NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
504717 |
2emw   |
10225 | 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 33.028 -1.699 5.581
2 HA2 GLY 1 1HA GLY 1 33.768 -3.432 3.303
3 HA3 GLY 1 2HA GLY 1 33.919 -3.926 4.982
4 H SER 2 H SER 2 31.998 -4.055 2.254
5 HA SER 2 HA SER 2 29.915 -5.443 3.685
6 HB2 SER 2 1HB SER 2 29.428 -2.776 2.387
7 HB3 SER 2 2HB SER 2 28.139 -3.976 2.479
8 HG SER 2 HG SER 2 28.310 -3.945 4.713
9 H SER 3 H SER 3 29.154 -7.070 2.484
10 HA SER 3 HA SER 3 30.254 -7.910 0.137
11 HB2 SER 3 1HB SER 3 27.585 -8.429 1.399
12 HB3 SER 3 2HB SER 3 27.936 -9.100 -0.193
13 HG SER 3 HG SER 3 28.697 -10.018 2.176
14 H GLY 4 H GLY 4 27.115 -6.224 0.391
15 HA2 GLY 4 1HA GLY 4 27.589 -4.565 -1.848
16 HA3 GLY 4 2HA GLY 4 26.644 -5.960 -2.347
17 H SER 5 H SER 5 25.086 -4.210 -2.886
18 HA SER 5 HA SER 5 23.850 -2.490 -1.172
19 HB2 SER 5 1HB SER 5 21.808 -2.758 -2.554
20 HB3 SER 5 2HB SER 5 23.265 -2.613 -3.536
21 HG SER 5 HG SER 5 22.281 -4.327 -4.402
22 H SER 6 H SER 6 22.439 -2.581 0.488
23 HA SER 6 HA SER 6 21.513 -5.253 1.320
24 HB2 SER 6 1HB SER 6 21.602 -4.391 3.656
25 HB3 SER 6 2HB SER 6 23.183 -4.422 2.875
26 HG SER 6 HG SER 6 22.258 -2.408 4.074
27 H GLY 7 H GLY 7 20.028 -3.658 -0.446
28 HA2 GLY 7 1HA GLY 7 18.144 -1.948 0.639
29 HA3 GLY 7 2HA GLY 7 17.850 -2.990 -0.745
30 H GLU 8 H GLU 8 16.170 -2.148 1.613
31 HA GLU 8 HA GLU 8 15.098 -4.798 2.154
32 HB2 GLU 8 1HB GLU 8 14.939 -4.364 4.585
33 HB3 GLU 8 2HB GLU 8 16.601 -4.491 4.027
34 HG2 GLU 8 1HG GLU 8 16.653 -1.982 3.939
35 HG3 GLU 8 2HG GLU 8 15.094 -1.999 4.760
36 H LYS 9 H LYS 9 12.968 -4.756 1.912
37 HA LYS 9 HA LYS 9 10.887 -3.920 1.457
38 HB2 LYS 9 1HB LYS 9 9.908 -2.635 3.321
39 HB3 LYS 9 2HB LYS 9 10.810 -4.036 3.884
40 HG2 LYS 9 1HG LYS 9 12.619 -2.688 4.613
41 HG3 LYS 9 2HG LYS 9 11.968 -1.263 3.800
42 HD2 LYS 9 1HD LYS 9 10.166 -1.102 5.336
43 HD3 LYS 9 2HD LYS 9 10.507 -2.698 6.007
44 HE2 LYS 9 1HE LYS 9 11.263 -0.908 7.497
45 HE3 LYS 9 2HE LYS 9 12.612 -1.884 6.917
46 HZ1 LYS 9 3HZ LYS 9 13.544 0.013 6.291
47 HZ2 LYS 9 1HZ LYS 9 12.135 0.902 6.588
48 HZ3 LYS 9 2HZ LYS 9 12.360 0.148 5.091
49 HA PRO 10 HA PRO 10 12.690 0.155 -0.144
50 HB2 PRO 10 1HB PRO 10 12.918 -0.580 -2.747
51 HB3 PRO 10 2HB PRO 10 14.218 -0.800 -1.569
52 HG2 PRO 10 1HG PRO 10 12.224 -2.789 -2.584
53 HG3 PRO 10 2HG PRO 10 13.964 -2.990 -2.307
54 HD2 PRO 10 1HD PRO 10 12.098 -3.879 -0.557
55 HD3 PRO 10 2HD PRO 10 13.695 -3.301 -0.039
56 H TYR 11 H TYR 11 10.140 -2.034 -0.940
57 HA TYR 11 HA TYR 11 8.694 0.040 -2.426
58 HB2 TYR 11 1HB TYR 11 7.920 -2.855 -2.040
59 HB3 TYR 11 2HB TYR 11 7.212 -1.710 -3.173
60 HD1 TYR 11 HD2 TYR 11 10.192 -3.746 -2.432
61 HD2 TYR 11 HD1 TYR 11 8.256 -1.242 -5.275
62 HE1 TYR 11 HE2 TYR 11 11.803 -4.459 -4.149
63 HE2 TYR 11 HE1 TYR 11 9.861 -1.949 -7.000
64 HH TYR 11 HH TYR 11 12.584 -3.053 -6.637
65 H GLY 12 H GLY 12 6.535 0.594 -1.869
66 HA2 GLY 12 1HA GLY 12 5.432 -0.338 0.639
67 HA3 GLY 12 2HA GLY 12 5.999 1.324 0.672
68 H CYS 13 H CYS 13 3.376 0.797 1.187
69 HA CYS 13 HA CYS 13 1.997 1.603 -1.289
70 HB2 CYS 13 1HB CYS 13 1.261 -0.554 -0.230
71 HB3 CYS 13 2HB CYS 13 0.745 0.375 1.173
72 H ASN 14 H ASN 14 1.467 3.674 -1.381
73 HA ASN 14 HA ASN 14 1.488 5.321 0.989
74 HB2 ASN 14 1HB ASN 14 2.443 6.205 -1.068
75 HB3 ASN 14 2HB ASN 14 0.908 5.989 -1.905
76 HD21 ASN 14 1HD2 ASN 14 2.736 7.939 0.259
77 HD22 ASN 14 2HD2 ASN 14 1.601 9.236 0.393
78 H GLU 15 H GLU 15 -0.889 3.981 -1.217
79 HA GLU 15 HA GLU 15 -3.138 5.428 -0.715
80 HB2 GLU 15 1HB GLU 15 -2.882 2.426 -0.930
81 HB3 GLU 15 2HB GLU 15 -4.415 3.285 -0.981
82 HG2 GLU 15 1HG GLU 15 -3.982 4.213 -3.046
83 HG3 GLU 15 2HG GLU 15 -2.238 4.022 -2.882
84 H CYS 16 H CYS 16 -1.998 2.691 1.262
85 HA CYS 16 HA CYS 16 -3.726 3.653 3.443
86 HB2 CYS 16 1HB CYS 16 -3.674 1.393 4.334
87 HB3 CYS 16 2HB CYS 16 -4.191 1.353 2.651
88 H GLY 17 H GLY 17 -0.499 2.371 2.717
89 HA2 GLY 17 1HA GLY 17 1.386 3.601 3.721
90 HA3 GLY 17 2HA GLY 17 0.447 3.652 5.207
91 H LYS 18 H LYS 18 0.918 0.911 3.020
92 HA LYS 18 HA LYS 18 1.956 -0.624 5.289
93 HB2 LYS 18 1HB LYS 18 -0.008 -1.445 3.911
94 HB3 LYS 18 2HB LYS 18 1.125 -1.683 2.587
95 HG2 LYS 18 1HG LYS 18 2.192 -3.436 3.637
96 HG3 LYS 18 2HG LYS 18 1.668 -2.930 5.244
97 HD2 LYS 18 1HD LYS 18 -0.723 -3.421 4.246
98 HD3 LYS 18 2HD LYS 18 0.196 -4.459 3.152
99 HE2 LYS 18 1HE LYS 18 0.272 -4.574 6.166
100 HE3 LYS 18 2HE LYS 18 -0.616 -5.681 5.121
101 HZ1 LYS 18 3HZ LYS 18 2.269 -5.333 4.700
102 HZ2 LYS 18 1HZ LYS 18 1.295 -6.685 4.405
103 HZ3 LYS 18 2HZ LYS 18 1.743 -6.295 5.988
104 H ASP 19 H ASP 19 3.637 -2.316 4.696
105 HA ASP 19 HA ASP 19 5.525 -1.340 2.675
106 HB2 ASP 19 1HB ASP 19 7.291 -2.051 4.559
107 HB3 ASP 19 2HB ASP 19 6.665 -0.411 4.421
108 H PHE 20 H PHE 20 6.325 -2.924 1.454
109 HA PHE 20 HA PHE 20 6.168 -5.683 2.475
110 HB2 PHE 20 1HB PHE 20 5.833 -4.901 -0.421
111 HB3 PHE 20 2HB PHE 20 5.531 -6.473 0.311
112 HD1 PHE 20 HD2 PHE 20 4.333 -2.977 0.166
113 HD2 PHE 20 HD1 PHE 20 3.437 -7.001 1.225
114 HE1 PHE 20 HE2 PHE 20 1.975 -2.360 0.504
115 HE2 PHE 20 HE1 PHE 20 1.078 -6.391 1.564
116 HZ PHE 20 HZ PHE 20 0.344 -4.067 1.205
117 H SER 21 H SER 21 7.787 -7.137 1.774
118 HA SER 21 HA SER 21 10.315 -5.812 1.175
119 HB2 SER 21 1HB SER 21 10.040 -8.752 1.725
120 HB3 SER 21 2HB SER 21 11.390 -7.675 2.086
121 HG SER 21 HG SER 21 8.868 -7.769 3.381
122 H SER 22 H SER 22 8.170 -6.303 -0.850
123 HA SER 22 HA SER 22 9.867 -7.103 -2.988
124 HB2 SER 22 1HB SER 22 7.938 -9.084 -1.866
125 HB3 SER 22 2HB SER 22 8.119 -9.006 -3.618
126 HG SER 22 HG SER 22 10.128 -9.514 -1.685
127 H LYS 23 H LYS 23 9.008 -6.601 -5.006
128 HA LYS 23 HA LYS 23 7.025 -4.594 -5.047
129 HB2 LYS 23 1HB LYS 23 8.832 -4.698 -6.699
130 HB3 LYS 23 2HB LYS 23 8.182 -6.206 -7.330
131 HG2 LYS 23 1HG LYS 23 7.499 -4.522 -8.822
132 HG3 LYS 23 2HG LYS 23 6.072 -4.929 -7.866
133 HD2 LYS 23 1HD LYS 23 6.231 -2.959 -6.594
134 HD3 LYS 23 2HD LYS 23 7.892 -2.659 -7.112
135 HE2 LYS 23 1HE LYS 23 6.970 -2.396 -9.454
136 HE3 LYS 23 2HE LYS 23 5.365 -2.387 -8.724
137 HZ1 LYS 23 3HZ LYS 23 7.454 -0.530 -7.783
138 HZ2 LYS 23 1HZ LYS 23 5.773 -0.391 -7.655
139 HZ3 LYS 23 2HZ LYS 23 6.529 -0.161 -9.150
140 H SER 24 H SER 24 6.925 -8.046 -5.585
141 HA SER 24 HA SER 24 4.404 -8.181 -6.845
142 HB2 SER 24 1HB SER 24 6.288 -10.001 -6.485
143 HB3 SER 24 2HB SER 24 5.334 -10.390 -5.054
144 HG SER 24 HG SER 24 4.868 -11.382 -7.300
145 H TYR 25 H TYR 25 5.240 -9.000 -3.472
146 HA TYR 25 HA TYR 25 2.771 -9.374 -2.415
147 HB2 TYR 25 1HB TYR 25 5.220 -8.085 -1.243
148 HB3 TYR 25 2HB TYR 25 3.753 -8.268 -0.288
149 HD1 TYR 25 HD1 TYR 25 2.779 -10.900 -1.129
150 HD2 TYR 25 HD2 TYR 25 6.749 -9.587 -0.344
151 HE1 TYR 25 HE1 TYR 25 3.425 -13.207 -0.572
152 HE2 TYR 25 HE2 TYR 25 7.407 -11.891 0.214
153 HH TYR 25 HH TYR 25 5.126 -14.389 0.687
154 H LEU 26 H LEU 26 4.286 -6.280 -3.149
155 HA LEU 26 HA LEU 26 2.271 -4.673 -1.946
156 HB2 LEU 26 1HB LEU 26 4.408 -3.707 -2.277
157 HB3 LEU 26 2HB LEU 26 4.400 -4.112 -3.992
158 HG LEU 26 HG LEU 26 2.662 -2.438 -4.384
159 HD11 LEU 26 1HD1 LEU 26 1.509 -2.505 -2.269
160 HD12 LEU 26 2HD1 LEU 26 2.073 -0.862 -2.576
161 HD13 LEU 26 3HD1 LEU 26 2.936 -1.891 -1.432
162 HD21 LEU 26 3HD2 LEU 26 5.218 -1.634 -3.051
163 HD22 LEU 26 1HD2 LEU 26 4.074 -0.412 -3.608
164 HD23 LEU 26 2HD2 LEU 26 4.771 -1.555 -4.756
165 H ILE 27 H ILE 27 3.040 -5.155 -5.399
166 HA ILE 27 HA ILE 27 0.899 -3.947 -6.556
167 HB ILE 27 HB ILE 27 2.173 -6.549 -7.405
168 HG12 ILE 27 1HG1 ILE 27 2.619 -3.759 -8.473
169 HG13 ILE 27 2HG1 ILE 27 3.616 -4.477 -7.213
170 HG21 ILE 27 1HG2 ILE 27 0.550 -4.683 -9.120
171 HG22 ILE 27 2HG2 ILE 27 1.193 -6.266 -9.552
172 HG23 ILE 27 3HG2 ILE 27 -0.108 -6.137 -8.369
173 HD11 ILE 27 3HD1 ILE 27 4.610 -4.628 -9.460
174 HD12 ILE 27 1HD1 ILE 27 4.348 -6.203 -8.712
175 HD13 ILE 27 2HD1 ILE 27 3.249 -5.629 -9.966
176 H VAL 28 H VAL 28 0.969 -7.202 -5.169
177 HA VAL 28 HA VAL 28 -1.646 -7.945 -5.940
178 HB VAL 28 HB VAL 28 -0.001 -8.928 -3.604
179 HG11 VAL 28 1HG1 VAL 28 -2.610 -9.320 -3.779
180 HG12 VAL 28 2HG1 VAL 28 -2.102 -10.579 -4.906
181 HG13 VAL 28 3HG1 VAL 28 -1.517 -10.596 -3.242
182 HG21 VAL 28 3HG2 VAL 28 0.822 -9.128 -6.081
183 HG22 VAL 28 1HG2 VAL 28 0.941 -10.507 -4.989
184 HG23 VAL 28 2HG2 VAL 28 -0.373 -10.422 -6.162
185 H HIS 29 H HIS 29 -0.358 -6.323 -3.086
186 HA HIS 29 HA HIS 29 -2.792 -6.352 -1.614
187 HB2 HIS 29 1HB HIS 29 -0.817 -6.061 -0.346
188 HB3 HIS 29 2HB HIS 29 -0.249 -4.754 -1.380
189 HD1 HIS 29 HD1 HIS 29 -2.686 -5.476 1.384
190 HD2 HIS 29 HD2 HIS 29 -1.187 -2.226 -0.726
191 HE1 HIS 29 HE1 HIS 29 -3.478 -3.441 2.632
192 H GLN 30 H GLN 30 -1.112 -3.706 -3.321
193 HA GLN 30 HA GLN 30 -2.821 -1.650 -3.058
194 HB2 GLN 30 1HB GLN 30 -1.301 -2.584 -5.473
195 HB3 GLN 30 2HB GLN 30 -2.298 -1.138 -5.549
196 HG2 GLN 30 1HG GLN 30 -0.931 -0.520 -3.373
197 HG3 GLN 30 2HG GLN 30 0.239 -1.624 -4.096
198 HE21 GLN 30 1HE2 GLN 30 1.540 0.361 -4.151
199 HE22 GLN 30 2HE2 GLN 30 1.380 1.411 -5.514
200 H ARG 31 H ARG 31 -3.470 -4.598 -4.758
201 HA ARG 31 HA ARG 31 -5.573 -3.813 -6.413
202 HB2 ARG 31 1HB ARG 31 -5.221 -6.441 -4.958
203 HB3 ARG 31 2HB ARG 31 -6.291 -6.167 -6.326
204 HG2 ARG 31 1HG ARG 31 -4.282 -5.554 -7.675
205 HG3 ARG 31 2HG ARG 31 -3.286 -6.064 -6.311
206 HD2 ARG 31 1HD ARG 31 -3.359 -7.934 -7.717
207 HD3 ARG 31 2HD ARG 31 -4.537 -8.283 -6.452
208 HE ARG 31 HE ARG 31 -6.218 -8.171 -8.017
209 HH11 ARG 31 1HH1 ARG 31 -3.257 -6.949 -9.380
210 HH12 ARG 31 2HH1 ARG 31 -3.874 -6.887 -10.997
211 HH21 ARG 31 1HH2 ARG 31 -7.042 -8.093 -10.143
212 HH22 ARG 31 2HH2 ARG 31 -6.027 -7.537 -11.430
213 H ILE 32 H ILE 32 -5.634 -4.927 -3.040
214 HA ILE 32 HA ILE 32 -8.311 -5.057 -2.540
215 HB ILE 32 HB ILE 32 -7.877 -4.662 -0.251
216 HG12 ILE 32 1HG1 ILE 32 -5.222 -3.398 -0.927
217 HG13 ILE 32 2HG1 ILE 32 -6.691 -2.449 -0.724
218 HG21 ILE 32 1HG2 ILE 32 -5.220 -5.619 -0.460
219 HG22 ILE 32 2HG2 ILE 32 -6.696 -6.536 -0.161
220 HG23 ILE 32 3HG2 ILE 32 -6.138 -6.278 -1.814
221 HD11 ILE 32 3HD1 ILE 32 -5.832 -4.335 1.420
222 HD12 ILE 32 1HD1 ILE 32 -5.061 -2.757 1.263
223 HD13 ILE 32 2HD1 ILE 32 -6.800 -2.866 1.536
224 H HIS 33 H HIS 33 -6.484 -2.248 -3.321
225 HA HIS 33 HA HIS 33 -8.475 -0.394 -2.318
226 HB2 HIS 33 1HB HIS 33 -5.915 -0.009 -3.874
227 HB3 HIS 33 2HB HIS 33 -6.986 1.319 -3.436
228 HD1 HIS 33 HD1 HIS 33 -7.569 1.057 -0.605
229 HD2 HIS 33 HD2 HIS 33 -3.877 -0.100 -2.121
230 HE1 HIS 33 HE1 HIS 33 -5.997 1.087 1.357
231 H THR 34 H THR 34 -6.965 -0.600 -5.534
232 HA THR 34 HA THR 34 -8.840 0.706 -7.002
233 HB THR 34 HB THR 34 -6.973 0.083 -8.231
234 HG1 THR 34 HG1 THR 34 -8.736 -0.231 -9.575
235 HG21 THR 34 3HG2 THR 34 -5.752 -1.701 -7.698
236 HG22 THR 34 1HG2 THR 34 -7.019 -2.774 -8.291
237 HG23 THR 34 2HG2 THR 34 -7.033 -2.236 -6.611
238 H GLY 35 H GLY 35 -10.391 -0.252 -8.650
239 HA2 GLY 35 1HA GLY 35 -12.071 -1.797 -9.227
240 HA3 GLY 35 2HA GLY 35 -11.768 -2.654 -7.723
241 H GLU 36 H GLU 36 -12.241 0.808 -7.856
242 HA GLU 36 HA GLU 36 -14.831 0.437 -6.500
243 HB2 GLU 36 1HB GLU 36 -13.080 1.360 -5.033
244 HB3 GLU 36 2HB GLU 36 -12.844 2.690 -6.159
245 HG2 GLU 36 1HG GLU 36 -14.960 3.604 -5.683
246 HG3 GLU 36 2HG GLU 36 -15.488 2.143 -4.850
247 H LYS 37 H LYS 37 -15.834 0.443 -8.612
248 HA LYS 37 HA LYS 37 -15.639 2.572 -10.435
249 HB2 LYS 37 1HB LYS 37 -16.779 0.185 -10.589
250 HB3 LYS 37 2HB LYS 37 -18.214 1.092 -10.128
251 HG2 LYS 37 1HG LYS 37 -18.263 2.279 -12.093
252 HG3 LYS 37 2HG LYS 37 -16.534 2.075 -12.385
253 HD2 LYS 37 1HD LYS 37 -18.438 -0.248 -12.445
254 HD3 LYS 37 2HD LYS 37 -18.150 0.756 -13.867
255 HE2 LYS 37 1HE LYS 37 -16.004 0.011 -14.126
256 HE3 LYS 37 2HE LYS 37 -15.790 -0.303 -12.404
257 HZ1 LYS 37 3HZ LYS 37 -17.704 -2.074 -13.095
258 HZ2 LYS 37 1HZ LYS 37 -16.053 -2.427 -12.986
259 HZ3 LYS 37 2HZ LYS 37 -16.740 -2.052 -14.485
260 H LEU 38 H LEU 38 -17.325 4.159 -10.950
261 HA LEU 38 HA LEU 38 -18.122 5.584 -8.576
262 HB2 LEU 38 1HB LEU 38 -18.800 7.340 -10.069
263 HB3 LEU 38 2HB LEU 38 -17.220 6.732 -10.558
264 HG LEU 38 HG LEU 38 -18.724 5.273 -12.199
265 HD11 LEU 38 1HD1 LEU 38 -20.307 7.787 -12.271
266 HD12 LEU 38 2HD1 LEU 38 -20.740 6.555 -11.087
267 HD13 LEU 38 3HD1 LEU 38 -20.736 6.162 -12.806
268 HD21 LEU 38 3HD2 LEU 38 -17.598 6.458 -13.702
269 HD22 LEU 38 1HD2 LEU 38 -17.086 7.525 -12.395
270 HD23 LEU 38 2HD2 LEU 38 -18.527 7.912 -13.335
271 H SER 39 H SER 39 -19.753 3.951 -11.262
272 HA SER 39 HA SER 39 -22.371 4.588 -10.802
273 HB2 SER 39 1HB SER 39 -21.334 3.013 -12.575
274 HB3 SER 39 2HB SER 39 -21.593 1.739 -11.384
275 HG SER 39 HG SER 39 -23.416 1.800 -12.613
276 H GLY 40 H GLY 40 -23.340 4.701 -8.877
277 HA2 GLY 40 1HA GLY 40 -23.715 2.286 -7.346
278 HA3 GLY 40 2HA GLY 40 -22.742 3.494 -6.521
279 HA PRO 41 HA PRO 41 -27.413 4.214 -6.008
280 HB2 PRO 41 1HB PRO 41 -27.640 3.416 -3.423
281 HB3 PRO 41 2HB PRO 41 -27.875 2.321 -4.791
282 HG2 PRO 41 1HG PRO 41 -25.465 2.692 -3.054
283 HG3 PRO 41 2HG PRO 41 -26.194 1.190 -3.649
284 HD2 PRO 41 1HD PRO 41 -24.002 2.297 -4.789
285 HD3 PRO 41 2HD PRO 41 -25.205 1.383 -5.722
286 H SER 42 H SER 42 -24.475 4.951 -4.367
287 HA SER 42 HA SER 42 -25.718 7.291 -3.084
288 HB2 SER 42 1HB SER 42 -24.498 5.704 -1.588
289 HB3 SER 42 2HB SER 42 -23.019 6.058 -2.481
290 HG SER 42 HG SER 42 -23.719 7.323 -0.432
291 H SER 43 H SER 43 -25.268 7.400 -5.819
292 HA SER 43 HA SER 43 -22.982 8.251 -6.920
293 HB2 SER 43 1HB SER 43 -24.909 8.332 -8.283
294 HB3 SER 43 2HB SER 43 -25.741 9.436 -7.188
295 HG SER 43 HG SER 43 -25.018 10.873 -8.557
296 H GLY 44 H GLY 44 -25.128 10.462 -5.113
297 HA2 GLY 44 1HA GLY 44 -22.865 12.319 -4.841
298 HA3 GLY 44 2HA GLY 44 -24.559 12.731 -4.618
Start of MODEL 2
1 H1 GLY 1 H GLY 1 22.232 11.226 3.611
2 HA2 GLY 1 1HA GLY 1 20.933 13.370 2.045
3 HA3 GLY 1 2HA GLY 1 22.642 12.990 1.899
4 H SER 2 H SER 2 19.421 11.540 1.526
5 HA SER 2 HA SER 2 18.777 9.700 0.279
6 HB2 SER 2 1HB SER 2 18.810 10.217 -2.073
7 HB3 SER 2 2HB SER 2 18.614 11.732 -1.192
8 HG SER 2 HG SER 2 21.156 11.514 -1.401
9 H SER 3 H SER 3 21.093 9.009 1.603
10 HA SER 3 HA SER 3 22.471 7.373 -0.422
11 HB2 SER 3 1HB SER 3 24.553 7.592 0.844
12 HB3 SER 3 2HB SER 3 23.954 9.183 0.375
13 HG SER 3 HG SER 3 22.872 8.894 2.638
14 H GLY 4 H GLY 4 20.208 6.515 0.949
15 HA2 GLY 4 1HA GLY 4 21.070 4.916 3.215
16 HA3 GLY 4 2HA GLY 4 19.444 5.002 2.555
17 H SER 5 H SER 5 19.933 2.586 3.128
18 HA SER 5 HA SER 5 21.462 1.135 1.180
19 HB2 SER 5 1HB SER 5 19.641 0.343 3.440
20 HB3 SER 5 2HB SER 5 20.241 -0.859 2.297
21 HG SER 5 HG SER 5 21.604 -0.656 4.125
22 H SER 6 H SER 6 20.679 -0.260 -0.424
23 HA SER 6 HA SER 6 18.030 0.488 -1.442
24 HB2 SER 6 1HB SER 6 20.104 0.782 -2.878
25 HB3 SER 6 2HB SER 6 20.202 -0.977 -2.947
26 HG SER 6 HG SER 6 18.638 0.688 -4.364
27 H GLY 7 H GLY 7 18.097 -1.316 0.696
28 HA2 GLY 7 1HA GLY 7 16.671 -3.523 -0.481
29 HA3 GLY 7 2HA GLY 7 18.196 -3.999 0.249
30 H GLU 8 H GLU 8 16.007 -1.473 1.387
31 HA GLU 8 HA GLU 8 15.296 -3.163 3.680
32 HB2 GLU 8 1HB GLU 8 16.614 -0.478 3.717
33 HB3 GLU 8 2HB GLU 8 15.496 -0.901 5.007
34 HG2 GLU 8 1HG GLU 8 17.953 -2.459 4.236
35 HG3 GLU 8 2HG GLU 8 17.813 -1.366 5.612
36 H LYS 9 H LYS 9 13.279 -3.379 2.537
37 HA LYS 9 HA LYS 9 11.089 -2.889 2.168
38 HB2 LYS 9 1HB LYS 9 11.696 -0.803 4.265
39 HB3 LYS 9 2HB LYS 9 10.080 -1.106 3.641
40 HG2 LYS 9 1HG LYS 9 10.412 -3.515 4.374
41 HG3 LYS 9 2HG LYS 9 11.822 -2.933 5.262
42 HD2 LYS 9 1HD LYS 9 9.214 -1.533 5.619
43 HD3 LYS 9 2HD LYS 9 9.463 -3.088 6.415
44 HE2 LYS 9 1HE LYS 9 10.248 -1.698 8.044
45 HE3 LYS 9 2HE LYS 9 11.737 -1.952 7.135
46 HZ1 LYS 9 3HZ LYS 9 11.597 0.344 7.470
47 HZ2 LYS 9 1HZ LYS 9 9.949 0.404 7.093
48 HZ3 LYS 9 2HZ LYS 9 11.086 0.127 5.872
49 HA PRO 10 HA PRO 10 12.498 0.731 -0.526
50 HB2 PRO 10 1HB PRO 10 12.669 -0.650 -2.857
51 HB3 PRO 10 2HB PRO 10 14.029 -0.475 -1.742
52 HG2 PRO 10 1HG PRO 10 12.143 -2.774 -2.084
53 HG3 PRO 10 2HG PRO 10 13.903 -2.794 -1.868
54 HD2 PRO 10 1HD PRO 10 12.180 -3.297 0.160
55 HD3 PRO 10 2HD PRO 10 13.752 -2.511 0.415
56 H TYR 11 H TYR 11 10.160 -1.856 -0.801
57 HA TYR 11 HA TYR 11 8.456 -0.197 -2.518
58 HB2 TYR 11 1HB TYR 11 7.908 -3.045 -1.700
59 HB3 TYR 11 2HB TYR 11 7.255 -2.161 -3.075
60 HD1 TYR 11 HD1 TYR 11 8.605 -1.810 -5.085
61 HD2 TYR 11 HD2 TYR 11 10.099 -4.056 -1.794
62 HE1 TYR 11 HE1 TYR 11 10.386 -2.714 -6.519
63 HE2 TYR 11 HE2 TYR 11 11.886 -4.966 -3.219
64 HH TYR 11 HH TYR 11 13.090 -4.058 -5.467
65 H GLY 12 H GLY 12 6.606 0.699 -1.808
66 HA2 GLY 12 1HA GLY 12 5.368 -0.237 0.656
67 HA3 GLY 12 2HA GLY 12 6.020 1.395 0.696
68 H CYS 13 H CYS 13 3.357 0.973 1.166
69 HA CYS 13 HA CYS 13 2.059 1.852 -1.327
70 HB2 CYS 13 1HB CYS 13 1.179 -0.250 -0.308
71 HB3 CYS 13 2HB CYS 13 0.744 0.671 1.127
72 H ASN 14 H ASN 14 0.834 3.706 -1.350
73 HA ASN 14 HA ASN 14 1.209 5.481 0.958
74 HB2 ASN 14 1HB ASN 14 2.097 6.377 -1.103
75 HB3 ASN 14 2HB ASN 14 0.576 6.080 -1.938
76 HD21 ASN 14 1HD2 ASN 14 2.110 7.966 0.594
77 HD22 ASN 14 2HD2 ASN 14 1.006 9.293 0.531
78 H GLU 15 H GLU 15 -1.208 3.954 -1.028
79 HA GLU 15 HA GLU 15 -3.456 5.465 -0.451
80 HB2 GLU 15 1HB GLU 15 -3.247 2.467 -0.781
81 HB3 GLU 15 2HB GLU 15 -4.748 3.380 -0.832
82 HG2 GLU 15 1HG GLU 15 -2.560 4.166 -2.679
83 HG3 GLU 15 2HG GLU 15 -3.469 2.696 -3.025
84 H CYS 16 H CYS 16 -2.246 2.623 1.328
85 HA CYS 16 HA CYS 16 -3.932 3.415 3.603
86 HB2 CYS 16 1HB CYS 16 -3.714 1.133 4.396
87 HB3 CYS 16 2HB CYS 16 -4.246 1.117 2.718
88 H GLY 17 H GLY 17 -0.643 2.372 2.766
89 HA2 GLY 17 1HA GLY 17 1.204 3.639 3.750
90 HA3 GLY 17 2HA GLY 17 0.281 3.686 5.245
91 H LYS 18 H LYS 18 0.636 0.855 3.191
92 HA LYS 18 HA LYS 18 1.894 -0.538 5.438
93 HB2 LYS 18 1HB LYS 18 -0.202 -1.360 4.110
94 HB3 LYS 18 2HB LYS 18 0.981 -1.887 2.920
95 HG2 LYS 18 1HG LYS 18 2.037 -3.326 4.522
96 HG3 LYS 18 2HG LYS 18 1.011 -2.704 5.817
97 HD2 LYS 18 1HD LYS 18 -0.295 -3.884 3.416
98 HD3 LYS 18 2HD LYS 18 0.455 -4.974 4.585
99 HE2 LYS 18 1HE LYS 18 -1.853 -4.710 5.170
100 HE3 LYS 18 2HE LYS 18 -0.876 -3.869 6.373
101 HZ1 LYS 18 3HZ LYS 18 -1.597 -1.842 5.678
102 HZ2 LYS 18 1HZ LYS 18 -2.968 -2.751 5.282
103 HZ3 LYS 18 2HZ LYS 18 -1.853 -2.335 4.080
104 H ASP 19 H ASP 19 3.626 -2.099 4.959
105 HA ASP 19 HA ASP 19 5.353 -1.163 2.761
106 HB2 ASP 19 1HB ASP 19 6.554 -2.383 5.204
107 HB3 ASP 19 2HB ASP 19 7.212 -1.161 4.120
108 H PHE 20 H PHE 20 6.460 -2.685 1.575
109 HA PHE 20 HA PHE 20 6.068 -5.507 2.267
110 HB2 PHE 20 1HB PHE 20 5.610 -4.431 -0.520
111 HB3 PHE 20 2HB PHE 20 5.350 -6.079 0.044
112 HD1 PHE 20 HD2 PHE 20 4.177 -2.589 0.523
113 HD2 PHE 20 HD1 PHE 20 3.269 -6.735 0.838
114 HE1 PHE 20 HE2 PHE 20 1.840 -2.033 1.052
115 HE2 PHE 20 HE1 PHE 20 0.930 -6.186 1.367
116 HZ PHE 20 HZ PHE 20 0.213 -3.832 1.475
117 H SER 21 H SER 21 7.896 -6.626 2.126
118 HA SER 21 HA SER 21 10.328 -5.430 1.340
119 HB2 SER 21 1HB SER 21 10.225 -7.220 3.017
120 HB3 SER 21 2HB SER 21 9.689 -8.358 1.781
121 HG SER 21 HG SER 21 11.826 -7.412 0.766
122 H SER 22 H SER 22 8.096 -7.600 -0.296
123 HA SER 22 HA SER 22 9.846 -7.684 -2.643
124 HB2 SER 22 1HB SER 22 9.012 -9.843 -2.014
125 HB3 SER 22 2HB SER 22 7.358 -9.238 -1.910
126 HG SER 22 HG SER 22 8.781 -9.060 -4.330
127 H LYS 23 H LYS 23 9.022 -7.187 -4.745
128 HA LYS 23 HA LYS 23 7.337 -4.855 -4.743
129 HB2 LYS 23 1HB LYS 23 9.351 -5.090 -6.196
130 HB3 LYS 23 2HB LYS 23 8.512 -6.348 -7.095
131 HG2 LYS 23 1HG LYS 23 6.698 -4.576 -7.491
132 HG3 LYS 23 2HG LYS 23 7.924 -3.415 -6.975
133 HD2 LYS 23 1HD LYS 23 9.404 -4.125 -8.742
134 HD3 LYS 23 2HD LYS 23 8.292 -5.415 -9.204
135 HE2 LYS 23 1HE LYS 23 7.707 -3.841 -10.748
136 HE3 LYS 23 2HE LYS 23 6.611 -3.388 -9.444
137 HZ1 LYS 23 3HZ LYS 23 9.251 -2.150 -9.442
138 HZ2 LYS 23 1HZ LYS 23 7.749 -1.497 -9.020
139 HZ3 LYS 23 2HZ LYS 23 8.178 -1.648 -10.649
140 H SER 24 H SER 24 6.976 -8.234 -5.433
141 HA SER 24 HA SER 24 4.567 -7.983 -6.962
142 HB2 SER 24 1HB SER 24 4.532 -10.331 -7.026
143 HB3 SER 24 2HB SER 24 6.251 -9.949 -6.941
144 HG SER 24 HG SER 24 5.422 -11.620 -5.456
145 H TYR 25 H TYR 25 5.308 -8.906 -3.612
146 HA TYR 25 HA TYR 25 2.760 -9.479 -2.717
147 HB2 TYR 25 1HB TYR 25 5.256 -8.505 -1.430
148 HB3 TYR 25 2HB TYR 25 3.770 -8.367 -0.497
149 HD1 TYR 25 HD1 TYR 25 2.318 -10.793 -1.283
150 HD2 TYR 25 HD2 TYR 25 6.451 -10.237 -0.441
151 HE1 TYR 25 HE1 TYR 25 2.499 -13.160 -0.639
152 HE2 TYR 25 HE2 TYR 25 6.644 -12.603 0.204
153 HH TYR 25 HH TYR 25 3.880 -14.625 0.622
154 H LEU 26 H LEU 26 4.267 -6.366 -3.270
155 HA LEU 26 HA LEU 26 2.247 -4.830 -1.958
156 HB2 LEU 26 1HB LEU 26 4.312 -3.766 -2.133
157 HB3 LEU 26 2HB LEU 26 4.495 -4.199 -3.831
158 HG LEU 26 HG LEU 26 2.525 -2.595 -4.239
159 HD11 LEU 26 1HD1 LEU 26 1.838 -2.353 -1.917
160 HD12 LEU 26 2HD1 LEU 26 2.315 -0.798 -2.596
161 HD13 LEU 26 3HD1 LEU 26 3.408 -1.659 -1.512
162 HD21 LEU 26 3HD2 LEU 26 5.338 -1.872 -3.549
163 HD22 LEU 26 1HD2 LEU 26 4.187 -0.602 -3.965
164 HD23 LEU 26 2HD2 LEU 26 4.533 -1.890 -5.119
165 H ILE 27 H ILE 27 3.042 -5.309 -5.403
166 HA ILE 27 HA ILE 27 0.949 -3.938 -6.541
167 HB ILE 27 HB ILE 27 2.174 -6.521 -7.517
168 HG12 ILE 27 1HG1 ILE 27 2.792 -3.704 -8.405
169 HG13 ILE 27 2HG1 ILE 27 3.682 -4.505 -7.114
170 HG21 ILE 27 1HG2 ILE 27 1.234 -6.131 -9.624
171 HG22 ILE 27 2HG2 ILE 27 -0.081 -5.817 -8.493
172 HG23 ILE 27 3HG2 ILE 27 0.796 -4.472 -9.220
173 HD11 ILE 27 3HD1 ILE 27 3.444 -5.994 -9.644
174 HD12 ILE 27 1HD1 ILE 27 4.438 -4.538 -9.677
175 HD13 ILE 27 2HD1 ILE 27 4.808 -5.834 -8.538
176 H VAL 28 H VAL 28 0.942 -7.154 -5.127
177 HA VAL 28 HA VAL 28 -1.667 -7.867 -6.041
178 HB VAL 28 HB VAL 28 -0.036 -8.990 -3.760
179 HG11 VAL 28 1HG1 VAL 28 -2.283 -10.410 -5.139
180 HG12 VAL 28 2HG1 VAL 28 -1.550 -10.743 -3.568
181 HG13 VAL 28 3HG1 VAL 28 -2.595 -9.336 -3.775
182 HG21 VAL 28 3HG2 VAL 28 1.064 -10.254 -5.243
183 HG22 VAL 28 1HG2 VAL 28 -0.403 -10.612 -6.155
184 HG23 VAL 28 2HG2 VAL 28 0.480 -9.115 -6.456
185 H HIS 29 H HIS 29 -0.378 -6.358 -3.134
186 HA HIS 29 HA HIS 29 -2.821 -6.443 -1.666
187 HB2 HIS 29 1HB HIS 29 -0.989 -6.199 -0.271
188 HB3 HIS 29 2HB HIS 29 -0.191 -5.054 -1.344
189 HD1 HIS 29 HD1 HIS 29 -2.986 -5.225 1.189
190 HD2 HIS 29 HD2 HIS 29 -0.649 -2.407 -0.775
191 HE1 HIS 29 HE1 HIS 29 -3.508 -3.028 2.297
192 H GLN 30 H GLN 30 -1.105 -3.768 -3.288
193 HA GLN 30 HA GLN 30 -2.789 -1.695 -2.926
194 HB2 GLN 30 1HB GLN 30 -1.340 -2.526 -5.433
195 HB3 GLN 30 2HB GLN 30 -2.220 -1.007 -5.322
196 HG2 GLN 30 1HG GLN 30 -0.807 -0.410 -3.363
197 HG3 GLN 30 2HG GLN 30 0.141 -1.864 -3.669
198 HE21 GLN 30 1HE2 GLN 30 0.833 1.019 -3.750
199 HE22 GLN 30 2HE2 GLN 30 1.519 1.275 -5.314
200 H ARG 31 H ARG 31 -3.476 -4.568 -4.720
201 HA ARG 31 HA ARG 31 -5.555 -3.684 -6.365
202 HB2 ARG 31 1HB ARG 31 -5.255 -6.377 -5.021
203 HB3 ARG 31 2HB ARG 31 -6.294 -6.026 -6.396
204 HG2 ARG 31 1HG ARG 31 -4.322 -5.473 -7.738
205 HG3 ARG 31 2HG ARG 31 -3.288 -5.852 -6.359
206 HD2 ARG 31 1HD ARG 31 -3.280 -7.773 -7.735
207 HD3 ARG 31 2HD ARG 31 -4.331 -8.152 -6.370
208 HE ARG 31 HE ARG 31 -5.114 -7.817 -9.141
209 HH11 ARG 31 1HH1 ARG 31 -6.123 -8.050 -5.818
210 HH12 ARG 31 2HH1 ARG 31 -7.749 -8.504 -6.207
211 HH21 ARG 31 1HH2 ARG 31 -7.252 -8.413 -9.667
212 HH22 ARG 31 2HH2 ARG 31 -8.390 -8.711 -8.397
213 H ILE 32 H ILE 32 -5.629 -4.900 -3.032
214 HA ILE 32 HA ILE 32 -8.307 -5.048 -2.540
215 HB ILE 32 HB ILE 32 -7.876 -4.726 -0.243
216 HG12 ILE 32 1HG1 ILE 32 -5.277 -3.349 -0.940
217 HG13 ILE 32 2HG1 ILE 32 -6.764 -2.489 -0.556
218 HG21 ILE 32 1HG2 ILE 32 -5.197 -5.634 -0.497
219 HG22 ILE 32 2HG2 ILE 32 -6.655 -6.575 -0.184
220 HG23 ILE 32 3HG2 ILE 32 -6.132 -6.284 -1.843
221 HD11 ILE 32 3HD1 ILE 32 -6.770 -3.614 1.654
222 HD12 ILE 32 1HD1 ILE 32 -5.196 -4.302 1.258
223 HD13 ILE 32 2HD1 ILE 32 -5.387 -2.553 1.390
224 H HIS 33 H HIS 33 -6.428 -2.187 -3.101
225 HA HIS 33 HA HIS 33 -8.435 -0.375 -2.095
226 HB2 HIS 33 1HB HIS 33 -5.882 0.055 -3.651
227 HB3 HIS 33 2HB HIS 33 -6.948 1.370 -3.164
228 HD1 HIS 33 HD1 HIS 33 -7.467 1.193 -0.374
229 HD2 HIS 33 HD2 HIS 33 -3.884 -0.275 -1.879
230 HE1 HIS 33 HE1 HIS 33 -5.897 1.110 1.589
231 H THR 34 H THR 34 -6.991 -0.766 -5.336
232 HA THR 34 HA THR 34 -8.986 0.644 -6.702
233 HB THR 34 HB THR 34 -6.976 0.333 -7.881
234 HG1 THR 34 HG1 THR 34 -8.538 -1.632 -9.171
235 HG21 THR 34 3HG2 THR 34 -5.673 -1.458 -7.630
236 HG22 THR 34 1HG2 THR 34 -6.905 -2.504 -8.335
237 HG23 THR 34 2HG2 THR 34 -6.917 -2.171 -6.603
238 H GLY 35 H GLY 35 -10.220 -0.543 -8.596
239 HA2 GLY 35 1HA GLY 35 -11.701 -2.217 -9.273
240 HA3 GLY 35 2HA GLY 35 -11.347 -3.097 -7.794
241 H GLU 36 H GLU 36 -12.271 0.275 -7.799
242 HA GLU 36 HA GLU 36 -14.750 -0.477 -6.413
243 HB2 GLU 36 1HB GLU 36 -13.048 2.006 -6.328
244 HB3 GLU 36 2HB GLU 36 -14.685 1.979 -5.687
245 HG2 GLU 36 1HG GLU 36 -14.130 0.484 -3.992
246 HG3 GLU 36 2HG GLU 36 -12.647 -0.024 -4.799
247 H LYS 37 H LYS 37 -15.736 -0.912 -8.519
248 HA LYS 37 HA LYS 37 -16.104 1.129 -10.450
249 HB2 LYS 37 1HB LYS 37 -17.889 -0.355 -11.337
250 HB3 LYS 37 2HB LYS 37 -16.361 -1.185 -11.079
251 HG2 LYS 37 1HG LYS 37 -17.435 -1.775 -8.760
252 HG3 LYS 37 2HG LYS 37 -18.941 -1.462 -9.626
253 HD2 LYS 37 1HD LYS 37 -16.834 -3.286 -10.744
254 HD3 LYS 37 2HD LYS 37 -18.046 -3.867 -9.600
255 HE2 LYS 37 1HE LYS 37 -19.780 -2.884 -11.177
256 HE3 LYS 37 2HE LYS 37 -18.471 -2.713 -12.346
257 HZ1 LYS 37 3HZ LYS 37 -18.099 -5.211 -11.801
258 HZ2 LYS 37 1HZ LYS 37 -19.314 -4.757 -12.887
259 HZ3 LYS 37 2HZ LYS 37 -19.712 -5.159 -11.293
260 H LEU 38 H LEU 38 -18.333 -0.211 -8.009
261 HA LEU 38 HA LEU 38 -19.794 2.347 -8.090
262 HB2 LEU 38 1HB LEU 38 -20.756 -0.460 -8.093
263 HB3 LEU 38 2HB LEU 38 -21.690 0.721 -7.177
264 HG LEU 38 HG LEU 38 -22.621 0.398 -9.401
265 HD11 LEU 38 1HD1 LEU 38 -21.421 3.084 -9.671
266 HD12 LEU 38 2HD1 LEU 38 -22.274 2.744 -8.165
267 HD13 LEU 38 3HD1 LEU 38 -23.112 2.582 -9.708
268 HD21 LEU 38 3HD2 LEU 38 -20.072 1.533 -10.524
269 HD22 LEU 38 1HD2 LEU 38 -21.440 0.841 -11.397
270 HD23 LEU 38 2HD2 LEU 38 -20.390 -0.201 -10.435
271 H SER 39 H SER 39 -19.526 -0.540 -6.007
272 HA SER 39 HA SER 39 -18.483 0.920 -3.803
273 HB2 SER 39 1HB SER 39 -21.022 1.534 -3.952
274 HB3 SER 39 2HB SER 39 -21.264 -0.074 -3.270
275 HG SER 39 HG SER 39 -20.818 0.794 -1.421
276 H GLY 40 H GLY 40 -17.635 -0.428 -2.275
277 HA2 GLY 40 1HA GLY 40 -16.801 -2.404 -1.450
278 HA3 GLY 40 2HA GLY 40 -18.466 -2.959 -1.553
279 HA PRO 41 HA PRO 41 -16.023 -5.744 -4.267
280 HB2 PRO 41 1HB PRO 41 -17.456 -7.962 -3.637
281 HB3 PRO 41 2HB PRO 41 -16.100 -7.386 -2.661
282 HG2 PRO 41 1HG PRO 41 -19.038 -7.009 -2.229
283 HG3 PRO 41 2HG PRO 41 -17.776 -7.410 -1.050
284 HD2 PRO 41 1HD PRO 41 -18.760 -4.904 -1.334
285 HD3 PRO 41 2HD PRO 41 -17.078 -5.221 -0.863
286 H SER 42 H SER 42 -16.940 -7.394 -5.897
287 HA SER 42 HA SER 42 -18.420 -6.189 -7.817
288 HB2 SER 42 1HB SER 42 -18.283 -9.128 -7.126
289 HB3 SER 42 2HB SER 42 -19.056 -8.522 -8.591
290 HG SER 42 HG SER 42 -16.447 -8.923 -8.102
291 H SER 43 H SER 43 -20.582 -6.170 -8.488
292 HA SER 43 HA SER 43 -22.643 -7.263 -6.784
293 HB2 SER 43 1HB SER 43 -23.736 -5.009 -6.470
294 HB3 SER 43 2HB SER 43 -22.252 -5.245 -5.548
295 HG SER 43 HG SER 43 -22.398 -3.929 -8.058
296 H GLY 44 H GLY 44 -23.733 -8.271 -8.364
297 HA2 GLY 44 1HA GLY 44 -25.583 -7.237 -9.977
298 HA3 GLY 44 2HA GLY 44 -24.135 -6.968 -10.937
Start of MODEL 3
1 H1 GLY 1 H GLY 1 26.538 5.772 -4.815
2 HA2 GLY 1 1HA GLY 1 24.400 7.296 -5.482
3 HA3 GLY 1 2HA GLY 1 24.569 6.238 -6.876
4 H SER 2 H SER 2 22.658 5.136 -6.562
5 HA SER 2 HA SER 2 21.980 3.962 -4.038
6 HB2 SER 2 1HB SER 2 20.835 3.656 -6.817
7 HB3 SER 2 2HB SER 2 20.192 2.800 -5.415
8 HG SER 2 HG SER 2 19.072 4.552 -5.131
9 H SER 3 H SER 3 22.516 2.026 -3.257
10 HA SER 3 HA SER 3 24.481 0.435 -4.520
11 HB2 SER 3 1HB SER 3 22.836 0.211 -2.039
12 HB3 SER 3 2HB SER 3 23.657 -1.235 -2.625
13 HG SER 3 HG SER 3 25.498 0.507 -2.765
14 H GLY 4 H GLY 4 24.345 -1.334 -5.782
15 HA2 GLY 4 1HA GLY 4 21.803 -1.984 -6.954
16 HA3 GLY 4 2HA GLY 4 23.352 -2.716 -7.346
17 H SER 5 H SER 5 20.883 -2.650 -4.788
18 HA SER 5 HA SER 5 21.077 -5.553 -4.591
19 HB2 SER 5 1HB SER 5 21.390 -3.729 -2.195
20 HB3 SER 5 2HB SER 5 21.244 -5.485 -2.129
21 HG SER 5 HG SER 5 23.439 -4.641 -2.068
22 H SER 6 H SER 6 19.361 -6.352 -2.948
23 HA SER 6 HA SER 6 16.841 -5.595 -3.880
24 HB2 SER 6 1HB SER 6 15.951 -6.962 -2.004
25 HB3 SER 6 2HB SER 6 17.231 -7.787 -2.893
26 HG SER 6 HG SER 6 17.669 -6.312 -0.511
27 H GLY 7 H GLY 7 18.658 -4.553 -1.049
28 HA2 GLY 7 1HA GLY 7 18.428 -2.492 0.037
29 HA3 GLY 7 2HA GLY 7 16.906 -2.243 -0.806
30 H GLU 8 H GLU 8 16.206 -1.499 1.345
31 HA GLU 8 HA GLU 8 15.321 -3.780 2.984
32 HB2 GLU 8 1HB GLU 8 15.428 -2.184 4.947
33 HB3 GLU 8 2HB GLU 8 16.976 -2.708 4.298
34 HG2 GLU 8 1HG GLU 8 15.788 -0.177 3.287
35 HG3 GLU 8 2HG GLU 8 16.524 -0.195 4.889
36 H LYS 9 H LYS 9 13.327 -3.826 1.904
37 HA LYS 9 HA LYS 9 11.129 -3.329 1.596
38 HB2 LYS 9 1HB LYS 9 11.683 -1.541 3.965
39 HB3 LYS 9 2HB LYS 9 10.079 -1.773 3.284
40 HG2 LYS 9 1HG LYS 9 9.960 -3.979 3.982
41 HG3 LYS 9 2HG LYS 9 11.711 -4.123 4.150
42 HD2 LYS 9 1HD LYS 9 11.394 -2.279 5.975
43 HD3 LYS 9 2HD LYS 9 9.723 -2.847 5.981
44 HE2 LYS 9 1HE LYS 9 10.685 -5.183 6.273
45 HE3 LYS 9 2HE LYS 9 12.223 -4.393 6.613
46 HZ1 LYS 9 3HZ LYS 9 11.547 -3.795 8.641
47 HZ2 LYS 9 1HZ LYS 9 10.334 -4.960 8.451
48 HZ3 LYS 9 2HZ LYS 9 10.006 -3.334 8.117
49 HA PRO 10 HA PRO 10 12.506 0.636 -0.573
50 HB2 PRO 10 1HB PRO 10 12.699 -0.415 -3.069
51 HB3 PRO 10 2HB PRO 10 14.053 -0.381 -1.934
52 HG2 PRO 10 1HG PRO 10 12.189 -2.630 -2.592
53 HG3 PRO 10 2HG PRO 10 13.948 -2.663 -2.372
54 HD2 PRO 10 1HD PRO 10 12.223 -3.450 -0.439
55 HD3 PRO 10 2HD PRO 10 13.787 -2.692 -0.073
56 H TYR 11 H TYR 11 10.031 -1.677 -0.696
57 HA TYR 11 HA TYR 11 8.390 0.036 -2.441
58 HB2 TYR 11 1HB TYR 11 7.883 -2.851 -1.705
59 HB3 TYR 11 2HB TYR 11 7.017 -1.896 -2.903
60 HD1 TYR 11 HD2 TYR 11 10.141 -3.677 -2.163
61 HD2 TYR 11 HD1 TYR 11 7.955 -1.495 -5.090
62 HE1 TYR 11 HE2 TYR 11 11.710 -4.441 -3.896
63 HE2 TYR 11 HE1 TYR 11 9.517 -2.255 -6.831
64 HH TYR 11 HH TYR 11 12.441 -3.993 -6.045
65 H GLY 12 H GLY 12 6.215 0.471 -1.828
66 HA2 GLY 12 1HA GLY 12 5.284 -0.269 0.800
67 HA3 GLY 12 2HA GLY 12 5.765 1.417 0.674
68 H CYS 13 H CYS 13 3.244 1.035 1.366
69 HA CYS 13 HA CYS 13 1.723 1.547 -1.106
70 HB2 CYS 13 1HB CYS 13 1.151 -0.618 0.054
71 HB3 CYS 13 2HB CYS 13 0.595 0.339 1.424
72 H ASN 14 H ASN 14 1.270 3.641 -1.221
73 HA ASN 14 HA ASN 14 1.174 5.314 1.112
74 HB2 ASN 14 1HB ASN 14 2.088 6.106 -1.053
75 HB3 ASN 14 2HB ASN 14 0.479 5.981 -1.757
76 HD21 ASN 14 1HD2 ASN 14 2.236 7.503 0.910
77 HD22 ASN 14 2HD2 ASN 14 1.320 8.968 0.907
78 H GLU 15 H GLU 15 -1.140 3.792 -1.025
79 HA GLU 15 HA GLU 15 -3.449 5.168 -0.613
80 HB2 GLU 15 1HB GLU 15 -3.183 2.157 -0.531
81 HB3 GLU 15 2HB GLU 15 -4.658 3.051 -0.870
82 HG2 GLU 15 1HG GLU 15 -2.180 3.272 -2.553
83 HG3 GLU 15 2HG GLU 15 -3.463 2.104 -2.863
84 H CYS 16 H CYS 16 -2.104 2.701 1.567
85 HA CYS 16 HA CYS 16 -3.874 3.736 3.684
86 HB2 CYS 16 1HB CYS 16 -3.823 1.528 4.704
87 HB3 CYS 16 2HB CYS 16 -4.373 1.402 3.037
88 H GLY 17 H GLY 17 -0.659 2.432 2.968
89 HA2 GLY 17 1HA GLY 17 1.208 3.766 3.919
90 HA3 GLY 17 2HA GLY 17 0.309 3.752 5.430
91 H LYS 18 H LYS 18 0.724 1.030 3.227
92 HA LYS 18 HA LYS 18 1.905 -0.494 5.422
93 HB2 LYS 18 1HB LYS 18 -0.040 -1.381 4.093
94 HB3 LYS 18 2HB LYS 18 1.037 -1.493 2.706
95 HG2 LYS 18 1HG LYS 18 2.172 -3.278 3.552
96 HG3 LYS 18 2HG LYS 18 1.876 -2.814 5.229
97 HD2 LYS 18 1HD LYS 18 -0.294 -3.806 3.392
98 HD3 LYS 18 2HD LYS 18 0.660 -4.877 4.421
99 HE2 LYS 18 1HE LYS 18 -0.048 -3.334 6.343
100 HE3 LYS 18 2HE LYS 18 -1.259 -2.711 5.224
101 HZ1 LYS 18 3HZ LYS 18 -0.983 -5.494 6.211
102 HZ2 LYS 18 1HZ LYS 18 -2.010 -5.057 4.939
103 HZ3 LYS 18 2HZ LYS 18 -2.265 -4.425 6.487
104 H ASP 19 H ASP 19 3.585 -2.185 4.648
105 HA ASP 19 HA ASP 19 5.402 -1.119 2.630
106 HB2 ASP 19 1HB ASP 19 7.257 -1.666 4.481
107 HB3 ASP 19 2HB ASP 19 6.535 -0.068 4.311
108 H PHE 20 H PHE 20 6.234 -2.703 1.434
109 HA PHE 20 HA PHE 20 6.286 -5.424 2.560
110 HB2 PHE 20 1HB PHE 20 5.772 -4.795 -0.346
111 HB3 PHE 20 2HB PHE 20 5.578 -6.340 0.476
112 HD1 PHE 20 HD2 PHE 20 4.236 -2.885 0.331
113 HD2 PHE 20 HD1 PHE 20 3.527 -6.944 1.397
114 HE1 PHE 20 HE2 PHE 20 1.869 -2.358 0.749
115 HE2 PHE 20 HE1 PHE 20 1.159 -6.424 1.816
116 HZ PHE 20 HZ PHE 20 0.328 -4.129 1.493
117 H SER 21 H SER 21 7.931 -6.828 1.765
118 HA SER 21 HA SER 21 10.410 -5.458 1.270
119 HB2 SER 21 1HB SER 21 10.028 -7.571 2.717
120 HB3 SER 21 2HB SER 21 10.061 -8.447 1.187
121 HG SER 21 HG SER 21 12.116 -6.629 1.656
122 H SER 22 H SER 22 8.343 -7.710 -0.523
123 HA SER 22 HA SER 22 9.982 -7.260 -2.918
124 HB2 SER 22 1HB SER 22 7.811 -9.327 -2.502
125 HB3 SER 22 2HB SER 22 8.955 -9.248 -3.841
126 HG SER 22 HG SER 22 9.254 -10.405 -1.445
127 H LYS 23 H LYS 23 9.056 -6.597 -4.864
128 HA LYS 23 HA LYS 23 6.989 -4.695 -4.669
129 HB2 LYS 23 1HB LYS 23 8.833 -4.730 -6.383
130 HB3 LYS 23 2HB LYS 23 7.970 -6.029 -7.196
131 HG2 LYS 23 1HG LYS 23 5.995 -4.438 -7.318
132 HG3 LYS 23 2HG LYS 23 7.127 -3.171 -6.840
133 HD2 LYS 23 1HD LYS 23 8.568 -3.971 -8.795
134 HD3 LYS 23 2HD LYS 23 7.136 -4.854 -9.331
135 HE2 LYS 23 1HE LYS 23 7.262 -1.882 -8.823
136 HE3 LYS 23 2HE LYS 23 7.359 -2.645 -10.409
137 HZ1 LYS 23 3HZ LYS 23 5.148 -3.490 -10.147
138 HZ2 LYS 23 1HZ LYS 23 5.120 -1.824 -9.854
139 HZ3 LYS 23 2HZ LYS 23 5.052 -2.911 -8.560
140 H SER 24 H SER 24 7.034 -8.018 -5.885
141 HA SER 24 HA SER 24 4.549 -8.219 -7.022
142 HB2 SER 24 1HB SER 24 6.448 -10.006 -6.611
143 HB3 SER 24 2HB SER 24 5.447 -10.436 -5.224
144 HG SER 24 HG SER 24 4.985 -10.791 -7.925
145 H TYR 25 H TYR 25 5.215 -9.152 -3.643
146 HA TYR 25 HA TYR 25 2.720 -9.576 -2.707
147 HB2 TYR 25 1HB TYR 25 5.057 -8.217 -1.386
148 HB3 TYR 25 2HB TYR 25 3.556 -8.504 -0.514
149 HD1 TYR 25 HD1 TYR 25 2.697 -11.114 -1.210
150 HD2 TYR 25 HD2 TYR 25 6.682 -9.707 -0.721
151 HE1 TYR 25 HE1 TYR 25 3.434 -13.401 -0.687
152 HE2 TYR 25 HE2 TYR 25 7.431 -11.990 -0.198
153 HH TYR 25 HH TYR 25 6.485 -14.090 0.639
