28 3HD2 LEU 28 -4.371 0.954 -2.737
212 HD22 LEU 28 1HD2 LEU 28 -3.177 -0.063 -1.930
213 HD23 LEU 28 2HD2 LEU 28 -2.677 1.024 -3.226
214 H ILE 29 H ILE 29 -5.229 4.840 -1.109
215 HA ILE 29 HA ILE 29 -2.990 6.144 -2.121
216 HB ILE 29 HB ILE 29 -5.793 7.245 -1.896
217 HG12 ILE 29 1HG1 ILE 29 -5.644 6.463 -4.432
218 HG13 ILE 29 2HG1 ILE 29 -4.472 5.331 -3.766
219 HG21 ILE 29 1HG2 ILE 29 -5.226 8.780 -3.606
220 HG22 ILE 29 2HG2 ILE 29 -3.943 8.882 -2.401
221 HG23 ILE 29 3HG2 ILE 29 -3.677 7.990 -3.899
222 HD11 ILE 29 3HD1 ILE 29 -6.045 4.138 -2.675
223 HD12 ILE 29 1HD1 ILE 29 -7.052 5.549 -2.351
224 HD13 ILE 29 2HD1 ILE 29 -7.073 4.798 -3.947
225 H GLN 30 H GLN 30 -5.077 7.003 0.602
226 HA GLN 30 HA GLN 30 -3.898 9.516 1.130
227 HB2 GLN 30 1HB GLN 30 -6.122 8.414 2.006
228 HB3 GLN 30 2HB GLN 30 -5.089 7.863 3.318
229 HG2 GLN 30 1HG GLN 30 -5.198 10.747 2.515
230 HG3 GLN 30 2HG GLN 30 -6.372 10.047 3.629
231 HE21 GLN 30 1HE2 GLN 30 -5.011 8.458 5.223
232 HE22 GLN 30 2HE2 GLN 30 -3.769 9.304 6.074
233 H HIS 31 H HIS 31 -2.924 6.282 1.816
234 HA HIS 31 HA HIS 31 -1.059 7.059 3.898
235 HB2 HIS 31 1HB HIS 31 -1.892 4.945 4.352
236 HB3 HIS 31 2HB HIS 31 -1.901 4.470 2.656
237 HD1 HIS 31 HD1 HIS 31 0.366 4.738 5.631
238 HD2 HIS 31 HD2 HIS 31 0.455 3.318 1.727
239 HE1 HIS 31 HE1 HIS 31 2.488 3.401 5.450
240 H GLN 32 H GLN 32 -0.878 5.698 0.613
241 HA GLN 32 HA GLN 32 1.779 5.450 0.210
242 HB2 GLN 32 1HB GLN 32 -0.445 6.339 -1.555
243 HB3 GLN 32 2HB GLN 32 1.196 6.535 -2.157
244 HG2 GLN 32 1HG GLN 32 1.620 4.211 -2.025
245 HG3 GLN 32 2HG GLN 32 0.142 3.927 -1.107
246 HE21 GLN 32 1HE2 GLN 32 1.436 3.379 -3.968
247 HE22 GLN 32 2HE2 GLN 32 0.046 3.465 -4.990
248 H LYS 33 H LYS 33 0.008 8.509 -0.250
249 HA LYS 33 HA LYS 33 1.931 10.233 -0.987
250 HB2 LYS 33 1HB LYS 33 0.675 11.970 -0.071
251 HB3 LYS 33 2HB LYS 33 -0.512 10.687 -0.266
252 HG2 LYS 33 1HG LYS 33 -0.421 10.159 2.066
253 HG3 LYS 33 2HG LYS 33 0.931 11.268 2.311
254 HD2 LYS 33 1HD LYS 33 -1.189 12.240 3.068
255 HD3 LYS 33 2HD LYS 33 -0.495 13.157 1.730
256 HE2 LYS 33 1HE LYS 33 -2.472 10.988 1.173
257 HE3 LYS 33 2HE LYS 33 -3.038 12.557 1.741
258 HZ1 LYS 33 3HZ LYS 33 -2.960 13.161 -0.384
259 HZ2 LYS 33 1HZ LYS 33 -2.060 11.802 -0.841
260 HZ3 LYS 33 2HZ LYS 33 -1.275 13.173 -0.238
261 H THR 34 H THR 34 1.547 8.900 2.256
262 HA THR 34 HA THR 34 3.251 10.399 3.757
263 HB THR 34 HB THR 34 3.684 8.467 5.138
264 HG1 THR 34 HG1 THR 34 2.842 7.008 2.846
265 HG21 THR 34 3HG2 THR 34 1.155 7.441 4.806
266 HG22 THR 34 1HG2 THR 34 1.018 9.049 4.097
267 HG23 THR 34 2HG2 THR 34 1.567 8.864 5.763
268 H HIS 35 H HIS 35 4.177 7.759 1.570
269 HA HIS 35 HA HIS 35 6.960 7.947 2.099
270 HB2 HIS 35 1HB HIS 35 5.662 6.847 -0.398
271 HB3 HIS 35 2HB HIS 35 7.251 6.445 0.245
272 HD1 HIS 35 HD1 HIS 35 7.053 5.345 2.816
273 HD2 HIS 35 HD2 HIS 35 3.799 5.010 0.254
274 HE1 HIS 35 HE1 HIS 35 5.668 3.455 3.730
275 H ALA 36 H ALA 36 4.808 9.484 -0.201
276 HA ALA 36 HA ALA 36 6.906 10.630 -1.786
277 HB1 ALA 36 3HB ALA 36 5.251 11.048 -3.206
278 HB2 ALA 36 1HB ALA 36 4.146 10.295 -2.055
279 HB3 ALA 36 2HB ALA 36 4.408 12.039 -2.016
280 H ALA 37 H ALA 37 8.260 11.846 -0.516
281 HA ALA 37 HA ALA 37 7.071 14.276 0.648
282 HB1 ALA 37 3HB ALA 37 9.544 13.231 1.889
283 HB2 ALA 37 1HB ALA 37 8.168 14.058 2.618
284 HB3 ALA 37 2HB ALA 37 8.053 12.346 2.211
285 H LYS 38 H LYS 38 8.711 16.042 0.934
286 HA LYS 38 HA LYS 38 10.532 16.065 -1.379
287 HB2 LYS 38 1HB LYS 38 8.743 17.725 -1.512
288 HB3 LYS 38 2HB LYS 38 9.200 18.368 0.060
289 HG2 LYS 38 1HG LYS 38 11.447 18.907 -0.940
290 HG3 LYS 38 2HG LYS 38 10.749 18.505 -2.511
291 HD2 LYS 38 1HD LYS 38 9.476 20.511 -0.670
292 HD3 LYS 38 2HD LYS 38 10.745 20.965 -1.811
293 HE2 LYS 38 1HE LYS 38 9.244 19.764 -3.556
294 HE3 LYS 38 2HE LYS 38 7.973 19.971 -2.352
295 HZ1 LYS 38 3HZ LYS 38 9.442 22.023 -3.866
296 HZ2 LYS 38 1HZ LYS 38 8.775 22.412 -2.361
297 HZ3 LYS 38 2HZ LYS 38 7.777 21.868 -3.612
298 H SER 39 H SER 39 10.239 17.534 1.862
299 HA SER 39 HA SER 39 12.854 18.362 2.169
300 HB2 SER 39 1HB SER 39 10.854 18.762 3.719
301 HB3 SER 39 2HB SER 39 11.248 17.204 4.446
302 HG SER 39 HG SER 39 12.856 19.534 4.335
303 H GLY 40 H GLY 40 14.650 17.467 3.330
304 HA2 GLY 40 1HA GLY 40 16.234 15.820 3.592
305 HA3 GLY 40 2HA GLY 40 14.920 14.916 4.329
306 HA PRO 41 HA PRO 41 16.431 12.651 0.545
307 HB2 PRO 41 1HB PRO 41 16.794 10.271 1.799
308 HB3 PRO 41 2HB PRO 41 18.045 11.517 1.722
309 HG2 PRO 41 1HG PRO 41 16.152 10.870 3.949
310 HG3 PRO 41 2HG PRO 41 17.883 11.248 4.026
311 HD2 PRO 41 1HD PRO 41 15.966 13.074 4.595
312 HD3 PRO 41 2HD PRO 41 17.522 13.519 3.866
313 H SER 42 H SER 42 14.626 12.343 -0.625
314 HA SER 42 HA SER 42 12.133 11.550 0.296
315 HB2 SER 42 1HB SER 42 12.652 12.563 -1.952
316 HB3 SER 42 2HB SER 42 13.217 10.975 -2.469
317 HG SER 42 HG SER 42 10.665 11.912 -2.166
318 H SER 43 H SER 43 11.020 9.484 -0.676
319 HA SER 43 HA SER 43 12.363 7.238 0.548
320 HB2 SER 43 1HB SER 43 9.941 7.626 0.893
321 HB3 SER 43 2HB SER 43 9.668 7.360 -0.828
322 HG SER 43 HG SER 43 10.935 5.269 -0.202
323 H GLY 44 H GLY 44 13.835 8.036 -1.606
324 HA2 GLY 44 1HA GLY 44 14.587 7.434 -3.723
325 HA3 GLY 44 2HA GLY 44 14.519 5.843 -2.980
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -0.412 -34.056 -8.583
2 HA2 GLY 1 1HA GLY 1 -3.324 -33.647 -8.554
3 HA3 GLY 1 2HA GLY 1 -2.392 -33.251 -7.117
4 H SER 2 H SER 2 -4.005 -31.643 -9.135
5 HA SER 2 HA SER 2 -1.920 -29.628 -9.664
6 HB2 SER 2 1HB SER 2 -2.880 -30.812 -11.721
7 HB3 SER 2 2HB SER 2 -4.386 -29.965 -11.369
8 HG SER 2 HG SER 2 -3.540 -28.328 -12.355
9 H SER 3 H SER 3 -2.210 -27.907 -8.427
10 HA SER 3 HA SER 3 -4.936 -26.911 -7.993
11 HB2 SER 3 1HB SER 3 -4.523 -26.520 -5.640
12 HB3 SER 3 2HB SER 3 -4.204 -28.219 -5.990
13 HG SER 3 HG SER 3 -1.934 -27.490 -6.238
14 H GLY 4 H GLY 4 -5.129 -24.788 -8.340
15 HA2 GLY 4 1HA GLY 4 -2.764 -23.276 -9.056
16 HA3 GLY 4 2HA GLY 4 -4.432 -22.741 -9.203
17 H SER 5 H SER 5 -2.841 -20.859 -8.353
18 HA SER 5 HA SER 5 -2.524 -20.864 -5.486
19 HB2 SER 5 1HB SER 5 -0.932 -19.703 -7.030
20 HB3 SER 5 2HB SER 5 -2.210 -18.550 -7.413
21 HG SER 5 HG SER 5 -2.077 -17.711 -5.428
22 H SER 6 H SER 6 -5.146 -21.342 -6.007
23 HA SER 6 HA SER 6 -7.304 -20.533 -5.853
24 HB2 SER 6 1HB SER 6 -7.648 -19.350 -3.687
25 HB3 SER 6 2HB SER 6 -6.643 -20.791 -3.531
26 HG SER 6 HG SER 6 -5.414 -19.379 -2.517
27 H GLY 7 H GLY 7 -5.971 -19.071 -7.799
28 HA2 GLY 7 1HA GLY 7 -6.628 -17.215 -9.059
29 HA3 GLY 7 2HA GLY 7 -7.444 -16.571 -7.642
30 H HIS 8 H HIS 8 -6.423 -14.554 -8.450
31 HA HIS 8 HA HIS 8 -3.682 -14.098 -8.517
32 HB2 HIS 8 1HB HIS 8 -5.958 -12.250 -7.792
33 HB3 HIS 8 2HB HIS 8 -4.298 -11.701 -8.000
34 HD1 HIS 8 HD1 HIS 8 -6.658 -13.841 -10.100
35 HD2 HIS 8 HD2 HIS 8 -4.010 -10.661 -10.465
36 HE1 HIS 8 HE1 HIS 8 -6.699 -13.208 -12.533
37 H THR 9 H THR 9 -2.198 -14.325 -6.994
38 HA THR 9 HA THR 9 -2.441 -15.063 -4.428
39 HB THR 9 HB THR 9 -0.297 -13.817 -3.929
40 HG1 THR 9 HG1 THR 9 0.538 -12.506 -5.438
41 HG21 THR 9 3HG2 THR 9 0.576 -15.719 -4.689
42 HG22 THR 9 1HG2 THR 9 0.600 -15.034 -6.313
43 HG23 THR 9 2HG2 THR 9 -0.800 -15.956 -5.765
44 H ARG 10 H ARG 10 -2.225 -11.639 -5.412
45 HA ARG 10 HA ARG 10 -3.267 -10.868 -2.784
46 HB2 ARG 10 1HB ARG 10 -2.523 -8.612 -3.336
47 HB3 ARG 10 2HB ARG 10 -1.208 -9.761 -3.540
48 HG2 ARG 10 1HG ARG 10 -1.844 -9.797 -6.007
49 HG3 ARG 10 2HG ARG 10 -2.812 -8.365 -5.652
50 HD2 ARG 10 1HD ARG 10 -0.949 -7.080 -5.130
51 HD3 ARG 10 2HD ARG 10 0.062 -8.494 -4.831
52 HE ARG 10 HE ARG 10 0.500 -8.638 -7.091
53 HH11 ARG 10 1HH1 ARG 10 -2.003 -6.291 -6.500
54 HH12 ARG 10 2HH1 ARG 10 -1.961 -5.649 -8.109
55 HH21 ARG 10 1HH2 ARG 10 0.564 -7.801 -9.212
56 HH22 ARG 10 2HH2 ARG 10 -0.501 -6.509 -9.651
57 H LYS 11 H LYS 11 -5.360 -10.471 -2.583
58 HA LYS 11 HA LYS 11 -6.873 -9.630 -4.967
59 HB2 LYS 11 1HB LYS 11 -7.540 -11.425 -2.678
60 HB3 LYS 11 2HB LYS 11 -8.839 -10.488 -3.405
61 HG2 LYS 11 1HG LYS 11 -8.562 -11.533 -5.496
62 HG3 LYS 11 2HG LYS 11 -7.005 -12.223 -5.031
