Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504789 | 2en2 RC | 10231 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 -10.176 15.174 -15.198
2 HA2 GLY 1 1HA GLY 1 -8.821 13.976 -17.536
3 HA3 GLY 1 2HA GLY 1 -8.117 15.266 -16.573
4 H SER 2 H SER 2 -7.770 14.740 -14.231
5 HA SER 2 HA SER 2 -5.963 12.824 -13.784
6 HB2 SER 2 1HB SER 2 -8.138 13.600 -11.825
7 HB3 SER 2 2HB SER 2 -6.623 12.804 -11.398
8 HG SER 2 HG SER 2 -7.111 15.440 -12.118
9 H SER 3 H SER 3 -5.986 10.764 -14.398
10 HA SER 3 HA SER 3 -8.328 9.127 -13.675
11 HB2 SER 3 1HB SER 3 -6.819 9.311 -16.236
12 HB3 SER 3 2HB SER 3 -7.380 7.715 -15.738
13 HG SER 3 HG SER 3 -9.493 8.660 -15.542
14 H GLY 4 H GLY 4 -4.931 8.742 -14.717
15 HA2 GLY 4 1HA GLY 4 -4.088 7.507 -12.325
16 HA3 GLY 4 2HA GLY 4 -4.510 6.263 -13.493
17 H SER 5 H SER 5 -2.830 5.510 -14.575
18 HA SER 5 HA SER 5 -0.752 5.335 -15.493
19 HB2 SER 5 1HB SER 5 -1.576 8.107 -16.354
20 HB3 SER 5 2HB SER 5 -0.070 7.365 -16.894
21 HG SER 5 HG SER 5 -2.629 6.897 -17.705
22 H SER 6 H SER 6 -0.636 5.834 -12.804
23 HA SER 6 HA SER 6 1.761 7.533 -12.606
24 HB2 SER 6 1HB SER 6 -0.697 7.529 -10.912
25 HB3 SER 6 2HB SER 6 0.854 7.819 -10.125
26 HG SER 6 HG SER 6 0.955 9.338 -12.186
27 H GLY 7 H GLY 7 3.419 6.206 -12.270
28 HA2 GLY 7 1HA GLY 7 3.380 4.416 -10.000
29 HA3 GLY 7 2HA GLY 7 3.479 3.599 -11.553
30 H GLY 8 H GLY 8 5.086 5.938 -9.450
31 HA2 GLY 8 1HA GLY 8 7.624 5.222 -10.783
32 HA3 GLY 8 2HA GLY 8 7.272 6.867 -10.275
33 H GLU 9 H GLU 9 7.812 7.483 -8.265
34 HA GLU 9 HA GLU 9 9.230 5.581 -6.610
35 HB2 GLU 9 1HB GLU 9 9.514 7.682 -5.138
36 HB3 GLU 9 2HB GLU 9 10.324 7.640 -6.698
37 HG2 GLU 9 1HG GLU 9 8.828 9.146 -7.655
38 HG3 GLU 9 2HG GLU 9 7.624 8.894 -6.393
39 H LYS 10 H LYS 10 8.119 4.300 -5.296
40 HA LYS 10 HA LYS 10 6.273 5.450 -3.392
41 HB2 LYS 10 1HB LYS 10 5.324 3.240 -5.221
42 HB3 LYS 10 2HB LYS 10 4.408 3.996 -3.925
43 HG2 LYS 10 1HG LYS 10 4.602 6.158 -5.187
44 HG3 LYS 10 2HG LYS 10 5.266 5.225 -6.531
45 HD2 LYS 10 1HD LYS 10 3.267 4.210 -6.993
46 HD3 LYS 10 2HD LYS 10 2.703 4.318 -5.323
47 HE2 LYS 10 1HE LYS 10 1.937 6.464 -5.578
48 HE3 LYS 10 2HE LYS 10 3.093 6.840 -6.855
49 HZ1 LYS 10 3HZ LYS 10 1.780 5.886 -8.452
50 HZ2 LYS 10 1HZ LYS 10 0.594 6.501 -7.413
51 HZ3 LYS 10 2HZ LYS 10 0.988 4.857 -7.368
52 HA PRO 11 HA PRO 11 8.707 2.254 -1.338
53 HB2 PRO 11 1HB PRO 11 8.224 3.190 1.164
54 HB3 PRO 11 2HB PRO 11 9.445 3.891 0.095
55 HG2 PRO 11 1HG PRO 11 6.661 4.832 0.665
56 HG3 PRO 11 2HG PRO 11 8.155 5.777 0.529
57 HD2 PRO 11 1HD PRO 11 6.352 5.606 -1.484
58 HD3 PRO 11 2HD PRO 11 8.095 5.776 -1.775
59 H TYR 12 H TYR 12 5.450 3.333 -0.451
60 HA TYR 12 HA TYR 12 4.870 0.823 0.881
61 HB2 TYR 12 1HB TYR 12 2.979 3.102 0.277
62 HB3 TYR 12 2HB TYR 12 2.742 1.807 1.446
63 HD1 TYR 12 HD1 TYR 12 4.033 1.780 3.545
64 HD2 TYR 12 HD2 TYR 12 4.332 5.013 0.796
65 HE1 TYR 12 HE1 TYR 12 5.064 3.165 5.296
66 HE2 TYR 12 HE2 TYR 12 5.366 6.407 2.539
67 HH TYR 12 HH TYR 12 6.743 5.330 5.180
68 H LYS 13 H LYS 13 3.851 -0.870 0.013
69 HA LYS 13 HA LYS 13 2.415 -0.522 -2.524
70 HB2 LYS 13 1HB LYS 13 4.530 -1.356 -3.229
71 HB3 LYS 13 2HB LYS 13 4.576 -2.539 -1.928
72 HG2 LYS 13 1HG LYS 13 2.415 -3.449 -3.093
73 HG3 LYS 13 2HG LYS 13 3.068 -2.595 -4.493
74 HD2 LYS 13 1HD LYS 13 4.870 -3.991 -4.677
75 HD3 LYS 13 2HD LYS 13 4.906 -4.348 -2.948
76 HE2 LYS 13 1HE LYS 13 2.869 -5.715 -3.222
77 HE3 LYS 13 2HE LYS 13 2.915 -5.401 -4.956
78 HZ1 LYS 13 3HZ LYS 13 3.898 -7.539 -4.422
79 HZ2 LYS 13 1HZ LYS 13 5.020 -6.799 -3.395
80 HZ3 LYS 13 2HZ LYS 13 5.068 -6.496 -5.058
81 H CYS 14 H CYS 14 0.581 -1.711 -2.730
82 HA CYS 14 HA CYS 14 -0.354 -3.090 -0.358
83 HB2 CYS 14 1HB CYS 14 -1.856 -1.528 -1.494
84 HB3 CYS 14 2HB CYS 14 -1.745 -2.476 -2.974
85 H GLU 15 H GLU 15 0.087 -5.169 -0.080
86 HA GLU 15 HA GLU 15 0.856 -6.879 -2.244
87 HB2 GLU 15 1HB GLU 15 0.215 -7.600 0.622
88 HB3 GLU 15 2HB GLU 15 1.063 -8.613 -0.539
89 HG2 GLU 15 1HG GLU 15 2.781 -6.738 -0.669
90 HG3 GLU 15 2HG GLU 15 2.009 -6.094 0.779
91 H THR 16 H THR 16 -2.085 -6.223 -0.513
92 HA THR 16 HA THR 16 -3.556 -8.525 -0.996
93 HB THR 16 HB THR 16 -4.476 -5.651 -0.878
94 HG1 THR 16 HG1 THR 16 -5.199 -6.452 1.236
95 HG21 THR 16 3HG2 THR 16 -6.726 -6.710 -0.370
96 HG22 THR 16 1HG2 THR 16 -6.064 -8.205 -1.027
97 HG23 THR 16 2HG2 THR 16 -6.199 -6.776 -2.051
98 H CYS 17 H CYS 17 -3.018 -5.723 -3.089
99 HA CYS 17 HA CYS 17 -4.126 -7.288 -5.326
100 HB2 CYS 17 1HB CYS 17 -5.081 -5.314 -6.286
101 HB3 CYS 17 2HB CYS 17 -5.604 -5.382 -4.605
102 H GLY 18 H GLY 18 -1.831 -4.808 -4.293
103 HA2 GLY 18 1HA GLY 18 0.474 -5.155 -5.148
104 HA3 GLY 18 2HA GLY 18 -0.258 -5.387 -6.729
105 H ALA 19 H ALA 19 -1.711 -2.976 -4.797
106 HA ALA 19 HA ALA 19 -1.047 -0.924 -6.653
107 HB1 ALA 19 3HB ALA 19 -3.169 -1.087 -5.299
108 HB2 ALA 19 1HB ALA 19 -2.232 -0.518 -3.918
109 HB3 ALA 19 2HB ALA 19 -2.409 0.504 -5.345
110 H ARG 20 H ARG 20 -0.380 1.313 -5.549
111 HA ARG 20 HA ARG 20 1.783 0.993 -3.640
112 HB2 ARG 20 1HB ARG 20 2.210 1.756 -6.515
113 HB3 ARG 20 2HB ARG 20 3.299 2.329 -5.259
114 HG2 ARG 20 1HG ARG 20 3.978 0.130 -4.715
115 HG3 ARG 20 2HG ARG 20 2.682 -0.581 -5.679
116 HD2 ARG 20 1HD ARG 20 5.084 0.939 -6.681
117 HD3 ARG 20 2HD ARG 20 4.746 -0.779 -6.891
118 HE ARG 20 HE ARG 20 3.645 1.410 -8.409
119 HH11 ARG 20 1HH1 ARG 20 3.257 -1.910 -7.434
120 HH12 ARG 20 2HH1 ARG 20 2.255 -2.326 -8.785
121 HH21 ARG 20 1HH2 ARG 20 2.327 0.874 -10.192
122 HH22 ARG 20 2HH2 ARG 20 1.727 -0.742 -10.353
123 H PHE 21 H PHE 21 2.628 3.050 -2.879
124 HA PHE 21 HA PHE 21 1.262 5.474 -3.635
125 HB2 PHE 21 1HB PHE 21 0.933 4.545 -0.784
126 HB3 PHE 21 2HB PHE 21 0.157 5.913 -1.575
127 HD1 PHE 21 HD2 PHE 21 0.382 2.203 -1.740
128 HD2 PHE 21 HD1 PHE 21 -1.973 5.680 -2.434
129 HE1 PHE 21 HE2 PHE 21 -1.547 0.781 -2.294
130 HE2 PHE 21 HE1 PHE 21 -3.907 4.263 -2.989
131 HZ PHE 21 HZ PHE 21 -3.695 1.810 -2.920
132 H VAL 22 H VAL 22 2.097 7.366 -2.485
133 HA VAL 22 HA VAL 22 4.932 7.113 -2.043
134 HB VAL 22 HB VAL 22 4.375 9.056 -3.217
135 HG11 VAL 22 1HG1 VAL 22 2.047 9.093 -1.426
136 HG12 VAL 22 2HG1 VAL 22 2.698 10.681 -1.838
137 HG13 VAL 22 3HG1 VAL 22 2.189 9.576 -3.116
138 HG21 VAL 22 3HG2 VAL 22 4.619 10.052 -0.384
139 HG22 VAL 22 1HG2 VAL 22 5.966 9.393 -1.311
140 HG23 VAL 22 2HG2 VAL 22 5.151 10.859 -1.859
141 H GLN 23 H GLN 23 2.072 7.747 -0.092
142 HA GLN 23 HA GLN 23 3.763 7.578 2.315
143 HB2 GLN 23 1HB GLN 23 1.509 9.413 1.644
144 HB3 GLN 23 2HB GLN 23 1.696 8.899 3.316
145 HG2 GLN 23 1HG GLN 23 4.078 9.949 1.885
146 HG3 GLN 23 2HG GLN 23 2.836 11.085 2.410
147 HE21 GLN 23 1HE2 GLN 23 5.196 8.735 3.446
148 HE22 GLN 23 2HE2 GLN 23 5.268 9.242 5.096
149 H VAL 24 H VAL 24 3.036 6.327 4.011
150 HA VAL 24 HA VAL 24 1.508 4.072 3.427
151 HB VAL 24 HB VAL 24 3.141 4.632 5.436
152 HG11 VAL 24 1HG1 VAL 24 0.443 4.937 6.744
153 HG12 VAL 24 2HG1 VAL 24 2.027 5.012 7.518
154 HG13 VAL 24 3HG1 VAL 24 1.531 6.281 6.398
155 HG21 VAL 24 3HG2 VAL 24 1.820 2.461 4.685
156 HG22 VAL 24 1HG2 VAL 24 2.689 2.536 6.218
157 HG23 VAL 24 2HG2 VAL 24 0.943 2.777 6.182
158 H ALA 25 H ALA 25 0.585 7.111 4.977
159 HA ALA 25 HA ALA 25 -1.922 6.523 5.920
160 HB1 ALA 25 3HB ALA 25 -1.510 8.666 6.442
161 HB2 ALA 25 1HB ALA 25 -0.567 8.947 4.978
162 HB3 ALA 25 2HB ALA 25 -2.329 9.017 4.920
163 H HIS 26 H HIS 26 -0.892 6.858 2.610
164 HA HIS 26 HA HIS 26 -3.582 6.979 1.561
165 HB2 HIS 26 1HB HIS 26 -1.055 6.442 0.002
166 HB3 HIS 26 2HB HIS 26 -2.575 7.098 -0.597
167 HD1 HIS 26 HD1 HIS 26 -0.549 8.884 -1.420
168 HD2 HIS 26 HD2 HIS 26 -1.868 9.008 2.518
169 HE1 HIS 26 HE1 HIS 26 0.115 11.152 -0.559
170 H LEU 27 H LEU 27 -0.911 4.623 1.464
171 HA LEU 27 HA LEU 27 -2.310 2.587 0.148
172 HB2 LEU 27 1HB LEU 27 0.009 2.352 0.237
173 HB3 LEU 27 2HB LEU 27 0.061 2.618 1.978
174 HG LEU 27 HG LEU 27 -0.895 0.404 2.354
175 HD11 LEU 27 1HD1 LEU 27 -1.324 -1.135 0.587
176 HD12 LEU 27 2HD1 LEU 27 -0.695 -0.015 -0.621
177 HD13 LEU 27 3HD1 LEU 27 -2.200 0.352 0.222
178 HD21 LEU 27 3HD2 LEU 27 1.016 -0.937 1.461
179 HD22 LEU 27 1HD2 LEU 27 1.490 0.527 2.324
180 HD23 LEU 27 2HD2 LEU 27 1.525 0.493 0.561
181 H ARG 28 H ARG 28 -1.676 2.972 3.637
182 HA ARG 28 HA ARG 28 -3.163 0.790 4.517
183 HB2 ARG 28 1HB ARG 28 -3.024 1.714 6.681
184 HB3 ARG 28 2HB ARG 28 -1.578 2.277 5.853
185 HG2 ARG 28 1HG ARG 28 -2.654 4.435 5.445
186 HG3 ARG 28 2HG ARG 28 -4.097 3.869 6.288
187 HD2 ARG 28 1HD ARG 28 -2.573 3.440 8.278
188 HD3 ARG 28 2HD ARG 28 -1.356 4.377 7.413
189 HE ARG 28 HE ARG 28 -3.919 5.679 7.742
190 HH11 ARG 28 1HH1 ARG 28 -0.715 5.183 9.011
191 HH12 ARG 28 2HH1 ARG 28 -0.718 6.641 9.946
192 HH21 ARG 28 1HH2 ARG 28 -3.935 7.602 8.969
193 HH22 ARG 28 2HH2 ARG 28 -2.551 8.016 9.922
194 H ALA 29 H ALA 29 -4.213 3.781 3.223
195 HA ALA 29 HA ALA 29 -6.887 3.559 4.360
196 HB1 ALA 29 3HB ALA 29 -6.132 5.781 4.307
197 HB2 ALA 29 1HB ALA 29 -5.535 5.628 2.654
198 HB3 ALA 29 2HB ALA 29 -7.271 5.657 2.966
199 H HIS 30 H HIS 30 -5.191 2.472 1.650
200 HA HIS 30 HA HIS 30 -7.600 2.285 -0.006
201 HB2 HIS 30 1HB HIS 30 -5.931 3.005 -1.417
202 HB3 HIS 30 2HB HIS 30 -4.671 2.139 -0.544
203 HD1 HIS 30 HD1 HIS 30 -6.981 1.851 -3.402
204 HD2 HIS 30 HD2 HIS 30 -4.474 -0.640 -1.217
205 HE1 HIS 30 HE1 HIS 30 -6.724 -0.230 -4.790
206 H VAL 31 H VAL 31 -5.271 0.333 1.734
207 HA VAL 31 HA VAL 31 -5.996 -2.187 0.704
208 HB VAL 31 HB VAL 31 -5.169 -2.903 3.126
209 HG11 VAL 31 1HG1 VAL 31 -3.994 -3.427 1.088
210 HG12 VAL 31 2HG1 VAL 31 -3.414 -1.765 0.953
211 HG13 VAL 31 3HG1 VAL 31 -2.849 -2.794 2.270
212 HG21 VAL 31 3HG2 VAL 31 -5.225 -0.239 3.538
213 HG22 VAL 31 1HG2 VAL 31 -4.140 -1.340 4.387
214 HG23 VAL 31 2HG2 VAL 31 -3.561 -0.436 2.988
215 H LEU 32 H LEU 32 -7.606 -0.059 2.841
216 HA LEU 32 HA LEU 32 -9.095 -1.949 4.341
217 HB2 LEU 32 1HB LEU 32 -9.890 0.871 3.645
218 HB3 LEU 32 2HB LEU 32 -10.479 -0.097 4.994
219 HG LEU 32 HG LEU 32 -7.653 0.915 4.687
220 HD11 LEU 32 1HD1 LEU 32 -8.466 2.859 5.396
221 HD12 LEU 32 2HD1 LEU 32 -8.816 2.058 6.927
222 HD13 LEU 32 3HD1 LEU 32 -10.063 2.169 5.685
223 HD21 LEU 32 3HD2 LEU 32 -8.649 0.049 7.304
224 HD22 LEU 32 1HD2 LEU 32 -7.096 -0.247 6.523
225 HD23 LEU 32 2HD2 LEU 32 -8.494 -1.244 6.114
226 H ILE 33 H ILE 33 -9.317 -0.840 1.115
227 HA ILE 33 HA ILE 33 -12.070 -1.110 0.632
228 HB ILE 33 HB ILE 33 -11.545 -1.216 -1.698
229 HG12 ILE 33 1HG1 ILE 33 -8.796 -2.028 -0.759
230 HG13 ILE 33 2HG1 ILE 33 -9.887 -2.914 -1.819
231 HG21 ILE 33 1HG2 ILE 33 -9.778 0.636 -1.848
232 HG22 ILE 33 2HG2 ILE 33 -11.244 0.965 -0.926
233 HG23 ILE 33 3HG2 ILE 33 -9.747 0.561 -0.086
234 HD11 ILE 33 3HD1 ILE 33 -8.323 -2.097 -3.289
235 HD12 ILE 33 1HD1 ILE 33 -9.592 -0.877 -3.393
236 HD13 ILE 33 2HD1 ILE 33 -8.150 -0.570 -2.424
237 H HIS 34 H HIS 34 -9.422 -3.457 0.405
238 HA HIS 34 HA HIS 34 -11.152 -5.589 -0.440
239 HB2 HIS 34 1HB HIS 34 -8.423 -6.029 0.726
240 HB3 HIS 34 2HB HIS 34 -9.237 -6.916 -0.560
241 HD1 HIS 34 HD1 HIS 34 -9.196 -5.849 -2.941
242 HD2 HIS 34 HD2 HIS 34 -6.965 -3.811 -0.090
243 HE1 HIS 34 HE1 HIS 34 -7.735 -4.265 -4.237
244 H THR 35 H THR 35 -9.088 -5.306 2.455
245 HA THR 35 HA THR 35 -10.284 -7.331 3.924
246 HB THR 35 HB THR 35 -8.150 -6.265 4.558
247 HG1 THR 35 HG1 THR 35 -9.860 -7.279 6.117
248 HG21 THR 35 3HG2 THR 35 -9.862 -3.999 5.585
249 HG22 THR 35 1HG2 THR 35 -8.857 -3.923 4.138
250 HG23 THR 35 2HG2 THR 35 -8.110 -4.144 5.720
251 H GLY 36 H GLY 36 -11.196 -3.943 3.606
252 HA2 GLY 36 1HA GLY 36 -13.492 -4.436 5.390
253 HA3 GLY 36 2HA GLY 36 -12.813 -2.853 5.043
254 H SER 37 H SER 37 -15.141 -2.397 4.634
255 HA SER 37 HA SER 37 -15.632 -2.463 1.802
256 HB2 SER 37 1HB SER 37 -16.558 -4.641 2.420
257 HB3 SER 37 2HB SER 37 -17.546 -3.885 3.670
258 HG SER 37 HG SER 37 -18.409 -2.597 1.813
259 H GLY 38 H GLY 38 -16.270 -0.468 1.354
260 HA2 GLY 38 1HA GLY 38 -17.724 1.045 3.417
261 HA3 GLY 38 2HA GLY 38 -16.799 1.750 2.100
262 HA PRO 39 HA PRO 39 -20.583 2.361 -0.047
263 HB2 PRO 39 1HB PRO 39 -19.623 2.569 -2.578
264 HB3 PRO 39 2HB PRO 39 -19.424 3.842 -1.367
265 HG2 PRO 39 1HG PRO 39 -17.480 1.741 -2.244
266 HG3 PRO 39 2HG PRO 39 -17.199 3.463 -1.927
267 HD2 PRO 39 1HD PRO 39 -16.571 1.530 -0.138
268 HD3 PRO 39 2HD PRO 39 -17.093 3.153 0.355
269 H SER 40 H SER 40 -21.841 1.478 -1.919
270 HA SER 40 HA SER 40 -21.642 -1.419 -1.906
271 HB2 SER 40 1HB SER 40 -23.837 -1.268 -3.150
272 HB3 SER 40 2HB SER 40 -23.844 -0.546 -1.541
273 HG SER 40 HG SER 40 -24.689 0.644 -3.578
274 H SER 41 H SER 41 -19.545 -0.182 -3.280
275 HA SER 41 HA SER 41 -19.730 -1.509 -5.803
276 HB2 SER 41 1HB SER 41 -19.236 0.561 -7.164
277 HB3 SER 41 2HB SER 41 -20.878 0.467 -6.529
278 HG SER 41 HG SER 41 -18.816 2.206 -5.885
279 H GLY 42 H GLY 42 -17.788 -2.354 -6.143
280 HA2 GLY 42 1HA GLY 42 -15.408 -1.748 -6.606
281 HA3 GLY 42 2HA GLY 42 -15.442 -0.920 -5.057
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -2.048 -10.569 -23.993
2 HA2 GLY 1 1HA GLY 1 -0.063 -11.181 -25.697
3 HA3 GLY 1 2HA GLY 1 -0.417 -9.520 -26.150
4 H SER 2 H SER 2 0.993 -8.160 -25.295
5 HA SER 2 HA SER 2 1.808 -8.565 -22.496
6 HB2 SER 2 1HB SER 2 3.602 -7.693 -24.775
7 HB3 SER 2 2HB SER 2 4.073 -7.771 -23.077
8 HG SER 2 HG SER 2 3.188 -10.105 -23.449
9 H SER 3 H SER 3 0.470 -7.007 -21.663
10 HA SER 3 HA SER 3 1.154 -4.244 -22.376
11 HB2 SER 3 1HB SER 3 -1.617 -5.420 -22.177
12 HB3 SER 3 2HB SER 3 -1.319 -3.690 -22.007
13 HG SER 3 HG SER 3 -1.020 -3.548 -24.085
14 H GLY 4 H GLY 4 0.966 -2.735 -20.689
15 HA2 GLY 4 1HA GLY 4 0.051 -2.375 -18.378
16 HA3 GLY 4 2HA GLY 4 0.704 -3.966 -18.016
17 H SER 5 H SER 5 1.410 -0.608 -18.455
18 HA SER 5 HA SER 5 4.250 -1.095 -17.872
19 HB2 SER 5 1HB SER 5 4.555 1.295 -18.580
20 HB3 SER 5 2HB SER 5 3.945 0.241 -19.856
21 HG SER 5 HG SER 5 2.051 1.230 -19.795
22 H SER 6 H SER 6 4.708 -1.026 -15.778
23 HA SER 6 HA SER 6 3.358 0.998 -14.113
24 HB2 SER 6 1HB SER 6 4.260 -1.801 -13.447
25 HB3 SER 6 2HB SER 6 3.936 -0.603 -12.194
26 HG SER 6 HG SER 6 2.137 -2.029 -12.846
27 H GLY 7 H GLY 7 4.587 2.171 -12.643
28 HA2 GLY 7 1HA GLY 7 7.159 1.801 -11.803
29 HA3 GLY 7 2HA GLY 7 7.338 2.542 -13.386
30 H GLY 8 H GLY 8 6.499 3.030 -10.074
31 HA2 GLY 8 1HA GLY 8 6.629 5.913 -10.493
32 HA3 GLY 8 2HA GLY 8 5.133 5.293 -9.810
33 H GLU 9 H GLU 9 7.887 6.761 -8.984
34 HA GLU 9 HA GLU 9 9.086 5.441 -6.917
35 HB2 GLU 9 1HB GLU 9 9.377 7.736 -5.861
36 HB3 GLU 9 2HB GLU 9 9.952 7.555 -7.513
37 HG2 GLU 9 1HG GLU 9 8.107 8.738 -8.388
38 HG3 GLU 9 2HG GLU 9 7.243 8.668 -6.853
39 H LYS 10 H LYS 10 7.883 4.173 -5.594
40 HA LYS 10 HA LYS 10 6.315 5.513 -3.564
41 HB2 LYS 10 1HB LYS 10 5.072 3.346 -5.268
42 HB3 LYS 10 2HB LYS 10 4.337 4.096 -3.857
43 HG2 LYS 10 1HG LYS 10 4.289 6.242 -5.010
44 HG3 LYS 10 2HG LYS 10 5.048 5.505 -6.423
45 HD2 LYS 10 1HD LYS 10 3.147 4.385 -7.030
46 HD3 LYS 10 2HD LYS 10 2.553 4.274 -5.371
47 HE2 LYS 10 1HE LYS 10 1.769 6.486 -5.390
48 HE3 LYS 10 2HE LYS 10 2.716 6.900 -6.818
49 HZ1 LYS 10 3HZ LYS 10 0.149 5.532 -6.623
50 HZ2 LYS 10 1HZ LYS 10 1.205 4.994 -7.830
51 HZ3 LYS 10 2HZ LYS 10 0.715 6.612 -7.796
52 HA PRO 11 HA PRO 11 8.656 2.289 -1.506
53 HB2 PRO 11 1HB PRO 11 8.171 3.208 1.002
54 HB3 PRO 11 2HB PRO 11 9.384 3.924 -0.065
55 HG2 PRO 11 1HG PRO 11 6.593 4.840 0.514
56 HG3 PRO 11 2HG PRO 11 8.080 5.797 0.381
57 HD2 PRO 11 1HD PRO 11 6.275 5.623 -1.630
58 HD3 PRO 11 2HD PRO 11 8.016 5.809 -1.923
59 H TYR 12 H TYR 12 5.450 3.377 -0.404
60 HA TYR 12 HA TYR 12 4.877 0.851 0.854
61 HB2 TYR 12 1HB TYR 12 2.947 3.095 0.246
62 HB3 TYR 12 2HB TYR 12 2.753 1.815 1.439
63 HD1 TYR 12 HD1 TYR 12 3.945 1.896 3.557
64 HD2 TYR 12 HD2 TYR 12 4.403 4.991 0.673
65 HE1 TYR 12 HE1 TYR 12 4.977 3.329 5.268
66 HE2 TYR 12 HE2 TYR 12 5.438 6.432 2.377
67 HH TYR 12 HH TYR 12 5.376 6.609 4.921
68 H LYS 13 H LYS 13 3.877 -0.859 -0.001
69 HA LYS 13 HA LYS 13 2.425 -0.540 -2.534
70 HB2 LYS 13 1HB LYS 13 4.548 -1.366 -3.233
71 HB3 LYS 13 2HB LYS 13 4.597 -2.543 -1.927
72 HG2 LYS 13 1HG LYS 13 2.429 -3.451 -3.098
73 HG3 LYS 13 2HG LYS 13 3.109 -2.621 -4.499
74 HD2 LYS 13 1HD LYS 13 4.897 -4.038 -4.641
75 HD3 LYS 13 2HD LYS 13 4.912 -4.367 -2.907
76 HE2 LYS 13 1HE LYS 13 3.202 -5.939 -3.069
77 HE3 LYS 13 2HE LYS 13 2.658 -5.328 -4.630
78 HZ1 LYS 13 3HZ LYS 13 3.772 -7.153 -5.327
79 HZ2 LYS 13 1HZ LYS 13 4.836 -7.167 -4.011
80 HZ3 LYS 13 2HZ LYS 13 5.088 -6.089 -5.290
81 H CYS 14 H CYS 14 0.581 -1.707 -2.701
82 HA CYS 14 HA CYS 14 -0.331 -3.085 -0.322
83 HB2 CYS 14 1HB CYS 14 -1.838 -1.532 -1.475
84 HB3 CYS 14 2HB CYS 14 -1.742 -2.509 -2.936
85 H GLU 15 H GLU 15 0.104 -5.162 -0.030
86 HA GLU 15 HA GLU 15 0.875 -6.886 -2.184
87 HB2 GLU 15 1HB GLU 15 0.247 -7.587 0.689
88 HB3 GLU 15 2HB GLU 15 1.093 -8.606 -0.468
89 HG2 GLU 15 1HG GLU 15 2.791 -6.695 -0.617
90 HG3 GLU 15 2HG GLU 15 2.036 -6.094 0.858
91 H THR 16 H THR 16 -2.064 -6.208 -0.467
92 HA THR 16 HA THR 16 -3.529 -8.526 -0.927
93 HB THR 16 HB THR 16 -4.445 -5.652 -0.792
94 HG1 THR 16 HG1 THR 16 -3.698 -6.355 1.175
95 HG21 THR 16 3HG2 THR 16 -6.052 -8.194 -0.963
96 HG22 THR 16 1HG2 THR 16 -6.164 -6.766 -1.992
97 HG23 THR 16 2HG2 THR 16 -6.705 -6.690 -0.315
98 H CYS 17 H CYS 17 -2.972 -5.744 -3.034
99 HA CYS 17 HA CYS 17 -4.104 -7.306 -5.259
100 HB2 CYS 17 1HB CYS 17 -5.041 -5.318 -6.228
101 HB3 CYS 17 2HB CYS 17 -5.587 -5.411 -4.556
102 H GLY 18 H GLY 18 -1.813 -4.808 -4.255
103 HA2 GLY 18 1HA GLY 18 0.493 -5.163 -5.113
104 HA3 GLY 18 2HA GLY 18 -0.245 -5.406 -6.689
105 H ALA 19 H ALA 19 -1.690 -2.984 -4.762
106 HA ALA 19 HA ALA 19 -1.028 -0.942 -6.635
107 HB1 ALA 19 3HB ALA 19 -3.130 -1.189 -5.142
108 HB2 ALA 19 1HB ALA 19 -2.155 -0.365 -3.925
109 HB3 ALA 19 2HB ALA 19 -2.490 0.422 -5.467
110 H ARG 20 H ARG 20 -0.377 1.304 -5.528
111 HA ARG 20 HA ARG 20 1.788 0.993 -3.619
112 HB2 ARG 20 1HB ARG 20 2.206 1.743 -6.497
113 HB3 ARG 20 2HB ARG 20 3.284 2.355 -5.249
114 HG2 ARG 20 1HG ARG 20 3.951 0.142 -4.644
115 HG3 ARG 20 2HG ARG 20 2.729 -0.567 -5.701
116 HD2 ARG 20 1HD ARG 20 4.552 -0.744 -7.060
117 HD3 ARG 20 2HD ARG 20 3.996 0.863 -7.527
118 HE ARG 20 HE ARG 20 5.719 1.387 -5.521
119 HH11 ARG 20 1HH1 ARG 20 5.965 -0.536 -8.412
120 HH12 ARG 20 2HH1 ARG 20 7.668 -0.279 -8.595
121 HH21 ARG 20 1HH2 ARG 20 7.962 1.733 -5.751
122 HH22 ARG 20 2HH2 ARG 20 8.803 1.011 -7.080
123 H PHE 21 H PHE 21 2.630 3.059 -2.867
124 HA PHE 21 HA PHE 21 1.251 5.476 -3.615
125 HB2 PHE 21 1HB PHE 21 0.918 4.537 -0.768
126 HB3 PHE 21 2HB PHE 21 0.142 5.907 -1.554
127 HD1 PHE 21 HD2 PHE 21 0.366 2.198 -1.713
128 HD2 PHE 21 HD1 PHE 21 -1.979 5.674 -2.443
129 HE1 PHE 21 HE2 PHE 21 -1.560 0.775 -2.279
130 HE2 PHE 21 HE1 PHE 21 -3.909 4.257 -3.009
131 HZ PHE 21 HZ PHE 21 -3.701 1.804 -2.929
132 H VAL 22 H VAL 22 2.095 7.370 -2.507
133 HA VAL 22 HA VAL 22 4.922 7.138 -2.057
134 HB VAL 22 HB VAL 22 4.304 9.087 -3.209
135 HG11 VAL 22 1HG1 VAL 22 1.985 9.238 -2.821
136 HG12 VAL 22 2HG1 VAL 22 2.209 9.437 -1.082
137 HG13 VAL 22 3HG1 VAL 22 2.667 10.735 -2.185
138 HG21 VAL 22 3HG2 VAL 22 5.100 10.887 -1.829
139 HG22 VAL 22 1HG2 VAL 22 4.685 10.001 -0.361
140 HG23 VAL 22 2HG2 VAL 22 5.984 9.422 -1.405
141 H GLN 23 H GLN 23 2.076 7.770 -0.075
142 HA GLN 23 HA GLN 23 3.783 7.546 2.316
143 HB2 GLN 23 1HB GLN 23 1.565 9.429 1.675
144 HB3 GLN 23 2HB GLN 23 1.718 8.875 3.338
145 HG2 GLN 23 1HG GLN 23 4.133 9.917 1.952
146 HG3 GLN 23 2HG GLN 23 2.911 11.057 2.509
147 HE21 GLN 23 1HE2 GLN 23 5.151 8.555 3.502
148 HE22 GLN 23 2HE2 GLN 23 5.255 9.038 5.157
149 H VAL 24 H VAL 24 3.007 6.335 4.042
150 HA VAL 24 HA VAL 24 1.490 4.075 3.447
151 HB VAL 24 HB VAL 24 3.086 4.646 5.480
152 HG11 VAL 24 1HG1 VAL 24 1.585 6.311 6.461
153 HG12 VAL 24 2HG1 VAL 24 0.341 5.075 6.655
154 HG13 VAL 24 3HG1 VAL 24 1.851 4.956 7.558
155 HG21 VAL 24 3HG2 VAL 24 1.270 2.563 4.839
156 HG22 VAL 24 1HG2 VAL 24 2.755 2.473 5.787
157 HG23 VAL 24 2HG2 VAL 24 1.218 2.809 6.584
158 H ALA 25 H ALA 25 0.544 7.101 5.025
159 HA ALA 25 HA ALA 25 -1.979 6.530 5.901
160 HB1 ALA 25 3HB ALA 25 -2.221 9.050 4.705
161 HB2 ALA 25 1HB ALA 25 -1.805 8.689 6.381
162 HB3 ALA 25 2HB ALA 25 -0.529 8.902 5.181
163 H HIS 26 H HIS 26 -0.895 6.844 2.607
164 HA HIS 26 HA HIS 26 -3.568 6.959 1.513
165 HB2 HIS 26 1HB HIS 26 -1.024 6.408 -0.011
166 HB3 HIS 26 2HB HIS 26 -2.531 7.081 -0.625
167 HD1 HIS 26 HD1 HIS 26 -0.513 8.863 -1.435
168 HD2 HIS 26 HD2 HIS 26 -1.800 8.961 2.514
169 HE1 HIS 26 HE1 HIS 26 0.175 11.118 -0.559
170 H LEU 27 H LEU 27 -0.896 4.603 1.486
171 HA LEU 27 HA LEU 27 -2.283 2.559 0.158
172 HB2 LEU 27 1HB LEU 27 0.033 2.323 0.253
173 HB3 LEU 27 2HB LEU 27 0.084 2.610 1.991
174 HG LEU 27 HG LEU 27 -0.892 0.397 2.381
175 HD11 LEU 27 1HD1 LEU 27 -0.610 -0.051 -0.583
176 HD12 LEU 27 2HD1 LEU 27 -2.139 0.307 0.219
177 HD13 LEU 27 3HD1 LEU 27 -1.258 -1.167 0.619
178 HD21 LEU 27 3HD2 LEU 27 1.508 0.578 2.386
179 HD22 LEU 27 1HD2 LEU 27 1.562 0.433 0.629
180 HD23 LEU 27 2HD2 LEU 27 1.048 -0.939 1.611
181 H ARG 28 H ARG 28 -1.654 2.953 3.647
182 HA ARG 28 HA ARG 28 -3.153 0.774 4.524
183 HB2 ARG 28 1HB ARG 28 -3.013 1.699 6.693
184 HB3 ARG 28 2HB ARG 28 -1.553 2.227 5.866
185 HG2 ARG 28 1HG ARG 28 -2.649 4.400 5.414
186 HG3 ARG 28 2HG ARG 28 -4.030 3.860 6.370
187 HD2 ARG 28 1HD ARG 28 -1.226 3.922 7.455
188 HD3 ARG 28 2HD ARG 28 -2.315 5.305 7.559
189 HE ARG 28 HE ARG 28 -3.771 3.284 8.618
190 HH11 ARG 28 1HH1 ARG 28 -0.579 4.525 9.242
191 HH12 ARG 28 2HH1 ARG 28 -0.597 4.092 10.920
192 HH21 ARG 28 1HH2 ARG 28 -3.807 2.710 10.825
193 HH22 ARG 28 2HH2 ARG 28 -2.434 3.059 11.819
194 H ALA 29 H ALA 29 -4.185 3.753 3.209
195 HA ALA 29 HA ALA 29 -6.856 3.565 4.366
196 HB1 ALA 29 3HB ALA 29 -6.254 5.782 4.323
197 HB2 ALA 29 1HB ALA 29 -5.391 5.631 2.792
198 HB3 ALA 29 2HB ALA 29 -7.155 5.648 2.813
199 H HIS 30 H HIS 30 -5.176 2.464 1.650
200 HA HIS 30 HA HIS 30 -7.593 2.291 0.003
201 HB2 HIS 30 1HB HIS 30 -5.934 2.994 -1.422
202 HB3 HIS 30 2HB HIS 30 -4.669 2.139 -0.545
203 HD1 HIS 30 HD1 HIS 30 -6.969 1.828 -3.404
204 HD2 HIS 30 HD2 HIS 30 -4.481 -0.653 -1.187
205 HE1 HIS 30 HE1 HIS 30 -6.713 -0.266 -4.774
206 H VAL 31 H VAL 31 -5.262 0.323 1.726
207 HA VAL 31 HA VAL 31 -5.999 -2.192 0.703
208 HB VAL 31 HB VAL 31 -5.187 -2.910 3.129
209 HG11 VAL 31 1HG1 VAL 31 -3.476 -1.817 0.905
210 HG12 VAL 31 2HG1 VAL 31 -2.835 -2.730 2.273
211 HG13 VAL 31 3HG1 VAL 31 -3.977 -3.488 1.162
212 HG21 VAL 31 3HG2 VAL 31 -5.230 -0.242 3.534
213 HG22 VAL 31 1HG2 VAL 31 -4.160 -1.349 4.394
214 HG23 VAL 31 2HG2 VAL 31 -3.563 -0.454 2.997
215 H LEU 32 H LEU 32 -7.599 -0.060 2.852
216 HA LEU 32 HA LEU 32 -9.104 -1.942 4.340
217 HB2 LEU 32 1HB LEU 32 -9.922 0.869 3.640
218 HB3 LEU 32 2HB LEU 32 -10.463 -0.095 5.013
219 HG LEU 32 HG LEU 32 -7.645 0.914 4.634
220 HD11 LEU 32 1HD1 LEU 32 -9.349 1.987 6.783
221 HD12 LEU 32 2HD1 LEU 32 -9.756 2.505 5.147
222 HD13 LEU 32 3HD1 LEU 32 -8.136 2.787 5.783
223 HD21 LEU 32 3HD2 LEU 32 -8.846 -0.039 7.199
224 HD22 LEU 32 1HD2 LEU 32 -7.153 0.042 6.714
225 HD23 LEU 32 2HD2 LEU 32 -8.204 -1.202 6.038
226 H ILE 33 H ILE 33 -9.330 -0.801 1.118
227 HA ILE 33 HA ILE 33 -12.069 -1.059 0.615
228 HB ILE 33 HB ILE 33 -11.529 -1.210 -1.712
229 HG12 ILE 33 1HG1 ILE 33 -8.795 -2.027 -0.736
230 HG13 ILE 33 2HG1 ILE 33 -9.883 -2.922 -1.791
231 HG21 ILE 33 1HG2 ILE 33 -9.722 0.620 -1.857
232 HG22 ILE 33 2HG2 ILE 33 -11.218 0.981 -0.996
233 HG23 ILE 33 3HG2 ILE 33 -9.756 0.582 -0.094
234 HD11 ILE 33 3HD1 ILE 33 -8.176 -0.551 -2.423
235 HD12 ILE 33 1HD1 ILE 33 -8.243 -2.123 -3.220
236 HD13 ILE 33 2HD1 ILE 33 -9.564 -0.973 -3.426
237 H HIS 34 H HIS 34 -9.458 -3.452 0.412
238 HA HIS 34 HA HIS 34 -11.208 -5.564 -0.424
239 HB2 HIS 34 1HB HIS 34 -8.512 -6.041 0.802
240 HB3 HIS 34 2HB HIS 34 -9.313 -6.922 -0.496
241 HD1 HIS 34 HD1 HIS 34 -9.188 -5.883 -2.883
242 HD2 HIS 34 HD2 HIS 34 -7.008 -3.843 0.006
243 HE1 HIS 34 HE1 HIS 34 -7.673 -4.331 -4.155
244 H THR 35 H THR 35 -9.285 -5.110 2.549
245 HA THR 35 HA THR 35 -10.656 -7.133 3.986
246 HB THR 35 HB THR 35 -8.370 -6.379 4.567
247 HG1 THR 35 HG1 THR 35 -9.560 -7.447 6.168
248 HG21 THR 35 3HG2 THR 35 -9.749 -3.933 5.678
249 HG22 THR 35 1HG2 THR 35 -8.749 -3.958 4.226
250 HG23 THR 35 2HG2 THR 35 -8.031 -4.315 5.797
251 H GLY 36 H GLY 36 -12.411 -7.061 5.285
252 HA2 GLY 36 1HA GLY 36 -13.574 -4.431 5.910
253 HA3 GLY 36 2HA GLY 36 -14.568 -5.652 5.129
254 H SER 37 H SER 37 -12.164 -6.015 7.713
255 HA SER 37 HA SER 37 -12.352 -7.303 9.626
256 HB2 SER 37 1HB SER 37 -12.802 -4.990 10.337
257 HB3 SER 37 2HB SER 37 -14.522 -5.227 10.028
258 HG SER 37 HG SER 37 -13.500 -5.575 12.277
259 H GLY 38 H GLY 38 -13.724 -8.600 7.575
260 HA2 GLY 38 1HA GLY 38 -16.281 -9.426 8.751
261 HA3 GLY 38 2HA GLY 38 -15.729 -9.793 7.124
262 HA PRO 39 HA PRO 39 -14.672 -13.166 10.408
263 HB2 PRO 39 1HB PRO 39 -16.949 -14.643 10.431
264 HB3 PRO 39 2HB PRO 39 -16.647 -13.326 11.571
265 HG2 PRO 39 1HG PRO 39 -18.277 -13.321 9.060
266 HG3 PRO 39 2HG PRO 39 -18.650 -12.603 10.637
267 HD2 PRO 39 1HD PRO 39 -17.718 -11.144 8.556
268 HD3 PRO 39 2HD PRO 39 -17.338 -10.749 10.245
269 H SER 40 H SER 40 -16.655 -13.320 7.482
270 HA SER 40 HA SER 40 -15.005 -15.587 6.576
271 HB2 SER 40 1HB SER 40 -16.891 -16.610 5.536
272 HB3 SER 40 2HB SER 40 -17.406 -16.184 7.168
273 HG SER 40 HG SER 40 -18.429 -15.392 4.821
274 H SER 41 H SER 41 -14.230 -13.017 6.060
275 HA SER 41 HA SER 41 -15.236 -12.081 3.545
276 HB2 SER 41 1HB SER 41 -13.052 -11.276 5.413
277 HB3 SER 41 2HB SER 41 -12.958 -10.719 3.742
278 HG SER 41 HG SER 41 -14.821 -9.611 3.992
279 H GLY 42 H GLY 42 -12.172 -13.587 4.573
280 HA2 GLY 42 1HA GLY 42 -11.530 -15.476 2.990
281 HA3 GLY 42 2HA GLY 42 -11.659 -14.245 1.742
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -3.743 -2.966 -17.974
2 HA2 GLY 1 1HA GLY 1 -2.030 -4.043 -19.062
3 HA3 GLY 1 2HA GLY 1 -2.158 -2.814 -20.311
4 H SER 2 H SER 2 0.152 -4.158 -18.855
5 HA SER 2 HA SER 2 1.440 -1.999 -17.448
6 HB2 SER 2 1HB SER 2 1.968 -4.184 -16.665
7 HB3 SER 2 2HB SER 2 2.347 -4.753 -18.291
8 HG SER 2 HG SER 2 4.286 -3.943 -18.118
9 H SER 3 H SER 3 1.500 -0.350 -19.022
10 HA SER 3 HA SER 3 3.633 -0.720 -21.011
11 HB2 SER 3 1HB SER 3 2.409 0.377 -22.719
12 HB3 SER 3 2HB SER 3 1.278 -0.779 -22.014
13 HG SER 3 HG SER 3 0.043 0.857 -21.604
14 H GLY 4 H GLY 4 4.945 1.056 -21.381
15 HA2 GLY 4 1HA GLY 4 6.150 2.879 -20.633
16 HA3 GLY 4 2HA GLY 4 4.597 3.686 -20.791
17 H SER 5 H SER 5 5.844 1.268 -18.491
18 HA SER 5 HA SER 5 5.084 3.110 -16.319
19 HB2 SER 5 1HB SER 5 4.916 0.108 -16.514
20 HB3 SER 5 2HB SER 5 4.918 0.930 -14.953
21 HG SER 5 HG SER 5 2.911 0.661 -16.748
22 H SER 6 H SER 6 7.151 4.075 -16.286
23 HA SER 6 HA SER 6 9.239 2.357 -15.115
24 HB2 SER 6 1HB SER 6 10.916 3.852 -16.227
25 HB3 SER 6 2HB SER 6 9.945 2.909 -17.357
26 HG SER 6 HG SER 6 8.554 4.920 -17.325
27 H GLY 7 H GLY 7 8.191 5.745 -15.488
28 HA2 GLY 7 1HA GLY 7 9.614 6.579 -13.129
29 HA3 GLY 7 2HA GLY 7 8.518 7.561 -14.091
30 H GLY 8 H GLY 8 8.950 6.017 -11.160
31 HA2 GLY 8 1HA GLY 8 6.450 6.850 -10.145
32 HA3 GLY 8 2HA GLY 8 6.391 5.126 -10.479
33 H GLU 9 H GLU 9 7.277 7.505 -8.255
34 HA GLU 9 HA GLU 9 9.004 5.662 -6.759
35 HB2 GLU 9 1HB GLU 9 9.361 7.759 -5.311
36 HB3 GLU 9 2HB GLU 9 10.085 7.730 -6.913
37 HG2 GLU 9 1HG GLU 9 8.355 9.135 -7.789
38 HG3 GLU 9 2HG GLU 9 7.459 9.048 -6.273
39 H LYS 10 H LYS 10 7.970 4.399 -5.371
40 HA LYS 10 HA LYS 10 6.219 5.543 -3.390
41 HB2 LYS 10 1HB LYS 10 5.137 3.419 -5.251
42 HB3 LYS 10 2HB LYS 10 4.307 4.096 -3.856
43 HG2 LYS 10 1HG LYS 10 4.405 6.325 -4.981
44 HG3 LYS 10 2HG LYS 10 5.027 5.504 -6.415
45 HD2 LYS 10 1HD LYS 10 3.025 4.504 -6.879
46 HD3 LYS 10 2HD LYS 10 2.533 4.454 -5.184
47 HE2 LYS 10 1HE LYS 10 1.711 6.591 -5.220
48 HE3 LYS 10 2HE LYS 10 2.812 7.110 -6.495
49 HZ1 LYS 10 3HZ LYS 10 0.176 5.956 -6.699
50 HZ2 LYS 10 1HZ LYS 10 1.307 5.277 -7.758
51 HZ3 LYS 10 2HZ LYS 10 1.014 6.942 -7.789
52 HA PRO 11 HA PRO 11 8.650 2.261 -1.489
53 HB2 PRO 11 1HB PRO 11 8.240 3.127 1.051
54 HB3 PRO 11 2HB PRO 11 9.438 3.850 -0.029
55 HG2 PRO 11 1HG PRO 11 6.677 4.793 0.641
56 HG3 PRO 11 2HG PRO 11 8.175 5.731 0.494
57 HD2 PRO 11 1HD PRO 11 6.319 5.632 -1.476
58 HD3 PRO 11 2HD PRO 11 8.055 5.799 -1.807
59 H TYR 12 H TYR 12 5.443 3.348 -0.426
60 HA TYR 12 HA TYR 12 4.870 0.827 0.860
61 HB2 TYR 12 1HB TYR 12 2.953 3.084 0.257
62 HB3 TYR 12 2HB TYR 12 2.747 1.799 1.442
63 HD1 TYR 12 HD1 TYR 12 4.001 1.833 3.545
64 HD2 TYR 12 HD2 TYR 12 4.352 4.995 0.720
65 HE1 TYR 12 HE1 TYR 12 5.038 3.249 5.268
66 HE2 TYR 12 HE2 TYR 12 5.390 6.420 2.434
67 HH TYR 12 HH TYR 12 5.658 6.637 4.732
68 H LYS 13 H LYS 13 3.847 -0.874 0.007
69 HA LYS 13 HA LYS 13 2.403 -0.544 -2.527
70 HB2 LYS 13 1HB LYS 13 4.519 -1.379 -3.231
71 HB3 LYS 13 2HB LYS 13 4.567 -2.555 -1.924
72 HG2 LYS 13 1HG LYS 13 2.402 -3.468 -3.084
73 HG3 LYS 13 2HG LYS 13 3.060 -2.626 -4.489
74 HD2 LYS 13 1HD LYS 13 4.867 -4.023 -4.649
75 HD3 LYS 13 2HD LYS 13 4.879 -4.383 -2.921
76 HE2 LYS 13 1HE LYS 13 2.897 -5.779 -3.192
77 HE3 LYS 13 2HE LYS 13 2.851 -5.396 -4.912
78 HZ1 LYS 13 3HZ LYS 13 5.127 -6.755 -3.579
79 HZ2 LYS 13 1HZ LYS 13 4.907 -6.527 -5.241
80 HZ3 LYS 13 2HZ LYS 13 3.883 -7.568 -4.387
81 H CYS 14 H CYS 14 0.563 -1.720 -2.710
82 HA CYS 14 HA CYS 14 -0.355 -3.099 -0.330
83 HB2 CYS 14 1HB CYS 14 -1.839 -1.512 -1.497
84 HB3 CYS 14 2HB CYS 14 -1.789 -2.529 -2.933
85 H GLU 15 H GLU 15 0.089 -5.178 -0.058
86 HA GLU 15 HA GLU 15 0.837 -6.889 -2.225
87 HB2 GLU 15 1HB GLU 15 0.200 -7.613 0.640
88 HB3 GLU 15 2HB GLU 15 1.042 -8.626 -0.524
89 HG2 GLU 15 1HG GLU 15 2.772 -6.769 -0.653
90 HG3 GLU 15 2HG GLU 15 1.999 -6.104 0.785
91 H THR 16 H THR 16 -2.098 -6.213 -0.499
92 HA THR 16 HA THR 16 -3.582 -8.510 -0.973
93 HB THR 16 HB THR 16 -4.492 -5.631 -0.869
94 HG1 THR 16 HG1 THR 16 -4.271 -5.970 1.200
95 HG21 THR 16 3HG2 THR 16 -6.067 -8.185 -1.046
96 HG22 THR 16 1HG2 THR 16 -6.244 -6.714 -2.001
97 HG23 THR 16 2HG2 THR 16 -6.736 -6.731 -0.308
98 H CYS 17 H CYS 17 -3.071 -5.696 -3.064
99 HA CYS 17 HA CYS 17 -4.171 -7.268 -5.301
100 HB2 CYS 17 1HB CYS 17 -5.131 -5.298 -6.258
101 HB3 CYS 17 2HB CYS 17 -5.642 -5.356 -4.575
102 H GLY 18 H GLY 18 -1.866 -4.799 -4.270
103 HA2 GLY 18 1HA GLY 18 0.435 -5.151 -5.133
104 HA3 GLY 18 2HA GLY 18 -0.302 -5.375 -6.712
105 H ALA 19 H ALA 19 -1.747 -2.966 -4.774
106 HA ALA 19 HA ALA 19 -1.080 -0.910 -6.623
107 HB1 ALA 19 3HB ALA 19 -3.205 -0.928 -5.423
108 HB2 ALA 19 1HB ALA 19 -2.352 -0.699 -3.896
109 HB3 ALA 19 2HB ALA 19 -2.319 0.567 -5.123
110 H ARG 20 H ARG 20 -0.401 1.321 -5.512
111 HA ARG 20 HA ARG 20 1.764 0.992 -3.610
112 HB2 ARG 20 1HB ARG 20 2.194 1.717 -6.492
113 HB3 ARG 20 2HB ARG 20 3.278 2.325 -5.249
114 HG2 ARG 20 1HG ARG 20 3.947 0.126 -4.641
115 HG3 ARG 20 2HG ARG 20 2.686 -0.596 -5.642
116 HD2 ARG 20 1HD ARG 20 5.030 1.018 -6.641
117 HD3 ARG 20 2HD ARG 20 4.882 -0.737 -6.714
118 HE ARG 20 HE ARG 20 3.378 -0.522 -8.462
119 HH11 ARG 20 1HH1 ARG 20 4.158 2.596 -7.123
120 HH12 ARG 20 2HH1 ARG 20 3.450 3.480 -8.434
121 HH21 ARG 20 1HH2 ARG 20 2.443 0.631 -10.193
122 HH22 ARG 20 2HH2 ARG 20 2.474 2.362 -10.179
123 H PHE 21 H PHE 21 2.620 3.044 -2.853
124 HA PHE 21 HA PHE 21 1.283 5.478 -3.623
125 HB2 PHE 21 1HB PHE 21 0.920 4.564 -0.772
126 HB3 PHE 21 2HB PHE 21 0.161 5.933 -1.578
127 HD1 PHE 21 HD2 PHE 21 0.361 2.221 -1.722
128 HD2 PHE 21 HD1 PHE 21 -1.963 5.710 -2.454
129 HE1 PHE 21 HE2 PHE 21 -1.573 0.809 -2.286
130 HE2 PHE 21 HE1 PHE 21 -3.902 4.305 -3.018
131 HZ PHE 21 HZ PHE 21 -3.709 1.851 -2.936
132 H VAL 22 H VAL 22 2.133 7.364 -2.483
133 HA VAL 22 HA VAL 22 4.958 7.086 -2.014
134 HB VAL 22 HB VAL 22 4.415 9.033 -3.195
135 HG11 VAL 22 1HG1 VAL 22 2.245 9.420 -1.153
136 HG12 VAL 22 2HG1 VAL 22 2.764 10.715 -2.234
137 HG13 VAL 22 3HG1 VAL 22 2.090 9.226 -2.898
138 HG21 VAL 22 3HG2 VAL 22 6.057 9.422 -1.415
139 HG22 VAL 22 1HG2 VAL 22 5.112 10.871 -1.758
140 HG23 VAL 22 2HG2 VAL 22 4.757 9.905 -0.326
141 H GLN 23 H GLN 23 2.094 7.771 -0.082