154 H LEU 26 H LEU 26 4.231 -6.393 -3.099
155 HA LEU 26 HA LEU 26 2.114 -4.876 -2.036
156 HB2 LEU 26 1HB LEU 26 4.250 -3.866 -2.290
157 HB3 LEU 26 2HB LEU 26 4.279 -4.215 -4.017
158 HG LEU 26 HG LEU 26 2.419 -2.589 -4.316
159 HD11 LEU 26 1HD1 LEU 26 3.006 -1.668 -1.522
160 HD12 LEU 26 2HD1 LEU 26 1.701 -2.800 -1.877
161 HD13 LEU 26 3HD1 LEU 26 1.688 -1.188 -2.591
162 HD21 LEU 26 3HD2 LEU 26 4.153 -0.689 -3.230
163 HD22 LEU 26 1HD2 LEU 26 4.140 -1.305 -4.883
164 HD23 LEU 26 2HD2 LEU 26 5.174 -2.059 -3.669
165 H ILE 27 H ILE 27 3.006 -5.246 -5.473
166 HA ILE 27 HA ILE 27 0.903 -4.074 -6.698
167 HB ILE 27 HB ILE 27 2.152 -6.702 -7.507
168 HG12 ILE 27 1HG1 ILE 27 2.750 -3.942 -8.568
169 HG13 ILE 27 2HG1 ILE 27 3.632 -4.643 -7.216
170 HG21 ILE 27 1HG2 ILE 27 0.475 -4.767 -9.098
171 HG22 ILE 27 2HG2 ILE 27 1.371 -6.123 -9.780
172 HG23 ILE 27 3HG2 ILE 27 0.048 -6.419 -8.653
173 HD11 ILE 27 3HD1 ILE 27 3.809 -5.206 -10.083
174 HD12 ILE 27 1HD1 ILE 27 5.024 -5.353 -8.814
175 HD13 ILE 27 2HD1 ILE 27 3.828 -6.629 -9.041
176 H VAL 28 H VAL 28 0.898 -7.274 -5.212
177 HA VAL 28 HA VAL 28 -1.719 -7.987 -6.078
178 HB VAL 28 HB VAL 28 -0.083 -9.057 -3.775
179 HG11 VAL 28 1HG1 VAL 28 -2.767 -9.386 -4.116
180 HG12 VAL 28 2HG1 VAL 28 -2.120 -10.777 -4.987
181 HG13 VAL 28 3HG1 VAL 28 -1.706 -10.527 -3.291
182 HG21 VAL 28 3HG2 VAL 28 -0.465 -10.754 -6.109
183 HG22 VAL 28 1HG2 VAL 28 0.398 -9.261 -6.479
184 HG23 VAL 28 2HG2 VAL 28 1.012 -10.349 -5.234
185 H HIS 29 H HIS 29 -0.414 -6.528 -3.135
186 HA HIS 29 HA HIS 29 -2.873 -6.519 -1.709
187 HB2 HIS 29 1HB HIS 29 -0.879 -6.361 -0.424
188 HB3 HIS 29 2HB HIS 29 -0.294 -4.992 -1.365
189 HD1 HIS 29 HD1 HIS 29 -2.694 -5.880 1.371
190 HD2 HIS 29 HD2 HIS 29 -1.274 -2.502 -0.588
191 HE1 HIS 29 HE1 HIS 29 -3.492 -3.926 2.737
192 H GLN 30 H GLN 30 -1.081 -3.912 -3.357
193 HA GLN 30 HA GLN 30 -2.695 -1.781 -3.013
194 HB2 GLN 30 1HB GLN 30 -1.229 -2.704 -5.468
195 HB3 GLN 30 2HB GLN 30 -2.140 -1.200 -5.473
196 HG2 GLN 30 1HG GLN 30 -0.746 -0.695 -3.322
197 HG3 GLN 30 2HG GLN 30 0.342 -1.908 -3.992
198 HE21 GLN 30 1HE2 GLN 30 2.013 -0.681 -4.622
199 HE22 GLN 30 2HE2 GLN 30 1.912 0.604 -5.773
200 H ARG 31 H ARG 31 -3.496 -4.660 -4.739
201 HA ARG 31 HA ARG 31 -5.557 -3.725 -6.388
202 HB2 ARG 31 1HB ARG 31 -5.233 -6.410 -5.038
203 HB3 ARG 31 2HB ARG 31 -6.396 -6.068 -6.312
204 HG2 ARG 31 1HG ARG 31 -4.524 -5.499 -7.819
205 HG3 ARG 31 2HG ARG 31 -3.397 -5.961 -6.542
206 HD2 ARG 31 1HD ARG 31 -4.309 -8.225 -6.549
207 HD3 ARG 31 2HD ARG 31 -5.458 -7.765 -7.805
208 HE ARG 31 HE ARG 31 -3.098 -7.170 -8.942
209 HH11 ARG 31 1HH1 ARG 31 -4.259 -10.015 -7.306
210 HH12 ARG 31 2HH1 ARG 31 -3.271 -11.104 -8.223
211 HH21 ARG 31 1HH2 ARG 31 -1.793 -8.593 -10.156
212 HH22 ARG 31 2HH2 ARG 31 -1.869 -10.294 -9.843
213 H ILE 32 H ILE 32 -5.629 -4.899 -3.041
214 HA ILE 32 HA ILE 32 -8.373 -4.848 -2.617
215 HB ILE 32 HB ILE 32 -7.933 -4.771 -0.277
216 HG12 ILE 32 1HG1 ILE 32 -5.038 -4.160 -0.581
217 HG13 ILE 32 2HG1 ILE 32 -6.163 -2.819 -0.765
218 HG21 ILE 32 1HG2 ILE 32 -7.260 -6.869 -0.669
219 HG22 ILE 32 2HG2 ILE 32 -6.249 -6.389 -2.032
220 HG23 ILE 32 3HG2 ILE 32 -5.634 -6.248 -0.385
221 HD11 ILE 32 3HD1 ILE 32 -5.393 -2.928 1.505
222 HD12 ILE 32 1HD1 ILE 32 -7.104 -3.353 1.448
223 HD13 ILE 32 2HD1 ILE 32 -5.886 -4.617 1.629
224 H HIS 33 H HIS 33 -6.316 -2.264 -3.295
225 HA HIS 33 HA HIS 33 -8.149 -0.313 -2.078
226 HB2 HIS 33 1HB HIS 33 -5.320 -0.009 -3.099
227 HB3 HIS 33 2HB HIS 33 -6.316 1.337 -2.552
228 HD1 HIS 33 HD1 HIS 33 -7.419 0.539 0.037
229 HD2 HIS 33 HD2 HIS 33 -3.605 -0.632 -1.121
230 HE1 HIS 33 HE1 HIS 33 -6.203 0.001 2.172
231 H THR 34 H THR 34 -6.663 -1.303 -5.109
232 HA THR 34 HA THR 34 -7.398 0.742 -6.795
233 HB THR 34 HB THR 34 -7.605 -1.052 -8.587
234 HG1 THR 34 HG1 THR 34 -7.316 -3.134 -8.010
235 HG21 THR 34 3HG2 THR 34 -5.500 0.083 -8.178
236 HG22 THR 34 1HG2 THR 34 -5.202 -1.626 -8.492
237 HG23 THR 34 2HG2 THR 34 -5.141 -1.009 -6.841
238 H GLY 35 H GLY 35 -9.221 1.360 -7.878
239 HA2 GLY 35 1HA GLY 35 -11.704 -0.076 -7.164
240 HA3 GLY 35 2HA GLY 35 -11.608 1.674 -7.292
241 H GLU 36 H GLU 36 -11.342 -1.326 -9.149
242 HA GLU 36 HA GLU 36 -12.137 0.194 -11.546
243 HB2 GLU 36 1HB GLU 36 -10.939 -1.359 -12.908
244 HB3 GLU 36 2HB GLU 36 -9.855 -0.849 -11.622
245 HG2 GLU 36 1HG GLU 36 -11.449 -3.395 -11.534
246 HG3 GLU 36 2HG GLU 36 -9.807 -3.289 -12.166
247 H LYS 37 H LYS 37 -12.544 -2.803 -9.730
248 HA LYS 37 HA LYS 37 -14.268 -4.243 -11.257
249 HB2 LYS 37 1HB LYS 37 -13.469 -4.919 -9.016
250 HB3 LYS 37 2HB LYS 37 -14.573 -3.760 -8.287
251 HG2 LYS 37 1HG LYS 37 -16.403 -5.061 -9.571
252 HG3 LYS 37 2HG LYS 37 -15.183 -6.332 -9.678
253 HD2 LYS 37 1HD LYS 37 -15.828 -5.047 -7.049
254 HD3 LYS 37 2HD LYS 37 -16.839 -6.345 -7.688
255 HE2 LYS 37 1HE LYS 37 -14.974 -7.850 -7.743
256 HE3 LYS 37 2HE LYS 37 -13.854 -6.554 -7.329
257 HZ1 LYS 37 3HZ LYS 37 -14.331 -6.736 -5.169
258 HZ2 LYS 37 1HZ LYS 37 -14.979 -8.249 -5.562
259 HZ3 LYS 37 2HZ LYS 37 -15.994 -6.903 -5.433
260 H LEU 38 H LEU 38 -16.100 -3.791 -12.268
261 HA LEU 38 HA LEU 38 -17.947 -1.850 -11.044
262 HB2 LEU 38 1HB LEU 38 -18.390 -0.837 -13.087
263 HB3 LEU 38 2HB LEU 38 -16.642 -1.064 -13.097
264 HG LEU 38 HG LEU 38 -18.608 -2.860 -14.515
265 HD11 LEU 38 1HD1 LEU 38 -17.406 -1.719 -16.532
266 HD12 LEU 38 2HD1 LEU 38 -17.136 -0.414 -15.377
267 HD13 LEU 38 3HD1 LEU 38 -18.779 -0.932 -15.753
268 HD21 LEU 38 3HD2 LEU 38 -15.609 -2.728 -14.396
269 HD22 LEU 38 1HD2 LEU 38 -16.466 -3.517 -15.721
270 HD23 LEU 38 2HD2 LEU 38 -16.665 -4.103 -14.069
271 H SER 39 H SER 39 -19.950 -2.572 -10.731
272 HA SER 39 HA SER 39 -20.991 -4.730 -12.410
273 HB2 SER 39 1HB SER 39 -20.897 -4.808 -9.386
274 HB3 SER 39 2HB SER 39 -21.843 -5.916 -10.380
275 HG SER 39 HG SER 39 -20.086 -7.043 -10.517
276 H GLY 40 H GLY 40 -23.202 -4.711 -12.684
277 HA2 GLY 40 1HA GLY 40 -25.117 -3.465 -11.131
278 HA3 GLY 40 2HA GLY 40 -24.514 -2.223 -12.218
279 HA PRO 41 HA PRO 41 -27.493 -3.581 -15.151
280 HB2 PRO 41 1HB PRO 41 -26.392 -2.519 -17.394
281 HB3 PRO 41 2HB PRO 41 -27.202 -1.540 -16.166
282 HG2 PRO 41 1HG PRO 41 -24.276 -2.017 -16.582
283 HG3 PRO 41 2HG PRO 41 -25.121 -0.505 -16.202
284 HD2 PRO 41 1HD PRO 41 -23.821 -1.959 -14.324
285 HD3 PRO 41 2HD PRO 41 -25.275 -1.008 -13.958
286 H SER 42 H SER 42 -24.077 -3.992 -16.074
287 HA SER 42 HA SER 42 -24.600 -6.056 -17.962
288 HB2 SER 42 1HB SER 42 -22.587 -4.745 -18.188
289 HB3 SER 42 2HB SER 42 -22.050 -5.206 -16.573
290 HG SER 42 HG SER 42 -22.334 -6.895 -18.835
291 H SER 43 H SER 43 -24.016 -8.285 -17.801
292 HA SER 43 HA SER 43 -24.535 -9.363 -15.136
293 HB2 SER 43 1HB SER 43 -25.895 -10.169 -17.046
294 HB3 SER 43 2HB SER 43 -24.429 -10.790 -17.806
295 HG SER 43 HG SER 43 -25.951 -12.069 -16.150
296 H GLY 44 H GLY 44 -22.010 -8.241 -15.412
297 HA2 GLY 44 1HA GLY 44 -19.925 -9.856 -16.226
298 HA3 GLY 44 2HA GLY 44 -19.833 -8.739 -14.872
Start of MODEL 4
1 H1 GLY 1 H GLY 1 12.008 13.022 4.848
2 HA2 GLY 1 1HA GLY 1 13.304 11.340 6.905
3 HA3 GLY 1 2HA GLY 1 12.471 10.667 5.511
4 H SER 2 H SER 2 14.362 9.547 4.896
5 HA SER 2 HA SER 2 16.307 11.261 3.517
6 HB2 SER 2 1HB SER 2 17.082 10.210 5.798
7 HB3 SER 2 2HB SER 2 17.252 8.741 4.837
8 HG SER 2 HG SER 2 18.507 10.183 3.359
9 H SER 3 H SER 3 16.876 10.588 1.518
10 HA SER 3 HA SER 3 15.628 8.107 0.558
11 HB2 SER 3 1HB SER 3 15.105 10.409 -0.492
12 HB3 SER 3 2HB SER 3 16.710 10.289 -1.213
13 HG SER 3 HG SER 3 14.397 8.997 -1.875
14 H GLY 4 H GLY 4 16.797 6.541 -0.474
15 HA2 GLY 4 1HA GLY 4 19.058 6.367 -1.774
16 HA3 GLY 4 2HA GLY 4 19.709 6.754 -0.188
17 H SER 5 H SER 5 18.247 5.289 1.525
18 HA SER 5 HA SER 5 19.386 2.812 1.542
19 HB2 SER 5 1HB SER 5 16.938 3.947 2.799
20 HB3 SER 5 2HB SER 5 17.139 2.196 2.857
21 HG SER 5 HG SER 5 18.168 2.941 4.635
22 H SER 6 H SER 6 19.252 1.085 0.287
23 HA SER 6 HA SER 6 16.707 0.496 -1.061
24 HB2 SER 6 1HB SER 6 19.428 0.783 -2.279
25 HB3 SER 6 2HB SER 6 18.294 -0.376 -2.972
26 HG SER 6 HG SER 6 16.806 1.607 -2.818
27 H GLY 7 H GLY 7 16.078 -1.584 -0.971
28 HA2 GLY 7 1HA GLY 7 16.717 -3.953 -1.080
29 HA3 GLY 7 2HA GLY 7 18.057 -3.559 -0.014
30 H GLU 8 H GLU 8 16.493 -1.840 1.721
31 HA GLU 8 HA GLU 8 15.054 -3.945 3.179
32 HB2 GLU 8 1HB GLU 8 17.048 -2.609 4.173
33 HB3 GLU 8 2HB GLU 8 15.877 -1.313 4.365
34 HG2 GLU 8 1HG GLU 8 14.492 -2.736 5.757
35 HG3 GLU 8 2HG GLU 8 15.613 -4.077 5.526
36 H LYS 9 H LYS 9 12.956 -3.900 2.656
37 HA LYS 9 HA LYS 9 10.850 -3.134 2.215
38 HB2 LYS 9 1HB LYS 9 11.603 -1.109 4.330
39 HB3 LYS 9 2HB LYS 9 9.969 -1.549 3.853
40 HG2 LYS 9 1HG LYS 9 10.440 -3.869 4.617
41 HG3 LYS 9 2HG LYS 9 11.993 -3.298 5.232
42 HD2 LYS 9 1HD LYS 9 9.359 -2.091 6.051
43 HD3 LYS 9 2HD LYS 9 10.112 -3.432 6.917
44 HE2 LYS 9 1HE LYS 9 11.626 -0.905 6.363
45 HE3 LYS 9 2HE LYS 9 10.533 -1.021 7.741
46 HZ1 LYS 9 3HZ LYS 9 12.511 -3.146 7.370
47 HZ2 LYS 9 1HZ LYS 9 11.871 -2.504 8.799
48 HZ3 LYS 9 2HZ LYS 9 13.056 -1.651 7.944
49 HA PRO 10 HA PRO 10 12.579 0.510 -0.261
50 HB2 PRO 10 1HB PRO 10 12.619 -0.723 -2.679
51 HB3 PRO 10 2HB PRO 10 13.993 -0.743 -1.568
52 HG2 PRO 10 1HG PRO 10 11.911 -2.841 -2.041
53 HG3 PRO 10 2HG PRO 10 13.663 -3.028 -1.844
54 HD2 PRO 10 1HD PRO 10 11.912 -3.512 0.163
55 HD3 PRO 10 2HD PRO 10 13.547 -2.885 0.453
56 H TYR 11 H TYR 11 10.074 -1.895 -0.846
57 HA TYR 11 HA TYR 11 8.494 0.057 -2.350
58 HB2 TYR 11 1HB TYR 11 7.833 -2.844 -1.827
59 HB3 TYR 11 2HB TYR 11 7.102 -1.780 -3.024
60 HD1 TYR 11 HD1 TYR 11 8.306 -1.200 -5.074
61 HD2 TYR 11 HD2 TYR 11 9.979 -3.877 -2.221
62 HE1 TYR 11 HE1 TYR 11 9.946 -1.948 -6.746
63 HE2 TYR 11 HE2 TYR 11 11.625 -4.631 -3.885
64 HH TYR 11 HH TYR 11 12.659 -3.365 -6.156
65 H GLY 12 H GLY 12 6.451 0.725 -1.709
66 HA2 GLY 12 1HA GLY 12 5.336 -0.237 0.794
67 HA3 GLY 12 2HA GLY 12 5.916 1.422 0.824
68 H CYS 13 H CYS 13 3.219 0.556 1.238
69 HA CYS 13 HA CYS 13 1.807 1.328 -1.193
70 HB2 CYS 13 1HB CYS 13 0.999 -0.598 0.144
71 HB3 CYS 13 2HB CYS 13 0.704 0.490 1.496
72 H ASN 14 H ASN 14 1.254 3.360 -1.578
73 HA ASN 14 HA ASN 14 1.308 5.290 0.623
74 HB2 ASN 14 1HB ASN 14 1.472 5.555 -2.371
75 HB3 ASN 14 2HB ASN 14 1.134 6.949 -1.349
76 HD21 ASN 14 1HD2 ASN 14 3.512 5.246 -2.846
77 HD22 ASN 14 2HD2 ASN 14 4.869 5.763 -1.910
78 H GLU 15 H GLU 15 -0.903 3.444 0.325
79 HA GLU 15 HA GLU 15 -3.068 5.353 -0.270
80 HB2 GLU 15 1HB GLU 15 -2.888 2.386 -0.703
81 HB3 GLU 15 2HB GLU 15 -4.449 3.177 -0.542
82 HG2 GLU 15 1HG GLU 15 -3.562 4.750 -2.398
83 HG3 GLU 15 2HG GLU 15 -2.403 3.456 -2.697
84 H CYS 16 H CYS 16 -2.122 2.610 1.775
85 HA CYS 16 HA CYS 16 -4.013 3.578 3.817
86 HB2 CYS 16 1HB CYS 16 -4.120 1.323 4.679
87 HB3 CYS 16 2HB CYS 16 -4.452 1.284 2.951
88 H GLY 17 H GLY 17 -0.796 2.136 3.360
89 HA2 GLY 17 1HA GLY 17 0.987 3.469 4.555
90 HA3 GLY 17 2HA GLY 17 -0.025 3.267 5.978
91 H LYS 18 H LYS 18 0.706 0.872 3.480
92 HA LYS 18 HA LYS 18 1.915 -0.804 5.576
93 HB2 LYS 18 1HB LYS 18 0.183 -1.401 3.233
94 HB3 LYS 18 2HB LYS 18 1.404 -2.594 3.656
95 HG2 LYS 18 1HG LYS 18 0.478 -2.595 5.978
96 HG3 LYS 18 2HG LYS 18 -0.835 -1.574 5.387
97 HD2 LYS 18 1HD LYS 18 -1.681 -3.768 5.313
98 HD3 LYS 18 2HD LYS 18 -1.244 -3.388 3.645
99 HE2 LYS 18 1HE LYS 18 -0.435 -5.567 4.034
100 HE3 LYS 18 2HE LYS 18 0.977 -4.515 4.122
101 HZ1 LYS 18 3HZ LYS 18 -0.519 -5.298 6.548
102 HZ2 LYS 18 1HZ LYS 18 1.059 -4.700 6.430
103 HZ3 LYS 18 2HZ LYS 18 0.710 -6.273 5.916
104 H ASP 19 H ASP 19 3.486 -2.479 4.602
105 HA ASP 19 HA ASP 19 5.097 -1.330 2.443
106 HB2 ASP 19 1HB ASP 19 6.134 -0.476 4.458
107 HB3 ASP 19 2HB ASP 19 6.155 -2.085 5.174
108 H PHE 20 H PHE 20 6.572 -2.838 1.464
109 HA PHE 20 HA PHE 20 6.325 -5.638 2.189
110 HB2 PHE 20 1HB PHE 20 5.586 -4.775 -0.608
111 HB3 PHE 20 2HB PHE 20 5.455 -6.385 0.092
112 HD1 PHE 20 HD2 PHE 20 4.070 -2.962 0.205
113 HD2 PHE 20 HD1 PHE 20 3.534 -7.047 1.272
114 HE1 PHE 20 HE2 PHE 20 1.747 -2.482 0.859
115 HE2 PHE 20 HE1 PHE 20 1.209 -6.574 1.927
116 HZ PHE 20 HZ PHE 20 0.314 -4.289 1.722
117 H SER 21 H SER 21 8.282 -6.495 2.058
118 HA SER 21 HA SER 21 10.525 -5.191 1.063
119 HB2 SER 21 1HB SER 21 10.887 -6.923 2.639
120 HB3 SER 21 2HB SER 21 9.998 -8.098 1.671
121 HG SER 21 HG SER 21 12.221 -8.423 1.442
122 H SER 22 H SER 22 8.466 -7.629 -0.463
123 HA SER 22 HA SER 22 10.025 -7.462 -2.926
124 HB2 SER 22 1HB SER 22 8.978 -9.624 -1.800
125 HB3 SER 22 2HB SER 22 7.554 -9.128 -2.715
126 HG SER 22 HG SER 22 9.911 -9.076 -4.138
127 H LYS 23 H LYS 23 9.093 -6.918 -4.938
128 HA LYS 23 HA LYS 23 7.275 -4.733 -4.827
129 HB2 LYS 23 1HB LYS 23 8.999 -4.757 -6.511
130 HB3 LYS 23 2HB LYS 23 8.415 -6.287 -7.153
131 HG2 LYS 23 1HG LYS 23 7.604 -4.750 -8.671
132 HG3 LYS 23 2HG LYS 23 6.223 -5.000 -7.601
133 HD2 LYS 23 1HD LYS 23 6.772 -2.969 -6.383
134 HD3 LYS 23 2HD LYS 23 8.205 -2.733 -7.386
135 HE2 LYS 23 1HE LYS 23 5.530 -2.985 -8.685
136 HE3 LYS 23 2HE LYS 23 5.974 -1.462 -7.915
137 HZ1 LYS 23 3HZ LYS 23 7.313 -2.818 -10.180
138 HZ2 LYS 23 1HZ LYS 23 8.065 -1.586 -9.298
139 HZ3 LYS 23 2HZ LYS 23 6.633 -1.269 -10.141
140 H SER 24 H SER 24 6.976 -8.133 -5.639
141 HA SER 24 HA SER 24 4.439 -8.051 -6.843
142 HB2 SER 24 1HB SER 24 4.323 -10.468 -6.270
143 HB3 SER 24 2HB SER 24 5.855 -10.021 -7.021
144 HG SER 24 HG SER 24 6.672 -9.849 -4.809
145 H TYR 25 H TYR 25 5.268 -9.033 -3.513
146 HA TYR 25 HA TYR 25 2.829 -9.388 -2.417
147 HB2 TYR 25 1HB TYR 25 5.217 -7.984 -1.217
148 HB3 TYR 25 2HB TYR 25 3.790 -8.412 -0.280
149 HD1 TYR 25 HD1 TYR 25 3.067 -11.041 -1.040
150 HD2 TYR 25 HD2 TYR 25 6.975 -9.387 -0.724
151 HE1 TYR 25 HE1 TYR 25 3.984 -13.293 -0.665
152 HE2 TYR 25 HE2 TYR 25 7.902 -11.634 -0.349
153 HH TYR 25 HH TYR 25 7.380 -13.784 0.134
154 H LEU 26 H LEU 26 4.265 -6.312 -3.289
155 HA LEU 26 HA LEU 26 2.267 -4.708 -2.013
156 HB2 LEU 26 1HB LEU 26 4.344 -3.668 -2.333
157 HB3 LEU 26 2HB LEU 26 4.427 -4.164 -4.022
158 HG LEU 26 HG LEU 26 2.502 -2.581 -4.450
159 HD11 LEU 26 1HD1 LEU 26 3.280 -1.400 -1.798
160 HD12 LEU 26 2HD1 LEU 26 1.884 -2.457 -2.004
161 HD13 LEU 26 3HD1 LEU 26 1.960 -0.920 -2.864
162 HD21 LEU 26 3HD2 LEU 26 4.234 -0.561 -3.845
163 HD22 LEU 26 1HD2 LEU 26 4.315 -1.569 -5.290
164 HD23 LEU 26 2HD2 LEU 26 5.305 -1.962 -3.884
165 H ILE 27 H ILE 27 3.009 -5.238 -5.465
166 HA ILE 27 HA ILE 27 0.853 -4.032 -6.615
167 HB ILE 27 HB ILE 27 2.065 -6.658 -7.485
168 HG12 ILE 27 1HG1 ILE 27 2.704 -3.931 -8.585
169 HG13 ILE 27 2HG1 ILE 27 3.552 -4.564 -7.178
170 HG21 ILE 27 1HG2 ILE 27 1.077 -6.381 -9.573
171 HG22 ILE 27 2HG2 ILE 27 -0.205 -5.927 -8.452
172 HG23 ILE 27 3HG2 ILE 27 0.720 -4.678 -9.285
173 HD11 ILE 27 3HD1 ILE 27 4.621 -4.873 -9.474
174 HD12 ILE 27 1HD1 ILE 27 4.549 -6.272 -8.404
175 HD13 ILE 27 2HD1 ILE 27 3.398 -6.117 -9.731
176 H VAL 28 H VAL 28 0.949 -7.232 -5.131
177 HA VAL 28 HA VAL 28 -1.657 -8.028 -5.907
178 HB VAL 28 HB VAL 28 0.007 -8.949 -3.559
179 HG11 VAL 28 1HG1 VAL 28 -2.575 -9.360 -3.632
180 HG12 VAL 28 2HG1 VAL 28 -2.142 -10.587 -4.824
181 HG13 VAL 28 3HG1 VAL 28 -1.477 -10.668 -3.192
182 HG21 VAL 28 3HG2 VAL 28 1.179 -10.214 -4.971
183 HG22 VAL 28 1HG2 VAL 28 -0.279 -10.779 -5.785
184 HG23 VAL 28 2HG2 VAL 28 0.473 -9.262 -6.276
185 H HIS 29 H HIS 29 -0.379 -6.405 -3.038
186 HA HIS 29 HA HIS 29 -2.834 -6.398 -1.604
187 HB2 HIS 29 1HB HIS 29 -0.818 -6.140 -0.351
188 HB3 HIS 29 2HB HIS 29 -0.306 -4.770 -1.332
189 HD1 HIS 29 HD1 HIS 29 -2.763 -5.696 1.367
190 HD2 HIS 29 HD2 HIS 29 -1.264 -2.311 -0.519
191 HE1 HIS 29 HE1 HIS 29 -3.603 -3.747 2.716
192 H GLN 30 H GLN 30 -1.117 -3.840 -3.399
193 HA GLN 30 HA GLN 30 -2.762 -1.722 -3.133
194 HB2 GLN 30 1HB GLN 30 -1.246 -2.749 -5.498
195 HB3 GLN 30 2HB GLN 30 -2.282 -1.340 -5.688
196 HG2 GLN 30 1HG GLN 30 -1.033 -0.331 -3.733
197 HG3 GLN 30 2HG GLN 30 0.119 -1.652 -3.916
198 HE21 GLN 30 1HE2 GLN 30 0.627 1.152 -4.203
199 HE22 GLN 30 2HE2 GLN 30 1.168 1.407 -5.824
200 H ARG 31 H ARG 31 -3.541 -4.698 -4.701
201 HA ARG 31 HA ARG 31 -5.646 -3.884 -6.355
202 HB2 ARG 31 1HB ARG 31 -5.359 -6.495 -4.858
203 HB3 ARG 31 2HB ARG 31 -6.408 -6.211 -6.240
204 HG2 ARG 31 1HG ARG 31 -4.541 -5.915 -7.692
205 HG3 ARG 31 2HG ARG 31 -3.416 -5.924 -6.332
206 HD2 ARG 31 1HD ARG 31 -3.318 -8.065 -7.390
207 HD3 ARG 31 2HD ARG 31 -4.137 -8.258 -5.841
208 HE ARG 31 HE ARG 31 -6.086 -8.784 -6.958
209 HH11 ARG 31 1HH1 ARG 31 -3.689 -7.632 -9.205
210 HH12 ARG 31 2HH1 ARG 31 -4.582 -8.117 -10.608
211 HH21 ARG 31 1HH2 ARG 31 -7.271 -9.427 -8.798
212 HH22 ARG 31 2HH2 ARG 31 -6.620 -9.137 -10.375
213 H ILE 32 H ILE 32 -5.640 -4.879 -2.951
214 HA ILE 32 HA ILE 32 -8.360 -4.885 -2.455
215 HB ILE 32 HB ILE 32 -7.873 -4.598 -0.144
216 HG12 ILE 32 1HG1 ILE 32 -5.024 -3.855 -0.576
217 HG13 ILE 32 2HG1 ILE 32 -6.232 -2.598 -0.821
218 HG21 ILE 32 1HG2 ILE 32 -7.055 -6.675 -1.275
219 HG22 ILE 32 2HG2 ILE 32 -5.452 -5.944 -1.322
220 HG23 ILE 32 3HG2 ILE 32 -6.223 -6.279 0.228
221 HD11 ILE 32 3HD1 ILE 32 -5.677 -2.313 1.386
222 HD12 ILE 32 1HD1 ILE 32 -7.096 -3.352 1.507
223 HD13 ILE 32 2HD1 ILE 32 -5.481 -4.042 1.673
224 H HIS 33 H HIS 33 -6.409 -2.263 -3.343
225 HA HIS 33 HA HIS 33 -8.363 -0.322 -2.311
226 HB2 HIS 33 1HB HIS 33 -5.550 0.138 -3.326
227 HB3 HIS 33 2HB HIS 33 -6.630 1.385 -2.710
228 HD1 HIS 33 HD1 HIS 33 -7.549 0.581 -0.108
229 HD2 HIS 33 HD2 HIS 33 -3.781 -0.567 -1.427
230 HE1 HIS 33 HE1 HIS 33 -6.246 0.036 1.973
231 H THR 34 H THR 34 -6.837 -1.564 -5.197
232 HA THR 34 HA THR 34 -7.512 0.346 -7.074
233 HB THR 34 HB THR 34 -7.627 -1.546 -8.725
234 HG1 THR 34 HG1 THR 34 -8.441 -3.131 -7.241
235 HG21 THR 34 3HG2 THR 34 -5.465 -0.913 -8.707
236 HG22 THR 34 1HG2 THR 34 -5.210 -2.415 -7.820
237 HG23 THR 34 2HG2 THR 34 -5.382 -0.893 -6.946
238 H GLY 35 H GLY 35 -9.502 -2.311 -5.819
239 HA2 GLY 35 1HA GLY 35 -11.926 -0.967 -5.984
240 HA3 GLY 35 2HA GLY 35 -11.728 -1.815 -7.511
241 H GLU 36 H GLU 36 -10.510 -3.023 -4.454
242 HA GLU 36 HA GLU 36 -12.643 -5.051 -4.441
243 HB2 GLU 36 1HB GLU 36 -10.342 -5.798 -5.364
244 HB3 GLU 36 2HB GLU 36 -9.811 -5.718 -3.690
245 HG2 GLU 36 1HG GLU 36 -11.879 -7.223 -3.240
246 HG3 GLU 36 2HG GLU 36 -11.771 -7.567 -4.965
247 H LYS 37 H LYS 37 -12.801 -2.803 -2.894
248 HA LYS 37 HA LYS 37 -11.642 -2.797 -0.391
249 HB2 LYS 37 1HB LYS 37 -14.310 -1.889 -1.408
250 HB3 LYS 37 2HB LYS 37 -13.963 -1.808 0.314
251 HG2 LYS 37 1HG LYS 37 -13.342 0.287 -0.367
252 HG3 LYS 37 2HG LYS 37 -11.803 -0.572 -0.470
253 HD2 LYS 37 1HD LYS 37 -12.124 0.769 -2.458
254 HD3 LYS 37 2HD LYS 37 -12.208 -0.944 -2.878
255 HE2 LYS 37 1HE LYS 37 -14.525 -0.879 -3.167
256 HE3 LYS 37 2HE LYS 37 -14.688 0.625 -2.261
257 HZ1 LYS 37 3HZ LYS 37 -14.330 1.829 -4.084
258 HZ2 LYS 37 1HZ LYS 37 -14.595 0.408 -4.964
259 HZ3 LYS 37 2HZ LYS 37 -13.018 0.883 -4.580
260 H LEU 38 H LEU 38 -14.694 -4.381 -1.328
261 HA LEU 38 HA LEU 38 -15.864 -6.100 -0.408
262 HB2 LEU 38 1HB LEU 38 -13.646 -7.205 -0.834
263 HB3 LEU 38 2HB LEU 38 -13.250 -6.899 0.855
264 HG LEU 38 HG LEU 38 -15.262 -8.280 1.468
265 HD11 LEU 38 1HD1 LEU 38 -15.929 -9.910 -0.371
266 HD12 LEU 38 2HD1 LEU 38 -15.228 -8.748 -1.497
267 HD13 LEU 38 3HD1 LEU 38 -16.581 -8.274 -0.469
268 HD21 LEU 38 3HD2 LEU 38 -14.120 -10.450 0.872
269 HD22 LEU 38 1HD2 LEU 38 -13.122 -9.263 1.714
270 HD23 LEU 38 2HD2 LEU 38 -12.946 -9.487 -0.027
271 H SER 39 H SER 39 -15.951 -3.688 0.992
272 HA SER 39 HA SER 39 -15.835 -4.472 3.818
273 HB2 SER 39 1HB SER 39 -14.739 -2.326 3.049
274 HB3 SER 39 2HB SER 39 -16.355 -1.710 2.702
275 HG SER 39 HG SER 39 -16.110 -1.076 4.730
276 H GLY 40 H GLY 40 -17.640 -3.864 5.219
277 HA2 GLY 40 1HA GLY 40 -20.169 -4.506 3.929
278 HA3 GLY 40 2HA GLY 40 -19.866 -4.440 5.659
279 HA PRO 41 HA PRO 41 -21.741 -0.402 3.798
280 HB2 PRO 41 1HB PRO 41 -24.398 -0.960 3.833
281 HB3 PRO 41 2HB PRO 41 -23.377 -1.233 2.415
282 HG2 PRO 41 1HG PRO 41 -24.313 -3.188 4.481
283 HG3 PRO 41 2HG PRO 41 -24.231 -3.375 2.719
284 HD2 PRO 41 1HD PRO 41 -22.363 -4.411 4.384
285 HD3 PRO 41 2HD PRO 41 -21.973 -3.840 2.748
286 H SER 42 H SER 42 -22.515 1.183 5.149
287 HA SER 42 HA SER 42 -23.232 0.320 7.874
288 HB2 SER 42 1HB SER 42 -21.037 1.617 7.473
289 HB3 SER 42 2HB SER 42 -22.073 3.018 7.203
290 HG SER 42 HG SER 42 -21.690 3.087 9.332
291 H SER 43 H SER 43 -24.508 2.051 9.083
292 HA SER 43 HA SER 43 -26.534 3.067 9.329
293 HB2 SER 43 1HB SER 43 -25.278 4.947 8.377
294 HB3 SER 43 2HB SER 43 -25.680 4.404 6.749
295 HG SER 43 HG SER 43 -27.876 4.697 8.343
296 H GLY 44 H GLY 44 -26.721 0.537 8.201
297 HA2 GLY 44 1HA GLY 44 -28.450 -0.746 7.351
298 HA3 GLY 44 2HA GLY 44 -29.292 0.736 6.925
Start of MODEL 5
1 H1 GLY 1 H GLY 1 22.433 -4.828 -10.867
2 HA2 GLY 1 1HA GLY 1 21.635 -5.569 -13.479
3 HA3 GLY 1 2HA GLY 1 20.672 -6.445 -12.298
4 H SER 2 H SER 2 18.745 -5.437 -12.787
5 HA SER 2 HA SER 2 18.610 -2.526 -12.561
6 HB2 SER 2 1HB SER 2 16.847 -4.639 -13.713
7 HB3 SER 2 2HB SER 2 16.087 -3.155 -13.138
8 HG SER 2 HG SER 2 18.002 -2.222 -14.479
9 H SER 3 H SER 3 19.214 -3.783 -10.176
10 HA SER 3 HA SER 3 16.730 -3.369 -8.647
11 HB2 SER 3 1HB SER 3 18.781 -5.545 -8.401
12 HB3 SER 3 2HB SER 3 17.879 -5.027 -6.977
13 HG SER 3 HG SER 3 16.915 -6.789 -8.186
14 H GLY 4 H GLY 4 20.276 -3.568 -8.280
15 HA2 GLY 4 1HA GLY 4 21.702 -1.954 -7.387
16 HA3 GLY 4 2HA GLY 4 20.299 -0.982 -6.969
17 H SER 5 H SER 5 20.073 -0.699 -4.865
18 HA SER 5 HA SER 5 20.893 -2.883 -3.062
19 HB2 SER 5 1HB SER 5 22.202 -0.615 -3.083
20 HB3 SER 5 2HB SER 5 20.816 -0.018 -2.170
21 HG SER 5 HG SER 5 21.292 -1.364 -0.534
22 H SER 6 H SER 6 18.710 -3.698 -3.267
23 HA SER 6 HA SER 6 16.771 -2.152 -1.672
24 HB2 SER 6 1HB SER 6 16.450 -3.742 -4.168
25 HB3 SER 6 2HB SER 6 15.138 -3.808 -2.992
26 HG SER 6 HG SER 6 16.061 -1.667 -4.523
27 H GLY 7 H GLY 7 15.234 -3.453 -0.419
28 HA2 GLY 7 1HA GLY 7 15.005 -6.017 0.141
29 HA3 GLY 7 2HA GLY 7 16.615 -5.734 0.785
30 H GLU 8 H GLU 8 16.139 -3.101 1.777
31 HA GLU 8 HA GLU 8 14.840 -3.809 4.254
32 HB2 GLU 8 1HB GLU 8 15.573 -1.583 5.012
33 HB3 GLU 8 2HB GLU 8 16.895 -2.515 4.324
34 HG2 GLU 8 1HG GLU 8 16.436 -1.264 2.157
35 HG3 GLU 8 2HG GLU 8 15.442 -0.181 3.130
36 H LYS 9 H LYS 9 12.799 -4.080 2.793
37 HA LYS 9 HA LYS 9 10.696 -3.399 2.246
38 HB2 LYS 9 1HB LYS 9 11.316 -1.436 4.456
39 HB3 LYS 9 2HB LYS 9 9.721 -1.625 3.740
40 HG2 LYS 9 1HG LYS 9 9.760 -4.012 4.431
41 HG3 LYS 9 2HG LYS 9 11.278 -3.694 5.273
42 HD2 LYS 9 1HD LYS 9 8.869 -2.009 5.830
43 HD3 LYS 9 2HD LYS 9 9.033 -3.596 6.585
44 HE2 LYS 9 1HE LYS 9 10.060 -2.325 8.173
45 HE3 LYS 9 2HE LYS 9 11.450 -2.671 7.145
46 HZ1 LYS 9 3HZ LYS 9 9.995 -0.167 7.523
47 HZ2 LYS 9 1HZ LYS 9 10.611 -0.477 5.978
48 HZ3 LYS 9 2HZ LYS 9 11.652 -0.434 7.310
49 HA PRO 10 HA PRO 10 12.512 0.216 -0.199
50 HB2 PRO 10 1HB PRO 10 12.725 -1.077 -2.577
51 HB3 PRO 10 2HB PRO 10 14.025 -1.047 -1.380
52 HG2 PRO 10 1HG PRO 10 12.007 -3.188 -1.931
53 HG3 PRO 10 2HG PRO 10 13.745 -3.343 -1.617
54 HD2 PRO 10 1HD PRO 10 11.875 -3.803 0.286
55 HD3 PRO 10 2HD PRO 10 13.479 -3.144 0.664
56 H TYR 11 H TYR 11 9.958 -2.100 -0.555
57 HA TYR 11 HA TYR 11 8.495 -0.279 -2.341
58 HB2 TYR 11 1HB TYR 11 7.839 -3.157 -1.693
59 HB3 TYR 11 2HB TYR 11 7.101 -2.158 -2.940
60 HD1 TYR 11 HD1 TYR 11 8.295 -1.664 -5.009
61 HD2 TYR 11 HD2 TYR 11 10.024 -4.147 -2.018
62 HE1 TYR 11 HE1 TYR 11 9.964 -2.451 -6.636
63 HE2 TYR 11 HE2 TYR 11 11.698 -4.940 -3.636
64 HH TYR 11 HH TYR 11 12.646 -3.628 -6.096
65 H GLY 12 H GLY 12 6.672 0.710 -1.684
66 HA2 GLY 12 1HA GLY 12 5.334 -0.213 0.752
67 HA3 GLY 12 2HA GLY 12 5.976 1.423 0.748
68 H CYS 13 H CYS 13 3.207 0.507 1.004
69 HA CYS 13 HA CYS 13 1.960 1.356 -1.487
70 HB2 CYS 13 1HB CYS 13 1.050 -0.585 -0.243
71 HB3 CYS 13 2HB CYS 13 0.686 0.478 1.113
72 H ASN 14 H ASN 14 1.712 3.453 -1.850
73 HA ASN 14 HA ASN 14 1.809 5.404 0.235
74 HB2 ASN 14 1HB ASN 14 0.936 5.854 -2.622
75 HB3 ASN 14 2HB ASN 14 1.608 7.038 -1.504
76 HD21 ASN 14 1HD2 ASN 14 2.327 5.448 -4.166
77 HD22 ASN 14 2HD2 ASN 14 4.029 5.221 -3.974
78 H GLU 15 H GLU 15 -0.724 3.800 -1.554
79 HA GLU 15 HA GLU 15 -2.884 5.452 -1.205
80 HB2 GLU 15 1HB GLU 15 -2.915 2.450 -0.855
81 HB3 GLU 15 2HB GLU 15 -4.288 3.465 -1.274
82 HG2 GLU 15 1HG GLU 15 -2.909 4.144 -3.325
83 HG3 GLU 15 2HG GLU 15 -1.912 2.741 -2.943
84 H CYS 16 H CYS 16 -1.838 2.916 1.076
85 HA CYS 16 HA CYS 16 -3.333 4.325 3.187
86 HB2 CYS 16 1HB CYS 16 -3.520 2.219 4.348
87 HB3 CYS 16 2HB CYS 16 -4.056 1.988 2.687
88 H GLY 17 H GLY 17 -0.319 2.572 2.512
89 HA2 GLY 17 1HA GLY 17 1.698 3.861 3.306
90 HA3 GLY 17 2HA GLY 17 0.875 3.913 4.858
91 H LYS 18 H LYS 18 0.459 1.029 3.073
92 HA LYS 18 HA LYS 18 1.667 -0.560 5.076
93 HB2 LYS 18 1HB LYS 18 -0.170 -1.095 3.239
94 HB3 LYS 18 2HB LYS 18 1.231 -1.649 2.332
95 HG2 LYS 18 1HG LYS 18 0.329 -3.534 3.439
96 HG3 LYS 18 2HG LYS 18 1.809 -3.098 4.296
97 HD2 LYS 18 1HD LYS 18 0.101 -1.671 5.742
98 HD3 LYS 18 2HD LYS 18 -1.027 -2.899 5.164
99 HE2 LYS 18 1HE LYS 18 0.277 -4.652 6.118
100 HE3 LYS 18 2HE LYS 18 1.604 -3.549 6.478
101 HZ1 LYS 18 3HZ LYS 18 0.386 -3.983 8.473
102 HZ2 LYS 18 1HZ LYS 18 -1.082 -3.567 7.742
103 HZ3 LYS 18 2HZ LYS 18 0.091 -2.380 8.019
104 H ASP 19 H ASP 19 3.409 -2.151 4.685
105 HA ASP 19 HA ASP 19 5.463 -1.151 2.831
106 HB2 ASP 19 1HB ASP 19 6.317 -2.267 5.464
107 HB3 ASP 19 2HB ASP 19 7.110 -1.073 4.440
108 H PHE 20 H PHE 20 6.396 -2.674 1.616
109 HA PHE 20 HA PHE 20 6.179 -5.480 2.464
110 HB2 PHE 20 1HB PHE 20 5.737 -4.523 -0.370
111 HB3 PHE 20 2HB PHE 20 5.571 -6.170 0.230
112 HD1 PHE 20 HD1 PHE 20 3.653 -6.818 1.575
113 HD2 PHE 20 HD2 PHE 20 4.031 -2.876 0.014
114 HE1 PHE 20 HE1 PHE 20 1.271 -6.409 2.039
115 HE2 PHE 20 HE2 PHE 20 1.651 -2.460 0.477
116 HZ PHE 20 HZ PHE 20 0.268 -4.228 1.491
117 H SER 21 H SER 21 7.813 -6.874 1.697
118 HA SER 21 HA SER 21 10.335 -5.533 1.241
119 HB2 SER 21 1HB SER 21 9.559 -8.404 1.743
120 HB3 SER 21 2HB SER 21 11.208 -7.947 1.316
121 HG SER 21 HG SER 21 11.469 -7.036 3.223
122 H SER 22 H SER 22 8.225 -7.786 -0.487
123 HA SER 22 HA SER 22 9.947 -7.597 -2.849
124 HB2 SER 22 1HB SER 22 8.873 -9.799 -1.831
125 HB3 SER 22 2HB SER 22 7.491 -9.297 -2.805
126 HG SER 22 HG SER 22 10.133 -9.596 -3.798
127 H LYS 23 H LYS 23 9.105 -7.024 -4.895
128 HA LYS 23 HA LYS 23 7.297 -4.842 -4.843
129 HB2 LYS 23 1HB LYS 23 9.073 -4.914 -6.483
130 HB3 LYS 23 2HB LYS 23 8.452 -6.419 -7.148
131 HG2 LYS 23 1HG LYS 23 6.526 -5.324 -8.026
132 HG3 LYS 23 2HG LYS 23 6.921 -3.829 -7.173
133 HD2 LYS 23 1HD LYS 23 8.721 -3.361 -8.585
134 HD3 LYS 23 2HD LYS 23 8.823 -5.027 -9.160
135 HE2 LYS 23 1HE LYS 23 6.317 -3.514 -9.676
136 HE3 LYS 23 2HE LYS 23 7.744 -3.100 -10.624
137 HZ1 LYS 23 3HZ LYS 23 6.151 -4.904 -11.490
138 HZ2 LYS 23 1HZ LYS 23 6.903 -5.911 -10.358
139 HZ3 LYS 23 2HZ LYS 23 7.817 -5.184 -11.581
140 H SER 24 H SER 24 6.987 -8.228 -5.760
141 HA SER 24 HA SER 24 4.482 -8.119 -6.993
142 HB2 SER 24 1HB SER 24 6.220 -10.090 -6.679
143 HB3 SER 24 2HB SER 24 5.192 -10.480 -5.301
144 HG SER 24 HG SER 24 3.421 -10.561 -6.744
145 H TYR 25 H TYR 25 5.256 -8.928 -3.607
146 HA TYR 25 HA TYR 25 2.765 -9.307 -2.579
147 HB2 TYR 25 1HB TYR 25 5.101 -7.860 -1.323
148 HB3 TYR 25 2HB TYR 25 3.663 -8.345 -0.431
149 HD1 TYR 25 HD1 TYR 25 3.070 -10.999 -1.310
150 HD2 TYR 25 HD2 TYR 25 6.878 -9.197 -0.712
151 HE1 TYR 25 HE1 TYR 25 4.055 -13.220 -0.926
152 HE2 TYR 25 HE2 TYR 25 7.873 -11.413 -0.328
153 HH TYR 25 HH TYR 25 7.223 -13.635 0.320
154 H LEU 26 H LEU 26 4.298 -6.222 -3.325
155 HA LEU 26 HA LEU 26 2.284 -4.589 -2.172
156 HB2 LEU 26 1HB LEU 26 4.406 -3.615 -2.523
157 HB3 LEU 26 2HB LEU 26 4.425 -4.091 -4.220
158 HG LEU 26 HG LEU 26 2.630 -2.450 -4.664
159 HD11 LEU 26 1HD1 LEU 26 2.617 -0.683 -2.638
160 HD12 LEU 26 2HD1 LEU 26 2.767 -2.189 -1.732
161 HD13 LEU 26 3HD1 LEU 26 1.411 -1.955 -2.835
162 HD21 LEU 26 3HD2 LEU 26 4.338 -1.149 -5.220
163 HD22 LEU 26 1HD2 LEU 26 5.364 -1.939 -4.022
164 HD23 LEU 26 2HD2 LEU 26 4.392 -0.540 -3.564
165 H ILE 27 H ILE 27 3.021 -5.259 -5.601
166 HA ILE 27 HA ILE 27 0.893 -4.037 -6.796
167 HB ILE 27 HB ILE 27 2.090 -6.700 -7.571
168 HG12 ILE 27 1HG1 ILE 27 2.702 -3.923 -8.600
169 HG13 ILE 27 2HG1 ILE 27 3.673 -4.769 -7.401
170 HG21 ILE 27 1HG2 ILE 27 1.219 -6.261 -9.801
171 HG22 ILE 27 2HG2 ILE 27 -0.090 -6.331 -8.622
172 HG23 ILE 27 3HG2 ILE 27 0.469 -4.772 -9.228
173 HD11 ILE 27 3HD1 ILE 27 3.378 -5.287 -10.314
174 HD12 ILE 27 1HD1 ILE 27 4.833 -5.213 -9.320
175 HD13 ILE 27 2HD1 ILE 27 3.777 -6.624 -9.235
176 H VAL 28 H VAL 28 0.927 -7.180 -5.198
177 HA VAL 28 HA VAL 28 -1.715 -7.922 -5.954
178 HB VAL 28 HB VAL 28 -0.034 -8.896 -3.640
179 HG11 VAL 28 1HG1 VAL 28 -2.175 -10.553 -4.848
180 HG12 VAL 28 2HG1 VAL 28 -1.586 -10.496 -3.186
181 HG13 VAL 28 3HG1 VAL 28 -2.668 -9.237 -3.783
182 HG21 VAL 28 3HG2 VAL 28 1.160 -9.444 -5.568
183 HG22 VAL 28 1HG2 VAL 28 0.209 -10.894 -5.243
184 HG23 VAL 28 2HG2 VAL 28 -0.303 -9.766 -6.498
185 H HIS 29 H HIS 29 -0.326 -6.326 -3.124
186 HA HIS 29 HA HIS 29 -2.695 -6.277 -1.581
187 HB2 HIS 29 1HB HIS 29 -0.646 -5.926 -0.433
188 HB3 HIS 29 2HB HIS 29 -0.175 -4.621 -1.517
189 HD1 HIS 29 HD1 HIS 29 -2.331 -5.363 1.447
190 HD2 HIS 29 HD2 HIS 29 -1.263 -2.116 -0.915
191 HE1 HIS 29 HE1 HIS 29 -3.145 -3.332 2.687
192 H GLN 30 H GLN 30 -1.148 -3.751 -3.566
193 HA GLN 30 HA GLN 30 -2.861 -1.675 -3.266
194 HB2 GLN 30 1HB GLN 30 -1.369 -2.688 -5.654
195 HB3 GLN 30 2HB GLN 30 -2.461 -1.322 -5.838
196 HG2 GLN 30 1HG GLN 30 -1.166 -0.323 -3.838
197 HG3 GLN 30 2HG GLN 30 0.059 -1.522 -4.248
198 HE21 GLN 30 1HE2 GLN 30 0.547 1.200 -4.345
199 HE22 GLN 30 2HE2 GLN 30 0.794 1.671 -5.988
200 H ARG 31 H ARG 31 -3.585 -4.721 -4.690
201 HA ARG 31 HA ARG 31 -5.757 -4.022 -6.327
202 HB2 ARG 31 1HB ARG 31 -5.229 -6.578 -4.800
203 HB3 ARG 31 2HB ARG 31 -6.451 -6.393 -6.051
204 HG2 ARG 31 1HG ARG 31 -4.534 -5.700 -7.583
205 HG3 ARG 31 2HG ARG 31 -3.468 -6.343 -6.332
206 HD2 ARG 31 1HD ARG 31 -5.033 -8.437 -6.511
207 HD3 ARG 31 2HD ARG 31 -5.404 -7.768 -8.100
208 HE ARG 31 HE ARG 31 -2.615 -7.856 -7.757
209 HH11 ARG 31 1HH1 ARG 31 -5.341 -9.975 -8.205
210 HH12 ARG 31 2HH1 ARG 31 -4.415 -11.214 -8.987
211 HH21 ARG 31 1HH2 ARG 31 -1.386 -9.480 -8.786
212 HH22 ARG 31 2HH2 ARG 31 -2.166 -10.931 -9.316
213 H ILE 32 H ILE 32 -5.589 -4.867 -2.893
214 HA ILE 32 HA ILE 32 -8.326 -4.951 -2.352
215 HB ILE 32 HB ILE 32 -7.790 -4.705 -0.048
216 HG12 ILE 32 1HG1 ILE 32 -4.952 -3.950 -0.513
217 HG13 ILE 32 2HG1 ILE 32 -6.161 -2.690 -0.737
218 HG21 ILE 32 1HG2 ILE 32 -6.310 -6.440 -1.761
219 HG22 ILE 32 2HG2 ILE 32 -5.303 -5.996 -0.384
220 HG23 ILE 32 3HG2 ILE 32 -6.885 -6.729 -0.119
221 HD11 ILE 32 3HD1 ILE 32 -6.427 -4.258 1.730
222 HD12 ILE 32 1HD1 ILE 32 -4.975 -3.264 1.611
223 HD13 ILE 32 2HD1 ILE 32 -6.568 -2.521 1.461
224 H HIS 33 H HIS 33 -6.475 -2.346 -3.364
225 HA HIS 33 HA HIS 33 -8.292 -0.383 -2.145
226 HB2 HIS 33 1HB HIS 33 -5.578 -0.060 -3.433
227 HB3 HIS 33 2HB HIS 33 -6.591 1.297 -2.946
228 HD1 HIS 33 HD1 HIS 33 -7.307 1.113 -0.248
229 HD2 HIS 33 HD2 HIS 33 -3.835 -0.787 -1.508
230 HE1 HIS 33 HE1 HIS 33 -5.944 0.753 1.835
231 H THR 34 H THR 34 -7.256 -1.768 -5.158
232 HA THR 34 HA THR 34 -8.274 0.195 -6.912
233 HB THR 34 HB THR 34 -8.389 -1.787 -8.556
234 HG1 THR 34 HG1 THR 34 -8.321 -3.619 -7.455
235 HG21 THR 34 3HG2 THR 34 -6.100 -0.440 -7.346
236 HG22 THR 34 1HG2 THR 34 -6.478 -0.719 -9.045
237 HG23 THR 34 2HG2 THR 34 -5.682 -1.978 -8.100
238 H GLY 35 H GLY 35 -10.067 -0.497 -8.561
239 HA2 GLY 35 1HA GLY 35 -12.211 -2.114 -7.810
240 HA3 GLY 35 2HA GLY 35 -12.516 -0.515 -7.146
241 H GLU 36 H GLU 36 -11.553 1.126 -9.121
242 HA GLU 36 HA GLU 36 -13.671 1.317 -10.888
243 HB2 GLU 36 1HB GLU 36 -10.887 2.418 -10.897
244 HB3 GLU 36 2HB GLU 36 -11.916 2.661 -12.301
245 HG2 GLU 36 1HG GLU 36 -13.555 3.806 -10.966
246 HG3 GLU 36 2HG GLU 36 -12.650 3.456 -9.494
247 H LYS 37 H LYS 37 -14.290 -0.227 -12.256
248 HA LYS 37 HA LYS 37 -12.589 -2.154 -13.410
249 HB2 LYS 37 1HB LYS 37 -15.102 -2.308 -13.076
250 HB3 LYS 37 2HB LYS 37 -15.267 -1.298 -14.506
251 HG2 LYS 37 1HG LYS 37 -15.458 -3.340 -15.473
252 HG3 LYS 37 2HG LYS 37 -13.704 -3.155 -15.556
253 HD2 LYS 37 1HD LYS 37 -13.487 -4.434 -13.469
254 HD3 LYS 37 2HD LYS 37 -15.239 -4.638 -13.420
255 HE2 LYS 37 1HE LYS 37 -14.959 -5.663 -15.770
256 HE3 LYS 37 2HE LYS 37 -13.254 -5.802 -15.343
257 HZ1 LYS 37 3HZ LYS 37 -13.796 -7.704 -14.366
258 HZ2 LYS 37 1HZ LYS 37 -15.455 -7.411 -14.520
259 HZ3 LYS 37 2HZ LYS 37 -14.611 -6.808 -13.184
260 H LEU 38 H LEU 38 -13.882 0.901 -14.628
261 HA LEU 38 HA LEU 38 -13.593 1.918 -16.691
262 HB2 LEU 38 1HB LEU 38 -11.184 2.532 -16.980
263 HB3 LEU 38 2HB LEU 38 -11.871 2.895 -15.398
264 HG LEU 38 HG LEU 38 -10.800 0.577 -14.761
265 HD11 LEU 38 1HD1 LEU 38 -9.628 1.215 -17.380
266 HD12 LEU 38 2HD1 LEU 38 -9.779 -0.330 -16.545
267 HD13 LEU 38 3HD1 LEU 38 -8.475 0.778 -16.120
268 HD21 LEU 38 3HD2 LEU 38 -8.826 2.780 -15.105
269 HD22 LEU 38 1HD2 LEU 38 -9.139 1.751 -13.708
270 HD23 LEU 38 2HD2 LEU 38 -10.250 3.062 -14.103
271 H SER 39 H SER 39 -14.050 -0.814 -17.118
272 HA SER 39 HA SER 39 -12.198 -2.214 -18.608
273 HB2 SER 39 1HB SER 39 -15.183 -2.139 -18.561
274 HB3 SER 39 2HB SER 39 -14.390 -3.024 -19.864
275 HG SER 39 HG SER 39 -13.142 -4.008 -18.023
276 H GLY 40 H GLY 40 -10.973 -1.140 -20.076
277 HA2 GLY 40 1HA GLY 40 -10.897 -0.809 -22.506
278 HA3 GLY 40 2HA GLY 40 -12.421 0.053 -22.358
279 HA PRO 41 HA PRO 41 -8.793 2.832 -20.666
280 HB2 PRO 41 1HB PRO 41 -6.387 2.278 -21.796
281 HB3 PRO 41 2HB PRO 41 -6.924 1.554 -20.275
282 HG2 PRO 41 1HG PRO 41 -6.970 0.405 -23.039
283 HG3 PRO 41 2HG PRO 41 -6.505 -0.369 -21.513
284 HD2 PRO 41 1HD PRO 41 -8.929 -0.747 -22.658
285 HD3 PRO 41 2HD PRO 41 -8.692 -0.760 -20.899
286 H SER 42 H SER 42 -8.487 1.545 -23.967
287 HA SER 42 HA SER 42 -7.688 3.952 -25.186
288 HB2 SER 42 1HB SER 42 -8.468 2.857 -27.305
289 HB3 SER 42 2HB SER 42 -7.374 1.861 -26.346
290 HG SER 42 HG SER 42 -10.203 1.666 -26.254
291 H SER 43 H SER 43 -8.791 5.646 -26.018
292 HA SER 43 HA SER 43 -11.199 6.464 -25.018
293 HB2 SER 43 1HB SER 43 -11.326 8.002 -27.005
294 HB3 SER 43 2HB SER 43 -9.774 8.026 -26.168
295 HG SER 43 HG SER 43 -8.908 6.753 -27.787
296 H GLY 44 H GLY 44 -13.252 5.878 -25.265