63 HD2 LYS 11 1HD LYS 11 -8.063 -13.713 -3.476
64 HD3 LYS 11 2HD LYS 11 -9.626 -12.930 -3.718
65 HE2 LYS 11 1HE LYS 11 -9.889 -13.833 -5.843
66 HE3 LYS 11 2HE LYS 11 -8.164 -14.152 -6.027
67 HZ1 LYS 11 3HZ LYS 11 -10.197 -15.837 -4.981
68 HZ2 LYS 11 1HZ LYS 11 -8.956 -15.631 -3.849
69 HZ3 LYS 11 2HZ LYS 11 -8.602 -16.217 -5.396
70 H ARG 12 H ARG 12 -5.489 -8.336 -2.367
71 HA ARG 12 HA ARG 12 -7.658 -6.381 -1.968
72 HB2 ARG 12 1HB ARG 12 -5.654 -7.449 0.017
73 HB3 ARG 12 2HB ARG 12 -6.583 -5.983 0.299
74 HG2 ARG 12 1HG ARG 12 -8.641 -7.471 -0.154
75 HG3 ARG 12 2HG ARG 12 -7.532 -8.812 0.136
76 HD2 ARG 12 1HD ARG 12 -7.223 -8.254 2.349
77 HD3 ARG 12 2HD ARG 12 -7.636 -6.560 2.087
78 HE ARG 12 HE ARG 12 -9.974 -7.763 1.610
79 HH11 ARG 12 1HH1 ARG 12 -7.679 -8.138 4.201
80 HH12 ARG 12 2HH1 ARG 12 -8.878 -8.567 5.376
81 HH21 ARG 12 1HH2 ARG 12 -11.562 -8.327 3.148
82 HH22 ARG 12 2HH2 ARG 12 -11.086 -8.675 4.776
83 H TYR 13 H TYR 13 -6.885 -4.200 -1.346
84 HA TYR 13 HA TYR 13 -5.065 -3.191 -3.210
85 HB2 TYR 13 1HB TYR 13 -5.732 -1.797 -0.625
86 HB3 TYR 13 2HB TYR 13 -5.383 -1.080 -2.194
87 HD1 TYR 13 HD2 TYR 13 -7.913 -2.929 -0.242
88 HD2 TYR 13 HD1 TYR 13 -7.101 -0.764 -3.813
89 HE1 TYR 13 HE2 TYR 13 -10.323 -2.842 -0.730
90 HE2 TYR 13 HE1 TYR 13 -9.508 -0.669 -4.311
91 HH TYR 13 HH TYR 13 -11.626 -0.840 -3.197
92 H GLU 14 H GLU 14 -2.919 -3.008 -3.241
93 HA GLU 14 HA GLU 14 -1.442 -3.284 -0.713
94 HB2 GLU 14 1HB GLU 14 -1.535 -5.351 -2.358
95 HB3 GLU 14 2HB GLU 14 -0.300 -4.442 -3.217
96 HG2 GLU 14 1HG GLU 14 1.122 -4.444 -1.279
97 HG3 GLU 14 2HG GLU 14 -0.137 -5.211 -0.313
98 H CYS 15 H CYS 15 0.470 -2.125 -0.550
99 HA CYS 15 HA CYS 15 0.713 0.078 -2.446
100 HB2 CYS 15 1HB CYS 15 0.647 0.379 0.092
101 HB3 CYS 15 2HB CYS 15 2.280 -0.278 0.106
102 H SER 16 H SER 16 2.266 0.210 -3.928
103 HA SER 16 HA SER 16 4.212 -1.912 -4.141
104 HB2 SER 16 1HB SER 16 3.016 -1.012 -6.130
105 HB3 SER 16 2HB SER 16 3.847 0.526 -5.898
106 HG SER 16 HG SER 16 4.808 -1.033 -7.432
107 H LYS 17 H LYS 17 4.252 0.399 -2.074
108 HA LYS 17 HA LYS 17 7.027 1.254 -2.572
109 HB2 LYS 17 1HB LYS 17 4.739 2.570 -1.142
110 HB3 LYS 17 2HB LYS 17 6.398 3.006 -0.754
111 HG2 LYS 17 1HG LYS 17 5.944 4.573 -2.336
112 HG3 LYS 17 2HG LYS 17 6.575 3.288 -3.368
113 HD2 LYS 17 1HD LYS 17 4.349 2.582 -3.940
114 HD3 LYS 17 2HD LYS 17 3.647 3.707 -2.776
115 HE2 LYS 17 1HE LYS 17 4.879 5.520 -4.147
116 HE3 LYS 17 2HE LYS 17 4.978 4.282 -5.398
117 HZ1 LYS 17 3HZ LYS 17 2.615 5.655 -4.326
118 HZ2 LYS 17 1HZ LYS 17 2.441 4.080 -4.920
119 HZ3 LYS 17 2HZ LYS 17 3.020 5.306 -5.931
120 H CYS 18 H CYS 18 4.843 0.609 0.179
121 HA CYS 18 HA CYS 18 7.149 -0.402 1.686
122 HB2 CYS 18 1HB CYS 18 5.638 -0.209 3.664
123 HB3 CYS 18 2HB CYS 18 5.926 1.322 2.845
124 H GLN 19 H GLN 19 4.779 -1.566 -0.258
125 HA GLN 19 HA GLN 19 3.863 -3.615 -0.623
126 HB2 GLN 19 1HB GLN 19 6.328 -4.210 0.932
127 HB3 GLN 19 2HB GLN 19 5.162 -5.511 0.734
128 HG2 GLN 19 1HG GLN 19 5.318 -5.371 -1.651
129 HG3 GLN 19 2HG GLN 19 6.331 -3.932 -1.543
130 HE21 GLN 19 1HE2 GLN 19 6.762 -6.638 -2.722
131 HE22 GLN 19 2HE2 GLN 19 8.246 -7.191 -2.031
132 H ALA 20 H ALA 20 2.527 -2.100 1.231
133 HA ALA 20 HA ALA 20 1.800 -3.994 3.361
134 HB1 ALA 20 3HB ALA 20 2.325 -2.006 4.420
135 HB2 ALA 20 1HB ALA 20 1.624 -1.017 3.139
136 HB3 ALA 20 2HB ALA 20 0.573 -1.891 4.254
137 H THR 21 H THR 21 -0.517 -4.102 3.927
138 HA THR 21 HA THR 21 -2.182 -3.968 1.500
139 HB THR 21 HB THR 21 -3.556 -5.756 2.505
140 HG1 THR 21 HG1 THR 21 -2.859 -5.216 4.726
141 HG21 THR 21 3HG2 THR 21 -1.930 -7.583 2.242
142 HG22 THR 21 1HG2 THR 21 -0.613 -6.414 2.319
143 HG23 THR 21 2HG2 THR 21 -1.757 -6.368 0.976
144 H PHE 22 H PHE 22 -4.322 -3.246 1.660
145 HA PHE 22 HA PHE 22 -5.050 -1.925 4.185
146 HB2 PHE 22 1HB PHE 22 -5.304 -0.760 1.405
147 HB3 PHE 22 2HB PHE 22 -5.986 -0.039 2.860
148 HD1 PHE 22 HD1 PHE 22 -2.842 -0.925 1.149
149 HD2 PHE 22 HD2 PHE 22 -4.654 1.236 4.337
150 HE1 PHE 22 HE1 PHE 22 -0.722 0.260 1.546
151 HE2 PHE 22 HE2 PHE 22 -2.538 2.425 4.738
152 HZ PHE 22 HZ PHE 22 -0.569 1.939 3.342
153 H ASN 23 H ASN 23 -7.452 -1.168 4.018
154 HA ASN 23 HA ASN 23 -8.992 -3.428 2.927
155 HB2 ASN 23 1HB ASN 23 -10.478 -3.276 4.740
156 HB3 ASN 23 2HB ASN 23 -8.894 -3.030 5.470
157 HD21 ASN 23 1HD2 ASN 23 -11.867 -2.077 5.818
158 HD22 ASN 23 2HD2 ASN 23 -11.663 -0.411 6.227
159 H LEU 24 H LEU 24 -8.989 0.071 3.431
160 HA LEU 24 HA LEU 24 -11.180 0.306 1.480
161 HB2 LEU 24 1HB LEU 24 -10.241 2.141 3.669
162 HB3 LEU 24 2HB LEU 24 -11.356 2.658 2.406
163 HG LEU 24 HG LEU 24 -11.898 0.405 4.337
164 HD11 LEU 24 1HD1 LEU 24 -11.723 2.957 5.108
165 HD12 LEU 24 2HD1 LEU 24 -12.911 1.834 5.769
166 HD13 LEU 24 3HD1 LEU 24 -13.376 2.961 4.495
167 HD21 LEU 24 3HD2 LEU 24 -13.156 0.109 2.341
168 HD22 LEU 24 1HD2 LEU 24 -13.573 1.822 2.274
169 HD23 LEU 24 2HD2 LEU 24 -14.249 0.799 3.542
170 H ARG 25 H ARG 25 -11.006 1.736 -0.248
171 HA ARG 25 HA ARG 25 -8.475 1.980 -1.430
172 HB2 ARG 25 1HB ARG 25 -11.200 3.019 -2.022
173 HB3 ARG 25 2HB ARG 25 -9.844 3.786 -2.837
174 HG2 ARG 25 1HG ARG 25 -9.181 1.309 -3.387
175 HG3 ARG 25 2HG ARG 25 -10.897 1.018 -3.098
176 HD2 ARG 25 1HD ARG 25 -9.754 3.022 -5.042
177 HD3 ARG 25 2HD ARG 25 -10.422 1.447 -5.467
178 HE ARG 25 HE ARG 25 -12.212 3.197 -4.018
179 HH11 ARG 25 1HH1 ARG 25 -11.098 2.092 -7.125
180 HH12 ARG 25 2HH1 ARG 25 -12.537 2.578 -7.959
181 HH21 ARG 25 1HH2 ARG 25 -14.110 3.843 -5.105
182 HH22 ARG 25 2HH2 ARG 25 -14.249 3.575 -6.809
183 H LYS 26 H LYS 26 -10.576 4.564 -0.146
184 HA LYS 26 HA LYS 26 -8.896 6.708 -0.418
185 HB2 LYS 26 1HB LYS 26 -10.053 7.675 1.579
186 HB3 LYS 26 2HB LYS 26 -11.142 7.029 0.357
187 HG2 LYS 26 1HG LYS 26 -11.852 5.324 1.688
188 HG3 LYS 26 2HG LYS 26 -10.331 5.237 2.579
189 HD2 LYS 26 1HD LYS 26 -11.730 6.146 4.167
190 HD3 LYS 26 2HD LYS 26 -11.042 7.601 3.443
191 HE2 LYS 26 1HE LYS 26 -13.601 6.414 2.424
192 HE3 LYS 26 2HE LYS 26 -13.588 7.496 3.816
193 HZ1 LYS 26 3HZ LYS 26 -13.951 8.497 1.507
194 HZ2 LYS 26 1HZ LYS 26 -12.289 8.274 1.283
195 HZ3 LYS 26 2HZ LYS 26 -12.847 9.264 2.535
196 H HIS 27 H HIS 27 -8.820 4.209 2.054
197 HA HIS 27 HA HIS 27 -6.993 5.413 3.810
198 HB2 HIS 27 1HB HIS 27 -7.763 2.569 3.241
199 HB3 HIS 27 2HB HIS 27 -6.440 2.922 4.349
200 HD1 HIS 27 HD1 HIS 27 -7.866 1.903 6.289
201 HD2 HIS 27 HD2 HIS 27 -9.499 5.290 4.522
202 HE1 HIS 27 HE1 HIS 27 -9.671 2.677 7.860
203 H LEU 28 H LEU 28 -6.511 3.456 0.916
204 HA LEU 28 HA LEU 28 -3.698 3.194 1.195
205 HB2 LEU 28 1HB LEU 28 -4.797 1.631 -0.188
206 HB3 LEU 28 2HB LEU 28 -5.583 2.900 -1.125
207 HG LEU 28 HG LEU 28 -3.393 3.504 -2.090
208 HD11 LEU 28 1HD1 LEU 28 -2.111 2.576 -0.100
209 HD12 LEU 28 2HD1 LEU 28 -1.439 2.265 -1.700
210 HD13 LEU 28 3HD1 LEU 28 -2.314 0.992 -0.849
211 HD21 LEU 28 3HD2 LEU 28 -3.094 1.293 -3.357
212 HD22 LEU 28 1HD2 LEU 28 -4.661 2.098 -3.455
213 HD23 LEU 28 2HD2 LEU 28 -4.448 0.711 -2.387
214 H ILE 29 H ILE 29 -5.678 5.278 -0.915
215 HA ILE 29 HA ILE 29 -3.596 6.737 -2.048
216 HB ILE 29 HB ILE 29 -6.394 7.694 -1.430
217 HG12 ILE 29 1HG1 ILE 29 -6.518 7.182 -4.015
218 HG13 ILE 29 2HG1 ILE 29 -5.190 6.087 -3.648
219 HG21 ILE 29 1HG2 ILE 29 -5.106 8.820 -3.768
220 HG22 ILE 29 2HG2 ILE 29 -5.925 9.627 -2.432
221 HG23 ILE 29 3HG2 ILE 29 -4.224 9.184 -2.285
222 HD11 ILE 29 3HD1 ILE 29 -7.578 5.928 -1.916
223 HD12 ILE 29 1HD1 ILE 29 -7.735 5.342 -3.572
224 HD13 ILE 29 2HD1 ILE 29 -6.511 4.654 -2.505
225 H GLN 30 H GLN 30 -5.403 7.304 0.942
226 HA GLN 30 HA GLN 30 -4.185 9.791 1.552
227 HB2 GLN 30 1HB GLN 30 -6.346 8.691 2.510
228 HB3 GLN 30 2HB GLN 30 -5.247 7.938 3.658
229 HG2 GLN 30 1HG GLN 30 -5.797 9.788 4.841
230 HG3 GLN 30 2HG GLN 30 -4.418 10.428 3.950
231 HE21 GLN 30 1HE2 GLN 30 -5.811 12.364 4.750
232 HE22 GLN 30 2HE2 GLN 30 -6.910 12.997 3.576
233 H HIS 31 H HIS 31 -3.070 6.582 1.717
234 HA HIS 31 HA HIS 31 -1.080 7.159 3.770
235 HB2 HIS 31 1HB HIS 31 -1.806 5.003 4.121
236 HB3 HIS 31 2HB HIS 31 -2.067 4.697 2.406
237 HD1 HIS 31 HD1 HIS 31 0.506 4.481 5.081
238 HD2 HIS 31 HD2 HIS 31 0.217 3.833 0.987
