Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
505121 | 2eop RC | 10191 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 14.109 3.003 21.758
2 HA2 GLY 1 1HA GLY 1 12.501 4.475 19.795
3 HA3 GLY 1 2HA GLY 1 14.220 4.128 19.668
4 H SER 2 H SER 2 11.668 3.592 17.995
5 HA SER 2 HA SER 2 11.095 0.922 17.772
6 HB2 SER 2 1HB SER 2 10.310 3.043 16.382
7 HB3 SER 2 2HB SER 2 11.508 2.442 15.236
8 HG SER 2 HG SER 2 10.161 0.342 15.945
9 H SER 3 H SER 3 11.792 -0.621 16.048
10 HA SER 3 HA SER 3 14.684 -0.444 15.529
11 HB2 SER 3 1HB SER 3 15.015 -2.726 16.146
12 HB3 SER 3 2HB SER 3 14.094 -1.988 17.457
13 HG SER 3 HG SER 3 13.335 -3.918 15.611
14 H GLY 4 H GLY 4 15.373 -2.112 13.853
15 HA2 GLY 4 1HA GLY 4 13.305 -2.224 11.746
16 HA3 GLY 4 2HA GLY 4 15.015 -1.974 11.427
17 H SER 5 H SER 5 12.826 -4.121 10.827
18 HA SER 5 HA SER 5 14.661 -6.378 11.181
19 HB2 SER 5 1HB SER 5 11.693 -6.567 11.741
20 HB3 SER 5 2HB SER 5 12.885 -7.856 11.908
21 HG SER 5 HG SER 5 12.145 -6.324 13.797
22 H SER 6 H SER 6 13.757 -8.337 9.888
23 HA SER 6 HA SER 6 12.811 -7.319 7.289
24 HB2 SER 6 1HB SER 6 15.096 -8.115 7.125
25 HB3 SER 6 2HB SER 6 14.658 -9.640 7.894
26 HG SER 6 HG SER 6 13.669 -8.694 5.405
27 H GLY 7 H GLY 7 11.562 -8.846 5.977
28 HA2 GLY 7 1HA GLY 7 9.812 -10.300 5.672
29 HA3 GLY 7 2HA GLY 7 10.462 -11.222 7.019
30 H THR 8 H THR 8 8.148 -8.843 6.019
31 HA THR 8 HA THR 8 7.083 -8.669 8.752
32 HB THR 8 HB THR 8 6.317 -6.992 6.356
33 HG1 THR 8 HG1 THR 8 7.575 -5.419 7.838
34 HG21 THR 8 3HG2 THR 8 5.808 -6.579 9.304
35 HG22 THR 8 1HG2 THR 8 4.614 -7.145 8.137
36 HG23 THR 8 2HG2 THR 8 5.287 -5.521 7.993
37 H GLY 9 H GLY 9 6.128 -9.364 5.407
38 HA2 GLY 9 1HA GLY 9 4.547 -11.490 5.698
39 HA3 GLY 9 2HA GLY 9 3.481 -10.216 6.272
40 H GLU 10 H GLU 10 3.218 -11.978 3.941
41 HA GLU 10 HA GLU 10 3.490 -10.105 1.710
42 HB2 GLU 10 1HB GLU 10 3.095 -13.057 1.938
43 HB3 GLU 10 2HB GLU 10 2.547 -12.244 0.479
44 HG2 GLU 10 1HG GLU 10 4.649 -12.801 -0.163
45 HG3 GLU 10 2HG GLU 10 4.972 -11.221 0.547
46 H LYS 11 H LYS 11 1.830 -8.945 1.008
47 HA LYS 11 HA LYS 11 -0.900 -9.913 1.503
48 HB2 LYS 11 1HB LYS 11 -0.208 -6.999 1.763
49 HB3 LYS 11 2HB LYS 11 -1.646 -7.841 2.326
50 HG2 LYS 11 1HG LYS 11 1.082 -8.382 3.456
51 HG3 LYS 11 2HG LYS 11 0.019 -7.123 4.088
52 HD2 LYS 11 1HD LYS 11 -1.740 -8.929 4.344
53 HD3 LYS 11 2HD LYS 11 -0.457 -10.096 4.016
54 HE2 LYS 11 1HE LYS 11 -0.176 -8.021 6.165
55 HE3 LYS 11 2HE LYS 11 -1.008 -9.546 6.466
56 HZ1 LYS 11 3HZ LYS 11 1.192 -9.913 7.106
57 HZ2 LYS 11 1HZ LYS 11 1.830 -9.119 5.755
58 HZ3 LYS 11 2HZ LYS 11 1.088 -10.628 5.576
59 HA PRO 12 HA PRO 12 -1.679 -8.910 -2.700
60 HB2 PRO 12 1HB PRO 12 -4.314 -8.262 -2.599
61 HB3 PRO 12 2HB PRO 12 -3.726 -9.920 -2.435
62 HG2 PRO 12 1HG PRO 12 -4.553 -7.984 -0.307
63 HG3 PRO 12 2HG PRO 12 -4.917 -9.714 -0.449
64 HD2 PRO 12 1HD PRO 12 -2.978 -8.762 1.184
65 HD3 PRO 12 2HD PRO 12 -2.862 -10.343 0.385
66 H HIS 13 H HIS 13 -1.397 -6.616 -0.391
67 HA HIS 13 HA HIS 13 -1.552 -4.466 -2.349
68 HB2 HIS 13 1HB HIS 13 -3.009 -4.380 0.300
69 HB3 HIS 13 2HB HIS 13 -2.774 -2.992 -0.759
70 HD2 HIS 13 HD2 HIS 13 -5.318 -5.709 -0.164
71 HE1 HIS 13 HE1 HIS 13 -6.059 -4.257 -4.081
72 HE2 HIS 13 HE2 HIS 13 -6.973 -5.589 -2.149
73 H GLU 14 H GLU 14 0.535 -3.885 -2.319
74 HA GLU 14 HA GLU 14 1.843 -3.505 0.288
75 HB2 GLU 14 1HB GLU 14 2.772 -5.016 -1.680
76 HB3 GLU 14 2HB GLU 14 3.376 -3.475 -2.272
77 HG2 GLU 14 1HG GLU 14 4.767 -3.171 -0.430
78 HG3 GLU 14 2HG GLU 14 3.900 -4.363 0.537
79 H CYS 15 H CYS 15 2.972 -1.601 0.734
80 HA CYS 15 HA CYS 15 1.998 0.722 -0.737
81 HB2 CYS 15 1HB CYS 15 1.918 0.481 1.820
82 HB3 CYS 15 2HB CYS 15 3.652 0.784 1.780
83 H ARG 16 H ARG 16 3.241 0.888 -2.556
84 HA ARG 16 HA ARG 16 5.982 0.430 -2.760
85 HB2 ARG 16 1HB ARG 16 4.385 0.701 -4.669
86 HB3 ARG 16 2HB ARG 16 4.386 2.433 -4.364
87 HG2 ARG 16 1HG ARG 16 5.887 2.060 -6.143
88 HG3 ARG 16 2HG ARG 16 6.876 2.383 -4.718
89 HD2 ARG 16 1HD ARG 16 7.030 -0.121 -4.417
90 HD3 ARG 16 2HD ARG 16 6.308 -0.270 -6.019
91 HE ARG 16 HE ARG 16 9.005 0.547 -5.390
92 HH11 ARG 16 1HH1 ARG 16 6.462 0.527 -7.769
93 HH12 ARG 16 2HH1 ARG 16 7.537 0.743 -9.110
94 HH21 ARG 16 1HH2 ARG 16 10.430 0.832 -7.148
95 HH22 ARG 16 2HH2 ARG 16 9.794 0.916 -8.756
96 H GLU 17 H GLU 17 4.368 2.884 -1.111
97 HA GLU 17 HA GLU 17 6.261 4.992 -1.451
98 HB2 GLU 17 1HB GLU 17 4.203 4.537 0.716
99 HB3 GLU 17 2HB GLU 17 5.110 6.025 0.482
100 HG2 GLU 17 1HG GLU 17 3.447 4.897 -1.730
101 HG3 GLU 17 2HG GLU 17 2.710 5.848 -0.441
102 H CYS 18 H CYS 18 5.580 2.801 1.279
103 HA CYS 18 HA CYS 18 8.327 3.283 2.229
104 HB2 CYS 18 1HB CYS 18 7.495 2.627 4.470
105 HB3 CYS 18 2HB CYS 18 6.676 4.050 3.835
106 H GLY 19 H GLY 19 5.823 0.818 1.782
107 HA2 GLY 19 1HA GLY 19 6.745 -1.258 0.699
108 HA3 GLY 19 2HA GLY 19 7.935 -1.238 1.993
109 H LYS 20 H LYS 20 4.926 -0.176 3.064
110 HA LYS 20 HA LYS 20 4.591 -2.381 4.806
111 HB2 LYS 20 1HB LYS 20 3.033 0.074 4.149
112 HB3 LYS 20 2HB LYS 20 2.205 -1.222 5.002
113 HG2 LYS 20 1HG LYS 20 4.248 -1.125 6.600
114 HG3 LYS 20 2HG LYS 20 4.488 0.478 5.900
115 HD2 LYS 20 1HD LYS 20 2.543 1.309 6.800
116 HD3 LYS 20 2HD LYS 20 1.771 -0.277 6.869
117 HE2 LYS 20 1HE LYS 20 2.207 0.208 9.101
118 HE3 LYS 20 2HE LYS 20 3.557 -0.828 8.640
119 HZ1 LYS 20 3HZ LYS 20 4.841 0.788 9.433
120 HZ2 LYS 20 1HZ LYS 20 3.569 1.902 9.500
121 HZ3 LYS 20 2HZ LYS 20 4.427 1.685 8.059
122 H SER 21 H SER 21 2.321 -3.452 4.953
123 HA SER 21 HA SER 21 1.240 -4.130 2.329
124 HB2 SER 21 1HB SER 21 1.539 -6.487 2.572
125 HB3 SER 21 2HB SER 21 3.109 -5.751 2.891
126 HG SER 21 HG SER 21 2.970 -6.298 4.950
127 H PHE 22 H PHE 22 -0.906 -4.446 2.369
128 HA PHE 22 HA PHE 22 -2.196 -4.886 4.977
129 HB2 PHE 22 1HB PHE 22 -3.252 -3.064 2.807
130 HB3 PHE 22 2HB PHE 22 -3.951 -3.321 4.403
131 HD1 PHE 22 HD2 PHE 22 -0.874 -2.086 2.722
132 HD2 PHE 22 HD1 PHE 22 -3.384 -1.920 6.156
133 HE1 PHE 22 HE2 PHE 22 0.456 -0.211 3.600
134 HE2 PHE 22 HE1 PHE 22 -2.058 -0.045 7.039
135 HZ PHE 22 HZ PHE 22 -0.134 0.811 5.761
136 H SER 23 H SER 23 -3.509 -6.584 5.012
137 HA SER 23 HA SER 23 -3.861 -8.330 2.890
138 HB2 SER 23 1HB SER 23 -5.184 -7.957 5.534
139 HB3 SER 23 2HB SER 23 -5.984 -9.006 4.363
140 HG SER 23 HG SER 23 -4.318 -9.929 5.879
141 H PHE 24 H PHE 24 -5.623 -5.461 3.708
142 HA PHE 24 HA PHE 24 -7.476 -5.994 1.480
143 HB2 PHE 24 1HB PHE 24 -7.946 -4.696 4.145
144 HB3 PHE 24 2HB PHE 24 -8.953 -4.272 2.766
145 HD1 PHE 24 HD2 PHE 24 -7.601 -7.398 4.300
146 HD2 PHE 24 HD1 PHE 24 -10.960 -5.359 2.663
147 HE1 PHE 24 HE2 PHE 24 -9.003 -9.375 4.722
148 HE2 PHE 24 HE1 PHE 24 -12.367 -7.332 3.084
149 HZ PHE 24 HZ PHE 24 -11.389 -9.345 4.113
150 H ASN 25 H ASN 25 -8.064 -4.211 0.163
151 HA ASN 25 HA ASN 25 -5.926 -2.419 -0.368
152 HB2 ASN 25 1HB ASN 25 -7.351 -3.227 -2.168
153 HB3 ASN 25 2HB ASN 25 -8.760 -2.474 -1.428
154 HD21 ASN 25 1HD2 ASN 25 -5.572 -1.743 -2.761
155 HD22 ASN 25 2HD2 ASN 25 -5.994 -0.188 -3.383
156 H SER 26 H SER 26 -9.295 -1.767 0.619
157 HA SER 26 HA SER 26 -9.333 0.877 0.997
158 HB2 SER 26 1HB SER 26 -10.836 0.543 2.937
159 HB3 SER 26 2HB SER 26 -11.222 -0.548 1.606
160 HG SER 26 HG SER 26 -9.781 -1.162 3.971
161 H GLN 27 H GLN 27 -7.652 -1.409 3.084
162 HA GLN 27 HA GLN 27 -6.927 0.434 5.100
163 HB2 GLN 27 1HB GLN 27 -5.528 -2.113 4.265
164 HB3 GLN 27 2HB GLN 27 -5.280 -1.254 5.779
165 HG2 GLN 27 1HG GLN 27 -7.744 -1.620 6.229
166 HG3 GLN 27 2HG GLN 27 -7.721 -2.740 4.867
167 HE21 GLN 27 1HE2 GLN 27 -5.710 -2.047 7.713
168 HE22 GLN 27 2HE2 GLN 27 -5.541 -3.694 8.204
169 H LEU 28 H LEU 28 -4.844 -1.029 2.596
170 HA LEU 28 HA LEU 28 -2.607 0.500 2.912
171 HB2 LEU 28 1HB LEU 28 -2.566 -1.297 1.375
172 HB3 LEU 28 2HB LEU 28 -3.863 -0.594 0.411
173 HG LEU 28 HG LEU 28 -2.345 1.171 -0.344
174 HD11 LEU 28 1HD1 LEU 28 -0.899 1.326 1.588
175 HD12 LEU 28 2HD1 LEU 28 0.060 0.995 0.145
176 HD13 LEU 28 3HD1 LEU 28 -0.283 -0.301 1.291
177 HD21 LEU 28 3HD2 LEU 28 -0.958 -1.455 -0.768
178 HD22 LEU 28 1HD2 LEU 28 -1.177 -0.120 -1.900
179 HD23 LEU 28 2HD2 LEU 28 -2.551 -1.131 -1.452
180 H ILE 29 H ILE 29 -5.627 1.432 1.427
181 HA ILE 29 HA ILE 29 -4.677 3.806 0.181
182 HB ILE 29 HB ILE 29 -7.504 3.294 1.093
183 HG12 ILE 29 1HG1 ILE 29 -6.267 1.469 -0.359
184 HG13 ILE 29 2HG1 ILE 29 -7.918 1.950 -0.737
185 HG21 ILE 29 1HG2 ILE 29 -6.322 4.981 -1.107
186 HG22 ILE 29 2HG2 ILE 29 -8.047 4.699 -0.877
187 HG23 ILE 29 3HG2 ILE 29 -7.120 5.552 0.358
188 HD11 ILE 29 3HD1 ILE 29 -5.405 2.880 -2.100
189 HD12 ILE 29 1HD1 ILE 29 -6.651 1.822 -2.760
190 HD13 ILE 29 2HD1 ILE 29 -7.017 3.515 -2.428
191 H VAL 30 H VAL 30 -6.216 3.124 3.297
192 HA VAL 30 HA VAL 30 -6.387 5.830 4.133
193 HB VAL 30 HB VAL 30 -6.349 3.298 5.781
194 HG11 VAL 30 1HG1 VAL 30 -7.578 4.859 7.425
195 HG12 VAL 30 2HG1 VAL 30 -5.820 4.968 7.313
196 HG13 VAL 30 3HG1 VAL 30 -6.833 6.165 6.504
197 HG21 VAL 30 3HG2 VAL 30 -8.445 2.989 5.116
198 HG22 VAL 30 1HG2 VAL 30 -8.882 4.600 5.686
199 HG23 VAL 30 2HG2 VAL 30 -8.299 4.376 4.036
200 H HIS 31 H HIS 31 -3.846 3.477 4.153
201 HA HIS 31 HA HIS 31 -2.244 4.848 6.121
202 HB2 HIS 31 1HB HIS 31 -1.829 2.553 6.107
203 HB3 HIS 31 2HB HIS 31 -1.839 2.461 4.348
204 HD1 HIS 31 HD1 HIS 31 0.347 3.686 7.184
205 HD2 HIS 31 HD2 HIS 31 0.622 2.645 3.171
206 HE1 HIS 31 HE1 HIS 31 2.806 3.689 6.655
207 H GLN 32 H GLN 32 -2.094 4.352 2.602
208 HA GLN 32 HA GLN 32 0.214 5.749 2.036
209 HB2 GLN 32 1HB GLN 32 -2.324 5.330 0.492
210 HB3 GLN 32 2HB GLN 32 -1.033 6.321 -0.173
211 HG2 GLN 32 1HG GLN 32 0.437 4.228 0.419
212 HG3 GLN 32 2HG GLN 32 -1.114 3.394 0.330
213 HE21 GLN 32 1HE2 GLN 32 -0.388 2.233 -1.479
214 HE22 GLN 32 2HE2 GLN 32 -0.298 2.962 -3.042
215 H ARG 33 H ARG 33 -2.852 6.962 3.058
216 HA ARG 33 HA ARG 33 -2.681 9.598 2.097
217 HB2 ARG 33 1HB ARG 33 -3.968 8.845 4.713
218 HB3 ARG 33 2HB ARG 33 -4.436 10.117 3.593
219 HG2 ARG 33 1HG ARG 33 -4.825 8.105 1.958
220 HG3 ARG 33 2HG ARG 33 -4.948 7.191 3.462
221 HD2 ARG 33 1HD ARG 33 -7.141 7.951 2.717
222 HD3 ARG 33 2HD ARG 33 -6.695 8.708 4.245
223 HE ARG 33 HE ARG 33 -6.795 10.733 3.204
224 HH11 ARG 33 1HH1 ARG 33 -6.420 8.258 0.784
225 HH12 ARG 33 2HH1 ARG 33 -6.593 9.352 -0.548
226 HH21 ARG 33 1HH2 ARG 33 -7.025 12.183 1.458
227 HH22 ARG 33 2HH2 ARG 33 -6.936 11.584 -0.164
228 H ILE 34 H ILE 34 -0.701 8.015 4.255
229 HA ILE 34 HA ILE 34 -0.123 10.307 5.939
230 HB ILE 34 HB ILE 34 1.305 8.921 7.180
231 HG12 ILE 34 1HG1 ILE 34 1.291 6.971 4.866
232 HG13 ILE 34 2HG1 ILE 34 2.615 8.054 5.279
233 HG21 ILE 34 1HG2 ILE 34 -1.218 7.739 6.264
234 HG22 ILE 34 2HG2 ILE 34 -0.105 6.607 7.029
235 HG23 ILE 34 3HG2 ILE 34 -0.634 8.047 7.899
236 HD11 ILE 34 3HD1 ILE 34 3.247 5.994 6.150
237 HD12 ILE 34 1HD1 ILE 34 2.626 6.879 7.544
238 HD13 ILE 34 2HD1 ILE 34 1.629 5.651 6.762
239 H HIS 35 H HIS 35 1.097 8.804 3.067
240 HA HIS 35 HA HIS 35 3.667 10.107 3.168
241 HB2 HIS 35 1HB HIS 35 2.271 8.561 0.977
242 HB3 HIS 35 2HB HIS 35 3.906 9.203 0.843
243 HD1 HIS 35 HD1 HIS 35 5.557 8.275 2.879
244 HD2 HIS 35 HD2 HIS 35 2.211 6.020 1.889
245 HE1 HIS 35 HE1 HIS 35 6.007 5.971 3.782
246 H THR 36 H THR 36 0.852 10.353 0.988
247 HA THR 36 HA THR 36 1.803 12.811 -0.154
248 HB THR 36 HB THR 36 0.517 11.340 -1.565
249 HG1 THR 36 HG1 THR 36 0.105 13.843 -1.387
250 HG21 THR 36 3HG2 THR 36 -2.093 11.741 -0.348
251 HG22 THR 36 1HG2 THR 36 -0.995 10.843 0.699
252 HG23 THR 36 2HG2 THR 36 -1.337 10.259 -0.930
253 H GLY 37 H GLY 37 -0.380 11.895 2.407
254 HA2 GLY 37 1HA GLY 37 -1.943 14.165 2.676
255 HA3 GLY 37 2HA GLY 37 -1.430 13.151 4.017
256 H GLU 38 H GLU 38 1.233 13.555 4.173
257 HA GLU 38 HA GLU 38 1.450 16.458 4.632
258 HB2 GLU 38 1HB GLU 38 3.095 15.785 6.456
259 HB3 GLU 38 2HB GLU 38 1.395 15.459 6.767
260 HG2 GLU 38 1HG GLU 38 1.657 13.201 6.648
261 HG3 GLU 38 2HG GLU 38 3.017 13.305 5.532
262 H ASN 39 H ASN 39 3.945 16.977 5.010
263 HA ASN 39 HA ASN 39 5.330 15.933 2.632
264 HB2 ASN 39 1HB ASN 39 5.791 18.553 4.075
265 HB3 ASN 39 2HB ASN 39 6.557 18.038 2.575
266 HD21 ASN 39 1HD2 ASN 39 5.042 17.545 0.770
267 HD22 ASN 39 2HD2 ASN 39 3.669 18.577 0.581
268 HA PRO 40 HA PRO 40 7.721 14.326 6.259
269 HB2 PRO 40 1HB PRO 40 8.164 11.880 5.168
270 HB3 PRO 40 2HB PRO 40 6.705 12.272 6.087
271 HG2 PRO 40 1HG PRO 40 7.108 12.176 3.122
272 HG3 PRO 40 2HG PRO 40 5.748 11.572 4.086
273 HD2 PRO 40 1HD PRO 40 5.652 13.922 2.745
274 HD3 PRO 40 2HD PRO 40 4.790 13.659 4.275
275 H SER 41 H SER 41 9.831 12.729 5.801
276 HA SER 41 HA SER 41 11.663 14.483 4.458
277 HB2 SER 41 1HB SER 41 11.977 11.865 5.920
278 HB3 SER 41 2HB SER 41 13.330 12.635 5.091
279 HG SER 41 HG SER 41 12.381 13.168 7.503
280 H GLY 42 H GLY 42 11.290 14.489 2.275
281 HA2 GLY 42 1HA GLY 42 11.182 13.707 0.110
282 HA3 GLY 42 2HA GLY 42 12.553 12.729 0.615
283 HA PRO 43 HA PRO 43 8.484 10.091 1.045
284 HB2 PRO 43 1HB PRO 43 6.437 10.936 -0.525
285 HB3 PRO 43 2HB PRO 43 6.642 11.459 1.151
286 HG2 PRO 43 1HG PRO 43 7.385 12.875 -1.380
287 HG3 PRO 43 2HG PRO 43 6.618 13.524 0.081
288 HD2 PRO 43 1HD PRO 43 9.258 13.833 -0.438
289 HD3 PRO 43 2HD PRO 43 8.620 13.686 1.213
290 H SER 44 H SER 44 8.718 11.720 -2.125
291 HA SER 44 HA SER 44 9.684 9.274 -3.341
292 HB2 SER 44 1HB SER 44 7.939 9.068 -4.980
293 HB3 SER 44 2HB SER 44 7.169 9.114 -3.394
294 HG SER 44 HG SER 44 6.090 10.753 -4.114
295 H SER 45 H SER 45 10.285 9.613 -5.638
296 HA SER 45 HA SER 45 11.476 12.247 -5.937
297 HB2 SER 45 1HB SER 45 12.761 10.107 -6.330
298 HB3 SER 45 2HB SER 45 11.777 9.863 -7.773
299 HG SER 45 HG SER 45 13.730 11.808 -7.250
300 H GLY 46 H GLY 46 9.475 10.055 -7.917
301 HA2 GLY 46 1HA GLY 46 8.292 12.444 -9.174
302 HA3 GLY 46 2HA GLY 46 8.876 11.121 -10.173
Start of MODEL 2
1 H1 GLY 1 H GLY 1 24.252 -0.170 7.452
2 HA2 GLY 1 1HA GLY 1 22.677 1.537 8.836
3 HA3 GLY 1 2HA GLY 1 23.044 2.455 7.383
4 H SER 2 H SER 2 22.011 -0.842 8.270
5 HA SER 2 HA SER 2 20.026 -0.680 6.098
6 HB2 SER 2 1HB SER 2 21.997 -2.267 5.715
7 HB3 SER 2 2HB SER 2 21.314 -3.252 7.008
8 HG SER 2 HG SER 2 20.586 -3.911 4.937
9 H SER 3 H SER 3 18.055 -0.568 6.926
10 HA SER 3 HA SER 3 17.472 -1.422 9.603
11 HB2 SER 3 1HB SER 3 15.694 -0.360 7.396
12 HB3 SER 3 2HB SER 3 15.141 -0.697 9.036
13 HG SER 3 HG SER 3 17.396 0.882 8.865
14 H GLY 4 H GLY 4 16.364 -2.441 6.371
15 HA2 GLY 4 1HA GLY 4 16.224 -4.793 5.833
16 HA3 GLY 4 2HA GLY 4 15.827 -5.104 7.516
17 H SER 5 H SER 5 13.937 -6.214 7.053
18 HA SER 5 HA SER 5 11.655 -4.515 6.482
19 HB2 SER 5 1HB SER 5 12.134 -7.010 4.837
20 HB3 SER 5 2HB SER 5 10.771 -5.900 4.699
21 HG SER 5 HG SER 5 11.974 -4.545 3.607
22 H SER 6 H SER 6 10.512 -4.887 8.269
23 HA SER 6 HA SER 6 10.544 -7.396 9.644
24 HB2 SER 6 1HB SER 6 8.894 -4.891 10.013
25 HB3 SER 6 2HB SER 6 8.756 -6.303 11.060
26 HG SER 6 HG SER 6 10.597 -5.811 11.974
27 H GLY 7 H GLY 7 9.063 -9.016 9.655
28 HA2 GLY 7 1HA GLY 7 7.000 -10.056 9.230
29 HA3 GLY 7 2HA GLY 7 6.527 -8.670 8.257
30 H THR 8 H THR 8 7.389 -11.859 8.144
31 HA THR 8 HA THR 8 8.774 -11.807 5.606
32 HB THR 8 HB THR 8 8.561 -14.303 5.730
33 HG1 THR 8 HG1 THR 8 7.731 -15.182 7.648
34 HG21 THR 8 3HG2 THR 8 10.588 -13.862 6.607
35 HG22 THR 8 1HG2 THR 8 9.823 -14.248 8.147
36 HG23 THR 8 2HG2 THR 8 9.971 -12.568 7.632
37 H GLY 9 H GLY 9 5.562 -12.726 6.802
38 HA2 GLY 9 1HA GLY 9 4.436 -13.804 4.540
39 HA3 GLY 9 2HA GLY 9 3.544 -12.835 5.704
40 H GLU 10 H GLU 10 2.614 -12.685 3.248
41 HA GLU 10 HA GLU 10 3.480 -10.027 2.348
42 HB2 GLU 10 1HB GLU 10 4.254 -12.079 0.903
43 HB3 GLU 10 2HB GLU 10 2.592 -12.051 0.330
44 HG2 GLU 10 1HG GLU 10 2.837 -9.989 -0.687
45 HG3 GLU 10 2HG GLU 10 4.234 -9.558 0.296
46 H LYS 11 H LYS 11 1.819 -8.972 0.941
47 HA LYS 11 HA LYS 11 -0.910 -9.891 1.507
48 HB2 LYS 11 1HB LYS 11 -0.186 -6.984 1.760
49 HB3 LYS 11 2HB LYS 11 -1.624 -7.812 2.342
50 HG2 LYS 11 1HG LYS 11 1.123 -8.352 3.434
51 HG3 LYS 11 2HG LYS 11 0.044 -7.121 4.094
52 HD2 LYS 11 1HD LYS 11 -1.440 -8.671 4.920
53 HD3 LYS 11 2HD LYS 11 -0.988 -9.895 3.731
54 HE2 LYS 11 1HE LYS 11 0.004 -10.772 5.593
55 HE3 LYS 11 2HE LYS 11 1.324 -9.769 4.994
56 HZ1 LYS 11 3HZ LYS 11 1.088 -9.381 7.315
57 HZ2 LYS 11 1HZ LYS 11 -0.576 -9.108 7.174
58 HZ3 LYS 11 2HZ LYS 11 0.521 -8.001 6.517
59 HA PRO 12 HA PRO 12 -1.734 -8.876 -2.685
60 HB2 PRO 12 1HB PRO 12 -4.361 -8.204 -2.549
61 HB3 PRO 12 2HB PRO 12 -3.786 -9.868 -2.395
62 HG2 PRO 12 1HG PRO 12 -4.567 -7.927 -0.254
63 HG3 PRO 12 2HG PRO 12 -4.949 -9.653 -0.393
64 HD2 PRO 12 1HD PRO 12 -2.980 -8.722 1.216
65 HD3 PRO 12 2HD PRO 12 -2.890 -10.302 0.413
66 H HIS 13 H HIS 13 -1.398 -6.588 -0.378
67 HA HIS 13 HA HIS 13 -1.554 -4.434 -2.331
68 HB2 HIS 13 1HB HIS 13 -2.987 -4.335 0.331
69 HB3 HIS 13 2HB HIS 13 -2.752 -2.951 -0.733
70 HD2 HIS 13 HD2 HIS 13 -5.310 -5.649 -0.111
71 HE1 HIS 13 HE1 HIS 13 -6.078 -4.195 -4.022
72 HE2 HIS 13 HE2 HIS 13 -6.982 -5.519 -2.080
73 H GLU 14 H GLU 14 0.538 -3.871 -2.316
74 HA GLU 14 HA GLU 14 1.872 -3.510 0.280
75 HB2 GLU 14 1HB GLU 14 2.771 -5.016 -1.707
76 HB3 GLU 14 2HB GLU 14 3.381 -3.475 -2.294
77 HG2 GLU 14 1HG GLU 14 4.800 -3.199 -0.476
78 HG3 GLU 14 2HG GLU 14 3.923 -4.370 0.507
79 H CYS 15 H CYS 15 2.982 -1.611 0.745
80 HA CYS 15 HA CYS 15 2.028 0.723 -0.721
81 HB2 CYS 15 1HB CYS 15 1.929 0.477 1.830
82 HB3 CYS 15 2HB CYS 15 3.667 0.757 1.807
83 H ARG 16 H ARG 16 3.280 0.901 -2.532
84 HA ARG 16 HA ARG 16 6.027 0.436 -2.714
85 HB2 ARG 16 1HB ARG 16 4.586 0.623 -4.679
86 HB3 ARG 16 2HB ARG 16 4.309 2.324 -4.332
87 HG2 ARG 16 1HG ARG 16 5.917 2.105 -6.108
88 HG3 ARG 16 2HG ARG 16 6.706 2.761 -4.672
89 HD2 ARG 16 1HD ARG 16 6.720 -0.187 -5.102
90 HD3 ARG 16 2HD ARG 16 7.803 0.816 -6.068
91 HE ARG 16 HE ARG 16 8.094 1.559 -3.393
92 HH11 ARG 16 1HH1 ARG 16 8.695 -1.187 -5.447
93 HH12 ARG 16 2HH1 ARG 16 10.035 -1.760 -4.510
94 HH21 ARG 16 1HH2 ARG 16 9.856 0.814 -2.151
95 HH22 ARG 16 2HH2 ARG 16 10.694 -0.621 -2.635
96 H GLU 17 H GLU 17 4.394 2.889 -1.087
97 HA GLU 17 HA GLU 17 6.273 5.009 -1.431
98 HB2 GLU 17 1HB GLU 17 4.231 4.552 0.752
99 HB3 GLU 17 2HB GLU 17 5.110 6.050 0.480
100 HG2 GLU 17 1HG GLU 17 3.495 4.885 -1.734
101 HG3 GLU 17 2HG GLU 17 2.685 5.745 -0.426
102 H CYS 18 H CYS 18 5.591 2.861 1.337
103 HA CYS 18 HA CYS 18 8.338 3.357 2.278
104 HB2 CYS 18 1HB CYS 18 7.513 2.712 4.519
105 HB3 CYS 18 2HB CYS 18 6.661 4.110 3.871
106 H GLY 19 H GLY 19 5.863 0.865 1.828
107 HA2 GLY 19 1HA GLY 19 6.803 -1.206 0.757
108 HA3 GLY 19 2HA GLY 19 7.998 -1.167 2.044
109 H LYS 20 H LYS 20 4.902 -0.163 3.017
110 HA LYS 20 HA LYS 20 4.624 -2.364 4.803
111 HB2 LYS 20 1HB LYS 20 3.045 0.081 4.157
112 HB3 LYS 20 2HB LYS 20 2.232 -1.223 5.012
113 HG2 LYS 20 1HG LYS 20 4.202 -1.129 6.644
114 HG3 LYS 20 2HG LYS 20 4.570 0.428 5.897
115 HD2 LYS 20 1HD LYS 20 2.643 1.415 6.697
116 HD3 LYS 20 2HD LYS 20 1.792 -0.124 6.847
117 HE2 LYS 20 1HE LYS 20 2.269 0.619 9.050
118 HE3 LYS 20 2HE LYS 20 3.383 -0.703 8.704
119 HZ1 LYS 20 3HZ LYS 20 4.697 1.562 7.894
120 HZ2 LYS 20 1HZ LYS 20 4.992 0.679 9.307
121 HZ3 LYS 20 2HZ LYS 20 3.953 2.013 9.345
122 H SER 21 H SER 21 2.318 -3.407 4.948
123 HA SER 21 HA SER 21 1.254 -4.099 2.324
124 HB2 SER 21 1HB SER 21 1.555 -6.457 2.567
125 HB3 SER 21 2HB SER 21 3.125 -5.718 2.883
126 HG SER 21 HG SER 21 2.525 -7.334 4.432
127 H PHE 22 H PHE 22 -0.892 -4.413 2.364
128 HA PHE 22 HA PHE 22 -2.181 -4.852 4.973
129 HB2 PHE 22 1HB PHE 22 -3.239 -3.047 2.790
130 HB3 PHE 22 2HB PHE 22 -3.945 -3.301 4.383
131 HD1 PHE 22 HD2 PHE 22 -0.854 -2.069 2.723
132 HD2 PHE 22 HD1 PHE 22 -3.407 -1.877 6.124
133 HE1 PHE 22 HE2 PHE 22 0.462 -0.185 3.601
134 HE2 PHE 22 HE1 PHE 22 -2.095 0.008 7.007
135 HZ PHE 22 HZ PHE 22 -0.157 0.856 5.745
136 H SER 23 H SER 23 -3.523 -6.530 5.022
137 HA SER 23 HA SER 23 -3.845 -8.325 2.945
138 HB2 SER 23 1HB SER 23 -5.680 -9.305 4.279
139 HB3 SER 23 2HB SER 23 -4.281 -8.915 5.280
140 HG SER 23 HG SER 23 -5.517 -6.817 5.582
141 H PHE 24 H PHE 24 -5.735 -5.494 3.747
142 HA PHE 24 HA PHE 24 -7.447 -6.026 1.408
143 HB2 PHE 24 1HB PHE 24 -8.054 -4.726 4.047
144 HB3 PHE 24 2HB PHE 24 -9.018 -4.350 2.623
145 HD1 PHE 24 HD2 PHE 24 -7.581 -7.496 4.028
146 HD2 PHE 24 HD1 PHE 24 -11.042 -5.416 2.684
147 HE1 PHE 24 HE2 PHE 24 -8.939 -9.509 4.423
148 HE2 PHE 24 HE1 PHE 24 -12.407 -7.425 3.077
149 HZ PHE 24 HZ PHE 24 -11.355 -9.476 3.947
150 H ASN 25 H ASN 25 -8.097 -4.180 0.148
151 HA ASN 25 HA ASN 25 -5.942 -2.391 -0.351
152 HB2 ASN 25 1HB ASN 25 -7.396 -3.190 -2.155
153 HB3 ASN 25 2HB ASN 25 -8.773 -2.373 -1.421
154 HD21 ASN 25 1HD2 ASN 25 -5.483 -1.690 -2.553
155 HD22 ASN 25 2HD2 ASN 25 -5.860 -0.157 -3.256
156 H SER 26 H SER 26 -9.321 -1.728 0.590
157 HA SER 26 HA SER 26 -9.359 0.897 1.030
158 HB2 SER 26 1HB SER 26 -10.849 0.518 2.990
159 HB3 SER 26 2HB SER 26 -11.259 -0.502 1.611
160 HG SER 26 HG SER 26 -9.694 -1.301 3.842
161 H GLN 27 H GLN 27 -7.683 -1.419 3.086
162 HA GLN 27 HA GLN 27 -6.963 0.397 5.130
163 HB2 GLN 27 1HB GLN 27 -5.544 -2.132 4.278
164 HB3 GLN 27 2HB GLN 27 -5.346 -1.302 5.815
165 HG2 GLN 27 1HG GLN 27 -7.712 -1.744 6.329
166 HG3 GLN 27 2HG GLN 27 -7.850 -2.639 4.816
167 HE21 GLN 27 1HE2 GLN 27 -5.337 -2.551 7.313
168 HE22 GLN 27 2HE2 GLN 27 -5.362 -4.246 7.643
169 H LEU 28 H LEU 28 -4.844 -1.063 2.657
170 HA LEU 28 HA LEU 28 -2.619 0.474 2.993
171 HB2 LEU 28 1HB LEU 28 -2.564 -1.329 1.459
172 HB3 LEU 28 2HB LEU 28 -3.839 -0.619 0.472
173 HG LEU 28 HG LEU 28 -2.287 1.155 -0.229
174 HD11 LEU 28 1HD1 LEU 28 -0.218 -0.411 1.306
175 HD12 LEU 28 2HD1 LEU 28 -0.868 1.160 1.773
176 HD13 LEU 28 3HD1 LEU 28 0.076 1.002 0.292
177 HD21 LEU 28 3HD2 LEU 28 -2.542 -1.084 -1.415
178 HD22 LEU 28 1HD2 LEU 28 -0.993 -1.517 -0.691
179 HD23 LEU 28 2HD2 LEU 28 -1.099 -0.139 -1.788
180 H ILE 29 H ILE 29 -5.623 1.396 1.467
181 HA ILE 29 HA ILE 29 -4.668 3.766 0.223
182 HB ILE 29 HB ILE 29 -7.500 3.255 1.124
183 HG12 ILE 29 1HG1 ILE 29 -6.254 1.432 -0.321
184 HG13 ILE 29 2HG1 ILE 29 -7.904 1.910 -0.706
185 HG21 ILE 29 1HG2 ILE 29 -8.050 4.670 -0.822
186 HG22 ILE 29 2HG2 ILE 29 -7.086 5.517 0.386
187 HG23 ILE 29 3HG2 ILE 29 -6.327 4.928 -1.093
188 HD11 ILE 29 3HD1 ILE 29 -6.632 1.782 -2.725
189 HD12 ILE 29 1HD1 ILE 29 -7.000 3.475 -2.395
190 HD13 ILE 29 2HD1 ILE 29 -5.388 2.841 -2.062
191 H VAL 30 H VAL 30 -6.203 3.093 3.340
192 HA VAL 30 HA VAL 30 -6.397 5.799 4.166
193 HB VAL 30 HB VAL 30 -6.342 3.258 5.798
194 HG11 VAL 30 1HG1 VAL 30 -7.487 4.788 7.509
195 HG12 VAL 30 2HG1 VAL 30 -5.737 4.916 7.328
196 HG13 VAL 30 3HG1 VAL 30 -6.791 6.118 6.584
197 HG21 VAL 30 3HG2 VAL 30 -8.413 4.712 4.311
198 HG22 VAL 30 1HG2 VAL 30 -8.347 3.022 4.811
199 HG23 VAL 30 2HG2 VAL 30 -8.864 4.261 5.955
200 H HIS 31 H HIS 31 -3.826 3.480 4.177
201 HA HIS 31 HA HIS 31 -2.229 4.890 6.125
202 HB2 HIS 31 1HB HIS 31 -1.783 2.604 6.152
203 HB3 HIS 31 2HB HIS 31 -1.822 2.474 4.396
204 HD1 HIS 31 HD1 HIS 31 0.400 3.797 7.161
205 HD2 HIS 31 HD2 HIS 31 0.619 2.632 3.179
206 HE1 HIS 31 HE1 HIS 31 2.850 3.803 6.592
207 H GLN 32 H GLN 32 -2.099 4.345 2.613
208 HA GLN 32 HA GLN 32 0.196 5.745 2.008
209 HB2 GLN 32 1HB GLN 32 -2.353 5.289 0.494
210 HB3 GLN 32 2HB GLN 32 -1.079 6.286 -0.195
211 HG2 GLN 32 1HG GLN 32 0.421 4.218 0.398
212 HG3 GLN 32 2HG GLN 32 -1.120 3.364 0.347
213 HE21 GLN 32 1HE2 GLN 32 -0.344 2.190 -1.453
214 HE22 GLN 32 2HE2 GLN 32 -0.315 2.896 -3.030
215 H ARG 33 H ARG 33 -2.877 6.958 3.024
216 HA ARG 33 HA ARG 33 -2.726 9.581 2.034
217 HB2 ARG 33 1HB ARG 33 -3.967 8.974 4.694
218 HB3 ARG 33 2HB ARG 33 -4.515 10.077 3.439
219 HG2 ARG 33 1HG ARG 33 -4.924 7.981 2.032
220 HG3 ARG 33 2HG ARG 33 -4.762 7.094 3.549
221 HD2 ARG 33 1HD ARG 33 -6.695 9.362 3.090
222 HD3 ARG 33 2HD ARG 33 -7.111 7.654 2.953
223 HE ARG 33 HE ARG 33 -5.940 8.341 5.481
224 HH11 ARG 33 1HH1 ARG 33 -8.895 8.226 3.645
225 HH12 ARG 33 2HH1 ARG 33 -9.914 8.130 5.043
226 HH21 ARG 33 1HH2 ARG 33 -7.270 8.214 7.330
227 HH22 ARG 33 2HH2 ARG 33 -8.988 8.124 7.139
228 H ILE 34 H ILE 34 -0.722 8.037 4.205
229 HA ILE 34 HA ILE 34 -0.140 10.348 5.854
230 HB ILE 34 HB ILE 34 1.327 8.988 7.080
231 HG12 ILE 34 1HG1 ILE 34 1.292 7.010 4.790
232 HG13 ILE 34 2HG1 ILE 34 2.606 8.125 5.147
233 HG21 ILE 34 1HG2 ILE 34 -1.201 7.780 6.218
234 HG22 ILE 34 2HG2 ILE 34 -0.063 6.655 6.957
235 HG23 ILE 34 3HG2 ILE 34 -0.584 8.089 7.841
236 HD11 ILE 34 3HD1 ILE 34 3.286 6.075 6.026
237 HD12 ILE 34 1HD1 ILE 34 2.724 6.995 7.421
238 HD13 ILE 34 2HD1 ILE 34 1.699 5.743 6.718
239 H HIS 35 H HIS 35 1.151 8.742 3.039
240 HA HIS 35 HA HIS 35 3.668 10.122 3.078
241 HB2 HIS 35 1HB HIS 35 2.282 8.515 0.925
242 HB3 HIS 35 2HB HIS 35 3.904 9.183 0.765
243 HD1 HIS 35 HD1 HIS 35 5.623 8.299 2.731
244 HD2 HIS 35 HD2 HIS 35 2.241 6.013 1.954
245 HE1 HIS 35 HE1 HIS 35 6.113 6.025 3.688
246 H THR 36 H THR 36 0.695 10.385 1.146
247 HA THR 36 HA THR 36 1.592 12.671 -0.307
248 HB THR 36 HB THR 36 -0.096 11.215 -1.274
249 HG1 THR 36 HG1 THR 36 -0.867 13.881 -0.693
250 HG21 THR 36 3HG2 THR 36 -1.150 10.849 1.103
251 HG22 THR 36 1HG2 THR 36 -2.150 10.737 -0.344
252 HG23 THR 36 2HG2 THR 36 -2.170 12.207 0.630
253 H GLY 37 H GLY 37 2.280 14.098 1.376
254 HA2 GLY 37 1HA GLY 37 0.654 16.191 1.983
255 HA3 GLY 37 2HA GLY 37 0.375 15.070 3.307
256 H GLU 38 H GLU 38 2.918 14.027 3.656
257 HA GLU 38 HA GLU 38 4.443 16.415 4.465
258 HB2 GLU 38 1HB GLU 38 5.323 14.976 6.333
259 HB3 GLU 38 2HB GLU 38 3.615 15.380 6.445
260 HG2 GLU 38 1HG GLU 38 3.116 13.150 5.420
261 HG3 GLU 38 2HG GLU 38 4.828 12.766 5.594
262 H ASN 39 H ASN 39 6.099 16.617 3.100
263 HA ASN 39 HA ASN 39 7.540 14.194 2.262
264 HB2 ASN 39 1HB ASN 39 7.858 16.901 0.986
265 HB3 ASN 39 2HB ASN 39 8.200 15.315 0.302
266 HD21 ASN 39 1HD2 ASN 39 5.865 17.756 0.792
267 HD22 ASN 39 2HD2 ASN 39 4.555 16.988 -0.034
268 HA PRO 40 HA PRO 40 10.369 16.227 5.296
269 HB2 PRO 40 1HB PRO 40 11.256 13.893 6.361
270 HB3 PRO 40 2HB PRO 40 9.784 14.703 6.912
271 HG2 PRO 40 1HG PRO 40 10.085 12.395 5.030
272 HG3 PRO 40 2HG PRO 40 8.913 12.624 6.342
273 HD2 PRO 40 1HD PRO 40 8.292 13.054 3.742
274 HD3 PRO 40 2HD PRO 40 7.560 13.985 5.065
275 H SER 41 H SER 41 12.357 16.783 4.678
276 HA SER 41 HA SER 41 13.642 15.991 2.411
277 HB2 SER 41 1HB SER 41 14.207 17.869 4.163
278 HB3 SER 41 2HB SER 41 15.320 16.660 4.803
279 HG SER 41 HG SER 41 15.815 16.566 2.315
280 H GLY 42 H GLY 42 14.827 14.305 1.739
281 HA2 GLY 42 1HA GLY 42 16.562 12.645 2.318
282 HA3 GLY 42 2HA GLY 42 15.627 12.310 3.768
283 HA PRO 43 HA PRO 43 13.563 9.051 1.691
284 HB2 PRO 43 1HB PRO 43 11.135 9.100 2.905
285 HB3 PRO 43 2HB PRO 43 12.601 8.529 3.712
286 HG2 PRO 43 1HG PRO 43 11.248 11.193 3.904
287 HG3 PRO 43 2HG PRO 43 11.946 10.196 5.194
288 HD2 PRO 43 1HD PRO 43 13.241 12.325 4.135
289 HD3 PRO 43 2HD PRO 43 14.096 10.891 4.741
290 H SER 44 H SER 44 12.822 12.220 1.145
291 HA SER 44 HA SER 44 10.339 12.265 -0.076
292 HB2 SER 44 1HB SER 44 12.815 13.779 -0.941
293 HB3 SER 44 2HB SER 44 11.151 14.204 -1.339
294 HG SER 44 HG SER 44 12.228 14.061 1.285
295 H SER 45 H SER 45 9.579 10.975 -1.607
296 HA SER 45 HA SER 45 11.410 9.860 -3.600
297 HB2 SER 45 1HB SER 45 8.751 9.064 -2.509
298 HB3 SER 45 2HB SER 45 9.140 8.584 -4.160
299 HG SER 45 HG SER 45 9.767 7.127 -2.337
300 H GLY 46 H GLY 46 11.401 10.461 -5.679
301 HA2 GLY 46 1HA GLY 46 9.061 11.761 -6.827