142 HA GLN 23 HA GLN 23 3.767 7.580 2.336
143 HB2 GLN 23 1HB GLN 23 1.542 9.439 1.642
144 HB3 GLN 23 2HB GLN 23 1.691 8.916 3.315
145 HG2 GLN 23 1HG GLN 23 4.091 9.970 1.902
146 HG3 GLN 23 2HG GLN 23 2.862 11.094 2.482
147 HE21 GLN 23 1HE2 GLN 23 4.220 12.005 4.003
148 HE22 GLN 23 2HE2 GLN 23 4.703 11.172 5.437
149 H VAL 24 H VAL 24 3.041 6.310 4.008
150 HA VAL 24 HA VAL 24 1.495 4.075 3.424
151 HB VAL 24 HB VAL 24 3.116 4.623 5.443
152 HG11 VAL 24 1HG1 VAL 24 0.398 5.005 6.693
153 HG12 VAL 24 2HG1 VAL 24 1.952 4.974 7.528
154 HG13 VAL 24 3HG1 VAL 24 1.572 6.292 6.419
155 HG21 VAL 24 3HG2 VAL 24 1.351 2.779 6.608
156 HG22 VAL 24 1HG2 VAL 24 1.189 2.577 4.863
157 HG23 VAL 24 2HG2 VAL 24 2.773 2.434 5.625
158 H ALA 25 H ALA 25 0.579 7.100 5.018
159 HA ALA 25 HA ALA 25 -1.937 6.533 5.924
160 HB1 ALA 25 3HB ALA 25 -2.401 8.830 5.861
161 HB2 ALA 25 1HB ALA 25 -0.648 8.732 6.031
162 HB3 ALA 25 2HB ALA 25 -1.364 9.090 4.459
163 H HIS 26 H HIS 26 -0.887 6.850 2.620
164 HA HIS 26 HA HIS 26 -3.573 6.980 1.558
165 HB2 HIS 26 1HB HIS 26 -1.049 6.431 0.001
166 HB3 HIS 26 2HB HIS 26 -2.562 7.112 -0.591
167 HD1 HIS 26 HD1 HIS 26 -0.476 8.861 -1.391
168 HD2 HIS 26 HD2 HIS 26 -1.859 9.005 2.524
169 HE1 HIS 26 HE1 HIS 26 0.212 11.117 -0.518
170 H LEU 27 H LEU 27 -0.904 4.622 1.469
171 HA LEU 27 HA LEU 27 -2.303 2.587 0.149
172 HB2 LEU 27 1HB LEU 27 0.015 2.348 0.240
173 HB3 LEU 27 2HB LEU 27 0.066 2.617 1.981
174 HG LEU 27 HG LEU 27 -0.871 0.408 2.371
175 HD11 LEU 27 1HD1 LEU 27 -0.747 -0.006 -0.609
176 HD12 LEU 27 2HD1 LEU 27 -2.228 0.343 0.281
177 HD13 LEU 27 3HD1 LEU 27 -1.331 -1.139 0.611
178 HD21 LEU 27 3HD2 LEU 27 1.014 -0.944 1.411
179 HD22 LEU 27 1HD2 LEU 27 1.504 0.496 2.305
180 HD23 LEU 27 2HD2 LEU 27 1.519 0.506 0.541
181 H ARG 28 H ARG 28 -1.677 2.977 3.639
182 HA ARG 28 HA ARG 28 -3.167 0.793 4.516
183 HB2 ARG 28 1HB ARG 28 -3.031 1.717 6.682
184 HB3 ARG 28 2HB ARG 28 -1.579 2.266 5.857
185 HG2 ARG 28 1HG ARG 28 -2.619 4.436 5.453
186 HG3 ARG 28 2HG ARG 28 -4.084 3.885 6.269
187 HD2 ARG 28 1HD ARG 28 -2.348 3.345 8.200
188 HD3 ARG 28 2HD ARG 28 -1.434 4.618 7.394
189 HE ARG 28 HE ARG 28 -4.177 5.301 7.949
190 HH11 ARG 28 1HH1 ARG 28 -0.912 5.275 9.156
191 HH12 ARG 28 2HH1 ARG 28 -1.182 6.556 10.291
192 HH21 ARG 28 1HH2 ARG 28 -4.546 6.988 9.439
193 HH22 ARG 28 2HH2 ARG 28 -3.250 7.529 10.452
194 H ALA 29 H ALA 29 -4.211 3.772 3.203
195 HA ALA 29 HA ALA 29 -6.885 3.567 4.350
196 HB1 ALA 29 3HB ALA 29 -6.207 5.787 4.301
197 HB2 ALA 29 1HB ALA 29 -5.474 5.633 2.704
198 HB3 ALA 29 2HB ALA 29 -7.230 5.655 2.871
199 H HIS 30 H HIS 30 -5.191 2.475 1.638
200 HA HIS 30 HA HIS 30 -7.604 2.285 -0.014
201 HB2 HIS 30 1HB HIS 30 -5.952 2.995 -1.442
202 HB3 HIS 30 2HB HIS 30 -4.678 2.163 -0.556
203 HD1 HIS 30 HD1 HIS 30 -6.944 1.813 -3.432
204 HD2 HIS 30 HD2 HIS 30 -4.471 -0.641 -1.168
205 HE1 HIS 30 HE1 HIS 30 -6.659 -0.288 -4.785
206 H VAL 31 H VAL 31 -5.259 0.333 1.710
207 HA VAL 31 HA VAL 31 -5.986 -2.187 0.686
208 HB VAL 31 HB VAL 31 -5.155 -2.905 3.104
209 HG11 VAL 31 1HG1 VAL 31 -3.567 -1.868 0.783
210 HG12 VAL 31 2HG1 VAL 31 -2.770 -2.541 2.206
211 HG13 VAL 31 3HG1 VAL 31 -3.878 -3.537 1.261
212 HG21 VAL 31 3HG2 VAL 31 -3.550 -0.439 2.984
213 HG22 VAL 31 1HG2 VAL 31 -5.220 -0.237 3.516
214 HG23 VAL 31 2HG2 VAL 31 -4.147 -1.340 4.378
215 H LEU 32 H LEU 32 -7.585 -0.065 2.847
216 HA LEU 32 HA LEU 32 -9.073 -1.957 4.339
217 HB2 LEU 32 1HB LEU 32 -9.893 0.857 3.651
218 HB3 LEU 32 2HB LEU 32 -10.444 -0.114 5.015
219 HG LEU 32 HG LEU 32 -7.631 0.917 4.651
220 HD11 LEU 32 1HD1 LEU 32 -9.533 1.883 6.738
221 HD12 LEU 32 2HD1 LEU 32 -9.594 2.567 5.114
222 HD13 LEU 32 3HD1 LEU 32 -8.109 2.672 6.060
223 HD21 LEU 32 3HD2 LEU 32 -8.261 0.250 7.327
224 HD22 LEU 32 1HD2 LEU 32 -7.077 -0.504 6.259
225 HD23 LEU 32 2HD2 LEU 32 -8.730 -1.117 6.314
226 H ILE 33 H ILE 33 -9.308 -0.835 1.117
227 HA ILE 33 HA ILE 33 -12.055 -1.095 0.631
228 HB ILE 33 HB ILE 33 -11.527 -1.233 -1.699
229 HG12 ILE 33 1HG1 ILE 33 -8.783 -2.043 -0.743
230 HG13 ILE 33 2HG1 ILE 33 -9.876 -2.941 -1.792
231 HG21 ILE 33 1HG2 ILE 33 -9.756 0.560 -0.082
232 HG22 ILE 33 2HG2 ILE 33 -9.720 0.601 -1.844
233 HG23 ILE 33 3HG2 ILE 33 -11.218 0.957 -0.985
234 HD11 ILE 33 3HD1 ILE 33 -8.107 -0.633 -2.425
235 HD12 ILE 33 1HD1 ILE 33 -8.334 -2.153 -3.290
236 HD13 ILE 33 2HD1 ILE 33 -9.568 -0.895 -3.376
237 H HIS 34 H HIS 34 -9.432 -3.472 0.415
238 HA HIS 34 HA HIS 34 -11.181 -5.592 -0.414
239 HB2 HIS 34 1HB HIS 34 -8.466 -6.058 0.773
240 HB3 HIS 34 2HB HIS 34 -9.280 -6.938 -0.518
241 HD1 HIS 34 HD1 HIS 34 -9.197 -5.884 -2.902
242 HD2 HIS 34 HD2 HIS 34 -6.981 -3.853 -0.034
243 HE1 HIS 34 HE1 HIS 34 -7.708 -4.318 -4.188
244 H THR 35 H THR 35 -9.457 -4.798 2.594
245 HA THR 35 HA THR 35 -10.794 -6.927 4.028
246 HB THR 35 HB THR 35 -8.445 -6.330 4.545
247 HG1 THR 35 HG1 THR 35 -9.907 -5.707 6.865
248 HG21 THR 35 3HG2 THR 35 -8.173 -4.268 6.035
249 HG22 THR 35 1HG2 THR 35 -9.718 -3.734 5.374
250 HG23 THR 35 2HG2 THR 35 -8.342 -3.992 4.301
251 H GLY 36 H GLY 36 -12.592 -5.055 2.927
252 HA2 GLY 36 1HA GLY 36 -13.652 -3.816 5.392
253 HA3 GLY 36 2HA GLY 36 -13.769 -3.034 3.823
254 H SER 37 H SER 37 -15.838 -3.032 3.245
255 HA SER 37 HA SER 37 -17.811 -4.778 4.139
256 HB2 SER 37 1HB SER 37 -18.518 -2.722 3.189
257 HB3 SER 37 2HB SER 37 -17.644 -3.025 1.688
258 HG SER 37 HG SER 37 -19.131 -4.588 1.154
259 H GLY 38 H GLY 38 -18.409 -6.784 3.609
260 HA2 GLY 38 1HA GLY 38 -18.856 -8.413 1.837
261 HA3 GLY 38 2HA GLY 38 -17.332 -7.930 1.108
262 HA PRO 39 HA PRO 39 -16.957 -11.417 4.434
263 HB2 PRO 39 1HB PRO 39 -17.597 -13.641 3.014
264 HB3 PRO 39 2HB PRO 39 -18.778 -12.740 3.973
265 HG2 PRO 39 1HG PRO 39 -18.264 -12.647 1.025
266 HG3 PRO 39 2HG PRO 39 -19.812 -12.676 1.891
267 HD2 PRO 39 1HD PRO 39 -18.744 -10.398 0.889
268 HD3 PRO 39 2HD PRO 39 -19.732 -10.421 2.364
269 H SER 40 H SER 40 -14.871 -11.917 4.597
270 HA SER 40 HA SER 40 -13.221 -12.080 2.217
271 HB2 SER 40 1HB SER 40 -11.361 -11.848 3.647
272 HB3 SER 40 2HB SER 40 -12.607 -10.847 4.393
273 HG SER 40 HG SER 40 -12.973 -12.452 5.894
274 H SER 41 H SER 41 -12.529 -13.899 1.300
275 HA SER 41 HA SER 41 -13.497 -16.422 2.070
276 HB2 SER 41 1HB SER 41 -12.061 -17.319 0.315
277 HB3 SER 41 2HB SER 41 -12.831 -15.837 -0.247
278 HG SER 41 HG SER 41 -10.343 -15.607 0.986
279 H GLY 42 H GLY 42 -12.869 -17.701 3.670
280 HA2 GLY 42 1HA GLY 42 -10.315 -18.590 4.189
281 HA3 GLY 42 2HA GLY 42 -10.516 -17.166 5.199
Start of MODEL 4
1 H1 GLY 1 H GLY 1 -3.800 18.176 -13.273
2 HA2 GLY 1 1HA GLY 1 -5.561 15.979 -13.889
3 HA3 GLY 1 2HA GLY 1 -4.916 16.773 -15.318
4 H SER 2 H SER 2 -4.348 14.165 -14.986
5 HA SER 2 HA SER 2 -1.570 14.139 -14.001
6 HB2 SER 2 1HB SER 2 -3.445 12.562 -13.020
7 HB3 SER 2 2HB SER 2 -3.103 11.610 -14.465
8 HG SER 2 HG SER 2 -1.289 12.362 -12.419
9 H SER 3 H SER 3 -2.106 15.165 -16.522
10 HA SER 3 HA SER 3 -1.749 13.127 -18.521
11 HB2 SER 3 1HB SER 3 -1.581 16.144 -18.692
12 HB3 SER 3 2HB SER 3 -1.502 15.057 -20.078
13 HG SER 3 HG SER 3 -3.639 16.037 -19.358
14 H GLY 4 H GLY 4 0.165 12.085 -17.796
15 HA2 GLY 4 1HA GLY 4 2.443 12.137 -18.914
16 HA3 GLY 4 2HA GLY 4 2.623 13.689 -18.109
17 H SER 5 H SER 5 2.485 10.224 -17.678
18 HA SER 5 HA SER 5 3.320 10.538 -14.878
19 HB2 SER 5 1HB SER 5 1.323 9.102 -15.362
20 HB3 SER 5 2HB SER 5 2.381 8.017 -16.264
21 HG SER 5 HG SER 5 2.413 7.153 -14.291
22 H SER 6 H SER 6 5.480 11.125 -15.518
23 HA SER 6 HA SER 6 7.076 9.088 -16.850
24 HB2 SER 6 1HB SER 6 7.249 11.676 -17.166
25 HB3 SER 6 2HB SER 6 8.210 11.614 -15.688
26 HG SER 6 HG SER 6 9.468 9.948 -16.833
27 H GLY 7 H GLY 7 8.243 7.608 -15.815
28 HA2 GLY 7 1HA GLY 7 9.447 6.552 -14.160
29 HA3 GLY 7 2HA GLY 7 9.567 8.102 -13.340
30 H GLY 8 H GLY 8 9.331 6.672 -11.422
31 HA2 GLY 8 1HA GLY 8 6.730 6.892 -10.349
32 HA3 GLY 8 2HA GLY 8 7.007 5.229 -10.846
33 H GLU 9 H GLU 9 6.978 7.074 -8.228
34 HA GLU 9 HA GLU 9 9.020 5.444 -6.891
35 HB2 GLU 9 1HB GLU 9 9.582 7.453 -5.477
36 HB3 GLU 9 2HB GLU 9 10.116 7.541 -7.150
37 HG2 GLU 9 1HG GLU 9 8.074 8.891 -7.645
38 HG3 GLU 9 2HG GLU 9 7.755 8.930 -5.912
39 H LYS 10 H LYS 10 8.051 4.277 -5.385
40 HA LYS 10 HA LYS 10 6.285 5.487 -3.464
41 HB2 LYS 10 1HB LYS 10 5.203 3.278 -5.221
42 HB3 LYS 10 2HB LYS 10 4.370 4.041 -3.873
43 HG2 LYS 10 1HG LYS 10 4.470 6.195 -5.118
44 HG3 LYS 10 2HG LYS 10 5.124 5.307 -6.496
45 HD2 LYS 10 1HD LYS 10 3.139 4.146 -6.848
46 HD3 LYS 10 2HD LYS 10 2.559 4.448 -5.208
47 HE2 LYS 10 1HE LYS 10 1.263 5.893 -6.468
48 HE3 LYS 10 2HE LYS 10 2.577 6.937 -5.930
49 HZ1 LYS 10 3HZ LYS 10 3.560 5.984 -8.228
50 HZ2 LYS 10 1HZ LYS 10 2.706 7.439 -8.096
51 HZ3 LYS 10 2HZ LYS 10 1.910 6.034 -8.596
52 HA PRO 11 HA PRO 11 8.703 2.302 -1.407
53 HB2 PRO 11 1HB PRO 11 8.215 3.230 1.097
54 HB3 PRO 11 2HB PRO 11 9.424 3.947 0.026
55 HG2 PRO 11 1HG PRO 11 6.629 4.852 0.602
56 HG3 PRO 11 2HG PRO 11 8.111 5.816 0.464
57 HD2 PRO 11 1HD PRO 11 6.306 5.623 -1.545
58 HD3 PRO 11 2HD PRO 11 8.046 5.816 -1.840
59 H TYR 12 H TYR 12 5.452 3.353 -0.446
60 HA TYR 12 HA TYR 12 4.902 0.831 0.863
61 HB2 TYR 12 1HB TYR 12 2.970 3.075 0.266
62 HB3 TYR 12 2HB TYR 12 2.776 1.789 1.451
63 HD1 TYR 12 HD1 TYR 12 4.071 1.818 3.540
64 HD2 TYR 12 HD2 TYR 12 4.317 5.010 0.738
65 HE1 TYR 12 HE1 TYR 12 5.099 3.242 5.262
66 HE2 TYR 12 HE2 TYR 12 5.346 6.443 2.452
67 HH TYR 12 HH TYR 12 5.670 5.370 5.792
68 H LYS 13 H LYS 13 3.848 -0.863 0.025
69 HA LYS 13 HA LYS 13 2.435 -0.536 -2.528
70 HB2 LYS 13 1HB LYS 13 4.548 -1.400 -3.205
71 HB3 LYS 13 2HB LYS 13 4.572 -2.565 -1.888
72 HG2 LYS 13 1HG LYS 13 2.414 -3.475 -3.054
73 HG3 LYS 13 2HG LYS 13 3.078 -2.641 -4.461
74 HD2 LYS 13 1HD LYS 13 4.869 -4.053 -4.623
75 HD3 LYS 13 2HD LYS 13 4.901 -4.385 -2.890
76 HE2 LYS 13 1HE LYS 13 2.962 -5.816 -3.093
77 HE3 LYS 13 2HE LYS 13 2.805 -5.411 -4.801
78 HZ1 LYS 13 3HZ LYS 13 5.146 -6.358 -5.006
79 HZ2 LYS 13 1HZ LYS 13 3.879 -7.457 -4.784
80 HZ3 LYS 13 2HZ LYS 13 4.881 -7.047 -3.484
81 H CYS 14 H CYS 14 0.611 -1.750 -2.759
82 HA CYS 14 HA CYS 14 -0.373 -3.063 -0.366
83 HB2 CYS 14 1HB CYS 14 -1.943 -1.615 -1.410
84 HB3 CYS 14 2HB CYS 14 -1.647 -2.319 -2.996
85 H GLU 15 H GLU 15 0.070 -5.134 -0.033
86 HA GLU 15 HA GLU 15 0.847 -6.897 -2.156
87 HB2 GLU 15 1HB GLU 15 0.223 -7.547 0.729
88 HB3 GLU 15 2HB GLU 15 1.072 -8.583 -0.409
89 HG2 GLU 15 1HG GLU 15 2.788 -6.720 -0.590
90 HG3 GLU 15 2HG GLU 15 2.008 -6.015 0.824
91 H THR 16 H THR 16 -2.093 -6.170 -0.473
92 HA THR 16 HA THR 16 -3.554 -8.506 -0.888
93 HB THR 16 HB THR 16 -4.472 -5.632 -0.772
94 HG1 THR 16 HG1 THR 16 -3.675 -6.381 1.186
95 HG21 THR 16 3HG2 THR 16 -6.730 -6.666 -0.281
96 HG22 THR 16 1HG2 THR 16 -6.081 -8.176 -0.917
97 HG23 THR 16 2HG2 THR 16 -6.194 -6.757 -1.958
98 H CYS 17 H CYS 17 -2.932 -5.785 -3.039
99 HA CYS 17 HA CYS 17 -4.090 -7.356 -5.240
100 HB2 CYS 17 1HB CYS 17 -5.070 -5.407 -6.217
101 HB3 CYS 17 2HB CYS 17 -5.574 -5.447 -4.531
102 H GLY 18 H GLY 18 -1.823 -4.825 -4.263
103 HA2 GLY 18 1HA GLY 18 0.487 -5.181 -5.123
104 HA3 GLY 18 2HA GLY 18 -0.256 -5.423 -6.697
105 H ALA 19 H ALA 19 -1.698 -3.009 -4.757
106 HA ALA 19 HA ALA 19 -1.066 -0.962 -6.628
107 HB1 ALA 19 3HB ALA 19 -2.501 0.404 -5.423
108 HB2 ALA 19 1HB ALA 19 -3.141 -1.210 -5.107
109 HB3 ALA 19 2HB ALA 19 -2.147 -0.402 -3.894
110 H ARG 20 H ARG 20 -0.410 1.286 -5.502
111 HA ARG 20 HA ARG 20 1.789 0.976 -3.639
112 HB2 ARG 20 1HB ARG 20 2.178 1.774 -6.515
113 HB3 ARG 20 2HB ARG 20 3.298 2.288 -5.260
114 HG2 ARG 20 1HG ARG 20 3.853 0.010 -4.743
115 HG3 ARG 20 2HG ARG 20 2.616 -0.582 -5.854
116 HD2 ARG 20 1HD ARG 20 5.111 0.954 -6.564
117 HD3 ARG 20 2HD ARG 20 4.781 -0.744 -6.903
118 HE ARG 20 HE ARG 20 2.752 0.725 -8.091
119 HH11 ARG 20 1HH1 ARG 20 6.207 0.398 -8.365
120 HH12 ARG 20 2HH1 ARG 20 6.242 0.797 -10.051
121 HH21 ARG 20 1HH2 ARG 20 2.784 1.252 -10.310
122 HH22 ARG 20 2HH2 ARG 20 4.295 1.284 -11.156
123 H PHE 21 H PHE 21 2.632 3.035 -2.888
124 HA PHE 21 HA PHE 21 1.269 5.459 -3.637
125 HB2 PHE 21 1HB PHE 21 0.921 4.527 -0.790
126 HB3 PHE 21 2HB PHE 21 0.152 5.898 -1.584
127 HD1 PHE 21 HD2 PHE 21 0.363 2.187 -1.730
128 HD2 PHE 21 HD1 PHE 21 -1.966 5.670 -2.479
129 HE1 PHE 21 HE2 PHE 21 -1.566 0.770 -2.298
130 HE2 PHE 21 HE1 PHE 21 -3.900 4.258 -3.047
131 HZ PHE 21 HZ PHE 21 -3.701 1.805 -2.958
132 H VAL 22 H VAL 22 2.111 7.347 -2.498
133 HA VAL 22 HA VAL 22 4.939 7.080 -2.026
134 HB VAL 22 HB VAL 22 4.397 9.018 -3.219
135 HG11 VAL 22 1HG1 VAL 22 2.733 10.699 -2.283
136 HG12 VAL 22 2HG1 VAL 22 2.068 9.201 -2.937
137 HG13 VAL 22 3HG1 VAL 22 2.214 9.415 -1.192
138 HG21 VAL 22 3HG2 VAL 22 4.681 9.965 -0.369
139 HG22 VAL 22 1HG2 VAL 22 6.009 9.390 -1.377
140 HG23 VAL 22 2HG2 VAL 22 5.128 10.849 -1.828
141 H GLN 23 H GLN 23 2.066 7.763 -0.107
142 HA GLN 23 HA GLN 23 3.733 7.605 2.317
143 HB2 GLN 23 1HB GLN 23 1.461 9.412 1.619
144 HB3 GLN 23 2HB GLN 23 1.663 8.924 3.297
145 HG2 GLN 23 1HG GLN 23 3.958 10.059 1.756
146 HG3 GLN 23 2HG GLN 23 2.746 11.114 2.481
147 HE21 GLN 23 1HE2 GLN 23 4.140 12.021 3.951
148 HE22 GLN 23 2HE2 GLN 23 4.790 11.149 5.294
149 H VAL 24 H VAL 24 3.025 6.330 3.991
150 HA VAL 24 HA VAL 24 1.494 4.079 3.410
151 HB VAL 24 HB VAL 24 3.136 4.628 5.411
152 HG11 VAL 24 1HG1 VAL 24 1.542 6.285 6.384
153 HG12 VAL 24 2HG1 VAL 24 0.449 4.946 6.737
154 HG13 VAL 24 3HG1 VAL 24 2.038 5.013 7.500
155 HG21 VAL 24 3HG2 VAL 24 1.351 2.775 6.571
156 HG22 VAL 24 1HG2 VAL 24 1.250 2.566 4.823
157 HG23 VAL 24 2HG2 VAL 24 2.810 2.442 5.637
158 H ALA 25 H ALA 25 0.574 7.120 4.952
159 HA ALA 25 HA ALA 25 -1.927 6.529 5.914
160 HB1 ALA 25 3HB ALA 25 -1.841 8.698 6.365
161 HB2 ALA 25 1HB ALA 25 -0.476 8.885 5.264
162 HB3 ALA 25 2HB ALA 25 -2.125 9.063 4.663
163 H HIS 26 H HIS 26 -0.915 6.850 2.598
164 HA HIS 26 HA HIS 26 -3.612 6.961 1.564
165 HB2 HIS 26 1HB HIS 26 -1.090 6.433 -0.008
166 HB3 HIS 26 2HB HIS 26 -2.618 7.079 -0.601
167 HD1 HIS 26 HD1 HIS 26 -0.578 8.863 -1.429
168 HD2 HIS 26 HD2 HIS 26 -1.932 9.013 2.496
169 HE1 HIS 26 HE1 HIS 26 0.070 11.140 -0.580
170 H LEU 27 H LEU 27 -0.931 4.617 1.459
171 HA LEU 27 HA LEU 27 -2.326 2.572 0.152
172 HB2 LEU 27 1HB LEU 27 -0.007 2.344 0.232
173 HB3 LEU 27 2HB LEU 27 0.052 2.619 1.972
174 HG LEU 27 HG LEU 27 -0.928 0.399 2.346
175 HD11 LEU 27 1HD1 LEU 27 -1.244 -1.158 0.551
176 HD12 LEU 27 2HD1 LEU 27 -0.647 0.008 -0.629
177 HD13 LEU 27 3HD1 LEU 27 -2.176 0.298 0.201
178 HD21 LEU 27 3HD2 LEU 27 1.470 0.585 2.369
179 HD22 LEU 27 1HD2 LEU 27 1.537 0.463 0.610
180 HD23 LEU 27 2HD2 LEU 27 1.022 -0.924 1.571
181 H ARG 28 H ARG 28 -1.684 2.971 3.638
182 HA ARG 28 HA ARG 28 -3.157 0.783 4.530
183 HB2 ARG 28 1HB ARG 28 -3.015 1.714 6.690
184 HB3 ARG 28 2HB ARG 28 -1.575 2.281 5.856
185 HG2 ARG 28 1HG ARG 28 -2.662 4.433 5.445
186 HG3 ARG 28 2HG ARG 28 -4.099 3.863 6.296
187 HD2 ARG 28 1HD ARG 28 -2.506 3.421 8.263
188 HD3 ARG 28 2HD ARG 28 -1.369 4.450 7.393
189 HE ARG 28 HE ARG 28 -3.690 5.897 7.501
190 HH11 ARG 28 1HH1 ARG 28 -1.577 4.409 9.834
191 HH12 ARG 28 2HH1 ARG 28 -1.919 5.567 11.076
192 HH21 ARG 28 1HH2 ARG 28 -4.148 7.428 9.128
193 HH22 ARG 28 2HH2 ARG 28 -3.382 7.284 10.674
194 H ALA 29 H ALA 29 -4.219 3.801 3.277
195 HA ALA 29 HA ALA 29 -6.893 3.546 4.403
196 HB1 ALA 29 3HB ALA 29 -6.055 5.770 4.354
197 HB2 ALA 29 1HB ALA 29 -5.616 5.635 2.651
198 HB3 ALA 29 2HB ALA 29 -7.315 5.665 3.124
199 H HIS 30 H HIS 30 -5.194 2.493 1.684
200 HA HIS 30 HA HIS 30 -7.602 2.317 0.024
201 HB2 HIS 30 1HB HIS 30 -5.936 3.056 -1.380
202 HB3 HIS 30 2HB HIS 30 -4.673 2.187 -0.514
203 HD1 HIS 30 HD1 HIS 30 -7.014 1.897 -3.356
204 HD2 HIS 30 HD2 HIS 30 -4.428 -0.566 -1.233
205 HE1 HIS 30 HE1 HIS 30 -6.738 -0.165 -4.769
206 H VAL 31 H VAL 31 -5.245 0.347 1.716
207 HA VAL 31 HA VAL 31 -5.969 -2.161 0.667
208 HB VAL 31 HB VAL 31 -5.137 -2.910 3.072
209 HG11 VAL 31 1HG1 VAL 31 -3.139 -1.640 1.227
210 HG12 VAL 31 2HG1 VAL 31 -2.980 -3.113 2.186
211 HG13 VAL 31 3HG1 VAL 31 -4.032 -3.090 0.770
212 HG21 VAL 31 3HG2 VAL 31 -4.157 -1.359 4.379
213 HG22 VAL 31 1HG2 VAL 31 -3.538 -0.443 3.004
214 HG23 VAL 31 2HG2 VAL 31 -5.214 -0.240 3.517
215 H LEU 32 H LEU 32 -7.578 -0.068 2.847
216 HA LEU 32 HA LEU 32 -9.065 -1.986 4.312
217 HB2 LEU 32 1HB LEU 32 -9.880 0.840 3.669
218 HB3 LEU 32 2HB LEU 32 -10.439 -0.153 5.014
219 HG LEU 32 HG LEU 32 -7.625 0.884 4.679
220 HD11 LEU 32 1HD1 LEU 32 -9.060 1.890 6.953
221 HD12 LEU 32 2HD1 LEU 32 -9.924 2.269 5.464
222 HD13 LEU 32 3HD1 LEU 32 -8.246 2.772 5.661
223 HD21 LEU 32 3HD2 LEU 32 -8.917 -1.000 6.532
224 HD22 LEU 32 1HD2 LEU 32 -7.914 0.239 7.287
225 HD23 LEU 32 2HD2 LEU 32 -7.222 -0.837 6.073
226 H ILE 33 H ILE 33 -9.295 -0.815 1.108
227 HA ILE 33 HA ILE 33 -12.035 -1.048 0.603
228 HB ILE 33 HB ILE 33 -11.492 -1.204 -1.727
229 HG12 ILE 33 1HG1 ILE 33 -8.760 -2.020 -0.743
230 HG13 ILE 33 2HG1 ILE 33 -9.847 -2.919 -1.796
231 HG21 ILE 33 1HG2 ILE 33 -9.758 0.592 -0.082
232 HG22 ILE 33 2HG2 ILE 33 -9.650 0.615 -1.841
233 HG23 ILE 33 3HG2 ILE 33 -11.180 0.987 -1.047
234 HD11 ILE 33 3HD1 ILE 33 -9.523 -0.886 -3.390
235 HD12 ILE 33 1HD1 ILE 33 -8.070 -0.617 -2.428
236 HD13 ILE 33 2HD1 ILE 33 -8.290 -2.143 -3.285
237 H HIS 34 H HIS 34 -9.448 -3.465 0.409
238 HA HIS 34 HA HIS 34 -11.222 -5.558 -0.438
239 HB2 HIS 34 1HB HIS 34 -8.513 -6.036 0.767
240 HB3 HIS 34 2HB HIS 34 -9.338 -6.946 -0.495
241 HD1 HIS 34 HD1 HIS 34 -9.297 -5.922 -2.906
242 HD2 HIS 34 HD2 HIS 34 -6.980 -3.902 -0.111
243 HE1 HIS 34 HE1 HIS 34 -7.794 -4.414 -4.243
244 H THR 35 H THR 35 -9.551 -4.748 2.590
245 HA THR 35 HA THR 35 -10.886 -6.881 4.017
246 HB THR 35 HB THR 35 -8.570 -6.267 4.596
247 HG1 THR 35 HG1 THR 35 -10.102 -5.559 6.849
248 HG21 THR 35 3HG2 THR 35 -8.409 -3.956 4.291
249 HG22 THR 35 1HG2 THR 35 -8.368 -4.142 6.043
250 HG23 THR 35 2HG2 THR 35 -9.856 -3.633 5.245
251 H GLY 36 H GLY 36 -12.741 -5.145 2.888
252 HA2 GLY 36 1HA GLY 36 -14.722 -4.744 4.526
253 HA3 GLY 36 2HA GLY 36 -13.670 -3.464 5.110
254 H SER 37 H SER 37 -15.361 -4.653 2.239
255 HA SER 37 HA SER 37 -15.192 -1.988 1.039
256 HB2 SER 37 1HB SER 37 -14.668 -4.099 -0.283
257 HB3 SER 37 2HB SER 37 -16.391 -4.463 -0.210
258 HG SER 37 HG SER 37 -15.285 -3.058 -2.021
259 H GLY 38 H GLY 38 -16.669 -0.837 2.279
260 HA2 GLY 38 1HA GLY 38 -19.328 -1.794 2.761
261 HA3 GLY 38 2HA GLY 38 -18.731 -0.171 3.076
262 HA PRO 39 HA PRO 39 -21.759 0.189 -0.371
263 HB2 PRO 39 1HB PRO 39 -22.815 2.527 0.516
264 HB3 PRO 39 2HB PRO 39 -23.361 0.947 1.091
265 HG2 PRO 39 1HG PRO 39 -21.466 2.878 2.373
266 HG3 PRO 39 2HG PRO 39 -22.771 1.932 3.113
267 HD2 PRO 39 1HD PRO 39 -20.170 1.197 3.270
268 HD3 PRO 39 2HD PRO 39 -21.494 0.016 3.217
269 H SER 40 H SER 40 -20.906 0.920 -2.206
270 HA SER 40 HA SER 40 -18.924 3.018 -2.207
271 HB2 SER 40 1HB SER 40 -20.162 1.543 -4.544
272 HB3 SER 40 2HB SER 40 -18.709 2.542 -4.592
273 HG SER 40 HG SER 40 -18.558 0.104 -4.328
274 H SER 41 H SER 41 -21.341 3.990 -1.274
275 HA SER 41 HA SER 41 -23.063 5.471 -1.684
276 HB2 SER 41 1HB SER 41 -20.777 6.728 -1.592
277 HB3 SER 41 2HB SER 41 -21.046 6.984 -3.316
278 HG SER 41 HG SER 41 -22.008 8.694 -2.389
279 H GLY 42 H GLY 42 -23.254 3.381 -3.506
280 HA2 GLY 42 1HA GLY 42 -24.440 4.802 -5.779
281 HA3 GLY 42 2HA GLY 42 -23.279 3.528 -6.119
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -10.362 14.562 -22.050
2 HA2 GLY 1 1HA GLY 1 -9.102 14.276 -20.152
3 HA3 GLY 1 2HA GLY 1 -10.056 12.821 -19.908
4 H SER 2 H SER 2 -7.110 14.121 -21.302
5 HA SER 2 HA SER 2 -5.998 11.392 -21.306
6 HB2 SER 2 1HB SER 2 -6.370 12.540 -23.595
7 HB3 SER 2 2HB SER 2 -5.003 13.558 -23.144
8 HG SER 2 HG SER 2 -4.749 10.781 -22.906
9 H SER 3 H SER 3 -5.919 13.002 -19.052
10 HA SER 3 HA SER 3 -3.072 13.760 -18.945
11 HB2 SER 3 1HB SER 3 -4.973 15.576 -18.666
12 HB3 SER 3 2HB SER 3 -5.042 14.935 -17.025
13 HG SER 3 HG SER 3 -3.560 16.704 -17.287
14 H GLY 4 H GLY 4 -2.263 13.746 -16.588
15 HA2 GLY 4 1HA GLY 4 -3.474 12.056 -14.677
16 HA3 GLY 4 2HA GLY 4 -2.332 11.122 -15.632
17 H SER 5 H SER 5 -0.607 10.804 -14.382
18 HA SER 5 HA SER 5 0.664 13.172 -13.187
19 HB2 SER 5 1HB SER 5 -0.088 10.599 -11.880
20 HB3 SER 5 2HB SER 5 1.432 11.352 -11.398
21 HG SER 5 HG SER 5 -0.692 11.944 -10.299
22 H SER 6 H SER 6 2.990 12.786 -12.660
23 HA SER 6 HA SER 6 4.249 10.760 -14.361
24 HB2 SER 6 1HB SER 6 4.543 13.727 -14.593
25 HB3 SER 6 2HB SER 6 5.951 12.712 -14.905
26 HG SER 6 HG SER 6 4.876 11.731 -16.563
27 H GLY 7 H GLY 7 5.540 9.611 -13.093
28 HA2 GLY 7 1HA GLY 7 7.586 10.826 -11.521
29 HA3 GLY 7 2HA GLY 7 6.293 10.207 -10.505
30 H GLY 8 H GLY 8 6.425 8.152 -9.873
31 HA2 GLY 8 1HA GLY 8 6.743 5.811 -10.661
32 HA3 GLY 8 2HA GLY 8 8.238 6.378 -11.392
33 H GLU 9 H GLU 9 6.899 7.090 -8.185
34 HA GLU 9 HA GLU 9 8.980 5.478 -6.932
35 HB2 GLU 9 1HB GLU 9 9.503 7.475 -5.411
36 HB3 GLU 9 2HB GLU 9 10.187 7.485 -7.030
37 HG2 GLU 9 1HG GLU 9 8.621 9.079 -7.788
38 HG3 GLU 9 2HG GLU 9 7.626 8.892 -6.345
39 H LYS 10 H LYS 10 8.055 4.325 -5.387
40 HA LYS 10 HA LYS 10 6.262 5.513 -3.479
41 HB2 LYS 10 1HB LYS 10 5.210 3.302 -5.252
42 HB3 LYS 10 2HB LYS 10 4.363 4.047 -3.903
43 HG2 LYS 10 1HG LYS 10 4.460 6.213 -5.139
44 HG3 LYS 10 2HG LYS 10 5.109 5.327 -6.521
45 HD2 LYS 10 1HD LYS 10 3.122 4.243 -6.929
46 HD3 LYS 10 2HD LYS 10 2.584 4.373 -5.253
47 HE2 LYS 10 1HE LYS 10 1.219 5.848 -6.491
48 HE3 LYS 10 2HE LYS 10 2.388 6.863 -5.648
49 HZ1 LYS 10 3HZ LYS 10 2.039 7.475 -8.004
50 HZ2 LYS 10 1HZ LYS 10 2.682 5.980 -8.466
51 HZ3 LYS 10 2HZ LYS 10 3.649 7.098 -7.645
52 HA PRO 11 HA PRO 11 8.702 2.338 -1.426
53 HB2 PRO 11 1HB PRO 11 8.219 3.270 1.078
54 HB3 PRO 11 2HB PRO 11 9.424 3.987 0.003
55 HG2 PRO 11 1HG PRO 11 6.629 4.889 0.585
56 HG3 PRO 11 2HG PRO 11 8.110 5.854 0.441
57 HD2 PRO 11 1HD PRO 11 6.299 5.656 -1.563
58 HD3 PRO 11 2HD PRO 11 8.038 5.851 -1.863
59 H TYR 12 H TYR 12 5.453 3.388 -0.452
60 HA TYR 12 HA TYR 12 4.910 0.873 0.868
61 HB2 TYR 12 1HB TYR 12 2.980 3.115 0.249
62 HB3 TYR 12 2HB TYR 12 2.766 1.826 1.428
63 HD1 TYR 12 HD1 TYR 12 4.019 1.850 3.538
64 HD2 TYR 12 HD2 TYR 12 4.346 5.037 0.738
65 HE1 TYR 12 HE1 TYR 12 5.031 3.265 5.276
66 HE2 TYR 12 HE2 TYR 12 5.360 6.461 2.468
67 HH TYR 12 HH TYR 12 5.300 6.541 5.052
68 H LYS 13 H LYS 13 3.897 -0.842 0.029
69 HA LYS 13 HA LYS 13 2.489 -0.542 -2.533
70 HB2 LYS 13 1HB LYS 13 4.608 -1.421 -3.173
71 HB3 LYS 13 2HB LYS 13 4.612 -2.570 -1.841
72 HG2 LYS 13 1HG LYS 13 2.446 -3.460 -3.039
73 HG3 LYS 13 2HG LYS 13 3.180 -2.682 -4.443
74 HD2 LYS 13 1HD LYS 13 4.966 -4.123 -4.478
75 HD3 LYS 13 2HD LYS 13 4.874 -4.450 -2.746
76 HE2 LYS 13 1HE LYS 13 2.611 -5.329 -4.463
77 HE3 LYS 13 2HE LYS 13 4.121 -6.235 -4.554
78 HZ1 LYS 13 3HZ LYS 13 2.543 -5.717 -2.092
79 HZ2 LYS 13 1HZ LYS 13 4.019 -6.543 -2.147
80 HZ3 LYS 13 2HZ LYS 13 2.657 -7.192 -2.911
81 H CYS 14 H CYS 14 0.631 -1.684 -2.721
82 HA CYS 14 HA CYS 14 -0.381 -2.966 -0.336
83 HB2 CYS 14 1HB CYS 14 -1.938 -1.557 -1.443
84 HB3 CYS 14 2HB CYS 14 -1.598 -2.286 -3.009
85 H GLU 15 H GLU 15 0.071 -5.023 0.066
86 HA GLU 15 HA GLU 15 0.876 -6.849 -1.991
87 HB2 GLU 15 1HB GLU 15 0.220 -7.408 0.906
88 HB3 GLU 15 2HB GLU 15 1.080 -8.480 -0.189
89 HG2 GLU 15 1HG GLU 15 2.783 -6.591 -0.415
90 HG3 GLU 15 2HG GLU 15 2.003 -5.892 1.003
91 H THR 16 H THR 16 -2.086 -6.070 -0.375
92 HA THR 16 HA THR 16 -3.540 -8.422 -0.728
93 HB THR 16 HB THR 16 -4.451 -5.545 -0.709
94 HG1 THR 16 HG1 THR 16 -3.837 -6.097 1.309
95 HG21 THR 16 3HG2 THR 16 -6.049 -8.083 -0.911
96 HG22 THR 16 1HG2 THR 16 -6.182 -6.618 -1.882
97 HG23 THR 16 2HG2 THR 16 -6.723 -6.615 -0.203
98 H CYS 17 H CYS 17 -2.891 -5.775 -2.962
99 HA CYS 17 HA CYS 17 -4.004 -7.427 -5.127
100 HB2 CYS 17 1HB CYS 17 -4.970 -5.501 -6.191
101 HB3 CYS 17 2HB CYS 17 -5.542 -5.543 -4.526
102 H GLY 18 H GLY 18 -1.789 -4.831 -4.200
103 HA2 GLY 18 1HA GLY 18 0.539 -5.206 -5.028
104 HA3 GLY 18 2HA GLY 18 -0.191 -5.462 -6.606
105 H ALA 19 H ALA 19 -1.693 -3.043 -4.741
106 HA ALA 19 HA ALA 19 -1.045 -1.009 -6.609
107 HB1 ALA 19 3HB ALA 19 -2.545 0.311 -5.487
108 HB2 ALA 19 1HB ALA 19 -3.099 -1.291 -5.000
109 HB3 ALA 19 2HB ALA 19 -2.100 -0.333 -3.907
110 H ARG 20 H ARG 20 -0.399 1.252 -5.505
111 HA ARG 20 HA ARG 20 1.801 0.965 -3.637
112 HB2 ARG 20 1HB ARG 20 2.179 1.725 -6.522
113 HB3 ARG 20 2HB ARG 20 3.286 2.296 -5.281
114 HG2 ARG 20 1HG ARG 20 3.948 0.078 -4.736
115 HG3 ARG 20 2HG ARG 20 2.668 -0.610 -5.736
116 HD2 ARG 20 1HD ARG 20 5.007 1.015 -6.730
117 HD3 ARG 20 2HD ARG 20 4.850 -0.738 -6.840
118 HE ARG 20 HE ARG 20 3.603 1.220 -8.527
119 HH11 ARG 20 1HH1 ARG 20 3.371 -2.013 -7.257
120 HH12 ARG 20 2HH1 ARG 20 2.401 -2.598 -8.567
121 HH21 ARG 20 1HH2 ARG 20 2.326 0.461 -10.258
122 HH22 ARG 20 2HH2 ARG 20 1.807 -1.190 -10.274
123 H PHE 21 H PHE 21 2.633 3.033 -2.898
124 HA PHE 21 HA PHE 21 1.253 5.445 -3.657
125 HB2 PHE 21 1HB PHE 21 0.915 4.523 -0.805
126 HB3 PHE 21 2HB PHE 21 0.139 5.887 -1.603
127 HD1 PHE 21 HD2 PHE 21 0.367 2.178 -1.734
128 HD2 PHE 21 HD1 PHE 21 -1.979 5.646 -2.496
129 HE1 PHE 21 HE2 PHE 21 -1.556 0.749 -2.293
130 HE2 PHE 21 HE1 PHE 21 -3.907 4.223 -3.055
131 HZ PHE 21 HZ PHE 21 -3.696 1.771 -2.955
132 H VAL 22 H VAL 22 2.084 7.344 -2.527
133 HA VAL 22 HA VAL 22 4.915 7.103 -2.066
134 HB VAL 22 HB VAL 22 4.342 9.037 -3.254
135 HG11 VAL 22 1HG1 VAL 22 2.676 10.703 -2.302
136 HG12 VAL 22 2HG1 VAL 22 2.012 9.196 -2.938
137 HG13 VAL 22 3HG1 VAL 22 2.184 9.420 -1.196
138 HG21 VAL 22 3HG2 VAL 22 5.127 10.847 -1.904
139 HG22 VAL 22 1HG2 VAL 22 4.620 10.034 -0.424
140 HG23 VAL 22 2HG2 VAL 22 5.957 9.384 -1.373
141 H GLN 23 H GLN 23 2.048 7.755 -0.128
142 HA GLN 23 HA GLN 23 3.730 7.594 2.285
143 HB2 GLN 23 1HB GLN 23 1.476 9.422 1.596
144 HB3 GLN 23 2HB GLN 23 1.652 8.914 3.271
145 HG2 GLN 23 1HG GLN 23 4.050 9.952 1.864
146 HG3 GLN 23 2HG GLN 23 2.800 11.097 2.348
147 HE21 GLN 23 1HE2 GLN 23 5.115 8.735 3.472
148 HE22 GLN 23 2HE2 GLN 23 5.166 9.277 5.112
149 H VAL 24 H VAL 24 2.995 6.353 3.988
150 HA VAL 24 HA VAL 24 1.478 4.089 3.410
151 HB VAL 24 HB VAL 24 3.098 4.667 5.424
152 HG11 VAL 24 1HG1 VAL 24 1.912 4.989 7.513
153 HG12 VAL 24 2HG1 VAL 24 1.559 6.319 6.409
154 HG13 VAL 24 3HG1 VAL 24 0.370 5.040 6.659
155 HG21 VAL 24 3HG2 VAL 24 1.242 2.583 4.826
156 HG22 VAL 24 1HG2 VAL 24 2.786 2.483 5.672
157 HG23 VAL 24 2HG2 VAL 24 1.306 2.809 6.574
158 H ALA 25 H ALA 25 0.539 7.108 5.005
159 HA ALA 25 HA ALA 25 -1.973 6.520 5.909
160 HB1 ALA 25 3HB ALA 25 -2.032 8.704 6.308
161 HB2 ALA 25 1HB ALA 25 -0.506 8.849 5.434
162 HB3 ALA 25 2HB ALA 25 -2.035 9.074 4.584
163 H HIS 26 H HIS 26 -0.920 6.819 2.610
164 HA HIS 26 HA HIS 26 -3.609 6.943 1.546
165 HB2 HIS 26 1HB HIS 26 -1.078 6.419 -0.010
166 HB3 HIS 26 2HB HIS 26 -2.597 7.086 -0.603
167 HD1 HIS 26 HD1 HIS 26 -0.560 8.870 -1.411
168 HD2 HIS 26 HD2 HIS 26 -1.884 8.969 2.526
169 HE1 HIS 26 HE1 HIS 26 0.111 11.129 -0.532
170 H LEU 27 H LEU 27 -0.924 4.604 1.490
171 HA LEU 27 HA LEU 27 -2.310 2.559 0.158
172 HB2 LEU 27 1HB LEU 27 0.008 2.336 0.228
173 HB3 LEU 27 2HB LEU 27 0.075 2.616 1.967
174 HG LEU 27 HG LEU 27 -0.891 0.394 2.354
175 HD11 LEU 27 1HD1 LEU 27 -2.149 0.289 0.210
176 HD12 LEU 27 2HD1 LEU 27 -1.227 -1.169 0.574
177 HD13 LEU 27 3HD1 LEU 27 -0.622 -0.019 -0.618
178 HD21 LEU 27 3HD2 LEU 27 1.506 0.588 2.358
179 HD22 LEU 27 1HD2 LEU 27 1.561 0.463 0.600
180 HD23 LEU 27 2HD2 LEU 27 1.059 -0.924 1.567
181 H ARG 28 H ARG 28 -1.659 2.950 3.643
182 HA ARG 28 HA ARG 28 -3.134 0.752 4.522
183 HB2 ARG 28 1HB ARG 28 -2.971 1.661 6.694
184 HB3 ARG 28 2HB ARG 28 -1.527 2.212 5.855
185 HG2 ARG 28 1HG ARG 28 -2.651 4.377 5.434
186 HG3 ARG 28 2HG ARG 28 -4.016 3.813 6.401
187 HD2 ARG 28 1HD ARG 28 -1.185 3.972 7.419
188 HD3 ARG 28 2HD ARG 28 -2.374 5.257 7.626
189 HE ARG 28 HE ARG 28 -3.627 3.082 8.636
190 HH11 ARG 28 1HH1 ARG 28 -0.517 4.539 9.208
191 HH12 ARG 28 2HH1 ARG 28 -0.436 4.029 10.862
192 HH21 ARG 28 1HH2 ARG 28 -3.532 2.405 10.813
193 HH22 ARG 28 2HH2 ARG 28 -2.152 2.815 11.773
194 H ALA 29 H ALA 29 -4.189 3.758 3.266
195 HA ALA 29 HA ALA 29 -6.852 3.527 4.432
196 HB1 ALA 29 3HB ALA 29 -7.287 5.665 3.258
197 HB2 ALA 29 1HB ALA 29 -5.916 5.743 4.365
198 HB3 ALA 29 2HB ALA 29 -5.642 5.616 2.627
199 H HIS 30 H HIS 30 -5.184 2.483 1.689
200 HA HIS 30 HA HIS 30 -7.607 2.335 0.050
201 HB2 HIS 30 1HB HIS 30 -5.955 3.071 -1.369
202 HB3 HIS 30 2HB HIS 30 -4.684 2.201 -0.514
203 HD1 HIS 30 HD1 HIS 30 -7.031 1.924 -3.349
204 HD2 HIS 30 HD2 HIS 30 -4.460 -0.559 -1.232
205 HE1 HIS 30 HE1 HIS 30 -6.769 -0.137 -4.766
206 H VAL 31 H VAL 31 -5.255 0.340 1.715
207 HA VAL 31 HA VAL 31 -5.991 -2.157 0.651
208 HB VAL 31 HB VAL 31 -5.165 -2.927 3.050
209 HG11 VAL 31 1HG1 VAL 31 -3.069 -1.665 1.346
210 HG12 VAL 31 2HG1 VAL 31 -3.092 -3.254 2.115
211 HG13 VAL 31 3HG1 VAL 31 -4.063 -2.956 0.672
212 HG21 VAL 31 3HG2 VAL 31 -5.228 -0.257 3.510
213 HG22 VAL 31 1HG2 VAL 31 -4.187 -1.390 4.372
214 HG23 VAL 31 2HG2 VAL 31 -3.551 -0.470 3.009
215 H LEU 32 H LEU 32 -7.585 -0.075 2.856
216 HA LEU 32 HA LEU 32 -9.083 -1.992 4.305
217 HB2 LEU 32 1HB LEU 32 -9.901 0.835 3.673
218 HB3 LEU 32 2HB LEU 32 -10.446 -0.161 5.021
219 HG LEU 32 HG LEU 32 -7.621 0.839 4.674
220 HD11 LEU 32 1HD1 LEU 32 -8.130 2.730 5.750
221 HD12 LEU 32 2HD1 LEU 32 -9.231 1.914 6.861
222 HD13 LEU 32 3HD1 LEU 32 -9.790 2.393 5.258
223 HD21 LEU 32 3HD2 LEU 32 -8.917 -0.229 7.163
224 HD22 LEU 32 1HD2 LEU 32 -7.203 0.009 6.825
225 HD23 LEU 32 2HD2 LEU 32 -8.090 -1.282 6.014
226 H ILE 33 H ILE 33 -9.328 -0.766 1.112
227 HA ILE 33 HA ILE 33 -12.058 -0.995 0.599
228 HB ILE 33 HB ILE 33 -11.510 -1.166 -1.732
229 HG12 ILE 33 1HG1 ILE 33 -8.787 -1.993 -0.734
230 HG13 ILE 33 2HG1 ILE 33 -9.872 -2.887 -1.793
231 HG21 ILE 33 1HG2 ILE 33 -9.669 0.648 -1.851
232 HG22 ILE 33 2HG2 ILE 33 -11.193 1.025 -1.048
233 HG23 ILE 33 3HG2 ILE 33 -9.768 0.627 -0.090
234 HD11 ILE 33 3HD1 ILE 33 -9.536 -0.936 -3.428
235 HD12 ILE 33 1HD1 ILE 33 -8.145 -0.531 -2.422
236 HD13 ILE 33 2HD1 ILE 33 -8.229 -2.101 -3.221
237 H HIS 34 H HIS 34 -9.494 -3.439 0.388
238 HA HIS 34 HA HIS 34 -11.265 -5.515 -0.475
239 HB2 HIS 34 1HB HIS 34 -8.598 -6.007 0.821
240 HB3 HIS 34 2HB HIS 34 -9.395 -6.930 -0.450
241 HD1 HIS 34 HD1 HIS 34 -9.264 -5.956 -2.874
242 HD2 HIS 34 HD2 HIS 34 -7.037 -3.885 -0.044
243 HE1 HIS 34 HE1 HIS 34 -7.714 -4.476 -4.190
244 H THR 35 H THR 35 -9.595 -4.832 2.595
245 HA THR 35 HA THR 35 -11.088 -6.889 3.970
246 HB THR 35 HB THR 35 -8.723 -6.373 4.556
247 HG1 THR 35 HG1 THR 35 -9.094 -6.763 6.683
248 HG21 THR 35 3HG2 THR 35 -8.826 -4.281 6.294
249 HG22 THR 35 1HG2 THR 35 -9.903 -3.720 5.015
250 HG23 THR 35 2HG2 THR 35 -8.241 -4.172 4.634
251 H GLY 36 H GLY 36 -12.738 -4.896 2.811
252 HA2 GLY 36 1HA GLY 36 -13.812 -3.601 5.242
253 HA3 GLY 36 2HA GLY 36 -13.884 -2.857 3.651
254 H SER 37 H SER 37 -16.163 -3.151 5.149
255 HA SER 37 HA SER 37 -17.584 -5.314 3.736
256 HB2 SER 37 1HB SER 37 -19.203 -5.273 5.648
257 HB3 SER 37 2HB SER 37 -17.580 -5.790 6.105
258 HG SER 37 HG SER 37 -18.687 -4.152 7.473
259 H GLY 38 H GLY 38 -19.635 -4.866 2.892
260 HA2 GLY 38 1HA GLY 38 -21.220 -2.665 3.187
261 HA3 GLY 38 2HA GLY 38 -19.993 -2.142 2.043
262 HA PRO 39 HA PRO 39 -23.535 -4.225 -0.204
263 HB2 PRO 39 1HB PRO 39 -24.102 -2.127 -1.832
264 HB3 PRO 39 2HB PRO 39 -24.835 -2.331 -0.236
265 HG2 PRO 39 1HG PRO 39 -22.531 -0.604 -1.056
266 HG3 PRO 39 2HG PRO 39 -23.889 -0.222 0.019
267 HD2 PRO 39 1HD PRO 39 -21.439 -0.898 0.952
268 HD3 PRO 39 2HD PRO 39 -22.935 -1.304 1.816
269 H SER 40 H SER 40 -20.561 -2.692 -0.952
270 HA SER 40 HA SER 40 -20.343 -2.876 -3.686
271 HB2 SER 40 1HB SER 40 -17.947 -3.012 -3.382
272 HB3 SER 40 2HB SER 40 -18.608 -1.951 -2.137
273 HG SER 40 HG SER 40 -18.165 -4.707 -1.688
274 H SER 41 H SER 41 -20.971 -4.541 -4.897
275 HA SER 41 HA SER 41 -19.594 -7.014 -4.825
276 HB2 SER 41 1HB SER 41 -21.242 -8.517 -4.056
277 HB3 SER 41 2HB SER 41 -21.266 -7.204 -2.879
278 HG SER 41 HG SER 41 -23.158 -7.921 -4.793
279 H GLY 42 H GLY 42 -20.639 -8.625 -6.392