297 HA2 GLY 44 1HA GLY 44 -14.216 4.874 -27.812
298 HA3 GLY 44 2HA GLY 44 -14.234 3.707 -26.498
Start of MODEL 6
1 H1 GLY 1 H GLY 1 25.300 10.068 -2.671
2 HA2 GLY 1 1HA GLY 1 26.930 11.584 -1.068
3 HA3 GLY 1 2HA GLY 1 25.705 12.709 -1.637
4 H SER 2 H SER 2 23.411 12.001 -1.307
5 HA SER 2 HA SER 2 23.139 10.407 1.154
6 HB2 SER 2 1HB SER 2 22.967 12.914 1.522
7 HB3 SER 2 2HB SER 2 21.495 12.870 0.552
8 HG SER 2 HG SER 2 20.565 11.517 2.071
9 H SER 3 H SER 3 22.459 8.599 -0.009
10 HA SER 3 HA SER 3 20.072 8.856 -1.673
11 HB2 SER 3 1HB SER 3 21.762 6.404 -1.130
12 HB3 SER 3 2HB SER 3 20.510 6.565 -2.361
13 HG SER 3 HG SER 3 21.819 8.238 -3.296
14 H GLY 4 H GLY 4 21.170 6.653 0.919
15 HA2 GLY 4 1HA GLY 4 19.477 6.808 2.883
16 HA3 GLY 4 2HA GLY 4 18.355 6.241 1.654
17 H SER 5 H SER 5 17.888 4.302 2.648
18 HA SER 5 HA SER 5 20.020 2.504 3.416
19 HB2 SER 5 1HB SER 5 17.009 2.237 3.432
20 HB3 SER 5 2HB SER 5 18.098 0.946 3.941
21 HG SER 5 HG SER 5 17.253 2.453 5.612
22 H SER 6 H SER 6 17.486 2.630 0.938
23 HA SER 6 HA SER 6 17.113 1.328 -0.913
24 HB2 SER 6 1HB SER 6 18.891 1.423 -2.500
25 HB3 SER 6 2HB SER 6 19.041 2.874 -1.510
26 HG SER 6 HG SER 6 20.508 1.313 -0.223
27 H GLY 7 H GLY 7 17.257 -0.264 1.359
28 HA2 GLY 7 1HA GLY 7 17.768 -2.806 0.213
29 HA3 GLY 7 2HA GLY 7 19.063 -2.378 1.321
30 H GLU 8 H GLU 8 15.640 -1.561 1.636
31 HA GLU 8 HA GLU 8 14.947 -3.633 3.409
32 HB2 GLU 8 1HB GLU 8 16.647 -2.336 4.790
33 HB3 GLU 8 2HB GLU 8 15.475 -1.026 4.829
34 HG2 GLU 8 1HG GLU 8 14.033 -2.167 6.195
35 HG3 GLU 8 2HG GLU 8 14.621 -3.747 5.678
36 H LYS 9 H LYS 9 12.880 -3.765 2.852
37 HA LYS 9 HA LYS 9 10.751 -3.190 2.262
38 HB2 LYS 9 1HB LYS 9 11.201 -1.066 4.367
39 HB3 LYS 9 2HB LYS 9 9.639 -1.630 3.788
40 HG2 LYS 9 1HG LYS 9 10.046 -3.824 4.711
41 HG3 LYS 9 2HG LYS 9 11.670 -3.342 5.207
42 HD2 LYS 9 1HD LYS 9 10.624 -1.579 6.637
43 HD3 LYS 9 2HD LYS 9 9.048 -2.269 6.242
44 HE2 LYS 9 1HE LYS 9 9.668 -3.198 8.324
45 HE3 LYS 9 2HE LYS 9 9.930 -4.465 7.126
46 HZ1 LYS 9 3HZ LYS 9 12.257 -4.062 7.165
47 HZ2 LYS 9 1HZ LYS 9 11.753 -4.203 8.774
48 HZ3 LYS 9 2HZ LYS 9 12.079 -2.678 8.121
49 HA PRO 10 HA PRO 10 12.336 0.514 -0.215
50 HB2 PRO 10 1HB PRO 10 12.605 -0.773 -2.590
51 HB3 PRO 10 2HB PRO 10 13.911 -0.661 -1.405
52 HG2 PRO 10 1HG PRO 10 12.019 -2.921 -1.930
53 HG3 PRO 10 2HG PRO 10 13.766 -2.971 -1.631
54 HD2 PRO 10 1HD PRO 10 11.943 -3.534 0.290
55 HD3 PRO 10 2HD PRO 10 13.508 -2.779 0.651
56 H TYR 11 H TYR 11 9.975 -2.017 -0.678
57 HA TYR 11 HA TYR 11 8.383 -0.289 -2.433
58 HB2 TYR 11 1HB TYR 11 7.888 -3.179 -1.697
59 HB3 TYR 11 2HB TYR 11 7.081 -2.257 -2.961
60 HD1 TYR 11 HD2 TYR 11 10.155 -4.007 -2.009
61 HD2 TYR 11 HD1 TYR 11 8.190 -1.802 -5.072
62 HE1 TYR 11 HE2 TYR 11 11.853 -4.750 -3.625
63 HE2 TYR 11 HE1 TYR 11 9.882 -2.541 -6.697
64 HH TYR 11 HH TYR 11 12.356 -3.340 -6.543
65 H GLY 12 H GLY 12 6.438 0.535 -1.843
66 HA2 GLY 12 1HA GLY 12 5.132 -0.375 0.590
67 HA3 GLY 12 2HA GLY 12 5.763 1.264 0.638
68 H CYS 13 H CYS 13 3.016 0.473 0.891
69 HA CYS 13 HA CYS 13 1.775 1.255 -1.626
70 HB2 CYS 13 1HB CYS 13 0.753 -0.589 -0.421
71 HB3 CYS 13 2HB CYS 13 0.584 0.407 1.021
72 H ASN 14 H ASN 14 0.474 3.077 -1.884
73 HA ASN 14 HA ASN 14 1.069 5.246 -0.004
74 HB2 ASN 14 1HB ASN 14 1.519 5.346 -2.570
75 HB3 ASN 14 2HB ASN 14 -0.212 5.648 -2.689
76 HD21 ASN 14 1HD2 ASN 14 2.801 6.822 -1.333
77 HD22 ASN 14 2HD2 ASN 14 2.300 8.467 -1.163
78 H GLU 15 H GLU 15 -1.586 3.546 -1.558
79 HA GLU 15 HA GLU 15 -3.740 5.130 -0.951
80 HB2 GLU 15 1HB GLU 15 -3.475 2.127 -0.932
81 HB3 GLU 15 2HB GLU 15 -5.017 2.937 -0.698
82 HG2 GLU 15 1HG GLU 15 -4.574 2.163 -3.025
83 HG3 GLU 15 2HG GLU 15 -4.953 3.878 -2.873
84 H CYS 16 H CYS 16 -2.594 2.457 1.120
85 HA CYS 16 HA CYS 16 -3.890 3.766 3.405
86 HB2 CYS 16 1HB CYS 16 -3.821 1.626 4.514
87 HB3 CYS 16 2HB CYS 16 -4.479 1.394 2.897
88 H GLY 17 H GLY 17 -0.830 2.227 2.454
89 HA2 GLY 17 1HA GLY 17 1.184 3.574 3.067
90 HA3 GLY 17 2HA GLY 17 0.469 3.693 4.668
91 H LYS 18 H LYS 18 0.149 0.718 2.947
92 HA LYS 18 HA LYS 18 1.446 -0.755 4.990
93 HB2 LYS 18 1HB LYS 18 -0.370 -1.418 3.149
94 HB3 LYS 18 2HB LYS 18 1.067 -1.966 2.297
95 HG2 LYS 18 1HG LYS 18 0.318 -3.849 3.442
96 HG3 LYS 18 2HG LYS 18 1.638 -3.235 4.438
97 HD2 LYS 18 1HD LYS 18 -1.111 -2.268 5.020
98 HD3 LYS 18 2HD LYS 18 -0.704 -3.924 5.476
99 HE2 LYS 18 1HE LYS 18 1.450 -2.705 6.448
100 HE3 LYS 18 2HE LYS 18 0.329 -1.346 6.525
101 HZ1 LYS 18 3HZ LYS 18 -1.198 -2.785 7.788
102 HZ2 LYS 18 1HZ LYS 18 0.274 -2.540 8.585
103 HZ3 LYS 18 2HZ LYS 18 -0.026 -4.006 7.796
104 H ASP 19 H ASP 19 3.255 -2.285 4.594
105 HA ASP 19 HA ASP 19 5.239 -1.221 2.701
106 HB2 ASP 19 1HB ASP 19 6.162 -2.220 5.360
107 HB3 ASP 19 2HB ASP 19 6.905 -1.036 4.288
108 H PHE 20 H PHE 20 6.333 -2.718 1.569
109 HA PHE 20 HA PHE 20 6.239 -5.510 2.471
110 HB2 PHE 20 1HB PHE 20 5.719 -4.663 -0.384
111 HB3 PHE 20 2HB PHE 20 5.642 -6.297 0.269
112 HD1 PHE 20 HD2 PHE 20 3.952 -3.064 0.041
113 HD2 PHE 20 HD1 PHE 20 3.754 -7.028 1.579
114 HE1 PHE 20 HE2 PHE 20 1.558 -2.756 0.515
115 HE2 PHE 20 HE1 PHE 20 1.359 -6.727 2.055
116 HZ PHE 20 HZ PHE 20 0.258 -4.588 1.525
117 H SER 21 H SER 21 7.995 -6.773 1.896
118 HA SER 21 HA SER 21 10.424 -5.354 1.388
119 HB2 SER 21 1HB SER 21 10.296 -7.332 2.889
120 HB3 SER 21 2HB SER 21 9.960 -8.345 1.485
121 HG SER 21 HG SER 21 12.046 -7.284 0.695
122 H SER 22 H SER 22 8.491 -7.705 -0.435
123 HA SER 22 HA SER 22 10.223 -7.409 -2.755
124 HB2 SER 22 1HB SER 22 9.010 -9.592 -1.859
125 HB3 SER 22 2HB SER 22 7.686 -8.985 -2.852
126 HG SER 22 HG SER 22 8.847 -10.177 -4.239
127 H LYS 23 H LYS 23 8.832 -7.392 -4.921
128 HA LYS 23 HA LYS 23 7.333 -4.888 -4.821
129 HB2 LYS 23 1HB LYS 23 9.092 -4.940 -6.453
130 HB3 LYS 23 2HB LYS 23 8.516 -6.468 -7.106
131 HG2 LYS 23 1HG LYS 23 7.840 -4.837 -8.645
132 HG3 LYS 23 2HG LYS 23 6.387 -5.237 -7.725
133 HD2 LYS 23 1HD LYS 23 7.129 -3.239 -6.221
134 HD3 LYS 23 2HD LYS 23 8.074 -2.768 -7.636
135 HE2 LYS 23 1HE LYS 23 5.199 -3.470 -7.989
136 HE3 LYS 23 2HE LYS 23 5.612 -1.905 -7.291
137 HZ1 LYS 23 3HZ LYS 23 5.876 -1.198 -9.363
138 HZ2 LYS 23 1HZ LYS 23 5.758 -2.761 -10.001
139 HZ3 LYS 23 2HZ LYS 23 7.254 -2.173 -9.473
140 H SER 24 H SER 24 6.971 -8.243 -5.869
141 HA SER 24 HA SER 24 4.424 -8.005 -7.026
142 HB2 SER 24 1HB SER 24 4.392 -10.338 -7.109
143 HB3 SER 24 2HB SER 24 6.119 -9.987 -7.063
144 HG SER 24 HG SER 24 5.851 -10.239 -4.689
145 H TYR 25 H TYR 25 5.438 -8.668 -3.708
146 HA TYR 25 HA TYR 25 2.965 -9.315 -2.606
147 HB2 TYR 25 1HB TYR 25 5.381 -7.957 -1.412
148 HB3 TYR 25 2HB TYR 25 3.972 -8.401 -0.454
149 HD1 TYR 25 HD1 TYR 25 3.228 -11.011 -1.408
150 HD2 TYR 25 HD2 TYR 25 7.120 -9.378 -0.869
151 HE1 TYR 25 HE1 TYR 25 4.134 -13.280 -1.122
152 HE2 TYR 25 HE2 TYR 25 8.037 -11.643 -0.583
153 HH TYR 25 HH TYR 25 6.126 -14.489 -1.184
154 H LEU 26 H LEU 26 4.326 -6.217 -3.468
155 HA LEU 26 HA LEU 26 2.357 -4.670 -2.061
156 HB2 LEU 26 1HB LEU 26 4.420 -3.601 -2.379
157 HB3 LEU 26 2HB LEU 26 4.476 -4.033 -4.087
158 HG LEU 26 HG LEU 26 2.654 -2.429 -4.525
159 HD11 LEU 26 1HD1 LEU 26 2.276 -0.732 -2.643
160 HD12 LEU 26 2HD1 LEU 26 2.890 -1.988 -1.569
161 HD13 LEU 26 3HD1 LEU 26 1.446 -2.284 -2.536
162 HD21 LEU 26 3HD2 LEU 26 4.059 -0.354 -3.823
163 HD22 LEU 26 1HD2 LEU 26 4.715 -1.504 -4.988
164 HD23 LEU 26 2HD2 LEU 26 5.239 -1.559 -3.305
165 H ILE 27 H ILE 27 3.026 -5.148 -5.535
166 HA ILE 27 HA ILE 27 0.840 -3.892 -6.603
167 HB ILE 27 HB ILE 27 2.092 -6.459 -7.584
168 HG12 ILE 27 1HG1 ILE 27 2.611 -3.617 -8.471
169 HG13 ILE 27 2HG1 ILE 27 3.606 -4.465 -7.293
170 HG21 ILE 27 1HG2 ILE 27 0.639 -4.481 -9.299
171 HG22 ILE 27 2HG2 ILE 27 1.032 -6.167 -9.632
172 HG23 ILE 27 3HG2 ILE 27 -0.231 -5.769 -8.468
173 HD11 ILE 27 3HD1 ILE 27 4.322 -6.040 -8.909
174 HD12 ILE 27 1HD1 ILE 27 3.130 -5.476 -10.080
175 HD13 ILE 27 2HD1 ILE 27 4.486 -4.440 -9.632
176 H VAL 28 H VAL 28 0.996 -7.094 -5.157
177 HA VAL 28 HA VAL 28 -1.612 -7.917 -5.940
178 HB VAL 28 HB VAL 28 0.111 -8.891 -3.657
179 HG11 VAL 28 1HG1 VAL 28 -2.000 -10.566 -4.910
180 HG12 VAL 28 2HG1 VAL 28 -1.364 -10.589 -3.264
181 HG13 VAL 28 3HG1 VAL 28 -2.495 -9.328 -3.756
182 HG21 VAL 28 3HG2 VAL 28 0.767 -9.057 -6.233
183 HG22 VAL 28 1HG2 VAL 28 1.114 -10.349 -5.084
184 HG23 VAL 28 2HG2 VAL 28 -0.295 -10.462 -6.139
185 H HIS 29 H HIS 29 -0.296 -6.339 -3.067
186 HA HIS 29 HA HIS 29 -2.721 -6.417 -1.577
187 HB2 HIS 29 1HB HIS 29 -0.808 -6.152 -0.258
188 HB3 HIS 29 2HB HIS 29 -0.136 -4.911 -1.312
189 HD1 HIS 29 HD1 HIS 29 -2.440 -5.407 1.564
190 HD2 HIS 29 HD2 HIS 29 -1.148 -2.308 -0.884
191 HE1 HIS 29 HE1 HIS 29 -3.178 -3.293 2.709
192 H GLN 30 H GLN 30 -1.104 -3.860 -3.448
193 HA GLN 30 HA GLN 30 -2.767 -1.744 -3.048
194 HB2 GLN 30 1HB GLN 30 -1.292 -2.678 -5.485
195 HB3 GLN 30 2HB GLN 30 -2.315 -1.251 -5.572
196 HG2 GLN 30 1HG GLN 30 -0.966 -0.485 -3.488
197 HG3 GLN 30 2HG GLN 30 0.205 -1.682 -4.039
198 HE21 GLN 30 1HE2 GLN 30 1.163 0.730 -3.973
199 HE22 GLN 30 2HE2 GLN 30 1.251 1.458 -5.537
200 H ARG 31 H ARG 31 -3.527 -4.699 -4.646
201 HA ARG 31 HA ARG 31 -5.655 -3.887 -6.277
202 HB2 ARG 31 1HB ARG 31 -5.243 -6.509 -4.829
203 HB3 ARG 31 2HB ARG 31 -6.415 -6.242 -6.113
204 HG2 ARG 31 1HG ARG 31 -4.666 -5.836 -7.705
205 HG3 ARG 31 2HG ARG 31 -3.442 -5.905 -6.434
206 HD2 ARG 31 1HD ARG 31 -3.320 -8.013 -7.402
207 HD3 ARG 31 2HD ARG 31 -4.349 -8.276 -5.995
208 HE ARG 31 HE ARG 31 -6.128 -8.693 -7.399
209 HH11 ARG 31 1HH1 ARG 31 -3.444 -7.429 -9.220
210 HH12 ARG 31 2HH1 ARG 31 -4.149 -7.794 -10.760
211 HH21 ARG 31 1HH2 ARG 31 -7.067 -9.178 -9.420
212 HH22 ARG 31 2HH2 ARG 31 -6.210 -8.788 -10.873
213 H ILE 32 H ILE 32 -5.537 -4.738 -2.857
214 HA ILE 32 HA ILE 32 -8.256 -4.883 -2.307
215 HB ILE 32 HB ILE 32 -7.740 -4.592 -0.033
216 HG12 ILE 32 1HG1 ILE 32 -5.103 -3.306 -0.742
217 HG13 ILE 32 2HG1 ILE 32 -6.564 -2.371 -0.442
218 HG21 ILE 32 1HG2 ILE 32 -6.589 -6.488 -0.060
219 HG22 ILE 32 2HG2 ILE 32 -6.009 -6.144 -1.689
220 HG23 ILE 32 3HG2 ILE 32 -5.107 -5.562 -0.291
221 HD11 ILE 32 3HD1 ILE 32 -5.557 -2.319 1.610
222 HD12 ILE 32 1HD1 ILE 32 -6.615 -3.718 1.790
223 HD13 ILE 32 2HD1 ILE 32 -4.898 -3.947 1.452
224 H HIS 33 H HIS 33 -6.477 -2.223 -3.373
225 HA HIS 33 HA HIS 33 -8.448 -0.317 -2.310
226 HB2 HIS 33 1HB HIS 33 -5.690 0.120 -3.467
227 HB3 HIS 33 2HB HIS 33 -6.792 1.426 -3.041
228 HD1 HIS 33 HD1 HIS 33 -7.640 1.178 -0.368
229 HD2 HIS 33 HD2 HIS 33 -3.976 -0.443 -1.466
230 HE1 HIS 33 HE1 HIS 33 -6.349 0.924 1.775
231 H THR 34 H THR 34 -7.019 -1.580 -5.252
232 HA THR 34 HA THR 34 -8.013 0.214 -7.123
233 HB THR 34 HB THR 34 -7.999 -1.748 -8.721
234 HG1 THR 34 HG1 THR 34 -7.899 -3.686 -7.893
235 HG21 THR 34 3HG2 THR 34 -5.401 -1.910 -7.341
236 HG22 THR 34 1HG2 THR 34 -5.949 -0.279 -7.727
237 HG23 THR 34 2HG2 THR 34 -5.774 -1.477 -9.010
238 H GLY 35 H GLY 35 -9.714 -0.561 -8.847
239 HA2 GLY 35 1HA GLY 35 -12.082 -1.654 -7.484
240 HA3 GLY 35 2HA GLY 35 -12.194 -0.099 -8.296
241 H GLU 36 H GLU 36 -11.515 -3.530 -8.812
242 HA GLU 36 HA GLU 36 -12.548 -3.221 -11.552
243 HB2 GLU 36 1HB GLU 36 -10.212 -4.885 -10.613
244 HB3 GLU 36 2HB GLU 36 -10.993 -5.123 -12.170
245 HG2 GLU 36 1HG GLU 36 -10.248 -3.095 -13.002
246 HG3 GLU 36 2HG GLU 36 -9.954 -2.432 -11.396
247 H LYS 37 H LYS 37 -14.603 -3.917 -11.035
248 HA LYS 37 HA LYS 37 -16.290 -5.403 -10.691
249 HB2 LYS 37 1HB LYS 37 -14.020 -7.135 -11.539
250 HB3 LYS 37 2HB LYS 37 -15.438 -7.923 -10.861
251 HG2 LYS 37 1HG LYS 37 -16.822 -6.714 -12.551
252 HG3 LYS 37 2HG LYS 37 -15.320 -6.150 -13.288
253 HD2 LYS 37 1HD LYS 37 -15.755 -8.030 -14.543
254 HD3 LYS 37 2HD LYS 37 -14.714 -8.697 -13.283
255 HE2 LYS 37 1HE LYS 37 -16.939 -9.144 -12.032
256 HE3 LYS 37 2HE LYS 37 -17.680 -8.944 -13.619
257 HZ1 LYS 37 3HZ LYS 37 -15.412 -10.686 -13.683
258 HZ2 LYS 37 1HZ LYS 37 -16.985 -10.945 -14.249
259 HZ3 LYS 37 2HZ LYS 37 -16.610 -11.245 -12.628
260 H LEU 38 H LEU 38 -15.112 -4.356 -8.409
261 HA LEU 38 HA LEU 38 -15.177 -6.634 -6.542
262 HB2 LEU 38 1HB LEU 38 -13.610 -4.109 -6.582
263 HB3 LEU 38 2HB LEU 38 -14.088 -4.763 -5.017
264 HG LEU 38 HG LEU 38 -12.637 -6.467 -7.011
265 HD11 LEU 38 1HD1 LEU 38 -11.589 -4.090 -6.062
266 HD12 LEU 38 2HD1 LEU 38 -10.679 -5.456 -6.706
267 HD13 LEU 38 3HD1 LEU 38 -10.939 -5.311 -4.968
268 HD21 LEU 38 3HD2 LEU 38 -11.819 -7.034 -4.434
269 HD22 LEU 38 1HD2 LEU 38 -13.008 -7.934 -5.376
270 HD23 LEU 38 2HD2 LEU 38 -13.537 -6.676 -4.259
271 H SER 39 H SER 39 -16.261 -6.334 -4.526
272 HA SER 39 HA SER 39 -18.766 -5.079 -4.751
273 HB2 SER 39 1HB SER 39 -19.008 -5.618 -2.329
274 HB3 SER 39 2HB SER 39 -18.461 -6.993 -3.289
275 HG SER 39 HG SER 39 -16.269 -6.247 -2.624
276 H GLY 40 H GLY 40 -15.920 -4.200 -2.792
277 HA2 GLY 40 1HA GLY 40 -15.225 -1.871 -2.717
278 HA3 GLY 40 2HA GLY 40 -16.923 -1.424 -2.793
279 HA PRO 41 HA PRO 41 -15.671 -1.106 1.625
280 HB2 PRO 41 1HB PRO 41 -17.116 1.143 2.096
281 HB3 PRO 41 2HB PRO 41 -15.480 1.175 1.429
282 HG2 PRO 41 1HG PRO 41 -18.107 1.405 0.013
283 HG3 PRO 41 2HG PRO 41 -16.618 2.336 -0.233
284 HD2 PRO 41 1HD PRO 41 -17.340 0.287 -1.849
285 HD3 PRO 41 2HD PRO 41 -15.643 0.678 -1.503
286 H SER 42 H SER 42 -16.818 -1.821 3.361
287 HA SER 42 HA SER 42 -19.079 -3.317 3.122
288 HB2 SER 42 1HB SER 42 -17.534 -3.106 5.141
289 HB3 SER 42 2HB SER 42 -18.510 -1.717 5.618
290 HG SER 42 HG SER 42 -19.748 -4.168 5.014
291 H SER 43 H SER 43 -21.292 -3.014 3.746
292 HA SER 43 HA SER 43 -22.229 -0.229 3.596
293 HB2 SER 43 1HB SER 43 -23.940 -0.785 2.040
294 HB3 SER 43 2HB SER 43 -22.464 -1.510 1.404
295 HG SER 43 HG SER 43 -23.221 -3.463 1.820
296 H GLY 44 H GLY 44 -23.017 -3.574 4.469
297 HA2 GLY 44 1HA GLY 44 -24.133 -2.800 6.966
298 HA3 GLY 44 2HA GLY 44 -25.408 -3.158 5.810
Start of MODEL 7
1 H1 GLY 1 H GLY 1 26.347 -1.756 -9.860
2 HA2 GLY 1 1HA GLY 1 24.895 -0.484 -8.274
3 HA3 GLY 1 2HA GLY 1 25.063 0.865 -9.388
4 H SER 2 H SER 2 22.726 0.879 -9.443
5 HA SER 2 HA SER 2 20.645 0.184 -10.153
6 HB2 SER 2 1HB SER 2 22.426 -0.081 -12.577
7 HB3 SER 2 2HB SER 2 20.671 -0.232 -12.666
8 HG SER 2 HG SER 2 21.653 1.931 -13.036
9 H SER 3 H SER 3 21.832 -1.887 -8.741
10 HA SER 3 HA SER 3 20.464 -4.150 -9.888
11 HB2 SER 3 1HB SER 3 23.451 -4.015 -9.759
12 HB3 SER 3 2HB SER 3 22.652 -5.559 -9.463
13 HG SER 3 HG SER 3 23.085 -4.286 -11.799
14 H GLY 4 H GLY 4 20.252 -5.930 -8.388
15 HA2 GLY 4 1HA GLY 4 20.795 -6.812 -6.157
16 HA3 GLY 4 2HA GLY 4 20.829 -5.147 -5.598
17 H SER 5 H SER 5 18.856 -7.880 -6.334
18 HA SER 5 HA SER 5 16.355 -6.469 -6.066
19 HB2 SER 5 1HB SER 5 16.717 -8.549 -7.485
20 HB3 SER 5 2HB SER 5 16.761 -9.461 -5.976
21 HG SER 5 HG SER 5 14.665 -9.036 -5.635
22 H SER 6 H SER 6 17.938 -5.973 -3.861
23 HA SER 6 HA SER 6 16.225 -6.940 -1.747
24 HB2 SER 6 1HB SER 6 19.098 -7.774 -1.979
25 HB3 SER 6 2HB SER 6 18.375 -7.554 -0.386
26 HG SER 6 HG SER 6 18.022 -9.563 -2.199
27 H GLY 7 H GLY 7 15.810 -5.276 -0.456
28 HA2 GLY 7 1HA GLY 7 17.934 -3.344 0.130
29 HA3 GLY 7 2HA GLY 7 16.450 -2.738 -0.589
30 H GLU 8 H GLU 8 16.108 -1.438 1.271
31 HA GLU 8 HA GLU 8 15.224 -2.963 3.634
32 HB2 GLU 8 1HB GLU 8 15.656 -0.841 4.913
33 HB3 GLU 8 2HB GLU 8 17.092 -1.628 4.275
34 HG2 GLU 8 1HG GLU 8 15.780 0.520 2.683
35 HG3 GLU 8 2HG GLU 8 16.782 0.952 4.067
36 H LYS 9 H LYS 9 13.170 -3.167 2.469
37 HA LYS 9 HA LYS 9 10.987 -2.618 2.143
38 HB2 LYS 9 1HB LYS 9 11.574 -0.360 4.067
39 HB3 LYS 9 2HB LYS 9 9.984 -0.982 3.647
40 HG2 LYS 9 1HG LYS 9 10.726 -3.197 4.588
41 HG3 LYS 9 2HG LYS 9 12.150 -2.359 5.210
42 HD2 LYS 9 1HD LYS 9 10.831 -0.968 6.606
43 HD3 LYS 9 2HD LYS 9 9.338 -1.464 5.806
44 HE2 LYS 9 1HE LYS 9 9.934 -3.828 6.618
45 HE3 LYS 9 2HE LYS 9 11.070 -3.022 7.698
46 HZ1 LYS 9 3HZ LYS 9 8.469 -3.491 8.246
47 HZ2 LYS 9 1HZ LYS 9 8.429 -1.880 7.733
48 HZ3 LYS 9 2HZ LYS 9 9.428 -2.333 9.020
49 HA PRO 10 HA PRO 10 12.442 0.898 -0.661
50 HB2 PRO 10 1HB PRO 10 12.508 -0.535 -2.965
51 HB3 PRO 10 2HB PRO 10 13.902 -0.383 -1.888
52 HG2 PRO 10 1HG PRO 10 11.933 -2.625 -2.133
53 HG3 PRO 10 2HG PRO 10 13.696 -2.698 -1.961
54 HD2 PRO 10 1HD PRO 10 12.011 -3.102 0.119
55 HD3 PRO 10 2HD PRO 10 13.613 -2.364 0.318
56 H TYR 11 H TYR 11 10.036 -1.645 -0.889
57 HA TYR 11 HA TYR 11 8.316 0.107 -2.504
58 HB2 TYR 11 1HB TYR 11 7.892 -2.819 -1.881
59 HB3 TYR 11 2HB TYR 11 7.049 -1.852 -3.085
60 HD1 TYR 11 HD1 TYR 11 8.172 -1.211 -5.173
61 HD2 TYR 11 HD2 TYR 11 10.080 -3.721 -2.316
62 HE1 TYR 11 HE1 TYR 11 9.824 -1.876 -6.870
63 HE2 TYR 11 HE2 TYR 11 11.738 -4.393 -4.005
64 HH TYR 11 HH TYR 11 12.660 -3.675 -6.067
65 H GLY 12 H GLY 12 6.192 0.560 -1.869
66 HA2 GLY 12 1HA GLY 12 5.168 -0.395 0.651
67 HA3 GLY 12 2HA GLY 12 5.693 1.281 0.703
68 H CYS 13 H CYS 13 3.025 0.297 1.103
69 HA CYS 13 HA CYS 13 1.605 1.153 -1.307
70 HB2 CYS 13 1HB CYS 13 0.889 -0.937 -0.187
71 HB3 CYS 13 2HB CYS 13 0.516 -0.012 1.264
72 H ASN 14 H ASN 14 0.858 3.152 -1.509
73 HA ASN 14 HA ASN 14 1.000 4.981 0.728
74 HB2 ASN 14 1HB ASN 14 0.635 5.220 -2.216
75 HB3 ASN 14 2HB ASN 14 -0.015 6.515 -1.215
76 HD21 ASN 14 1HD2 ASN 14 1.380 8.115 -1.635
77 HD22 ASN 14 2HD2 ASN 14 3.079 8.045 -1.332
78 H GLU 15 H GLU 15 -1.449 3.345 -1.163
79 HA GLU 15 HA GLU 15 -3.728 4.745 -0.636
80 HB2 GLU 15 1HB GLU 15 -3.247 1.776 -0.741
81 HB3 GLU 15 2HB GLU 15 -4.859 2.439 -0.506
82 HG2 GLU 15 1HG GLU 15 -3.050 2.861 -2.871
83 HG3 GLU 15 2HG GLU 15 -4.552 1.939 -2.824
84 H CYS 16 H CYS 16 -2.463 2.141 1.450
85 HA CYS 16 HA CYS 16 -4.066 3.221 3.659
86 HB2 CYS 16 1HB CYS 16 -3.817 1.071 4.727
87 HB3 CYS 16 2HB CYS 16 -4.341 0.814 3.066
88 H GLY 17 H GLY 17 -0.787 2.084 2.897
89 HA2 GLY 17 1HA GLY 17 1.025 3.597 3.671
90 HA3 GLY 17 2HA GLY 17 0.174 3.658 5.207
91 H LYS 18 H LYS 18 0.511 0.722 3.334
92 HA LYS 18 HA LYS 18 2.009 -0.460 5.547
93 HB2 LYS 18 1HB LYS 18 -0.078 -1.535 4.590
94 HB3 LYS 18 2HB LYS 18 0.860 -1.875 3.142
95 HG2 LYS 18 1HG LYS 18 2.202 -3.423 4.213
96 HG3 LYS 18 2HG LYS 18 1.850 -2.770 5.815
97 HD2 LYS 18 1HD LYS 18 -0.345 -3.968 4.174
98 HD3 LYS 18 2HD LYS 18 0.764 -5.016 5.063
99 HE2 LYS 18 1HE LYS 18 0.121 -4.111 7.136
100 HE3 LYS 18 2HE LYS 18 -0.663 -2.724 6.381
101 HZ1 LYS 18 3HZ LYS 18 -2.142 -4.570 5.324
102 HZ2 LYS 18 1HZ LYS 18 -2.452 -4.026 6.896
103 HZ3 LYS 18 2HZ LYS 18 -1.627 -5.483 6.652
104 H ASP 19 H ASP 19 3.601 -2.254 4.762
105 HA ASP 19 HA ASP 19 5.211 -1.231 2.524
106 HB2 ASP 19 1HB ASP 19 6.179 -0.479 4.685
107 HB3 ASP 19 2HB ASP 19 6.325 -2.164 5.177
108 H PHE 20 H PHE 20 6.638 -2.800 1.557
109 HA PHE 20 HA PHE 20 6.200 -5.593 2.249
110 HB2 PHE 20 1HB PHE 20 5.638 -4.582 -0.545
111 HB3 PHE 20 2HB PHE 20 5.478 -6.238 0.032
112 HD1 PHE 20 HD2 PHE 20 4.159 -2.808 0.591
113 HD2 PHE 20 HD1 PHE 20 3.440 -6.997 0.822
114 HE1 PHE 20 HE2 PHE 20 1.811 -2.369 1.182
115 HE2 PHE 20 HE1 PHE 20 1.091 -6.565 1.412
116 HZ PHE 20 HZ PHE 20 0.274 -4.248 1.594
117 H SER 21 H SER 21 8.045 -6.682 2.095
118 HA SER 21 HA SER 21 10.463 -5.512 1.363
119 HB2 SER 21 1HB SER 21 9.584 -8.336 1.839
120 HB3 SER 21 2HB SER 21 11.199 -8.031 1.200
121 HG SER 21 HG SER 21 11.504 -6.617 3.028
122 H SER 22 H SER 22 8.301 -7.610 -0.487
123 HA SER 22 HA SER 22 9.973 -7.160 -2.866
124 HB2 SER 22 1HB SER 22 7.957 -9.327 -2.245
125 HB3 SER 22 2HB SER 22 8.708 -9.114 -3.827
126 HG SER 22 HG SER 22 9.819 -10.008 -1.426
127 H LYS 23 H LYS 23 8.970 -6.614 -4.853
128 HA LYS 23 HA LYS 23 6.913 -4.687 -4.627
129 HB2 LYS 23 1HB LYS 23 8.647 -4.581 -6.362
130 HB3 LYS 23 2HB LYS 23 8.013 -6.049 -7.094
131 HG2 LYS 23 1HG LYS 23 6.189 -4.988 -7.977
132 HG3 LYS 23 2HG LYS 23 6.185 -3.729 -6.740
133 HD2 LYS 23 1HD LYS 23 8.485 -3.093 -7.849
134 HD3 LYS 23 2HD LYS 23 7.800 -3.942 -9.237
135 HE2 LYS 23 1HE LYS 23 7.300 -1.587 -9.404
136 HE3 LYS 23 2HE LYS 23 5.812 -2.484 -9.103
137 HZ1 LYS 23 3HZ LYS 23 6.637 -1.876 -6.613
138 HZ2 LYS 23 1HZ LYS 23 5.503 -0.984 -7.497
139 HZ3 LYS 23 2HZ LYS 23 7.125 -0.504 -7.473
140 H SER 24 H SER 24 6.956 -8.035 -5.754
141 HA SER 24 HA SER 24 4.443 -8.248 -6.860
142 HB2 SER 24 1HB SER 24 4.529 -10.661 -6.000
143 HB3 SER 24 2HB SER 24 5.864 -10.135 -7.024
144 HG SER 24 HG SER 24 6.649 -9.531 -4.650
145 H TYR 25 H TYR 25 5.254 -9.038 -3.475
146 HA TYR 25 HA TYR 25 2.735 -9.495 -2.503
147 HB2 TYR 25 1HB TYR 25 5.023 -8.100 -1.100
148 HB3 TYR 25 2HB TYR 25 3.603 -8.756 -0.292
149 HD1 TYR 25 HD1 TYR 25 3.202 -11.328 -1.558
150 HD2 TYR 25 HD2 TYR 25 6.840 -9.397 -0.489
151 HE1 TYR 25 HE1 TYR 25 4.307 -13.519 -1.386
152 HE2 TYR 25 HE2 TYR 25 7.955 -11.583 -0.315
153 HH TYR 25 HH TYR 25 7.535 -13.852 -0.105
154 H LEU 26 H LEU 26 4.223 -6.430 -3.270
155 HA LEU 26 HA LEU 26 2.214 -4.837 -1.978
156 HB2 LEU 26 1HB LEU 26 4.397 -3.907 -2.216
157 HB3 LEU 26 2HB LEU 26 4.389 -4.190 -3.956
158 HG LEU 26 HG LEU 26 2.594 -2.487 -4.172
159 HD11 LEU 26 1HD1 LEU 26 3.165 -2.011 -1.250
160 HD12 LEU 26 2HD1 LEU 26 1.663 -2.633 -1.933
161 HD13 LEU 26 3HD1 LEU 26 2.174 -0.983 -2.286
162 HD21 LEU 26 3HD2 LEU 26 4.975 -1.939 -4.508
163 HD22 LEU 26 1HD2 LEU 26 5.092 -1.491 -2.806
164 HD23 LEU 26 2HD2 LEU 26 4.045 -0.573 -3.890
165 H ILE 27 H ILE 27 3.091 -5.236 -5.417
166 HA ILE 27 HA ILE 27 0.997 -3.951 -6.598
167 HB ILE 27 HB ILE 27 2.295 -6.520 -7.508
168 HG12 ILE 27 1HG1 ILE 27 2.786 -3.656 -8.348
169 HG13 ILE 27 2HG1 ILE 27 3.788 -4.546 -7.208
170 HG21 ILE 27 1HG2 ILE 27 0.058 -5.048 -8.595
171 HG22 ILE 27 2HG2 ILE 27 1.398 -5.128 -9.737
172 HG23 ILE 27 3HG2 ILE 27 0.716 -6.612 -9.073
173 HD11 ILE 27 3HD1 ILE 27 4.831 -4.544 -9.365
174 HD12 ILE 27 1HD1 ILE 27 4.288 -6.179 -8.988
175 HD13 ILE 27 2HD1 ILE 27 3.369 -5.182 -10.117
176 H VAL 28 H VAL 28 0.991 -7.175 -5.187
177 HA VAL 28 HA VAL 28 -1.612 -7.885 -6.118
178 HB VAL 28 HB VAL 28 0.011 -9.022 -3.838
179 HG11 VAL 28 1HG1 VAL 28 -1.596 -10.540 -3.434
180 HG12 VAL 28 2HG1 VAL 28 -2.662 -9.354 -4.191
181 HG13 VAL 28 3HG1 VAL 28 -2.018 -10.695 -5.139
182 HG21 VAL 28 3HG2 VAL 28 -0.152 -10.837 -5.958
183 HG22 VAL 28 1HG2 VAL 28 0.201 -9.275 -6.699
184 HG23 VAL 28 2HG2 VAL 28 1.262 -9.917 -5.445
185 H HIS 29 H HIS 29 -0.339 -6.440 -3.165
186 HA HIS 29 HA HIS 29 -2.798 -6.522 -1.730
187 HB2 HIS 29 1HB HIS 29 -0.775 -6.359 -0.466
188 HB3 HIS 29 2HB HIS 29 -0.266 -4.922 -1.348
189 HD1 HIS 29 HD1 HIS 29 -2.467 -6.048 1.440
190 HD2 HIS 29 HD2 HIS 29 -1.484 -2.521 -0.525
191 HE1 HIS 29 HE1 HIS 29 -3.375 -4.199 2.882
192 H GLN 30 H GLN 30 -1.053 -3.857 -3.332
193 HA GLN 30 HA GLN 30 -2.707 -1.761 -2.942
194 HB2 GLN 30 1HB GLN 30 -1.203 -2.604 -5.401
195 HB3 GLN 30 2HB GLN 30 -2.155 -1.126 -5.395
196 HG2 GLN 30 1HG GLN 30 -0.844 -0.286 -3.515
197 HG3 GLN 30 2HG GLN 30 0.110 -1.769 -3.519
198 HE21 GLN 30 1HE2 GLN 30 1.678 0.196 -3.704
199 HE22 GLN 30 2HE2 GLN 30 2.184 0.564 -5.314
200 H ARG 31 H ARG 31 -3.447 -4.618 -4.730
201 HA ARG 31 HA ARG 31 -5.513 -3.692 -6.375
202 HB2 ARG 31 1HB ARG 31 -5.248 -6.398 -5.050
203 HB3 ARG 31 2HB ARG 31 -6.283 -6.023 -6.422
204 HG2 ARG 31 1HG ARG 31 -4.201 -5.375 -7.676
205 HG3 ARG 31 2HG ARG 31 -3.281 -6.059 -6.335
206 HD2 ARG 31 1HD ARG 31 -4.665 -8.177 -6.705
207 HD3 ARG 31 2HD ARG 31 -5.135 -7.453 -8.242
208 HE ARG 31 HE ARG 31 -2.463 -7.295 -8.351
209 HH11 ARG 31 1HH1 ARG 31 -4.600 -9.917 -7.526
210 HH12 ARG 31 2HH1 ARG 31 -3.524 -11.147 -8.099
211 HH21 ARG 31 1HH2 ARG 31 -1.037 -8.906 -9.109
212 HH22 ARG 31 2HH2 ARG 31 -1.497 -10.572 -8.998
213 H ILE 32 H ILE 32 -5.574 -4.880 -3.037
214 HA ILE 32 HA ILE 32 -8.323 -4.898 -2.626
215 HB ILE 32 HB ILE 32 -7.895 -4.825 -0.285
216 HG12 ILE 32 1HG1 ILE 32 -5.016 -4.137 -0.571
217 HG13 ILE 32 2HG1 ILE 32 -6.175 -2.825 -0.751
218 HG21 ILE 32 1HG2 ILE 32 -7.168 -6.904 -0.689
219 HG22 ILE 32 2HG2 ILE 32 -6.156 -6.388 -2.037
220 HG23 ILE 32 3HG2 ILE 32 -5.561 -6.243 -0.384
221 HD11 ILE 32 3HD1 ILE 32 -6.673 -2.800 1.433
222 HD12 ILE 32 1HD1 ILE 32 -6.600 -4.556 1.580
223 HD13 ILE 32 2HD1 ILE 32 -5.113 -3.606 1.596
224 H HIS 33 H HIS 33 -6.332 -2.267 -3.299
225 HA HIS 33 HA HIS 33 -8.257 -0.373 -2.126
226 HB2 HIS 33 1HB HIS 33 -5.395 0.079 -2.999
227 HB3 HIS 33 2HB HIS 33 -6.466 1.324 -2.362
228 HD1 HIS 33 HD1 HIS 33 -7.526 0.427 0.145
229 HD2 HIS 33 HD2 HIS 33 -3.752 -0.815 -1.067
230 HE1 HIS 33 HE1 HIS 33 -6.346 -0.285 2.248
231 H THR 34 H THR 34 -8.319 -1.922 -4.739
232 HA THR 34 HA THR 34 -8.652 0.405 -6.518
233 HB THR 34 HB THR 34 -8.099 -0.958 -8.421
234 HG1 THR 34 HG1 THR 34 -8.521 -3.020 -8.227
235 HG21 THR 34 3HG2 THR 34 -6.025 -0.292 -7.877
236 HG22 THR 34 1HG2 THR 34 -5.788 -1.947 -7.318
237 HG23 THR 34 2HG2 THR 34 -6.248 -0.687 -6.173
238 H GLY 35 H GLY 35 -9.831 -2.862 -5.763
239 HA2 GLY 35 1HA GLY 35 -12.551 -1.974 -6.288
240 HA3 GLY 35 2HA GLY 35 -11.950 -3.244 -7.343
241 H GLU 36 H GLU 36 -10.421 -4.685 -5.475
242 HA GLU 36 HA GLU 36 -12.493 -6.213 -4.235
243 HB2 GLU 36 1HB GLU 36 -10.336 -7.119 -5.219
244 HB3 GLU 36 2HB GLU 36 -9.526 -6.509 -3.783
245 HG2 GLU 36 1HG GLU 36 -9.898 -8.653 -3.136
246 HG3 GLU 36 2HG GLU 36 -11.383 -7.906 -2.551
247 H LYS 37 H LYS 37 -13.483 -4.919 -2.695
248 HA LYS 37 HA LYS 37 -11.812 -4.130 -0.401
249 HB2 LYS 37 1HB LYS 37 -13.083 -2.327 -1.648
250 HB3 LYS 37 2HB LYS 37 -14.562 -3.078 -1.063
251 HG2 LYS 37 1HG LYS 37 -13.957 -2.633 1.214
252 HG3 LYS 37 2HG LYS 37 -12.367 -2.047 0.721
253 HD2 LYS 37 1HD LYS 37 -13.465 -0.223 -0.531
254 HD3 LYS 37 2HD LYS 37 -15.030 -0.792 0.054
255 HE2 LYS 37 1HE LYS 37 -14.234 -0.437 2.375
256 HE3 LYS 37 2HE LYS 37 -12.741 0.239 1.726
257 HZ1 LYS 37 3HZ LYS 37 -14.051 1.965 0.639
258 HZ2 LYS 37 1HZ LYS 37 -14.292 1.981 2.313
259 HZ3 LYS 37 2HZ LYS 37 -15.472 1.324 1.296
260 H LEU 38 H LEU 38 -12.628 -6.794 -0.672
261 HA LEU 38 HA LEU 38 -14.924 -7.138 1.089
262 HB2 LEU 38 1HB LEU 38 -13.291 -8.927 -0.644
263 HB3 LEU 38 2HB LEU 38 -14.180 -9.634 0.703
264 HG LEU 38 HG LEU 38 -15.527 -7.940 -1.384
265 HD11 LEU 38 1HD1 LEU 38 -14.832 -10.855 -1.456
266 HD12 LEU 38 2HD1 LEU 38 -14.639 -9.635 -2.714
267 HD13 LEU 38 3HD1 LEU 38 -16.248 -10.225 -2.298
268 HD21 LEU 38 3HD2 LEU 38 -16.527 -8.573 0.930
269 HD22 LEU 38 1HD2 LEU 38 -16.742 -10.165 0.201
270 HD23 LEU 38 2HD2 LEU 38 -17.512 -8.752 -0.523
271 H SER 39 H SER 39 -11.457 -7.886 1.012
272 HA SER 39 HA SER 39 -11.441 -8.992 3.655
273 HB2 SER 39 1HB SER 39 -9.226 -8.136 1.783
274 HB3 SER 39 2HB SER 39 -8.929 -8.843 3.371
275 HG SER 39 HG SER 39 -9.874 -10.024 1.041
276 H GLY 40 H GLY 40 -11.197 -7.984 5.550
277 HA2 GLY 40 1HA GLY 40 -10.008 -6.252 6.828
278 HA3 GLY 40 2HA GLY 40 -10.358 -5.151 5.503
279 HA PRO 41 HA PRO 41 -13.541 -4.370 8.732
280 HB2 PRO 41 1HB PRO 41 -13.561 -1.680 8.366
281 HB3 PRO 41 2HB PRO 41 -12.405 -2.497 9.425
282 HG2 PRO 41 1HG PRO 41 -12.041 -1.520 6.619
283 HG3 PRO 41 2HG PRO 41 -10.938 -1.389 8.001
284 HD2 PRO 41 1HD PRO 41 -10.633 -3.259 6.066
285 HD3 PRO 41 2HD PRO 41 -10.173 -3.550 7.756
286 H SER 42 H SER 42 -15.680 -3.429 8.511
287 HA SER 42 HA SER 42 -16.615 -3.526 5.728
288 HB2 SER 42 1HB SER 42 -17.896 -4.158 8.364
289 HB3 SER 42 2HB SER 42 -18.909 -3.716 6.989
290 HG SER 42 HG SER 42 -18.312 -5.508 5.946
291 H SER 43 H SER 43 -17.760 -1.879 4.820
292 HA SER 43 HA SER 43 -17.932 0.602 6.397
293 HB2 SER 43 1HB SER 43 -17.533 0.151 3.437
294 HB3 SER 43 2HB SER 43 -17.944 1.726 4.115
295 HG SER 43 HG SER 43 -15.629 0.167 4.602
296 H GLY 44 H GLY 44 -19.995 0.018 7.251
297 HA2 GLY 44 1HA GLY 44 -22.244 0.884 6.999
298 HA3 GLY 44 2HA GLY 44 -22.167 0.441 5.300
Start of MODEL 8
1 H1 GLY 1 H GLY 1 32.335 -4.225 -4.120
2 HA2 GLY 1 1HA GLY 1 33.408 -1.550 -4.219
3 HA3 GLY 1 2HA GLY 1 32.432 -1.965 -5.621
4 H SER 2 H SER 2 30.200 -2.511 -5.295
5 HA SER 2 HA SER 2 29.002 -0.900 -3.226
6 HB2 SER 2 1HB SER 2 27.753 -2.612 -5.388
7 HB3 SER 2 2HB SER 2 26.861 -1.532 -4.317
8 HG SER 2 HG SER 2 28.782 -0.854 -6.283
9 H SER 3 H SER 3 26.905 -1.937 -2.216
10 HA SER 3 HA SER 3 27.183 -4.708 -1.468
11 HB2 SER 3 1HB SER 3 27.465 -4.330 0.919
12 HB3 SER 3 2HB SER 3 28.798 -3.574 0.046
13 HG SER 3 HG SER 3 28.183 -1.711 0.784
14 H GLY 4 H GLY 4 25.470 -5.275 0.242
15 HA2 GLY 4 1HA GLY 4 22.949 -4.418 -0.742
16 HA3 GLY 4 2HA GLY 4 23.216 -5.452 0.654
17 H SER 5 H SER 5 23.315 -2.060 -0.385
18 HA SER 5 HA SER 5 22.885 -1.222 2.389
19 HB2 SER 5 1HB SER 5 24.636 0.024 1.398
20 HB3 SER 5 2HB SER 5 23.736 0.251 -0.101
21 HG SER 5 HG SER 5 23.072 2.043 0.749
22 H SER 6 H SER 6 21.630 -0.298 -0.822
23 HA SER 6 HA SER 6 19.161 0.630 0.388
24 HB2 SER 6 1HB SER 6 20.435 0.846 -2.297
25 HB3 SER 6 2HB SER 6 18.678 0.967 -2.215
26 HG SER 6 HG SER 6 18.853 2.855 -1.292
27 H GLY 7 H GLY 7 18.435 -1.444 1.163
28 HA2 GLY 7 1HA GLY 7 16.684 -2.732 -0.706
29 HA3 GLY 7 2HA GLY 7 18.039 -3.755 -0.255
30 H GLU 8 H GLU 8 16.009 -1.480 1.589
31 HA GLU 8 HA GLU 8 15.252 -3.723 3.339
32 HB2 GLU 8 1HB GLU 8 16.010 -0.929 4.212
33 HB3 GLU 8 2HB GLU 8 15.382 -2.184 5.270
34 HG2 GLU 8 1HG GLU 8 17.925 -2.451 3.690
35 HG3 GLU 8 2HG GLU 8 17.854 -1.869 5.352
36 H LYS 9 H LYS 9 13.304 -3.791 2.067
37 HA LYS 9 HA LYS 9 11.088 -3.389 1.750
38 HB2 LYS 9 1HB LYS 9 11.406 -1.551 4.130
39 HB3 LYS 9 2HB LYS 9 9.876 -2.111 3.467
40 HG2 LYS 9 1HG LYS 9 10.278 -4.331 4.154
41 HG3 LYS 9 2HG LYS 9 11.975 -3.994 4.502
42 HD2 LYS 9 1HD LYS 9 9.931 -2.405 5.955
43 HD3 LYS 9 2HD LYS 9 10.124 -4.099 6.411
44 HE2 LYS 9 1HE LYS 9 11.676 -3.181 7.797
45 HE3 LYS 9 2HE LYS 9 12.689 -3.418 6.374
46 HZ1 LYS 9 3HZ LYS 9 12.969 -1.206 7.293
47 HZ2 LYS 9 1HZ LYS 9 11.316 -0.891 7.119
48 HZ3 LYS 9 2HZ LYS 9 12.282 -1.117 5.750
49 HA PRO 10 HA PRO 10 12.342 0.712 -0.233
50 HB2 PRO 10 1HB PRO 10 12.636 -0.233 -2.761
51 HB3 PRO 10 2HB PRO 10 13.962 -0.186 -1.593
52 HG2 PRO 10 1HG PRO 10 12.211 -2.483 -2.381
53 HG3 PRO 10 2HG PRO 10 13.965 -2.451 -2.120
54 HD2 PRO 10 1HD PRO 10 12.232 -3.385 -0.260
55 HD3 PRO 10 2HD PRO 10 13.752 -2.577 0.172
56 H TYR 11 H TYR 11 10.044 -1.803 -0.715
57 HA TYR 11 HA TYR 11 8.366 -0.099 -2.411
58 HB2 TYR 11 1HB TYR 11 7.906 -2.981 -1.626
59 HB3 TYR 11 2HB TYR 11 7.059 -2.074 -2.874
60 HD1 TYR 11 HD2 TYR 11 10.297 -3.603 -1.962
61 HD2 TYR 11 HD1 TYR 11 7.962 -1.861 -5.063
62 HE1 TYR 11 HE2 TYR 11 11.941 -4.369 -3.623
63 HE2 TYR 11 HE1 TYR 11 9.599 -2.623 -6.733
64 HH TYR 11 HH TYR 11 11.327 -4.272 -6.997
65 H GLY 12 H GLY 12 6.395 0.660 -1.771
66 HA2 GLY 12 1HA GLY 12 5.242 -0.204 0.753
67 HA3 GLY 12 2HA GLY 12 5.829 1.452 0.722
68 H CYS 13 H CYS 13 3.100 0.434 1.064
69 HA CYS 13 HA CYS 13 1.754 1.247 -1.389
70 HB2 CYS 13 1HB CYS 13 0.961 -0.742 -0.134
71 HB3 CYS 13 2HB CYS 13 0.579 0.300 1.234
72 H ASN 14 H ASN 14 1.199 3.284 -1.736
73 HA ASN 14 HA ASN 14 1.334 5.239 0.376
74 HB2 ASN 14 1HB ASN 14 2.109 5.663 -1.977
75 HB3 ASN 14 2HB ASN 14 0.421 5.640 -2.478
76 HD21 ASN 14 1HD2 ASN 14 1.850 7.836 -3.008
77 HD22 ASN 14 2HD2 ASN 14 1.381 9.142 -1.979
78 H GLU 15 H GLU 15 -1.152 3.542 -1.398
79 HA GLU 15 HA GLU 15 -3.383 5.073 -0.995
80 HB2 GLU 15 1HB GLU 15 -3.177 2.069 -0.725
81 HB3 GLU 15 2HB GLU 15 -4.674 2.963 -0.948
82 HG2 GLU 15 1HG GLU 15 -2.447 3.225 -2.922
83 HG3 GLU 15 2HG GLU 15 -3.546 1.849 -2.983
84 H CYS 16 H CYS 16 -2.256 2.534 1.246
85 HA CYS 16 HA CYS 16 -3.781 3.854 3.384
86 HB2 CYS 16 1HB CYS 16 -3.748 1.739 4.556
87 HB3 CYS 16 2HB CYS 16 -4.316 1.470 2.911
88 H GLY 17 H GLY 17 -0.638 2.345 2.696
89 HA2 GLY 17 1HA GLY 17 1.308 3.728 3.423
90 HA3 GLY 17 2HA GLY 17 0.473 3.885 4.961
91 H LYS 18 H LYS 18 0.648 0.935 3.056
92 HA LYS 18 HA LYS 18 1.878 -0.413 5.325
93 HB2 LYS 18 1HB LYS 18 -0.129 -1.315 4.033
94 HB3 LYS 18 2HB LYS 18 0.997 -1.674 2.731
95 HG2 LYS 18 1HG LYS 18 2.153 -3.260 4.027
96 HG3 LYS 18 2HG LYS 18 1.392 -2.709 5.521
97 HD2 LYS 18 1HD LYS 18 -0.344 -3.727 3.325
98 HD3 LYS 18 2HD LYS 18 0.569 -4.890 4.289
99 HE2 LYS 18 1HE LYS 18 -0.420 -3.490 6.291
100 HE3 LYS 18 2HE LYS 18 -1.642 -3.062 5.095
101 HZ1 LYS 18 3HZ LYS 18 -1.473 -5.722 4.787
102 HZ2 LYS 18 1HZ LYS 18 -2.606 -4.947 5.776
103 HZ3 LYS 18 2HZ LYS 18 -1.186 -5.573 6.447
104 H ASP 19 H ASP 19 3.532 -2.160 4.741
105 HA ASP 19 HA ASP 19 5.394 -1.184 2.685
106 HB2 ASP 19 1HB ASP 19 6.500 -2.300 5.223
107 HB3 ASP 19 2HB ASP 19 7.203 -1.126 4.113
108 H PHE 20 H PHE 20 6.590 -2.739 1.620
109 HA PHE 20 HA PHE 20 6.171 -5.537 2.387
110 HB2 PHE 20 1HB PHE 20 5.839 -4.537 -0.446
111 HB3 PHE 20 2HB PHE 20 5.602 -6.184 0.129
112 HD1 PHE 20 HD2 PHE 20 4.294 -2.729 0.456
113 HD2 PHE 20 HD1 PHE 20 3.515 -6.892 0.874
114 HE1 PHE 20 HE2 PHE 20 1.917 -2.240 0.864
115 HE2 PHE 20 HE1 PHE 20 1.136 -6.410 1.281
116 HZ PHE 20 HZ PHE 20 0.335 -4.081 1.278
117 H SER 21 H SER 21 7.792 -6.969 1.721
118 HA SER 21 HA SER 21 10.383 -5.804 1.472
119 HB2 SER 21 1HB SER 21 10.265 -7.822 2.714
120 HB3 SER 21 2HB SER 21 9.382 -8.651 1.431
121 HG SER 21 HG SER 21 11.240 -9.239 0.680
122 H SER 22 H SER 22 8.320 -7.700 -0.709
123 HA SER 22 HA SER 22 10.092 -6.932 -2.933
124 HB2 SER 22 1HB SER 22 8.302 -9.332 -2.554
125 HB3 SER 22 2HB SER 22 8.956 -8.883 -4.129
126 HG SER 22 HG SER 22 10.520 -9.372 -1.811
127 H LYS 23 H LYS 23 8.952 -6.689 -5.058
128 HA LYS 23 HA LYS 23 6.912 -4.729 -4.822
129 HB2 LYS 23 1HB LYS 23 8.441 -4.539 -6.643
130 HB3 LYS 23 2HB LYS 23 8.093 -6.174 -7.192
131 HG2 LYS 23 1HG LYS 23 7.023 -4.645 -8.673
132 HG3 LYS 23 2HG LYS 23 5.774 -5.440 -7.712
133 HD2 LYS 23 1HD LYS 23 5.063 -3.278 -7.532
134 HD3 LYS 23 2HD LYS 23 6.158 -3.334 -6.148
135 HE2 LYS 23 1HE LYS 23 7.740 -2.041 -7.175
136 HE3 LYS 23 2HE LYS 23 7.280 -2.570 -8.793
137 HZ1 LYS 23 3HZ LYS 23 6.141 -0.697 -8.989
138 HZ2 LYS 23 1HZ LYS 23 6.461 -0.264 -7.386
139 HZ3 LYS 23 2HZ LYS 23 5.105 -1.205 -7.752
140 H SER 24 H SER 24 6.899 -8.023 -6.180
141 HA SER 24 HA SER 24 4.362 -8.320 -7.033
142 HB2 SER 24 1HB SER 24 6.317 -10.074 -6.644
143 HB3 SER 24 2HB SER 24 5.355 -10.479 -5.223
144 HG SER 24 HG SER 24 4.951 -11.219 -7.734
145 H TYR 25 H TYR 25 5.282 -8.995 -3.651
146 HA TYR 25 HA TYR 25 2.819 -9.439 -2.567
147 HB2 TYR 25 1HB TYR 25 5.138 -7.936 -1.339
148 HB3 TYR 25 2HB TYR 25 3.746 -8.517 -0.432
149 HD1 TYR 25 HD1 TYR 25 3.266 -11.171 -1.393
150 HD2 TYR 25 HD2 TYR 25 6.988 -9.201 -0.788
151 HE1 TYR 25 HE1 TYR 25 4.365 -13.352 -1.096
152 HE2 TYR 25 HE2 TYR 25 8.097 -11.376 -0.491
153 HH TYR 25 HH TYR 25 7.569 -13.838 -1.301