302 HA3 GLY 46 2HA GLY 46 10.510 12.749 -6.714
Start of MODEL 3
1 H1 GLY 1 H GLY 1 17.996 -2.682 12.529
2 HA2 GLY 1 1HA GLY 1 18.372 -3.627 15.278
3 HA3 GLY 1 2HA GLY 1 16.823 -2.908 14.860
4 H SER 2 H SER 2 16.283 -5.193 15.678
5 HA SER 2 HA SER 2 16.431 -7.118 13.458
6 HB2 SER 2 1HB SER 2 15.751 -7.669 16.355
7 HB3 SER 2 2HB SER 2 16.030 -8.866 15.091
8 HG SER 2 HG SER 2 17.917 -7.048 16.179
9 H SER 3 H SER 3 14.612 -5.043 13.219
10 HA SER 3 HA SER 3 12.032 -5.675 14.198
11 HB2 SER 3 1HB SER 3 12.537 -3.422 13.461
12 HB3 SER 3 2HB SER 3 12.892 -3.995 11.831
13 HG SER 3 HG SER 3 10.836 -3.314 11.698
14 H GLY 4 H GLY 4 13.433 -6.053 10.935
15 HA2 GLY 4 1HA GLY 4 13.184 -8.013 9.616
16 HA3 GLY 4 2HA GLY 4 11.785 -8.454 10.584
17 H SER 5 H SER 5 12.662 -7.528 7.600
18 HA SER 5 HA SER 5 10.051 -6.265 7.091
19 HB2 SER 5 1HB SER 5 11.178 -5.013 5.217
20 HB3 SER 5 2HB SER 5 11.690 -4.527 6.833
21 HG SER 5 HG SER 5 13.072 -6.117 4.948
22 H SER 6 H SER 6 12.675 -8.258 5.830
23 HA SER 6 HA SER 6 10.781 -9.394 3.878
24 HB2 SER 6 1HB SER 6 13.721 -8.816 3.668
25 HB3 SER 6 2HB SER 6 12.991 -10.079 2.677
26 HG SER 6 HG SER 6 12.579 -8.439 1.411
27 H GLY 7 H GLY 7 10.309 -11.485 4.089
28 HA2 GLY 7 1HA GLY 7 12.085 -13.524 4.786
29 HA3 GLY 7 2HA GLY 7 11.275 -13.013 6.259
30 H THR 8 H THR 8 8.747 -12.610 5.649
31 HA THR 8 HA THR 8 7.585 -14.479 3.860
32 HB THR 8 HB THR 8 8.383 -16.110 5.514
33 HG1 THR 8 HG1 THR 8 6.305 -16.371 4.431
34 HG21 THR 8 3HG2 THR 8 7.050 -16.029 7.757
35 HG22 THR 8 1HG2 THR 8 6.919 -14.307 7.400
36 HG23 THR 8 2HG2 THR 8 8.508 -15.055 7.570
37 H GLY 9 H GLY 9 5.352 -14.243 3.698
38 HA2 GLY 9 1HA GLY 9 3.231 -13.507 4.556
39 HA3 GLY 9 2HA GLY 9 4.088 -12.368 5.583
40 H GLU 10 H GLU 10 2.989 -13.035 2.325
41 HA GLU 10 HA GLU 10 3.581 -10.248 1.587
42 HB2 GLU 10 1HB GLU 10 3.080 -12.656 -0.171
43 HB3 GLU 10 2HB GLU 10 3.330 -11.020 -0.762
44 HG2 GLU 10 1HG GLU 10 5.295 -12.801 0.642
45 HG3 GLU 10 2HG GLU 10 5.386 -12.151 -0.994
46 H LYS 11 H LYS 11 1.925 -8.896 1.568
47 HA LYS 11 HA LYS 11 -0.796 -9.942 1.559
48 HB2 LYS 11 1HB LYS 11 0.078 -7.070 1.878
49 HB3 LYS 11 2HB LYS 11 -1.480 -7.767 2.303
50 HG2 LYS 11 1HG LYS 11 1.105 -8.568 3.614
51 HG3 LYS 11 2HG LYS 11 0.048 -7.295 4.228
52 HD2 LYS 11 1HD LYS 11 -1.643 -8.787 4.774
53 HD3 LYS 11 2HD LYS 11 -1.053 -10.019 3.657
54 HE2 LYS 11 1HE LYS 11 -0.573 -10.757 5.876
55 HE3 LYS 11 2HE LYS 11 0.950 -10.280 5.127
56 HZ1 LYS 11 3HZ LYS 11 0.268 -7.999 6.276
57 HZ2 LYS 11 1HZ LYS 11 1.178 -9.184 7.069
58 HZ3 LYS 11 2HZ LYS 11 -0.486 -9.068 7.349
59 HA PRO 12 HA PRO 12 -1.694 -8.913 -2.615
60 HB2 PRO 12 1HB PRO 12 -4.323 -8.260 -2.427
61 HB3 PRO 12 2HB PRO 12 -3.734 -9.921 -2.294
62 HG2 PRO 12 1HG PRO 12 -4.489 -8.000 -0.126
63 HG3 PRO 12 2HG PRO 12 -4.862 -9.728 -0.270
64 HD2 PRO 12 1HD PRO 12 -2.870 -8.794 1.309
65 HD3 PRO 12 2HD PRO 12 -2.783 -10.368 0.494
66 H HIS 13 H HIS 13 -1.336 -6.638 -0.297
67 HA HIS 13 HA HIS 13 -1.495 -4.474 -2.230
68 HB2 HIS 13 1HB HIS 13 -2.983 -4.377 0.402
69 HB3 HIS 13 2HB HIS 13 -2.762 -3.010 -0.687
70 HD2 HIS 13 HD2 HIS 13 -5.257 -5.772 -0.055
71 HE1 HIS 13 HE1 HIS 13 -6.024 -4.373 -3.986
72 HE2 HIS 13 HE2 HIS 13 -6.912 -5.706 -2.042
73 H GLU 14 H GLU 14 0.591 -3.892 -2.157
74 HA GLU 14 HA GLU 14 1.835 -3.495 0.480
75 HB2 GLU 14 1HB GLU 14 2.810 -5.065 -1.405
76 HB3 GLU 14 2HB GLU 14 3.427 -3.550 -2.048
77 HG2 GLU 14 1HG GLU 14 4.719 -3.144 -0.111
78 HG3 GLU 14 2HG GLU 14 3.913 -4.433 0.780
79 H CYS 15 H CYS 15 2.878 -1.579 0.965
80 HA CYS 15 HA CYS 15 1.971 0.724 -0.550
81 HB2 CYS 15 1HB CYS 15 1.968 0.497 2.018
82 HB3 CYS 15 2HB CYS 15 3.696 0.818 1.915
83 H ARG 16 H ARG 16 3.215 0.605 -2.436
84 HA ARG 16 HA ARG 16 5.923 0.196 -2.682
85 HB2 ARG 16 1HB ARG 16 3.897 1.691 -4.263
86 HB3 ARG 16 2HB ARG 16 5.589 1.993 -4.635
87 HG2 ARG 16 1HG ARG 16 5.669 -0.656 -4.650
88 HG3 ARG 16 2HG ARG 16 3.960 -0.447 -5.039
89 HD2 ARG 16 1HD ARG 16 5.937 1.202 -6.520
90 HD3 ARG 16 2HD ARG 16 5.839 -0.514 -6.912
91 HE ARG 16 HE ARG 16 3.298 0.849 -6.869
92 HH11 ARG 16 1HH1 ARG 16 6.054 -0.068 -8.789
93 HH12 ARG 16 2HH1 ARG 16 5.205 0.040 -10.295
94 HH21 ARG 16 1HH2 ARG 16 2.170 0.996 -8.846
95 HH22 ARG 16 2HH2 ARG 16 2.996 0.646 -10.326
96 H GLU 17 H GLU 17 4.321 2.836 -1.219
97 HA GLU 17 HA GLU 17 6.289 4.841 -1.592
98 HB2 GLU 17 1HB GLU 17 4.183 4.502 0.548
99 HB3 GLU 17 2HB GLU 17 5.178 5.940 0.362
100 HG2 GLU 17 1HG GLU 17 3.642 4.992 -1.992
101 HG3 GLU 17 2HG GLU 17 2.763 5.769 -0.677
102 H CYS 18 H CYS 18 5.562 2.781 1.228
103 HA CYS 18 HA CYS 18 8.327 3.225 2.145
104 HB2 CYS 18 1HB CYS 18 7.458 2.636 4.416
105 HB3 CYS 18 2HB CYS 18 6.767 4.111 3.748
106 H GLY 19 H GLY 19 5.768 0.826 1.728
107 HA2 GLY 19 1HA GLY 19 6.696 -1.311 0.748
108 HA3 GLY 19 2HA GLY 19 7.789 -1.292 2.124
109 H LYS 20 H LYS 20 5.174 -0.080 3.477
110 HA LYS 20 HA LYS 20 4.516 -2.175 5.087
111 HB2 LYS 20 1HB LYS 20 2.970 0.205 4.146
112 HB3 LYS 20 2HB LYS 20 2.147 -1.017 5.108
113 HG2 LYS 20 1HG LYS 20 4.254 -0.683 6.671
114 HG3 LYS 20 2HG LYS 20 4.278 0.895 5.880
115 HD2 LYS 20 1HD LYS 20 2.944 1.253 7.755
116 HD3 LYS 20 2HD LYS 20 1.768 0.982 6.467
117 HE2 LYS 20 1HE LYS 20 1.037 -0.287 8.329
118 HE3 LYS 20 2HE LYS 20 1.720 -1.435 7.178
119 HZ1 LYS 20 3HZ LYS 20 2.393 -1.798 9.529
120 HZ2 LYS 20 1HZ LYS 20 3.228 -0.327 9.479
121 HZ3 LYS 20 2HZ LYS 20 3.693 -1.598 8.465
122 H SER 21 H SER 21 2.326 -3.318 5.181
123 HA SER 21 HA SER 21 1.348 -4.128 2.550
124 HB2 SER 21 1HB SER 21 1.615 -6.492 3.004
125 HB3 SER 21 2HB SER 21 3.183 -5.704 3.175
126 HG SER 21 HG SER 21 1.502 -6.075 5.406
127 H PHE 22 H PHE 22 -0.794 -4.450 2.519
128 HA PHE 22 HA PHE 22 -2.186 -4.814 5.086
129 HB2 PHE 22 1HB PHE 22 -3.162 -3.063 2.823
130 HB3 PHE 22 2HB PHE 22 -3.925 -3.279 4.394
131 HD1 PHE 22 HD2 PHE 22 -0.899 -1.956 2.721
132 HD2 PHE 22 HD1 PHE 22 -3.327 -1.940 6.216
133 HE1 PHE 22 HE2 PHE 22 0.383 -0.048 3.599
134 HE2 PHE 22 HE1 PHE 22 -2.050 -0.032 7.100
135 HZ PHE 22 HZ PHE 22 -0.191 0.916 5.791
136 H SER 23 H SER 23 -3.547 -6.479 5.121
137 HA SER 23 HA SER 23 -3.805 -8.264 2.981
138 HB2 SER 23 1HB SER 23 -4.171 -8.678 5.499
139 HB3 SER 23 2HB SER 23 -5.811 -8.088 5.223
140 HG SER 23 HG SER 23 -5.692 -10.355 5.014
141 H PHE 24 H PHE 24 -5.460 -5.357 3.657
142 HA PHE 24 HA PHE 24 -7.387 -5.956 1.514
143 HB2 PHE 24 1HB PHE 24 -7.863 -4.663 4.181
144 HB3 PHE 24 2HB PHE 24 -8.887 -4.263 2.807
145 HD1 PHE 24 HD2 PHE 24 -7.467 -7.354 4.351
146 HD2 PHE 24 HD1 PHE 24 -10.870 -5.392 2.712
147 HE1 PHE 24 HE2 PHE 24 -8.828 -9.357 4.788
148 HE2 PHE 24 HE1 PHE 24 -12.237 -7.392 3.147
149 HZ PHE 24 HZ PHE 24 -11.216 -9.378 4.185
150 H ASN 25 H ASN 25 -7.934 -4.238 0.141
151 HA ASN 25 HA ASN 25 -5.853 -2.392 -0.370
152 HB2 ASN 25 1HB ASN 25 -7.316 -3.279 -2.141
153 HB3 ASN 25 2HB ASN 25 -8.685 -2.422 -1.438
154 HD21 ASN 25 1HD2 ASN 25 -5.333 -1.644 -2.322
155 HD22 ASN 25 2HD2 ASN 25 -5.719 -0.201 -3.190
156 H SER 26 H SER 26 -9.245 -1.766 0.550
157 HA SER 26 HA SER 26 -9.325 0.869 0.929
158 HB2 SER 26 1HB SER 26 -10.792 0.492 2.930
159 HB3 SER 26 2HB SER 26 -11.220 -0.495 1.532
160 HG SER 26 HG SER 26 -11.064 -2.083 2.899
161 H GLN 27 H GLN 27 -7.625 -1.376 3.045
162 HA GLN 27 HA GLN 27 -6.947 0.486 5.058
163 HB2 GLN 27 1HB GLN 27 -5.440 -2.007 4.250
164 HB3 GLN 27 2HB GLN 27 -5.314 -1.164 5.788
165 HG2 GLN 27 1HG GLN 27 -7.750 -1.658 6.141
166 HG3 GLN 27 2HG GLN 27 -7.665 -2.699 4.721
167 HE21 GLN 27 1HE2 GLN 27 -5.628 -2.126 7.574
168 HE22 GLN 27 2HE2 GLN 27 -5.474 -3.791 8.009
169 H LEU 28 H LEU 28 -4.807 -0.945 2.584
170 HA LEU 28 HA LEU 28 -2.606 0.627 2.905
171 HB2 LEU 28 1HB LEU 28 -2.602 -1.199 1.360
172 HB3 LEU 28 2HB LEU 28 -3.816 -0.414 0.352
173 HG LEU 28 HG LEU 28 -2.184 1.300 -0.278
174 HD11 LEU 28 1HD1 LEU 28 0.155 1.074 0.338
175 HD12 LEU 28 2HD1 LEU 28 -0.227 -0.323 1.343
176 HD13 LEU 28 3HD1 LEU 28 -0.849 1.270 1.775
177 HD21 LEU 28 3HD2 LEU 28 -0.716 -1.226 -0.779
178 HD22 LEU 28 1HD2 LEU 28 -1.232 0.032 -1.903
179 HD23 LEU 28 2HD2 LEU 28 -2.399 -1.146 -1.303
180 H ILE 29 H ILE 29 -5.630 1.503 1.386
181 HA ILE 29 HA ILE 29 -4.718 3.897 0.157
182 HB ILE 29 HB ILE 29 -7.540 3.329 1.053
183 HG12 ILE 29 1HG1 ILE 29 -6.262 1.538 -0.402
184 HG13 ILE 29 2HG1 ILE 29 -7.919 1.989 -0.787
185 HG21 ILE 29 1HG2 ILE 29 -6.393 5.041 -1.147
186 HG22 ILE 29 2HG2 ILE 29 -8.112 4.743 -0.892
187 HG23 ILE 29 3HG2 ILE 29 -7.175 5.603 0.330
188 HD11 ILE 29 3HD1 ILE 29 -6.633 1.894 -2.802
189 HD12 ILE 29 1HD1 ILE 29 -7.046 3.575 -2.468
190 HD13 ILE 29 2HD1 ILE 29 -5.419 2.982 -2.130
191 H VAL 30 H VAL 30 -6.239 3.177 3.271
192 HA VAL 30 HA VAL 30 -6.463 5.885 4.106
193 HB VAL 30 HB VAL 30 -6.420 3.342 5.736
194 HG11 VAL 30 1HG1 VAL 30 -6.722 6.199 6.491
195 HG12 VAL 30 2HG1 VAL 30 -7.732 5.011 7.317
196 HG13 VAL 30 3HG1 VAL 30 -5.975 4.868 7.373
197 HG21 VAL 30 3HG2 VAL 30 -8.959 4.300 5.831
198 HG22 VAL 30 1HG2 VAL 30 -8.478 4.765 4.199
199 HG23 VAL 30 2HG2 VAL 30 -8.397 3.074 4.695
200 H HIS 31 H HIS 31 -3.896 3.560 4.143
201 HA HIS 31 HA HIS 31 -2.325 4.967 6.117
202 HB2 HIS 31 1HB HIS 31 -1.899 2.673 6.152
203 HB3 HIS 31 2HB HIS 31 -1.892 2.548 4.395
204 HD1 HIS 31 HD1 HIS 31 0.258 3.903 7.207
205 HD2 HIS 31 HD2 HIS 31 0.585 2.651 3.259
206 HE1 HIS 31 HE1 HIS 31 2.723 3.889 6.708
207 H GLN 32 H GLN 32 -2.125 4.397 2.611
208 HA GLN 32 HA GLN 32 0.180 5.797 2.045
209 HB2 GLN 32 1HB GLN 32 -2.341 5.361 0.469
210 HB3 GLN 32 2HB GLN 32 -1.012 6.301 -0.195
211 HG2 GLN 32 1HG GLN 32 0.400 4.199 0.480
212 HG3 GLN 32 2HG GLN 32 -1.166 3.393 0.402
213 HE21 GLN 32 1HE2 GLN 32 -0.404 2.156 -1.353
214 HE22 GLN 32 2HE2 GLN 32 -0.297 2.827 -2.941
215 H ARG 33 H ARG 33 -2.909 7.012 2.999
216 HA ARG 33 HA ARG 33 -2.742 9.628 1.986
217 HB2 ARG 33 1HB ARG 33 -4.038 9.083 4.626
218 HB3 ARG 33 2HB ARG 33 -4.580 10.115 3.309
219 HG2 ARG 33 1HG ARG 33 -4.923 7.951 1.994
220 HG3 ARG 33 2HG ARG 33 -4.770 7.135 3.551
221 HD2 ARG 33 1HD ARG 33 -6.711 9.381 3.056
222 HD3 ARG 33 2HD ARG 33 -7.122 7.684 2.806
223 HE ARG 33 HE ARG 33 -6.224 7.653 5.322
224 HH11 ARG 33 1HH1 ARG 33 -8.463 9.774 3.705
225 HH12 ARG 33 2HH1 ARG 33 -9.383 10.106 5.135
226 HH21 ARG 33 1HH2 ARG 33 -7.428 8.083 7.211
227 HH22 ARG 33 2HH2 ARG 33 -8.793 9.144 7.129
228 H ILE 34 H ILE 34 -0.775 8.106 4.197
229 HA ILE 34 HA ILE 34 -0.229 10.441 5.834
230 HB ILE 34 HB ILE 34 1.185 9.092 7.130
231 HG12 ILE 34 1HG1 ILE 34 1.209 7.083 4.866
232 HG13 ILE 34 2HG1 ILE 34 2.524 8.181 5.270
233 HG21 ILE 34 1HG2 ILE 34 -0.774 8.244 7.835
234 HG22 ILE 34 2HG2 ILE 34 -1.315 7.863 6.201
235 HG23 ILE 34 3HG2 ILE 34 -0.209 6.775 7.039
236 HD11 ILE 34 3HD1 ILE 34 3.150 6.146 6.203
237 HD12 ILE 34 1HD1 ILE 34 2.505 7.062 7.564
238 HD13 ILE 34 2HD1 ILE 34 1.524 5.812 6.799
239 H HIS 35 H HIS 35 1.136 8.752 3.100
240 HA HIS 35 HA HIS 35 3.671 10.079 3.176
241 HB2 HIS 35 1HB HIS 35 2.269 8.500 1.014
242 HB3 HIS 35 2HB HIS 35 3.894 9.157 0.839
243 HD1 HIS 35 HD1 HIS 35 5.613 8.274 2.817
244 HD2 HIS 35 HD2 HIS 35 2.230 5.994 2.028
245 HE1 HIS 35 HE1 HIS 35 6.098 5.998 3.771
246 H THR 36 H THR 36 0.727 10.458 1.221
247 HA THR 36 HA THR 36 1.760 12.789 -0.122
248 HB THR 36 HB THR 36 0.238 11.336 -1.333
249 HG1 THR 36 HG1 THR 36 -1.017 12.961 -2.160
250 HG21 THR 36 3HG2 THR 36 -1.103 11.059 1.032
251 HG22 THR 36 1HG2 THR 36 -1.718 10.555 -0.542
252 HG23 THR 36 2HG2 THR 36 -2.181 12.120 0.126
253 H GLY 37 H GLY 37 -0.486 12.112 2.511
254 HA2 GLY 37 1HA GLY 37 -1.844 14.390 2.931
255 HA3 GLY 37 2HA GLY 37 -1.089 13.518 4.257
256 H GLU 38 H GLU 38 1.380 14.002 4.407
257 HA GLU 38 HA GLU 38 1.597 16.861 4.751
258 HB2 GLU 38 1HB GLU 38 3.613 16.407 5.956
259 HB3 GLU 38 2HB GLU 38 2.424 15.205 6.438
260 HG2 GLU 38 1HG GLU 38 3.488 13.501 5.259
261 HG3 GLU 38 2HG GLU 38 4.416 14.634 4.278
262 H ASN 39 H ASN 39 3.998 17.689 4.262
263 HA ASN 39 HA ASN 39 4.245 18.359 1.686
264 HB2 ASN 39 1HB ASN 39 6.603 17.605 3.428
265 HB3 ASN 39 2HB ASN 39 6.652 18.662 2.020
266 HD21 ASN 39 1HD2 ASN 39 5.073 20.539 2.155
267 HD22 ASN 39 2HD2 ASN 39 5.001 21.363 3.671
268 HA PRO 40 HA PRO 40 4.982 14.757 -0.738
269 HB2 PRO 40 1HB PRO 40 6.115 15.930 -2.909
270 HB3 PRO 40 2HB PRO 40 4.388 16.040 -2.549
271 HG2 PRO 40 1HG PRO 40 6.563 18.028 -2.021
272 HG3 PRO 40 2HG PRO 40 4.926 18.300 -2.647
273 HD2 PRO 40 1HD PRO 40 5.591 18.754 -0.062
274 HD3 PRO 40 2HD PRO 40 3.973 18.210 -0.550
275 H SER 41 H SER 41 6.934 14.085 -2.365
276 HA SER 41 HA SER 41 9.209 13.760 -0.604
277 HB2 SER 41 1HB SER 41 10.035 12.224 -2.394
278 HB3 SER 41 2HB SER 41 8.432 11.800 -1.794
279 HG SER 41 HG SER 41 7.543 12.778 -3.630
280 H GLY 42 H GLY 42 8.774 16.416 -1.582
281 HA2 GLY 42 1HA GLY 42 11.042 16.761 -3.435
282 HA3 GLY 42 2HA GLY 42 9.742 17.923 -3.207
283 HA PRO 43 HA PRO 43 12.081 20.142 -0.245
284 HB2 PRO 43 1HB PRO 43 10.251 20.772 1.659
285 HB3 PRO 43 2HB PRO 43 10.264 21.515 0.055
286 HG2 PRO 43 1HG PRO 43 8.574 19.272 1.090
287 HG3 PRO 43 2HG PRO 43 8.103 20.656 0.087
288 HD2 PRO 43 1HD PRO 43 8.544 18.192 -0.945
289 HD3 PRO 43 2HD PRO 43 8.889 19.681 -1.848
290 H SER 44 H SER 44 11.040 17.086 0.397
291 HA SER 44 HA SER 44 11.794 17.019 3.204
292 HB2 SER 44 1HB SER 44 9.952 15.616 2.719
293 HB3 SER 44 2HB SER 44 10.731 14.953 1.282
294 HG SER 44 HG SER 44 11.716 14.584 3.915
295 H SER 45 H SER 45 12.970 15.818 0.093
296 HA SER 45 HA SER 45 15.096 14.265 0.951
297 HB2 SER 45 1HB SER 45 14.883 16.005 -1.516
298 HB3 SER 45 2HB SER 45 16.132 14.786 -1.264
299 HG SER 45 HG SER 45 14.422 13.917 -2.459
300 H GLY 46 H GLY 46 17.373 14.695 1.076
301 HA2 GLY 46 1HA GLY 46 19.218 16.222 1.207
302 HA3 GLY 46 2HA GLY 46 18.079 17.506 1.586
Start of MODEL 4
1 H1 GLY 1 H GLY 1 21.323 -18.103 21.732
2 HA2 GLY 1 1HA GLY 1 21.971 -19.753 19.432
3 HA3 GLY 1 2HA GLY 1 20.306 -19.862 19.984
4 H SER 2 H SER 2 22.002 -18.561 17.645
5 HA SER 2 HA SER 2 20.397 -16.090 17.591
6 HB2 SER 2 1HB SER 2 23.257 -16.512 16.722
7 HB3 SER 2 2HB SER 2 22.298 -15.133 16.184
8 HG SER 2 HG SER 2 23.420 -15.659 18.652
9 H SER 3 H SER 3 18.759 -16.938 16.343
10 HA SER 3 HA SER 3 19.526 -17.796 13.629
11 HB2 SER 3 1HB SER 3 17.074 -18.599 15.215
12 HB3 SER 3 2HB SER 3 17.441 -19.110 13.568
13 HG SER 3 HG SER 3 18.771 -19.778 15.966
14 H GLY 4 H GLY 4 16.935 -16.215 15.496
15 HA2 GLY 4 1HA GLY 4 15.305 -14.723 14.805
16 HA3 GLY 4 2HA GLY 4 16.707 -13.877 14.164
17 H SER 5 H SER 5 14.481 -16.528 13.330
18 HA SER 5 HA SER 5 14.393 -15.463 10.593
19 HB2 SER 5 1HB SER 5 14.452 -17.730 9.672
20 HB3 SER 5 2HB SER 5 15.904 -17.420 10.625
21 HG SER 5 HG SER 5 14.454 -19.464 10.907
22 H SER 6 H SER 6 12.375 -14.610 10.715
23 HA SER 6 HA SER 6 10.186 -16.465 11.395
24 HB2 SER 6 1HB SER 6 10.499 -14.490 12.949
25 HB3 SER 6 2HB SER 6 10.059 -13.451 11.594
26 HG SER 6 HG SER 6 8.311 -15.519 11.993
27 H GLY 7 H GLY 7 9.883 -17.224 9.303
28 HA2 GLY 7 1HA GLY 7 9.735 -15.618 6.996
29 HA3 GLY 7 2HA GLY 7 9.052 -17.229 7.163
30 H THR 8 H THR 8 8.056 -14.700 5.885
31 HA THR 8 HA THR 8 5.355 -14.879 6.947
32 HB THR 8 HB THR 8 6.770 -12.215 6.724
33 HG1 THR 8 HG1 THR 8 6.197 -13.933 8.848
34 HG21 THR 8 3HG2 THR 8 4.104 -12.726 6.317
35 HG22 THR 8 1HG2 THR 8 4.779 -11.184 6.841
36 HG23 THR 8 2HG2 THR 8 4.159 -12.325 8.033
37 H GLY 9 H GLY 9 3.896 -14.869 5.349
38 HA2 GLY 9 1HA GLY 9 4.654 -14.857 2.649
39 HA3 GLY 9 2HA GLY 9 3.003 -14.735 3.240
40 H GLU 10 H GLU 10 2.516 -13.293 1.525
41 HA GLU 10 HA GLU 10 3.353 -10.543 2.104
42 HB2 GLU 10 1HB GLU 10 3.525 -10.075 -0.324
43 HB3 GLU 10 2HB GLU 10 4.737 -11.216 0.241
44 HG2 GLU 10 1HG GLU 10 2.168 -12.067 -1.060
45 HG3 GLU 10 2HG GLU 10 3.652 -11.755 -1.959
46 H LYS 11 H LYS 11 1.777 -9.020 1.870
47 HA LYS 11 HA LYS 11 -0.931 -9.986 1.639
48 HB2 LYS 11 1HB LYS 11 0.015 -7.136 1.971
49 HB3 LYS 11 2HB LYS 11 -1.594 -7.764 2.303
50 HG2 LYS 11 1HG LYS 11 0.801 -8.808 3.764
51 HG3 LYS 11 2HG LYS 11 -0.012 -7.327 4.275
52 HD2 LYS 11 1HD LYS 11 -1.976 -8.444 4.818
53 HD3 LYS 11 2HD LYS 11 -1.582 -9.833 3.803
54 HE2 LYS 11 1HE LYS 11 0.354 -10.243 5.410
55 HE3 LYS 11 2HE LYS 11 -0.436 -9.085 6.479
56 HZ1 LYS 11 3HZ LYS 11 -2.200 -10.485 6.842
57 HZ2 LYS 11 1HZ LYS 11 -0.937 -11.602 6.706
58 HZ3 LYS 11 2HZ LYS 11 -1.980 -11.342 5.400
59 HA PRO 12 HA PRO 12 -1.692 -8.998 -2.571
60 HB2 PRO 12 1HB PRO 12 -4.314 -8.303 -2.467
61 HB3 PRO 12 2HB PRO 12 -3.755 -9.971 -2.296
62 HG2 PRO 12 1HG PRO 12 -4.543 -8.011 -0.175
63 HG3 PRO 12 2HG PRO 12 -4.938 -9.734 -0.308
64 HD2 PRO 12 1HD PRO 12 -2.978 -8.810 1.316
65 HD3 PRO 12 2HD PRO 12 -2.893 -10.396 0.523
66 H HIS 13 H HIS 13 -1.377 -6.697 -0.267
67 HA HIS 13 HA HIS 13 -1.476 -4.555 -2.236
68 HB2 HIS 13 1HB HIS 13 -2.965 -4.423 0.394
69 HB3 HIS 13 2HB HIS 13 -2.702 -3.054 -0.682
70 HD2 HIS 13 HD2 HIS 13 -5.279 -5.742 -0.082
71 HE1 HIS 13 HE1 HIS 13 -5.972 -4.316 -4.017
72 HE2 HIS 13 HE2 HIS 13 -6.915 -5.624 -2.082
73 H GLU 14 H GLU 14 0.620 -4.008 -2.178
74 HA GLU 14 HA GLU 14 1.870 -3.581 0.453
75 HB2 GLU 14 1HB GLU 14 2.806 -5.234 -1.388
76 HB3 GLU 14 2HB GLU 14 3.481 -3.754 -2.054
77 HG2 GLU 14 1HG GLU 14 4.825 -3.381 -0.188
78 HG3 GLU 14 2HG GLU 14 3.893 -4.490 0.817
79 H CYS 15 H CYS 15 2.860 -1.658 0.924
80 HA CYS 15 HA CYS 15 2.066 0.605 -0.697
81 HB2 CYS 15 1HB CYS 15 2.021 0.448 1.886
82 HB3 CYS 15 2HB CYS 15 3.751 0.763 1.790
83 H ARG 16 H ARG 16 3.274 1.216 -2.359
84 HA ARG 16 HA ARG 16 6.031 0.490 -2.610
85 HB2 ARG 16 1HB ARG 16 4.082 2.049 -4.264
86 HB3 ARG 16 2HB ARG 16 5.799 2.153 -4.629
87 HG2 ARG 16 1HG ARG 16 4.368 -0.476 -4.409
88 HG3 ARG 16 2HG ARG 16 4.443 0.441 -5.915
89 HD2 ARG 16 1HD ARG 16 6.755 0.199 -6.088
90 HD3 ARG 16 2HD ARG 16 6.933 -0.205 -4.381
91 HE ARG 16 HE ARG 16 6.521 -2.024 -6.494
92 HH11 ARG 16 1HH1 ARG 16 5.521 -1.405 -3.218
93 HH12 ARG 16 2HH1 ARG 16 5.206 -3.071 -2.861
94 HH21 ARG 16 1HH2 ARG 16 6.110 -4.220 -6.037
95 HH22 ARG 16 2HH2 ARG 16 5.542 -4.671 -4.465
96 H GLU 17 H GLU 17 4.459 2.959 -0.987
97 HA GLU 17 HA GLU 17 6.351 5.065 -1.416
98 HB2 GLU 17 1HB GLU 17 4.291 4.689 0.766
99 HB3 GLU 17 2HB GLU 17 5.203 6.165 0.480
100 HG2 GLU 17 1HG GLU 17 3.481 4.945 -1.645
101 HG3 GLU 17 2HG GLU 17 2.825 6.035 -0.425
102 H CYS 18 H CYS 18 5.713 2.824 1.275
103 HA CYS 18 HA CYS 18 8.443 3.364 2.248
104 HB2 CYS 18 1HB CYS 18 7.579 2.700 4.504
105 HB3 CYS 18 2HB CYS 18 6.870 4.182 3.870
106 H GLY 19 H GLY 19 5.912 0.902 1.915
107 HA2 GLY 19 1HA GLY 19 6.890 -1.194 0.847
108 HA3 GLY 19 2HA GLY 19 7.991 -1.170 2.217
109 H LYS 20 H LYS 20 5.202 -0.018 3.427
110 HA LYS 20 HA LYS 20 4.644 -2.181 5.057
111 HB2 LYS 20 1HB LYS 20 3.106 0.238 4.223
112 HB3 LYS 20 2HB LYS 20 2.261 -1.025 5.109
113 HG2 LYS 20 1HG LYS 20 4.295 -0.810 6.746
114 HG3 LYS 20 2HG LYS 20 4.448 0.784 6.004
115 HD2 LYS 20 1HD LYS 20 3.039 1.276 7.743
116 HD3 LYS 20 2HD LYS 20 1.860 0.887 6.488
117 HE2 LYS 20 1HE LYS 20 1.272 -0.203 8.578
118 HE3 LYS 20 2HE LYS 20 1.704 -1.400 7.358
119 HZ1 LYS 20 3HZ LYS 20 3.934 -0.543 8.953
120 HZ2 LYS 20 1HZ LYS 20 3.418 -2.107 8.569
121 HZ3 LYS 20 2HZ LYS 20 2.715 -1.280 9.866
122 H SER 21 H SER 21 2.195 -3.061 5.068
123 HA SER 21 HA SER 21 1.261 -3.844 2.452
124 HB2 SER 21 1HB SER 21 2.104 -6.059 4.319
125 HB3 SER 21 2HB SER 21 1.635 -6.179 2.623
126 HG SER 21 HG SER 21 4.069 -5.653 3.714
127 H PHE 22 H PHE 22 -0.863 -4.435 2.459
128 HA PHE 22 HA PHE 22 -2.165 -4.851 5.058
129 HB2 PHE 22 1HB PHE 22 -3.297 -3.067 2.897
130 HB3 PHE 22 2HB PHE 22 -3.950 -3.330 4.511
131 HD1 PHE 22 HD2 PHE 22 -0.960 -2.007 2.743
132 HD2 PHE 22 HD1 PHE 22 -3.382 -1.901 6.242
133 HE1 PHE 22 HE2 PHE 22 0.329 -0.083 3.572
134 HE2 PHE 22 HE1 PHE 22 -2.097 0.025 7.077
135 HZ PHE 22 HZ PHE 22 -0.238 0.935 5.742
136 H SER 23 H SER 23 -3.785 -6.332 5.074
137 HA SER 23 HA SER 23 -3.955 -8.167 2.926
138 HB2 SER 23 1HB SER 23 -4.310 -9.011 5.129
139 HB3 SER 23 2HB SER 23 -5.580 -7.831 5.450
140 HG SER 23 HG SER 23 -6.827 -8.887 3.822
141 H PHE 24 H PHE 24 -5.820 -5.377 3.842
142 HA PHE 24 HA PHE 24 -7.636 -5.887 1.578
143 HB2 PHE 24 1HB PHE 24 -8.160 -4.588 4.245
144 HB3 PHE 24 2HB PHE 24 -9.214 -4.317 2.861
145 HD1 PHE 24 HD2 PHE 24 -7.661 -7.129 4.756
146 HD2 PHE 24 HD1 PHE 24 -11.035 -5.689 2.598
147 HE1 PHE 24 HE2 PHE 24 -8.879 -9.199 5.287
148 HE2 PHE 24 HE1 PHE 24 -12.260 -7.756 3.126
149 HZ PHE 24 HZ PHE 24 -11.181 -9.515 4.471
150 H ASN 25 H ASN 25 -7.800 -4.359 0.037
151 HA ASN 25 HA ASN 25 -5.866 -2.428 -0.333
152 HB2 ASN 25 1HB ASN 25 -7.265 -3.227 -2.159
153 HB3 ASN 25 2HB ASN 25 -8.686 -2.485 -1.429
154 HD21 ASN 25 1HD2 ASN 25 -5.467 -1.710 -2.669
155 HD22 ASN 25 2HD2 ASN 25 -5.892 -0.158 -3.300
156 H SER 26 H SER 26 -9.251 -1.810 0.618
157 HA SER 26 HA SER 26 -9.338 0.821 1.021
158 HB2 SER 26 1HB SER 26 -10.776 0.422 3.035
159 HB3 SER 26 2HB SER 26 -11.214 -0.566 1.642
160 HG SER 26 HG SER 26 -10.957 -1.570 3.867
161 H GLN 27 H GLN 27 -7.677 -1.437 3.174
162 HA GLN 27 HA GLN 27 -6.948 0.426 5.153
163 HB2 GLN 27 1HB GLN 27 -5.501 -2.098 4.333
164 HB3 GLN 27 2HB GLN 27 -5.290 -1.234 5.850
165 HG2 GLN 27 1HG GLN 27 -7.683 -1.675 6.360
166 HG3 GLN 27 2HG GLN 27 -7.757 -2.673 4.909
167 HE21 GLN 27 1HE2 GLN 27 -5.705 -2.274 7.780
168 HE22 GLN 27 2HE2 GLN 27 -5.519 -3.963 8.091
169 H LEU 28 H LEU 28 -4.821 -1.034 2.686
170 HA LEU 28 HA LEU 28 -2.617 0.537 2.988
171 HB2 LEU 28 1HB LEU 28 -2.583 -1.296 1.470
172 HB3 LEU 28 2HB LEU 28 -3.835 -0.565 0.467
173 HG LEU 28 HG LEU 28 -2.240 1.195 -0.197
174 HD11 LEU 28 1HD1 LEU 28 -0.184 -0.450 1.268
175 HD12 LEU 28 2HD1 LEU 28 -0.844 1.078 1.849
176 HD13 LEU 28 3HD1 LEU 28 0.091 1.033 0.354
177 HD21 LEU 28 3HD2 LEU 28 -2.522 -1.169 -1.297
178 HD22 LEU 28 1HD2 LEU 28 -0.863 -1.392 -0.741
179 HD23 LEU 28 2HD2 LEU 28 -1.255 -0.069 -1.839
180 H ILE 29 H ILE 29 -5.631 1.389 1.425
181 HA ILE 29 HA ILE 29 -4.722 3.763 0.168
182 HB ILE 29 HB ILE 29 -7.539 3.211 1.092
183 HG12 ILE 29 1HG1 ILE 29 -6.272 1.410 -0.360
184 HG13 ILE 29 2HG1 ILE 29 -7.931 1.860 -0.736
185 HG21 ILE 29 1HG2 ILE 29 -7.318 5.451 0.365
186 HG22 ILE 29 2HG2 ILE 29 -6.341 4.980 -1.024
187 HG23 ILE 29 3HG2 ILE 29 -8.055 4.571 -0.973
188 HD11 ILE 29 3HD1 ILE 29 -6.663 1.751 -2.761
189 HD12 ILE 29 1HD1 ILE 29 -7.066 3.436 -2.433
190 HD13 ILE 29 2HD1 ILE 29 -5.439 2.838 -2.104
191 H VAL 30 H VAL 30 -6.203 3.098 3.310
192 HA VAL 30 HA VAL 30 -6.422 5.820 4.100
193 HB VAL 30 HB VAL 30 -6.356 3.305 5.772
194 HG11 VAL 30 1HG1 VAL 30 -6.852 6.174 6.493
195 HG12 VAL 30 2HG1 VAL 30 -7.538 4.854 7.442
196 HG13 VAL 30 3HG1 VAL 30 -5.788 5.003 7.272
197 HG21 VAL 30 3HG2 VAL 30 -8.319 3.058 4.657
198 HG22 VAL 30 1HG2 VAL 30 -8.884 4.156 5.917
199 HG23 VAL 30 2HG2 VAL 30 -8.473 4.782 4.320
200 H HIS 31 H HIS 31 -3.842 3.523 4.106
201 HA HIS 31 HA HIS 31 -2.250 4.935 6.058
202 HB2 HIS 31 1HB HIS 31 -1.807 2.642 6.067
203 HB3 HIS 31 2HB HIS 31 -1.815 2.535 4.309
204 HD1 HIS 31 HD1 HIS 31 0.341 3.958 7.091
205 HD2 HIS 31 HD2 HIS 31 0.655 2.606 3.175
206 HE1 HIS 31 HE1 HIS 31 2.802 3.958 6.575
207 H GLN 32 H GLN 32 -2.098 4.382 2.547
208 HA GLN 32 HA GLN 32 0.179 5.818 1.954
209 HB2 GLN 32 1HB GLN 32 -2.353 5.337 0.412
210 HB3 GLN 32 2HB GLN 32 -1.057 6.311 -0.269
211 HG2 GLN 32 1HG GLN 32 0.422 4.253 0.355
212 HG3 GLN 32 2HG GLN 32 -1.119 3.398 0.341
213 HE21 GLN 32 1HE2 GLN 32 -0.345 2.173 -1.430
214 HE22 GLN 32 2HE2 GLN 32 -0.334 2.832 -3.027
215 H ARG 33 H ARG 33 -2.903 6.982 2.973
216 HA ARG 33 HA ARG 33 -2.796 9.603 1.956
217 HB2 ARG 33 1HB ARG 33 -4.058 8.894 4.593
218 HB3 ARG 33 2HB ARG 33 -4.569 10.104 3.424
219 HG2 ARG 33 1HG ARG 33 -4.884 8.001 1.878
220 HG3 ARG 33 2HG ARG 33 -5.001 7.165 3.428
221 HD2 ARG 33 1HD ARG 33 -7.207 7.806 2.674
222 HD3 ARG 33 2HD ARG 33 -6.774 8.733 4.110
223 HE ARG 33 HE ARG 33 -6.033 10.377 2.114
224 HH11 ARG 33 1HH1 ARG 33 -8.975 8.627 2.748
225 HH12 ARG 33 2HH1 ARG 33 -9.992 9.795 1.971
226 HH21 ARG 33 1HH2 ARG 33 -7.361 11.922 1.088
227 HH22 ARG 33 2HH2 ARG 33 -9.072 11.668 1.026
228 H ILE 34 H ILE 34 -0.767 8.108 4.124
229 HA ILE 34 HA ILE 34 -0.231 10.461 5.747
230 HB ILE 34 HB ILE 34 1.191 9.132 7.054
231 HG12 ILE 34 1HG1 ILE 34 1.219 7.112 4.800
232 HG13 ILE 34 2HG1 ILE 34 2.537 8.201 5.220
233 HG21 ILE 34 1HG2 ILE 34 -0.181 6.819 7.037
234 HG22 ILE 34 2HG2 ILE 34 -0.789 8.309 7.755
235 HG23 ILE 34 3HG2 ILE 34 -1.294 7.844 6.131
236 HD11 ILE 34 3HD1 ILE 34 1.515 5.822 6.713
237 HD12 ILE 34 1HD1 ILE 34 3.153 6.176 6.165
238 HD13 ILE 34 2HD1 ILE 34 2.464 7.072 7.519
239 H HIS 35 H HIS 35 1.103 8.758 3.012
240 HA HIS 35 HA HIS 35 3.635 10.109 3.062
241 HB2 HIS 35 1HB HIS 35 2.274 8.480 0.908
242 HB3 HIS 35 2HB HIS 35 3.919 9.100 0.794
243 HD1 HIS 35 HD1 HIS 35 5.493 8.242 2.930
244 HD2 HIS 35 HD2 HIS 35 2.173 5.970 1.893
245 HE1 HIS 35 HE1 HIS 35 5.897 5.968 3.926
246 H THR 36 H THR 36 0.985 10.188 0.673
247 HA THR 36 HA THR 36 1.829 12.409 -0.741
248 HB THR 36 HB THR 36 0.017 11.001 -1.549
249 HG1 THR 36 HG1 THR 36 -1.177 13.531 -1.153
250 HG21 THR 36 3HG2 THR 36 -2.112 10.869 -0.570
251 HG22 THR 36 1HG2 THR 36 -1.827 12.278 0.452
252 HG23 THR 36 2HG2 THR 36 -1.000 10.758 0.794
253 H GLY 37 H GLY 37 -0.180 12.258 2.171
254 HA2 GLY 37 1HA GLY 37 -0.910 13.900 3.604
255 HA3 GLY 37 2HA GLY 37 0.648 14.644 3.274
256 H GLU 38 H GLU 38 -2.117 14.122 1.110
257 HA GLU 38 HA GLU 38 -1.929 16.712 -0.007
258 HB2 GLU 38 1HB GLU 38 -2.922 14.725 -1.147
259 HB3 GLU 38 2HB GLU 38 -4.305 14.845 -0.068
260 HG2 GLU 38 1HG GLU 38 -3.421 16.976 -2.000
261 HG3 GLU 38 2HG GLU 38 -4.733 15.831 -2.270
262 H ASN 39 H ASN 39 -2.160 18.409 1.345
263 HA ASN 39 HA ASN 39 -4.730 18.639 2.760
264 HB2 ASN 39 1HB ASN 39 -3.222 20.143 4.361
265 HB3 ASN 39 2HB ASN 39 -3.402 18.410 4.614
266 HD21 ASN 39 1HD2 ASN 39 -1.381 20.731 2.859
267 HD22 ASN 39 2HD2 ASN 39 0.103 19.880 3.098
268 HA PRO 40 HA PRO 40 -5.246 22.564 0.870
269 HB2 PRO 40 1HB PRO 40 -6.378 24.028 2.856
270 HB3 PRO 40 2HB PRO 40 -7.238 22.742 2.001
271 HG2 PRO 40 1HG PRO 40 -5.882 22.663 4.668
272 HG3 PRO 40 2HG PRO 40 -7.447 21.983 4.189
273 HD2 PRO 40 1HD PRO 40 -5.207 20.477 4.397
274 HD3 PRO 40 2HD PRO 40 -6.485 20.128 3.216
275 H SER 41 H SER 41 -4.810 24.957 1.156
276 HA SER 41 HA SER 41 -2.084 25.356 1.746
277 HB2 SER 41 1HB SER 41 -4.373 27.159 1.048
278 HB3 SER 41 2HB SER 41 -2.853 27.867 1.597
279 HG SER 41 HG SER 41 -1.952 27.344 -0.236
280 H GLY 42 H GLY 42 -1.634 24.788 3.866
281 HA2 GLY 42 1HA GLY 42 -1.150 25.433 6.043
282 HA3 GLY 42 2HA GLY 42 -2.159 26.853 5.814
283 HA PRO 43 HA PRO 43 -5.115 23.205 7.022
284 HB2 PRO 43 1HB PRO 43 -3.911 20.969 7.982
285 HB3 PRO 43 2HB PRO 43 -4.290 21.197 6.270
286 HG2 PRO 43 1HG PRO 43 -1.689 21.581 7.702
287 HG3 PRO 43 2HG PRO 43 -2.000 20.818 6.131
288 HD2 PRO 43 1HD PRO 43 -1.073 23.351 6.362
289 HD3 PRO 43 2HD PRO 43 -2.134 22.840 5.034
290 H SER 44 H SER 44 -2.089 23.000 8.908
291 HA SER 44 HA SER 44 -2.950 22.575 11.412
292 HB2 SER 44 1HB SER 44 -0.947 24.713 10.646
293 HB3 SER 44 2HB SER 44 -1.100 23.977 12.241
294 HG SER 44 HG SER 44 -0.195 22.183 11.521
295 H SER 45 H SER 45 -4.049 23.587 13.011
296 HA SER 45 HA SER 45 -5.627 25.892 12.273
297 HB2 SER 45 1HB SER 45 -5.570 24.172 14.760
298 HB3 SER 45 2HB SER 45 -6.664 25.538 14.543
299 HG SER 45 HG SER 45 -7.808 23.834 13.829