239 HE1 HIS 31 HE1 HIS 31 2.587 3.216 4.452
240 H GLN 32 H GLN 32 -1.194 6.166 0.357
241 HA GLN 32 HA GLN 32 1.383 5.919 -0.342
242 HB2 GLN 32 1HB GLN 32 -0.834 7.363 -1.771
243 HB3 GLN 32 2HB GLN 32 0.760 7.196 -2.496
244 HG2 GLN 32 1HG GLN 32 0.560 4.744 -2.276
245 HG3 GLN 32 2HG GLN 32 -1.080 4.965 -1.666
246 HE21 GLN 32 1HE2 GLN 32 -2.685 5.040 -3.084
247 HE22 GLN 32 2HE2 GLN 32 -2.508 5.205 -4.794
248 H LYS 33 H LYS 33 -0.251 9.029 0.149
249 HA LYS 33 HA LYS 33 1.705 10.793 -0.588
250 HB2 LYS 33 1HB LYS 33 0.703 12.393 0.877
251 HB3 LYS 33 2HB LYS 33 -0.586 11.358 0.277
252 HG2 LYS 33 1HG LYS 33 -0.606 10.123 2.360
253 HG3 LYS 33 2HG LYS 33 0.749 11.082 2.963
254 HD2 LYS 33 1HD LYS 33 -1.214 12.004 3.925
255 HD3 LYS 33 2HD LYS 33 -0.708 13.119 2.653
256 HE2 LYS 33 1HE LYS 33 -2.332 11.838 1.145
257 HE3 LYS 33 2HE LYS 33 -2.980 11.153 2.635
258 HZ1 LYS 33 3HZ LYS 33 -4.277 12.953 2.638
259 HZ2 LYS 33 1HZ LYS 33 -3.309 13.792 1.533
260 HZ3 LYS 33 2HZ LYS 33 -2.912 13.795 3.177
261 H THR 34 H THR 34 1.422 9.103 2.516
262 HA THR 34 HA THR 34 3.385 10.240 4.008
263 HB THR 34 HB THR 34 3.752 8.089 5.099
264 HG1 THR 34 HG1 THR 34 2.696 6.219 4.171
265 HG21 THR 34 3HG2 THR 34 1.346 7.477 5.531
266 HG22 THR 34 1HG2 THR 34 0.901 8.642 4.285
267 HG23 THR 34 2HG2 THR 34 1.734 9.184 5.742
268 H HIS 35 H HIS 35 3.803 8.297 1.152
269 HA HIS 35 HA HIS 35 6.646 7.943 1.557
270 HB2 HIS 35 1HB HIS 35 4.844 7.306 -0.786
271 HB3 HIS 35 2HB HIS 35 6.565 6.933 -0.734
272 HD1 HIS 35 HD1 HIS 35 7.210 5.375 1.490
273 HD2 HIS 35 HD2 HIS 35 3.310 5.255 0.062
274 HE1 HIS 35 HE1 HIS 35 6.223 3.252 2.408
275 H ALA 36 H ALA 36 5.365 10.661 1.305
276 HA ALA 36 HA ALA 36 6.129 11.809 -1.163
277 HB1 ALA 36 3HB ALA 36 4.510 12.912 0.227
278 HB2 ALA 36 1HB ALA 36 5.681 13.072 1.537
279 HB3 ALA 36 2HB ALA 36 5.908 13.971 0.036
280 H ALA 37 H ALA 37 7.780 11.482 1.946
281 HA ALA 37 HA ALA 37 10.161 12.782 0.856
282 HB1 ALA 37 3HB ALA 37 11.019 12.657 3.164
283 HB2 ALA 37 1HB ALA 37 9.475 13.504 3.057
284 HB3 ALA 37 2HB ALA 37 9.531 11.844 3.652
285 H LYS 38 H LYS 38 11.908 11.695 0.204
286 HA LYS 38 HA LYS 38 11.861 8.791 0.315
287 HB2 LYS 38 1HB LYS 38 13.679 10.742 -1.105
288 HB3 LYS 38 2HB LYS 38 13.875 8.996 -1.178
289 HG2 LYS 38 1HG LYS 38 11.337 10.375 -2.000
290 HG3 LYS 38 2HG LYS 38 12.673 10.079 -3.115
291 HD2 LYS 38 1HD LYS 38 11.361 7.902 -1.499
292 HD3 LYS 38 2HD LYS 38 10.829 8.352 -3.121
293 HE2 LYS 38 1HE LYS 38 13.215 7.954 -3.865
294 HE3 LYS 38 2HE LYS 38 13.492 7.226 -2.283
295 HZ1 LYS 38 3HZ LYS 38 12.719 5.828 -4.382
296 HZ2 LYS 38 1HZ LYS 38 11.193 6.257 -3.788
297 HZ3 LYS 38 2HZ LYS 38 12.278 5.411 -2.803
298 H SER 39 H SER 39 13.346 7.512 1.344
299 HA SER 39 HA SER 39 15.267 8.896 3.100
300 HB2 SER 39 1HB SER 39 14.934 6.947 4.676
301 HB3 SER 39 2HB SER 39 13.536 8.008 4.499
302 HG SER 39 HG SER 39 13.528 5.452 4.201
303 H GLY 40 H GLY 40 17.083 7.438 3.825
304 HA2 GLY 40 1HA GLY 40 17.847 5.594 1.646
305 HA3 GLY 40 2HA GLY 40 18.979 6.758 2.317
306 HA PRO 41 HA PRO 41 20.342 3.629 5.083
307 HB2 PRO 41 1HB PRO 41 21.456 5.194 7.001
308 HB3 PRO 41 2HB PRO 41 22.199 4.940 5.417
309 HG2 PRO 41 1HG PRO 41 20.557 7.246 6.391
310 HG3 PRO 41 2HG PRO 41 22.044 7.260 5.424
311 HD2 PRO 41 1HD PRO 41 19.590 7.587 4.328
312 HD3 PRO 41 2HD PRO 41 20.923 6.794 3.465
313 H SER 42 H SER 42 19.588 2.525 6.822
314 HA SER 42 HA SER 42 17.178 3.472 8.074
315 HB2 SER 42 1HB SER 42 17.903 1.020 7.388
316 HB3 SER 42 2HB SER 42 18.583 1.007 9.015
317 HG SER 42 HG SER 42 16.542 0.331 9.308
318 H SER 43 H SER 43 17.864 5.275 9.274
319 HA SER 43 HA SER 43 19.308 4.577 11.741
320 HB2 SER 43 1HB SER 43 19.731 6.920 9.910
321 HB3 SER 43 2HB SER 43 20.096 7.062 11.630
322 HG SER 43 HG SER 43 21.871 6.359 10.236
323 H GLY 44 H GLY 44 17.130 6.924 10.194
324 HA2 GLY 44 1HA GLY 44 15.145 7.801 11.005
325 HA3 GLY 44 2HA GLY 44 15.363 6.852 12.468
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 9.212 -29.223 -5.995
2 HA2 GLY 1 1HA GLY 1 11.327 -27.708 -5.353
3 HA3 GLY 1 2HA GLY 1 10.712 -26.857 -6.762
4 H SER 2 H SER 2 9.102 -25.430 -6.499
5 HA SER 2 HA SER 2 7.626 -25.472 -3.951
6 HB2 SER 2 1HB SER 2 7.753 -23.037 -3.840
7 HB3 SER 2 2HB SER 2 9.378 -23.720 -3.905
8 HG SER 2 HG SER 2 9.691 -22.777 -5.762
9 H SER 3 H SER 3 5.506 -25.568 -4.230
10 HA SER 3 HA SER 3 4.376 -25.101 -6.863
11 HB2 SER 3 1HB SER 3 2.296 -26.024 -5.861
12 HB3 SER 3 2HB SER 3 3.677 -27.105 -5.674
13 HG SER 3 HG SER 3 2.349 -25.557 -3.747
14 H GLY 4 H GLY 4 3.972 -23.035 -7.354
15 HA2 GLY 4 1HA GLY 4 3.089 -21.177 -5.291
16 HA3 GLY 4 2HA GLY 4 3.513 -20.771 -6.947
17 H SER 5 H SER 5 0.992 -21.348 -4.763
18 HA SER 5 HA SER 5 -0.975 -21.625 -6.928
19 HB2 SER 5 1HB SER 5 -0.945 -23.253 -4.954
20 HB3 SER 5 2HB SER 5 -1.540 -21.909 -3.978
21 HG SER 5 HG SER 5 -3.429 -22.475 -4.685
22 H SER 6 H SER 6 -3.117 -20.480 -6.419
23 HA SER 6 HA SER 6 -2.961 -18.034 -4.926
24 HB2 SER 6 1HB SER 6 -3.384 -16.577 -6.946
25 HB3 SER 6 2HB SER 6 -1.751 -17.234 -6.834
26 HG SER 6 HG SER 6 -3.562 -17.550 -8.786
27 H GLY 7 H GLY 7 -4.989 -16.757 -5.113
28 HA2 GLY 7 1HA GLY 7 -7.285 -17.030 -6.295
29 HA3 GLY 7 2HA GLY 7 -7.246 -18.598 -5.502
30 H HIS 8 H HIS 8 -6.175 -15.453 -4.269
31 HA HIS 8 HA HIS 8 -6.943 -15.614 -1.708
32 HB2 HIS 8 1HB HIS 8 -7.469 -13.164 -3.402
33 HB3 HIS 8 2HB HIS 8 -7.219 -13.200 -1.659
34 HD1 HIS 8 HD1 HIS 8 -5.307 -13.974 -4.848
35 HD2 HIS 8 HD2 HIS 8 -4.631 -12.864 -0.901
36 HE1 HIS 8 HE1 HIS 8 -2.836 -13.536 -4.686
37 H THR 9 H THR 9 -8.767 -15.362 -0.452
38 HA THR 9 HA THR 9 -11.295 -15.823 -1.844
39 HB THR 9 HB THR 9 -12.175 -16.337 0.449
40 HG1 THR 9 HG1 THR 9 -10.588 -15.131 1.623
41 HG21 THR 9 3HG2 THR 9 -11.611 -18.480 0.116
42 HG22 THR 9 1HG2 THR 9 -9.893 -18.147 0.324
43 HG23 THR 9 2HG2 THR 9 -10.656 -17.895 -1.246
44 H ARG 10 H ARG 10 -9.601 -13.235 -0.674
45 HA ARG 10 HA ARG 10 -12.049 -11.639 -0.469
46 HB2 ARG 10 1HB ARG 10 -9.885 -11.872 1.584
47 HB3 ARG 10 2HB ARG 10 -10.710 -10.333 1.378
48 HG2 ARG 10 1HG ARG 10 -12.119 -12.936 1.916
49 HG3 ARG 10 2HG ARG 10 -11.650 -11.783 3.167
50 HD2 ARG 10 1HD ARG 10 -12.949 -10.107 1.574
51 HD3 ARG 10 2HD ARG 10 -13.770 -11.592 1.094
52 HE ARG 10 HE ARG 10 -13.689 -11.402 3.908
53 HH11 ARG 10 1HH1 ARG 10 -15.251 -10.000 1.131
54 HH12 ARG 10 2HH1 ARG 10 -16.689 -9.569 1.995
55 HH21 ARG 10 1HH2 ARG 10 -15.577 -10.839 5.057
56 HH22 ARG 10 2HH2 ARG 10 -16.874 -10.046 4.228
57 H LYS 11 H LYS 11 -11.604 -9.285 -0.667
58 HA LYS 11 HA LYS 11 -9.437 -8.857 -2.600
59 HB2 LYS 11 1HB LYS 11 -12.108 -7.586 -2.155
60 HB3 LYS 11 2HB LYS 11 -10.838 -6.651 -2.933
61 HG2 LYS 11 1HG LYS 11 -11.816 -7.546 -4.773
62 HG3 LYS 11 2HG LYS 11 -10.653 -8.827 -4.426
63 HD2 LYS 11 1HD LYS 11 -12.263 -10.269 -3.662
64 HD3 LYS 11 2HD LYS 11 -13.337 -8.967 -3.145
65 HE2 LYS 11 1HE LYS 11 -13.714 -8.453 -5.574
66 HE3 LYS 11 2HE LYS 11 -12.828 -9.928 -5.956
67 HZ1 LYS 11 3HZ LYS 11 -14.527 -11.017 -4.375
68 HZ2 LYS 11 1HZ LYS 11 -15.007 -10.629 -5.950
69 HZ3 LYS 11 2HZ LYS 11 -15.455 -9.631 -4.660
70 H ARG 12 H ARG 12 -7.988 -7.163 -2.397
71 HA ARG 12 HA ARG 12 -8.145 -5.227 -0.312
72 HB2 ARG 12 1HB ARG 12 -6.285 -5.960 1.049
73 HB3 ARG 12 2HB ARG 12 -7.504 -7.226 1.004
74 HG2 ARG 12 1HG ARG 12 -6.073 -8.180 -0.939
75 HG3 ARG 12 2HG ARG 12 -4.805 -7.155 -0.264
76 HD2 ARG 12 1HD ARG 12 -5.331 -8.248 1.972
77 HD3 ARG 12 2HD ARG 12 -6.272 -9.424 1.054
78 HE ARG 12 HE ARG 12 -3.661 -9.188 -0.014
79 HH11 ARG 12 1HH1 ARG 12 -5.414 -10.518 2.684
80 HH12 ARG 12 2HH1 ARG 12 -4.275 -11.793 2.963
81 HH21 ARG 12 1HH2 ARG 12 -2.155 -10.863 0.343
82 HH22 ARG 12 2HH2 ARG 12 -2.421 -11.988 1.631
83 H TYR 13 H TYR 13 -6.466 -3.668 -0.421
84 HA TYR 13 HA TYR 13 -5.070 -3.691 -2.997
85 HB2 TYR 13 1HB TYR 13 -5.507 -1.384 -1.090
86 HB3 TYR 13 2HB TYR 13 -4.861 -1.282 -2.724
87 HD1 TYR 13 HD2 TYR 13 -7.906 -2.356 -0.859
88 HD2 TYR 13 HD1 TYR 13 -6.298 -0.855 -4.501
89 HE1 TYR 13 HE2 TYR 13 -10.185 -2.052 -1.734
90 HE2 TYR 13 HE1 TYR 13 -8.572 -0.546 -5.385
91 HH TYR 13 HH TYR 13 -11.234 -0.419 -3.605