154 H LEU 26 H LEU 26 4.336 -6.292 -3.153
155 HA LEU 26 HA LEU 26 2.282 -4.731 -2.005
156 HB2 LEU 26 1HB LEU 26 4.389 -3.716 -2.322
157 HB3 LEU 26 2HB LEU 26 4.419 -4.142 -4.032
158 HG LEU 26 HG LEU 26 2.523 -2.530 -4.369
159 HD11 LEU 26 1HD1 LEU 26 1.870 -1.036 -2.709
160 HD12 LEU 26 2HD1 LEU 26 3.263 -1.403 -1.693
161 HD13 LEU 26 3HD1 LEU 26 1.961 -2.580 -1.862
162 HD21 LEU 26 3HD2 LEU 26 3.988 -0.515 -4.159
163 HD22 LEU 26 1HD2 LEU 26 4.729 -1.875 -5.002
164 HD23 LEU 26 2HD2 LEU 26 5.169 -1.530 -3.329
165 H ILE 27 H ILE 27 3.045 -5.228 -5.457
166 HA ILE 27 HA ILE 27 0.906 -4.023 -6.621
167 HB ILE 27 HB ILE 27 2.126 -6.654 -7.462
168 HG12 ILE 27 1HG1 ILE 27 2.710 -3.865 -8.468
169 HG13 ILE 27 2HG1 ILE 27 3.666 -4.670 -7.229
170 HG21 ILE 27 1HG2 ILE 27 0.380 -4.719 -8.974
171 HG22 ILE 27 2HG2 ILE 27 1.293 -6.027 -9.723
172 HG23 ILE 27 3HG2 ILE 27 0.014 -6.395 -8.566
173 HD11 ILE 27 3HD1 ILE 27 3.247 -5.722 -10.015
174 HD12 ILE 27 1HD1 ILE 27 4.653 -4.800 -9.484
175 HD13 ILE 27 2HD1 ILE 27 4.318 -6.382 -8.779
176 H VAL 28 H VAL 28 0.968 -7.263 -5.202
177 HA VAL 28 HA VAL 28 -1.652 -8.004 -5.961
178 HB VAL 28 HB VAL 28 0.005 -8.973 -3.627
179 HG11 VAL 28 1HG1 VAL 28 -2.649 -9.355 -3.894
180 HG12 VAL 28 2HG1 VAL 28 -2.040 -10.716 -4.838
181 HG13 VAL 28 3HG1 VAL 28 -1.561 -10.526 -3.151
182 HG21 VAL 28 3HG2 VAL 28 0.980 -10.507 -5.006
183 HG22 VAL 28 1HG2 VAL 28 -0.399 -10.561 -6.104
184 HG23 VAL 28 2HG2 VAL 28 0.728 -9.206 -6.169
185 H HIS 29 H HIS 29 -0.348 -6.406 -3.094
186 HA HIS 29 HA HIS 29 -2.784 -6.399 -1.632
187 HB2 HIS 29 1HB HIS 29 -0.735 -6.134 -0.421
188 HB3 HIS 29 2HB HIS 29 -0.271 -4.741 -1.394
189 HD1 HIS 29 HD1 HIS 29 -2.555 -5.752 1.404
190 HD2 HIS 29 HD2 HIS 29 -1.361 -2.311 -0.596
191 HE1 HIS 29 HE1 HIS 29 -3.432 -3.837 2.778
192 H GLN 30 H GLN 30 -1.087 -3.801 -3.393
193 HA GLN 30 HA GLN 30 -2.760 -1.711 -3.123
194 HB2 GLN 30 1HB GLN 30 -1.340 -2.686 -5.592
195 HB3 GLN 30 2HB GLN 30 -2.242 -1.176 -5.580
196 HG2 GLN 30 1HG GLN 30 -0.803 -0.546 -3.564
197 HG3 GLN 30 2HG GLN 30 0.225 -1.896 -4.042
198 HE21 GLN 30 1HE2 GLN 30 0.000 1.303 -4.215
199 HE22 GLN 30 2HE2 GLN 30 0.789 1.604 -5.722
200 H ARG 31 H ARG 31 -3.490 -4.676 -4.741
201 HA ARG 31 HA ARG 31 -5.598 -3.874 -6.393
202 HB2 ARG 31 1HB ARG 31 -5.323 -6.495 -4.911
203 HB3 ARG 31 2HB ARG 31 -6.323 -6.202 -6.328
204 HG2 ARG 31 1HG ARG 31 -4.378 -5.841 -7.692
205 HG3 ARG 31 2HG ARG 31 -3.324 -5.952 -6.281
206 HD2 ARG 31 1HD ARG 31 -3.321 -8.029 -7.575
207 HD3 ARG 31 2HD ARG 31 -3.974 -8.273 -5.956
208 HE ARG 31 HE ARG 31 -5.971 -7.752 -7.963
209 HH11 ARG 31 1HH1 ARG 31 -4.061 -10.187 -6.369
210 HH12 ARG 31 2HH1 ARG 31 -5.165 -11.473 -6.726
211 HH21 ARG 31 1HH2 ARG 31 -7.433 -9.437 -8.439
212 HH22 ARG 31 2HH2 ARG 31 -7.083 -11.045 -7.904
213 H ILE 32 H ILE 32 -5.607 -4.908 -2.999
214 HA ILE 32 HA ILE 32 -8.351 -4.895 -2.554
215 HB ILE 32 HB ILE 32 -7.886 -4.700 -0.214
216 HG12 ILE 32 1HG1 ILE 32 -4.989 -4.160 -0.574
217 HG13 ILE 32 2HG1 ILE 32 -6.081 -2.806 -0.838
218 HG21 ILE 32 1HG2 ILE 32 -5.737 -6.265 -0.154
219 HG22 ILE 32 2HG2 ILE 32 -7.307 -6.839 -0.714
220 HG23 ILE 32 3HG2 ILE 32 -6.078 -6.352 -1.882
221 HD11 ILE 32 3HD1 ILE 32 -7.040 -3.755 1.492
222 HD12 ILE 32 1HD1 ILE 32 -5.336 -4.181 1.644
223 HD13 ILE 32 2HD1 ILE 32 -5.804 -2.503 1.364
224 H HIS 33 H HIS 33 -6.353 -2.305 -3.351
225 HA HIS 33 HA HIS 33 -8.216 -0.347 -2.189
226 HB2 HIS 33 1HB HIS 33 -5.390 -0.017 -3.210
227 HB3 HIS 33 2HB HIS 33 -6.412 1.320 -2.692
228 HD1 HIS 33 HD1 HIS 33 -7.409 0.800 -0.080
229 HD2 HIS 33 HD2 HIS 33 -3.753 -0.808 -1.226
230 HE1 HIS 33 HE1 HIS 33 -6.205 0.270 2.064
231 H THR 34 H THR 34 -6.660 -1.367 -5.180
232 HA THR 34 HA THR 34 -7.389 0.581 -6.946
233 HB THR 34 HB THR 34 -7.669 -1.299 -8.653
234 HG1 THR 34 HG1 THR 34 -7.988 -3.197 -7.783
235 HG21 THR 34 3HG2 THR 34 -5.159 -2.078 -8.037
236 HG22 THR 34 1HG2 THR 34 -5.283 -0.620 -7.054
237 HG23 THR 34 2HG2 THR 34 -5.543 -0.534 -8.796
238 H GLY 35 H GLY 35 -9.234 1.415 -7.692
239 HA2 GLY 35 1HA GLY 35 -11.541 0.160 -8.433
240 HA3 GLY 35 2HA GLY 35 -11.749 0.428 -6.709
241 H GLU 36 H GLU 36 -10.378 2.915 -6.552
242 HA GLU 36 HA GLU 36 -12.492 4.635 -7.498
243 HB2 GLU 36 1HB GLU 36 -11.306 4.803 -5.239
244 HB3 GLU 36 2HB GLU 36 -9.961 5.513 -6.120
245 HG2 GLU 36 1HG GLU 36 -12.733 6.630 -6.321
246 HG3 GLU 36 2HG GLU 36 -11.639 7.086 -5.016
247 H LYS 37 H LYS 37 -8.962 4.485 -7.945
248 HA LYS 37 HA LYS 37 -8.651 6.554 -9.743
249 HB2 LYS 37 1HB LYS 37 -6.901 4.966 -8.648
250 HB3 LYS 37 2HB LYS 37 -7.130 3.989 -10.093
251 HG2 LYS 37 1HG LYS 37 -5.412 5.246 -10.834
252 HG3 LYS 37 2HG LYS 37 -6.717 6.358 -11.252
253 HD2 LYS 37 1HD LYS 37 -5.443 6.497 -8.550
254 HD3 LYS 37 2HD LYS 37 -4.640 7.229 -9.941
255 HE2 LYS 37 1HE LYS 37 -5.877 9.018 -9.294
256 HE3 LYS 37 2HE LYS 37 -7.084 8.227 -10.308
257 HZ1 LYS 37 3HZ LYS 37 -8.397 7.999 -8.557
258 HZ2 LYS 37 1HZ LYS 37 -7.287 8.860 -7.614
259 HZ3 LYS 37 2HZ LYS 37 -7.199 7.173 -7.695
260 H LEU 38 H LEU 38 -9.143 3.115 -10.556
261 HA LEU 38 HA LEU 38 -9.433 3.576 -13.335
262 HB2 LEU 38 1HB LEU 38 -10.082 1.287 -11.516
263 HB3 LEU 38 2HB LEU 38 -10.559 1.252 -13.213
264 HG LEU 38 HG LEU 38 -7.704 1.777 -12.514
265 HD11 LEU 38 1HD1 LEU 38 -7.770 -0.121 -11.267
266 HD12 LEU 38 2HD1 LEU 38 -7.588 -0.851 -12.861
267 HD13 LEU 38 3HD1 LEU 38 -9.180 -0.763 -12.109
268 HD21 LEU 38 3HD2 LEU 38 -8.780 1.864 -14.852
269 HD22 LEU 38 1HD2 LEU 38 -8.809 0.104 -14.741
270 HD23 LEU 38 2HD2 LEU 38 -7.273 0.968 -14.652
271 H SER 39 H SER 39 -10.978 4.989 -13.950
272 HA SER 39 HA SER 39 -13.747 4.190 -13.537
273 HB2 SER 39 1HB SER 39 -12.570 6.779 -12.572
274 HB3 SER 39 2HB SER 39 -14.255 6.713 -13.089
275 HG SER 39 HG SER 39 -13.526 4.677 -11.399
276 H GLY 40 H GLY 40 -14.859 4.360 -15.375
277 HA2 GLY 40 1HA GLY 40 -14.206 6.451 -17.299
278 HA3 GLY 40 2HA GLY 40 -13.970 4.796 -17.840
279 HA PRO 41 HA PRO 41 -18.162 4.643 -19.114
280 HB2 PRO 41 1HB PRO 41 -18.680 1.992 -18.837
281 HB3 PRO 41 2HB PRO 41 -17.651 2.642 -20.120
282 HG2 PRO 41 1HG PRO 41 -16.868 1.383 -17.519
283 HG3 PRO 41 2HG PRO 41 -16.171 1.145 -19.132
284 HD2 PRO 41 1HD PRO 41 -15.028 2.748 -17.273
285 HD3 PRO 41 2HD PRO 41 -14.920 3.078 -19.014
286 H SER 42 H SER 42 -17.261 4.335 -15.961
287 HA SER 42 HA SER 42 -20.009 3.811 -15.040
288 HB2 SER 42 1HB SER 42 -17.410 3.581 -13.502
289 HB3 SER 42 2HB SER 42 -19.016 3.240 -12.858
290 HG SER 42 HG SER 42 -18.377 1.912 -15.193
291 H SER 43 H SER 43 -20.687 5.963 -15.423
292 HA SER 43 HA SER 43 -19.542 7.941 -13.562
293 HB2 SER 43 1HB SER 43 -20.374 9.682 -15.117
294 HB3 SER 43 2HB SER 43 -19.204 8.609 -15.884
295 HG SER 43 HG SER 43 -20.845 7.596 -16.963
296 H GLY 44 H GLY 44 -20.954 9.266 -12.390
297 HA2 GLY 44 1HA GLY 44 -23.305 10.003 -12.081
298 HA3 GLY 44 2HA GLY 44 -23.757 8.327 -12.351
Start of MODEL 9
1 H1 GLY 1 H GLY 1 12.667 5.022 7.636
2 HA2 GLY 1 1HA GLY 1 15.318 5.325 6.990
3 HA3 GLY 1 2HA GLY 1 14.444 3.810 6.820
4 H SER 2 H SER 2 15.047 6.882 5.139
5 HA SER 2 HA SER 2 14.346 5.738 2.584
6 HB2 SER 2 1HB SER 2 14.908 7.938 1.675
7 HB3 SER 2 2HB SER 2 13.875 8.111 3.093
8 HG SER 2 HG SER 2 15.402 9.231 3.978
9 H SER 3 H SER 3 15.726 4.216 1.873
10 HA SER 3 HA SER 3 18.383 5.031 1.117
11 HB2 SER 3 1HB SER 3 17.999 2.807 3.134
12 HB3 SER 3 2HB SER 3 19.508 3.134 2.281
13 HG SER 3 HG SER 3 18.143 4.882 4.054
14 H GLY 4 H GLY 4 18.432 4.393 -0.931
15 HA2 GLY 4 1HA GLY 4 16.968 2.003 -1.748
16 HA3 GLY 4 2HA GLY 4 17.683 3.201 -2.817
17 H SER 5 H SER 5 18.192 0.890 -3.736
18 HA SER 5 HA SER 5 19.701 -0.786 -4.136
19 HB2 SER 5 1HB SER 5 21.283 1.719 -3.754
20 HB3 SER 5 2HB SER 5 22.156 0.198 -3.944
21 HG SER 5 HG SER 5 21.709 0.257 -5.987
22 H SER 6 H SER 6 18.703 -0.974 -1.557
23 HA SER 6 HA SER 6 21.053 -1.996 -0.106
24 HB2 SER 6 1HB SER 6 19.847 -1.409 2.019
25 HB3 SER 6 2HB SER 6 20.351 -0.013 1.068
26 HG SER 6 HG SER 6 18.191 0.179 1.802
27 H GLY 7 H GLY 7 17.483 -2.138 -0.111
28 HA2 GLY 7 1HA GLY 7 16.339 -4.199 -0.636
29 HA3 GLY 7 2HA GLY 7 17.709 -5.074 0.033
30 H GLU 8 H GLU 8 15.820 -2.361 1.342
31 HA GLU 8 HA GLU 8 14.934 -4.118 3.524
32 HB2 GLU 8 1HB GLU 8 16.942 -2.657 4.131
33 HB3 GLU 8 2HB GLU 8 15.848 -1.287 4.003
34 HG2 GLU 8 1HG GLU 8 15.759 -1.724 6.245
35 HG3 GLU 8 2HG GLU 8 14.382 -2.657 5.661
36 H LYS 9 H LYS 9 12.917 -4.165 2.402
37 HA LYS 9 HA LYS 9 10.787 -3.499 1.956
38 HB2 LYS 9 1HB LYS 9 11.356 -1.520 4.171
39 HB3 LYS 9 2HB LYS 9 9.761 -1.945 3.565
40 HG2 LYS 9 1HG LYS 9 9.895 -4.126 4.440
41 HG3 LYS 9 2HG LYS 9 11.630 -3.983 4.734
42 HD2 LYS 9 1HD LYS 9 11.298 -2.484 6.532
43 HD3 LYS 9 2HD LYS 9 9.606 -2.223 6.099
44 HE2 LYS 9 1HE LYS 9 10.489 -4.989 6.748
45 HE3 LYS 9 2HE LYS 9 10.310 -3.840 8.072
46 HZ1 LYS 9 3HZ LYS 9 8.083 -3.805 7.858
47 HZ2 LYS 9 1HZ LYS 9 8.314 -5.319 7.139
48 HZ3 LYS 9 2HZ LYS 9 8.114 -3.945 6.173
49 HA PRO 10 HA PRO 10 12.484 0.251 -0.367
50 HB2 PRO 10 1HB PRO 10 12.646 -0.929 -2.807
51 HB3 PRO 10 2HB PRO 10 13.979 -0.936 -1.647
52 HG2 PRO 10 1HG PRO 10 11.973 -3.077 -2.239
53 HG3 PRO 10 2HG PRO 10 13.721 -3.222 -1.981
54 HD2 PRO 10 1HD PRO 10 11.911 -3.795 -0.050
55 HD3 PRO 10 2HD PRO 10 13.517 -3.131 0.313
56 H TYR 11 H TYR 11 9.949 -2.080 -0.756
57 HA TYR 11 HA TYR 11 8.421 -0.219 -2.441
58 HB2 TYR 11 1HB TYR 11 7.724 -3.090 -1.816
59 HB3 TYR 11 2HB TYR 11 7.046 -2.070 -3.080
60 HD1 TYR 11 HD1 TYR 11 8.297 -1.626 -5.126
61 HD2 TYR 11 HD2 TYR 11 9.888 -4.143 -2.087
62 HE1 TYR 11 HE1 TYR 11 9.975 -2.471 -6.713
63 HE2 TYR 11 HE2 TYR 11 11.572 -4.993 -3.665
64 HH TYR 11 HH TYR 11 11.497 -5.071 -6.569
65 H GLY 12 H GLY 12 6.358 0.454 -1.856
66 HA2 GLY 12 1HA GLY 12 5.176 -0.421 0.633
67 HA3 GLY 12 2HA GLY 12 5.823 1.213 0.684
68 H CYS 13 H CYS 13 3.065 0.356 0.979
69 HA CYS 13 HA CYS 13 1.751 1.208 -1.469
70 HB2 CYS 13 1HB CYS 13 0.801 -0.657 -0.179
71 HB3 CYS 13 2HB CYS 13 0.593 0.405 1.210
72 H ASN 14 H ASN 14 0.526 3.064 -1.703
73 HA ASN 14 HA ASN 14 1.145 5.190 0.218
74 HB2 ASN 14 1HB ASN 14 -0.022 5.518 -2.549
75 HB3 ASN 14 2HB ASN 14 0.730 6.754 -1.544
76 HD21 ASN 14 1HD2 ASN 14 3.027 5.808 -0.749
77 HD22 ASN 14 2HD2 ASN 14 4.043 5.350 -2.069
78 H GLU 15 H GLU 15 -1.519 3.524 -1.341
79 HA GLU 15 HA GLU 15 -3.654 5.147 -0.737
80 HB2 GLU 15 1HB GLU 15 -3.330 2.188 -0.978
81 HB3 GLU 15 2HB GLU 15 -4.855 2.819 -0.372
82 HG2 GLU 15 1HG GLU 15 -5.027 2.459 -2.734
83 HG3 GLU 15 2HG GLU 15 -5.063 4.191 -2.407
84 H CYS 16 H CYS 16 -2.570 2.420 1.296
85 HA CYS 16 HA CYS 16 -3.912 3.654 3.585
86 HB2 CYS 16 1HB CYS 16 -3.727 1.514 4.672
87 HB3 CYS 16 2HB CYS 16 -4.331 1.249 3.040
88 H GLY 17 H GLY 17 -0.745 2.347 2.646
89 HA2 GLY 17 1HA GLY 17 1.220 3.681 3.257
90 HA3 GLY 17 2HA GLY 17 0.439 3.984 4.802
91 H LYS 18 H LYS 18 0.743 0.927 3.037
92 HA LYS 18 HA LYS 18 1.922 -0.268 5.428
93 HB2 LYS 18 1HB LYS 18 0.410 -1.269 3.086
94 HB3 LYS 18 2HB LYS 18 1.633 -2.351 3.737
95 HG2 LYS 18 1HG LYS 18 0.569 -2.476 5.824
96 HG3 LYS 18 2HG LYS 18 -0.447 -1.074 5.482
97 HD2 LYS 18 1HD LYS 18 -1.909 -2.851 5.182
98 HD3 LYS 18 2HD LYS 18 -1.364 -2.518 3.536
99 HE2 LYS 18 1HE LYS 18 -0.024 -4.404 3.461
100 HE3 LYS 18 2HE LYS 18 0.095 -4.514 5.217
101 HZ1 LYS 18 3HZ LYS 18 -1.558 -5.986 3.650
102 HZ2 LYS 18 1HZ LYS 18 -2.593 -4.790 4.252
103 HZ3 LYS 18 2HZ LYS 18 -1.723 -5.772 5.320
104 H ASP 19 H ASP 19 3.419 -2.285 4.572
105 HA ASP 19 HA ASP 19 5.394 -1.209 2.694
106 HB2 ASP 19 1HB ASP 19 6.342 -2.500 5.229
107 HB3 ASP 19 2HB ASP 19 7.204 -1.411 4.147
108 H PHE 20 H PHE 20 6.706 -2.774 1.684
109 HA PHE 20 HA PHE 20 6.238 -5.579 2.258
110 HB2 PHE 20 1HB PHE 20 5.672 -4.557 -0.524
111 HB3 PHE 20 2HB PHE 20 5.377 -6.170 0.117
112 HD1 PHE 20 HD2 PHE 20 4.244 -2.670 0.162
113 HD2 PHE 20 HD1 PHE 20 3.400 -6.674 1.333
114 HE1 PHE 20 HE2 PHE 20 1.946 -2.012 0.745
115 HE2 PHE 20 HE1 PHE 20 1.100 -6.023 1.917
116 HZ PHE 20 HZ PHE 20 0.371 -3.689 1.624
117 H SER 21 H SER 21 8.103 -6.621 2.081
118 HA SER 21 HA SER 21 10.466 -5.395 1.194
119 HB2 SER 21 1HB SER 21 10.600 -7.169 2.808
120 HB3 SER 21 2HB SER 21 9.808 -8.301 1.712
121 HG SER 21 HG SER 21 12.433 -7.357 1.714
122 H SER 22 H SER 22 8.348 -7.772 -0.360
123 HA SER 22 HA SER 22 9.953 -7.665 -2.794
124 HB2 SER 22 1HB SER 22 8.805 -9.782 -1.679
125 HB3 SER 22 2HB SER 22 7.420 -9.240 -2.628
126 HG SER 22 HG SER 22 9.984 -10.010 -3.541
127 H LYS 23 H LYS 23 9.077 -7.102 -4.828
128 HA LYS 23 HA LYS 23 7.345 -4.848 -4.766
129 HB2 LYS 23 1HB LYS 23 9.083 -4.945 -6.425
130 HB3 LYS 23 2HB LYS 23 8.470 -6.469 -7.053
131 HG2 LYS 23 1HG LYS 23 6.716 -5.469 -8.151
132 HG3 LYS 23 2HG LYS 23 6.711 -4.062 -7.086
133 HD2 LYS 23 1HD LYS 23 8.758 -3.250 -8.093
134 HD3 LYS 23 2HD LYS 23 8.870 -4.699 -9.096
135 HE2 LYS 23 1HE LYS 23 6.448 -2.942 -9.216
136 HE3 LYS 23 2HE LYS 23 7.905 -2.520 -10.115
137 HZ1 LYS 23 3HZ LYS 23 6.172 -3.880 -11.324
138 HZ2 LYS 23 1HZ LYS 23 6.634 -5.182 -10.348
139 HZ3 LYS 23 2HZ LYS 23 7.759 -4.463 -11.387
140 H SER 24 H SER 24 6.944 -8.223 -5.716
141 HA SER 24 HA SER 24 4.422 -8.044 -6.898
142 HB2 SER 24 1HB SER 24 5.509 -10.357 -5.275
143 HB3 SER 24 2HB SER 24 4.223 -10.436 -6.480
144 HG SER 24 HG SER 24 6.975 -10.211 -6.818
145 H TYR 25 H TYR 25 5.229 -8.906 -3.534
146 HA TYR 25 HA TYR 25 2.773 -9.260 -2.449
147 HB2 TYR 25 1HB TYR 25 5.201 -7.888 -1.317
148 HB3 TYR 25 2HB TYR 25 3.747 -8.121 -0.353
149 HD1 TYR 25 HD1 TYR 25 2.826 -10.750 -0.927
150 HD2 TYR 25 HD2 TYR 25 6.840 -9.367 -0.655
151 HE1 TYR 25 HE1 TYR 25 3.565 -13.026 -0.355
152 HE2 TYR 25 HE2 TYR 25 7.590 -11.638 -0.084
153 HH TYR 25 HH TYR 25 5.619 -14.373 -0.452
154 H LEU 26 H LEU 26 4.324 -6.132 -3.065
155 HA LEU 26 HA LEU 26 2.262 -4.541 -1.973
156 HB2 LEU 26 1HB LEU 26 4.350 -3.512 -2.253
157 HB3 LEU 26 2HB LEU 26 4.467 -4.016 -3.938
158 HG LEU 26 HG LEU 26 2.565 -2.427 -4.421
159 HD11 LEU 26 1HD1 LEU 26 3.196 -0.869 -2.015
160 HD12 LEU 26 2HD1 LEU 26 2.257 -2.334 -1.731
161 HD13 LEU 26 3HD1 LEU 26 1.660 -1.107 -2.849
162 HD21 LEU 26 3HD2 LEU 26 4.525 -0.560 -3.479
163 HD22 LEU 26 1HD2 LEU 26 4.184 -1.085 -5.128
164 HD23 LEU 26 2HD2 LEU 26 5.325 -1.990 -4.134
165 H ILE 27 H ILE 27 3.073 -5.136 -5.399
166 HA ILE 27 HA ILE 27 0.953 -3.917 -6.611
167 HB ILE 27 HB ILE 27 2.164 -6.562 -7.426
168 HG12 ILE 27 1HG1 ILE 27 2.852 -3.791 -8.410
169 HG13 ILE 27 2HG1 ILE 27 3.734 -4.600 -7.120
170 HG21 ILE 27 1HG2 ILE 27 1.402 -5.955 -9.690
171 HG22 ILE 27 2HG2 ILE 27 0.065 -6.189 -8.565
172 HG23 ILE 27 3HG2 ILE 27 0.565 -4.558 -9.012
173 HD11 ILE 27 3HD1 ILE 27 4.711 -4.722 -9.454
174 HD12 ILE 27 1HD1 ILE 27 4.561 -6.240 -8.570
175 HD13 ILE 27 2HD1 ILE 27 3.394 -5.833 -9.830
176 H VAL 28 H VAL 28 1.011 -7.185 -5.238
177 HA VAL 28 HA VAL 28 -1.612 -7.899 -6.008
178 HB VAL 28 HB VAL 28 0.070 -8.924 -3.717
179 HG11 VAL 28 1HG1 VAL 28 -2.676 -9.419 -4.399
180 HG12 VAL 28 2HG1 VAL 28 -1.726 -10.895 -4.577
181 HG13 VAL 28 3HG1 VAL 28 -1.734 -10.031 -3.040
182 HG21 VAL 28 3HG2 VAL 28 1.009 -9.199 -6.012
183 HG22 VAL 28 1HG2 VAL 28 0.682 -10.719 -5.180
184 HG23 VAL 28 2HG2 VAL 28 -0.420 -10.144 -6.430
185 H HIS 29 H HIS 29 -0.304 -6.290 -3.161
186 HA HIS 29 HA HIS 29 -2.712 -6.344 -1.650
187 HB2 HIS 29 1HB HIS 29 -0.668 -6.028 -0.460
188 HB3 HIS 29 2HB HIS 29 -0.221 -4.651 -1.462
189 HD1 HIS 29 HD1 HIS 29 -2.514 -5.623 1.351
190 HD2 HIS 29 HD2 HIS 29 -1.271 -2.211 -0.668
191 HE1 HIS 29 HE1 HIS 29 -3.375 -3.688 2.707
192 H GLN 30 H GLN 30 -1.113 -3.720 -3.461
193 HA GLN 30 HA GLN 30 -2.830 -1.666 -3.157
194 HB2 GLN 30 1HB GLN 30 -1.290 -2.617 -5.535
195 HB3 GLN 30 2HB GLN 30 -2.399 -1.266 -5.728
196 HG2 GLN 30 1HG GLN 30 -1.149 -0.312 -3.650
197 HG3 GLN 30 2HG GLN 30 0.112 -1.444 -4.137
198 HE21 GLN 30 1HE2 GLN 30 1.210 0.728 -4.307
199 HE22 GLN 30 2HE2 GLN 30 1.143 1.512 -5.845
200 H ARG 31 H ARG 31 -3.519 -4.653 -4.747
201 HA ARG 31 HA ARG 31 -5.675 -3.903 -6.366
202 HB2 ARG 31 1HB ARG 31 -5.139 -6.501 -4.918
203 HB3 ARG 31 2HB ARG 31 -6.394 -6.288 -6.131
204 HG2 ARG 31 1HG ARG 31 -4.709 -5.758 -7.804
205 HG3 ARG 31 2HG ARG 31 -3.440 -5.926 -6.589
206 HD2 ARG 31 1HD ARG 31 -4.172 -8.282 -6.249
207 HD3 ARG 31 2HD ARG 31 -5.293 -8.080 -7.595
208 HE ARG 31 HE ARG 31 -2.419 -8.377 -7.745
209 HH11 ARG 31 1HH1 ARG 31 -5.340 -7.419 -9.380
210 HH12 ARG 31 2HH1 ARG 31 -4.671 -7.616 -10.966
211 HH21 ARG 31 1HH2 ARG 31 -1.528 -8.641 -9.828
212 HH22 ARG 31 2HH2 ARG 31 -2.503 -8.313 -11.220
213 H ILE 32 H ILE 32 -5.591 -4.926 -2.970
214 HA ILE 32 HA ILE 32 -8.317 -5.006 -2.461
215 HB ILE 32 HB ILE 32 -7.814 -4.776 -0.142
216 HG12 ILE 32 1HG1 ILE 32 -4.968 -4.032 -0.568
217 HG13 ILE 32 2HG1 ILE 32 -6.166 -2.763 -0.794
218 HG21 ILE 32 1HG2 ILE 32 -7.048 -6.856 -0.465
219 HG22 ILE 32 2HG2 ILE 32 -6.080 -6.386 -1.861
220 HG23 ILE 32 3HG2 ILE 32 -5.454 -6.138 -0.231
221 HD11 ILE 32 3HD1 ILE 32 -6.986 -3.785 1.556
222 HD12 ILE 32 1HD1 ILE 32 -5.253 -4.092 1.659
223 HD13 ILE 32 2HD1 ILE 32 -5.845 -2.450 1.402
224 H HIS 33 H HIS 33 -6.438 -2.344 -3.331
225 HA HIS 33 HA HIS 33 -8.357 -0.446 -2.166
226 HB2 HIS 33 1HB HIS 33 -5.582 -0.001 -3.282
227 HB3 HIS 33 2HB HIS 33 -6.645 1.285 -2.720
228 HD1 HIS 33 HD1 HIS 33 -7.470 0.821 -0.075
229 HD2 HIS 33 HD2 HIS 33 -3.877 -0.820 -1.362
230 HE1 HIS 33 HE1 HIS 33 -6.171 0.320 2.019
231 H THR 34 H THR 34 -6.796 -1.410 -5.181
232 HA THR 34 HA THR 34 -7.675 0.463 -6.954
233 HB THR 34 HB THR 34 -7.876 -1.438 -8.637
234 HG1 THR 34 HG1 THR 34 -7.778 -3.434 -7.919
235 HG21 THR 34 3HG2 THR 34 -5.688 -0.188 -7.573
236 HG22 THR 34 1HG2 THR 34 -5.660 -1.261 -8.972
237 HG23 THR 34 2HG2 THR 34 -5.274 -1.890 -7.370
238 H GLY 35 H GLY 35 -9.518 0.844 -8.176
239 HA2 GLY 35 1HA GLY 35 -11.731 0.215 -8.917
240 HA3 GLY 35 2HA GLY 35 -11.931 -0.666 -7.410
241 H GLU 36 H GLU 36 -11.561 2.597 -8.743
242 HA GLU 36 HA GLU 36 -13.663 3.604 -7.095
243 HB2 GLU 36 1HB GLU 36 -12.288 5.282 -5.885
244 HB3 GLU 36 2HB GLU 36 -11.956 3.628 -5.390
245 HG2 GLU 36 1HG GLU 36 -9.938 3.597 -6.714
246 HG3 GLU 36 2HG GLU 36 -10.286 5.211 -7.330
247 H LYS 37 H LYS 37 -14.672 5.044 -8.313
248 HA LYS 37 HA LYS 37 -15.111 6.631 -9.882
249 HB2 LYS 37 1HB LYS 37 -12.251 7.410 -9.292
250 HB3 LYS 37 2HB LYS 37 -13.362 8.372 -10.256
251 HG2 LYS 37 1HG LYS 37 -14.232 7.585 -7.534
252 HG3 LYS 37 2HG LYS 37 -12.978 8.818 -7.678
253 HD2 LYS 37 1HD LYS 37 -14.815 10.164 -7.759
254 HD3 LYS 37 2HD LYS 37 -14.675 9.787 -9.478
255 HE2 LYS 37 1HE LYS 37 -16.984 9.566 -8.592
256 HE3 LYS 37 2HE LYS 37 -16.352 8.080 -9.298
257 HZ1 LYS 37 3HZ LYS 37 -17.557 7.894 -7.091
258 HZ2 LYS 37 1HZ LYS 37 -16.192 8.610 -6.394
259 HZ3 LYS 37 2HZ LYS 37 -16.051 7.131 -7.201
260 H LEU 38 H LEU 38 -14.617 4.194 -10.939
261 HA LEU 38 HA LEU 38 -12.862 4.692 -13.246
262 HB2 LEU 38 1HB LEU 38 -13.047 2.198 -13.572
263 HB3 LEU 38 2HB LEU 38 -12.155 2.737 -12.151
264 HG LEU 38 HG LEU 38 -14.219 2.283 -10.798
265 HD11 LEU 38 1HD1 LEU 38 -15.186 1.509 -13.480
266 HD12 LEU 38 2HD1 LEU 38 -16.064 2.163 -12.098
267 HD13 LEU 38 3HD1 LEU 38 -15.633 0.454 -12.139
268 HD21 LEU 38 3HD2 LEU 38 -13.841 -0.101 -10.688
269 HD22 LEU 38 1HD2 LEU 38 -12.303 0.731 -10.924
270 HD23 LEU 38 2HD2 LEU 38 -13.081 -0.085 -12.280
271 H SER 39 H SER 39 -13.600 4.251 -15.346
272 HA SER 39 HA SER 39 -15.995 5.166 -16.148
273 HB2 SER 39 1HB SER 39 -14.519 2.838 -17.401
274 HB3 SER 39 2HB SER 39 -15.768 3.792 -18.200
275 HG SER 39 HG SER 39 -14.361 5.314 -18.552
276 H GLY 40 H GLY 40 -15.348 1.739 -15.420
277 HA2 GLY 40 1HA GLY 40 -17.933 1.343 -14.299
278 HA3 GLY 40 2HA GLY 40 -17.865 0.703 -15.934
279 HA PRO 41 HA PRO 41 -16.144 -2.319 -12.694
280 HB2 PRO 41 1HB PRO 41 -18.211 -4.079 -12.682
281 HB3 PRO 41 2HB PRO 41 -18.113 -2.705 -11.574
282 HG2 PRO 41 1HG PRO 41 -19.661 -2.977 -14.122
283 HG3 PRO 41 2HG PRO 41 -20.167 -2.273 -12.575
284 HD2 PRO 41 1HD PRO 41 -19.375 -0.759 -14.675
285 HD3 PRO 41 2HD PRO 41 -19.095 -0.275 -12.990
286 H SER 42 H SER 42 -16.058 -4.815 -13.080
287 HA SER 42 HA SER 42 -16.380 -5.699 -15.789
288 HB2 SER 42 1HB SER 42 -14.058 -5.992 -16.360
289 HB3 SER 42 2HB SER 42 -14.292 -4.304 -15.905
290 HG SER 42 HG SER 42 -13.620 -5.130 -13.713
291 H SER 43 H SER 43 -16.369 -7.898 -15.944
292 HA SER 43 HA SER 43 -16.655 -10.028 -15.171
293 HB2 SER 43 1HB SER 43 -14.048 -9.347 -13.789
294 HB3 SER 43 2HB SER 43 -14.678 -10.978 -14.022
295 HG SER 43 HG SER 43 -13.278 -10.589 -15.687
296 H GLY 44 H GLY 44 -18.149 -8.194 -13.718
297 HA2 GLY 44 1HA GLY 44 -17.770 -8.601 -10.894
298 HA3 GLY 44 2HA GLY 44 -19.135 -7.802 -11.661
Start of MODEL 10
1 H1 GLY 1 H GLY 1 28.087 0.849 4.632
2 HA2 GLY 1 1HA GLY 1 29.688 0.395 2.228
3 HA3 GLY 1 2HA GLY 1 30.510 0.247 3.774
4 H SER 2 H SER 2 27.262 -0.756 2.725
5 HA SER 2 HA SER 2 28.019 -3.555 2.969
6 HB2 SER 2 1HB SER 2 27.387 -3.154 5.234
7 HB3 SER 2 2HB SER 2 25.971 -2.223 4.746
8 HG SER 2 HG SER 2 24.972 -4.060 4.923
9 H SER 3 H SER 3 27.318 -4.396 1.128
10 HA SER 3 HA SER 3 24.641 -3.628 0.164
11 HB2 SER 3 1HB SER 3 26.454 -2.721 -1.275
12 HB3 SER 3 2HB SER 3 27.025 -4.367 -1.551
13 HG SER 3 HG SER 3 24.480 -3.321 -2.252
14 H GLY 4 H GLY 4 25.076 -5.753 1.936
15 HA2 GLY 4 1HA GLY 4 25.281 -8.227 0.488
16 HA3 GLY 4 2HA GLY 4 24.840 -8.040 2.179
17 H SER 5 H SER 5 23.624 -7.905 -1.125
18 HA SER 5 HA SER 5 21.568 -8.314 -2.008
19 HB2 SER 5 1HB SER 5 21.093 -9.585 0.698
20 HB3 SER 5 2HB SER 5 19.998 -9.727 -0.678
21 HG SER 5 HG SER 5 22.610 -10.354 -1.251
22 H SER 6 H SER 6 22.037 -5.780 -0.913
23 HA SER 6 HA SER 6 20.417 -4.606 0.854
24 HB2 SER 6 1HB SER 6 20.756 -3.571 -1.971
25 HB3 SER 6 2HB SER 6 20.352 -2.610 -0.548
26 HG SER 6 HG SER 6 22.706 -2.943 -1.397
27 H GLY 7 H GLY 7 18.310 -3.695 0.906
28 HA2 GLY 7 1HA GLY 7 16.246 -3.503 -0.651
29 HA3 GLY 7 2HA GLY 7 16.382 -5.255 -0.673
30 H GLU 8 H GLU 8 16.243 -2.569 1.668
31 HA GLU 8 HA GLU 8 14.774 -4.329 3.499
32 HB2 GLU 8 1HB GLU 8 16.406 -1.848 3.860
33 HB3 GLU 8 2HB GLU 8 15.167 -2.237 5.044
34 HG2 GLU 8 1HG GLU 8 17.169 -4.305 4.265
35 HG3 GLU 8 2HG GLU 8 17.614 -3.031 5.398
36 H LYS 9 H LYS 9 12.731 -4.259 2.573
37 HA LYS 9 HA LYS 9 10.660 -3.451 2.075
38 HB2 LYS 9 1HB LYS 9 11.453 -1.587 4.315
39 HB3 LYS 9 2HB LYS 9 9.831 -1.658 3.640
40 HG2 LYS 9 1HG LYS 9 9.430 -3.778 4.492
41 HG3 LYS 9 2HG LYS 9 11.148 -4.125 4.700
42 HD2 LYS 9 1HD LYS 9 11.308 -2.727 6.589
43 HD3 LYS 9 2HD LYS 9 9.757 -1.955 6.248
44 HE2 LYS 9 1HE LYS 9 10.002 -4.884 6.885
45 HE3 LYS 9 2HE LYS 9 9.805 -3.657 8.136
46 HZ1 LYS 9 3HZ LYS 9 7.728 -2.992 7.136
47 HZ2 LYS 9 1HZ LYS 9 7.691 -4.651 7.465
48 HZ3 LYS 9 2HZ LYS 9 7.926 -4.108 5.881
49 HA PRO 10 HA PRO 10 12.590 0.124 -0.341
50 HB2 PRO 10 1HB PRO 10 12.659 -1.118 -2.754
51 HB3 PRO 10 2HB PRO 10 13.995 -1.187 -1.600
52 HG2 PRO 10 1HG PRO 10 11.848 -3.203 -2.135
53 HG3 PRO 10 2HG PRO 10 13.584 -3.459 -1.881
54 HD2 PRO 10 1HD PRO 10 11.752 -3.867 0.070
55 HD3 PRO 10 2HD PRO 10 13.401 -3.304 0.411
56 H TYR 11 H TYR 11 9.904 -2.040 -0.663
57 HA TYR 11 HA TYR 11 8.479 -0.072 -2.324
58 HB2 TYR 11 1HB TYR 11 7.674 -2.942 -1.839
59 HB3 TYR 11 2HB TYR 11 7.032 -1.839 -3.051
60 HD1 TYR 11 HD1 TYR 11 8.376 -1.258 -5.035
61 HD2 TYR 11 HD2 TYR 11 9.723 -4.134 -2.204
62 HE1 TYR 11 HE1 TYR 11 10.025 -2.080 -6.664
63 HE2 TYR 11 HE2 TYR 11 11.376 -4.964 -3.825
64 HH TYR 11 HH TYR 11 11.291 -4.195 -7.094
65 H GLY 12 H GLY 12 6.391 0.592 -1.746
66 HA2 GLY 12 1HA GLY 12 5.225 -0.315 0.745
67 HA3 GLY 12 2HA GLY 12 5.857 1.324 0.793
68 H CYS 13 H CYS 13 3.106 0.417 1.097
69 HA CYS 13 HA CYS 13 1.754 1.236 -1.332
70 HB2 CYS 13 1HB CYS 13 0.891 -0.600 0.136
71 HB3 CYS 13 2HB CYS 13 0.562 0.607 1.375
72 H ASN 14 H ASN 14 1.415 3.294 -1.808
73 HA ASN 14 HA ASN 14 1.560 5.316 0.281
74 HB2 ASN 14 1HB ASN 14 1.333 5.588 -2.725
75 HB3 ASN 14 2HB ASN 14 1.545 6.926 -1.600
76 HD21 ASN 14 1HD2 ASN 14 3.305 6.513 -3.651
77 HD22 ASN 14 2HD2 ASN 14 4.829 6.005 -3.016
78 H GLU 15 H GLU 15 -0.736 3.517 0.150
79 HA GLU 15 HA GLU 15 -2.857 5.500 -0.355
80 HB2 GLU 15 1HB GLU 15 -2.963 2.492 -0.617
81 HB3 GLU 15 2HB GLU 15 -4.374 3.538 -0.699
82 HG2 GLU 15 1HG GLU 15 -3.344 4.691 -2.636
83 HG3 GLU 15 2HG GLU 15 -2.032 3.515 -2.587
84 H CYS 16 H CYS 16 -1.981 2.679 1.626
85 HA CYS 16 HA CYS 16 -3.763 3.682 3.739
86 HB2 CYS 16 1HB CYS 16 -3.697 1.433 4.672
87 HB3 CYS 16 2HB CYS 16 -4.166 1.366 2.976
88 H GLY 17 H GLY 17 -0.492 2.419 3.178
89 HA2 GLY 17 1HA GLY 17 1.318 3.734 4.244
90 HA3 GLY 17 2HA GLY 17 0.327 3.736 5.695
91 H LYS 18 H LYS 18 1.076 1.082 3.463
92 HA LYS 18 HA LYS 18 2.141 -0.416 5.760
93 HB2 LYS 18 1HB LYS 18 0.541 -1.171 3.384
94 HB3 LYS 18 2HB LYS 18 1.770 -2.324 3.886
95 HG2 LYS 18 1HG LYS 18 0.755 -2.710 5.935
96 HG3 LYS 18 2HG LYS 18 -0.167 -1.205 5.872
97 HD2 LYS 18 1HD LYS 18 -1.765 -2.084 4.480
98 HD3 LYS 18 2HD LYS 18 -0.655 -3.259 3.771
99 HE2 LYS 18 1HE LYS 18 -0.970 -4.775 5.451
100 HE3 LYS 18 2HE LYS 18 -1.316 -3.533 6.654
101 HZ1 LYS 18 3HZ LYS 18 -3.294 -3.597 4.602
102 HZ2 LYS 18 1HZ LYS 18 -3.482 -3.720 6.279
103 HZ3 LYS 18 2HZ LYS 18 -3.149 -5.101 5.362
104 H ASP 19 H ASP 19 3.579 -2.360 4.660
105 HA ASP 19 HA ASP 19 5.475 -1.183 2.775
106 HB2 ASP 19 1HB ASP 19 6.534 -2.490 5.265
107 HB3 ASP 19 2HB ASP 19 7.366 -1.423 4.137
108 H PHE 20 H PHE 20 6.777 -2.706 1.682
109 HA PHE 20 HA PHE 20 6.374 -5.529 2.215
110 HB2 PHE 20 1HB PHE 20 5.724 -4.512 -0.543
111 HB3 PHE 20 2HB PHE 20 5.393 -6.098 0.145
112 HD1 PHE 20 HD2 PHE 20 4.481 -2.513 0.450
113 HD2 PHE 20 HD1 PHE 20 3.331 -6.558 1.108
114 HE1 PHE 20 HE2 PHE 20 2.223 -1.765 1.077
115 HE2 PHE 20 HE1 PHE 20 1.070 -5.816 1.735
116 HZ PHE 20 HZ PHE 20 0.514 -3.417 1.722
117 H SER 21 H SER 21 8.272 -6.495 1.998
118 HA SER 21 HA SER 21 10.554 -5.206 0.975
119 HB2 SER 21 1HB SER 21 9.976 -8.061 1.743
120 HB3 SER 21 2HB SER 21 11.545 -7.582 1.097
121 HG SER 21 HG SER 21 12.012 -6.862 3.002
122 H SER 22 H SER 22 8.437 -7.688 -0.399
123 HA SER 22 HA SER 22 9.927 -7.602 -2.912
124 HB2 SER 22 1HB SER 22 7.648 -9.382 -2.014
125 HB3 SER 22 2HB SER 22 8.468 -9.504 -3.570
126 HG SER 22 HG SER 22 10.050 -10.515 -2.631
127 H LYS 23 H LYS 23 9.136 -6.781 -4.784
128 HA LYS 23 HA LYS 23 7.187 -4.778 -4.714
129 HB2 LYS 23 1HB LYS 23 8.998 -4.955 -6.410
130 HB3 LYS 23 2HB LYS 23 8.147 -6.312 -7.137
131 HG2 LYS 23 1HG LYS 23 6.368 -4.948 -7.852
132 HG3 LYS 23 2HG LYS 23 6.882 -3.607 -6.825
133 HD2 LYS 23 1HD LYS 23 8.933 -3.395 -8.184
134 HD3 LYS 23 2HD LYS 23 8.345 -4.685 -9.236
135 HE2 LYS 23 1HE LYS 23 7.627 -2.869 -10.417
136 HE3 LYS 23 2HE LYS 23 6.224 -3.119 -9.380
137 HZ1 LYS 23 3HZ LYS 23 6.982 -0.783 -9.495
138 HZ2 LYS 23 1HZ LYS 23 8.435 -1.239 -8.759
139 HZ3 LYS 23 2HZ LYS 23 6.975 -1.404 -7.922
140 H SER 24 H SER 24 6.987 -8.154 -5.751
141 HA SER 24 HA SER 24 4.477 -8.198 -6.886
142 HB2 SER 24 1HB SER 24 5.585 -10.353 -5.074
143 HB3 SER 24 2HB SER 24 4.400 -10.557 -6.363
144 HG SER 24 HG SER 24 7.142 -9.891 -6.604
145 H TYR 25 H TYR 25 5.163 -9.032 -3.483
146 HA TYR 25 HA TYR 25 2.695 -9.331 -2.462
147 HB2 TYR 25 1HB TYR 25 5.090 -7.936 -1.297
148 HB3 TYR 25 2HB TYR 25 3.602 -8.099 -0.371
149 HD1 TYR 25 HD1 TYR 25 2.698 -10.788 -1.091
150 HD2 TYR 25 HD2 TYR 25 6.625 -9.361 -0.292
151 HE1 TYR 25 HE1 TYR 25 3.372 -13.050 -0.400
152 HE2 TYR 25 HE2 TYR 25 7.311 -11.620 0.401
153 HH TYR 25 HH TYR 25 5.197 -14.384 0.005
154 H LEU 26 H LEU 26 4.246 -6.193 -3.053
155 HA LEU 26 HA LEU 26 2.131 -4.604 -2.083
156 HB2 LEU 26 1HB LEU 26 4.232 -3.575 -2.322
157 HB3 LEU 26 2HB LEU 26 4.383 -4.090 -4.000
158 HG LEU 26 HG LEU 26 2.393 -2.521 -4.445
159 HD11 LEU 26 1HD1 LEU 26 3.300 -1.510 -1.755
160 HD12 LEU 26 2HD1 LEU 26 1.705 -2.137 -2.171
161 HD13 LEU 26 3HD1 LEU 26 2.266 -0.619 -2.873
162 HD21 LEU 26 3HD2 LEU 26 4.309 -1.770 -5.420
163 HD22 LEU 26 1HD2 LEU 26 5.230 -1.823 -3.917
164 HD23 LEU 26 2HD2 LEU 26 4.096 -0.504 -4.210
165 H ILE 27 H ILE 27 3.069 -5.207 -5.475
166 HA ILE 27 HA ILE 27 0.992 -4.051 -6.788
167 HB ILE 27 HB ILE 27 2.247 -6.712 -7.472
168 HG12 ILE 27 1HG1 ILE 27 2.890 -3.973 -8.572
169 HG13 ILE 27 2HG1 ILE 27 3.763 -4.696 -7.225
170 HG21 ILE 27 1HG2 ILE 27 0.778 -4.813 -9.293
171 HG22 ILE 27 2HG2 ILE 27 1.455 -6.385 -9.713
172 HG23 ILE 27 3HG2 ILE 27 0.081 -6.283 -8.614
173 HD11 ILE 27 3HD1 ILE 27 4.923 -4.965 -9.366
174 HD12 ILE 27 1HD1 ILE 27 4.498 -6.511 -8.633
175 HD13 ILE 27 2HD1 ILE 27 3.548 -5.883 -9.980
176 H VAL 28 H VAL 28 0.963 -7.184 -5.167
177 HA VAL 28 HA VAL 28 -1.651 -7.916 -6.046
178 HB VAL 28 HB VAL 28 -0.032 -8.944 -3.711
179 HG11 VAL 28 1HG1 VAL 28 -2.596 -9.271 -3.724
180 HG12 VAL 28 2HG1 VAL 28 -2.281 -10.418 -5.028
181 HG13 VAL 28 3HG1 VAL 28 -1.561 -10.669 -3.437
182 HG21 VAL 28 3HG2 VAL 28 -0.435 -10.134 -6.453
183 HG22 VAL 28 1HG2 VAL 28 1.002 -9.249 -5.942
184 HG23 VAL 28 2HG2 VAL 28 0.581 -10.772 -5.159
185 H HIS 29 H HIS 29 -0.348 -6.425 -3.113
186 HA HIS 29 HA HIS 29 -2.770 -6.386 -1.661
187 HB2 HIS 29 1HB HIS 29 -0.733 -6.088 -0.454
188 HB3 HIS 29 2HB HIS 29 -0.258 -4.724 -1.461
189 HD1 HIS 29 HD1 HIS 29 -2.581 -5.646 1.343
190 HD2 HIS 29 HD2 HIS 29 -1.290 -2.265 -0.698
191 HE1 HIS 29 HE1 HIS 29 -3.429 -3.691 2.677
192 H GLN 30 H GLN 30 -1.125 -3.797 -3.481
193 HA GLN 30 HA GLN 30 -2.793 -1.708 -3.205
194 HB2 GLN 30 1HB GLN 30 -1.429 -2.730 -5.683
195 HB3 GLN 30 2HB GLN 30 -2.359 -1.238 -5.702
196 HG2 GLN 30 1HG GLN 30 -0.900 -0.473 -3.777
197 HG3 GLN 30 2HG GLN 30 0.130 -1.855 -4.146
198 HE21 GLN 30 1HE2 GLN 30 1.344 0.456 -4.285
199 HE22 GLN 30 2HE2 GLN 30 1.583 0.976 -5.915
200 H ARG 31 H ARG 31 -3.559 -4.697 -4.774
201 HA ARG 31 HA ARG 31 -5.722 -3.925 -6.362
202 HB2 ARG 31 1HB ARG 31 -5.370 -6.522 -4.854
203 HB3 ARG 31 2HB ARG 31 -6.449 -6.259 -6.217
204 HG2 ARG 31 1HG ARG 31 -4.567 -5.878 -7.683
205 HG3 ARG 31 2HG ARG 31 -3.450 -6.016 -6.324
206 HD2 ARG 31 1HD ARG 31 -3.306 -8.139 -7.143
207 HD3 ARG 31 2HD ARG 31 -4.662 -8.349 -6.035
208 HE ARG 31 HE ARG 31 -6.074 -8.606 -7.841
209 HH11 ARG 31 1HH1 ARG 31 -2.932 -7.560 -8.914
210 HH12 ARG 31 2HH1 ARG 31 -3.258 -7.865 -10.588
211 HH21 ARG 31 1HH2 ARG 31 -6.516 -9.012 -10.042
212 HH22 ARG 31 2HH2 ARG 31 -5.298 -8.690 -11.229
213 H ILE 32 H ILE 32 -5.635 -4.934 -2.960
214 HA ILE 32 HA ILE 32 -8.346 -4.939 -2.411
215 HB ILE 32 HB ILE 32 -7.811 -4.671 -0.104
216 HG12 ILE 32 1HG1 ILE 32 -4.961 -3.969 -0.591
217 HG13 ILE 32 2HG1 ILE 32 -6.152 -2.691 -0.806
218 HG21 ILE 32 1HG2 ILE 32 -6.694 -6.604 0.077
219 HG22 ILE 32 2HG2 ILE 32 -6.683 -6.586 -1.686
220 HG23 ILE 32 3HG2 ILE 32 -5.289 -5.984 -0.790
221 HD11 ILE 32 3HD1 ILE 32 -5.439 -2.485 1.402
222 HD12 ILE 32 1HD1 ILE 32 -6.988 -3.320 1.516
223 HD13 ILE 32 2HD1 ILE 32 -5.483 -4.226 1.675
224 H HIS 33 H HIS 33 -6.411 -2.317 -3.319
225 HA HIS 33 HA HIS 33 -8.319 -0.376 -2.205
226 HB2 HIS 33 1HB HIS 33 -5.521 0.023 -3.282
227 HB3 HIS 33 2HB HIS 33 -6.574 1.324 -2.735
228 HD1 HIS 33 HD1 HIS 33 -7.441 0.863 -0.099
229 HD2 HIS 33 HD2 HIS 33 -3.843 -0.803 -1.341
230 HE1 HIS 33 HE1 HIS 33 -6.172 0.353 2.012
231 H THR 34 H THR 34 -6.884 -1.575 -5.163
232 HA THR 34 HA THR 34 -7.647 0.348 -6.989
233 HB THR 34 HB THR 34 -7.817 -1.538 -8.654
234 HG1 THR 34 HG1 THR 34 -7.122 -3.610 -7.791
235 HG21 THR 34 3HG2 THR 34 -5.313 -2.187 -7.321
236 HG22 THR 34 1HG2 THR 34 -5.607 -0.451 -7.398
237 HG23 THR 34 2HG2 THR 34 -5.593 -1.409 -8.878
238 H GLY 35 H GLY 35 -9.472 0.725 -8.246
239 HA2 GLY 35 1HA GLY 35 -11.702 -0.242 -8.917
240 HA3 GLY 35 2HA GLY 35 -11.951 -0.491 -7.196
241 H GLU 36 H GLU 36 -12.079 1.744 -9.804
242 HA GLU 36 HA GLU 36 -12.432 4.073 -8.134
243 HB2 GLU 36 1HB GLU 36 -11.406 4.098 -10.448
244 HB3 GLU 36 2HB GLU 36 -13.022 3.823 -11.083
245 HG2 GLU 36 1HG GLU 36 -12.383 6.180 -11.163
246 HG3 GLU 36 2HG GLU 36 -13.790 5.908 -10.138
247 H LYS 37 H LYS 37 -14.543 2.689 -10.651
248 HA LYS 37 HA LYS 37 -16.837 3.156 -8.864
249 HB2 LYS 37 1HB LYS 37 -18.149 4.008 -10.654
250 HB3 LYS 37 2HB LYS 37 -16.618 4.871 -10.707
251 HG2 LYS 37 1HG LYS 37 -15.969 3.888 -12.663
252 HG3 LYS 37 2HG LYS 37 -16.914 2.426 -12.370
253 HD2 LYS 37 1HD LYS 37 -18.385 4.980 -12.753
254 HD3 LYS 37 2HD LYS 37 -17.642 4.234 -14.170
255 HE2 LYS 37 1HE LYS 37 -19.357 2.638 -12.299
256 HE3 LYS 37 2HE LYS 37 -20.076 3.620 -13.574
257 HZ1 LYS 37 3HZ LYS 37 -19.445 2.178 -15.140
258 HZ2 LYS 37 1HZ LYS 37 -19.241 1.077 -13.871
259 HZ3 LYS 37 2HZ LYS 37 -17.912 1.938 -14.464
260 H LEU 38 H LEU 38 -15.320 1.208 -11.320
261 HA LEU 38 HA LEU 38 -17.447 -0.551 -11.865
262 HB2 LEU 38 1HB LEU 38 -15.935 -1.801 -13.044
263 HB3 LEU 38 2HB LEU 38 -15.129 -0.234 -13.015
264 HG LEU 38 HG LEU 38 -14.490 -2.447 -11.074
265 HD11 LEU 38 1HD1 LEU 38 -13.736 -2.123 -13.880
266 HD12 LEU 38 2HD1 LEU 38 -13.638 -3.537 -12.832
267 HD13 LEU 38 3HD1 LEU 38 -12.370 -2.312 -12.781
268 HD21 LEU 38 3HD2 LEU 38 -12.603 -1.179 -10.510
269 HD22 LEU 38 1HD2 LEU 38 -13.915 -0.005 -10.597
270 HD23 LEU 38 2HD2 LEU 38 -12.765 -0.142 -11.927
271 H SER 39 H SER 39 -18.254 -2.266 -10.812
272 HA SER 39 HA SER 39 -18.780 -3.487 -8.933
273 HB2 SER 39 1HB SER 39 -16.056 -4.277 -9.851
274 HB3 SER 39 2HB SER 39 -16.632 -4.950 -8.326
275 HG SER 39 HG SER 39 -17.143 -5.953 -10.584
276 H GLY 40 H GLY 40 -18.019 -0.833 -8.255
277 HA2 GLY 40 1HA GLY 40 -17.484 0.417 -6.407
278 HA3 GLY 40 2HA GLY 40 -17.682 -1.067 -5.487
279 HA PRO 41 HA PRO 41 -13.286 0.197 -4.999
280 HB2 PRO 41 1HB PRO 41 -13.142 -0.535 -2.388
281 HB3 PRO 41 2HB PRO 41 -13.743 1.043 -2.912
282 HG2 PRO 41 1HG PRO 41 -15.279 -1.399 -2.115
283 HG3 PRO 41 2HG PRO 41 -15.575 0.297 -1.690
284 HD2 PRO 41 1HD PRO 41 -16.964 -0.983 -3.630
285 HD3 PRO 41 2HD PRO 41 -16.600 0.753 -3.703
286 H SER 42 H SER 42 -15.030 -2.665 -5.008
287 HA SER 42 HA SER 42 -14.452 -4.844 -5.322
288 HB2 SER 42 1HB SER 42 -12.735 -3.793 -6.858
289 HB3 SER 42 2HB SER 42 -11.585 -3.906 -5.526
290 HG SER 42 HG SER 42 -12.496 -6.263 -5.605
291 H SER 43 H SER 43 -14.657 -3.804 -2.693
292 HA SER 43 HA SER 43 -12.547 -5.187 -1.204
293 HB2 SER 43 1HB SER 43 -14.640 -3.166 -0.421
294 HB3 SER 43 2HB SER 43 -13.751 -4.089 0.790
295 HG SER 43 HG SER 43 -11.852 -3.263 -0.605
296 H GLY 44 H GLY 44 -13.299 -7.310 -1.767
297 HA2 GLY 44 1HA GLY 44 -14.980 -8.454 0.195