300 H GLY 46 H GLY 46 -3.221 25.098 14.767
301 HA2 GLY 46 1HA GLY 46 -3.180 27.493 16.151
302 HA3 GLY 46 2HA GLY 46 -1.784 26.445 15.948
Start of MODEL 5
1 H1 GLY 1 H GLY 1 19.556 -26.222 11.084
2 HA2 GLY 1 1HA GLY 1 17.694 -25.476 13.122
3 HA3 GLY 1 2HA GLY 1 17.782 -24.809 11.499
4 H SER 2 H SER 2 15.515 -24.808 11.324
5 HA SER 2 HA SER 2 14.413 -27.119 10.138
6 HB2 SER 2 1HB SER 2 12.715 -27.712 11.787
7 HB3 SER 2 2HB SER 2 14.322 -27.885 12.494
8 HG SER 2 HG SER 2 14.023 -25.938 13.568
9 H SER 3 H SER 3 12.534 -26.667 9.040
10 HA SER 3 HA SER 3 11.081 -24.216 9.601
11 HB2 SER 3 1HB SER 3 11.371 -23.278 7.379
12 HB3 SER 3 2HB SER 3 12.955 -23.515 8.118
13 HG SER 3 HG SER 3 12.938 -25.594 6.939
14 H GLY 4 H GLY 4 9.093 -25.049 9.753
15 HA2 GLY 4 1HA GLY 4 8.233 -27.293 8.182
16 HA3 GLY 4 2HA GLY 4 7.247 -26.362 9.299
17 H SER 5 H SER 5 5.491 -26.321 7.878
18 HA SER 5 HA SER 5 5.674 -25.424 5.196
19 HB2 SER 5 1HB SER 5 3.195 -25.223 5.341
20 HB3 SER 5 2HB SER 5 3.791 -26.781 5.913
21 HG SER 5 HG SER 5 2.298 -25.034 7.219
22 H SER 6 H SER 6 5.709 -23.437 4.355
23 HA SER 6 HA SER 6 4.576 -21.158 5.641
24 HB2 SER 6 1HB SER 6 6.765 -19.910 5.851
25 HB3 SER 6 2HB SER 6 6.527 -21.199 7.031
26 HG SER 6 HG SER 6 7.744 -22.043 4.730
27 H GLY 7 H GLY 7 4.419 -19.387 4.269
28 HA2 GLY 7 1HA GLY 7 5.886 -18.860 1.983
29 HA3 GLY 7 2HA GLY 7 4.611 -19.963 1.486
30 H THR 8 H THR 8 4.253 -17.897 0.148
31 HA THR 8 HA THR 8 3.210 -15.855 -0.184
32 HB THR 8 HB THR 8 1.447 -17.565 -0.443
33 HG1 THR 8 HG1 THR 8 0.776 -15.485 -0.845
34 HG21 THR 8 3HG2 THR 8 -0.050 -18.138 1.302
35 HG22 THR 8 1HG2 THR 8 0.592 -16.885 2.364
36 HG23 THR 8 2HG2 THR 8 1.569 -18.303 1.982
37 H GLY 9 H GLY 9 4.826 -15.579 2.050
38 HA2 GLY 9 1HA GLY 9 3.310 -14.535 4.265
39 HA3 GLY 9 2HA GLY 9 5.055 -14.467 4.068
40 H GLU 10 H GLU 10 2.494 -13.228 1.947
41 HA GLU 10 HA GLU 10 3.363 -10.494 2.563
42 HB2 GLU 10 1HB GLU 10 3.256 -11.789 -0.150
43 HB3 GLU 10 2HB GLU 10 3.106 -10.047 0.036
44 HG2 GLU 10 1HG GLU 10 5.425 -11.627 1.108
45 HG3 GLU 10 2HG GLU 10 5.404 -10.890 -0.493
46 H LYS 11 H LYS 11 1.827 -8.931 1.227
47 HA LYS 11 HA LYS 11 -0.926 -9.904 1.635
48 HB2 LYS 11 1HB LYS 11 -0.052 -7.029 1.873
49 HB3 LYS 11 2HB LYS 11 -1.572 -7.743 2.393
50 HG2 LYS 11 1HG LYS 11 1.126 -8.325 3.598
51 HG3 LYS 11 2HG LYS 11 -0.088 -7.236 4.273
52 HD2 LYS 11 1HD LYS 11 -0.906 -10.025 3.644
53 HD3 LYS 11 2HD LYS 11 0.120 -9.760 5.055
54 HE2 LYS 11 1HE LYS 11 -2.453 -8.277 4.544
55 HE3 LYS 11 2HE LYS 11 -2.343 -9.741 5.519
56 HZ1 LYS 11 3HZ LYS 11 -2.246 -7.489 6.696
57 HZ2 LYS 11 1HZ LYS 11 -0.658 -7.394 6.119
58 HZ3 LYS 11 2HZ LYS 11 -1.112 -8.662 7.142
59 HA PRO 12 HA PRO 12 -1.842 -8.929 -2.547
60 HB2 PRO 12 1HB PRO 12 -4.459 -8.233 -2.349
61 HB3 PRO 12 2HB PRO 12 -3.894 -9.901 -2.194
62 HG2 PRO 12 1HG PRO 12 -4.602 -7.934 -0.051
63 HG3 PRO 12 2HG PRO 12 -5.002 -9.658 -0.164
64 HD2 PRO 12 1HD PRO 12 -2.984 -8.729 1.384
65 HD3 PRO 12 2HD PRO 12 -2.928 -10.318 0.593
66 H HIS 13 H HIS 13 -1.424 -6.623 -0.272
67 HA HIS 13 HA HIS 13 -1.565 -4.489 -2.237
68 HB2 HIS 13 1HB HIS 13 -3.035 -4.323 0.402
69 HB3 HIS 13 2HB HIS 13 -2.803 -2.981 -0.714
70 HD2 HIS 13 HD2 HIS 13 -5.333 -5.692 -0.011
71 HE1 HIS 13 HE1 HIS 13 -6.106 -4.362 -3.965
72 HE2 HIS 13 HE2 HIS 13 -7.001 -5.641 -1.988
73 H GLU 14 H GLU 14 0.529 -3.938 -2.186
74 HA GLU 14 HA GLU 14 1.803 -3.534 0.435
75 HB2 GLU 14 1HB GLU 14 2.762 -5.133 -1.394
76 HB3 GLU 14 2HB GLU 14 3.319 -3.646 -2.149
77 HG2 GLU 14 1HG GLU 14 4.622 -3.086 -0.211
78 HG3 GLU 14 2HG GLU 14 3.972 -4.467 0.670
79 H CYS 15 H CYS 15 2.894 -1.630 0.893
80 HA CYS 15 HA CYS 15 1.986 0.678 -0.623
81 HB2 CYS 15 1HB CYS 15 2.001 0.432 1.961
82 HB3 CYS 15 2HB CYS 15 3.717 0.804 1.831
83 H ARG 16 H ARG 16 3.198 0.758 -2.477
84 HA ARG 16 HA ARG 16 5.946 0.281 -2.685
85 HB2 ARG 16 1HB ARG 16 4.220 2.101 -4.375
86 HB3 ARG 16 2HB ARG 16 5.813 1.503 -4.819
87 HG2 ARG 16 1HG ARG 16 3.561 -0.371 -4.192
88 HG3 ARG 16 2HG ARG 16 3.766 0.330 -5.799
89 HD2 ARG 16 1HD ARG 16 5.956 -0.642 -6.001
90 HD3 ARG 16 2HD ARG 16 5.903 -1.208 -4.332
91 HE ARG 16 HE ARG 16 3.767 -2.424 -5.419
92 HH11 ARG 16 1HH1 ARG 16 7.086 -2.165 -6.435
93 HH12 ARG 16 2HH1 ARG 16 7.094 -3.698 -7.244
94 HH21 ARG 16 1HH2 ARG 16 3.765 -4.443 -6.479
95 HH22 ARG 16 2HH2 ARG 16 5.204 -4.992 -7.269
96 H GLU 17 H GLU 17 4.340 2.798 -1.143
97 HA GLU 17 HA GLU 17 6.183 4.917 -1.639
98 HB2 GLU 17 1HB GLU 17 4.152 4.500 0.558
99 HB3 GLU 17 2HB GLU 17 5.086 5.975 0.352
100 HG2 GLU 17 1HG GLU 17 3.407 4.896 -1.876
101 HG3 GLU 17 2HG GLU 17 2.701 5.875 -0.592
102 H CYS 18 H CYS 18 5.629 2.868 1.228
103 HA CYS 18 HA CYS 18 8.402 3.430 2.048
104 HB2 CYS 18 1HB CYS 18 7.628 2.835 4.353
105 HB3 CYS 18 2HB CYS 18 6.862 4.275 3.690
106 H GLY 19 H GLY 19 5.919 0.921 1.803
107 HA2 GLY 19 1HA GLY 19 6.944 -1.184 0.792
108 HA3 GLY 19 2HA GLY 19 8.023 -1.111 2.177
109 H LYS 20 H LYS 20 5.253 0.026 3.383
110 HA LYS 20 HA LYS 20 4.690 -2.154 4.997
111 HB2 LYS 20 1HB LYS 20 3.225 0.327 4.246
112 HB3 LYS 20 2HB LYS 20 2.316 -0.939 5.061
113 HG2 LYS 20 1HG LYS 20 4.360 -0.866 6.721
114 HG3 LYS 20 2HG LYS 20 4.524 0.768 6.075
115 HD2 LYS 20 1HD LYS 20 3.123 1.122 7.872
116 HD3 LYS 20 2HD LYS 20 1.962 0.909 6.559
117 HE2 LYS 20 1HE LYS 20 1.392 -1.241 7.251
118 HE3 LYS 20 2HE LYS 20 2.866 -1.429 8.200
119 HZ1 LYS 20 3HZ LYS 20 1.929 -0.476 9.973
120 HZ2 LYS 20 1HZ LYS 20 0.453 -0.783 9.207
121 HZ3 LYS 20 2HZ LYS 20 1.177 0.739 9.068
122 H SER 21 H SER 21 2.241 -3.008 5.036
123 HA SER 21 HA SER 21 1.255 -3.728 2.416
124 HB2 SER 21 1HB SER 21 2.104 -5.964 4.259
125 HB3 SER 21 2HB SER 21 1.556 -6.086 2.587
126 HG SER 21 HG SER 21 4.004 -5.980 3.341
127 H PHE 22 H PHE 22 -0.838 -4.619 2.457
128 HA PHE 22 HA PHE 22 -2.133 -4.887 5.064
129 HB2 PHE 22 1HB PHE 22 -3.278 -3.140 2.879
130 HB3 PHE 22 2HB PHE 22 -3.947 -3.401 4.486
131 HD1 PHE 22 HD2 PHE 22 -1.005 -2.005 2.709
132 HD2 PHE 22 HD1 PHE 22 -3.362 -2.006 6.253
133 HE1 PHE 22 HE2 PHE 22 0.253 -0.062 3.542
134 HE2 PHE 22 HE1 PHE 22 -2.108 -0.063 7.092
135 HZ PHE 22 HZ PHE 22 -0.297 0.912 5.737
136 H SER 23 H SER 23 -3.817 -6.321 5.107
137 HA SER 23 HA SER 23 -3.941 -8.269 3.072
138 HB2 SER 23 1HB SER 23 -5.875 -9.169 4.377
139 HB3 SER 23 2HB SER 23 -4.443 -8.869 5.362
140 HG SER 23 HG SER 23 -6.740 -8.042 5.967
141 H PHE 24 H PHE 24 -5.831 -5.408 3.736
142 HA PHE 24 HA PHE 24 -7.442 -5.974 1.335
143 HB2 PHE 24 1HB PHE 24 -8.231 -4.730 3.956
144 HB3 PHE 24 2HB PHE 24 -9.135 -4.383 2.486
145 HD1 PHE 24 HD2 PHE 24 -7.653 -7.470 3.975
146 HD2 PHE 24 HD1 PHE 24 -11.107 -5.538 2.409
147 HE1 PHE 24 HE2 PHE 24 -8.948 -9.538 4.290
148 HE2 PHE 24 HE1 PHE 24 -12.408 -7.603 2.723
149 HZ PHE 24 HZ PHE 24 -11.329 -9.607 3.663
150 H ASN 25 H ASN 25 -7.683 -4.361 -0.157
151 HA ASN 25 HA ASN 25 -5.695 -2.442 -0.427
152 HB2 ASN 25 1HB ASN 25 -7.496 -3.406 -2.117
153 HB3 ASN 25 2HB ASN 25 -8.359 -1.935 -1.676
154 HD21 ASN 25 1HD2 ASN 25 -6.455 -0.082 -1.441
155 HD22 ASN 25 2HD2 ASN 25 -5.612 0.137 -2.933
156 H SER 26 H SER 26 -9.122 -1.846 0.375
157 HA SER 26 HA SER 26 -9.241 0.777 0.806
158 HB2 SER 26 1HB SER 26 -10.812 0.385 2.670
159 HB3 SER 26 2HB SER 26 -11.104 -0.724 1.330
160 HG SER 26 HG SER 26 -10.438 -2.365 2.518
161 H GLN 27 H GLN 27 -7.580 -1.492 2.929
162 HA GLN 27 HA GLN 27 -6.975 0.340 4.991
163 HB2 GLN 27 1HB GLN 27 -5.463 -2.147 4.175
164 HB3 GLN 27 2HB GLN 27 -5.319 -1.311 5.715
165 HG2 GLN 27 1HG GLN 27 -7.697 -1.806 6.162
166 HG3 GLN 27 2HG GLN 27 -7.752 -2.733 4.663
167 HE21 GLN 27 1HE2 GLN 27 -5.587 -2.479 7.469
168 HE22 GLN 27 2HE2 GLN 27 -5.465 -4.181 7.742
169 H LEU 28 H LEU 28 -4.734 -1.046 2.584
170 HA LEU 28 HA LEU 28 -2.561 0.535 2.985
171 HB2 LEU 28 1HB LEU 28 -2.463 -1.240 1.408
172 HB3 LEU 28 2HB LEU 28 -3.703 -0.496 0.400
173 HG LEU 28 HG LEU 28 -2.177 1.214 -0.315
174 HD11 LEU 28 1HD1 LEU 28 -0.966 1.547 1.765
175 HD12 LEU 28 2HD1 LEU 28 0.155 1.260 0.434
176 HD13 LEU 28 3HD1 LEU 28 -0.194 -0.029 1.587
177 HD21 LEU 28 3HD2 LEU 28 -1.873 -0.512 -1.772
178 HD22 LEU 28 1HD2 LEU 28 -1.350 -1.632 -0.514
179 HD23 LEU 28 2HD2 LEU 28 -0.239 -0.402 -1.117
180 H ILE 29 H ILE 29 -5.549 1.433 1.413
181 HA ILE 29 HA ILE 29 -4.626 3.845 0.238
182 HB ILE 29 HB ILE 29 -7.455 3.264 1.106
183 HG12 ILE 29 1HG1 ILE 29 -6.162 1.506 -0.382
184 HG13 ILE 29 2HG1 ILE 29 -7.820 1.960 -0.762
185 HG21 ILE 29 1HG2 ILE 29 -7.113 5.547 0.438
186 HG22 ILE 29 2HG2 ILE 29 -6.281 5.036 -1.029
187 HG23 ILE 29 3HG2 ILE 29 -8.003 4.711 -0.834
188 HD11 ILE 29 3HD1 ILE 29 -7.056 3.470 -2.473
189 HD12 ILE 29 1HD1 ILE 29 -5.375 3.155 -2.043
190 HD13 ILE 29 2HD1 ILE 29 -6.363 1.870 -2.738
191 H VAL 30 H VAL 30 -6.190 3.091 3.325
192 HA VAL 30 HA VAL 30 -6.431 5.774 4.204
193 HB VAL 30 HB VAL 30 -6.322 3.215 5.806
194 HG11 VAL 30 1HG1 VAL 30 -7.145 5.995 6.636
195 HG12 VAL 30 2HG1 VAL 30 -7.368 4.537 7.605
196 HG13 VAL 30 3HG1 VAL 30 -5.742 5.097 7.214
197 HG21 VAL 30 3HG2 VAL 30 -8.354 4.440 4.170
198 HG22 VAL 30 1HG2 VAL 30 -8.357 2.872 4.977
199 HG23 VAL 30 2HG2 VAL 30 -8.889 4.312 5.846
200 H HIS 31 H HIS 31 -3.821 3.494 4.202
201 HA HIS 31 HA HIS 31 -2.261 4.917 6.175
202 HB2 HIS 31 1HB HIS 31 -1.763 2.650 6.217
203 HB3 HIS 31 2HB HIS 31 -1.832 2.497 4.464
204 HD1 HIS 31 HD1 HIS 31 0.417 3.977 7.137
205 HD2 HIS 31 HD2 HIS 31 0.593 2.566 3.233
206 HE1 HIS 31 HE1 HIS 31 2.858 3.976 6.532
207 H GLN 32 H GLN 32 -2.096 4.382 2.663
208 HA GLN 32 HA GLN 32 0.188 5.805 2.077
209 HB2 GLN 32 1HB GLN 32 -2.352 5.353 0.543
210 HB3 GLN 32 2HB GLN 32 -1.063 6.340 -0.133
211 HG2 GLN 32 1HG GLN 32 0.412 4.258 0.480
212 HG3 GLN 32 2HG GLN 32 -1.136 3.419 0.403
213 HE21 GLN 32 1HE2 GLN 32 -0.262 2.250 -1.383
214 HE22 GLN 32 2HE2 GLN 32 -0.235 2.956 -2.959
215 H ARG 33 H ARG 33 -2.908 6.990 3.067
216 HA ARG 33 HA ARG 33 -2.778 9.615 2.094
217 HB2 ARG 33 1HB ARG 33 -4.017 8.877 4.737
218 HB3 ARG 33 2HB ARG 33 -4.519 10.126 3.606
219 HG2 ARG 33 1HG ARG 33 -4.882 8.066 2.009
220 HG3 ARG 33 2HG ARG 33 -5.008 7.198 3.541
221 HD2 ARG 33 1HD ARG 33 -7.193 7.970 2.692
222 HD3 ARG 33 2HD ARG 33 -6.790 8.651 4.267
223 HE ARG 33 HE ARG 33 -6.049 10.325 2.048
224 HH11 ARG 33 1HH1 ARG 33 -8.590 9.450 4.262
225 HH12 ARG 33 2HH1 ARG 33 -9.425 10.960 4.103
226 HH21 ARG 33 1HH2 ARG 33 -7.139 12.316 1.831
227 HH22 ARG 33 2HH2 ARG 33 -8.600 12.589 2.720
228 H ILE 34 H ILE 34 -0.769 8.083 4.278
229 HA ILE 34 HA ILE 34 -0.188 10.424 5.893
230 HB ILE 34 HB ILE 34 1.234 9.076 7.178
231 HG12 ILE 34 1HG1 ILE 34 1.236 7.069 4.912
232 HG13 ILE 34 2HG1 ILE 34 2.559 8.157 5.319
233 HG21 ILE 34 1HG2 ILE 34 -0.736 8.247 7.894
234 HG22 ILE 34 2HG2 ILE 34 -1.268 7.821 6.268
235 HG23 ILE 34 3HG2 ILE 34 -0.154 6.765 7.136
236 HD11 ILE 34 3HD1 ILE 34 2.525 7.025 7.612
237 HD12 ILE 34 1HD1 ILE 34 1.552 5.780 6.829
238 HD13 ILE 34 2HD1 ILE 34 3.181 6.122 6.247
239 H HIS 35 H HIS 35 1.062 8.786 3.095
240 HA HIS 35 HA HIS 35 3.616 10.118 3.144
241 HB2 HIS 35 1HB HIS 35 2.247 8.483 1.001
242 HB3 HIS 35 2HB HIS 35 3.890 9.104 0.879
243 HD1 HIS 35 HD1 HIS 35 5.416 8.281 3.110
244 HD2 HIS 35 HD2 HIS 35 2.209 5.940 1.887
245 HE1 HIS 35 HE1 HIS 35 5.839 6.001 4.081
246 H THR 36 H THR 36 0.731 10.300 1.060
247 HA THR 36 HA THR 36 1.702 12.772 -0.124
248 HB THR 36 HB THR 36 0.697 11.310 -1.701
249 HG1 THR 36 HG1 THR 36 -0.183 13.709 -1.335
250 HG21 THR 36 3HG2 THR 36 -0.595 9.775 -0.563
251 HG22 THR 36 1HG2 THR 36 -1.840 10.770 -1.317
252 HG23 THR 36 2HG2 THR 36 -1.425 11.012 0.380
253 H GLY 37 H GLY 37 1.603 13.963 1.923
254 HA2 GLY 37 1HA GLY 37 -0.411 15.788 2.097
255 HA3 GLY 37 2HA GLY 37 -0.967 14.470 3.118
256 H GLU 38 H GLU 38 0.686 13.706 4.767
257 HA GLU 38 HA GLU 38 2.001 16.073 5.925
258 HB2 GLU 38 1HB GLU 38 0.593 13.735 7.172
259 HB3 GLU 38 2HB GLU 38 1.800 14.631 8.085
260 HG2 GLU 38 1HG GLU 38 0.494 16.707 7.624
261 HG3 GLU 38 2HG GLU 38 -0.762 15.689 6.920
262 H ASN 39 H ASN 39 3.907 15.587 7.312
263 HA ASN 39 HA ASN 39 5.395 13.212 6.445
264 HB2 ASN 39 1HB ASN 39 6.743 15.900 6.587
265 HB3 ASN 39 2HB ASN 39 7.311 14.425 5.810
266 HD21 ASN 39 1HD2 ASN 39 6.589 13.901 3.778
267 HD22 ASN 39 2HD2 ASN 39 5.697 15.000 2.787
268 HA PRO 40 HA PRO 40 6.555 12.862 10.666
269 HB2 PRO 40 1HB PRO 40 8.967 11.639 10.430
270 HB3 PRO 40 2HB PRO 40 7.436 10.811 10.122
271 HG2 PRO 40 1HG PRO 40 9.367 12.010 8.173
272 HG3 PRO 40 2HG PRO 40 8.501 10.465 8.084
273 HD2 PRO 40 1HD PRO 40 7.693 12.668 6.733
274 HD3 PRO 40 2HD PRO 40 6.553 11.455 7.350
275 H SER 41 H SER 41 8.509 13.249 12.154
276 HA SER 41 HA SER 41 9.272 15.966 11.920
277 HB2 SER 41 1HB SER 41 10.443 13.873 13.766
278 HB3 SER 41 2HB SER 41 10.498 15.622 13.984
279 HG SER 41 HG SER 41 8.371 13.843 14.327
280 H GLY 42 H GLY 42 10.735 16.715 10.540
281 HA2 GLY 42 1HA GLY 42 12.591 16.832 9.185
282 HA3 GLY 42 2HA GLY 42 13.422 16.140 10.570
283 HA PRO 43 HA PRO 43 12.147 12.525 7.576
284 HB2 PRO 43 1HB PRO 43 11.653 13.292 5.020
285 HB3 PRO 43 2HB PRO 43 10.385 13.157 6.244
286 HG2 PRO 43 1HG PRO 43 11.826 15.594 5.270
287 HG3 PRO 43 2HG PRO 43 10.099 15.375 5.607
288 HD2 PRO 43 1HD PRO 43 11.778 16.600 7.343
289 HD3 PRO 43 2HD PRO 43 10.379 15.648 7.879
290 H SER 44 H SER 44 13.696 15.292 5.946
291 HA SER 44 HA SER 44 15.846 13.502 5.054
292 HB2 SER 44 1HB SER 44 14.965 16.235 4.116
293 HB3 SER 44 2HB SER 44 16.472 15.485 3.588
294 HG SER 44 HG SER 44 14.816 15.026 2.121
295 H SER 45 H SER 45 18.067 14.372 5.113
296 HA SER 45 HA SER 45 18.555 15.637 7.697
297 HB2 SER 45 1HB SER 45 20.164 13.949 5.830
298 HB3 SER 45 2HB SER 45 21.020 15.033 6.925
299 HG SER 45 HG SER 45 19.237 12.935 7.584
300 H GLY 46 H GLY 46 19.623 15.997 4.314
301 HA2 GLY 46 1HA GLY 46 21.245 18.123 4.340
302 HA3 GLY 46 2HA GLY 46 19.974 17.971 3.136
Start of MODEL 6
1 H1 GLY 1 H GLY 1 18.412 -8.956 21.202
2 HA2 GLY 1 1HA GLY 1 18.082 -11.328 19.678
3 HA3 GLY 1 2HA GLY 1 16.591 -10.398 19.680
4 H SER 2 H SER 2 16.429 -8.583 18.442
5 HA SER 2 HA SER 2 16.865 -7.382 16.534
6 HB2 SER 2 1HB SER 2 17.856 -6.018 18.362
7 HB3 SER 2 2HB SER 2 19.410 -6.798 18.069
8 HG SER 2 HG SER 2 18.592 -4.654 16.929
9 H SER 3 H SER 3 17.496 -10.049 16.119
10 HA SER 3 HA SER 3 20.102 -10.102 14.805
11 HB2 SER 3 1HB SER 3 19.648 -12.508 14.487
12 HB3 SER 3 2HB SER 3 19.487 -12.035 16.178
13 HG SER 3 HG SER 3 17.377 -12.415 14.317
14 H GLY 4 H GLY 4 20.191 -9.310 12.809
15 HA2 GLY 4 1HA GLY 4 19.593 -8.763 10.655
16 HA3 GLY 4 2HA GLY 4 18.956 -10.400 10.607
17 H SER 5 H SER 5 18.201 -7.033 10.945
18 HA SER 5 HA SER 5 15.484 -7.269 11.664
19 HB2 SER 5 1HB SER 5 17.085 -5.176 11.560
20 HB3 SER 5 2HB SER 5 16.426 -5.016 9.932
21 HG SER 5 HG SER 5 15.262 -3.886 11.653
22 H SER 6 H SER 6 13.642 -7.475 10.483
23 HA SER 6 HA SER 6 13.990 -8.079 7.621
24 HB2 SER 6 1HB SER 6 13.137 -9.865 9.335
25 HB3 SER 6 2HB SER 6 11.609 -8.993 9.203
26 HG SER 6 HG SER 6 11.339 -9.760 7.255
27 H GLY 7 H GLY 7 12.146 -7.561 6.215
28 HA2 GLY 7 1HA GLY 7 10.175 -5.676 7.118
29 HA3 GLY 7 2HA GLY 7 11.458 -4.917 6.187
30 H THR 8 H THR 8 9.116 -7.584 6.047
31 HA THR 8 HA THR 8 8.597 -6.895 3.252
32 HB THR 8 HB THR 8 8.547 -9.350 2.669
33 HG1 THR 8 HG1 THR 8 8.633 -10.463 4.524
34 HG21 THR 8 3HG2 THR 8 11.178 -9.486 2.771
35 HG22 THR 8 1HG2 THR 8 11.023 -7.807 3.284
36 HG23 THR 8 2HG2 THR 8 10.371 -8.317 1.727
37 H GLY 9 H GLY 9 6.632 -8.065 2.415
38 HA2 GLY 9 1HA GLY 9 4.780 -8.975 4.475
39 HA3 GLY 9 2HA GLY 9 4.345 -7.491 3.639
40 H GLU 10 H GLU 10 3.406 -10.472 3.738
41 HA GLU 10 HA GLU 10 3.357 -10.948 0.842
42 HB2 GLU 10 1HB GLU 10 4.030 -12.717 2.676
43 HB3 GLU 10 2HB GLU 10 2.289 -12.910 2.829
44 HG2 GLU 10 1HG GLU 10 2.112 -13.499 0.493
45 HG3 GLU 10 2HG GLU 10 3.835 -13.210 0.265
46 H LYS 11 H LYS 11 1.803 -8.894 1.345
47 HA LYS 11 HA LYS 11 -0.935 -9.955 1.572
48 HB2 LYS 11 1HB LYS 11 -0.162 -7.057 1.843
49 HB3 LYS 11 2HB LYS 11 -1.656 -7.835 2.349
50 HG2 LYS 11 1HG LYS 11 1.043 -8.374 3.570
51 HG3 LYS 11 2HG LYS 11 -0.151 -7.248 4.222
52 HD2 LYS 11 1HD LYS 11 -1.727 -9.043 4.556
53 HD3 LYS 11 2HD LYS 11 -0.645 -10.189 3.761
54 HE2 LYS 11 1HE LYS 11 -0.296 -10.591 6.028
55 HE3 LYS 11 2HE LYS 11 1.045 -9.535 5.585
56 HZ1 LYS 11 3HZ LYS 11 -0.150 -8.968 7.703
57 HZ2 LYS 11 1HZ LYS 11 -1.475 -8.510 6.755
58 HZ3 LYS 11 2HZ LYS 11 0.001 -7.700 6.593
59 HA PRO 12 HA PRO 12 -1.753 -8.963 -2.626
60 HB2 PRO 12 1HB PRO 12 -4.385 -8.310 -2.498
61 HB3 PRO 12 2HB PRO 12 -3.798 -9.970 -2.337
62 HG2 PRO 12 1HG PRO 12 -4.599 -8.028 -0.204
63 HG3 PRO 12 2HG PRO 12 -4.968 -9.757 -0.338
64 HD2 PRO 12 1HD PRO 12 -3.010 -8.806 1.272
65 HD3 PRO 12 2HD PRO 12 -2.905 -10.389 0.474
66 H HIS 13 H HIS 13 -1.446 -6.665 -0.322
67 HA HIS 13 HA HIS 13 -1.605 -4.519 -2.283
68 HB2 HIS 13 1HB HIS 13 -3.059 -4.420 0.367
69 HB3 HIS 13 2HB HIS 13 -2.829 -3.041 -0.703
70 HD2 HIS 13 HD2 HIS 13 -5.363 -5.763 -0.083
71 HE1 HIS 13 HE1 HIS 13 -6.124 -4.332 -4.004
72 HE2 HIS 13 HE2 HIS 13 -7.026 -5.658 -2.062
73 H GLU 14 H GLU 14 0.483 -3.940 -2.254
74 HA GLU 14 HA GLU 14 1.781 -3.535 0.355
75 HB2 GLU 14 1HB GLU 14 2.709 -5.094 -1.577
76 HB3 GLU 14 2HB GLU 14 3.335 -3.570 -2.191
77 HG2 GLU 14 1HG GLU 14 4.720 -3.252 -0.353
78 HG3 GLU 14 2HG GLU 14 3.823 -4.399 0.641
79 H CYS 15 H CYS 15 2.990 -1.645 0.733
80 HA CYS 15 HA CYS 15 2.026 0.662 -0.779
81 HB2 CYS 15 1HB CYS 15 1.865 0.560 1.740
82 HB3 CYS 15 2HB CYS 15 3.622 0.664 1.786
83 H ARG 16 H ARG 16 3.236 1.315 -2.424
84 HA ARG 16 HA ARG 16 5.979 0.628 -2.723
85 HB2 ARG 16 1HB ARG 16 4.355 1.031 -4.601
86 HB3 ARG 16 2HB ARG 16 4.450 2.748 -4.234
87 HG2 ARG 16 1HG ARG 16 5.995 2.631 -5.894
88 HG3 ARG 16 2HG ARG 16 7.038 2.302 -4.509
89 HD2 ARG 16 1HD ARG 16 6.510 -0.168 -4.945
90 HD3 ARG 16 2HD ARG 16 5.908 0.372 -6.512
91 HE ARG 16 HE ARG 16 8.552 1.318 -5.933
92 HH11 ARG 16 1HH1 ARG 16 6.694 -1.356 -7.166
93 HH12 ARG 16 2HH1 ARG 16 7.992 -1.985 -8.125
94 HH21 ARG 16 1HH2 ARG 16 10.269 0.498 -7.192
95 HH22 ARG 16 2HH2 ARG 16 10.026 -0.930 -8.138
96 H GLU 17 H GLU 17 4.395 3.092 -1.023
97 HA GLU 17 HA GLU 17 6.355 5.145 -1.260
98 HB2 GLU 17 1HB GLU 17 4.324 4.702 0.935
99 HB3 GLU 17 2HB GLU 17 5.203 6.192 0.623
100 HG2 GLU 17 1HG GLU 17 3.439 4.960 -1.459
101 HG3 GLU 17 2HG GLU 17 2.789 6.009 -0.200
102 H CYS 18 H CYS 18 5.589 2.884 1.390
103 HA CYS 18 HA CYS 18 8.339 3.261 2.380
104 HB2 CYS 18 1HB CYS 18 7.493 2.599 4.591
105 HB3 CYS 18 2HB CYS 18 6.639 4.009 3.974
106 H GLY 19 H GLY 19 5.783 0.882 1.798
107 HA2 GLY 19 1HA GLY 19 6.608 -1.186 0.672
108 HA3 GLY 19 2HA GLY 19 7.854 -1.225 1.911
109 H LYS 20 H LYS 20 4.863 -0.155 3.081
110 HA LYS 20 HA LYS 20 4.580 -2.356 4.831
111 HB2 LYS 20 1HB LYS 20 3.006 0.086 4.196
112 HB3 LYS 20 2HB LYS 20 2.166 -1.221 5.020
113 HG2 LYS 20 1HG LYS 20 4.198 -1.151 6.639
114 HG3 LYS 20 2HG LYS 20 4.437 0.465 5.969
115 HD2 LYS 20 1HD LYS 20 3.068 0.966 7.733
116 HD3 LYS 20 2HD LYS 20 1.857 0.682 6.481
117 HE2 LYS 20 1HE LYS 20 1.998 -1.789 7.347
118 HE3 LYS 20 2HE LYS 20 2.634 -1.025 8.803
119 HZ1 LYS 20 3HZ LYS 20 -0.004 -1.342 8.160
120 HZ2 LYS 20 1HZ LYS 20 0.293 0.293 7.839
121 HZ3 LYS 20 2HZ LYS 20 0.615 -0.339 9.375
122 H SER 21 H SER 21 2.355 -3.486 5.020
123 HA SER 21 HA SER 21 1.268 -4.210 2.404
124 HB2 SER 21 1HB SER 21 1.540 -6.573 2.756
125 HB3 SER 21 2HB SER 21 3.117 -5.818 2.986
126 HG SER 21 HG SER 21 2.756 -5.923 5.236
127 H PHE 22 H PHE 22 -0.879 -4.513 2.433
128 HA PHE 22 HA PHE 22 -2.194 -4.898 5.037
129 HB2 PHE 22 1HB PHE 22 -3.227 -3.110 2.828
130 HB3 PHE 22 2HB PHE 22 -3.933 -3.332 4.425
131 HD1 PHE 22 HD2 PHE 22 -0.850 -2.138 2.728
132 HD2 PHE 22 HD1 PHE 22 -3.358 -1.909 6.159
133 HE1 PHE 22 HE2 PHE 22 0.487 -0.254 3.575
134 HE2 PHE 22 HE1 PHE 22 -2.026 -0.024 7.012
135 HZ PHE 22 HZ PHE 22 -0.100 0.805 5.720
136 H SER 23 H SER 23 -3.554 -6.561 5.091
137 HA SER 23 HA SER 23 -3.891 -8.335 2.972
138 HB2 SER 23 1HB SER 23 -5.847 -8.053 5.256
139 HB3 SER 23 2HB SER 23 -5.426 -9.513 4.362
140 HG SER 23 HG SER 23 -4.420 -9.215 6.500
141 H PHE 24 H PHE 24 -5.613 -5.448 3.766
142 HA PHE 24 HA PHE 24 -7.509 -6.000 1.579
143 HB2 PHE 24 1HB PHE 24 -7.936 -4.703 4.248
144 HB3 PHE 24 2HB PHE 24 -8.944 -4.238 2.882
145 HD1 PHE 24 HD2 PHE 24 -7.767 -7.254 4.718
146 HD2 PHE 24 HD1 PHE 24 -10.860 -5.437 2.428
147 HE1 PHE 24 HE2 PHE 24 -9.210 -9.205 5.127
148 HE2 PHE 24 HE1 PHE 24 -12.309 -7.384 2.834
149 HZ PHE 24 HZ PHE 24 -11.484 -9.272 4.184
150 H ASN 25 H ASN 25 -8.073 -4.253 0.225
151 HA ASN 25 HA ASN 25 -5.945 -2.469 -0.340
152 HB2 ASN 25 1HB ASN 25 -7.427 -3.315 -2.098
153 HB3 ASN 25 2HB ASN 25 -8.793 -2.477 -1.367
154 HD21 ASN 25 1HD2 ASN 25 -5.587 -1.923 -2.745
155 HD22 ASN 25 2HD2 ASN 25 -5.951 -0.374 -3.418
156 H SER 26 H SER 26 -9.305 -1.773 0.649
157 HA SER 26 HA SER 26 -9.323 0.870 1.004
158 HB2 SER 26 1HB SER 26 -10.830 0.582 2.929
159 HB3 SER 26 2HB SER 26 -11.202 -0.575 1.652
160 HG SER 26 HG SER 26 -10.543 -1.057 4.192
161 H GLN 27 H GLN 27 -7.635 -1.398 3.105
162 HA GLN 27 HA GLN 27 -6.881 0.465 5.091
163 HB2 GLN 27 1HB GLN 27 -5.477 -2.085 4.277
164 HB3 GLN 27 2HB GLN 27 -5.255 -1.219 5.792
165 HG2 GLN 27 1HG GLN 27 -7.683 -1.615 6.264
166 HG3 GLN 27 2HG GLN 27 -7.712 -2.672 4.853
167 HE21 GLN 27 1HE2 GLN 27 -5.825 -2.141 7.810
168 HE22 GLN 27 2HE2 GLN 27 -5.603 -3.815 8.173
169 H LEU 28 H LEU 28 -4.830 -1.035 2.583
170 HA LEU 28 HA LEU 28 -2.585 0.495 2.862
171 HB2 LEU 28 1HB LEU 28 -2.561 -1.333 1.359
172 HB3 LEU 28 2HB LEU 28 -3.857 -0.639 0.386
173 HG LEU 28 HG LEU 28 -2.341 1.092 -0.421
174 HD11 LEU 28 1HD1 LEU 28 -0.936 1.183 1.628
175 HD12 LEU 28 2HD1 LEU 28 -0.010 1.118 0.128
176 HD13 LEU 28 3HD1 LEU 28 -0.179 -0.328 1.124
177 HD21 LEU 28 3HD2 LEU 28 -2.522 -1.221 -1.478
178 HD22 LEU 28 1HD2 LEU 28 -0.955 -1.553 -0.739
179 HD23 LEU 28 2HD2 LEU 28 -1.117 -0.245 -1.911
180 H ILE 29 H ILE 29 -5.619 1.407 1.400
181 HA ILE 29 HA ILE 29 -4.669 3.760 0.104
182 HB ILE 29 HB ILE 29 -7.498 3.265 1.020
183 HG12 ILE 29 1HG1 ILE 29 -6.259 1.405 -0.386
184 HG13 ILE 29 2HG1 ILE 29 -7.910 1.875 -0.773
185 HG21 ILE 29 1HG2 ILE 29 -7.070 5.509 0.226
186 HG22 ILE 29 2HG2 ILE 29 -6.330 4.876 -1.243
187 HG23 ILE 29 3HG2 ILE 29 -8.052 4.637 -0.951
188 HD11 ILE 29 3HD1 ILE 29 -6.454 1.644 -2.749
189 HD12 ILE 29 1HD1 ILE 29 -7.146 3.257 -2.577
190 HD13 ILE 29 2HD1 ILE 29 -5.463 2.968 -2.136
191 H VAL 30 H VAL 30 -6.204 3.118 3.230
192 HA VAL 30 HA VAL 30 -6.373 5.842 4.021
193 HB VAL 30 HB VAL 30 -6.370 3.334 5.706
194 HG11 VAL 30 1HG1 VAL 30 -5.958 4.870 7.328
195 HG12 VAL 30 2HG1 VAL 30 -6.617 6.208 6.385
196 HG13 VAL 30 3HG1 VAL 30 -7.704 5.087 7.205
197 HG21 VAL 30 3HG2 VAL 30 -8.352 3.041 4.698
198 HG22 VAL 30 1HG2 VAL 30 -8.904 4.354 5.739
199 HG23 VAL 30 2HG2 VAL 30 -8.393 4.695 4.086
200 H HIS 31 H HIS 31 -3.848 3.476 4.084
201 HA HIS 31 HA HIS 31 -2.253 4.846 6.057
202 HB2 HIS 31 1HB HIS 31 -1.833 2.556 6.056
203 HB3 HIS 31 2HB HIS 31 -1.858 2.450 4.298
204 HD1 HIS 31 HD1 HIS 31 0.357 3.683 7.106
205 HD2 HIS 31 HD2 HIS 31 0.594 2.617 3.098
206 HE1 HIS 31 HE1 HIS 31 2.811 3.672 6.558
207 H GLN 32 H GLN 32 -2.083 4.348 2.539
208 HA GLN 32 HA GLN 32 0.234 5.731 1.984
209 HB2 GLN 32 1HB GLN 32 -2.306 5.367 0.420
210 HB3 GLN 32 2HB GLN 32 -0.967 6.300 -0.234
211 HG2 GLN 32 1HG GLN 32 0.405 4.148 0.404
212 HG3 GLN 32 2HG GLN 32 -1.179 3.383 0.279
213 HE21 GLN 32 1HE2 GLN 32 -0.381 2.186 -1.501
214 HE22 GLN 32 2HE2 GLN 32 -0.253 2.906 -3.067
215 H ARG 33 H ARG 33 -2.832 6.964 2.989
216 HA ARG 33 HA ARG 33 -2.637 9.600 2.035
217 HB2 ARG 33 1HB ARG 33 -3.946 8.813 4.634
218 HB3 ARG 33 2HB ARG 33 -4.377 10.138 3.561
219 HG2 ARG 33 1HG ARG 33 -4.819 8.219 1.845
220 HG3 ARG 33 2HG ARG 33 -4.940 7.225 3.298
221 HD2 ARG 33 1HD ARG 33 -7.135 7.923 2.878
222 HD3 ARG 33 2HD ARG 33 -6.568 8.990 4.161
223 HE ARG 33 HE ARG 33 -6.237 10.006 1.473
224 HH11 ARG 33 1HH1 ARG 33 -8.258 9.852 4.303
225 HH12 ARG 33 2HH1 ARG 33 -9.133 11.297 3.916
226 HH21 ARG 33 1HH2 ARG 33 -7.381 11.909 0.953
227 HH22 ARG 33 2HH2 ARG 33 -8.634 12.466 2.010
228 H ILE 34 H ILE 34 -0.677 8.001 4.199
229 HA ILE 34 HA ILE 34 -0.089 10.289 5.886
230 HB ILE 34 HB ILE 34 1.322 8.892 7.135
231 HG12 ILE 34 1HG1 ILE 34 1.301 6.942 4.821
232 HG13 ILE 34 2HG1 ILE 34 2.634 8.012 5.242
233 HG21 ILE 34 1HG2 ILE 34 -1.205 7.723 6.203
234 HG22 ILE 34 2HG2 ILE 34 -0.104 6.592 6.988
235 HG23 ILE 34 3HG2 ILE 34 -0.634 8.041 7.841
236 HD11 ILE 34 3HD1 ILE 34 3.244 5.949 6.118
237 HD12 ILE 34 1HD1 ILE 34 2.616 6.834 7.508
238 HD13 ILE 34 2HD1 ILE 34 1.618 5.615 6.714
239 H HIS 35 H HIS 35 1.156 8.745 3.038
240 HA HIS 35 HA HIS 35 3.713 10.086 3.151
241 HB2 HIS 35 1HB HIS 35 2.400 8.440 0.980
242 HB3 HIS 35 2HB HIS 35 4.035 9.087 0.884
243 HD1 HIS 35 HD1 HIS 35 5.611 8.242 3.016
244 HD2 HIS 35 HD2 HIS 35 2.321 5.930 1.972
245 HE1 HIS 35 HE1 HIS 35 6.040 5.974 4.013
246 H THR 36 H THR 36 0.840 10.250 1.051
247 HA THR 36 HA THR 36 1.794 12.780 -0.053
248 HB THR 36 HB THR 36 0.971 11.233 -1.698
249 HG1 THR 36 HG1 THR 36 0.382 13.237 -2.328
250 HG21 THR 36 3HG2 THR 36 -0.471 9.730 -0.756
251 HG22 THR 36 1HG2 THR 36 -1.643 10.804 -1.519
252 HG23 THR 36 2HG2 THR 36 -1.298 10.957 0.204
253 H GLY 37 H GLY 37 1.459 13.751 2.150
254 HA2 GLY 37 1HA GLY 37 -0.541 15.579 2.233
255 HA3 GLY 37 2HA GLY 37 -1.267 14.175 3.001
256 H GLU 38 H GLU 38 0.315 13.143 4.695
257 HA GLU 38 HA GLU 38 0.714 15.140 6.697
258 HB2 GLU 38 1HB GLU 38 0.015 12.680 7.011
259 HB3 GLU 38 2HB GLU 38 1.728 12.313 6.864
260 HG2 GLU 38 1HG GLU 38 2.019 14.077 8.732
261 HG3 GLU 38 2HG GLU 38 0.298 13.818 9.010
262 H ASN 39 H ASN 39 2.497 16.240 7.199
263 HA ASN 39 HA ASN 39 5.048 15.362 6.013
264 HB2 ASN 39 1HB ASN 39 4.067 18.186 6.485
265 HB3 ASN 39 2HB ASN 39 5.679 17.763 5.915
266 HD21 ASN 39 1HD2 ASN 39 2.268 17.187 5.143
267 HD22 ASN 39 2HD2 ASN 39 2.466 17.267 3.429
268 HA PRO 40 HA PRO 40 5.598 15.302 10.585
269 HB2 PRO 40 1HB PRO 40 7.228 13.132 10.571
270 HB3 PRO 40 2HB PRO 40 5.465 13.009 10.582
271 HG2 PRO 40 1HG PRO 40 7.367 12.771 8.282
272 HG3 PRO 40 2HG PRO 40 5.946 11.782 8.666
273 HD2 PRO 40 1HD PRO 40 5.893 13.747 6.804
274 HD3 PRO 40 2HD PRO 40 4.477 13.327 7.790
275 H SER 41 H SER 41 7.397 16.137 7.964
276 HA SER 41 HA SER 41 9.340 17.294 7.702
277 HB2 SER 41 1HB SER 41 9.524 17.266 10.723
278 HB3 SER 41 2HB SER 41 10.374 18.352 9.623
279 HG SER 41 HG SER 41 8.566 19.398 10.444
280 H GLY 42 H GLY 42 9.621 14.748 7.158
281 HA2 GLY 42 1HA GLY 42 12.318 14.157 8.094
282 HA3 GLY 42 2HA GLY 42 11.096 12.937 8.425
283 HA PRO 43 HA PRO 43 11.504 11.204 4.424
284 HB2 PRO 43 1HB PRO 43 8.951 10.851 3.570
285 HB3 PRO 43 2HB PRO 43 9.676 9.881 4.858
286 HG2 PRO 43 1HG PRO 43 7.851 12.245 5.065
287 HG3 PRO 43 2HG PRO 43 7.823 10.727 5.981
288 HD2 PRO 43 1HD PRO 43 8.866 13.016 6.984
289 HD3 PRO 43 2HD PRO 43 9.499 11.412 7.408
290 H SER 44 H SER 44 9.973 14.239 4.742
291 HA SER 44 HA SER 44 10.505 14.809 1.910
292 HB2 SER 44 1HB SER 44 8.438 16.288 1.942
293 HB3 SER 44 2HB SER 44 8.134 14.551 1.952
294 HG SER 44 HG SER 44 6.910 15.852 3.508
295 H SER 45 H SER 45 10.750 17.125 1.456
296 HA SER 45 HA SER 45 12.180 18.423 3.638
297 HB2 SER 45 1HB SER 45 12.901 20.020 1.831
298 HB3 SER 45 2HB SER 45 13.366 18.343 1.547