92 H GLU 14 H GLU 14 -2.881 -3.492 -3.184
93 HA GLU 14 HA GLU 14 -1.334 -3.496 -0.676
94 HB2 GLU 14 1HB GLU 14 -1.176 -5.266 -3.064
95 HB3 GLU 14 2HB GLU 14 0.334 -4.826 -2.279
96 HG2 GLU 14 1HG GLU 14 -0.495 -5.712 -0.166
97 HG3 GLU 14 2HG GLU 14 -2.020 -6.140 -0.939
98 H CYS 15 H CYS 15 0.262 -2.045 -0.515
99 HA CYS 15 HA CYS 15 0.528 0.051 -2.356
100 HB2 CYS 15 1HB CYS 15 1.198 -0.158 0.188
101 HB3 CYS 15 2HB CYS 15 2.763 -0.609 -0.481
102 H SER 16 H SER 16 2.642 0.709 -3.370
103 HA SER 16 HA SER 16 3.755 -1.603 -4.800
104 HB2 SER 16 1HB SER 16 2.611 0.423 -5.982
105 HB3 SER 16 2HB SER 16 4.139 1.247 -5.669
106 HG SER 16 HG SER 16 3.587 -0.921 -7.348
107 H LYS 17 H LYS 17 4.505 0.636 -2.408
108 HA LYS 17 HA LYS 17 7.396 0.344 -2.876
109 HB2 LYS 17 1HB LYS 17 5.769 2.444 -1.476
110 HB3 LYS 17 2HB LYS 17 7.472 2.232 -1.091
111 HG2 LYS 17 1HG LYS 17 8.138 2.797 -3.286
112 HG3 LYS 17 2HG LYS 17 6.485 2.679 -3.893
113 HD2 LYS 17 1HD LYS 17 6.053 4.548 -2.082
114 HD3 LYS 17 2HD LYS 17 7.781 4.837 -2.300
115 HE2 LYS 17 1HE LYS 17 7.318 4.945 -4.782
116 HE3 LYS 17 2HE LYS 17 5.602 4.962 -4.374
117 HZ1 LYS 17 3HZ LYS 17 6.408 7.197 -4.678
118 HZ2 LYS 17 1HZ LYS 17 7.625 6.964 -3.526
119 HZ3 LYS 17 2HZ LYS 17 6.002 6.968 -3.051
120 H CYS 18 H CYS 18 5.229 0.734 -0.066
121 HA CYS 18 HA CYS 18 6.979 -0.973 1.511
122 HB2 CYS 18 1HB CYS 18 5.667 -0.276 3.415
123 HB3 CYS 18 2HB CYS 18 6.057 1.144 2.450
124 H GLN 19 H GLN 19 4.788 -1.674 -0.685
125 HA GLN 19 HA GLN 19 3.135 -3.254 -0.982
126 HB2 GLN 19 1HB GLN 19 3.953 -5.509 -0.504
127 HB3 GLN 19 2HB GLN 19 5.228 -4.508 -1.187
128 HG2 GLN 19 1HG GLN 19 4.982 -4.738 1.772
129 HG3 GLN 19 2HG GLN 19 5.702 -6.059 0.853
130 HE21 GLN 19 1HE2 GLN 19 7.256 -5.068 -0.937
131 HE22 GLN 19 2HE2 GLN 19 8.439 -3.984 -0.296
132 H ALA 20 H ALA 20 2.457 -1.662 1.192
133 HA ALA 20 HA ALA 20 1.719 -3.364 3.410
134 HB1 ALA 20 3HB ALA 20 1.314 -0.454 2.797
135 HB2 ALA 20 1HB ALA 20 0.533 -1.233 4.174
136 HB3 ALA 20 2HB ALA 20 2.294 -1.192 4.065
137 H THR 21 H THR 21 -0.463 -3.694 4.113
138 HA THR 21 HA THR 21 -2.342 -3.866 1.860
139 HB THR 21 HB THR 21 -3.560 -5.528 3.269
140 HG1 THR 21 HG1 THR 21 -2.659 -4.770 5.299
141 HG21 THR 21 3HG2 THR 21 -0.711 -5.968 2.446
142 HG22 THR 21 1HG2 THR 21 -2.192 -6.528 1.670
143 HG23 THR 21 2HG2 THR 21 -1.648 -7.273 3.173
144 H PHE 22 H PHE 22 -4.447 -3.125 2.037
145 HA PHE 22 HA PHE 22 -5.170 -1.673 4.479
146 HB2 PHE 22 1HB PHE 22 -5.243 -0.549 1.674
147 HB3 PHE 22 2HB PHE 22 -6.058 0.193 3.047
148 HD1 PHE 22 HD2 PHE 22 -4.727 1.106 4.924
149 HD2 PHE 22 HD1 PHE 22 -2.913 -0.305 1.341
150 HE1 PHE 22 HE2 PHE 22 -2.662 2.314 5.497
151 HE2 PHE 22 HE1 PHE 22 -0.845 0.901 1.909
152 HZ PHE 22 HZ PHE 22 -0.718 2.214 3.989
153 H ASN 23 H ASN 23 -7.482 -1.165 4.606
154 HA ASN 23 HA ASN 23 -9.052 -3.343 3.467
155 HB2 ASN 23 1HB ASN 23 -9.893 -1.292 5.526
156 HB3 ASN 23 2HB ASN 23 -10.719 -2.797 5.131
157 HD21 ASN 23 1HD2 ASN 23 -7.706 -1.487 6.410
158 HD22 ASN 23 2HD2 ASN 23 -7.349 -2.829 7.437
159 H LEU 24 H LEU 24 -9.189 0.199 3.742
160 HA LEU 24 HA LEU 24 -11.200 0.235 1.599
161 HB2 LEU 24 1HB LEU 24 -10.520 2.084 3.833
162 HB3 LEU 24 2HB LEU 24 -11.242 2.751 2.370
163 HG LEU 24 HG LEU 24 -12.503 0.543 3.988
164 HD11 LEU 24 1HD1 LEU 24 -14.027 2.355 4.798
165 HD12 LEU 24 2HD1 LEU 24 -12.877 3.526 4.152
166 HD13 LEU 24 3HD1 LEU 24 -12.386 2.426 5.440
167 HD21 LEU 24 3HD2 LEU 24 -13.132 0.838 1.570
168 HD22 LEU 24 1HD2 LEU 24 -13.744 2.435 2.002
169 HD23 LEU 24 2HD2 LEU 24 -14.459 0.992 2.721
170 H ARG 25 H ARG 25 -10.615 0.830 -0.377
171 HA ARG 25 HA ARG 25 -8.106 1.253 -1.297
172 HB2 ARG 25 1HB ARG 25 -10.073 0.966 -2.748
173 HB3 ARG 25 2HB ARG 25 -10.595 2.600 -2.361
174 HG2 ARG 25 1HG ARG 25 -8.871 3.574 -3.581
175 HG3 ARG 25 2HG ARG 25 -7.913 2.092 -3.587
176 HD2 ARG 25 1HD ARG 25 -8.808 2.340 -5.771
177 HD3 ARG 25 2HD ARG 25 -9.723 1.052 -4.987
178 HE ARG 25 HE ARG 25 -11.603 2.354 -5.117
179 HH11 ARG 25 1HH1 ARG 25 -8.797 4.330 -5.702
180 HH12 ARG 25 2HH1 ARG 25 -9.715 5.720 -6.180
181 HH21 ARG 25 1HH2 ARG 25 -12.822 4.177 -5.744
182 HH22 ARG 25 2HH2 ARG 25 -12.004 5.632 -6.202
183 H LYS 26 H LYS 26 -10.308 3.752 -0.095
184 HA LYS 26 HA LYS 26 -8.846 6.020 -0.687
185 HB2 LYS 26 1HB LYS 26 -11.043 6.259 0.205
186 HB3 LYS 26 2HB LYS 26 -10.617 5.381 1.669
187 HG2 LYS 26 1HG LYS 26 -8.924 7.323 2.020
188 HG3 LYS 26 2HG LYS 26 -9.965 8.185 0.885
189 HD2 LYS 26 1HD LYS 26 -10.995 6.813 3.362
190 HD3 LYS 26 2HD LYS 26 -10.509 8.509 3.325
191 HE2 LYS 26 1HE LYS 26 -12.142 8.589 1.265
192 HE3 LYS 26 2HE LYS 26 -12.837 7.164 2.036
193 HZ1 LYS 26 3HZ LYS 26 -14.036 8.842 3.000
194 HZ2 LYS 26 1HZ LYS 26 -12.746 9.937 2.999
195 HZ3 LYS 26 2HZ LYS 26 -12.787 8.680 4.130
196 H HIS 27 H HIS 27 -8.486 3.799 2.037
197 HA HIS 27 HA HIS 27 -6.663 5.226 3.568
198 HB2 HIS 27 1HB HIS 27 -6.983 2.255 3.145
199 HB3 HIS 27 2HB HIS 27 -5.867 2.936 4.325
200 HD1 HIS 27 HD1 HIS 27 -7.183 1.884 6.284
201 HD2 HIS 27 HD2 HIS 27 -9.395 4.546 3.987
202 HE1 HIS 27 HE1 HIS 27 -9.263 2.354 7.617
203 H LEU 28 H LEU 28 -6.207 3.497 0.586
204 HA LEU 28 HA LEU 28 -3.346 3.390 0.749
205 HB2 LEU 28 1HB LEU 28 -4.455 1.747 -0.574
206 HB3 LEU 28 2HB LEU 28 -5.290 2.983 -1.513
207 HG LEU 28 HG LEU 28 -3.124 3.656 -2.493
208 HD11 LEU 28 1HD1 LEU 28 -1.132 2.488 -2.109
209 HD12 LEU 28 2HD1 LEU 28 -1.958 1.173 -1.274
210 HD13 LEU 28 3HD1 LEU 28 -1.810 2.752 -0.502
211 HD21 LEU 28 3HD2 LEU 28 -3.743 0.721 -2.809
212 HD22 LEU 28 1HD2 LEU 28 -2.893 1.747 -3.965
213 HD23 LEU 28 2HD2 LEU 28 -4.598 2.036 -3.617
214 H ILE 29 H ILE 29 -5.582 5.246 -1.324
215 HA ILE 29 HA ILE 29 -3.767 6.887 -2.575
216 HB ILE 29 HB ILE 29 -6.543 7.616 -1.636
217 HG12 ILE 29 1HG1 ILE 29 -6.904 7.220 -4.206
218 HG13 ILE 29 2HG1 ILE 29 -5.434 6.260 -4.068
219 HG21 ILE 29 1HG2 ILE 29 -4.498 9.185 -2.940
220 HG22 ILE 29 2HG2 ILE 29 -5.945 9.054 -3.938
221 HG23 ILE 29 3HG2 ILE 29 -6.061 9.685 -2.295
222 HD11 ILE 29 3HD1 ILE 29 -6.507 4.575 -3.094
223 HD12 ILE 29 1HD1 ILE 29 -7.392 5.646 -2.008
224 HD13 ILE 29 2HD1 ILE 29 -7.984 5.365 -3.646
225 H GLN 30 H GLN 30 -5.361 7.432 0.554
226 HA GLN 30 HA GLN 30 -4.053 9.916 1.041
227 HB2 GLN 30 1HB GLN 30 -6.144 9.486 2.135
228 HB3 GLN 30 2HB GLN 30 -5.525 8.008 2.858
229 HG2 GLN 30 1HG GLN 30 -5.465 9.494 4.616
230 HG3 GLN 30 2HG GLN 30 -3.813 9.558 4.005
231 HE21 GLN 30 1HE2 GLN 30 -5.704 11.482 5.437
232 HE22 GLN 30 2HE2 GLN 30 -5.551 12.947 4.534
233 H HIS 31 H HIS 31 -3.310 6.572 1.715
234 HA HIS 31 HA HIS 31 -1.316 6.979 3.668
235 HB2 HIS 31 1HB HIS 31 -2.019 4.776 3.571
236 HB3 HIS 31 2HB HIS 31 -2.030 4.747 1.810
237 HD1 HIS 31 HD1 HIS 31 0.608 5.060 4.545
238 HD2 HIS 31 HD2 HIS 31 0.026 3.313 0.821
239 HE1 HIS 31 HE1 HIS 31 2.707 3.757 4.079
240 H GLN 32 H GLN 32 -1.099 6.559 0.144
241 HA GLN 32 HA GLN 32 1.560 6.536 -0.310
242 HB2 GLN 32 1HB GLN 32 -0.560 8.096 -1.783
243 HB3 GLN 32 2HB GLN 32 1.089 7.936 -2.372
244 HG2 GLN 32 1HG GLN 32 0.762 5.444 -2.282
245 HG3 GLN 32 2HG GLN 32 -0.946 5.763 -1.981
246 HE21 GLN 32 1HE2 GLN 32 -1.027 4.438 -4.006
247 HE22 GLN 32 2HE2 GLN 32 -0.980 5.291 -5.508
248 H LYS 33 H LYS 33 -0.253 9.168 1.014
249 HA LYS 33 HA LYS 33 1.385 11.341 0.488
250 HB2 LYS 33 1HB LYS 33 -0.130 10.766 3.041
251 HB3 LYS 33 2HB LYS 33 0.459 12.342 2.531
252 HG2 LYS 33 1HG LYS 33 -1.419 10.789 0.799
253 HG3 LYS 33 2HG LYS 33 -2.019 11.744 2.157
254 HD2 LYS 33 1HD LYS 33 -2.130 13.323 0.513
255 HD3 LYS 33 2HD LYS 33 -0.474 13.596 1.059
256 HE2 LYS 33 1HE LYS 33 0.445 12.600 -0.800
257 HE3 LYS 33 2HE LYS 33 -0.977 11.602 -1.100
258 HZ1 LYS 33 3HZ LYS 33 -0.317 14.095 -2.221
259 HZ2 LYS 33 1HZ LYS 33 -1.759 14.261 -1.351
260 HZ3 LYS 33 2HZ LYS 33 -1.637 13.096 -2.572
261 H THR 34 H THR 34 1.542 9.106 3.256
262 HA THR 34 HA THR 34 3.650 10.172 4.642
263 HB THR 34 HB THR 34 2.331 8.163 5.333
264 HG1 THR 34 HG1 THR 34 3.947 8.123 6.694
265 HG21 THR 34 3HG2 THR 34 4.266 6.433 3.871
266 HG22 THR 34 1HG2 THR 34 2.877 7.069 2.991
267 HG23 THR 34 2HG2 THR 34 2.632 6.076 4.428