280 HA2 GLY 42 1HA GLY 42 -22.595 -7.885 -8.239
281 HA3 GLY 42 2HA GLY 42 -21.055 -7.310 -8.861
Start of MODEL 6
1 H1 GLY 1 H GLY 1 0.467 1.783 -26.662
2 HA2 GLY 1 1HA GLY 1 3.015 0.739 -26.041
3 HA3 GLY 1 2HA GLY 1 2.677 2.392 -26.534
4 H SER 2 H SER 2 4.173 0.754 -24.238
5 HA SER 2 HA SER 2 4.802 1.139 -22.084
6 HB2 SER 2 1HB SER 2 5.440 3.321 -23.125
7 HB3 SER 2 2HB SER 2 3.874 3.967 -22.635
8 HG SER 2 HG SER 2 4.586 3.219 -20.438
9 H SER 3 H SER 3 2.269 0.049 -22.341
10 HA SER 3 HA SER 3 0.492 1.498 -20.554
11 HB2 SER 3 1HB SER 3 -1.065 -0.404 -20.980
12 HB3 SER 3 2HB SER 3 -0.526 0.392 -22.458
13 HG SER 3 HG SER 3 -0.462 -1.961 -22.479
14 H GLY 4 H GLY 4 2.880 0.808 -19.318
15 HA2 GLY 4 1HA GLY 4 1.884 -1.064 -17.283
16 HA3 GLY 4 2HA GLY 4 3.475 -1.335 -17.979
17 H SER 5 H SER 5 1.943 1.738 -17.108
18 HA SER 5 HA SER 5 2.913 3.516 -15.992
19 HB2 SER 5 1HB SER 5 3.015 1.386 -13.844
20 HB3 SER 5 2HB SER 5 2.912 3.128 -13.593
21 HG SER 5 HG SER 5 0.857 3.115 -14.440
22 H SER 6 H SER 6 4.876 2.351 -17.545
23 HA SER 6 HA SER 6 7.166 1.365 -16.555
24 HB2 SER 6 1HB SER 6 6.639 2.340 -18.915
25 HB3 SER 6 2HB SER 6 7.368 3.815 -18.282
26 HG SER 6 HG SER 6 8.629 1.276 -18.229
27 H GLY 7 H GLY 7 7.976 1.782 -14.587
28 HA2 GLY 7 1HA GLY 7 9.515 3.081 -13.308
29 HA3 GLY 7 2HA GLY 7 8.866 4.531 -14.059
30 H GLY 8 H GLY 8 8.580 5.521 -12.028
31 HA2 GLY 8 1HA GLY 8 6.659 6.185 -10.695
32 HA3 GLY 8 2HA GLY 8 6.236 4.484 -10.564
33 H GLU 9 H GLU 9 6.947 6.749 -8.608
34 HA GLU 9 HA GLU 9 8.951 5.221 -7.078
35 HB2 GLU 9 1HB GLU 9 9.561 7.358 -5.989
36 HB3 GLU 9 2HB GLU 9 9.863 7.367 -7.721
37 HG2 GLU 9 1HG GLU 9 7.561 8.485 -7.911
38 HG3 GLU 9 2HG GLU 9 7.722 8.781 -6.180
39 H LYS 10 H LYS 10 7.968 4.121 -5.520
40 HA LYS 10 HA LYS 10 6.367 5.478 -3.565
41 HB2 LYS 10 1HB LYS 10 5.064 3.280 -5.181
42 HB3 LYS 10 2HB LYS 10 4.356 4.122 -3.808
43 HG2 LYS 10 1HG LYS 10 4.420 6.221 -5.093
44 HG3 LYS 10 2HG LYS 10 5.058 5.329 -6.477
45 HD2 LYS 10 1HD LYS 10 3.063 4.194 -6.825
46 HD3 LYS 10 2HD LYS 10 2.504 4.468 -5.173
47 HE2 LYS 10 1HE LYS 10 1.194 5.934 -6.394
48 HE3 LYS 10 2HE LYS 10 2.512 6.969 -5.848
49 HZ1 LYS 10 3HZ LYS 10 1.853 7.142 -8.267
50 HZ2 LYS 10 1HZ LYS 10 2.562 5.621 -8.482
51 HZ3 LYS 10 2HZ LYS 10 3.501 6.925 -7.955
52 HA PRO 11 HA PRO 11 8.674 2.267 -1.460
53 HB2 PRO 11 1HB PRO 11 8.170 3.204 1.038
54 HB3 PRO 11 2HB PRO 11 9.390 3.914 -0.027
55 HG2 PRO 11 1HG PRO 11 6.594 4.830 0.527
56 HG3 PRO 11 2HG PRO 11 8.080 5.788 0.397
57 HD2 PRO 11 1HD PRO 11 6.288 5.596 -1.624
58 HD3 PRO 11 2HD PRO 11 8.031 5.782 -1.908
59 H TYR 12 H TYR 12 5.450 3.353 -0.418
60 HA TYR 12 HA TYR 12 4.877 0.826 0.853
61 HB2 TYR 12 1HB TYR 12 2.956 3.081 0.258
62 HB3 TYR 12 2HB TYR 12 2.756 1.796 1.443
63 HD1 TYR 12 HD1 TYR 12 3.995 1.839 3.549
64 HD2 TYR 12 HD2 TYR 12 4.372 4.987 0.712
65 HE1 TYR 12 HE1 TYR 12 5.033 3.257 5.270
66 HE2 TYR 12 HE2 TYR 12 5.412 6.414 2.425
67 HH TYR 12 HH TYR 12 6.578 5.235 5.339
68 H LYS 13 H LYS 13 3.850 -0.872 0.000
69 HA LYS 13 HA LYS 13 2.398 -0.536 -2.529
70 HB2 LYS 13 1HB LYS 13 4.516 -1.354 -3.248
71 HB3 LYS 13 2HB LYS 13 4.576 -2.540 -1.950
72 HG2 LYS 13 1HG LYS 13 2.403 -3.445 -3.113
73 HG3 LYS 13 2HG LYS 13 3.070 -2.602 -4.513
74 HD2 LYS 13 1HD LYS 13 4.861 -4.012 -4.680
75 HD3 LYS 13 2HD LYS 13 4.890 -4.356 -2.948
76 HE2 LYS 13 1HE LYS 13 2.654 -5.569 -3.386
77 HE3 LYS 13 2HE LYS 13 3.139 -5.530 -5.080
78 HZ1 LYS 13 3HZ LYS 13 3.816 -7.590 -4.039
79 HZ2 LYS 13 1HZ LYS 13 4.686 -6.749 -2.857
80 HZ3 LYS 13 2HZ LYS 13 5.180 -6.689 -4.473
81 H CYS 14 H CYS 14 0.552 -1.698 -2.690
82 HA CYS 14 HA CYS 14 -0.349 -3.093 -0.319
83 HB2 CYS 14 1HB CYS 14 -1.847 -1.527 -1.495
84 HB3 CYS 14 2HB CYS 14 -1.780 -2.547 -2.929
85 H GLU 15 H GLU 15 0.103 -5.168 -0.035
86 HA GLU 15 HA GLU 15 0.875 -6.883 -2.193
87 HB2 GLU 15 1HB GLU 15 0.242 -7.597 0.675
88 HB3 GLU 15 2HB GLU 15 1.094 -8.608 -0.482
89 HG2 GLU 15 1HG GLU 15 2.790 -6.700 -0.619
90 HG3 GLU 15 2HG GLU 15 2.025 -6.093 0.849
91 H THR 16 H THR 16 -2.071 -6.210 -0.492
92 HA THR 16 HA THR 16 -3.530 -8.531 -0.959
93 HB THR 16 HB THR 16 -4.460 -5.660 -0.834
94 HG1 THR 16 HG1 THR 16 -4.987 -6.232 1.284
95 HG21 THR 16 3HG2 THR 16 -6.709 -6.725 -0.332
96 HG22 THR 16 1HG2 THR 16 -6.043 -8.218 -0.993
97 HG23 THR 16 2HG2 THR 16 -6.179 -6.786 -2.013
98 H CYS 17 H CYS 17 -3.076 -5.694 -3.036
99 HA CYS 17 HA CYS 17 -4.166 -7.270 -5.276
100 HB2 CYS 17 1HB CYS 17 -5.096 -5.273 -6.237
101 HB3 CYS 17 2HB CYS 17 -5.646 -5.377 -4.568
102 H GLY 18 H GLY 18 -1.868 -4.781 -4.265
103 HA2 GLY 18 1HA GLY 18 0.436 -5.143 -5.130
104 HA3 GLY 18 2HA GLY 18 -0.307 -5.368 -6.707
105 H ALA 19 H ALA 19 -1.752 -2.959 -4.774
106 HA ALA 19 HA ALA 19 -1.078 -0.904 -6.624
107 HB1 ALA 19 3HB ALA 19 -2.403 -0.743 -3.920
108 HB2 ALA 19 1HB ALA 19 -2.301 0.580 -5.082
109 HB3 ALA 19 2HB ALA 19 -3.209 -0.878 -5.483
110 H ARG 20 H ARG 20 -0.393 1.325 -5.540
111 HA ARG 20 HA ARG 20 1.761 0.996 -3.619
112 HB2 ARG 20 1HB ARG 20 2.192 1.796 -6.486
113 HB3 ARG 20 2HB ARG 20 3.291 2.321 -5.218
114 HG2 ARG 20 1HG ARG 20 3.992 0.136 -4.761
115 HG3 ARG 20 2HG ARG 20 2.626 -0.573 -5.625
116 HD2 ARG 20 1HD ARG 20 4.936 0.941 -6.837
117 HD3 ARG 20 2HD ARG 20 4.651 -0.796 -6.937
118 HE ARG 20 HE ARG 20 2.434 0.629 -7.963
119 HH11 ARG 20 1HH1 ARG 20 5.710 -0.263 -8.729
120 HH12 ARG 20 2HH1 ARG 20 5.460 -0.217 -10.443
121 HH21 ARG 20 1HH2 ARG 20 2.092 0.693 -10.217
122 HH22 ARG 20 2HH2 ARG 20 3.402 0.328 -11.288
123 H PHE 21 H PHE 21 2.619 3.055 -2.862
124 HA PHE 21 HA PHE 21 1.257 5.482 -3.603
125 HB2 PHE 21 1HB PHE 21 0.914 4.539 -0.759
126 HB3 PHE 21 2HB PHE 21 0.148 5.916 -1.543
127 HD1 PHE 21 HD2 PHE 21 0.347 2.206 -1.707
128 HD2 PHE 21 HD1 PHE 21 -1.972 5.700 -2.438
129 HE1 PHE 21 HE2 PHE 21 -1.588 0.798 -2.278
130 HE2 PHE 21 HE1 PHE 21 -3.911 4.297 -3.009
131 HZ PHE 21 HZ PHE 21 -3.721 1.843 -2.931
132 H VAL 22 H VAL 22 2.119 7.368 -2.502
133 HA VAL 22 HA VAL 22 4.942 7.107 -2.036
134 HB VAL 22 HB VAL 22 4.355 9.055 -3.205
135 HG11 VAL 22 1HG1 VAL 22 2.035 9.235 -2.837
136 HG12 VAL 22 2HG1 VAL 22 2.247 9.441 -1.097
137 HG13 VAL 22 3HG1 VAL 22 2.728 10.727 -2.204
138 HG21 VAL 22 3HG2 VAL 22 5.116 10.875 -1.795
139 HG22 VAL 22 1HG2 VAL 22 4.754 9.935 -0.347
140 HG23 VAL 22 2HG2 VAL 22 6.038 9.414 -1.439
141 H GLN 23 H GLN 23 2.089 7.768 -0.077
142 HA GLN 23 HA GLN 23 3.782 7.562 2.326
143 HB2 GLN 23 1HB GLN 23 1.531 9.412 1.676
144 HB3 GLN 23 2HB GLN 23 1.737 8.896 3.345
145 HG2 GLN 23 1HG GLN 23 4.058 9.995 1.826
146 HG3 GLN 23 2HG GLN 23 2.854 11.082 2.516
147 HE21 GLN 23 1HE2 GLN 23 4.256 11.975 3.993
148 HE22 GLN 23 2HE2 GLN 23 4.856 11.106 5.361
149 H VAL 24 H VAL 24 3.031 6.326 4.031
150 HA VAL 24 HA VAL 24 1.500 4.075 3.438
151 HB VAL 24 HB VAL 24 3.121 4.625 5.456
152 HG11 VAL 24 1HG1 VAL 24 1.583 6.295 6.432
153 HG12 VAL 24 2HG1 VAL 24 0.404 5.011 6.708
154 HG13 VAL 24 3HG1 VAL 24 1.959 4.977 7.542
155 HG21 VAL 24 3HG2 VAL 24 1.228 2.569 4.859
156 HG22 VAL 24 1HG2 VAL 24 2.781 2.443 5.686
157 HG23 VAL 24 2HG2 VAL 24 1.317 2.787 6.607
158 H ALA 25 H ALA 25 0.577 7.122 4.970
159 HA ALA 25 HA ALA 25 -1.939 6.546 5.899
160 HB1 ALA 25 3HB ALA 25 -0.469 8.833 5.560
161 HB2 ALA 25 1HB ALA 25 -1.846 9.102 4.491
162 HB3 ALA 25 2HB ALA 25 -2.110 8.755 6.201
163 H HIS 26 H HIS 26 -0.882 6.843 2.597
164 HA HIS 26 HA HIS 26 -3.566 6.973 1.528
165 HB2 HIS 26 1HB HIS 26 -1.033 6.421 -0.016
166 HB3 HIS 26 2HB HIS 26 -2.547 7.087 -0.622
167 HD1 HIS 26 HD1 HIS 26 -0.469 8.843 -1.425
168 HD2 HIS 26 HD2 HIS 26 -1.874 9.011 2.481
169 HE1 HIS 26 HE1 HIS 26 0.198 11.111 -0.568
170 H LEU 27 H LEU 27 -0.902 4.610 1.488
171 HA LEU 27 HA LEU 27 -2.298 2.570 0.164
172 HB2 LEU 27 1HB LEU 27 0.020 2.332 0.258
173 HB3 LEU 27 2HB LEU 27 0.069 2.609 1.997
174 HG LEU 27 HG LEU 27 -0.947 0.392 2.354
175 HD11 LEU 27 1HD1 LEU 27 -0.565 -0.011 -0.606
176 HD12 LEU 27 2HD1 LEU 27 -2.121 0.297 0.164
177 HD13 LEU 27 3HD1 LEU 27 -1.217 -1.165 0.557
178 HD21 LEU 27 3HD2 LEU 27 1.022 -0.926 1.708
179 HD22 LEU 27 1HD2 LEU 27 1.468 0.625 2.418
180 HD23 LEU 27 2HD2 LEU 27 1.557 0.397 0.671
181 H ARG 28 H ARG 28 -1.668 2.970 3.652
182 HA ARG 28 HA ARG 28 -3.163 0.795 4.538
183 HB2 ARG 28 1HB ARG 28 -3.019 1.724 6.700
184 HB3 ARG 28 2HB ARG 28 -1.570 2.276 5.870
185 HG2 ARG 28 1HG ARG 28 -2.623 4.441 5.462
186 HG3 ARG 28 2HG ARG 28 -4.080 3.886 6.289
187 HD2 ARG 28 1HD ARG 28 -1.450 3.745 7.693
188 HD3 ARG 28 2HD ARG 28 -2.276 5.297 7.561
189 HE ARG 28 HE ARG 28 -2.954 3.157 9.297
190 HH11 ARG 28 1HH1 ARG 28 -4.344 5.694 7.360
191 HH12 ARG 28 2HH1 ARG 28 -5.769 5.837 8.336
192 HH21 ARG 28 1HH2 ARG 28 -4.825 3.335 10.589
193 HH22 ARG 28 2HH2 ARG 28 -6.041 4.495 10.173
194 H ALA 29 H ALA 29 -4.203 3.765 3.207
195 HA ALA 29 HA ALA 29 -6.876 3.571 4.358
196 HB1 ALA 29 3HB ALA 29 -6.426 5.790 4.297
197 HB2 ALA 29 1HB ALA 29 -5.351 5.648 2.906
198 HB3 ALA 29 2HB ALA 29 -7.100 5.633 2.675
199 H HIS 30 H HIS 30 -5.185 2.464 1.651
200 HA HIS 30 HA HIS 30 -7.597 2.274 -0.001
201 HB2 HIS 30 1HB HIS 30 -5.937 2.977 -1.426
202 HB3 HIS 30 2HB HIS 30 -4.670 2.132 -0.541
203 HD1 HIS 30 HD1 HIS 30 -6.952 1.801 -3.410
204 HD2 HIS 30 HD2 HIS 30 -4.478 -0.667 -1.163
205 HE1 HIS 30 HE1 HIS 30 -6.685 -0.300 -4.768
206 H VAL 31 H VAL 31 -5.252 0.320 1.724
207 HA VAL 31 HA VAL 31 -5.982 -2.201 0.714
208 HB VAL 31 HB VAL 31 -5.170 -2.902 3.148
209 HG11 VAL 31 1HG1 VAL 31 -2.801 -2.659 2.276
210 HG12 VAL 31 2HG1 VAL 31 -3.933 -3.530 1.240
211 HG13 VAL 31 3HG1 VAL 31 -3.506 -1.858 0.872
212 HG21 VAL 31 3HG2 VAL 31 -3.551 -0.445 2.995
213 HG22 VAL 31 1HG2 VAL 31 -5.217 -0.234 3.532
214 HG23 VAL 31 2HG2 VAL 31 -4.143 -1.330 4.400
215 H LEU 32 H LEU 32 -7.605 -0.064 2.833
216 HA LEU 32 HA LEU 32 -9.104 -1.956 4.326
217 HB2 LEU 32 1HB LEU 32 -9.912 0.862 3.644
218 HB3 LEU 32 2HB LEU 32 -10.461 -0.109 5.009
219 HG LEU 32 HG LEU 32 -7.635 0.884 4.647
220 HD11 LEU 32 1HD1 LEU 32 -9.153 2.756 4.959
221 HD12 LEU 32 2HD1 LEU 32 -8.180 2.497 6.405
222 HD13 LEU 32 3HD1 LEU 32 -9.861 1.967 6.368
223 HD21 LEU 32 3HD2 LEU 32 -8.664 0.118 7.290
224 HD22 LEU 32 1HD2 LEU 32 -7.097 -0.195 6.543
225 HD23 LEU 32 2HD2 LEU 32 -8.483 -1.209 6.143
226 H ILE 33 H ILE 33 -9.298 -0.850 1.103
227 HA ILE 33 HA ILE 33 -12.047 -1.077 0.596
228 HB ILE 33 HB ILE 33 -11.501 -1.226 -1.730
229 HG12 ILE 33 1HG1 ILE 33 -8.771 -2.052 -0.750
230 HG13 ILE 33 2HG1 ILE 33 -9.862 -2.946 -1.803
231 HG21 ILE 33 1HG2 ILE 33 -9.757 0.563 -0.087
232 HG22 ILE 33 2HG2 ILE 33 -9.657 0.588 -1.847
233 HG23 ILE 33 3HG2 ILE 33 -11.182 0.964 -1.045
234 HD11 ILE 33 3HD1 ILE 33 -9.540 -0.985 -3.434
235 HD12 ILE 33 1HD1 ILE 33 -8.137 -0.592 -2.440
236 HD13 ILE 33 2HD1 ILE 33 -8.236 -2.158 -3.246
237 H HIS 34 H HIS 34 -9.453 -3.481 0.507
238 HA HIS 34 HA HIS 34 -11.222 -5.588 -0.357
239 HB2 HIS 34 1HB HIS 34 -8.514 -6.093 0.822
240 HB3 HIS 34 2HB HIS 34 -9.336 -6.943 -0.483
241 HD1 HIS 34 HD1 HIS 34 -9.200 -5.889 -2.854
242 HD2 HIS 34 HD2 HIS 34 -7.022 -3.870 0.051
243 HE1 HIS 34 HE1 HIS 34 -7.689 -4.322 -4.114
244 H THR 35 H THR 35 -9.235 -5.144 2.576
245 HA THR 35 HA THR 35 -10.502 -7.172 4.056
246 HB THR 35 HB THR 35 -8.320 -6.365 4.722
247 HG1 THR 35 HG1 THR 35 -8.906 -6.895 6.676
248 HG21 THR 35 3HG2 THR 35 -9.500 -3.805 5.729
249 HG22 THR 35 1HG2 THR 35 -8.964 -3.931 4.054
250 HG23 THR 35 2HG2 THR 35 -7.818 -4.195 5.368
251 H GLY 36 H GLY 36 -12.764 -6.655 3.525
252 HA2 GLY 36 1HA GLY 36 -13.850 -4.706 5.458
253 HA3 GLY 36 2HA GLY 36 -14.482 -4.813 3.822
254 H SER 37 H SER 37 -15.860 -5.188 6.376
255 HA SER 37 HA SER 37 -16.341 -7.940 6.834
256 HB2 SER 37 1HB SER 37 -16.873 -6.339 8.559
257 HB3 SER 37 2HB SER 37 -17.990 -5.490 7.491
258 HG SER 37 HG SER 37 -18.271 -8.137 8.478
259 H GLY 38 H GLY 38 -17.725 -9.350 5.921
260 HA2 GLY 38 1HA GLY 38 -19.824 -9.832 4.818
261 HA3 GLY 38 2HA GLY 38 -19.665 -8.306 3.960
262 HA PRO 39 HA PRO 39 -18.345 -11.612 1.040
263 HB2 PRO 39 1HB PRO 39 -19.521 -10.469 -1.124
264 HB3 PRO 39 2HB PRO 39 -20.388 -11.533 -0.009
265 HG2 PRO 39 1HG PRO 39 -20.354 -8.542 -0.134
266 HG3 PRO 39 2HG PRO 39 -21.727 -9.636 0.115
267 HD2 PRO 39 1HD PRO 39 -20.522 -8.323 2.154
268 HD3 PRO 39 2HD PRO 39 -21.248 -9.931 2.351
269 H SER 40 H SER 40 -16.431 -11.529 0.042
270 HA SER 40 HA SER 40 -15.089 -8.994 -0.271
271 HB2 SER 40 1HB SER 40 -13.141 -10.351 -0.909
272 HB3 SER 40 2HB SER 40 -13.869 -10.954 0.580
273 HG SER 40 HG SER 40 -15.059 -12.420 -0.940
274 H SER 41 H SER 41 -16.181 -7.927 -1.918
275 HA SER 41 HA SER 41 -17.166 -8.690 -4.275
276 HB2 SER 41 1HB SER 41 -16.417 -6.546 -5.255
277 HB3 SER 41 2HB SER 41 -17.036 -6.338 -3.617
278 HG SER 41 HG SER 41 -14.702 -5.589 -4.526
279 H GLY 42 H GLY 42 -13.691 -8.233 -3.683
280 HA2 GLY 42 1HA GLY 42 -12.934 -9.045 -6.323
281 HA3 GLY 42 2HA GLY 42 -11.857 -8.825 -4.952
Start of MODEL 7
1 H1 GLY 1 H GLY 1 -5.642 2.401 -23.091
2 HA2 GLY 1 1HA GLY 1 -5.898 0.506 -21.602
3 HA3 GLY 1 2HA GLY 1 -4.200 0.610 -22.042
4 H SER 2 H SER 2 -4.250 -0.675 -19.913
5 HA SER 2 HA SER 2 -4.193 1.160 -17.615
6 HB2 SER 2 1HB SER 2 -4.504 -1.839 -17.786
7 HB3 SER 2 2HB SER 2 -4.195 -0.998 -16.268
8 HG SER 2 HG SER 2 -6.450 -1.368 -16.728
9 H SER 3 H SER 3 -2.202 1.995 -17.444
10 HA SER 3 HA SER 3 0.122 0.264 -17.864
11 HB2 SER 3 1HB SER 3 0.219 2.357 -19.064
12 HB3 SER 3 2HB SER 3 -0.124 3.268 -17.593
13 HG SER 3 HG SER 3 2.242 2.346 -18.528
14 H GLY 4 H GLY 4 -1.122 2.604 -15.481
15 HA2 GLY 4 1HA GLY 4 -1.107 2.320 -13.150
16 HA3 GLY 4 2HA GLY 4 0.002 0.970 -13.343
17 H SER 5 H SER 5 0.037 4.440 -14.175
18 HA SER 5 HA SER 5 1.802 5.921 -14.128
19 HB2 SER 5 1HB SER 5 2.346 6.567 -11.902
20 HB3 SER 5 2HB SER 5 0.701 5.934 -11.832
21 HG SER 5 HG SER 5 1.832 3.863 -11.278
22 H SER 6 H SER 6 2.703 3.600 -15.275
23 HA SER 6 HA SER 6 4.763 2.170 -14.276
24 HB2 SER 6 1HB SER 6 5.666 1.995 -16.519
25 HB3 SER 6 2HB SER 6 3.905 2.028 -16.617
26 HG SER 6 HG SER 6 4.160 4.345 -17.014
27 H GLY 7 H GLY 7 6.926 2.409 -13.847
28 HA2 GLY 7 1HA GLY 7 8.868 3.483 -13.261
29 HA3 GLY 7 2HA GLY 7 8.513 4.613 -14.560
30 H GLY 8 H GLY 8 7.392 3.850 -11.258
31 HA2 GLY 8 1HA GLY 8 7.455 6.746 -10.703
32 HA3 GLY 8 2HA GLY 8 6.067 5.774 -10.237
33 H GLU 9 H GLU 9 7.447 7.259 -8.371
34 HA GLU 9 HA GLU 9 9.072 5.290 -6.917
35 HB2 GLU 9 1HB GLU 9 9.563 7.374 -5.455
36 HB3 GLU 9 2HB GLU 9 10.328 7.241 -7.032
37 HG2 GLU 9 1HG GLU 9 8.905 8.837 -7.984
38 HG3 GLU 9 2HG GLU 9 7.763 8.740 -6.646
39 H LYS 10 H LYS 10 8.098 4.173 -5.376
40 HA LYS 10 HA LYS 10 6.351 5.448 -3.477
41 HB2 LYS 10 1HB LYS 10 5.251 3.242 -5.229
42 HB3 LYS 10 2HB LYS 10 4.430 3.975 -3.857
43 HG2 LYS 10 1HG LYS 10 4.495 6.150 -5.058
44 HG3 LYS 10 2HG LYS 10 5.158 5.303 -6.458
45 HD2 LYS 10 1HD LYS 10 3.184 4.218 -6.905
46 HD3 LYS 10 2HD LYS 10 2.644 4.282 -5.225
47 HE2 LYS 10 1HE LYS 10 1.273 5.766 -6.506
48 HE3 LYS 10 2HE LYS 10 2.335 6.740 -5.492
49 HZ1 LYS 10 3HZ LYS 10 2.499 6.275 -8.406
50 HZ2 LYS 10 1HZ LYS 10 3.835 6.828 -7.526
51 HZ3 LYS 10 2HZ LYS 10 2.416 7.747 -7.575
52 HA PRO 11 HA PRO 11 8.717 2.278 -1.342
53 HB2 PRO 11 1HB PRO 11 8.210 3.249 1.141
54 HB3 PRO 11 2HB PRO 11 9.434 3.942 0.071
55 HG2 PRO 11 1HG PRO 11 6.639 4.873 0.605
56 HG3 PRO 11 2HG PRO 11 8.129 5.825 0.466
57 HD2 PRO 11 1HD PRO 11 6.342 5.612 -1.558
58 HD3 PRO 11 2HD PRO 11 8.086 5.789 -1.838
59 H TYR 12 H TYR 12 5.455 3.357 -0.464
60 HA TYR 12 HA TYR 12 4.879 0.857 0.885
61 HB2 TYR 12 1HB TYR 12 2.973 3.114 0.253
62 HB3 TYR 12 2HB TYR 12 2.755 1.838 1.446
63 HD1 TYR 12 HD1 TYR 12 4.014 1.876 3.551
64 HD2 TYR 12 HD2 TYR 12 4.352 5.033 0.718
65 HE1 TYR 12 HE1 TYR 12 5.041 3.302 5.272
66 HE2 TYR 12 HE2 TYR 12 5.381 6.467 2.431
67 HH TYR 12 HH TYR 12 6.445 5.247 5.454
68 H LYS 13 H LYS 13 3.878 -0.851 0.028
69 HA LYS 13 HA LYS 13 2.455 -0.532 -2.523
70 HB2 LYS 13 1HB LYS 13 4.567 -1.393 -3.196
71 HB3 LYS 13 2HB LYS 13 4.600 -2.548 -1.870
72 HG2 LYS 13 1HG LYS 13 2.444 -3.477 -3.029
73 HG3 LYS 13 2HG LYS 13 3.108 -2.655 -4.443
74 HD2 LYS 13 1HD LYS 13 4.910 -4.059 -4.582
75 HD3 LYS 13 2HD LYS 13 4.928 -4.382 -2.847
76 HE2 LYS 13 1HE LYS 13 2.768 -5.659 -3.207
77 HE3 LYS 13 2HE LYS 13 3.092 -5.533 -4.936
78 HZ1 LYS 13 3HZ LYS 13 5.311 -6.508 -3.363
79 HZ2 LYS 13 1HZ LYS 13 4.688 -7.078 -4.829
80 HZ3 LYS 13 2HZ LYS 13 3.961 -7.528 -3.369
81 H CYS 14 H CYS 14 0.609 -1.697 -2.719
82 HA CYS 14 HA CYS 14 -0.373 -3.015 -0.336
83 HB2 CYS 14 1HB CYS 14 -1.939 -1.579 -1.409
84 HB3 CYS 14 2HB CYS 14 -1.635 -2.307 -2.983
85 H GLU 15 H GLU 15 0.091 -5.078 0.019
86 HA GLU 15 HA GLU 15 0.876 -6.862 -2.081
87 HB2 GLU 15 1HB GLU 15 0.247 -7.482 0.810
88 HB3 GLU 15 2HB GLU 15 1.103 -8.527 -0.315
89 HG2 GLU 15 1HG GLU 15 2.785 -6.604 -0.514
90 HG3 GLU 15 2HG GLU 15 2.024 -5.974 0.946
91 H THR 16 H THR 16 -2.070 -6.133 -0.406
92 HA THR 16 HA THR 16 -3.522 -8.477 -0.799
93 HB THR 16 HB THR 16 -4.450 -5.605 -0.723
94 HG1 THR 16 HG1 THR 16 -5.294 -6.671 1.372
95 HG21 THR 16 3HG2 THR 16 -6.164 -6.743 -1.902
96 HG22 THR 16 1HG2 THR 16 -6.708 -6.643 -0.228
97 HG23 THR 16 2HG2 THR 16 -6.049 -8.155 -0.852
98 H CYS 17 H CYS 17 -2.937 -5.764 -2.978
99 HA CYS 17 HA CYS 17 -4.070 -7.376 -5.164
100 HB2 CYS 17 1HB CYS 17 -5.042 -5.431 -6.173
101 HB3 CYS 17 2HB CYS 17 -5.573 -5.477 -4.495
102 H GLY 18 H GLY 18 -1.814 -4.827 -4.213
103 HA2 GLY 18 1HA GLY 18 0.499 -5.191 -5.069
104 HA3 GLY 18 2HA GLY 18 -0.245 -5.441 -6.642
105 H ALA 19 H ALA 19 -1.707 -3.020 -4.736
106 HA ALA 19 HA ALA 19 -1.065 -0.983 -6.611
107 HB1 ALA 19 3HB ALA 19 -3.002 -0.312 -5.729
108 HB2 ALA 19 1HB ALA 19 -2.764 -1.268 -4.265
109 HB3 ALA 19 2HB ALA 19 -2.040 0.335 -4.401
110 H ARG 20 H ARG 20 -0.403 1.270 -5.520
111 HA ARG 20 HA ARG 20 1.789 0.973 -3.642
112 HB2 ARG 20 1HB ARG 20 2.171 1.724 -6.527
113 HB3 ARG 20 2HB ARG 20 3.274 2.310 -5.289
114 HG2 ARG 20 1HG ARG 20 3.974 0.118 -4.742
115 HG3 ARG 20 2HG ARG 20 2.671 -0.605 -5.687
116 HD2 ARG 20 1HD ARG 20 4.964 1.013 -6.793
117 HD3 ARG 20 2HD ARG 20 4.826 -0.744 -6.847
118 HE ARG 20 HE ARG 20 2.633 0.699 -8.058
119 HH11 ARG 20 1HH1 ARG 20 5.729 -0.822 -8.529
120 HH12 ARG 20 2HH1 ARG 20 5.500 -1.058 -10.230
121 HH21 ARG 20 1HH2 ARG 20 2.321 0.395 -10.297
122 HH22 ARG 20 2HH2 ARG 20 3.562 -0.364 -11.235
123 H PHE 21 H PHE 21 2.631 3.039 -2.903
124 HA PHE 21 HA PHE 21 1.257 5.455 -3.657
125 HB2 PHE 21 1HB PHE 21 0.920 4.532 -0.806
126 HB3 PHE 21 2HB PHE 21 0.146 5.898 -1.602
127 HD1 PHE 21 HD2 PHE 21 0.364 2.188 -1.730
128 HD2 PHE 21 HD1 PHE 21 -1.972 5.662 -2.497
129 HE1 PHE 21 HE2 PHE 21 -1.563 0.765 -2.288
130 HE2 PHE 21 HE1 PHE 21 -3.904 4.244 -3.056
131 HZ PHE 21 HZ PHE 21 -3.701 1.792 -2.953
132 H VAL 22 H VAL 22 2.090 7.350 -2.513
133 HA VAL 22 HA VAL 22 4.922 7.100 -2.059
134 HB VAL 22 HB VAL 22 4.354 9.038 -3.245
135 HG11 VAL 22 1HG1 VAL 22 2.194 9.415 -1.189
136 HG12 VAL 22 2HG1 VAL 22 2.694 10.708 -2.281
137 HG13 VAL 22 3HG1 VAL 22 2.029 9.211 -2.933
138 HG21 VAL 22 3HG2 VAL 22 4.650 10.011 -0.407
139 HG22 VAL 22 1HG2 VAL 22 5.977 9.389 -1.387
140 HG23 VAL 22 2HG2 VAL 22 5.127 10.853 -1.881
141 H GLN 23 H GLN 23 2.057 7.748 -0.120
142 HA GLN 23 HA GLN 23 3.740 7.589 2.293
143 HB2 GLN 23 1HB GLN 23 1.468 9.402 1.615
144 HB3 GLN 23 2HB GLN 23 1.672 8.904 3.289
145 HG2 GLN 23 1HG GLN 23 4.042 9.954 1.845
146 HG3 GLN 23 2HG GLN 23 2.789 11.092 2.337
147 HE21 GLN 23 1HE2 GLN 23 5.137 8.757 3.448
148 HE22 GLN 23 2HE2 GLN 23 5.204 9.310 5.083
149 H VAL 24 H VAL 24 2.996 6.360 4.007
150 HA VAL 24 HA VAL 24 1.492 4.085 3.424
151 HB VAL 24 HB VAL 24 3.109 4.671 5.439
152 HG11 VAL 24 1HG1 VAL 24 1.940 5.005 7.523
153 HG12 VAL 24 2HG1 VAL 24 1.531 6.313 6.410
154 HG13 VAL 24 3HG1 VAL 24 0.386 5.001 6.691
155 HG21 VAL 24 3HG2 VAL 24 2.766 2.534 6.016
156 HG22 VAL 24 1HG2 VAL 24 1.060 2.809 6.372
157 HG23 VAL 24 2HG2 VAL 24 1.579 2.519 4.712
158 H ALA 25 H ALA 25 0.543 7.110 4.998
159 HA ALA 25 HA ALA 25 -1.967 6.511 5.909
160 HB1 ALA 25 3HB ALA 25 -2.070 8.701 6.286
161 HB2 ALA 25 1HB ALA 25 -0.507 8.835 5.480
162 HB3 ALA 25 2HB ALA 25 -1.996 9.070 4.564
163 H HIS 26 H HIS 26 -0.915 6.843 2.608
164 HA HIS 26 HA HIS 26 -3.600 6.956 1.541
165 HB2 HIS 26 1HB HIS 26 -1.076 6.421 -0.019
166 HB3 HIS 26 2HB HIS 26 -2.588 7.109 -0.603
167 HD1 HIS 26 HD1 HIS 26 -0.492 8.855 -1.392
168 HD2 HIS 26 HD2 HIS 26 -1.883 8.983 2.521
169 HE1 HIS 26 HE1 HIS 26 0.199 11.105 -0.506
170 H LEU 27 H LEU 27 -0.919 4.612 1.490
171 HA LEU 27 HA LEU 27 -2.305 2.569 0.155
172 HB2 LEU 27 1HB LEU 27 0.011 2.338 0.231
173 HB3 LEU 27 2HB LEU 27 0.076 2.626 1.969
174 HG LEU 27 HG LEU 27 -0.894 0.408 2.365
175 HD11 LEU 27 1HD1 LEU 27 -2.155 0.286 0.229
176 HD12 LEU 27 2HD1 LEU 27 -1.218 -1.165 0.585
177 HD13 LEU 27 3HD1 LEU 27 -0.630 -0.007 -0.608
178 HD21 LEU 27 3HD2 LEU 27 1.054 -0.917 1.583
179 HD22 LEU 27 1HD2 LEU 27 1.501 0.595 2.374
180 HD23 LEU 27 2HD2 LEU 27 1.562 0.469 0.616
181 H ARG 28 H ARG 28 -1.657 2.951 3.643
182 HA ARG 28 HA ARG 28 -3.139 0.760 4.518
183 HB2 ARG 28 1HB ARG 28 -2.984 1.670 6.690
184 HB3 ARG 28 2HB ARG 28 -1.537 2.219 5.855
185 HG2 ARG 28 1HG ARG 28 -2.622 4.389 5.446
186 HG3 ARG 28 2HG ARG 28 -4.030 3.832 6.352
187 HD2 ARG 28 1HD ARG 28 -1.248 3.921 7.500
188 HD3 ARG 28 2HD ARG 28 -2.394 5.254 7.637
189 HE ARG 28 HE ARG 28 -3.600 4.034 9.181
190 HH11 ARG 28 1HH1 ARG 28 -1.142 2.043 7.729
191 HH12 ARG 28 2HH1 ARG 28 -1.326 0.754 8.872
192 HH21 ARG 28 1HH2 ARG 28 -3.852 2.344 10.693
193 HH22 ARG 28 2HH2 ARG 28 -2.869 0.926 10.557
194 H ALA 29 H ALA 29 -4.189 3.761 3.252
195 HA ALA 29 HA ALA 29 -6.855 3.539 4.413
196 HB1 ALA 29 3HB ALA 29 -6.044 5.757 4.373
197 HB2 ALA 29 1HB ALA 29 -5.541 5.622 2.688
198 HB3 ALA 29 2HB ALA 29 -7.257 5.660 3.096
199 H HIS 30 H HIS 30 -5.182 2.480 1.677
200 HA HIS 30 HA HIS 30 -7.605 2.323 0.036
201 HB2 HIS 30 1HB HIS 30 -5.952 3.054 -1.384
202 HB3 HIS 30 2HB HIS 30 -4.681 2.188 -0.525
203 HD1 HIS 30 HD1 HIS 30 -7.010 1.906 -3.369
204 HD2 HIS 30 HD2 HIS 30 -4.470 -0.583 -1.221
205 HE1 HIS 30 HE1 HIS 30 -6.750 -0.163 -4.775
206 H VAL 31 H VAL 31 -5.254 0.338 1.715
207 HA VAL 31 HA VAL 31 -5.986 -2.164 0.661
208 HB VAL 31 HB VAL 31 -5.163 -2.918 3.070
209 HG11 VAL 31 1HG1 VAL 31 -3.106 -3.276 2.126
210 HG12 VAL 31 2HG1 VAL 31 -4.062 -2.948 0.679
211 HG13 VAL 31 3HG1 VAL 31 -3.050 -1.682 1.375
212 HG21 VAL 31 3HG2 VAL 31 -4.167 -1.372 4.373
213 HG22 VAL 31 1HG2 VAL 31 -3.552 -0.457 2.996
214 HG23 VAL 31 2HG2 VAL 31 -5.225 -0.251 3.516
215 H LEU 32 H LEU 32 -7.583 -0.073 2.857
216 HA LEU 32 HA LEU 32 -9.081 -1.987 4.312
217 HB2 LEU 32 1HB LEU 32 -9.884 0.843 3.670
218 HB3 LEU 32 2HB LEU 32 -10.453 -0.149 5.011
219 HG LEU 32 HG LEU 32 -7.633 0.876 4.688
220 HD11 LEU 32 1HD1 LEU 32 -10.038 2.106 5.739
221 HD12 LEU 32 2HD1 LEU 32 -8.456 2.812 5.411
222 HD13 LEU 32 3HD1 LEU 32 -8.757 2.000 6.948
223 HD21 LEU 32 3HD2 LEU 32 -8.553 -1.276 6.154
224 HD22 LEU 32 1HD2 LEU 32 -8.511 0.041 7.326
225 HD23 LEU 32 2HD2 LEU 32 -7.054 -0.388 6.429
226 H ILE 33 H ILE 33 -9.315 -0.790 1.112
227 HA ILE 33 HA ILE 33 -12.048 -1.014 0.598
228 HB ILE 33 HB ILE 33 -11.498 -1.193 -1.731
229 HG12 ILE 33 1HG1 ILE 33 -8.774 -2.015 -0.730
230 HG13 ILE 33 2HG1 ILE 33 -9.861 -2.918 -1.779
231 HG21 ILE 33 1HG2 ILE 33 -11.178 1.001 -1.065
232 HG22 ILE 33 2HG2 ILE 33 -9.765 0.606 -0.088
233 HG23 ILE 33 3HG2 ILE 33 -9.645 0.616 -1.848
234 HD11 ILE 33 3HD1 ILE 33 -8.120 -0.582 -2.429
235 HD12 ILE 33 1HD1 ILE 33 -8.238 -2.148 -3.229
236 HD13 ILE 33 2HD1 ILE 33 -9.528 -0.961 -3.421
237 H HIS 34 H HIS 34 -9.485 -3.459 0.431
238 HA HIS 34 HA HIS 34 -11.260 -5.539 -0.430
239 HB2 HIS 34 1HB HIS 34 -8.584 -6.024 0.849
240 HB3 HIS 34 2HB HIS 34 -9.389 -6.953 -0.412
241 HD1 HIS 34 HD1 HIS 34 -9.279 -5.989 -2.842
242 HD2 HIS 34 HD2 HIS 34 -7.028 -3.908 -0.038
243 HE1 HIS 34 HE1 HIS 34 -7.740 -4.515 -4.176
244 H THR 35 H THR 35 -9.338 -5.220 2.560
245 HA THR 35 HA THR 35 -10.766 -7.180 3.983
246 HB THR 35 HB THR 35 -8.508 -6.402 4.631
247 HG1 THR 35 HG1 THR 35 -10.151 -5.853 6.846
248 HG21 THR 35 3HG2 THR 35 -9.937 -3.952 5.668
249 HG22 THR 35 1HG2 THR 35 -8.890 -3.989 4.250
250 HG23 THR 35 2HG2 THR 35 -8.223 -4.322 5.848
251 H GLY 36 H GLY 36 -12.565 -7.121 5.217
252 HA2 GLY 36 1HA GLY 36 -13.677 -5.030 6.593
253 HA3 GLY 36 2HA GLY 36 -14.317 -4.866 4.965
254 H SER 37 H SER 37 -16.141 -5.910 4.524
255 HA SER 37 HA SER 37 -17.077 -7.920 6.439
256 HB2 SER 37 1HB SER 37 -19.308 -7.505 5.513
257 HB3 SER 37 2HB SER 37 -18.555 -5.990 6.009
258 HG SER 37 HG SER 37 -19.246 -6.887 3.490
259 H GLY 38 H GLY 38 -15.101 -8.792 4.696
260 HA2 GLY 38 1HA GLY 38 -15.616 -11.191 3.847
261 HA3 GLY 38 2HA GLY 38 -16.529 -10.315 2.627
262 HA PRO 39 HA PRO 39 -11.778 -9.443 2.005
263 HB2 PRO 39 1HB PRO 39 -10.160 -11.381 3.002
264 HB3 PRO 39 2HB PRO 39 -10.611 -9.939 3.921
265 HG2 PRO 39 1HG PRO 39 -11.750 -12.704 4.054
266 HG3 PRO 39 2HG PRO 39 -11.346 -11.596 5.378
267 HD2 PRO 39 1HD PRO 39 -13.880 -11.938 4.486
268 HD3 PRO 39 2HD PRO 39 -13.295 -10.390 5.131
269 H SER 40 H SER 40 -12.557 -12.914 2.295
270 HA SER 40 HA SER 40 -11.913 -13.200 -0.566
271 HB2 SER 40 1HB SER 40 -11.463 -15.312 1.554
272 HB3 SER 40 2HB SER 40 -10.996 -15.396 -0.145
273 HG SER 40 HG SER 40 -9.780 -13.336 0.487
274 H SER 41 H SER 41 -13.548 -13.890 -1.767
275 HA SER 41 HA SER 41 -15.515 -15.731 -0.658
276 HB2 SER 41 1HB SER 41 -17.397 -14.313 -1.536
277 HB3 SER 41 2HB SER 41 -16.552 -13.617 -0.154
278 HG SER 41 HG SER 41 -15.688 -12.959 -2.735
279 H GLY 42 H GLY 42 -16.409 -17.083 -2.160
280 HA2 GLY 42 1HA GLY 42 -17.024 -17.772 -4.336
281 HA3 GLY 42 2HA GLY 42 -15.992 -16.514 -5.000
Start of MODEL 8
1 H1 GLY 1 H GLY 1 -0.497 -2.643 -27.918
2 HA2 GLY 1 1HA GLY 1 -0.290 -0.867 -29.546
3 HA3 GLY 1 2HA GLY 1 -1.236 -0.238 -28.206
4 H SER 2 H SER 2 -0.642 1.747 -27.682
5 HA SER 2 HA SER 2 2.215 2.448 -27.864
6 HB2 SER 2 1HB SER 2 0.496 3.625 -29.404
7 HB3 SER 2 2HB SER 2 -0.008 4.476 -27.944
8 HG SER 2 HG SER 2 2.186 4.859 -29.495
9 H SER 3 H SER 3 1.245 1.198 -25.585
10 HA SER 3 HA SER 3 0.250 2.695 -23.523
11 HB2 SER 3 1HB SER 3 1.548 1.221 -22.000
12 HB3 SER 3 2HB SER 3 0.730 0.321 -23.277
13 HG SER 3 HG SER 3 2.790 -0.449 -23.212
14 H GLY 4 H GLY 4 1.518 3.484 -21.557
15 HA2 GLY 4 1HA GLY 4 4.144 4.516 -21.912
16 HA3 GLY 4 2HA GLY 4 2.946 5.770 -22.200
17 H SER 5 H SER 5 2.794 3.118 -19.864
18 HA SER 5 HA SER 5 2.758 5.139 -17.718
19 HB2 SER 5 1HB SER 5 1.228 2.548 -17.981
20 HB3 SER 5 2HB SER 5 1.365 3.427 -16.459
21 HG SER 5 HG SER 5 -0.248 3.906 -18.570
22 H SER 6 H SER 6 4.541 5.080 -16.539
23 HA SER 6 HA SER 6 5.741 2.458 -15.933
24 HB2 SER 6 1HB SER 6 7.236 5.044 -16.437
25 HB3 SER 6 2HB SER 6 7.963 3.495 -16.009
26 HG SER 6 HG SER 6 7.841 2.932 -18.022
27 H GLY 7 H GLY 7 7.017 2.416 -13.930
28 HA2 GLY 7 1HA GLY 7 5.576 3.674 -11.798
29 HA3 GLY 7 2HA GLY 7 6.975 2.623 -11.633
30 H GLY 8 H GLY 8 6.178 5.288 -10.421
31 HA2 GLY 8 1HA GLY 8 8.466 6.910 -11.310
32 HA3 GLY 8 2HA GLY 8 7.092 7.503 -10.389
33 H GLU 9 H GLU 9 6.873 6.599 -8.150
34 HA GLU 9 HA GLU 9 9.101 5.430 -6.849
35 HB2 GLU 9 1HB GLU 9 9.615 7.489 -5.425
36 HB3 GLU 9 2HB GLU 9 10.260 7.465 -7.060
37 HG2 GLU 9 1HG GLU 9 8.433 8.899 -7.807
38 HG3 GLU 9 2HG GLU 9 7.781 8.921 -6.170
39 H LYS 10 H LYS 10 7.985 4.207 -5.483
40 HA LYS 10 HA LYS 10 6.276 5.470 -3.512
41 HB2 LYS 10 1HB LYS 10 5.201 3.239 -5.246
42 HB3 LYS 10 2HB LYS 10 4.360 4.030 -3.920
43 HG2 LYS 10 1HG LYS 10 4.510 6.166 -5.216
44 HG3 LYS 10 2HG LYS 10 5.125 5.220 -6.574
45 HD2 LYS 10 1HD LYS 10 3.109 4.166 -6.926
46 HD3 LYS 10 2HD LYS 10 2.584 4.381 -5.254
47 HE2 LYS 10 1HE LYS 10 1.252 5.912 -6.329
48 HE3 LYS 10 2HE LYS 10 2.628 6.921 -5.888
49 HZ1 LYS 10 3HZ LYS 10 3.055 7.315 -8.015
50 HZ2 LYS 10 1HZ LYS 10 1.595 6.556 -8.407
51 HZ3 LYS 10 2HZ LYS 10 3.035 5.670 -8.408
52 HA PRO 11 HA PRO 11 8.682 2.303 -1.412
53 HB2 PRO 11 1HB PRO 11 8.184 3.258 1.080
54 HB3 PRO 11 2HB PRO 11 9.399 3.962 0.007
55 HG2 PRO 11 1HG PRO 11 6.603 4.877 0.562
56 HG3 PRO 11 2HG PRO 11 8.087 5.837 0.420
57 HD2 PRO 11 1HD PRO 11 6.290 5.627 -1.595
58 HD3 PRO 11 2HD PRO 11 8.032 5.814 -1.884
59 H TYR 12 H TYR 12 5.441 3.379 -0.431
60 HA TYR 12 HA TYR 12 4.880 0.865 0.881
61 HB2 TYR 12 1HB TYR 12 2.968 3.126 0.274
62 HB3 TYR 12 2HB TYR 12 2.745 1.834 1.448
63 HD1 TYR 12 HD1 TYR 12 4.023 1.831 3.550
64 HD2 TYR 12 HD2 TYR 12 4.332 5.041 0.773
65 HE1 TYR 12 HE1 TYR 12 5.052 3.231 5.291
66 HE2 TYR 12 HE2 TYR 12 5.363 6.449 2.506
67 HH TYR 12 HH TYR 12 5.324 5.657 5.780
68 H LYS 13 H LYS 13 3.895 -0.849 0.020
69 HA LYS 13 HA LYS 13 2.455 -0.529 -2.522
70 HB2 LYS 13 1HB LYS 13 4.568 -1.397 -3.191
71 HB3 LYS 13 2HB LYS 13 4.591 -2.554 -1.866
72 HG2 LYS 13 1HG LYS 13 2.434 -3.471 -3.031
73 HG3 LYS 13 2HG LYS 13 3.101 -2.647 -4.442
74 HD2 LYS 13 1HD LYS 13 4.894 -4.059 -4.589
75 HD3 LYS 13 2HD LYS 13 4.918 -4.384 -2.854
76 HE2 LYS 13 1HE LYS 13 3.047 -5.858 -3.035
77 HE3 LYS 13 2HE LYS 13 2.770 -5.392 -4.712
78 HZ1 LYS 13 3HZ LYS 13 4.898 -7.094 -3.593
79 HZ2 LYS 13 1HZ LYS 13 5.145 -6.285 -5.059
80 HZ3 LYS 13 2HZ LYS 13 3.874 -7.390 -4.907
81 H CYS 14 H CYS 14 0.623 -1.727 -2.738
82 HA CYS 14 HA CYS 14 -0.365 -3.028 -0.343
83 HB2 CYS 14 1HB CYS 14 -1.898 -1.554 -1.461
84 HB3 CYS 14 2HB CYS 14 -1.653 -2.377 -2.997
85 H GLU 15 H GLU 15 0.088 -5.094 0.010
86 HA GLU 15 HA GLU 15 0.873 -6.876 -2.090
87 HB2 GLU 15 1HB GLU 15 0.227 -7.500 0.796
88 HB3 GLU 15 2HB GLU 15 1.084 -8.547 -0.326
89 HG2 GLU 15 1HG GLU 15 2.784 -6.647 -0.513
90 HG3 GLU 15 2HG GLU 15 2.010 -5.990 0.928
91 H THR 16 H THR 16 -2.078 -6.141 -0.428
92 HA THR 16 HA THR 16 -3.537 -8.478 -0.834
93 HB THR 16 HB THR 16 -4.454 -5.602 -0.756
94 HG1 THR 16 HG1 THR 16 -4.775 -7.673 1.169
95 HG21 THR 16 3HG2 THR 16 -6.718 -6.633 -0.275
96 HG22 THR 16 1HG2 THR 16 -6.063 -8.145 -0.902
97 HG23 THR 16 2HG2 THR 16 -6.167 -6.729 -1.948
98 H CYS 17 H CYS 17 -2.947 -5.753 -3.000
99 HA CYS 17 HA CYS 17 -4.072 -7.358 -5.197
100 HB2 CYS 17 1HB CYS 17 -5.014 -5.394 -6.211
101 HB3 CYS 17 2HB CYS 17 -5.573 -5.461 -4.542
102 H GLY 18 H GLY 18 -1.809 -4.816 -4.237
103 HA2 GLY 18 1HA GLY 18 0.507 -5.191 -5.079
104 HA3 GLY 18 2HA GLY 18 -0.229 -5.442 -6.655
105 H ALA 19 H ALA 19 -1.697 -3.012 -4.768
106 HA ALA 19 HA ALA 19 -1.032 -0.981 -6.642
107 HB1 ALA 19 3HB ALA 19 -2.503 0.377 -5.495
108 HB2 ALA 19 1HB ALA 19 -3.119 -1.231 -5.112
109 HB3 ALA 19 2HB ALA 19 -2.134 -0.360 -3.936
110 H ARG 20 H ARG 20 -0.395 1.277 -5.515
111 HA ARG 20 HA ARG 20 1.785 0.976 -3.628
112 HB2 ARG 20 1HB ARG 20 2.197 1.733 -6.508
113 HB3 ARG 20 2HB ARG 20 3.290 2.311 -5.256
114 HG2 ARG 20 1HG ARG 20 3.843 0.030 -4.648
115 HG3 ARG 20 2HG ARG 20 2.695 -0.582 -5.841
116 HD2 ARG 20 1HD ARG 20 4.620 -0.719 -7.059
117 HD3 ARG 20 2HD ARG 20 4.128 0.924 -7.469
118 HE ARG 20 HE ARG 20 5.868 0.727 -5.177
119 HH11 ARG 20 1HH1 ARG 20 5.665 1.079 -8.634
120 HH12 ARG 20 2HH1 ARG 20 7.228 1.812 -8.782
121 HH21 ARG 20 1HH2 ARG 20 7.927 1.692 -5.358
122 HH22 ARG 20 2HH2 ARG 20 8.514 2.159 -6.918
123 H PHE 21 H PHE 21 2.624 3.043 -2.883
124 HA PHE 21 HA PHE 21 1.249 5.457 -3.645
125 HB2 PHE 21 1HB PHE 21 0.911 4.536 -0.793
126 HB3 PHE 21 2HB PHE 21 0.134 5.900 -1.591
127 HD1 PHE 21 HD2 PHE 21 0.364 2.190 -1.724
128 HD2 PHE 21 HD1 PHE 21 -1.985 5.657 -2.480
129 HE1 PHE 21 HE2 PHE 21 -1.559 0.761 -2.282
130 HE2 PHE 21 HE1 PHE 21 -3.913 4.234 -3.039
131 HZ PHE 21 HZ PHE 21 -3.701 1.782 -2.942
132 H VAL 22 H VAL 22 2.081 7.355 -2.514
133 HA VAL 22 HA VAL 22 4.911 7.115 -2.058
134 HB VAL 22 HB VAL 22 4.326 9.054 -3.237
135 HG11 VAL 22 1HG1 VAL 22 2.670 10.716 -2.265
136 HG12 VAL 22 2HG1 VAL 22 1.999 9.212 -2.899
137 HG13 VAL 22 3HG1 VAL 22 2.187 9.430 -1.159
138 HG21 VAL 22 3HG2 VAL 22 5.137 10.851 -1.895
139 HG22 VAL 22 1HG2 VAL 22 4.621 10.051 -0.410
140 HG23 VAL 22 2HG2 VAL 22 5.953 9.384 -1.355
141 H GLN 23 H GLN 23 2.050 7.762 -0.110
142 HA GLN 23 HA GLN 23 3.738 7.589 2.299