299 HG SER 45 HG SER 45 10.940 18.800 0.499
300 H GLY 46 H GLY 46 11.598 20.318 4.585
301 HA2 GLY 46 1HA GLY 46 10.041 22.359 3.757
302 HA3 GLY 46 2HA GLY 46 8.851 21.157 4.232
Start of MODEL 7
1 H1 GLY 1 H GLY 1 25.877 -1.306 4.749
2 HA2 GLY 1 1HA GLY 1 24.491 -0.399 2.513
3 HA3 GLY 1 2HA GLY 1 25.980 -1.122 1.923
4 H SER 2 H SER 2 22.828 -1.739 2.427
5 HA SER 2 HA SER 2 23.255 -4.604 2.330
6 HB2 SER 2 1HB SER 2 21.787 -5.128 4.194
7 HB3 SER 2 2HB SER 2 23.098 -4.097 4.764
8 HG SER 2 HG SER 2 21.691 -2.353 4.753
9 H SER 3 H SER 3 21.419 -5.772 1.584
10 HA SER 3 HA SER 3 19.638 -4.124 -0.028
11 HB2 SER 3 1HB SER 3 20.959 -6.310 -0.741
12 HB3 SER 3 2HB SER 3 19.532 -7.110 -0.082
13 HG SER 3 HG SER 3 18.596 -5.190 -1.557
14 H GLY 4 H GLY 4 19.234 -7.015 2.034
15 HA2 GLY 4 1HA GLY 4 17.426 -6.213 3.845
16 HA3 GLY 4 2HA GLY 4 16.427 -6.380 2.408
17 H SER 5 H SER 5 15.205 -8.104 3.016
18 HA SER 5 HA SER 5 16.456 -10.690 2.890
19 HB2 SER 5 1HB SER 5 16.795 -10.172 5.264
20 HB3 SER 5 2HB SER 5 15.071 -9.845 5.448
21 HG SER 5 HG SER 5 15.676 -11.976 6.107
22 H SER 6 H SER 6 15.072 -12.228 2.165
23 HA SER 6 HA SER 6 12.692 -11.513 0.934
24 HB2 SER 6 1HB SER 6 12.245 -13.976 0.806
25 HB3 SER 6 2HB SER 6 13.861 -13.518 0.269
26 HG SER 6 HG SER 6 13.465 -14.231 2.951
27 H GLY 7 H GLY 7 10.507 -12.503 1.397
28 HA2 GLY 7 1HA GLY 7 9.957 -12.463 4.300
29 HA3 GLY 7 2HA GLY 7 8.951 -11.586 3.157
30 H THR 8 H THR 8 7.699 -13.299 4.782
31 HA THR 8 HA THR 8 7.087 -15.590 3.031
32 HB THR 8 HB THR 8 6.987 -15.550 6.054
33 HG1 THR 8 HG1 THR 8 8.984 -16.202 5.863
34 HG21 THR 8 3HG2 THR 8 5.387 -17.016 4.406
35 HG22 THR 8 1HG2 THR 8 5.877 -17.510 6.025
36 HG23 THR 8 2HG2 THR 8 6.760 -18.102 4.618
37 H GLY 9 H GLY 9 5.152 -15.326 2.138
38 HA2 GLY 9 1HA GLY 9 2.868 -15.029 1.992
39 HA3 GLY 9 2HA GLY 9 2.828 -14.856 3.741
40 H GLU 10 H GLU 10 3.377 -13.161 0.706
41 HA GLU 10 HA GLU 10 3.420 -10.577 2.013
42 HB2 GLU 10 1HB GLU 10 3.604 -9.689 -0.296
43 HB3 GLU 10 2HB GLU 10 4.846 -10.872 0.088
44 HG2 GLU 10 1HG GLU 10 3.979 -12.452 -1.328
45 HG3 GLU 10 2HG GLU 10 2.350 -11.783 -1.252
46 H LYS 11 H LYS 11 1.844 -8.995 1.862
47 HA LYS 11 HA LYS 11 -0.849 -9.952 1.655
48 HB2 LYS 11 1HB LYS 11 -0.040 -7.061 1.877
49 HB3 LYS 11 2HB LYS 11 -1.512 -7.830 2.457
50 HG2 LYS 11 1HG LYS 11 1.228 -8.407 3.557
51 HG3 LYS 11 2HG LYS 11 0.115 -7.218 4.238
52 HD2 LYS 11 1HD LYS 11 -1.445 -8.873 4.846
53 HD3 LYS 11 2HD LYS 11 -0.674 -10.089 3.826
54 HE2 LYS 11 1HE LYS 11 -0.001 -10.666 5.982
55 HE3 LYS 11 2HE LYS 11 1.374 -9.769 5.340
56 HZ1 LYS 11 3HZ LYS 11 -0.305 -9.161 7.570
57 HZ2 LYS 11 1HZ LYS 11 -0.198 -7.860 6.493
58 HZ3 LYS 11 2HZ LYS 11 1.208 -8.525 7.157
59 HA PRO 12 HA PRO 12 -1.772 -8.972 -2.524
60 HB2 PRO 12 1HB PRO 12 -4.391 -8.283 -2.324
61 HB3 PRO 12 2HB PRO 12 -3.821 -9.950 -2.171
62 HG2 PRO 12 1HG PRO 12 -4.535 -7.987 -0.026
63 HG3 PRO 12 2HG PRO 12 -4.930 -9.712 -0.141
64 HD2 PRO 12 1HD PRO 12 -2.914 -8.779 1.407
65 HD3 PRO 12 2HD PRO 12 -2.853 -10.367 0.615
66 H HIS 13 H HIS 13 -1.370 -6.666 -0.241
67 HA HIS 13 HA HIS 13 -1.533 -4.530 -2.207
68 HB2 HIS 13 1HB HIS 13 -2.963 -4.384 0.455
69 HB3 HIS 13 2HB HIS 13 -2.740 -3.027 -0.646
70 HD2 HIS 13 HD2 HIS 13 -5.273 -5.737 0.052
71 HE1 HIS 13 HE1 HIS 13 -6.085 -4.357 -3.877
72 HE2 HIS 13 HE2 HIS 13 -6.962 -5.656 -1.905
73 H GLU 14 H GLU 14 0.561 -3.974 -2.192
74 HA GLU 14 HA GLU 14 1.881 -3.576 0.407
75 HB2 GLU 14 1HB GLU 14 2.781 -5.136 -1.538
76 HB3 GLU 14 2HB GLU 14 3.414 -3.615 -2.151
77 HG2 GLU 14 1HG GLU 14 4.776 -3.295 -0.269
78 HG3 GLU 14 2HG GLU 14 3.922 -4.526 0.659
79 H CYS 15 H CYS 15 2.936 -1.665 0.872
80 HA CYS 15 HA CYS 15 2.041 0.636 -0.673
81 HB2 CYS 15 1HB CYS 15 1.934 0.425 1.896
82 HB3 CYS 15 2HB CYS 15 3.664 0.748 1.860
83 H ARG 16 H ARG 16 3.302 0.849 -2.455
84 HA ARG 16 HA ARG 16 6.065 0.348 -2.581
85 HB2 ARG 16 1HB ARG 16 4.309 0.658 -4.480
86 HB3 ARG 16 2HB ARG 16 4.720 2.363 -4.351
87 HG2 ARG 16 1HG ARG 16 6.066 1.516 -6.073
88 HG3 ARG 16 2HG ARG 16 7.132 1.663 -4.674
89 HD2 ARG 16 1HD ARG 16 7.694 -0.438 -5.367
90 HD3 ARG 16 2HD ARG 16 6.369 -0.830 -4.272
91 HE ARG 16 HE ARG 16 5.186 -1.600 -6.064
92 HH11 ARG 16 1HH1 ARG 16 7.716 0.496 -7.215
93 HH12 ARG 16 2HH1 ARG 16 7.406 0.168 -8.887
94 HH21 ARG 16 1HH2 ARG 16 4.768 -2.041 -8.262
95 HH22 ARG 16 2HH2 ARG 16 5.728 -1.274 -9.482
96 H GLU 17 H GLU 17 4.420 2.796 -1.009
97 HA GLU 17 HA GLU 17 6.263 4.944 -1.430
98 HB2 GLU 17 1HB GLU 17 4.178 4.514 0.716
99 HB3 GLU 17 2HB GLU 17 5.079 6.005 0.482
100 HG2 GLU 17 1HG GLU 17 3.434 4.814 -1.719
101 HG3 GLU 17 2HG GLU 17 2.718 5.850 -0.485
102 H CYS 18 H CYS 18 5.641 2.749 1.307
103 HA CYS 18 HA CYS 18 8.367 3.333 2.267
104 HB2 CYS 18 1HB CYS 18 7.518 2.733 4.536
105 HB3 CYS 18 2HB CYS 18 6.757 4.169 3.857
106 H GLY 19 H GLY 19 5.866 0.841 1.958
107 HA2 GLY 19 1HA GLY 19 6.865 -1.268 0.946
108 HA3 GLY 19 2HA GLY 19 7.963 -1.204 2.316
109 H LYS 20 H LYS 20 5.110 -0.057 3.438
110 HA LYS 20 HA LYS 20 4.588 -2.231 5.107
111 HB2 LYS 20 1HB LYS 20 3.019 0.190 4.300
112 HB3 LYS 20 2HB LYS 20 2.253 -1.055 5.276
113 HG2 LYS 20 1HG LYS 20 4.300 -0.787 6.821
114 HG3 LYS 20 2HG LYS 20 4.542 0.739 5.968
115 HD2 LYS 20 1HD LYS 20 3.212 1.476 7.669
116 HD3 LYS 20 2HD LYS 20 1.961 1.019 6.512
117 HE2 LYS 20 1HE LYS 20 2.987 -0.962 8.508
118 HE3 LYS 20 2HE LYS 20 1.770 0.226 8.973
119 HZ1 LYS 20 3HZ LYS 20 0.295 -1.210 8.174
120 HZ2 LYS 20 1HZ LYS 20 1.479 -2.155 7.421
121 HZ3 LYS 20 2HZ LYS 20 0.841 -0.806 6.625
122 H SER 21 H SER 21 2.317 -3.281 5.190
123 HA SER 21 HA SER 21 1.298 -3.976 2.548
124 HB2 SER 21 1HB SER 21 1.545 -6.351 2.857
125 HB3 SER 21 2HB SER 21 3.126 -5.610 3.102
126 HG SER 21 HG SER 21 3.119 -6.398 5.038
127 H PHE 22 H PHE 22 -0.843 -4.465 2.533
128 HA PHE 22 HA PHE 22 -2.192 -4.799 5.123
129 HB2 PHE 22 1HB PHE 22 -3.240 -3.063 2.881
130 HB3 PHE 22 2HB PHE 22 -3.944 -3.269 4.482
131 HD1 PHE 22 HD2 PHE 22 -0.972 -1.961 2.698
132 HD2 PHE 22 HD1 PHE 22 -3.307 -1.893 6.257
133 HE1 PHE 22 HE2 PHE 22 0.330 -0.038 3.511
134 HE2 PHE 22 HE1 PHE 22 -2.009 0.031 7.075
135 HZ PHE 22 HZ PHE 22 -0.187 0.960 5.703
136 H SER 23 H SER 23 -3.581 -6.445 5.179
137 HA SER 23 HA SER 23 -3.826 -8.283 3.102
138 HB2 SER 23 1HB SER 23 -5.933 -7.993 5.232
139 HB3 SER 23 2HB SER 23 -5.316 -9.466 4.484
140 HG SER 23 HG SER 23 -4.424 -9.269 6.526
141 H PHE 24 H PHE 24 -5.655 -5.419 3.808
142 HA PHE 24 HA PHE 24 -7.423 -6.021 1.528
143 HB2 PHE 24 1HB PHE 24 -8.000 -4.667 4.146
144 HB3 PHE 24 2HB PHE 24 -8.975 -4.309 2.725
145 HD1 PHE 24 HD2 PHE 24 -7.722 -7.197 4.714
146 HD2 PHE 24 HD1 PHE 24 -10.826 -5.604 2.277
147 HE1 PHE 24 HE2 PHE 24 -9.089 -9.194 5.156
148 HE2 PHE 24 HE1 PHE 24 -12.199 -7.598 2.716
149 HZ PHE 24 HZ PHE 24 -11.330 -9.397 4.156
150 H ASN 25 H ASN 25 -8.112 -4.180 0.259
151 HA ASN 25 HA ASN 25 -5.951 -2.409 -0.307
152 HB2 ASN 25 1HB ASN 25 -7.364 -3.219 -2.108
153 HB3 ASN 25 2HB ASN 25 -8.784 -2.489 -1.365
154 HD21 ASN 25 1HD2 ASN 25 -5.789 -1.875 -3.041
155 HD22 ASN 25 2HD2 ASN 25 -6.164 -0.259 -3.527
156 H SER 26 H SER 26 -9.327 -1.738 0.642
157 HA SER 26 HA SER 26 -9.370 0.898 1.020
158 HB2 SER 26 1HB SER 26 -10.855 0.563 2.985
159 HB3 SER 26 2HB SER 26 -11.260 -0.502 1.640
160 HG SER 26 HG SER 26 -9.874 -1.148 4.023
161 H GLN 27 H GLN 27 -7.648 -1.365 3.089
162 HA GLN 27 HA GLN 27 -6.934 0.494 5.102
163 HB2 GLN 27 1HB GLN 27 -5.486 -2.033 4.297
164 HB3 GLN 27 2HB GLN 27 -5.326 -1.182 5.827
165 HG2 GLN 27 1HG GLN 27 -7.776 -1.620 6.197
166 HG3 GLN 27 2HG GLN 27 -7.709 -2.689 4.797
167 HE21 GLN 27 1HE2 GLN 27 -5.749 -2.082 7.698
168 HE22 GLN 27 2HE2 GLN 27 -5.583 -3.744 8.140
169 H LEU 28 H LEU 28 -4.831 -1.002 2.637
170 HA LEU 28 HA LEU 28 -2.611 0.557 2.931
171 HB2 LEU 28 1HB LEU 28 -2.589 -1.302 1.441
172 HB3 LEU 28 2HB LEU 28 -3.826 -0.572 0.420
173 HG LEU 28 HG LEU 28 -2.243 1.114 -0.330
174 HD11 LEU 28 1HD1 LEU 28 -0.161 -0.318 1.306
175 HD12 LEU 28 2HD1 LEU 28 -0.943 1.183 1.801
176 HD13 LEU 28 3HD1 LEU 28 0.044 1.143 0.340
177 HD21 LEU 28 3HD2 LEU 28 -0.799 -0.307 -1.642
178 HD22 LEU 28 1HD2 LEU 28 -2.392 -1.052 -1.509
179 HD23 LEU 28 2HD2 LEU 28 -1.055 -1.651 -0.528
180 H ILE 29 H ILE 29 -5.640 1.433 1.449
181 HA ILE 29 HA ILE 29 -4.701 3.780 0.131
182 HB ILE 29 HB ILE 29 -7.531 3.272 1.032
183 HG12 ILE 29 1HG1 ILE 29 -6.269 1.404 -0.343
184 HG13 ILE 29 2HG1 ILE 29 -7.921 1.858 -0.748
185 HG21 ILE 29 1HG2 ILE 29 -7.117 5.509 0.215
186 HG22 ILE 29 2HG2 ILE 29 -6.358 4.867 -1.240
187 HG23 ILE 29 3HG2 ILE 29 -8.081 4.616 -0.961
188 HD11 ILE 29 3HD1 ILE 29 -6.252 1.604 -2.653
189 HD12 ILE 29 1HD1 ILE 29 -7.249 3.058 -2.630
190 HD13 ILE 29 2HD1 ILE 29 -5.570 3.132 -2.095
191 H VAL 30 H VAL 30 -6.219 3.143 3.262
192 HA VAL 30 HA VAL 30 -6.442 5.871 4.029
193 HB VAL 30 HB VAL 30 -6.402 3.366 5.716
194 HG11 VAL 30 1HG1 VAL 30 -7.781 5.326 7.096
195 HG12 VAL 30 2HG1 VAL 30 -6.156 4.739 7.456
196 HG13 VAL 30 3HG1 VAL 30 -6.374 6.173 6.452
197 HG21 VAL 30 3HG2 VAL 30 -8.933 4.354 5.803
198 HG22 VAL 30 1HG2 VAL 30 -8.455 4.764 4.156
199 HG23 VAL 30 2HG2 VAL 30 -8.389 3.088 4.702
200 H HIS 31 H HIS 31 -3.869 3.560 4.096
201 HA HIS 31 HA HIS 31 -2.295 4.989 6.049
202 HB2 HIS 31 1HB HIS 31 -1.830 2.711 6.101
203 HB3 HIS 31 2HB HIS 31 -1.875 2.558 4.347
204 HD1 HIS 31 HD1 HIS 31 0.348 3.990 7.065
205 HD2 HIS 31 HD2 HIS 31 0.567 2.639 3.142
206 HE1 HIS 31 HE1 HIS 31 2.797 3.977 6.494
207 H GLN 32 H GLN 32 -2.119 4.415 2.543
208 HA GLN 32 HA GLN 32 0.174 5.825 1.955
209 HB2 GLN 32 1HB GLN 32 -2.353 5.336 0.414
210 HB3 GLN 32 2HB GLN 32 -1.082 6.342 -0.268
211 HG2 GLN 32 1HG GLN 32 0.446 4.314 0.325
212 HG3 GLN 32 2HG GLN 32 -1.076 3.424 0.325
213 HE21 GLN 32 1HE2 GLN 32 -0.269 2.228 -1.461
214 HE22 GLN 32 2HE2 GLN 32 -0.302 2.894 -3.055
215 H ARG 33 H ARG 33 -2.898 7.028 2.959
216 HA ARG 33 HA ARG 33 -2.749 9.647 1.939
217 HB2 ARG 33 1HB ARG 33 -4.049 8.944 4.561
218 HB3 ARG 33 2HB ARG 33 -4.525 10.174 3.398
219 HG2 ARG 33 1HG ARG 33 -4.889 8.127 1.819
220 HG3 ARG 33 2HG ARG 33 -4.978 7.232 3.337
221 HD2 ARG 33 1HD ARG 33 -7.199 7.865 2.724
222 HD3 ARG 33 2HD ARG 33 -6.715 8.849 4.104
223 HE ARG 33 HE ARG 33 -6.242 10.084 1.545
224 HH11 ARG 33 1HH1 ARG 33 -8.520 9.591 4.131
225 HH12 ARG 33 2HH1 ARG 33 -9.433 11.019 3.773
226 HH21 ARG 33 1HH2 ARG 33 -7.436 11.967 1.064
227 HH22 ARG 33 2HH2 ARG 33 -8.817 12.369 2.028
228 H ILE 34 H ILE 34 -0.754 8.129 4.117
229 HA ILE 34 HA ILE 34 -0.210 10.467 5.756
230 HB ILE 34 HB ILE 34 1.196 9.119 7.062
231 HG12 ILE 34 1HG1 ILE 34 1.217 7.108 4.801
232 HG13 ILE 34 2HG1 ILE 34 2.541 8.189 5.224
233 HG21 ILE 34 1HG2 ILE 34 -1.334 7.963 6.177
234 HG22 ILE 34 2HG2 ILE 34 -0.236 6.792 6.907
235 HG23 ILE 34 3HG2 ILE 34 -0.717 8.230 7.807
236 HD11 ILE 34 3HD1 ILE 34 3.138 6.149 6.160
237 HD12 ILE 34 1HD1 ILE 34 2.473 7.059 7.516
238 HD13 ILE 34 2HD1 ILE 34 1.499 5.820 6.723
239 H HIS 35 H HIS 35 1.054 8.857 2.958
240 HA HIS 35 HA HIS 35 3.629 10.139 3.048
241 HB2 HIS 35 1HB HIS 35 2.223 8.566 0.883
242 HB3 HIS 35 2HB HIS 35 3.860 9.197 0.730
243 HD1 HIS 35 HD1 HIS 35 5.510 8.305 2.788
244 HD2 HIS 35 HD2 HIS 35 2.158 6.042 1.837
245 HE1 HIS 35 HE1 HIS 35 5.953 6.017 3.733
246 H THR 36 H THR 36 0.814 10.406 0.874
247 HA THR 36 HA THR 36 1.803 12.763 -0.396
248 HB THR 36 HB THR 36 0.293 11.273 -1.594
249 HG1 THR 36 HG1 THR 36 -0.149 13.109 -2.552
250 HG21 THR 36 3HG2 THR 36 -1.924 12.175 0.232
251 HG22 THR 36 1HG2 THR 36 -1.036 10.674 0.491
252 HG23 THR 36 2HG2 THR 36 -1.964 10.906 -0.991
253 H GLY 37 H GLY 37 -0.643 12.127 2.094
254 HA2 GLY 37 1HA GLY 37 -1.632 14.732 2.355
255 HA3 GLY 37 2HA GLY 37 -1.646 13.514 3.622
256 H GLU 38 H GLU 38 0.799 13.135 4.426
257 HA GLU 38 HA GLU 38 1.722 15.807 5.234
258 HB2 GLU 38 1HB GLU 38 0.928 13.981 6.922
259 HB3 GLU 38 2HB GLU 38 2.512 13.275 6.633
260 HG2 GLU 38 1HG GLU 38 3.339 15.707 7.161
261 HG3 GLU 38 2HG GLU 38 1.787 15.819 7.988
262 H ASN 39 H ASN 39 3.510 16.513 4.295
263 HA ASN 39 HA ASN 39 5.096 15.318 2.480
264 HB2 ASN 39 1HB ASN 39 6.330 17.082 4.591
265 HB3 ASN 39 2HB ASN 39 6.745 16.969 2.883
266 HD21 ASN 39 1HD2 ASN 39 5.807 19.179 4.738
267 HD22 ASN 39 2HD2 ASN 39 4.520 19.932 3.866
268 HA PRO 40 HA PRO 40 7.253 12.011 4.438
269 HB2 PRO 40 1HB PRO 40 9.276 11.731 2.649
270 HB3 PRO 40 2HB PRO 40 7.621 11.205 2.318
271 HG2 PRO 40 1HG PRO 40 9.018 13.711 1.465
272 HG3 PRO 40 2HG PRO 40 7.953 12.649 0.526
273 HD2 PRO 40 1HD PRO 40 7.098 14.977 1.613
274 HD3 PRO 40 2HD PRO 40 6.038 13.565 1.424
275 H SER 41 H SER 41 8.814 11.810 5.947
276 HA SER 41 HA SER 41 10.332 14.096 6.708
277 HB2 SER 41 1HB SER 41 10.200 11.255 7.697
278 HB3 SER 41 2HB SER 41 11.378 12.396 8.346
279 HG SER 41 HG SER 41 9.839 13.378 9.399
280 H GLY 42 H GLY 42 11.354 10.836 5.663
281 HA2 GLY 42 1HA GLY 42 13.835 12.078 4.643
282 HA3 GLY 42 2HA GLY 42 13.807 10.497 5.409
283 HA PRO 43 HA PRO 43 11.563 9.930 1.163
284 HB2 PRO 43 1HB PRO 43 11.607 12.048 -0.535
285 HB3 PRO 43 2HB PRO 43 10.313 11.786 0.641
286 HG2 PRO 43 1HG PRO 43 12.691 13.597 0.812
287 HG3 PRO 43 2HG PRO 43 11.007 13.915 1.268
288 HD2 PRO 43 1HD PRO 43 12.915 13.289 3.084
289 HD3 PRO 43 2HD PRO 43 11.215 12.819 3.285
290 H SER 44 H SER 44 12.346 9.918 -1.218
291 HA SER 44 HA SER 44 15.127 9.249 -1.183
292 HB2 SER 44 1HB SER 44 13.582 7.939 -2.531
293 HB3 SER 44 2HB SER 44 13.141 9.368 -3.466
294 HG SER 44 HG SER 44 15.626 8.011 -3.411
295 H SER 45 H SER 45 16.844 10.354 -1.946
296 HA SER 45 HA SER 45 16.705 12.496 -3.787
297 HB2 SER 45 1HB SER 45 17.300 14.354 -2.277
298 HB3 SER 45 2HB SER 45 15.708 13.698 -1.897
299 HG SER 45 HG SER 45 16.794 12.439 -0.246
300 H GLY 46 H GLY 46 18.576 12.322 -4.815
301 HA2 GLY 46 1HA GLY 46 20.986 12.710 -4.711
302 HA3 GLY 46 2HA GLY 46 21.002 11.779 -3.220
Start of MODEL 8
1 H1 GLY 1 H GLY 1 21.110 0.649 20.680
2 HA2 GLY 1 1HA GLY 1 18.788 0.331 20.936
3 HA3 GLY 1 2HA GLY 1 18.935 0.723 19.229
4 H SER 2 H SER 2 17.069 -0.481 18.741
5 HA SER 2 HA SER 2 17.557 -3.374 18.633
6 HB2 SER 2 1HB SER 2 14.920 -2.108 19.416
7 HB3 SER 2 2HB SER 2 15.223 -3.835 19.224
8 HG SER 2 HG SER 2 16.173 -2.074 21.209
9 H SER 3 H SER 3 16.038 -4.465 17.075
10 HA SER 3 HA SER 3 15.372 -2.673 14.834
11 HB2 SER 3 1HB SER 3 16.119 -4.432 13.277
12 HB3 SER 3 2HB SER 3 17.435 -3.898 14.322
13 HG SER 3 HG SER 3 17.389 -5.776 15.377
14 H GLY 4 H GLY 4 13.267 -2.709 14.436
15 HA2 GLY 4 1HA GLY 4 11.576 -4.794 15.466
16 HA3 GLY 4 2HA GLY 4 11.061 -3.397 14.532
17 H SER 5 H SER 5 10.743 -6.512 14.458
18 HA SER 5 HA SER 5 11.539 -6.977 11.685
19 HB2 SER 5 1HB SER 5 10.845 -9.320 12.123
20 HB3 SER 5 2HB SER 5 12.058 -8.753 13.271
21 HG SER 5 HG SER 5 10.684 -9.242 14.768
22 H SER 6 H SER 6 10.001 -5.484 10.788
23 HA SER 6 HA SER 6 7.195 -6.329 10.965
24 HB2 SER 6 1HB SER 6 8.507 -3.761 10.084
25 HB3 SER 6 2HB SER 6 6.816 -4.111 9.727
26 HG SER 6 HG SER 6 6.500 -3.307 11.645
27 H GLY 7 H GLY 7 6.966 -7.990 9.548
28 HA2 GLY 7 1HA GLY 7 6.398 -7.709 6.945
29 HA3 GLY 7 2HA GLY 7 8.150 -7.844 6.900
30 H THR 8 H THR 8 5.239 -9.493 8.079
31 HA THR 8 HA THR 8 6.677 -12.050 7.800
32 HB THR 8 HB THR 8 4.931 -12.994 9.319
33 HG1 THR 8 HG1 THR 8 3.904 -10.494 8.982
34 HG21 THR 8 3HG2 THR 8 5.838 -12.004 11.375
35 HG22 THR 8 1HG2 THR 8 6.526 -10.682 10.433
36 HG23 THR 8 2HG2 THR 8 7.111 -12.329 10.199
37 H GLY 9 H GLY 9 6.248 -12.735 5.770
38 HA2 GLY 9 1HA GLY 9 4.868 -13.990 4.330
39 HA3 GLY 9 2HA GLY 9 3.457 -13.335 5.148
40 H GLU 10 H GLU 10 2.474 -12.828 3.161
41 HA GLU 10 HA GLU 10 3.432 -10.314 2.021
42 HB2 GLU 10 1HB GLU 10 3.279 -11.047 -0.242
43 HB3 GLU 10 2HB GLU 10 4.284 -12.212 0.609
44 HG2 GLU 10 1HG GLU 10 1.969 -13.451 0.906
45 HG3 GLU 10 2HG GLU 10 1.569 -12.525 -0.540
46 H LYS 11 H LYS 11 1.803 -9.092 0.950
47 HA LYS 11 HA LYS 11 -0.949 -10.018 1.439
48 HB2 LYS 11 1HB LYS 11 -0.015 -7.169 1.801
49 HB3 LYS 11 2HB LYS 11 -1.598 -7.829 2.191
50 HG2 LYS 11 1HG LYS 11 0.891 -8.830 3.528
51 HG3 LYS 11 2HG LYS 11 0.028 -7.405 4.111
52 HD2 LYS 11 1HD LYS 11 -2.016 -8.757 4.329
53 HD3 LYS 11 2HD LYS 11 -1.120 -10.179 3.790
54 HE2 LYS 11 1HE LYS 11 0.466 -9.661 5.745
55 HE3 LYS 11 2HE LYS 11 -0.827 -8.619 6.337
56 HZ1 LYS 11 3HZ LYS 11 -0.996 -11.540 5.831
57 HZ2 LYS 11 1HZ LYS 11 -2.313 -10.567 6.256
58 HZ3 LYS 11 2HZ LYS 11 -1.027 -10.769 7.336
59 HA PRO 12 HA PRO 12 -1.802 -8.932 -2.730
60 HB2 PRO 12 1HB PRO 12 -4.421 -8.242 -2.551
61 HB3 PRO 12 2HB PRO 12 -3.858 -9.913 -2.432
62 HG2 PRO 12 1HG PRO 12 -4.599 -8.004 -0.249
63 HG3 PRO 12 2HG PRO 12 -4.997 -9.724 -0.414
64 HD2 PRO 12 1HD PRO 12 -3.002 -8.837 1.188
65 HD3 PRO 12 2HD PRO 12 -2.933 -10.404 0.357
66 H HIS 13 H HIS 13 -1.435 -6.687 -0.380
67 HA HIS 13 HA HIS 13 -1.565 -4.500 -2.294
68 HB2 HIS 13 1HB HIS 13 -3.026 -4.423 0.355
69 HB3 HIS 13 2HB HIS 13 -2.783 -3.035 -0.703
70 HD2 HIS 13 HD2 HIS 13 -5.335 -5.753 -0.117
71 HE1 HIS 13 HE1 HIS 13 -6.093 -4.253 -4.012
72 HE2 HIS 13 HE2 HIS 13 -7.000 -5.606 -2.091
73 H GLU 14 H GLU 14 0.530 -3.950 -2.242
74 HA GLU 14 HA GLU 14 1.797 -3.566 0.389
75 HB2 GLU 14 1HB GLU 14 2.723 -5.215 -1.446
76 HB3 GLU 14 2HB GLU 14 3.382 -3.740 -2.140
77 HG2 GLU 14 1HG GLU 14 4.703 -3.315 -0.234
78 HG3 GLU 14 2HG GLU 14 3.851 -4.529 0.718
79 H CYS 15 H CYS 15 2.898 -1.673 0.831
80 HA CYS 15 HA CYS 15 2.084 0.617 -0.761
81 HB2 CYS 15 1HB CYS 15 2.011 0.463 1.811
82 HB3 CYS 15 2HB CYS 15 3.751 0.724 1.743
83 H ARG 16 H ARG 16 3.322 1.494 -2.271
84 HA ARG 16 HA ARG 16 6.061 0.646 -2.596
85 HB2 ARG 16 1HB ARG 16 4.926 0.832 -4.633
86 HB3 ARG 16 2HB ARG 16 4.176 2.358 -4.184
87 HG2 ARG 16 1HG ARG 16 6.091 3.582 -4.637
88 HG3 ARG 16 2HG ARG 16 7.140 2.167 -4.523
89 HD2 ARG 16 1HD ARG 16 7.073 2.383 -6.788
90 HD3 ARG 16 2HD ARG 16 5.651 1.365 -6.563
91 HE ARG 16 HE ARG 16 5.142 4.211 -6.522
92 HH11 ARG 16 1HH1 ARG 16 5.321 1.314 -8.445
93 HH12 ARG 16 2HH1 ARG 16 4.304 1.931 -9.705
94 HH21 ARG 16 1HH2 ARG 16 3.802 5.034 -8.174
95 HH22 ARG 16 2HH2 ARG 16 3.441 4.048 -9.550
96 H GLU 17 H GLU 17 4.460 3.177 -1.010
97 HA GLU 17 HA GLU 17 6.411 5.225 -1.305
98 HB2 GLU 17 1HB GLU 17 4.362 4.825 0.882
99 HB3 GLU 17 2HB GLU 17 5.262 6.305 0.579
100 HG2 GLU 17 1HG GLU 17 3.543 5.091 -1.546
101 HG3 GLU 17 2HG GLU 17 2.852 6.114 -0.288
102 H CYS 18 H CYS 18 5.760 2.837 1.244
103 HA CYS 18 HA CYS 18 8.481 3.325 2.267
104 HB2 CYS 18 1HB CYS 18 7.605 2.614 4.501
105 HB3 CYS 18 2HB CYS 18 6.913 4.121 3.909
106 H GLY 19 H GLY 19 5.916 0.936 1.779
107 HA2 GLY 19 1HA GLY 19 6.812 -1.148 0.674
108 HA3 GLY 19 2HA GLY 19 7.961 -1.184 2.004
109 H LYS 20 H LYS 20 5.203 -0.026 3.313
110 HA LYS 20 HA LYS 20 4.677 -2.218 4.919
111 HB2 LYS 20 1HB LYS 20 3.189 0.254 4.198
112 HB3 LYS 20 2HB LYS 20 2.283 -1.028 4.992
113 HG2 LYS 20 1HG LYS 20 4.210 -0.999 6.715
114 HG3 LYS 20 2HG LYS 20 4.573 0.587 6.030
115 HD2 LYS 20 1HD LYS 20 2.628 1.521 6.813
116 HD3 LYS 20 2HD LYS 20 1.762 -0.017 6.810
117 HE2 LYS 20 1HE LYS 20 2.073 0.464 9.076
118 HE3 LYS 20 2HE LYS 20 3.345 -0.698 8.702
119 HZ1 LYS 20 3HZ LYS 20 3.635 1.837 9.791
120 HZ2 LYS 20 1HZ LYS 20 4.280 1.920 8.229
121 HZ3 LYS 20 2HZ LYS 20 4.862 0.769 9.324
122 H SER 21 H SER 21 2.243 -3.106 4.981
123 HA SER 21 HA SER 21 1.247 -3.837 2.365
124 HB2 SER 21 1HB SER 21 2.130 -6.053 4.218
125 HB3 SER 21 2HB SER 21 1.561 -6.196 2.555
126 HG SER 21 HG SER 21 4.029 -6.012 3.318
127 H PHE 22 H PHE 22 -0.863 -4.582 2.399
128 HA PHE 22 HA PHE 22 -2.143 -4.942 5.007
129 HB2 PHE 22 1HB PHE 22 -3.305 -3.131 2.886
130 HB3 PHE 22 2HB PHE 22 -3.917 -3.397 4.515
131 HD1 PHE 22 HD2 PHE 22 -0.965 -2.088 2.676
132 HD2 PHE 22 HD1 PHE 22 -3.293 -1.981 6.238
133 HE1 PHE 22 HE2 PHE 22 0.360 -0.177 3.480
134 HE2 PHE 22 HE1 PHE 22 -1.972 -0.069 7.048
135 HZ PHE 22 HZ PHE 22 -0.142 0.834 5.669
136 H SER 23 H SER 23 -3.735 -6.443 5.029
137 HA SER 23 HA SER 23 -3.975 -8.199 2.809
138 HB2 SER 23 1HB SER 23 -4.233 -8.701 5.347
139 HB3 SER 23 2HB SER 23 -5.903 -8.184 5.117
140 HG SER 23 HG SER 23 -6.032 -9.787 3.439
141 H PHE 24 H PHE 24 -5.656 -5.371 3.772
142 HA PHE 24 HA PHE 24 -7.693 -5.882 1.706
143 HB2 PHE 24 1HB PHE 24 -7.975 -4.640 4.426
144 HB3 PHE 24 2HB PHE 24 -9.093 -4.219 3.133
145 HD1 PHE 24 HD2 PHE 24 -7.632 -7.229 4.780
146 HD2 PHE 24 HD1 PHE 24 -11.017 -5.453 2.908
147 HE1 PHE 24 HE2 PHE 24 -8.960 -9.238 5.282
148 HE2 PHE 24 HE1 PHE 24 -12.350 -7.459 3.407
149 HZ PHE 24 HZ PHE 24 -11.322 -9.356 4.595
150 H ASN 25 H ASN 25 -7.842 -4.413 0.128
151 HA ASN 25 HA ASN 25 -5.936 -2.488 -0.350
152 HB2 ASN 25 1HB ASN 25 -7.423 -3.309 -2.097
153 HB3 ASN 25 2HB ASN 25 -8.803 -2.542 -1.317
154 HD21 ASN 25 1HD2 ASN 25 -5.566 -1.702 -2.504
155 HD22 ASN 25 2HD2 ASN 25 -6.034 -0.202 -3.223
156 H SER 26 H SER 26 -9.279 -1.814 0.707
157 HA SER 26 HA SER 26 -9.314 0.820 1.084
158 HB2 SER 26 1HB SER 26 -10.742 0.498 3.079
159 HB3 SER 26 2HB SER 26 -11.167 -0.615 1.779
160 HG SER 26 HG SER 26 -11.007 -1.596 3.892
161 H GLN 27 H GLN 27 -7.638 -1.438 3.230
162 HA GLN 27 HA GLN 27 -6.820 0.426 5.163
163 HB2 GLN 27 1HB GLN 27 -5.424 -2.115 4.304
164 HB3 GLN 27 2HB GLN 27 -5.146 -1.245 5.807
165 HG2 GLN 27 1HG GLN 27 -7.538 -1.650 6.392
166 HG3 GLN 27 2HG GLN 27 -7.647 -2.685 4.969
167 HE21 GLN 27 1HE2 GLN 27 -5.573 -2.212 7.810
168 HE22 GLN 27 2HE2 GLN 27 -5.358 -3.893 8.146
169 H LEU 28 H LEU 28 -4.821 -1.035 2.591
170 HA LEU 28 HA LEU 28 -2.582 0.515 2.829
171 HB2 LEU 28 1HB LEU 28 -2.625 -1.328 1.315
172 HB3 LEU 28 2HB LEU 28 -3.892 -0.575 0.348
173 HG LEU 28 HG LEU 28 -2.340 1.088 -0.465
174 HD11 LEU 28 1HD1 LEU 28 -0.999 1.264 1.608
175 HD12 LEU 28 2HD1 LEU 28 -0.016 1.122 0.151
176 HD13 LEU 28 3HD1 LEU 28 -0.234 -0.274 1.206
177 HD21 LEU 28 3HD2 LEU 28 -2.426 -0.954 -1.725
178 HD22 LEU 28 1HD2 LEU 28 -1.276 -1.727 -0.633
179 HD23 LEU 28 2HD2 LEU 28 -0.753 -0.397 -1.667
180 H ILE 29 H ILE 29 -5.652 1.391 1.408
181 HA ILE 29 HA ILE 29 -4.758 3.764 0.117
182 HB ILE 29 HB ILE 29 -7.562 3.222 1.083
183 HG12 ILE 29 1HG1 ILE 29 -6.325 1.398 -0.367
184 HG13 ILE 29 2HG1 ILE 29 -7.988 1.852 -0.723
185 HG21 ILE 29 1HG2 ILE 29 -6.462 4.881 -1.182
186 HG22 ILE 29 2HG2 ILE 29 -8.174 4.609 -0.861
187 HG23 ILE 29 3HG2 ILE 29 -7.187 5.482 0.309
188 HD11 ILE 29 3HD1 ILE 29 -5.511 2.799 -2.139
189 HD12 ILE 29 1HD1 ILE 29 -6.753 1.716 -2.766
190 HD13 ILE 29 2HD1 ILE 29 -7.137 3.408 -2.448
191 H VAL 30 H VAL 30 -6.216 3.087 3.271
192 HA VAL 30 HA VAL 30 -6.406 5.807 4.078
193 HB VAL 30 HB VAL 30 -6.343 3.291 5.749
194 HG11 VAL 30 1HG1 VAL 30 -7.205 4.605 7.563
195 HG12 VAL 30 2HG1 VAL 30 -5.712 5.353 6.991
196 HG13 VAL 30 3HG1 VAL 30 -7.273 6.045 6.547
197 HG21 VAL 30 3HG2 VAL 30 -8.471 4.763 4.300
198 HG22 VAL 30 1HG2 VAL 30 -8.293 3.035 4.607
199 HG23 VAL 30 2HG2 VAL 30 -8.874 4.102 5.885
200 H HIS 31 H HIS 31 -3.856 3.464 4.091
201 HA HIS 31 HA HIS 31 -2.239 4.842 6.038
202 HB2 HIS 31 1HB HIS 31 -1.798 2.554 6.008
203 HB3 HIS 31 2HB HIS 31 -1.842 2.467 4.249
204 HD1 HIS 31 HD1 HIS 31 0.378 3.857 6.998
205 HD2 HIS 31 HD2 HIS 31 0.606 2.518 3.072
206 HE1 HIS 31 HE1 HIS 31 2.829 3.842 6.434
207 H GLN 32 H GLN 32 -2.104 4.353 2.515
208 HA GLN 32 HA GLN 32 0.178 5.784 1.937
209 HB2 GLN 32 1HB GLN 32 -2.370 5.362 0.402
210 HB3 GLN 32 2HB GLN 32 -1.065 6.333 -0.267
211 HG2 GLN 32 1HG GLN 32 0.394 4.250 0.298
212 HG3 GLN 32 2HG GLN 32 -1.155 3.409 0.294
213 HE21 GLN 32 1HE2 GLN 32 -0.330 2.213 -1.505
214 HE22 GLN 32 2HE2 GLN 32 -0.371 2.893 -3.092
215 H ARG 33 H ARG 33 -2.896 6.955 2.986
216 HA ARG 33 HA ARG 33 -2.766 9.595 2.029
217 HB2 ARG 33 1HB ARG 33 -4.029 8.806 4.647
218 HB3 ARG 33 2HB ARG 33 -4.512 10.090 3.547
219 HG2 ARG 33 1HG ARG 33 -4.892 8.094 1.888
220 HG3 ARG 33 2HG ARG 33 -5.007 7.163 3.383
221 HD2 ARG 33 1HD ARG 33 -7.199 7.767 3.096
222 HD3 ARG 33 2HD ARG 33 -6.625 9.103 4.092
223 HE ARG 33 HE ARG 33 -6.453 9.543 1.241
224 HH11 ARG 33 1HH1 ARG 33 -8.371 9.888 4.126
225 HH12 ARG 33 2HH1 ARG 33 -9.337 11.177 3.486
226 HH21 ARG 33 1HH2 ARG 33 -7.718 11.238 0.388
227 HH22 ARG 33 2HH2 ARG 33 -8.965 11.943 1.360
228 H ILE 34 H ILE 34 -0.743 8.036 4.158
229 HA ILE 34 HA ILE 34 -0.185 10.336 5.842
230 HB ILE 34 HB ILE 34 1.258 8.966 7.085
231 HG12 ILE 34 1HG1 ILE 34 1.247 7.004 4.780
232 HG13 ILE 34 2HG1 ILE 34 2.566 8.098 5.183
233 HG21 ILE 34 1HG2 ILE 34 -1.253 7.740 6.170
234 HG22 ILE 34 2HG2 ILE 34 -0.129 6.648 6.977
235 HG23 ILE 34 3HG2 ILE 34 -0.692 8.101 7.802
236 HD11 ILE 34 3HD1 ILE 34 3.215 6.047 6.063
237 HD12 ILE 34 1HD1 ILE 34 2.590 6.933 7.454
238 HD13 ILE 34 2HD1 ILE 34 1.601 5.695 6.680
239 H HIS 35 H HIS 35 1.162 8.690 3.066
240 HA HIS 35 HA HIS 35 3.671 10.079 3.130
241 HB2 HIS 35 1HB HIS 35 2.332 8.474 0.944
242 HB3 HIS 35 2HB HIS 35 3.974 9.104 0.855
243 HD1 HIS 35 HD1 HIS 35 5.587 8.181 2.889
244 HD2 HIS 35 HD2 HIS 35 2.183 5.979 1.980
245 HE1 HIS 35 HE1 HIS 35 5.980 5.900 3.872
246 H THR 36 H THR 36 0.982 10.170 0.783
247 HA THR 36 HA THR 36 1.769 12.370 -0.667
248 HB THR 36 HB THR 36 -0.127 11.027 -1.359
249 HG1 THR 36 HG1 THR 36 -0.857 12.745 -2.344
250 HG21 THR 36 3HG2 THR 36 -2.316 11.256 -0.241
251 HG22 THR 36 1HG2 THR 36 -1.552 12.222 1.021
252 HG23 THR 36 2HG2 THR 36 -1.101 10.530 0.811
253 H GLY 37 H GLY 37 -0.065 12.299 2.364
254 HA2 GLY 37 1HA GLY 37 -0.320 13.926 3.974
255 HA3 GLY 37 2HA GLY 37 0.874 14.886 3.114
256 H GLU 38 H GLU 38 -2.330 13.675 2.146
257 HA GLU 38 HA GLU 38 -3.178 15.684 0.575
258 HB2 GLU 38 1HB GLU 38 -4.436 13.576 1.405
259 HB3 GLU 38 2HB GLU 38 -5.058 14.630 2.667
260 HG2 GLU 38 1HG GLU 38 -5.294 15.394 -0.213
261 HG3 GLU 38 2HG GLU 38 -6.444 14.282 0.528
262 H ASN 39 H ASN 39 -2.750 17.784 0.922
263 HA ASN 39 HA ASN 39 -2.621 19.107 3.355
264 HB2 ASN 39 1HB ASN 39 -2.395 21.062 2.138
265 HB3 ASN 39 2HB ASN 39 -1.976 19.861 0.921
266 HD21 ASN 39 1HD2 ASN 39 -3.871 22.501 1.616
267 HD22 ASN 39 2HD2 ASN 39 -5.010 22.363 0.323
268 HA PRO 40 HA PRO 40 -6.826 19.399 4.661
269 HB2 PRO 40 1HB PRO 40 -6.525 21.399 6.472
270 HB3 PRO 40 2HB PRO 40 -5.979 19.744 6.769
271 HG2 PRO 40 1HG PRO 40 -4.401 22.130 5.887
272 HG3 PRO 40 2HG PRO 40 -3.982 20.892 7.086
273 HD2 PRO 40 1HD PRO 40 -3.000 20.866 4.563
274 HD3 PRO 40 2HD PRO 40 -3.319 19.379 5.479
275 H SER 41 H SER 41 -8.558 20.432 3.876
276 HA SER 41 HA SER 41 -8.260 22.659 2.130
277 HB2 SER 41 1HB SER 41 -10.545 21.009 3.115
278 HB3 SER 41 2HB SER 41 -10.902 22.570 2.378
279 HG SER 41 HG SER 41 -10.362 20.299 1.157
280 H GLY 42 H GLY 42 -9.657 22.259 5.370
281 HA2 GLY 42 1HA GLY 42 -9.428 25.181 5.710
282 HA3 GLY 42 2HA GLY 42 -10.882 24.331 6.211
283 HA PRO 43 HA PRO 43 -7.374 22.821 9.180
284 HB2 PRO 43 1HB PRO 43 -4.996 24.120 9.013
285 HB3 PRO 43 2HB PRO 43 -5.367 22.671 8.071
286 HG2 PRO 43 1HG PRO 43 -5.462 25.545 7.240
287 HG3 PRO 43 2HG PRO 43 -4.833 24.144 6.353
288 HD2 PRO 43 1HD PRO 43 -7.271 25.211 5.852
289 HD3 PRO 43 2HD PRO 43 -6.930 23.478 5.667
290 H SER 44 H SER 44 -8.810 23.914 10.590
291 HA SER 44 HA SER 44 -7.814 26.519 11.546
292 HB2 SER 44 1HB SER 44 -10.185 26.915 12.326
293 HB3 SER 44 2HB SER 44 -9.975 26.882 10.575
294 HG SER 44 HG SER 44 -11.781 25.620 11.513
295 H SER 45 H SER 45 -9.812 23.776 12.652
296 HA SER 45 HA SER 45 -9.374 24.172 15.388
297 HB2 SER 45 1HB SER 45 -10.092 21.777 15.618