268 H HIS 35 H HIS 35 3.760 8.208 1.721
269 HA HIS 35 HA HIS 35 6.590 7.875 1.712
270 HB2 HIS 35 1HB HIS 35 4.503 7.575 -0.450
271 HB3 HIS 35 2HB HIS 35 6.209 7.219 -0.701
272 HD1 HIS 35 HD1 HIS 35 6.933 5.628 1.738
273 HD2 HIS 35 HD2 HIS 35 3.318 5.154 -0.255
274 HE1 HIS 35 HE1 HIS 35 6.130 3.322 2.341
275 H ALA 36 H ALA 36 4.374 10.239 0.357
276 HA ALA 36 HA ALA 36 6.296 11.549 -1.287
277 HB1 ALA 36 3HB ALA 36 3.499 11.926 -0.555
278 HB2 ALA 36 1HB ALA 36 4.375 13.440 -0.784
279 HB3 ALA 36 2HB ALA 36 4.326 12.244 -2.080
280 H ALA 37 H ALA 37 8.079 11.803 0.170
281 HA ALA 37 HA ALA 37 7.748 14.107 1.978
282 HB1 ALA 37 3HB ALA 37 9.913 12.227 2.632
283 HB2 ALA 37 1HB ALA 37 8.790 13.084 3.689
284 HB3 ALA 37 2HB ALA 37 8.278 11.610 2.867
285 H LYS 38 H LYS 38 8.989 15.789 1.488
286 HA LYS 38 HA LYS 38 10.902 15.629 -0.642
287 HB2 LYS 38 1HB LYS 38 9.800 17.808 1.082
288 HB3 LYS 38 2HB LYS 38 11.288 18.105 0.192
289 HG2 LYS 38 1HG LYS 38 8.892 17.022 -1.224
290 HG3 LYS 38 2HG LYS 38 9.010 18.745 -0.859
291 HD2 LYS 38 1HD LYS 38 11.216 17.253 -2.253
292 HD3 LYS 38 2HD LYS 38 9.867 17.970 -3.136
293 HE2 LYS 38 1HE LYS 38 11.560 19.545 -1.214
294 HE3 LYS 38 2HE LYS 38 11.981 19.370 -2.917
295 HZ1 LYS 38 3HZ LYS 38 10.056 21.079 -1.708
296 HZ2 LYS 38 1HZ LYS 38 9.338 20.114 -2.898
297 HZ3 LYS 38 2HZ LYS 38 10.659 21.095 -3.289
298 H SER 39 H SER 39 12.603 14.343 0.009
299 HA SER 39 HA SER 39 14.513 15.625 1.777
300 HB2 SER 39 1HB SER 39 14.864 13.596 3.141
301 HB3 SER 39 2HB SER 39 13.232 14.235 3.337
302 HG SER 39 HG SER 39 14.042 12.020 1.763
303 H GLY 40 H GLY 40 16.651 14.954 1.442
304 HA2 GLY 40 1HA GLY 40 17.012 13.240 -0.939
305 HA3 GLY 40 2HA GLY 40 18.023 14.631 -0.577
306 HA PRO 41 HA PRO 41 20.885 12.125 1.589
307 HB2 PRO 41 1HB PRO 41 21.572 13.669 3.714
308 HB3 PRO 41 2HB PRO 41 22.078 14.031 2.060
309 HG2 PRO 41 1HG PRO 41 19.831 15.202 3.654
310 HG3 PRO 41 2HG PRO 41 20.999 16.019 2.599
311 HD2 PRO 41 1HD PRO 41 18.478 15.436 1.803
312 HD3 PRO 41 2HD PRO 41 19.854 15.454 0.681
313 H SER 42 H SER 42 21.474 11.391 3.944
314 HA SER 42 HA SER 42 20.749 9.819 5.477
315 HB2 SER 42 1HB SER 42 19.692 10.893 7.381
316 HB3 SER 42 2HB SER 42 20.876 11.997 6.682
317 HG SER 42 HG SER 42 18.265 12.163 5.732
318 H SER 43 H SER 43 19.297 9.449 3.155
319 HA SER 43 HA SER 43 16.931 8.204 4.194
320 HB2 SER 43 1HB SER 43 16.737 10.681 2.516
321 HB3 SER 43 2HB SER 43 15.511 9.424 2.355
322 HG SER 43 HG SER 43 16.185 10.235 4.934
323 H GLY 44 H GLY 44 16.626 6.359 3.124
324 HA2 GLY 44 1HA GLY 44 17.200 6.192 0.275
325 HA3 GLY 44 2HA GLY 44 18.204 5.195 1.318
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 4.409 -24.764 -13.555
2 HA2 GLY 1 1HA GLY 1 4.352 -23.159 -11.829
3 HA3 GLY 1 2HA GLY 1 2.967 -22.407 -12.606
4 H SER 2 H SER 2 3.987 -25.228 -10.734
5 HA SER 2 HA SER 2 1.217 -25.475 -9.757
6 HB2 SER 2 1HB SER 2 1.769 -27.858 -9.278
7 HB3 SER 2 2HB SER 2 1.862 -27.462 -10.994
8 HG SER 2 HG SER 2 3.684 -28.622 -10.460
9 H SER 3 H SER 3 1.734 -23.846 -8.164
10 HA SER 3 HA SER 3 2.495 -24.962 -5.676
11 HB2 SER 3 1HB SER 3 4.511 -23.647 -5.230
12 HB3 SER 3 2HB SER 3 4.760 -24.695 -6.626
13 HG SER 3 HG SER 3 3.797 -22.130 -7.116
14 H GLY 4 H GLY 4 2.284 -23.439 -3.905
15 HA2 GLY 4 1HA GLY 4 1.554 -21.456 -2.915
16 HA3 GLY 4 2HA GLY 4 1.286 -20.783 -4.516
17 H SER 5 H SER 5 -0.065 -22.751 -1.960
18 HA SER 5 HA SER 5 -2.598 -23.058 -3.340
19 HB2 SER 5 1HB SER 5 -3.283 -24.194 -1.192
20 HB3 SER 5 2HB SER 5 -1.909 -24.934 -2.014
21 HG SER 5 HG SER 5 -1.476 -24.719 0.193
22 H SER 6 H SER 6 -2.179 -20.435 -3.195
23 HA SER 6 HA SER 6 -3.987 -19.545 -1.046
24 HB2 SER 6 1HB SER 6 -1.488 -18.816 -0.931
25 HB3 SER 6 2HB SER 6 -1.923 -17.715 -2.238
26 HG SER 6 HG SER 6 -3.605 -17.771 -0.024
27 H GLY 7 H GLY 7 -2.830 -19.001 -4.344
28 HA2 GLY 7 1HA GLY 7 -3.919 -18.208 -6.205
29 HA3 GLY 7 2HA GLY 7 -5.425 -18.483 -5.343
30 H HIS 8 H HIS 8 -3.257 -16.167 -6.531
31 HA HIS 8 HA HIS 8 -3.442 -13.968 -4.955
32 HB2 HIS 8 1HB HIS 8 -2.258 -13.981 -7.099
33 HB3 HIS 8 2HB HIS 8 -3.794 -14.021 -7.960
34 HD1 HIS 8 HD1 HIS 8 -3.441 -11.789 -9.143
35 HD2 HIS 8 HD2 HIS 8 -3.234 -11.516 -5.002
36 HE1 HIS 8 HE1 HIS 8 -3.469 -9.327 -8.629
37 H THR 9 H THR 9 -5.205 -13.438 -3.807
38 HA THR 9 HA THR 9 -7.806 -13.327 -5.159
39 HB THR 9 HB THR 9 -7.894 -14.589 -3.126
40 HG1 THR 9 HG1 THR 9 -8.931 -12.068 -2.357
41 HG21 THR 9 3HG2 THR 9 -7.359 -12.680 -1.104
42 HG22 THR 9 1HG2 THR 9 -5.989 -12.668 -2.214
43 HG23 THR 9 2HG2 THR 9 -6.490 -14.176 -1.448
44 H ARG 10 H ARG 10 -8.550 -11.438 -5.844
45 HA ARG 10 HA ARG 10 -7.290 -8.975 -4.944
46 HB2 ARG 10 1HB ARG 10 -9.279 -9.567 -7.137
47 HB3 ARG 10 2HB ARG 10 -8.723 -7.945 -6.747
48 HG2 ARG 10 1HG ARG 10 -6.820 -10.155 -7.452
49 HG3 ARG 10 2HG ARG 10 -7.580 -9.134 -8.675
50 HD2 ARG 10 1HD ARG 10 -5.870 -8.176 -6.381
51 HD3 ARG 10 2HD ARG 10 -5.361 -8.305 -8.064
52 HE ARG 10 HE ARG 10 -7.050 -6.264 -6.901
53 HH11 ARG 10 1HH1 ARG 10 -5.921 -7.806 -9.811
54 HH12 ARG 10 2HH1 ARG 10 -6.306 -6.459 -10.830
55 HH21 ARG 10 1HH2 ARG 10 -7.562 -4.484 -8.232
56 HH22 ARG 10 2HH2 ARG 10 -7.238 -4.570 -9.931
57 H LYS 11 H LYS 11 -8.214 -9.152 -2.774
58 HA LYS 11 HA LYS 11 -10.975 -8.123 -2.699
59 HB2 LYS 11 1HB LYS 11 -10.812 -10.457 -1.854
60 HB3 LYS 11 2HB LYS 11 -9.673 -9.905 -0.632
61 HG2 LYS 11 1HG LYS 11 -11.322 -8.641 0.480
62 HG3 LYS 11 2HG LYS 11 -12.447 -8.781 -0.873
63 HD2 LYS 11 1HD LYS 11 -11.471 -11.239 0.527
64 HD3 LYS 11 2HD LYS 11 -12.769 -10.274 1.236
65 HE2 LYS 11 1HE LYS 11 -12.809 -11.341 -1.583
66 HE3 LYS 11 2HE LYS 11 -13.534 -12.173 -0.207
67 HZ1 LYS 11 3HZ LYS 11 -14.411 -9.495 -0.263
68 HZ2 LYS 11 1HZ LYS 11 -15.326 -10.912 -0.397
69 HZ3 LYS 11 2HZ LYS 11 -14.674 -10.192 -1.781
70 H ARG 12 H ARG 12 -7.822 -7.374 -2.221
71 HA ARG 12 HA ARG 12 -8.518 -5.139 -0.489
72 HB2 ARG 12 1HB ARG 12 -6.503 -7.257 0.197
73 HB3 ARG 12 2HB ARG 12 -6.302 -5.612 0.783
74 HG2 ARG 12 1HG ARG 12 -8.149 -5.729 2.155
75 HG3 ARG 12 2HG ARG 12 -8.893 -7.025 1.215
76 HD2 ARG 12 1HD ARG 12 -6.319 -7.456 2.690
77 HD3 ARG 12 2HD ARG 12 -7.872 -7.592 3.513
78 HE ARG 12 HE ARG 12 -8.079 -9.165 1.266
79 HH11 ARG 12 1HH1 ARG 12 -6.027 -9.031 4.075
80 HH12 ARG 12 2HH1 ARG 12 -5.728 -10.737 4.099
81 HH21 ARG 12 1HH2 ARG 12 -7.692 -11.413 1.287
82 HH22 ARG 12 2HH2 ARG 12 -6.675 -12.091 2.512
83 H TYR 13 H TYR 13 -6.598 -3.603 -0.302
84 HA TYR 13 HA TYR 13 -5.311 -3.440 -2.939
85 HB2 TYR 13 1HB TYR 13 -5.656 -1.206 -0.936
86 HB3 TYR 13 2HB TYR 13 -5.193 -1.064 -2.628
87 HD1 TYR 13 HD1 TYR 13 -6.859 -1.300 -4.398
88 HD2 TYR 13 HD2 TYR 13 -7.965 -1.532 -0.297
89 HE1 TYR 13 HE1 TYR 13 -9.219 -1.003 -5.024
90 HE2 TYR 13 HE2 TYR 13 -10.328 -1.238 -0.911
91 HH TYR 13 HH TYR 13 -11.795 -1.156 -2.601
92 H GLU 14 H GLU 14 -3.125 -3.161 -3.148
93 HA GLU 14 HA GLU 14 -1.549 -3.430 -0.673
94 HB2 GLU 14 1HB GLU 14 -1.314 -4.711 -3.348
95 HB3 GLU 14 2HB GLU 14 0.178 -4.326 -2.501
96 HG2 GLU 14 1HG GLU 14 -0.214 -6.477 -1.812
97 HG3 GLU 14 2HG GLU 14 -0.940 -5.544 -0.504
98 H CYS 15 H CYS 15 0.480 -2.354 -0.568
99 HA CYS 15 HA CYS 15 0.539 0.093 -2.186
100 HB2 CYS 15 1HB CYS 15 0.470 0.260 0.320
101 HB3 CYS 15 2HB CYS 15 2.060 -0.496 0.359
102 H SER 16 H SER 16 1.959 0.250 -3.778
103 HA SER 16 HA SER 16 4.105 -1.683 -4.015
104 HB2 SER 16 1HB SER 16 3.131 0.519 -5.844
105 HB3 SER 16 2HB SER 16 4.495 -0.532 -6.225
106 HG SER 16 HG SER 16 2.858 -2.283 -5.760
107 H LYS 17 H LYS 17 4.350 0.150 -1.847
108 HA LYS 17 HA LYS 17 6.854 1.473 -2.630
109 HB2 LYS 17 1HB LYS 17 4.479 2.659 -1.286
110 HB3 LYS 17 2HB LYS 17 6.065 3.164 -0.719
111 HG2 LYS 17 1HG LYS 17 5.706 4.743 -2.313
112 HG3 LYS 17 2HG LYS 17 6.496 3.509 -3.298
113 HD2 LYS 17 1HD LYS 17 4.240 2.654 -3.919
114 HD3 LYS 17 2HD LYS 17 3.532 4.019 -3.052
115 HE2 LYS 17 1HE LYS 17 3.704 4.405 -5.487
116 HE3 LYS 17 2HE LYS 17 4.615 5.579 -4.538
117 HZ1 LYS 17 3HZ LYS 17 5.564 4.024 -6.602
118 HZ2 LYS 17 1HZ LYS 17 6.232 3.345 -5.204
119 HZ3 LYS 17 2HZ LYS 17 6.479 4.982 -5.549
120 H CYS 18 H CYS 18 4.882 0.046 -0.090