298 HA3 GLY 44 2HA GLY 44 -15.872 -8.294 -1.311
Start of MODEL 11
1 H1 GLY 1 H GLY 1 14.020 12.869 6.841
2 HA2 GLY 1 1HA GLY 1 15.551 13.081 5.132
3 HA3 GLY 1 2HA GLY 1 16.546 11.883 5.946
4 H SER 2 H SER 2 16.895 10.111 4.804
5 HA SER 2 HA SER 2 14.822 8.642 3.541
6 HB2 SER 2 1HB SER 2 15.101 10.486 1.881
7 HB3 SER 2 2HB SER 2 16.779 9.988 1.664
8 HG SER 2 HG SER 2 16.011 8.650 0.249
9 H SER 3 H SER 3 15.505 6.599 2.833
10 HA SER 3 HA SER 3 17.803 5.585 4.140
11 HB2 SER 3 1HB SER 3 17.175 3.457 3.274
12 HB3 SER 3 2HB SER 3 15.668 4.315 3.591
13 HG SER 3 HG SER 3 16.250 3.190 1.386
14 H GLY 4 H GLY 4 19.810 5.081 3.406
15 HA2 GLY 4 1HA GLY 4 20.672 6.349 0.966
16 HA3 GLY 4 2HA GLY 4 21.688 5.484 2.111
17 H SER 5 H SER 5 19.306 5.004 -0.468
18 HA SER 5 HA SER 5 18.897 3.184 -1.812
19 HB2 SER 5 1HB SER 5 20.739 2.681 -3.249
20 HB3 SER 5 2HB SER 5 20.919 4.371 -2.779
21 HG SER 5 HG SER 5 22.267 2.161 -1.609
22 H SER 6 H SER 6 18.932 2.416 0.881
23 HA SER 6 HA SER 6 20.498 -0.035 1.030
24 HB2 SER 6 1HB SER 6 18.652 1.299 3.024
25 HB3 SER 6 2HB SER 6 19.536 -0.195 3.333
26 HG SER 6 HG SER 6 20.401 2.234 3.704
27 H GLY 7 H GLY 7 19.609 -2.101 1.240
28 HA2 GLY 7 1HA GLY 7 17.103 -2.454 -0.160
29 HA3 GLY 7 2HA GLY 7 18.192 -3.726 0.372
30 H GLU 8 H GLU 8 16.219 -1.188 1.925
31 HA GLU 8 HA GLU 8 15.064 -3.282 3.639
32 HB2 GLU 8 1HB GLU 8 14.987 -1.346 5.398
33 HB3 GLU 8 2HB GLU 8 16.458 -2.284 5.184
34 HG2 GLU 8 1HG GLU 8 17.434 -0.548 3.842
35 HG3 GLU 8 2HG GLU 8 15.930 0.371 3.872
36 H LYS 9 H LYS 9 13.007 -3.423 3.023
37 HA LYS 9 HA LYS 9 10.905 -2.854 2.342
38 HB2 LYS 9 1HB LYS 9 11.499 -0.636 4.305
39 HB3 LYS 9 2HB LYS 9 9.904 -0.928 3.623
40 HG2 LYS 9 1HG LYS 9 9.897 -3.169 4.609
41 HG3 LYS 9 2HG LYS 9 11.489 -2.858 5.308
42 HD2 LYS 9 1HD LYS 9 10.388 -0.817 6.408
43 HD3 LYS 9 2HD LYS 9 8.855 -1.583 5.985
44 HE2 LYS 9 1HE LYS 9 10.968 -3.122 7.441
45 HE3 LYS 9 2HE LYS 9 9.906 -2.022 8.318
46 HZ1 LYS 9 3HZ LYS 9 9.279 -4.551 6.995
47 HZ2 LYS 9 1HZ LYS 9 8.093 -3.345 6.967
48 HZ3 LYS 9 2HZ LYS 9 8.686 -3.913 8.445
49 HA PRO 10 HA PRO 10 12.626 0.477 -0.534
50 HB2 PRO 10 1HB PRO 10 12.832 -1.085 -2.745
51 HB3 PRO 10 2HB PRO 10 14.146 -0.894 -1.578
52 HG2 PRO 10 1HG PRO 10 12.156 -3.115 -1.844
53 HG3 PRO 10 2HG PRO 10 13.900 -3.206 -1.538
54 HD2 PRO 10 1HD PRO 10 12.060 -3.466 0.431
55 HD3 PRO 10 2HD PRO 10 13.658 -2.743 0.707
56 H TYR 11 H TYR 11 10.080 -1.853 -0.511
57 HA TYR 11 HA TYR 11 8.553 -0.233 -2.441
58 HB2 TYR 11 1HB TYR 11 8.038 -3.111 -1.675
59 HB3 TYR 11 2HB TYR 11 7.247 -2.198 -2.955
60 HD1 TYR 11 HD1 TYR 11 8.534 -1.568 -4.993
61 HD2 TYR 11 HD2 TYR 11 10.135 -4.174 -2.036
62 HE1 TYR 11 HE1 TYR 11 10.229 -2.340 -6.600
63 HE2 TYR 11 HE2 TYR 11 11.835 -4.953 -3.634
64 HH TYR 11 HH TYR 11 12.959 -3.919 -5.776
65 H GLY 12 H GLY 12 6.546 0.518 -1.892
66 HA2 GLY 12 1HA GLY 12 5.302 -0.322 0.596
67 HA3 GLY 12 2HA GLY 12 5.886 1.335 0.570
68 H CYS 13 H CYS 13 3.165 0.468 0.887
69 HA CYS 13 HA CYS 13 1.830 0.994 -1.624
70 HB2 CYS 13 1HB CYS 13 0.894 -0.632 -0.029
71 HB3 CYS 13 2HB CYS 13 0.698 0.651 1.161
72 H ASN 14 H ASN 14 1.321 2.943 -2.356
73 HA ASN 14 HA ASN 14 1.543 5.237 -0.561
74 HB2 ASN 14 1HB ASN 14 1.509 4.933 -3.556
75 HB3 ASN 14 2HB ASN 14 1.284 6.506 -2.796
76 HD21 ASN 14 1HD2 ASN 14 2.981 7.173 -1.259
77 HD22 ASN 14 2HD2 ASN 14 4.615 6.746 -1.620
78 H GLU 15 H GLU 15 -0.733 3.484 -0.336
79 HA GLU 15 HA GLU 15 -2.865 5.379 -1.070
80 HB2 GLU 15 1HB GLU 15 -2.943 2.361 -1.096
81 HB3 GLU 15 2HB GLU 15 -4.382 3.366 -1.183
82 HG2 GLU 15 1HG GLU 15 -2.206 3.869 -3.137
83 HG3 GLU 15 2HG GLU 15 -3.203 2.430 -3.344
84 H CYS 16 H CYS 16 -1.747 2.932 1.218
85 HA CYS 16 HA CYS 16 -3.511 4.135 3.251
86 HB2 CYS 16 1HB CYS 16 -3.702 1.991 4.327
87 HB3 CYS 16 2HB CYS 16 -4.111 1.788 2.627
88 H GLY 17 H GLY 17 -0.387 2.568 2.657
89 HA2 GLY 17 1HA GLY 17 1.554 3.811 3.593
90 HA3 GLY 17 2HA GLY 17 0.630 3.913 5.085
91 H LYS 18 H LYS 18 0.854 1.082 3.004
92 HA LYS 18 HA LYS 18 1.936 -0.423 5.264
93 HB2 LYS 18 1HB LYS 18 -0.107 -1.121 3.814
94 HB3 LYS 18 2HB LYS 18 1.103 -1.631 2.644
95 HG2 LYS 18 1HG LYS 18 2.052 -3.177 4.225
96 HG3 LYS 18 2HG LYS 18 0.971 -2.595 5.494
97 HD2 LYS 18 1HD LYS 18 -0.943 -3.465 4.361
98 HD3 LYS 18 2HD LYS 18 0.008 -3.837 2.921
99 HE2 LYS 18 1HE LYS 18 -0.089 -5.909 3.888
100 HE3 LYS 18 2HE LYS 18 1.391 -5.295 4.622
101 HZ1 LYS 18 3HZ LYS 18 0.480 -5.554 6.606
102 HZ2 LYS 18 1HZ LYS 18 -0.934 -6.161 5.902
103 HZ3 LYS 18 2HZ LYS 18 -0.783 -4.504 6.202
104 H ASP 19 H ASP 19 3.659 -1.985 4.906
105 HA ASP 19 HA ASP 19 5.518 -1.153 2.775
106 HB2 ASP 19 1HB ASP 19 6.580 -2.258 5.335
107 HB3 ASP 19 2HB ASP 19 7.307 -1.100 4.224
108 H PHE 20 H PHE 20 6.680 -2.743 1.735
109 HA PHE 20 HA PHE 20 6.141 -5.524 2.514
110 HB2 PHE 20 1HB PHE 20 6.067 -4.548 -0.345
111 HB3 PHE 20 2HB PHE 20 5.680 -6.163 0.240
112 HD1 PHE 20 HD2 PHE 20 4.585 -2.622 0.434
113 HD2 PHE 20 HD1 PHE 20 3.497 -6.719 0.810
114 HE1 PHE 20 HE2 PHE 20 2.223 -1.971 0.652
115 HE2 PHE 20 HE1 PHE 20 1.133 -6.075 1.027
116 HZ PHE 20 HZ PHE 20 0.493 -3.698 0.950
117 H SER 21 H SER 21 7.746 -7.022 1.974
118 HA SER 21 HA SER 21 10.391 -5.913 1.805
119 HB2 SER 21 1HB SER 21 11.148 -8.241 2.038
120 HB3 SER 21 2HB SER 21 9.919 -7.854 3.242
121 HG SER 21 HG SER 21 8.492 -8.748 1.369
122 H SER 22 H SER 22 8.096 -7.157 -0.415
123 HA SER 22 HA SER 22 10.129 -7.088 -2.543
124 HB2 SER 22 1HB SER 22 7.782 -8.995 -2.404
125 HB3 SER 22 2HB SER 22 8.990 -8.921 -3.686
126 HG SER 22 HG SER 22 9.527 -9.509 -0.960
127 H LYS 23 H LYS 23 8.836 -7.101 -4.772
128 HA LYS 23 HA LYS 23 7.169 -4.717 -4.665
129 HB2 LYS 23 1HB LYS 23 8.969 -4.721 -6.283
130 HB3 LYS 23 2HB LYS 23 8.390 -6.227 -6.981
131 HG2 LYS 23 1HG LYS 23 6.593 -5.207 -8.022
132 HG3 LYS 23 2HG LYS 23 6.630 -3.813 -6.940
133 HD2 LYS 23 1HD LYS 23 8.536 -2.914 -8.005
134 HD3 LYS 23 2HD LYS 23 8.867 -4.424 -8.857
135 HE2 LYS 23 1HE LYS 23 6.260 -3.072 -9.333
136 HE3 LYS 23 2HE LYS 23 7.707 -2.372 -10.057
137 HZ1 LYS 23 3HZ LYS 23 8.039 -4.201 -11.380
138 HZ2 LYS 23 1HZ LYS 23 6.348 -4.148 -11.339
139 HZ3 LYS 23 2HZ LYS 23 7.184 -5.249 -10.364
140 H SER 24 H SER 24 6.976 -8.092 -5.674
141 HA SER 24 HA SER 24 4.488 -8.046 -6.926
142 HB2 SER 24 1HB SER 24 4.384 -10.500 -6.110
143 HB3 SER 24 2HB SER 24 5.711 -10.036 -7.176
144 HG SER 24 HG SER 24 5.788 -10.945 -4.621
145 H TYR 25 H TYR 25 5.194 -8.962 -3.550
146 HA TYR 25 HA TYR 25 2.658 -9.341 -2.611
147 HB2 TYR 25 1HB TYR 25 4.961 -8.000 -1.180
148 HB3 TYR 25 2HB TYR 25 3.512 -8.610 -0.388
149 HD1 TYR 25 HD1 TYR 25 3.133 -11.161 -1.879
150 HD2 TYR 25 HD2 TYR 25 6.653 -9.362 -0.305
151 HE1 TYR 25 HE1 TYR 25 4.172 -13.381 -1.681
152 HE2 TYR 25 HE2 TYR 25 7.702 -11.577 -0.104
153 HH TYR 25 HH TYR 25 6.329 -14.397 -1.518
154 H LEU 26 H LEU 26 4.203 -6.320 -3.406
155 HA LEU 26 HA LEU 26 2.239 -4.668 -2.120
156 HB2 LEU 26 1HB LEU 26 4.375 -3.713 -2.349
157 HB3 LEU 26 2HB LEU 26 4.474 -4.145 -4.055
158 HG LEU 26 HG LEU 26 2.739 -2.455 -4.548
159 HD11 LEU 26 1HD1 LEU 26 3.034 -1.788 -1.623
160 HD12 LEU 26 2HD1 LEU 26 1.590 -2.409 -2.423
161 HD13 LEU 26 3HD1 LEU 26 2.189 -0.797 -2.813
162 HD21 LEU 26 3HD2 LEU 26 5.332 -1.714 -3.260
163 HD22 LEU 26 1HD2 LEU 26 4.231 -0.453 -3.816
164 HD23 LEU 26 2HD2 LEU 26 4.860 -1.641 -4.959
165 H ILE 27 H ILE 27 3.024 -5.360 -5.530
166 HA ILE 27 HA ILE 27 0.949 -3.974 -6.722
167 HB ILE 27 HB ILE 27 2.187 -6.578 -7.622
168 HG12 ILE 27 1HG1 ILE 27 2.800 -3.717 -8.394
169 HG13 ILE 27 2HG1 ILE 27 3.782 -4.712 -7.324
170 HG21 ILE 27 1HG2 ILE 27 0.784 -4.582 -9.372
171 HG22 ILE 27 2HG2 ILE 27 1.265 -6.235 -9.753
172 HG23 ILE 27 3HG2 ILE 27 -0.063 -5.940 -8.631
173 HD11 ILE 27 3HD1 ILE 27 4.931 -5.282 -9.130
174 HD12 ILE 27 1HD1 ILE 27 3.533 -6.247 -9.603
175 HD13 ILE 27 2HD1 ILE 27 3.715 -4.601 -10.211
176 H VAL 28 H VAL 28 0.935 -7.153 -5.225
177 HA VAL 28 HA VAL 28 -1.679 -7.872 -6.132
178 HB VAL 28 HB VAL 28 -0.060 -8.983 -3.835
179 HG11 VAL 28 1HG1 VAL 28 -2.687 -9.320 -4.077
180 HG12 VAL 28 2HG1 VAL 28 -2.157 -10.570 -5.204
181 HG13 VAL 28 3HG1 VAL 28 -1.619 -10.609 -3.525
182 HG21 VAL 28 3HG2 VAL 28 1.174 -10.024 -5.361
183 HG22 VAL 28 1HG2 VAL 28 -0.276 -10.752 -6.053
184 HG23 VAL 28 2HG2 VAL 28 0.292 -9.189 -6.640
185 H HIS 29 H HIS 29 -0.367 -6.340 -3.248
186 HA HIS 29 HA HIS 29 -2.778 -6.414 -1.741
187 HB2 HIS 29 1HB HIS 29 -0.774 -6.136 -0.507
188 HB3 HIS 29 2HB HIS 29 -0.248 -4.790 -1.514
189 HD1 HIS 29 HD1 HIS 29 -2.673 -5.630 1.239
190 HD2 HIS 29 HD2 HIS 29 -1.159 -2.301 -0.732
191 HE1 HIS 29 HE1 HIS 29 -3.459 -3.647 2.569
192 H GLN 30 H GLN 30 -1.183 -3.827 -3.598
193 HA GLN 30 HA GLN 30 -2.859 -1.733 -3.221
194 HB2 GLN 30 1HB GLN 30 -1.412 -2.684 -5.667
195 HB3 GLN 30 2HB GLN 30 -2.448 -1.266 -5.760
196 HG2 GLN 30 1HG GLN 30 -1.129 -0.296 -3.863
197 HG3 GLN 30 2HG GLN 30 -0.011 -1.648 -4.044
198 HE21 GLN 30 1HE2 GLN 30 1.655 -0.176 -4.527
199 HE22 GLN 30 2HE2 GLN 30 1.773 0.567 -6.082
200 H ARG 31 H ARG 31 -3.637 -4.711 -4.755
201 HA ARG 31 HA ARG 31 -5.799 -3.912 -6.361
202 HB2 ARG 31 1HB ARG 31 -5.429 -6.543 -4.918
203 HB3 ARG 31 2HB ARG 31 -6.495 -6.252 -6.286
204 HG2 ARG 31 1HG ARG 31 -4.608 -5.833 -7.725
205 HG3 ARG 31 2HG ARG 31 -3.499 -5.975 -6.360
206 HD2 ARG 31 1HD ARG 31 -3.402 -8.045 -7.486
207 HD3 ARG 31 2HD ARG 31 -4.392 -8.323 -6.053
208 HE ARG 31 HE ARG 31 -5.856 -7.670 -8.461
209 HH11 ARG 31 1HH1 ARG 31 -4.559 -10.181 -6.428
210 HH12 ARG 31 2HH1 ARG 31 -5.636 -11.400 -7.025
211 HH21 ARG 31 1HH2 ARG 31 -7.280 -9.266 -9.254
212 HH22 ARG 31 2HH2 ARG 31 -7.182 -10.879 -8.632
213 H ILE 32 H ILE 32 -5.641 -4.896 -2.964
214 HA ILE 32 HA ILE 32 -8.375 -4.959 -2.417
215 HB ILE 32 HB ILE 32 -7.831 -4.801 -0.108
216 HG12 ILE 32 1HG1 ILE 32 -4.985 -4.063 -0.553
217 HG13 ILE 32 2HG1 ILE 32 -6.180 -2.783 -0.730
218 HG21 ILE 32 1HG2 ILE 32 -6.139 -6.489 0.137
219 HG22 ILE 32 2HG2 ILE 32 -7.076 -6.833 -1.316
220 HG23 ILE 32 3HG2 ILE 32 -5.473 -6.111 -1.452
221 HD11 ILE 32 3HD1 ILE 32 -5.500 -4.396 1.696
222 HD12 ILE 32 1HD1 ILE 32 -5.504 -2.645 1.488
223 HD13 ILE 32 2HD1 ILE 32 -7.029 -3.527 1.564
224 H HIS 33 H HIS 33 -6.489 -2.341 -3.335
225 HA HIS 33 HA HIS 33 -8.303 -0.407 -2.065
226 HB2 HIS 33 1HB HIS 33 -5.557 -0.055 -3.278
227 HB3 HIS 33 2HB HIS 33 -6.566 1.285 -2.742
228 HD1 HIS 33 HD1 HIS 33 -7.360 0.926 -0.066
229 HD2 HIS 33 HD2 HIS 33 -3.834 -0.848 -1.364
230 HE1 HIS 33 HE1 HIS 33 -6.034 0.460 2.020
231 H THR 34 H THR 34 -7.251 -1.712 -5.096
232 HA THR 34 HA THR 34 -8.009 0.271 -6.881
233 HB THR 34 HB THR 34 -8.307 -1.505 -8.549
234 HG1 THR 34 HG1 THR 34 -7.728 -3.481 -6.643
235 HG21 THR 34 3HG2 THR 34 -6.061 -1.045 -8.389
236 HG22 THR 34 1HG2 THR 34 -6.060 -2.756 -7.966
237 HG23 THR 34 2HG2 THR 34 -5.970 -1.534 -6.698
238 H GLY 35 H GLY 35 -9.893 1.305 -6.976
239 HA2 GLY 35 1HA GLY 35 -12.152 1.699 -7.074
240 HA3 GLY 35 2HA GLY 35 -12.313 0.030 -7.601
241 H GLU 36 H GLU 36 -10.973 1.032 -4.510
242 HA GLU 36 HA GLU 36 -13.333 -0.145 -3.192
243 HB2 GLU 36 1HB GLU 36 -11.237 -1.508 -3.019
244 HB3 GLU 36 2HB GLU 36 -10.497 -0.172 -2.150
245 HG2 GLU 36 1HG GLU 36 -12.989 -1.589 -1.245
246 HG3 GLU 36 2HG GLU 36 -11.363 -2.004 -0.707
247 H LYS 37 H LYS 37 -10.793 2.297 -3.008
248 HA LYS 37 HA LYS 37 -11.122 3.574 -0.693
249 HB2 LYS 37 1HB LYS 37 -10.847 5.752 -1.913
250 HB3 LYS 37 2HB LYS 37 -9.676 4.514 -2.348
251 HG2 LYS 37 1HG LYS 37 -11.468 4.016 -4.237
252 HG3 LYS 37 2HG LYS 37 -11.860 5.713 -3.951
253 HD2 LYS 37 1HD LYS 37 -10.240 5.974 -5.535
254 HD3 LYS 37 2HD LYS 37 -9.222 5.956 -4.093
255 HE2 LYS 37 1HE LYS 37 -8.587 3.714 -4.447
256 HE3 LYS 37 2HE LYS 37 -9.869 3.455 -5.628
257 HZ1 LYS 37 3HZ LYS 37 -8.657 4.360 -7.271
258 HZ2 LYS 37 1HZ LYS 37 -7.341 3.978 -6.279
259 HZ3 LYS 37 2HZ LYS 37 -7.971 5.547 -6.281
260 H LEU 38 H LEU 38 -12.543 4.945 0.335
261 HA LEU 38 HA LEU 38 -15.247 5.057 -0.822
262 HB2 LEU 38 1HB LEU 38 -15.079 3.770 1.246
263 HB3 LEU 38 2HB LEU 38 -14.381 5.167 2.064
264 HG LEU 38 HG LEU 38 -17.101 5.386 0.848
265 HD11 LEU 38 1HD1 LEU 38 -18.117 4.061 2.320
266 HD12 LEU 38 2HD1 LEU 38 -17.132 4.654 3.657
267 HD13 LEU 38 3HD1 LEU 38 -16.529 3.357 2.626
268 HD21 LEU 38 3HD2 LEU 38 -17.010 6.638 3.305
269 HD22 LEU 38 1HD2 LEU 38 -16.805 7.410 1.733
270 HD23 LEU 38 2HD2 LEU 38 -15.392 6.892 2.651
271 H SER 39 H SER 39 -12.908 6.905 1.106
272 HA SER 39 HA SER 39 -14.429 9.336 0.904
273 HB2 SER 39 1HB SER 39 -12.482 10.372 2.023
274 HB3 SER 39 2HB SER 39 -13.028 8.924 2.868
275 HG SER 39 HG SER 39 -11.317 7.792 1.985
276 H GLY 40 H GLY 40 -14.644 9.525 -1.387
277 HA2 GLY 40 1HA GLY 40 -14.085 10.448 -3.413
278 HA3 GLY 40 2HA GLY 40 -12.755 11.237 -2.579
279 HA PRO 41 HA PRO 41 -11.419 7.600 -5.420
280 HB2 PRO 41 1HB PRO 41 -10.929 8.935 -7.732
281 HB3 PRO 41 2HB PRO 41 -12.485 8.180 -7.371
282 HG2 PRO 41 1HG PRO 41 -11.668 11.049 -7.118
283 HG3 PRO 41 2HG PRO 41 -13.175 10.367 -7.756
284 HD2 PRO 41 1HD PRO 41 -12.981 11.386 -5.255
285 HD3 PRO 41 2HD PRO 41 -14.062 10.036 -5.654
286 H SER 42 H SER 42 -9.294 7.741 -6.870
287 HA SER 42 HA SER 42 -7.424 9.701 -5.768
288 HB2 SER 42 1HB SER 42 -7.522 7.400 -4.473
289 HB3 SER 42 2HB SER 42 -6.542 6.842 -5.829
290 HG SER 42 HG SER 42 -5.507 7.837 -3.826
291 H SER 43 H SER 43 -5.599 10.077 -7.042
292 HA SER 43 HA SER 43 -5.807 10.156 -9.722
293 HB2 SER 43 1HB SER 43 -3.942 11.146 -8.379
294 HB3 SER 43 2HB SER 43 -3.196 9.549 -8.315
295 HG SER 43 HG SER 43 -3.632 11.202 -10.566
296 H GLY 44 H GLY 44 -5.245 8.902 -11.506
297 HA2 GLY 44 1HA GLY 44 -5.654 6.098 -11.203
298 HA3 GLY 44 2HA GLY 44 -5.254 6.932 -12.697
Start of MODEL 12
1 H1 GLY 1 H GLY 1 13.362 -11.095 0.807
2 HA2 GLY 1 1HA GLY 1 13.293 -13.689 2.021
3 HA3 GLY 1 2HA GLY 1 12.252 -13.116 0.727
4 H SER 2 H SER 2 12.968 -13.302 -1.448
5 HA SER 2 HA SER 2 14.738 -15.583 -1.830
6 HB2 SER 2 1HB SER 2 13.766 -15.830 -3.965
7 HB3 SER 2 2HB SER 2 12.431 -15.304 -2.940
8 HG SER 2 HG SER 2 13.118 -13.098 -3.707
9 H SER 3 H SER 3 16.087 -15.452 -3.946
10 HA SER 3 HA SER 3 17.904 -13.226 -3.604
11 HB2 SER 3 1HB SER 3 19.297 -14.464 -5.278
12 HB3 SER 3 2HB SER 3 18.885 -15.419 -3.854
13 HG SER 3 HG SER 3 18.537 -16.644 -5.709
14 H GLY 4 H GLY 4 16.874 -11.423 -4.426
15 HA2 GLY 4 1HA GLY 4 16.899 -11.213 -7.320
16 HA3 GLY 4 2HA GLY 4 15.317 -11.024 -6.577
17 H SER 5 H SER 5 14.916 -8.905 -6.893
18 HA SER 5 HA SER 5 16.978 -6.956 -6.162
19 HB2 SER 5 1HB SER 5 15.552 -5.309 -7.313
20 HB3 SER 5 2HB SER 5 15.932 -6.673 -8.365
21 HG SER 5 HG SER 5 13.505 -5.970 -7.156
22 H SER 6 H SER 6 16.504 -7.705 -3.873
23 HA SER 6 HA SER 6 14.343 -6.042 -2.759
24 HB2 SER 6 1HB SER 6 13.979 -7.705 -1.015
25 HB3 SER 6 2HB SER 6 13.792 -8.457 -2.600
26 HG SER 6 HG SER 6 15.202 -9.459 -0.811
27 H GLY 7 H GLY 7 14.835 -4.799 -1.006
28 HA2 GLY 7 1HA GLY 7 17.582 -5.029 0.057
29 HA3 GLY 7 2HA GLY 7 16.894 -3.473 -0.385
30 H GLU 8 H GLU 8 15.776 -2.362 1.105
31 HA GLU 8 HA GLU 8 14.946 -3.785 3.545
32 HB2 GLU 8 1HB GLU 8 17.090 -2.293 3.658
33 HB3 GLU 8 2HB GLU 8 15.942 -0.962 3.664
34 HG2 GLU 8 1HG GLU 8 16.187 -1.273 5.899
35 HG3 GLU 8 2HG GLU 8 14.836 -2.362 5.595
36 H LYS 9 H LYS 9 12.883 -3.794 2.332
37 HA LYS 9 HA LYS 9 10.760 -3.048 1.998
38 HB2 LYS 9 1HB LYS 9 11.594 -1.075 4.130
39 HB3 LYS 9 2HB LYS 9 9.944 -1.265 3.552
40 HG2 LYS 9 1HG LYS 9 9.713 -3.364 4.514
41 HG3 LYS 9 2HG LYS 9 11.457 -3.604 4.641
42 HD2 LYS 9 1HD LYS 9 11.431 -1.637 6.272
43 HD3 LYS 9 2HD LYS 9 9.679 -1.849 6.313
44 HE2 LYS 9 1HE LYS 9 9.917 -4.097 7.127
45 HE3 LYS 9 2HE LYS 9 11.666 -4.034 6.919
46 HZ1 LYS 9 3HZ LYS 9 9.995 -2.793 8.983
47 HZ2 LYS 9 1HZ LYS 9 11.426 -2.012 8.532
48 HZ3 LYS 9 2HZ LYS 9 11.478 -3.592 9.135
49 HA PRO 10 HA PRO 10 12.529 0.479 -0.601
50 HB2 PRO 10 1HB PRO 10 12.489 -0.828 -2.980
51 HB3 PRO 10 2HB PRO 10 13.882 -0.856 -1.892
52 HG2 PRO 10 1HG PRO 10 11.728 -2.902 -2.265
53 HG3 PRO 10 2HG PRO 10 13.477 -3.138 -2.092
54 HD2 PRO 10 1HD PRO 10 11.747 -3.505 -0.042
55 HD3 PRO 10 2HD PRO 10 13.406 -2.921 0.202
56 H TYR 11 H TYR 11 9.885 -1.785 -0.872
57 HA TYR 11 HA TYR 11 8.341 0.187 -2.416
58 HB2 TYR 11 1HB TYR 11 7.617 -2.710 -1.988
59 HB3 TYR 11 2HB TYR 11 6.947 -1.594 -3.172
60 HD1 TYR 11 HD1 TYR 11 8.361 -0.862 -5.102
61 HD2 TYR 11 HD2 TYR 11 9.584 -3.953 -2.447
62 HE1 TYR 11 HE1 TYR 11 10.009 -1.625 -6.760
63 HE2 TYR 11 HE2 TYR 11 11.237 -4.724 -4.097
64 HH TYR 11 HH TYR 11 12.522 -3.640 -6.061
65 H GLY 12 H GLY 12 6.182 0.660 -1.790
66 HA2 GLY 12 1HA GLY 12 5.126 -0.330 0.695
67 HA3 GLY 12 2HA GLY 12 5.741 1.311 0.822
68 H CYS 13 H CYS 13 3.007 0.352 1.128
69 HA CYS 13 HA CYS 13 1.641 1.427 -1.217
70 HB2 CYS 13 1HB CYS 13 0.837 -0.680 -0.169
71 HB3 CYS 13 2HB CYS 13 0.473 0.220 1.300
72 H ASN 14 H ASN 14 1.308 3.541 -1.313
73 HA ASN 14 HA ASN 14 1.406 5.209 1.022
74 HB2 ASN 14 1HB ASN 14 0.740 5.852 -1.860
75 HB3 ASN 14 2HB ASN 14 0.948 7.052 -0.587
76 HD21 ASN 14 1HD2 ASN 14 2.592 7.853 -2.090
77 HD22 ASN 14 2HD2 ASN 14 4.182 7.182 -2.007
78 H GLU 15 H GLU 15 -1.091 3.883 -1.047
79 HA GLU 15 HA GLU 15 -3.277 5.413 -0.524
80 HB2 GLU 15 1HB GLU 15 -2.992 2.430 -0.765
81 HB3 GLU 15 2HB GLU 15 -4.565 3.169 -0.503
82 HG2 GLU 15 1HG GLU 15 -2.809 4.084 -2.741
83 HG3 GLU 15 2HG GLU 15 -3.806 2.641 -2.907
84 H CYS 16 H CYS 16 -2.298 2.632 1.488
85 HA CYS 16 HA CYS 16 -3.863 3.774 3.697
86 HB2 CYS 16 1HB CYS 16 -3.914 1.569 4.659
87 HB3 CYS 16 2HB CYS 16 -4.372 1.435 2.964
88 H GLY 17 H GLY 17 -0.701 2.345 2.945
89 HA2 GLY 17 1HA GLY 17 1.220 3.638 3.867
90 HA3 GLY 17 2HA GLY 17 0.344 3.637 5.390
91 H LYS 18 H LYS 18 0.607 0.909 3.180
92 HA LYS 18 HA LYS 18 1.754 -0.677 5.336
93 HB2 LYS 18 1HB LYS 18 -0.198 -1.422 3.851
94 HB3 LYS 18 2HB LYS 18 1.005 -1.669 2.592
95 HG2 LYS 18 1HG LYS 18 2.054 -3.394 3.773
96 HG3 LYS 18 2HG LYS 18 1.266 -2.952 5.289
97 HD2 LYS 18 1HD LYS 18 -0.920 -3.474 3.917
98 HD3 LYS 18 2HD LYS 18 0.188 -4.445 2.946
99 HE2 LYS 18 1HE LYS 18 -0.672 -5.908 4.580
100 HE3 LYS 18 2HE LYS 18 0.953 -5.492 5.124
101 HZ1 LYS 18 3HZ LYS 18 0.150 -4.205 6.828
102 HZ2 LYS 18 1HZ LYS 18 -1.022 -5.423 6.778
103 HZ3 LYS 18 2HZ LYS 18 -1.338 -3.916 6.078
104 H ASP 19 H ASP 19 3.527 -2.206 4.825
105 HA ASP 19 HA ASP 19 5.381 -1.178 2.792
106 HB2 ASP 19 1HB ASP 19 7.155 -1.860 4.679
107 HB3 ASP 19 2HB ASP 19 6.479 -0.238 4.559
108 H PHE 20 H PHE 20 6.351 -2.711 1.608
109 HA PHE 20 HA PHE 20 6.208 -5.492 2.565
110 HB2 PHE 20 1HB PHE 20 5.975 -4.696 -0.335
111 HB3 PHE 20 2HB PHE 20 5.642 -6.267 0.388
112 HD1 PHE 20 HD2 PHE 20 4.492 -2.727 0.499
113 HD2 PHE 20 HD1 PHE 20 3.468 -6.840 0.893
114 HE1 PHE 20 HE2 PHE 20 2.122 -2.111 0.733
115 HE2 PHE 20 HE1 PHE 20 1.095 -6.230 1.125
116 HZ PHE 20 HZ PHE 20 0.420 -3.863 1.047
117 H SER 21 H SER 21 7.819 -6.938 1.608
118 HA SER 21 HA SER 21 10.399 -5.634 1.498
119 HB2 SER 21 1HB SER 21 9.995 -7.747 2.789
120 HB3 SER 21 2HB SER 21 9.776 -8.585 1.253
121 HG SER 21 HG SER 21 12.055 -7.959 2.513
122 H SER 22 H SER 22 8.487 -7.760 -0.617
123 HA SER 22 HA SER 22 10.306 -7.163 -2.833
124 HB2 SER 22 1HB SER 22 7.989 -9.104 -2.835
125 HB3 SER 22 2HB SER 22 9.331 -9.028 -3.977
126 HG SER 22 HG SER 22 10.711 -9.542 -2.162
127 H LYS 23 H LYS 23 8.898 -7.227 -5.034
128 HA LYS 23 HA LYS 23 7.233 -4.848 -4.857
129 HB2 LYS 23 1HB LYS 23 9.015 -4.996 -6.567
130 HB3 LYS 23 2HB LYS 23 8.191 -6.372 -7.288
131 HG2 LYS 23 1HG LYS 23 7.548 -4.599 -8.629
132 HG3 LYS 23 2HG LYS 23 6.185 -4.780 -7.522
133 HD2 LYS 23 1HD LYS 23 7.467 -3.028 -6.085
134 HD3 LYS 23 2HD LYS 23 8.302 -2.666 -7.598
135 HE2 LYS 23 1HE LYS 23 6.471 -1.167 -7.455
136 HE3 LYS 23 2HE LYS 23 6.034 -2.384 -8.653
137 HZ1 LYS 23 3HZ LYS 23 5.213 -3.136 -6.027
138 HZ2 LYS 23 1HZ LYS 23 4.297 -3.007 -7.444
139 HZ3 LYS 23 2HZ LYS 23 4.553 -1.644 -6.476
140 H SER 24 H SER 24 7.001 -8.141 -6.188
141 HA SER 24 HA SER 24 4.466 -8.137 -7.193
142 HB2 SER 24 1HB SER 24 6.062 -10.250 -5.787
143 HB3 SER 24 2HB SER 24 4.395 -10.587 -6.255
144 HG SER 24 HG SER 24 5.448 -9.513 -8.360
145 H TYR 25 H TYR 25 5.218 -9.167 -3.859
146 HA TYR 25 HA TYR 25 2.778 -9.514 -2.798
147 HB2 TYR 25 1HB TYR 25 5.144 -8.096 -1.576
148 HB3 TYR 25 2HB TYR 25 3.697 -8.485 -0.653
149 HD1 TYR 25 HD1 TYR 25 2.984 -11.143 -1.540
150 HD2 TYR 25 HD2 TYR 25 6.843 -9.488 -0.849
151 HE1 TYR 25 HE1 TYR 25 3.865 -13.397 -1.101
152 HE2 TYR 25 HE2 TYR 25 7.735 -11.738 -0.409
153 HH TYR 25 HH TYR 25 6.639 -14.019 0.432
154 H LEU 26 H LEU 26 4.351 -6.321 -2.997
155 HA LEU 26 HA LEU 26 2.262 -4.799 -1.980
156 HB2 LEU 26 1HB LEU 26 4.384 -3.792 -2.262
157 HB3 LEU 26 2HB LEU 26 4.406 -4.158 -3.986
158 HG LEU 26 HG LEU 26 2.579 -2.516 -4.313
159 HD11 LEU 26 1HD1 LEU 26 3.075 -1.347 -1.640
160 HD12 LEU 26 2HD1 LEU 26 2.031 -2.766 -1.719
161 HD13 LEU 26 3HD1 LEU 26 1.624 -1.320 -2.642
162 HD21 LEU 26 3HD2 LEU 26 5.235 -2.075 -4.122
163 HD22 LEU 26 1HD2 LEU 26 4.632 -0.928 -2.925
164 HD23 LEU 26 2HD2 LEU 26 4.062 -0.844 -4.592
165 H ILE 27 H ILE 27 3.018 -5.426 -5.409
166 HA ILE 27 HA ILE 27 0.920 -4.127 -6.602
167 HB ILE 27 HB ILE 27 2.115 -6.777 -7.419
168 HG12 ILE 27 1HG1 ILE 27 2.711 -4.009 -8.473
169 HG13 ILE 27 2HG1 ILE 27 3.653 -4.779 -7.201
170 HG21 ILE 27 1HG2 ILE 27 1.306 -6.060 -9.711
171 HG22 ILE 27 2HG2 ILE 27 0.069 -6.602 -8.578
172 HG23 ILE 27 3HG2 ILE 27 0.296 -4.879 -8.877
173 HD11 ILE 27 3HD1 ILE 27 3.594 -5.296 -10.098
174 HD12 ILE 27 1HD1 ILE 27 4.926 -5.401 -8.947
175 HD13 ILE 27 2HD1 ILE 27 3.746 -6.708 -9.053
176 H VAL 28 H VAL 28 0.911 -7.317 -5.093
177 HA VAL 28 HA VAL 28 -1.719 -8.028 -5.890
178 HB VAL 28 HB VAL 28 -0.089 -9.025 -3.548
179 HG11 VAL 28 1HG1 VAL 28 -1.646 -10.646 -3.155
180 HG12 VAL 28 2HG1 VAL 28 -2.711 -9.353 -3.709
181 HG13 VAL 28 3HG1 VAL 28 -2.236 -10.641 -4.816
182 HG21 VAL 28 3HG2 VAL 28 -0.294 -10.949 -5.594
183 HG22 VAL 28 1HG2 VAL 28 0.152 -9.430 -6.370
184 HG23 VAL 28 2HG2 VAL 28 1.145 -10.079 -5.066
185 H HIS 29 H HIS 29 -0.386 -6.437 -3.034
186 HA HIS 29 HA HIS 29 -2.819 -6.383 -1.566
187 HB2 HIS 29 1HB HIS 29 -0.776 -6.139 -0.351
188 HB3 HIS 29 2HB HIS 29 -0.271 -4.777 -1.347
189 HD1 HIS 29 HD1 HIS 29 -2.659 -5.676 1.417
190 HD2 HIS 29 HD2 HIS 29 -1.226 -2.307 -0.547
191 HE1 HIS 29 HE1 HIS 29 -3.469 -3.715 2.768
192 H GLN 30 H GLN 30 -1.093 -3.839 -3.375
193 HA GLN 30 HA GLN 30 -2.736 -1.717 -3.107
194 HB2 GLN 30 1HB GLN 30 -1.288 -2.733 -5.537
195 HB3 GLN 30 2HB GLN 30 -2.219 -1.242 -5.595
196 HG2 GLN 30 1HG GLN 30 -0.837 -0.483 -3.604
197 HG3 GLN 30 2HG GLN 30 0.214 -1.854 -3.954
198 HE21 GLN 30 1HE2 GLN 30 1.903 -0.350 -4.334
199 HE22 GLN 30 2HE2 GLN 30 2.002 0.506 -5.831
200 H ARG 31 H ARG 31 -3.509 -4.687 -4.688
201 HA ARG 31 HA ARG 31 -5.601 -3.869 -6.355
202 HB2 ARG 31 1HB ARG 31 -5.303 -6.478 -4.854
203 HB3 ARG 31 2HB ARG 31 -6.384 -6.199 -6.213
204 HG2 ARG 31 1HG ARG 31 -4.534 -5.874 -7.699
205 HG3 ARG 31 2HG ARG 31 -3.391 -5.933 -6.356
206 HD2 ARG 31 1HD ARG 31 -3.377 -8.049 -7.508
207 HD3 ARG 31 2HD ARG 31 -4.093 -8.260 -5.911
208 HE ARG 31 HE ARG 31 -6.172 -7.780 -7.690
209 HH11 ARG 31 1HH1 ARG 31 -3.721 -10.191 -7.142
210 HH12 ARG 31 2HH1 ARG 31 -4.666 -11.488 -7.793
211 HH21 ARG 31 1HH2 ARG 31 -7.427 -9.480 -8.550
212 HH22 ARG 31 2HH2 ARG 31 -6.774 -11.082 -8.595
213 H ILE 32 H ILE 32 -5.616 -4.838 -2.945
214 HA ILE 32 HA ILE 32 -8.353 -4.819 -2.486
215 HB ILE 32 HB ILE 32 -7.886 -4.578 -0.165
216 HG12 ILE 32 1HG1 ILE 32 -5.016 -3.897 -0.551
217 HG13 ILE 32 2HG1 ILE 32 -6.189 -2.608 -0.797
218 HG21 ILE 32 1HG2 ILE 32 -7.146 -6.675 -1.226
219 HG22 ILE 32 2HG2 ILE 32 -5.536 -5.985 -1.424
220 HG23 ILE 32 3HG2 ILE 32 -6.183 -6.262 0.193
221 HD11 ILE 32 3HD1 ILE 32 -6.173 -4.284 1.686
222 HD12 ILE 32 1HD1 ILE 32 -5.169 -2.845 1.515
223 HD13 ILE 32 2HD1 ILE 32 -6.926 -2.712 1.420
224 H HIS 33 H HIS 33 -6.367 -2.238 -3.363
225 HA HIS 33 HA HIS 33 -8.298 -0.272 -2.325
226 HB2 HIS 33 1HB HIS 33 -5.439 0.151 -3.222
227 HB3 HIS 33 2HB HIS 33 -6.519 1.409 -2.627
228 HD1 HIS 33 HD1 HIS 33 -7.460 0.817 -0.062
229 HD2 HIS 33 HD2 HIS 33 -3.858 -0.856 -1.283
230 HE1 HIS 33 HE1 HIS 33 -6.276 0.151 2.055
231 H THR 34 H THR 34 -8.386 -1.983 -4.811
232 HA THR 34 HA THR 34 -8.643 0.210 -6.766
233 HB THR 34 HB THR 34 -8.202 -1.367 -8.555
234 HG1 THR 34 HG1 THR 34 -9.071 -3.214 -7.280
235 HG21 THR 34 3HG2 THR 34 -6.146 -0.546 -8.057
236 HG22 THR 34 1HG2 THR 34 -5.849 -2.214 -7.570
237 HG23 THR 34 2HG2 THR 34 -6.256 -1.000 -6.357
238 H GLY 35 H GLY 35 -10.476 0.276 -8.058
239 HA2 GLY 35 1HA GLY 35 -12.707 -1.378 -7.077
240 HA3 GLY 35 2HA GLY 35 -12.869 0.198 -7.836
241 H GLU 36 H GLU 36 -11.363 -2.926 -8.681
242 HA GLU 36 HA GLU 36 -12.694 -2.723 -11.303
243 HB2 GLU 36 1HB GLU 36 -9.949 -3.607 -10.530
244 HB3 GLU 36 2HB GLU 36 -10.719 -4.378 -11.910
245 HG2 GLU 36 1HG GLU 36 -11.064 -2.134 -12.905
246 HG3 GLU 36 2HG GLU 36 -10.148 -1.444 -11.566
247 H LYS 37 H LYS 37 -11.792 -4.820 -8.638
248 HA LYS 37 HA LYS 37 -12.356 -7.322 -9.390
249 HB2 LYS 37 1HB LYS 37 -13.485 -5.994 -6.918
250 HB3 LYS 37 2HB LYS 37 -13.348 -7.731 -7.160
251 HG2 LYS 37 1HG LYS 37 -11.005 -7.671 -7.064
252 HG3 LYS 37 2HG LYS 37 -10.960 -5.918 -7.268
253 HD2 LYS 37 1HD LYS 37 -10.531 -6.267 -4.987
254 HD3 LYS 37 2HD LYS 37 -12.232 -5.801 -5.057
255 HE2 LYS 37 1HE LYS 37 -12.937 -8.065 -4.798
256 HE3 LYS 37 2HE LYS 37 -11.291 -8.662 -5.005
257 HZ1 LYS 37 3HZ LYS 37 -10.933 -7.077 -2.926
258 HZ2 LYS 37 1HZ LYS 37 -11.392 -8.698 -2.762
259 HZ3 LYS 37 2HZ LYS 37 -12.557 -7.475 -2.664
260 H LEU 38 H LEU 38 -14.919 -5.036 -8.421
261 HA LEU 38 HA LEU 38 -16.977 -6.792 -9.425
262 HB2 LEU 38 1HB LEU 38 -17.056 -5.131 -7.418
263 HB3 LEU 38 2HB LEU 38 -17.442 -3.941 -8.659
264 HG LEU 38 HG LEU 38 -19.391 -5.376 -9.307
265 HD11 LEU 38 1HD1 LEU 38 -20.148 -7.091 -7.805
266 HD12 LEU 38 2HD1 LEU 38 -18.793 -6.795 -6.717
267 HD13 LEU 38 3HD1 LEU 38 -18.504 -7.469 -8.320
268 HD21 LEU 38 3HD2 LEU 38 -19.063 -3.624 -7.095
269 HD22 LEU 38 1HD2 LEU 38 -20.197 -4.893 -6.631
270 HD23 LEU 38 2HD2 LEU 38 -20.506 -3.916 -8.066
271 H SER 39 H SER 39 -17.910 -6.737 -11.372
272 HA SER 39 HA SER 39 -16.865 -4.943 -13.373
273 HB2 SER 39 1HB SER 39 -18.405 -6.235 -14.901
274 HB3 SER 39 2HB SER 39 -17.215 -7.219 -14.048
275 HG SER 39 HG SER 39 -19.328 -8.125 -13.982
276 H GLY 40 H GLY 40 -19.976 -5.501 -11.775
277 HA2 GLY 40 1HA GLY 40 -21.533 -3.719 -13.263
278 HA3 GLY 40 2HA GLY 40 -21.847 -4.185 -11.598
279 HA PRO 41 HA PRO 41 -21.085 0.332 -11.490
280 HB2 PRO 41 1HB PRO 41 -22.862 0.794 -9.490
281 HB3 PRO 41 2HB PRO 41 -23.334 0.695 -11.191
282 HG2 PRO 41 1HG PRO 41 -23.518 -1.388 -9.049
283 HG3 PRO 41 2HG PRO 41 -24.706 -0.954 -10.292
284 HD2 PRO 41 1HD PRO 41 -23.084 -3.111 -10.517
285 HD3 PRO 41 2HD PRO 41 -23.632 -2.177 -11.924
286 H SER 42 H SER 42 -18.962 -0.208 -10.661
287 HA SER 42 HA SER 42 -18.715 -0.747 -7.820
288 HB2 SER 42 1HB SER 42 -16.398 -1.064 -8.220
289 HB3 SER 42 2HB SER 42 -17.209 -1.745 -9.630
290 HG SER 42 HG SER 42 -15.456 -0.408 -10.225
291 H SER 43 H SER 43 -17.180 0.591 -6.519
292 HA SER 43 HA SER 43 -17.409 3.445 -7.214
293 HB2 SER 43 1HB SER 43 -17.840 3.978 -4.895
294 HB3 SER 43 2HB SER 43 -19.000 2.754 -5.410
295 HG SER 43 HG SER 43 -17.595 2.574 -3.317
296 H GLY 44 H GLY 44 -15.758 4.831 -6.361
297 HA2 GLY 44 1HA GLY 44 -13.598 4.252 -4.821
298 HA3 GLY 44 2HA GLY 44 -13.168 3.563 -6.379
Start of MODEL 13
1 H1 GLY 1 H GLY 1 16.921 -15.346 -2.606
2 HA2 GLY 1 1HA GLY 1 16.660 -15.687 -4.868
3 HA3 GLY 1 2HA GLY 1 15.551 -14.324 -4.884
4 H SER 2 H SER 2 16.392 -12.202 -5.167
5 HA SER 2 HA SER 2 18.571 -12.107 -7.004
6 HB2 SER 2 1HB SER 2 16.685 -10.117 -5.821
7 HB3 SER 2 2HB SER 2 18.164 -9.519 -6.572
8 HG SER 2 HG SER 2 17.552 -10.461 -8.492
9 H SER 3 H SER 3 20.579 -11.102 -6.779
10 HA SER 3 HA SER 3 21.423 -10.525 -4.018
11 HB2 SER 3 1HB SER 3 22.319 -12.691 -4.493
12 HB3 SER 3 2HB SER 3 22.861 -12.186 -6.094
13 HG SER 3 HG SER 3 24.368 -12.241 -4.090
14 H GLY 4 H GLY 4 21.409 -8.316 -4.252
15 HA2 GLY 4 1HA GLY 4 23.556 -7.238 -5.931
16 HA3 GLY 4 2HA GLY 4 21.938 -6.587 -6.151
17 H SER 5 H SER 5 20.925 -6.200 -3.756
18 HA SER 5 HA SER 5 22.900 -4.881 -2.061
19 HB2 SER 5 1HB SER 5 20.607 -3.465 -3.425
20 HB3 SER 5 2HB SER 5 21.405 -2.819 -1.991
21 HG SER 5 HG SER 5 22.915 -3.587 -4.239
22 H SER 6 H SER 6 21.826 -4.000 -0.040
23 HA SER 6 HA SER 6 20.256 -6.087 1.119
24 HB2 SER 6 1HB SER 6 20.404 -4.796 3.177
25 HB3 SER 6 2HB SER 6 21.979 -4.819 2.385
26 HG SER 6 HG SER 6 21.848 -2.730 2.568
27 H GLY 7 H GLY 7 18.125 -6.288 1.031
28 HA2 GLY 7 1HA GLY 7 16.509 -3.965 0.269
29 HA3 GLY 7 2HA GLY 7 16.000 -5.645 0.197
30 H GLU 8 H GLU 8 15.672 -2.787 1.854
31 HA GLU 8 HA GLU 8 14.630 -4.195 4.224
32 HB2 GLU 8 1HB GLU 8 16.686 -2.809 4.653
33 HB3 GLU 8 2HB GLU 8 15.751 -1.391 4.201
34 HG2 GLU 8 1HG GLU 8 14.277 -1.678 6.049
35 HG3 GLU 8 2HG GLU 8 14.975 -3.251 6.431
36 H LYS 9 H LYS 9 12.635 -4.294 2.956
37 HA LYS 9 HA LYS 9 10.570 -3.563 2.319
38 HB2 LYS 9 1HB LYS 9 11.099 -1.809 4.719
39 HB3 LYS 9 2HB LYS 9 9.537 -1.904 3.918
40 HG2 LYS 9 1HG LYS 9 9.650 -4.410 4.348
41 HG3 LYS 9 2HG LYS 9 10.985 -4.042 5.443
42 HD2 LYS 9 1HD LYS 9 9.575 -2.656 6.797
43 HD3 LYS 9 2HD LYS 9 8.255 -2.776 5.632
44 HE2 LYS 9 1HE LYS 9 8.256 -5.256 6.050
45 HE3 LYS 9 2HE LYS 9 9.382 -4.960 7.374
46 HZ1 LYS 9 3HZ LYS 9 6.669 -4.916 7.551
47 HZ2 LYS 9 1HZ LYS 9 7.070 -3.274 7.489
48 HZ3 LYS 9 2HZ LYS 9 7.742 -4.263 8.684
49 HA PRO 10 HA PRO 10 12.455 0.254 0.262
50 HB2 PRO 10 1HB PRO 10 12.777 -0.834 -2.205
51 HB3 PRO 10 2HB PRO 10 14.027 -0.897 -0.956
52 HG2 PRO 10 1HG PRO 10 12.052 -2.996 -1.768
53 HG3 PRO 10 2HG PRO 10 13.777 -3.167 -1.396
54 HD2 PRO 10 1HD PRO 10 11.834 -3.796 0.382
55 HD3 PRO 10 2HD PRO 10 13.416 -3.161 0.881
56 H TYR 11 H TYR 11 9.989 -2.089 -0.516
57 HA TYR 11 HA TYR 11 8.587 -0.156 -2.214
58 HB2 TYR 11 1HB TYR 11 7.926 -3.057 -1.666
59 HB3 TYR 11 2HB TYR 11 7.147 -2.019 -2.855
60 HD1 TYR 11 HD2 TYR 11 10.228 -3.851 -2.026
61 HD2 TYR 11 HD1 TYR 11 8.187 -1.554 -4.969
62 HE1 TYR 11 HE2 TYR 11 11.885 -4.543 -3.707
63 HE2 TYR 11 HE1 TYR 11 9.838 -2.240 -6.658
64 HH TYR 11 HH TYR 11 11.796 -3.269 -7.008
65 H GLY 12 H GLY 12 6.489 0.538 -1.778
66 HA2 GLY 12 1HA GLY 12 5.213 -0.283 0.706
67 HA3 GLY 12 2HA GLY 12 5.750 1.389 0.637
68 H CYS 13 H CYS 13 3.047 0.412 0.924
69 HA CYS 13 HA CYS 13 1.732 0.812 -1.612
70 HB2 CYS 13 1HB CYS 13 0.742 -0.743 -0.048
71 HB3 CYS 13 2HB CYS 13 0.658 0.499 1.197
72 H ASN 14 H ASN 14 0.969 2.664 -2.415
73 HA ASN 14 HA ASN 14 1.234 5.080 -0.781
74 HB2 ASN 14 1HB ASN 14 1.041 4.635 -3.759
75 HB3 ASN 14 2HB ASN 14 0.921 6.235 -3.034
76 HD21 ASN 14 1HD2 ASN 14 2.772 7.031 -3.935
77 HD22 ASN 14 2HD2 ASN 14 4.351 6.479 -3.501
78 H GLU 15 H GLU 15 -0.984 3.240 -0.423
79 HA GLU 15 HA GLU 15 -3.197 5.035 -1.175
80 HB2 GLU 15 1HB GLU 15 -3.372 2.036 -0.851
81 HB3 GLU 15 2HB GLU 15 -4.667 3.114 -1.350
82 HG2 GLU 15 1HG GLU 15 -2.150 2.992 -2.944
83 HG3 GLU 15 2HG GLU 15 -3.363 1.725 -3.115
84 H CYS 16 H CYS 16 -1.850 2.849 1.229
85 HA CYS 16 HA CYS 16 -3.560 4.135 3.252
86 HB2 CYS 16 1HB CYS 16 -3.861 2.073 4.407
87 HB3 CYS 16 2HB CYS 16 -4.232 1.755 2.715
88 H GLY 17 H GLY 17 -0.516 2.462 2.575
89 HA2 GLY 17 1HA GLY 17 1.458 3.772 3.441
90 HA3 GLY 17 2HA GLY 17 0.623 3.733 4.987
91 H LYS 18 H LYS 18 0.275 0.911 3.107
92 HA LYS 18 HA LYS 18 1.533 -0.719 5.042
93 HB2 LYS 18 1HB LYS 18 -0.284 -1.213 3.149
94 HB3 LYS 18 2HB LYS 18 1.146 -1.746 2.275
95 HG2 LYS 18 1HG LYS 18 0.563 -3.707 3.254
96 HG3 LYS 18 2HG LYS 18 1.591 -3.054 4.531
97 HD2 LYS 18 1HD LYS 18 -1.307 -2.378 4.563
98 HD3 LYS 18 2HD LYS 18 -0.820 -4.004 5.048
99 HE2 LYS 18 1HE LYS 18 -0.727 -2.929 7.067
100 HE3 LYS 18 2HE LYS 18 0.927 -2.688 6.507
101 HZ1 LYS 18 3HZ LYS 18 -0.607 -0.591 5.509
102 HZ2 LYS 18 1HZ LYS 18 0.607 -0.520 6.685
103 HZ3 LYS 18 2HZ LYS 18 -1.004 -0.749 7.145
104 H ASP 19 H ASP 19 3.307 -2.263 4.569
105 HA ASP 19 HA ASP 19 5.326 -1.158 2.741
106 HB2 ASP 19 1HB ASP 19 6.201 -2.267 5.377
107 HB3 ASP 19 2HB ASP 19 6.993 -1.082 4.342
108 H PHE 20 H PHE 20 6.568 -2.636 1.679
109 HA PHE 20 HA PHE 20 6.361 -5.454 2.441
110 HB2 PHE 20 1HB PHE 20 5.953 -4.598 -0.421
111 HB3 PHE 20 2HB PHE 20 5.686 -6.188 0.287
112 HD1 PHE 20 HD2 PHE 20 4.406 -2.730 0.138
113 HD2 PHE 20 HD1 PHE 20 3.624 -6.756 1.278
114 HE1 PHE 20 HE2 PHE 20 2.039 -2.164 0.502
115 HE2 PHE 20 HE1 PHE 20 1.256 -6.196 1.644
116 HZ PHE 20 HZ PHE 20 0.461 -3.897 1.257
117 H SER 21 H SER 21 8.020 -6.794 1.553
118 HA SER 21 HA SER 21 10.505 -5.361 1.189
119 HB2 SER 21 1HB SER 21 9.772 -8.249 1.584
120 HB3 SER 21 2HB SER 21 11.397 -7.800 1.065
121 HG SER 21 HG SER 21 11.739 -7.502 3.113
122 H SER 22 H SER 22 8.386 -7.448 -0.701
123 HA SER 22 HA SER 22 10.090 -6.983 -3.056
124 HB2 SER 22 1HB SER 22 8.249 -9.225 -2.289
125 HB3 SER 22 2HB SER 22 8.597 -8.919 -3.990
126 HG SER 22 HG SER 22 10.526 -9.712 -3.724
127 H LYS 23 H LYS 23 8.894 -6.799 -5.144
128 HA LYS 23 HA LYS 23 6.942 -4.720 -4.942
129 HB2 LYS 23 1HB LYS 23 8.660 -4.832 -6.739
130 HB3 LYS 23 2HB LYS 23 7.842 -6.245 -7.393
131 HG2 LYS 23 1HG LYS 23 7.108 -4.458 -8.706
132 HG3 LYS 23 2HG LYS 23 5.780 -4.770 -7.586
133 HD2 LYS 23 1HD LYS 23 6.259 -2.874 -6.306
134 HD3 LYS 23 2HD LYS 23 7.892 -2.732 -6.961
135 HE2 LYS 23 1HE LYS 23 6.445 -1.006 -7.878
136 HE3 LYS 23 2HE LYS 23 6.957 -2.124 -9.142
137 HZ1 LYS 23 3HZ LYS 23 4.868 -2.789 -9.501
138 HZ2 LYS 23 1HZ LYS 23 4.413 -1.377 -8.688
139 HZ3 LYS 23 2HZ LYS 23 4.480 -2.848 -7.855
140 H SER 24 H SER 24 6.878 -8.108 -5.982
141 HA SER 24 HA SER 24 4.317 -8.322 -6.940
142 HB2 SER 24 1HB SER 24 4.392 -10.699 -6.020
143 HB3 SER 24 2HB SER 24 5.727 -10.232 -7.074
144 HG SER 24 HG SER 24 6.594 -9.579 -4.769
145 H TYR 25 H TYR 25 5.270 -8.953 -3.559
146 HA TYR 25 HA TYR 25 2.793 -9.343 -2.456
147 HB2 TYR 25 1HB TYR 25 5.200 -7.958 -1.266
148 HB3 TYR 25 2HB TYR 25 3.782 -8.420 -0.331
149 HD1 TYR 25 HD1 TYR 25 3.122 -11.059 -1.323
150 HD2 TYR 25 HD2 TYR 25 6.946 -9.332 -0.616
151 HE1 TYR 25 HE1 TYR 25 4.069 -13.305 -0.992
152 HE2 TYR 25 HE2 TYR 25 7.903 -11.573 -0.285
153 HH TYR 25 HH TYR 25 7.534 -13.779 -0.472
154 H LEU 26 H LEU 26 4.268 -6.333 -3.439