143 HB2 GLN 23 1HB GLN 23 1.470 9.411 1.632
144 HB3 GLN 23 2HB GLN 23 1.676 8.906 3.304
145 HG2 GLN 23 1HG GLN 23 3.984 10.029 1.778
146 HG3 GLN 23 2HG GLN 23 2.770 11.099 2.478
147 HE21 GLN 23 1HE2 GLN 23 4.160 12.006 3.956
148 HE22 GLN 23 2HE2 GLN 23 4.781 11.140 5.315
149 H VAL 24 H VAL 24 3.002 6.349 4.005
150 HA VAL 24 HA VAL 24 1.489 4.083 3.420
151 HB VAL 24 HB VAL 24 3.113 4.651 5.431
152 HG11 VAL 24 1HG1 VAL 24 1.992 5.039 7.509
153 HG12 VAL 24 2HG1 VAL 24 1.502 6.306 6.382
154 HG13 VAL 24 3HG1 VAL 24 0.412 4.964 6.731
155 HG21 VAL 24 3HG2 VAL 24 1.244 2.801 6.537
156 HG22 VAL 24 1HG2 VAL 24 1.326 2.558 4.792
157 HG23 VAL 24 2HG2 VAL 24 2.795 2.478 5.763
158 H ALA 25 H ALA 25 0.547 7.126 4.947
159 HA ALA 25 HA ALA 25 -1.962 6.529 5.884
160 HB1 ALA 25 3HB ALA 25 -0.507 8.831 5.526
161 HB2 ALA 25 1HB ALA 25 -1.911 9.085 4.487
162 HB3 ALA 25 2HB ALA 25 -2.133 8.733 6.202
163 H HIS 26 H HIS 26 -0.914 6.826 2.582
164 HA HIS 26 HA HIS 26 -3.603 6.939 1.519
165 HB2 HIS 26 1HB HIS 26 -1.079 6.404 -0.042
166 HB3 HIS 26 2HB HIS 26 -2.595 7.081 -0.628
167 HD1 HIS 26 HD1 HIS 26 -0.481 8.820 -1.420
168 HD2 HIS 26 HD2 HIS 26 -1.925 8.989 2.472
169 HE1 HIS 26 HE1 HIS 26 0.193 11.082 -0.550
170 H LEU 27 H LEU 27 -0.921 4.598 1.492
171 HA LEU 27 HA LEU 27 -2.306 2.546 0.163
172 HB2 LEU 27 1HB LEU 27 0.016 2.333 0.239
173 HB3 LEU 27 2HB LEU 27 0.076 2.606 1.979
174 HG LEU 27 HG LEU 27 -0.867 0.385 2.365
175 HD11 LEU 27 1HD1 LEU 27 -1.279 -1.164 0.605
176 HD12 LEU 27 2HD1 LEU 27 -0.650 -0.047 -0.606
177 HD13 LEU 27 3HD1 LEU 27 -2.162 0.315 0.226
178 HD21 LEU 27 3HD2 LEU 27 1.556 0.484 0.576
179 HD22 LEU 27 1HD2 LEU 27 1.060 -0.940 1.491
180 HD23 LEU 27 2HD2 LEU 27 1.519 0.537 2.340
181 H ARG 28 H ARG 28 -1.643 2.940 3.647
182 HA ARG 28 HA ARG 28 -3.129 0.753 4.531
183 HB2 ARG 28 1HB ARG 28 -2.952 1.661 6.702
184 HB3 ARG 28 2HB ARG 28 -1.508 2.203 5.857
185 HG2 ARG 28 1HG ARG 28 -2.653 4.371 5.428
186 HG3 ARG 28 2HG ARG 28 -3.981 3.812 6.447
187 HD2 ARG 28 1HD ARG 28 -1.147 3.845 7.434
188 HD3 ARG 28 2HD ARG 28 -2.167 5.281 7.516
189 HE ARG 28 HE ARG 28 -2.355 2.921 9.151
190 HH11 ARG 28 1HH1 ARG 28 -4.054 5.689 7.897
191 HH12 ARG 28 2HH1 ARG 28 -5.228 5.709 9.171
192 HH21 ARG 28 1HH2 ARG 28 -3.895 2.936 10.833
193 HH22 ARG 28 2HH2 ARG 28 -5.137 4.143 10.841
194 H ALA 29 H ALA 29 -4.176 3.735 3.240
195 HA ALA 29 HA ALA 29 -6.835 3.535 4.430
196 HB1 ALA 29 3HB ALA 29 -5.641 5.609 2.595
197 HB2 ALA 29 1HB ALA 29 -7.267 5.672 3.277
198 HB3 ALA 29 2HB ALA 29 -5.860 5.745 4.339
199 H HIS 30 H HIS 30 -5.179 2.481 1.680
200 HA HIS 30 HA HIS 30 -7.612 2.334 0.054
201 HB2 HIS 30 1HB HIS 30 -5.973 3.060 -1.381
202 HB3 HIS 30 2HB HIS 30 -4.693 2.206 -0.525
203 HD1 HIS 30 HD1 HIS 30 -7.024 1.904 -3.363
204 HD2 HIS 30 HD2 HIS 30 -4.477 -0.571 -1.207
205 HE1 HIS 30 HE1 HIS 30 -6.759 -0.169 -4.761
206 H VAL 31 H VAL 31 -5.257 0.340 1.715
207 HA VAL 31 HA VAL 31 -5.989 -2.159 0.657
208 HB VAL 31 HB VAL 31 -5.173 -2.922 3.063
209 HG11 VAL 31 1HG1 VAL 31 -3.293 -1.672 1.064
210 HG12 VAL 31 2HG1 VAL 31 -2.912 -2.944 2.226
211 HG13 VAL 31 3HG1 VAL 31 -4.025 -3.267 0.896
212 HG21 VAL 31 3HG2 VAL 31 -5.235 -0.249 3.511
213 HG22 VAL 31 1HG2 VAL 31 -4.201 -1.380 4.383
214 HG23 VAL 31 2HG2 VAL 31 -3.556 -0.467 3.019
215 H LEU 32 H LEU 32 -7.586 -0.077 2.865
216 HA LEU 32 HA LEU 32 -9.090 -1.992 4.307
217 HB2 LEU 32 1HB LEU 32 -9.913 0.832 3.668
218 HB3 LEU 32 2HB LEU 32 -10.453 -0.162 5.019
219 HG LEU 32 HG LEU 32 -7.622 0.817 4.674
220 HD11 LEU 32 1HD1 LEU 32 -8.888 2.773 4.979
221 HD12 LEU 32 2HD1 LEU 32 -8.284 2.355 6.582
222 HD13 LEU 32 3HD1 LEU 32 -9.956 1.999 6.150
223 HD21 LEU 32 3HD2 LEU 32 -8.809 0.005 7.271
224 HD22 LEU 32 1HD2 LEU 32 -7.150 -0.135 6.689
225 HD23 LEU 32 2HD2 LEU 32 -8.379 -1.267 6.126
226 H ILE 33 H ILE 33 -9.321 -0.780 1.110
227 HA ILE 33 HA ILE 33 -12.051 -1.010 0.589
228 HB ILE 33 HB ILE 33 -11.497 -1.177 -1.739
229 HG12 ILE 33 1HG1 ILE 33 -8.774 -2.004 -0.740
230 HG13 ILE 33 2HG1 ILE 33 -9.861 -2.904 -1.791
231 HG21 ILE 33 1HG2 ILE 33 -9.780 0.617 -0.079
232 HG22 ILE 33 2HG2 ILE 33 -9.627 0.626 -1.835
233 HG23 ILE 33 3HG2 ILE 33 -11.174 1.014 -1.083
234 HD11 ILE 33 3HD1 ILE 33 -9.529 -0.942 -3.428
235 HD12 ILE 33 1HD1 ILE 33 -8.121 -0.565 -2.435
236 HD13 ILE 33 2HD1 ILE 33 -8.240 -2.130 -3.240
237 H HIS 34 H HIS 34 -9.482 -3.449 0.399
238 HA HIS 34 HA HIS 34 -11.265 -5.528 -0.455
239 HB2 HIS 34 1HB HIS 34 -8.579 -6.039 0.787
240 HB3 HIS 34 2HB HIS 34 -9.393 -6.927 -0.498
241 HD1 HIS 34 HD1 HIS 34 -9.279 -5.899 -2.899
242 HD2 HIS 34 HD2 HIS 34 -7.023 -3.897 -0.042
243 HE1 HIS 34 HE1 HIS 34 -7.739 -4.391 -4.194
244 H THR 35 H THR 35 -9.351 -5.120 2.531
245 HA THR 35 HA THR 35 -10.787 -7.115 3.952
246 HB THR 35 HB THR 35 -8.465 -6.403 4.519
247 HG1 THR 35 HG1 THR 35 -9.642 -7.532 6.080
248 HG21 THR 35 3HG2 THR 35 -8.748 -3.988 4.290
249 HG22 THR 35 1HG2 THR 35 -8.160 -4.396 5.901
250 HG23 THR 35 2HG2 THR 35 -9.856 -3.977 5.662
251 H GLY 36 H GLY 36 -12.565 -6.995 5.204
252 HA2 GLY 36 1HA GLY 36 -13.675 -5.270 6.807
253 HA3 GLY 36 2HA GLY 36 -13.945 -4.405 5.302
254 H SER 37 H SER 37 -14.330 -7.749 6.487
255 HA SER 37 HA SER 37 -17.161 -7.670 5.906
256 HB2 SER 37 1HB SER 37 -15.411 -9.659 4.442
257 HB3 SER 37 2HB SER 37 -17.163 -9.505 4.320
258 HG SER 37 HG SER 37 -15.235 -8.152 3.003
259 H GLY 38 H GLY 38 -18.307 -9.113 7.113
260 HA2 GLY 38 1HA GLY 38 -17.386 -10.133 9.450
261 HA3 GLY 38 2HA GLY 38 -18.730 -10.850 8.576
262 HA PRO 39 HA PRO 39 -16.374 -14.544 8.257
263 HB2 PRO 39 1HB PRO 39 -17.639 -15.690 6.146
264 HB3 PRO 39 2HB PRO 39 -18.357 -15.590 7.758
265 HG2 PRO 39 1HG PRO 39 -18.825 -13.853 5.366
266 HG3 PRO 39 2HG PRO 39 -20.002 -14.516 6.515
267 HD2 PRO 39 1HD PRO 39 -19.118 -11.960 6.646
268 HD3 PRO 39 2HD PRO 39 -19.569 -12.890 8.090
269 H SER 40 H SER 40 -15.489 -15.965 6.280
270 HA SER 40 HA SER 40 -13.735 -16.098 4.822
271 HB2 SER 40 1HB SER 40 -15.792 -15.431 3.402
272 HB3 SER 40 2HB SER 40 -15.034 -13.841 3.312
273 HG SER 40 HG SER 40 -14.553 -15.628 1.657
274 H SER 41 H SER 41 -13.109 -14.536 7.018
275 HA SER 41 HA SER 41 -12.009 -12.013 6.291
276 HB2 SER 41 1HB SER 41 -11.005 -12.017 8.501
277 HB3 SER 41 2HB SER 41 -12.654 -12.629 8.619
278 HG SER 41 HG SER 41 -10.218 -14.018 8.824
279 H GLY 42 H GLY 42 -10.632 -15.253 6.735
280 HA2 GLY 42 1HA GLY 42 -8.893 -15.883 5.094
281 HA3 GLY 42 2HA GLY 42 -8.203 -14.289 5.354
Start of MODEL 9
1 H1 GLY 1 H GLY 1 0.181 -4.385 -28.462
2 HA2 GLY 1 1HA GLY 1 2.322 -5.181 -28.735
3 HA3 GLY 1 2HA GLY 1 2.750 -3.618 -29.416
4 H SER 2 H SER 2 4.784 -3.985 -28.261
5 HA SER 2 HA SER 2 5.209 -4.320 -25.604
6 HB2 SER 2 1HB SER 2 7.047 -4.051 -27.179
7 HB3 SER 2 2HB SER 2 6.630 -2.354 -27.417
8 HG SER 2 HG SER 2 7.010 -2.158 -25.074
9 H SER 3 H SER 3 4.351 -3.406 -23.872
10 HA SER 3 HA SER 3 3.802 -0.512 -23.930
11 HB2 SER 3 1HB SER 3 2.156 -2.642 -22.543
12 HB3 SER 3 2HB SER 3 1.845 -0.906 -22.496
13 HG SER 3 HG SER 3 1.157 -2.714 -24.379
14 H GLY 4 H GLY 4 3.979 0.596 -21.906
15 HA2 GLY 4 1HA GLY 4 5.661 -0.841 -19.945
16 HA3 GLY 4 2HA GLY 4 5.959 0.826 -20.412
17 H SER 5 H SER 5 5.281 -0.537 -17.797
18 HA SER 5 HA SER 5 2.686 0.430 -17.067
19 HB2 SER 5 1HB SER 5 4.966 -0.464 -15.286
20 HB3 SER 5 2HB SER 5 3.281 -0.272 -14.802
21 HG SER 5 HG SER 5 2.751 -2.062 -15.859
22 H SER 6 H SER 6 2.557 1.835 -14.990
23 HA SER 6 HA SER 6 3.763 4.366 -15.652
24 HB2 SER 6 1HB SER 6 1.920 3.580 -13.381
25 HB3 SER 6 2HB SER 6 2.401 5.232 -13.766
26 HG SER 6 HG SER 6 0.531 4.996 -14.833
27 H GLY 7 H GLY 7 5.987 3.913 -15.281
28 HA2 GLY 7 1HA GLY 7 6.984 3.012 -12.780
29 HA3 GLY 7 2HA GLY 7 7.919 3.806 -14.039
30 H GLY 8 H GLY 8 7.439 4.051 -10.942
31 HA2 GLY 8 1HA GLY 8 7.964 6.884 -10.887
32 HA3 GLY 8 2HA GLY 8 6.404 6.455 -10.200
33 H GLU 9 H GLU 9 7.270 7.368 -8.215
34 HA GLU 9 HA GLU 9 9.071 5.498 -6.820
35 HB2 GLU 9 1HB GLU 9 9.547 7.483 -5.307
36 HB3 GLU 9 2HB GLU 9 10.201 7.569 -6.936
37 HG2 GLU 9 1HG GLU 9 8.459 9.066 -7.621
38 HG3 GLU 9 2HG GLU 9 7.637 8.883 -6.072
39 H LYS 10 H LYS 10 8.106 4.309 -5.329
40 HA LYS 10 HA LYS 10 6.240 5.460 -3.465
41 HB2 LYS 10 1HB LYS 10 5.299 3.242 -5.293
42 HB3 LYS 10 2HB LYS 10 4.399 3.919 -3.942
43 HG2 LYS 10 1HG LYS 10 4.424 6.116 -5.112
44 HG3 LYS 10 2HG LYS 10 5.158 5.309 -6.500
45 HD2 LYS 10 1HD LYS 10 3.238 4.180 -7.033
46 HD3 LYS 10 2HD LYS 10 2.659 4.161 -5.365
47 HE2 LYS 10 1HE LYS 10 2.094 6.513 -5.505
48 HE3 LYS 10 2HE LYS 10 2.764 6.604 -7.133
49 HZ1 LYS 10 3HZ LYS 10 1.043 4.728 -7.587
50 HZ2 LYS 10 1HZ LYS 10 0.546 6.345 -7.565
51 HZ3 LYS 10 2HZ LYS 10 0.268 5.357 -6.221
52 HA PRO 11 HA PRO 11 8.713 2.331 -1.366
53 HB2 PRO 11 1HB PRO 11 8.211 3.290 1.124
54 HB3 PRO 11 2HB PRO 11 9.420 4.000 0.046
55 HG2 PRO 11 1HG PRO 11 6.618 4.895 0.602
56 HG3 PRO 11 2HG PRO 11 8.094 5.866 0.455
57 HD2 PRO 11 1HD PRO 11 6.296 5.635 -1.556
58 HD3 PRO 11 2HD PRO 11 8.036 5.835 -1.849
59 H TYR 12 H TYR 12 5.438 3.361 -0.489
60 HA TYR 12 HA TYR 12 4.905 0.848 0.861
61 HB2 TYR 12 1HB TYR 12 2.983 3.104 0.271
62 HB3 TYR 12 2HB TYR 12 2.766 1.803 1.437
63 HD1 TYR 12 HD1 TYR 12 4.057 1.786 3.533
64 HD2 TYR 12 HD2 TYR 12 4.328 5.025 0.788
65 HE1 TYR 12 HE1 TYR 12 5.083 3.176 5.284
66 HE2 TYR 12 HE2 TYR 12 5.355 6.424 2.530
67 HH TYR 12 HH TYR 12 6.261 6.435 4.586
68 H LYS 13 H LYS 13 3.879 -0.855 0.014
69 HA LYS 13 HA LYS 13 2.449 -0.530 -2.531
70 HB2 LYS 13 1HB LYS 13 4.560 -1.389 -3.214
71 HB3 LYS 13 2HB LYS 13 4.594 -2.551 -1.894
72 HG2 LYS 13 1HG LYS 13 2.429 -3.463 -3.057
73 HG3 LYS 13 2HG LYS 13 3.103 -2.642 -4.467
74 HD2 LYS 13 1HD LYS 13 4.887 -4.062 -4.611
75 HD3 LYS 13 2HD LYS 13 4.914 -4.379 -2.874
76 HE2 LYS 13 1HE LYS 13 3.032 -5.845 -3.048
77 HE3 LYS 13 2HE LYS 13 2.768 -5.394 -4.731
78 HZ1 LYS 13 3HZ LYS 13 4.881 -6.414 -5.301
79 HZ2 LYS 13 1HZ LYS 13 3.866 -7.538 -4.545
80 HZ3 LYS 13 2HZ LYS 13 5.143 -6.839 -3.684
81 H CYS 14 H CYS 14 0.614 -1.721 -2.740
82 HA CYS 14 HA CYS 14 -0.356 -3.046 -0.351
83 HB2 CYS 14 1HB CYS 14 -1.887 -1.552 -1.460
84 HB3 CYS 14 2HB CYS 14 -1.671 -2.392 -2.992
85 H GLU 15 H GLU 15 0.070 -5.119 -0.017
86 HA GLU 15 HA GLU 15 0.853 -6.881 -2.139
87 HB2 GLU 15 1HB GLU 15 0.221 -7.530 0.745
88 HB3 GLU 15 2HB GLU 15 1.070 -8.569 -0.392
89 HG2 GLU 15 1HG GLU 15 2.786 -6.701 -0.570
90 HG3 GLU 15 2HG GLU 15 2.009 -6.009 0.853
91 H THR 16 H THR 16 -2.090 -6.155 -0.458
92 HA THR 16 HA THR 16 -3.556 -8.484 -0.871
93 HB THR 16 HB THR 16 -4.478 -5.609 -0.800
94 HG1 THR 16 HG1 THR 16 -4.804 -6.010 1.323
95 HG21 THR 16 3HG2 THR 16 -6.068 -8.165 -0.894
96 HG22 THR 16 1HG2 THR 16 -6.201 -6.762 -1.953
97 HG23 THR 16 2HG2 THR 16 -6.728 -6.652 -0.273
98 H CYS 17 H CYS 17 -2.944 -5.765 -3.035
99 HA CYS 17 HA CYS 17 -4.076 -7.361 -5.234
100 HB2 CYS 17 1HB CYS 17 -5.069 -5.430 -6.224
101 HB3 CYS 17 2HB CYS 17 -5.566 -5.444 -4.535
102 H GLY 18 H GLY 18 -1.825 -4.813 -4.262
103 HA2 GLY 18 1HA GLY 18 0.491 -5.175 -5.112
104 HA3 GLY 18 2HA GLY 18 -0.247 -5.413 -6.689
105 H ALA 19 H ALA 19 -1.710 -3.005 -4.766
106 HA ALA 19 HA ALA 19 -1.066 -0.954 -6.626
107 HB1 ALA 19 3HB ALA 19 -2.970 -1.329 -4.625
108 HB2 ALA 19 1HB ALA 19 -2.030 0.073 -4.111
109 HB3 ALA 19 2HB ALA 19 -2.808 0.064 -5.694
110 H ARG 20 H ARG 20 -0.407 1.291 -5.509
111 HA ARG 20 HA ARG 20 1.782 0.981 -3.633
112 HB2 ARG 20 1HB ARG 20 2.189 1.819 -6.498
113 HB3 ARG 20 2HB ARG 20 3.318 2.264 -5.226
114 HG2 ARG 20 1HG ARG 20 3.860 -0.013 -4.801
115 HG3 ARG 20 2HG ARG 20 2.554 -0.577 -5.845
116 HD2 ARG 20 1HD ARG 20 4.897 1.059 -6.800
117 HD3 ARG 20 2HD ARG 20 4.830 -0.701 -6.868
118 HE ARG 20 HE ARG 20 3.401 1.168 -8.553
119 HH11 ARG 20 1HH1 ARG 20 3.684 -2.109 -7.412
120 HH12 ARG 20 2HH1 ARG 20 2.838 -2.791 -8.763
121 HH21 ARG 20 1HH2 ARG 20 2.286 0.283 -10.336
122 HH22 ARG 20 2HH2 ARG 20 2.044 -1.429 -10.425
123 H PHE 21 H PHE 21 2.627 3.042 -2.883
124 HA PHE 21 HA PHE 21 1.259 5.464 -3.634
125 HB2 PHE 21 1HB PHE 21 0.919 4.535 -0.785
126 HB3 PHE 21 2HB PHE 21 0.146 5.903 -1.579
127 HD1 PHE 21 HD2 PHE 21 0.366 2.193 -1.722
128 HD2 PHE 21 HD1 PHE 21 -1.975 5.669 -2.467
129 HE1 PHE 21 HE2 PHE 21 -1.561 0.770 -2.283
130 HE2 PHE 21 HE1 PHE 21 -3.907 4.252 -3.028
131 HZ PHE 21 HZ PHE 21 -3.701 1.799 -2.937
132 H VAL 22 H VAL 22 2.100 7.355 -2.499
133 HA VAL 22 HA VAL 22 4.930 7.097 -2.039
134 HB VAL 22 HB VAL 22 4.367 9.038 -3.221
135 HG11 VAL 22 1HG1 VAL 22 2.711 10.711 -2.253
136 HG12 VAL 22 2HG1 VAL 22 2.041 9.217 -2.912
137 HG13 VAL 22 3HG1 VAL 22 2.207 9.417 -1.167
138 HG21 VAL 22 3HG2 VAL 22 5.109 10.864 -1.828
139 HG22 VAL 22 1HG2 VAL 22 4.684 9.968 -0.370
140 HG23 VAL 22 2HG2 VAL 22 6.002 9.406 -1.399
141 H GLN 23 H GLN 23 2.066 7.761 -0.100
142 HA GLN 23 HA GLN 23 3.747 7.585 2.314
143 HB2 GLN 23 1HB GLN 23 1.491 9.418 1.637
144 HB3 GLN 23 2HB GLN 23 1.689 8.915 3.310
145 HG2 GLN 23 1HG GLN 23 4.004 10.027 1.787
146 HG3 GLN 23 2HG GLN 23 2.797 11.100 2.493
147 HE21 GLN 23 1HE2 GLN 23 4.171 11.997 3.983
148 HE22 GLN 23 2HE2 GLN 23 4.799 11.122 5.334
149 H VAL 24 H VAL 24 3.031 6.314 3.991
150 HA VAL 24 HA VAL 24 1.488 4.073 3.408
151 HB VAL 24 HB VAL 24 3.128 4.615 5.413
152 HG11 VAL 24 1HG1 VAL 24 2.029 5.004 7.499
153 HG12 VAL 24 2HG1 VAL 24 1.535 6.278 6.382
154 HG13 VAL 24 3HG1 VAL 24 0.441 4.940 6.735
155 HG21 VAL 24 3HG2 VAL 24 1.366 2.766 6.584
156 HG22 VAL 24 1HG2 VAL 24 1.207 2.567 4.839
157 HG23 VAL 24 2HG2 VAL 24 2.790 2.426 5.602
158 H ALA 25 H ALA 25 0.580 7.116 4.956
159 HA ALA 25 HA ALA 25 -1.928 6.533 5.907
160 HB1 ALA 25 3HB ALA 25 -0.451 8.835 5.506
161 HB2 ALA 25 1HB ALA 25 -1.909 9.096 4.549
162 HB3 ALA 25 2HB ALA 25 -2.037 8.728 6.269
163 H HIS 26 H HIS 26 -0.891 6.802 2.605
164 HA HIS 26 HA HIS 26 -3.590 6.955 1.559
165 HB2 HIS 26 1HB HIS 26 -1.069 6.435 -0.014
166 HB3 HIS 26 2HB HIS 26 -2.592 7.099 -0.598
167 HD1 HIS 26 HD1 HIS 26 -0.545 8.881 -1.407
168 HD2 HIS 26 HD2 HIS 26 -1.885 8.986 2.524
169 HE1 HIS 26 HE1 HIS 26 0.122 11.141 -0.530
170 H LEU 27 H LEU 27 -0.915 4.606 1.501
171 HA LEU 27 HA LEU 27 -2.302 2.570 0.156
172 HB2 LEU 27 1HB LEU 27 0.016 2.340 0.240
173 HB3 LEU 27 2HB LEU 27 0.071 2.611 1.981
174 HG LEU 27 HG LEU 27 -0.886 0.393 2.361
175 HD11 LEU 27 1HD1 LEU 27 -0.647 -0.043 -0.608
176 HD12 LEU 27 2HD1 LEU 27 -2.164 0.333 0.209
177 HD13 LEU 27 3HD1 LEU 27 -1.297 -1.152 0.600
178 HD21 LEU 27 3HD2 LEU 27 1.546 0.472 0.582
179 HD22 LEU 27 1HD2 LEU 27 1.041 -0.937 1.514
180 HD23 LEU 27 2HD2 LEU 27 1.505 0.549 2.344
181 H ARG 28 H ARG 28 -1.689 2.975 3.645
182 HA ARG 28 HA ARG 28 -3.161 0.774 4.520
183 HB2 ARG 28 1HB ARG 28 -3.007 1.680 6.684
184 HB3 ARG 28 2HB ARG 28 -1.577 2.279 5.852
185 HG2 ARG 28 1HG ARG 28 -2.728 4.416 5.457
186 HG3 ARG 28 2HG ARG 28 -4.120 3.810 6.355
187 HD2 ARG 28 1HD ARG 28 -2.251 3.343 8.181
188 HD3 ARG 28 2HD ARG 28 -1.445 4.657 7.326
189 HE ARG 28 HE ARG 28 -2.959 6.119 8.224
190 HH11 ARG 28 1HH1 ARG 28 -4.169 2.874 8.570
191 HH12 ARG 28 2HH1 ARG 28 -5.510 3.340 9.563
192 HH21 ARG 28 1HH2 ARG 28 -4.719 6.746 9.531
193 HH22 ARG 28 2HH2 ARG 28 -5.822 5.543 10.109
194 H ALA 29 H ALA 29 -4.213 3.795 3.272
195 HA ALA 29 HA ALA 29 -6.888 3.551 4.396
196 HB1 ALA 29 3HB ALA 29 -6.060 5.772 4.345
197 HB2 ALA 29 1HB ALA 29 -5.591 5.631 2.651
198 HB3 ALA 29 2HB ALA 29 -7.298 5.666 3.094
199 H HIS 30 H HIS 30 -5.193 2.476 1.685
200 HA HIS 30 HA HIS 30 -7.599 2.310 0.020
201 HB2 HIS 30 1HB HIS 30 -5.918 3.033 -1.378
202 HB3 HIS 30 2HB HIS 30 -4.668 2.146 -0.510
203 HD1 HIS 30 HD1 HIS 30 -6.992 1.899 -3.366
204 HD2 HIS 30 HD2 HIS 30 -4.480 -0.620 -1.219
205 HE1 HIS 30 HE1 HIS 30 -6.748 -0.169 -4.776
206 H VAL 31 H VAL 31 -5.257 0.329 1.722
207 HA VAL 31 HA VAL 31 -5.998 -2.178 0.686
208 HB VAL 31 HB VAL 31 -5.181 -2.918 3.101
209 HG11 VAL 31 1HG1 VAL 31 -2.963 -3.045 2.247
210 HG12 VAL 31 2HG1 VAL 31 -4.059 -3.230 0.875
211 HG13 VAL 31 3HG1 VAL 31 -3.241 -1.691 1.152
212 HG21 VAL 31 3HG2 VAL 31 -3.558 -0.465 3.013
213 HG22 VAL 31 1HG2 VAL 31 -5.232 -0.247 3.525
214 HG23 VAL 31 2HG2 VAL 31 -4.182 -1.366 4.395
215 H LEU 32 H LEU 32 -7.597 -0.063 2.853
216 HA LEU 32 HA LEU 32 -9.103 -1.963 4.322
217 HB2 LEU 32 1HB LEU 32 -9.908 0.862 3.667
218 HB3 LEU 32 2HB LEU 32 -10.454 -0.121 5.024
219 HG LEU 32 HG LEU 32 -7.625 0.863 4.666
220 HD11 LEU 32 1HD1 LEU 32 -8.945 2.795 5.002
221 HD12 LEU 32 2HD1 LEU 32 -8.256 2.388 6.573
222 HD13 LEU 32 3HD1 LEU 32 -9.938 1.994 6.220
223 HD21 LEU 32 3HD2 LEU 32 -9.010 -0.314 7.072
224 HD22 LEU 32 1HD2 LEU 32 -7.317 0.162 6.947
225 HD23 LEU 32 2HD2 LEU 32 -7.921 -1.201 6.005
226 H ILE 33 H ILE 33 -9.289 -0.861 1.104
227 HA ILE 33 HA ILE 33 -12.048 -1.077 0.608
228 HB ILE 33 HB ILE 33 -11.511 -1.187 -1.722
229 HG12 ILE 33 1HG1 ILE 33 -8.771 -2.013 -0.767
230 HG13 ILE 33 2HG1 ILE 33 -9.863 -2.900 -1.824
231 HG21 ILE 33 1HG2 ILE 33 -9.669 0.636 -1.817
232 HG22 ILE 33 2HG2 ILE 33 -11.198 0.993 -1.015
233 HG23 ILE 33 3HG2 ILE 33 -9.774 0.588 -0.057
234 HD11 ILE 33 3HD1 ILE 33 -9.559 -0.881 -3.414
235 HD12 ILE 33 1HD1 ILE 33 -8.126 -0.556 -2.439
236 HD13 ILE 33 2HD1 ILE 33 -8.284 -2.093 -3.290
237 H HIS 34 H HIS 34 -9.432 -3.460 0.385
238 HA HIS 34 HA HIS 34 -11.178 -5.564 -0.488
239 HB2 HIS 34 1HB HIS 34 -8.468 -6.025 0.721
240 HB3 HIS 34 2HB HIS 34 -9.278 -6.928 -0.556
241 HD1 HIS 34 HD1 HIS 34 -9.215 -5.897 -2.955
242 HD2 HIS 34 HD2 HIS 34 -6.980 -3.839 -0.121
243 HE1 HIS 34 HE1 HIS 34 -7.729 -4.348 -4.266
244 H THR 35 H THR 35 -9.171 -5.301 2.450
245 HA THR 35 HA THR 35 -10.383 -7.322 3.896
246 HB THR 35 HB THR 35 -8.298 -6.254 4.614
247 HG1 THR 35 HG1 THR 35 -10.493 -6.535 6.318
248 HG21 THR 35 3HG2 THR 35 -8.354 -4.090 5.781
249 HG22 THR 35 1HG2 THR 35 -10.061 -3.921 5.375
250 HG23 THR 35 2HG2 THR 35 -8.847 -3.934 4.095
251 H GLY 36 H GLY 36 -11.354 -3.959 3.522
252 HA2 GLY 36 1HA GLY 36 -13.536 -4.290 5.431
253 HA3 GLY 36 2HA GLY 36 -13.088 -2.802 4.609
254 H SER 37 H SER 37 -15.284 -2.429 4.087
255 HA SER 37 HA SER 37 -17.271 -2.727 2.959
256 HB2 SER 37 1HB SER 37 -15.152 -3.124 0.840
257 HB3 SER 37 2HB SER 37 -16.864 -2.910 0.471
258 HG SER 37 HG SER 37 -16.527 -0.857 0.656
259 H GLY 38 H GLY 38 -16.700 -5.056 4.340
260 HA2 GLY 38 1HA GLY 38 -18.360 -6.945 3.744
261 HA3 GLY 38 2HA GLY 38 -17.238 -7.219 2.420
262 HA PRO 39 HA PRO 39 -15.904 -9.192 6.614
263 HB2 PRO 39 1HB PRO 39 -17.206 -11.573 6.533
264 HB3 PRO 39 2HB PRO 39 -17.871 -10.141 7.328
265 HG2 PRO 39 1HG PRO 39 -18.474 -11.252 4.614
266 HG3 PRO 39 2HG PRO 39 -19.590 -10.609 5.833
267 HD2 PRO 39 1HD PRO 39 -18.779 -9.162 3.693
268 HD3 PRO 39 2HD PRO 39 -19.152 -8.419 5.262
269 H SER 40 H SER 40 -14.284 -10.750 6.718
270 HA SER 40 HA SER 40 -13.476 -11.857 4.116
271 HB2 SER 40 1HB SER 40 -11.884 -11.098 6.567
272 HB3 SER 40 2HB SER 40 -11.200 -12.054 5.252
273 HG SER 40 HG SER 40 -10.951 -10.275 4.182
274 H SER 41 H SER 41 -14.840 -13.698 4.300
275 HA SER 41 HA SER 41 -15.139 -15.469 6.333
276 HB2 SER 41 1HB SER 41 -15.495 -17.219 4.650
277 HB3 SER 41 2HB SER 41 -16.240 -15.704 4.140
278 HG SER 41 HG SER 41 -15.110 -15.978 2.394
279 H GLY 42 H GLY 42 -12.468 -15.501 3.977
280 HA2 GLY 42 1HA GLY 42 -10.920 -17.083 5.934
281 HA3 GLY 42 2HA GLY 42 -10.871 -17.436 4.213
Start of MODEL 10
1 H1 GLY 1 H GLY 1 1.442 -5.705 -29.622
2 HA2 GLY 1 1HA GLY 1 3.617 -3.727 -29.923
3 HA3 GLY 1 2HA GLY 1 1.936 -3.254 -29.726
4 H SER 2 H SER 2 4.741 -3.365 -28.140
5 HA SER 2 HA SER 2 3.407 -3.442 -25.545
6 HB2 SER 2 1HB SER 2 5.206 -4.852 -24.576
7 HB3 SER 2 2HB SER 2 4.265 -5.710 -25.796
8 HG SER 2 HG SER 2 6.173 -6.104 -26.601
9 H SER 3 H SER 3 3.925 -1.663 -24.478
10 HA SER 3 HA SER 3 6.637 -0.704 -24.359
11 HB2 SER 3 1HB SER 3 5.992 0.349 -26.442
12 HB3 SER 3 2HB SER 3 4.503 0.956 -25.718
13 HG SER 3 HG SER 3 7.160 1.701 -25.060
14 H GLY 4 H GLY 4 6.992 0.738 -22.655
15 HA2 GLY 4 1HA GLY 4 4.848 1.900 -21.162
16 HA3 GLY 4 2HA GLY 4 5.474 0.457 -20.378
17 H SER 5 H SER 5 5.663 3.691 -20.325
18 HA SER 5 HA SER 5 8.210 3.642 -18.940
19 HB2 SER 5 1HB SER 5 9.287 5.323 -20.240
20 HB3 SER 5 2HB SER 5 8.696 4.124 -21.390
21 HG SER 5 HG SER 5 7.969 5.945 -22.260
22 H SER 6 H SER 6 7.883 4.676 -17.098
23 HA SER 6 HA SER 6 6.884 7.301 -16.911
24 HB2 SER 6 1HB SER 6 4.925 5.086 -16.515
25 HB3 SER 6 2HB SER 6 4.838 6.469 -15.425
26 HG SER 6 HG SER 6 4.069 7.641 -16.993
27 H GLY 7 H GLY 7 6.644 8.014 -14.628
28 HA2 GLY 7 1HA GLY 7 8.741 6.856 -13.042
29 HA3 GLY 7 2HA GLY 7 7.756 8.247 -12.615
30 H GLY 8 H GLY 8 8.623 5.719 -11.161
31 HA2 GLY 8 1HA GLY 8 5.975 5.169 -10.028
32 HA3 GLY 8 2HA GLY 8 6.940 3.805 -10.572
33 H GLU 9 H GLU 9 7.458 6.757 -8.633
34 HA GLU 9 HA GLU 9 9.198 5.237 -6.852
35 HB2 GLU 9 1HB GLU 9 9.578 7.521 -5.809
36 HB3 GLU 9 2HB GLU 9 10.133 7.320 -7.465
37 HG2 GLU 9 1HG GLU 9 8.398 8.615 -8.331
38 HG3 GLU 9 2HG GLU 9 7.441 8.481 -6.857
39 H LYS 10 H LYS 10 7.954 4.020 -5.520
40 HA LYS 10 HA LYS 10 6.401 5.436 -3.521
41 HB2 LYS 10 1HB LYS 10 5.146 3.191 -5.108
42 HB3 LYS 10 2HB LYS 10 4.403 4.088 -3.790
43 HG2 LYS 10 1HG LYS 10 4.504 6.132 -5.157
44 HG3 LYS 10 2HG LYS 10 5.178 5.185 -6.486
45 HD2 LYS 10 1HD LYS 10 3.193 4.118 -6.912
46 HD3 LYS 10 2HD LYS 10 2.624 4.281 -5.249
47 HE2 LYS 10 1HE LYS 10 1.871 6.430 -5.576
48 HE3 LYS 10 2HE LYS 10 2.991 6.735 -6.902
49 HZ1 LYS 10 3HZ LYS 10 1.631 5.064 -8.190
50 HZ2 LYS 10 1HZ LYS 10 0.882 6.548 -7.874
51 HZ3 LYS 10 2HZ LYS 10 0.472 5.183 -6.964
52 HA PRO 11 HA PRO 11 8.704 2.271 -1.338
53 HB2 PRO 11 1HB PRO 11 8.169 3.250 1.137
54 HB3 PRO 11 2HB PRO 11 9.399 3.945 0.074
55 HG2 PRO 11 1HG PRO 11 6.595 4.862 0.580
56 HG3 PRO 11 2HG PRO 11 8.080 5.822 0.450
57 HD2 PRO 11 1HD PRO 11 6.312 5.590 -1.588
58 HD3 PRO 11 2HD PRO 11 8.057 5.776 -1.854
59 H TYR 12 H TYR 12 5.446 3.352 -0.420
60 HA TYR 12 HA TYR 12 4.873 0.832 0.889
61 HB2 TYR 12 1HB TYR 12 2.953 3.089 0.306
62 HB3 TYR 12 2HB TYR 12 2.770 1.811 1.501
63 HD1 TYR 12 HD1 TYR 12 4.041 1.868 3.590
64 HD2 TYR 12 HD2 TYR 12 4.360 5.005 0.733
65 HE1 TYR 12 HE1 TYR 12 5.094 3.300 5.289
66 HE2 TYR 12 HE2 TYR 12 5.414 6.446 2.425
67 HH TYR 12 HH TYR 12 5.811 6.684 4.651
68 H LYS 13 H LYS 13 3.887 -0.866 0.003
69 HA LYS 13 HA LYS 13 2.421 -0.505 -2.518
70 HB2 LYS 13 1HB LYS 13 4.530 -1.336 -3.240
71 HB3 LYS 13 2HB LYS 13 4.589 -2.518 -1.940
72 HG2 LYS 13 1HG LYS 13 2.420 -3.434 -3.089
73 HG3 LYS 13 2HG LYS 13 3.064 -2.581 -4.494
74 HD2 LYS 13 1HD LYS 13 4.863 -3.977 -4.689
75 HD3 LYS 13 2HD LYS 13 4.917 -4.326 -2.959
76 HE2 LYS 13 1HE LYS 13 2.788 -5.633 -3.271
77 HE3 LYS 13 2HE LYS 13 3.011 -5.439 -5.009
78 HZ1 LYS 13 3HZ LYS 13 4.940 -6.745 -3.166
79 HZ2 LYS 13 1HZ LYS 13 5.121 -6.585 -4.840
80 HZ3 LYS 13 2HZ LYS 13 3.885 -7.553 -4.212
81 H CYS 14 H CYS 14 0.594 -1.708 -2.730
82 HA CYS 14 HA CYS 14 -0.341 -3.081 -0.354
83 HB2 CYS 14 1HB CYS 14 -1.868 -1.553 -1.467
84 HB3 CYS 14 2HB CYS 14 -1.709 -2.446 -2.976
85 H GLU 15 H GLU 15 0.103 -5.157 -0.061
86 HA GLU 15 HA GLU 15 0.883 -6.875 -2.218
87 HB2 GLU 15 1HB GLU 15 0.263 -7.583 0.655
88 HB3 GLU 15 2HB GLU 15 1.116 -8.594 -0.503
89 HG2 GLU 15 1HG GLU 15 2.815 -6.702 -0.650
90 HG3 GLU 15 2HG GLU 15 2.041 -6.057 0.797
91 H THR 16 H THR 16 -2.056 -6.212 -0.496
92 HA THR 16 HA THR 16 -3.511 -8.536 -0.951
93 HB THR 16 HB THR 16 -4.452 -5.668 -0.835
94 HG1 THR 16 HG1 THR 16 -4.245 -6.013 1.234
95 HG21 THR 16 3HG2 THR 16 -6.027 -8.234 -0.945
96 HG22 THR 16 1HG2 THR 16 -6.166 -6.829 -2.001
97 HG23 THR 16 2HG2 THR 16 -6.693 -6.725 -0.321
98 H CYS 17 H CYS 17 -2.968 -5.755 -3.063
99 HA CYS 17 HA CYS 17 -4.090 -7.327 -5.286
100 HB2 CYS 17 1HB CYS 17 -5.076 -5.373 -6.245
101 HB3 CYS 17 2HB CYS 17 -5.576 -5.425 -4.558
102 H GLY 18 H GLY 18 -1.822 -4.810 -4.282
103 HA2 GLY 18 1HA GLY 18 0.487 -5.152 -5.147
104 HA3 GLY 18 2HA GLY 18 -0.256 -5.381 -6.724
105 H ALA 19 H ALA 19 -1.716 -2.988 -4.780
106 HA ALA 19 HA ALA 19 -1.077 -0.924 -6.628
107 HB1 ALA 19 3HB ALA 19 -2.294 0.547 -5.072
108 HB2 ALA 19 1HB ALA 19 -3.194 -0.921 -5.459
109 HB3 ALA 19 2HB ALA 19 -2.367 -0.775 -3.907
110 H ARG 20 H ARG 20 -0.405 1.311 -5.531
111 HA ARG 20 HA ARG 20 1.777 0.995 -3.642
112 HB2 ARG 20 1HB ARG 20 2.170 1.781 -6.517
113 HB3 ARG 20 2HB ARG 20 3.272 2.342 -5.266
114 HG2 ARG 20 1HG ARG 20 3.983 0.153 -4.768
115 HG3 ARG 20 2HG ARG 20 2.653 -0.566 -5.677
116 HD2 ARG 20 1HD ARG 20 4.977 0.990 -6.805
117 HD3 ARG 20 2HD ARG 20 4.712 -0.749 -6.936
118 HE ARG 20 HE ARG 20 2.492 0.244 -8.068
119 HH11 ARG 20 1HH1 ARG 20 5.865 0.974 -8.523
120 HH12 ARG 20 2HH1 ARG 20 5.679 1.415 -10.188
121 HH21 ARG 20 1HH2 ARG 20 2.234 0.823 -10.259
122 HH22 ARG 20 2HH2 ARG 20 3.613 1.330 -11.174
123 H PHE 21 H PHE 21 2.619 3.054 -2.882
124 HA PHE 21 HA PHE 21 1.244 5.476 -3.615
125 HB2 PHE 21 1HB PHE 21 0.913 4.526 -0.771
126 HB3 PHE 21 2HB PHE 21 0.138 5.901 -1.551
127 HD1 PHE 21 HD2 PHE 21 0.357 2.192 -1.725
128 HD2 PHE 21 HD1 PHE 21 -1.985 5.675 -2.437
129 HE1 PHE 21 HE2 PHE 21 -1.573 0.775 -2.293
130 HE2 PHE 21 HE1 PHE 21 -3.918 4.263 -3.005
131 HZ PHE 21 HZ PHE 21 -3.713 1.809 -2.934
132 H VAL 22 H VAL 22 2.108 7.364 -2.529
133 HA VAL 22 HA VAL 22 4.930 7.110 -2.060
134 HB VAL 22 HB VAL 22 4.332 9.053 -3.238
135 HG11 VAL 22 1HG1 VAL 22 2.014 9.232 -2.852
136 HG12 VAL 22 2HG1 VAL 22 2.240 9.449 -1.115
137 HG13 VAL 22 3HG1 VAL 22 2.712 10.729 -2.234
138 HG21 VAL 22 3HG2 VAL 22 6.009 9.379 -1.422
139 HG22 VAL 22 1HG2 VAL 22 5.158 10.852 -1.888
140 HG23 VAL 22 2HG2 VAL 22 4.714 10.008 -0.404
141 H GLN 23 H GLN 23 2.074 7.745 -0.103
142 HA GLN 23 HA GLN 23 3.768 7.564 2.300
143 HB2 GLN 23 1HB GLN 23 1.505 9.398 1.647
144 HB3 GLN 23 2HB GLN 23 1.718 8.889 3.317
145 HG2 GLN 23 1HG GLN 23 4.021 10.008 1.780
146 HG3 GLN 23 2HG GLN 23 2.816 11.079 2.494
147 HE21 GLN 23 1HE2 GLN 23 4.217 11.974 3.967
148 HE22 GLN 23 2HE2 GLN 23 4.846 11.100 5.318
149 H VAL 24 H VAL 24 3.020 6.334 4.013
150 HA VAL 24 HA VAL 24 1.499 4.072 3.422
151 HB VAL 24 HB VAL 24 3.126 4.631 5.434
152 HG11 VAL 24 1HG1 VAL 24 1.978 4.984 7.522
153 HG12 VAL 24 2HG1 VAL 24 1.565 6.291 6.410
154 HG13 VAL 24 3HG1 VAL 24 0.415 4.986 6.706
155 HG21 VAL 24 3HG2 VAL 24 2.797 2.441 5.629
156 HG22 VAL 24 1HG2 VAL 24 1.366 2.779 6.603
157 HG23 VAL 24 2HG2 VAL 24 1.216 2.570 4.859
158 H ALA 25 H ALA 25 0.571 7.119 4.950
159 HA ALA 25 HA ALA 25 -1.941 6.529 5.887
160 HB1 ALA 25 3HB ALA 25 -1.755 8.685 6.382
161 HB2 ALA 25 1HB ALA 25 -0.497 8.905 5.166
162 HB3 ALA 25 2HB ALA 25 -2.195 9.058 4.716
163 H HIS 26 H HIS 26 -0.885 6.814 2.590
164 HA HIS 26 HA HIS 26 -3.573 6.955 1.524
165 HB2 HIS 26 1HB HIS 26 -1.040 6.423 -0.025
166 HB3 HIS 26 2HB HIS 26 -2.557 7.084 -0.627
167 HD1 HIS 26 HD1 HIS 26 -0.534 8.874 -1.439
168 HD2 HIS 26 HD2 HIS 26 -1.848 8.977 2.501
169 HE1 HIS 26 HE1 HIS 26 0.133 11.136 -0.567
170 H LEU 27 H LEU 27 -0.904 4.600 1.496
171 HA LEU 27 HA LEU 27 -2.295 2.561 0.154
172 HB2 LEU 27 1HB LEU 27 0.027 2.338 0.240
173 HB3 LEU 27 2HB LEU 27 0.078 2.598 1.982
174 HG LEU 27 HG LEU 27 -0.844 0.383 2.364
175 HD11 LEU 27 1HD1 LEU 27 -2.197 0.356 0.248
176 HD12 LEU 27 2HD1 LEU 27 -1.353 -1.145 0.623
177 HD13 LEU 27 3HD1 LEU 27 -0.713 -0.059 -0.609
178 HD21 LEU 27 3HD2 LEU 27 1.550 0.549 0.553
179 HD22 LEU 27 1HD2 LEU 27 1.039 -0.955 1.320
180 HD23 LEU 27 2HD2 LEU 27 1.512 0.424 2.312
181 H ARG 28 H ARG 28 -1.661 2.960 3.641
182 HA ARG 28 HA ARG 28 -3.147 0.771 4.520
183 HB2 ARG 28 1HB ARG 28 -2.978 1.675 6.686
184 HB3 ARG 28 2HB ARG 28 -1.543 2.250 5.848
185 HG2 ARG 28 1HG ARG 28 -2.592 4.413 5.495
186 HG3 ARG 28 2HG ARG 28 -4.063 3.840 6.283
187 HD2 ARG 28 1HD ARG 28 -1.461 3.673 7.734
188 HD3 ARG 28 2HD ARG 28 -2.285 5.228 7.616
189 HE ARG 28 HE ARG 28 -4.217 3.520 8.483
190 HH11 ARG 28 1HH1 ARG 28 -1.028 4.363 9.595
191 HH12 ARG 28 2HH1 ARG 28 -1.392 4.075 11.264
192 HH21 ARG 28 1HH2 ARG 28 -4.709 3.137 10.677
193 HH22 ARG 28 2HH2 ARG 28 -3.486 3.377 11.879
194 H ALA 29 H ALA 29 -4.189 3.758 3.225
195 HA ALA 29 HA ALA 29 -6.856 3.556 4.388
196 HB1 ALA 29 3HB ALA 29 -5.904 5.767 4.286
197 HB2 ALA 29 1HB ALA 29 -5.639 5.611 2.549
198 HB3 ALA 29 2HB ALA 29 -7.282 5.678 3.188
199 H HIS 30 H HIS 30 -5.183 2.469 1.663
200 HA HIS 30 HA HIS 30 -7.604 2.304 0.021
201 HB2 HIS 30 1HB HIS 30 -5.945 3.014 -1.404
202 HB3 HIS 30 2HB HIS 30 -4.680 2.151 -0.534
203 HD1 HIS 30 HD1 HIS 30 -6.986 1.864 -3.391
204 HD2 HIS 30 HD2 HIS 30 -4.502 -0.638 -1.193
205 HE1 HIS 30 HE1 HIS 30 -6.739 -0.222 -4.774
206 H VAL 31 H VAL 31 -5.266 0.327 1.725
207 HA VAL 31 HA VAL 31 -6.005 -2.183 0.694
208 HB VAL 31 HB VAL 31 -5.191 -2.914 3.115
209 HG11 VAL 31 1HG1 VAL 31 -3.345 -1.731 1.043
210 HG12 VAL 31 2HG1 VAL 31 -2.910 -2.920 2.273
211 HG13 VAL 31 3HG1 VAL 31 -4.042 -3.350 0.989
212 HG21 VAL 31 3HG2 VAL 31 -5.236 -0.243 3.528
213 HG22 VAL 31 1HG2 VAL 31 -4.181 -1.359 4.395
214 HG23 VAL 31 2HG2 VAL 31 -3.565 -0.462 3.007
215 H LEU 32 H LEU 32 -7.603 -0.063 2.857
216 HA LEU 32 HA LEU 32 -9.111 -1.958 4.328
217 HB2 LEU 32 1HB LEU 32 -9.890 0.874 3.666
218 HB3 LEU 32 2HB LEU 32 -10.477 -0.106 5.008
219 HG LEU 32 HG LEU 32 -7.642 0.880 4.702
220 HD11 LEU 32 1HD1 LEU 32 -9.967 2.274 5.509
221 HD12 LEU 32 2HD1 LEU 32 -8.289 2.811 5.571
222 HD13 LEU 32 3HD1 LEU 32 -8.996 1.970 6.950
223 HD21 LEU 32 3HD2 LEU 32 -8.670 0.026 7.315
224 HD22 LEU 32 1HD2 LEU 32 -7.108 -0.274 6.552
225 HD23 LEU 32 2HD2 LEU 32 -8.503 -1.266 6.125
226 H ILE 33 H ILE 33 -9.293 -0.867 1.108
227 HA ILE 33 HA ILE 33 -12.054 -1.083 0.613
228 HB ILE 33 HB ILE 33 -11.518 -1.189 -1.716
229 HG12 ILE 33 1HG1 ILE 33 -8.777 -2.019 -0.768
230 HG13 ILE 33 2HG1 ILE 33 -9.875 -2.907 -1.819
231 HG21 ILE 33 1HG2 ILE 33 -11.199 0.990 -1.013
232 HG22 ILE 33 2HG2 ILE 33 -9.781 0.580 -0.049
233 HG23 ILE 33 3HG2 ILE 33 -9.667 0.628 -1.808
234 HD11 ILE 33 3HD1 ILE 33 -8.165 -0.540 -2.448
235 HD12 ILE 33 1HD1 ILE 33 -8.265 -2.097 -3.269
236 HD13 ILE 33 2HD1 ILE 33 -9.575 -0.927 -3.433
237 H HIS 34 H HIS 34 -9.435 -3.463 0.397
238 HA HIS 34 HA HIS 34 -11.179 -5.569 -0.476
239 HB2 HIS 34 1HB HIS 34 -8.471 -6.039 0.730
240 HB3 HIS 34 2HB HIS 34 -9.278 -6.925 -0.560
241 HD1 HIS 34 HD1 HIS 34 -9.186 -5.884 -2.948
242 HD2 HIS 34 HD2 HIS 34 -6.993 -3.828 -0.080
243 HE1 HIS 34 HE1 HIS 34 -7.697 -4.318 -4.234
244 H THR 35 H THR 35 -9.167 -5.302 2.458
245 HA THR 35 HA THR 35 -10.370 -7.324 3.909
246 HB THR 35 HB THR 35 -8.288 -6.240 4.620
247 HG1 THR 35 HG1 THR 35 -10.475 -6.552 6.326
248 HG21 THR 35 3HG2 THR 35 -8.381 -4.082 5.816
249 HG22 THR 35 1HG2 THR 35 -10.077 -3.923 5.363
250 HG23 THR 35 2HG2 THR 35 -8.828 -3.926 4.118
251 H GLY 36 H GLY 36 -11.382 -3.987 3.483
252 HA2 GLY 36 1HA GLY 36 -13.648 -4.445 5.305
253 HA3 GLY 36 2HA GLY 36 -13.074 -2.873 4.768
254 H SER 37 H SER 37 -15.722 -4.436 4.637
255 HA SER 37 HA SER 37 -16.424 -5.093 2.059
256 HB2 SER 37 1HB SER 37 -18.150 -3.643 4.081
257 HB3 SER 37 2HB SER 37 -18.736 -4.544 2.684
258 HG SER 37 HG SER 37 -18.698 -6.211 3.948
259 H GLY 38 H GLY 38 -17.007 -4.019 0.230
260 HA2 GLY 38 1HA GLY 38 -16.146 -1.282 -0.007
261 HA3 GLY 38 2HA GLY 38 -16.791 -2.290 -1.294
262 HA PRO 39 HA PRO 39 -19.968 0.793 0.599
263 HB2 PRO 39 1HB PRO 39 -19.551 2.985 -0.948
264 HB3 PRO 39 2HB PRO 39 -18.747 2.740 0.607
265 HG2 PRO 39 1HG PRO 39 -17.710 2.255 -2.159
266 HG3 PRO 39 2HG PRO 39 -16.893 2.998 -0.772
267 HD2 PRO 39 1HD PRO 39 -16.470 0.426 -1.505
268 HD3 PRO 39 2HD PRO 39 -16.394 0.962 0.186
269 H SER 40 H SER 40 -18.870 0.892 -2.798
270 HA SER 40 HA SER 40 -21.665 0.487 -3.628
271 HB2 SER 40 1HB SER 40 -19.350 1.917 -4.876
272 HB3 SER 40 2HB SER 40 -20.602 1.244 -5.920
273 HG SER 40 HG SER 40 -22.119 2.511 -4.874
274 H SER 41 H SER 41 -22.210 -1.407 -4.472
275 HA SER 41 HA SER 41 -20.477 -2.904 -6.182
276 HB2 SER 41 1HB SER 41 -20.924 -3.824 -3.349
277 HB3 SER 41 2HB SER 41 -20.596 -4.976 -4.643
278 HG SER 41 HG SER 41 -18.579 -4.382 -4.639
279 H GLY 42 H GLY 42 -21.521 -5.135 -6.653
280 HA2 GLY 42 1HA GLY 42 -23.581 -6.413 -6.679
281 HA3 GLY 42 2HA GLY 42 -24.457 -4.900 -6.495