121 HA CYS 18 HA CYS 18 7.351 -0.615 1.360
122 HB2 CYS 18 1HB CYS 18 6.234 -0.198 3.499
123 HB3 CYS 18 2HB CYS 18 6.275 1.265 2.519
124 H GLN 19 H GLN 19 4.903 -1.815 -0.329
125 HA GLN 19 HA GLN 19 3.938 -3.864 -0.532
126 HB2 GLN 19 1HB GLN 19 6.024 -4.620 1.520
127 HB3 GLN 19 2HB GLN 19 5.022 -5.770 0.645
128 HG2 GLN 19 1HG GLN 19 6.738 -3.808 -0.821
129 HG3 GLN 19 2HG GLN 19 7.411 -5.308 -0.185
130 HE21 GLN 19 1HE2 GLN 19 6.016 -3.885 -2.815
131 HE22 GLN 19 2HE2 GLN 19 5.494 -5.299 -3.659
132 H ALA 20 H ALA 20 2.840 -1.957 1.312
133 HA ALA 20 HA ALA 20 1.905 -3.512 3.585
134 HB1 ALA 20 3HB ALA 20 2.326 -1.331 4.234
135 HB2 ALA 20 1HB ALA 20 1.649 -0.651 2.753
136 HB3 ALA 20 2HB ALA 20 0.580 -1.321 3.986
137 H THR 21 H THR 21 -0.466 -3.481 4.079
138 HA THR 21 HA THR 21 -2.054 -3.803 1.616
139 HB THR 21 HB THR 21 -3.344 -5.573 2.844
140 HG1 THR 21 HG1 THR 21 -2.784 -5.215 4.963
141 HG21 THR 21 3HG2 THR 21 -2.079 -7.014 1.709
142 HG22 THR 21 1HG2 THR 21 -0.777 -6.856 2.887
143 HG23 THR 21 2HG2 THR 21 -0.867 -5.748 1.518
144 H PHE 22 H PHE 22 -4.304 -3.348 1.777
145 HA PHE 22 HA PHE 22 -5.211 -1.980 4.193
146 HB2 PHE 22 1HB PHE 22 -5.287 -0.721 1.443
147 HB3 PHE 22 2HB PHE 22 -6.045 -0.057 2.887
148 HD1 PHE 22 HD1 PHE 22 -2.740 -1.104 1.543
149 HD2 PHE 22 HD2 PHE 22 -4.871 1.410 4.237
150 HE1 PHE 22 HE1 PHE 22 -0.651 0.076 2.090
151 HE2 PHE 22 HE2 PHE 22 -2.786 2.595 4.787
152 HZ PHE 22 HZ PHE 22 -0.672 1.929 3.712
153 H ASN 23 H ASN 23 -7.607 -1.267 3.822
154 HA ASN 23 HA ASN 23 -8.981 -3.522 2.516
155 HB2 ASN 23 1HB ASN 23 -9.656 -1.937 4.989
156 HB3 ASN 23 2HB ASN 23 -10.860 -2.917 4.157
157 HD21 ASN 23 1HD2 ASN 23 -10.350 -3.507 6.705
158 HD22 ASN 23 2HD2 ASN 23 -9.441 -4.970 6.837
159 H LEU 24 H LEU 24 -9.128 -0.048 3.164
160 HA LEU 24 HA LEU 24 -11.158 0.219 1.053
161 HB2 LEU 24 1HB LEU 24 -10.371 2.078 3.289
162 HB3 LEU 24 2HB LEU 24 -11.510 2.498 2.011
163 HG LEU 24 HG LEU 24 -12.051 0.078 3.664
164 HD11 LEU 24 1HD1 LEU 24 -11.588 1.551 5.426
165 HD12 LEU 24 2HD1 LEU 24 -13.336 1.636 5.216
166 HD13 LEU 24 3HD1 LEU 24 -12.309 2.924 4.586
167 HD21 LEU 24 3HD2 LEU 24 -14.204 0.363 2.968
168 HD22 LEU 24 1HD2 LEU 24 -13.362 1.110 1.611
169 HD23 LEU 24 2HD2 LEU 24 -14.062 2.119 2.877
170 H ARG 25 H ARG 25 -10.913 1.807 -0.564
171 HA ARG 25 HA ARG 25 -8.315 2.060 -1.609
172 HB2 ARG 25 1HB ARG 25 -10.998 3.152 -2.289
173 HB3 ARG 25 2HB ARG 25 -9.598 3.956 -2.986
174 HG2 ARG 25 1HG ARG 25 -8.934 1.467 -3.596
175 HG3 ARG 25 2HG ARG 25 -10.682 1.246 -3.494
176 HD2 ARG 25 1HD ARG 25 -10.336 1.788 -5.730
177 HD3 ARG 25 2HD ARG 25 -10.819 3.321 -5.007
178 HE ARG 25 HE ARG 25 -7.972 2.908 -5.079
179 HH11 ARG 25 1HH1 ARG 25 -10.750 4.080 -6.821
180 HH12 ARG 25 2HH1 ARG 25 -9.829 5.139 -7.837
181 HH21 ARG 25 1HH2 ARG 25 -6.749 4.299 -6.410
182 HH22 ARG 25 2HH2 ARG 25 -7.553 5.262 -7.603
183 H LYS 26 H LYS 26 -10.458 4.619 -0.342
184 HA LYS 26 HA LYS 26 -8.748 6.747 -0.406
185 HB2 LYS 26 1HB LYS 26 -10.025 7.702 1.450
186 HB3 LYS 26 2HB LYS 26 -11.090 6.918 0.291
187 HG2 LYS 26 1HG LYS 26 -11.115 4.919 1.791
188 HG3 LYS 26 2HG LYS 26 -10.232 5.878 2.980
189 HD2 LYS 26 1HD LYS 26 -12.027 7.368 3.270
190 HD3 LYS 26 2HD LYS 26 -12.829 6.818 1.797
191 HE2 LYS 26 1HE LYS 26 -14.087 5.729 3.365
192 HE3 LYS 26 2HE LYS 26 -12.845 4.513 3.073
193 HZ1 LYS 26 3HZ LYS 26 -11.656 5.316 5.019
194 HZ2 LYS 26 1HZ LYS 26 -13.225 4.836 5.433
195 HZ3 LYS 26 2HZ LYS 26 -12.851 6.480 5.299
196 H HIS 27 H HIS 27 -8.867 4.174 2.003
197 HA HIS 27 HA HIS 27 -7.129 5.241 3.898
198 HB2 HIS 27 1HB HIS 27 -7.971 2.493 3.126
199 HB3 HIS 27 2HB HIS 27 -6.549 2.645 4.154
200 HD1 HIS 27 HD1 HIS 27 -7.145 2.407 6.529
201 HD2 HIS 27 HD2 HIS 27 -10.170 4.267 4.372
202 HE1 HIS 27 HE1 HIS 27 -8.962 2.890 8.199
203 H LEU 28 H LEU 28 -6.407 3.274 1.032
204 HA LEU 28 HA LEU 28 -3.595 3.245 1.466
205 HB2 LEU 28 1HB LEU 28 -4.464 1.503 0.152
206 HB3 LEU 28 2HB LEU 28 -5.348 2.619 -0.887
207 HG LEU 28 HG LEU 28 -3.093 3.421 -1.718
208 HD11 LEU 28 1HD1 LEU 28 -2.214 1.633 0.318
209 HD12 LEU 28 2HD1 LEU 28 -1.256 2.678 -0.730
210 HD13 LEU 28 3HD1 LEU 28 -1.654 1.039 -1.246
211 HD21 LEU 28 3HD2 LEU 28 -4.419 2.055 -3.135
212 HD22 LEU 28 1HD2 LEU 28 -4.045 0.606 -2.201
213 HD23 LEU 28 2HD2 LEU 28 -2.788 1.383 -3.164
214 H ILE 29 H ILE 29 -5.613 4.993 -0.898
215 HA ILE 29 HA ILE 29 -3.724 6.505 -2.158
216 HB ILE 29 HB ILE 29 -6.462 7.438 -1.287
217 HG12 ILE 29 1HG1 ILE 29 -5.756 6.529 -4.050
218 HG13 ILE 29 2HG1 ILE 29 -6.064 5.322 -2.807
219 HG21 ILE 29 1HG2 ILE 29 -6.289 9.069 -3.097
220 HG22 ILE 29 2HG2 ILE 29 -5.025 9.313 -1.893
221 HG23 ILE 29 3HG2 ILE 29 -4.642 8.533 -3.428
222 HD11 ILE 29 3HD1 ILE 29 -8.210 6.895 -2.464
223 HD12 ILE 29 1HD1 ILE 29 -7.918 7.140 -4.186
224 HD13 ILE 29 2HD1 ILE 29 -8.171 5.511 -3.557
225 H GLN 30 H GLN 30 -5.178 7.123 1.002
226 HA GLN 30 HA GLN 30 -3.927 9.645 1.396
227 HB2 GLN 30 1HB GLN 30 -5.981 8.738 2.597
228 HB3 GLN 30 2HB GLN 30 -4.871 7.784 3.572
229 HG2 GLN 30 1HG GLN 30 -5.641 9.945 4.586
230 HG3 GLN 30 2HG GLN 30 -3.896 9.705 4.524
231 HE21 GLN 30 1HE2 GLN 30 -3.421 11.876 4.609
232 HE22 GLN 30 2HE2 GLN 30 -3.733 12.957 3.298
233 H HIS 31 H HIS 31 -3.134 6.340 2.389
234 HA HIS 31 HA HIS 31 -0.899 6.970 3.973
235 HB2 HIS 31 1HB HIS 31 -1.629 4.799 4.295
236 HB3 HIS 31 2HB HIS 31 -1.866 4.511 2.574
237 HD1 HIS 31 HD1 HIS 31 0.879 4.693 5.159
238 HD2 HIS 31 HD2 HIS 31 0.255 3.336 1.282
239 HE1 HIS 31 HE1 HIS 31 2.943 3.386 4.564
240 H GLN 32 H GLN 32 -1.149 6.089 0.541
241 HA GLN 32 HA GLN 32 1.498 5.963 -0.155
242 HB2 GLN 32 1HB GLN 32 -0.776 7.164 -1.743
243 HB3 GLN 32 2HB GLN 32 0.792 6.736 -2.415
244 HG2 GLN 32 1HG GLN 32 0.200 4.390 -1.348
245 HG3 GLN 32 2HG GLN 32 -1.444 4.995 -1.549
246 HE21 GLN 32 1HE2 GLN 32 -1.091 2.883 -2.936
247 HE22 GLN 32 2HE2 GLN 32 -0.779 3.189 -4.608
248 H LYS 33 H LYS 33 -0.244 8.697 0.933
249 HA LYS 33 HA LYS 33 1.244 10.763 -0.281
250 HB2 LYS 33 1HB LYS 33 -0.122 10.819 2.415
251 HB3 LYS 33 2HB LYS 33 0.312 12.210 1.431
252 HG2 LYS 33 1HG LYS 33 -1.491 10.152 0.267
253 HG3 LYS 33 2HG LYS 33 -2.138 11.273 1.467
254 HD2 LYS 33 1HD LYS 33 -0.973 13.077 -0.028
255 HD3 LYS 33 2HD LYS 33 -1.065 11.823 -1.267
256 HE2 LYS 33 1HE LYS 33 -3.004 13.253 -1.418
257 HE3 LYS 33 2HE LYS 33 -3.494 11.651 -0.868
258 HZ1 LYS 33 3HZ LYS 33 -2.873 13.606 1.200
259 HZ2 LYS 33 1HZ LYS 33 -4.084 12.425 1.153
260 HZ3 LYS 33 2HZ LYS 33 -4.286 13.878 0.311
261 H THR 34 H THR 34 1.693 8.948 2.713
262 HA THR 34 HA THR 34 3.805 10.470 3.771
263 HB THR 34 HB THR 34 2.580 8.820 5.112
264 HG1 THR 34 HG1 THR 34 4.378 8.119 6.230
265 HG21 THR 34 3HG2 THR 34 2.205 6.773 4.320
266 HG22 THR 34 1HG2 THR 34 3.928 6.424 4.458
267 HG23 THR 34 2HG2 THR 34 3.278 7.078 2.955
268 H HIS 35 H HIS 35 3.712 8.637 0.980
269 HA HIS 35 HA HIS 35 6.562 7.966 1.068
270 HB2 HIS 35 1HB HIS 35 4.360 7.184 -0.846
271 HB3 HIS 35 2HB HIS 35 6.053 6.773 -1.098
272 HD1 HIS 35 HD1 HIS 35 6.683 6.007 1.885
273 HD2 HIS 35 HD2 HIS 35 3.437 4.650 -0.326
274 HE1 HIS 35 HE1 HIS 35 5.987 3.847 2.968
275 H ALA 36 H ALA 36 5.235 10.697 0.661
276 HA ALA 36 HA ALA 36 6.116 11.402 -2.017
277 HB1 ALA 36 3HB ALA 36 4.030 12.340 -1.076
278 HB2 ALA 36 1HB ALA 36 4.991 13.184 0.139
279 HB3 ALA 36 2HB ALA 36 5.184 13.579 -1.570
280 H ALA 37 H ALA 37 8.080 12.132 -2.482
281 HA ALA 37 HA ALA 37 9.877 12.852 -0.286
282 HB1 ALA 37 3HB ALA 37 10.424 12.160 -3.167
283 HB2 ALA 37 1HB ALA 37 11.662 12.640 -2.007
284 HB3 ALA 37 2HB ALA 37 10.737 11.160 -1.748
285 H LYS 38 H LYS 38 7.988 14.780 -0.771
286 HA LYS 38 HA LYS 38 9.586 16.906 -2.039
287 HB2 LYS 38 1HB LYS 38 7.490 17.987 -2.737
288 HB3 LYS 38 2HB LYS 38 7.673 16.393 -3.458
289 HG2 LYS 38 1HG LYS 38 6.116 15.455 -1.861
290 HG3 LYS 38 2HG LYS 38 5.983 17.013 -1.043
291 HD2 LYS 38 1HD LYS 38 4.841 17.987 -2.843
292 HD3 LYS 38 2HD LYS 38 5.333 16.711 -3.959
293 HE2 LYS 38 1HE LYS 38 3.948 15.115 -2.654
294 HE3 LYS 38 2HE LYS 38 3.386 16.464 -1.668
295 HZ1 LYS 38 3HZ LYS 38 2.187 17.348 -3.406
296 HZ2 LYS 38 1HZ LYS 38 1.986 15.690 -3.674