155 HA LEU 26 HA LEU 26 2.314 -4.666 -2.148
156 HB2 LEU 26 1HB LEU 26 4.516 -3.790 -2.502
157 HB3 LEU 26 2HB LEU 26 4.413 -4.105 -4.233
158 HG LEU 26 HG LEU 26 2.656 -2.379 -4.411
159 HD11 LEU 26 1HD1 LEU 26 1.863 -1.163 -2.653
160 HD12 LEU 26 2HD1 LEU 26 3.325 -1.382 -1.693
161 HD13 LEU 26 3HD1 LEU 26 2.161 -2.698 -1.838
162 HD21 LEU 26 3HD2 LEU 26 4.690 -0.773 -3.127
163 HD22 LEU 26 1HD2 LEU 26 4.261 -0.898 -4.833
164 HD23 LEU 26 2HD2 LEU 26 5.398 -2.045 -4.123
165 H ILE 27 H ILE 27 3.069 -5.312 -5.577
166 HA ILE 27 HA ILE 27 0.950 -4.032 -6.755
167 HB ILE 27 HB ILE 27 2.178 -6.657 -7.605
168 HG12 ILE 27 1HG1 ILE 27 2.761 -3.856 -8.582
169 HG13 ILE 27 2HG1 ILE 27 3.717 -4.680 -7.355
170 HG21 ILE 27 1HG2 ILE 27 -0.105 -6.000 -8.579
171 HG22 ILE 27 2HG2 ILE 27 0.777 -4.723 -9.415
172 HG23 ILE 27 3HG2 ILE 27 1.189 -6.413 -9.703
173 HD11 ILE 27 3HD1 ILE 27 4.268 -4.700 -9.993
174 HD12 ILE 27 1HD1 ILE 27 4.776 -5.953 -8.861
175 HD13 ILE 27 2HD1 ILE 27 3.328 -6.183 -9.842
176 H VAL 28 H VAL 28 0.974 -7.150 -5.145
177 HA VAL 28 HA VAL 28 -1.641 -7.930 -5.991
178 HB VAL 28 HB VAL 28 0.014 -8.917 -3.663
179 HG11 VAL 28 1HG1 VAL 28 -2.583 -9.277 -3.753
180 HG12 VAL 28 2HG1 VAL 28 -2.157 -10.511 -4.941
181 HG13 VAL 28 3HG1 VAL 28 -1.506 -10.599 -3.303
182 HG21 VAL 28 3HG2 VAL 28 0.943 -10.493 -5.048
183 HG22 VAL 28 1HG2 VAL 28 -0.408 -10.452 -6.181
184 HG23 VAL 28 2HG2 VAL 28 0.776 -9.145 -6.172
185 H HIS 29 H HIS 29 -0.316 -6.372 -3.107
186 HA HIS 29 HA HIS 29 -2.729 -6.353 -1.625
187 HB2 HIS 29 1HB HIS 29 -0.676 -6.051 -0.439
188 HB3 HIS 29 2HB HIS 29 -0.223 -4.678 -1.445
189 HD1 HIS 29 HD1 HIS 29 -2.513 -5.634 1.375
190 HD2 HIS 29 HD2 HIS 29 -1.267 -2.232 -0.658
191 HE1 HIS 29 HE1 HIS 29 -3.366 -3.693 2.728
192 H GLN 30 H GLN 30 -1.097 -3.762 -3.455
193 HA GLN 30 HA GLN 30 -2.785 -1.684 -3.172
194 HB2 GLN 30 1HB GLN 30 -1.377 -2.680 -5.634
195 HB3 GLN 30 2HB GLN 30 -2.334 -1.205 -5.669
196 HG2 GLN 30 1HG GLN 30 -0.910 -0.439 -3.699
197 HG3 GLN 30 2HG GLN 30 0.161 -1.776 -4.113
198 HE21 GLN 30 1HE2 GLN 30 0.826 0.986 -4.155
199 HE22 GLN 30 2HE2 GLN 30 1.222 1.402 -5.784
200 H ARG 31 H ARG 31 -3.521 -4.678 -4.729
201 HA ARG 31 HA ARG 31 -5.672 -3.916 -6.347
202 HB2 ARG 31 1HB ARG 31 -5.239 -6.510 -4.855
203 HB3 ARG 31 2HB ARG 31 -6.405 -6.272 -6.150
204 HG2 ARG 31 1HG ARG 31 -4.652 -5.887 -7.739
205 HG3 ARG 31 2HG ARG 31 -3.434 -5.914 -6.463
206 HD2 ARG 31 1HD ARG 31 -4.118 -8.269 -5.975
207 HD3 ARG 31 2HD ARG 31 -5.151 -8.206 -7.402
208 HE ARG 31 HE ARG 31 -2.547 -7.457 -8.130
209 HH11 ARG 31 1HH1 ARG 31 -4.333 -10.257 -7.086
210 HH12 ARG 31 2HH1 ARG 31 -3.303 -11.382 -7.908
211 HH21 ARG 31 1HH2 ARG 31 -1.184 -8.929 -9.218
212 HH22 ARG 31 2HH2 ARG 31 -1.512 -10.626 -9.120
213 H ILE 32 H ILE 32 -5.595 -4.910 -2.942
214 HA ILE 32 HA ILE 32 -8.324 -4.931 -2.430
215 HB ILE 32 HB ILE 32 -7.807 -4.680 -0.106
216 HG12 ILE 32 1HG1 ILE 32 -4.930 -4.096 -0.545
217 HG13 ILE 32 2HG1 ILE 32 -6.053 -2.767 -0.812
218 HG21 ILE 32 1HG2 ILE 32 -5.622 -6.202 -0.073
219 HG22 ILE 32 2HG2 ILE 32 -7.197 -6.817 -0.569
220 HG23 ILE 32 3HG2 ILE 32 -6.016 -6.335 -1.787
221 HD11 ILE 32 3HD1 ILE 32 -5.809 -4.381 1.715
222 HD12 ILE 32 1HD1 ILE 32 -5.170 -2.758 1.453
223 HD13 ILE 32 2HD1 ILE 32 -6.913 -3.032 1.448
224 H HIS 33 H HIS 33 -6.385 -2.317 -3.309
225 HA HIS 33 HA HIS 33 -8.258 -0.372 -2.145
226 HB2 HIS 33 1HB HIS 33 -5.467 -0.009 -3.248
227 HB3 HIS 33 2HB HIS 33 -6.500 1.317 -2.723
228 HD1 HIS 33 HD1 HIS 33 -7.363 0.936 -0.081
229 HD2 HIS 33 HD2 HIS 33 -3.813 -0.850 -1.292
230 HE1 HIS 33 HE1 HIS 33 -6.105 0.437 2.038
231 H THR 34 H THR 34 -8.615 -2.080 -4.590
232 HA THR 34 HA THR 34 -9.398 0.101 -6.378
233 HB THR 34 HB THR 34 -8.690 -1.531 -8.306
234 HG1 THR 34 HG1 THR 34 -6.998 -2.300 -6.146
235 HG21 THR 34 3HG2 THR 34 -7.115 0.005 -8.745
236 HG22 THR 34 1HG2 THR 34 -6.244 -0.332 -7.250
237 HG23 THR 34 2HG2 THR 34 -7.624 0.766 -7.238
238 H GLY 35 H GLY 35 -10.923 -0.653 -8.091
239 HA2 GLY 35 1HA GLY 35 -12.503 -2.266 -8.882
240 HA3 GLY 35 2HA GLY 35 -12.393 -3.084 -7.330
241 H GLU 36 H GLU 36 -13.454 -0.025 -8.796
242 HA GLU 36 HA GLU 36 -14.949 0.978 -6.703
243 HB2 GLU 36 1HB GLU 36 -14.446 1.881 -9.143
244 HB3 GLU 36 2HB GLU 36 -16.043 1.223 -9.468
245 HG2 GLU 36 1HG GLU 36 -16.468 3.433 -8.935
246 HG3 GLU 36 2HG GLU 36 -16.801 2.579 -7.429
247 H LYS 37 H LYS 37 -16.315 -0.220 -5.531
248 HA LYS 37 HA LYS 37 -18.265 -1.915 -6.936
249 HB2 LYS 37 1HB LYS 37 -16.672 -2.830 -5.106
250 HB3 LYS 37 2HB LYS 37 -17.741 -2.007 -3.978
251 HG2 LYS 37 1HG LYS 37 -18.900 -3.865 -6.001
252 HG3 LYS 37 2HG LYS 37 -18.113 -4.518 -4.561
253 HD2 LYS 37 1HD LYS 37 -19.694 -3.639 -3.136
254 HD3 LYS 37 2HD LYS 37 -20.132 -2.343 -4.251
255 HE2 LYS 37 1HE LYS 37 -21.954 -3.871 -4.196
256 HE3 LYS 37 2HE LYS 37 -21.135 -4.094 -5.741
257 HZ1 LYS 37 3HZ LYS 37 -20.947 -6.229 -5.242
258 HZ2 LYS 37 1HZ LYS 37 -21.608 -5.987 -3.704
259 HZ3 LYS 37 2HZ LYS 37 -19.941 -5.833 -3.941
260 H LEU 38 H LEU 38 -20.446 -1.689 -6.589
261 HA LEU 38 HA LEU 38 -21.483 0.826 -6.065
262 HB2 LEU 38 1HB LEU 38 -22.608 -1.081 -7.250
263 HB3 LEU 38 2HB LEU 38 -22.959 -1.768 -5.665
264 HG LEU 38 HG LEU 38 -24.101 0.569 -5.265
265 HD11 LEU 38 1HD1 LEU 38 -24.875 1.699 -7.123
266 HD12 LEU 38 2HD1 LEU 38 -24.620 0.325 -8.197
267 HD13 LEU 38 3HD1 LEU 38 -23.240 1.257 -7.615
268 HD21 LEU 38 3HD2 LEU 38 -24.995 -1.935 -5.690
269 HD22 LEU 38 1HD2 LEU 38 -25.723 -1.107 -7.067
270 HD23 LEU 38 2HD2 LEU 38 -26.053 -0.548 -5.426
271 H SER 39 H SER 39 -20.709 1.700 -4.155
272 HA SER 39 HA SER 39 -22.164 0.936 -1.782
273 HB2 SER 39 1HB SER 39 -20.194 0.624 -0.366
274 HB3 SER 39 2HB SER 39 -20.195 -0.555 -1.677
275 HG SER 39 HG SER 39 -18.388 0.259 -2.357
276 H GLY 40 H GLY 40 -21.335 2.413 0.124
277 HA2 GLY 40 1HA GLY 40 -21.869 5.059 -0.580
278 HA3 GLY 40 2HA GLY 40 -21.142 4.550 0.937
279 HA PRO 41 HA PRO 41 -18.073 7.169 -1.352
280 HB2 PRO 41 1HB PRO 41 -17.425 8.702 0.792
281 HB3 PRO 41 2HB PRO 41 -18.780 9.074 -0.280
282 HG2 PRO 41 1HG PRO 41 -18.794 7.723 2.391
283 HG3 PRO 41 2HG PRO 41 -19.895 8.960 1.758
284 HD2 PRO 41 1HD PRO 41 -20.537 6.330 1.814
285 HD3 PRO 41 2HD PRO 41 -21.121 7.429 0.548
286 H SER 42 H SER 42 -16.393 5.796 -1.607
287 HA SER 42 HA SER 42 -15.225 4.246 0.431
288 HB2 SER 42 1HB SER 42 -15.078 4.059 -2.188
289 HB3 SER 42 2HB SER 42 -13.648 5.070 -1.980
290 HG SER 42 HG SER 42 -13.062 3.402 -0.325
291 H SER 43 H SER 43 -13.072 4.414 1.319
292 HA SER 43 HA SER 43 -12.530 7.056 2.291
293 HB2 SER 43 1HB SER 43 -10.679 5.944 3.535
294 HB3 SER 43 2HB SER 43 -12.239 5.158 3.779
295 HG SER 43 HG SER 43 -10.336 4.308 1.857
296 H GLY 44 H GLY 44 -11.207 4.963 -0.165
297 HA2 GLY 44 1HA GLY 44 -9.991 6.892 -1.675
298 HA3 GLY 44 2HA GLY 44 -8.765 6.434 -0.502
Start of MODEL 14
1 H1 GLY 1 H GLY 1 19.592 -9.240 -17.128
2 HA2 GLY 1 1HA GLY 1 17.607 -9.344 -15.164
3 HA3 GLY 1 2HA GLY 1 18.804 -10.598 -15.456
4 H SER 2 H SER 2 17.605 -8.566 -13.172
5 HA SER 2 HA SER 2 20.154 -8.494 -11.694
6 HB2 SER 2 1HB SER 2 19.237 -6.253 -12.175
7 HB3 SER 2 2HB SER 2 17.742 -6.694 -11.350
8 HG SER 2 HG SER 2 18.678 -6.210 -9.544
9 H SER 3 H SER 3 20.268 -9.436 -9.729
10 HA SER 3 HA SER 3 17.892 -10.904 -8.830
11 HB2 SER 3 1HB SER 3 20.056 -12.130 -9.301
12 HB3 SER 3 2HB SER 3 20.744 -11.297 -7.907
13 HG SER 3 HG SER 3 18.395 -12.881 -7.798
14 H GLY 4 H GLY 4 16.772 -9.426 -7.618
15 HA2 GLY 4 1HA GLY 4 17.492 -7.417 -6.013
16 HA3 GLY 4 2HA GLY 4 16.227 -8.539 -5.536
17 H SER 5 H SER 5 19.107 -7.174 -4.625
18 HA SER 5 HA SER 5 19.963 -9.447 -2.997
19 HB2 SER 5 1HB SER 5 21.227 -6.847 -3.798
20 HB3 SER 5 2HB SER 5 21.821 -7.705 -2.376
21 HG SER 5 HG SER 5 22.390 -9.413 -3.639
22 H SER 6 H SER 6 19.353 -5.964 -2.515
23 HA SER 6 HA SER 6 18.972 -6.393 0.329
24 HB2 SER 6 1HB SER 6 18.712 -3.837 -1.272
25 HB3 SER 6 2HB SER 6 18.812 -3.969 0.484
26 HG SER 6 HG SER 6 20.894 -5.248 -0.460
27 H GLY 7 H GLY 7 17.063 -5.864 1.470
28 HA2 GLY 7 1HA GLY 7 14.637 -5.364 -0.065
29 HA3 GLY 7 2HA GLY 7 14.721 -6.909 0.766
30 H GLU 8 H GLU 8 15.674 -3.597 1.676
31 HA GLU 8 HA GLU 8 14.403 -3.992 4.269
32 HB2 GLU 8 1HB GLU 8 16.141 -1.760 3.205
33 HB3 GLU 8 2HB GLU 8 15.483 -1.813 4.834
34 HG2 GLU 8 1HG GLU 8 16.724 -3.854 5.287
35 HG3 GLU 8 2HG GLU 8 17.362 -3.841 3.644
36 H LYS 9 H LYS 9 12.267 -4.003 3.119
37 HA LYS 9 HA LYS 9 10.304 -3.019 2.494
38 HB2 LYS 9 1HB LYS 9 11.432 -1.180 4.576
39 HB3 LYS 9 2HB LYS 9 9.925 -0.766 3.770
40 HG2 LYS 9 1HG LYS 9 8.762 -2.449 4.769
41 HG3 LYS 9 2HG LYS 9 10.180 -3.491 4.916
42 HD2 LYS 9 1HD LYS 9 9.838 -2.880 7.111
43 HD3 LYS 9 2HD LYS 9 10.994 -1.652 6.588
44 HE2 LYS 9 1HE LYS 9 8.041 -1.180 6.391
45 HE3 LYS 9 2HE LYS 9 8.901 -0.913 7.906
46 HZ1 LYS 9 3HZ LYS 9 10.189 0.768 6.957
47 HZ2 LYS 9 1HZ LYS 9 8.634 1.059 6.358
48 HZ3 LYS 9 2HZ LYS 9 9.796 0.323 5.373
49 HA PRO 10 HA PRO 10 12.590 -0.089 -0.425
50 HB2 PRO 10 1HB PRO 10 12.423 -1.650 -2.640
51 HB3 PRO 10 2HB PRO 10 13.777 -1.732 -1.506
52 HG2 PRO 10 1HG PRO 10 11.376 -3.507 -1.722
53 HG3 PRO 10 2HG PRO 10 13.073 -3.948 -1.459
54 HD2 PRO 10 1HD PRO 10 11.267 -3.842 0.555
55 HD3 PRO 10 2HD PRO 10 12.983 -3.456 0.791
56 H TYR 11 H TYR 11 9.697 -2.064 -0.633
57 HA TYR 11 HA TYR 11 8.434 0.012 -2.299
58 HB2 TYR 11 1HB TYR 11 7.373 -2.785 -1.969
59 HB3 TYR 11 2HB TYR 11 7.015 -1.619 -3.238
60 HD1 TYR 11 HD1 TYR 11 8.748 -1.123 -4.971
61 HD2 TYR 11 HD2 TYR 11 9.208 -4.278 -2.153
62 HE1 TYR 11 HE1 TYR 11 10.484 -2.131 -6.392
63 HE2 TYR 11 HE2 TYR 11 10.946 -5.294 -3.566
64 HH TYR 11 HH TYR 11 12.191 -3.663 -6.408
65 H GLY 12 H GLY 12 6.451 0.852 -1.703
66 HA2 GLY 12 1HA GLY 12 5.178 -0.127 0.735
67 HA3 GLY 12 2HA GLY 12 5.816 1.510 0.784
68 H CYS 13 H CYS 13 3.089 0.798 1.141
69 HA CYS 13 HA CYS 13 1.792 1.650 -1.339
70 HB2 CYS 13 1HB CYS 13 0.840 -0.300 -0.206
71 HB3 CYS 13 2HB CYS 13 0.612 0.648 1.260
72 H ASN 14 H ASN 14 0.159 3.335 -1.274
73 HA ASN 14 HA ASN 14 0.816 5.416 0.706
74 HB2 ASN 14 1HB ASN 14 0.008 5.621 -2.194
75 HB3 ASN 14 2HB ASN 14 -0.058 7.000 -1.099
76 HD21 ASN 14 1HD2 ASN 14 1.463 7.489 -3.091
77 HD22 ASN 14 2HD2 ASN 14 3.145 7.304 -2.743
78 H GLU 15 H GLU 15 -1.777 3.843 -1.087
79 HA GLU 15 HA GLU 15 -3.969 5.313 -0.364
80 HB2 GLU 15 1HB GLU 15 -3.683 2.318 -0.604
81 HB3 GLU 15 2HB GLU 15 -5.233 3.125 -0.409
82 HG2 GLU 15 1HG GLU 15 -3.372 3.865 -2.632
83 HG3 GLU 15 2HG GLU 15 -4.466 2.490 -2.770
84 H CYS 16 H CYS 16 -2.460 2.704 1.523
85 HA CYS 16 HA CYS 16 -3.973 3.637 3.872
86 HB2 CYS 16 1HB CYS 16 -3.799 1.418 4.785
87 HB3 CYS 16 2HB CYS 16 -4.406 1.284 3.137
88 H GLY 17 H GLY 17 -0.817 2.391 2.817
89 HA2 GLY 17 1HA GLY 17 1.158 3.660 3.522
90 HA3 GLY 17 2HA GLY 17 0.386 3.846 5.089
91 H LYS 18 H LYS 18 0.557 0.901 3.150
92 HA LYS 18 HA LYS 18 1.793 -0.462 5.412
93 HB2 LYS 18 1HB LYS 18 -0.226 -1.263 3.878
94 HB3 LYS 18 2HB LYS 18 1.088 -1.890 2.891
95 HG2 LYS 18 1HG LYS 18 1.936 -3.045 4.964
96 HG3 LYS 18 2HG LYS 18 0.413 -2.595 5.733
97 HD2 LYS 18 1HD LYS 18 -0.789 -3.764 3.892
98 HD3 LYS 18 2HD LYS 18 0.772 -4.313 3.279
99 HE2 LYS 18 1HE LYS 18 1.089 -5.778 5.009
100 HE3 LYS 18 2HE LYS 18 0.127 -4.824 6.136
101 HZ1 LYS 18 3HZ LYS 18 -1.616 -6.094 5.703
102 HZ2 LYS 18 1HZ LYS 18 -0.668 -7.059 4.686
103 HZ3 LYS 18 2HZ LYS 18 -1.522 -5.745 4.050
104 H ASP 19 H ASP 19 3.540 -2.043 4.979
105 HA ASP 19 HA ASP 19 5.349 -1.110 2.848
106 HB2 ASP 19 1HB ASP 19 6.482 -2.207 5.381
107 HB3 ASP 19 2HB ASP 19 7.155 -1.014 4.274
108 H PHE 20 H PHE 20 6.446 -2.644 1.705
109 HA PHE 20 HA PHE 20 6.086 -5.451 2.499
110 HB2 PHE 20 1HB PHE 20 5.868 -4.547 -0.369
111 HB3 PHE 20 2HB PHE 20 5.437 -6.111 0.315
112 HD1 PHE 20 HD2 PHE 20 4.505 -2.517 0.386
113 HD2 PHE 20 HD1 PHE 20 3.253 -6.543 0.969
114 HE1 PHE 20 HE2 PHE 20 2.182 -1.752 0.656
115 HE2 PHE 20 HE1 PHE 20 0.928 -5.785 1.240
116 HZ PHE 20 HZ PHE 20 0.390 -3.387 1.085
117 H SER 21 H SER 21 7.638 -6.925 1.549
118 HA SER 21 HA SER 21 10.246 -5.660 1.275
119 HB2 SER 21 1HB SER 21 9.378 -8.523 1.684
120 HB3 SER 21 2HB SER 21 11.056 -8.071 1.386
121 HG SER 21 HG SER 21 10.243 -8.240 3.670
122 H SER 22 H SER 22 8.169 -7.918 -0.506
123 HA SER 22 HA SER 22 9.937 -7.729 -2.827
124 HB2 SER 22 1HB SER 22 8.783 -9.908 -1.848
125 HB3 SER 22 2HB SER 22 7.440 -9.369 -2.857
126 HG SER 22 HG SER 22 9.149 -9.210 -4.560
127 H LYS 23 H LYS 23 9.167 -7.125 -4.892
128 HA LYS 23 HA LYS 23 7.416 -4.899 -4.884
129 HB2 LYS 23 1HB LYS 23 9.291 -5.153 -6.472
130 HB3 LYS 23 2HB LYS 23 8.452 -6.498 -7.233
131 HG2 LYS 23 1HG LYS 23 7.982 -4.720 -8.635
132 HG3 LYS 23 2HG LYS 23 6.545 -4.809 -7.614
133 HD2 LYS 23 1HD LYS 23 7.624 -3.066 -6.145
134 HD3 LYS 23 2HD LYS 23 8.846 -2.876 -7.404
135 HE2 LYS 23 1HE LYS 23 6.806 -2.542 -8.973
136 HE3 LYS 23 2HE LYS 23 5.926 -2.219 -7.480
137 HZ1 LYS 23 3HZ LYS 23 8.253 -0.738 -7.337
138 HZ2 LYS 23 1HZ LYS 23 6.685 -0.156 -7.595
139 HZ3 LYS 23 2HZ LYS 23 7.679 -0.521 -8.913
140 H SER 24 H SER 24 7.056 -8.248 -5.970
141 HA SER 24 HA SER 24 4.555 -8.038 -7.179
142 HB2 SER 24 1HB SER 24 5.884 -10.335 -5.738
143 HB3 SER 24 2HB SER 24 4.335 -10.500 -6.565
144 HG SER 24 HG SER 24 5.946 -11.068 -7.994
145 H TYR 25 H TYR 25 5.260 -9.130 -3.856
146 HA TYR 25 HA TYR 25 2.804 -9.505 -2.828
147 HB2 TYR 25 1HB TYR 25 5.220 -8.196 -1.617
148 HB3 TYR 25 2HB TYR 25 3.740 -8.374 -0.681
149 HD1 TYR 25 HD1 TYR 25 2.731 -10.968 -1.303
150 HD2 TYR 25 HD2 TYR 25 6.784 -9.735 -0.909
151 HE1 TYR 25 HE1 TYR 25 3.369 -13.272 -0.726
152 HE2 TYR 25 HE2 TYR 25 7.434 -12.036 -0.332
153 HH TYR 25 HH TYR 25 6.758 -14.140 -0.110
154 H LEU 26 H LEU 26 4.353 -6.319 -3.148
155 HA LEU 26 HA LEU 26 2.280 -4.788 -2.072
156 HB2 LEU 26 1HB LEU 26 4.342 -3.721 -2.368
157 HB3 LEU 26 2HB LEU 26 4.445 -4.200 -4.061
158 HG LEU 26 HG LEU 26 2.450 -2.634 -4.430
159 HD11 LEU 26 1HD1 LEU 26 3.348 -1.067 -2.107
160 HD12 LEU 26 2HD1 LEU 26 2.373 -2.490 -1.739
161 HD13 LEU 26 3HD1 LEU 26 1.740 -1.241 -2.812
162 HD21 LEU 26 3HD2 LEU 26 4.295 -0.649 -3.928
163 HD22 LEU 26 1HD2 LEU 26 4.173 -1.607 -5.404
164 HD23 LEU 26 2HD2 LEU 26 5.290 -2.092 -4.128
165 H ILE 27 H ILE 27 3.002 -5.393 -5.515
166 HA ILE 27 HA ILE 27 0.878 -4.131 -6.683
167 HB ILE 27 HB ILE 27 2.063 -6.785 -7.504
168 HG12 ILE 27 1HG1 ILE 27 2.661 -4.035 -8.597
169 HG13 ILE 27 2HG1 ILE 27 3.596 -4.766 -7.296
170 HG21 ILE 27 1HG2 ILE 27 0.524 -4.834 -9.208
171 HG22 ILE 27 2HG2 ILE 27 1.133 -6.421 -9.676
172 HG23 ILE 27 3HG2 ILE 27 -0.173 -6.290 -8.498
173 HD11 ILE 27 3HD1 ILE 27 3.343 -5.684 -10.141
174 HD12 ILE 27 1HD1 ILE 27 4.791 -5.161 -9.281
175 HD13 ILE 27 2HD1 ILE 27 4.024 -6.693 -8.865
176 H VAL 28 H VAL 28 0.901 -7.305 -5.145
177 HA VAL 28 HA VAL 28 -1.741 -8.028 -5.903
178 HB VAL 28 HB VAL 28 -0.058 -9.022 -3.599
179 HG11 VAL 28 1HG1 VAL 28 -1.655 -10.515 -3.066
180 HG12 VAL 28 2HG1 VAL 28 -2.736 -9.357 -3.843
181 HG13 VAL 28 3HG1 VAL 28 -2.140 -10.751 -4.744
182 HG21 VAL 28 3HG2 VAL 28 1.160 -9.959 -5.217
183 HG22 VAL 28 1HG2 VAL 28 -0.233 -10.995 -5.530
184 HG23 VAL 28 2HG2 VAL 28 -0.010 -9.513 -6.459
185 H HIS 29 H HIS 29 -0.360 -6.387 -3.106
186 HA HIS 29 HA HIS 29 -2.766 -6.351 -1.583
187 HB2 HIS 29 1HB HIS 29 -0.787 -6.093 -0.332
188 HB3 HIS 29 2HB HIS 29 -0.165 -4.847 -1.410
189 HD1 HIS 29 HD1 HIS 29 -2.433 -5.367 1.502
190 HD2 HIS 29 HD2 HIS 29 -1.150 -2.256 -0.935
191 HE1 HIS 29 HE1 HIS 29 -3.157 -3.258 2.665
192 H GLN 30 H GLN 30 -1.090 -3.864 -3.504
193 HA GLN 30 HA GLN 30 -2.706 -1.714 -3.189
194 HB2 GLN 30 1HB GLN 30 -1.323 -2.763 -5.640
195 HB3 GLN 30 2HB GLN 30 -2.257 -1.274 -5.701
196 HG2 GLN 30 1HG GLN 30 -0.806 -0.573 -3.676
197 HG3 GLN 30 2HG GLN 30 0.266 -1.862 -4.219
198 HE21 GLN 30 1HE2 GLN 30 1.672 0.116 -4.385
199 HE22 GLN 30 2HE2 GLN 30 1.678 0.943 -5.902
200 H ARG 31 H ARG 31 -3.561 -4.705 -4.657
201 HA ARG 31 HA ARG 31 -5.693 -3.881 -6.290
202 HB2 ARG 31 1HB ARG 31 -5.187 -6.479 -4.837
203 HB3 ARG 31 2HB ARG 31 -6.514 -6.246 -5.968
204 HG2 ARG 31 1HG ARG 31 -4.735 -5.577 -7.662
205 HG3 ARG 31 2HG ARG 31 -3.568 -6.249 -6.522
206 HD2 ARG 31 1HD ARG 31 -4.239 -8.390 -6.884
207 HD3 ARG 31 2HD ARG 31 -5.911 -7.927 -7.197
208 HE ARG 31 HE ARG 31 -5.417 -7.843 -9.422
209 HH11 ARG 31 1HH1 ARG 31 -2.449 -7.654 -7.611
210 HH12 ARG 31 2HH1 ARG 31 -1.436 -7.735 -9.013
211 HH21 ARG 31 1HH2 ARG 31 -4.093 -7.950 -11.276
212 HH22 ARG 31 2HH2 ARG 31 -2.371 -7.903 -11.098
213 H ILE 32 H ILE 32 -5.578 -4.809 -2.875
214 HA ILE 32 HA ILE 32 -8.282 -4.842 -2.294
215 HB ILE 32 HB ILE 32 -7.730 -4.521 -0.011
216 HG12 ILE 32 1HG1 ILE 32 -4.928 -3.660 -0.558
217 HG13 ILE 32 2HG1 ILE 32 -6.206 -2.462 -0.733
218 HG21 ILE 32 1HG2 ILE 32 -6.486 -6.374 0.224
219 HG22 ILE 32 2HG2 ILE 32 -6.529 -6.420 -1.538
220 HG23 ILE 32 3HG2 ILE 32 -5.144 -5.711 -0.708
221 HD11 ILE 32 3HD1 ILE 32 -5.988 -4.111 1.749
222 HD12 ILE 32 1HD1 ILE 32 -4.995 -2.672 1.521
223 HD13 ILE 32 2HD1 ILE 32 -6.754 -2.539 1.515
224 H HIS 33 H HIS 33 -6.392 -2.215 -3.298
225 HA HIS 33 HA HIS 33 -8.339 -0.276 -2.249
226 HB2 HIS 33 1HB HIS 33 -5.552 0.159 -3.344
227 HB3 HIS 33 2HB HIS 33 -6.631 1.441 -2.800
228 HD1 HIS 33 HD1 HIS 33 -7.468 0.972 -0.150
229 HD2 HIS 33 HD2 HIS 33 -3.830 -0.588 -1.413
230 HE1 HIS 33 HE1 HIS 33 -6.164 0.519 1.952
231 H THR 34 H THR 34 -8.612 -2.087 -4.621
232 HA THR 34 HA THR 34 -9.495 -0.026 -6.483
233 HB THR 34 HB THR 34 -8.536 -1.593 -8.369
234 HG1 THR 34 HG1 THR 34 -6.361 -1.903 -6.662
235 HG21 THR 34 3HG2 THR 34 -7.964 0.783 -8.020
236 HG22 THR 34 1HG2 THR 34 -6.572 -0.172 -8.529
237 HG23 THR 34 2HG2 THR 34 -6.748 0.299 -6.839
238 H GLY 35 H GLY 35 -11.323 -0.569 -7.583
239 HA2 GLY 35 1HA GLY 35 -12.592 -2.438 -8.649
240 HA3 GLY 35 2HA GLY 35 -12.345 -3.307 -7.142
241 H GLU 36 H GLU 36 -12.842 -1.161 -5.361
242 HA GLU 36 HA GLU 36 -15.654 -1.321 -5.171
243 HB2 GLU 36 1HB GLU 36 -14.226 -1.047 -3.204
244 HB3 GLU 36 2HB GLU 36 -13.727 0.540 -3.771
245 HG2 GLU 36 1HG GLU 36 -15.329 1.000 -2.159
246 HG3 GLU 36 2HG GLU 36 -16.206 1.151 -3.680
247 H LYS 37 H LYS 37 -13.483 1.298 -6.169
248 HA LYS 37 HA LYS 37 -15.325 3.335 -6.502
249 HB2 LYS 37 1HB LYS 37 -12.722 2.666 -7.810
250 HB3 LYS 37 2HB LYS 37 -13.690 3.976 -8.474
251 HG2 LYS 37 1HG LYS 37 -12.857 3.824 -5.588
252 HG3 LYS 37 2HG LYS 37 -11.936 4.669 -6.835
253 HD2 LYS 37 1HD LYS 37 -13.847 6.112 -7.287
254 HD3 LYS 37 2HD LYS 37 -14.802 5.246 -6.081
255 HE2 LYS 37 1HE LYS 37 -13.088 5.913 -4.380
256 HE3 LYS 37 2HE LYS 37 -12.346 6.930 -5.614
257 HZ1 LYS 37 3HZ LYS 37 -13.730 8.393 -4.531
258 HZ2 LYS 37 1HZ LYS 37 -14.944 7.244 -4.269
259 HZ3 LYS 37 2HZ LYS 37 -14.719 7.900 -5.812
260 H LEU 38 H LEU 38 -17.254 2.970 -7.443
261 HA LEU 38 HA LEU 38 -17.356 1.553 -10.000
262 HB2 LEU 38 1HB LEU 38 -18.920 1.196 -7.926
263 HB3 LEU 38 2HB LEU 38 -19.773 2.588 -8.590
264 HG LEU 38 HG LEU 38 -19.960 1.272 -10.748
265 HD11 LEU 38 1HD1 LEU 38 -19.781 -1.167 -10.542
266 HD12 LEU 38 2HD1 LEU 38 -19.108 -0.972 -8.924
267 HD13 LEU 38 3HD1 LEU 38 -18.224 -0.367 -10.325
268 HD21 LEU 38 3HD2 LEU 38 -21.984 0.409 -10.103
269 HD22 LEU 38 1HD2 LEU 38 -21.672 1.531 -8.778
270 HD23 LEU 38 2HD2 LEU 38 -21.364 -0.193 -8.565
271 H SER 39 H SER 39 -16.267 3.412 -11.035
272 HA SER 39 HA SER 39 -18.165 5.587 -11.630
273 HB2 SER 39 1HB SER 39 -15.176 5.558 -11.374
274 HB3 SER 39 2HB SER 39 -15.954 6.760 -12.403
275 HG SER 39 HG SER 39 -15.823 6.619 -9.684
276 H GLY 40 H GLY 40 -19.034 5.488 -13.586
277 HA2 GLY 40 1HA GLY 40 -19.079 5.390 -15.911
278 HA3 GLY 40 2HA GLY 40 -17.400 4.869 -15.895
279 HA PRO 41 HA PRO 41 -19.947 0.864 -15.025
280 HB2 PRO 41 1HB PRO 41 -22.653 1.074 -15.082
281 HB3 PRO 41 2HB PRO 41 -21.702 1.300 -13.609
282 HG2 PRO 41 1HG PRO 41 -22.852 3.357 -15.454
283 HG3 PRO 41 2HG PRO 41 -22.826 3.334 -13.681
284 HD2 PRO 41 1HD PRO 41 -21.082 4.800 -15.146
285 HD3 PRO 41 2HD PRO 41 -20.649 4.086 -13.579
286 H SER 42 H SER 42 -20.503 -0.633 -16.577
287 HA SER 42 HA SER 42 -21.968 0.058 -18.937
288 HB2 SER 42 1HB SER 42 -20.067 -0.415 -20.515
289 HB3 SER 42 2HB SER 42 -19.902 1.092 -19.616
290 HG SER 42 HG SER 42 -18.356 -1.174 -19.550
291 H SER 43 H SER 43 -23.186 -1.712 -19.023
292 HA SER 43 HA SER 43 -21.969 -4.325 -18.490
293 HB2 SER 43 1HB SER 43 -24.886 -3.547 -18.737
294 HB3 SER 43 2HB SER 43 -24.285 -5.149 -18.309
295 HG SER 43 HG SER 43 -24.857 -3.895 -16.468
296 H GLY 44 H GLY 44 -23.048 -6.153 -19.849
297 HA2 GLY 44 1HA GLY 44 -23.826 -5.536 -22.523
298 HA3 GLY 44 2HA GLY 44 -22.134 -6.003 -22.448
Start of MODEL 15
1 H1 GLY 1 H GLY 1 22.526 12.359 9.055
2 HA2 GLY 1 1HA GLY 1 23.027 10.042 8.582
3 HA3 GLY 1 2HA GLY 1 21.311 10.138 8.948
4 H SER 2 H SER 2 23.602 9.149 6.707
5 HA SER 2 HA SER 2 22.055 9.413 4.320
6 HB2 SER 2 1HB SER 2 24.588 8.030 5.086
7 HB3 SER 2 2HB SER 2 23.775 7.520 3.606
8 HG SER 2 HG SER 2 24.718 10.111 4.264
9 H SER 3 H SER 3 20.121 8.442 4.252
10 HA SER 3 HA SER 3 19.802 5.755 5.348
11 HB2 SER 3 1HB SER 3 17.894 7.887 4.432
12 HB3 SER 3 2HB SER 3 17.348 6.219 4.599
13 HG SER 3 HG SER 3 17.178 6.623 6.643
14 H GLY 4 H GLY 4 19.216 3.969 4.144
15 HA2 GLY 4 1HA GLY 4 19.091 4.301 1.223
16 HA3 GLY 4 2HA GLY 4 20.249 3.174 1.915
17 H SER 5 H SER 5 17.091 3.593 0.792
18 HA SER 5 HA SER 5 16.245 1.042 1.999
19 HB2 SER 5 1HB SER 5 14.708 3.474 1.142
20 HB3 SER 5 2HB SER 5 13.911 1.902 1.201
21 HG SER 5 HG SER 5 14.033 1.902 3.327
22 H SER 6 H SER 6 17.224 -0.290 0.465
23 HA SER 6 HA SER 6 15.945 -0.231 -2.187
24 HB2 SER 6 1HB SER 6 18.837 -0.892 -1.580
25 HB3 SER 6 2HB SER 6 18.070 -1.072 -3.157
26 HG SER 6 HG SER 6 18.190 1.014 -3.455
27 H GLY 7 H GLY 7 17.519 -2.185 0.306
28 HA2 GLY 7 1HA GLY 7 16.269 -4.588 -0.860
29 HA3 GLY 7 2HA GLY 7 17.661 -4.596 0.213
30 H GLU 8 H GLU 8 16.320 -2.543 1.947
31 HA GLU 8 HA GLU 8 14.708 -4.454 3.467
32 HB2 GLU 8 1HB GLU 8 16.722 -2.993 4.360
33 HB3 GLU 8 2HB GLU 8 15.469 -1.771 4.537
34 HG2 GLU 8 1HG GLU 8 14.186 -3.278 5.958
35 HG3 GLU 8 2HG GLU 8 15.427 -4.516 5.771
36 H LYS 9 H LYS 9 12.663 -4.388 2.694
37 HA LYS 9 HA LYS 9 10.614 -3.583 2.084
38 HB2 LYS 9 1HB LYS 9 11.400 -2.036 4.514
39 HB3 LYS 9 2HB LYS 9 9.925 -1.583 3.671
40 HG2 LYS 9 1HG LYS 9 9.200 -3.983 3.876
41 HG3 LYS 9 2HG LYS 9 10.580 -4.222 4.952
42 HD2 LYS 9 1HD LYS 9 8.569 -2.046 5.438
43 HD3 LYS 9 2HD LYS 9 8.300 -3.694 6.010
44 HE2 LYS 9 1HE LYS 9 10.805 -2.147 6.629
45 HE3 LYS 9 2HE LYS 9 9.369 -2.073 7.648
46 HZ1 LYS 9 3HZ LYS 9 9.701 -4.150 8.422
47 HZ2 LYS 9 1HZ LYS 9 11.311 -3.833 8.011
48 HZ3 LYS 9 2HZ LYS 9 10.332 -4.732 6.964
49 HA PRO 10 HA PRO 10 12.576 0.049 -0.213
50 HB2 PRO 10 1HB PRO 10 12.703 -1.145 -2.648
51 HB3 PRO 10 2HB PRO 10 14.014 -1.233 -1.465
52 HG2 PRO 10 1HG PRO 10 11.886 -3.245 -2.088
53 HG3 PRO 10 2HG PRO 10 13.617 -3.500 -1.800
54 HD2 PRO 10 1HD PRO 10 11.743 -3.952 0.101
55 HD3 PRO 10 2HD PRO 10 13.381 -3.390 0.490
56 H TYR 11 H TYR 11 9.878 -2.069 -0.549
57 HA TYR 11 HA TYR 11 8.500 -0.117 -2.269
58 HB2 TYR 11 1HB TYR 11 7.715 -2.988 -1.738
59 HB3 TYR 11 2HB TYR 11 6.994 -1.897 -2.916
60 HD1 TYR 11 HD1 TYR 11 8.170 -1.347 -4.986
61 HD2 TYR 11 HD2 TYR 11 9.832 -4.070 -2.171
62 HE1 TYR 11 HE1 TYR 11 9.760 -2.130 -6.691
63 HE2 TYR 11 HE2 TYR 11 11.428 -4.859 -3.868
64 HH TYR 11 HH TYR 11 12.424 -3.539 -6.213
65 H GLY 12 H GLY 12 6.401 0.568 -1.733
66 HA2 GLY 12 1HA GLY 12 5.219 -0.257 0.780
67 HA3 GLY 12 2HA GLY 12 5.852 1.383 0.776
68 H CYS 13 H CYS 13 3.100 0.496 1.100
69 HA CYS 13 HA CYS 13 1.804 1.354 -1.370
70 HB2 CYS 13 1HB CYS 13 0.933 -0.621 -0.147
71 HB3 CYS 13 2HB CYS 13 0.573 0.416 1.230
72 H ASN 14 H ASN 14 1.336 3.416 -1.700
73 HA ASN 14 HA ASN 14 1.502 5.340 0.436
74 HB2 ASN 14 1HB ASN 14 2.168 5.572 -2.106
75 HB3 ASN 14 2HB ASN 14 0.481 6.042 -2.288
76 HD21 ASN 14 1HD2 ASN 14 2.626 7.733 -2.833
77 HD22 ASN 14 2HD2 ASN 14 2.601 9.038 -1.701
78 H GLU 15 H GLU 15 -1.021 3.791 -1.438
79 HA GLU 15 HA GLU 15 -3.201 5.377 -1.031
80 HB2 GLU 15 1HB GLU 15 -2.965 2.374 -0.953
81 HB3 GLU 15 2HB GLU 15 -4.517 3.193 -0.857
82 HG2 GLU 15 1HG GLU 15 -4.321 2.675 -3.102
83 HG3 GLU 15 2HG GLU 15 -3.807 4.359 -3.030
84 H CYS 16 H CYS 16 -2.168 2.793 1.204
85 HA CYS 16 HA CYS 16 -3.670 4.157 3.337
86 HB2 CYS 16 1HB CYS 16 -3.795 2.032 4.474
87 HB3 CYS 16 2HB CYS 16 -4.333 1.810 2.813
88 H GLY 17 H GLY 17 -0.608 2.498 2.642
89 HA2 GLY 17 1HA GLY 17 1.380 3.812 3.446
90 HA3 GLY 17 2HA GLY 17 0.550 3.859 4.995
91 H LYS 18 H LYS 18 0.398 1.002 3.031
92 HA LYS 18 HA LYS 18 1.550 -0.584 5.111
93 HB2 LYS 18 1HB LYS 18 -0.238 -1.142 3.209
94 HB3 LYS 18 2HB LYS 18 1.207 -1.694 2.370
95 HG2 LYS 18 1HG LYS 18 0.250 -3.564 3.479
96 HG3 LYS 18 2HG LYS 18 1.721 -3.123 4.349
97 HD2 LYS 18 1HD LYS 18 0.356 -1.909 5.999
98 HD3 LYS 18 2HD LYS 18 -1.104 -2.405 5.139
99 HE2 LYS 18 1HE LYS 18 -0.952 -4.570 5.851
100 HE3 LYS 18 2HE LYS 18 0.807 -4.522 5.970
101 HZ1 LYS 18 3HZ LYS 18 -0.881 -4.416 8.064
102 HZ2 LYS 18 1HZ LYS 18 -0.548 -2.775 7.820
103 HZ3 LYS 18 2HZ LYS 18 0.718 -3.865 8.089
104 H ASP 19 H ASP 19 3.319 -2.170 4.660
105 HA ASP 19 HA ASP 19 5.370 -1.083 2.858
106 HB2 ASP 19 1HB ASP 19 6.212 -2.168 5.511
107 HB3 ASP 19 2HB ASP 19 7.011 -0.984 4.481
108 H PHE 20 H PHE 20 6.438 -2.574 1.697
109 HA PHE 20 HA PHE 20 6.262 -5.388 2.523
110 HB2 PHE 20 1HB PHE 20 5.882 -4.484 -0.333
111 HB3 PHE 20 2HB PHE 20 5.671 -6.107 0.316
112 HD1 PHE 20 HD2 PHE 20 4.246 -2.717 0.190
113 HD2 PHE 20 HD1 PHE 20 3.647 -6.762 1.370
114 HE1 PHE 20 HE2 PHE 20 1.860 -2.251 0.562
115 HE2 PHE 20 HE1 PHE 20 1.259 -6.303 1.744
116 HZ PHE 20 HZ PHE 20 0.362 -4.045 1.341
117 H SER 21 H SER 21 7.830 -6.782 1.349
118 HA SER 21 HA SER 21 10.361 -5.341 1.043
119 HB2 SER 21 1HB SER 21 10.102 -7.290 2.668
120 HB3 SER 21 2HB SER 21 10.007 -8.333 1.249
121 HG SER 21 HG SER 21 12.171 -7.682 2.399
122 H SER 22 H SER 22 8.252 -7.624 -0.621
123 HA SER 22 HA SER 22 9.983 -7.534 -2.982
124 HB2 SER 22 1HB SER 22 8.849 -9.682 -1.910
125 HB3 SER 22 2HB SER 22 7.486 -9.172 -2.907
126 HG SER 22 HG SER 22 9.429 -10.600 -3.728
127 H LYS 23 H LYS 23 9.068 -7.117 -5.080
128 HA LYS 23 HA LYS 23 7.347 -4.845 -5.084
129 HB2 LYS 23 1HB LYS 23 9.237 -5.325 -6.713
130 HB3 LYS 23 2HB LYS 23 8.159 -6.479 -7.487
131 HG2 LYS 23 1HG LYS 23 6.635 -4.766 -8.109
132 HG3 LYS 23 2HG LYS 23 7.473 -3.575 -7.111
133 HD2 LYS 23 1HD LYS 23 9.392 -3.630 -8.547
134 HD3 LYS 23 2HD LYS 23 8.728 -4.986 -9.463
135 HE2 LYS 23 1HE LYS 23 6.796 -3.469 -10.057
136 HE3 LYS 23 2HE LYS 23 7.735 -2.144 -9.372
137 HZ1 LYS 23 3HZ LYS 23 8.839 -3.895 -11.484
138 HZ2 LYS 23 1HZ LYS 23 9.359 -2.355 -11.013
139 HZ3 LYS 23 2HZ LYS 23 7.907 -2.534 -11.860
140 H SER 24 H SER 24 6.968 -8.237 -6.004
141 HA SER 24 HA SER 24 4.429 -8.071 -7.158
142 HB2 SER 24 1HB SER 24 5.954 -10.277 -5.809
143 HB3 SER 24 2HB SER 24 4.278 -10.535 -6.293
144 HG SER 24 HG SER 24 6.137 -10.999 -7.839
145 H TYR 25 H TYR 25 5.246 -9.083 -3.834
146 HA TYR 25 HA TYR 25 2.831 -9.437 -2.714
147 HB2 TYR 25 1HB TYR 25 5.190 -7.953 -1.553
148 HB3 TYR 25 2HB TYR 25 3.778 -8.403 -0.602
149 HD1 TYR 25 HD1 TYR 25 3.143 -11.078 -1.438
150 HD2 TYR 25 HD2 TYR 25 6.967 -9.285 -0.918
151 HE1 TYR 25 HE1 TYR 25 4.122 -13.297 -1.029
152 HE2 TYR 25 HE2 TYR 25 7.956 -11.500 -0.509
153 HH TYR 25 HH TYR 25 7.336 -13.698 0.152
154 H LEU 26 H LEU 26 4.361 -6.244 -3.090
155 HA LEU 26 HA LEU 26 2.281 -4.718 -2.024
156 HB2 LEU 26 1HB LEU 26 4.334 -3.639 -2.332
157 HB3 LEU 26 2HB LEU 26 4.438 -4.131 -4.021
158 HG LEU 26 HG LEU 26 2.494 -2.576 -4.463
159 HD11 LEU 26 1HD1 LEU 26 1.874 -0.960 -2.884
160 HD12 LEU 26 2HD1 LEU 26 3.233 -1.342 -1.828
161 HD13 LEU 26 3HD1 LEU 26 1.895 -2.479 -1.988
162 HD21 LEU 26 3HD2 LEU 26 4.718 -1.960 -5.119
163 HD22 LEU 26 1HD2 LEU 26 5.118 -1.471 -3.472
164 HD23 LEU 26 2HD2 LEU 26 3.935 -0.551 -4.403
165 H ILE 27 H ILE 27 3.002 -5.320 -5.467
166 HA ILE 27 HA ILE 27 0.868 -4.087 -6.639
167 HB ILE 27 HB ILE 27 2.052 -6.745 -7.445
168 HG12 ILE 27 1HG1 ILE 27 2.666 -4.000 -8.542
169 HG13 ILE 27 2HG1 ILE 27 3.596 -4.737 -7.242
170 HG21 ILE 27 1HG2 ILE 27 1.152 -6.334 -9.644
171 HG22 ILE 27 2HG2 ILE 27 -0.156 -6.302 -8.462
172 HG23 ILE 27 3HG2 ILE 27 0.479 -4.792 -9.116
173 HD11 ILE 27 3HD1 ILE 27 4.844 -5.243 -9.106
174 HD12 ILE 27 1HD1 ILE 27 3.878 -6.704 -8.898
175 HD13 ILE 27 2HD1 ILE 27 3.422 -5.512 -10.115
176 H VAL 28 H VAL 28 0.914 -7.288 -5.139
177 HA VAL 28 HA VAL 28 -1.720 -8.024 -5.869
178 HB VAL 28 HB VAL 28 -0.050 -8.968 -3.534
179 HG11 VAL 28 1HG1 VAL 28 -2.685 -9.323 -3.694
180 HG12 VAL 28 2HG1 VAL 28 -2.170 -10.657 -4.729
181 HG13 VAL 28 3HG1 VAL 28 -1.599 -10.561 -3.063
182 HG21 VAL 28 3HG2 VAL 28 1.154 -10.094 -5.021
183 HG22 VAL 28 1HG2 VAL 28 -0.306 -10.899 -5.598
184 HG23 VAL 28 2HG2 VAL 28 0.214 -9.382 -6.332
185 H HIS 29 H HIS 29 -0.370 -6.416 -3.023
186 HA HIS 29 HA HIS 29 -2.788 -6.352 -1.542
187 HB2 HIS 29 1HB HIS 29 -0.746 -6.077 -0.341
188 HB3 HIS 29 2HB HIS 29 -0.246 -4.736 -1.366
189 HD1 HIS 29 HD1 HIS 29 -2.434 -5.573 1.540
190 HD2 HIS 29 HD2 HIS 29 -1.377 -2.252 -0.721
191 HE1 HIS 29 HE1 HIS 29 -3.280 -3.585 2.828
192 H GLN 30 H GLN 30 -1.123 -3.866 -3.474
193 HA GLN 30 HA GLN 30 -2.777 -1.735 -3.188
194 HB2 GLN 30 1HB GLN 30 -1.299 -2.772 -5.583
195 HB3 GLN 30 2HB GLN 30 -2.295 -1.330 -5.717
196 HG2 GLN 30 1HG GLN 30 -0.941 -0.527 -3.650
197 HG3 GLN 30 2HG GLN 30 0.211 -1.760 -4.161
198 HE21 GLN 30 1HE2 GLN 30 0.699 1.026 -4.080
199 HE22 GLN 30 2HE2 GLN 30 1.004 1.555 -5.696
200 H ARG 31 H ARG 31 -3.563 -4.748 -4.642
201 HA ARG 31 HA ARG 31 -5.670 -3.972 -6.330
202 HB2 ARG 31 1HB ARG 31 -5.303 -6.554 -4.800
203 HB3 ARG 31 2HB ARG 31 -6.431 -6.313 -6.126
204 HG2 ARG 31 1HG ARG 31 -4.613 -5.944 -7.665
205 HG3 ARG 31 2HG ARG 31 -3.442 -6.038 -6.349
206 HD2 ARG 31 1HD ARG 31 -3.432 -8.141 -7.469
207 HD3 ARG 31 2HD ARG 31 -4.242 -8.369 -5.919
208 HE ARG 31 HE ARG 31 -5.433 -8.537 -8.557
209 HH11 ARG 31 1HH1 ARG 31 -5.942 -8.303 -5.121
210 HH12 ARG 31 2HH1 ARG 31 -7.558 -8.924 -5.186
211 HH21 ARG 31 1HH2 ARG 31 -7.559 -9.356 -8.656
212 HH22 ARG 31 2HH2 ARG 31 -8.477 -9.523 -7.198
213 H ILE 32 H ILE 32 -5.602 -4.813 -2.895
214 HA ILE 32 HA ILE 32 -8.350 -4.836 -2.410
215 HB ILE 32 HB ILE 32 -7.858 -4.592 -0.100
216 HG12 ILE 32 1HG1 ILE 32 -5.002 -3.870 -0.501
217 HG13 ILE 32 2HG1 ILE 32 -6.192 -2.599 -0.759
218 HG21 ILE 32 1HG2 ILE 32 -6.275 -6.313 0.257
219 HG22 ILE 32 2HG2 ILE 32 -7.023 -6.648 -1.304
220 HG23 ILE 32 3HG2 ILE 32 -5.415 -5.929 -1.234
221 HD11 ILE 32 3HD1 ILE 32 -6.502 -2.330 1.419
222 HD12 ILE 32 1HD1 ILE 32 -6.679 -4.064 1.689
223 HD13 ILE 32 2HD1 ILE 32 -5.072 -3.336 1.645
224 H HIS 33 H HIS 33 -6.419 -2.273 -3.392
225 HA HIS 33 HA HIS 33 -8.287 -0.285 -2.287
226 HB2 HIS 33 1HB HIS 33 -5.477 0.071 -3.348
227 HB3 HIS 33 2HB HIS 33 -6.517 1.385 -2.805
228 HD1 HIS 33 HD1 HIS 33 -7.373 0.985 -0.173
229 HD2 HIS 33 HD2 HIS 33 -3.838 -0.820 -1.400
230 HE1 HIS 33 HE1 HIS 33 -6.122 0.450 1.942
231 H THR 34 H THR 34 -6.501 -1.140 -5.238
232 HA THR 34 HA THR 34 -7.838 0.721 -6.906
233 HB THR 34 HB THR 34 -7.016 -0.930 -8.754
234 HG1 THR 34 HG1 THR 34 -5.292 -1.791 -6.684
235 HG21 THR 34 3HG2 THR 34 -4.859 0.086 -8.730
236 HG22 THR 34 1HG2 THR 34 -4.937 0.356 -6.990
237 HG23 THR 34 2HG2 THR 34 -5.991 1.268 -8.071
238 H GLY 35 H GLY 35 -9.481 0.401 -8.430
239 HA2 GLY 35 1HA GLY 35 -11.141 -0.894 -9.534
240 HA3 GLY 35 2HA GLY 35 -10.960 -2.129 -8.296
241 H GLU 36 H GLU 36 -11.618 1.370 -8.146
242 HA GLU 36 HA GLU 36 -14.210 0.783 -6.916
243 HB2 GLU 36 1HB GLU 36 -12.157 2.656 -5.724
244 HB3 GLU 36 2HB GLU 36 -13.800 2.435 -5.138
245 HG2 GLU 36 1HG GLU 36 -11.984 0.081 -5.339
246 HG3 GLU 36 2HG GLU 36 -11.813 1.206 -3.993
247 H LYS 37 H LYS 37 -15.775 2.355 -7.215
248 HA LYS 37 HA LYS 37 -15.141 4.326 -9.285
249 HB2 LYS 37 1HB LYS 37 -17.534 4.441 -9.681
250 HB3 LYS 37 2HB LYS 37 -17.006 2.764 -9.697
251 HG2 LYS 37 1HG LYS 37 -18.001 2.305 -7.637
252 HG3 LYS 37 2HG LYS 37 -18.141 4.015 -7.222
253 HD2 LYS 37 1HD LYS 37 -20.309 3.528 -7.817
254 HD3 LYS 37 2HD LYS 37 -19.659 4.095 -9.357
255 HE2 LYS 37 1HE LYS 37 -19.515 1.192 -8.673
256 HE3 LYS 37 2HE LYS 37 -21.039 1.876 -9.235
257 HZ1 LYS 37 3HZ LYS 37 -19.890 2.674 -11.219
258 HZ2 LYS 37 1HZ LYS 37 -19.772 0.992 -11.075
259 HZ3 LYS 37 2HZ LYS 37 -18.448 1.970 -10.684
260 H LEU 38 H LEU 38 -16.200 6.466 -9.142
261 HA LEU 38 HA LEU 38 -15.604 7.705 -6.652
262 HB2 LEU 38 1HB LEU 38 -16.632 8.583 -9.294
263 HB3 LEU 38 2HB LEU 38 -16.908 9.647 -7.916
264 HG LEU 38 HG LEU 38 -14.911 10.268 -9.206
265 HD11 LEU 38 1HD1 LEU 38 -13.373 10.433 -7.317
266 HD12 LEU 38 2HD1 LEU 38 -14.314 9.227 -6.439
267 HD13 LEU 38 3HD1 LEU 38 -15.029 10.792 -6.828
268 HD21 LEU 38 3HD2 LEU 38 -13.080 8.292 -8.353
269 HD22 LEU 38 1HD2 LEU 38 -13.552 8.707 -10.001
270 HD23 LEU 38 2HD2 LEU 38 -14.433 7.459 -9.120
271 H SER 39 H SER 39 -16.895 8.290 -5.003
272 HA SER 39 HA SER 39 -19.795 7.868 -5.311
273 HB2 SER 39 1HB SER 39 -19.832 7.081 -2.949
274 HB3 SER 39 2HB SER 39 -18.894 6.026 -4.006
275 HG SER 39 HG SER 39 -17.008 7.035 -3.221
276 H GLY 40 H GLY 40 -20.885 9.690 -5.029
277 HA2 GLY 40 1HA GLY 40 -21.438 11.362 -3.232
278 HA3 GLY 40 2HA GLY 40 -19.724 11.750 -3.257
279 HA PRO 41 HA PRO 41 -20.220 14.657 -6.498
280 HB2 PRO 41 1HB PRO 41 -18.356 14.001 -8.360
281 HB3 PRO 41 2HB PRO 41 -17.941 14.698 -6.790
282 HG2 PRO 41 1HG PRO 41 -17.871 11.838 -7.671
283 HG3 PRO 41 2HG PRO 41 -16.686 12.742 -6.710
284 HD2 PRO 41 1HD PRO 41 -18.486 11.055 -5.593
285 HD3 PRO 41 2HD PRO 41 -17.902 12.513 -4.765
286 H SER 42 H SER 42 -21.182 11.555 -6.961
287 HA SER 42 HA SER 42 -21.784 11.744 -9.795
288 HB2 SER 42 1HB SER 42 -21.109 9.584 -8.688
289 HB3 SER 42 2HB SER 42 -22.658 9.603 -7.844
290 HG SER 42 HG SER 42 -23.447 9.900 -10.190
291 H SER 43 H SER 43 -23.427 12.991 -10.390
292 HA SER 43 HA SER 43 -25.545 13.808 -10.587
293 HB2 SER 43 1HB SER 43 -26.055 11.299 -10.009
294 HB3 SER 43 2HB SER 43 -26.555 11.959 -8.452
295 HG SER 43 HG SER 43 -28.335 12.543 -9.378
296 H GLY 44 H GLY 44 -23.826 15.199 -9.008
297 HA2 GLY 44 1HA GLY 44 -24.655 17.199 -7.800
298 HA3 GLY 44 2HA GLY 44 -25.552 16.086 -6.778
Start of MODEL 16
1 H1 GLY 1 H GLY 1 17.526 8.276 -8.924