Start of MODEL 11
1 H1 GLY 1 H GLY 1 -1.184 -1.456 -23.332
2 HA2 GLY 1 1HA GLY 1 -3.898 -0.459 -22.975
3 HA3 GLY 1 2HA GLY 1 -2.632 -0.498 -21.757
4 H SER 2 H SER 2 -1.193 1.214 -21.584
5 HA SER 2 HA SER 2 -1.381 3.435 -23.439
6 HB2 SER 2 1HB SER 2 -3.223 3.618 -21.601
7 HB3 SER 2 2HB SER 2 -1.883 4.067 -20.546
8 HG SER 2 HG SER 2 -1.408 5.763 -22.001
9 H SER 3 H SER 3 0.538 4.396 -23.655
10 HA SER 3 HA SER 3 2.579 3.868 -21.596
11 HB2 SER 3 1HB SER 3 2.989 2.821 -23.832
12 HB3 SER 3 2HB SER 3 3.046 4.439 -24.531
13 HG SER 3 HG SER 3 5.133 3.690 -24.028
14 H GLY 4 H GLY 4 3.203 5.574 -20.461
15 HA2 GLY 4 1HA GLY 4 4.137 7.973 -21.391
16 HA3 GLY 4 2HA GLY 4 2.410 8.231 -21.198
17 H SER 5 H SER 5 5.359 7.305 -19.492
18 HA SER 5 HA SER 5 4.062 8.042 -16.956
19 HB2 SER 5 1HB SER 5 5.564 6.623 -15.823
20 HB3 SER 5 2HB SER 5 5.140 5.724 -17.279
21 HG SER 5 HG SER 5 7.099 6.127 -18.121
22 H SER 6 H SER 6 5.455 9.148 -15.357
23 HA SER 6 HA SER 6 7.302 11.023 -16.686
24 HB2 SER 6 1HB SER 6 5.187 11.466 -14.608
25 HB3 SER 6 2HB SER 6 6.596 12.526 -14.650
26 HG SER 6 HG SER 6 5.282 12.032 -17.058
27 H GLY 7 H GLY 7 6.510 9.691 -13.469
28 HA2 GLY 7 1HA GLY 7 9.251 8.932 -13.031
29 HA3 GLY 7 2HA GLY 7 8.761 10.320 -12.071
30 H GLY 8 H GLY 8 8.946 6.987 -12.161
31 HA2 GLY 8 1HA GLY 8 6.701 6.553 -10.342
32 HA3 GLY 8 2HA GLY 8 7.721 5.309 -11.050
33 H GLU 9 H GLU 9 6.859 6.249 -8.204
34 HA GLU 9 HA GLU 9 9.147 5.290 -6.869
35 HB2 GLU 9 1HB GLU 9 9.809 7.356 -5.678
36 HB3 GLU 9 2HB GLU 9 10.133 7.434 -7.404
37 HG2 GLU 9 1HG GLU 9 7.940 8.670 -7.626
38 HG3 GLU 9 2HG GLU 9 7.944 8.795 -5.868
39 H LYS 10 H LYS 10 7.971 4.094 -5.504
40 HA LYS 10 HA LYS 10 6.360 5.459 -3.514
41 HB2 LYS 10 1HB LYS 10 5.178 3.203 -5.141
42 HB3 LYS 10 2HB LYS 10 4.394 4.075 -3.831
43 HG2 LYS 10 1HG LYS 10 4.534 6.142 -5.201
44 HG3 LYS 10 2HG LYS 10 5.162 5.164 -6.529
45 HD2 LYS 10 1HD LYS 10 3.149 4.153 -6.918
46 HD3 LYS 10 2HD LYS 10 2.629 4.298 -5.237
47 HE2 LYS 10 1HE LYS 10 1.926 6.485 -5.508
48 HE3 LYS 10 2HE LYS 10 2.965 6.753 -6.907
49 HZ1 LYS 10 3HZ LYS 10 0.717 4.843 -7.026
50 HZ2 LYS 10 1HZ LYS 10 1.514 5.622 -8.299
51 HZ3 LYS 10 2HZ LYS 10 0.470 6.495 -7.294
52 HA PRO 11 HA PRO 11 8.708 2.310 -1.346
53 HB2 PRO 11 1HB PRO 11 8.171 3.282 1.132
54 HB3 PRO 11 2HB PRO 11 9.395 3.986 0.069
55 HG2 PRO 11 1HG PRO 11 6.586 4.885 0.580
56 HG3 PRO 11 2HG PRO 11 8.065 5.855 0.450
57 HD2 PRO 11 1HD PRO 11 6.296 5.615 -1.586
58 HD3 PRO 11 2HD PRO 11 8.040 5.813 -1.855
59 H TYR 12 H TYR 12 5.445 3.369 -0.425
60 HA TYR 12 HA TYR 12 4.887 0.849 0.888
61 HB2 TYR 12 1HB TYR 12 2.960 3.098 0.292
62 HB3 TYR 12 2HB TYR 12 2.765 1.813 1.478
63 HD1 TYR 12 HD1 TYR 12 4.040 1.851 3.573
64 HD2 TYR 12 HD2 TYR 12 4.334 5.023 0.753
65 HE1 TYR 12 HE1 TYR 12 5.072 3.276 5.292
66 HE2 TYR 12 HE2 TYR 12 5.368 6.456 2.463
67 HH TYR 12 HH TYR 12 6.271 6.511 4.519
68 H LYS 13 H LYS 13 3.889 -0.855 0.020
69 HA LYS 13 HA LYS 13 2.456 -0.517 -2.523
70 HB2 LYS 13 1HB LYS 13 4.571 -1.375 -3.200
71 HB3 LYS 13 2HB LYS 13 4.595 -2.544 -1.886
72 HG2 LYS 13 1HG LYS 13 2.436 -3.449 -3.061
73 HG3 LYS 13 2HG LYS 13 3.111 -2.617 -4.464
74 HD2 LYS 13 1HD LYS 13 4.897 -4.034 -4.617
75 HD3 LYS 13 2HD LYS 13 4.922 -4.365 -2.884
76 HE2 LYS 13 1HE LYS 13 2.882 -5.724 -3.142
77 HE3 LYS 13 2HE LYS 13 2.925 -5.429 -4.880
78 HZ1 LYS 13 3HZ LYS 13 3.971 -7.576 -3.863
79 HZ2 LYS 13 1HZ LYS 13 5.300 -6.565 -3.589
80 HZ3 LYS 13 2HZ LYS 13 4.719 -6.790 -5.161
81 H CYS 14 H CYS 14 0.611 -1.685 -2.728
82 HA CYS 14 HA CYS 14 -0.381 -3.001 -0.351
83 HB2 CYS 14 1HB CYS 14 -1.932 -1.567 -1.463
84 HB3 CYS 14 2HB CYS 14 -1.631 -2.338 -3.017
85 H GLU 15 H GLU 15 0.105 -5.057 0.020
86 HA GLU 15 HA GLU 15 0.913 -6.850 -2.061
87 HB2 GLU 15 1HB GLU 15 0.256 -7.460 0.826
88 HB3 GLU 15 2HB GLU 15 1.134 -8.503 -0.284
89 HG2 GLU 15 1HG GLU 15 2.802 -6.566 -0.472
90 HG3 GLU 15 2HG GLU 15 2.019 -5.938 0.977
91 H THR 16 H THR 16 -2.055 -6.124 -0.425
92 HA THR 16 HA THR 16 -3.489 -8.481 -0.823
93 HB THR 16 HB THR 16 -4.423 -5.612 -0.740
94 HG1 THR 16 HG1 THR 16 -3.546 -7.079 1.137
95 HG21 THR 16 3HG2 THR 16 -6.121 -6.728 -1.961
96 HG22 THR 16 1HG2 THR 16 -6.691 -6.654 -0.294
97 HG23 THR 16 2HG2 THR 16 -6.024 -8.157 -0.933
98 H CYS 17 H CYS 17 -2.947 -5.741 -2.988
99 HA CYS 17 HA CYS 17 -4.048 -7.365 -5.185
100 HB2 CYS 17 1HB CYS 17 -4.971 -5.386 -6.214
101 HB3 CYS 17 2HB CYS 17 -5.568 -5.490 -4.561
102 H GLY 18 H GLY 18 -1.797 -4.808 -4.233
103 HA2 GLY 18 1HA GLY 18 0.522 -5.185 -5.074
104 HA3 GLY 18 2HA GLY 18 -0.214 -5.433 -6.650
105 H ALA 19 H ALA 19 -1.700 -3.011 -4.776
106 HA ALA 19 HA ALA 19 -1.035 -0.975 -6.640
107 HB1 ALA 19 3HB ALA 19 -3.127 -1.208 -5.146
108 HB2 ALA 19 1HB ALA 19 -2.146 -0.404 -3.919
109 HB3 ALA 19 2HB ALA 19 -2.477 0.403 -5.453
110 H ARG 20 H ARG 20 -0.389 1.280 -5.527
111 HA ARG 20 HA ARG 20 1.797 0.978 -3.645
112 HB2 ARG 20 1HB ARG 20 2.189 1.725 -6.527
113 HB3 ARG 20 2HB ARG 20 3.277 2.337 -5.289
114 HG2 ARG 20 1HG ARG 20 3.920 0.105 -4.674
115 HG3 ARG 20 2HG ARG 20 2.722 -0.580 -5.775
116 HD2 ARG 20 1HD ARG 20 4.568 -0.732 -7.102
117 HD3 ARG 20 2HD ARG 20 4.039 0.893 -7.536
118 HE ARG 20 HE ARG 20 5.920 0.753 -5.343
119 HH11 ARG 20 1HH1 ARG 20 5.468 1.108 -8.777
120 HH12 ARG 20 2HH1 ARG 20 7.000 1.875 -9.031
121 HH21 ARG 20 1HH2 ARG 20 7.940 1.762 -5.665
122 HH22 ARG 20 2HH2 ARG 20 8.406 2.246 -7.261
123 H PHE 21 H PHE 21 2.630 3.041 -2.889
124 HA PHE 21 HA PHE 21 1.252 5.457 -3.637
125 HB2 PHE 21 1HB PHE 21 0.915 4.518 -0.791
126 HB3 PHE 21 2HB PHE 21 0.140 5.889 -1.578
127 HD1 PHE 21 HD2 PHE 21 0.365 2.180 -1.739
128 HD2 PHE 21 HD1 PHE 21 -1.980 5.656 -2.467
129 HE1 PHE 21 HE2 PHE 21 -1.560 0.757 -2.307
130 HE2 PHE 21 HE1 PHE 21 -3.910 4.239 -3.035
131 HZ PHE 21 HZ PHE 21 -3.701 1.786 -2.957
132 H VAL 22 H VAL 22 2.091 7.351 -2.517
133 HA VAL 22 HA VAL 22 4.919 7.106 -2.050
134 HB VAL 22 HB VAL 22 4.338 9.042 -3.237
135 HG11 VAL 22 1HG1 VAL 22 2.137 9.288 -1.235
136 HG12 VAL 22 2HG1 VAL 22 2.702 10.721 -2.095
137 HG13 VAL 22 3HG1 VAL 22 2.065 9.345 -2.996
138 HG21 VAL 22 3HG2 VAL 22 5.104 10.865 -1.862
139 HG22 VAL 22 1HG2 VAL 22 4.675 9.986 -0.394
140 HG23 VAL 22 2HG2 VAL 22 5.987 9.404 -1.418
141 H GLN 23 H GLN 23 2.051 7.751 -0.112
142 HA GLN 23 HA GLN 23 3.732 7.587 2.302
143 HB2 GLN 23 1HB GLN 23 1.452 9.398 1.632
144 HB3 GLN 23 2HB GLN 23 1.682 8.910 3.306
145 HG2 GLN 23 1HG GLN 23 3.992 10.000 1.774
146 HG3 GLN 23 2HG GLN 23 2.763 11.100 2.397
147 HE21 GLN 23 1HE2 GLN 23 4.026 12.080 3.911
148 HE22 GLN 23 2HE2 GLN 23 4.649 11.271 5.304
149 H VAL 24 H VAL 24 2.999 6.342 4.001
150 HA VAL 24 HA VAL 24 1.481 4.079 3.416
151 HB VAL 24 HB VAL 24 3.106 4.646 5.429
152 HG11 VAL 24 1HG1 VAL 24 1.934 4.973 7.520
153 HG12 VAL 24 2HG1 VAL 24 1.563 6.300 6.417
154 HG13 VAL 24 3HG1 VAL 24 0.385 5.013 6.679
155 HG21 VAL 24 3HG2 VAL 24 1.325 2.788 6.583
156 HG22 VAL 24 1HG2 VAL 24 1.233 2.572 4.835
157 HG23 VAL 24 2HG2 VAL 24 2.790 2.459 5.656
158 H ALA 25 H ALA 25 0.544 7.119 4.958
159 HA ALA 25 HA ALA 25 -1.967 6.523 5.889
160 HB1 ALA 25 3HB ALA 25 -2.006 8.704 6.297
161 HB2 ALA 25 1HB ALA 25 -0.499 8.854 5.392
162 HB3 ALA 25 2HB ALA 25 -2.045 9.075 4.573
163 H HIS 26 H HIS 26 -0.915 6.818 2.590
164 HA HIS 26 HA HIS 26 -3.604 6.943 1.527
165 HB2 HIS 26 1HB HIS 26 -1.072 6.423 -0.028
166 HB3 HIS 26 2HB HIS 26 -2.592 7.082 -0.624
167 HD1 HIS 26 HD1 HIS 26 -0.597 8.887 -1.445
168 HD2 HIS 26 HD2 HIS 26 -1.856 8.959 2.514
169 HE1 HIS 26 HE1 HIS 26 0.073 11.147 -0.567
170 H LEU 27 H LEU 27 -0.923 4.602 1.493
171 HA LEU 27 HA LEU 27 -2.307 2.557 0.153
172 HB2 LEU 27 1HB LEU 27 0.014 2.341 0.229
173 HB3 LEU 27 2HB LEU 27 0.074 2.610 1.969
174 HG LEU 27 HG LEU 27 -0.847 0.390 2.361
175 HD11 LEU 27 1HD1 LEU 27 -1.355 -1.141 0.637
176 HD12 LEU 27 2HD1 LEU 27 -0.674 -0.088 -0.602
177 HD13 LEU 27 3HD1 LEU 27 -2.172 0.363 0.213
178 HD21 LEU 27 3HD2 LEU 27 1.054 -0.940 1.383
179 HD22 LEU 27 1HD2 LEU 27 1.521 0.487 2.308
180 HD23 LEU 27 2HD2 LEU 27 1.549 0.531 0.545
181 H ARG 28 H ARG 28 -1.654 2.944 3.638
182 HA ARG 28 HA ARG 28 -3.134 0.750 4.516
183 HB2 ARG 28 1HB ARG 28 -2.952 1.644 6.685
184 HB3 ARG 28 2HB ARG 28 -1.522 2.225 5.842
185 HG2 ARG 28 1HG ARG 28 -2.599 4.386 5.491
186 HG3 ARG 28 2HG ARG 28 -4.040 3.804 6.327
187 HD2 ARG 28 1HD ARG 28 -1.386 3.668 7.689
188 HD3 ARG 28 2HD ARG 28 -2.241 5.208 7.604
189 HE ARG 28 HE ARG 28 -3.808 2.986 8.588
190 HH11 ARG 28 1HH1 ARG 28 -1.725 5.659 9.388
191 HH12 ARG 28 2HH1 ARG 28 -2.293 5.782 11.020
192 HH21 ARG 28 1HH2 ARG 28 -4.563 3.138 10.735
193 HH22 ARG 28 2HH2 ARG 28 -3.907 4.347 11.786
194 H ALA 29 H ALA 29 -4.184 3.750 3.251
195 HA ALA 29 HA ALA 29 -6.847 3.531 4.423
196 HB1 ALA 29 3HB ALA 29 -7.282 5.669 3.276
197 HB2 ALA 29 1HB ALA 29 -5.877 5.743 4.339
198 HB3 ALA 29 2HB ALA 29 -5.657 5.612 2.593
199 H HIS 30 H HIS 30 -5.182 2.481 1.679
200 HA HIS 30 HA HIS 30 -7.610 2.332 0.044
201 HB2 HIS 30 1HB HIS 30 -5.964 3.063 -1.383
202 HB3 HIS 30 2HB HIS 30 -4.689 2.203 -0.525
203 HD1 HIS 30 HD1 HIS 30 -7.017 1.912 -3.367
204 HD2 HIS 30 HD2 HIS 30 -4.472 -0.570 -1.218
205 HE1 HIS 30 HE1 HIS 30 -6.752 -0.157 -4.772
206 H VAL 31 H VAL 31 -5.258 0.339 1.711
207 HA VAL 31 HA VAL 31 -5.994 -2.159 0.650
208 HB VAL 31 HB VAL 31 -5.165 -2.926 3.049
209 HG11 VAL 31 1HG1 VAL 31 -4.034 -3.239 0.853
210 HG12 VAL 31 2HG1 VAL 31 -3.270 -1.664 1.074
211 HG13 VAL 31 3HG1 VAL 31 -2.924 -2.978 2.198
212 HG21 VAL 31 3HG2 VAL 31 -4.184 -1.386 4.368
213 HG22 VAL 31 1HG2 VAL 31 -3.553 -0.468 3.001
214 HG23 VAL 31 2HG2 VAL 31 -5.229 -0.256 3.508
215 H LEU 32 H LEU 32 -7.576 -0.078 2.870
216 HA LEU 32 HA LEU 32 -9.076 -1.998 4.312
217 HB2 LEU 32 1HB LEU 32 -9.903 0.830 3.700
218 HB3 LEU 32 2HB LEU 32 -10.418 -0.171 5.057
219 HG LEU 32 HG LEU 32 -7.598 0.825 4.665
220 HD11 LEU 32 1HD1 LEU 32 -9.435 1.905 6.743
221 HD12 LEU 32 2HD1 LEU 32 -9.550 2.525 5.096
222 HD13 LEU 32 3HD1 LEU 32 -8.029 2.647 5.981
223 HD21 LEU 32 3HD2 LEU 32 -8.044 -1.269 6.035
224 HD22 LEU 32 1HD2 LEU 32 -8.890 -0.217 7.170
225 HD23 LEU 32 2HD2 LEU 32 -7.176 0.038 6.841
226 H ILE 33 H ILE 33 -9.302 -0.805 1.118
227 HA ILE 33 HA ILE 33 -12.040 -0.994 0.606
228 HB ILE 33 HB ILE 33 -11.492 -1.186 -1.724
229 HG12 ILE 33 1HG1 ILE 33 -8.772 -2.020 -0.719
230 HG13 ILE 33 2HG1 ILE 33 -9.865 -2.923 -1.763
231 HG21 ILE 33 1HG2 ILE 33 -11.156 1.007 -1.092
232 HG22 ILE 33 2HG2 ILE 33 -9.774 0.612 -0.072
233 HG23 ILE 33 3HG2 ILE 33 -9.605 0.605 -1.827
234 HD11 ILE 33 3HD1 ILE 33 -8.243 -2.172 -3.220
235 HD12 ILE 33 1HD1 ILE 33 -9.522 -0.974 -3.414
236 HD13 ILE 33 2HD1 ILE 33 -8.109 -0.603 -2.426
237 H HIS 34 H HIS 34 -9.505 -3.467 0.426
238 HA HIS 34 HA HIS 34 -11.302 -5.527 -0.430
239 HB2 HIS 34 1HB HIS 34 -8.640 -6.053 0.859
240 HB3 HIS 34 2HB HIS 34 -9.449 -6.959 -0.417
241 HD1 HIS 34 HD1 HIS 34 -9.298 -5.982 -2.837
242 HD2 HIS 34 HD2 HIS 34 -7.054 -3.944 0.004
243 HE1 HIS 34 HE1 HIS 34 -7.729 -4.517 -4.145
244 H THR 35 H THR 35 -9.450 -5.100 2.592
245 HA THR 35 HA THR 35 -10.915 -7.078 4.002
246 HB THR 35 HB THR 35 -8.626 -6.401 4.644
247 HG1 THR 35 HG1 THR 35 -9.332 -6.000 7.006
248 HG21 THR 35 3HG2 THR 35 -8.719 -4.024 4.293
249 HG22 THR 35 1HG2 THR 35 -8.368 -4.317 5.996
250 HG23 THR 35 2HG2 THR 35 -9.994 -3.849 5.498
251 H GLY 36 H GLY 36 -12.689 -6.941 5.276
252 HA2 GLY 36 1HA GLY 36 -13.977 -5.443 6.815
253 HA3 GLY 36 2HA GLY 36 -13.952 -4.279 5.499
254 H SER 37 H SER 37 -16.137 -4.123 5.194
255 HA SER 37 HA SER 37 -17.372 -6.051 3.545
256 HB2 SER 37 1HB SER 37 -17.602 -7.329 5.616
257 HB3 SER 37 2HB SER 37 -18.372 -5.952 6.402
258 HG SER 37 HG SER 37 -19.379 -7.325 4.129
259 H GLY 38 H GLY 38 -19.467 -5.391 2.808
260 HA2 GLY 38 1HA GLY 38 -21.329 -3.779 3.120
261 HA3 GLY 38 2HA GLY 38 -20.096 -2.586 3.499
262 HA PRO 39 HA PRO 39 -19.992 -1.346 -0.702
263 HB2 PRO 39 1HB PRO 39 -17.401 -0.581 -0.968
264 HB3 PRO 39 2HB PRO 39 -18.588 0.350 -0.046
265 HG2 PRO 39 1HG PRO 39 -16.512 -1.572 0.933
266 HG3 PRO 39 2HG PRO 39 -16.977 0.006 1.596
267 HD2 PRO 39 1HD PRO 39 -17.849 -2.332 2.649
268 HD3 PRO 39 2HD PRO 39 -18.828 -0.851 2.670
269 H SER 40 H SER 40 -18.607 -4.148 0.321
270 HA SER 40 HA SER 40 -16.752 -5.105 -1.323
271 HB2 SER 40 1HB SER 40 -17.865 -7.294 -1.301
272 HB3 SER 40 2HB SER 40 -17.989 -6.513 0.275
273 HG SER 40 HG SER 40 -19.985 -6.750 -1.719
274 H SER 41 H SER 41 -20.162 -4.798 -2.293
275 HA SER 41 HA SER 41 -19.882 -5.730 -4.911
276 HB2 SER 41 1HB SER 41 -22.039 -5.254 -3.631
277 HB3 SER 41 2HB SER 41 -21.820 -3.566 -4.089
278 HG SER 41 HG SER 41 -22.395 -5.792 -5.695
279 H GLY 42 H GLY 42 -17.918 -4.857 -5.710
280 HA2 GLY 42 1HA GLY 42 -17.091 -3.422 -7.392
281 HA3 GLY 42 2HA GLY 42 -18.286 -2.222 -6.924
Start of MODEL 12
1 H1 GLY 1 H GLY 1 -3.806 4.175 -26.765
2 HA2 GLY 1 1HA GLY 1 -4.780 1.834 -25.528
3 HA3 GLY 1 2HA GLY 1 -3.087 2.277 -25.691
4 H SER 2 H SER 2 -2.217 1.968 -23.740
5 HA SER 2 HA SER 2 -3.638 2.365 -21.305
6 HB2 SER 2 1HB SER 2 -1.522 1.857 -20.207
7 HB3 SER 2 2HB SER 2 -1.778 0.739 -21.547
8 HG SER 2 HG SER 2 -0.391 3.073 -22.128
9 H SER 3 H SER 3 -3.151 3.896 -19.639
10 HA SER 3 HA SER 3 -1.911 6.387 -20.595
11 HB2 SER 3 1HB SER 3 -4.334 6.672 -20.710
12 HB3 SER 3 2HB SER 3 -4.496 6.147 -19.034
13 HG SER 3 HG SER 3 -3.309 8.514 -20.029
14 H GLY 4 H GLY 4 -0.242 6.893 -19.351
15 HA2 GLY 4 1HA GLY 4 -0.261 7.377 -16.654
16 HA3 GLY 4 2HA GLY 4 0.158 5.675 -16.787
17 H SER 5 H SER 5 2.226 5.981 -15.949
18 HA SER 5 HA SER 5 4.117 7.156 -17.858
19 HB2 SER 5 1HB SER 5 3.788 7.867 -14.972
20 HB3 SER 5 2HB SER 5 5.410 7.868 -15.665
21 HG SER 5 HG SER 5 4.885 9.512 -16.947
22 H SER 6 H SER 6 6.231 6.272 -17.780
23 HA SER 6 HA SER 6 6.260 3.506 -16.937
24 HB2 SER 6 1HB SER 6 8.358 3.353 -18.159
25 HB3 SER 6 2HB SER 6 7.169 4.207 -19.143
26 HG SER 6 HG SER 6 8.265 6.127 -17.931
27 H GLY 7 H GLY 7 6.499 3.305 -14.769
28 HA2 GLY 7 1HA GLY 7 8.196 2.939 -13.083
29 HA3 GLY 7 2HA GLY 7 8.982 4.413 -13.628
30 H GLY 8 H GLY 8 8.939 4.880 -11.279
31 HA2 GLY 8 1HA GLY 8 7.449 6.927 -10.491
32 HA3 GLY 8 2HA GLY 8 6.325 5.607 -10.205
33 H GLU 9 H GLU 9 7.379 7.379 -8.227
34 HA GLU 9 HA GLU 9 9.135 5.595 -6.684
35 HB2 GLU 9 1HB GLU 9 9.398 7.711 -5.234
36 HB3 GLU 9 2HB GLU 9 10.201 7.668 -6.797
37 HG2 GLU 9 1HG GLU 9 8.331 8.955 -7.758
38 HG3 GLU 9 2HG GLU 9 7.611 9.059 -6.152
39 H LYS 10 H LYS 10 8.103 4.346 -5.285
40 HA LYS 10 HA LYS 10 6.237 5.477 -3.406
41 HB2 LYS 10 1HB LYS 10 5.304 3.302 -5.289
42 HB3 LYS 10 2HB LYS 10 4.402 3.925 -3.913
43 HG2 LYS 10 1HG LYS 10 4.399 6.159 -5.003
44 HG3 LYS 10 2HG LYS 10 5.149 5.416 -6.418
45 HD2 LYS 10 1HD LYS 10 3.246 4.266 -6.990
46 HD3 LYS 10 2HD LYS 10 2.652 4.209 -5.329
47 HE2 LYS 10 1HE LYS 10 2.044 6.540 -5.421
48 HE3 LYS 10 2HE LYS 10 2.772 6.705 -7.018
49 HZ1 LYS 10 3HZ LYS 10 0.842 4.612 -6.960
50 HZ2 LYS 10 1HZ LYS 10 0.926 5.965 -7.972
51 HZ3 LYS 10 2HZ LYS 10 0.160 6.079 -6.468
52 HA PRO 11 HA PRO 11 8.701 2.308 -1.352
53 HB2 PRO 11 1HB PRO 11 8.216 3.242 1.150
54 HB3 PRO 11 2HB PRO 11 9.426 3.955 0.077
55 HG2 PRO 11 1HG PRO 11 6.633 4.866 0.652
56 HG3 PRO 11 2HG PRO 11 8.117 5.827 0.511
57 HD2 PRO 11 1HD PRO 11 6.311 5.634 -1.497
58 HD3 PRO 11 2HD PRO 11 8.051 5.822 -1.793
59 H TYR 12 H TYR 12 5.440 3.357 -0.441
60 HA TYR 12 HA TYR 12 4.889 0.839 0.887
61 HB2 TYR 12 1HB TYR 12 2.954 3.082 0.294
62 HB3 TYR 12 2HB TYR 12 2.774 1.802 1.489
63 HD1 TYR 12 HD1 TYR 12 4.048 1.861 3.579
64 HD2 TYR 12 HD2 TYR 12 4.335 5.011 0.733
65 HE1 TYR 12 HE1 TYR 12 5.085 3.299 5.284
66 HE2 TYR 12 HE2 TYR 12 5.374 6.457 2.429
67 HH TYR 12 HH TYR 12 5.876 6.681 4.600
68 H LYS 13 H LYS 13 3.880 -0.862 0.023
69 HA LYS 13 HA LYS 13 2.450 -0.521 -2.522
70 HB2 LYS 13 1HB LYS 13 4.559 -1.388 -3.202
71 HB3 LYS 13 2HB LYS 13 4.586 -2.551 -1.883
72 HG2 LYS 13 1HG LYS 13 2.427 -3.464 -3.045
73 HG3 LYS 13 2HG LYS 13 3.090 -2.633 -4.455
74 HD2 LYS 13 1HD LYS 13 4.879 -4.046 -4.616
75 HD3 LYS 13 2HD LYS 13 4.916 -4.371 -2.882
76 HE2 LYS 13 1HE LYS 13 3.147 -5.911 -3.026
77 HE3 LYS 13 2HE LYS 13 2.684 -5.355 -4.634
78 HZ1 LYS 13 3HZ LYS 13 4.110 -7.540 -4.229
79 HZ2 LYS 13 1HZ LYS 13 5.377 -6.425 -4.348
80 HZ3 LYS 13 2HZ LYS 13 4.276 -6.592 -5.620
81 H CYS 14 H CYS 14 0.608 -1.697 -2.736
82 HA CYS 14 HA CYS 14 -0.382 -3.017 -0.356
83 HB2 CYS 14 1HB CYS 14 -1.921 -1.548 -1.456
84 HB3 CYS 14 2HB CYS 14 -1.656 -2.336 -3.008
85 H GLU 15 H GLU 15 0.067 -5.085 -0.009
86 HA GLU 15 HA GLU 15 0.854 -6.860 -2.117
87 HB2 GLU 15 1HB GLU 15 0.211 -7.491 0.769
88 HB3 GLU 15 2HB GLU 15 1.064 -8.537 -0.357
89 HG2 GLU 15 1HG GLU 15 2.781 -6.673 -0.543
90 HG3 GLU 15 2HG GLU 15 1.999 -5.967 0.870
91 H THR 16 H THR 16 -2.096 -6.131 -0.447
92 HA THR 16 HA THR 16 -3.557 -8.465 -0.858
93 HB THR 16 HB THR 16 -4.478 -5.590 -0.786
94 HG1 THR 16 HG1 THR 16 -4.827 -6.004 1.331
95 HG21 THR 16 3HG2 THR 16 -6.194 -6.728 -1.960
96 HG22 THR 16 1HG2 THR 16 -6.736 -6.629 -0.285
97 HG23 THR 16 2HG2 THR 16 -6.076 -8.140 -0.911
98 H CYS 17 H CYS 17 -2.957 -5.743 -3.024
99 HA CYS 17 HA CYS 17 -4.084 -7.346 -5.221
100 HB2 CYS 17 1HB CYS 17 -5.049 -5.400 -6.226
101 HB3 CYS 17 2HB CYS 17 -5.573 -5.432 -4.545
102 H GLY 18 H GLY 18 -1.821 -4.807 -4.255
103 HA2 GLY 18 1HA GLY 18 0.495 -5.179 -5.098
104 HA3 GLY 18 2HA GLY 18 -0.240 -5.428 -6.675
105 H ALA 19 H ALA 19 -1.696 -2.999 -4.769
106 HA ALA 19 HA ALA 19 -1.034 -0.965 -6.645
107 HB1 ALA 19 3HB ALA 19 -2.143 -0.358 -3.937
108 HB2 ALA 19 1HB ALA 19 -2.500 0.397 -5.491
109 HB3 ALA 19 2HB ALA 19 -3.126 -1.212 -5.126
110 H ARG 20 H ARG 20 -0.380 1.286 -5.544
111 HA ARG 20 HA ARG 20 1.795 0.980 -3.646
112 HB2 ARG 20 1HB ARG 20 2.205 1.768 -6.520
113 HB3 ARG 20 2HB ARG 20 3.308 2.307 -5.260
114 HG2 ARG 20 1HG ARG 20 3.975 0.097 -4.764
115 HG3 ARG 20 2HG ARG 20 2.658 -0.589 -5.717
116 HD2 ARG 20 1HD ARG 20 4.984 1.000 -6.795
117 HD3 ARG 20 2HD ARG 20 4.796 -0.750 -6.893
118 HE ARG 20 HE ARG 20 2.616 0.724 -8.052
119 HH11 ARG 20 1HH1 ARG 20 5.767 -0.649 -8.603
120 HH12 ARG 20 2HH1 ARG 20 5.553 -0.783 -10.317
121 HH21 ARG 20 1HH2 ARG 20 2.322 0.554 -10.308
122 HH22 ARG 20 2HH2 ARG 20 3.593 -0.097 -11.286
123 H PHE 21 H PHE 21 2.631 3.042 -2.890
124 HA PHE 21 HA PHE 21 1.256 5.460 -3.644
125 HB2 PHE 21 1HB PHE 21 0.922 4.525 -0.796
126 HB3 PHE 21 2HB PHE 21 0.148 5.896 -1.584
127 HD1 PHE 21 HD2 PHE 21 0.368 2.186 -1.742
128 HD2 PHE 21 HD1 PHE 21 -1.974 5.665 -2.469
129 HE1 PHE 21 HE2 PHE 21 -1.560 0.766 -2.306
130 HE2 PHE 21 HE1 PHE 21 -3.907 4.251 -3.033
131 HZ PHE 21 HZ PHE 21 -3.701 1.798 -2.953
132 H VAL 22 H VAL 22 2.085 7.354 -2.496
133 HA VAL 22 HA VAL 22 4.918 7.109 -2.044
134 HB VAL 22 HB VAL 22 4.348 9.047 -3.227
135 HG11 VAL 22 1HG1 VAL 22 2.051 9.289 -2.975
136 HG12 VAL 22 2HG1 VAL 22 2.149 9.338 -1.213
137 HG13 VAL 22 3HG1 VAL 22 2.691 10.720 -2.167
138 HG21 VAL 22 3HG2 VAL 22 5.978 9.419 -1.395
139 HG22 VAL 22 1HG2 VAL 22 5.086 10.874 -1.840
140 HG23 VAL 22 2HG2 VAL 22 4.655 9.988 -0.377
141 H GLN 23 H GLN 23 2.052 7.755 -0.104
142 HA GLN 23 HA GLN 23 3.735 7.586 2.309
143 HB2 GLN 23 1HB GLN 23 1.479 9.418 1.630
144 HB3 GLN 23 2HB GLN 23 1.669 8.911 3.304
145 HG2 GLN 23 1HG GLN 23 4.011 10.004 1.815
146 HG3 GLN 23 2HG GLN 23 2.788 11.098 2.460
147 HE21 GLN 23 1HE2 GLN 23 4.125 12.023 3.969
148 HE22 GLN 23 2HE2 GLN 23 4.707 11.177 5.358
149 H VAL 24 H VAL 24 3.011 6.327 3.997
150 HA VAL 24 HA VAL 24 1.482 4.076 3.415
151 HB VAL 24 HB VAL 24 3.108 4.634 5.427
152 HG11 VAL 24 1HG1 VAL 24 0.405 4.970 6.717
153 HG12 VAL 24 2HG1 VAL 24 1.981 5.015 7.509
154 HG13 VAL 24 3HG1 VAL 24 1.519 6.296 6.386
155 HG21 VAL 24 3HG2 VAL 24 1.255 2.790 6.546
156 HG22 VAL 24 1HG2 VAL 24 1.287 2.556 4.799
157 HG23 VAL 24 2HG2 VAL 24 2.782 2.458 5.728
158 H ALA 25 H ALA 25 0.552 7.112 4.970
159 HA ALA 25 HA ALA 25 -1.957 6.527 5.901
160 HB1 ALA 25 3HB ALA 25 -2.027 8.715 6.281
161 HB2 ALA 25 1HB ALA 25 -0.487 8.846 5.430
162 HB3 ALA 25 2HB ALA 25 -2.001 9.077 4.555
163 H HIS 26 H HIS 26 -0.915 6.828 2.595
164 HA HIS 26 HA HIS 26 -3.606 6.946 1.539
165 HB2 HIS 26 1HB HIS 26 -1.074 6.421 -0.016
166 HB3 HIS 26 2HB HIS 26 -2.596 7.071 -0.616
167 HD1 HIS 26 HD1 HIS 26 -0.576 8.866 -1.437
168 HD2 HIS 26 HD2 HIS 26 -1.898 8.983 2.500
169 HE1 HIS 26 HE1 HIS 26 0.079 11.136 -0.575
170 H LEU 27 H LEU 27 -0.924 4.604 1.474
171 HA LEU 27 HA LEU 27 -2.313 2.557 0.152
172 HB2 LEU 27 1HB LEU 27 0.006 2.333 0.227
173 HB3 LEU 27 2HB LEU 27 0.069 2.612 1.967
174 HG LEU 27 HG LEU 27 -0.888 0.393 2.357
175 HD11 LEU 27 1HD1 LEU 27 -2.164 0.314 0.208
176 HD12 LEU 27 2HD1 LEU 27 -1.281 -1.162 0.596
177 HD13 LEU 27 3HD1 LEU 27 -0.644 -0.046 -0.612
178 HD21 LEU 27 3HD2 LEU 27 1.553 0.491 0.594
179 HD22 LEU 27 1HD2 LEU 27 1.046 -0.935 1.499
180 HD23 LEU 27 2HD2 LEU 27 1.496 0.539 2.357
181 H ARG 28 H ARG 28 -1.662 2.950 3.637
182 HA ARG 28 HA ARG 28 -3.142 0.760 4.521
183 HB2 ARG 28 1HB ARG 28 -2.978 1.673 6.689
184 HB3 ARG 28 2HB ARG 28 -1.537 2.230 5.849
185 HG2 ARG 28 1HG ARG 28 -2.654 4.391 5.434
186 HG3 ARG 28 2HG ARG 28 -4.036 3.824 6.374
187 HD2 ARG 28 1HD ARG 28 -1.233 3.937 7.465
188 HD3 ARG 28 2HD ARG 28 -2.377 5.270 7.610
189 HE ARG 28 HE ARG 28 -3.553 4.065 9.189
190 HH11 ARG 28 1HH1 ARG 28 -1.124 2.059 7.708
191 HH12 ARG 28 2HH1 ARG 28 -1.287 0.781 8.866
192 HH21 ARG 28 1HH2 ARG 28 -3.777 2.390 10.720
193 HH22 ARG 28 2HH2 ARG 28 -2.796 0.970 10.579
194 H ALA 29 H ALA 29 -4.193 3.762 3.252
195 HA ALA 29 HA ALA 29 -6.859 3.536 4.414
196 HB1 ALA 29 3HB ALA 29 -6.379 5.758 4.401
197 HB2 ALA 29 1HB ALA 29 -5.360 5.644 2.965
198 HB3 ALA 29 2HB ALA 29 -7.117 5.636 2.804
199 H HIS 30 H HIS 30 -5.185 2.487 1.675
200 HA HIS 30 HA HIS 30 -7.608 2.329 0.035
201 HB2 HIS 30 1HB HIS 30 -5.955 3.067 -1.383
202 HB3 HIS 30 2HB HIS 30 -4.684 2.197 -0.529
203 HD1 HIS 30 HD1 HIS 30 -7.053 1.910 -3.350
204 HD2 HIS 30 HD2 HIS 30 -4.440 -0.552 -1.259
205 HE1 HIS 30 HE1 HIS 30 -6.787 -0.148 -4.770
206 H VAL 31 H VAL 31 -5.257 0.346 1.713
207 HA VAL 31 HA VAL 31 -5.992 -2.156 0.652
208 HB VAL 31 HB VAL 31 -5.146 -2.923 3.043
209 HG11 VAL 31 1HG1 VAL 31 -4.030 -3.204 0.823
210 HG12 VAL 31 2HG1 VAL 31 -3.248 -1.644 1.083
211 HG13 VAL 31 3HG1 VAL 31 -2.921 -2.989 2.176
212 HG21 VAL 31 3HG2 VAL 31 -3.540 -0.462 2.998
213 HG22 VAL 31 1HG2 VAL 31 -5.216 -0.254 3.505
214 HG23 VAL 31 2HG2 VAL 31 -4.169 -1.384 4.364
215 H LEU 32 H LEU 32 -7.583 -0.066 2.845
216 HA LEU 32 HA LEU 32 -9.064 -1.981 4.319
217 HB2 LEU 32 1HB LEU 32 -9.872 0.848 3.677
218 HB3 LEU 32 2HB LEU 32 -10.439 -0.144 5.019
219 HG LEU 32 HG LEU 32 -7.610 0.856 4.696
220 HD11 LEU 32 1HD1 LEU 32 -8.093 2.525 6.294
221 HD12 LEU 32 2HD1 LEU 32 -9.684 1.845 6.636
222 HD13 LEU 32 3HD1 LEU 32 -9.372 2.622 5.084
223 HD21 LEU 32 3HD2 LEU 32 -8.299 -1.303 6.062
224 HD22 LEU 32 1HD2 LEU 32 -8.760 -0.097 7.264
225 HD23 LEU 32 2HD2 LEU 32 -7.100 -0.162 6.672
226 H ILE 33 H ILE 33 -9.321 -0.791 1.119
227 HA ILE 33 HA ILE 33 -12.065 -1.039 0.635
228 HB ILE 33 HB ILE 33 -11.542 -1.168 -1.699
229 HG12 ILE 33 1HG1 ILE 33 -8.801 -1.991 -0.749
230 HG13 ILE 33 2HG1 ILE 33 -9.893 -2.875 -1.809
231 HG21 ILE 33 1HG2 ILE 33 -9.761 0.610 -0.074
232 HG22 ILE 33 2HG2 ILE 33 -9.742 0.668 -1.836
233 HG23 ILE 33 3HG2 ILE 33 -11.231 1.016 -0.959
234 HD11 ILE 33 3HD1 ILE 33 -8.165 -0.519 -2.418
235 HD12 ILE 33 1HD1 ILE 33 -8.294 -2.064 -3.259
236 HD13 ILE 33 2HD1 ILE 33 -9.585 -0.870 -3.403
237 H HIS 34 H HIS 34 -9.460 -3.435 0.375
238 HA HIS 34 HA HIS 34 -11.214 -5.533 -0.479
239 HB2 HIS 34 1HB HIS 34 -8.510 -5.996 0.745
240 HB3 HIS 34 2HB HIS 34 -9.319 -6.911 -0.523
241 HD1 HIS 34 HD1 HIS 34 -9.262 -5.893 -2.933
242 HD2 HIS 34 HD2 HIS 34 -7.000 -3.838 -0.119
243 HE1 HIS 34 HE1 HIS 34 -7.766 -4.367 -4.258
244 H THR 35 H THR 35 -9.264 -5.186 2.491
245 HA THR 35 HA THR 35 -10.683 -7.193 3.897
246 HB THR 35 HB THR 35 -8.359 -6.452 4.451
247 HG1 THR 35 HG1 THR 35 -9.246 -7.625 6.057
248 HG21 THR 35 3HG2 THR 35 -8.069 -4.478 5.869
249 HG22 THR 35 1HG2 THR 35 -9.781 -4.093 5.693
250 HG23 THR 35 2HG2 THR 35 -8.715 -4.033 4.289
251 H GLY 36 H GLY 36 -12.326 -7.076 5.379
252 HA2 GLY 36 1HA GLY 36 -13.337 -4.981 6.774
253 HA3 GLY 36 2HA GLY 36 -14.055 -4.775 5.183
254 H SER 37 H SER 37 -16.141 -5.287 5.524
255 HA SER 37 HA SER 37 -16.808 -7.673 7.063
256 HB2 SER 37 1HB SER 37 -18.654 -5.634 5.799
257 HB3 SER 37 2HB SER 37 -19.109 -6.885 6.956
258 HG SER 37 HG SER 37 -18.290 -5.735 8.542
259 H GLY 38 H GLY 38 -15.505 -8.429 4.835
260 HA2 GLY 38 1HA GLY 38 -15.655 -9.782 2.987
261 HA3 GLY 38 2HA GLY 38 -17.232 -10.240 3.611
262 HA PRO 39 HA PRO 39 -17.748 -6.552 0.470
263 HB2 PRO 39 1HB PRO 39 -15.753 -6.385 -1.363
264 HB3 PRO 39 2HB PRO 39 -15.741 -5.479 0.155
265 HG2 PRO 39 1HG PRO 39 -14.337 -8.030 -0.540
266 HG3 PRO 39 2HG PRO 39 -13.726 -6.623 0.349
267 HD2 PRO 39 1HD PRO 39 -14.565 -8.879 1.590
268 HD3 PRO 39 2HD PRO 39 -14.739 -7.268 2.316
269 H SER 40 H SER 40 -17.898 -6.578 -2.072
270 HA SER 40 HA SER 40 -18.718 -9.296 -2.794
271 HB2 SER 40 1HB SER 40 -19.970 -8.135 -4.641
272 HB3 SER 40 2HB SER 40 -20.476 -7.668 -3.017
273 HG SER 40 HG SER 40 -19.870 -6.022 -4.842
274 H SER 41 H SER 41 -16.857 -10.265 -3.501
275 HA SER 41 HA SER 41 -14.739 -9.319 -4.879
276 HB2 SER 41 1HB SER 41 -16.158 -11.935 -5.438
277 HB3 SER 41 2HB SER 41 -14.502 -11.555 -5.912
278 HG SER 41 HG SER 41 -14.894 -11.072 -3.282
279 H GLY 42 H GLY 42 -17.640 -10.632 -6.499
280 HA2 GLY 42 1HA GLY 42 -17.189 -8.702 -8.673
281 HA3 GLY 42 2HA GLY 42 -17.362 -10.407 -9.061
Start of MODEL 13
1 H1 GLY 1 H GLY 1 -7.179 -5.298 -18.615
2 HA2 GLY 1 1HA GLY 1 -5.342 -4.787 -17.143
3 HA3 GLY 1 2HA GLY 1 -4.344 -5.892 -18.077
4 H SER 2 H SER 2 -4.665 -2.771 -17.389
5 HA SER 2 HA SER 2 -3.563 -1.950 -19.984
6 HB2 SER 2 1HB SER 2 -4.794 0.179 -19.854
7 HB3 SER 2 2HB SER 2 -5.899 -1.194 -19.913
8 HG SER 2 HG SER 2 -6.065 0.650 -18.208
9 H SER 3 H SER 3 -4.024 -1.074 -16.575
10 HA SER 3 HA SER 3 -1.662 0.627 -16.646
11 HB2 SER 3 1HB SER 3 -3.672 0.031 -14.466
12 HB3 SER 3 2HB SER 3 -2.276 1.086 -14.248
13 HG SER 3 HG SER 3 -3.977 1.563 -16.415
14 H GLY 4 H GLY 4 0.271 -0.267 -16.394
15 HA2 GLY 4 1HA GLY 4 0.611 -2.307 -14.307
16 HA3 GLY 4 2HA GLY 4 1.187 -2.654 -15.931
17 H SER 5 H SER 5 3.239 -2.189 -16.346
18 HA SER 5 HA SER 5 4.921 -1.026 -14.394
19 HB2 SER 5 1HB SER 5 5.445 -2.678 -16.382
20 HB3 SER 5 2HB SER 5 5.760 -1.184 -17.264
21 HG SER 5 HG SER 5 7.613 -1.143 -16.298
22 H SER 6 H SER 6 4.675 1.053 -13.848
23 HA SER 6 HA SER 6 4.303 3.050 -15.964
24 HB2 SER 6 1HB SER 6 3.878 3.162 -12.974
25 HB3 SER 6 2HB SER 6 3.793 4.586 -14.011
26 HG SER 6 HG SER 6 1.990 2.549 -13.672
27 H GLY 7 H GLY 7 6.241 2.517 -13.020
28 HA2 GLY 7 1HA GLY 7 8.556 2.879 -12.828
29 HA3 GLY 7 2HA GLY 7 8.518 3.779 -14.337
30 H GLY 8 H GLY 8 7.464 3.959 -10.946
31 HA2 GLY 8 1HA GLY 8 8.040 6.853 -11.054
32 HA3 GLY 8 2HA GLY 8 6.590 6.244 -10.270
33 H GLU 9 H GLU 9 6.956 6.811 -8.191
34 HA GLU 9 HA GLU 9 9.117 5.407 -6.821
35 HB2 GLU 9 1HB GLU 9 9.529 7.565 -5.482
36 HB3 GLU 9 2HB GLU 9 10.230 7.445 -7.089
37 HG2 GLU 9 1HG GLU 9 8.612 8.889 -8.012
38 HG3 GLU 9 2HG GLU 9 7.596 8.788 -6.575
39 H LYS 10 H LYS 10 7.993 4.186 -5.450
40 HA LYS 10 HA LYS 10 6.315 5.467 -3.472
41 HB2 LYS 10 1HB LYS 10 5.176 3.250 -5.181
42 HB3 LYS 10 2HB LYS 10 4.366 4.076 -3.856
43 HG2 LYS 10 1HG LYS 10 4.542 6.191 -5.176
44 HG3 LYS 10 2HG LYS 10 5.139 5.224 -6.527
45 HD2 LYS 10 1HD LYS 10 3.105 4.247 -6.904
46 HD3 LYS 10 2HD LYS 10 2.606 4.382 -5.216
47 HE2 LYS 10 1HE LYS 10 1.264 5.977 -6.154
48 HE3 LYS 10 2HE LYS 10 2.673 6.960 -5.761
49 HZ1 LYS 10 3HZ LYS 10 1.932 7.407 -7.998
50 HZ2 LYS 10 1HZ LYS 10 2.057 5.771 -8.412
51 HZ3 LYS 10 2HZ LYS 10 3.449 6.660 -8.045
52 HA PRO 11 HA PRO 11 8.682 2.265 -1.391
53 HB2 PRO 11 1HB PRO 11 8.182 3.198 1.109
54 HB3 PRO 11 2HB PRO 11 9.403 3.907 0.045
55 HG2 PRO 11 1HG PRO 11 6.609 4.829 0.602
56 HG3 PRO 11 2HG PRO 11 8.098 5.784 0.472
57 HD2 PRO 11 1HD PRO 11 6.305 5.599 -1.548
58 HD3 PRO 11 2HD PRO 11 8.048 5.782 -1.832
59 H TYR 12 H TYR 12 5.444 3.345 -0.406
60 HA TYR 12 HA TYR 12 4.870 0.818 0.878
61 HB2 TYR 12 1HB TYR 12 2.952 3.079 0.296
62 HB3 TYR 12 2HB TYR 12 2.756 1.791 1.480
63 HD1 TYR 12 HD1 TYR 12 4.065 1.808 3.562
64 HD2 TYR 12 HD2 TYR 12 4.309 5.006 0.766
65 HE1 TYR 12 HE1 TYR 12 5.110 3.223 5.281
66 HE2 TYR 12 HE2 TYR 12 5.356 6.430 2.477
67 HH TYR 12 HH TYR 12 5.363 6.508 5.052
68 H LYS 13 H LYS 13 3.849 -0.873 0.008
69 HA LYS 13 HA LYS 13 2.405 -0.516 -2.524
70 HB2 LYS 13 1HB LYS 13 4.525 -1.358 -3.220
71 HB3 LYS 13 2HB LYS 13 4.549 -2.553 -1.931
72 HG2 LYS 13 1HG LYS 13 2.350 -3.377 -3.151
73 HG3 LYS 13 2HG LYS 13 3.119 -2.586 -4.528
74 HD2 LYS 13 1HD LYS 13 5.020 -3.983 -4.392
75 HD3 LYS 13 2HD LYS 13 4.566 -4.571 -2.791
76 HE2 LYS 13 1HE LYS 13 3.865 -6.343 -4.037
77 HE3 LYS 13 2HE LYS 13 2.405 -5.358 -4.111
78 HZ1 LYS 13 3HZ LYS 13 2.601 -5.525 -6.305
79 HZ2 LYS 13 1HZ LYS 13 4.175 -6.139 -6.215
80 HZ3 LYS 13 2HZ LYS 13 3.917 -4.468 -6.197
81 H CYS 14 H CYS 14 0.588 -1.743 -2.761
82 HA CYS 14 HA CYS 14 -0.372 -3.089 -0.377
83 HB2 CYS 14 1HB CYS 14 -1.916 -1.593 -1.463
84 HB3 CYS 14 2HB CYS 14 -1.697 -2.411 -3.007
85 H GLU 15 H GLU 15 0.080 -5.162 -0.069
86 HA GLU 15 HA GLU 15 0.871 -6.895 -2.208
87 HB2 GLU 15 1HB GLU 15 0.224 -7.585 0.664
88 HB3 GLU 15 2HB GLU 15 1.087 -8.603 -0.481
89 HG2 GLU 15 1HG GLU 15 2.792 -6.723 -0.623
90 HG3 GLU 15 2HG GLU 15 2.002 -6.055 0.804
91 H THR 16 H THR 16 -2.083 -6.218 -0.516
92 HA THR 16 HA THR 16 -3.533 -8.547 -0.982
93 HB THR 16 HB THR 16 -4.467 -5.679 -0.842
94 HG1 THR 16 HG1 THR 16 -4.128 -6.094 1.203
95 HG21 THR 16 3HG2 THR 16 -6.063 -8.232 -0.993
96 HG22 THR 16 1HG2 THR 16 -6.168 -6.827 -2.053
97 HG23 THR 16 2HG2 THR 16 -6.722 -6.715 -0.382
98 H CYS 17 H CYS 17 -2.947 -5.773 -3.084
99 HA CYS 17 HA CYS 17 -4.079 -7.326 -5.316
100 HB2 CYS 17 1HB CYS 17 -5.036 -5.354 -6.276
101 HB3 CYS 17 2HB CYS 17 -5.556 -5.418 -4.595
102 H GLY 18 H GLY 18 -1.799 -4.823 -4.297
103 HA2 GLY 18 1HA GLY 18 0.512 -5.173 -5.144
104 HA3 GLY 18 2HA GLY 18 -0.218 -5.414 -6.724
105 H ALA 19 H ALA 19 -1.672 -2.998 -4.795
106 HA ALA 19 HA ALA 19 -1.015 -0.952 -6.662
107 HB1 ALA 19 3HB ALA 19 -2.216 -0.565 -3.929
108 HB2 ALA 19 1HB ALA 19 -2.365 0.487 -5.337
109 HB3 ALA 19 2HB ALA 19 -3.140 -1.097 -5.334
110 H ARG 20 H ARG 20 -0.370 1.294 -5.539
111 HA ARG 20 HA ARG 20 1.797 0.985 -3.636
112 HB2 ARG 20 1HB ARG 20 2.224 1.722 -6.516
113 HB3 ARG 20 2HB ARG 20 3.301 2.334 -5.268
114 HG2 ARG 20 1HG ARG 20 3.894 0.080 -4.624
115 HG3 ARG 20 2HG ARG 20 2.746 -0.578 -5.791
116 HD2 ARG 20 1HD ARG 20 4.677 -0.721 -7.007
117 HD3 ARG 20 2HD ARG 20 4.134 0.888 -7.479
118 HE ARG 20 HE ARG 20 5.700 1.422 -5.368
119 HH11 ARG 20 1HH1 ARG 20 6.193 -0.553 -8.192
120 HH12 ARG 20 2HH1 ARG 20 7.907 -0.299 -8.230
121 HH21 ARG 20 1HH2 ARG 20 7.954 1.763 -5.407
122 HH22 ARG 20 2HH2 ARG 20 8.908 1.017 -6.644
123 H PHE 21 H PHE 21 2.629 3.044 -2.873
124 HA PHE 21 HA PHE 21 1.259 5.463 -3.641
125 HB2 PHE 21 1HB PHE 21 0.926 4.541 -0.789
126 HB3 PHE 21 2HB PHE 21 0.147 5.904 -1.586
127 HD1 PHE 21 HD2 PHE 21 0.389 2.194 -1.752
128 HD2 PHE 21 HD1 PHE 21 -1.983 5.661 -2.439
129 HE1 PHE 21 HE2 PHE 21 -1.534 0.764 -2.307
130 HE2 PHE 21 HE1 PHE 21 -3.911 4.236 -2.994
131 HZ PHE 21 HZ PHE 21 -3.687 1.784 -2.930
132 H VAL 22 H VAL 22 2.090 7.360 -2.503
133 HA VAL 22 HA VAL 22 4.922 7.119 -2.051
134 HB VAL 22 HB VAL 22 4.346 9.055 -3.234
135 HG11 VAL 22 1HG1 VAL 22 2.021 9.222 -2.918
136 HG12 VAL 22 2HG1 VAL 22 2.189 9.427 -1.174
137 HG13 VAL 22 3HG1 VAL 22 2.684 10.720 -2.266
138 HG21 VAL 22 3HG2 VAL 22 5.981 9.428 -1.406
139 HG22 VAL 22 1HG2 VAL 22 5.088 10.883 -1.850
140 HG23 VAL 22 2HG2 VAL 22 4.661 9.998 -0.385
141 H GLN 23 H GLN 23 2.058 7.765 -0.106
142 HA GLN 23 HA GLN 23 3.745 7.598 2.304
143 HB2 GLN 23 1HB GLN 23 1.489 9.429 1.625
144 HB3 GLN 23 2HB GLN 23 1.674 8.920 3.299