298 HB3 SER 45 2HB SER 45 -11.188 22.765 14.651
299 HG SER 45 HG SER 45 -10.232 20.529 13.910
300 H GLY 46 H GLY 46 -7.828 21.809 13.203
301 HA2 GLY 46 1HA GLY 46 -5.404 21.996 14.851
302 HA3 GLY 46 2HA GLY 46 -6.110 20.412 14.568
Start of MODEL 9
1 H1 GLY 1 H GLY 1 20.211 -29.990 -4.301
2 HA2 GLY 1 1HA GLY 1 19.260 -32.641 -3.440
3 HA3 GLY 1 2HA GLY 1 20.227 -31.662 -2.347
4 H SER 2 H SER 2 19.185 -30.343 -1.004
5 HA SER 2 HA SER 2 16.326 -30.222 -1.062
6 HB2 SER 2 1HB SER 2 16.547 -28.892 0.985
7 HB3 SER 2 2HB SER 2 17.589 -30.313 1.058
8 HG SER 2 HG SER 2 18.903 -28.702 1.663
9 H SER 3 H SER 3 15.013 -28.629 -1.744
10 HA SER 3 HA SER 3 15.905 -25.944 -2.175
11 HB2 SER 3 1HB SER 3 16.829 -27.116 -4.185
12 HB3 SER 3 2HB SER 3 15.180 -27.550 -4.636
13 HG SER 3 HG SER 3 16.428 -25.039 -4.628
14 H GLY 4 H GLY 4 14.140 -24.604 -3.204
15 HA2 GLY 4 1HA GLY 4 11.519 -25.525 -3.527
16 HA3 GLY 4 2HA GLY 4 11.710 -25.056 -1.844
17 H SER 5 H SER 5 9.950 -23.544 -2.571
18 HA SER 5 HA SER 5 10.999 -20.935 -2.831
19 HB2 SER 5 1HB SER 5 10.137 -20.319 -5.026
20 HB3 SER 5 2HB SER 5 11.276 -21.655 -5.191
21 HG SER 5 HG SER 5 9.704 -22.616 -6.191
22 H SER 6 H SER 6 9.205 -19.293 -3.108
23 HA SER 6 HA SER 6 6.684 -20.349 -2.007
24 HB2 SER 6 1HB SER 6 8.045 -17.744 -1.280
25 HB3 SER 6 2HB SER 6 6.493 -18.301 -0.656
26 HG SER 6 HG SER 6 9.047 -19.460 -0.248
27 H GLY 7 H GLY 7 5.062 -20.055 -3.376
28 HA2 GLY 7 1HA GLY 7 5.228 -18.322 -5.626
29 HA3 GLY 7 2HA GLY 7 3.804 -19.210 -5.107
30 H THR 8 H THR 8 3.439 -18.135 -2.569
31 HA THR 8 HA THR 8 3.295 -15.246 -2.855
32 HB THR 8 HB THR 8 0.764 -16.844 -2.431
33 HG1 THR 8 HG1 THR 8 0.343 -15.716 -4.583
34 HG21 THR 8 3HG2 THR 8 0.157 -14.889 -1.482
35 HG22 THR 8 1HG2 THR 8 0.015 -14.335 -3.149
36 HG23 THR 8 2HG2 THR 8 1.481 -13.997 -2.229
37 H GLY 9 H GLY 9 3.196 -14.174 -0.915
38 HA2 GLY 9 1HA GLY 9 2.562 -15.625 1.522
39 HA3 GLY 9 2HA GLY 9 4.238 -15.123 1.359
40 H GLU 10 H GLU 10 3.811 -12.646 0.075
41 HA GLU 10 HA GLU 10 3.262 -11.018 2.343
42 HB2 GLU 10 1HB GLU 10 3.819 -10.398 -0.553
43 HB3 GLU 10 2HB GLU 10 3.485 -9.136 0.625
44 HG2 GLU 10 1HG GLU 10 5.830 -9.292 0.436
45 HG3 GLU 10 2HG GLU 10 5.397 -10.026 1.979
46 H LYS 11 H LYS 11 1.807 -8.986 1.955
47 HA LYS 11 HA LYS 11 -0.874 -9.966 1.703
48 HB2 LYS 11 1HB LYS 11 -0.038 -7.080 1.957
49 HB3 LYS 11 2HB LYS 11 -1.567 -7.806 2.434
50 HG2 LYS 11 1HG LYS 11 1.070 -8.491 3.707
51 HG3 LYS 11 2HG LYS 11 -0.025 -7.248 4.316
52 HD2 LYS 11 1HD LYS 11 -0.733 -9.018 5.572
53 HD3 LYS 11 2HD LYS 11 -1.773 -9.233 4.162
54 HE2 LYS 11 1HE LYS 11 -0.954 -11.358 4.393
55 HE3 LYS 11 2HE LYS 11 0.249 -10.676 3.301
56 HZ1 LYS 11 3HZ LYS 11 0.754 -10.399 6.159
57 HZ2 LYS 11 1HZ LYS 11 1.836 -10.689 4.891
58 HZ3 LYS 11 2HZ LYS 11 0.900 -11.954 5.509
59 HA PRO 12 HA PRO 12 -1.727 -9.011 -2.498
60 HB2 PRO 12 1HB PRO 12 -4.356 -8.350 -2.350
61 HB3 PRO 12 2HB PRO 12 -3.772 -10.009 -2.180
62 HG2 PRO 12 1HG PRO 12 -4.546 -8.047 -0.056
63 HG3 PRO 12 2HG PRO 12 -4.921 -9.776 -0.172
64 HD2 PRO 12 1HD PRO 12 -2.944 -8.817 1.411
65 HD3 PRO 12 2HD PRO 12 -2.852 -10.407 0.626
66 H HIS 13 H HIS 13 -1.394 -6.694 -0.215
67 HA HIS 13 HA HIS 13 -1.532 -4.566 -2.191
68 HB2 HIS 13 1HB HIS 13 -3.034 -4.422 0.431
69 HB3 HIS 13 2HB HIS 13 -2.800 -3.072 -0.675
70 HD2 HIS 13 HD2 HIS 13 -5.311 -5.814 -0.022
71 HE1 HIS 13 HE1 HIS 13 -6.046 -4.465 -3.977
72 HE2 HIS 13 HE2 HIS 13 -6.953 -5.767 -2.021
73 H GLU 14 H GLU 14 0.555 -3.987 -2.121
74 HA GLU 14 HA GLU 14 1.780 -3.527 0.516
75 HB2 GLU 14 1HB GLU 14 2.751 -5.164 -1.331
76 HB3 GLU 14 2HB GLU 14 3.420 -3.669 -1.971
77 HG2 GLU 14 1HG GLU 14 4.739 -3.307 -0.090
78 HG3 GLU 14 2HG GLU 14 3.796 -4.419 0.900
79 H CYS 15 H CYS 15 2.955 -1.629 0.890
80 HA CYS 15 HA CYS 15 2.068 0.634 -0.719
81 HB2 CYS 15 1HB CYS 15 1.907 0.591 1.812
82 HB3 CYS 15 2HB CYS 15 3.662 0.718 1.844
83 H ARG 16 H ARG 16 3.296 1.272 -2.354
84 HA ARG 16 HA ARG 16 6.049 0.540 -2.592
85 HB2 ARG 16 1HB ARG 16 4.186 2.242 -4.229
86 HB3 ARG 16 2HB ARG 16 5.901 2.145 -4.608
87 HG2 ARG 16 1HG ARG 16 4.321 -0.365 -4.302
88 HG3 ARG 16 2HG ARG 16 4.201 0.573 -5.792
89 HD2 ARG 16 1HD ARG 16 6.825 0.529 -5.646
90 HD3 ARG 16 2HD ARG 16 6.529 -0.894 -4.647
91 HE ARG 16 HE ARG 16 5.034 -1.405 -6.816
92 HH11 ARG 16 1HH1 ARG 16 8.339 -0.373 -6.450
93 HH12 ARG 16 2HH1 ARG 16 8.880 -1.153 -7.899
94 HH21 ARG 16 1HH2 ARG 16 5.735 -2.437 -8.726
95 HH22 ARG 16 2HH2 ARG 16 7.398 -2.327 -9.193
96 H GLU 17 H GLU 17 4.465 3.018 -0.971
97 HA GLU 17 HA GLU 17 6.402 5.095 -1.330
98 HB2 GLU 17 1HB GLU 17 4.290 4.738 0.805
99 HB3 GLU 17 2HB GLU 17 5.222 6.204 0.534
100 HG2 GLU 17 1HG GLU 17 3.609 5.039 -1.688
101 HG3 GLU 17 2HG GLU 17 2.823 5.987 -0.428
102 H CYS 18 H CYS 18 5.653 2.852 1.333
103 HA CYS 18 HA CYS 18 8.366 3.339 2.379
104 HB2 CYS 18 1HB CYS 18 7.497 2.787 4.607
105 HB3 CYS 18 2HB CYS 18 6.631 4.152 3.909
106 H GLY 19 H GLY 19 5.814 0.914 1.950
107 HA2 GLY 19 1HA GLY 19 6.685 -1.197 0.903
108 HA3 GLY 19 2HA GLY 19 7.892 -1.174 2.179
109 H LYS 20 H LYS 20 4.822 -0.075 3.146
110 HA LYS 20 HA LYS 20 4.501 -2.184 5.012
111 HB2 LYS 20 1HB LYS 20 2.942 0.217 4.206
112 HB3 LYS 20 2HB LYS 20 2.079 -1.052 5.065
113 HG2 LYS 20 1HG LYS 20 4.051 -0.893 6.747
114 HG3 LYS 20 2HG LYS 20 4.316 0.686 6.005
115 HD2 LYS 20 1HD LYS 20 1.746 0.974 6.417
116 HD3 LYS 20 2HD LYS 20 2.002 -0.293 7.619
117 HE2 LYS 20 1HE LYS 20 3.477 2.335 7.476
118 HE3 LYS 20 2HE LYS 20 2.184 1.939 8.607
119 HZ1 LYS 20 3HZ LYS 20 4.496 1.712 9.494
120 HZ2 LYS 20 1HZ LYS 20 4.714 0.403 8.444
121 HZ3 LYS 20 2HZ LYS 20 3.536 0.329 9.655
122 H SER 21 H SER 21 2.263 -3.303 5.176
123 HA SER 21 HA SER 21 1.256 -4.148 2.567
124 HB2 SER 21 1HB SER 21 1.555 -6.490 2.997
125 HB3 SER 21 2HB SER 21 3.116 -5.710 3.256
126 HG SER 21 HG SER 21 2.207 -7.282 4.907
127 H PHE 22 H PHE 22 -0.887 -4.474 2.563
128 HA PHE 22 HA PHE 22 -2.253 -4.806 5.147
129 HB2 PHE 22 1HB PHE 22 -3.274 -3.068 2.896
130 HB3 PHE 22 2HB PHE 22 -3.969 -3.244 4.504
131 HD1 PHE 22 HD2 PHE 22 -0.938 -2.059 2.719
132 HD2 PHE 22 HD1 PHE 22 -3.342 -1.811 6.223
133 HE1 PHE 22 HE2 PHE 22 0.405 -0.152 3.502
134 HE2 PHE 22 HE1 PHE 22 -2.003 0.097 7.011
135 HZ PHE 22 HZ PHE 22 -0.126 0.928 5.650
136 H SER 23 H SER 23 -3.554 -6.510 5.195
137 HA SER 23 HA SER 23 -3.864 -8.295 3.089
138 HB2 SER 23 1HB SER 23 -5.181 -7.915 5.732
139 HB3 SER 23 2HB SER 23 -5.985 -8.973 4.573
140 HG SER 23 HG SER 23 -4.573 -10.213 5.763
141 H PHE 24 H PHE 24 -5.592 -5.402 3.807
142 HA PHE 24 HA PHE 24 -7.465 -5.995 1.611
143 HB2 PHE 24 1HB PHE 24 -7.946 -4.664 4.257
144 HB3 PHE 24 2HB PHE 24 -8.952 -4.258 2.870
145 HD1 PHE 24 HD2 PHE 24 -7.573 -7.397 4.356
146 HD2 PHE 24 HD1 PHE 24 -10.975 -5.319 2.865
147 HE1 PHE 24 HE2 PHE 24 -8.969 -9.373 4.798
148 HE2 PHE 24 HE1 PHE 24 -12.377 -7.292 3.306
149 HZ PHE 24 HZ PHE 24 -11.375 -9.323 4.272
150 H ASN 25 H ASN 25 -7.983 -4.296 0.205
151 HA ASN 25 HA ASN 25 -5.881 -2.482 -0.326
152 HB2 ASN 25 1HB ASN 25 -7.333 -3.365 -2.096
153 HB3 ASN 25 2HB ASN 25 -8.710 -2.515 -1.401
154 HD21 ASN 25 1HD2 ASN 25 -5.376 -1.781 -2.383
155 HD22 ASN 25 2HD2 ASN 25 -5.766 -0.320 -3.219
156 H SER 26 H SER 26 -9.269 -1.788 0.558
157 HA SER 26 HA SER 26 -9.303 0.853 0.903
158 HB2 SER 26 1HB SER 26 -10.318 -0.956 3.101
159 HB3 SER 26 2HB SER 26 -10.958 0.614 2.616
160 HG SER 26 HG SER 26 -11.740 -0.280 0.757
161 H GLN 27 H GLN 27 -7.697 -1.399 3.090
162 HA GLN 27 HA GLN 27 -7.002 0.467 5.085
163 HB2 GLN 27 1HB GLN 27 -5.556 -2.070 4.301
164 HB3 GLN 27 2HB GLN 27 -5.371 -1.202 5.820
165 HG2 GLN 27 1HG GLN 27 -7.868 -1.597 6.150
166 HG3 GLN 27 2HG GLN 27 -7.730 -2.764 4.835
167 HE21 GLN 27 1HE2 GLN 27 -5.811 -1.911 7.701
168 HE22 GLN 27 2HE2 GLN 27 -5.657 -3.528 8.288
169 H LEU 28 H LEU 28 -4.889 -0.987 2.600
170 HA LEU 28 HA LEU 28 -2.659 0.557 2.955
171 HB2 LEU 28 1HB LEU 28 -2.635 -1.282 1.435
172 HB3 LEU 28 2HB LEU 28 -3.849 -0.521 0.409
173 HG LEU 28 HG LEU 28 -2.214 1.199 -0.228
174 HD11 LEU 28 1HD1 LEU 28 0.086 1.053 0.407
175 HD12 LEU 28 2HD1 LEU 28 -0.200 -0.444 1.294
176 HD13 LEU 28 3HD1 LEU 28 -0.889 1.071 1.877
177 HD21 LEU 28 3HD2 LEU 28 -2.471 -1.199 -1.290
178 HD22 LEU 28 1HD2 LEU 28 -0.816 -1.383 -0.709
179 HD23 LEU 28 2HD2 LEU 28 -1.215 -0.085 -1.835
180 H ILE 29 H ILE 29 -5.666 1.453 1.428
181 HA ILE 29 HA ILE 29 -4.717 3.817 0.162
182 HB ILE 29 HB ILE 29 -7.552 3.304 1.048
183 HG12 ILE 29 1HG1 ILE 29 -6.285 1.461 -0.360
184 HG13 ILE 29 2HG1 ILE 29 -7.938 1.920 -0.755
185 HG21 ILE 29 1HG2 ILE 29 -7.119 5.557 0.271
186 HG22 ILE 29 2HG2 ILE 29 -6.376 4.932 -1.201
187 HG23 ILE 29 3HG2 ILE 29 -8.099 4.689 -0.911
188 HD11 ILE 29 3HD1 ILE 29 -7.119 3.390 -2.510
189 HD12 ILE 29 1HD1 ILE 29 -5.458 2.959 -2.105
190 HD13 ILE 29 2HD1 ILE 29 -6.555 1.736 -2.746
191 H VAL 30 H VAL 30 -6.163 3.123 3.304
192 HA VAL 30 HA VAL 30 -6.418 5.846 4.103
193 HB VAL 30 HB VAL 30 -6.363 3.305 5.733
194 HG11 VAL 30 1HG1 VAL 30 -7.366 4.722 7.529
195 HG12 VAL 30 2HG1 VAL 30 -5.676 5.086 7.175
196 HG13 VAL 30 3HG1 VAL 30 -6.954 6.140 6.567
197 HG21 VAL 30 3HG2 VAL 30 -8.391 4.674 4.180
198 HG22 VAL 30 1HG2 VAL 30 -8.417 3.065 4.901
199 HG23 VAL 30 2HG2 VAL 30 -8.876 4.470 5.863
200 H HIS 31 H HIS 31 -3.828 3.555 4.108
201 HA HIS 31 HA HIS 31 -2.243 4.996 6.051
202 HB2 HIS 31 1HB HIS 31 -1.769 2.725 6.139
203 HB3 HIS 31 2HB HIS 31 -1.851 2.535 4.390
204 HD1 HIS 31 HD1 HIS 31 0.435 3.978 7.044
205 HD2 HIS 31 HD2 HIS 31 0.562 2.624 3.118
206 HE1 HIS 31 HE1 HIS 31 2.871 3.956 6.419
207 H GLN 32 H GLN 32 -2.132 4.401 2.549
208 HA GLN 32 HA GLN 32 0.170 5.776 1.912
209 HB2 GLN 32 1HB GLN 32 -2.400 5.368 0.407
210 HB3 GLN 32 2HB GLN 32 -1.070 6.277 -0.298
211 HG2 GLN 32 1HG GLN 32 0.304 4.137 0.385
212 HG3 GLN 32 2HG GLN 32 -1.285 3.378 0.298
213 HE21 GLN 32 1HE2 GLN 32 -0.446 2.134 -1.454
214 HE22 GLN 32 2HE2 GLN 32 -0.359 2.810 -3.041
215 H ARG 33 H ARG 33 -2.881 7.024 2.945
216 HA ARG 33 HA ARG 33 -2.715 9.634 1.917
217 HB2 ARG 33 1HB ARG 33 -3.955 9.069 4.587
218 HB3 ARG 33 2HB ARG 33 -4.499 10.159 3.318
219 HG2 ARG 33 1HG ARG 33 -4.950 8.071 1.937
220 HG3 ARG 33 2HG ARG 33 -4.745 7.173 3.443
221 HD2 ARG 33 1HD ARG 33 -6.663 9.473 3.154
222 HD3 ARG 33 2HD ARG 33 -7.117 7.801 2.826
223 HE ARG 33 HE ARG 33 -7.011 7.341 5.100
224 HH11 ARG 33 1HH1 ARG 33 -5.945 10.587 4.431
225 HH12 ARG 33 2HH1 ARG 33 -6.007 11.088 6.088
226 HH21 ARG 33 1HH2 ARG 33 -7.097 7.989 7.285
227 HH22 ARG 33 2HH2 ARG 33 -6.661 9.609 7.711
228 H ILE 34 H ILE 34 -0.707 8.101 4.083
229 HA ILE 34 HA ILE 34 -0.105 10.426 5.710
230 HB ILE 34 HB ILE 34 1.349 9.068 6.951
231 HG12 ILE 34 1HG1 ILE 34 1.294 7.056 4.691
232 HG13 ILE 34 2HG1 ILE 34 2.615 8.171 5.022
233 HG21 ILE 34 1HG2 ILE 34 -0.562 8.189 7.729
234 HG22 ILE 34 2HG2 ILE 34 -1.193 7.881 6.112
235 HG23 ILE 34 3HG2 ILE 34 -0.064 6.744 6.850
236 HD11 ILE 34 3HD1 ILE 34 1.697 5.832 6.654
237 HD12 ILE 34 1HD1 ILE 34 3.277 6.117 5.926
238 HD13 ILE 34 2HD1 ILE 34 2.755 7.082 7.307
239 H HIS 35 H HIS 35 1.200 8.732 2.942
240 HA HIS 35 HA HIS 35 3.714 10.114 2.950
241 HB2 HIS 35 1HB HIS 35 2.327 8.440 0.851
242 HB3 HIS 35 2HB HIS 35 3.937 9.124 0.646
243 HD1 HIS 35 HD1 HIS 35 5.690 8.328 2.625
244 HD2 HIS 35 HD2 HIS 35 2.340 5.966 1.946
245 HE1 HIS 35 HE1 HIS 35 6.227 6.091 3.642
246 H THR 36 H THR 36 0.607 10.515 1.348
247 HA THR 36 HA THR 36 1.615 12.956 0.051
248 HB THR 36 HB THR 36 0.640 11.340 -1.505
249 HG1 THR 36 HG1 THR 36 0.251 13.753 -1.617
250 HG21 THR 36 3HG2 THR 36 -0.907 10.235 0.046
251 HG22 THR 36 1HG2 THR 36 -1.739 10.780 -1.410
252 HG23 THR 36 2HG2 THR 36 -1.901 11.691 0.092
253 H GLY 37 H GLY 37 1.078 13.077 2.785
254 HA2 GLY 37 1HA GLY 37 -1.583 14.086 3.225
255 HA3 GLY 37 2HA GLY 37 -0.257 14.098 4.378
256 H GLU 38 H GLU 38 -0.352 15.501 1.128
257 HA GLU 38 HA GLU 38 0.995 17.780 1.508
258 HB2 GLU 38 1HB GLU 38 -0.279 16.967 -0.581
259 HB3 GLU 38 2HB GLU 38 -1.626 17.910 0.040
260 HG2 GLU 38 1HG GLU 38 -0.031 19.878 0.102
261 HG3 GLU 38 2HG GLU 38 1.067 18.883 -0.853
262 H ASN 39 H ASN 39 0.941 19.322 2.990
263 HA ASN 39 HA ASN 39 -0.839 19.734 4.977
264 HB2 ASN 39 1HB ASN 39 -0.111 22.207 4.871
265 HB3 ASN 39 2HB ASN 39 1.140 20.989 5.099
266 HD21 ASN 39 1HD2 ASN 39 2.857 21.187 3.869
267 HD22 ASN 39 2HD2 ASN 39 2.930 21.988 2.340
268 HA PRO 40 HA PRO 40 -4.614 21.277 3.345
269 HB2 PRO 40 1HB PRO 40 -5.470 22.792 5.429
270 HB3 PRO 40 2HB PRO 40 -5.478 21.024 5.459
271 HG2 PRO 40 1HG PRO 40 -3.494 22.930 6.639
272 HG3 PRO 40 2HG PRO 40 -4.185 21.456 7.342
273 HD2 PRO 40 1HD PRO 40 -1.716 21.522 6.232
274 HD3 PRO 40 2HD PRO 40 -2.747 20.078 6.182
275 H SER 41 H SER 41 -2.740 23.781 5.065
276 HA SER 41 HA SER 41 -3.204 25.583 2.792
277 HB2 SER 41 1HB SER 41 -3.634 26.208 5.715
278 HB3 SER 41 2HB SER 41 -3.428 27.463 4.493
279 HG SER 41 HG SER 41 -5.513 25.591 4.784
280 H GLY 42 H GLY 42 -0.906 24.015 3.349
281 HA2 GLY 42 1HA GLY 42 1.360 24.172 3.860
282 HA3 GLY 42 2HA GLY 42 1.197 25.568 2.805
283 HA PRO 43 HA PRO 43 0.884 27.247 7.336
284 HB2 PRO 43 1HB PRO 43 1.499 25.494 9.316
285 HB3 PRO 43 2HB PRO 43 -0.146 25.719 8.709
286 HG2 PRO 43 1HG PRO 43 1.843 23.583 8.043
287 HG3 PRO 43 2HG PRO 43 0.105 23.434 8.361
288 HD2 PRO 43 1HD PRO 43 1.132 23.433 5.856
289 HD3 PRO 43 2HD PRO 43 -0.470 24.098 6.231
290 H SER 44 H SER 44 2.605 27.255 9.330
291 HA SER 44 HA SER 44 5.171 27.562 8.007
292 HB2 SER 44 1HB SER 44 5.860 28.709 10.062
293 HB3 SER 44 2HB SER 44 4.328 29.357 9.475
294 HG SER 44 HG SER 44 3.321 27.873 11.008
295 H SER 45 H SER 45 3.801 25.764 10.736
296 HA SER 45 HA SER 45 5.901 24.565 11.895
297 HB2 SER 45 1HB SER 45 3.422 24.093 12.277
298 HB3 SER 45 2HB SER 45 3.551 22.904 10.982
299 HG SER 45 HG SER 45 5.445 22.144 12.358
300 H GLY 46 H GLY 46 4.502 23.543 8.791
301 HA2 GLY 46 1HA GLY 46 7.080 22.581 7.914
302 HA3 GLY 46 2HA GLY 46 5.904 21.304 8.190
Start of MODEL 10
1 H1 GLY 1 H GLY 1 20.409 4.359 9.062
2 HA2 GLY 1 1HA GLY 1 18.210 3.744 8.813
3 HA3 GLY 1 2HA GLY 1 18.859 2.200 8.279
4 H SER 2 H SER 2 16.658 1.693 9.349
5 HA SER 2 HA SER 2 17.222 0.886 12.120
6 HB2 SER 2 1HB SER 2 15.712 2.806 12.219
7 HB3 SER 2 2HB SER 2 14.606 2.018 11.094
8 HG SER 2 HG SER 2 14.235 1.867 13.507
9 H SER 3 H SER 3 15.899 -0.940 12.856
10 HA SER 3 HA SER 3 15.644 -2.903 10.735
11 HB2 SER 3 1HB SER 3 16.771 -3.355 12.971
12 HB3 SER 3 2HB SER 3 15.158 -3.342 13.684
13 HG SER 3 HG SER 3 15.574 -4.949 11.441
14 H GLY 4 H GLY 4 13.752 -4.433 10.812
15 HA2 GLY 4 1HA GLY 4 11.286 -3.659 11.954
16 HA3 GLY 4 2HA GLY 4 11.372 -3.068 10.301
17 H SER 5 H SER 5 9.579 -4.438 9.804
18 HA SER 5 HA SER 5 10.373 -7.253 9.444
19 HB2 SER 5 1HB SER 5 8.622 -6.940 11.217
20 HB3 SER 5 2HB SER 5 7.555 -6.286 9.975
21 HG SER 5 HG SER 5 7.032 -8.316 9.745
22 H SER 6 H SER 6 10.855 -7.371 7.336
23 HA SER 6 HA SER 6 10.155 -5.877 5.225
24 HB2 SER 6 1HB SER 6 10.460 -7.824 3.782
25 HB3 SER 6 2HB SER 6 11.637 -7.856 5.094
26 HG SER 6 HG SER 6 9.178 -9.272 5.110
27 H GLY 7 H GLY 7 8.165 -8.516 6.529
28 HA2 GLY 7 1HA GLY 7 5.701 -7.450 6.294
29 HA3 GLY 7 2HA GLY 7 6.030 -7.972 4.649
30 H THR 8 H THR 8 5.117 -8.931 7.811
31 HA THR 8 HA THR 8 5.601 -11.710 7.614
32 HB THR 8 HB THR 8 3.521 -10.254 9.259
33 HG1 THR 8 HG1 THR 8 6.042 -10.032 9.470
34 HG21 THR 8 3HG2 THR 8 3.714 -12.319 10.704
35 HG22 THR 8 1HG2 THR 8 4.554 -13.084 9.356
36 HG23 THR 8 2HG2 THR 8 2.886 -12.543 9.163
37 H GLY 9 H GLY 9 4.876 -12.585 5.704
38 HA2 GLY 9 1HA GLY 9 3.275 -13.803 4.536
39 HA3 GLY 9 2HA GLY 9 2.032 -13.104 5.564
40 H GLU 10 H GLU 10 3.883 -12.750 2.641
41 HA GLU 10 HA GLU 10 3.471 -10.276 1.715
42 HB2 GLU 10 1HB GLU 10 3.005 -12.872 0.253
43 HB3 GLU 10 2HB GLU 10 2.986 -11.312 -0.558
44 HG2 GLU 10 1HG GLU 10 5.306 -12.484 0.959
45 HG3 GLU 10 2HG GLU 10 5.140 -12.412 -0.794
46 H LYS 11 H LYS 11 1.843 -8.915 1.340
47 HA LYS 11 HA LYS 11 -0.898 -9.959 1.543
48 HB2 LYS 11 1HB LYS 11 -0.002 -7.092 1.855
49 HB3 LYS 11 2HB LYS 11 -1.573 -7.769 2.266
50 HG2 LYS 11 1HG LYS 11 1.007 -8.543 3.609
51 HG3 LYS 11 2HG LYS 11 -0.113 -7.324 4.221
52 HD2 LYS 11 1HD LYS 11 -1.851 -8.968 4.467
53 HD3 LYS 11 2HD LYS 11 -0.859 -10.197 3.679
54 HE2 LYS 11 1HE LYS 11 0.821 -9.750 5.576
55 HE3 LYS 11 2HE LYS 11 -0.526 -8.956 6.391
56 HZ1 LYS 11 3HZ LYS 11 -1.158 -11.563 5.335
57 HZ2 LYS 11 1HZ LYS 11 -1.486 -10.903 6.857
58 HZ3 LYS 11 2HZ LYS 11 0.028 -11.585 6.540
59 HA PRO 12 HA PRO 12 -1.800 -8.946 -2.633
60 HB2 PRO 12 1HB PRO 12 -4.424 -8.276 -2.444
61 HB3 PRO 12 2HB PRO 12 -3.845 -9.940 -2.303
62 HG2 PRO 12 1HG PRO 12 -4.584 -8.002 -0.144
63 HG3 PRO 12 2HG PRO 12 -4.968 -9.728 -0.277
64 HD2 PRO 12 1HD PRO 12 -2.968 -8.798 1.293
65 HD3 PRO 12 2HD PRO 12 -2.892 -10.377 0.486
66 H HIS 13 H HIS 13 -1.433 -6.659 -0.324
67 HA HIS 13 HA HIS 13 -1.587 -4.506 -2.271
68 HB2 HIS 13 1HB HIS 13 -3.052 -4.391 0.374
69 HB3 HIS 13 2HB HIS 13 -2.827 -3.026 -0.717
70 HD2 HIS 13 HD2 HIS 13 -5.342 -5.765 -0.065
71 HE1 HIS 13 HE1 HIS 13 -6.125 -4.363 -3.992
72 HE2 HIS 13 HE2 HIS 13 -7.010 -5.685 -2.040
73 H GLU 14 H GLU 14 0.503 -3.936 -2.223
74 HA GLU 14 HA GLU 14 1.771 -3.523 0.401
75 HB2 GLU 14 1HB GLU 14 2.711 -5.126 -1.484
76 HB3 GLU 14 2HB GLU 14 3.361 -3.622 -2.123
77 HG2 GLU 14 1HG GLU 14 4.706 -3.268 -0.248
78 HG3 GLU 14 2HG GLU 14 3.806 -4.429 0.726
79 H CYS 15 H CYS 15 2.971 -1.637 0.784
80 HA CYS 15 HA CYS 15 2.067 0.656 -0.782
81 HB2 CYS 15 1HB CYS 15 1.894 0.565 1.751
82 HB3 CYS 15 2HB CYS 15 3.648 0.710 1.789
83 H ARG 16 H ARG 16 3.306 1.289 -2.413
84 HA ARG 16 HA ARG 16 6.052 0.565 -2.655
85 HB2 ARG 16 1HB ARG 16 4.499 0.899 -4.583
86 HB3 ARG 16 2HB ARG 16 4.517 2.624 -4.246
87 HG2 ARG 16 1HG ARG 16 7.145 1.323 -4.592
88 HG3 ARG 16 2HG ARG 16 6.128 1.459 -6.028
89 HD2 ARG 16 1HD ARG 16 5.843 3.937 -5.122
90 HD3 ARG 16 2HD ARG 16 7.405 3.580 -4.387
91 HE ARG 16 HE ARG 16 6.838 3.929 -7.201
92 HH11 ARG 16 1HH1 ARG 16 9.065 2.737 -4.805
93 HH12 ARG 16 2HH1 ARG 16 10.436 2.791 -5.863
94 HH21 ARG 16 1HH2 ARG 16 8.635 4.005 -8.604
95 HH22 ARG 16 2HH2 ARG 16 10.190 3.514 -8.023
96 H GLU 17 H GLU 17 4.426 3.122 -1.106
97 HA GLU 17 HA GLU 17 6.395 5.151 -1.352
98 HB2 GLU 17 1HB GLU 17 4.278 4.731 0.765
99 HB3 GLU 17 2HB GLU 17 5.233 6.194 0.574
100 HG2 GLU 17 1HG GLU 17 3.568 5.132 -1.673
101 HG3 GLU 17 2HG GLU 17 2.865 6.133 -0.403
102 H CYS 18 H CYS 18 5.645 2.870 1.280
103 HA CYS 18 HA CYS 18 8.375 3.302 2.304
104 HB2 CYS 18 1HB CYS 18 7.514 2.706 4.530
105 HB3 CYS 18 2HB CYS 18 6.682 4.110 3.872
106 H GLY 19 H GLY 19 5.810 0.929 1.760
107 HA2 GLY 19 1HA GLY 19 6.634 -1.176 0.703
108 HA3 GLY 19 2HA GLY 19 7.860 -1.191 1.961
109 H LYS 20 H LYS 20 4.893 -0.057 3.097
110 HA LYS 20 HA LYS 20 4.556 -2.192 4.899
111 HB2 LYS 20 1HB LYS 20 2.999 0.221 4.135
112 HB3 LYS 20 2HB LYS 20 2.129 -1.056 4.974
113 HG2 LYS 20 1HG LYS 20 4.198 -0.909 6.607
114 HG3 LYS 20 2HG LYS 20 4.294 0.725 5.945
115 HD2 LYS 20 1HD LYS 20 2.921 0.992 7.801
116 HD3 LYS 20 2HD LYS 20 1.766 0.838 6.475
117 HE2 LYS 20 1HE LYS 20 1.202 -1.350 7.066
118 HE3 LYS 20 2HE LYS 20 2.653 -1.558 8.045
119 HZ1 LYS 20 3HZ LYS 20 0.477 -1.213 9.265
120 HZ2 LYS 20 1HZ LYS 20 0.557 0.400 8.763
121 HZ3 LYS 20 2HZ LYS 20 1.775 -0.241 9.745
122 H SER 21 H SER 21 2.312 -3.305 5.083
123 HA SER 21 HA SER 21 1.280 -4.138 2.481
124 HB2 SER 21 1HB SER 21 1.552 -6.495 2.938
125 HB3 SER 21 2HB SER 21 3.125 -5.715 3.100
126 HG SER 21 HG SER 21 1.865 -7.178 4.890
127 H PHE 22 H PHE 22 -0.861 -4.538 2.494
128 HA PHE 22 HA PHE 22 -2.203 -4.863 5.088
129 HB2 PHE 22 1HB PHE 22 -3.239 -3.088 2.872
130 HB3 PHE 22 2HB PHE 22 -3.923 -3.289 4.482
131 HD1 PHE 22 HD2 PHE 22 -0.931 -2.050 2.676
132 HD2 PHE 22 HD1 PHE 22 -3.253 -1.917 6.241
133 HE1 PHE 22 HE2 PHE 22 0.420 -0.159 3.482
134 HE2 PHE 22 HE1 PHE 22 -1.905 -0.025 7.052
135 HZ PHE 22 HZ PHE 22 -0.065 0.856 5.672
136 H SER 23 H SER 23 -3.536 -6.546 5.126
137 HA SER 23 HA SER 23 -3.865 -8.302 2.990
138 HB2 SER 23 1HB SER 23 -4.177 -8.997 5.313
139 HB3 SER 23 2HB SER 23 -5.604 -7.971 5.448
140 HG SER 23 HG SER 23 -6.721 -9.323 4.173
141 H PHE 24 H PHE 24 -5.596 -5.431 3.809
142 HA PHE 24 HA PHE 24 -7.511 -5.985 1.639
143 HB2 PHE 24 1HB PHE 24 -7.912 -4.636 4.293
144 HB3 PHE 24 2HB PHE 24 -8.961 -4.256 2.931
145 HD1 PHE 24 HD2 PHE 24 -7.565 -7.288 4.605
146 HD2 PHE 24 HD1 PHE 24 -10.936 -5.403 2.817
147 HE1 PHE 24 HE2 PHE 24 -8.937 -9.265 5.118
148 HE2 PHE 24 HE1 PHE 24 -12.314 -7.376 3.327
149 HZ PHE 24 HZ PHE 24 -11.315 -9.311 4.478
150 H ASN 25 H ASN 25 -8.005 -4.305 0.223
151 HA ASN 25 HA ASN 25 -5.911 -2.501 -0.338
152 HB2 ASN 25 1HB ASN 25 -7.443 -3.388 -2.062
153 HB3 ASN 25 2HB ASN 25 -8.762 -2.459 -1.355
154 HD21 ASN 25 1HD2 ASN 25 -5.400 -1.850 -2.331
155 HD22 ASN 25 2HD2 ASN 25 -5.743 -0.409 -3.221
156 H SER 26 H SER 26 -9.274 -1.771 0.612
157 HA SER 26 HA SER 26 -9.274 0.869 0.962
158 HB2 SER 26 1HB SER 26 -10.263 -0.943 3.170
159 HB3 SER 26 2HB SER 26 -10.890 0.642 2.719
160 HG SER 26 HG SER 26 -12.208 -0.966 1.857
161 H GLN 27 H GLN 27 -7.637 -1.401 3.103
162 HA GLN 27 HA GLN 27 -6.885 0.456 5.088
163 HB2 GLN 27 1HB GLN 27 -5.501 -2.105 4.270
164 HB3 GLN 27 2HB GLN 27 -5.242 -1.232 5.775
165 HG2 GLN 27 1HG GLN 27 -7.725 -1.576 6.212
166 HG3 GLN 27 2HG GLN 27 -7.675 -2.742 4.890
167 HE21 GLN 27 1HE2 GLN 27 -5.702 -1.934 7.733
168 HE22 GLN 27 2HE2 GLN 27 -5.526 -3.562 8.284
169 H LEU 28 H LEU 28 -4.838 -1.021 2.563
170 HA LEU 28 HA LEU 28 -2.590 0.513 2.874
171 HB2 LEU 28 1HB LEU 28 -2.563 -1.331 1.378
172 HB3 LEU 28 2HB LEU 28 -3.828 -0.620 0.378
173 HG LEU 28 HG LEU 28 -2.273 1.094 -0.391
174 HD11 LEU 28 1HD1 LEU 28 -0.906 1.217 1.651
175 HD12 LEU 28 2HD1 LEU 28 0.071 1.035 0.195
176 HD13 LEU 28 3HD1 LEU 28 -0.200 -0.349 1.253
177 HD21 LEU 28 3HD2 LEU 28 -0.804 -0.341 -1.712
178 HD22 LEU 28 1HD2 LEU 28 -2.439 -0.998 -1.638
179 HD23 LEU 28 2HD2 LEU 28 -1.161 -1.699 -0.644
180 H ILE 29 H ILE 29 -5.626 1.419 1.434
181 HA ILE 29 HA ILE 29 -4.676 3.765 0.115
182 HB ILE 29 HB ILE 29 -7.508 3.276 1.021
183 HG12 ILE 29 1HG1 ILE 29 -6.260 1.394 -0.352
184 HG13 ILE 29 2HG1 ILE 29 -7.912 1.855 -0.748
185 HG21 ILE 29 1HG2 ILE 29 -7.074 5.506 0.193
186 HG22 ILE 29 2HG2 ILE 29 -6.323 4.851 -1.260
187 HG23 ILE 29 3HG2 ILE 29 -8.048 4.617 -0.977
188 HD11 ILE 29 3HD1 ILE 29 -6.647 1.649 -2.765
189 HD12 ILE 29 1HD1 ILE 29 -7.019 3.352 -2.502
190 HD13 ILE 29 2HD1 ILE 29 -5.404 2.737 -2.150
191 H VAL 30 H VAL 30 -6.178 3.113 3.249
192 HA VAL 30 HA VAL 30 -6.386 5.841 4.031
193 HB VAL 30 HB VAL 30 -6.357 3.332 5.714
194 HG11 VAL 30 1HG1 VAL 30 -7.754 5.299 7.073
195 HG12 VAL 30 2HG1 VAL 30 -6.136 4.707 7.455
196 HG13 VAL 30 3HG1 VAL 30 -6.337 6.139 6.444
197 HG21 VAL 30 3HG2 VAL 30 -8.326 3.054 4.652
198 HG22 VAL 30 1HG2 VAL 30 -8.890 4.275 5.793
199 HG23 VAL 30 2HG2 VAL 30 -8.419 4.745 4.160
200 H HIS 31 H HIS 31 -3.840 3.494 4.106
201 HA HIS 31 HA HIS 31 -2.253 4.888 6.066
202 HB2 HIS 31 1HB HIS 31 -1.812 2.600 6.064
203 HB3 HIS 31 2HB HIS 31 -1.830 2.497 4.305
204 HD1 HIS 31 HD1 HIS 31 0.358 3.796 7.111
205 HD2 HIS 31 HD2 HIS 31 0.627 2.649 3.127
206 HE1 HIS 31 HE1 HIS 31 2.815 3.803 6.574
207 H GLN 32 H GLN 32 -2.070 4.376 2.550
208 HA GLN 32 HA GLN 32 0.225 5.792 1.992
209 HB2 GLN 32 1HB GLN 32 -2.306 5.375 0.429
210 HB3 GLN 32 2HB GLN 32 -0.990 6.339 -0.229
211 HG2 GLN 32 1HG GLN 32 0.437 4.227 0.402
212 HG3 GLN 32 2HG GLN 32 -1.126 3.418 0.301
213 HE21 GLN 32 1HE2 GLN 32 -0.358 2.229 -1.484
214 HE22 GLN 32 2HE2 GLN 32 -0.252 2.940 -3.054
215 H ARG 33 H ARG 33 -2.870 6.986 2.969
216 HA ARG 33 HA ARG 33 -2.714 9.618 2.009
217 HB2 ARG 33 1HB ARG 33 -4.001 8.837 4.619
218 HB3 ARG 33 2HB ARG 33 -4.462 10.136 3.527
219 HG2 ARG 33 1HG ARG 33 -4.855 8.164 1.846
220 HG3 ARG 33 2HG ARG 33 -4.984 7.215 3.329
221 HD2 ARG 33 1HD ARG 33 -7.173 8.004 2.589
222 HD3 ARG 33 2HD ARG 33 -6.730 8.708 4.144
223 HE ARG 33 HE ARG 33 -5.903 10.561 2.341
224 HH11 ARG 33 1HH1 ARG 33 -8.925 8.934 2.926
225 HH12 ARG 33 2HH1 ARG 33 -9.895 10.255 2.363
226 HH21 ARG 33 1HH2 ARG 33 -7.169 12.306 1.596
227 HH22 ARG 33 2HH2 ARG 33 -8.895 12.172 1.606
228 H ILE 34 H ILE 34 -0.735 8.061 4.195
229 HA ILE 34 HA ILE 34 -0.174 10.373 5.855
230 HB ILE 34 HB ILE 34 1.251 9.007 7.121
231 HG12 ILE 34 1HG1 ILE 34 1.262 7.039 4.821
232 HG13 ILE 34 2HG1 ILE 34 2.582 8.122 5.248
233 HG21 ILE 34 1HG2 ILE 34 -1.263 7.806 6.202
234 HG22 ILE 34 2HG2 ILE 34 -0.150 6.686 6.986
235 HG23 ILE 34 3HG2 ILE 34 -0.690 8.133 7.838
236 HD11 ILE 34 3HD1 ILE 34 3.207 6.074 6.143
237 HD12 ILE 34 1HD1 ILE 34 2.546 6.952 7.522
238 HD13 ILE 34 2HD1 ILE 34 1.577 5.718 6.715
239 H HIS 35 H HIS 35 1.109 8.793 3.038
240 HA HIS 35 HA HIS 35 3.663 10.111 3.129
241 HB2 HIS 35 1HB HIS 35 2.264 8.535 0.964
242 HB3 HIS 35 2HB HIS 35 3.884 9.204 0.789
243 HD1 HIS 35 HD1 HIS 35 5.579 8.340 2.829
244 HD2 HIS 35 HD2 HIS 35 2.278 5.999 1.886
245 HE1 HIS 35 HE1 HIS 35 6.090 6.055 3.747
246 H THR 36 H THR 36 0.647 10.522 1.315
247 HA THR 36 HA THR 36 1.684 13.019 0.177
248 HB THR 36 HB THR 36 0.682 11.442 -1.415
249 HG1 THR 36 HG1 THR 36 -1.202 13.517 -1.274
250 HG21 THR 36 3HG2 THR 36 -1.758 11.778 0.322
251 HG22 THR 36 1HG2 THR 36 -0.926 10.283 -0.103
252 HG23 THR 36 2HG2 THR 36 -1.832 11.168 -1.331
253 H GLY 37 H GLY 37 1.037 12.955 2.948
254 HA2 GLY 37 1HA GLY 37 -0.566 15.269 3.141
255 HA3 GLY 37 2HA GLY 37 -1.530 13.866 3.578
256 H GLU 38 H GLU 38 1.913 14.424 4.186
257 HA GLU 38 HA GLU 38 1.613 15.199 6.890
258 HB2 GLU 38 1HB GLU 38 0.902 12.708 6.843
259 HB3 GLU 38 2HB GLU 38 2.616 12.379 6.627
260 HG2 GLU 38 1HG GLU 38 3.041 13.686 8.717
261 HG3 GLU 38 2HG GLU 38 1.295 13.747 8.955
262 H ASN 39 H ASN 39 3.343 16.427 7.161
263 HA ASN 39 HA ASN 39 5.949 15.429 6.239
264 HB2 ASN 39 1HB ASN 39 4.934 17.178 4.682
265 HB3 ASN 39 2HB ASN 39 5.148 18.328 5.998
266 HD21 ASN 39 1HD2 ASN 39 6.671 16.516 3.514
267 HD22 ASN 39 2HD2 ASN 39 8.259 17.169 3.708
268 HA PRO 40 HA PRO 40 6.091 16.696 10.690
269 HB2 PRO 40 1HB PRO 40 7.548 14.548 11.486
270 HB3 PRO 40 2HB PRO 40 5.784 14.523 11.371
271 HG2 PRO 40 1HG PRO 40 7.823 13.492 9.437
272 HG3 PRO 40 2HG PRO 40 6.307 12.743 9.970
273 HD2 PRO 40 1HD PRO 40 6.539 14.038 7.603
274 HD3 PRO 40 2HD PRO 40 5.028 14.015 8.534
275 H SER 41 H SER 41 8.656 15.275 8.678
276 HA SER 41 HA SER 41 10.465 17.389 9.623
277 HB2 SER 41 1HB SER 41 10.816 15.009 10.660
278 HB3 SER 41 2HB SER 41 11.534 14.636 9.093
279 HG SER 41 HG SER 41 13.239 15.424 10.096
280 H GLY 42 H GLY 42 10.205 14.726 7.258
281 HA2 GLY 42 1HA GLY 42 10.162 16.199 4.951
282 HA3 GLY 42 2HA GLY 42 11.869 16.077 5.350
283 HA PRO 43 HA PRO 43 10.331 11.551 4.578
284 HB2 PRO 43 1HB PRO 43 7.840 11.286 3.530
285 HB3 PRO 43 2HB PRO 43 8.155 11.294 5.269
286 HG2 PRO 43 1HG PRO 43 7.194 13.516 3.508
287 HG3 PRO 43 2HG PRO 43 6.635 13.048 5.124
288 HD2 PRO 43 1HD PRO 43 8.324 15.123 4.712
289 HD3 PRO 43 2HD PRO 43 8.381 14.122 6.178
290 H SER 44 H SER 44 9.761 10.278 2.515
291 HA SER 44 HA SER 44 11.035 11.602 0.313
292 HB2 SER 44 1HB SER 44 10.938 9.469 -0.803
293 HB3 SER 44 2HB SER 44 11.357 9.175 0.885
294 HG SER 44 HG SER 44 9.275 8.241 -0.506
295 H SER 45 H SER 45 10.160 12.391 -1.526
296 HA SER 45 HA SER 45 7.281 12.765 -1.565
297 HB2 SER 45 1HB SER 45 7.749 14.297 -3.460