2 HA2 GLY 1 1HA GLY 1 17.780 6.904 -7.083
3 HA3 GLY 1 2HA GLY 1 16.275 7.669 -6.594
4 H SER 2 H SER 2 17.570 4.961 -8.485
5 HA SER 2 HA SER 2 15.157 3.433 -7.756
6 HB2 SER 2 1HB SER 2 15.162 3.875 -10.154
7 HB3 SER 2 2HB SER 2 16.799 3.233 -10.293
8 HG SER 2 HG SER 2 15.713 1.261 -9.288
9 H SER 3 H SER 3 15.422 1.283 -7.154
10 HA SER 3 HA SER 3 18.162 0.276 -6.910
11 HB2 SER 3 1HB SER 3 17.773 -0.397 -4.577
12 HB3 SER 3 2HB SER 3 17.632 1.351 -4.762
13 HG SER 3 HG SER 3 15.405 1.152 -4.695
14 H GLY 4 H GLY 4 18.197 -2.062 -6.282
15 HA2 GLY 4 1HA GLY 4 15.770 -3.461 -7.214
16 HA3 GLY 4 2HA GLY 4 17.358 -3.888 -7.836
17 H SER 5 H SER 5 18.963 -4.049 -5.737
18 HA SER 5 HA SER 5 18.702 -6.478 -4.647
19 HB2 SER 5 1HB SER 5 20.673 -5.112 -4.245
20 HB3 SER 5 2HB SER 5 19.748 -4.029 -3.205
21 HG SER 5 HG SER 5 21.073 -5.805 -2.211
22 H SER 6 H SER 6 17.866 -7.423 -2.760
23 HA SER 6 HA SER 6 15.290 -7.085 -2.110
24 HB2 SER 6 1HB SER 6 16.671 -8.908 -1.209
25 HB3 SER 6 2HB SER 6 17.461 -7.775 -0.113
26 HG SER 6 HG SER 6 15.664 -9.029 0.781
27 H GLY 7 H GLY 7 17.896 -5.599 -0.168
28 HA2 GLY 7 1HA GLY 7 17.951 -3.615 0.993
29 HA3 GLY 7 2HA GLY 7 16.553 -3.107 0.058
30 H GLU 8 H GLU 8 15.896 -2.084 2.085
31 HA GLU 8 HA GLU 8 14.588 -4.015 3.887
32 HB2 GLU 8 1HB GLU 8 14.844 -2.352 5.693
33 HB3 GLU 8 2HB GLU 8 16.392 -2.895 5.061
34 HG2 GLU 8 1HG GLU 8 16.130 -0.766 3.535
35 HG3 GLU 8 2HG GLU 8 15.079 -0.242 4.849
36 H LYS 9 H LYS 9 12.579 -4.017 2.974
37 HA LYS 9 HA LYS 9 10.513 -3.287 2.346
38 HB2 LYS 9 1HB LYS 9 11.195 -1.413 4.603
39 HB3 LYS 9 2HB LYS 9 9.632 -1.364 3.798
40 HG2 LYS 9 1HG LYS 9 9.170 -3.634 4.455
41 HG3 LYS 9 2HG LYS 9 10.785 -3.795 5.150
42 HD2 LYS 9 1HD LYS 9 10.236 -1.995 6.752
43 HD3 LYS 9 2HD LYS 9 8.603 -1.931 6.086
44 HE2 LYS 9 1HE LYS 9 9.826 -4.420 7.260
45 HE3 LYS 9 2HE LYS 9 8.863 -3.278 8.196
46 HZ1 LYS 9 3HZ LYS 9 7.557 -5.162 7.370
47 HZ2 LYS 9 1HZ LYS 9 7.910 -4.713 5.778
48 HZ3 LYS 9 2HZ LYS 9 6.992 -3.688 6.761
49 HA PRO 10 HA PRO 10 12.453 0.248 -0.121
50 HB2 PRO 10 1HB PRO 10 12.657 -1.081 -2.479
51 HB3 PRO 10 2HB PRO 10 13.944 -1.071 -1.268
52 HG2 PRO 10 1HG PRO 10 11.874 -3.163 -1.815
53 HG3 PRO 10 2HG PRO 10 13.604 -3.362 -1.479
54 HD2 PRO 10 1HD PRO 10 11.699 -3.746 0.407
55 HD3 PRO 10 2HD PRO 10 13.317 -3.126 0.796
56 H TYR 11 H TYR 11 9.886 -2.067 -0.600
57 HA TYR 11 HA TYR 11 8.463 -0.162 -2.330
58 HB2 TYR 11 1HB TYR 11 7.827 -3.079 -1.853
59 HB3 TYR 11 2HB TYR 11 7.084 -2.021 -3.047
60 HD1 TYR 11 HD1 TYR 11 8.353 -1.313 -5.038
61 HD2 TYR 11 HD2 TYR 11 9.967 -4.089 -2.246
62 HE1 TYR 11 HE1 TYR 11 10.049 -1.978 -6.689
63 HE2 TYR 11 HE2 TYR 11 11.669 -4.760 -3.890
64 HH TYR 11 HH TYR 11 11.714 -4.666 -6.634
65 H GLY 12 H GLY 12 6.651 0.817 -1.647
66 HA2 GLY 12 1HA GLY 12 5.244 -0.246 0.695
67 HA3 GLY 12 2HA GLY 12 5.872 1.392 0.784
68 H CYS 13 H CYS 13 3.139 0.673 1.040
69 HA CYS 13 HA CYS 13 1.909 1.496 -1.478
70 HB2 CYS 13 1HB CYS 13 0.868 -0.384 -0.365
71 HB3 CYS 13 2HB CYS 13 0.713 0.537 1.128
72 H ASN 14 H ASN 14 0.584 3.316 -1.674
73 HA ASN 14 HA ASN 14 1.157 5.419 0.291
74 HB2 ASN 14 1HB ASN 14 0.101 5.698 -2.531
75 HB3 ASN 14 2HB ASN 14 0.617 7.008 -1.472
76 HD21 ASN 14 1HD2 ASN 14 1.520 5.126 -3.992
77 HD22 ASN 14 2HD2 ASN 14 3.237 5.261 -3.860
78 H GLU 15 H GLU 15 -1.456 3.746 -1.348
79 HA GLU 15 HA GLU 15 -3.627 5.317 -0.736
80 HB2 GLU 15 1HB GLU 15 -3.285 2.347 -0.967
81 HB3 GLU 15 2HB GLU 15 -4.840 3.019 -0.501
82 HG2 GLU 15 1HG GLU 15 -4.966 2.717 -2.815
83 HG3 GLU 15 2HG GLU 15 -4.693 4.444 -2.589
84 H CYS 16 H CYS 16 -2.262 2.720 1.287
85 HA CYS 16 HA CYS 16 -3.671 3.896 3.591
86 HB2 CYS 16 1HB CYS 16 -3.699 1.730 4.611
87 HB3 CYS 16 2HB CYS 16 -4.272 1.535 2.958
88 H GLY 17 H GLY 17 -0.630 2.371 2.574
89 HA2 GLY 17 1HA GLY 17 1.405 3.637 3.250
90 HA3 GLY 17 2HA GLY 17 0.683 3.726 4.850
91 H LYS 18 H LYS 18 0.313 0.808 3.043
92 HA LYS 18 HA LYS 18 1.575 -0.746 5.052
93 HB2 LYS 18 1HB LYS 18 -0.266 -1.331 3.223
94 HB3 LYS 18 2HB LYS 18 1.148 -1.864 2.322
95 HG2 LYS 18 1HG LYS 18 0.166 -3.720 3.511
96 HG3 LYS 18 2HG LYS 18 1.757 -3.347 4.180
97 HD2 LYS 18 1HD LYS 18 0.862 -2.432 6.122
98 HD3 LYS 18 2HD LYS 18 -0.717 -2.160 5.382
99 HE2 LYS 18 1HE LYS 18 0.432 -4.895 5.904
100 HE3 LYS 18 2HE LYS 18 -0.613 -4.046 7.042
101 HZ1 LYS 18 3HZ LYS 18 -1.643 -5.701 5.378
102 HZ2 LYS 18 1HZ LYS 18 -1.483 -4.443 4.257
103 HZ3 LYS 18 2HZ LYS 18 -2.421 -4.223 5.646
104 H ASP 19 H ASP 19 3.323 -2.353 4.547
105 HA ASP 19 HA ASP 19 5.336 -1.264 2.704
106 HB2 ASP 19 1HB ASP 19 6.237 -2.383 5.323
107 HB3 ASP 19 2HB ASP 19 7.015 -1.189 4.288
108 H PHE 20 H PHE 20 6.370 -2.750 1.505
109 HA PHE 20 HA PHE 20 6.215 -5.568 2.312
110 HB2 PHE 20 1HB PHE 20 5.704 -4.640 -0.517
111 HB3 PHE 20 2HB PHE 20 5.538 -6.273 0.121
112 HD1 PHE 20 HD2 PHE 20 4.053 -2.922 0.008
113 HD2 PHE 20 HD1 PHE 20 3.595 -6.935 1.353
114 HE1 PHE 20 HE2 PHE 20 1.681 -2.485 0.496
115 HE2 PHE 20 HE1 PHE 20 1.222 -6.504 1.842
116 HZ PHE 20 HZ PHE 20 0.263 -4.276 1.415
117 H SER 21 H SER 21 7.986 -6.787 1.834
118 HA SER 21 HA SER 21 10.418 -5.430 1.283
119 HB2 SER 21 1HB SER 21 10.092 -7.542 2.693
120 HB3 SER 21 2HB SER 21 10.039 -8.422 1.166
121 HG SER 21 HG SER 21 12.172 -6.913 2.250
122 H SER 22 H SER 22 8.463 -7.735 -0.585
123 HA SER 22 HA SER 22 10.107 -7.164 -2.947
124 HB2 SER 22 1HB SER 22 8.257 -9.417 -2.215
125 HB3 SER 22 2HB SER 22 8.692 -9.124 -3.898
126 HG SER 22 HG SER 22 10.422 -9.722 -1.735
127 H LYS 23 H LYS 23 9.154 -6.570 -4.926
128 HA LYS 23 HA LYS 23 7.098 -4.672 -4.760
129 HB2 LYS 23 1HB LYS 23 8.962 -5.090 -6.572
130 HB3 LYS 23 2HB LYS 23 7.707 -6.046 -7.348
131 HG2 LYS 23 1HG LYS 23 6.281 -4.157 -7.556
132 HG3 LYS 23 2HG LYS 23 7.328 -3.178 -6.526
133 HD2 LYS 23 1HD LYS 23 7.745 -2.525 -8.778
134 HD3 LYS 23 2HD LYS 23 9.133 -3.479 -8.249
135 HE2 LYS 23 1HE LYS 23 6.880 -4.875 -9.603
136 HE3 LYS 23 2HE LYS 23 7.971 -3.897 -10.584
137 HZ1 LYS 23 3HZ LYS 23 9.138 -5.804 -10.641
138 HZ2 LYS 23 1HZ LYS 23 8.460 -6.410 -9.215
139 HZ3 LYS 23 2HZ LYS 23 9.719 -5.283 -9.140
140 H SER 24 H SER 24 7.052 -7.963 -6.124
141 HA SER 24 HA SER 24 4.547 -8.207 -7.072
142 HB2 SER 24 1HB SER 24 6.259 -10.105 -5.518
143 HB3 SER 24 2HB SER 24 4.605 -10.578 -5.906
144 HG SER 24 HG SER 24 5.092 -10.246 -8.101
145 H TYR 25 H TYR 25 5.270 -8.983 -3.664
146 HA TYR 25 HA TYR 25 2.795 -9.341 -2.657
147 HB2 TYR 25 1HB TYR 25 5.087 -7.821 -1.409
148 HB3 TYR 25 2HB TYR 25 3.638 -8.283 -0.521
149 HD1 TYR 25 HD1 TYR 25 3.071 -10.968 -1.302
150 HD2 TYR 25 HD2 TYR 25 6.864 -9.126 -0.734
151 HE1 TYR 25 HE1 TYR 25 4.061 -13.169 -0.824
152 HE2 TYR 25 HE2 TYR 25 7.865 -11.322 -0.255
153 HH TYR 25 HH TYR 25 7.503 -13.604 -0.505
154 H LEU 26 H LEU 26 4.351 -6.146 -2.936
155 HA LEU 26 HA LEU 26 2.220 -4.608 -2.029
156 HB2 LEU 26 1HB LEU 26 4.291 -3.538 -2.252
157 HB3 LEU 26 2HB LEU 26 4.471 -4.049 -3.929
158 HG LEU 26 HG LEU 26 2.518 -2.499 -4.446
159 HD11 LEU 26 1HD1 LEU 26 1.906 -2.327 -1.978
160 HD12 LEU 26 2HD1 LEU 26 1.909 -0.833 -2.915
161 HD13 LEU 26 3HD1 LEU 26 3.259 -1.203 -1.842
162 HD21 LEU 26 3HD2 LEU 26 4.657 -1.850 -5.176
163 HD22 LEU 26 1HD2 LEU 26 5.210 -1.524 -3.533
164 HD23 LEU 26 2HD2 LEU 26 4.028 -0.458 -4.293
165 H ILE 27 H ILE 27 3.059 -5.466 -5.382
166 HA ILE 27 HA ILE 27 1.000 -4.182 -6.699
167 HB ILE 27 HB ILE 27 2.219 -6.859 -7.384
168 HG12 ILE 27 1HG1 ILE 27 2.890 -4.128 -8.486
169 HG13 ILE 27 2HG1 ILE 27 3.772 -4.876 -7.159
170 HG21 ILE 27 1HG2 ILE 27 0.076 -6.467 -8.524
171 HG22 ILE 27 2HG2 ILE 27 0.703 -4.943 -9.149
172 HG23 ILE 27 3HG2 ILE 27 1.437 -6.468 -9.645
173 HD11 ILE 27 3HD1 ILE 27 3.906 -6.853 -8.960
174 HD12 ILE 27 1HD1 ILE 27 3.823 -5.463 -10.042
175 HD13 ILE 27 2HD1 ILE 27 5.103 -5.565 -8.832
176 H VAL 28 H VAL 28 0.954 -7.243 -4.971
177 HA VAL 28 HA VAL 28 -1.662 -8.003 -5.842
178 HB VAL 28 HB VAL 28 -0.029 -8.973 -3.492
179 HG11 VAL 28 1HG1 VAL 28 -2.085 -10.736 -4.598
180 HG12 VAL 28 2HG1 VAL 28 -1.670 -10.388 -2.919
181 HG13 VAL 28 3HG1 VAL 28 -2.722 -9.291 -3.814
182 HG21 VAL 28 3HG2 VAL 28 0.265 -9.386 -6.269
183 HG22 VAL 28 1HG2 VAL 28 1.126 -10.182 -4.952
184 HG23 VAL 28 2HG2 VAL 28 -0.361 -10.886 -5.587
185 H HIS 29 H HIS 29 -0.343 -6.388 -2.991
186 HA HIS 29 HA HIS 29 -2.763 -6.312 -1.522
187 HB2 HIS 29 1HB HIS 29 -0.775 -5.985 -0.285
188 HB3 HIS 29 2HB HIS 29 -0.208 -4.722 -1.374
189 HD1 HIS 29 HD1 HIS 29 -2.324 -5.301 1.613
190 HD2 HIS 29 HD2 HIS 29 -1.423 -2.184 -0.982
191 HE1 HIS 29 HE1 HIS 29 -3.166 -3.219 2.745
192 H GLN 30 H GLN 30 -1.137 -3.879 -3.548
193 HA GLN 30 HA GLN 30 -2.785 -1.737 -3.292
194 HB2 GLN 30 1HB GLN 30 -1.440 -2.843 -5.749
195 HB3 GLN 30 2HB GLN 30 -2.329 -1.326 -5.781
196 HG2 GLN 30 1HG GLN 30 -0.842 -0.535 -3.919
197 HG3 GLN 30 2HG GLN 30 0.128 -1.983 -4.183
198 HE21 GLN 30 1HE2 GLN 30 1.371 0.358 -4.422
199 HE22 GLN 30 2HE2 GLN 30 1.698 0.729 -6.077
200 H ARG 31 H ARG 31 -3.603 -4.795 -4.624
201 HA ARG 31 HA ARG 31 -5.743 -4.072 -6.297
202 HB2 ARG 31 1HB ARG 31 -5.390 -6.606 -4.685
203 HB3 ARG 31 2HB ARG 31 -6.484 -6.397 -6.046
204 HG2 ARG 31 1HG ARG 31 -4.528 -5.961 -7.497
205 HG3 ARG 31 2HG ARG 31 -3.477 -6.306 -6.122
206 HD2 ARG 31 1HD ARG 31 -3.972 -8.550 -6.134
207 HD3 ARG 31 2HD ARG 31 -5.548 -8.306 -6.885
208 HE ARG 31 HE ARG 31 -3.144 -8.890 -8.221
209 HH11 ARG 31 1HH1 ARG 31 -5.945 -6.840 -8.486
210 HH12 ARG 31 2HH1 ARG 31 -5.878 -6.751 -10.215
211 HH21 ARG 31 1HH2 ARG 31 -3.045 -8.781 -10.497
212 HH22 ARG 31 2HH2 ARG 31 -4.229 -7.857 -11.358
213 H ILE 32 H ILE 32 -5.593 -4.770 -2.836
214 HA ILE 32 HA ILE 32 -8.340 -4.777 -2.302
215 HB ILE 32 HB ILE 32 -7.799 -4.457 -0.004
216 HG12 ILE 32 1HG1 ILE 32 -4.932 -3.848 -0.469
217 HG13 ILE 32 2HG1 ILE 32 -6.072 -2.547 -0.790
218 HG21 ILE 32 1HG2 ILE 32 -6.031 -6.164 -1.639
219 HG22 ILE 32 2HG2 ILE 32 -5.559 -5.930 0.043
220 HG23 ILE 32 3HG2 ILE 32 -7.146 -6.595 -0.343
221 HD11 ILE 32 3HD1 ILE 32 -6.997 -3.049 1.543
222 HD12 ILE 32 1HD1 ILE 32 -5.498 -3.945 1.789
223 HD13 ILE 32 2HD1 ILE 32 -5.445 -2.222 1.419
224 H HIS 33 H HIS 33 -6.441 -2.270 -3.431
225 HA HIS 33 HA HIS 33 -8.241 -0.227 -2.312
226 HB2 HIS 33 1HB HIS 33 -5.453 0.023 -3.451
227 HB3 HIS 33 2HB HIS 33 -6.462 1.400 -3.016
228 HD1 HIS 33 HD1 HIS 33 -7.315 1.231 -0.355
229 HD2 HIS 33 HD2 HIS 33 -3.817 -0.728 -1.444
230 HE1 HIS 33 HE1 HIS 33 -6.062 0.850 1.792
231 H THR 34 H THR 34 -6.644 -1.281 -5.297
232 HA THR 34 HA THR 34 -8.022 0.566 -6.973
233 HB THR 34 HB THR 34 -7.260 -1.090 -8.812
234 HG1 THR 34 HG1 THR 34 -5.604 -2.029 -6.701
235 HG21 THR 34 3HG2 THR 34 -6.144 1.054 -8.226
236 HG22 THR 34 1HG2 THR 34 -5.023 -0.187 -8.783
237 HG23 THR 34 2HG2 THR 34 -5.151 0.178 -7.062
238 H GLY 35 H GLY 35 -10.233 0.361 -6.565
239 HA2 GLY 35 1HA GLY 35 -11.660 -1.409 -8.192
240 HA3 GLY 35 2HA GLY 35 -11.648 -2.079 -6.567
241 H GLU 36 H GLU 36 -12.345 0.945 -8.309
242 HA GLU 36 HA GLU 36 -14.735 1.260 -6.646
243 HB2 GLU 36 1HB GLU 36 -12.813 2.638 -5.732
244 HB3 GLU 36 2HB GLU 36 -12.882 3.570 -7.220
245 HG2 GLU 36 1HG GLU 36 -14.076 4.597 -5.299
246 HG3 GLU 36 2HG GLU 36 -15.074 4.346 -6.730
247 H LYS 37 H LYS 37 -16.301 2.776 -7.557
248 HA LYS 37 HA LYS 37 -16.665 2.358 -10.333
249 HB2 LYS 37 1HB LYS 37 -18.587 2.578 -8.903
250 HB3 LYS 37 2HB LYS 37 -18.074 4.175 -8.375
251 HG2 LYS 37 1HG LYS 37 -18.363 4.966 -10.720
252 HG3 LYS 37 2HG LYS 37 -19.053 3.389 -11.109
253 HD2 LYS 37 1HD LYS 37 -20.951 4.617 -10.663
254 HD3 LYS 37 2HD LYS 37 -20.624 3.901 -9.083
255 HE2 LYS 37 1HE LYS 37 -19.275 6.052 -8.638
256 HE3 LYS 37 2HE LYS 37 -20.150 6.710 -10.019
257 HZ1 LYS 37 3HZ LYS 37 -21.029 6.733 -7.466
258 HZ2 LYS 37 1HZ LYS 37 -21.840 5.390 -8.101
259 HZ3 LYS 37 2HZ LYS 37 -22.012 6.906 -8.832
260 H LEU 38 H LEU 38 -15.968 3.488 -12.026
261 HA LEU 38 HA LEU 38 -14.823 6.157 -11.537
262 HB2 LEU 38 1HB LEU 38 -13.130 4.635 -12.251
263 HB3 LEU 38 2HB LEU 38 -14.136 4.052 -13.575
264 HG LEU 38 HG LEU 38 -13.941 6.304 -14.627
265 HD11 LEU 38 1HD1 LEU 38 -13.389 7.463 -12.463
266 HD12 LEU 38 2HD1 LEU 38 -12.376 7.897 -13.839
267 HD13 LEU 38 3HD1 LEU 38 -11.764 6.792 -12.609
268 HD21 LEU 38 3HD2 LEU 38 -11.422 4.743 -14.081
269 HD22 LEU 38 1HD2 LEU 38 -11.559 6.002 -15.309
270 HD23 LEU 38 2HD2 LEU 38 -12.541 4.542 -15.431
271 H SER 39 H SER 39 -15.513 7.868 -12.707
272 HA SER 39 HA SER 39 -17.094 9.090 -13.838
273 HB2 SER 39 1HB SER 39 -15.407 8.529 -15.572
274 HB3 SER 39 2HB SER 39 -16.358 7.110 -16.008
275 HG SER 39 HG SER 39 -17.641 8.347 -17.114
276 H GLY 40 H GLY 40 -18.400 7.305 -12.239
277 HA2 GLY 40 1HA GLY 40 -20.380 5.908 -13.864
278 HA3 GLY 40 2HA GLY 40 -20.234 5.840 -12.114
279 HA PRO 41 HA PRO 41 -23.716 8.727 -13.516
280 HB2 PRO 41 1HB PRO 41 -25.793 7.218 -12.634
281 HB3 PRO 41 2HB PRO 41 -25.129 7.078 -14.266
282 HG2 PRO 41 1HG PRO 41 -24.622 5.367 -11.862
283 HG3 PRO 41 2HG PRO 41 -24.898 4.879 -13.545
284 HD2 PRO 41 1HD PRO 41 -22.426 4.987 -12.445
285 HD3 PRO 41 2HD PRO 41 -22.722 5.326 -14.162
286 H SER 42 H SER 42 -25.694 9.281 -11.943
287 HA SER 42 HA SER 42 -24.456 10.054 -9.456
288 HB2 SER 42 1HB SER 42 -26.077 11.452 -10.923
289 HB3 SER 42 2HB SER 42 -27.350 10.519 -10.136
290 HG SER 42 HG SER 42 -25.356 11.833 -8.634
291 H SER 43 H SER 43 -27.541 8.427 -10.216
292 HA SER 43 HA SER 43 -28.260 7.598 -7.718
293 HB2 SER 43 1HB SER 43 -29.386 5.655 -8.848
294 HB3 SER 43 2HB SER 43 -29.726 7.218 -9.590
295 HG SER 43 HG SER 43 -28.405 6.721 -11.264
296 H GLY 44 H GLY 44 -27.163 6.552 -6.203
297 HA2 GLY 44 1HA GLY 44 -26.083 4.730 -5.232
298 HA3 GLY 44 2HA GLY 44 -25.844 4.049 -6.834
Start of MODEL 17
1 H1 GLY 1 H GLY 1 12.633 11.528 2.216
2 HA2 GLY 1 1HA GLY 1 14.599 12.954 1.874
3 HA3 GLY 1 2HA GLY 1 14.859 12.881 3.611
4 H SER 2 H SER 2 15.572 10.886 4.544
5 HA SER 2 HA SER 2 17.554 9.590 2.990
6 HB2 SER 2 1HB SER 2 16.403 8.840 5.688
7 HB3 SER 2 2HB SER 2 17.866 8.151 4.983
8 HG SER 2 HG SER 2 17.421 10.854 5.720
9 H SER 3 H SER 3 17.250 8.073 1.515
10 HA SER 3 HA SER 3 15.211 6.014 1.988
11 HB2 SER 3 1HB SER 3 14.491 6.110 -0.346
12 HB3 SER 3 2HB SER 3 14.266 7.682 0.422
13 HG SER 3 HG SER 3 15.406 8.400 -1.186
14 H GLY 4 H GLY 4 15.977 4.017 1.736
15 HA2 GLY 4 1HA GLY 4 18.466 3.684 0.176
16 HA3 GLY 4 2HA GLY 4 18.158 2.822 1.676
17 H SER 5 H SER 5 17.997 2.666 -1.661
18 HA SER 5 HA SER 5 15.902 0.621 -1.672
19 HB2 SER 5 1HB SER 5 17.369 1.938 -3.971
20 HB3 SER 5 2HB SER 5 16.054 0.774 -4.133
21 HG SER 5 HG SER 5 15.967 3.447 -3.552
22 H SER 6 H SER 6 18.299 -0.036 -0.360
23 HA SER 6 HA SER 6 19.960 -1.584 -2.129
24 HB2 SER 6 1HB SER 6 19.884 -1.674 0.893
25 HB3 SER 6 2HB SER 6 21.203 -2.190 -0.158
26 HG SER 6 HG SER 6 21.198 0.038 0.908
27 H GLY 7 H GLY 7 17.696 -2.372 0.511
28 HA2 GLY 7 1HA GLY 7 16.384 -4.454 -0.727
29 HA3 GLY 7 2HA GLY 7 17.802 -5.183 0.012
30 H GLU 8 H GLU 8 15.927 -2.474 1.280
31 HA GLU 8 HA GLU 8 14.981 -4.219 3.453
32 HB2 GLU 8 1HB GLU 8 15.370 -2.368 5.044
33 HB3 GLU 8 2HB GLU 8 16.859 -2.950 4.312
34 HG2 GLU 8 1HG GLU 8 16.503 -1.020 2.629
35 HG3 GLU 8 2HG GLU 8 15.410 -0.379 3.855
36 H LYS 9 H LYS 9 12.943 -4.332 2.452
37 HA LYS 9 HA LYS 9 10.857 -3.637 1.811
38 HB2 LYS 9 1HB LYS 9 9.998 -1.839 3.584
39 HB3 LYS 9 2HB LYS 9 10.191 -3.539 3.990
40 HG2 LYS 9 1HG LYS 9 12.486 -2.974 4.834
41 HG3 LYS 9 2HG LYS 9 12.061 -1.273 4.627
42 HD2 LYS 9 1HD LYS 9 9.941 -2.024 6.036
43 HD3 LYS 9 2HD LYS 9 11.065 -3.262 6.600
44 HE2 LYS 9 1HE LYS 9 11.504 -1.632 8.132
45 HE3 LYS 9 2HE LYS 9 12.658 -1.169 6.882
46 HZ1 LYS 9 3HZ LYS 9 10.359 0.240 7.850
47 HZ2 LYS 9 1HZ LYS 9 10.376 0.119 6.163
48 HZ3 LYS 9 2HZ LYS 9 11.687 0.815 6.973
49 HA PRO 10 HA PRO 10 12.545 0.378 -0.029
50 HB2 PRO 10 1HB PRO 10 12.873 -0.541 -2.563
51 HB3 PRO 10 2HB PRO 10 14.144 -0.627 -1.338
52 HG2 PRO 10 1HG PRO 10 12.247 -2.755 -2.252
53 HG3 PRO 10 2HG PRO 10 13.984 -2.874 -1.915
54 HD2 PRO 10 1HD PRO 10 12.098 -3.694 -0.153
55 HD3 PRO 10 2HD PRO 10 13.659 -3.025 0.362
56 H TYR 11 H TYR 11 10.060 -1.913 -0.636
57 HA TYR 11 HA TYR 11 8.597 -0.014 -2.335
58 HB2 TYR 11 1HB TYR 11 7.911 -2.903 -1.773
59 HB3 TYR 11 2HB TYR 11 7.199 -1.861 -3.000
60 HD1 TYR 11 HD2 TYR 11 10.206 -3.760 -2.050
61 HD2 TYR 11 HD1 TYR 11 8.302 -1.480 -5.096
62 HE1 TYR 11 HE2 TYR 11 11.887 -4.532 -3.670
63 HE2 TYR 11 HE1 TYR 11 9.977 -2.246 -6.725
64 HH TYR 11 HH TYR 11 12.322 -3.112 -6.685
65 H GLY 12 H GLY 12 6.369 0.432 -1.884
66 HA2 GLY 12 1HA GLY 12 5.209 -0.369 0.623
67 HA3 GLY 12 2HA GLY 12 5.775 1.295 0.634
68 H CYS 13 H CYS 13 3.103 0.634 1.023
69 HA CYS 13 HA CYS 13 1.749 1.153 -1.508
70 HB2 CYS 13 1HB CYS 13 0.757 -0.552 -0.110
71 HB3 CYS 13 2HB CYS 13 0.694 0.552 1.260
72 H ASN 14 H ASN 14 1.084 3.105 -2.118
73 HA ASN 14 HA ASN 14 1.354 5.322 -0.229
74 HB2 ASN 14 1HB ASN 14 2.323 5.193 -2.685
75 HB3 ASN 14 2HB ASN 14 0.704 5.734 -3.118
76 HD21 ASN 14 1HD2 ASN 14 3.365 6.490 -0.907
77 HD22 ASN 14 2HD2 ASN 14 3.170 8.205 -0.984
78 H GLU 15 H GLU 15 -0.894 3.469 -0.091
79 HA GLU 15 HA GLU 15 -3.086 5.357 -0.654
80 HB2 GLU 15 1HB GLU 15 -3.288 2.343 -0.569
81 HB3 GLU 15 2HB GLU 15 -4.576 3.469 -0.972
82 HG2 GLU 15 1HG GLU 15 -2.048 3.328 -2.574
83 HG3 GLU 15 2HG GLU 15 -3.412 2.255 -2.885
84 H CYS 16 H CYS 16 -1.938 2.791 1.506
85 HA CYS 16 HA CYS 16 -3.614 3.946 3.638
86 HB2 CYS 16 1HB CYS 16 -3.749 1.769 4.654
87 HB3 CYS 16 2HB CYS 16 -4.209 1.612 2.962
88 H GLY 17 H GLY 17 -0.493 2.436 2.901
89 HA2 GLY 17 1HA GLY 17 1.436 3.734 3.845
90 HA3 GLY 17 2HA GLY 17 0.573 3.655 5.373
91 H LYS 18 H LYS 18 0.416 0.892 3.331
92 HA LYS 18 HA LYS 18 1.742 -0.717 5.304
93 HB2 LYS 18 1HB LYS 18 -0.244 -1.273 3.627
94 HB3 LYS 18 2HB LYS 18 1.086 -1.793 2.602
95 HG2 LYS 18 1HG LYS 18 0.507 -3.738 3.690
96 HG3 LYS 18 2HG LYS 18 1.842 -3.140 4.678
97 HD2 LYS 18 1HD LYS 18 -0.147 -1.942 5.964
98 HD3 LYS 18 2HD LYS 18 -1.063 -3.290 5.287
99 HE2 LYS 18 1HE LYS 18 1.447 -3.534 6.942
100 HE3 LYS 18 2HE LYS 18 -0.194 -3.784 7.535
101 HZ1 LYS 18 3HZ LYS 18 1.110 -5.370 5.388
102 HZ2 LYS 18 1HZ LYS 18 -0.444 -5.624 6.007
103 HZ3 LYS 18 2HZ LYS 18 0.909 -5.873 6.991
104 H ASP 19 H ASP 19 3.500 -2.222 4.765
105 HA ASP 19 HA ASP 19 5.313 -1.209 2.687
106 HB2 ASP 19 1HB ASP 19 6.483 -2.133 5.272
107 HB3 ASP 19 2HB ASP 19 7.110 -0.967 4.110
108 H PHE 20 H PHE 20 6.459 -2.737 1.597
109 HA PHE 20 HA PHE 20 6.282 -5.516 2.533
110 HB2 PHE 20 1HB PHE 20 5.889 -4.739 -0.357
111 HB3 PHE 20 2HB PHE 20 5.644 -6.320 0.377
112 HD1 PHE 20 HD2 PHE 20 4.331 -2.866 0.237
113 HD2 PHE 20 HD1 PHE 20 3.578 -6.914 1.316
114 HE1 PHE 20 HE2 PHE 20 1.958 -2.325 0.596
115 HE2 PHE 20 HE1 PHE 20 1.203 -6.380 1.676
116 HZ PHE 20 HZ PHE 20 0.391 -4.083 1.317
117 H SER 21 H SER 21 7.944 -6.905 1.788
118 HA SER 21 HA SER 21 10.451 -5.543 1.375
119 HB2 SER 21 1HB SER 21 10.058 -8.531 1.360
120 HB3 SER 21 2HB SER 21 11.491 -7.617 1.827
121 HG SER 21 HG SER 21 10.020 -8.521 3.542
122 H SER 22 H SER 22 8.295 -7.609 -0.484
123 HA SER 22 HA SER 22 10.072 -7.342 -2.812
124 HB2 SER 22 1HB SER 22 8.030 -9.381 -2.009
125 HB3 SER 22 2HB SER 22 8.386 -9.147 -3.720
126 HG SER 22 HG SER 22 10.543 -9.635 -3.296
127 H LYS 23 H LYS 23 9.054 -6.971 -4.911
128 HA LYS 23 HA LYS 23 7.224 -4.782 -4.793
129 HB2 LYS 23 1HB LYS 23 8.906 -4.739 -6.492
130 HB3 LYS 23 2HB LYS 23 8.430 -6.323 -7.091
131 HG2 LYS 23 1HG LYS 23 7.468 -4.981 -8.662
132 HG3 LYS 23 2HG LYS 23 6.135 -5.120 -7.513
133 HD2 LYS 23 1HD LYS 23 8.084 -2.906 -7.138
134 HD3 LYS 23 2HD LYS 23 6.924 -2.776 -8.462
135 HE2 LYS 23 1HE LYS 23 5.928 -3.554 -5.767
136 HE3 LYS 23 2HE LYS 23 6.373 -1.871 -6.043
137 HZ1 LYS 23 3HZ LYS 23 4.620 -1.538 -7.387
138 HZ2 LYS 23 1HZ LYS 23 3.964 -2.869 -6.573
139 HZ3 LYS 23 2HZ LYS 23 4.699 -3.078 -8.082
140 H SER 24 H SER 24 7.006 -8.146 -5.880
141 HA SER 24 HA SER 24 4.494 -8.158 -7.005
142 HB2 SER 24 1HB SER 24 5.661 -10.334 -5.251
143 HB3 SER 24 2HB SER 24 4.389 -10.536 -6.456
144 HG SER 24 HG SER 24 7.085 -10.455 -6.784
145 H TYR 25 H TYR 25 5.175 -9.076 -3.623
146 HA TYR 25 HA TYR 25 2.712 -9.374 -2.601
147 HB2 TYR 25 1HB TYR 25 5.085 -7.963 -1.397
148 HB3 TYR 25 2HB TYR 25 3.607 -8.234 -0.481
149 HD1 TYR 25 HD1 TYR 25 2.826 -10.926 -1.344
150 HD2 TYR 25 HD2 TYR 25 6.678 -9.362 -0.440
151 HE1 TYR 25 HE1 TYR 25 3.599 -13.186 -0.758
152 HE2 TYR 25 HE2 TYR 25 7.463 -11.618 0.147
153 HH TYR 25 HH TYR 25 5.451 -14.454 -0.364
154 H LEU 26 H LEU 26 4.279 -6.226 -3.103
155 HA LEU 26 HA LEU 26 2.195 -4.636 -2.103
156 HB2 LEU 26 1HB LEU 26 4.359 -3.690 -2.433
157 HB3 LEU 26 2HB LEU 26 4.329 -4.080 -4.152
158 HG LEU 26 HG LEU 26 2.590 -2.403 -4.509
159 HD11 LEU 26 1HD1 LEU 26 1.699 -1.055 -2.827
160 HD12 LEU 26 2HD1 LEU 26 2.945 -1.514 -1.668
161 HD13 LEU 26 3HD1 LEU 26 1.696 -2.672 -2.123
162 HD21 LEU 26 3HD2 LEU 26 4.532 -1.330 -4.930
163 HD22 LEU 26 1HD2 LEU 26 5.232 -1.751 -3.366
164 HD23 LEU 26 2HD2 LEU 26 4.083 -0.418 -3.487
165 H ILE 27 H ILE 27 3.022 -5.263 -5.520
166 HA ILE 27 HA ILE 27 0.925 -4.074 -6.774
167 HB ILE 27 HB ILE 27 2.132 -6.751 -7.480
168 HG12 ILE 27 1HG1 ILE 27 2.740 -4.043 -8.666
169 HG13 ILE 27 2HG1 ILE 27 3.642 -4.705 -7.308
170 HG21 ILE 27 1HG2 ILE 27 -0.074 -6.330 -8.545
171 HG22 ILE 27 2HG2 ILE 27 0.600 -4.868 -9.264
172 HG23 ILE 27 3HG2 ILE 27 1.258 -6.447 -9.694
173 HD11 ILE 27 3HD1 ILE 27 4.792 -6.121 -8.605
174 HD12 ILE 27 1HD1 ILE 27 3.398 -6.492 -9.619
175 HD13 ILE 27 2HD1 ILE 27 4.325 -5.017 -9.897
176 H VAL 28 H VAL 28 0.900 -7.216 -5.164
177 HA VAL 28 HA VAL 28 -1.746 -7.914 -5.956
178 HB VAL 28 HB VAL 28 -0.064 -8.937 -3.664
179 HG11 VAL 28 1HG1 VAL 28 -2.448 -10.316 -4.862
180 HG12 VAL 28 2HG1 VAL 28 -1.606 -10.678 -3.354
181 HG13 VAL 28 3HG1 VAL 28 -2.595 -9.223 -3.486
182 HG21 VAL 28 3HG2 VAL 28 0.726 -10.584 -5.063
183 HG22 VAL 28 1HG2 VAL 28 -0.647 -10.459 -6.162
184 HG23 VAL 28 2HG2 VAL 28 0.611 -9.223 -6.178
185 H HIS 29 H HIS 29 -0.355 -6.378 -3.092
186 HA HIS 29 HA HIS 29 -2.733 -6.306 -1.568
187 HB2 HIS 29 1HB HIS 29 -0.652 -5.998 -0.435
188 HB3 HIS 29 2HB HIS 29 -0.216 -4.642 -1.470
189 HD1 HIS 29 HD1 HIS 29 -2.400 -5.544 1.441
190 HD2 HIS 29 HD2 HIS 29 -1.273 -2.181 -0.721
191 HE1 HIS 29 HE1 HIS 29 -3.223 -3.579 2.777
192 H GLN 30 H GLN 30 -1.131 -3.758 -3.481
193 HA GLN 30 HA GLN 30 -2.845 -1.681 -3.179
194 HB2 GLN 30 1HB GLN 30 -1.407 -2.643 -5.643
195 HB3 GLN 30 2HB GLN 30 -2.352 -1.160 -5.647
196 HG2 GLN 30 1HG GLN 30 -0.934 -0.439 -3.664
197 HG3 GLN 30 2HG GLN 30 0.123 -1.787 -4.078
198 HE21 GLN 30 1HE2 GLN 30 1.507 0.284 -4.196
199 HE22 GLN 30 2HE2 GLN 30 1.667 0.975 -5.771
200 H ARG 31 H ARG 31 -3.541 -4.693 -4.687
201 HA ARG 31 HA ARG 31 -5.669 -3.953 -6.363
202 HB2 ARG 31 1HB ARG 31 -5.239 -6.545 -4.867
203 HB3 ARG 31 2HB ARG 31 -6.364 -6.314 -6.199
204 HG2 ARG 31 1HG ARG 31 -4.468 -5.766 -7.671
205 HG3 ARG 31 2HG ARG 31 -3.365 -6.087 -6.331
206 HD2 ARG 31 1HD ARG 31 -4.092 -8.388 -6.232
207 HD3 ARG 31 2HD ARG 31 -5.314 -8.088 -7.467
208 HE ARG 31 HE ARG 31 -2.590 -7.537 -8.267
209 HH11 ARG 31 1HH1 ARG 31 -5.174 -9.865 -8.140
210 HH12 ARG 31 2HH1 ARG 31 -4.546 -10.828 -9.436
211 HH21 ARG 31 1HH2 ARG 31 -1.752 -8.796 -9.975
212 HH22 ARG 31 2HH2 ARG 31 -2.599 -10.220 -10.478
213 H ILE 32 H ILE 32 -5.593 -4.870 -2.944
214 HA ILE 32 HA ILE 32 -8.357 -4.924 -2.494
215 HB ILE 32 HB ILE 32 -7.884 -4.781 -0.163
216 HG12 ILE 32 1HG1 ILE 32 -5.006 -4.133 -0.510
217 HG13 ILE 32 2HG1 ILE 32 -6.148 -2.814 -0.738
218 HG21 ILE 32 1HG2 ILE 32 -6.332 -6.467 -1.911
219 HG22 ILE 32 2HG2 ILE 32 -5.485 -6.180 -0.392
220 HG23 ILE 32 3HG2 ILE 32 -7.114 -6.855 -0.380
221 HD11 ILE 32 3HD1 ILE 32 -6.940 -2.986 1.467
222 HD12 ILE 32 1HD1 ILE 32 -6.164 -4.552 1.706
223 HD13 ILE 32 2HD1 ILE 32 -5.183 -3.092 1.574
224 H HIS 33 H HIS 33 -6.435 -2.338 -3.375
225 HA HIS 33 HA HIS 33 -8.250 -0.383 -2.134
226 HB2 HIS 33 1HB HIS 33 -5.454 -0.067 -3.235
227 HB3 HIS 33 2HB HIS 33 -6.463 1.288 -2.738
228 HD1 HIS 33 HD1 HIS 33 -7.387 0.905 -0.096
229 HD2 HIS 33 HD2 HIS 33 -3.809 -0.860 -1.256
230 HE1 HIS 33 HE1 HIS 33 -6.152 0.421 2.040
231 H THR 34 H THR 34 -6.573 -1.115 -5.183
232 HA THR 34 HA THR 34 -7.892 0.819 -6.744
233 HB THR 34 HB THR 34 -7.292 -0.850 -8.663
234 HG1 THR 34 HG1 THR 34 -5.363 -2.103 -7.671
235 HG21 THR 34 3HG2 THR 34 -4.833 -0.200 -8.387
236 HG22 THR 34 1HG2 THR 34 -5.335 0.600 -6.898
237 HG23 THR 34 2HG2 THR 34 -6.011 1.112 -8.444
238 H GLY 35 H GLY 35 -10.021 0.936 -7.036
239 HA2 GLY 35 1HA GLY 35 -11.661 -1.463 -6.941
240 HA3 GLY 35 2HA GLY 35 -12.239 0.194 -7.034
241 H GLU 36 H GLU 36 -11.073 -2.553 -8.852
242 HA GLU 36 HA GLU 36 -12.270 -1.379 -11.262
243 HB2 GLU 36 1HB GLU 36 -9.669 -1.305 -11.138
244 HB3 GLU 36 2HB GLU 36 -9.773 -3.030 -11.461
245 HG2 GLU 36 1HG GLU 36 -10.908 -2.624 -13.541
246 HG3 GLU 36 2HG GLU 36 -10.981 -0.895 -13.203
247 H LYS 37 H LYS 37 -14.071 -2.738 -10.680
248 HA LYS 37 HA LYS 37 -15.357 -4.609 -10.835
249 HB2 LYS 37 1HB LYS 37 -13.210 -5.198 -12.861
250 HB3 LYS 37 2HB LYS 37 -14.539 -6.314 -12.576
251 HG2 LYS 37 1HG LYS 37 -16.098 -4.916 -13.499
252 HG3 LYS 37 2HG LYS 37 -15.165 -3.461 -13.141
253 HD2 LYS 37 1HD LYS 37 -15.062 -3.755 -15.489
254 HD3 LYS 37 2HD LYS 37 -13.493 -4.263 -14.859
255 HE2 LYS 37 1HE LYS 37 -13.996 -6.540 -15.148
256 HE3 LYS 37 2HE LYS 37 -15.720 -6.222 -15.335
257 HZ1 LYS 37 3HZ LYS 37 -15.388 -5.348 -17.470
258 HZ2 LYS 37 1HZ LYS 37 -14.432 -6.744 -17.424
259 HZ3 LYS 37 2HZ LYS 37 -13.713 -5.221 -17.267
260 H LEU 38 H LEU 38 -13.623 -4.559 -8.656
261 HA LEU 38 HA LEU 38 -12.795 -7.375 -8.415
262 HB2 LEU 38 1HB LEU 38 -10.942 -5.863 -8.136
263 HB3 LEU 38 2HB LEU 38 -11.841 -4.923 -6.947
264 HG LEU 38 HG LEU 38 -11.845 -7.192 -5.623
265 HD11 LEU 38 1HD1 LEU 38 -9.351 -8.052 -6.154
266 HD12 LEU 38 2HD1 LEU 38 -9.886 -7.623 -7.779
267 HD13 LEU 38 3HD1 LEU 38 -10.807 -8.787 -6.827
268 HD21 LEU 38 3HD2 LEU 38 -10.818 -5.078 -4.901
269 HD22 LEU 38 1HD2 LEU 38 -9.380 -5.467 -5.845
270 HD23 LEU 38 2HD2 LEU 38 -9.834 -6.477 -4.471
271 H SER 39 H SER 39 -14.008 -8.622 -7.167
272 HA SER 39 HA SER 39 -16.087 -7.478 -5.529
273 HB2 SER 39 1HB SER 39 -16.727 -9.836 -5.117
274 HB3 SER 39 2HB SER 39 -16.563 -9.484 -6.837
275 HG SER 39 HG SER 39 -14.300 -10.419 -5.516
276 H GLY 40 H GLY 40 -16.360 -7.814 -3.285
277 HA2 GLY 40 1HA GLY 40 -14.274 -9.020 -1.713
278 HA3 GLY 40 2HA GLY 40 -14.257 -7.264 -1.641
279 HA PRO 41 HA PRO 41 -17.069 -8.837 1.696
280 HB2 PRO 41 1HB PRO 41 -16.042 -7.244 3.639
281 HB3 PRO 41 2HB PRO 41 -15.368 -8.829 3.241
282 HG2 PRO 41 1HG PRO 41 -14.441 -6.110 2.399
283 HG3 PRO 41 2HG PRO 41 -13.483 -7.500 2.942
284 HD2 PRO 41 1HD PRO 41 -13.755 -6.851 0.328
285 HD3 PRO 41 2HD PRO 41 -13.574 -8.528 0.882
286 H SER 42 H SER 42 -18.713 -7.733 0.440
287 HA SER 42 HA SER 42 -20.276 -6.121 0.053
288 HB2 SER 42 1HB SER 42 -20.636 -6.548 2.487
289 HB3 SER 42 2HB SER 42 -19.547 -5.208 2.846
290 HG SER 42 HG SER 42 -21.306 -4.062 2.723
291 H SER 43 H SER 43 -17.782 -5.512 -0.999
292 HA SER 43 HA SER 43 -16.950 -2.869 -0.319
293 HB2 SER 43 1HB SER 43 -15.324 -4.311 -1.318
294 HB3 SER 43 2HB SER 43 -16.373 -4.644 -2.696
295 HG SER 43 HG SER 43 -14.861 -3.119 -3.310
296 H GLY 44 H GLY 44 -18.012 -1.063 -0.764
297 HA2 GLY 44 1HA GLY 44 -19.501 -0.902 -3.304
298 HA3 GLY 44 2HA GLY 44 -20.244 -0.379 -1.800
Start of MODEL 18
1 H1 GLY 1 H GLY 1 29.543 8.883 5.980
2 HA2 GLY 1 1HA GLY 1 30.539 7.432 3.644
3 HA3 GLY 1 2HA GLY 1 31.099 6.896 5.220
4 H SER 2 H SER 2 27.964 7.878 3.828
5 HA SER 2 HA SER 2 26.804 5.448 5.025
6 HB2 SER 2 1HB SER 2 24.651 6.681 5.065
7 HB3 SER 2 2HB SER 2 25.895 7.475 6.031
8 HG SER 2 HG SER 2 24.967 8.195 3.454
9 H SER 3 H SER 3 26.258 3.939 3.612
10 HA SER 3 HA SER 3 24.785 4.535 1.235
11 HB2 SER 3 1HB SER 3 27.706 3.942 1.062
12 HB3 SER 3 2HB SER 3 26.642 3.239 -0.156
13 HG SER 3 HG SER 3 26.370 5.957 0.445
14 H GLY 4 H GLY 4 24.445 2.468 -0.085
15 HA2 GLY 4 1HA GLY 4 24.947 -0.083 0.534
16 HA3 GLY 4 2HA GLY 4 23.818 0.351 1.808
17 H SER 5 H SER 5 23.852 -1.359 -0.819
18 HA SER 5 HA SER 5 21.219 -0.422 -1.758
19 HB2 SER 5 1HB SER 5 23.463 -1.720 -3.311
20 HB3 SER 5 2HB SER 5 21.820 -1.576 -3.935
21 HG SER 5 HG SER 5 23.751 0.388 -3.519
22 H SER 6 H SER 6 20.329 -1.753 -0.044
23 HA SER 6 HA SER 6 20.326 -4.618 -0.739
24 HB2 SER 6 1HB SER 6 20.174 -3.276 1.960
25 HB3 SER 6 2HB SER 6 19.689 -4.953 1.714
26 HG SER 6 HG SER 6 21.914 -5.072 0.676
27 H GLY 7 H GLY 7 18.291 -5.752 0.004
28 HA2 GLY 7 1HA GLY 7 16.017 -4.207 -0.953
29 HA3 GLY 7 2HA GLY 7 16.058 -5.943 -0.678
30 H GLU 8 H GLU 8 16.408 -2.953 1.241
31 HA GLU 8 HA GLU 8 15.142 -4.239 3.510
32 HB2 GLU 8 1HB GLU 8 16.180 -1.422 3.153
33 HB3 GLU 8 2HB GLU 8 15.577 -2.091 4.662
34 HG2 GLU 8 1HG GLU 8 18.083 -2.762 3.178
35 HG3 GLU 8 2HG GLU 8 17.884 -2.252 4.854
36 H LYS 9 H LYS 9 13.110 -4.562 2.290
37 HA LYS 9 HA LYS 9 11.003 -3.965 1.596
38 HB2 LYS 9 1HB LYS 9 9.735 -2.783 3.342
39 HB3 LYS 9 2HB LYS 9 10.761 -4.040 4.021
40 HG2 LYS 9 1HG LYS 9 12.258 -2.497 4.926
41 HG3 LYS 9 2HG LYS 9 11.667 -1.187 3.901
42 HD2 LYS 9 1HD LYS 9 9.666 -0.990 5.140
43 HD3 LYS 9 2HD LYS 9 9.937 -2.527 5.965
44 HE2 LYS 9 1HE LYS 9 11.979 -0.391 6.280
45 HE3 LYS 9 2HE LYS 9 10.444 -0.198 7.125
46 HZ1 LYS 9 3HZ LYS 9 12.014 -2.695 7.320
47 HZ2 LYS 9 1HZ LYS 9 10.795 -2.134 8.350
48 HZ3 LYS 9 2HZ LYS 9 12.310 -1.382 8.345
49 HA PRO 10 HA PRO 10 12.453 0.232 -0.016
50 HB2 PRO 10 1HB PRO 10 12.848 -0.535 -2.590
51 HB3 PRO 10 2HB PRO 10 14.115 -0.611 -1.359
52 HG2 PRO 10 1HG PRO 10 12.350 -2.794 -2.397
53 HG3 PRO 10 2HG PRO 10 14.088 -2.831 -2.051
54 HD2 PRO 10 1HD PRO 10 12.243 -3.847 -0.350
55 HD3 PRO 10 2HD PRO 10 13.760 -3.116 0.213
56 H TYR 11 H TYR 11 10.115 -2.170 -0.779
57 HA TYR 11 HA TYR 11 8.578 -0.330 -2.459
58 HB2 TYR 11 1HB TYR 11 7.955 -3.211 -1.794
59 HB3 TYR 11 2HB TYR 11 7.216 -2.228 -3.054
60 HD1 TYR 11 HD2 TYR 11 10.373 -3.867 -2.019
61 HD2 TYR 11 HD1 TYR 11 8.197 -2.060 -5.198
62 HE1 TYR 11 HE2 TYR 11 12.064 -4.658 -3.619
63 HE2 TYR 11 HE1 TYR 11 9.882 -2.847 -6.807
64 HH TYR 11 HH TYR 11 11.618 -4.334 -7.075
65 H GLY 12 H GLY 12 6.601 0.476 -1.887
66 HA2 GLY 12 1HA GLY 12 5.335 -0.403 0.583
67 HA3 GLY 12 2HA GLY 12 5.946 1.245 0.581
68 H CYS 13 H CYS 13 3.304 0.851 1.024
69 HA CYS 13 HA CYS 13 2.037 1.599 -1.529
70 HB2 CYS 13 1HB CYS 13 1.190 -0.506 -0.479
71 HB3 CYS 13 2HB CYS 13 0.685 0.442 0.916
72 H ASN 14 H ASN 14 1.250 3.593 -1.707
73 HA ASN 14 HA ASN 14 1.369 5.361 0.592
74 HB2 ASN 14 1HB ASN 14 0.951 5.785 -2.358
75 HB3 ASN 14 2HB ASN 14 0.671 7.083 -1.202
76 HD21 ASN 14 1HD2 ASN 14 2.663 6.794 -3.345
77 HD22 ASN 14 2HD2 ASN 14 4.199 6.996 -2.580
78 H GLU 15 H GLU 15 -1.019 3.858 -1.478
79 HA GLU 15 HA GLU 15 -3.278 5.326 -1.013
80 HB2 GLU 15 1HB GLU 15 -2.791 2.408 -1.410
81 HB3 GLU 15 2HB GLU 15 -4.405 2.930 -0.946
82 HG2 GLU 15 1HG GLU 15 -3.020 4.240 -3.241
83 HG3 GLU 15 2HG GLU 15 -3.795 2.671 -3.452
84 H CYS 16 H CYS 16 -2.049 2.693 1.048
85 HA CYS 16 HA CYS 16 -3.767 3.700 3.217
86 HB2 CYS 16 1HB CYS 16 -3.653 1.473 4.192
87 HB3 CYS 16 2HB CYS 16 -4.211 1.368 2.526
88 H GLY 17 H GLY 17 -0.542 2.369 2.534
89 HA2 GLY 17 1HA GLY 17 1.353 3.668 3.439
90 HA3 GLY 17 2HA GLY 17 0.429 3.806 4.927
91 H LYS 18 H LYS 18 0.798 0.915 2.938
92 HA LYS 18 HA LYS 18 1.924 -0.458 5.267
93 HB2 LYS 18 1HB LYS 18 -0.118 -1.327 3.999
94 HB3 LYS 18 2HB LYS 18 0.996 -1.741 2.702
95 HG2 LYS 18 1HG LYS 18 2.133 -3.313 4.052
96 HG3 LYS 18 2HG LYS 18 1.338 -2.734 5.517
97 HD2 LYS 18 1HD LYS 18 -0.211 -3.902 3.221
98 HD3 LYS 18 2HD LYS 18 0.478 -4.912 4.494
99 HE2 LYS 18 1HE LYS 18 -0.743 -3.224 6.077
100 HE3 LYS 18 2HE LYS 18 -1.716 -2.893 4.645
101 HZ1 LYS 18 3HZ LYS 18 -2.775 -4.830 4.837
102 HZ2 LYS 18 1HZ LYS 18 -2.168 -4.885 6.416
103 HZ3 LYS 18 2HZ LYS 18 -1.361 -5.697 5.171
104 H ASP 19 H ASP 19 3.625 -2.101 4.852
105 HA ASP 19 HA ASP 19 5.457 -1.247 2.708
106 HB2 ASP 19 1HB ASP 19 6.563 -2.336 5.256
107 HB3 ASP 19 2HB ASP 19 7.267 -1.178 4.130
108 H PHE 20 H PHE 20 6.489 -2.825 1.573
109 HA PHE 20 HA PHE 20 6.091 -5.609 2.424
110 HB2 PHE 20 1HB PHE 20 5.793 -4.739 -0.449
111 HB3 PHE 20 2HB PHE 20 5.382 -6.297 0.260
112 HD1 PHE 20 HD2 PHE 20 4.476 -2.693 0.434
113 HD2 PHE 20 HD1 PHE 20 3.204 -6.729 0.892
114 HE1 PHE 20 HE2 PHE 20 2.165 -1.922 0.777
115 HE2 PHE 20 HE1 PHE 20 0.890 -5.964 1.235
116 HZ PHE 20 HZ PHE 20 0.369 -3.558 1.179
117 H SER 21 H SER 21 7.744 -7.010 1.952
118 HA SER 21 HA SER 21 10.261 -5.767 1.196
119 HB2 SER 21 1HB SER 21 9.843 -7.438 3.167
120 HB3 SER 21 2HB SER 21 9.982 -8.668 1.910
121 HG SER 21 HG SER 21 11.916 -6.671 2.491
122 H SER 22 H SER 22 8.280 -6.107 -0.861
123 HA SER 22 HA SER 22 9.890 -7.172 -2.912
124 HB2 SER 22 1HB SER 22 8.880 -9.252 -1.633
125 HB3 SER 22 2HB SER 22 7.448 -8.870 -2.589
126 HG SER 22 HG SER 22 8.533 -10.151 -3.927
127 H LYS 23 H LYS 23 9.035 -6.793 -4.981
128 HA LYS 23 HA LYS 23 7.197 -4.651 -5.146
129 HB2 LYS 23 1HB LYS 23 8.932 -4.878 -6.804
130 HB3 LYS 23 2HB LYS 23 8.343 -6.468 -7.270
131 HG2 LYS 23 1HG LYS 23 6.637 -5.629 -8.512
132 HG3 LYS 23 2HG LYS 23 6.460 -4.192 -7.502
133 HD2 LYS 23 1HD LYS 23 8.979 -4.474 -9.042
134 HD3 LYS 23 2HD LYS 23 7.512 -4.105 -9.951
135 HE2 LYS 23 1HE LYS 23 7.286 -2.041 -9.010
136 HE3 LYS 23 2HE LYS 23 8.035 -2.531 -7.491
137 HZ1 LYS 23 3HZ LYS 23 10.154 -2.691 -8.944
138 HZ2 LYS 23 1HZ LYS 23 9.628 -1.176 -8.405
139 HZ3 LYS 23 2HZ LYS 23 9.313 -1.664 -9.993
140 H SER 24 H SER 24 6.919 -8.105 -5.895
141 HA SER 24 HA SER 24 4.342 -8.081 -6.962
142 HB2 SER 24 1HB SER 24 5.773 -10.237 -5.393
143 HB3 SER 24 2HB SER 24 4.260 -10.487 -6.263
144 HG SER 24 HG SER 24 5.737 -11.034 -7.735
145 H TYR 25 H TYR 25 5.270 -8.975 -3.633
146 HA TYR 25 HA TYR 25 2.878 -9.316 -2.449
147 HB2 TYR 25 1HB TYR 25 5.320 -7.896 -1.409
148 HB3 TYR 25 2HB TYR 25 3.909 -8.166 -0.393
149 HD1 TYR 25 HD1 TYR 25 3.057 -10.849 -1.123
150 HD2 TYR 25 HD2 TYR 25 6.991 -9.303 -0.633
151 HE1 TYR 25 HE1 TYR 25 3.871 -13.107 -0.588
152 HE2 TYR 25 HE2 TYR 25 7.816 -11.558 -0.097
153 HH TYR 25 HH TYR 25 6.598 -14.183 -0.820
154 H LEU 26 H LEU 26 4.393 -6.145 -2.992
155 HA LEU 26 HA LEU 26 2.316 -4.607 -1.882
156 HB2 LEU 26 1HB LEU 26 4.388 -3.546 -2.175