145 HG2 GLN 23 1HG GLN 23 3.997 10.042 1.792
146 HG3 GLN 23 2HG GLN 23 2.787 11.108 2.505
147 HE21 GLN 23 1HE2 GLN 23 4.206 11.988 3.980
148 HE22 GLN 23 2HE2 GLN 23 4.813 11.105 5.335
149 H VAL 24 H VAL 24 3.036 6.327 3.985
150 HA VAL 24 HA VAL 24 1.501 4.080 3.406
151 HB VAL 24 HB VAL 24 3.140 4.632 5.409
152 HG11 VAL 24 1HG1 VAL 24 0.450 4.950 6.728
153 HG12 VAL 24 2HG1 VAL 24 2.037 5.016 7.497
154 HG13 VAL 24 3HG1 VAL 24 1.544 6.288 6.379
155 HG21 VAL 24 3HG2 VAL 24 2.814 2.445 5.627
156 HG22 VAL 24 1HG2 VAL 24 1.362 2.779 6.571
157 HG23 VAL 24 2HG2 VAL 24 1.249 2.568 4.824
158 H ALA 25 H ALA 25 0.582 7.117 4.962
159 HA ALA 25 HA ALA 25 -1.922 6.528 5.912
160 HB1 ALA 25 3HB ALA 25 -1.674 9.097 4.465
161 HB2 ALA 25 1HB ALA 25 -2.234 8.764 6.104
162 HB3 ALA 25 2HB ALA 25 -0.506 8.784 5.750
163 H HIS 26 H HIS 26 -0.899 6.840 2.602
164 HA HIS 26 HA HIS 26 -3.594 6.968 1.561
165 HB2 HIS 26 1HB HIS 26 -1.071 6.437 -0.007
166 HB3 HIS 26 2HB HIS 26 -2.595 7.091 -0.601
167 HD1 HIS 26 HD1 HIS 26 -0.502 8.851 -1.402
168 HD2 HIS 26 HD2 HIS 26 -1.952 9.030 2.487
169 HE1 HIS 26 HE1 HIS 26 0.143 11.126 -0.548
170 H LEU 27 H LEU 27 -0.920 4.616 1.470
171 HA LEU 27 HA LEU 27 -2.319 2.577 0.152
172 HB2 LEU 27 1HB LEU 27 0.003 2.354 0.233
173 HB3 LEU 27 2HB LEU 27 0.057 2.609 1.976
174 HG LEU 27 HG LEU 27 -0.883 0.392 2.345
175 HD11 LEU 27 1HD1 LEU 27 -1.337 -1.136 0.578
176 HD12 LEU 27 2HD1 LEU 27 -0.714 -0.016 -0.633
177 HD13 LEU 27 3HD1 LEU 27 -2.210 0.355 0.223
178 HD21 LEU 27 3HD2 LEU 27 1.490 0.486 2.306
179 HD22 LEU 27 1HD2 LEU 27 1.525 0.523 0.544
180 HD23 LEU 27 2HD2 LEU 27 1.018 -0.942 1.384
181 H ARG 28 H ARG 28 -1.675 2.970 3.638
182 HA ARG 28 HA ARG 28 -3.150 0.782 4.526
183 HB2 ARG 28 1HB ARG 28 -3.000 1.705 6.688
184 HB3 ARG 28 2HB ARG 28 -1.563 2.277 5.852
185 HG2 ARG 28 1HG ARG 28 -2.655 4.430 5.452
186 HG3 ARG 28 2HG ARG 28 -4.088 3.853 6.306
187 HD2 ARG 28 1HD ARG 28 -2.285 3.349 8.190
188 HD3 ARG 28 2HD ARG 28 -1.430 4.649 7.361
189 HE ARG 28 HE ARG 28 -2.945 6.138 8.210
190 HH11 ARG 28 1HH1 ARG 28 -4.218 2.913 8.526
191 HH12 ARG 28 2HH1 ARG 28 -5.578 3.403 9.481
192 HH21 ARG 28 1HH2 ARG 28 -4.732 6.795 9.466
193 HH22 ARG 28 2HH2 ARG 28 -5.870 5.611 10.014
194 H ALA 29 H ALA 29 -4.210 3.790 3.260
195 HA ALA 29 HA ALA 29 -6.881 3.548 4.398
196 HB1 ALA 29 3HB ALA 29 -7.251 5.652 2.966
197 HB2 ALA 29 1HB ALA 29 -6.193 5.772 4.372
198 HB3 ALA 29 2HB ALA 29 -5.500 5.640 2.755
199 H HIS 30 H HIS 30 -5.190 2.481 1.679
200 HA HIS 30 HA HIS 30 -7.602 2.307 0.024
201 HB2 HIS 30 1HB HIS 30 -5.936 3.037 -1.385
202 HB3 HIS 30 2HB HIS 30 -4.673 2.167 -0.518
203 HD1 HIS 30 HD1 HIS 30 -7.007 1.883 -3.364
204 HD2 HIS 30 HD2 HIS 30 -4.452 -0.596 -1.221
205 HE1 HIS 30 HE1 HIS 30 -6.743 -0.187 -4.768
206 H VAL 31 H VAL 31 -5.260 0.340 1.735
207 HA VAL 31 HA VAL 31 -5.985 -2.171 0.691
208 HB VAL 31 HB VAL 31 -5.162 -2.909 3.105
209 HG11 VAL 31 1HG1 VAL 31 -2.962 -3.057 2.242
210 HG12 VAL 31 2HG1 VAL 31 -4.047 -3.187 0.856
211 HG13 VAL 31 3HG1 VAL 31 -3.208 -1.670 1.182
212 HG21 VAL 31 3HG2 VAL 31 -4.158 -1.354 4.394
213 HG22 VAL 31 1HG2 VAL 31 -3.559 -0.441 3.009
214 HG23 VAL 31 2HG2 VAL 31 -5.229 -0.243 3.540
215 H LEU 32 H LEU 32 -7.601 -0.063 2.846
216 HA LEU 32 HA LEU 32 -9.094 -1.971 4.320
217 HB2 LEU 32 1HB LEU 32 -9.923 0.846 3.665
218 HB3 LEU 32 2HB LEU 32 -10.449 -0.138 5.029
219 HG LEU 32 HG LEU 32 -7.642 0.899 4.639
220 HD11 LEU 32 1HD1 LEU 32 -8.592 2.163 6.827
221 HD12 LEU 32 2HD1 LEU 32 -10.049 2.091 5.836
222 HD13 LEU 32 3HD1 LEU 32 -8.591 2.856 5.205
223 HD21 LEU 32 3HD2 LEU 32 -7.226 -0.769 6.087
224 HD22 LEU 32 1HD2 LEU 32 -8.921 -0.938 6.541
225 HD23 LEU 32 2HD2 LEU 32 -7.935 0.328 7.273
226 H ILE 33 H ILE 33 -9.290 -0.859 1.104
227 HA ILE 33 HA ILE 33 -12.045 -1.089 0.604
228 HB ILE 33 HB ILE 33 -11.503 -1.211 -1.725
229 HG12 ILE 33 1HG1 ILE 33 -8.763 -2.021 -0.759
230 HG13 ILE 33 2HG1 ILE 33 -9.848 -2.915 -1.819
231 HG21 ILE 33 1HG2 ILE 33 -9.762 0.576 -0.074
232 HG22 ILE 33 2HG2 ILE 33 -9.686 0.624 -1.835
233 HG23 ILE 33 3HG2 ILE 33 -11.204 0.974 -1.008
234 HD11 ILE 33 3HD1 ILE 33 -8.286 -2.112 -3.293
235 HD12 ILE 33 1HD1 ILE 33 -9.540 -0.877 -3.399
236 HD13 ILE 33 2HD1 ILE 33 -8.096 -0.586 -2.430
237 H HIS 34 H HIS 34 -9.426 -3.470 0.393
238 HA HIS 34 HA HIS 34 -11.173 -5.579 -0.471
239 HB2 HIS 34 1HB HIS 34 -8.452 -6.021 0.726
240 HB3 HIS 34 2HB HIS 34 -9.270 -6.946 -0.531
241 HD1 HIS 34 HD1 HIS 34 -9.257 -5.924 -2.943
242 HD2 HIS 34 HD2 HIS 34 -6.958 -3.864 -0.161
243 HE1 HIS 34 HE1 HIS 34 -7.785 -4.392 -4.289
244 H THR 35 H THR 35 -9.147 -5.317 2.455
245 HA THR 35 HA THR 35 -10.365 -7.329 3.911
246 HB THR 35 HB THR 35 -8.259 -6.263 4.600
247 HG1 THR 35 HG1 THR 35 -8.681 -6.453 6.771
248 HG21 THR 35 3HG2 THR 35 -10.039 -3.943 5.352
249 HG22 THR 35 1HG2 THR 35 -8.759 -3.944 4.140
250 HG23 THR 35 2HG2 THR 35 -8.356 -4.117 5.849
251 H GLY 36 H GLY 36 -11.270 -3.931 3.612
252 HA2 GLY 36 1HA GLY 36 -13.278 -2.890 4.044
253 HA3 GLY 36 2HA GLY 36 -13.978 -4.480 4.308
254 H SER 37 H SER 37 -15.006 -2.736 5.907
255 HA SER 37 HA SER 37 -13.478 -2.339 8.319
256 HB2 SER 37 1HB SER 37 -15.519 -1.285 9.184
257 HB3 SER 37 2HB SER 37 -15.127 -0.664 7.580
258 HG SER 37 HG SER 37 -16.649 -2.647 7.057
259 H GLY 38 H GLY 38 -14.870 -2.853 10.437
260 HA2 GLY 38 1HA GLY 38 -14.612 -5.489 11.045
261 HA3 GLY 38 2HA GLY 38 -15.791 -4.448 11.828
262 HA PRO 39 HA PRO 39 -17.691 -7.769 8.887
263 HB2 PRO 39 1HB PRO 39 -17.844 -9.932 10.519
264 HB3 PRO 39 2HB PRO 39 -16.478 -9.640 9.437
265 HG2 PRO 39 1HG PRO 39 -16.720 -9.095 12.370
266 HG3 PRO 39 2HG PRO 39 -15.359 -9.790 11.470
267 HD2 PRO 39 1HD PRO 39 -15.419 -7.197 12.250
268 HD3 PRO 39 2HD PRO 39 -14.615 -7.728 10.759
269 H SER 40 H SER 40 -18.110 -7.792 12.433
270 HA SER 40 HA SER 40 -20.773 -6.730 12.210
271 HB2 SER 40 1HB SER 40 -20.990 -9.233 11.742
272 HB3 SER 40 2HB SER 40 -20.532 -9.483 13.426
273 HG SER 40 HG SER 40 -22.922 -8.801 12.411
274 H SER 41 H SER 41 -21.847 -6.853 14.507
275 HA SER 41 HA SER 41 -20.010 -5.577 16.296
276 HB2 SER 41 1HB SER 41 -22.519 -5.061 15.959
277 HB3 SER 41 2HB SER 41 -22.803 -6.430 17.034
278 HG SER 41 HG SER 41 -21.087 -5.139 18.348
279 H GLY 42 H GLY 42 -18.774 -6.520 17.774
280 HA2 GLY 42 1HA GLY 42 -19.267 -8.202 19.754
281 HA3 GLY 42 2HA GLY 42 -19.222 -9.335 18.412
Start of MODEL 14
1 H1 GLY 1 H GLY 1 -8.358 7.910 -16.068
2 HA2 GLY 1 1HA GLY 1 -6.738 10.308 -16.572
3 HA3 GLY 1 2HA GLY 1 -7.249 9.728 -14.994
4 H SER 2 H SER 2 -6.362 7.439 -14.489
5 HA SER 2 HA SER 2 -3.611 7.600 -14.211
6 HB2 SER 2 1HB SER 2 -5.558 5.322 -14.029
7 HB3 SER 2 2HB SER 2 -3.828 5.018 -13.871
8 HG SER 2 HG SER 2 -4.334 7.077 -12.341
9 H SER 3 H SER 3 -5.452 5.630 -16.538
10 HA SER 3 HA SER 3 -4.770 4.482 -18.402
11 HB2 SER 3 1HB SER 3 -4.956 6.814 -19.210
12 HB3 SER 3 2HB SER 3 -3.252 7.066 -18.836
13 HG SER 3 HG SER 3 -2.712 5.557 -20.394
14 H GLY 4 H GLY 4 -3.251 3.725 -16.205
15 HA2 GLY 4 1HA GLY 4 -1.435 2.093 -16.489
16 HA3 GLY 4 2HA GLY 4 -0.606 3.305 -17.454
17 H SER 5 H SER 5 1.028 4.238 -16.442
18 HA SER 5 HA SER 5 1.005 4.329 -13.509
19 HB2 SER 5 1HB SER 5 3.443 4.652 -13.687
20 HB3 SER 5 2HB SER 5 2.925 3.189 -14.525
21 HG SER 5 HG SER 5 3.167 4.223 -16.466
22 H SER 6 H SER 6 1.417 6.221 -12.380
23 HA SER 6 HA SER 6 1.126 8.691 -13.958
24 HB2 SER 6 1HB SER 6 -0.695 7.976 -12.261
25 HB3 SER 6 2HB SER 6 0.466 8.472 -11.029
26 HG SER 6 HG SER 6 -0.698 10.269 -11.445
27 H GLY 7 H GLY 7 2.407 7.676 -10.780
28 HA2 GLY 7 1HA GLY 7 4.424 9.777 -10.941
29 HA3 GLY 7 2HA GLY 7 4.083 8.765 -9.546
30 H GLY 8 H GLY 8 5.601 7.333 -9.056
31 HA2 GLY 8 1HA GLY 8 6.776 5.511 -10.785
32 HA3 GLY 8 2HA GLY 8 7.850 6.901 -10.739
33 H GLU 9 H GLU 9 7.693 7.686 -8.123
34 HA GLU 9 HA GLU 9 9.072 5.472 -6.806
35 HB2 GLU 9 1HB GLU 9 9.724 7.281 -5.153
36 HB3 GLU 9 2HB GLU 9 10.351 7.463 -6.785
37 HG2 GLU 9 1HG GLU 9 8.804 9.176 -7.291
38 HG3 GLU 9 2HG GLU 9 7.865 8.852 -5.835
39 H LYS 10 H LYS 10 8.127 4.296 -5.286
40 HA LYS 10 HA LYS 10 6.274 5.451 -3.407
41 HB2 LYS 10 1HB LYS 10 5.306 3.254 -5.245
42 HB3 LYS 10 2HB LYS 10 4.406 3.971 -3.915
43 HG2 LYS 10 1HG LYS 10 4.561 6.165 -5.130
44 HG3 LYS 10 2HG LYS 10 5.203 5.267 -6.507
45 HD2 LYS 10 1HD LYS 10 3.202 4.175 -6.894
46 HD3 LYS 10 2HD LYS 10 2.642 4.398 -5.235
47 HE2 LYS 10 1HE LYS 10 1.373 5.818 -6.724
48 HE3 LYS 10 2HE LYS 10 2.386 6.809 -5.676
49 HZ1 LYS 10 3HZ LYS 10 3.004 6.081 -8.489
50 HZ2 LYS 10 1HZ LYS 10 3.974 7.034 -7.482
51 HZ3 LYS 10 2HZ LYS 10 2.450 7.589 -7.959
52 HA PRO 11 HA PRO 11 8.700 2.256 -1.348
53 HB2 PRO 11 1HB PRO 11 8.220 3.196 1.153
54 HB3 PRO 11 2HB PRO 11 9.440 3.895 0.081
55 HG2 PRO 11 1HG PRO 11 6.656 4.837 0.652
56 HG3 PRO 11 2HG PRO 11 8.150 5.782 0.513
57 HD2 PRO 11 1HD PRO 11 6.345 5.607 -1.498
58 HD3 PRO 11 2HD PRO 11 8.088 5.777 -1.791
59 H TYR 12 H TYR 12 5.449 3.340 -0.440
60 HA TYR 12 HA TYR 12 4.870 0.830 0.889
61 HB2 TYR 12 1HB TYR 12 2.965 3.097 0.287
62 HB3 TYR 12 2HB TYR 12 2.756 1.815 1.475
63 HD1 TYR 12 HD1 TYR 12 4.060 1.832 3.562
64 HD2 TYR 12 HD2 TYR 12 4.325 5.021 0.757
65 HE1 TYR 12 HE1 TYR 12 5.103 3.249 5.280
66 HE2 TYR 12 HE2 TYR 12 5.370 6.446 2.467
67 HH TYR 12 HH TYR 12 5.418 5.620 5.769
68 H LYS 13 H LYS 13 3.871 -0.868 0.013
69 HA LYS 13 HA LYS 13 2.423 -0.518 -2.519
70 HB2 LYS 13 1HB LYS 13 4.535 -1.360 -3.223
71 HB3 LYS 13 2HB LYS 13 4.580 -2.538 -1.918
72 HG2 LYS 13 1HG LYS 13 2.423 -3.460 -3.071
73 HG3 LYS 13 2HG LYS 13 3.055 -2.598 -4.476
74 HD2 LYS 13 1HD LYS 13 4.859 -3.985 -4.685
75 HD3 LYS 13 2HD LYS 13 4.926 -4.338 -2.957
76 HE2 LYS 13 1HE LYS 13 2.831 -5.676 -3.238
77 HE3 LYS 13 2HE LYS 13 2.981 -5.441 -4.979
78 HZ1 LYS 13 3HZ LYS 13 4.694 -7.011 -3.170
79 HZ2 LYS 13 1HZ LYS 13 5.325 -6.412 -4.620
80 HZ3 LYS 13 2HZ LYS 13 4.002 -7.464 -4.645
81 H CYS 14 H CYS 14 0.604 -1.739 -2.748
82 HA CYS 14 HA CYS 14 -0.350 -3.090 -0.363
83 HB2 CYS 14 1HB CYS 14 -1.876 -1.569 -1.473
84 HB3 CYS 14 2HB CYS 14 -1.699 -2.443 -2.991
85 H GLU 15 H GLU 15 0.106 -5.163 -0.064
86 HA GLU 15 HA GLU 15 0.884 -6.892 -2.210
87 HB2 GLU 15 1HB GLU 15 0.249 -7.588 0.662
88 HB3 GLU 15 2HB GLU 15 1.104 -8.605 -0.489
89 HG2 GLU 15 1HG GLU 15 2.809 -6.719 -0.634
90 HG3 GLU 15 2HG GLU 15 2.031 -6.067 0.806
91 H THR 16 H THR 16 -2.061 -6.221 -0.498
92 HA THR 16 HA THR 16 -3.516 -8.545 -0.965
93 HB THR 16 HB THR 16 -4.441 -5.674 -0.815
94 HG1 THR 16 HG1 THR 16 -3.943 -7.721 0.994
95 HG21 THR 16 3HG2 THR 16 -6.044 -8.219 -1.002
96 HG22 THR 16 1HG2 THR 16 -6.154 -6.788 -2.027
97 HG23 THR 16 2HG2 THR 16 -6.700 -6.717 -0.351
98 H CYS 17 H CYS 17 -2.978 -5.748 -3.059
99 HA CYS 17 HA CYS 17 -4.108 -7.305 -5.289
100 HB2 CYS 17 1HB CYS 17 -5.038 -5.309 -6.252
101 HB3 CYS 17 2HB CYS 17 -5.589 -5.412 -4.583
102 H GLY 18 H GLY 18 -1.814 -4.809 -4.283
103 HA2 GLY 18 1HA GLY 18 0.492 -5.167 -5.142
104 HA3 GLY 18 2HA GLY 18 -0.248 -5.405 -6.719
105 H ALA 19 H ALA 19 -1.697 -2.987 -4.795
106 HA ALA 19 HA ALA 19 -1.031 -0.942 -6.660
107 HB1 ALA 19 3HB ALA 19 -2.479 0.432 -5.473
108 HB2 ALA 19 1HB ALA 19 -3.136 -1.180 -5.188
109 HB3 ALA 19 2HB ALA 19 -2.166 -0.390 -3.944
110 H ARG 20 H ARG 20 -0.381 1.303 -5.542
111 HA ARG 20 HA ARG 20 1.782 0.988 -3.634
112 HB2 ARG 20 1HB ARG 20 2.220 1.815 -6.497
113 HB3 ARG 20 2HB ARG 20 3.327 2.289 -5.216
114 HG2 ARG 20 1HG ARG 20 3.911 0.035 -4.766
115 HG3 ARG 20 2HG ARG 20 2.607 -0.571 -5.789
116 HD2 ARG 20 1HD ARG 20 4.965 1.039 -6.758
117 HD3 ARG 20 2HD ARG 20 4.829 -0.716 -6.862
118 HE ARG 20 HE ARG 20 3.553 1.224 -8.551
119 HH11 ARG 20 1HH1 ARG 20 3.383 -2.015 -7.285
120 HH12 ARG 20 2HH1 ARG 20 2.425 -2.617 -8.597
121 HH21 ARG 20 1HH2 ARG 20 2.292 0.443 -10.284
122 HH22 ARG 20 2HH2 ARG 20 1.806 -1.219 -10.303
123 H PHE 21 H PHE 21 2.629 3.054 -2.883
124 HA PHE 21 HA PHE 21 1.254 5.471 -3.636
125 HB2 PHE 21 1HB PHE 21 0.921 4.539 -0.787
126 HB3 PHE 21 2HB PHE 21 0.145 5.908 -1.577
127 HD1 PHE 21 HD2 PHE 21 0.370 2.198 -1.732
128 HD2 PHE 21 HD1 PHE 21 -1.978 5.674 -2.457
129 HE1 PHE 21 HE2 PHE 21 -1.557 0.775 -2.293
130 HE2 PHE 21 HE1 PHE 21 -3.909 4.256 -3.018
131 HZ PHE 21 HZ PHE 21 -3.700 1.804 -2.938
132 H VAL 22 H VAL 22 2.093 7.366 -2.512
133 HA VAL 22 HA VAL 22 4.923 7.120 -2.054
134 HB VAL 22 HB VAL 22 4.352 9.058 -3.236
135 HG11 VAL 22 1HG1 VAL 22 2.699 10.724 -2.024
136 HG12 VAL 22 2HG1 VAL 22 2.103 9.422 -3.055
137 HG13 VAL 22 3HG1 VAL 22 2.101 9.231 -1.301
138 HG21 VAL 22 3HG2 VAL 22 5.979 9.425 -1.394
139 HG22 VAL 22 1HG2 VAL 22 5.099 10.882 -1.856
140 HG23 VAL 22 2HG2 VAL 22 4.653 10.010 -0.389
141 H GLN 23 H GLN 23 2.060 7.757 -0.109
142 HA GLN 23 HA GLN 23 3.747 7.594 2.301
143 HB2 GLN 23 1HB GLN 23 1.479 9.416 1.631
144 HB3 GLN 23 2HB GLN 23 1.687 8.915 3.303
145 HG2 GLN 23 1HG GLN 23 3.998 10.028 1.778
146 HG3 GLN 23 2HG GLN 23 2.783 11.106 2.463
147 HE21 GLN 23 1HE2 GLN 23 4.138 12.026 3.953
148 HE22 GLN 23 2HE2 GLN 23 4.762 11.170 5.318
149 H VAL 24 H VAL 24 3.027 6.337 3.992
150 HA VAL 24 HA VAL 24 1.500 4.081 3.411
151 HB VAL 24 HB VAL 24 3.136 4.638 5.416
152 HG11 VAL 24 1HG1 VAL 24 2.018 5.010 7.504
153 HG12 VAL 24 2HG1 VAL 24 1.551 6.295 6.388
154 HG13 VAL 24 3HG1 VAL 24 0.439 4.966 6.721
155 HG21 VAL 24 3HG2 VAL 24 1.362 2.784 6.580
156 HG22 VAL 24 1HG2 VAL 24 1.246 2.573 4.833
157 HG23 VAL 24 2HG2 VAL 24 2.812 2.450 5.633
158 H ALA 25 H ALA 25 0.575 7.121 4.957
159 HA ALA 25 HA ALA 25 -1.931 6.529 5.905
160 HB1 ALA 25 3HB ALA 25 -0.467 8.837 5.500
161 HB2 ALA 25 1HB ALA 25 -1.922 9.087 4.535
162 HB3 ALA 25 2HB ALA 25 -2.056 8.725 6.256
163 H HIS 26 H HIS 26 -0.899 6.831 2.597
164 HA HIS 26 HA HIS 26 -3.594 6.956 1.550
165 HB2 HIS 26 1HB HIS 26 -1.073 6.425 -0.019
166 HB3 HIS 26 2HB HIS 26 -2.594 7.089 -0.606
167 HD1 HIS 26 HD1 HIS 26 -0.568 8.874 -1.431
168 HD2 HIS 26 HD2 HIS 26 -1.861 8.980 2.515
169 HE1 HIS 26 HE1 HIS 26 0.109 11.135 -0.563
170 H LEU 27 H LEU 27 -0.915 4.610 1.474
171 HA LEU 27 HA LEU 27 -2.306 2.567 0.152
172 HB2 LEU 27 1HB LEU 27 0.013 2.339 0.233
173 HB3 LEU 27 2HB LEU 27 0.071 2.614 1.973
174 HG LEU 27 HG LEU 27 -0.873 0.399 2.365
175 HD11 LEU 27 1HD1 LEU 27 -0.677 -0.048 -0.605
176 HD12 LEU 27 2HD1 LEU 27 -2.182 0.337 0.230
177 HD13 LEU 27 3HD1 LEU 27 -1.315 -1.150 0.616
178 HD21 LEU 27 3HD2 LEU 27 1.040 -0.938 1.449
179 HD22 LEU 27 1HD2 LEU 27 1.504 0.514 2.335
180 HD23 LEU 27 2HD2 LEU 27 1.545 0.507 0.572
181 H ARG 28 H ARG 28 -1.674 2.970 3.639
182 HA ARG 28 HA ARG 28 -3.150 0.778 4.522
183 HB2 ARG 28 1HB ARG 28 -3.004 1.700 6.687
184 HB3 ARG 28 2HB ARG 28 -1.559 2.259 5.854
185 HG2 ARG 28 1HG ARG 28 -2.642 4.419 5.444
186 HG3 ARG 28 2HG ARG 28 -4.071 3.855 6.312
187 HD2 ARG 28 1HD ARG 28 -2.605 3.481 8.305
188 HD3 ARG 28 2HD ARG 28 -1.298 4.264 7.418
189 HE ARG 28 HE ARG 28 -3.572 5.933 7.450
190 HH11 ARG 28 1HH1 ARG 28 -1.052 4.734 9.531
191 HH12 ARG 28 2HH1 ARG 28 -1.079 6.115 10.576
192 HH21 ARG 28 1HH2 ARG 28 -3.617 7.757 8.819
193 HH22 ARG 28 2HH2 ARG 28 -2.539 7.834 10.171
194 H ALA 29 H ALA 29 -4.204 3.778 3.246
195 HA ALA 29 HA ALA 29 -6.875 3.548 4.391
196 HB1 ALA 29 3HB ALA 29 -5.391 5.647 2.903
197 HB2 ALA 29 1HB ALA 29 -7.151 5.635 2.787
198 HB3 ALA 29 2HB ALA 29 -6.371 5.771 4.364
199 H HIS 30 H HIS 30 -5.188 2.473 1.672
200 HA HIS 30 HA HIS 30 -7.600 2.301 0.018
201 HB2 HIS 30 1HB HIS 30 -5.933 3.023 -1.394
202 HB3 HIS 30 2HB HIS 30 -4.673 2.153 -0.524
203 HD1 HIS 30 HD1 HIS 30 -7.003 1.866 -3.371
204 HD2 HIS 30 HD2 HIS 30 -4.461 -0.615 -1.217
205 HE1 HIS 30 HE1 HIS 30 -6.745 -0.208 -4.769
206 H VAL 31 H VAL 31 -5.252 0.327 1.717
207 HA VAL 31 HA VAL 31 -5.984 -2.182 0.684
208 HB VAL 31 HB VAL 31 -5.172 -2.915 3.104
209 HG11 VAL 31 1HG1 VAL 31 -2.910 -2.956 2.265
210 HG12 VAL 31 2HG1 VAL 31 -4.028 -3.305 0.945
211 HG13 VAL 31 3HG1 VAL 31 -3.291 -1.708 1.079
212 HG21 VAL 31 3HG2 VAL 31 -3.554 -0.459 3.009
213 HG22 VAL 31 1HG2 VAL 31 -5.228 -0.244 3.521
214 HG23 VAL 31 2HG2 VAL 31 -4.175 -1.358 4.394
215 H LEU 32 H LEU 32 -7.586 -0.074 2.861
216 HA LEU 32 HA LEU 32 -9.090 -1.973 4.326
217 HB2 LEU 32 1HB LEU 32 -9.892 0.850 3.652
218 HB3 LEU 32 2HB LEU 32 -10.467 -0.130 5.000
219 HG LEU 32 HG LEU 32 -7.641 0.879 4.684
220 HD11 LEU 32 1HD1 LEU 32 -10.059 2.111 5.765
221 HD12 LEU 32 2HD1 LEU 32 -8.521 2.839 5.301
222 HD13 LEU 32 3HD1 LEU 32 -8.699 2.093 6.889
223 HD21 LEU 32 3HD2 LEU 32 -7.097 -0.424 6.399
224 HD22 LEU 32 1HD2 LEU 32 -8.666 -1.210 6.227
225 HD23 LEU 32 2HD2 LEU 32 -8.476 0.145 7.340
226 H ILE 33 H ILE 33 -9.317 -0.799 1.115
227 HA ILE 33 HA ILE 33 -12.049 -1.041 0.598
228 HB ILE 33 HB ILE 33 -11.496 -1.218 -1.729
229 HG12 ILE 33 1HG1 ILE 33 -8.770 -2.034 -0.727
230 HG13 ILE 33 2HG1 ILE 33 -9.855 -2.938 -1.777
231 HG21 ILE 33 1HG2 ILE 33 -9.767 0.588 -0.089
232 HG22 ILE 33 2HG2 ILE 33 -9.646 0.594 -1.847
233 HG23 ILE 33 3HG2 ILE 33 -11.181 0.978 -1.068
234 HD11 ILE 33 3HD1 ILE 33 -9.525 -0.970 -3.413
235 HD12 ILE 33 1HD1 ILE 33 -8.111 -0.606 -2.424
236 HD13 ILE 33 2HD1 ILE 33 -8.243 -2.168 -3.233
237 H HIS 34 H HIS 34 -9.467 -3.467 0.417
238 HA HIS 34 HA HIS 34 -11.236 -5.562 -0.423
239 HB2 HIS 34 1HB HIS 34 -8.547 -6.039 0.827
240 HB3 HIS 34 2HB HIS 34 -9.356 -6.956 -0.441
241 HD1 HIS 34 HD1 HIS 34 -9.260 -5.962 -2.859
242 HD2 HIS 34 HD2 HIS 34 -7.006 -3.904 -0.040
243 HE1 HIS 34 HE1 HIS 34 -7.734 -4.464 -4.182
244 H THR 35 H THR 35 -9.362 -5.074 2.576
245 HA THR 35 HA THR 35 -10.783 -7.084 4.004
246 HB THR 35 HB THR 35 -8.476 -6.388 4.592
247 HG1 THR 35 HG1 THR 35 -8.832 -6.806 6.691
248 HG21 THR 35 3HG2 THR 35 -9.794 -3.916 5.719
249 HG22 THR 35 1HG2 THR 35 -8.809 -3.954 4.258
250 HG23 THR 35 2HG2 THR 35 -8.085 -4.338 5.819
251 H GLY 36 H GLY 36 -12.562 -6.961 5.256
252 HA2 GLY 36 1HA GLY 36 -13.761 -4.284 5.626
253 HA3 GLY 36 2HA GLY 36 -14.713 -5.715 5.256
254 H SER 37 H SER 37 -15.794 -4.768 7.267
255 HA SER 37 HA SER 37 -14.444 -5.614 9.728
256 HB2 SER 37 1HB SER 37 -16.771 -3.792 9.165
257 HB3 SER 37 2HB SER 37 -16.498 -4.439 10.783
258 HG SER 37 HG SER 37 -15.495 -2.369 10.370
259 H GLY 38 H GLY 38 -17.562 -5.967 8.048
260 HA2 GLY 38 1HA GLY 38 -17.788 -8.669 9.131
261 HA3 GLY 38 2HA GLY 38 -19.063 -7.540 9.562
262 HA PRO 39 HA PRO 39 -19.487 -9.458 5.152
263 HB2 PRO 39 1HB PRO 39 -20.732 -11.811 5.684
264 HB3 PRO 39 2HB PRO 39 -18.976 -11.665 5.538
265 HG2 PRO 39 1HG PRO 39 -20.671 -11.762 8.004
266 HG3 PRO 39 2HG PRO 39 -19.132 -12.576 7.672
267 HD2 PRO 39 1HD PRO 39 -19.294 -10.317 9.155
268 HD3 PRO 39 2HD PRO 39 -17.889 -10.691 8.135
269 H SER 40 H SER 40 -20.982 -7.683 5.147
270 HA SER 40 HA SER 40 -23.659 -8.196 6.188
271 HB2 SER 40 1HB SER 40 -22.812 -5.987 6.626
272 HB3 SER 40 2HB SER 40 -22.403 -5.750 4.927
273 HG SER 40 HG SER 40 -25.021 -6.083 5.978
274 H SER 41 H SER 41 -22.083 -7.425 3.098
275 HA SER 41 HA SER 41 -24.278 -8.798 1.719
276 HB2 SER 41 1HB SER 41 -24.897 -6.520 1.433
277 HB3 SER 41 2HB SER 41 -23.234 -6.032 1.110
278 HG SER 41 HG SER 41 -23.332 -7.071 -0.861
279 H GLY 42 H GLY 42 -23.548 -10.275 0.339
280 HA2 GLY 42 1HA GLY 42 -21.469 -9.949 -1.490
281 HA3 GLY 42 2HA GLY 42 -20.783 -10.713 -0.064
Start of MODEL 15
1 H1 GLY 1 H GLY 1 -1.669 -8.434 -21.170
2 HA2 GLY 1 1HA GLY 1 -0.076 -6.065 -21.821
3 HA3 GLY 1 2HA GLY 1 -0.731 -6.470 -20.241
4 H SER 2 H SER 2 1.788 -7.249 -22.579
5 HA SER 2 HA SER 2 3.290 -8.638 -20.473
6 HB2 SER 2 1HB SER 2 3.590 -8.611 -23.481
7 HB3 SER 2 2HB SER 2 4.766 -9.359 -22.401
8 HG SER 2 HG SER 2 2.024 -10.022 -22.283
9 H SER 3 H SER 3 3.837 -6.642 -19.410
10 HA SER 3 HA SER 3 6.379 -5.661 -20.117
11 HB2 SER 3 1HB SER 3 5.227 -4.411 -21.848
12 HB3 SER 3 2HB SER 3 4.063 -3.793 -20.676
13 HG SER 3 HG SER 3 6.856 -3.313 -20.543
14 H GLY 4 H GLY 4 7.344 -4.714 -18.387
15 HA2 GLY 4 1HA GLY 4 6.185 -4.928 -15.853
16 HA3 GLY 4 2HA GLY 4 7.634 -4.005 -16.225
17 H SER 5 H SER 5 4.813 -3.708 -14.748
18 HA SER 5 HA SER 5 4.131 -1.064 -15.802
19 HB2 SER 5 1HB SER 5 2.130 -1.234 -14.372
20 HB3 SER 5 2HB SER 5 2.275 -2.629 -15.441
21 HG SER 5 HG SER 5 2.859 -2.476 -12.675
22 H SER 6 H SER 6 6.054 -0.046 -14.996
23 HA SER 6 HA SER 6 6.779 -0.017 -12.272
24 HB2 SER 6 1HB SER 6 8.179 1.897 -12.847
25 HB3 SER 6 2HB SER 6 8.294 0.671 -14.109
26 HG SER 6 HG SER 6 7.727 2.207 -15.412
27 H GLY 7 H GLY 7 6.632 1.791 -10.775
28 HA2 GLY 7 1HA GLY 7 4.244 3.470 -11.203
29 HA3 GLY 7 2HA GLY 7 4.457 2.578 -9.704
30 H GLY 8 H GLY 8 6.457 4.717 -11.751
31 HA2 GLY 8 1HA GLY 8 8.032 6.289 -11.094
32 HA3 GLY 8 2HA GLY 8 6.635 6.944 -10.253
33 H GLU 9 H GLU 9 7.125 7.461 -8.236
34 HA GLU 9 HA GLU 9 8.995 5.726 -6.762
35 HB2 GLU 9 1HB GLU 9 9.524 7.688 -5.381
36 HB3 GLU 9 2HB GLU 9 9.867 7.979 -7.081
37 HG2 GLU 9 1HG GLU 9 7.456 8.995 -7.079
38 HG3 GLU 9 2HG GLU 9 7.748 9.143 -5.347
39 H LYS 10 H LYS 10 7.988 4.446 -5.372
40 HA LYS 10 HA LYS 10 6.127 5.536 -3.461
41 HB2 LYS 10 1HB LYS 10 5.197 3.327 -5.303
42 HB3 LYS 10 2HB LYS 10 4.291 4.020 -3.964
43 HG2 LYS 10 1HG LYS 10 4.372 6.216 -5.170
44 HG3 LYS 10 2HG LYS 10 5.047 5.351 -6.552
45 HD2 LYS 10 1HD LYS 10 3.083 4.240 -6.988
46 HD3 LYS 10 2HD LYS 10 2.531 4.340 -5.314
47 HE2 LYS 10 1HE LYS 10 1.137 5.843 -6.386
48 HE3 LYS 10 2HE LYS 10 2.414 6.890 -5.769
49 HZ1 LYS 10 3HZ LYS 10 2.269 5.821 -8.537
50 HZ2 LYS 10 1HZ LYS 10 3.450 6.873 -7.937
51 HZ3 LYS 10 2HZ LYS 10 1.847 7.393 -8.074
52 HA PRO 11 HA PRO 11 8.663 2.385 -1.464
53 HB2 PRO 11 1HB PRO 11 8.207 3.301 1.050
54 HB3 PRO 11 2HB PRO 11 9.393 4.032 -0.038
55 HG2 PRO 11 1HG PRO 11 6.601 4.912 0.585
56 HG3 PRO 11 2HG PRO 11 8.072 5.888 0.427
57 HD2 PRO 11 1HD PRO 11 6.237 5.687 -1.554
58 HD3 PRO 11 2HD PRO 11 7.970 5.895 -1.876
59 H TYR 12 H TYR 12 5.422 3.409 -0.438
60 HA TYR 12 HA TYR 12 4.913 0.882 0.875
61 HB2 TYR 12 1HB TYR 12 2.967 3.123 0.299
62 HB3 TYR 12 2HB TYR 12 2.768 1.820 1.465
63 HD1 TYR 12 HD1 TYR 12 4.039 1.823 3.563
64 HD2 TYR 12 HD2 TYR 12 4.337 5.041 0.795
65 HE1 TYR 12 HE1 TYR 12 5.067 3.220 5.307
66 HE2 TYR 12 HE2 TYR 12 5.367 6.446 2.531
67 HH TYR 12 HH TYR 12 5.267 6.433 5.208
68 H LYS 13 H LYS 13 3.911 -0.835 0.034
69 HA LYS 13 HA LYS 13 2.471 -0.527 -2.511
70 HB2 LYS 13 1HB LYS 13 4.588 -1.412 -3.160
71 HB3 LYS 13 2HB LYS 13 4.587 -2.568 -1.834
72 HG2 LYS 13 1HG LYS 13 2.417 -3.444 -3.027
73 HG3 LYS 13 2HG LYS 13 3.139 -2.652 -4.430
74 HD2 LYS 13 1HD LYS 13 4.916 -4.099 -4.503
75 HD3 LYS 13 2HD LYS 13 4.854 -4.433 -2.770
76 HE2 LYS 13 1HE LYS 13 3.125 -5.967 -3.003
77 HE3 LYS 13 2HE LYS 13 2.632 -5.322 -4.568
78 HZ1 LYS 13 3HZ LYS 13 4.646 -7.297 -3.939
79 HZ2 LYS 13 1HZ LYS 13 5.130 -6.145 -5.080
80 HZ3 LYS 13 2HZ LYS 13 3.747 -7.079 -5.355
81 H CYS 14 H CYS 14 0.633 -1.717 -2.722
82 HA CYS 14 HA CYS 14 -0.382 -2.973 -0.319
83 HB2 CYS 14 1HB CYS 14 -1.934 -1.564 -1.445
84 HB3 CYS 14 2HB CYS 14 -1.609 -2.328 -2.997
85 H GLU 15 H GLU 15 0.085 -5.026 0.093
86 HA GLU 15 HA GLU 15 0.894 -6.860 -1.952
87 HB2 GLU 15 1HB GLU 15 0.226 -7.409 0.944
88 HB3 GLU 15 2HB GLU 15 1.096 -8.483 -0.142
89 HG2 GLU 15 1HG GLU 15 2.799 -6.601 -0.365
90 HG3 GLU 15 2HG GLU 15 2.004 -5.880 1.033
91 H THR 16 H THR 16 -2.076 -6.083 -0.348
92 HA THR 16 HA THR 16 -3.522 -8.440 -0.703
93 HB THR 16 HB THR 16 -4.438 -5.565 -0.686
94 HG1 THR 16 HG1 THR 16 -3.619 -6.436 1.286
95 HG21 THR 16 3HG2 THR 16 -6.156 -6.651 -1.876
96 HG22 THR 16 1HG2 THR 16 -6.714 -6.624 -0.204
97 HG23 THR 16 2HG2 THR 16 -6.039 -8.104 -0.885
98 H CYS 17 H CYS 17 -2.914 -5.772 -2.931
99 HA CYS 17 HA CYS 17 -4.011 -7.434 -5.098
100 HB2 CYS 17 1HB CYS 17 -4.940 -5.482 -6.174
101 HB3 CYS 17 2HB CYS 17 -5.552 -5.561 -4.525
102 H GLY 18 H GLY 18 -1.795 -4.830 -4.188
103 HA2 GLY 18 1HA GLY 18 0.537 -5.219 -5.005
104 HA3 GLY 18 2HA GLY 18 -0.191 -5.485 -6.582
105 H ALA 19 H ALA 19 -1.692 -3.050 -4.738
106 HA ALA 19 HA ALA 19 -1.030 -1.030 -6.619
107 HB1 ALA 19 3HB ALA 19 -3.059 -1.339 -4.900
108 HB2 ALA 19 1HB ALA 19 -2.066 -0.212 -3.976
109 HB3 ALA 19 2HB ALA 19 -2.614 0.219 -5.596
110 H ARG 20 H ARG 20 -0.391 1.238 -5.527
111 HA ARG 20 HA ARG 20 1.799 0.958 -3.644
112 HB2 ARG 20 1HB ARG 20 2.188 1.719 -6.527
113 HB3 ARG 20 2HB ARG 20 3.291 2.286 -5.280
114 HG2 ARG 20 1HG ARG 20 3.968 0.079 -4.748
115 HG3 ARG 20 2HG ARG 20 2.670 -0.621 -5.718
116 HD2 ARG 20 1HD ARG 20 4.997 0.988 -6.767
117 HD3 ARG 20 2HD ARG 20 4.825 -0.764 -6.865
118 HE ARG 20 HE ARG 20 3.543 1.201 -8.526
119 HH11 ARG 20 1HH1 ARG 20 3.386 -2.048 -7.284
120 HH12 ARG 20 2HH1 ARG 20 2.406 -2.638 -8.586
121 HH21 ARG 20 1HH2 ARG 20 2.253 0.436 -10.245
122 HH22 ARG 20 2HH2 ARG 20 1.763 -1.224 -10.270
123 H PHE 21 H PHE 21 2.627 3.031 -2.908
124 HA PHE 21 HA PHE 21 1.238 5.436 -3.674
125 HB2 PHE 21 1HB PHE 21 0.912 4.517 -0.819
126 HB3 PHE 21 2HB PHE 21 0.132 5.881 -1.614
127 HD1 PHE 21 HD2 PHE 21 0.361 2.172 -1.741
128 HD2 PHE 21 HD1 PHE 21 -1.987 5.638 -2.505
129 HE1 PHE 21 HE2 PHE 21 -1.563 0.742 -2.294
130 HE2 PHE 21 HE1 PHE 21 -3.916 4.213 -3.059
131 HZ PHE 21 HZ PHE 21 -3.704 1.762 -2.955
132 H VAL 22 H VAL 22 2.065 7.342 -2.551
133 HA VAL 22 HA VAL 22 4.898 7.121 -2.110
134 HB VAL 22 HB VAL 22 4.229 9.053 -3.294
135 HG11 VAL 22 1HG1 VAL 22 2.248 9.476 -1.070
136 HG12 VAL 22 2HG1 VAL 22 2.654 10.728 -2.245
137 HG13 VAL 22 3HG1 VAL 22 1.924 9.215 -2.783
138 HG21 VAL 22 3HG2 VAL 22 4.728 10.027 -0.486
139 HG22 VAL 22 1HG2 VAL 22 5.981 9.362 -1.534
140 HG23 VAL 22 2HG2 VAL 22 5.138 10.841 -1.996
141 H GLN 23 H GLN 23 2.047 7.758 -0.138
142 HA GLN 23 HA GLN 23 3.754 7.581 2.257
143 HB2 GLN 23 1HB GLN 23 1.478 9.398 1.608
144 HB3 GLN 23 2HB GLN 23 1.686 8.885 3.277
145 HG2 GLN 23 1HG GLN 23 4.040 9.961 1.817
146 HG3 GLN 23 2HG GLN 23 2.796 11.082 2.367
147 HE21 GLN 23 1HE2 GLN 23 5.042 8.590 3.418
148 HE22 GLN 23 2HE2 GLN 23 5.192 9.152 5.045
149 H VAL 24 H VAL 24 2.996 6.378 3.998
150 HA VAL 24 HA VAL 24 1.503 4.089 3.410
151 HB VAL 24 HB VAL 24 3.131 4.678 5.419
152 HG11 VAL 24 1HG1 VAL 24 0.408 4.995 6.676
153 HG12 VAL 24 2HG1 VAL 24 1.962 4.987 7.512
154 HG13 VAL 24 3HG1 VAL 24 1.559 6.304 6.410
155 HG21 VAL 24 3HG2 VAL 24 1.370 2.790 6.564
156 HG22 VAL 24 1HG2 VAL 24 1.300 2.575 4.814
157 HG23 VAL 24 2HG2 VAL 24 2.849 2.487 5.652
158 H ALA 25 H ALA 25 0.560 7.110 4.994
159 HA ALA 25 HA ALA 25 -1.946 6.501 5.917
160 HB1 ALA 25 3HB ALA 25 -0.600 8.738 5.917
161 HB2 ALA 25 1HB ALA 25 -1.556 9.085 4.476
162 HB3 ALA 25 2HB ALA 25 -2.361 8.762 6.013
163 H HIS 26 H HIS 26 -0.903 6.824 2.619
164 HA HIS 26 HA HIS 26 -3.593 6.960 1.560
165 HB2 HIS 26 1HB HIS 26 -1.063 6.439 0.001
166 HB3 HIS 26 2HB HIS 26 -2.582 7.103 -0.592
167 HD1 HIS 26 HD1 HIS 26 -0.492 8.868 -1.374
168 HD2 HIS 26 HD2 HIS 26 -1.935 9.008 2.520
169 HE1 HIS 26 HE1 HIS 26 0.159 11.134 -0.497
170 H LEU 27 H LEU 27 -0.919 4.610 1.503
171 HA LEU 27 HA LEU 27 -2.314 2.576 0.159
172 HB2 LEU 27 1HB LEU 27 0.005 2.348 0.224
173 HB3 LEU 27 2HB LEU 27 0.075 2.615 1.964
174 HG LEU 27 HG LEU 27 -0.885 0.395 2.343
175 HD11 LEU 27 1HD1 LEU 27 -0.635 -0.052 -0.622
176 HD12 LEU 27 2HD1 LEU 27 -2.155 0.353 0.175
177 HD13 LEU 27 3HD1 LEU 27 -1.314 -1.141 0.588
178 HD21 LEU 27 3HD2 LEU 27 1.046 -0.930 1.468
179 HD22 LEU 27 1HD2 LEU 27 1.498 0.537 2.337
180 HD23 LEU 27 2HD2 LEU 27 1.552 0.504 0.574
181 H ARG 28 H ARG 28 -1.654 2.951 3.644
182 HA ARG 28 HA ARG 28 -3.134 0.755 4.517
183 HB2 ARG 28 1HB ARG 28 -2.960 1.652 6.692
184 HB3 ARG 28 2HB ARG 28 -1.519 2.207 5.851
185 HG2 ARG 28 1HG ARG 28 -2.574 4.383 5.482
186 HG3 ARG 28 2HG ARG 28 -4.012 3.823 6.338
187 HD2 ARG 28 1HD ARG 28 -1.345 3.665 7.671
188 HD3 ARG 28 2HD ARG 28 -2.183 5.214 7.586
189 HE ARG 28 HE ARG 28 -2.904 2.929 9.193
190 HH11 ARG 28 1HH1 ARG 28 -3.981 5.909 7.751
191 HH12 ARG 28 2HH1 ARG 28 -5.289 6.128 8.866
192 HH21 ARG 28 1HH2 ARG 28 -4.623 3.206 10.667
193 HH22 ARG 28 2HH2 ARG 28 -5.653 4.590 10.525
194 H ALA 29 H ALA 29 -4.189 3.735 3.233
195 HA ALA 29 HA ALA 29 -6.847 3.526 4.421
196 HB1 ALA 29 3HB ALA 29 -5.343 5.633 2.985
197 HB2 ALA 29 1HB ALA 29 -7.097 5.626 2.798
198 HB3 ALA 29 2HB ALA 29 -6.381 5.746 4.406
199 H HIS 30 H HIS 30 -5.187 2.479 1.671
200 HA HIS 30 HA HIS 30 -7.619 2.325 0.044
201 HB2 HIS 30 1HB HIS 30 -5.984 3.058 -1.391
202 HB3 HIS 30 2HB HIS 30 -4.700 2.208 -0.534
203 HD1 HIS 30 HD1 HIS 30 -7.047 1.889 -3.363
204 HD2 HIS 30 HD2 HIS 30 -4.457 -0.559 -1.228
205 HE1 HIS 30 HE1 HIS 30 -6.769 -0.180 -4.764
206 H VAL 31 H VAL 31 -5.267 0.340 1.715
207 HA VAL 31 HA VAL 31 -5.993 -2.161 0.651
208 HB VAL 31 HB VAL 31 -5.166 -2.924 3.053
209 HG11 VAL 31 1HG1 VAL 31 -4.057 -3.098 0.755
210 HG12 VAL 31 2HG1 VAL 31 -3.164 -1.648 1.217
211 HG13 VAL 31 3HG1 VAL 31 -3.007 -3.124 2.171
212 HG21 VAL 31 3HG2 VAL 31 -5.237 -0.256 3.510
213 HG22 VAL 31 1HG2 VAL 31 -4.188 -1.383 4.370
214 HG23 VAL 31 2HG2 VAL 31 -3.560 -0.461 3.004
215 H LEU 32 H LEU 32 -7.595 -0.080 2.851
216 HA LEU 32 HA LEU 32 -9.089 -2.003 4.299
217 HB2 LEU 32 1HB LEU 32 -9.916 0.823 3.675
218 HB3 LEU 32 2HB LEU 32 -10.447 -0.176 5.026
219 HG LEU 32 HG LEU 32 -7.614 0.791 4.673
220 HD11 LEU 32 1HD1 LEU 32 -9.889 1.980 6.248
221 HD12 LEU 32 2HD1 LEU 32 -8.986 2.733 4.934
222 HD13 LEU 32 3HD1 LEU 32 -8.192 2.407 6.474
223 HD21 LEU 32 3HD2 LEU 32 -8.910 -0.090 7.222
224 HD22 LEU 32 1HD2 LEU 32 -7.199 -0.039 6.793
225 HD23 LEU 32 2HD2 LEU 32 -8.246 -1.278 6.099
226 H ILE 33 H ILE 33 -9.328 -0.782 1.107
227 HA ILE 33 HA ILE 33 -12.057 -0.997 0.587
228 HB ILE 33 HB ILE 33 -11.502 -1.191 -1.742
229 HG12 ILE 33 1HG1 ILE 33 -8.784 -2.018 -0.728
230 HG13 ILE 33 2HG1 ILE 33 -9.871 -2.920 -1.779
231 HG21 ILE 33 1HG2 ILE 33 -9.770 0.610 -0.100
232 HG22 ILE 33 2HG2 ILE 33 -9.641 0.611 -1.858
233 HG23 ILE 33 3HG2 ILE 33 -11.177 1.005 -1.086
234 HD11 ILE 33 3HD1 ILE 33 -8.239 -2.162 -3.225
235 HD12 ILE 33 1HD1 ILE 33 -9.524 -0.971 -3.427
236 HD13 ILE 33 2HD1 ILE 33 -8.119 -0.593 -2.430
237 H HIS 34 H HIS 34 -9.514 -3.463 0.430
238 HA HIS 34 HA HIS 34 -11.304 -5.530 -0.430
239 HB2 HIS 34 1HB HIS 34 -8.643 -6.055 0.859
240 HB3 HIS 34 2HB HIS 34 -9.446 -6.951 -0.427
241 HD1 HIS 34 HD1 HIS 34 -9.277 -5.966 -2.838
242 HD2 HIS 34 HD2 HIS 34 -7.067 -3.925 0.027
243 HE1 HIS 34 HE1 HIS 34 -7.707 -4.485 -4.129
244 H THR 35 H THR 35 -9.685 -4.744 2.636
245 HA THR 35 HA THR 35 -11.128 -6.823 4.039
246 HB THR 35 HB THR 35 -8.807 -6.306 4.672
247 HG1 THR 35 HG1 THR 35 -9.445 -6.970 6.568
248 HG21 THR 35 3HG2 THR 35 -9.976 -3.625 5.402
249 HG22 THR 35 1HG2 THR 35 -8.655 -3.961 4.284
250 HG23 THR 35 2HG2 THR 35 -8.428 -4.204 6.016
251 H GLY 36 H GLY 36 -12.714 -4.736 2.793
252 HA2 GLY 36 1HA GLY 36 -13.593 -2.789 4.610
253 HA3 GLY 36 2HA GLY 36 -14.535 -3.424 3.270
254 H SER 37 H SER 37 -15.275 -5.820 3.767
255 HA SER 37 HA SER 37 -16.718 -5.648 6.309
256 HB2 SER 37 1HB SER 37 -17.990 -5.974 4.175
257 HB3 SER 37 2HB SER 37 -17.202 -7.542 3.999
258 HG SER 37 HG SER 37 -19.288 -7.640 5.015
259 H GLY 38 H GLY 38 -14.041 -6.316 6.562
260 HA2 GLY 38 1HA GLY 38 -12.659 -7.868 7.537
261 HA3 GLY 38 2HA GLY 38 -14.132 -8.603 8.153
262 HA PRO 39 HA PRO 39 -11.942 -11.204 4.788
263 HB2 PRO 39 1HB PRO 39 -10.607 -12.951 6.380
264 HB3 PRO 39 2HB PRO 39 -9.890 -11.446 5.791
265 HG2 PRO 39 1HG PRO 39 -11.117 -12.044 8.456
266 HG3 PRO 39 2HG PRO 39 -9.632 -11.148 8.083
267 HD2 PRO 39 1HD PRO 39 -11.968 -9.914 8.678
268 HD3 PRO 39 2HD PRO 39 -10.778 -9.219 7.558
269 H SER 40 H SER 40 -13.322 -12.670 4.031
270 HA SER 40 HA SER 40 -15.550 -13.665 5.151
271 HB2 SER 40 1HB SER 40 -15.305 -15.669 3.635
272 HB3 SER 40 2HB SER 40 -15.092 -14.111 2.838
273 HG SER 40 HG SER 40 -12.979 -15.753 3.783
274 H SER 41 H SER 41 -12.329 -15.100 5.475
275 HA SER 41 HA SER 41 -13.349 -17.144 7.277
276 HB2 SER 41 1HB SER 41 -10.718 -16.624 5.939
277 HB3 SER 41 2HB SER 41 -10.777 -17.678 7.352
278 HG SER 41 HG SER 41 -12.377 -18.002 5.029
279 H GLY 42 H GLY 42 -13.657 -16.644 9.341
280 HA2 GLY 42 1HA GLY 42 -13.386 -15.701 11.418
281 HA3 GLY 42 2HA GLY 42 -11.664 -15.828 11.089
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -10.257 6.304 -17.932