298 HB3 SER 45 2HB SER 45 8.691 14.700 -2.024
299 HG SER 45 HG SER 45 10.492 14.022 -2.989
300 H GLY 46 H GLY 46 9.791 11.398 -3.679
301 HA2 GLY 46 1HA GLY 46 9.667 9.857 -5.375
302 HA3 GLY 46 2HA GLY 46 8.226 9.255 -4.568
Start of MODEL 11
1 H1 GLY 1 H GLY 1 19.332 -6.872 10.749
2 HA2 GLY 1 1HA GLY 1 19.806 -5.324 8.833
3 HA3 GLY 1 2HA GLY 1 21.132 -6.413 8.450
4 H SER 2 H SER 2 17.611 -6.212 8.719
5 HA SER 2 HA SER 2 15.958 -7.549 7.841
6 HB2 SER 2 1HB SER 2 16.965 -6.014 5.961
7 HB3 SER 2 2HB SER 2 17.532 -7.544 5.291
8 HG SER 2 HG SER 2 14.911 -7.603 6.079
9 H SER 3 H SER 3 17.769 -9.138 9.203
10 HA SER 3 HA SER 3 18.301 -11.428 7.460
11 HB2 SER 3 1HB SER 3 19.103 -10.916 10.335
12 HB3 SER 3 2HB SER 3 19.575 -12.323 9.382
13 HG SER 3 HG SER 3 20.401 -10.595 7.858
14 H GLY 4 H GLY 4 16.983 -13.122 7.394
15 HA2 GLY 4 1HA GLY 4 15.733 -14.315 9.593
16 HA3 GLY 4 2HA GLY 4 14.571 -13.225 8.852
17 H SER 5 H SER 5 15.232 -13.534 6.169
18 HA SER 5 HA SER 5 14.402 -14.811 4.448
19 HB2 SER 5 1HB SER 5 16.526 -16.488 5.763
20 HB3 SER 5 2HB SER 5 15.689 -17.059 4.320
21 HG SER 5 HG SER 5 17.123 -14.620 4.561
22 H SER 6 H SER 6 12.622 -14.867 6.569
23 HA SER 6 HA SER 6 11.701 -17.667 6.574
24 HB2 SER 6 1HB SER 6 11.184 -15.482 8.605
25 HB3 SER 6 2HB SER 6 10.466 -17.092 8.654
26 HG SER 6 HG SER 6 12.983 -17.562 8.422
27 H GLY 7 H GLY 7 9.301 -17.912 6.699
28 HA2 GLY 7 1HA GLY 7 8.089 -16.420 4.578
29 HA3 GLY 7 2HA GLY 7 7.322 -17.675 5.539
30 H THR 8 H THR 8 8.492 -14.327 5.884
31 HA THR 8 HA THR 8 7.046 -13.585 8.108
32 HB THR 8 HB THR 8 7.076 -11.249 7.144
33 HG1 THR 8 HG1 THR 8 8.724 -12.235 5.092
34 HG21 THR 8 3HG2 THR 8 9.033 -11.208 8.206
35 HG22 THR 8 1HG2 THR 8 9.818 -11.783 6.735
36 HG23 THR 8 2HG2 THR 8 9.246 -12.938 7.939
37 H GLY 9 H GLY 9 6.021 -13.400 4.703
38 HA2 GLY 9 1HA GLY 9 3.701 -14.077 4.232
39 HA3 GLY 9 2HA GLY 9 3.238 -13.193 5.678
40 H GLU 10 H GLU 10 3.042 -13.062 2.466
41 HA GLU 10 HA GLU 10 3.486 -10.167 2.267
42 HB2 GLU 10 1HB GLU 10 3.471 -10.436 -0.115
43 HB3 GLU 10 2HB GLU 10 4.528 -11.668 0.561
44 HG2 GLU 10 1HG GLU 10 2.929 -13.371 0.205
45 HG3 GLU 10 2HG GLU 10 1.661 -12.200 -0.155
46 H LYS 11 H LYS 11 1.864 -8.898 1.074
47 HA LYS 11 HA LYS 11 -0.866 -9.932 1.478
48 HB2 LYS 11 1HB LYS 11 -0.039 -7.050 1.830
49 HB3 LYS 11 2HB LYS 11 -1.595 -7.771 2.221
50 HG2 LYS 11 1HG LYS 11 0.820 -8.845 3.573
51 HG3 LYS 11 2HG LYS 11 0.211 -7.266 4.073
52 HD2 LYS 11 1HD LYS 11 -1.018 -8.578 5.472
53 HD3 LYS 11 2HD LYS 11 -2.095 -8.589 4.073
54 HE2 LYS 11 1HE LYS 11 0.023 -10.664 4.201
55 HE3 LYS 11 2HE LYS 11 -1.337 -10.819 5.311
56 HZ1 LYS 11 3HZ LYS 11 -2.591 -11.571 3.667
57 HZ2 LYS 11 1HZ LYS 11 -1.249 -11.542 2.637
58 HZ3 LYS 11 2HZ LYS 11 -2.278 -10.202 2.723
59 HA PRO 12 HA PRO 12 -1.711 -8.886 -2.702
60 HB2 PRO 12 1HB PRO 12 -4.346 -8.249 -2.552
61 HB3 PRO 12 2HB PRO 12 -3.749 -9.907 -2.416
62 HG2 PRO 12 1HG PRO 12 -4.550 -7.999 -0.253
63 HG3 PRO 12 2HG PRO 12 -4.910 -9.728 -0.409
64 HD2 PRO 12 1HD PRO 12 -2.949 -8.788 1.204
65 HD3 PRO 12 2HD PRO 12 -2.840 -10.359 0.384
66 H HIS 13 H HIS 13 -1.399 -6.618 -0.371
67 HA HIS 13 HA HIS 13 -1.556 -4.448 -2.300
68 HB2 HIS 13 1HB HIS 13 -3.052 -4.377 0.329
69 HB3 HIS 13 2HB HIS 13 -2.827 -2.996 -0.741
70 HD2 HIS 13 HD2 HIS 13 -5.328 -5.758 -0.151
71 HE1 HIS 13 HE1 HIS 13 -6.068 -4.329 -4.076
72 HE2 HIS 13 HE2 HIS 13 -6.971 -5.674 -2.147
73 H GLU 14 H GLU 14 0.526 -3.856 -2.224
74 HA GLU 14 HA GLU 14 1.767 -3.463 0.416
75 HB2 GLU 14 1HB GLU 14 2.744 -5.017 -1.493
76 HB3 GLU 14 2HB GLU 14 3.377 -3.492 -2.096
77 HG2 GLU 14 1HG GLU 14 4.709 -3.160 -0.213
78 HG3 GLU 14 2HG GLU 14 3.809 -4.337 0.743
79 H CYS 15 H CYS 15 2.912 -1.562 0.853
80 HA CYS 15 HA CYS 15 1.976 0.747 -0.658
81 HB2 CYS 15 1HB CYS 15 1.895 0.553 1.898
82 HB3 CYS 15 2HB CYS 15 3.635 0.816 1.857
83 H ARG 16 H ARG 16 3.218 0.846 -2.489
84 HA ARG 16 HA ARG 16 5.955 0.368 -2.687
85 HB2 ARG 16 1HB ARG 16 4.155 2.168 -4.311
86 HB3 ARG 16 2HB ARG 16 5.824 1.823 -4.743
87 HG2 ARG 16 1HG ARG 16 4.008 -0.474 -4.263
88 HG3 ARG 16 2HG ARG 16 3.810 0.454 -5.751
89 HD2 ARG 16 1HD ARG 16 6.051 0.015 -6.418
90 HD3 ARG 16 2HD ARG 16 6.455 -0.653 -4.837
91 HE ARG 16 HE ARG 16 4.527 -2.316 -5.635
92 HH11 ARG 16 1HH1 ARG 16 7.328 -1.087 -7.299
93 HH12 ARG 16 2HH1 ARG 16 7.518 -2.495 -8.291
94 HH21 ARG 16 1HH2 ARG 16 4.767 -4.175 -6.936
95 HH22 ARG 16 2HH2 ARG 16 6.060 -4.250 -8.084
96 H GLU 17 H GLU 17 4.348 2.890 -1.118
97 HA GLU 17 HA GLU 17 6.255 4.972 -1.500
98 HB2 GLU 17 1HB GLU 17 4.227 4.580 0.708
99 HB3 GLU 17 2HB GLU 17 5.118 6.063 0.397
100 HG2 GLU 17 1HG GLU 17 3.477 4.872 -1.783
101 HG3 GLU 17 2HG GLU 17 2.681 5.757 -0.483
102 H CYS 18 H CYS 18 5.594 2.818 1.264
103 HA CYS 18 HA CYS 18 8.352 3.306 2.180
104 HB2 CYS 18 1HB CYS 18 7.546 2.746 4.449
105 HB3 CYS 18 2HB CYS 18 6.715 4.144 3.775
106 H GLY 19 H GLY 19 5.812 0.871 1.805
107 HA2 GLY 19 1HA GLY 19 6.714 -1.246 0.778
108 HA3 GLY 19 2HA GLY 19 7.886 -1.214 2.088
109 H LYS 20 H LYS 20 4.919 -0.064 3.138
110 HA LYS 20 HA LYS 20 4.511 -2.186 4.938
111 HB2 LYS 20 1HB LYS 20 2.986 0.232 4.117
112 HB3 LYS 20 2HB LYS 20 2.100 -1.028 4.965
113 HG2 LYS 20 1HG LYS 20 4.140 -0.869 6.626
114 HG3 LYS 20 2HG LYS 20 4.271 0.750 5.935
115 HD2 LYS 20 1HD LYS 20 2.176 1.388 6.721
116 HD3 LYS 20 2HD LYS 20 1.635 -0.281 6.919
117 HE2 LYS 20 1HE LYS 20 3.534 -0.418 8.681
118 HE3 LYS 20 2HE LYS 20 3.455 1.343 8.658
119 HZ1 LYS 20 3HZ LYS 20 2.051 0.232 10.380
120 HZ2 LYS 20 1HZ LYS 20 1.088 -0.379 9.130
121 HZ3 LYS 20 2HZ LYS 20 1.212 1.292 9.363
122 H SER 21 H SER 21 2.274 -3.296 5.080
123 HA SER 21 HA SER 21 1.260 -4.110 2.467
124 HB2 SER 21 1HB SER 21 1.573 -6.454 2.846
125 HB3 SER 21 2HB SER 21 3.131 -5.678 3.132
126 HG SER 21 HG SER 21 2.926 -6.007 5.262
127 H PHE 22 H PHE 22 -0.881 -4.494 2.470
128 HA PHE 22 HA PHE 22 -2.229 -4.861 5.056
129 HB2 PHE 22 1HB PHE 22 -3.267 -3.064 2.859
130 HB3 PHE 22 2HB PHE 22 -3.948 -3.281 4.468
131 HD1 PHE 22 HD2 PHE 22 -0.947 -2.036 2.677
132 HD2 PHE 22 HD1 PHE 22 -3.290 -1.909 6.229
133 HE1 PHE 22 HE2 PHE 22 0.404 -0.150 3.497
134 HE2 PHE 22 HE1 PHE 22 -1.943 -0.022 7.054
135 HZ PHE 22 HZ PHE 22 -0.093 0.859 5.688
136 H SER 23 H SER 23 -3.464 -6.609 5.059
137 HA SER 23 HA SER 23 -3.809 -8.323 2.916
138 HB2 SER 23 1HB SER 23 -5.129 -8.007 5.568
139 HB3 SER 23 2HB SER 23 -5.917 -9.051 4.385
140 HG SER 23 HG SER 23 -3.737 -10.041 4.182
141 H PHE 24 H PHE 24 -5.546 -5.455 3.715
142 HA PHE 24 HA PHE 24 -7.432 -6.003 1.519
143 HB2 PHE 24 1HB PHE 24 -7.882 -4.698 4.185
144 HB3 PHE 24 2HB PHE 24 -8.904 -4.285 2.812
145 HD1 PHE 24 HD2 PHE 24 -7.866 -6.993 5.074
146 HD2 PHE 24 HD1 PHE 24 -10.563 -5.786 2.010
147 HE1 PHE 24 HE2 PHE 24 -9.255 -8.975 5.520
148 HE2 PHE 24 HE1 PHE 24 -11.957 -7.765 2.452
149 HZ PHE 24 HZ PHE 24 -11.303 -9.363 4.208
150 H ASN 25 H ASN 25 -8.010 -4.241 0.185
151 HA ASN 25 HA ASN 25 -5.886 -2.436 -0.349
152 HB2 ASN 25 1HB ASN 25 -7.349 -3.298 -2.124
153 HB3 ASN 25 2HB ASN 25 -8.720 -2.450 -1.412
154 HD21 ASN 25 1HD2 ASN 25 -5.378 -1.686 -2.345
155 HD22 ASN 25 2HD2 ASN 25 -5.769 -0.226 -3.183
156 H SER 26 H SER 26 -9.269 -1.771 0.577
157 HA SER 26 HA SER 26 -9.300 0.870 0.959
158 HB2 SER 26 1HB SER 26 -10.816 0.524 2.914
159 HB3 SER 26 2HB SER 26 -11.224 -0.487 1.528
160 HG SER 26 HG SER 26 -9.454 -1.592 3.345
161 H GLN 27 H GLN 27 -7.581 -1.413 2.988
162 HA GLN 27 HA GLN 27 -6.918 0.414 5.058
163 HB2 GLN 27 1HB GLN 27 -5.562 -2.151 4.209
164 HB3 GLN 27 2HB GLN 27 -5.226 -1.280 5.699
165 HG2 GLN 27 1HG GLN 27 -7.665 -1.580 6.276
166 HG3 GLN 27 2HG GLN 27 -7.753 -2.698 4.915
167 HE21 GLN 27 1HE2 GLN 27 -5.617 -2.072 7.684
168 HE22 GLN 27 2HE2 GLN 27 -5.460 -3.727 8.153
169 H LEU 28 H LEU 28 -4.805 -1.024 2.565
170 HA LEU 28 HA LEU 28 -2.578 0.519 2.924
171 HB2 LEU 28 1HB LEU 28 -2.549 -1.306 1.392
172 HB3 LEU 28 2HB LEU 28 -3.771 -0.546 0.375
173 HG LEU 28 HG LEU 28 -2.169 1.155 -0.309
174 HD11 LEU 28 1HD1 LEU 28 0.121 1.126 0.374
175 HD12 LEU 28 2HD1 LEU 28 -0.123 -0.348 1.312
176 HD13 LEU 28 3HD1 LEU 28 -0.883 1.159 1.824
177 HD21 LEU 28 3HD2 LEU 28 -1.304 -1.711 -0.599
178 HD22 LEU 28 1HD2 LEU 28 -0.526 -0.385 -1.463
179 HD23 LEU 28 2HD2 LEU 28 -2.235 -0.728 -1.730
180 H ILE 29 H ILE 29 -5.588 1.431 1.421
181 HA ILE 29 HA ILE 29 -4.638 3.804 0.166
182 HB ILE 29 HB ILE 29 -7.473 3.282 1.048
183 HG12 ILE 29 1HG1 ILE 29 -6.211 1.450 -0.373
184 HG13 ILE 29 2HG1 ILE 29 -7.860 1.919 -0.772
185 HG21 ILE 29 1HG2 ILE 29 -6.303 4.926 -1.192
186 HG22 ILE 29 2HG2 ILE 29 -8.024 4.686 -0.893
187 HG23 ILE 29 3HG2 ILE 29 -7.035 5.543 0.289
188 HD11 ILE 29 3HD1 ILE 29 -6.575 1.779 -2.782
189 HD12 ILE 29 1HD1 ILE 29 -6.950 3.474 -2.468
190 HD13 ILE 29 2HD1 ILE 29 -5.338 2.847 -2.119
191 H VAL 30 H VAL 30 -6.175 3.112 3.277
192 HA VAL 30 HA VAL 30 -6.391 5.821 4.101
193 HB VAL 30 HB VAL 30 -6.346 3.284 5.739
194 HG11 VAL 30 1HG1 VAL 30 -6.559 6.135 6.495
195 HG12 VAL 30 2HG1 VAL 30 -7.669 5.016 7.288
196 HG13 VAL 30 3HG1 VAL 30 -5.927 4.763 7.405
197 HG21 VAL 30 3HG2 VAL 30 -8.882 4.379 5.802
198 HG22 VAL 30 1HG2 VAL 30 -8.366 4.614 4.132
199 HG23 VAL 30 2HG2 VAL 30 -8.367 2.997 4.836
200 H HIS 31 H HIS 31 -3.823 3.496 4.146
201 HA HIS 31 HA HIS 31 -2.247 4.902 6.113
202 HB2 HIS 31 1HB HIS 31 -1.783 2.625 6.142
203 HB3 HIS 31 2HB HIS 31 -1.836 2.487 4.388
204 HD1 HIS 31 HD1 HIS 31 0.404 3.884 7.109
205 HD2 HIS 31 HD2 HIS 31 0.601 2.576 3.171
206 HE1 HIS 31 HE1 HIS 31 2.850 3.871 6.527
207 H GLN 32 H GLN 32 -2.081 4.378 2.599
208 HA GLN 32 HA GLN 32 0.221 5.778 2.024
209 HB2 GLN 32 1HB GLN 32 -2.323 5.368 0.481
210 HB3 GLN 32 2HB GLN 32 -1.014 6.333 -0.188
211 HG2 GLN 32 1HG GLN 32 0.409 4.206 0.452
212 HG3 GLN 32 2HG GLN 32 -1.159 3.413 0.314
213 HE21 GLN 32 1HE2 GLN 32 -0.380 2.243 -1.476
214 HE22 GLN 32 2HE2 GLN 32 -0.239 2.976 -3.034
215 H ARG 33 H ARG 33 -2.871 6.994 3.000
216 HA ARG 33 HA ARG 33 -2.704 9.622 2.042
217 HB2 ARG 33 1HB ARG 33 -3.963 8.889 4.676
218 HB3 ARG 33 2HB ARG 33 -4.448 10.146 3.546
219 HG2 ARG 33 1HG ARG 33 -4.866 8.144 1.931
220 HG3 ARG 33 2HG ARG 33 -4.921 7.207 3.426
221 HD2 ARG 33 1HD ARG 33 -6.842 8.209 4.147
222 HD3 ARG 33 2HD ARG 33 -6.498 9.719 3.303
223 HE ARG 33 HE ARG 33 -6.955 7.874 1.325
224 HH11 ARG 33 1HH1 ARG 33 -8.729 9.107 4.055
225 HH12 ARG 33 2HH1 ARG 33 -10.280 8.880 3.316
226 HH21 ARG 33 1HH2 ARG 33 -8.991 7.571 0.341
227 HH22 ARG 33 2HH2 ARG 33 -10.427 8.005 1.204
228 H ILE 34 H ILE 34 -0.728 8.056 4.234
229 HA ILE 34 HA ILE 34 -0.135 10.365 5.881
230 HB ILE 34 HB ILE 34 1.307 8.995 7.122
231 HG12 ILE 34 1HG1 ILE 34 1.288 7.021 4.828
232 HG13 ILE 34 2HG1 ILE 34 2.605 8.125 5.207
233 HG21 ILE 34 1HG2 ILE 34 -1.228 7.830 6.251
234 HG22 ILE 34 2HG2 ILE 34 -0.106 6.663 6.949
235 HG23 ILE 34 3HG2 ILE 34 -0.593 8.082 7.877
236 HD11 ILE 34 3HD1 ILE 34 3.257 6.066 6.087
237 HD12 ILE 34 1HD1 ILE 34 2.685 6.987 7.478
238 HD13 ILE 34 2HD1 ILE 34 1.658 5.746 6.759
239 H HIS 35 H HIS 35 1.117 8.794 3.043
240 HA HIS 35 HA HIS 35 3.660 10.146 3.109
241 HB2 HIS 35 1HB HIS 35 2.285 8.522 0.962
242 HB3 HIS 35 2HB HIS 35 3.903 9.195 0.797
243 HD1 HIS 35 HD1 HIS 35 5.560 8.376 2.904
244 HD2 HIS 35 HD2 HIS 35 2.320 5.986 1.877
245 HE1 HIS 35 HE1 HIS 35 6.076 6.102 3.846
246 H THR 36 H THR 36 0.937 10.258 0.803
247 HA THR 36 HA THR 36 1.817 12.665 -0.415
248 HB THR 36 HB THR 36 0.415 11.175 -1.682
249 HG1 THR 36 HG1 THR 36 -1.465 12.802 -1.968
250 HG21 THR 36 3HG2 THR 36 -2.064 11.735 -0.196
251 HG22 THR 36 1HG2 THR 36 -0.916 10.681 0.628
252 HG23 THR 36 2HG2 THR 36 -1.518 10.248 -0.972
253 H GLY 37 H GLY 37 -0.275 11.946 2.288
254 HA2 GLY 37 1HA GLY 37 -1.603 14.430 2.463
255 HA3 GLY 37 2HA GLY 37 -1.376 13.295 3.784
256 H GLU 38 H GLU 38 0.978 13.267 4.629
257 HA GLU 38 HA GLU 38 1.951 16.044 4.780
258 HB2 GLU 38 1HB GLU 38 0.738 15.127 6.843
259 HB3 GLU 38 2HB GLU 38 2.132 14.077 7.053
260 HG2 GLU 38 1HG GLU 38 2.300 16.062 8.442
261 HG3 GLU 38 2HG GLU 38 3.587 16.014 7.238
262 H ASN 39 H ASN 39 3.943 16.264 4.031
263 HA ASN 39 HA ASN 39 5.567 14.210 3.133
264 HB2 ASN 39 1HB ASN 39 6.286 17.015 3.996
265 HB3 ASN 39 2HB ASN 39 7.415 15.927 3.194
266 HD21 ASN 39 1HD2 ASN 39 6.899 18.291 2.042
267 HD22 ASN 39 2HD2 ASN 39 5.927 18.087 0.629
268 HA PRO 40 HA PRO 40 7.321 12.462 6.780
269 HB2 PRO 40 1HB PRO 40 9.484 11.270 5.653
270 HB3 PRO 40 2HB PRO 40 7.840 10.647 5.471
271 HG2 PRO 40 1HG PRO 40 9.457 12.309 3.577
272 HG3 PRO 40 2HG PRO 40 8.425 10.908 3.235
273 HD2 PRO 40 1HD PRO 40 7.609 13.455 2.814
274 HD3 PRO 40 2HD PRO 40 6.491 12.160 3.288
275 H SER 41 H SER 41 8.737 13.078 8.325
276 HA SER 41 HA SER 41 10.022 15.459 8.372
277 HB2 SER 41 1HB SER 41 10.722 12.886 9.781
278 HB3 SER 41 2HB SER 41 11.580 14.392 10.107
279 HG SER 41 HG SER 41 10.001 14.717 11.457
280 H GLY 42 H GLY 42 11.782 12.395 7.840
281 HA2 GLY 42 1HA GLY 42 14.241 13.406 7.169
282 HA3 GLY 42 2HA GLY 42 13.586 11.923 6.490
283 HA PRO 43 HA PRO 43 13.772 13.836 2.538
284 HB2 PRO 43 1HB PRO 43 12.015 12.249 1.211
285 HB3 PRO 43 2HB PRO 43 13.636 11.713 1.670
286 HG2 PRO 43 1HG PRO 43 11.015 11.189 3.018
287 HG3 PRO 43 2HG PRO 43 12.357 10.072 2.709
288 HD2 PRO 43 1HD PRO 43 11.951 11.229 5.123
289 HD3 PRO 43 2HD PRO 43 13.571 10.833 4.515
290 H SER 44 H SER 44 12.644 15.264 1.232
291 HA SER 44 HA SER 44 10.258 16.397 2.406
292 HB2 SER 44 1HB SER 44 10.517 18.094 0.558
293 HB3 SER 44 2HB SER 44 11.909 17.960 1.633
294 HG SER 44 HG SER 44 11.796 17.596 -1.017
295 H SER 45 H SER 45 11.110 15.358 -0.901
296 HA SER 45 HA SER 45 9.873 14.432 -2.571
297 HB2 SER 45 1HB SER 45 8.105 13.553 -0.276
298 HB3 SER 45 2HB SER 45 7.991 12.950 -1.930
299 HG SER 45 HG SER 45 9.778 12.319 0.054
300 H GLY 46 H GLY 46 9.493 17.145 -2.089
301 HA2 GLY 46 1HA GLY 46 6.606 17.477 -2.626
302 HA3 GLY 46 2HA GLY 46 7.597 18.695 -1.837
Start of MODEL 12
1 H1 GLY 1 H GLY 1 25.233 -4.836 9.476
2 HA2 GLY 1 1HA GLY 1 24.633 -2.292 8.236
3 HA3 GLY 1 2HA GLY 1 24.676 -3.647 7.118
4 H SER 2 H SER 2 22.385 -2.109 7.552
5 HA SER 2 HA SER 2 20.660 -3.958 9.065
6 HB2 SER 2 1HB SER 2 20.066 -1.082 8.333
7 HB3 SER 2 2HB SER 2 19.114 -2.124 9.391
8 HG SER 2 HG SER 2 20.746 -0.535 10.315
9 H SER 3 H SER 3 21.430 -4.657 6.497
10 HA SER 3 HA SER 3 19.048 -4.081 4.868
11 HB2 SER 3 1HB SER 3 20.422 -4.888 2.947
12 HB3 SER 3 2HB SER 3 21.106 -3.470 3.742
13 HG SER 3 HG SER 3 22.750 -4.629 4.427
14 H GLY 4 H GLY 4 18.764 -5.893 6.949
15 HA2 GLY 4 1HA GLY 4 18.682 -8.484 5.530
16 HA3 GLY 4 2HA GLY 4 18.877 -8.330 7.269
17 H SER 5 H SER 5 17.115 -8.953 8.306
18 HA SER 5 HA SER 5 14.930 -9.435 8.764
19 HB2 SER 5 1HB SER 5 14.680 -6.639 7.636
20 HB3 SER 5 2HB SER 5 13.373 -7.480 8.469
21 HG SER 5 HG SER 5 14.260 -6.649 10.185
22 H SER 6 H SER 6 15.752 -10.587 6.388
23 HA SER 6 HA SER 6 14.276 -10.102 4.106
24 HB2 SER 6 1HB SER 6 15.247 -12.730 5.245
25 HB3 SER 6 2HB SER 6 14.577 -12.556 3.623
26 HG SER 6 HG SER 6 16.685 -12.272 3.282
27 H GLY 7 H GLY 7 12.168 -10.067 3.725
28 HA2 GLY 7 1HA GLY 7 9.966 -10.790 3.697
29 HA3 GLY 7 2HA GLY 7 10.424 -12.118 4.753
30 H THR 8 H THR 8 8.619 -9.371 4.562
31 HA THR 8 HA THR 8 8.651 -9.016 7.490
32 HB THR 8 HB THR 8 7.938 -6.914 5.436
33 HG1 THR 8 HG1 THR 8 9.933 -5.959 6.209
34 HG21 THR 8 3HG2 THR 8 7.345 -5.536 7.131
35 HG22 THR 8 1HG2 THR 8 8.557 -6.194 8.230
36 HG23 THR 8 2HG2 THR 8 7.037 -7.051 7.979
37 H GLY 9 H GLY 9 6.657 -9.000 4.562
38 HA2 GLY 9 1HA GLY 9 4.501 -10.322 5.839
39 HA3 GLY 9 2HA GLY 9 4.159 -8.602 5.725
40 H GLU 10 H GLU 10 3.141 -11.185 4.375
41 HA GLU 10 HA GLU 10 3.435 -10.269 1.592
42 HB2 GLU 10 1HB GLU 10 4.172 -12.619 2.184
43 HB3 GLU 10 2HB GLU 10 2.481 -12.985 2.497
44 HG2 GLU 10 1HG GLU 10 3.314 -13.662 0.246
45 HG3 GLU 10 2HG GLU 10 1.890 -12.623 0.233
46 H LYS 11 H LYS 11 1.787 -8.991 1.059
47 HA LYS 11 HA LYS 11 -0.935 -9.953 1.583
48 HB2 LYS 11 1HB LYS 11 -0.239 -7.035 1.823
49 HB3 LYS 11 2HB LYS 11 -1.708 -7.853 2.339
50 HG2 LYS 11 1HG LYS 11 0.965 -8.439 3.571
51 HG3 LYS 11 2HG LYS 11 -0.081 -7.140 4.149
52 HD2 LYS 11 1HD LYS 11 -1.888 -8.813 4.474
53 HD3 LYS 11 2HD LYS 11 -0.745 -10.081 4.024
54 HE2 LYS 11 1HE LYS 11 -0.286 -8.156 6.295
55 HE3 LYS 11 2HE LYS 11 -1.057 -9.728 6.497
56 HZ1 LYS 11 3HZ LYS 11 1.602 -9.258 6.643
57 HZ2 LYS 11 1HZ LYS 11 1.433 -9.849 5.067
58 HZ3 LYS 11 2HZ LYS 11 0.894 -10.772 6.378
59 HA PRO 12 HA PRO 12 -1.687 -9.022 -2.641
60 HB2 PRO 12 1HB PRO 12 -4.329 -8.401 -2.573
61 HB3 PRO 12 2HB PRO 12 -3.725 -10.050 -2.379
62 HG2 PRO 12 1HG PRO 12 -4.591 -8.092 -0.287
63 HG3 PRO 12 2HG PRO 12 -4.935 -9.828 -0.406
64 HD2 PRO 12 1HD PRO 12 -3.021 -8.831 1.229
65 HD3 PRO 12 2HD PRO 12 -2.881 -10.422 0.454
66 H HIS 13 H HIS 13 -1.449 -6.691 -0.364
67 HA HIS 13 HA HIS 13 -1.619 -4.571 -2.356
68 HB2 HIS 13 1HB HIS 13 -3.079 -4.467 0.291
69 HB3 HIS 13 2HB HIS 13 -2.853 -3.088 -0.781
70 HD2 HIS 13 HD2 HIS 13 -5.381 -5.812 -0.163
71 HE1 HIS 13 HE1 HIS 13 -6.118 -4.413 -4.100
72 HE2 HIS 13 HE2 HIS 13 -7.030 -5.726 -2.154
73 H GLU 14 H GLU 14 0.462 -3.969 -2.335
74 HA GLU 14 HA GLU 14 1.766 -3.536 0.266
75 HB2 GLU 14 1HB GLU 14 2.708 -5.070 -1.680
76 HB3 GLU 14 2HB GLU 14 3.303 -3.533 -2.290
77 HG2 GLU 14 1HG GLU 14 4.674 -3.190 -0.432
78 HG3 GLU 14 2HG GLU 14 3.826 -4.402 0.528
79 H CYS 15 H CYS 15 2.927 -1.623 0.652
80 HA CYS 15 HA CYS 15 1.871 0.682 -0.775
81 HB2 CYS 15 1HB CYS 15 1.941 0.538 1.748
82 HB3 CYS 15 2HB CYS 15 3.693 0.672 1.634
83 H ARG 16 H ARG 16 2.930 1.560 -2.413
84 HA ARG 16 HA ARG 16 5.709 0.910 -2.891
85 HB2 ARG 16 1HB ARG 16 3.782 1.122 -4.634
86 HB3 ARG 16 2HB ARG 16 4.121 2.845 -4.543
87 HG2 ARG 16 1HG ARG 16 5.385 2.124 -6.350
88 HG3 ARG 16 2HG ARG 16 6.552 2.193 -5.028
89 HD2 ARG 16 1HD ARG 16 7.040 0.139 -5.932
90 HD3 ARG 16 2HD ARG 16 5.865 -0.311 -4.696
91 HE ARG 16 HE ARG 16 4.694 0.216 -7.267
92 HH11 ARG 16 1HH1 ARG 16 6.209 -2.181 -5.247
93 HH12 ARG 16 2HH1 ARG 16 5.490 -3.522 -6.075
94 HH21 ARG 16 1HH2 ARG 16 3.741 -1.541 -8.365
95 HH22 ARG 16 2HH2 ARG 16 4.087 -3.157 -7.849
96 H GLU 17 H GLU 17 4.874 2.663 -0.613
97 HA GLU 17 HA GLU 17 6.466 5.038 -1.328
98 HB2 GLU 17 1HB GLU 17 4.391 4.897 0.860
99 HB3 GLU 17 2HB GLU 17 5.211 6.330 0.256
100 HG2 GLU 17 1HG GLU 17 4.093 5.585 -2.013
101 HG3 GLU 17 2HG GLU 17 2.963 4.791 -0.917
102 H CYS 18 H CYS 18 5.780 2.598 1.112
103 HA CYS 18 HA CYS 18 8.369 3.226 2.365
104 HB2 CYS 18 1HB CYS 18 7.427 2.672 4.556
105 HB3 CYS 18 2HB CYS 18 6.550 4.010 3.819
106 H GLY 19 H GLY 19 5.911 0.791 1.668
107 HA2 GLY 19 1HA GLY 19 6.792 -1.315 0.717
108 HA3 GLY 19 2HA GLY 19 8.004 -1.273 1.989
109 H LYS 20 H LYS 20 4.870 -0.256 2.902
110 HA LYS 20 HA LYS 20 4.609 -2.425 4.748
111 HB2 LYS 20 1HB LYS 20 3.081 0.045 4.103
112 HB3 LYS 20 2HB LYS 20 2.215 -1.247 4.924
113 HG2 LYS 20 1HG LYS 20 4.278 -1.200 6.532
114 HG3 LYS 20 2HG LYS 20 4.478 0.431 5.886
115 HD2 LYS 20 1HD LYS 20 3.111 0.883 7.662
116 HD3 LYS 20 2HD LYS 20 1.893 0.575 6.423
117 HE2 LYS 20 1HE LYS 20 1.115 -0.727 8.153
118 HE3 LYS 20 2HE LYS 20 2.089 -1.892 7.257
119 HZ1 LYS 20 3HZ LYS 20 3.726 -0.566 9.116
120 HZ2 LYS 20 1HZ LYS 20 3.324 -2.208 9.049
121 HZ3 LYS 20 2HZ LYS 20 2.353 -1.135 9.924
122 H SER 21 H SER 21 2.381 -3.532 4.926
123 HA SER 21 HA SER 21 1.272 -4.221 2.310
124 HB2 SER 21 1HB SER 21 1.515 -6.597 2.652
125 HB3 SER 21 2HB SER 21 3.104 -5.854 2.833
126 HG SER 21 HG SER 21 2.104 -5.817 5.218
127 H PHE 22 H PHE 22 -0.875 -4.554 2.350
128 HA PHE 22 HA PHE 22 -2.172 -4.936 4.964
129 HB2 PHE 22 1HB PHE 22 -3.216 -3.137 2.770
130 HB3 PHE 22 2HB PHE 22 -3.914 -3.366 4.370
131 HD1 PHE 22 HD2 PHE 22 -0.911 -2.093 2.609
132 HD2 PHE 22 HD1 PHE 22 -3.256 -2.027 6.160
133 HE1 PHE 22 HE2 PHE 22 0.434 -0.215 3.457
134 HE2 PHE 22 HE1 PHE 22 -1.916 -0.148 7.014
135 HZ PHE 22 HZ PHE 22 -0.068 0.759 5.663
136 H SER 23 H SER 23 -3.586 -6.560 5.027
137 HA SER 23 HA SER 23 -3.925 -8.345 2.909
138 HB2 SER 23 1HB SER 23 -4.253 -8.961 5.274
139 HB3 SER 23 2HB SER 23 -5.711 -7.970 5.327
140 HG SER 23 HG SER 23 -5.412 -10.042 3.434
141 H PHE 24 H PHE 24 -5.626 -5.446 3.707
142 HA PHE 24 HA PHE 24 -7.517 -5.977 1.511
143 HB2 PHE 24 1HB PHE 24 -7.963 -4.656 4.173
144 HB3 PHE 24 2HB PHE 24 -8.996 -4.276 2.799
145 HD1 PHE 24 HD2 PHE 24 -7.628 -7.266 4.564
146 HD2 PHE 24 HD1 PHE 24 -10.931 -5.478 2.562
147 HE1 PHE 24 HE2 PHE 24 -8.992 -9.256 5.046
148 HE2 PHE 24 HE1 PHE 24 -12.301 -7.465 3.042
149 HZ PHE 24 HZ PHE 24 -11.332 -9.358 4.284
150 H ASN 25 H ASN 25 -8.032 -4.248 0.141
151 HA ASN 25 HA ASN 25 -5.918 -2.447 -0.381
152 HB2 ASN 25 1HB ASN 25 -7.311 -3.203 -2.196
153 HB3 ASN 25 2HB ASN 25 -8.754 -2.552 -1.424
154 HD21 ASN 25 1HD2 ASN 25 -5.911 -1.838 -3.254
155 HD22 ASN 25 2HD2 ASN 25 -6.309 -0.199 -3.629
156 H SER 26 H SER 26 -9.281 -1.746 0.594
157 HA SER 26 HA SER 26 -9.294 0.889 0.981
158 HB2 SER 26 1HB SER 26 -10.770 0.563 2.956
159 HB3 SER 26 2HB SER 26 -11.195 -0.494 1.609
160 HG SER 26 HG SER 26 -11.092 -1.946 3.153
161 H GLN 27 H GLN 27 -7.608 -1.401 3.057
162 HA GLN 27 HA GLN 27 -6.855 0.440 5.065
163 HB2 GLN 27 1HB GLN 27 -5.445 -2.099 4.228
164 HB3 GLN 27 2HB GLN 27 -5.239 -1.252 5.755
165 HG2 GLN 27 1HG GLN 27 -7.712 -1.647 6.142
166 HG3 GLN 27 2HG GLN 27 -7.640 -2.760 4.777
167 HE21 GLN 27 1HE2 GLN 27 -5.606 -2.065 7.605
168 HE22 GLN 27 2HE2 GLN 27 -5.468 -3.708 8.122
169 H LEU 28 H LEU 28 -4.809 -1.033 2.537
170 HA LEU 28 HA LEU 28 -2.563 0.498 2.837
171 HB2 LEU 28 1HB LEU 28 -2.585 -1.347 1.324
172 HB3 LEU 28 2HB LEU 28 -3.813 -0.578 0.320
173 HG LEU 28 HG LEU 28 -2.192 1.105 -0.388
174 HD11 LEU 28 1HD1 LEU 28 0.153 0.920 0.215
175 HD12 LEU 28 2HD1 LEU 28 -0.208 -0.446 1.270
176 HD13 LEU 28 3HD1 LEU 28 -0.840 1.155 1.654
177 HD21 LEU 28 3HD2 LEU 28 -1.075 -0.231 -1.914
178 HD22 LEU 28 1HD2 LEU 28 -2.436 -1.249 -1.443
179 HD23 LEU 28 2HD2 LEU 28 -0.838 -1.539 -0.754
180 H ILE 29 H ILE 29 -5.597 1.413 1.384
181 HA ILE 29 HA ILE 29 -4.647 3.774 0.098
182 HB ILE 29 HB ILE 29 -7.480 3.270 0.996
183 HG12 ILE 29 1HG1 ILE 29 -6.231 1.411 -0.403
184 HG13 ILE 29 2HG1 ILE 29 -7.880 1.880 -0.800
185 HG21 ILE 29 1HG2 ILE 29 -7.068 5.512 0.207
186 HG22 ILE 29 2HG2 ILE 29 -6.289 4.893 -1.247
187 HG23 ILE 29 3HG2 ILE 29 -8.015 4.636 -0.995
188 HD11 ILE 29 3HD1 ILE 29 -5.371 2.820 -2.167
189 HD12 ILE 29 1HD1 ILE 29 -6.567 1.692 -2.806
190 HD13 ILE 29 2HD1 ILE 29 -7.001 3.380 -2.539
191 H VAL 30 H VAL 30 -6.148 3.093 3.226
192 HA VAL 30 HA VAL 30 -6.341 5.821 4.028
193 HB VAL 30 HB VAL 30 -6.356 3.301 5.695
194 HG11 VAL 30 1HG1 VAL 30 -7.617 4.915 7.288
195 HG12 VAL 30 2HG1 VAL 30 -5.853 4.949 7.243
196 HG13 VAL 30 3HG1 VAL 30 -6.782 6.180 6.387
197 HG21 VAL 30 3HG2 VAL 30 -8.334 3.018 4.677
198 HG22 VAL 30 1HG2 VAL 30 -8.888 4.331 5.715
199 HG23 VAL 30 2HG2 VAL 30 -8.363 4.672 4.066
200 H HIS 31 H HIS 31 -3.815 3.465 4.062
201 HA HIS 31 HA HIS 31 -2.233 4.801 6.071
202 HB2 HIS 31 1HB HIS 31 -1.844 2.492 6.005
203 HB3 HIS 31 2HB HIS 31 -1.786 2.456 4.246
204 HD1 HIS 31 HD1 HIS 31 0.284 3.688 7.174
205 HD2 HIS 31 HD2 HIS 31 0.723 2.576 3.195
206 HE1 HIS 31 HE1 HIS 31 2.763 3.680 6.748
207 H GLN 32 H GLN 32 -2.020 4.347 2.547
208 HA GLN 32 HA GLN 32 0.288 5.767 2.042
209 HB2 GLN 32 1HB GLN 32 -2.224 5.407 0.427
210 HB3 GLN 32 2HB GLN 32 -0.859 6.325 -0.195
211 HG2 GLN 32 1HG GLN 32 0.474 4.159 0.470
212 HG3 GLN 32 2HG GLN 32 -1.114 3.410 0.315
213 HE21 GLN 32 1HE2 GLN 32 -0.398 2.204 -1.461
214 HE22 GLN 32 2HE2 GLN 32 -0.192 2.920 -3.019
215 H ARG 33 H ARG 33 -2.801 6.946 3.025
216 HA ARG 33 HA ARG 33 -2.631 9.594 2.091
217 HB2 ARG 33 1HB ARG 33 -3.971 8.801 4.668
218 HB3 ARG 33 2HB ARG 33 -4.421 10.086 3.554
219 HG2 ARG 33 1HG ARG 33 -4.757 8.088 1.886
220 HG3 ARG 33 2HG ARG 33 -4.918 7.160 3.378
221 HD2 ARG 33 1HD ARG 33 -7.105 7.792 2.899
222 HD3 ARG 33 2HD ARG 33 -6.584 8.991 4.082
223 HE ARG 33 HE ARG 33 -6.006 10.198 1.753
224 HH11 ARG 33 1HH1 ARG 33 -8.872 8.598 2.913
225 HH12 ARG 33 2HH1 ARG 33 -9.954 9.580 1.982
226 HH21 ARG 33 1HH2 ARG 33 -7.420 11.497 0.523
227 HH22 ARG 33 2HH2 ARG 33 -9.127 11.228 0.622
228 H ILE 34 H ILE 34 -0.675 8.005 4.259
229 HA ILE 34 HA ILE 34 -0.155 10.281 5.986
230 HB ILE 34 HB ILE 34 1.256 8.892 7.242
231 HG12 ILE 34 1HG1 ILE 34 1.302 6.963 4.910
232 HG13 ILE 34 2HG1 ILE 34 2.610 8.053 5.357
233 HG21 ILE 34 1HG2 ILE 34 -1.257 7.749 6.290
234 HG22 ILE 34 2HG2 ILE 34 -0.153 6.562 6.984
235 HG23 ILE 34 3HG2 ILE 34 -0.656 7.959 7.935
236 HD11 ILE 34 3HD1 ILE 34 1.608 5.637 6.812
237 HD12 ILE 34 1HD1 ILE 34 3.233 5.979 6.218
238 HD13 ILE 34 2HD1 ILE 34 2.597 6.860 7.608
239 H HIS 35 H HIS 35 1.223 8.716 3.190
240 HA HIS 35 HA HIS 35 3.747 10.079 3.343
241 HB2 HIS 35 1HB HIS 35 2.440 8.538 1.092
242 HB3 HIS 35 2HB HIS 35 4.086 9.162 1.048
243 HD1 HIS 35 HD1 HIS 35 5.573 8.226 3.239
244 HD2 HIS 35 HD2 HIS 35 2.348 5.971 1.906
245 HE1 HIS 35 HE1 HIS 35 5.960 5.907 4.130
246 H THR 36 H THR 36 0.968 10.309 1.118
247 HA THR 36 HA THR 36 1.883 12.609 -0.226
248 HB THR 36 HB THR 36 0.213 11.331 -1.320
249 HG1 THR 36 HG1 THR 36 -1.329 12.932 -1.743
250 HG21 THR 36 3HG2 THR 36 -1.431 11.728 1.176
251 HG22 THR 36 1HG2 THR 36 -0.847 10.209 0.498
252 HG23 THR 36 2HG2 THR 36 -2.100 11.125 -0.340
253 H GLY 37 H GLY 37 2.596 13.814 1.731
254 HA2 GLY 37 1HA GLY 37 1.005 16.030 2.224
255 HA3 GLY 37 2HA GLY 37 0.694 14.906 3.538
256 H GLU 38 H GLU 38 3.193 13.807 3.926
257 HA GLU 38 HA GLU 38 4.482 15.930 5.362
258 HB2 GLU 38 1HB GLU 38 4.836 12.983 5.118
259 HB3 GLU 38 2HB GLU 38 6.207 13.926 5.686
260 HG2 GLU 38 1HG GLU 38 3.531 14.308 6.944
261 HG3 GLU 38 2HG GLU 38 4.517 12.914 7.380
262 H ASN 39 H ASN 39 6.450 16.877 4.981
263 HA ASN 39 HA ASN 39 7.651 16.332 2.346
264 HB2 ASN 39 1HB ASN 39 7.648 18.947 3.869
265 HB3 ASN 39 2HB ASN 39 8.318 18.676 2.263
266 HD21 ASN 39 1HD2 ASN 39 6.560 20.656 2.527
267 HD22 ASN 39 2HD2 ASN 39 5.038 20.239 1.823
268 HA PRO 40 HA PRO 40 11.373 15.239 4.433
269 HB2 PRO 40 1HB PRO 40 13.124 15.635 2.397
270 HB3 PRO 40 2HB PRO 40 12.013 14.262 2.455
271 HG2 PRO 40 1HG PRO 40 11.764 16.837 0.949
272 HG3 PRO 40 2HG PRO 40 11.408 15.186 0.409
273 HD2 PRO 40 1HD PRO 40 9.475 16.907 1.205
274 HD3 PRO 40 2HD PRO 40 9.353 15.153 1.452
275 H SER 41 H SER 41 10.476 18.313 3.770
276 HA SER 41 HA SER 41 11.211 20.357 4.449
277 HB2 SER 41 1HB SER 41 13.340 18.771 5.907
278 HB3 SER 41 2HB SER 41 12.961 20.472 6.177
279 HG SER 41 HG SER 41 10.708 19.063 6.350
280 H GLY 42 H GLY 42 11.852 19.836 1.943
281 HA2 GLY 42 1HA GLY 42 14.457 21.128 1.657
282 HA3 GLY 42 2HA GLY 42 14.242 19.581 0.851
283 HA PRO 43 HA PRO 43 12.347 21.468 -2.617
284 HB2 PRO 43 1HB PRO 43 10.189 19.907 -3.141
285 HB3 PRO 43 2HB PRO 43 11.850 19.375 -3.425
286 HG2 PRO 43 1HG PRO 43 10.037 18.773 -1.120
287 HG3 PRO 43 2HG PRO 43 11.120 17.684 -2.005
288 HD2 PRO 43 1HD PRO 43 11.771 18.751 0.397
289 HD3 PRO 43 2HD PRO 43 12.984 18.395 -0.850
290 H SER 44 H SER 44 11.774 23.382 -1.287
291 HA SER 44 HA SER 44 8.889 23.572 -0.747
292 HB2 SER 44 1HB SER 44 10.447 24.065 1.146
293 HB3 SER 44 2HB SER 44 11.087 25.418 0.214
294 HG SER 44 HG SER 44 8.612 25.896 0.133
295 H SER 45 H SER 45 11.600 25.264 -2.274
296 HA SER 45 HA SER 45 9.661 26.925 -3.740
297 HB2 SER 45 1HB SER 45 11.464 28.028 -2.281