297 HZ3 LYS 38 2HZ LYS 38 3.100 16.566 -4.596
298 H SER 39 H SER 39 7.043 16.188 0.333
299 HA SER 39 HA SER 39 7.766 18.641 1.781
300 HB2 SER 39 1HB SER 39 5.331 16.883 2.160
301 HB3 SER 39 2HB SER 39 5.621 18.455 2.906
302 HG SER 39 HG SER 39 4.253 18.340 0.920
303 H GLY 40 H GLY 40 8.088 18.577 4.057
304 HA2 GLY 40 1HA GLY 40 9.177 15.995 4.952
305 HA3 GLY 40 2HA GLY 40 9.623 17.570 5.593
306 HA PRO 41 HA PRO 41 6.034 15.402 7.960
307 HB2 PRO 41 1HB PRO 41 7.419 13.957 9.794
308 HB3 PRO 41 2HB PRO 41 6.899 13.292 8.242
309 HG2 PRO 41 1HG PRO 41 9.580 14.355 9.044
310 HG3 PRO 41 2HG PRO 41 9.187 12.904 8.102
311 HD2 PRO 41 1HD PRO 41 10.001 15.215 6.948
312 HD3 PRO 41 2HD PRO 41 8.868 14.101 6.157
313 H SER 42 H SER 42 5.349 17.083 9.136
314 HA SER 42 HA SER 42 7.153 18.651 10.746
315 HB2 SER 42 1HB SER 42 5.205 20.040 11.224
316 HB3 SER 42 2HB SER 42 5.280 19.691 9.497
317 HG SER 42 HG SER 42 3.727 18.172 11.314
318 H SER 43 H SER 43 6.411 19.241 13.030
319 HA SER 43 HA SER 43 5.114 17.104 14.492
320 HB2 SER 43 1HB SER 43 7.980 17.825 15.140
321 HB3 SER 43 2HB SER 43 6.984 16.618 15.952
322 HG SER 43 HG SER 43 7.307 15.258 14.355
323 H GLY 44 H GLY 44 3.734 18.186 15.729
324 HA2 GLY 44 1HA GLY 44 3.208 19.509 17.607
325 HA3 GLY 44 2HA GLY 44 4.746 20.340 17.424
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 11.069 -22.574 -5.094
2 HA2 GLY 1 1HA GLY 1 10.901 -19.811 -4.787
3 HA3 GLY 1 2HA GLY 1 10.254 -20.185 -6.377
4 H SER 2 H SER 2 9.752 -20.374 -2.957
5 HA SER 2 HA SER 2 6.989 -21.253 -3.460
6 HB2 SER 2 1HB SER 2 6.998 -22.655 -1.520
7 HB3 SER 2 2HB SER 2 8.431 -23.076 -2.457
8 HG SER 2 HG SER 2 9.626 -22.453 -0.850
9 H SER 3 H SER 3 5.572 -20.772 -1.491
10 HA SER 3 HA SER 3 6.334 -18.669 0.269
11 HB2 SER 3 1HB SER 3 5.967 -17.595 -2.100
12 HB3 SER 3 2HB SER 3 4.258 -17.773 -1.700
13 HG SER 3 HG SER 3 5.102 -15.743 -1.044
14 H GLY 4 H GLY 4 4.268 -17.705 1.336
15 HA2 GLY 4 1HA GLY 4 2.065 -19.636 1.365
16 HA3 GLY 4 2HA GLY 4 2.940 -19.373 2.866
17 H SER 5 H SER 5 0.388 -18.348 0.927
18 HA SER 5 HA SER 5 -0.352 -16.320 2.821
19 HB2 SER 5 1HB SER 5 1.122 -14.962 1.465
20 HB3 SER 5 2HB SER 5 0.348 -15.528 -0.015
21 HG SER 5 HG SER 5 -0.358 -13.424 0.772
22 H SER 6 H SER 6 -2.515 -15.505 2.462
23 HA SER 6 HA SER 6 -4.096 -17.206 0.648
24 HB2 SER 6 1HB SER 6 -5.925 -17.086 2.353
25 HB3 SER 6 2HB SER 6 -4.493 -17.948 2.915
26 HG SER 6 HG SER 6 -5.643 -15.696 3.893
27 H GLY 7 H GLY 7 -6.399 -16.216 0.391
28 HA2 GLY 7 1HA GLY 7 -7.611 -14.058 0.411
29 HA3 GLY 7 2HA GLY 7 -6.085 -13.308 -0.033
30 H HIS 8 H HIS 8 -8.175 -15.954 -1.202
31 HA HIS 8 HA HIS 8 -7.503 -15.212 -3.949
32 HB2 HIS 8 1HB HIS 8 -9.044 -17.588 -2.885
33 HB3 HIS 8 2HB HIS 8 -8.599 -17.329 -4.570
34 HD1 HIS 8 HD1 HIS 8 -7.628 -19.440 -2.068
35 HD2 HIS 8 HD2 HIS 8 -5.470 -16.750 -4.385
36 HE1 HIS 8 HE1 HIS 8 -5.244 -20.235 -1.978
37 H THR 9 H THR 9 -10.349 -15.715 -1.888
38 HA THR 9 HA THR 9 -12.198 -14.828 -3.885
39 HB THR 9 HB THR 9 -13.849 -14.804 -2.010
40 HG1 THR 9 HG1 THR 9 -12.909 -14.516 -0.120
41 HG21 THR 9 3HG2 THR 9 -12.669 -17.408 -1.540
42 HG22 THR 9 1HG2 THR 9 -12.625 -16.973 -3.248
43 HG23 THR 9 2HG2 THR 9 -14.160 -16.985 -2.380
44 H ARG 10 H ARG 10 -11.056 -13.402 -0.820
45 HA ARG 10 HA ARG 10 -12.056 -10.796 -1.714
46 HB2 ARG 10 1HB ARG 10 -12.650 -11.715 0.569
47 HB3 ARG 10 2HB ARG 10 -10.959 -11.506 1.007
48 HG2 ARG 10 1HG ARG 10 -11.097 -9.154 0.791
49 HG3 ARG 10 2HG ARG 10 -12.675 -9.252 0.008
50 HD2 ARG 10 1HD ARG 10 -12.190 -10.233 2.808
51 HD3 ARG 10 2HD ARG 10 -12.650 -8.568 2.454
52 HE ARG 10 HE ARG 10 -14.568 -9.929 1.191
53 HH11 ARG 10 1HH1 ARG 10 -13.246 -10.263 4.394
54 HH12 ARG 10 2HH1 ARG 10 -14.722 -10.853 5.083
55 HH21 ARG 10 1HH2 ARG 10 -16.517 -10.705 2.086
56 HH22 ARG 10 2HH2 ARG 10 -16.582 -11.105 3.769
57 H LYS 11 H LYS 11 -10.705 -9.357 -2.544
58 HA LYS 11 HA LYS 11 -7.822 -9.681 -2.043
59 HB2 LYS 11 1HB LYS 11 -8.722 -9.864 -4.420
60 HB3 LYS 11 2HB LYS 11 -9.073 -8.144 -4.317
61 HG2 LYS 11 1HG LYS 11 -6.555 -7.976 -3.630
62 HG3 LYS 11 2HG LYS 11 -6.446 -9.541 -4.440
63 HD2 LYS 11 1HD LYS 11 -7.848 -7.309 -5.829
64 HD3 LYS 11 2HD LYS 11 -6.084 -7.286 -5.760
65 HE2 LYS 11 1HE LYS 11 -7.493 -9.780 -6.602
66 HE3 LYS 11 2HE LYS 11 -7.324 -8.451 -7.749
67 HZ1 LYS 11 3HZ LYS 11 -5.396 -10.355 -6.943
68 HZ2 LYS 11 1HZ LYS 11 -4.840 -8.798 -6.584
69 HZ3 LYS 11 2HZ LYS 11 -5.293 -9.190 -8.165
70 H ARG 12 H ARG 12 -6.548 -7.865 -1.584
71 HA ARG 12 HA ARG 12 -8.031 -5.432 -0.841
72 HB2 ARG 12 1HB ARG 12 -5.947 -6.930 0.735
73 HB3 ARG 12 2HB ARG 12 -6.299 -5.234 1.040
74 HG2 ARG 12 1HG ARG 12 -8.437 -5.686 1.820
75 HG3 ARG 12 2HG ARG 12 -8.490 -7.269 1.041
76 HD2 ARG 12 1HD ARG 12 -6.517 -6.660 3.217
77 HD3 ARG 12 2HD ARG 12 -8.164 -7.170 3.590
78 HE ARG 12 HE ARG 12 -7.382 -9.083 1.897
79 HH11 ARG 12 1HH1 ARG 12 -5.808 -7.680 4.667
80 HH12 ARG 12 2HH1 ARG 12 -4.940 -9.125 5.069
81 HH21 ARG 12 1HH2 ARG 12 -6.245 -10.991 2.416
82 HH22 ARG 12 2HH2 ARG 12 -5.189 -11.007 3.787
83 H TYR 13 H TYR 13 -6.976 -3.476 -1.141
84 HA TYR 13 HA TYR 13 -5.108 -3.368 -3.254
85 HB2 TYR 13 1HB TYR 13 -5.674 -1.122 -1.323
86 HB3 TYR 13 2HB TYR 13 -5.181 -1.003 -3.009
87 HD1 TYR 13 HD1 TYR 13 -6.791 -1.373 -4.806
88 HD2 TYR 13 HD2 TYR 13 -7.976 -1.560 -0.724
89 HE1 TYR 13 HE1 TYR 13 -9.149 -1.223 -5.490
90 HE2 TYR 13 HE2 TYR 13 -10.337 -1.412 -1.396
91 HH TYR 13 HH TYR 13 -11.753 -1.684 -3.221
92 H GLU 14 H GLU 14 -2.958 -3.447 -3.263
93 HA GLU 14 HA GLU 14 -1.560 -3.336 -0.676
94 HB2 GLU 14 1HB GLU 14 -1.148 -4.916 -3.162
95 HB3 GLU 14 2HB GLU 14 0.285 -4.437 -2.264
96 HG2 GLU 14 1HG GLU 14 -0.539 -5.544 -0.283
97 HG3 GLU 14 2HG GLU 14 -2.045 -5.948 -1.105
98 H CYS 15 H CYS 15 0.517 -2.308 -0.585
99 HA CYS 15 HA CYS 15 0.670 -0.002 -2.384
100 HB2 CYS 15 1HB CYS 15 0.592 0.318 0.115
101 HB3 CYS 15 2HB CYS 15 2.178 -0.442 0.197
102 H SER 16 H SER 16 2.115 0.028 -3.963
103 HA SER 16 HA SER 16 4.198 -1.981 -4.069
104 HB2 SER 16 1HB SER 16 2.785 -1.299 -6.059
105 HB3 SER 16 2HB SER 16 3.675 0.223 -6.070
106 HG SER 16 HG SER 16 5.559 -1.463 -6.010
107 H LYS 17 H LYS 17 4.427 0.033 -2.016
108 HA LYS 17 HA LYS 17 7.004 1.202 -2.823
109 HB2 LYS 17 1HB LYS 17 4.649 2.527 -1.579
110 HB3 LYS 17 2HB LYS 17 6.240 3.011 -1.008
111 HG2 LYS 17 1HG LYS 17 5.981 4.515 -2.683
112 HG3 LYS 17 2HG LYS 17 6.713 3.200 -3.604
113 HD2 LYS 17 1HD LYS 17 4.391 2.422 -4.155
114 HD3 LYS 17 2HD LYS 17 3.789 3.909 -3.418
115 HE2 LYS 17 1HE LYS 17 4.668 5.245 -5.083
116 HE3 LYS 17 2HE LYS 17 5.891 4.057 -5.534
117 HZ1 LYS 17 3HZ LYS 17 4.178 2.696 -6.526
118 HZ2 LYS 17 1HZ LYS 17 4.132 4.249 -7.197
119 HZ3 LYS 17 2HZ LYS 17 2.978 3.789 -6.049
120 H CYS 18 H CYS 18 4.955 -0.008 -0.226
121 HA CYS 18 HA CYS 18 7.389 -0.658 1.291
122 HB2 CYS 18 1HB CYS 18 6.099 -0.196 3.390
123 HB3 CYS 18 2HB CYS 18 6.439 1.235 2.423
124 H GLN 19 H GLN 19 4.803 -1.827 -0.312
125 HA GLN 19 HA GLN 19 3.770 -3.850 -0.420
126 HB2 GLN 19 1HB GLN 19 6.047 -4.590 1.418
127 HB3 GLN 19 2HB GLN 19 4.899 -5.761 0.782
128 HG2 GLN 19 1HG GLN 19 6.509 -3.973 -1.009
129 HG3 GLN 19 2HG GLN 19 7.118 -5.521 -0.426
130 HE21 GLN 19 1HE2 GLN 19 5.203 -3.940 -2.724
131 HE22 GLN 19 2HE2 GLN 19 4.558 -5.338 -3.507
132 H ALA 20 H ALA 20 2.410 -2.171 1.090
133 HA ALA 20 HA ALA 20 1.781 -3.564 3.601
134 HB1 ALA 20 3HB ALA 20 1.446 -1.570 4.533
135 HB2 ALA 20 1HB ALA 20 2.154 -0.870 3.076
136 HB3 ALA 20 2HB ALA 20 0.404 -1.045 3.210
137 H THR 21 H THR 21 -0.681 -3.180 4.177
138 HA THR 21 HA THR 21 -2.304 -3.856 1.815
139 HB THR 21 HB THR 21 -3.591 -5.448 3.240
140 HG1 THR 21 HG1 THR 21 -2.609 -4.421 5.243
141 HG21 THR 21 3HG2 THR 21 -0.696 -6.255 3.191
142 HG22 THR 21 1HG2 THR 21 -1.632 -6.073 1.708
143 HG23 THR 21 2HG2 THR 21 -2.124 -7.254 2.922
144 H PHE 22 H PHE 22 -4.496 -3.255 1.898
145 HA PHE 22 HA PHE 22 -5.394 -1.673 4.178
146 HB2 PHE 22 1HB PHE 22 -5.285 -0.593 1.354
147 HB3 PHE 22 2HB PHE 22 -6.104 0.191 2.701
148 HD1 PHE 22 HD2 PHE 22 -4.771 1.048 4.616
149 HD2 PHE 22 HD1 PHE 22 -2.954 -0.402 1.050