157 HB3 LEU 26 2HB LEU 26 4.484 -4.017 -3.870
158 HG LEU 26 HG LEU 26 2.587 -2.441 -4.323
159 HD11 LEU 26 1HD1 LEU 26 1.783 -2.393 -1.960
160 HD12 LEU 26 2HD1 LEU 26 1.980 -0.804 -2.698
161 HD13 LEU 26 3HD1 LEU 26 3.187 -1.403 -1.560
162 HD21 LEU 26 3HD2 LEU 26 5.321 -1.951 -3.984
163 HD22 LEU 26 1HD2 LEU 26 4.495 -0.575 -3.254
164 HD23 LEU 26 2HD2 LEU 26 4.170 -1.008 -4.932
165 H ILE 27 H ILE 27 3.096 -5.084 -5.334
166 HA ILE 27 HA ILE 27 0.944 -3.892 -6.495
167 HB ILE 27 HB ILE 27 2.242 -6.482 -7.346
168 HG12 ILE 27 1HG1 ILE 27 2.693 -3.632 -8.259
169 HG13 ILE 27 2HG1 ILE 27 3.752 -4.528 -7.176
170 HG21 ILE 27 1HG2 ILE 27 1.308 -6.100 -9.540
171 HG22 ILE 27 2HG2 ILE 27 0.009 -6.172 -8.351
172 HG23 ILE 27 3HG2 ILE 27 0.537 -4.614 -8.986
173 HD11 ILE 27 3HD1 ILE 27 3.431 -4.705 -10.096
174 HD12 ILE 27 1HD1 ILE 27 4.863 -4.924 -9.091
175 HD13 ILE 27 2HD1 ILE 27 3.685 -6.227 -9.243
176 H VAL 28 H VAL 28 1.044 -7.119 -5.061
177 HA VAL 28 HA VAL 28 -1.546 -7.923 -5.857
178 HB VAL 28 HB VAL 28 0.077 -8.831 -3.475
179 HG11 VAL 28 1HG1 VAL 28 -1.969 -10.544 -4.782
180 HG12 VAL 28 2HG1 VAL 28 -1.417 -10.517 -3.106
181 HG13 VAL 28 3HG1 VAL 28 -2.522 -9.273 -3.693
182 HG21 VAL 28 3HG2 VAL 28 -0.151 -10.615 -5.771
183 HG22 VAL 28 1HG2 VAL 28 0.681 -9.104 -6.140
184 HG23 VAL 28 2HG2 VAL 28 1.270 -10.141 -4.841
185 H HIS 29 H HIS 29 -0.325 -6.283 -2.974
186 HA HIS 29 HA HIS 29 -2.783 -6.304 -1.556
187 HB2 HIS 29 1HB HIS 29 -0.865 -5.958 -0.238
188 HB3 HIS 29 2HB HIS 29 -0.249 -4.701 -1.306
189 HD1 HIS 29 HD1 HIS 29 -2.823 -5.278 1.377
190 HD2 HIS 29 HD2 HIS 29 -1.117 -2.138 -0.743
191 HE1 HIS 29 HE1 HIS 29 -3.606 -3.184 2.530
192 H GLN 30 H GLN 30 -1.122 -3.689 -3.326
193 HA GLN 30 HA GLN 30 -2.838 -1.632 -3.111
194 HB2 GLN 30 1HB GLN 30 -1.319 -2.630 -5.500
195 HB3 GLN 30 2HB GLN 30 -2.332 -1.198 -5.625
196 HG2 GLN 30 1HG GLN 30 -0.988 -0.442 -3.508
197 HG3 GLN 30 2HG GLN 30 0.189 -1.612 -4.104
198 HE21 GLN 30 1HE2 GLN 30 1.679 0.034 -4.516
199 HE22 GLN 30 2HE2 GLN 30 1.512 1.096 -5.868
200 H ARG 31 H ARG 31 -3.485 -4.630 -4.719
201 HA ARG 31 HA ARG 31 -5.602 -3.899 -6.383
202 HB2 ARG 31 1HB ARG 31 -5.196 -6.485 -4.868
203 HB3 ARG 31 2HB ARG 31 -6.316 -6.259 -6.205
204 HG2 ARG 31 1HG ARG 31 -4.560 -5.963 -7.754
205 HG3 ARG 31 2HG ARG 31 -3.362 -5.788 -6.470
206 HD2 ARG 31 1HD ARG 31 -3.023 -7.964 -7.200
207 HD3 ARG 31 2HD ARG 31 -4.073 -8.178 -5.800
208 HE ARG 31 HE ARG 31 -5.767 -8.881 -7.200
209 HH11 ARG 31 1HH1 ARG 31 -3.115 -7.614 -9.066
210 HH12 ARG 31 2HH1 ARG 31 -3.724 -8.205 -10.576
211 HH21 ARG 31 1HH2 ARG 31 -6.580 -9.665 -9.182
212 HH22 ARG 31 2HH2 ARG 31 -5.696 -9.371 -10.641
213 H ILE 32 H ILE 32 -5.632 -4.922 -2.982
214 HA ILE 32 HA ILE 32 -8.302 -5.059 -2.457
215 HB ILE 32 HB ILE 32 -7.855 -4.594 -0.184
216 HG12 ILE 32 1HG1 ILE 32 -5.210 -3.337 -0.900
217 HG13 ILE 32 2HG1 ILE 32 -6.683 -2.385 -0.749
218 HG21 ILE 32 1HG2 ILE 32 -6.644 -6.445 -0.033
219 HG22 ILE 32 2HG2 ILE 32 -6.131 -6.250 -1.709
220 HG23 ILE 32 3HG2 ILE 32 -5.184 -5.530 -0.407
221 HD11 ILE 32 3HD1 ILE 32 -5.690 -4.158 1.455
222 HD12 ILE 32 1HD1 ILE 32 -5.165 -2.485 1.270
223 HD13 ILE 32 2HD1 ILE 32 -6.869 -2.850 1.542
224 H HIS 33 H HIS 33 -6.493 -2.249 -3.301
225 HA HIS 33 HA HIS 33 -8.506 -0.391 -2.353
226 HB2 HIS 33 1HB HIS 33 -5.953 -0.012 -3.922
227 HB3 HIS 33 2HB HIS 33 -7.033 1.311 -3.494
228 HD1 HIS 33 HD1 HIS 33 -7.560 1.214 -0.688
229 HD2 HIS 33 HD2 HIS 33 -3.936 -0.196 -2.151
230 HE1 HIS 33 HE1 HIS 33 -5.985 1.249 1.272
231 H THR 34 H THR 34 -7.005 -0.803 -5.561
232 HA THR 34 HA THR 34 -8.947 0.481 -7.041
233 HB THR 34 HB THR 34 -7.003 -0.015 -8.228
234 HG1 THR 34 HG1 THR 34 -7.745 -1.487 -9.921
235 HG21 THR 34 3HG2 THR 34 -5.711 -1.755 -7.720
236 HG22 THR 34 1HG2 THR 34 -6.920 -2.869 -8.357
237 HG23 THR 34 2HG2 THR 34 -6.984 -2.372 -6.666
238 H GLY 35 H GLY 35 -10.303 -0.718 -8.794
239 HA2 GLY 35 1HA GLY 35 -11.892 -2.338 -9.353
240 HA3 GLY 35 2HA GLY 35 -11.538 -3.171 -7.846
241 H GLU 36 H GLU 36 -12.369 0.238 -8.140
242 HA GLU 36 HA GLU 36 -14.575 -0.165 -6.298
243 HB2 GLU 36 1HB GLU 36 -13.443 2.357 -7.523
244 HB3 GLU 36 2HB GLU 36 -14.714 2.311 -6.308
245 HG2 GLU 36 1HG GLU 36 -12.953 0.952 -4.941
246 HG3 GLU 36 2HG GLU 36 -11.807 1.727 -6.034
247 H LYS 37 H LYS 37 -16.611 -0.427 -6.906
248 HA LYS 37 HA LYS 37 -17.632 -0.845 -9.331
249 HB2 LYS 37 1HB LYS 37 -18.775 -0.642 -6.944
250 HB3 LYS 37 2HB LYS 37 -19.306 0.906 -7.589
251 HG2 LYS 37 1HG LYS 37 -19.749 -1.704 -9.013
252 HG3 LYS 37 2HG LYS 37 -20.904 -1.011 -7.873
253 HD2 LYS 37 1HD LYS 37 -21.112 0.976 -9.250
254 HD3 LYS 37 2HD LYS 37 -19.886 0.362 -10.361
255 HE2 LYS 37 1HE LYS 37 -22.404 -1.168 -9.779
256 HE3 LYS 37 2HE LYS 37 -22.349 0.087 -11.017
257 HZ1 LYS 37 3HZ LYS 37 -20.194 -1.811 -11.198
258 HZ2 LYS 37 1HZ LYS 37 -21.233 -1.236 -12.403
259 HZ3 LYS 37 2HZ LYS 37 -21.721 -2.511 -11.404
260 H LEU 38 H LEU 38 -17.662 0.204 -11.198
261 HA LEU 38 HA LEU 38 -17.681 3.150 -11.156
262 HB2 LEU 38 1HB LEU 38 -16.287 3.218 -12.995
263 HB3 LEU 38 2HB LEU 38 -15.640 1.867 -12.066
264 HG LEU 38 HG LEU 38 -15.598 1.198 -14.327
265 HD11 LEU 38 1HD1 LEU 38 -17.158 -0.683 -14.390
266 HD12 LEU 38 2HD1 LEU 38 -18.067 0.024 -13.054
267 HD13 LEU 38 3HD1 LEU 38 -16.408 -0.518 -12.802
268 HD21 LEU 38 3HD2 LEU 38 -17.143 1.680 -15.923
269 HD22 LEU 38 1HD2 LEU 38 -17.467 3.023 -14.826
270 HD23 LEU 38 2HD2 LEU 38 -18.499 1.593 -14.798
271 H SER 39 H SER 39 -18.490 4.021 -13.376
272 HA SER 39 HA SER 39 -20.823 2.466 -14.265
273 HB2 SER 39 1HB SER 39 -20.749 5.288 -13.244
274 HB3 SER 39 2HB SER 39 -21.959 4.815 -14.436
275 HG SER 39 HG SER 39 -21.911 4.335 -11.792
276 H GLY 40 H GLY 40 -20.682 2.120 -16.374
277 HA2 GLY 40 1HA GLY 40 -19.750 4.302 -18.107
278 HA3 GLY 40 2HA GLY 40 -18.978 2.728 -18.238
279 HA PRO 41 HA PRO 41 -23.145 3.120 -20.634
280 HB2 PRO 41 1HB PRO 41 -22.317 4.166 -22.997
281 HB3 PRO 41 2HB PRO 41 -22.903 5.161 -21.659
282 HG2 PRO 41 1HG PRO 41 -20.088 4.561 -22.482
283 HG3 PRO 41 2HG PRO 41 -20.800 6.103 -21.974
284 HD2 PRO 41 1HD PRO 41 -19.323 4.562 -20.308
285 HD3 PRO 41 2HD PRO 41 -20.666 5.572 -19.735
286 H SER 42 H SER 42 -23.095 0.894 -20.776
287 HA SER 42 HA SER 42 -21.141 -0.492 -22.353
288 HB2 SER 42 1HB SER 42 -22.507 -1.339 -20.289
289 HB3 SER 42 2HB SER 42 -23.736 -1.729 -21.492
290 HG SER 42 HG SER 42 -21.044 -2.632 -21.509
291 H SER 43 H SER 43 -24.673 -0.094 -22.668
292 HA SER 43 HA SER 43 -24.573 -0.973 -25.426
293 HB2 SER 43 1HB SER 43 -26.446 -1.468 -23.705
294 HB3 SER 43 2HB SER 43 -27.008 0.163 -24.070
295 HG SER 43 HG SER 43 -26.668 -1.973 -25.908
296 H GLY 44 H GLY 44 -25.113 0.273 -27.228
297 HA2 GLY 44 1HA GLY 44 -24.063 2.758 -27.518
298 HA3 GLY 44 2HA GLY 44 -25.415 2.188 -28.485
Start of MODEL 19
1 H1 GLY 1 H GLY 1 33.237 6.892 -1.477
2 HA2 GLY 1 1HA GLY 1 30.671 5.897 -2.503
3 HA3 GLY 1 2HA GLY 1 32.061 4.821 -2.518
4 H SER 2 H SER 2 30.287 6.951 -0.280
5 HA SER 2 HA SER 2 30.898 5.067 1.887
6 HB2 SER 2 1HB SER 2 31.537 7.332 2.409
7 HB3 SER 2 2HB SER 2 29.948 7.939 1.943
8 HG SER 2 HG SER 2 30.169 6.004 3.969
9 H SER 3 H SER 3 28.161 7.139 0.909
10 HA SER 3 HA SER 3 26.192 5.850 2.374
11 HB2 SER 3 1HB SER 3 24.582 6.853 0.795
12 HB3 SER 3 2HB SER 3 25.829 8.007 1.267
13 HG SER 3 HG SER 3 26.549 8.049 -0.720
14 H GLY 4 H GLY 4 24.464 4.424 1.670
15 HA2 GLY 4 1HA GLY 4 24.212 2.985 -0.617
16 HA3 GLY 4 2HA GLY 4 25.519 2.163 0.221
17 H SER 5 H SER 5 22.476 1.722 -0.431
18 HA SER 5 HA SER 5 21.806 0.691 2.249
19 HB2 SER 5 1HB SER 5 19.449 1.044 1.742
20 HB3 SER 5 2HB SER 5 20.330 2.559 1.546
21 HG SER 5 HG SER 5 18.762 1.705 -0.183
22 H SER 6 H SER 6 21.983 -1.442 2.291
23 HA SER 6 HA SER 6 22.354 -3.167 0.210
24 HB2 SER 6 1HB SER 6 20.926 -3.758 2.814
25 HB3 SER 6 2HB SER 6 21.589 -4.975 1.724
26 HG SER 6 HG SER 6 23.054 -2.941 3.058
27 H GLY 7 H GLY 7 19.229 -2.424 1.754
28 HA2 GLY 7 1HA GLY 7 17.411 -2.027 0.045
29 HA3 GLY 7 2HA GLY 7 17.903 -3.578 -0.620
30 H GLU 8 H GLU 8 15.969 -1.975 1.686
31 HA GLU 8 HA GLU 8 14.836 -4.536 2.510
32 HB2 GLU 8 1HB GLU 8 16.600 -3.611 4.193
33 HB3 GLU 8 2HB GLU 8 15.339 -2.462 4.618
34 HG2 GLU 8 1HG GLU 8 15.349 -4.371 6.121
35 HG3 GLU 8 2HG GLU 8 13.846 -4.284 5.204
36 H LYS 9 H LYS 9 12.751 -4.416 2.052
37 HA LYS 9 HA LYS 9 10.657 -3.603 1.669
38 HB2 LYS 9 1HB LYS 9 11.355 -1.811 4.003
39 HB3 LYS 9 2HB LYS 9 9.733 -2.147 3.412
40 HG2 LYS 9 1HG LYS 9 9.695 -4.253 4.297
41 HG3 LYS 9 2HG LYS 9 11.449 -4.436 4.223
42 HD2 LYS 9 1HD LYS 9 11.413 -2.506 5.999
43 HD3 LYS 9 2HD LYS 9 9.763 -3.069 6.272
44 HE2 LYS 9 1HE LYS 9 12.187 -4.859 6.331
45 HE3 LYS 9 2HE LYS 9 11.489 -4.103 7.763
46 HZ1 LYS 9 3HZ LYS 9 10.794 -6.516 6.854
47 HZ2 LYS 9 1HZ LYS 9 9.617 -5.560 6.102
48 HZ3 LYS 9 2HZ LYS 9 9.780 -5.534 7.786
49 HA PRO 10 HA PRO 10 12.503 0.227 -0.401
50 HB2 PRO 10 1HB PRO 10 12.576 -0.773 -2.924
51 HB3 PRO 10 2HB PRO 10 13.923 -0.928 -1.790
52 HG2 PRO 10 1HG PRO 10 11.810 -2.925 -2.506
53 HG3 PRO 10 2HG PRO 10 13.553 -3.169 -2.289
54 HD2 PRO 10 1HD PRO 10 11.745 -3.801 -0.376
55 HD3 PRO 10 2HD PRO 10 13.385 -3.241 0.008
56 H TYR 11 H TYR 11 9.861 -1.956 -0.934
57 HA TYR 11 HA TYR 11 8.393 0.111 -2.422
58 HB2 TYR 11 1HB TYR 11 7.546 -2.761 -2.072
59 HB3 TYR 11 2HB TYR 11 6.975 -1.599 -3.264
60 HD1 TYR 11 HD1 TYR 11 8.353 -1.035 -5.211
61 HD2 TYR 11 HD2 TYR 11 9.612 -3.963 -2.392
62 HE1 TYR 11 HE1 TYR 11 10.025 -1.854 -6.818
63 HE2 TYR 11 HE2 TYR 11 11.289 -4.789 -3.990
64 HH TYR 11 HH TYR 11 11.449 -3.561 -7.285
65 H GLY 12 H GLY 12 6.193 0.565 -1.842
66 HA2 GLY 12 1HA GLY 12 5.156 -0.406 0.670
67 HA3 GLY 12 2HA GLY 12 5.708 1.261 0.733
68 H CYS 13 H CYS 13 3.067 0.557 1.232
69 HA CYS 13 HA CYS 13 1.640 1.394 -1.198
70 HB2 CYS 13 1HB CYS 13 0.930 -0.726 -0.049
71 HB3 CYS 13 2HB CYS 13 0.462 0.250 1.340
72 H ASN 14 H ASN 14 1.306 3.508 -1.324
73 HA ASN 14 HA ASN 14 1.317 5.199 0.998
74 HB2 ASN 14 1HB ASN 14 0.639 6.951 -0.812
75 HB3 ASN 14 2HB ASN 14 2.258 6.257 -0.850
76 HD21 ASN 14 1HD2 ASN 14 -1.001 5.704 -2.125
77 HD22 ASN 14 2HD2 ASN 14 -0.485 5.159 -3.682
78 H GLU 15 H GLU 15 -1.097 3.823 -1.136
79 HA GLU 15 HA GLU 15 -3.317 5.333 -0.685
80 HB2 GLU 15 1HB GLU 15 -3.133 2.318 -0.754
81 HB3 GLU 15 2HB GLU 15 -4.638 3.219 -0.870
82 HG2 GLU 15 1HG GLU 15 -4.127 4.056 -2.969
83 HG3 GLU 15 2HG GLU 15 -2.402 3.747 -2.780
84 H CYS 16 H CYS 16 -1.983 2.863 1.477
85 HA CYS 16 HA CYS 16 -3.757 3.881 3.601
86 HB2 CYS 16 1HB CYS 16 -3.758 1.683 4.600
87 HB3 CYS 16 2HB CYS 16 -4.232 1.533 2.911
88 H GLY 17 H GLY 17 -0.558 2.516 2.896
89 HA2 GLY 17 1HA GLY 17 1.341 3.819 3.816
90 HA3 GLY 17 2HA GLY 17 0.437 3.882 5.322
91 H LYS 18 H LYS 18 0.865 1.104 3.177
92 HA LYS 18 HA LYS 18 1.998 -0.373 5.439
93 HB2 LYS 18 1HB LYS 18 -0.005 -1.260 4.196
94 HB3 LYS 18 2HB LYS 18 1.035 -1.469 2.793
95 HG2 LYS 18 1HG LYS 18 2.184 -3.219 3.732
96 HG3 LYS 18 2HG LYS 18 1.832 -2.705 5.384
97 HD2 LYS 18 1HD LYS 18 -0.602 -3.268 4.857
98 HD3 LYS 18 2HD LYS 18 0.021 -4.099 3.429
99 HE2 LYS 18 1HE LYS 18 0.898 -4.667 6.258
100 HE3 LYS 18 2HE LYS 18 -0.334 -5.586 5.393
101 HZ1 LYS 18 3HZ LYS 18 1.750 -6.718 5.221
102 HZ2 LYS 18 1HZ LYS 18 2.530 -5.327 4.657
103 HZ3 LYS 18 2HZ LYS 18 1.367 -6.092 3.697
104 H ASP 19 H ASP 19 3.655 -2.084 4.798
105 HA ASP 19 HA ASP 19 5.452 -1.157 2.679
106 HB2 ASP 19 1HB ASP 19 7.309 -1.759 4.512
107 HB3 ASP 19 2HB ASP 19 6.651 -0.135 4.331
108 H PHE 20 H PHE 20 6.231 -2.782 1.499
109 HA PHE 20 HA PHE 20 6.133 -5.497 2.639
110 HB2 PHE 20 1HB PHE 20 5.727 -4.829 -0.278
111 HB3 PHE 20 2HB PHE 20 5.463 -6.378 0.517
112 HD1 PHE 20 HD2 PHE 20 4.246 -2.873 0.427
113 HD2 PHE 20 HD1 PHE 20 3.366 -6.934 1.346
114 HE1 PHE 20 HE2 PHE 20 1.888 -2.275 0.797
115 HE2 PHE 20 HE1 PHE 20 1.007 -6.343 1.717
116 HZ PHE 20 HZ PHE 20 0.265 -4.010 1.444
117 H SER 21 H SER 21 7.730 -6.984 1.900
118 HA SER 21 HA SER 21 10.289 -5.744 1.477
119 HB2 SER 21 1HB SER 21 10.311 -7.597 2.954
120 HB3 SER 21 2HB SER 21 9.395 -8.603 1.832
121 HG SER 21 HG SER 21 11.176 -9.084 0.808
122 H SER 22 H SER 22 8.201 -7.948 -0.361
123 HA SER 22 HA SER 22 9.946 -7.669 -2.690
124 HB2 SER 22 1HB SER 22 8.820 -9.889 -1.775
125 HB3 SER 22 2HB SER 22 7.461 -9.327 -2.750
126 HG SER 22 HG SER 22 9.213 -9.072 -4.440
127 H LYS 23 H LYS 23 8.997 -7.211 -4.797
128 HA LYS 23 HA LYS 23 7.253 -4.937 -4.671
129 HB2 LYS 23 1HB LYS 23 9.128 -5.049 -6.263
130 HB3 LYS 23 2HB LYS 23 8.362 -6.413 -7.067
131 HG2 LYS 23 1HG LYS 23 6.390 -4.856 -7.475
132 HG3 LYS 23 2HG LYS 23 7.475 -3.548 -6.997
133 HD2 LYS 23 1HD LYS 23 9.071 -4.678 -8.761
134 HD3 LYS 23 2HD LYS 23 7.552 -5.305 -9.405
135 HE2 LYS 23 1HE LYS 23 7.666 -3.350 -10.570
136 HE3 LYS 23 2HE LYS 23 6.821 -2.775 -9.134
137 HZ1 LYS 23 3HZ LYS 23 8.802 -1.434 -9.945
138 HZ2 LYS 23 1HZ LYS 23 9.768 -2.681 -9.333
139 HZ3 LYS 23 2HZ LYS 23 8.755 -1.810 -8.297
140 H SER 24 H SER 24 6.989 -8.270 -5.807
141 HA SER 24 HA SER 24 4.474 -8.074 -7.028
142 HB2 SER 24 1HB SER 24 4.386 -10.484 -6.893
143 HB3 SER 24 2HB SER 24 6.051 -10.012 -7.236
144 HG SER 24 HG SER 24 5.197 -10.396 -4.581
145 H TYR 25 H TYR 25 5.395 -8.741 -3.683
146 HA TYR 25 HA TYR 25 2.867 -9.408 -2.688
147 HB2 TYR 25 1HB TYR 25 5.305 -8.196 -1.401
148 HB3 TYR 25 2HB TYR 25 3.844 -8.529 -0.478
149 HD1 TYR 25 HD1 TYR 25 2.921 -11.075 -1.406
150 HD2 TYR 25 HD2 TYR 25 6.925 -9.746 -0.852
151 HE1 TYR 25 HE1 TYR 25 3.644 -13.405 -1.094
152 HE2 TYR 25 HE2 TYR 25 7.659 -12.072 -0.539
153 HH TYR 25 HH TYR 25 6.044 -14.651 -1.457
154 H LEU 26 H LEU 26 4.264 -6.341 -3.515
155 HA LEU 26 HA LEU 26 2.308 -4.782 -2.081
156 HB2 LEU 26 1HB LEU 26 4.415 -3.764 -2.319
157 HB3 LEU 26 2HB LEU 26 4.483 -4.124 -4.043
158 HG LEU 26 HG LEU 26 2.741 -2.452 -4.457
159 HD11 LEU 26 1HD1 LEU 26 1.444 -2.437 -2.505
160 HD12 LEU 26 2HD1 LEU 26 2.248 -0.868 -2.525
161 HD13 LEU 26 3HD1 LEU 26 2.845 -2.151 -1.472
162 HD21 LEU 26 3HD2 LEU 26 5.110 -1.811 -4.533
163 HD22 LEU 26 1HD2 LEU 26 5.039 -1.374 -2.826
164 HD23 LEU 26 2HD2 LEU 26 4.083 -0.477 -4.006
165 H ILE 27 H ILE 27 3.045 -5.297 -5.533
166 HA ILE 27 HA ILE 27 0.934 -3.931 -6.649
167 HB ILE 27 HB ILE 27 2.147 -6.520 -7.624
168 HG12 ILE 27 1HG1 ILE 27 2.745 -3.692 -8.503
169 HG13 ILE 27 2HG1 ILE 27 3.680 -4.535 -7.272
170 HG21 ILE 27 1HG2 ILE 27 1.144 -6.190 -9.694
171 HG22 ILE 27 2HG2 ILE 27 -0.138 -5.777 -8.557
172 HG23 ILE 27 3HG2 ILE 27 0.776 -4.499 -9.356
173 HD11 ILE 27 3HD1 ILE 27 3.656 -4.863 -10.193
174 HD12 ILE 27 1HD1 ILE 27 4.967 -5.071 -9.031
175 HD13 ILE 27 2HD1 ILE 27 3.770 -6.349 -9.250
176 H VAL 28 H VAL 28 0.953 -7.134 -5.207
177 HA VAL 28 HA VAL 28 -1.657 -7.876 -6.079
178 HB VAL 28 HB VAL 28 0.085 -8.929 -3.852
179 HG11 VAL 28 1HG1 VAL 28 -2.341 -9.239 -3.377
180 HG12 VAL 28 2HG1 VAL 28 -2.472 -10.148 -4.884
181 HG13 VAL 28 3HG1 VAL 28 -1.451 -10.748 -3.576
182 HG21 VAL 28 3HG2 VAL 28 0.046 -9.317 -6.667
183 HG22 VAL 28 1HG2 VAL 28 1.082 -10.085 -5.463
184 HG23 VAL 28 2HG2 VAL 28 -0.461 -10.821 -5.897
185 H HIS 29 H HIS 29 -0.363 -6.386 -3.148
186 HA HIS 29 HA HIS 29 -2.799 -6.419 -1.693
187 HB2 HIS 29 1HB HIS 29 -0.776 -6.173 -0.455
188 HB3 HIS 29 2HB HIS 29 -0.277 -4.784 -1.416
189 HD1 HIS 29 HD1 HIS 29 -2.550 -5.768 1.390
190 HD2 HIS 29 HD2 HIS 29 -1.384 -2.339 -0.646
191 HE1 HIS 29 HE1 HIS 29 -3.417 -3.845 2.759
192 H GLN 30 H GLN 30 -1.125 -3.788 -3.423
193 HA GLN 30 HA GLN 30 -2.790 -1.699 -3.088
194 HB2 GLN 30 1HB GLN 30 -1.343 -2.642 -5.543
195 HB3 GLN 30 2HB GLN 30 -2.328 -1.187 -5.595
196 HG2 GLN 30 1HG GLN 30 -0.990 -0.235 -3.770
197 HG3 GLN 30 2HG GLN 30 0.018 -1.681 -3.777
198 HE21 GLN 30 1HE2 GLN 30 1.692 -0.009 -4.126
199 HE22 GLN 30 2HE2 GLN 30 2.037 0.464 -5.751
200 H ARG 31 H ARG 31 -3.549 -4.635 -4.746
201 HA ARG 31 HA ARG 31 -5.682 -3.799 -6.349
202 HB2 ARG 31 1HB ARG 31 -5.268 -6.442 -4.940
203 HB3 ARG 31 2HB ARG 31 -6.448 -6.156 -6.213
204 HG2 ARG 31 1HG ARG 31 -4.628 -5.617 -7.765
205 HG3 ARG 31 2HG ARG 31 -3.457 -5.945 -6.487
206 HD2 ARG 31 1HD ARG 31 -4.162 -8.248 -6.371
207 HD3 ARG 31 2HD ARG 31 -5.458 -7.945 -7.527
208 HE ARG 31 HE ARG 31 -2.781 -7.382 -8.477
209 HH11 ARG 31 1HH1 ARG 31 -5.377 -9.691 -8.249
210 HH12 ARG 31 2HH1 ARG 31 -4.833 -10.632 -9.598
211 HH21 ARG 31 1HH2 ARG 31 -2.055 -8.613 -10.255
212 HH22 ARG 31 2HH2 ARG 31 -2.942 -10.019 -10.737
213 H ILE 32 H ILE 32 -5.639 -4.907 -2.979
214 HA ILE 32 HA ILE 32 -8.357 -4.936 -2.465
215 HB ILE 32 HB ILE 32 -7.853 -4.739 -0.147
216 HG12 ILE 32 1HG1 ILE 32 -5.007 -3.980 -0.579
217 HG13 ILE 32 2HG1 ILE 32 -6.218 -2.715 -0.753
218 HG21 ILE 32 1HG2 ILE 32 -6.341 -6.435 -1.883
219 HG22 ILE 32 2HG2 ILE 32 -5.378 -6.042 -0.459
220 HG23 ILE 32 3HG2 ILE 32 -6.973 -6.772 -0.271
221 HD11 ILE 32 3HD1 ILE 32 -7.001 -3.123 1.500
222 HD12 ILE 32 1HD1 ILE 32 -5.853 -4.450 1.678
223 HD13 ILE 32 2HD1 ILE 32 -5.269 -2.795 1.497
224 H HIS 33 H HIS 33 -6.419 -2.283 -3.274
225 HA HIS 33 HA HIS 33 -8.349 -0.380 -2.134
226 HB2 HIS 33 1HB HIS 33 -5.542 0.068 -3.169
227 HB3 HIS 33 2HB HIS 33 -6.608 1.340 -2.578
228 HD1 HIS 33 HD1 HIS 33 -7.469 0.812 0.033
229 HD2 HIS 33 HD2 HIS 33 -3.891 -0.864 -1.251
230 HE1 HIS 33 HE1 HIS 33 -6.214 0.218 2.130
231 H THR 34 H THR 34 -6.768 -1.389 -5.111
232 HA THR 34 HA THR 34 -7.553 0.551 -6.881
233 HB THR 34 HB THR 34 -7.645 -1.257 -8.621
234 HG1 THR 34 HG1 THR 34 -7.990 -3.216 -7.923
235 HG21 THR 34 3HG2 THR 34 -5.355 -1.482 -8.687
236 HG22 THR 34 1HG2 THR 34 -5.223 -1.758 -6.951
237 HG23 THR 34 2HG2 THR 34 -5.516 -0.131 -7.565
238 H GLY 35 H GLY 35 -9.256 0.123 -8.700
239 HA2 GLY 35 1HA GLY 35 -11.776 -0.848 -7.539
240 HA3 GLY 35 2HA GLY 35 -11.701 0.795 -8.157
241 H GLU 36 H GLU 36 -10.151 0.399 -10.436
242 HA GLU 36 HA GLU 36 -10.432 -0.049 -12.652
243 HB2 GLU 36 1HB GLU 36 -9.758 -2.307 -11.725
244 HB3 GLU 36 2HB GLU 36 -11.464 -2.731 -11.732
245 HG2 GLU 36 1HG GLU 36 -11.580 -2.522 -14.107
246 HG3 GLU 36 2HG GLU 36 -9.948 -1.858 -14.177
247 H LYS 37 H LYS 37 -12.574 1.305 -11.439
248 HA LYS 37 HA LYS 37 -14.857 1.666 -11.548
249 HB2 LYS 37 1HB LYS 37 -15.530 2.179 -13.799
250 HB3 LYS 37 2HB LYS 37 -13.839 2.626 -13.613
251 HG2 LYS 37 1HG LYS 37 -13.147 0.616 -14.772
252 HG3 LYS 37 2HG LYS 37 -14.826 0.086 -14.896
253 HD2 LYS 37 1HD LYS 37 -14.580 1.041 -16.956
254 HD3 LYS 37 2HD LYS 37 -15.106 2.457 -16.043
255 HE2 LYS 37 1HE LYS 37 -13.236 3.132 -17.335
256 HE3 LYS 37 2HE LYS 37 -12.675 2.985 -15.670
257 HZ1 LYS 37 3HZ LYS 37 -12.221 1.082 -17.898
258 HZ2 LYS 37 1HZ LYS 37 -11.879 0.716 -16.282
259 HZ3 LYS 37 2HZ LYS 37 -11.061 1.979 -17.054
260 H LEU 38 H LEU 38 -14.275 -1.090 -10.965
261 HA LEU 38 HA LEU 38 -16.375 -2.499 -12.462
262 HB2 LEU 38 1HB LEU 38 -13.944 -3.378 -12.132
263 HB3 LEU 38 2HB LEU 38 -14.522 -3.828 -10.529
264 HG LEU 38 HG LEU 38 -14.651 -5.751 -11.935
265 HD11 LEU 38 1HD1 LEU 38 -17.499 -4.972 -12.026
266 HD12 LEU 38 2HD1 LEU 38 -16.702 -4.882 -10.456
267 HD13 LEU 38 3HD1 LEU 38 -16.732 -6.406 -11.344
268 HD21 LEU 38 3HD2 LEU 38 -14.599 -4.738 -14.108
269 HD22 LEU 38 1HD2 LEU 38 -16.173 -3.985 -13.846
270 HD23 LEU 38 2HD2 LEU 38 -16.048 -5.738 -13.993
271 H SER 39 H SER 39 -18.301 -2.302 -11.524
272 HA SER 39 HA SER 39 -19.886 -1.985 -9.885
273 HB2 SER 39 1HB SER 39 -19.441 -4.488 -10.057
274 HB3 SER 39 2HB SER 39 -18.478 -4.322 -8.588
275 HG SER 39 HG SER 39 -21.127 -3.364 -8.703
276 H GLY 40 H GLY 40 -17.888 -0.176 -9.441
277 HA2 GLY 40 1HA GLY 40 -17.971 0.027 -6.524
278 HA3 GLY 40 2HA GLY 40 -16.389 0.071 -7.289
279 HA PRO 41 HA PRO 41 -16.898 4.443 -7.495
280 HB2 PRO 41 1HB PRO 41 -14.878 4.977 -9.228
281 HB3 PRO 41 2HB PRO 41 -14.603 4.548 -7.535
282 HG2 PRO 41 1HG PRO 41 -14.436 2.825 -9.977
283 HG3 PRO 41 2HG PRO 41 -13.345 2.896 -8.581
284 HD2 PRO 41 1HD PRO 41 -15.220 0.964 -8.866
285 HD3 PRO 41 2HD PRO 41 -14.720 1.583 -7.279
286 H SER 42 H SER 42 -18.730 5.044 -8.528
287 HA SER 42 HA SER 42 -19.204 4.428 -11.296
288 HB2 SER 42 1HB SER 42 -21.143 4.479 -9.929
289 HB3 SER 42 2HB SER 42 -20.709 6.043 -9.238
290 HG SER 42 HG SER 42 -21.262 7.033 -11.116
291 H SER 43 H SER 43 -18.928 7.506 -9.510
292 HA SER 43 HA SER 43 -18.854 9.210 -11.687
293 HB2 SER 43 1HB SER 43 -17.543 9.443 -8.975
294 HB3 SER 43 2HB SER 43 -17.553 10.756 -10.152
295 HG SER 43 HG SER 43 -19.808 9.502 -8.972
296 H GLY 44 H GLY 44 -16.117 7.663 -10.019
297 HA2 GLY 44 1HA GLY 44 -14.325 6.756 -11.420
298 HA3 GLY 44 2HA GLY 44 -14.505 8.175 -12.441
Start of MODEL 20
1 H1 GLY 1 H GLY 1 28.992 4.209 2.045
2 HA2 GLY 1 1HA GLY 1 28.140 7.019 1.705
3 HA3 GLY 1 2HA GLY 1 28.521 5.949 0.364
4 H SER 2 H SER 2 26.964 4.647 -0.460
5 HA SER 2 HA SER 2 24.371 4.604 0.936
6 HB2 SER 2 1HB SER 2 24.741 4.825 -2.059
7 HB3 SER 2 2HB SER 2 23.214 4.863 -1.177
8 HG SER 2 HG SER 2 23.777 6.830 -0.312
9 H SER 3 H SER 3 26.272 2.596 1.203
10 HA SER 3 HA SER 3 25.739 0.466 -0.652
11 HB2 SER 3 1HB SER 3 27.221 -0.857 0.696
12 HB3 SER 3 2HB SER 3 27.911 0.763 0.599
13 HG SER 3 HG SER 3 27.076 1.181 2.665
14 H GLY 4 H GLY 4 24.740 -1.555 -0.118
15 HA2 GLY 4 1HA GLY 4 23.485 -2.422 2.090
16 HA3 GLY 4 2HA GLY 4 22.374 -1.185 1.521
17 H SER 5 H SER 5 24.126 -4.064 0.384
18 HA SER 5 HA SER 5 22.793 -4.579 -1.948
19 HB2 SER 5 1HB SER 5 24.699 -5.913 -1.007
20 HB3 SER 5 2HB SER 5 23.548 -6.706 0.069
21 HG SER 5 HG SER 5 22.562 -7.635 -1.666
22 H SER 6 H SER 6 21.839 -5.767 1.275
23 HA SER 6 HA SER 6 19.456 -7.000 0.468
24 HB2 SER 6 1HB SER 6 20.775 -7.039 2.759
25 HB3 SER 6 2HB SER 6 19.650 -5.747 3.179
26 HG SER 6 HG SER 6 18.194 -7.610 2.075
27 H GLY 7 H GLY 7 17.246 -6.329 0.876
28 HA2 GLY 7 1HA GLY 7 16.883 -3.501 0.201
29 HA3 GLY 7 2HA GLY 7 15.686 -4.773 0.005
30 H GLU 8 H GLU 8 16.126 -2.046 1.586
31 HA GLU 8 HA GLU 8 15.078 -3.001 4.158
32 HB2 GLU 8 1HB GLU 8 16.357 -0.398 3.336
33 HB3 GLU 8 2HB GLU 8 15.533 -0.601 4.875
34 HG2 GLU 8 1HG GLU 8 17.735 -2.451 4.051
35 HG3 GLU 8 2HG GLU 8 18.082 -0.887 4.787
36 H LYS 9 H LYS 9 13.004 -3.420 3.083
37 HA LYS 9 HA LYS 9 10.869 -2.896 2.470
38 HB2 LYS 9 1HB LYS 9 11.395 -0.627 4.399
39 HB3 LYS 9 2HB LYS 9 9.805 -1.136 3.845
40 HG2 LYS 9 1HG LYS 9 9.951 -3.189 4.989
41 HG3 LYS 9 2HG LYS 9 11.682 -2.995 5.272
42 HD2 LYS 9 1HD LYS 9 10.889 -2.379 7.324
43 HD3 LYS 9 2HD LYS 9 10.866 -0.808 6.519
44 HE2 LYS 9 1HE LYS 9 8.775 -0.988 7.576
45 HE3 LYS 9 2HE LYS 9 8.464 -1.348 5.879
46 HZ1 LYS 9 3HZ LYS 9 8.317 -3.641 6.342
47 HZ2 LYS 9 1HZ LYS 9 7.389 -2.873 7.530
48 HZ3 LYS 9 2HZ LYS 9 8.931 -3.456 7.908
49 HA PRO 10 HA PRO 10 12.420 0.556 -0.367
50 HB2 PRO 10 1HB PRO 10 12.640 -0.948 -2.617
51 HB3 PRO 10 2HB PRO 10 13.968 -0.734 -1.471
52 HG2 PRO 10 1HG PRO 10 12.058 -3.021 -1.750
53 HG3 PRO 10 2HG PRO 10 13.810 -3.054 -1.479
54 HD2 PRO 10 1HD PRO 10 12.020 -3.426 0.518
55 HD3 PRO 10 2HD PRO 10 13.595 -2.650 0.780
56 H TYR 11 H TYR 11 10.037 -1.989 -0.542
57 HA TYR 11 HA TYR 11 8.412 -0.400 -2.400
58 HB2 TYR 11 1HB TYR 11 7.983 -3.249 -1.481
59 HB3 TYR 11 2HB TYR 11 7.104 -2.415 -2.758
60 HD1 TYR 11 HD1 TYR 11 8.135 -2.022 -4.930
61 HD2 TYR 11 HD2 TYR 11 10.230 -4.081 -1.851
62 HE1 TYR 11 HE1 TYR 11 9.774 -2.816 -6.583
63 HE2 TYR 11 HE2 TYR 11 11.875 -4.880 -3.496
64 HH TYR 11 HH TYR 11 11.494 -4.213 -6.948
65 H GLY 12 H GLY 12 6.485 0.463 -1.822
66 HA2 GLY 12 1HA GLY 12 5.222 -0.310 0.683
67 HA3 GLY 12 2HA GLY 12 5.841 1.333 0.618
68 H CYS 13 H CYS 13 3.116 0.607 0.991
69 HA CYS 13 HA CYS 13 1.810 1.171 -1.552
70 HB2 CYS 13 1HB CYS 13 0.806 -0.548 -0.163
71 HB3 CYS 13 2HB CYS 13 0.691 0.569 1.193
72 H ASN 14 H ASN 14 1.266 3.150 -2.170
73 HA ASN 14 HA ASN 14 1.448 5.336 -0.239
74 HB2 ASN 14 1HB ASN 14 2.528 5.230 -2.649
75 HB3 ASN 14 2HB ASN 14 0.935 5.788 -3.150
76 HD21 ASN 14 1HD2 ASN 14 3.040 7.364 -3.655
77 HD22 ASN 14 2HD2 ASN 14 3.038 8.746 -2.617
78 H GLU 15 H GLU 15 -0.825 3.479 -0.278
79 HA GLU 15 HA GLU 15 -2.976 5.380 -0.947
80 HB2 GLU 15 1HB GLU 15 -3.216 2.375 -0.739
81 HB3 GLU 15 2HB GLU 15 -4.457 3.498 -1.277
82 HG2 GLU 15 1HG GLU 15 -1.848 3.316 -2.722
83 HG3 GLU 15 2HG GLU 15 -3.130 2.144 -3.025
84 H CYS 16 H CYS 16 -1.836 2.987 1.388
85 HA CYS 16 HA CYS 16 -3.575 4.246 3.406
86 HB2 CYS 16 1HB CYS 16 -3.895 2.113 4.478
87 HB3 CYS 16 2HB CYS 16 -4.319 1.943 2.778
88 H GLY 17 H GLY 17 -0.527 2.575 2.762
89 HA2 GLY 17 1HA GLY 17 1.415 3.820 3.792
90 HA3 GLY 17 2HA GLY 17 0.521 3.671 5.297
91 H LYS 18 H LYS 18 0.233 0.994 3.212
92 HA LYS 18 HA LYS 18 1.450 -0.765 5.070
93 HB2 LYS 18 1HB LYS 18 -0.368 -1.149 3.175
94 HB3 LYS 18 2HB LYS 18 1.049 -1.591 2.231
95 HG2 LYS 18 1HG LYS 18 0.190 -3.591 3.137
96 HG3 LYS 18 2HG LYS 18 1.638 -3.203 4.069
97 HD2 LYS 18 1HD LYS 18 0.042 -2.057 5.714
98 HD3 LYS 18 2HD LYS 18 -1.244 -2.925 4.871
99 HE2 LYS 18 1HE LYS 18 -0.648 -4.274 6.715
100 HE3 LYS 18 2HE LYS 18 0.081 -5.036 5.301
101 HZ1 LYS 18 3HZ LYS 18 2.114 -3.590 5.984
102 HZ2 LYS 18 1HZ LYS 18 1.812 -5.054 6.777
103 HZ3 LYS 18 2HZ LYS 18 1.375 -3.592 7.506
104 H ASP 19 H ASP 19 3.248 -2.233 4.605
105 HA ASP 19 HA ASP 19 5.253 -1.119 2.772
106 HB2 ASP 19 1HB ASP 19 6.884 -1.894 4.749
107 HB3 ASP 19 2HB ASP 19 6.222 -0.264 4.654
108 H PHE 20 H PHE 20 6.597 -2.600 1.806
109 HA PHE 20 HA PHE 20 6.387 -5.404 2.604
110 HB2 PHE 20 1HB PHE 20 6.065 -4.617 -0.287
111 HB3 PHE 20 2HB PHE 20 5.775 -6.188 0.453
112 HD1 PHE 20 HD2 PHE 20 4.486 -2.757 0.101
113 HD2 PHE 20 HD1 PHE 20 3.694 -6.712 1.458
114 HE1 PHE 20 HE2 PHE 20 2.109 -2.184 0.370
115 HE2 PHE 20 HE1 PHE 20 1.315 -6.146 1.729
116 HZ PHE 20 HZ PHE 20 0.520 -3.879 1.186
117 H SER 21 H SER 21 8.049 -6.765 1.652
118 HA SER 21 HA SER 21 10.526 -5.266 1.283
119 HB2 SER 21 1HB SER 21 10.326 -7.157 2.957
120 HB3 SER 21 2HB SER 21 10.219 -8.258 1.583
121 HG SER 21 HG SER 21 12.356 -8.126 2.220
122 H SER 22 H SER 22 8.263 -7.143 -0.500
123 HA SER 22 HA SER 22 10.124 -7.285 -2.779
124 HB2 SER 22 1HB SER 22 8.896 -9.393 -1.736
125 HB3 SER 22 2HB SER 22 7.569 -8.834 -2.754
126 HG SER 22 HG SER 22 10.196 -9.212 -3.738
127 H LYS 23 H LYS 23 8.834 -7.286 -4.943
128 HA LYS 23 HA LYS 23 7.289 -4.813 -4.961
129 HB2 LYS 23 1HB LYS 23 9.227 -5.233 -6.533
130 HB3 LYS 23 2HB LYS 23 8.219 -6.429 -7.336
131 HG2 LYS 23 1HG LYS 23 6.588 -4.706 -7.884
132 HG3 LYS 23 2HG LYS 23 7.574 -3.500 -7.053
133 HD2 LYS 23 1HD LYS 23 9.265 -3.603 -8.663
134 HD3 LYS 23 2HD LYS 23 8.702 -5.155 -9.288
135 HE2 LYS 23 1HE LYS 23 6.627 -3.982 -10.063
136 HE3 LYS 23 2HE LYS 23 7.392 -2.459 -9.612
137 HZ1 LYS 23 3HZ LYS 23 7.790 -2.756 -11.897
138 HZ2 LYS 23 1HZ LYS 23 8.251 -4.373 -11.703
139 HZ3 LYS 23 2HZ LYS 23 9.253 -3.134 -11.137
140 H SER 24 H SER 24 6.961 -8.219 -5.800
141 HA SER 24 HA SER 24 4.446 -8.054 -7.055
142 HB2 SER 24 1HB SER 24 4.408 -10.399 -6.982
143 HB3 SER 24 2HB SER 24 6.131 -10.023 -6.984
144 HG SER 24 HG SER 24 4.759 -11.397 -5.181
145 H TYR 25 H TYR 25 5.307 -8.917 -3.708
146 HA TYR 25 HA TYR 25 2.822 -9.381 -2.658
147 HB2 TYR 25 1HB TYR 25 5.227 -8.046 -1.422
148 HB3 TYR 25 2HB TYR 25 3.781 -8.431 -0.495
149 HD1 TYR 25 HD1 TYR 25 2.979 -11.033 -1.297
150 HD2 TYR 25 HD2 TYR 25 6.931 -9.506 -0.902
151 HE1 TYR 25 HE1 TYR 25 3.818 -13.316 -0.929
152 HE2 TYR 25 HE2 TYR 25 7.781 -11.785 -0.534
153 HH TYR 25 HH TYR 25 5.992 -14.296 0.335
154 H LEU 26 H LEU 26 4.314 -6.283 -3.381
155 HA LEU 26 HA LEU 26 2.325 -4.694 -2.101
156 HB2 LEU 26 1HB LEU 26 4.427 -3.688 -2.429
157 HB3 LEU 26 2HB LEU 26 4.455 -4.119 -4.138
158 HG LEU 26 HG LEU 26 2.725 -2.462 -4.595
159 HD11 LEU 26 1HD1 LEU 26 2.940 -1.705 -1.687
160 HD12 LEU 26 2HD1 LEU 26 1.604 -2.617 -2.389
161 HD13 LEU 26 3HD1 LEU 26 1.910 -0.960 -2.910
162 HD21 LEU 26 3HD2 LEU 26 5.296 -1.729 -3.317
163 HD22 LEU 26 1HD2 LEU 26 4.139 -0.431 -3.615
164 HD23 LEU 26 2HD2 LEU 26 4.713 -1.425 -4.954
165 H ILE 27 H ILE 27 3.014 -5.265 -5.557
166 HA ILE 27 HA ILE 27 0.872 -3.985 -6.680
167 HB ILE 27 HB ILE 27 2.058 -6.615 -7.574
168 HG12 ILE 27 1HG1 ILE 27 2.666 -3.832 -8.575
169 HG13 ILE 27 2HG1 ILE 27 3.608 -4.624 -7.317
170 HG21 ILE 27 1HG2 ILE 27 0.607 -4.624 -9.294
171 HG22 ILE 27 2HG2 ILE 27 1.075 -6.278 -9.686
172 HG23 ILE 27 3HG2 ILE 27 -0.213 -5.980 -8.519
173 HD11 ILE 27 3HD1 ILE 27 3.923 -6.511 -9.015
174 HD12 ILE 27 1HD1 ILE 27 3.361 -5.341 -10.209
175 HD13 ILE 27 2HD1 ILE 27 4.812 -5.008 -9.263
176 H VAL 28 H VAL 28 0.925 -7.150 -5.144
177 HA VAL 28 HA VAL 28 -1.702 -7.915 -5.924
178 HB VAL 28 HB VAL 28 -0.026 -8.885 -3.604
179 HG11 VAL 28 1HG1 VAL 28 -1.573 -10.478 -3.147
180 HG12 VAL 28 2HG1 VAL 28 -2.667 -9.255 -3.797
181 HG13 VAL 28 3HG1 VAL 28 -2.120 -10.584 -4.820
182 HG21 VAL 28 3HG2 VAL 28 0.941 -10.416 -4.987
183 HG22 VAL 28 1HG2 VAL 28 -0.450 -10.481 -6.069
184 HG23 VAL 28 2HG2 VAL 28 0.671 -9.123 -6.156
185 H HIS 29 H HIS 29 -0.352 -6.334 -3.064
186 HA HIS 29 HA HIS 29 -2.757 -6.308 -1.564
187 HB2 HIS 29 1HB HIS 29 -0.730 -6.008 -0.363
188 HB3 HIS 29 2HB HIS 29 -0.222 -4.681 -1.404
189 HD1 HIS 29 HD1 HIS 29 -2.634 -5.473 1.378
190 HD2 HIS 29 HD2 HIS 29 -1.116 -2.181 -0.652
191 HE1 HIS 29 HE1 HIS 29 -3.411 -3.465 2.678
192 H GLN 30 H GLN 30 -1.153 -3.799 -3.517
193 HA GLN 30 HA GLN 30 -2.857 -1.698 -3.190
194 HB2 GLN 30 1HB GLN 30 -1.373 -2.657 -5.622
195 HB3 GLN 30 2HB GLN 30 -2.349 -1.195 -5.672
196 HG2 GLN 30 1HG GLN 30 -0.951 -0.549 -3.560
197 HG3 GLN 30 2HG GLN 30 0.182 -1.737 -4.204
198 HE21 GLN 30 1HE2 GLN 30 1.741 -0.200 -4.651
199 HE22 GLN 30 2HE2 GLN 30 1.584 0.935 -5.944
200 H ARG 31 H ARG 31 -3.579 -4.717 -4.630
201 HA ARG 31 HA ARG 31 -5.685 -3.962 -6.348
202 HB2 ARG 31 1HB ARG 31 -5.205 -6.559 -4.875
203 HB3 ARG 31 2HB ARG 31 -6.395 -6.338 -6.151
204 HG2 ARG 31 1HG ARG 31 -4.529 -5.702 -7.679
205 HG3 ARG 31 2HG ARG 31 -3.404 -6.152 -6.396
206 HD2 ARG 31 1HD ARG 31 -3.523 -8.069 -7.709
207 HD3 ARG 31 2HD ARG 31 -4.644 -8.405 -6.390
208 HE ARG 31 HE ARG 31 -6.257 -7.346 -8.260
209 HH11 ARG 31 1HH1 ARG 31 -3.854 -9.862 -8.389
210 HH12 ARG 31 2HH1 ARG 31 -4.651 -10.738 -9.654
211 HH21 ARG 31 1HH2 ARG 31 -7.315 -8.491 -9.926
212 HH22 ARG 31 2HH2 ARG 31 -6.619 -9.957 -10.528
213 H ILE 32 H ILE 32 -5.591 -4.812 -2.922
214 HA ILE 32 HA ILE 32 -8.368 -4.899 -2.483
215 HB ILE 32 HB ILE 32 -7.903 -4.782 -0.155
216 HG12 ILE 32 1HG1 ILE 32 -5.029 -4.102 -0.472
217 HG13 ILE 32 2HG1 ILE 32 -6.181 -2.791 -0.705
218 HG21 ILE 32 1HG2 ILE 32 -5.561 -6.131 -1.493
219 HG22 ILE 32 2HG2 ILE 32 -6.183 -6.474 0.120
220 HG23 ILE 32 3HG2 ILE 32 -7.169 -6.828 -1.298
221 HD11 ILE 32 3HD1 ILE 32 -5.959 -4.528 1.743
222 HD12 ILE 32 1HD1 ILE 32 -5.371 -2.873 1.583
223 HD13 ILE 32 2HD1 ILE 32 -7.102 -3.205 1.512
224 H HIS 33 H HIS 33 -6.477 -2.325 -3.402
225 HA HIS 33 HA HIS 33 -8.251 -0.359 -2.117
226 HB2 HIS 33 1HB HIS 33 -5.481 -0.074 -3.284
227 HB3 HIS 33 2HB HIS 33 -6.473 1.302 -2.811
228 HD1 HIS 33 HD1 HIS 33 -7.336 1.051 -0.151
229 HD2 HIS 33 HD2 HIS 33 -3.837 -0.870 -1.302
230 HE1 HIS 33 HE1 HIS 33 -6.080 0.608 1.982
231 H THR 34 H THR 34 -6.855 -1.357 -5.201
232 HA THR 34 HA THR 34 -7.708 0.557 -6.931
233 HB THR 34 HB THR 34 -8.045 -1.269 -8.627
234 HG1 THR 34 HG1 THR 34 -7.393 -2.932 -6.402
235 HG21 THR 34 3HG2 THR 34 -5.830 -1.261 -8.945
236 HG22 THR 34 1HG2 THR 34 -5.530 -2.104 -7.426
237 HG23 THR 34 2HG2 THR 34 -5.723 -0.351 -7.439
238 H GLY 35 H GLY 35 -9.582 1.189 -7.908
239 HA2 GLY 35 1HA GLY 35 -12.052 0.129 -6.724
240 HA3 GLY 35 2HA GLY 35 -11.879 1.691 -7.511
241 H GLU 36 H GLU 36 -11.553 -1.775 -8.282
242 HA GLU 36 HA GLU 36 -12.981 -1.232 -10.800
243 HB2 GLU 36 1HB GLU 36 -10.414 -1.783 -10.876
244 HB3 GLU 36 2HB GLU 36 -10.962 -3.434 -10.620
245 HG2 GLU 36 1HG GLU 36 -12.565 -2.861 -12.623
246 HG3 GLU 36 2HG GLU 36 -11.326 -1.656 -12.970
247 H LYS 37 H LYS 37 -11.884 -4.033 -8.879
248 HA LYS 37 HA LYS 37 -13.626 -5.944 -9.556
249 HB2 LYS 37 1HB LYS 37 -11.899 -6.028 -7.706
250 HB3 LYS 37 2HB LYS 37 -13.107 -5.308 -6.650
251 HG2 LYS 37 1HG LYS 37 -13.829 -7.770 -8.150
252 HG3 LYS 37 2HG LYS 37 -12.751 -7.909 -6.759
253 HD2 LYS 37 1HD LYS 37 -14.423 -6.730 -5.381
254 HD3 LYS 37 2HD LYS 37 -15.506 -6.675 -6.774
255 HE2 LYS 37 1HE LYS 37 -16.239 -8.524 -5.545
256 HE3 LYS 37 2HE LYS 37 -15.258 -9.220 -6.834
257 HZ1 LYS 37 3HZ LYS 37 -14.710 -10.265 -4.765
258 HZ2 LYS 37 1HZ LYS 37 -14.422 -8.773 -4.021
259 HZ3 LYS 37 2HZ LYS 37 -13.394 -9.318 -5.248
260 H LEU 38 H LEU 38 -14.395 -3.250 -7.389
261 HA LEU 38 HA LEU 38 -16.832 -3.827 -6.419
262 HB2 LEU 38 1HB LEU 38 -15.521 -1.625 -6.348
263 HB3 LEU 38 2HB LEU 38 -16.399 -1.207 -7.818
264 HG LEU 38 HG LEU 38 -17.940 -2.027 -5.398
265 HD11 LEU 38 1HD1 LEU 38 -17.967 0.563 -4.976
266 HD12 LEU 38 2HD1 LEU 38 -16.374 0.483 -5.726
267 HD13 LEU 38 3HD1 LEU 38 -16.711 -0.457 -4.273
268 HD21 LEU 38 3HD2 LEU 38 -18.399 -0.124 -7.691
269 HD22 LEU 38 1HD2 LEU 38 -19.515 -0.354 -6.344
270 HD23 LEU 38 2HD2 LEU 38 -19.163 -1.693 -7.437
271 H SER 39 H SER 39 -18.865 -4.175 -7.113
272 HA SER 39 HA SER 39 -19.327 -4.789 -9.836
273 HB2 SER 39 1HB SER 39 -21.666 -5.155 -9.142
274 HB3 SER 39 2HB SER 39 -20.534 -5.923 -8.029
275 HG SER 39 HG SER 39 -22.261 -3.799 -7.624
276 H GLY 40 H GLY 40 -19.064 -3.076 -11.204
277 HA2 GLY 40 1HA GLY 40 -20.919 -0.809 -10.807
278 HA3 GLY 40 2HA GLY 40 -19.308 -0.613 -11.482
279 HA PRO 41 HA PRO 41 -22.647 -1.464 -14.778
280 HB2 PRO 41 1HB PRO 41 -22.945 1.065 -15.719
281 HB3 PRO 41 2HB PRO 41 -23.944 0.398 -14.422
282 HG2 PRO 41 1HG PRO 41 -21.553 2.190 -14.240
283 HG3 PRO 41 2HG PRO 41 -23.083 2.273 -13.348
284 HD2 PRO 41 1HD PRO 41 -20.826 1.226 -12.278
285 HD3 PRO 41 2HD PRO 41 -22.446 0.634 -11.857
286 H SER 42 H SER 42 -20.733 -2.503 -15.654
287 HA SER 42 HA SER 42 -18.591 -1.178 -16.854
288 HB2 SER 42 1HB SER 42 -19.817 -3.814 -17.701
289 HB3 SER 42 2HB SER 42 -18.183 -3.260 -18.066
290 HG SER 42 HG SER 42 -19.280 -4.030 -15.584
291 H SER 43 H SER 43 -21.678 -2.237 -18.246
292 HA SER 43 HA SER 43 -22.638 -1.839 -20.287
293 HB2 SER 43 1HB SER 43 -21.583 0.868 -19.468
294 HB3 SER 43 2HB SER 43 -22.607 0.642 -20.886
295 HG SER 43 HG SER 43 -24.273 0.451 -19.623
296 H GLY 44 H GLY 44 -20.132 -3.002 -20.594
297 HA2 GLY 44 1HA GLY 44 -19.537 -2.945 -23.187
298 HA3 GLY 44 2HA GLY 44 -18.714 -1.491 -22.642
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