298 HB3 SER 45 2HB SER 45 12.613 27.498 -3.510
299 HG SER 45 HG SER 45 10.798 29.545 -3.574
300 H GLY 46 H GLY 46 9.627 26.922 -5.936
301 HA2 GLY 46 1HA GLY 46 11.196 24.825 -7.243
302 HA3 GLY 46 2HA GLY 46 9.774 25.620 -7.903
Start of MODEL 13
1 H1 GLY 1 H GLY 1 27.260 -10.508 1.734
2 HA2 GLY 1 1HA GLY 1 26.070 -12.069 0.522
3 HA3 GLY 1 2HA GLY 1 26.264 -13.189 1.863
4 H SER 2 H SER 2 24.094 -11.300 0.147
5 HA SER 2 HA SER 2 22.080 -11.598 2.277
6 HB2 SER 2 1HB SER 2 20.992 -9.562 1.502
7 HB3 SER 2 2HB SER 2 22.676 -9.217 1.894
8 HG SER 2 HG SER 2 22.123 -9.955 -0.728
9 H SER 3 H SER 3 19.835 -11.751 1.451
10 HA SER 3 HA SER 3 19.788 -13.453 -0.932
11 HB2 SER 3 1HB SER 3 17.708 -13.063 1.234
12 HB3 SER 3 2HB SER 3 17.587 -14.203 -0.105
13 HG SER 3 HG SER 3 19.824 -14.835 0.882
14 H GLY 4 H GLY 4 17.507 -13.327 -2.072
15 HA2 GLY 4 1HA GLY 4 17.354 -10.647 -3.146
16 HA3 GLY 4 2HA GLY 4 16.476 -12.057 -3.722
17 H SER 5 H SER 5 14.395 -12.338 -3.131
18 HA SER 5 HA SER 5 13.313 -10.543 -1.063
19 HB2 SER 5 1HB SER 5 11.342 -10.137 -2.418
20 HB3 SER 5 2HB SER 5 12.776 -9.715 -3.354
21 HG SER 5 HG SER 5 11.882 -12.326 -3.602
22 H SER 6 H SER 6 11.191 -11.267 -0.214
23 HA SER 6 HA SER 6 11.217 -14.175 0.115
24 HB2 SER 6 1HB SER 6 10.060 -13.854 2.153
25 HB3 SER 6 2HB SER 6 11.233 -12.539 2.091
26 HG SER 6 HG SER 6 8.906 -12.068 2.634
27 H GLY 7 H GLY 7 9.750 -15.434 -0.824
28 HA2 GLY 7 1HA GLY 7 7.684 -14.288 -2.458
29 HA3 GLY 7 2HA GLY 7 8.008 -16.001 -2.233
30 H THR 8 H THR 8 6.786 -17.162 -0.832
31 HA THR 8 HA THR 8 4.241 -16.457 -0.186
32 HB THR 8 HB THR 8 5.258 -18.750 0.052
33 HG1 THR 8 HG1 THR 8 3.397 -17.551 1.710
34 HG21 THR 8 3HG2 THR 8 6.938 -17.529 1.852
35 HG22 THR 8 1HG2 THR 8 6.713 -19.269 1.680
36 HG23 THR 8 2HG2 THR 8 5.801 -18.378 2.898
37 H GLY 9 H GLY 9 3.191 -15.351 1.385
38 HA2 GLY 9 1HA GLY 9 2.988 -14.447 3.588
39 HA3 GLY 9 2HA GLY 9 4.742 -14.379 3.685
40 H GLU 10 H GLU 10 2.566 -13.199 1.141
41 HA GLU 10 HA GLU 10 3.397 -10.455 1.790
42 HB2 GLU 10 1HB GLU 10 3.378 -11.728 -0.951
43 HB3 GLU 10 2HB GLU 10 3.549 -10.001 -0.667
44 HG2 GLU 10 1HG GLU 10 5.431 -12.095 0.393
45 HG3 GLU 10 2HG GLU 10 5.688 -11.170 -1.085
46 H LYS 11 H LYS 11 1.731 -9.121 1.997
47 HA LYS 11 HA LYS 11 -0.937 -9.970 1.590
48 HB2 LYS 11 1HB LYS 11 -0.015 -7.116 1.925
49 HB3 LYS 11 2HB LYS 11 -1.585 -7.793 2.341
50 HG2 LYS 11 1HG LYS 11 0.988 -8.611 3.668
51 HG3 LYS 11 2HG LYS 11 -0.078 -7.343 4.279
52 HD2 LYS 11 1HD LYS 11 -1.926 -9.073 4.262
53 HD3 LYS 11 2HD LYS 11 -0.671 -10.280 3.970
54 HE2 LYS 11 1HE LYS 11 0.474 -9.461 6.040
55 HE3 LYS 11 2HE LYS 11 -0.938 -8.452 6.352
56 HZ1 LYS 11 3HZ LYS 11 -2.143 -10.202 7.021
57 HZ2 LYS 11 1HZ LYS 11 -0.644 -10.947 7.264
58 HZ3 LYS 11 2HZ LYS 11 -1.514 -11.242 5.844
59 HA PRO 12 HA PRO 12 -1.731 -8.912 -2.597
60 HB2 PRO 12 1HB PRO 12 -4.347 -8.203 -2.457
61 HB3 PRO 12 2HB PRO 12 -3.797 -9.877 -2.319
62 HG2 PRO 12 1HG PRO 12 -4.553 -7.946 -0.159
63 HG3 PRO 12 2HG PRO 12 -4.960 -9.665 -0.316
64 HD2 PRO 12 1HD PRO 12 -2.979 -8.778 1.304
65 HD3 PRO 12 2HD PRO 12 -2.910 -10.352 0.486
66 H HIS 13 H HIS 13 -1.372 -6.651 -0.263
67 HA HIS 13 HA HIS 13 -1.485 -4.477 -2.196
68 HB2 HIS 13 1HB HIS 13 -2.936 -4.380 0.456
69 HB3 HIS 13 2HB HIS 13 -2.677 -2.993 -0.597
70 HD2 HIS 13 HD2 HIS 13 -5.269 -5.667 -0.011
71 HE1 HIS 13 HE1 HIS 13 -5.998 -4.170 -3.913
72 HE2 HIS 13 HE2 HIS 13 -6.929 -5.502 -1.988
73 H GLU 14 H GLU 14 0.615 -3.944 -2.160
74 HA GLU 14 HA GLU 14 1.918 -3.594 0.456
75 HB2 GLU 14 1HB GLU 14 2.820 -5.173 -1.457
76 HB3 GLU 14 2HB GLU 14 3.459 -3.668 -2.103
77 HG2 GLU 14 1HG GLU 14 4.865 -3.336 -0.280
78 HG3 GLU 14 2HG GLU 14 3.969 -4.465 0.735
79 H CYS 15 H CYS 15 2.962 -1.696 0.957
80 HA CYS 15 HA CYS 15 2.122 0.627 -0.571
81 HB2 CYS 15 1HB CYS 15 2.075 0.371 2.009
82 HB3 CYS 15 2HB CYS 15 3.799 0.719 1.922
83 H ARG 16 H ARG 16 3.357 0.839 -2.371
84 HA ARG 16 HA ARG 16 6.113 0.294 -2.535
85 HB2 ARG 16 1HB ARG 16 5.963 0.972 -4.715
86 HB3 ARG 16 2HB ARG 16 4.256 0.712 -4.382
87 HG2 ARG 16 1HG ARG 16 5.620 3.383 -4.153
88 HG3 ARG 16 2HG ARG 16 4.771 2.823 -5.595
89 HD2 ARG 16 1HD ARG 16 3.358 2.741 -2.974
90 HD3 ARG 16 2HD ARG 16 3.561 4.298 -3.777
91 HE ARG 16 HE ARG 16 1.874 2.104 -4.621
92 HH11 ARG 16 1HH1 ARG 16 3.433 5.089 -5.501
93 HH12 ARG 16 2HH1 ARG 16 2.358 5.414 -6.819
94 HH21 ARG 16 1HH2 ARG 16 0.452 2.520 -6.355
95 HH22 ARG 16 2HH2 ARG 16 0.661 3.952 -7.304
96 H GLU 17 H GLU 17 4.469 2.831 -1.041
97 HA GLU 17 HA GLU 17 6.356 4.926 -1.461
98 HB2 GLU 17 1HB GLU 17 4.257 4.542 0.680
99 HB3 GLU 17 2HB GLU 17 5.194 6.014 0.460
100 HG2 GLU 17 1HG GLU 17 3.550 4.873 -1.766
101 HG3 GLU 17 2HG GLU 17 2.836 5.907 -0.530
102 H CYS 18 H CYS 18 5.678 2.852 1.361
103 HA CYS 18 HA CYS 18 8.412 3.406 2.308
104 HB2 CYS 18 1HB CYS 18 7.541 2.772 4.567
105 HB3 CYS 18 2HB CYS 18 6.796 4.219 3.895
106 H GLY 19 H GLY 19 5.948 0.893 1.926
107 HA2 GLY 19 1HA GLY 19 6.993 -1.197 0.926
108 HA3 GLY 19 2HA GLY 19 8.055 -1.135 2.325
109 H LYS 20 H LYS 20 5.278 -0.026 3.524
110 HA LYS 20 HA LYS 20 4.703 -2.236 5.095
111 HB2 LYS 20 1HB LYS 20 3.259 0.267 4.389
112 HB3 LYS 20 2HB LYS 20 2.325 -1.014 5.150
113 HG2 LYS 20 1HG LYS 20 4.025 -1.052 6.982
114 HG3 LYS 20 2HG LYS 20 4.750 0.383 6.252
115 HD2 LYS 20 1HD LYS 20 2.931 1.720 6.764
116 HD3 LYS 20 2HD LYS 20 1.828 0.348 6.889
117 HE2 LYS 20 1HE LYS 20 2.160 1.066 9.099
118 HE3 LYS 20 2HE LYS 20 3.188 -0.355 8.922
119 HZ1 LYS 20 3HZ LYS 20 3.992 2.052 9.858
120 HZ2 LYS 20 1HZ LYS 20 4.511 2.105 8.249
121 HZ3 LYS 20 2HZ LYS 20 5.018 0.848 9.260
122 H SER 21 H SER 21 2.206 -3.030 5.086
123 HA SER 21 HA SER 21 1.236 -3.707 2.461
124 HB2 SER 21 1HB SER 21 2.092 -6.006 4.218
125 HB3 SER 21 2HB SER 21 1.563 -6.060 2.537
126 HG SER 21 HG SER 21 3.995 -6.006 3.290
127 H PHE 22 H PHE 22 -0.876 -4.452 2.476
128 HA PHE 22 HA PHE 22 -2.145 -4.865 5.087
129 HB2 PHE 22 1HB PHE 22 -3.323 -3.062 2.967
130 HB3 PHE 22 2HB PHE 22 -3.948 -3.351 4.587
131 HD1 PHE 22 HD2 PHE 22 -0.948 -2.030 2.824
132 HD2 PHE 22 HD1 PHE 22 -3.412 -1.891 6.292
133 HE1 PHE 22 HE2 PHE 22 0.339 -0.106 3.657
134 HE2 PHE 22 HE1 PHE 22 -2.128 0.034 7.130
135 HZ PHE 22 HZ PHE 22 -0.249 0.928 5.813
136 H SER 23 H SER 23 -3.788 -6.332 5.101
137 HA SER 23 HA SER 23 -3.970 -8.135 2.912
138 HB2 SER 23 1HB SER 23 -4.265 -8.671 5.395
139 HB3 SER 23 2HB SER 23 -5.894 -8.017 5.233
140 HG SER 23 HG SER 23 -6.476 -9.703 4.065
141 H PHE 24 H PHE 24 -5.772 -5.349 3.893
142 HA PHE 24 HA PHE 24 -7.708 -5.863 1.731
143 HB2 PHE 24 1HB PHE 24 -8.083 -4.573 4.423
144 HB3 PHE 24 2HB PHE 24 -9.186 -4.237 3.092
145 HD1 PHE 24 HD2 PHE 24 -7.696 -7.081 4.977
146 HD2 PHE 24 HD1 PHE 24 -11.018 -5.599 2.765
147 HE1 PHE 24 HE2 PHE 24 -8.962 -9.119 5.519
148 HE2 PHE 24 HE1 PHE 24 -12.290 -7.635 3.305
149 HZ PHE 24 HZ PHE 24 -11.262 -9.399 4.683
150 H ASN 25 H ASN 25 -7.862 -4.382 0.157
151 HA ASN 25 HA ASN 25 -5.950 -2.455 -0.294
152 HB2 ASN 25 1HB ASN 25 -7.395 -3.268 -2.070
153 HB3 ASN 25 2HB ASN 25 -8.800 -2.534 -1.304
154 HD21 ASN 25 1HD2 ASN 25 -5.853 -1.941 -3.059
155 HD22 ASN 25 2HD2 ASN 25 -6.225 -0.320 -3.529
156 H SER 26 H SER 26 -9.308 -1.792 0.719
157 HA SER 26 HA SER 26 -9.355 0.843 1.096
158 HB2 SER 26 1HB SER 26 -10.779 0.495 3.117
159 HB3 SER 26 2HB SER 26 -11.232 -0.538 1.761
160 HG SER 26 HG SER 26 -11.007 -2.102 3.140
161 H GLN 27 H GLN 27 -7.663 -1.414 3.220
162 HA GLN 27 HA GLN 27 -6.884 0.462 5.175
163 HB2 GLN 27 1HB GLN 27 -5.478 -2.087 4.364
164 HB3 GLN 27 2HB GLN 27 -5.248 -1.213 5.873
165 HG2 GLN 27 1HG GLN 27 -7.656 -1.621 6.384
166 HG3 GLN 27 2HG GLN 27 -7.721 -2.658 4.960
167 HE21 GLN 27 1HE2 GLN 27 -5.911 -2.184 7.965
168 HE22 GLN 27 2HE2 GLN 27 -5.638 -3.863 8.270
169 H LEU 28 H LEU 28 -4.850 -1.043 2.657
170 HA LEU 28 HA LEU 28 -2.613 0.511 2.915
171 HB2 LEU 28 1HB LEU 28 -2.606 -1.360 1.445
172 HB3 LEU 28 2HB LEU 28 -3.869 -0.651 0.441
173 HG LEU 28 HG LEU 28 -2.312 1.038 -0.360
174 HD11 LEU 28 1HD1 LEU 28 -0.946 1.231 1.664
175 HD12 LEU 28 2HD1 LEU 28 0.044 0.969 0.228
176 HD13 LEU 28 3HD1 LEU 28 -0.257 -0.361 1.347
177 HD21 LEU 28 3HD2 LEU 28 -1.045 -1.688 -0.569
178 HD22 LEU 28 1HD2 LEU 28 -0.956 -0.366 -1.733
179 HD23 LEU 28 2HD2 LEU 28 -2.486 -1.201 -1.463
180 H ILE 29 H ILE 29 -5.662 1.369 1.463
181 HA ILE 29 HA ILE 29 -4.737 3.708 0.118
182 HB ILE 29 HB ILE 29 -7.562 3.201 1.039
183 HG12 ILE 29 1HG1 ILE 29 -6.302 1.321 -0.324
184 HG13 ILE 29 2HG1 ILE 29 -7.957 1.767 -0.724
185 HG21 ILE 29 1HG2 ILE 29 -7.396 5.380 0.211
186 HG22 ILE 29 2HG2 ILE 29 -6.293 4.903 -1.079
187 HG23 ILE 29 3HG2 ILE 29 -7.994 4.443 -1.159
188 HD11 ILE 29 3HD1 ILE 29 -6.678 1.553 -2.737
189 HD12 ILE 29 1HD1 ILE 29 -7.082 3.252 -2.491
190 HD13 ILE 29 2HD1 ILE 29 -5.457 2.670 -2.128
191 H VAL 30 H VAL 30 -6.218 3.083 3.267
192 HA VAL 30 HA VAL 30 -6.444 5.822 4.012
193 HB VAL 30 HB VAL 30 -6.399 3.336 5.729
194 HG11 VAL 30 1HG1 VAL 30 -7.590 4.892 7.364
195 HG12 VAL 30 2HG1 VAL 30 -5.846 5.094 7.182
196 HG13 VAL 30 3HG1 VAL 30 -6.953 6.214 6.386
197 HG21 VAL 30 3HG2 VAL 30 -8.414 4.574 4.052
198 HG22 VAL 30 1HG2 VAL 30 -8.418 2.999 4.847
199 HG23 VAL 30 2HG2 VAL 30 -8.944 4.434 5.728
200 H HIS 31 H HIS 31 -3.878 3.504 4.087
201 HA HIS 31 HA HIS 31 -2.297 4.933 6.033
202 HB2 HIS 31 1HB HIS 31 -1.865 2.637 6.063
203 HB3 HIS 31 2HB HIS 31 -1.851 2.518 4.305
204 HD1 HIS 31 HD1 HIS 31 0.267 4.048 7.068
205 HD2 HIS 31 HD2 HIS 31 0.639 2.478 3.239
206 HE1 HIS 31 HE1 HIS 31 2.736 4.013 6.593
207 H GLN 32 H GLN 32 -2.092 4.334 2.529
208 HA GLN 32 HA GLN 32 0.188 5.771 1.953
209 HB2 GLN 32 1HB GLN 32 -2.320 5.268 0.376
210 HB3 GLN 32 2HB GLN 32 -1.008 6.227 -0.296
211 HG2 GLN 32 1HG GLN 32 0.451 4.172 0.388
212 HG3 GLN 32 2HG GLN 32 -1.094 3.323 0.354
213 HE21 GLN 32 1HE2 GLN 32 -0.397 2.065 -1.391
214 HE22 GLN 32 2HE2 GLN 32 -0.308 2.704 -2.993
215 H ARG 33 H ARG 33 -2.909 6.939 2.917
216 HA ARG 33 HA ARG 33 -2.788 9.549 1.864
217 HB2 ARG 33 1HB ARG 33 -4.105 8.895 4.485
218 HB3 ARG 33 2HB ARG 33 -4.604 10.055 3.261
219 HG2 ARG 33 1HG ARG 33 -4.852 7.885 1.790
220 HG3 ARG 33 2HG ARG 33 -5.007 7.116 3.370
221 HD2 ARG 33 1HD ARG 33 -7.195 7.709 2.511
222 HD3 ARG 33 2HD ARG 33 -6.817 8.678 3.935
223 HE ARG 33 HE ARG 33 -6.022 10.274 1.922
224 HH11 ARG 33 1HH1 ARG 33 -8.970 8.517 2.504
225 HH12 ARG 33 2HH1 ARG 33 -9.968 9.655 1.661
226 HH21 ARG 33 1HH2 ARG 33 -7.325 11.780 0.811
227 HH22 ARG 33 2HH2 ARG 33 -9.031 11.511 0.698
228 H ILE 34 H ILE 34 -0.790 8.087 4.074
229 HA ILE 34 HA ILE 34 -0.308 10.438 5.710
230 HB ILE 34 HB ILE 34 1.133 9.126 7.017
231 HG12 ILE 34 1HG1 ILE 34 1.188 7.092 4.776
232 HG13 ILE 34 2HG1 ILE 34 2.483 8.223 5.155
233 HG21 ILE 34 1HG2 ILE 34 -0.222 6.785 6.946
234 HG22 ILE 34 2HG2 ILE 34 -0.814 8.251 7.726
235 HG23 ILE 34 3HG2 ILE 34 -1.346 7.845 6.094
236 HD11 ILE 34 3HD1 ILE 34 3.150 6.207 6.109
237 HD12 ILE 34 1HD1 ILE 34 2.512 7.142 7.462
238 HD13 ILE 34 2HD1 ILE 34 1.537 5.864 6.735
239 H HIS 35 H HIS 35 1.089 8.779 2.978
240 HA HIS 35 HA HIS 35 3.602 10.152 3.063
241 HB2 HIS 35 1HB HIS 35 2.251 8.561 0.876
242 HB3 HIS 35 2HB HIS 35 3.884 9.210 0.757
243 HD1 HIS 35 HD1 HIS 35 5.497 8.332 2.855
244 HD2 HIS 35 HD2 HIS 35 2.200 6.030 1.811
245 HE1 HIS 35 HE1 HIS 35 5.948 6.045 3.799
246 H THR 36 H THR 36 0.658 10.460 1.097
247 HA THR 36 HA THR 36 1.662 12.863 -0.176
248 HB THR 36 HB THR 36 0.338 11.302 -1.512
249 HG1 THR 36 HG1 THR 36 0.103 13.832 -1.517
250 HG21 THR 36 3HG2 THR 36 -1.883 11.959 0.426
251 HG22 THR 36 1HG2 THR 36 -1.116 10.389 0.196
252 HG23 THR 36 2HG2 THR 36 -2.095 11.088 -1.093
253 H GLY 37 H GLY 37 1.329 12.971 2.686
254 HA2 GLY 37 1HA GLY 37 -0.870 14.936 2.885
255 HA3 GLY 37 2HA GLY 37 -0.326 13.937 4.226
256 H GLU 38 H GLU 38 2.468 14.241 3.816
257 HA GLU 38 HA GLU 38 2.784 16.902 4.944
258 HB2 GLU 38 1HB GLU 38 3.827 14.869 5.981
259 HB3 GLU 38 2HB GLU 38 4.877 14.755 4.575
260 HG2 GLU 38 1HG GLU 38 5.999 15.823 6.452
261 HG3 GLU 38 2HG GLU 38 5.837 16.922 5.083
262 H ASN 39 H ASN 39 3.280 18.584 3.718
263 HA ASN 39 HA ASN 39 3.678 18.740 1.070
264 HB2 ASN 39 1HB ASN 39 4.884 20.850 1.415
265 HB3 ASN 39 2HB ASN 39 3.522 20.713 2.524
266 HD21 ASN 39 1HD2 ASN 39 5.359 22.504 3.154
267 HD22 ASN 39 2HD2 ASN 39 6.345 21.971 4.469
268 HA PRO 40 HA PRO 40 7.453 16.740 0.012
269 HB2 PRO 40 1HB PRO 40 7.965 17.997 -2.340
270 HB3 PRO 40 2HB PRO 40 6.694 16.783 -2.157
271 HG2 PRO 40 1HG PRO 40 6.476 19.769 -2.160
272 HG3 PRO 40 2HG PRO 40 5.437 18.571 -2.952
273 HD2 PRO 40 1HD PRO 40 4.763 19.768 -0.618
274 HD3 PRO 40 2HD PRO 40 4.281 18.105 -1.013
275 H SER 41 H SER 41 9.700 17.085 -0.131
276 HA SER 41 HA SER 41 10.675 19.295 1.345
277 HB2 SER 41 1HB SER 41 12.189 17.269 -0.321
278 HB3 SER 41 2HB SER 41 12.912 18.370 0.851
279 HG SER 41 HG SER 41 10.832 16.633 1.615
280 H GLY 42 H GLY 42 11.116 21.284 0.676
281 HA2 GLY 42 1HA GLY 42 11.469 23.076 -0.719
282 HA3 GLY 42 2HA GLY 42 12.608 22.012 -1.531
283 HA PRO 43 HA PRO 43 8.378 21.525 -3.843
284 HB2 PRO 43 1HB PRO 43 6.455 23.336 -3.215
285 HB3 PRO 43 2HB PRO 43 6.615 21.780 -2.392
286 HG2 PRO 43 1HG PRO 43 7.550 24.487 -1.523
287 HG3 PRO 43 2HG PRO 43 6.758 23.219 -0.571
288 HD2 PRO 43 1HD PRO 43 9.432 23.642 -0.495
289 HD3 PRO 43 2HD PRO 43 8.714 22.031 -0.293
290 H SER 44 H SER 44 7.514 22.690 -5.684
291 HA SER 44 HA SER 44 9.234 24.294 -7.021
292 HB2 SER 44 1HB SER 44 7.237 25.131 -8.326
293 HB3 SER 44 2HB SER 44 7.344 23.377 -8.174
294 HG SER 44 HG SER 44 5.912 24.730 -6.211
295 H SER 45 H SER 45 9.363 26.544 -7.497
296 HA SER 45 HA SER 45 9.714 28.275 -5.490
297 HB2 SER 45 1HB SER 45 10.027 28.649 -8.023
298 HB3 SER 45 2HB SER 45 8.377 29.273 -7.999
299 HG SER 45 HG SER 45 9.039 31.009 -6.982
300 H GLY 46 H GLY 46 6.609 27.936 -7.210
301 HA2 GLY 46 1HA GLY 46 5.136 29.787 -5.752
302 HA3 GLY 46 2HA GLY 46 4.459 28.366 -6.533
Start of MODEL 14
1 H1 GLY 1 H GLY 1 22.680 -18.722 15.708
2 HA2 GLY 1 1HA GLY 1 21.384 -16.893 13.894
3 HA3 GLY 1 2HA GLY 1 22.457 -18.030 13.092
4 H SER 2 H SER 2 19.521 -17.676 14.962
5 HA SER 2 HA SER 2 18.717 -20.368 14.076
6 HB2 SER 2 1HB SER 2 17.361 -20.522 16.179
7 HB3 SER 2 2HB SER 2 19.102 -20.495 16.456
8 HG SER 2 HG SER 2 18.334 -19.028 17.860
9 H SER 3 H SER 3 18.238 -18.084 12.576
10 HA SER 3 HA SER 3 15.313 -17.875 12.805
11 HB2 SER 3 1HB SER 3 15.424 -15.515 12.134
12 HB3 SER 3 2HB SER 3 16.309 -15.782 13.636
13 HG SER 3 HG SER 3 18.187 -15.495 12.605
14 H GLY 4 H GLY 4 14.316 -17.075 10.725
15 HA2 GLY 4 1HA GLY 4 15.466 -16.973 8.257
16 HA3 GLY 4 2HA GLY 4 15.317 -18.697 8.568
17 H SER 5 H SER 5 13.963 -18.415 6.556
18 HA SER 5 HA SER 5 11.919 -18.520 5.561
19 HB2 SER 5 1HB SER 5 10.912 -18.582 8.416
20 HB3 SER 5 2HB SER 5 9.952 -18.967 6.988
21 HG SER 5 HG SER 5 11.603 -20.619 6.573
22 H SER 6 H SER 6 13.068 -16.011 5.793
23 HA SER 6 HA SER 6 11.467 -14.006 6.891
24 HB2 SER 6 1HB SER 6 13.413 -14.043 4.595
25 HB3 SER 6 2HB SER 6 12.532 -12.574 5.015
26 HG SER 6 HG SER 6 14.655 -12.895 6.038
27 H GLY 7 H GLY 7 9.801 -12.746 6.102
28 HA2 GLY 7 1HA GLY 7 7.902 -12.267 4.904
29 HA3 GLY 7 2HA GLY 7 8.792 -12.799 3.485
30 H THR 8 H THR 8 6.145 -13.391 5.406
31 HA THR 8 HA THR 8 5.907 -16.135 4.356
32 HB THR 8 HB THR 8 4.536 -16.720 6.303
33 HG1 THR 8 HG1 THR 8 3.854 -14.513 6.748
34 HG21 THR 8 3HG2 THR 8 6.978 -17.101 6.359
35 HG22 THR 8 1HG2 THR 8 6.304 -16.812 7.962
36 HG23 THR 8 2HG2 THR 8 7.185 -15.530 7.132
37 H GLY 9 H GLY 9 4.665 -15.758 2.579
38 HA2 GLY 9 1HA GLY 9 2.809 -15.238 1.332
39 HA3 GLY 9 2HA GLY 9 1.910 -15.486 2.822
40 H GLU 10 H GLU 10 3.776 -13.076 1.016
41 HA GLU 10 HA GLU 10 3.267 -10.822 2.506
42 HB2 GLU 10 1HB GLU 10 3.710 -9.537 0.551
43 HB3 GLU 10 2HB GLU 10 4.697 -10.988 0.439
44 HG2 GLU 10 1HG GLU 10 2.698 -11.913 -0.944
45 HG3 GLU 10 2HG GLU 10 2.292 -10.209 -1.140
46 H LYS 11 H LYS 11 1.825 -8.941 1.531
47 HA LYS 11 HA LYS 11 -0.917 -9.973 1.585
48 HB2 LYS 11 1HB LYS 11 0.033 -7.126 1.940
49 HB3 LYS 11 2HB LYS 11 -1.586 -7.741 2.248
50 HG2 LYS 11 1HG LYS 11 0.667 -8.986 3.722
51 HG3 LYS 11 2HG LYS 11 0.169 -7.358 4.187
52 HD2 LYS 11 1HD LYS 11 -1.216 -8.577 5.534
53 HD3 LYS 11 2HD LYS 11 -2.236 -8.462 4.098
54 HE2 LYS 11 1HE LYS 11 -0.339 -10.737 4.251
55 HE3 LYS 11 2HE LYS 11 -1.736 -10.774 5.325
56 HZ1 LYS 11 3HZ LYS 11 -3.063 -11.292 3.640
57 HZ2 LYS 11 1HZ LYS 11 -1.681 -11.535 2.694
58 HZ3 LYS 11 2HZ LYS 11 -2.470 -10.039 2.672
59 HA PRO 12 HA PRO 12 -1.737 -8.961 -2.609
60 HB2 PRO 12 1HB PRO 12 -4.359 -8.275 -2.469
61 HB3 PRO 12 2HB PRO 12 -3.793 -9.942 -2.314
62 HG2 PRO 12 1HG PRO 12 -4.560 -7.995 -0.173
63 HG3 PRO 12 2HG PRO 12 -4.952 -9.719 -0.311
64 HD2 PRO 12 1HD PRO 12 -2.975 -8.798 1.294
65 HD3 PRO 12 2HD PRO 12 -2.895 -10.380 0.492
66 H HIS 13 H HIS 13 -1.398 -6.672 -0.297
67 HA HIS 13 HA HIS 13 -1.530 -4.520 -2.253
68 HB2 HIS 13 1HB HIS 13 -2.982 -4.407 0.398
69 HB3 HIS 13 2HB HIS 13 -2.738 -3.030 -0.673
70 HD2 HIS 13 HD2 HIS 13 -5.300 -5.727 -0.052
71 HE1 HIS 13 HE1 HIS 13 -6.050 -4.283 -3.970
72 HE2 HIS 13 HE2 HIS 13 -6.963 -5.603 -2.029
73 H GLU 14 H GLU 14 0.565 -3.967 -2.221
74 HA GLU 14 HA GLU 14 1.876 -3.604 0.386
75 HB2 GLU 14 1HB GLU 14 2.844 -5.176 -1.411
76 HB3 GLU 14 2HB GLU 14 3.292 -3.707 -2.266
77 HG2 GLU 14 1HG GLU 14 4.576 -2.991 -0.278
78 HG3 GLU 14 2HG GLU 14 4.199 -4.537 0.480
79 H CYS 15 H CYS 15 3.016 -1.713 0.841
80 HA CYS 15 HA CYS 15 2.073 0.623 -0.627
81 HB2 CYS 15 1HB CYS 15 2.060 0.321 1.959
82 HB3 CYS 15 2HB CYS 15 3.767 0.735 1.850
83 H ARG 16 H ARG 16 3.308 0.787 -2.449
84 HA ARG 16 HA ARG 16 6.072 0.323 -2.608
85 HB2 ARG 16 1HB ARG 16 4.391 0.509 -4.517
86 HB3 ARG 16 2HB ARG 16 4.555 2.253 -4.356
87 HG2 ARG 16 1HG ARG 16 6.079 1.848 -6.001
88 HG3 ARG 16 2HG ARG 16 7.115 1.707 -4.579
89 HD2 ARG 16 1HD ARG 16 6.693 -0.759 -4.623
90 HD3 ARG 16 2HD ARG 16 5.862 -0.530 -6.162
91 HE ARG 16 HE ARG 16 7.897 -0.308 -7.188
92 HH11 ARG 16 1HH1 ARG 16 8.309 0.017 -3.747
93 HH12 ARG 16 2HH1 ARG 16 10.040 0.011 -3.822
94 HH21 ARG 16 1HH2 ARG 16 10.175 -0.318 -7.300
95 HH22 ARG 16 2HH2 ARG 16 11.100 -0.179 -5.844
96 H GLU 17 H GLU 17 4.426 2.764 -1.030
97 HA GLU 17 HA GLU 17 6.235 4.931 -1.500
98 HB2 GLU 17 1HB GLU 17 4.169 4.480 0.659
99 HB3 GLU 17 2HB GLU 17 5.075 5.972 0.455
100 HG2 GLU 17 1HG GLU 17 3.551 4.901 -1.862
101 HG3 GLU 17 2HG GLU 17 2.672 5.686 -0.551
102 H CYS 18 H CYS 18 5.662 2.808 1.307
103 HA CYS 18 HA CYS 18 8.411 3.402 2.192
104 HB2 CYS 18 1HB CYS 18 7.603 2.840 4.489
105 HB3 CYS 18 2HB CYS 18 6.839 4.268 3.799
106 H GLY 19 H GLY 19 5.921 0.904 1.914
107 HA2 GLY 19 1HA GLY 19 6.961 -1.213 0.942
108 HA3 GLY 19 2HA GLY 19 8.005 -1.137 2.354
109 H LYS 20 H LYS 20 5.246 0.021 3.522
110 HA LYS 20 HA LYS 20 4.619 -2.124 5.135
111 HB2 LYS 20 1HB LYS 20 3.079 0.280 4.236
112 HB3 LYS 20 2HB LYS 20 2.264 -0.957 5.183
113 HG2 LYS 20 1HG LYS 20 4.381 -0.639 6.740
114 HG3 LYS 20 2HG LYS 20 4.389 0.952 5.975
115 HD2 LYS 20 1HD LYS 20 3.044 1.331 7.808
116 HD3 LYS 20 2HD LYS 20 1.846 0.934 6.573
117 HE2 LYS 20 1HE LYS 20 1.255 -0.284 8.522
118 HE3 LYS 20 2HE LYS 20 1.951 -1.442 7.389
119 HZ1 LYS 20 3HZ LYS 20 4.118 -0.981 8.648
120 HZ2 LYS 20 1HZ LYS 20 2.957 -1.961 9.392
121 HZ3 LYS 20 2HZ LYS 20 3.127 -0.346 9.862
122 H SER 21 H SER 21 2.242 -3.072 5.135
123 HA SER 21 HA SER 21 1.310 -3.830 2.500
124 HB2 SER 21 1HB SER 21 2.020 -6.096 4.336
125 HB3 SER 21 2HB SER 21 1.773 -6.114 2.590
126 HG SER 21 HG SER 21 3.755 -5.209 2.296
127 H PHE 22 H PHE 22 -0.810 -4.444 2.484
128 HA PHE 22 HA PHE 22 -2.141 -4.850 5.069
129 HB2 PHE 22 1HB PHE 22 -3.265 -3.078 2.896
130 HB3 PHE 22 2HB PHE 22 -3.916 -3.329 4.512
131 HD1 PHE 22 HD2 PHE 22 -0.870 -2.075 2.778
132 HD2 PHE 22 HD1 PHE 22 -3.408 -1.827 6.186
133 HE1 PHE 22 HE2 PHE 22 0.417 -0.143 3.591
134 HE2 PHE 22 HE1 PHE 22 -2.125 0.106 7.005
135 HZ PHE 22 HZ PHE 22 -0.209 0.950 5.708
136 H SER 23 H SER 23 -3.729 -6.357 5.073
137 HA SER 23 HA SER 23 -3.871 -8.210 2.956
138 HB2 SER 23 1HB SER 23 -5.782 -9.185 4.262
139 HB3 SER 23 2HB SER 23 -4.314 -8.941 5.209
140 HG SER 23 HG SER 23 -6.087 -8.174 6.361
141 H PHE 24 H PHE 24 -5.801 -5.419 3.788
142 HA PHE 24 HA PHE 24 -7.493 -5.938 1.431
143 HB2 PHE 24 1HB PHE 24 -8.144 -4.694 4.088
144 HB3 PHE 24 2HB PHE 24 -9.108 -4.323 2.663
145 HD1 PHE 24 HD2 PHE 24 -7.606 -7.449 4.047
146 HD2 PHE 24 HD1 PHE 24 -11.104 -5.441 2.689
147 HE1 PHE 24 HE2 PHE 24 -8.918 -9.498 4.408
148 HE2 PHE 24 HE1 PHE 24 -12.423 -7.487 3.049
149 HZ PHE 24 HZ PHE 24 -11.330 -9.519 3.909
150 H ASN 25 H ASN 25 -7.961 -4.215 0.051
151 HA ASN 25 HA ASN 25 -5.903 -2.346 -0.343
152 HB2 ASN 25 1HB ASN 25 -7.284 -3.088 -2.193
153 HB3 ASN 25 2HB ASN 25 -8.722 -2.405 -1.439
154 HD21 ASN 25 1HD2 ASN 25 -5.705 -1.683 -3.036
155 HD22 ASN 25 2HD2 ASN 25 -6.097 -0.056 -3.466
156 H SER 26 H SER 26 -9.289 -1.727 0.604
157 HA SER 26 HA SER 26 -9.360 0.892 1.068
158 HB2 SER 26 1HB SER 26 -10.811 0.456 3.068
159 HB3 SER 26 2HB SER 26 -11.252 -0.490 1.646
160 HG SER 26 HG SER 26 -9.598 -1.445 3.745
161 H GLN 27 H GLN 27 -7.625 -1.417 3.078
162 HA GLN 27 HA GLN 27 -6.925 0.395 5.139
163 HB2 GLN 27 1HB GLN 27 -5.478 -2.113 4.271
164 HB3 GLN 27 2HB GLN 27 -5.298 -1.292 5.815
165 HG2 GLN 27 1HG GLN 27 -7.660 -1.770 6.315
166 HG3 GLN 27 2HG GLN 27 -7.780 -2.655 4.795
167 HE21 GLN 27 1HE2 GLN 27 -5.308 -2.548 7.336
168 HE22 GLN 27 2HE2 GLN 27 -5.300 -4.248 7.639
169 H LEU 28 H LEU 28 -4.802 -1.036 2.651
170 HA LEU 28 HA LEU 28 -2.597 0.539 2.991
171 HB2 LEU 28 1HB LEU 28 -2.526 -1.291 1.477
172 HB3 LEU 28 2HB LEU 28 -3.782 -0.583 0.464
173 HG LEU 28 HG LEU 28 -2.232 1.162 -0.252
174 HD11 LEU 28 1HD1 LEU 28 0.143 1.019 0.346
175 HD12 LEU 28 2HD1 LEU 28 -0.228 -0.282 1.476
176 HD13 LEU 28 3HD1 LEU 28 -0.875 1.335 1.751
177 HD21 LEU 28 3HD2 LEU 28 -2.321 -0.786 -1.627
178 HD22 LEU 28 1HD2 LEU 28 -1.247 -1.670 -0.543
179 HD23 LEU 28 2HD2 LEU 28 -0.627 -0.313 -1.483
180 H ILE 29 H ILE 29 -5.621 1.403 1.488
181 HA ILE 29 HA ILE 29 -4.700 3.773 0.205
182 HB ILE 29 HB ILE 29 -7.526 3.230 1.102
183 HG12 ILE 29 1HG1 ILE 29 -6.247 1.397 -0.304
184 HG13 ILE 29 2HG1 ILE 29 -7.904 1.841 -0.700
185 HG21 ILE 29 1HG2 ILE 29 -7.966 4.530 -1.054
186 HG22 ILE 29 2HG2 ILE 29 -7.363 5.434 0.333
187 HG23 ILE 29 3HG2 ILE 29 -6.266 4.992 -0.975
188 HD11 ILE 29 3HD1 ILE 29 -6.622 1.693 -2.714
189 HD12 ILE 29 1HD1 ILE 29 -7.027 3.384 -2.420
190 HD13 ILE 29 2HD1 ILE 29 -5.402 2.792 -2.070
191 H VAL 30 H VAL 30 -6.172 3.081 3.341
192 HA VAL 30 HA VAL 30 -6.436 5.800 4.137
193 HB VAL 30 HB VAL 30 -6.349 3.272 5.788
194 HG11 VAL 30 1HG1 VAL 30 -7.259 4.595 7.613
195 HG12 VAL 30 2HG1 VAL 30 -5.693 5.235 7.111
196 HG13 VAL 30 3HG1 VAL 30 -7.179 6.050 6.621
197 HG21 VAL 30 3HG2 VAL 30 -8.397 4.585 4.205
198 HG22 VAL 30 1HG2 VAL 30 -8.385 2.976 4.927
199 HG23 VAL 30 2HG2 VAL 30 -8.889 4.368 5.885
200 H HIS 31 H HIS 31 -3.831 3.520 4.170
201 HA HIS 31 HA HIS 31 -2.260 4.976 6.108
202 HB2 HIS 31 1HB HIS 31 -1.777 2.702 6.178
203 HB3 HIS 31 2HB HIS 31 -1.827 2.534 4.425
204 HD1 HIS 31 HD1 HIS 31 0.377 4.194 7.045
205 HD2 HIS 31 HD2 HIS 31 0.626 2.439 3.288
206 HE1 HIS 31 HE1 HIS 31 2.828 4.152 6.485
207 H GLN 32 H GLN 32 -2.085 4.359 2.608
208 HA GLN 32 HA GLN 32 0.186 5.793 1.998
209 HB2 GLN 32 1HB GLN 32 -2.345 5.307 0.451
210 HB3 GLN 32 2HB GLN 32 -1.023 6.239 -0.238
211 HG2 GLN 32 1HG GLN 32 0.392 4.145 0.481
212 HG3 GLN 32 2HG GLN 32 -1.175 3.341 0.397
213 HE21 GLN 32 1HE2 GLN 32 -0.430 2.084 -1.340
214 HE22 GLN 32 2HE2 GLN 32 -0.297 2.738 -2.933
215 H ARG 33 H ARG 33 -2.903 6.967 2.988
216 HA ARG 33 HA ARG 33 -2.794 9.572 1.932
217 HB2 ARG 33 1HB ARG 33 -4.070 8.916 4.574
218 HB3 ARG 33 2HB ARG 33 -4.582 10.089 3.368
219 HG2 ARG 33 1HG ARG 33 -4.846 7.910 1.890
220 HG3 ARG 33 2HG ARG 33 -5.023 7.160 3.478
221 HD2 ARG 33 1HD ARG 33 -7.207 7.718 2.821
222 HD3 ARG 33 2HD ARG 33 -6.738 8.974 3.967
223 HE ARG 33 HE ARG 33 -6.072 10.054 1.587
224 HH11 ARG 33 1HH1 ARG 33 -8.983 8.570 2.787
225 HH12 ARG 33 2HH1 ARG 33 -10.034 9.519 1.789
226 HH21 ARG 33 1HH2 ARG 33 -7.445 11.311 0.268
227 HH22 ARG 33 2HH2 ARG 33 -9.159 11.078 0.357
228 H ILE 34 H ILE 34 -0.770 8.115 4.125
229 HA ILE 34 HA ILE 34 -0.257 10.476 5.738
230 HB ILE 34 HB ILE 34 1.197 9.167 7.034
231 HG12 ILE 34 1HG1 ILE 34 1.221 7.117 4.808
232 HG13 ILE 34 2HG1 ILE 34 2.518 8.256 5.151
233 HG21 ILE 34 1HG2 ILE 34 -1.294 7.886 6.148
234 HG22 ILE 34 2HG2 ILE 34 -0.161 6.827 6.987
235 HG23 ILE 34 3HG2 ILE 34 -0.741 8.296 7.772
236 HD11 ILE 34 3HD1 ILE 34 3.202 6.242 6.109
237 HD12 ILE 34 1HD1 ILE 34 2.606 7.202 7.463
238 HD13 ILE 34 2HD1 ILE 34 1.605 5.918 6.784
239 H HIS 35 H HIS 35 1.077 8.818 2.981
240 HA HIS 35 HA HIS 35 3.597 10.193 3.028
241 HB2 HIS 35 1HB HIS 35 2.243 8.591 0.850
242 HB3 HIS 35 2HB HIS 35 3.892 9.204 0.763
243 HD1 HIS 35 HD1 HIS 35 5.379 8.334 3.001
244 HD2 HIS 35 HD2 HIS 35 2.178 6.033 1.690
245 HE1 HIS 35 HE1 HIS 35 5.776 6.034 3.938
246 H THR 36 H THR 36 0.911 10.276 0.678
247 HA THR 36 HA THR 36 1.710 12.495 -0.752
248 HB THR 36 HB THR 36 -0.125 11.172 -1.554
249 HG1 THR 36 HG1 THR 36 -1.689 12.909 -1.895
250 HG21 THR 36 3HG2 THR 36 -1.808 12.203 0.725
251 HG22 THR 36 1HG2 THR 36 -1.011 10.630 0.745
252 HG23 THR 36 2HG2 THR 36 -2.239 10.982 -0.471
253 H GLY 37 H GLY 37 -0.171 12.364 2.244
254 HA2 GLY 37 1HA GLY 37 -0.992 14.985 2.470
255 HA3 GLY 37 2HA GLY 37 -0.551 13.975 3.839
256 H GLU 38 H GLU 38 2.041 13.677 3.824
257 HA GLU 38 HA GLU 38 3.196 16.372 3.548
258 HB2 GLU 38 1HB GLU 38 2.595 15.686 5.931
259 HB3 GLU 38 2HB GLU 38 3.874 14.487 5.800
260 HG2 GLU 38 1HG GLU 38 5.401 16.435 5.187
261 HG3 GLU 38 2HG GLU 38 4.105 17.473 5.778
262 H ASN 39 H ASN 39 5.295 16.498 2.850
263 HA ASN 39 HA ASN 39 6.501 13.959 1.976
264 HB2 ASN 39 1HB ASN 39 5.797 15.714 0.242
265 HB3 ASN 39 2HB ASN 39 7.149 16.674 0.837
266 HD21 ASN 39 1HD2 ASN 39 9.270 15.509 0.889
267 HD22 ASN 39 2HD2 ASN 39 9.634 14.481 -0.451
268 HA PRO 40 HA PRO 40 9.310 15.551 5.274
269 HB2 PRO 40 1HB PRO 40 9.885 13.093 6.270
270 HB3 PRO 40 2HB PRO 40 8.467 14.023 6.767
271 HG2 PRO 40 1HG PRO 40 8.666 11.784 4.790
272 HG3 PRO 40 2HG PRO 40 7.436 12.072 6.034
273 HD2 PRO 40 1HD PRO 40 7.041 12.682 3.425
274 HD3 PRO 40 2HD PRO 40 6.316 13.621 4.746
275 H SER 41 H SER 41 11.560 14.405 5.860
276 HA SER 41 HA SER 41 12.982 14.263 3.328
277 HB2 SER 41 1HB SER 41 13.846 15.712 5.128
278 HB3 SER 41 2HB SER 41 14.046 14.299 6.164
279 HG SER 41 HG SER 41 16.005 14.732 5.194
280 H GLY 42 H GLY 42 11.273 12.030 4.264
281 HA2 GLY 42 1HA GLY 42 13.264 9.930 4.758
282 HA3 GLY 42 2HA GLY 42 11.523 9.761 4.934
283 HA PRO 43 HA PRO 43 11.164 7.980 0.951
284 HB2 PRO 43 1HB PRO 43 8.928 9.138 -0.064
285 HB3 PRO 43 2HB PRO 43 8.885 7.951 1.245
286 HG2 PRO 43 1HG PRO 43 8.734 10.937 1.390
287 HG3 PRO 43 2HG PRO 43 7.786 9.725 2.270
288 HD2 PRO 43 1HD PRO 43 9.886 11.021 3.384
289 HD3 PRO 43 2HD PRO 43 9.458 9.351 3.811
290 H SER 44 H SER 44 11.313 8.323 -1.339
291 HA SER 44 HA SER 44 13.156 10.032 -2.263
292 HB2 SER 44 1HB SER 44 11.948 8.237 -3.581
293 HB3 SER 44 2HB SER 44 10.683 9.425 -3.892
294 HG SER 44 HG SER 44 13.283 9.285 -4.879
295 H SER 45 H SER 45 13.277 12.086 -3.176