150 HE1 PHE 22 HE2 PHE 22 -2.679 2.192 5.221
151 HE2 PHE 22 HE1 PHE 22 -0.858 0.739 1.650
152 HZ PHE 22 HZ PHE 22 -0.719 2.039 3.737
153 H ASN 23 H ASN 23 -7.559 -1.777 4.520
154 HA ASN 23 HA ASN 23 -9.040 -3.731 3.026
155 HB2 ASN 23 1HB ASN 23 -9.825 -1.939 5.333
156 HB3 ASN 23 2HB ASN 23 -10.872 -3.176 4.643
157 HD21 ASN 23 1HD2 ASN 23 -10.393 -5.342 4.973
158 HD22 ASN 23 2HD2 ASN 23 -9.280 -5.863 6.187
159 H LEU 24 H LEU 24 -9.220 -0.225 3.495
160 HA LEU 24 HA LEU 24 -11.297 -0.073 1.429
161 HB2 LEU 24 1HB LEU 24 -10.317 1.937 3.446
162 HB3 LEU 24 2HB LEU 24 -11.489 2.308 2.183
163 HG LEU 24 HG LEU 24 -12.058 0.081 4.088
164 HD11 LEU 24 1HD1 LEU 24 -12.806 2.906 4.744
165 HD12 LEU 24 2HD1 LEU 24 -11.297 2.201 5.325
166 HD13 LEU 24 3HD1 LEU 24 -12.840 1.476 5.776
167 HD21 LEU 24 3HD2 LEU 24 -13.471 0.589 2.081
168 HD22 LEU 24 1HD2 LEU 24 -13.861 2.138 2.829
169 HD23 LEU 24 2HD2 LEU 24 -14.328 0.634 3.623
170 H ARG 25 H ARG 25 -11.116 1.892 -0.035
171 HA ARG 25 HA ARG 25 -8.569 1.768 -1.369
172 HB2 ARG 25 1HB ARG 25 -11.228 3.001 -1.953
173 HB3 ARG 25 2HB ARG 25 -9.816 3.575 -2.831
174 HG2 ARG 25 1HG ARG 25 -9.370 1.245 -3.543
175 HG3 ARG 25 2HG ARG 25 -10.874 0.759 -2.759
176 HD2 ARG 25 1HD ARG 25 -10.834 2.946 -4.807
177 HD3 ARG 25 2HD ARG 25 -10.894 1.252 -5.292
178 HE ARG 25 HE ARG 25 -12.919 1.375 -3.560
179 HH11 ARG 25 1HH1 ARG 25 -12.026 3.475 -6.189
180 HH12 ARG 25 2HH1 ARG 25 -13.655 3.958 -6.529
181 HH21 ARG 25 1HH2 ARG 25 -15.068 2.003 -3.997
182 HH22 ARG 25 2HH2 ARG 25 -15.384 3.121 -5.281
183 H LYS 26 H LYS 26 -10.545 4.543 -0.306
184 HA LYS 26 HA LYS 26 -8.812 6.585 -0.552
185 HB2 LYS 26 1HB LYS 26 -9.905 7.692 1.308
186 HB3 LYS 26 2HB LYS 26 -11.094 6.789 0.378
187 HG2 LYS 26 1HG LYS 26 -10.751 4.927 2.101
188 HG3 LYS 26 2HG LYS 26 -9.960 6.165 3.080
189 HD2 LYS 26 1HD LYS 26 -12.183 6.200 3.805
190 HD3 LYS 26 2HD LYS 26 -12.079 7.557 2.680
191 HE2 LYS 26 1HE LYS 26 -14.088 6.405 2.173
192 HE3 LYS 26 2HE LYS 26 -12.939 6.000 0.898
193 HZ1 LYS 26 3HZ LYS 26 -12.440 3.970 2.371
194 HZ2 LYS 26 1HZ LYS 26 -13.856 3.970 1.445
195 HZ3 LYS 26 2HZ LYS 26 -13.928 4.310 3.100
196 H HIS 27 H HIS 27 -8.729 4.145 1.991
197 HA HIS 27 HA HIS 27 -6.825 5.258 3.673
198 HB2 HIS 27 1HB HIS 27 -7.652 2.461 3.032
199 HB3 HIS 27 2HB HIS 27 -6.202 2.706 4.000
200 HD1 HIS 27 HD1 HIS 27 -7.431 1.609 6.028
201 HD2 HIS 27 HD2 HIS 27 -9.142 5.139 4.662
202 HE1 HIS 27 HE1 HIS 27 -9.021 2.330 7.839
203 H LEU 28 H LEU 28 -6.349 3.233 0.798
204 HA LEU 28 HA LEU 28 -3.552 3.064 0.945
205 HB2 LEU 28 1HB LEU 28 -4.617 1.561 -0.496
206 HB3 LEU 28 2HB LEU 28 -5.519 2.840 -1.306
207 HG LEU 28 HG LEU 28 -3.377 3.620 -2.315
208 HD11 LEU 28 1HD1 LEU 28 -1.790 2.749 -0.746
209 HD12 LEU 28 2HD1 LEU 28 -1.494 1.998 -2.313
210 HD13 LEU 28 3HD1 LEU 28 -2.327 1.096 -1.048
211 HD21 LEU 28 3HD2 LEU 28 -3.151 1.518 -3.801
212 HD22 LEU 28 1HD2 LEU 28 -4.689 2.380 -3.771
213 HD23 LEU 28 2HD2 LEU 28 -4.494 0.893 -2.842
214 H ILE 29 H ILE 29 -5.552 5.200 -1.099
215 HA ILE 29 HA ILE 29 -3.498 6.734 -2.162
216 HB ILE 29 HB ILE 29 -6.290 7.664 -1.482
217 HG12 ILE 29 1HG1 ILE 29 -6.383 7.216 -4.114
218 HG13 ILE 29 2HG1 ILE 29 -5.142 6.039 -3.698
219 HG21 ILE 29 1HG2 ILE 29 -5.114 8.858 -3.818
220 HG22 ILE 29 2HG2 ILE 29 -5.785 9.630 -2.383
221 HG23 ILE 29 3HG2 ILE 29 -4.095 9.129 -2.405
222 HD11 ILE 29 3HD1 ILE 29 -7.746 5.481 -3.699
223 HD12 ILE 29 1HD1 ILE 29 -6.594 4.691 -2.623
224 HD13 ILE 29 2HD1 ILE 29 -7.576 6.032 -2.033
225 H GLN 30 H GLN 30 -5.318 7.199 0.843
226 HA GLN 30 HA GLN 30 -4.152 9.662 1.559
227 HB2 GLN 30 1HB GLN 30 -6.228 8.395 2.529
228 HB3 GLN 30 2HB GLN 30 -5.048 7.679 3.618
229 HG2 GLN 30 1HG GLN 30 -4.402 9.882 4.404
230 HG3 GLN 30 2HG GLN 30 -5.534 10.629 3.278
231 HE21 GLN 30 1HE2 GLN 30 -5.134 9.965 6.391
232 HE22 GLN 30 2HE2 GLN 30 -6.772 9.736 6.890
233 H HIS 31 H HIS 31 -3.026 6.400 1.771
234 HA HIS 31 HA HIS 31 -1.015 6.907 3.758
235 HB2 HIS 31 1HB HIS 31 -1.653 4.672 3.732
236 HB3 HIS 31 2HB HIS 31 -1.709 4.602 1.974
237 HD1 HIS 31 HD1 HIS 31 0.880 4.865 4.742
238 HD2 HIS 31 HD2 HIS 31 0.488 3.476 0.846
239 HE1 HIS 31 HE1 HIS 31 3.051 3.709 4.219
240 H GLN 32 H GLN 32 -1.009 6.436 0.234
241 HA GLN 32 HA GLN 32 1.605 6.500 -0.409
242 HB2 GLN 32 1HB GLN 32 -0.776 7.765 -1.697
243 HB3 GLN 32 2HB GLN 32 0.820 8.101 -2.354
244 HG2 GLN 32 1HG GLN 32 1.120 5.556 -2.397
245 HG3 GLN 32 2HG GLN 32 -0.630 5.489 -2.189
246 HE21 GLN 32 1HE2 GLN 32 -1.142 4.673 -4.158
247 HE22 GLN 32 2HE2 GLN 32 -0.885 5.512 -5.646
248 H LYS 33 H LYS 33 -0.297 9.250 0.690
249 HA LYS 33 HA LYS 33 1.302 11.386 0.155
250 HB2 LYS 33 1HB LYS 33 -0.335 10.724 2.589
251 HB3 LYS 33 2HB LYS 33 0.548 12.241 2.477
252 HG2 LYS 33 1HG LYS 33 -1.683 12.655 1.786
253 HG3 LYS 33 2HG LYS 33 -0.668 12.699 0.343
254 HD2 LYS 33 1HD LYS 33 -1.369 10.489 -0.285
255 HD3 LYS 33 2HD LYS 33 -2.239 10.284 1.237
256 HE2 LYS 33 1HE LYS 33 -2.885 12.319 -0.894
257 HE3 LYS 33 2HE LYS 33 -3.745 10.802 -0.636
258 HZ1 LYS 33 3HZ LYS 33 -3.808 13.264 0.932
259 HZ2 LYS 33 1HZ LYS 33 -3.937 11.807 1.782
260 HZ3 LYS 33 2HZ LYS 33 -5.055 12.181 0.569
261 H THR 34 H THR 34 1.677 9.143 2.885
262 HA THR 34 HA THR 34 3.862 10.363 4.111
263 HB THR 34 HB THR 34 2.450 8.372 4.937
264 HG1 THR 34 HG1 THR 34 3.940 8.695 6.407
265 HG21 THR 34 3HG2 THR 34 3.341 7.064 2.798
266 HG22 THR 34 1HG2 THR 34 2.959 6.236 4.307
267 HG23 THR 34 2HG2 THR 34 4.633 6.633 3.918
268 H HIS 35 H HIS 35 3.699 8.260 1.317
269 HA HIS 35 HA HIS 35 6.514 7.758 1.184
270 HB2 HIS 35 1HB HIS 35 4.205 7.312 -0.687
271 HB3 HIS 35 2HB HIS 35 5.862 7.066 -1.232
272 HD1 HIS 35 HD1 HIS 35 7.035 5.685 1.245
273 HD2 HIS 35 HD2 HIS 35 3.341 4.748 -0.411
274 HE1 HIS 35 HE1 HIS 35 6.545 3.331 1.983
275 H ALA 36 H ALA 36 4.321 10.135 -0.171
276 HA ALA 36 HA ALA 36 5.588 11.268 -2.240
277 HB1 ALA 36 3HB ALA 36 4.611 13.344 -1.692
278 HB2 ALA 36 1HB ALA 36 3.534 12.115 -1.027
279 HB3 ALA 36 2HB ALA 36 4.639 12.989 0.035
280 H ALA 37 H ALA 37 7.528 12.074 -2.697
281 HA ALA 37 HA ALA 37 9.788 11.913 -1.297
282 HB1 ALA 37 3HB ALA 37 10.761 13.602 -2.651
283 HB2 ALA 37 1HB ALA 37 9.521 12.816 -3.629
284 HB3 ALA 37 2HB ALA 37 9.204 14.392 -2.902
285 H LYS 38 H LYS 38 7.518 14.625 -1.018
286 HA LYS 38 HA LYS 38 9.032 16.110 0.847
287 HB2 LYS 38 1HB LYS 38 6.725 17.127 1.383
288 HB3 LYS 38 2HB LYS 38 7.360 17.326 -0.245
289 HG2 LYS 38 1HG LYS 38 5.919 15.652 -1.107
290 HG3 LYS 38 2HG LYS 38 5.442 15.139 0.513
291 HD2 LYS 38 1HD LYS 38 4.681 17.664 0.701
292 HD3 LYS 38 2HD LYS 38 4.601 17.525 -1.056
293 HE2 LYS 38 1HE LYS 38 3.303 15.506 0.747
294 HE3 LYS 38 2HE LYS 38 2.484 16.999 0.294
295 HZ1 LYS 38 3HZ LYS 38 3.387 16.028 -2.074
296 HZ2 LYS 38 1HZ LYS 38 1.809 15.868 -1.484
297 HZ3 LYS 38 2HZ LYS 38 2.930 14.623 -1.249
298 H SER 39 H SER 39 9.674 15.250 2.721
299 HA SER 39 HA SER 39 7.618 14.077 4.463
300 HB2 SER 39 1HB SER 39 10.415 12.993 4.048
301 HB3 SER 39 2HB SER 39 9.278 12.418 5.267
302 HG SER 39 HG SER 39 8.796 11.089 3.679
303 H GLY 40 H GLY 40 8.482 16.740 4.503
304 HA2 GLY 40 1HA GLY 40 8.910 18.247 6.217
305 HA3 GLY 40 2HA GLY 40 9.411 16.903 7.233
306 HA PRO 41 HA PRO 41 13.156 19.387 5.998
307 HB2 PRO 41 1HB PRO 41 14.103 19.689 8.525
308 HB3 PRO 41 2HB PRO 41 12.947 20.808 7.792
309 HG2 PRO 41 1HG PRO 41 12.452 18.548 9.692
310 HG3 PRO 41 2HG PRO 41 11.757 20.179 9.688
311 HD2 PRO 41 1HD PRO 41 10.424 18.024 8.733
312 HD3 PRO 41 2HD PRO 41 10.214 19.653 8.058
313 H SER 42 H SER 42 12.897 16.934 8.572
314 HA SER 42 HA SER 42 15.002 15.389 7.272
315 HB2 SER 42 1HB SER 42 16.112 16.874 8.962
316 HB3 SER 42 2HB SER 42 15.156 16.082 10.214
317 HG SER 42 HG SER 42 16.651 14.620 10.227
318 H SER 43 H SER 43 14.975 13.181 7.775
319 HA SER 43 HA SER 43 12.448 12.275 8.948
320 HB2 SER 43 1HB SER 43 13.020 10.095 7.846
321 HB3 SER 43 2HB SER 43 12.848 11.441 6.719
322 HG SER 43 HG SER 43 14.923 9.848 7.013
323 H GLY 44 H GLY 44 15.913 11.438 9.005
324 HA2 GLY 44 1HA GLY 44 16.654 11.337 11.486
325 HA3 GLY 44 2HA GLY 44 15.470 10.040 11.553