2 HA2 GLY 1 1HA GLY 1 -10.645 4.208 -16.324
3 HA3 GLY 1 2HA GLY 1 -11.414 3.638 -17.798
4 H SER 2 H SER 2 -9.780 4.509 -19.766
5 HA SER 2 HA SER 2 -7.660 2.652 -19.672
6 HB2 SER 2 1HB SER 2 -8.264 4.924 -21.571
7 HB3 SER 2 2HB SER 2 -6.925 3.801 -21.809
8 HG SER 2 HG SER 2 -9.418 2.678 -21.326
9 H SER 3 H SER 3 -7.529 6.215 -19.826
10 HA SER 3 HA SER 3 -4.756 6.368 -19.301
11 HB2 SER 3 1HB SER 3 -7.019 8.300 -19.406
12 HB3 SER 3 2HB SER 3 -5.556 8.813 -18.565
13 HG SER 3 HG SER 3 -6.009 8.475 -21.241
14 H GLY 4 H GLY 4 -3.694 6.045 -17.467
15 HA2 GLY 4 1HA GLY 4 -4.475 7.083 -14.966
16 HA3 GLY 4 2HA GLY 4 -4.923 5.385 -15.039
17 H SER 5 H SER 5 -2.112 7.409 -15.895
18 HA SER 5 HA SER 5 -0.078 5.689 -15.915
19 HB2 SER 5 1HB SER 5 0.248 8.114 -16.067
20 HB3 SER 5 2HB SER 5 -0.071 8.277 -14.341
21 HG SER 5 HG SER 5 1.788 6.569 -14.339
22 H SER 6 H SER 6 0.694 4.115 -14.683
23 HA SER 6 HA SER 6 -0.414 3.389 -12.223
24 HB2 SER 6 1HB SER 6 0.666 1.693 -13.495
25 HB3 SER 6 2HB SER 6 2.172 2.608 -13.573
26 HG SER 6 HG SER 6 1.179 1.925 -11.054
27 H GLY 7 H GLY 7 2.892 4.618 -12.802
28 HA2 GLY 7 1HA GLY 7 3.069 6.653 -11.050
29 HA3 GLY 7 2HA GLY 7 3.181 5.256 -9.989
30 H GLY 8 H GLY 8 5.284 5.551 -9.345
31 HA2 GLY 8 1HA GLY 8 7.307 4.526 -11.049
32 HA3 GLY 8 2HA GLY 8 7.447 6.274 -10.933
33 H GLU 9 H GLU 9 7.160 7.016 -8.496
34 HA GLU 9 HA GLU 9 9.049 5.377 -6.943
35 HB2 GLU 9 1HB GLU 9 9.431 7.603 -5.708
36 HB3 GLU 9 2HB GLU 9 10.109 7.426 -7.320
37 HG2 GLU 9 1HG GLU 9 8.337 8.729 -8.273
38 HG3 GLU 9 2HG GLU 9 7.494 8.789 -6.726
39 H LYS 10 H LYS 10 7.971 4.189 -5.506
40 HA LYS 10 HA LYS 10 6.329 5.509 -3.531
41 HB2 LYS 10 1HB LYS 10 5.151 3.284 -5.205
42 HB3 LYS 10 2HB LYS 10 4.379 4.071 -3.834
43 HG2 LYS 10 1HG LYS 10 4.332 6.179 -5.061
44 HG3 LYS 10 2HG LYS 10 5.121 5.399 -6.434
45 HD2 LYS 10 1HD LYS 10 3.240 4.244 -7.034
46 HD3 LYS 10 2HD LYS 10 2.623 4.177 -5.381
47 HE2 LYS 10 1HE LYS 10 1.749 6.326 -5.489
48 HE3 LYS 10 2HE LYS 10 2.795 6.791 -6.830
49 HZ1 LYS 10 3HZ LYS 10 1.399 4.831 -7.955
50 HZ2 LYS 10 1HZ LYS 10 0.926 6.454 -8.007
51 HZ3 LYS 10 2HZ LYS 10 0.242 5.410 -6.866
52 HA PRO 11 HA PRO 11 8.713 2.358 -1.409
53 HB2 PRO 11 1HB PRO 11 8.185 3.299 1.082
54 HB3 PRO 11 2HB PRO 11 9.396 4.024 0.018
55 HG2 PRO 11 1HG PRO 11 6.583 4.895 0.557
56 HG3 PRO 11 2HG PRO 11 8.053 5.878 0.426
57 HD2 PRO 11 1HD PRO 11 6.272 5.644 -1.600
58 HD3 PRO 11 2HD PRO 11 8.012 5.859 -1.878
59 H TYR 12 H TYR 12 5.451 3.383 -0.439
60 HA TYR 12 HA TYR 12 4.921 0.855 0.860
61 HB2 TYR 12 1HB TYR 12 2.976 3.087 0.254
62 HB3 TYR 12 2HB TYR 12 2.774 1.791 1.428
63 HD1 TYR 12 HD1 TYR 12 4.027 1.816 3.537
64 HD2 TYR 12 HD2 TYR 12 4.331 5.016 0.750
65 HE1 TYR 12 HE1 TYR 12 5.031 3.231 5.280
66 HE2 TYR 12 HE2 TYR 12 5.337 6.440 2.485
67 HH TYR 12 HH TYR 12 5.371 6.571 4.965
68 H LYS 13 H LYS 13 3.880 -0.851 0.026
69 HA LYS 13 HA LYS 13 2.484 -0.545 -2.539
70 HB2 LYS 13 1HB LYS 13 4.601 -1.410 -3.195
71 HB3 LYS 13 2HB LYS 13 4.623 -2.560 -1.865
72 HG2 LYS 13 1HG LYS 13 2.467 -3.481 -3.042
73 HG3 LYS 13 2HG LYS 13 3.160 -2.676 -4.452
74 HD2 LYS 13 1HD LYS 13 4.944 -4.100 -4.559
75 HD3 LYS 13 2HD LYS 13 4.948 -4.399 -2.820
76 HE2 LYS 13 1HE LYS 13 3.028 -5.839 -3.015
77 HE3 LYS 13 2HE LYS 13 2.857 -5.444 -4.725
78 HZ1 LYS 13 3HZ LYS 13 5.196 -6.393 -4.943
79 HZ2 LYS 13 1HZ LYS 13 3.930 -7.490 -4.705
80 HZ3 LYS 13 2HZ LYS 13 4.942 -7.075 -3.415
81 H CYS 14 H CYS 14 0.615 -1.661 -2.708
82 HA CYS 14 HA CYS 14 -0.372 -2.985 -0.338
83 HB2 CYS 14 1HB CYS 14 -1.900 -1.520 -1.465
84 HB3 CYS 14 2HB CYS 14 -1.639 -2.336 -3.002
85 H GLU 15 H GLU 15 0.076 -5.050 0.029
86 HA GLU 15 HA GLU 15 0.868 -6.844 -2.060
87 HB2 GLU 15 1HB GLU 15 0.218 -7.449 0.829
88 HB3 GLU 15 2HB GLU 15 1.074 -8.505 -0.285
89 HG2 GLU 15 1HG GLU 15 2.801 -6.663 -0.481
90 HG3 GLU 15 2HG GLU 15 2.006 -5.913 0.902
91 H THR 16 H THR 16 -2.085 -6.100 -0.403
92 HA THR 16 HA THR 16 -3.546 -8.437 -0.796
93 HB THR 16 HB THR 16 -4.467 -5.561 -0.757
94 HG1 THR 16 HG1 THR 16 -3.624 -6.351 1.211
95 HG21 THR 16 3HG2 THR 16 -6.179 -6.719 -1.922
96 HG22 THR 16 1HG2 THR 16 -6.726 -6.592 -0.251
97 HG23 THR 16 2HG2 THR 16 -6.065 -8.114 -0.849
98 H CYS 17 H CYS 17 -2.945 -5.734 -2.986
99 HA CYS 17 HA CYS 17 -4.067 -7.357 -5.170
100 HB2 CYS 17 1HB CYS 17 -5.031 -5.424 -6.194
101 HB3 CYS 17 2HB CYS 17 -5.551 -5.429 -4.512
102 H GLY 18 H GLY 18 -1.795 -4.822 -4.219
103 HA2 GLY 18 1HA GLY 18 0.519 -5.204 -5.054
104 HA3 GLY 18 2HA GLY 18 -0.212 -5.468 -6.630
105 H ALA 19 H ALA 19 -1.672 -3.017 -4.760
106 HA ALA 19 HA ALA 19 -0.987 -1.005 -6.655
107 HB1 ALA 19 3HB ALA 19 -3.124 -1.158 -5.303
108 HB2 ALA 19 1HB ALA 19 -2.197 -0.514 -3.947
109 HB3 ALA 19 2HB ALA 19 -2.384 0.439 -5.420
110 H ARG 20 H ARG 20 -0.355 1.260 -5.559
111 HA ARG 20 HA ARG 20 1.802 0.967 -3.637
112 HB2 ARG 20 1HB ARG 20 2.236 1.767 -6.505
113 HB3 ARG 20 2HB ARG 20 3.329 2.291 -5.231
114 HG2 ARG 20 1HG ARG 20 4.002 0.085 -4.759
115 HG3 ARG 20 2HG ARG 20 2.673 -0.600 -5.696
116 HD2 ARG 20 1HD ARG 20 4.983 0.989 -6.808
117 HD3 ARG 20 2HD ARG 20 4.806 -0.764 -6.888
118 HE ARG 20 HE ARG 20 2.618 0.722 -8.043
119 HH11 ARG 20 1HH1 ARG 20 5.714 -0.772 -8.594
120 HH12 ARG 20 2HH1 ARG 20 5.468 -0.955 -10.299
121 HH21 ARG 20 1HH2 ARG 20 2.283 0.487 -10.287
122 HH22 ARG 20 2HH2 ARG 20 3.517 -0.238 -11.261
123 H PHE 21 H PHE 21 2.625 3.037 -2.880
124 HA PHE 21 HA PHE 21 1.234 5.443 -3.644
125 HB2 PHE 21 1HB PHE 21 0.907 4.508 -0.794
126 HB3 PHE 21 2HB PHE 21 0.128 5.877 -1.580
127 HD1 PHE 21 HD2 PHE 21 0.363 2.169 -1.748
128 HD2 PHE 21 HD1 PHE 21 -1.995 5.640 -2.461
129 HE1 PHE 21 HE2 PHE 21 -1.561 0.742 -2.313
130 HE2 PHE 21 HE1 PHE 21 -3.923 4.219 -3.026
131 HZ PHE 21 HZ PHE 21 -3.707 1.767 -2.953
132 H VAL 22 H VAL 22 2.063 7.348 -2.538
133 HA VAL 22 HA VAL 22 4.893 7.129 -2.080
134 HB VAL 22 HB VAL 22 4.294 9.063 -3.259
135 HG11 VAL 22 1HG1 VAL 22 2.624 10.712 -2.281
136 HG12 VAL 22 2HG1 VAL 22 1.968 9.208 -2.930
137 HG13 VAL 22 3HG1 VAL 22 2.146 9.415 -1.187
138 HG21 VAL 22 3HG2 VAL 22 5.929 9.434 -1.418
139 HG22 VAL 22 1HG2 VAL 22 5.048 10.886 -1.890
140 HG23 VAL 22 2HG2 VAL 22 4.603 10.025 -0.417
141 H GLN 23 H GLN 23 2.032 7.764 -0.125
142 HA GLN 23 HA GLN 23 3.728 7.599 2.279
143 HB2 GLN 23 1HB GLN 23 1.459 9.419 1.612
144 HB3 GLN 23 2HB GLN 23 1.657 8.910 3.284
145 HG2 GLN 23 1HG GLN 23 4.007 9.995 1.814
146 HG3 GLN 23 2HG GLN 23 2.769 11.104 2.404
147 HE21 GLN 23 1HE2 GLN 23 4.106 12.061 3.904
148 HE22 GLN 23 2HE2 GLN 23 4.642 11.251 5.332
149 H VAL 24 H VAL 24 2.997 6.362 3.991
150 HA VAL 24 HA VAL 24 1.491 4.089 3.413
151 HB VAL 24 HB VAL 24 3.114 4.672 5.423
152 HG11 VAL 24 1HG1 VAL 24 1.524 6.317 6.387
153 HG12 VAL 24 2HG1 VAL 24 0.402 4.992 6.701
154 HG13 VAL 24 3HG1 VAL 24 1.971 5.030 7.506
155 HG21 VAL 24 3HG2 VAL 24 1.351 2.805 6.585
156 HG22 VAL 24 1HG2 VAL 24 1.248 2.586 4.838
157 HG23 VAL 24 2HG2 VAL 24 2.810 2.482 5.648
158 H ALA 25 H ALA 25 0.542 7.118 4.976
159 HA ALA 25 HA ALA 25 -1.964 6.516 5.901
160 HB1 ALA 25 3HB ALA 25 -0.575 8.925 5.071
161 HB2 ALA 25 1HB ALA 25 -2.315 9.024 4.799
162 HB3 ALA 25 2HB ALA 25 -1.693 8.668 6.411
163 H HIS 26 H HIS 26 -0.924 6.840 2.596
164 HA HIS 26 HA HIS 26 -3.612 6.946 1.537
165 HB2 HIS 26 1HB HIS 26 -1.080 6.418 -0.016
166 HB3 HIS 26 2HB HIS 26 -2.601 7.073 -0.616
167 HD1 HIS 26 HD1 HIS 26 -0.537 8.846 -1.421
168 HD2 HIS 26 HD2 HIS 26 -1.937 8.997 2.488
169 HE1 HIS 26 HE1 HIS 26 0.114 11.118 -0.561
170 H LEU 27 H LEU 27 -0.930 4.604 1.489
171 HA LEU 27 HA LEU 27 -2.319 2.555 0.165
172 HB2 LEU 27 1HB LEU 27 -0.000 2.333 0.238
173 HB3 LEU 27 2HB LEU 27 0.065 2.615 1.976
174 HG LEU 27 HG LEU 27 -0.865 0.398 2.383
175 HD11 LEU 27 1HD1 LEU 27 -1.322 -1.157 0.644
176 HD12 LEU 27 2HD1 LEU 27 -0.699 -0.059 -0.587
177 HD13 LEU 27 3HD1 LEU 27 -2.196 0.327 0.262
178 HD21 LEU 27 3HD2 LEU 27 1.515 0.527 2.323
179 HD22 LEU 27 1HD2 LEU 27 1.530 0.494 0.559
180 HD23 LEU 27 2HD2 LEU 27 1.040 -0.939 1.463
181 H ARG 28 H ARG 28 -1.658 2.946 3.649
182 HA ARG 28 HA ARG 28 -3.141 0.758 4.534
183 HB2 ARG 28 1HB ARG 28 -2.959 1.660 6.701
184 HB3 ARG 28 2HB ARG 28 -1.527 2.232 5.856
185 HG2 ARG 28 1HG ARG 28 -2.541 4.401 5.529
186 HG3 ARG 28 2HG ARG 28 -4.040 3.837 6.270
187 HD2 ARG 28 1HD ARG 28 -1.510 3.585 7.815
188 HD3 ARG 28 2HD ARG 28 -2.232 5.185 7.648
189 HE ARG 28 HE ARG 28 -3.251 2.963 9.187
190 HH11 ARG 28 1HH1 ARG 28 -3.963 6.017 7.676
191 HH12 ARG 28 2HH1 ARG 28 -5.340 6.340 8.678
192 HH21 ARG 28 1HH2 ARG 28 -5.061 3.376 10.512
193 HH22 ARG 28 2HH2 ARG 28 -5.963 4.837 10.291
194 H ALA 29 H ALA 29 -4.190 3.757 3.265
195 HA ALA 29 HA ALA 29 -6.852 3.539 4.437
196 HB1 ALA 29 3HB ALA 29 -5.432 5.636 2.850
197 HB2 ALA 29 1HB ALA 29 -7.191 5.652 2.967
198 HB3 ALA 29 2HB ALA 29 -6.209 5.759 4.428
199 H HIS 30 H HIS 30 -5.188 2.490 1.692
200 HA HIS 30 HA HIS 30 -7.616 2.340 0.058
201 HB2 HIS 30 1HB HIS 30 -5.968 3.075 -1.365
202 HB3 HIS 30 2HB HIS 30 -4.694 2.207 -0.513
203 HD1 HIS 30 HD1 HIS 30 -7.019 1.941 -3.358
204 HD2 HIS 30 HD2 HIS 30 -4.499 -0.569 -1.211
205 HE1 HIS 30 HE1 HIS 30 -6.767 -0.125 -4.769
206 H VAL 31 H VAL 31 -5.262 0.348 1.723
207 HA VAL 31 HA VAL 31 -5.994 -2.150 0.662
208 HB VAL 31 HB VAL 31 -5.170 -2.916 3.064
209 HG11 VAL 31 1HG1 VAL 31 -3.255 -1.650 1.113
210 HG12 VAL 31 2HG1 VAL 31 -2.940 -2.994 2.212
211 HG13 VAL 31 3HG1 VAL 31 -4.042 -3.207 0.851
212 HG21 VAL 31 3HG2 VAL 31 -4.195 -1.374 4.384
213 HG22 VAL 31 1HG2 VAL 31 -3.557 -0.460 3.018
214 HG23 VAL 31 2HG2 VAL 31 -5.235 -0.244 3.518
215 H LEU 32 H LEU 32 -7.598 -0.066 2.855
216 HA LEU 32 HA LEU 32 -9.093 -1.983 4.308
217 HB2 LEU 32 1HB LEU 32 -9.909 0.843 3.669
218 HB3 LEU 32 2HB LEU 32 -10.464 -0.151 5.014
219 HG LEU 32 HG LEU 32 -7.635 0.843 4.684
220 HD11 LEU 32 1HD1 LEU 32 -9.252 1.927 6.860
221 HD12 LEU 32 2HD1 LEU 32 -9.808 2.401 5.256
222 HD13 LEU 32 3HD1 LEU 32 -8.149 2.739 5.749
223 HD21 LEU 32 3HD2 LEU 32 -8.690 0.046 7.309
224 HD22 LEU 32 1HD2 LEU 32 -7.115 -0.256 6.575
225 HD23 LEU 32 2HD2 LEU 32 -8.496 -1.266 6.146
226 H ILE 33 H ILE 33 -9.321 -0.792 1.108
227 HA ILE 33 HA ILE 33 -12.063 -1.036 0.603
228 HB ILE 33 HB ILE 33 -11.522 -1.156 -1.727
229 HG12 ILE 33 1HG1 ILE 33 -8.785 -1.979 -0.762
230 HG13 ILE 33 2HG1 ILE 33 -9.873 -2.867 -1.823
231 HG21 ILE 33 1HG2 ILE 33 -9.693 0.671 -1.830
232 HG22 ILE 33 2HG2 ILE 33 -11.213 1.026 -1.010
233 HG23 ILE 33 3HG2 ILE 33 -9.777 0.621 -0.069
234 HD11 ILE 33 3HD1 ILE 33 -8.279 -2.061 -3.277
235 HD12 ILE 33 1HD1 ILE 33 -9.562 -0.861 -3.419
236 HD13 ILE 33 2HD1 ILE 33 -8.140 -0.518 -2.434
237 H HIS 34 H HIS 34 -9.456 -3.430 0.360
238 HA HIS 34 HA HIS 34 -11.204 -5.527 -0.513
239 HB2 HIS 34 1HB HIS 34 -8.506 -5.994 0.723
240 HB3 HIS 34 2HB HIS 34 -9.309 -6.903 -0.554
241 HD1 HIS 34 HD1 HIS 34 -9.238 -5.874 -2.958
242 HD2 HIS 34 HD2 HIS 34 -6.992 -3.831 -0.123
243 HE1 HIS 34 HE1 HIS 34 -7.736 -4.342 -4.269
244 H THR 35 H THR 35 -9.318 -5.097 2.488
245 HA THR 35 HA THR 35 -10.703 -7.145 3.883
246 HB THR 35 HB THR 35 -8.421 -6.411 4.497
247 HG1 THR 35 HG1 THR 35 -9.741 -7.472 6.057
248 HG21 THR 35 3HG2 THR 35 -8.061 -4.362 5.720
249 HG22 THR 35 1HG2 THR 35 -9.779 -3.972 5.648
250 HG23 THR 35 2HG2 THR 35 -8.814 -3.978 4.172
251 H GLY 36 H GLY 36 -12.464 -7.084 5.175
252 HA2 GLY 36 1HA GLY 36 -13.677 -5.476 6.771
253 HA3 GLY 36 2HA GLY 36 -13.896 -4.513 5.317
254 H SER 37 H SER 37 -15.488 -5.035 3.884
255 HA SER 37 HA SER 37 -17.313 -7.169 4.743
256 HB2 SER 37 1HB SER 37 -18.244 -4.876 4.621
257 HB3 SER 37 2HB SER 37 -17.847 -4.822 2.904
258 HG SER 37 HG SER 37 -20.055 -5.697 3.943
259 H GLY 38 H GLY 38 -16.450 -5.640 1.631
260 HA2 GLY 38 1HA GLY 38 -15.454 -7.970 0.422
261 HA3 GLY 38 2HA GLY 38 -17.169 -7.854 0.056
262 HA PRO 39 HA PRO 39 -14.352 -4.843 -2.483
263 HB2 PRO 39 1HB PRO 39 -13.295 -6.458 -4.392
264 HB3 PRO 39 2HB PRO 39 -12.465 -6.094 -2.874
265 HG2 PRO 39 1HG PRO 39 -14.065 -8.510 -3.627
266 HG3 PRO 39 2HG PRO 39 -12.521 -8.416 -2.759
267 HD2 PRO 39 1HD PRO 39 -14.885 -8.783 -1.491
268 HD3 PRO 39 2HD PRO 39 -13.535 -7.895 -0.756
269 H SER 40 H SER 40 -15.925 -7.769 -3.779
270 HA SER 40 HA SER 40 -17.552 -8.062 -5.341
271 HB2 SER 40 1HB SER 40 -18.129 -5.345 -4.269
272 HB3 SER 40 2HB SER 40 -18.938 -5.813 -5.765
273 HG SER 40 HG SER 40 -19.353 -6.681 -3.201
274 H SER 41 H SER 41 -14.970 -7.509 -6.259
275 HA SER 41 HA SER 41 -15.526 -5.990 -8.724
276 HB2 SER 41 1HB SER 41 -13.822 -4.926 -7.241
277 HB3 SER 41 2HB SER 41 -12.826 -6.372 -7.407
278 HG SER 41 HG SER 41 -13.624 -4.583 -9.458
279 H GLY 42 H GLY 42 -13.699 -8.708 -7.345
280 HA2 GLY 42 1HA GLY 42 -13.198 -10.768 -8.241
281 HA3 GLY 42 2HA GLY 42 -14.328 -10.409 -9.538
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -1.234 -7.852 -23.204
2 HA2 GLY 1 1HA GLY 1 1.044 -6.890 -22.233
3 HA3 GLY 1 2HA GLY 1 1.290 -6.598 -23.948
4 H SER 2 H SER 2 0.784 -4.883 -21.434
5 HA SER 2 HA SER 2 -0.695 -2.847 -22.795
6 HB2 SER 2 1HB SER 2 -2.608 -2.692 -21.396
7 HB3 SER 2 2HB SER 2 -2.483 -4.397 -21.832
8 HG SER 2 HG SER 2 -1.660 -3.185 -19.402
9 H SER 3 H SER 3 0.374 -1.062 -22.308
10 HA SER 3 HA SER 3 2.368 -0.716 -20.505
11 HB2 SER 3 1HB SER 3 1.861 1.736 -20.584
12 HB3 SER 3 2HB SER 3 1.906 0.970 -22.172
13 HG SER 3 HG SER 3 -0.553 1.088 -20.864
14 H GLY 4 H GLY 4 2.509 0.484 -18.473
15 HA2 GLY 4 1HA GLY 4 0.107 0.667 -16.856
16 HA3 GLY 4 2HA GLY 4 1.242 -0.578 -16.357
17 H SER 5 H SER 5 2.698 -0.005 -14.893
18 HA SER 5 HA SER 5 2.901 2.709 -14.021
19 HB2 SER 5 1HB SER 5 4.096 0.101 -13.184
20 HB3 SER 5 2HB SER 5 4.859 1.591 -12.629
21 HG SER 5 HG SER 5 3.372 1.496 -11.141
22 H SER 6 H SER 6 4.381 4.216 -14.500
23 HA SER 6 HA SER 6 6.530 3.458 -16.360
24 HB2 SER 6 1HB SER 6 5.299 6.185 -15.892
25 HB3 SER 6 2HB SER 6 6.518 5.791 -17.103
26 HG SER 6 HG SER 6 3.861 4.804 -16.966
27 H GLY 7 H GLY 7 7.945 2.786 -14.671
28 HA2 GLY 7 1HA GLY 7 9.392 3.088 -12.872
29 HA3 GLY 7 2HA GLY 7 9.965 4.367 -13.932
30 H GLY 8 H GLY 8 7.381 3.768 -11.546
31 HA2 GLY 8 1HA GLY 8 7.459 6.600 -10.809
32 HA3 GLY 8 2HA GLY 8 6.243 5.432 -10.312
33 H GLU 9 H GLU 9 7.217 7.079 -8.423
34 HA GLU 9 HA GLU 9 9.113 5.406 -6.910
35 HB2 GLU 9 1HB GLU 9 9.433 7.622 -5.588
36 HB3 GLU 9 2HB GLU 9 10.228 7.425 -7.143
37 HG2 GLU 9 1HG GLU 9 8.468 8.716 -8.221
38 HG3 GLU 9 2HG GLU 9 7.643 8.895 -6.673
39 H LYS 10 H LYS 10 8.002 4.187 -5.527
40 HA LYS 10 HA LYS 10 6.295 5.471 -3.574
41 HB2 LYS 10 1HB LYS 10 5.213 3.232 -5.294
42 HB3 LYS 10 2HB LYS 10 4.385 3.993 -3.942
43 HG2 LYS 10 1HG LYS 10 4.486 6.150 -5.210
44 HG3 LYS 10 2HG LYS 10 5.087 5.230 -6.592
45 HD2 LYS 10 1HD LYS 10 3.074 4.211 -6.962
46 HD3 LYS 10 2HD LYS 10 2.603 4.282 -5.262
47 HE2 LYS 10 1HE LYS 10 1.860 6.465 -5.425
48 HE3 LYS 10 2HE LYS 10 2.862 6.809 -6.835
49 HZ1 LYS 10 3HZ LYS 10 0.911 4.753 -7.299
50 HZ2 LYS 10 1HZ LYS 10 1.266 6.132 -8.213
51 HZ3 LYS 10 2HZ LYS 10 0.216 6.240 -6.891
52 HA PRO 11 HA PRO 11 8.708 2.343 -1.434
53 HB2 PRO 11 1HB PRO 11 8.183 3.308 1.049
54 HB3 PRO 11 2HB PRO 11 9.395 4.020 -0.022
55 HG2 PRO 11 1HG PRO 11 6.585 4.904 0.510
56 HG3 PRO 11 2HG PRO 11 8.058 5.881 0.371
57 HD2 PRO 11 1HD PRO 11 6.276 5.635 -1.654
58 HD3 PRO 11 2HD PRO 11 8.017 5.842 -1.934
59 H TYR 12 H TYR 12 5.454 3.390 -0.457
60 HA TYR 12 HA TYR 12 4.915 0.875 0.860
61 HB2 TYR 12 1HB TYR 12 2.976 3.106 0.232
62 HB3 TYR 12 2HB TYR 12 2.770 1.822 1.418
63 HD1 TYR 12 HD1 TYR 12 4.031 1.862 3.524
64 HD2 TYR 12 HD2 TYR 12 4.327 5.040 0.711
65 HE1 TYR 12 HE1 TYR 12 5.038 3.291 5.254
66 HE2 TYR 12 HE2 TYR 12 5.336 6.478 2.432
67 HH TYR 12 HH TYR 12 6.208 5.225 5.593
68 H LYS 13 H LYS 13 3.874 -0.838 0.042
69 HA LYS 13 HA LYS 13 2.483 -0.555 -2.530
70 HB2 LYS 13 1HB LYS 13 4.598 -1.442 -3.164
71 HB3 LYS 13 2HB LYS 13 4.604 -2.577 -1.820
72 HG2 LYS 13 1HG LYS 13 2.448 -3.496 -2.996
73 HG3 LYS 13 2HG LYS 13 3.153 -2.713 -4.412
74 HD2 LYS 13 1HD LYS 13 4.927 -4.151 -4.493
75 HD3 LYS 13 2HD LYS 13 4.920 -4.430 -2.750
76 HE2 LYS 13 1HE LYS 13 2.642 -5.603 -3.231
77 HE3 LYS 13 2HE LYS 13 3.247 -5.691 -4.885
78 HZ1 LYS 13 3HZ LYS 13 4.922 -7.114 -4.293
79 HZ2 LYS 13 1HZ LYS 13 3.717 -7.605 -3.213
80 HZ3 LYS 13 2HZ LYS 13 4.967 -6.597 -2.683
81 H CYS 14 H CYS 14 0.616 -1.678 -2.704
82 HA CYS 14 HA CYS 14 -0.395 -2.957 -0.316
83 HB2 CYS 14 1HB CYS 14 -1.949 -1.540 -1.412
84 HB3 CYS 14 2HB CYS 14 -1.617 -2.263 -2.983
85 H GLU 15 H GLU 15 0.044 -5.017 0.083
86 HA GLU 15 HA GLU 15 0.831 -6.846 -1.980
87 HB2 GLU 15 1HB GLU 15 0.185 -7.399 0.921
88 HB3 GLU 15 2HB GLU 15 1.028 -8.481 -0.178
89 HG2 GLU 15 1HG GLU 15 2.746 -6.606 -0.417
90 HG3 GLU 15 2HG GLU 15 1.984 -5.903 1.008
91 H THR 16 H THR 16 -2.120 -6.052 -0.348
92 HA THR 16 HA THR 16 -3.589 -8.394 -0.697
93 HB THR 16 HB THR 16 -4.499 -5.514 -0.698
94 HG1 THR 16 HG1 THR 16 -4.720 -5.822 1.420
95 HG21 THR 16 3HG2 THR 16 -6.226 -6.661 -1.835
96 HG22 THR 16 1HG2 THR 16 -6.759 -6.548 -0.159
97 HG23 THR 16 2HG2 THR 16 -6.099 -8.064 -0.774
98 H CYS 17 H CYS 17 -2.931 -5.753 -2.935
99 HA CYS 17 HA CYS 17 -4.065 -7.399 -5.094
100 HB2 CYS 17 1HB CYS 17 -5.057 -5.499 -6.140
101 HB3 CYS 17 2HB CYS 17 -5.559 -5.464 -4.453
102 H GLY 18 H GLY 18 -1.817 -4.831 -4.174
103 HA2 GLY 18 1HA GLY 18 0.502 -5.218 -5.006
104 HA3 GLY 18 2HA GLY 18 -0.231 -5.487 -6.580
105 H ALA 19 H ALA 19 -1.692 -3.035 -4.710
106 HA ALA 19 HA ALA 19 -1.034 -1.025 -6.609
107 HB1 ALA 19 3HB ALA 19 -2.477 0.367 -5.443
108 HB2 ALA 19 1HB ALA 19 -3.124 -1.239 -5.104
109 HB3 ALA 19 2HB ALA 19 -2.140 -0.412 -3.896
110 H ARG 20 H ARG 20 -0.399 1.246 -5.493
111 HA ARG 20 HA ARG 20 1.794 0.959 -3.619
112 HB2 ARG 20 1HB ARG 20 2.190 1.695 -6.506
113 HB3 ARG 20 2HB ARG 20 3.287 2.285 -5.265
114 HG2 ARG 20 1HG ARG 20 3.824 -0.004 -4.631
115 HG3 ARG 20 2HG ARG 20 2.702 -0.609 -5.851
116 HD2 ARG 20 1HD ARG 20 4.700 -0.746 -6.979
117 HD3 ARG 20 2HD ARG 20 4.137 0.850 -7.473
118 HE ARG 20 HE ARG 20 5.634 1.377 -5.285
119 HH11 ARG 20 1HH1 ARG 20 6.225 -0.420 -8.208
120 HH12 ARG 20 2HH1 ARG 20 7.925 -0.088 -8.223
121 HH21 ARG 20 1HH2 ARG 20 7.871 1.821 -5.294
122 HH22 ARG 20 2HH2 ARG 20 8.861 1.187 -6.565
123 H PHE 21 H PHE 21 2.631 3.030 -2.888
124 HA PHE 21 HA PHE 21 1.259 5.441 -3.663
125 HB2 PHE 21 1HB PHE 21 0.911 4.533 -0.807
126 HB3 PHE 21 2HB PHE 21 0.141 5.896 -1.613
127 HD1 PHE 21 HD2 PHE 21 0.359 2.185 -1.726
128 HD2 PHE 21 HD1 PHE 21 -1.975 5.657 -2.512
129 HE1 PHE 21 HE2 PHE 21 -1.567 0.760 -2.284
130 HE2 PHE 21 HE1 PHE 21 -3.905 4.237 -3.070
131 HZ PHE 21 HZ PHE 21 -3.703 1.785 -2.958
132 H VAL 22 H VAL 22 2.079 7.343 -2.510
133 HA VAL 22 HA VAL 22 4.913 7.096 -2.046
134 HB VAL 22 HB VAL 22 4.320 9.020 -3.261
135 HG11 VAL 22 1HG1 VAL 22 1.990 8.987 -1.573
136 HG12 VAL 22 2HG1 VAL 22 2.697 10.603 -1.624
137 HG13 VAL 22 3HG1 VAL 22 2.240 9.791 -3.122
138 HG21 VAL 22 3HG2 VAL 22 5.164 10.829 -1.945
139 HG22 VAL 22 1HG2 VAL 22 4.687 10.030 -0.446
140 HG23 VAL 22 2HG2 VAL 22 5.989 9.358 -1.428
141 H GLN 23 H GLN 23 2.035 7.754 -0.130
142 HA GLN 23 HA GLN 23 3.703 7.619 2.294
143 HB2 GLN 23 1HB GLN 23 1.471 9.448 1.563
144 HB3 GLN 23 2HB GLN 23 1.585 8.930 3.240
145 HG2 GLN 23 1HG GLN 23 4.020 9.985 1.898
146 HG3 GLN 23 2HG GLN 23 2.765 11.114 2.409
147 HE21 GLN 23 1HE2 GLN 23 5.081 8.729 3.473
148 HE22 GLN 23 2HE2 GLN 23 5.114 9.214 5.131
149 H VAL 24 H VAL 24 3.005 6.340 3.966
150 HA VAL 24 HA VAL 24 1.487 4.084 3.403
151 HB VAL 24 HB VAL 24 3.100 4.672 5.418
152 HG11 VAL 24 1HG1 VAL 24 1.898 4.983 7.507
153 HG12 VAL 24 2HG1 VAL 24 1.572 6.322 6.405
154 HG13 VAL 24 3HG1 VAL 24 0.367 5.055 6.636
155 HG21 VAL 24 3HG2 VAL 24 2.794 2.488 5.682
156 HG22 VAL 24 1HG2 VAL 24 1.303 2.814 6.565
157 HG23 VAL 24 2HG2 VAL 24 1.259 2.579 4.818
158 H ALA 25 H ALA 25 0.529 7.092 5.012
159 HA ALA 25 HA ALA 25 -1.978 6.499 5.909
160 HB1 ALA 25 3HB ALA 25 -2.144 9.034 4.623
161 HB2 ALA 25 1HB ALA 25 -1.960 8.673 6.339
162 HB3 ALA 25 2HB ALA 25 -0.533 8.855 5.318
163 H HIS 26 H HIS 26 -0.944 6.879 2.596
164 HA HIS 26 HA HIS 26 -3.627 6.951 1.538
165 HB2 HIS 26 1HB HIS 26 -1.098 6.426 -0.019
166 HB3 HIS 26 2HB HIS 26 -2.618 7.090 -0.612
167 HD1 HIS 26 HD1 HIS 26 -0.544 8.856 -1.413
168 HD2 HIS 26 HD2 HIS 26 -1.940 8.999 2.498
169 HE1 HIS 26 HE1 HIS 26 0.118 11.121 -0.545
170 H LEU 27 H LEU 27 -0.938 4.618 1.484
171 HA LEU 27 HA LEU 27 -2.318 2.565 0.161
172 HB2 LEU 27 1HB LEU 27 -0.001 2.344 0.235
173 HB3 LEU 27 2HB LEU 27 0.064 2.635 1.972
174 HG LEU 27 HG LEU 27 -0.864 0.418 2.389
175 HD11 LEU 27 1HD1 LEU 27 -0.699 -0.035 -0.583
176 HD12 LEU 27 2HD1 LEU 27 -2.195 0.315 0.281
177 HD13 LEU 27 3HD1 LEU 27 -1.290 -1.153 0.646
178 HD21 LEU 27 3HD2 LEU 27 1.519 0.563 2.330
179 HD22 LEU 27 1HD2 LEU 27 1.534 0.502 0.567
180 HD23 LEU 27 2HD2 LEU 27 1.049 -0.918 1.494
181 H ARG 28 H ARG 28 -1.644 2.929 3.646
182 HA ARG 28 HA ARG 28 -3.132 0.746 4.524
183 HB2 ARG 28 1HB ARG 28 -2.955 1.644 6.696
184 HB3 ARG 28 2HB ARG 28 -1.518 2.207 5.853
185 HG2 ARG 28 1HG ARG 28 -2.529 4.382 5.518
186 HG3 ARG 28 2HG ARG 28 -4.020 3.826 6.280
187 HD2 ARG 28 1HD ARG 28 -1.393 3.707 7.721
188 HD3 ARG 28 2HD ARG 28 -2.352 5.187 7.691
189 HE ARG 28 HE ARG 28 -3.902 2.936 8.497
190 HH11 ARG 28 1HH1 ARG 28 -1.560 5.260 9.609
191 HH12 ARG 28 2HH1 ARG 28 -2.054 5.159 11.267
192 HH21 ARG 28 1HH2 ARG 28 -4.561 2.794 10.676
193 HH22 ARG 28 2HH2 ARG 28 -3.761 3.755 11.872
194 H ALA 29 H ALA 29 -4.181 3.757 3.278
195 HA ALA 29 HA ALA 29 -6.843 3.530 4.448
196 HB1 ALA 29 3HB ALA 29 -5.609 5.623 2.665
197 HB2 ALA 29 1HB ALA 29 -7.271 5.671 3.254
198 HB3 ALA 29 2HB ALA 29 -5.928 5.745 4.395
199 H HIS 30 H HIS 30 -5.181 2.498 1.695
200 HA HIS 30 HA HIS 30 -7.611 2.357 0.063
201 HB2 HIS 30 1HB HIS 30 -5.967 3.097 -1.361
202 HB3 HIS 30 2HB HIS 30 -4.690 2.232 -0.511
203 HD1 HIS 30 HD1 HIS 30 -7.025 1.959 -3.351
204 HD2 HIS 30 HD2 HIS 30 -4.473 -0.536 -1.223
205 HE1 HIS 30 HE1 HIS 30 -6.761 -0.101 -4.769
206 H VAL 31 H VAL 31 -5.255 0.355 1.714
207 HA VAL 31 HA VAL 31 -5.990 -2.137 0.639
208 HB VAL 31 HB VAL 31 -5.162 -2.915 3.037
209 HG11 VAL 31 1HG1 VAL 31 -3.152 -1.638 1.212
210 HG12 VAL 31 2HG1 VAL 31 -3.012 -3.129 2.145
211 HG13 VAL 31 3HG1 VAL 31 -4.060 -3.069 0.727
212 HG21 VAL 31 3HG2 VAL 31 -4.171 -1.382 4.358
213 HG22 VAL 31 1HG2 VAL 31 -3.552 -0.454 2.991
214 HG23 VAL 31 2HG2 VAL 31 -5.226 -0.251 3.510
215 H LEU 32 H LEU 32 -7.579 -0.068 2.864
216 HA LEU 32 HA LEU 32 -9.076 -1.995 4.300
217 HB2 LEU 32 1HB LEU 32 -9.894 0.837 3.689
218 HB3 LEU 32 2HB LEU 32 -10.436 -0.168 5.031
219 HG LEU 32 HG LEU 32 -7.610 0.828 4.687
220 HD11 LEU 32 1HD1 LEU 32 -9.428 2.585 5.069
221 HD12 LEU 32 2HD1 LEU 32 -8.064 2.560 6.186
222 HD13 LEU 32 3HD1 LEU 32 -9.610 1.863 6.668
223 HD21 LEU 32 3HD2 LEU 32 -8.524 -1.273 6.175
224 HD22 LEU 32 1HD2 LEU 32 -8.595 0.058 7.330
225 HD23 LEU 32 2HD2 LEU 32 -7.074 -0.331 6.526
226 H ILE 33 H ILE 33 -9.298 -0.803 1.106
227 HA ILE 33 HA ILE 33 -12.043 -1.019 0.603
228 HB ILE 33 HB ILE 33 -11.503 -1.148 -1.729
229 HG12 ILE 33 1HG1 ILE 33 -8.769 -1.980 -0.761
230 HG13 ILE 33 2HG1 ILE 33 -9.862 -2.868 -1.817
231 HG21 ILE 33 1HG2 ILE 33 -11.183 1.034 -1.041
232 HG22 ILE 33 2HG2 ILE 33 -9.778 0.628 -0.057
233 HG23 ILE 33 3HG2 ILE 33 -9.642 0.664 -1.815
234 HD11 ILE 33 3HD1 ILE 33 -8.289 -2.079 -3.291
235 HD12 ILE 33 1HD1 ILE 33 -9.542 -0.844 -3.407
236 HD13 ILE 33 2HD1 ILE 33 -8.099 -0.549 -2.437
237 H HIS 34 H HIS 34 -9.458 -3.437 0.360
238 HA HIS 34 HA HIS 34 -11.231 -5.517 -0.509
239 HB2 HIS 34 1HB HIS 34 -8.533 -6.018 0.712
240 HB3 HIS 34 2HB HIS 34 -9.349 -6.906 -0.572
241 HD1 HIS 34 HD1 HIS 34 -9.240 -5.886 -2.968
242 HD2 HIS 34 HD2 HIS 34 -7.027 -3.833 -0.115
243 HE1 HIS 34 HE1 HIS 34 -7.730 -4.350 -4.266
244 H THR 35 H THR 35 -9.438 -4.924 2.516
245 HA THR 35 HA THR 35 -10.776 -7.026 3.918
246 HB THR 35 HB THR 35 -8.519 -6.325 4.566
247 HG1 THR 35 HG1 THR 35 -9.016 -6.890 6.543
248 HG21 THR 35 3HG2 THR 35 -8.673 -3.945 4.108
249 HG22 THR 35 1HG2 THR 35 -8.198 -4.201 5.787
250 HG23 THR 35 2HG2 THR 35 -9.858 -3.749 5.399
251 H GLY 36 H GLY 36 -12.454 -6.930 5.357
252 HA2 GLY 36 1HA GLY 36 -13.873 -5.627 6.848
253 HA3 GLY 36 2HA GLY 36 -13.760 -4.304 5.698
254 H SER 37 H SER 37 -14.435 -5.207 3.349
255 HA SER 37 HA SER 37 -17.176 -6.158 3.734
256 HB2 SER 37 1HB SER 37 -17.695 -5.177 1.628
257 HB3 SER 37 2HB SER 37 -16.652 -4.019 2.454
258 HG SER 37 HG SER 37 -14.954 -5.409 1.205
259 H GLY 38 H GLY 38 -17.966 -7.388 1.615
260 HA2 GLY 38 1HA GLY 38 -17.359 -9.048 -0.038
261 HA3 GLY 38 2HA GLY 38 -15.971 -9.457 0.959
262 HA PRO 39 HA PRO 39 -18.939 -12.776 1.866
263 HB2 PRO 39 1HB PRO 39 -17.028 -14.578 2.551
264 HB3 PRO 39 2HB PRO 39 -17.490 -14.259 0.876
265 HG2 PRO 39 1HG PRO 39 -15.153 -13.214 2.428
266 HG3 PRO 39 2HG PRO 39 -15.211 -13.813 0.760
267 HD2 PRO 39 1HD PRO 39 -15.201 -11.173 1.361
268 HD3 PRO 39 2HD PRO 39 -16.046 -11.826 -0.057
269 H SER 40 H SER 40 -19.684 -11.573 3.711
270 HA SER 40 HA SER 40 -18.611 -12.627 6.210
271 HB2 SER 40 1HB SER 40 -18.970 -9.670 5.671
272 HB3 SER 40 2HB SER 40 -18.691 -10.365 7.267
273 HG SER 40 HG SER 40 -16.735 -9.690 6.377
274 H SER 41 H SER 41 -20.114 -12.749 7.879
275 HA SER 41 HA SER 41 -22.898 -12.297 7.041
276 HB2 SER 41 1HB SER 41 -22.273 -14.652 7.514
277 HB3 SER 41 2HB SER 41 -21.849 -14.188 9.161
278 HG SER 41 HG SER 41 -24.399 -14.142 7.933
279 H GLY 42 H GLY 42 -23.749 -10.511 7.875
280 HA2 GLY 42 1HA GLY 42 -24.597 -9.787 10.179
281 HA3 GLY 42 2HA GLY 42 -22.887 -9.665 10.564
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -0.526 -6.762 -12.807
2 HA2 GLY 1 1HA GLY 1 0.697 -8.537 -10.833
3 HA3 GLY 1 2HA GLY 1 0.902 -8.964 -12.525
4 H SER 2 H SER 2 1.578 -6.897 -13.877
5 HA SER 2 HA SER 2 3.756 -5.571 -12.399
6 HB2 SER 2 1HB SER 2 5.116 -5.683 -14.452
7 HB3 SER 2 2HB SER 2 4.663 -7.293 -13.893
8 HG SER 2 HG SER 2 3.088 -5.938 -15.795
9 H SER 3 H SER 3 2.870 -3.592 -12.088
10 HA SER 3 HA SER 3 2.033 -2.119 -14.501
11 HB2 SER 3 1HB SER 3 0.223 -2.675 -12.752
12 HB3 SER 3 2HB SER 3 1.025 -1.479 -11.734
13 HG SER 3 HG SER 3 -0.440 -1.134 -14.079
14 H GLY 4 H GLY 4 4.266 -1.477 -14.722
15 HA2 GLY 4 1HA GLY 4 5.403 0.660 -14.601
16 HA3 GLY 4 2HA GLY 4 4.929 0.755 -12.911
17 H SER 5 H SER 5 7.577 1.065 -13.942
18 HA SER 5 HA SER 5 8.970 -0.655 -12.162
19 HB2 SER 5 1HB SER 5 8.987 -1.309 -15.085
20 HB3 SER 5 2HB SER 5 10.451 -1.569 -14.137
21 HG SER 5 HG SER 5 8.644 -2.612 -12.668
22 H SER 6 H SER 6 10.649 0.466 -11.434
23 HA SER 6 HA SER 6 11.980 2.338 -11.192
24 HB2 SER 6 1HB SER 6 13.882 2.273 -12.756
25 HB3 SER 6 2HB SER 6 13.449 0.654 -12.209
26 HG SER 6 HG SER 6 12.257 0.444 -14.193
27 H GLY 7 H GLY 7 9.572 3.221 -12.134
28 HA2 GLY 7 1HA GLY 7 10.389 5.287 -14.082
29 HA3 GLY 7 2HA GLY 7 8.805 4.529 -14.136
30 H GLY 8 H GLY 8 8.079 4.517 -11.487
31 HA2 GLY 8 1HA GLY 8 7.743 7.399 -11.015
32 HA3 GLY 8 2HA GLY 8 6.675 6.135 -10.425
33 H GLU 9 H GLU 9 6.717 6.453 -8.271
34 HA GLU 9 HA GLU 9 9.011 5.629 -6.809
35 HB2 GLU 9 1HB GLU 9 9.701 7.617 -5.777
36 HB3 GLU 9 2HB GLU 9 9.524 8.054 -7.470
37 HG2 GLU 9 1HG GLU 9 8.472 9.819 -6.512
38 HG3 GLU 9 2HG GLU 9 7.100 8.727 -6.690
39 H LYS 10 H LYS 10 8.026 4.395 -5.359
40 HA LYS 10 HA LYS 10 6.198 5.527 -3.465
41 HB2 LYS 10 1HB LYS 10 5.161 3.329 -5.263
42 HB3 LYS 10 2HB LYS 10 4.305 4.068 -3.915
43 HG2 LYS 10 1HG LYS 10 4.323 6.218 -5.115
44 HG3 LYS 10 2HG LYS 10 5.112 5.425 -6.480
45 HD2 LYS 10 1HD LYS 10 3.220 4.298 -7.095
46 HD3 LYS 10 2HD LYS 10 2.593 4.233 -5.446
47 HE2 LYS 10 1HE LYS 10 1.668 6.331 -5.572
48 HE3 LYS 10 2HE LYS 10 2.815 6.881 -6.793
49 HZ1 LYS 10 3HZ LYS 10 0.275 6.182 -7.298
50 HZ2 LYS 10 1HZ LYS 10 1.081 4.736 -7.651
51 HZ3 LYS 10 2HZ LYS 10 1.515 6.163 -8.449
52 HA PRO 11 HA PRO 11 8.664 2.331 -1.469
53 HB2 PRO 11 1HB PRO 11 8.212 3.243 1.048
54 HB3 PRO 11 2HB PRO 11 9.408 3.965 -0.035
55 HG2 PRO 11 1HG PRO 11 6.624 4.872 0.586
56 HG3 PRO 11 2HG PRO 11 8.106 5.833 0.434
57 HD2 PRO 11 1HD PRO 11 6.273 5.659 -1.552
58 HD3 PRO 11 2HD PRO 11 8.010 5.850 -1.869
59 H TYR 12 H TYR 12 5.436 3.389 -0.430
60 HA TYR 12 HA TYR 12 4.895 0.867 0.872
61 HB2 TYR 12 1HB TYR 12 2.959 3.110 0.276
62 HB3 TYR 12 2HB TYR 12 2.763 1.823 1.460
63 HD1 TYR 12 HD1 TYR 12 4.033 1.857 3.557
64 HD2 TYR 12 HD2 TYR 12 4.337 5.032 0.741
65 HE1 TYR 12 HE1 TYR 12 5.064 3.278 5.279
66 HE2 TYR 12 HE2 TYR 12 5.371 6.461 2.455
67 HH TYR 12 HH TYR 12 6.749 5.985 4.662
68 H LYS 13 H LYS 13 3.891 -0.846 0.026
69 HA LYS 13 HA LYS 13 2.460 -0.533 -2.522
70 HB2 LYS 13 1HB LYS 13 4.568 -1.420 -3.179
71 HB3 LYS 13 2HB LYS 13 4.581 -2.567 -1.845
72 HG2 LYS 13 1HG LYS 13 2.419 -3.476 -3.011
73 HG3 LYS 13 2HG LYS 13 3.102 -2.672 -4.426
74 HD2 LYS 13 1HD LYS 13 4.879 -4.104 -4.551
75 HD3 LYS 13 2HD LYS 13 4.897 -4.406 -2.812
76 HE2 LYS 13 1HE LYS 13 2.788 -5.712 -3.096
77 HE3 LYS 13 2HE LYS 13 2.964 -5.521 -4.840
78 HZ1 LYS 13 3HZ LYS 13 5.230 -6.569 -4.531
79 HZ2 LYS 13 1HZ LYS 13 3.895 -7.591 -4.340
80 HZ3 LYS 13 2HZ LYS 13 4.717 -7.010 -2.981
81 H CYS 14 H CYS 14 0.615 -1.710 -2.730
82 HA CYS 14 HA CYS 14 -0.389 -2.990 -0.332
83 HB2 CYS 14 1HB CYS 14 -1.928 -1.536 -1.437
84 HB3 CYS 14 2HB CYS 14 -1.646 -2.314 -2.991
85 H GLU 15 H GLU 15 0.044 -5.056 0.042
86 HA GLU 15 HA GLU 15 0.826 -6.861 -2.042
87 HB2 GLU 15 1HB GLU 15 0.176 -7.453 0.851
88 HB3 GLU 15 2HB GLU 15 1.025 -8.517 -0.261
89 HG2 GLU 15 1HG GLU 15 2.752 -6.662 -0.467
90 HG3 GLU 15 2HG GLU 15 1.971 -5.937 0.937
91 H THR 16 H THR 16 -2.122 -6.092 -0.389
92 HA THR 16 HA THR 16 -3.596 -8.422 -0.768
93 HB THR 16 HB THR 16 -4.503 -5.542 -0.744
94 HG1 THR 16 HG1 THR 16 -3.795 -6.124 1.258
95 HG21 THR 16 3HG2 THR 16 -6.102 -8.089 -0.849
96 HG22 THR 16 1HG2 THR 16 -6.235 -6.671 -1.888
97 HG23 THR 16 2HG2 THR 16 -6.763 -6.586 -0.207
98 H CYS 17 H CYS 17 -2.956 -5.747 -2.976
99 HA CYS 17 HA CYS 17 -4.086 -7.374 -5.153
100 HB2 CYS 17 1HB CYS 17 -5.067 -5.457 -6.181
101 HB3 CYS 17 2HB CYS 17 -5.576 -5.446 -4.496
102 H GLY 18 H GLY 18 -1.832 -4.819 -4.210
103 HA2 GLY 18 1HA GLY 18 0.487 -5.200 -5.045
104 HA3 GLY 18 2HA GLY 18 -0.245 -5.460 -6.621
105 H ALA 19 H ALA 19 -1.705 -3.018 -4.737
106 HA ALA 19 HA ALA 19 -1.047 -0.998 -6.626
107 HB1 ALA 19 3HB ALA 19 -2.022 0.083 -4.143
108 HB2 ALA 19 1HB ALA 19 -2.799 0.026 -5.726
109 HB3 ALA 19 2HB ALA 19 -2.957 -1.336 -4.616
110 H ARG 20 H ARG 20 -0.410 1.267 -5.499
111 HA ARG 20 HA ARG 20 1.782 0.969 -3.625
112 HB2 ARG 20 1HB ARG 20 2.179 1.725 -6.508
113 HB3 ARG 20 2HB ARG 20 3.279 2.301 -5.262
114 HG2 ARG 20 1HG ARG 20 3.897 0.059 -4.684
115 HG3 ARG 20 2HG ARG 20 2.668 -0.602 -5.764
116 HD2 ARG 20 1HD ARG 20 5.115 0.974 -6.551
117 HD3 ARG 20 2HD ARG 20 4.833 -0.746 -6.820
118 HE ARG 20 HE ARG 20 2.765 0.369 -8.113
119 HH11 ARG 20 1HH1 ARG 20 6.180 1.047 -8.161
120 HH12 ARG 20 2HH1 ARG 20 6.180 1.597 -9.804
121 HH21 ARG 20 1HH2 ARG 20 2.752 1.092 -10.276
122 HH22 ARG 20 2HH2 ARG 20 4.230 1.623 -11.006
123 H PHE 21 H PHE 21 2.620 3.035 -2.883
124 HA PHE 21 HA PHE 21 1.250 5.451 -3.645
125 HB2 PHE 21 1HB PHE 21 0.901 4.529 -0.795
126 HB3 PHE 21 2HB PHE 21 0.130 5.895 -1.594
127 HD1 PHE 21 HD2 PHE 21 0.349 2.185 -1.724
128 HD2 PHE 21 HD1 PHE 21 -1.985 5.660 -2.495
129 HE1 PHE 21 HE2 PHE 21 -1.577 0.762 -2.290
130 HE2 PHE 21 HE1 PHE 21 -3.915 4.242 -3.061
131 HZ PHE 21 HZ PHE 21 -3.712 1.790 -2.960
132 H VAL 22 H VAL 22 2.092 7.348 -2.532
133 HA VAL 22 HA VAL 22 4.917 7.101 -2.062
134 HB VAL 22 HB VAL 22 4.343 9.042 -3.240
135 HG11 VAL 22 1HG1 VAL 22 2.188 9.412 -1.179
136 HG12 VAL 22 2HG1 VAL 22 2.682 10.706 -2.273
137 HG13 VAL 22 3HG1 VAL 22 2.017 9.206 -2.922
138 HG21 VAL 22 3HG2 VAL 22 5.168 10.827 -1.909
139 HG22 VAL 22 1HG2 VAL 22 4.608 10.063 -0.421
140 HG23 VAL 22 2HG2 VAL 22 5.949 9.357 -1.324
141 H GLN 23 H GLN 23 2.053 7.764 -0.119
142 HA GLN 23 HA GLN 23 3.738 7.592 2.293
143 HB2 GLN 23 1HB GLN 23 1.464 9.403 1.618
144 HB3 GLN 23 2HB GLN 23 1.662 8.898 3.290
145 HG2 GLN 23 1HG GLN 23 3.971 10.036 1.775
146 HG3 GLN 23 2HG GLN 23 2.751 11.096 2.481
147 HE21 GLN 23 1HE2 GLN 23 4.202 11.993 3.929
148 HE22 GLN 23 2HE2 GLN 23 4.801 11.126 5.298
149 H VAL 24 H VAL 24 2.994 6.362 4.008
150 HA VAL 24 HA VAL 24 1.493 4.084 3.418
151 HB VAL 24 HB VAL 24 3.118 4.661 5.429
152 HG11 VAL 24 1HG1 VAL 24 1.956 4.987 7.519
153 HG12 VAL 24 2HG1 VAL 24 1.548 6.301 6.413
154 HG13 VAL 24 3HG1 VAL 24 0.399 4.992 6.692
155 HG21 VAL 24 3HG2 VAL 24 0.957 2.792 6.213
156 HG22 VAL 24 1HG2 VAL 24 1.770 2.486 4.679
157 HG23 VAL 24 2HG2 VAL 24 2.704 2.554 6.174
158 H ALA 25 H ALA 25 0.545 7.122 4.953
159 HA ALA 25 HA ALA 25 -1.962 6.514 5.890
160 HB1 ALA 25 3HB ALA 25 -1.952 8.687 6.330
161 HB2 ALA 25 1HB ALA 25 -0.506 8.865 5.335
162 HB3 ALA 25 2HB ALA 25 -2.104 9.062 4.613
163 H HIS 26 H HIS 26 -0.914 6.829 2.590
164 HA HIS 26 HA HIS 26 -3.603 6.946 1.528
165 HB2 HIS 26 1HB HIS 26 -1.067 6.436 -0.024
166 HB3 HIS 26 2HB HIS 26 -2.590 7.085 -0.624
167 HD1 HIS 26 HD1 HIS 26 -0.598 8.899 -1.441
168 HD2 HIS 26 HD2 HIS 26 -1.878 8.973 2.511
169 HE1 HIS 26 HE1 HIS 26 0.055 11.164 -0.565
170 H LEU 27 H LEU 27 -0.922 4.607 1.510
171 HA LEU 27 HA LEU 27 -2.299 2.561 0.160
172 HB2 LEU 27 1HB LEU 27 0.023 2.352 0.241
173 HB3 LEU 27 2HB LEU 27 0.077 2.614 1.983
174 HG LEU 27 HG LEU 27 -0.823 0.393 2.371
175 HD11 LEU 27 1HD1 LEU 27 -0.711 -0.058 -0.601
176 HD12 LEU 27 2HD1 LEU 27 -2.191 0.364 0.259
177 HD13 LEU 27 3HD1 LEU 27 -1.347 -1.137 0.642
178 HD21 LEU 27 3HD2 LEU 27 1.540 0.473 2.285
179 HD22 LEU 27 1HD2 LEU 27 1.546 0.549 0.523
180 HD23 LEU 27 2HD2 LEU 27 1.058 -0.937 1.339
181 H ARG 28 H ARG 28 -1.647 2.941 3.647
182 HA ARG 28 HA ARG 28 -3.131 0.747 4.517
183 HB2 ARG 28 1HB ARG 28 -2.943 1.630 6.689
184 HB3 ARG 28 2HB ARG 28 -1.515 2.215 5.846
185 HG2 ARG 28 1HG ARG 28 -2.572 4.380 5.520
186 HG3 ARG 28 2HG ARG 28 -4.033 3.797 6.319
187 HD2 ARG 28 1HD ARG 28 -1.372 3.709 7.696
188 HD3 ARG 28 2HD ARG 28 -2.340 5.182 7.685
189 HE ARG 28 HE ARG 28 -2.774 2.881 9.284
190 HH11 ARG 28 1HH1 ARG 28 -4.450 5.381 7.534
191 HH12 ARG 28 2HH1 ARG 28 -5.861 5.318 8.536
192 HH21 ARG 28 1HH2 ARG 28 -4.627 2.789 10.611
193 HH22 ARG 28 2HH2 ARG 28 -5.961 3.844 10.287
194 H ALA 29 H ALA 29 -4.177 3.743 3.250
195 HA ALA 29 HA ALA 29 -6.838 3.533 4.428
196 HB1 ALA 29 3HB ALA 29 -5.963 5.746 4.378
197 HB2 ALA 29 1HB ALA 29 -5.564 5.615 2.665
198 HB3 ALA 29 2HB ALA 29 -7.251 5.664 3.177
199 H HIS 30 H HIS 30 -5.179 2.484 1.679
200 HA HIS 30 HA HIS 30 -7.610 2.338 0.050
201 HB2 HIS 30 1HB HIS 30 -5.963 3.073 -1.376
202 HB3 HIS 30 2HB HIS 30 -4.689 2.201 -0.527
203 HD1 HIS 30 HD1 HIS 30 -7.027 1.939 -3.364
204 HD2 HIS 30 HD2 HIS 30 -4.492 -0.570 -1.233
205 HE1 HIS 30 HE1 HIS 30 -6.778 -0.125 -4.779
206 H VAL 31 H VAL 31 -5.256 0.341 1.709
207 HA VAL 31 HA VAL 31 -5.995 -2.155 0.646
208 HB VAL 31 HB VAL 31 -5.164 -2.925 3.044
209 HG11 VAL 31 1HG1 VAL 31 -2.969 -3.064 2.173
210 HG12 VAL 31 2HG1 VAL 31 -4.053 -3.160 0.784
211 HG13 VAL 31 3HG1 VAL 31 -3.209 -1.653 1.143
212 HG21 VAL 31 3HG2 VAL 31 -3.548 -0.470 2.997
213 HG22 VAL 31 1HG2 VAL 31 -5.224 -0.256 3.503
214 HG23 VAL 31 2HG2 VAL 31 -4.180 -1.387 4.363
215 H LEU 32 H LEU 32 -7.585 -0.070 2.850
216 HA LEU 32 HA LEU 32 -9.080 -1.987 4.305
217 HB2 LEU 32 1HB LEU 32 -9.875 0.848 3.674
218 HB3 LEU 32 2HB LEU 32 -10.453 -0.149 5.008
219 HG LEU 32 HG LEU 32 -7.624 0.856 4.702
220 HD11 LEU 32 1HD1 LEU 32 -8.299 2.777 5.569
221 HD12 LEU 32 2HD1 LEU 32 -8.942 1.921 6.970
222 HD13 LEU 32 3HD1 LEU 32 -9.969 2.208 5.565
223 HD21 LEU 32 3HD2 LEU 32 -8.612 -0.020 7.315
224 HD22 LEU 32 1HD2 LEU 32 -7.072 -0.338 6.516
225 HD23 LEU 32 2HD2 LEU 32 -8.490 -1.307 6.115
226 H ILE 33 H ILE 33 -9.312 -0.801 1.106
227 HA ILE 33 HA ILE 33 -12.057 -1.031 0.611
228 HB ILE 33 HB ILE 33 -11.524 -1.154 -1.721
229 HG12 ILE 33 1HG1 ILE 33 -8.787 -1.986 -0.764
230 HG13 ILE 33 2HG1 ILE 33 -9.882 -2.871 -1.821
231 HG21 ILE 33 1HG2 ILE 33 -9.685 0.665 -1.827
232 HG22 ILE 33 2HG2 ILE 33 -11.206 1.027 -1.012
233 HG23 ILE 33 3HG2 ILE 33 -9.774 0.619 -0.066
234 HD11 ILE 33 3HD1 ILE 33 -9.572 -0.880 -3.426
235 HD12 ILE 33 1HD1 ILE 33 -8.156 -0.515 -2.440
236 HD13 ILE 33 2HD1 ILE 33 -8.276 -2.066 -3.271
237 H HIS 34 H HIS 34 -9.461 -3.436 0.362
238 HA HIS 34 HA HIS 34 -11.225 -5.525 -0.501
239 HB2 HIS 34 1HB HIS 34 -8.522 -6.012 0.713
240 HB3 HIS 34 2HB HIS 34 -9.337 -6.905 -0.568
241 HD1 HIS 34 HD1 HIS 34 -9.243 -5.882 -2.965
242 HD2 HIS 34 HD2 HIS 34 -7.024 -3.824 -0.118
243 HE1 HIS 34 HE1 HIS 34 -7.742 -4.340 -4.268
244 H THR 35 H THR 35 -9.413 -4.944 2.515
245 HA THR 35 HA THR 35 -10.788 -7.034 3.914
246 HB THR 35 HB THR 35 -8.488 -6.407 4.517
247 HG1 THR 35 HG1 THR 35 -9.003 -6.103 6.865
248 HG21 THR 35 3HG2 THR 35 -8.778 -3.958 4.110
249 HG22 THR 35 1HG2 THR 35 -7.980 -4.342 5.635
250 HG23 THR 35 2HG2 THR 35 -9.677 -3.863 5.624
251 H GLY 36 H GLY 36 -12.573 -6.923 5.149
252 HA2 GLY 36 1HA GLY 36 -13.994 -5.729 6.697
253 HA3 GLY 36 2HA GLY 36 -13.640 -4.255 5.809
254 H SER 37 H SER 37 -15.651 -3.631 5.217
255 HA SER 37 HA SER 37 -17.530 -5.531 4.109
256 HB2 SER 37 1HB SER 37 -18.206 -3.610 5.597
257 HB3 SER 37 2HB SER 37 -17.810 -2.524 4.266
258 HG SER 37 HG SER 37 -19.438 -3.404 3.064
259 H GLY 38 H GLY 38 -16.829 -6.250 2.149
260 HA2 GLY 38 1HA GLY 38 -17.142 -4.482 -0.084
261 HA3 GLY 38 2HA GLY 38 -15.460 -4.917 0.181
262 HA PRO 39 HA PRO 39 -16.153 -8.460 -2.326
263 HB2 PRO 39 1HB PRO 39 -14.039 -9.964 -1.527
264 HB3 PRO 39 2HB PRO 39 -13.870 -8.547 -2.570
265 HG2 PRO 39 1HG PRO 39 -13.433 -8.790 0.382
266 HG3 PRO 39 2HG PRO 39 -12.454 -7.940 -0.828
267 HD2 PRO 39 1HD PRO 39 -14.201 -6.657 0.794
268 HD3 PRO 39 2HD PRO 39 -13.853 -6.109 -0.859
269 H SER 40 H SER 40 -18.114 -9.164 -1.328
270 HA SER 40 HA SER 40 -18.449 -10.475 1.056
271 HB2 SER 40 1HB SER 40 -19.823 -10.850 -1.601
272 HB3 SER 40 2HB SER 40 -20.323 -11.740 -0.163
273 HG SER 40 HG SER 40 -20.272 -9.407 0.747
274 H SER 41 H SER 41 -17.585 -11.939 -2.067
275 HA SER 41 HA SER 41 -17.539 -14.582 -1.508
276 HB2 SER 41 1HB SER 41 -16.796 -13.438 -3.652
277 HB3 SER 41 2HB SER 41 -15.213 -13.245 -2.899
278 HG SER 41 HG SER 41 -15.366 -15.619 -2.560
279 H GLY 42 H GLY 42 -15.974 -16.090 -0.737
280 HA2 GLY 42 1HA GLY 42 -14.923 -15.583 1.756
281 HA3 GLY 42 2HA GLY 42 -14.358 -16.870 0.700
Start of MODEL 19
1 H1 GLY 1 H GLY 1 10.340 -6.513 -25.929
2 HA2 GLY 1 1HA GLY 1 11.255 -6.990 -23.813
3 HA3 GLY 1 2HA GLY 1 12.861 -6.969 -24.527
4 H SER 2 H SER 2 10.130 -4.770 -23.891
5 HA SER 2 HA SER 2 11.832 -2.462 -23.840
6 HB2 SER 2 1HB SER 2 9.324 -2.572 -24.458
7 HB3 SER 2 2HB SER 2 9.039 -2.555 -22.717
8 HG SER 2 HG SER 2 9.567 -0.501 -24.323
9 H SER 3 H SER 3 13.323 -2.456 -22.250
10 HA SER 3 HA SER 3 12.445 -3.029 -19.506
11 HB2 SER 3 1HB SER 3 14.537 -4.116 -20.709
12 HB3 SER 3 2HB SER 3 15.323 -2.619 -20.208
13 HG SER 3 HG SER 3 14.620 -4.780 -18.724
14 H GLY 4 H GLY 4 12.009 -1.360 -18.235
15 HA2 GLY 4 1HA GLY 4 13.708 0.836 -17.844
16 HA3 GLY 4 2HA GLY 4 12.441 1.324 -18.960
17 H SER 5 H SER 5 13.288 1.466 -15.844
18 HA SER 5 HA SER 5 10.494 1.371 -14.906
19 HB2 SER 5 1HB SER 5 11.232 0.698 -12.747
20 HB3 SER 5 2HB SER 5 12.109 -0.319 -13.890
21 HG SER 5 HG SER 5 13.656 0.405 -12.551
22 H SER 6 H SER 6 11.457 3.631 -16.171
23 HA SER 6 HA SER 6 12.251 5.513 -14.092
24 HB2 SER 6 1HB SER 6 12.332 7.146 -16.010
25 HB3 SER 6 2HB SER 6 13.416 5.765 -16.178
26 HG SER 6 HG SER 6 12.287 5.067 -17.828
27 H GLY 7 H GLY 7 11.093 7.568 -13.854
28 HA2 GLY 7 1HA GLY 7 9.192 8.814 -13.509
29 HA3 GLY 7 2HA GLY 7 8.458 7.925 -14.836
30 H GLY 8 H GLY 8 9.283 7.649 -11.391
31 HA2 GLY 8 1HA GLY 8 6.825 7.011 -10.411
32 HA3 GLY 8 2HA GLY 8 7.443 5.470 -10.986
33 H GLU 9 H GLU 9 6.831 6.497 -8.247
34 HA GLU 9 HA GLU 9 9.057 5.318 -6.927
35 HB2 GLU 9 1HB GLU 9 9.526 7.431 -5.532
36 HB3 GLU 9 2HB GLU 9 10.232 7.327 -7.139
37 HG2 GLU 9 1HG GLU 9 8.279 8.669 -7.970
38 HG3 GLU 9 2HG GLU 9 7.840 8.928 -6.283
39 H LYS 10 H LYS 10 8.050 4.171 -5.428
40 HA LYS 10 HA LYS 10 6.321 5.447 -3.508
41 HB2 LYS 10 1HB LYS 10 5.209 3.223 -5.230
42 HB3 LYS 10 2HB LYS 10 4.392 3.998 -3.878
43 HG2 LYS 10 1HG LYS 10 4.480 6.142 -5.134
44 HG3 LYS 10 2HG LYS 10 5.135 5.253 -6.511
45 HD2 LYS 10 1HD LYS 10 3.152 4.132 -6.897
46 HD3 LYS 10 2HD LYS 10 2.592 4.338 -5.236
47 HE2 LYS 10 1HE LYS 10 1.263 5.771 -6.569
48 HE3 LYS 10 2HE LYS 10 2.417 6.806 -5.730
49 HZ1 LYS 10 3HZ LYS 10 2.771 5.829 -8.510
50 HZ2 LYS 10 1HZ LYS 10 3.735 6.959 -7.700
51 HZ3 LYS 10 2HZ LYS 10 2.140 7.347 -8.109
52 HA PRO 11 HA PRO 11 8.707 2.280 -1.391
53 HB2 PRO 11 1HB PRO 11 8.214 3.249 1.097
54 HB3 PRO 11 2HB PRO 11 9.430 3.944 0.019
55 HG2 PRO 11 1HG PRO 11 6.637 4.870 0.571
56 HG3 PRO 11 2HG PRO 11 8.124 5.825 0.423
57 HD2 PRO 11 1HD PRO 11 6.325 5.609 -1.589
58 HD3 PRO 11 2HD PRO 11 8.066 5.790 -1.881
59 H TYR 12 H TYR 12 5.455 3.359 -0.463
60 HA TYR 12 HA TYR 12 4.892 0.851 0.874
61 HB2 TYR 12 1HB TYR 12 2.984 3.117 0.276
62 HB3 TYR 12 2HB TYR 12 2.771 1.831 1.459
63 HD1 TYR 12 HD1 TYR 12 4.097 1.828 3.539
64 HD2 TYR 12 HD2 TYR 12 4.325 5.044 0.763
65 HE1 TYR 12 HE1 TYR 12 5.143 3.235 5.264
66 HE2 TYR 12 HE2 TYR 12 5.373 6.459 2.479
67 HH TYR 12 HH TYR 12 5.242 6.295 5.329
68 H LYS 13 H LYS 13 3.879 -0.851 0.020
69 HA LYS 13 HA LYS 13 2.436 -0.519 -2.518
70 HB2 LYS 13 1HB LYS 13 4.553 -1.392 -3.187
71 HB3 LYS 13 2HB LYS 13 4.555 -2.569 -1.880
72 HG2 LYS 13 1HG LYS 13 2.355 -3.386 -3.103
73 HG3 LYS 13 2HG LYS 13 3.143 -2.624 -4.486
74 HD2 LYS 13 1HD LYS 13 5.034 -4.036 -4.305
75 HD3 LYS 13 2HD LYS 13 4.544 -4.608 -2.709
76 HE2 LYS 13 1HE LYS 13 3.841 -6.379 -3.954
77 HE3 LYS 13 2HE LYS 13 2.396 -5.375 -4.063
78 HZ1 LYS 13 3HZ LYS 13 4.457 -4.975 -6.090
79 HZ2 LYS 13 1HZ LYS 13 2.773 -4.903 -6.231
80 HZ3 LYS 13 2HZ LYS 13 3.554 -6.402 -6.184
81 H CYS 14 H CYS 14 0.619 -1.755 -2.757
82 HA CYS 14 HA CYS 14 -0.377 -3.035 -0.351
83 HB2 CYS 14 1HB CYS 14 -1.934 -1.594 -1.442
84 HB3 CYS 14 2HB CYS 14 -1.644 -2.353 -3.004
85 H GLU 15 H GLU 15 0.078 -5.098 0.014
86 HA GLU 15 HA GLU 15 0.872 -6.889 -2.078
87 HB2 GLU 15 1HB GLU 15 0.226 -7.501 0.812
88 HB3 GLU 15 2HB GLU 15 1.089 -8.549 -0.305
89 HG2 GLU 15 1HG GLU 15 2.798 -6.681 -0.498
90 HG3 GLU 15 2HG GLU 15 2.004 -5.963 0.903
91 H THR 16 H THR 16 -2.084 -6.142 -0.434
92 HA THR 16 HA THR 16 -3.536 -8.490 -0.826
93 HB THR 16 HB THR 16 -4.466 -5.618 -0.761
94 HG1 THR 16 HG1 THR 16 -5.300 -6.644 1.343
95 HG21 THR 16 3HG2 THR 16 -6.721 -6.652 -0.264
96 HG22 THR 16 1HG2 THR 16 -6.061 -8.173 -0.864
97 HG23 THR 16 2HG2 THR 16 -6.175 -6.777 -1.936
98 H CYS 17 H CYS 17 -2.924 -5.784 -3.004
99 HA CYS 17 HA CYS 17 -4.050 -7.393 -5.196
100 HB2 CYS 17 1HB CYS 17 -5.025 -5.453 -6.208
101 HB3 CYS 17 2HB CYS 17 -5.558 -5.494 -4.530
102 H GLY 18 H GLY 18 -1.810 -4.830 -4.237
103 HA2 GLY 18 1HA GLY 18 0.510 -5.196 -5.081
104 HA3 GLY 18 2HA GLY 18 -0.226 -5.439 -6.658
105 H ALA 19 H ALA 19 -1.708 -3.029 -4.760
106 HA ALA 19 HA ALA 19 -1.068 -0.983 -6.619
107 HB1 ALA 19 3HB ALA 19 -2.357 0.476 -5.213
108 HB2 ALA 19 1HB ALA 19 -3.174 -1.084 -5.310
109 HB3 ALA 19 2HB ALA 19 -2.253 -0.658 -3.867
110 H ARG 20 H ARG 20 -0.410 1.268 -5.505
111 HA ARG 20 HA ARG 20 1.790 0.968 -3.642
112 HB2 ARG 20 1HB ARG 20 2.177 1.735 -6.524
113 HB3 ARG 20 2HB ARG 20 3.292 2.279 -5.278
114 HG2 ARG 20 1HG ARG 20 3.893 0.030 -4.737
115 HG3 ARG 20 2HG ARG 20 2.632 -0.610 -5.793
116 HD2 ARG 20 1HD ARG 20 4.943 1.075 -6.745
117 HD3 ARG 20 2HD ARG 20 4.937 -0.689 -6.757
118 HE ARG 20 HE ARG 20 3.575 1.062 -8.583
119 HH11 ARG 20 1HH1 ARG 20 3.613 -2.113 -7.155
120 HH12 ARG 20 2HH1 ARG 20 2.747 -2.853 -8.461
121 HH21 ARG 20 1HH2 ARG 20 2.434 0.099 -10.308
122 HH22 ARG 20 2HH2 ARG 20 2.078 -1.594 -10.254
123 H PHE 21 H PHE 21 2.630 3.029 -2.898
124 HA PHE 21 HA PHE 21 1.267 5.449 -3.663
125 HB2 PHE 21 1HB PHE 21 0.925 4.536 -0.809
126 HB3 PHE 21 2HB PHE 21 0.153 5.900 -1.611
127 HD1 PHE 21 HD2 PHE 21 0.375 2.189 -1.745
128 HD2 PHE 21 HD1 PHE 21 -1.971 5.662 -2.486
129 HE1 PHE 21 HE2 PHE 21 -1.553 0.764 -2.298
130 HE2 PHE 21 HE1 PHE 21 -3.904 4.243 -3.040
131 HZ PHE 21 HZ PHE 21 -3.696 1.791 -2.948
132 H VAL 22 H VAL 22 2.099 7.344 -2.513
133 HA VAL 22 HA VAL 22 4.932 7.086 -2.057
134 HB VAL 22 HB VAL 22 4.374 9.021 -3.252
135 HG11 VAL 22 1HG1 VAL 22 2.720 10.703 -2.289
136 HG12 VAL 22 2HG1 VAL 22 2.051 9.210 -2.952
137 HG13 VAL 22 3HG1 VAL 22 2.208 9.408 -1.206
138 HG21 VAL 22 3HG2 VAL 22 5.173 10.827 -1.910
139 HG22 VAL 22 1HG2 VAL 22 4.652 10.028 -0.426
140 HG23 VAL 22 2HG2 VAL 22 5.987 9.360 -1.366
141 H GLN 23 H GLN 23 2.064 7.746 -0.128
142 HA GLN 23 HA GLN 23 3.740 7.594 2.290
143 HB2 GLN 23 1HB GLN 23 1.515 9.436 1.575
144 HB3 GLN 23 2HB GLN 23 1.629 8.909 3.249
145 HG2 GLN 23 1HG GLN 23 4.059 9.971 1.895
146 HG3 GLN 23 2HG GLN 23 2.814 11.093 2.443
147 HE21 GLN 23 1HE2 GLN 23 5.031 8.572 3.469
148 HE22 GLN 23 2HE2 GLN 23 5.131 9.071 5.120
149 H VAL 24 H VAL 24 3.011 6.348 3.988
150 HA VAL 24 HA VAL 24 1.488 4.088 3.411
151 HB VAL 24 HB VAL 24 3.114 4.666 5.424
152 HG11 VAL 24 1HG1 VAL 24 1.565 6.307 6.415
153 HG12 VAL 24 2HG1 VAL 24 0.388 5.017 6.667
154 HG13 VAL 24 3HG1 VAL 24 1.934 4.979 7.514
155 HG21 VAL 24 3HG2 VAL 24 1.470 2.537 4.724
156 HG22 VAL 24 1HG2 VAL 24 2.796 2.511 5.887
157 HG23 VAL 24 2HG2 VAL 24 1.146 2.803 6.436
158 H ALA 25 H ALA 25 0.560 7.106 5.015
159 HA ALA 25 HA ALA 25 -1.951 6.519 5.925
160 HB1 ALA 25 3HB ALA 25 -2.117 9.067 4.680
161 HB2 ALA 25 1HB ALA 25 -1.890 8.686 6.388
162 HB3 ALA 25 2HB ALA 25 -0.489 8.874 5.332
163 H HIS 26 H HIS 26 -0.903 6.814 2.627
164 HA HIS 26 HA HIS 26 -3.595 6.954 1.568
165 HB2 HIS 26 1HB HIS 26 -1.083 6.418 -0.010
166 HB3 HIS 26 2HB HIS 26 -2.594 7.123 -0.576
167 HD1 HIS 26 HD1 HIS 26 -0.446 8.838 -1.351
168 HD2 HIS 26 HD2 HIS 26 -1.895 8.986 2.540
169 HE1 HIS 26 HE1 HIS 26 0.260 11.079 -0.456
170 H LEU 27 H LEU 27 -0.914 4.611 1.481
171 HA LEU 27 HA LEU 27 -2.304 2.574 0.149
172 HB2 LEU 27 1HB LEU 27 0.014 2.348 0.224
173 HB3 LEU 27 2HB LEU 27 0.076 2.614 1.965
174 HG LEU 27 HG LEU 27 -0.895 0.391 2.332
175 HD11 LEU 27 1HD1 LEU 27 -1.225 -1.157 0.534
176 HD12 LEU 27 2HD1 LEU 27 -0.630 0.011 -0.645
177 HD13 LEU 27 3HD1 LEU 27 -2.154 0.302 0.192
178 HD21 LEU 27 3HD2 LEU 27 1.562 0.475 0.586
179 HD22 LEU 27 1HD2 LEU 27 1.052 -0.926 1.529
180 HD23 LEU 27 2HD2 LEU 27 1.500 0.572 2.347
181 H ARG 28 H ARG 28 -1.675 2.971 3.637
182 HA ARG 28 HA ARG 28 -3.144 0.767 4.511
183 HB2 ARG 28 1HB ARG 28 -2.985 1.671 6.680
184 HB3 ARG 28 2HB ARG 28 -1.550 2.250 5.845
185 HG2 ARG 28 1HG ARG 28 -2.660 4.404 5.457
186 HG3 ARG 28 2HG ARG 28 -4.072 3.818 6.339
187 HD2 ARG 28 1HD ARG 28 -1.307 3.938 7.525
188 HD3 ARG 28 2HD ARG 28 -2.476 5.252 7.659
189 HE ARG 28 HE ARG 28 -3.521 2.734 8.538
190 HH11 ARG 28 1HH1 ARG 28 -1.620 5.498 9.471
191 HH12 ARG 28 2HH1 ARG 28 -1.944 5.312 11.163
192 HH21 ARG 28 1HH2 ARG 28 -3.954 2.480 10.763
193 HH22 ARG 28 2HH2 ARG 28 -3.271 3.595 11.897
194 H ALA 29 H ALA 29 -4.200 3.782 3.264
195 HA ALA 29 HA ALA 29 -6.869 3.542 4.410
196 HB1 ALA 29 3HB ALA 29 -6.223 5.764 4.396
197 HB2 ALA 29 1HB ALA 29 -5.458 5.640 2.812
198 HB3 ALA 29 2HB ALA 29 -7.217 5.650 2.945
199 H HIS 30 H HIS 30 -5.189 2.479 1.684
200 HA HIS 30 HA HIS 30 -7.604 2.323 0.032
201 HB2 HIS 30 1HB HIS 30 -5.940 3.047 -1.381
202 HB3 HIS 30 2HB HIS 30 -4.678 2.176 -0.515
203 HD1 HIS 30 HD1 HIS 30 -6.991 1.905 -3.372
204 HD2 HIS 30 HD2 HIS 30 -4.482 -0.600 -1.206
205 HE1 HIS 30 HE1 HIS 30 -6.736 -0.167 -4.774
206 H VAL 31 H VAL 31 -5.252 0.332 1.709
207 HA VAL 31 HA VAL 31 -5.992 -2.169 0.664
208 HB VAL 31 HB VAL 31 -5.177 -2.921 3.075
209 HG11 VAL 31 1HG1 VAL 31 -4.047 -3.231 0.862
210 HG12 VAL 31 2HG1 VAL 31 -3.247 -1.680 1.123
211 HG13 VAL 31 3HG1 VAL 31 -2.950 -3.024 2.227
212 HG21 VAL 31 3HG2 VAL 31 -4.190 -1.374 4.382
213 HG22 VAL 31 1HG2 VAL 31 -3.557 -0.468 3.008
214 HG23 VAL 31 2HG2 VAL 31 -5.233 -0.249 3.512
215 H LEU 32 H LEU 32 -7.579 -0.075 2.870
216 HA LEU 32 HA LEU 32 -9.091 -1.986 4.312
217 HB2 LEU 32 1HB LEU 32 -9.896 0.846 3.687
218 HB3 LEU 32 2HB LEU 32 -10.438 -0.150 5.036
219 HG LEU 32 HG LEU 32 -7.604 0.817 4.684
220 HD11 LEU 32 1HD1 LEU 32 -9.788 1.941 6.432
221 HD12 LEU 32 2HD1 LEU 32 -9.142 2.702 4.979
222 HD13 LEU 32 3HD1 LEU 32 -8.107 2.471 6.387
223 HD21 LEU 32 3HD2 LEU 32 -8.742 -1.164 6.325
224 HD22 LEU 32 1HD2 LEU 32 -8.408 0.221 7.364
225 HD23 LEU 32 2HD2 LEU 32 -7.112 -0.494 6.404
226 H ILE 33 H ILE 33 -9.276 -0.855 1.105
227 HA ILE 33 HA ILE 33 -12.028 -1.036 0.593
228 HB ILE 33 HB ILE 33 -11.476 -1.197 -1.735
229 HG12 ILE 33 1HG1 ILE 33 -8.750 -2.029 -0.745
230 HG13 ILE 33 2HG1 ILE 33 -9.845 -2.932 -1.786
231 HG21 ILE 33 1HG2 ILE 33 -11.142 0.990 -1.113
232 HG22 ILE 33 2HG2 ILE 33 -9.787 0.595 -0.056
233 HG23 ILE 33 3HG2 ILE 33 -9.570 0.592 -1.806
234 HD11 ILE 33 3HD1 ILE 33 -9.521 -0.963 -3.425
235 HD12 ILE 33 1HD1 ILE 33 -8.096 -0.608 -2.449
236 HD13 ILE 33 2HD1 ILE 33 -8.245 -2.169 -3.258
237 H HIS 34 H HIS 34 -9.463 -3.480 0.382
238 HA HIS 34 HA HIS 34 -11.251 -5.553 -0.470
239 HB2 HIS 34 1HB HIS 34 -8.561 -6.064 0.762
240 HB3 HIS 34 2HB HIS 34 -9.382 -6.959 -0.513
241 HD1 HIS 34 HD1 HIS 34 -9.286 -5.941 -2.920
242 HD2 HIS 34 HD2 HIS 34 -7.008 -3.929 -0.087
243 HE1 HIS 34 HE1 HIS 34 -7.754 -4.440 -4.232
244 H THR 35 H THR 35 -9.542 -4.838 2.568
245 HA THR 35 HA THR 35 -10.885 -6.948 3.986
246 HB THR 35 HB THR 35 -8.616 -6.277 4.630
247 HG1 THR 35 HG1 THR 35 -9.013 -6.437 6.788
248 HG21 THR 35 3HG2 THR 35 -8.346 -4.132 5.910
249 HG22 THR 35 1HG2 THR 35 -9.940 -3.657 5.325
250 HG23 THR 35 2HG2 THR 35 -8.625 -3.930 4.181
251 H GLY 36 H GLY 36 -12.817 -5.376 2.837
252 HA2 GLY 36 1HA GLY 36 -13.785 -3.418 4.723
253 HA3 GLY 36 2HA GLY 36 -14.605 -3.962 3.268
254 H SER 37 H SER 37 -15.849 -5.899 3.345
255 HA SER 37 HA SER 37 -17.136 -6.267 5.902
256 HB2 SER 37 1HB SER 37 -17.654 -7.262 3.113
257 HB3 SER 37 2HB SER 37 -18.501 -7.972 4.487
258 HG SER 37 HG SER 37 -19.065 -5.713 5.016
259 H GLY 38 H GLY 38 -17.224 -8.149 7.114
260 HA2 GLY 38 1HA GLY 38 -16.667 -10.317 7.760
261 HA3 GLY 38 2HA GLY 38 -15.766 -10.504 6.263
262 HA PRO 39 HA PRO 39 -12.969 -8.337 9.616
263 HB2 PRO 39 1HB PRO 39 -13.635 -8.999 12.164
264 HB3 PRO 39 2HB PRO 39 -14.261 -7.560 11.350
265 HG2 PRO 39 1HG PRO 39 -15.562 -10.227 11.750
266 HG3 PRO 39 2HG PRO 39 -16.259 -8.605 11.919
267 HD2 PRO 39 1HD PRO 39 -16.650 -10.137 9.721
268 HD3 PRO 39 2HD PRO 39 -16.571 -8.364 9.648
269 H SER 40 H SER 40 -11.169 -9.281 10.693
270 HA SER 40 HA SER 40 -11.092 -12.210 10.456
271 HB2 SER 40 1HB SER 40 -8.867 -10.159 10.395
272 HB3 SER 40 2HB SER 40 -8.605 -11.903 10.371
273 HG SER 40 HG SER 40 -8.882 -11.758 8.303
274 H SER 41 H SER 41 -12.307 -11.248 12.720
275 HA SER 41 HA SER 41 -10.361 -11.180 14.871
276 HB2 SER 41 1HB SER 41 -12.540 -9.814 14.776
277 HB3 SER 41 2HB SER 41 -13.353 -11.317 15.211
278 HG SER 41 HG SER 41 -12.114 -9.603 16.810
279 H GLY 42 H GLY 42 -13.198 -13.203 14.083
280 HA2 GLY 42 1HA GLY 42 -12.914 -15.628 14.013
281 HA3 GLY 42 2HA GLY 42 -11.783 -15.465 15.348
Start of MODEL 20
1 H1 GLY 1 H GLY 1 -8.245 18.051 -20.788
2 HA2 GLY 1 1HA GLY 1 -8.152 19.998 -19.509
3 HA3 GLY 1 2HA GLY 1 -9.324 19.075 -18.580
4 H SER 2 H SER 2 -7.989 17.259 -17.228
5 HA SER 2 HA SER 2 -5.857 18.714 -15.808
6 HB2 SER 2 1HB SER 2 -6.716 17.786 -13.691
7 HB3 SER 2 2HB SER 2 -7.924 18.792 -14.490
8 HG SER 2 HG SER 2 -9.027 16.988 -15.099
9 H SER 3 H SER 3 -4.310 17.517 -17.002
10 HA SER 3 HA SER 3 -4.207 14.755 -17.281
11 HB2 SER 3 1HB SER 3 -1.836 15.023 -17.722
12 HB3 SER 3 2HB SER 3 -2.710 16.373 -18.446
13 HG SER 3 HG SER 3 -0.708 16.522 -16.785
14 H GLY 4 H GLY 4 -3.380 13.084 -16.077
15 HA2 GLY 4 1HA GLY 4 -2.274 13.691 -13.431
16 HA3 GLY 4 2HA GLY 4 -3.729 12.708 -13.510
17 H SER 5 H SER 5 -0.848 12.707 -15.587
18 HA SER 5 HA SER 5 -0.677 9.997 -15.969
19 HB2 SER 5 1HB SER 5 1.336 12.205 -16.013
20 HB3 SER 5 2HB SER 5 1.916 10.542 -16.110
21 HG SER 5 HG SER 5 1.347 10.576 -18.120
22 H SER 6 H SER 6 0.628 8.335 -15.062
23 HA SER 6 HA SER 6 0.886 8.583 -12.162
24 HB2 SER 6 1HB SER 6 0.850 6.203 -12.077
25 HB3 SER 6 2HB SER 6 -0.364 6.662 -13.271
26 HG SER 6 HG SER 6 1.691 5.053 -13.609
27 H GLY 7 H GLY 7 2.772 7.700 -11.069
28 HA2 GLY 7 1HA GLY 7 5.219 8.080 -12.681
29 HA3 GLY 7 2HA GLY 7 5.084 8.506 -10.981
30 H GLY 8 H GLY 8 6.202 7.172 -9.733
31 HA2 GLY 8 1HA GLY 8 5.789 4.338 -9.842
32 HA3 GLY 8 2HA GLY 8 7.376 4.799 -10.440
33 H GLU 9 H GLU 9 8.038 6.867 -8.756
34 HA GLU 9 HA GLU 9 9.191 5.649 -6.599
35 HB2 GLU 9 1HB GLU 9 9.266 7.939 -5.548
36 HB3 GLU 9 2HB GLU 9 9.892 7.844 -7.188
37 HG2 GLU 9 1HG GLU 9 7.666 8.657 -7.990
38 HG3 GLU 9 2HG GLU 9 7.238 8.941 -6.304
39 H LYS 10 H LYS 10 8.024 4.299 -5.336
40 HA LYS 10 HA LYS 10 6.238 5.489 -3.412
41 HB2 LYS 10 1HB LYS 10 5.206 3.315 -5.244
42 HB3 LYS 10 2HB LYS 10 4.352 3.990 -3.862
43 HG2 LYS 10 1HG LYS 10 4.301 6.174 -4.968
44 HG3 LYS 10 2HG LYS 10 5.135 5.480 -6.361
45 HD2 LYS 10 1HD LYS 10 3.293 4.293 -7.042
46 HD3 LYS 10 2HD LYS 10 2.625 4.185 -5.412
47 HE2 LYS 10 1HE LYS 10 1.835 6.407 -5.484
48 HE3 LYS 10 2HE LYS 10 2.797 6.785 -6.912
49 HZ1 LYS 10 3HZ LYS 10 0.260 5.345 -6.707
50 HZ2 LYS 10 1HZ LYS 10 1.339 4.861 -7.917
51 HZ3 LYS 10 2HZ LYS 10 0.780 6.456 -7.872
52 HA PRO 11 HA PRO 11 8.665 2.286 -1.377
53 HB2 PRO 11 1HB PRO 11 8.206 3.222 1.130
54 HB3 PRO 11 2HB PRO 11 9.416 3.924 0.049
55 HG2 PRO 11 1HG PRO 11 6.636 4.861 0.646
56 HG3 PRO 11 2HG PRO 11 8.128 5.808 0.496
57 HD2 PRO 11 1HD PRO 11 6.305 5.635 -1.499
58 HD3 PRO 11 2HD PRO 11 8.045 5.807 -1.808
59 H TYR 12 H TYR 12 5.427 3.370 -0.416
60 HA TYR 12 HA TYR 12 4.860 0.858 0.909
61 HB2 TYR 12 1HB TYR 12 2.934 3.108 0.317
62 HB3 TYR 12 2HB TYR 12 2.759 1.838 1.524
63 HD1 TYR 12 HD1 TYR 12 4.048 1.912 3.603
64 HD2 TYR 12 HD2 TYR 12 4.331 5.033 0.726
65 HE1 TYR 12 HE1 TYR 12 5.105 3.360 5.287
66 HE2 TYR 12 HE2 TYR 12 5.390 6.489 2.401
67 HH TYR 12 HH TYR 12 5.960 6.721 4.543
68 H LYS 13 H LYS 13 3.905 -0.853 0.022
69 HA LYS 13 HA LYS 13 2.429 -0.508 -2.498
70 HB2 LYS 13 1HB LYS 13 4.547 -1.358 -3.189
71 HB3 LYS 13 2HB LYS 13 4.572 -2.541 -1.887
72 HG2 LYS 13 1HG LYS 13 2.369 -3.371 -3.100
73 HG3 LYS 13 2HG LYS 13 3.148 -2.603 -4.485
74 HD2 LYS 13 1HD LYS 13 5.056 -3.999 -4.299
75 HD3 LYS 13 2HD LYS 13 4.555 -4.588 -2.712
76 HE2 LYS 13 1HE LYS 13 3.876 -6.351 -3.984
77 HE3 LYS 13 2HE LYS 13 2.423 -5.357 -4.086
78 HZ1 LYS 13 3HZ LYS 13 3.156 -6.224 -6.252
79 HZ2 LYS 13 1HZ LYS 13 4.603 -5.360 -6.102
80 HZ3 LYS 13 2HZ LYS 13 3.132 -4.533 -6.210
81 H CYS 14 H CYS 14 0.613 -1.738 -2.727
82 HA CYS 14 HA CYS 14 -0.354 -3.058 -0.332
83 HB2 CYS 14 1HB CYS 14 -1.866 -1.549 -1.493
84 HB3 CYS 14 2HB CYS 14 -1.692 -2.474 -2.981
85 H GLU 15 H GLU 15 0.100 -5.125 0.004
86 HA GLU 15 HA GLU 15 0.901 -6.885 -2.109
87 HB2 GLU 15 1HB GLU 15 0.240 -7.539 0.768
88 HB3 GLU 15 2HB GLU 15 1.109 -8.571 -0.360
89 HG2 GLU 15 1HG GLU 15 2.795 -6.651 -0.518
90 HG3 GLU 15 2HG GLU 15 2.016 -6.030 0.936
91 H THR 16 H THR 16 -2.062 -6.185 -0.446
92 HA THR 16 HA THR 16 -3.510 -8.520 -0.885
93 HB THR 16 HB THR 16 -4.438 -5.649 -0.788
94 HG1 THR 16 HG1 THR 16 -4.145 -6.044 1.266
95 HG21 THR 16 3HG2 THR 16 -6.704 -6.657 -0.357
96 HG22 THR 16 1HG2 THR 16 -6.051 -8.194 -0.922
97 HG23 THR 16 2HG2 THR 16 -6.123 -6.811 -2.015
98 H CYS 17 H CYS 17 -2.927 -5.771 -3.023
99 HA CYS 17 HA CYS 17 -4.033 -7.363 -5.240
100 HB2 CYS 17 1HB CYS 17 -4.960 -5.381 -6.247
101 HB3 CYS 17 2HB CYS 17 -5.546 -5.482 -4.590
102 H GLY 18 H GLY 18 -1.775 -4.831 -4.243
103 HA2 GLY 18 1HA GLY 18 0.544 -5.187 -5.075
104 HA3 GLY 18 2HA GLY 18 -0.179 -5.440 -6.656
105 H ALA 19 H ALA 19 -1.678 -3.020 -4.784
106 HA ALA 19 HA ALA 19 -1.007 -0.984 -6.649
107 HB1 ALA 19 3HB ALA 19 -2.865 -1.330 -4.525
108 HB2 ALA 19 1HB ALA 19 -2.007 0.191 -4.275
109 HB3 ALA 19 2HB ALA 19 -2.854 -0.106 -5.794
110 H ARG 20 H ARG 20 -0.360 1.270 -5.566
111 HA ARG 20 HA ARG 20 1.802 0.979 -3.649
112 HB2 ARG 20 1HB ARG 20 2.222 1.760 -6.523
113 HB3 ARG 20 2HB ARG 20 3.314 2.314 -5.261
114 HG2 ARG 20 1HG ARG 20 4.019 0.126 -4.765
115 HG3 ARG 20 2HG ARG 20 2.689 -0.591 -5.676
116 HD2 ARG 20 1HD ARG 20 5.038 0.936 -6.788
117 HD3 ARG 20 2HD ARG 20 4.728 -0.793 -6.946
118 HE ARG 20 HE ARG 20 2.540 0.266 -8.071
119 HH11 ARG 20 1HH1 ARG 20 5.928 0.946 -8.496
120 HH12 ARG 20 2HH1 ARG 20 5.758 1.425 -10.152
121 HH21 ARG 20 1HH2 ARG 20 2.303 0.895 -10.251
122 HH22 ARG 20 2HH2 ARG 20 3.696 1.396 -11.150
123 H PHE 21 H PHE 21 2.630 3.050 -2.899
124 HA PHE 21 HA PHE 21 1.239 5.457 -3.660
125 HB2 PHE 21 1HB PHE 21 0.912 4.526 -0.809
126 HB3 PHE 21 2HB PHE 21 0.130 5.891 -1.599
127 HD1 PHE 21 HD2 PHE 21 0.369 2.183 -1.746
128 HD2 PHE 21 HD1 PHE 21 -1.990 5.647 -2.487
129 HE1 PHE 21 HE2 PHE 21 -1.551 0.751 -2.306
130 HE2 PHE 21 HE1 PHE 21 -3.915 4.221 -3.047
131 HZ PHE 21 HZ PHE 21 -3.697 1.769 -2.959
132 H VAL 22 H VAL 22 2.063 7.360 -2.536
133 HA VAL 22 HA VAL 22 4.895 7.140 -2.087
134 HB VAL 22 HB VAL 22 4.301 9.078 -3.257
135 HG11 VAL 22 1HG1 VAL 22 2.139 9.411 -1.197
136 HG12 VAL 22 2HG1 VAL 22 2.623 10.722 -2.276
137 HG13 VAL 22 3HG1 VAL 22 1.976 9.222 -2.943
138 HG21 VAL 22 3HG2 VAL 22 5.938 9.470 -1.447
139 HG22 VAL 22 1HG2 VAL 22 5.009 10.913 -1.852
140 HG23 VAL 22 2HG2 VAL 22 4.619 9.993 -0.399
141 H GLN 23 H GLN 23 2.036 7.765 -0.126
142 HA GLN 23 HA GLN 23 3.735 7.596 2.275
143 HB2 GLN 23 1HB GLN 23 1.452 9.407 1.623
144 HB3 GLN 23 2HB GLN 23 1.674 8.903 3.293
145 HG2 GLN 23 1HG GLN 23 4.019 9.974 1.818
146 HG3 GLN 23 2HG GLN 23 2.771 11.099 2.351
147 HE21 GLN 23 1HE2 GLN 23 5.108 8.712 3.402
148 HE22 GLN 23 2HE2 GLN 23 5.222 9.263 5.036
149 H VAL 24 H VAL 24 2.994 6.368 3.995
150 HA VAL 24 HA VAL 24 1.499 4.087 3.410
151 HB VAL 24 HB VAL 24 3.115 4.677 5.425
152 HG11 VAL 24 1HG1 VAL 24 0.396 4.984 6.690
153 HG12 VAL 24 2HG1 VAL 24 1.959 5.020 7.507
154 HG13 VAL 24 3HG1 VAL 24 1.517 6.312 6.390
155 HG21 VAL 24 3HG2 VAL 24 1.914 2.476 4.683
156 HG22 VAL 24 1HG2 VAL 24 2.637 2.595 6.287
157 HG23 VAL 24 2HG2 VAL 24 0.896 2.793 6.088
158 H ALA 25 H ALA 25 0.539 7.114 4.970
159 HA ALA 25 HA ALA 25 -1.967 6.506 5.892
160 HB1 ALA 25 3HB ALA 25 -0.700 8.967 4.844
161 HB2 ALA 25 1HB ALA 25 -2.458 8.971 4.995
162 HB3 ALA 25 2HB ALA 25 -1.451 8.653 6.409
163 H HIS 26 H HIS 26 -0.923 6.831 2.588
164 HA HIS 26 HA HIS 26 -3.610 6.928 1.525
165 HB2 HIS 26 1HB HIS 26 -1.086 6.396 -0.037
166 HB3 HIS 26 2HB HIS 26 -2.602 7.076 -0.621
167 HD1 HIS 26 HD1 HIS 26 -0.530 8.834 -1.427
168 HD2 HIS 26 HD2 HIS 26 -1.883 8.958 2.499
169 HE1 HIS 26 HE1 HIS 26 0.158 11.088 -0.549
170 H LEU 27 H LEU 27 -0.917 4.597 1.462
171 HA LEU 27 HA LEU 27 -2.297 2.543 0.144
172 HB2 LEU 27 1HB LEU 27 0.024 2.333 0.222
173 HB3 LEU 27 2HB LEU 27 0.082 2.606 1.962
174 HG LEU 27 HG LEU 27 -0.860 0.382 2.345
175 HD11 LEU 27 1HD1 LEU 27 -2.150 0.295 0.212
176 HD12 LEU 27 2HD1 LEU 27 -1.240 -1.172 0.572
177 HD13 LEU 27 3HD1 LEU 27 -0.635 -0.032 -0.630
178 HD21 LEU 27 3HD2 LEU 27 1.077 -0.936 1.442
179 HD22 LEU 27 1HD2 LEU 27 1.514 0.511 2.351
180 HD23 LEU 27 2HD2 LEU 27 1.582 0.523 0.588
181 H ARG 28 H ARG 28 -1.646 2.939 3.629
182 HA ARG 28 HA ARG 28 -3.122 0.744 4.511
183 HB2 ARG 28 1HB ARG 28 -2.958 1.655 6.681
184 HB3 ARG 28 2HB ARG 28 -1.515 2.206 5.841
185 HG2 ARG 28 1HG ARG 28 -2.625 4.372 5.425
186 HG3 ARG 28 2HG ARG 28 -4.006 3.810 6.371
187 HD2 ARG 28 1HD ARG 28 -1.194 3.931 7.442
188 HD3 ARG 28 2HD ARG 28 -2.353 5.249 7.609
189 HE ARG 28 HE ARG 28 -2.276 2.828 9.122
190 HH11 ARG 28 1HH1 ARG 28 -4.387 5.288 7.853
191 HH12 ARG 28 2HH1 ARG 28 -5.605 5.051 9.062
192 HH21 ARG 28 1HH2 ARG 28 -3.871 2.507 10.720
193 HH22 ARG 28 2HH2 ARG 28 -5.310 3.469 10.693
194 H ALA 29 H ALA 29 -4.172 3.770 3.280
195 HA ALA 29 HA ALA 29 -6.835 3.537 4.438
196 HB1 ALA 29 3HB ALA 29 -7.253 5.666 3.176
197 HB2 ALA 29 1HB ALA 29 -5.977 5.753 4.391
198 HB3 ALA 29 2HB ALA 29 -5.560 5.623 2.682
199 H HIS 30 H HIS 30 -5.176 2.478 1.698
200 HA HIS 30 HA HIS 30 -7.601 2.335 0.060
201 HB2 HIS 30 1HB HIS 30 -5.952 3.047 -1.370
202 HB3 HIS 30 2HB HIS 30 -4.680 2.194 -0.502
203 HD1 HIS 30 HD1 HIS 30 -6.952 1.905 -3.376
204 HD2 HIS 30 HD2 HIS 30 -4.510 -0.609 -1.145
205 HE1 HIS 30 HE1 HIS 30 -6.696 -0.182 -4.756
206 H VAL 31 H VAL 31 -5.234 0.325 1.699
207 HA VAL 31 HA VAL 31 -5.989 -2.168 0.658
208 HB VAL 31 HB VAL 31 -5.178 -2.926 3.072
209 HG11 VAL 31 1HG1 VAL 31 -2.858 -2.826 2.232
210 HG12 VAL 31 2HG1 VAL 31 -3.998 -3.409 1.018
211 HG13 VAL 31 3HG1 VAL 31 -3.396 -1.752 0.941
212 HG21 VAL 31 3HG2 VAL 31 -4.181 -1.383 4.375
213 HG22 VAL 31 1HG2 VAL 31 -3.542 -0.484 2.998
214 HG23 VAL 31 2HG2 VAL 31 -5.216 -0.252 3.503
215 H LEU 32 H LEU 32 -7.571 -0.077 2.870
216 HA LEU 32 HA LEU 32 -9.085 -1.983 4.312
217 HB2 LEU 32 1HB LEU 32 -9.881 0.849 3.672
218 HB3 LEU 32 2HB LEU 32 -10.447 -0.142 5.014
219 HG LEU 32 HG LEU 32 -7.614 0.842 4.692
220 HD11 LEU 32 1HD1 LEU 32 -9.457 1.874 6.782
221 HD12 LEU 32 2HD1 LEU 32 -9.606 2.511 5.144
222 HD13 LEU 32 3HD1 LEU 32 -8.074 2.647 6.007
223 HD21 LEU 32 3HD2 LEU 32 -8.337 -1.296 6.080
224 HD22 LEU 32 1HD2 LEU 32 -8.778 -0.068 7.267
225 HD23 LEU 32 2HD2 LEU 32 -7.119 -0.166 6.674
226 H ILE 33 H ILE 33 -9.312 -0.773 1.115
227 HA ILE 33 HA ILE 33 -12.047 -0.996 0.600
228 HB ILE 33 HB ILE 33 -11.500 -1.146 -1.728
229 HG12 ILE 33 1HG1 ILE 33 -8.775 -1.989 -0.746
230 HG13 ILE 33 2HG1 ILE 33 -9.871 -2.881 -1.795
231 HG21 ILE 33 1HG2 ILE 33 -9.600 0.643 -1.804
232 HG22 ILE 33 2HG2 ILE 33 -11.162 1.038 -1.090
233 HG23 ILE 33 3HG2 ILE 33 -9.795 0.637 -0.052
234 HD11 ILE 33 3HD1 ILE 33 -8.108 -0.562 -2.436
235 HD12 ILE 33 1HD1 ILE 33 -8.272 -2.112 -3.262
236 HD13 ILE 33 2HD1 ILE 33 -9.538 -0.892 -3.414
237 H HIS 34 H HIS 34 -9.477 -3.432 0.385
238 HA HIS 34 HA HIS 34 -11.250 -5.509 -0.481
239 HB2 HIS 34 1HB HIS 34 -8.575 -6.016 0.786
240 HB3 HIS 34 2HB HIS 34 -9.377 -6.911 -0.502
241 HD1 HIS 34 HD1 HIS 34 -9.240 -5.900 -2.906
242 HD2 HIS 34 HD2 HIS 34 -7.026 -3.865 -0.039
243 HE1 HIS 34 HE1 HIS 34 -7.696 -4.390 -4.195
244 H THR 35 H THR 35 -9.383 -5.087 2.532
245 HA THR 35 HA THR 35 -10.770 -7.109 3.940
246 HB THR 35 HB THR 35 -8.524 -6.320 4.599
247 HG1 THR 35 HG1 THR 35 -9.204 -7.200 6.398
248 HG21 THR 35 3HG2 THR 35 -10.039 -3.804 5.219
249 HG22 THR 35 1HG2 THR 35 -8.536 -4.000 4.318
250 HG23 THR 35 2HG2 THR 35 -8.547 -4.201 6.070
251 H GLY 36 H GLY 36 -12.357 -6.970 5.542
252 HA2 GLY 36 1HA GLY 36 -13.624 -5.205 6.915
253 HA3 GLY 36 2HA GLY 36 -14.041 -4.563 5.333
254 H SER 37 H SER 37 -16.239 -4.929 6.315
255 HA SER 37 HA SER 37 -17.163 -7.651 6.478
256 HB2 SER 37 1HB SER 37 -18.667 -5.024 6.528
257 HB3 SER 37 2HB SER 37 -19.398 -6.603 6.818
258 HG SER 37 HG SER 37 -17.154 -5.903 8.323
259 H GLY 38 H GLY 38 -16.624 -8.414 4.368
260 HA2 GLY 38 1HA GLY 38 -17.142 -8.988 2.208
261 HA3 GLY 38 2HA GLY 38 -18.756 -8.380 2.546
262 HA PRO 39 HA PRO 39 -17.144 -5.695 -0.787
263 HB2 PRO 39 1HB PRO 39 -19.574 -5.305 -1.931
264 HB3 PRO 39 2HB PRO 39 -18.569 -6.718 -2.271
265 HG2 PRO 39 1HG PRO 39 -20.901 -6.456 -0.413
266 HG3 PRO 39 2HG PRO 39 -20.510 -7.769 -1.539
267 HD2 PRO 39 1HD PRO 39 -20.005 -7.928 1.117
268 HD3 PRO 39 2HD PRO 39 -18.979 -8.716 -0.099
269 H SER 40 H SER 40 -16.673 -4.051 0.754
270 HA SER 40 HA SER 40 -18.194 -2.544 2.343
271 HB2 SER 40 1HB SER 40 -15.977 -1.762 0.489
272 HB3 SER 40 2HB SER 40 -16.819 -0.505 1.397
273 HG SER 40 HG SER 40 -15.231 -2.623 2.332
274 H SER 41 H SER 41 -17.891 -1.866 -1.144
275 HA SER 41 HA SER 41 -20.652 -1.149 -1.358
276 HB2 SER 41 1HB SER 41 -20.390 1.193 -1.906
277 HB3 SER 41 2HB SER 41 -19.680 0.908 -0.317
278 HG SER 41 HG SER 41 -18.459 1.571 -2.724
279 H GLY 42 H GLY 42 -21.312 -0.775 -3.536
280 HA2 GLY 42 1HA GLY 42 -21.045 -0.744 -5.857
281 HA3 GLY 42 2HA GLY 42 -19.317 -0.971 -5.638