296 HA SER 45 HA SER 45 11.352 13.976 -2.121
297 HB2 SER 45 1HB SER 45 12.935 15.672 -2.673
298 HB3 SER 45 2HB SER 45 13.871 14.309 -2.058
299 HG SER 45 HG SER 45 14.853 14.251 -3.903
300 H GLY 46 H GLY 46 10.626 15.810 -3.538
301 HA2 GLY 46 1HA GLY 46 10.516 16.062 -6.191
302 HA3 GLY 46 2HA GLY 46 9.453 14.683 -5.952
Start of MODEL 15
1 H1 GLY 1 H GLY 1 27.214 -14.055 0.710
2 HA2 GLY 1 1HA GLY 1 26.213 -13.040 2.537
3 HA3 GLY 1 2HA GLY 1 25.300 -12.024 1.431
4 H SER 2 H SER 2 23.700 -13.484 0.042
5 HA SER 2 HA SER 2 21.578 -14.355 0.259
6 HB2 SER 2 1HB SER 2 21.646 -16.781 0.801
7 HB3 SER 2 2HB SER 2 22.900 -16.307 -0.344
8 HG SER 2 HG SER 2 24.095 -17.362 1.061
9 H SER 3 H SER 3 22.067 -12.646 2.389
10 HA SER 3 HA SER 3 20.187 -13.634 4.306
11 HB2 SER 3 1HB SER 3 21.589 -13.602 6.270
12 HB3 SER 3 2HB SER 3 22.324 -14.686 5.089
13 HG SER 3 HG SER 3 24.028 -13.496 5.393
14 H GLY 4 H GLY 4 19.586 -12.000 5.895
15 HA2 GLY 4 1HA GLY 4 20.126 -9.651 6.638
16 HA3 GLY 4 2HA GLY 4 20.230 -9.285 4.922
17 H SER 5 H SER 5 18.024 -10.727 3.994
18 HA SER 5 HA SER 5 15.806 -9.291 5.302
19 HB2 SER 5 1HB SER 5 14.758 -9.058 3.113
20 HB3 SER 5 2HB SER 5 16.386 -8.382 3.067
21 HG SER 5 HG SER 5 16.001 -11.065 2.350
22 H SER 6 H SER 6 13.765 -10.313 5.354
23 HA SER 6 HA SER 6 13.458 -13.019 4.424
24 HB2 SER 6 1HB SER 6 13.789 -12.424 7.363
25 HB3 SER 6 2HB SER 6 12.934 -13.855 6.788
26 HG SER 6 HG SER 6 15.030 -14.060 5.461
27 H GLY 7 H GLY 7 11.466 -12.993 3.633
28 HA2 GLY 7 1HA GLY 7 9.177 -12.768 3.540
29 HA3 GLY 7 2HA GLY 7 9.203 -12.398 5.258
30 H THR 8 H THR 8 8.187 -11.210 2.457
31 HA THR 8 HA THR 8 7.982 -8.535 3.454
32 HB THR 8 HB THR 8 10.305 -8.637 2.389
33 HG1 THR 8 HG1 THR 8 8.532 -6.753 2.494
34 HG21 THR 8 3HG2 THR 8 8.839 -8.379 -0.213
35 HG22 THR 8 1HG2 THR 8 9.324 -9.964 0.388
36 HG23 THR 8 2HG2 THR 8 10.543 -8.729 0.075
37 H GLY 9 H GLY 9 6.285 -7.451 2.548
38 HA2 GLY 9 1HA GLY 9 4.360 -7.144 1.336
39 HA3 GLY 9 2HA GLY 9 5.235 -7.850 -0.015
40 H GLU 10 H GLU 10 4.049 -9.144 3.088
41 HA GLU 10 HA GLU 10 3.117 -11.530 1.733
42 HB2 GLU 10 1HB GLU 10 3.501 -10.693 4.565
43 HB3 GLU 10 2HB GLU 10 2.320 -11.954 4.240
44 HG2 GLU 10 1HG GLU 10 4.232 -13.056 2.888
45 HG3 GLU 10 2HG GLU 10 5.275 -11.982 3.818
46 H LYS 11 H LYS 11 1.763 -9.203 0.935
47 HA LYS 11 HA LYS 11 -0.953 -9.975 1.603
48 HB2 LYS 11 1HB LYS 11 -0.030 -7.120 1.976
49 HB3 LYS 11 2HB LYS 11 -1.669 -7.720 2.188
50 HG2 LYS 11 1HG LYS 11 0.654 -8.704 3.820
51 HG3 LYS 11 2HG LYS 11 -0.349 -7.332 4.294
52 HD2 LYS 11 1HD LYS 11 -2.324 -8.753 4.299
53 HD3 LYS 11 2HD LYS 11 -1.356 -10.127 3.758
54 HE2 LYS 11 1HE LYS 11 -0.875 -8.629 6.329
55 HE3 LYS 11 2HE LYS 11 -1.849 -10.094 6.211
56 HZ1 LYS 11 3HZ LYS 11 0.271 -11.041 5.097
57 HZ2 LYS 11 1HZ LYS 11 0.199 -10.920 6.783
58 HZ3 LYS 11 2HZ LYS 11 1.055 -9.768 5.888
59 HA PRO 12 HA PRO 12 -1.662 -9.024 -2.625
60 HB2 PRO 12 1HB PRO 12 -4.295 -8.362 -2.571
61 HB3 PRO 12 2HB PRO 12 -3.717 -10.022 -2.377
62 HG2 PRO 12 1HG PRO 12 -4.566 -8.054 -0.286
63 HG3 PRO 12 2HG PRO 12 -4.937 -9.784 -0.411
64 HD2 PRO 12 1HD PRO 12 -3.018 -8.821 1.238
65 HD3 PRO 12 2HD PRO 12 -2.898 -10.412 0.461
66 H HIS 13 H HIS 13 -1.406 -6.702 -0.339
67 HA HIS 13 HA HIS 13 -1.523 -4.576 -2.328
68 HB2 HIS 13 1HB HIS 13 -3.013 -4.452 0.302
69 HB3 HIS 13 2HB HIS 13 -2.756 -3.077 -0.769
70 HD2 HIS 13 HD2 HIS 13 -5.324 -5.771 -0.179
71 HE1 HIS 13 HE1 HIS 13 -6.004 -4.359 -4.121
72 HE2 HIS 13 HE2 HIS 13 -6.951 -5.664 -2.186
73 H GLU 14 H GLU 14 0.567 -4.005 -2.279
74 HA GLU 14 HA GLU 14 1.846 -3.601 0.338
75 HB2 GLU 14 1HB GLU 14 2.818 -5.165 -1.511
76 HB3 GLU 14 2HB GLU 14 3.346 -3.664 -2.257
77 HG2 GLU 14 1HG GLU 14 4.613 -3.094 -0.267
78 HG3 GLU 14 2HG GLU 14 4.050 -4.563 0.528
79 H CYS 15 H CYS 15 2.935 -1.690 0.799
80 HA CYS 15 HA CYS 15 1.980 0.623 -0.685
81 HB2 CYS 15 1HB CYS 15 1.996 0.357 1.893
82 HB3 CYS 15 2HB CYS 15 3.711 0.740 1.771
83 H ARG 16 H ARG 16 3.191 0.714 -2.545
84 HA ARG 16 HA ARG 16 5.933 0.275 -2.779
85 HB2 ARG 16 1HB ARG 16 4.154 2.104 -4.401
86 HB3 ARG 16 2HB ARG 16 5.775 1.607 -4.868
87 HG2 ARG 16 1HG ARG 16 4.572 0.089 -6.047
88 HG3 ARG 16 2HG ARG 16 4.739 -0.803 -4.533
89 HD2 ARG 16 1HD ARG 16 2.550 -0.440 -3.921
90 HD3 ARG 16 2HD ARG 16 2.413 1.027 -4.889
91 HE ARG 16 HE ARG 16 1.848 -0.256 -6.720
92 HH11 ARG 16 1HH1 ARG 16 2.933 -2.297 -4.116
93 HH12 ARG 16 2HH1 ARG 16 2.405 -3.764 -4.873
94 HH21 ARG 16 1HH2 ARG 16 1.149 -2.181 -7.726
95 HH22 ARG 16 2HH2 ARG 16 1.392 -3.697 -6.926
96 H GLU 17 H GLU 17 4.324 2.761 -1.177
97 HA GLU 17 HA GLU 17 6.185 4.880 -1.618
98 HB2 GLU 17 1HB GLU 17 4.228 4.492 0.653
99 HB3 GLU 17 2HB GLU 17 5.051 5.991 0.246
100 HG2 GLU 17 1HG GLU 17 3.898 5.554 -2.096
101 HG3 GLU 17 2HG GLU 17 2.768 4.654 -1.086
102 H CYS 18 H CYS 18 5.609 2.712 1.153
103 HA CYS 18 HA CYS 18 8.372 3.252 2.025
104 HB2 CYS 18 1HB CYS 18 7.563 2.624 4.317
105 HB3 CYS 18 2HB CYS 18 6.854 4.102 3.676
106 H GLY 19 H GLY 19 5.842 0.789 1.751
107 HA2 GLY 19 1HA GLY 19 6.833 -1.321 0.713
108 HA3 GLY 19 2HA GLY 19 7.911 -1.284 2.101
109 H LYS 20 H LYS 20 5.203 -0.116 3.365
110 HA LYS 20 HA LYS 20 4.585 -2.267 4.961
111 HB2 LYS 20 1HB LYS 20 3.025 0.137 4.093
112 HB3 LYS 20 2HB LYS 20 2.236 -1.102 5.060
113 HG2 LYS 20 1HG LYS 20 4.372 -0.780 6.577
114 HG3 LYS 20 2HG LYS 20 4.386 0.805 5.799
115 HD2 LYS 20 1HD LYS 20 3.053 1.256 7.607
116 HD3 LYS 20 2HD LYS 20 1.827 0.762 6.437
117 HE2 LYS 20 1HE LYS 20 1.211 -0.499 8.250
118 HE3 LYS 20 2HE LYS 20 2.296 -1.622 7.431
119 HZ1 LYS 20 3HZ LYS 20 3.496 0.185 9.378
120 HZ2 LYS 20 1HZ LYS 20 3.854 -1.433 9.038
121 HZ3 LYS 20 2HZ LYS 20 2.513 -1.046 9.994
122 H SER 21 H SER 21 2.204 -3.210 4.992
123 HA SER 21 HA SER 21 1.239 -3.961 2.366
124 HB2 SER 21 1HB SER 21 1.955 -6.229 4.196
125 HB3 SER 21 2HB SER 21 1.693 -6.247 2.453
126 HG SER 21 HG SER 21 3.671 -4.817 2.466
127 H PHE 22 H PHE 22 -0.889 -4.510 2.371
128 HA PHE 22 HA PHE 22 -2.196 -4.929 4.968
129 HB2 PHE 22 1HB PHE 22 -3.299 -3.127 2.805
130 HB3 PHE 22 2HB PHE 22 -3.978 -3.400 4.407
131 HD1 PHE 22 HD2 PHE 22 -0.975 -2.059 2.681
132 HD2 PHE 22 HD1 PHE 22 -3.406 -2.011 6.174
133 HE1 PHE 22 HE2 PHE 22 0.313 -0.150 3.547
134 HE2 PHE 22 HE1 PHE 22 -2.122 -0.101 7.045
135 HZ PHE 22 HZ PHE 22 -0.259 0.831 5.732
136 H SER 23 H SER 23 -3.799 -6.420 4.984
137 HA SER 23 HA SER 23 -3.976 -8.276 2.878
138 HB2 SER 23 1HB SER 23 -5.973 -7.900 5.119
139 HB3 SER 23 2HB SER 23 -5.684 -9.370 4.189
140 HG SER 23 HG SER 23 -4.626 -9.416 6.218
141 H PHE 24 H PHE 24 -5.822 -5.425 3.653
142 HA PHE 24 HA PHE 24 -7.517 -5.931 1.296
143 HB2 PHE 24 1HB PHE 24 -8.196 -4.761 3.973
144 HB3 PHE 24 2HB PHE 24 -9.118 -4.289 2.550
145 HD1 PHE 24 HD2 PHE 24 -8.080 -7.208 4.578
146 HD2 PHE 24 HD1 PHE 24 -10.812 -5.659 1.705
147 HE1 PHE 24 HE2 PHE 24 -9.464 -9.228 4.810
148 HE2 PHE 24 HE1 PHE 24 -12.202 -7.677 1.934
149 HZ PHE 24 HZ PHE 24 -11.528 -9.465 3.487
150 H ASN 25 H ASN 25 -7.789 -4.289 -0.163
151 HA ASN 25 HA ASN 25 -5.772 -2.389 -0.451
152 HB2 ASN 25 1HB ASN 25 -7.590 -3.335 -2.131
153 HB3 ASN 25 2HB ASN 25 -8.448 -1.868 -1.670
154 HD21 ASN 25 1HD2 ASN 25 -6.528 -0.024 -1.431
155 HD22 ASN 25 2HD2 ASN 25 -5.705 0.209 -2.932
156 H SER 26 H SER 26 -9.186 -1.797 0.408
157 HA SER 26 HA SER 26 -9.295 0.827 0.850
158 HB2 SER 26 1HB SER 26 -10.800 0.397 2.800
159 HB3 SER 26 2HB SER 26 -11.178 -0.595 1.392
160 HG SER 26 HG SER 26 -9.830 -2.241 2.446
161 H GLN 27 H GLN 27 -7.679 -1.461 3.004
162 HA GLN 27 HA GLN 27 -7.018 0.371 5.037
163 HB2 GLN 27 1HB GLN 27 -5.495 -2.111 4.229
164 HB3 GLN 27 2HB GLN 27 -5.412 -1.293 5.784
165 HG2 GLN 27 1HG GLN 27 -7.894 -1.780 6.001
166 HG3 GLN 27 2HG GLN 27 -7.687 -2.867 4.629
167 HE21 GLN 27 1HE2 GLN 27 -5.931 -2.136 7.630
168 HE22 GLN 27 2HE2 GLN 27 -5.742 -3.782 8.119
169 H LEU 28 H LEU 28 -4.808 -1.043 2.617
170 HA LEU 28 HA LEU 28 -2.617 0.517 3.000
171 HB2 LEU 28 1HB LEU 28 -2.620 -1.291 1.417
172 HB3 LEU 28 2HB LEU 28 -3.771 -0.442 0.387
173 HG LEU 28 HG LEU 28 -2.054 1.251 -0.104
174 HD11 LEU 28 1HD1 LEU 28 -0.254 -0.537 1.525
175 HD12 LEU 28 2HD1 LEU 28 -0.759 1.099 1.944
176 HD13 LEU 28 3HD1 LEU 28 0.273 0.828 0.540
177 HD21 LEU 28 3HD2 LEU 28 -0.643 -1.265 -0.722
178 HD22 LEU 28 1HD2 LEU 28 -1.187 0.028 -1.791
179 HD23 LEU 28 2HD2 LEU 28 -2.335 -1.181 -1.216
180 H ILE 29 H ILE 29 -5.611 1.446 1.464
181 HA ILE 29 HA ILE 29 -4.671 3.847 0.272
182 HB ILE 29 HB ILE 29 -7.499 3.299 1.162
183 HG12 ILE 29 1HG1 ILE 29 -6.243 1.517 -0.322
184 HG13 ILE 29 2HG1 ILE 29 -7.894 1.994 -0.699
185 HG21 ILE 29 1HG2 ILE 29 -6.240 5.133 -0.853
186 HG22 ILE 29 2HG2 ILE 29 -7.946 4.694 -0.927
187 HG23 ILE 29 3HG2 ILE 29 -7.313 5.537 0.487
188 HD11 ILE 29 3HD1 ILE 29 -5.380 2.971 -2.027
189 HD12 ILE 29 1HD1 ILE 29 -6.615 1.919 -2.718
190 HD13 ILE 29 2HD1 ILE 29 -6.995 3.602 -2.351
191 H VAL 30 H VAL 30 -6.192 3.103 3.379
192 HA VAL 30 HA VAL 30 -6.401 5.795 4.254
193 HB VAL 30 HB VAL 30 -6.334 3.230 5.848
194 HG11 VAL 30 1HG1 VAL 30 -5.757 4.899 7.388
195 HG12 VAL 30 2HG1 VAL 30 -6.856 6.073 6.662
196 HG13 VAL 30 3HG1 VAL 30 -7.499 4.708 7.577
197 HG21 VAL 30 3HG2 VAL 30 -8.870 4.477 5.866
198 HG22 VAL 30 1HG2 VAL 30 -8.322 4.428 4.191
199 HG23 VAL 30 2HG2 VAL 30 -8.417 2.939 5.132
200 H HIS 31 H HIS 31 -3.826 3.481 4.224
201 HA HIS 31 HA HIS 31 -2.235 4.865 6.199
202 HB2 HIS 31 1HB HIS 31 -1.778 2.585 6.211
203 HB3 HIS 31 2HB HIS 31 -1.838 2.461 4.455
204 HD1 HIS 31 HD1 HIS 31 0.407 3.923 7.148
205 HD2 HIS 31 HD2 HIS 31 0.601 2.466 3.262
206 HE1 HIS 31 HE1 HIS 31 2.853 3.887 6.565
207 H GLN 32 H GLN 32 -2.089 4.352 2.683
208 HA GLN 32 HA GLN 32 0.208 5.760 2.102
209 HB2 GLN 32 1HB GLN 32 -2.343 5.380 0.556
210 HB3 GLN 32 2HB GLN 32 -0.998 6.294 -0.112
211 HG2 GLN 32 1HG GLN 32 0.350 4.129 0.561
212 HG3 GLN 32 2HG GLN 32 -1.243 3.386 0.419
213 HE21 GLN 32 1HE2 GLN 32 -0.445 2.172 -1.348
214 HE22 GLN 32 2HE2 GLN 32 -0.287 2.883 -2.914
215 H ARG 33 H ARG 33 -2.864 6.962 3.127
216 HA ARG 33 HA ARG 33 -2.713 9.594 2.158
217 HB2 ARG 33 1HB ARG 33 -3.964 8.937 4.805
218 HB3 ARG 33 2HB ARG 33 -4.497 10.084 3.584
219 HG2 ARG 33 1HG ARG 33 -4.862 7.978 2.120
220 HG3 ARG 33 2HG ARG 33 -4.827 7.118 3.661
221 HD2 ARG 33 1HD ARG 33 -6.782 8.052 4.385
222 HD3 ARG 33 2HD ARG 33 -6.544 9.532 3.456
223 HE ARG 33 HE ARG 33 -6.970 7.754 1.513
224 HH11 ARG 33 1HH1 ARG 33 -8.658 8.323 4.504
225 HH12 ARG 33 2HH1 ARG 33 -10.193 7.806 3.887
226 HH21 ARG 33 1HH2 ARG 33 -8.984 7.070 0.690
227 HH22 ARG 33 2HH2 ARG 33 -10.377 7.093 1.718
228 H ILE 34 H ILE 34 -0.709 8.032 4.312
229 HA ILE 34 HA ILE 34 -0.127 10.343 5.970
230 HB ILE 34 HB ILE 34 1.300 8.973 7.227
231 HG12 ILE 34 1HG1 ILE 34 1.280 6.988 4.942
232 HG13 ILE 34 2HG1 ILE 34 2.604 8.082 5.329
233 HG21 ILE 34 1HG2 ILE 34 -1.216 7.756 6.315
234 HG22 ILE 34 2HG2 ILE 34 -0.101 6.662 7.133
235 HG23 ILE 34 3HG2 ILE 34 -0.657 8.125 7.946
236 HD11 ILE 34 3HD1 ILE 34 3.241 6.031 6.228
237 HD12 ILE 34 1HD1 ILE 34 2.640 6.947 7.610
238 HD13 ILE 34 2HD1 ILE 34 1.629 5.707 6.867
239 H HIS 35 H HIS 35 1.180 8.687 3.189
240 HA HIS 35 HA HIS 35 3.720 10.012 3.243
241 HB2 HIS 35 1HB HIS 35 2.307 8.472 1.058
242 HB3 HIS 35 2HB HIS 35 3.956 9.079 0.934
243 HD1 HIS 35 HD1 HIS 35 5.517 8.160 3.089
244 HD2 HIS 35 HD2 HIS 35 2.238 5.910 1.886
245 HE1 HIS 35 HE1 HIS 35 5.924 5.845 3.985
246 H THR 36 H THR 36 0.922 10.266 1.042
247 HA THR 36 HA THR 36 1.873 12.617 -0.231
248 HB THR 36 HB THR 36 0.297 11.162 -1.373
249 HG1 THR 36 HG1 THR 36 -0.936 12.792 -2.213
250 HG21 THR 36 3HG2 THR 36 -1.894 12.074 0.461
251 HG22 THR 36 1HG2 THR 36 -0.943 10.638 0.835
252 HG23 THR 36 2HG2 THR 36 -1.877 10.713 -0.659
253 H GLY 37 H GLY 37 -0.373 12.028 2.433
254 HA2 GLY 37 1HA GLY 37 -1.414 14.605 2.708
255 HA3 GLY 37 2HA GLY 37 -1.252 13.440 4.014
256 H GLU 38 H GLU 38 1.399 13.173 4.363
257 HA GLU 38 HA GLU 38 2.127 15.320 5.925
258 HB2 GLU 38 1HB GLU 38 3.165 12.922 5.649
259 HB3 GLU 38 2HB GLU 38 4.257 13.739 4.540
260 HG2 GLU 38 1HG GLU 38 4.634 15.392 6.480
261 HG3 GLU 38 2HG GLU 38 3.927 14.128 7.485
262 H ASN 39 H ASN 39 3.434 17.119 5.673
263 HA ASN 39 HA ASN 39 3.360 18.367 3.115
264 HB2 ASN 39 1HB ASN 39 4.310 20.271 4.183
265 HB3 ASN 39 2HB ASN 39 3.229 19.535 5.363
266 HD21 ASN 39 1HD2 ASN 39 5.676 21.253 5.577
267 HD22 ASN 39 2HD2 ASN 39 6.703 20.407 6.679
268 HA PRO 40 HA PRO 40 7.176 17.017 1.393
269 HB2 PRO 40 1HB PRO 40 7.674 19.099 -0.276
270 HB3 PRO 40 2HB PRO 40 6.421 17.893 -0.593
271 HG2 PRO 40 1HG PRO 40 6.157 20.639 0.569
272 HG3 PRO 40 2HG PRO 40 5.138 19.832 -0.637
273 HD2 PRO 40 1HD PRO 40 4.441 20.013 1.973
274 HD3 PRO 40 2HD PRO 40 3.986 18.630 0.957
275 H SER 41 H SER 41 9.441 17.822 0.975
276 HA SER 41 HA SER 41 10.310 19.399 3.284
277 HB2 SER 41 1HB SER 41 12.541 18.441 2.843
278 HB3 SER 41 2HB SER 41 11.321 17.181 3.029
279 HG SER 41 HG SER 41 11.212 17.144 0.696
280 H GLY 42 H GLY 42 9.164 20.873 1.224
281 HA2 GLY 42 1HA GLY 42 10.369 23.093 0.806
282 HA3 GLY 42 2HA GLY 42 11.478 22.101 -0.129
283 HA PRO 43 HA PRO 43 7.228 22.089 -2.469
284 HB2 PRO 43 1HB PRO 43 5.435 23.963 -1.668
285 HB3 PRO 43 2HB PRO 43 5.481 22.328 -0.997
286 HG2 PRO 43 1HG PRO 43 6.601 24.868 0.124
287 HG3 PRO 43 2HG PRO 43 5.717 23.574 0.953
288 HD2 PRO 43 1HD PRO 43 8.413 23.798 1.062
289 HD3 PRO 43 2HD PRO 43 7.583 22.230 1.112
290 H SER 44 H SER 44 6.216 23.675 -4.029
291 HA SER 44 HA SER 44 8.174 25.775 -4.627
292 HB2 SER 44 1HB SER 44 7.760 24.059 -6.368
293 HB3 SER 44 2HB SER 44 6.068 24.551 -6.427
294 HG SER 44 HG SER 44 6.747 26.599 -7.124
295 H SER 45 H SER 45 6.365 26.353 -2.598
296 HA SER 45 HA SER 45 5.190 28.757 -3.607
297 HB2 SER 45 1HB SER 45 2.861 28.246 -2.962
298 HB3 SER 45 2HB SER 45 3.422 27.195 -4.262
299 HG SER 45 HG SER 45 3.830 26.263 -1.686
300 H GLY 46 H GLY 46 5.227 30.259 -2.051
301 HA2 GLY 46 1HA GLY 46 6.468 30.111 0.318
302 HA3 GLY 46 2HA GLY 46 5.093 31.179 0.078
Start of MODEL 16
1 H1 GLY 1 H GLY 1 17.708 -4.376 16.889
2 HA2 GLY 1 1HA GLY 1 19.114 -6.029 15.263
3 HA3 GLY 1 2HA GLY 1 19.021 -6.943 16.761
4 H SER 2 H SER 2 17.799 -7.204 13.969
5 HA SER 2 HA SER 2 15.032 -7.621 14.892
6 HB2 SER 2 1HB SER 2 15.426 -5.744 13.165
7 HB3 SER 2 2HB SER 2 15.731 -7.048 12.018
8 HG SER 2 HG SER 2 13.539 -7.747 13.184
9 H SER 3 H SER 3 15.428 -9.774 15.434
10 HA SER 3 HA SER 3 15.729 -11.560 13.119
11 HB2 SER 3 1HB SER 3 17.234 -12.992 14.251
12 HB3 SER 3 2HB SER 3 17.842 -11.366 14.561
13 HG SER 3 HG SER 3 17.807 -12.470 16.495
14 H GLY 4 H GLY 4 14.809 -13.701 13.436
15 HA2 GLY 4 1HA GLY 4 13.429 -14.721 15.531
16 HA3 GLY 4 2HA GLY 4 12.308 -13.538 14.873
17 H SER 5 H SER 5 10.908 -15.386 14.501
18 HA SER 5 HA SER 5 11.718 -17.044 12.213
19 HB2 SER 5 1HB SER 5 10.854 -18.035 14.465
20 HB3 SER 5 2HB SER 5 9.264 -17.560 13.867
21 HG SER 5 HG SER 5 10.230 -18.754 11.854
22 H SER 6 H SER 6 10.754 -16.825 10.293
23 HA SER 6 HA SER 6 8.416 -15.038 10.131
24 HB2 SER 6 1HB SER 6 10.748 -14.476 9.011
25 HB3 SER 6 2HB SER 6 10.153 -15.560 7.754
26 HG SER 6 HG SER 6 9.399 -13.010 8.353
27 H GLY 7 H GLY 7 6.581 -15.807 9.287
28 HA2 GLY 7 1HA GLY 7 6.632 -18.080 7.467
29 HA3 GLY 7 2HA GLY 7 5.841 -18.353 9.013
30 H THR 8 H THR 8 5.871 -15.720 6.605
31 HA THR 8 HA THR 8 3.042 -16.072 6.115
32 HB THR 8 HB THR 8 4.028 -13.475 7.312
33 HG1 THR 8 HG1 THR 8 2.726 -15.716 8.375
34 HG21 THR 8 3HG2 THR 8 1.937 -12.578 6.954
35 HG22 THR 8 1HG2 THR 8 1.153 -14.156 6.882
36 HG23 THR 8 2HG2 THR 8 2.110 -13.583 5.516
37 H GLY 9 H GLY 9 2.671 -15.692 4.029
38 HA2 GLY 9 1HA GLY 9 4.672 -14.796 2.267
39 HA3 GLY 9 2HA GLY 9 2.971 -14.986 1.866
40 H GLU 10 H GLU 10 3.121 -13.112 0.540
41 HA GLU 10 HA GLU 10 3.410 -10.581 2.010
42 HB2 GLU 10 1HB GLU 10 3.793 -9.521 -0.143
43 HB3 GLU 10 2HB GLU 10 4.897 -10.873 0.066
44 HG2 GLU 10 1HG GLU 10 2.318 -11.193 -1.419
45 HG3 GLU 10 2HG GLU 10 3.762 -10.560 -2.208
46 H LYS 11 H LYS 11 1.811 -9.041 1.975
47 HA LYS 11 HA LYS 11 -0.856 -9.962 1.641
48 HB2 LYS 11 1HB LYS 11 0.017 -7.087 1.929
49 HB3 LYS 11 2HB LYS 11 -1.533 -7.789 2.375
50 HG2 LYS 11 1HG LYS 11 1.085 -8.499 3.680
51 HG3 LYS 11 2HG LYS 11 -0.050 -7.296 4.299
52 HD2 LYS 11 1HD LYS 11 -1.747 -8.969 4.600
53 HD3 LYS 11 2HD LYS 11 -0.753 -10.186 3.795
54 HE2 LYS 11 1HE LYS 11 -0.629 -10.533 6.168
55 HE3 LYS 11 2HE LYS 11 0.928 -9.933 5.601
56 HZ1 LYS 11 3HZ LYS 11 -0.683 -8.866 7.600
57 HZ2 LYS 11 1HZ LYS 11 -0.700 -7.755 6.324
58 HZ3 LYS 11 2HZ LYS 11 0.771 -8.243 7.000
59 HA PRO 12 HA PRO 12 -1.714 -8.966 -2.549
60 HB2 PRO 12 1HB PRO 12 -4.338 -8.288 -2.387
61 HB3 PRO 12 2HB PRO 12 -3.765 -9.953 -2.233
62 HG2 PRO 12 1HG PRO 12 -4.520 -8.004 -0.090
63 HG3 PRO 12 2HG PRO 12 -4.907 -9.730 -0.220
64 HD2 PRO 12 1HD PRO 12 -2.919 -8.797 1.365
65 HD3 PRO 12 2HD PRO 12 -2.840 -10.380 0.566
66 H HIS 13 H HIS 13 -1.379 -6.668 -0.239
67 HA HIS 13 HA HIS 13 -1.509 -4.523 -2.200
68 HB2 HIS 13 1HB HIS 13 -2.989 -4.397 0.435
69 HB3 HIS 13 2HB HIS 13 -2.753 -3.034 -0.655
70 HD2 HIS 13 HD2 HIS 13 -5.279 -5.767 -0.018
71 HE1 HIS 13 HE1 HIS 13 -6.033 -4.363 -3.950
72 HE2 HIS 13 HE2 HIS 13 -6.935 -5.683 -2.004
73 H GLU 14 H GLU 14 0.582 -3.957 -2.143
74 HA GLU 14 HA GLU 14 1.835 -3.532 0.487
75 HB2 GLU 14 1HB GLU 14 2.781 -5.152 -1.383
76 HB3 GLU 14 2HB GLU 14 3.444 -3.654 -2.022
77 HG2 GLU 14 1HG GLU 14 4.737 -3.281 -0.092
78 HG3 GLU 14 2HG GLU 14 3.865 -4.511 0.822
79 H CYS 15 H CYS 15 2.916 -1.622 0.925
80 HA CYS 15 HA CYS 15 2.070 0.651 -0.683
81 HB2 CYS 15 1HB CYS 15 1.925 0.520 1.878
82 HB3 CYS 15 2HB CYS 15 3.666 0.778 1.869
83 H ARG 16 H ARG 16 3.342 0.846 -2.453
84 HA ARG 16 HA ARG 16 6.094 0.287 -2.566
85 HB2 ARG 16 1HB ARG 16 4.477 2.153 -4.313
86 HB3 ARG 16 2HB ARG 16 6.063 1.501 -4.700
87 HG2 ARG 16 1HG ARG 16 4.933 -0.802 -4.433
88 HG3 ARG 16 2HG ARG 16 3.425 0.101 -4.595
89 HD2 ARG 16 1HD ARG 16 4.482 1.109 -6.701
90 HD3 ARG 16 2HD ARG 16 5.660 -0.197 -6.576
91 HE ARG 16 HE ARG 16 3.343 -1.535 -6.474
92 HH11 ARG 16 1HH1 ARG 16 4.486 0.958 -8.618
93 HH12 ARG 16 2HH1 ARG 16 3.566 0.396 -9.974
94 HH21 ARG 16 1HH2 ARG 16 2.127 -2.285 -8.252
95 HH22 ARG 16 2HH2 ARG 16 2.223 -1.449 -9.764
96 H GLU 17 H GLU 17 4.469 2.814 -1.066
97 HA GLU 17 HA GLU 17 6.378 4.900 -1.477
98 HB2 GLU 17 1HB GLU 17 4.248 4.556 0.640
99 HB3 GLU 17 2HB GLU 17 5.190 6.021 0.398
100 HG2 GLU 17 1HG GLU 17 3.633 4.875 -1.872
101 HG3 GLU 17 2HG GLU 17 2.809 5.805 -0.621
102 H CYS 18 H CYS 18 5.637 2.806 1.311
103 HA CYS 18 HA CYS 18 8.356 3.340 2.315
104 HB2 CYS 18 1HB CYS 18 7.480 2.813 4.562
105 HB3 CYS 18 2HB CYS 18 6.645 4.181 3.833
106 H GLY 19 H GLY 19 5.849 0.862 1.946
107 HA2 GLY 19 1HA GLY 19 6.793 -1.263 0.972
108 HA3 GLY 19 2HA GLY 19 7.948 -1.187 2.294
109 H LYS 20 H LYS 20 4.890 -0.077 3.198
110 HA LYS 20 HA LYS 20 4.507 -2.176 5.058
111 HB2 LYS 20 1HB LYS 20 2.970 0.225 4.198
112 HB3 LYS 20 2HB LYS 20 2.098 -1.030 5.070
113 HG2 LYS 20 1HG LYS 20 4.050 -0.848 6.769
114 HG3 LYS 20 2HG LYS 20 4.332 0.717 6.002
115 HD2 LYS 20 1HD LYS 20 2.357 1.599 6.766
116 HD3 LYS 20 2HD LYS 20 1.560 0.025 6.843
117 HE2 LYS 20 1HE LYS 20 3.331 -0.429 8.722
118 HE3 LYS 20 2HE LYS 20 3.392 1.331 8.804
119 HZ1 LYS 20 3HZ LYS 20 1.538 1.310 9.986
120 HZ2 LYS 20 1HZ LYS 20 1.493 -0.380 9.927
121 HZ3 LYS 20 2HZ LYS 20 0.706 0.528 8.737
122 H SER 21 H SER 21 2.286 -3.304 5.190
123 HA SER 21 HA SER 21 1.297 -4.139 2.572
124 HB2 SER 21 1HB SER 21 1.571 -6.497 3.035
125 HB3 SER 21 2HB SER 21 3.139 -5.709 3.210
126 HG SER 21 HG SER 21 1.369 -6.349 5.337
127 H PHE 22 H PHE 22 -0.845 -4.465 2.555
128 HA PHE 22 HA PHE 22 -2.223 -4.815 5.131
129 HB2 PHE 22 1HB PHE 22 -3.223 -3.065 2.878
130 HB3 PHE 22 2HB PHE 22 -3.950 -3.264 4.469
131 HD1 PHE 22 HD2 PHE 22 -0.941 -1.989 2.724
132 HD2 PHE 22 HD1 PHE 22 -3.317 -1.900 6.255
133 HE1 PHE 22 HE2 PHE 22 0.374 -0.083 3.557
134 HE2 PHE 22 HE1 PHE 22 -2.006 0.006 7.093
135 HZ PHE 22 HZ PHE 22 -0.158 0.916 5.744
136 H SER 23 H SER 23 -3.562 -6.494 5.171
137 HA SER 23 HA SER 23 -3.845 -8.276 3.042
138 HB2 SER 23 1HB SER 23 -4.217 -8.698 5.544
139 HB3 SER 23 2HB SER 23 -5.839 -8.054 5.295
140 HG SER 23 HG SER 23 -6.127 -9.692 3.694
141 H PHE 24 H PHE 24 -5.566 -5.393 3.786
142 HA PHE 24 HA PHE 24 -7.460 -5.976 1.606
143 HB2 PHE 24 1HB PHE 24 -7.933 -4.653 4.262
144 HB3 PHE 24 2HB PHE 24 -8.964 -4.285 2.883
145 HD1 PHE 24 HD2 PHE 24 -7.504 -7.357 4.429
146 HD2 PHE 24 HD1 PHE 24 -10.951 -5.411 2.865
147 HE1 PHE 24 HE2 PHE 24 -8.848 -9.362 4.906
148 HE2 PHE 24 HE1 PHE 24 -12.301 -7.412 3.340
149 HZ PHE 24 HZ PHE 24 -11.250 -9.391 4.361
150 H ASN 25 H ASN 25 -8.004 -4.260 0.229
151 HA ASN 25 HA ASN 25 -5.915 -2.426 -0.294
152 HB2 ASN 25 1HB ASN 25 -7.314 -3.258 -2.095
153 HB3 ASN 25 2HB ASN 25 -8.745 -2.542 -1.359
154 HD21 ASN 25 1HD2 ASN 25 -5.652 -1.815 -2.859
155 HD22 ASN 25 2HD2 ASN 25 -6.085 -0.238 -3.417
156 H SER 26 H SER 26 -9.301 -1.784 0.639
157 HA SER 26 HA SER 26 -9.374 0.852 1.005
158 HB2 SER 26 1HB SER 26 -10.863 0.514 2.965
159 HB3 SER 26 2HB SER 26 -11.248 -0.572 1.630
160 HG SER 26 HG SER 26 -11.169 -1.935 3.286
161 H GLN 27 H GLN 27 -7.639 -1.382 3.098
162 HA GLN 27 HA GLN 27 -6.949 0.492 5.102
163 HB2 GLN 27 1HB GLN 27 -5.504 -2.037 4.291
164 HB3 GLN 27 2HB GLN 27 -5.278 -1.161 5.799
165 HG2 GLN 27 1HG GLN 27 -7.699 -1.582 6.293
166 HG3 GLN 27 2HG GLN 27 -7.725 -2.649 4.891
167 HE21 GLN 27 1HE2 GLN 27 -5.585 -2.081 7.670
168 HE22 GLN 27 2HE2 GLN 27 -5.430 -3.745 8.106
169 H LEU 28 H LEU 28 -4.826 -0.974 2.634
170 HA LEU 28 HA LEU 28 -2.623 0.604 2.926
171 HB2 LEU 28 1HB LEU 28 -2.619 -1.249 1.415
172 HB3 LEU 28 2HB LEU 28 -3.837 -0.485 0.395
173 HG LEU 28 HG LEU 28 -2.200 1.230 -0.251
174 HD11 LEU 28 1HD1 LEU 28 0.114 1.050 0.362
175 HD12 LEU 28 2HD1 LEU 28 -0.198 -0.420 1.282
176 HD13 LEU 28 3HD1 LEU 28 -0.858 1.120 1.832
177 HD21 LEU 28 3HD2 LEU 28 -2.471 -1.168 -1.310
178 HD22 LEU 28 1HD2 LEU 28 -0.812 -1.355 -0.742
179 HD23 LEU 28 2HD2 LEU 28 -1.218 -0.057 -1.865
180 H ILE 29 H ILE 29 -5.654 1.453 1.410
181 HA ILE 29 HA ILE 29 -4.749 3.822 0.126
182 HB ILE 29 HB ILE 29 -7.565 3.276 1.054
183 HG12 ILE 29 1HG1 ILE 29 -6.292 1.455 -0.377
184 HG13 ILE 29 2HG1 ILE 29 -7.957 1.891 -0.746
185 HG21 ILE 29 1HG2 ILE 29 -8.126 4.632 -0.957
186 HG22 ILE 29 2HG2 ILE 29 -7.252 5.523 0.288
187 HG23 ILE 29 3HG2 ILE 29 -6.406 4.964 -1.155
188 HD11 ILE 29 3HD1 ILE 29 -7.142 3.422 -2.485
189 HD12 ILE 29 1HD1 ILE 29 -5.492 2.905 -2.140
190 HD13 ILE 29 2HD1 ILE 29 -6.665 1.749 -2.771
191 H VAL 30 H VAL 30 -6.219 3.155 3.273
192 HA VAL 30 HA VAL 30 -6.444 5.882 4.055
193 HB VAL 30 HB VAL 30 -6.383 3.375 5.740
194 HG11 VAL 30 1HG1 VAL 30 -5.771 5.305 7.077
195 HG12 VAL 30 2HG1 VAL 30 -7.174 6.192 6.478
196 HG13 VAL 30 3HG1 VAL 30 -7.397 4.768 7.495
197 HG21 VAL 30 3HG2 VAL 30 -8.356 4.462 4.006
198 HG22 VAL 30 1HG2 VAL 30 -8.466 3.044 5.048
199 HG23 VAL 30 2HG2 VAL 30 -8.927 4.630 5.666
200 H HIS 31 H HIS 31 -3.874 3.567 4.094
201 HA HIS 31 HA HIS 31 -2.286 4.985 6.043
202 HB2 HIS 31 1HB HIS 31 -1.811 2.713 6.089
203 HB3 HIS 31 2HB HIS 31 -1.892 2.556 4.337
204 HD1 HIS 31 HD1 HIS 31 0.389 4.007 6.998
205 HD2 HIS 31 HD2 HIS 31 0.526 2.610 3.088
206 HE1 HIS 31 HE1 HIS 31 2.826 3.982 6.378
207 H GLN 32 H GLN 32 -2.140 4.433 2.533
208 HA GLN 32 HA GLN 32 0.153 5.836 1.933
209 HB2 GLN 32 1HB GLN 32 -2.402 5.439 0.397
210 HB3 GLN 32 2HB GLN 32 -1.060 6.350 -0.283
211 HG2 GLN 32 1HG GLN 32 0.309 4.213 0.372
212 HG3 GLN 32 2HG GLN 32 -1.276 3.445 0.311
213 HE21 GLN 32 1HE2 GLN 32 -0.367 2.206 -1.442
214 HE22 GLN 32 2HE2 GLN 32 -0.341 2.873 -3.036
215 H ARG 33 H ARG 33 -2.916 7.048 2.954
216 HA ARG 33 HA ARG 33 -2.762 9.672 1.960
217 HB2 ARG 33 1HB ARG 33 -4.032 8.927 4.588
218 HB3 ARG 33 2HB ARG 33 -4.502 10.207 3.477
219 HG2 ARG 33 1HG ARG 33 -4.912 8.211 1.832
220 HG3 ARG 33 2HG ARG 33 -5.020 7.281 3.328
221 HD2 ARG 33 1HD ARG 33 -7.224 7.932 2.882
222 HD3 ARG 33 2HD ARG 33 -6.668 9.068 4.111
223 HE ARG 33 HE ARG 33 -6.829 10.769 2.575
224 HH11 ARG 33 1HH1 ARG 33 -7.078 7.700 0.950
225 HH12 ARG 33 2HH1 ARG 33 -7.551 8.394 -0.566
226 HH21 ARG 33 1HH2 ARG 33 -7.451 11.694 0.585
227 HH22 ARG 33 2HH2 ARG 33 -7.762 10.666 -0.772
228 H ILE 34 H ILE 34 -0.757 8.129 4.119
229 HA ILE 34 HA ILE 34 -0.179 10.449 5.767
230 HB ILE 34 HB ILE 34 1.255 9.087 7.027
231 HG12 ILE 34 1HG1 ILE 34 1.231 7.091 4.752
232 HG13 ILE 34 2HG1 ILE 34 2.555 8.186 5.133
233 HG21 ILE 34 1HG2 ILE 34 -0.695 8.239 7.760
234 HG22 ILE 34 2HG2 ILE 34 -1.265 7.871 6.133
235 HG23 ILE 34 3HG2 ILE 34 -0.148 6.774 6.945
236 HD11 ILE 34 3HD1 ILE 34 2.584 7.060 7.423
237 HD12 ILE 34 1HD1 ILE 34 1.583 5.814 6.677
238 HD13 ILE 34 2HD1 ILE 34 3.196 6.145 6.045
239 H HIS 35 H HIS 35 1.069 8.849 2.946
240 HA HIS 35 HA HIS 35 3.623 10.179 3.006
241 HB2 HIS 35 1HB HIS 35 2.234 8.559 0.865
242 HB3 HIS 35 2HB HIS 35 3.859 9.216 0.700
243 HD1 HIS 35 HD1 HIS 35 5.546 8.362 2.729
244 HD2 HIS 35 HD2 HIS 35 2.200 6.054 1.874
245 HE1 HIS 35 HE1 HIS 35 6.028 6.093 3.702
246 H THR 36 H THR 36 0.848 10.332 0.765
247 HA THR 36 HA THR 36 1.688 12.552 -0.683
248 HB THR 36 HB THR 36 -0.162 11.180 -1.451
249 HG1 THR 36 HG1 THR 36 -1.705 13.352 -1.274
250 HG21 THR 36 3HG2 THR 36 -1.713 12.341 0.866
251 HG22 THR 36 1HG2 THR 36 -1.173 10.669 0.720
252 HG23 THR 36 2HG2 THR 36 -2.372 11.310 -0.403
253 H GLY 37 H GLY 37 -0.314 12.397 2.246
254 HA2 GLY 37 1HA GLY 37 -0.826 15.177 2.404
255 HA3 GLY 37 2HA GLY 37 -0.970 14.028 3.725
256 H GLU 38 H GLU 38 1.230 13.282 4.612
257 HA GLU 38 HA GLU 38 3.014 15.623 4.779
258 HB2 GLU 38 1HB GLU 38 2.031 13.761 6.925
259 HB3 GLU 38 2HB GLU 38 3.526 14.663 7.126
260 HG2 GLU 38 1HG GLU 38 0.798 15.839 6.649
261 HG3 GLU 38 2HG GLU 38 1.666 15.804 8.182
262 H ASN 39 H ASN 39 5.212 14.899 5.801
263 HA ASN 39 HA ASN 39 7.199 13.880 5.339
264 HB2 ASN 39 1HB ASN 39 6.273 12.228 6.874
265 HB3 ASN 39 2HB ASN 39 5.428 11.435 5.547
266 HD21 ASN 39 1HD2 ASN 39 6.396 9.765 4.655
267 HD22 ASN 39 2HD2 ASN 39 8.081 9.397 4.752
268 HA PRO 40 HA PRO 40 5.850 13.156 0.853
269 HB2 PRO 40 1HB PRO 40 6.727 15.521 -0.153
270 HB3 PRO 40 2HB PRO 40 5.090 15.291 0.472
271 HG2 PRO 40 1HG PRO 40 7.472 16.518 1.807
272 HG3 PRO 40 2HG PRO 40 5.786 17.067 1.802
273 HD2 PRO 40 1HD PRO 40 6.873 15.719 3.883
274 HD3 PRO 40 2HD PRO 40 5.161 15.568 3.438
275 H SER 41 H SER 41 8.694 14.998 1.975
276 HA SER 41 HA SER 41 10.377 13.202 0.355
277 HB2 SER 41 1HB SER 41 10.144 15.716 -0.335
278 HB3 SER 41 2HB SER 41 11.237 15.999 1.020
279 HG SER 41 HG SER 41 12.527 15.690 -0.730
280 H GLY 42 H GLY 42 9.759 12.457 2.896
281 HA2 GLY 42 1HA GLY 42 10.597 12.106 5.031
282 HA3 GLY 42 2HA GLY 42 12.054 11.765 4.110
283 HA PRO 43 HA PRO 43 12.446 16.385 5.471
284 HB2 PRO 43 1HB PRO 43 10.538 17.337 7.151
285 HB3 PRO 43 2HB PRO 43 10.406 17.440 5.391
286 HG2 PRO 43 1HG PRO 43 9.165 15.469 7.271
287 HG3 PRO 43 2HG PRO 43 8.443 16.294 5.878
288 HD2 PRO 43 1HD PRO 43 9.330 13.738 5.758
289 HD3 PRO 43 2HD PRO 43 9.389 14.836 4.364
290 H SER 44 H SER 44 11.046 14.085 7.742
291 HA SER 44 HA SER 44 12.638 15.105 9.946
292 HB2 SER 44 1HB SER 44 11.482 13.479 11.311
293 HB3 SER 44 2HB SER 44 10.297 14.280 10.278
294 HG SER 44 HG SER 44 10.006 12.473 9.178
295 H SER 45 H SER 45 12.456 12.208 7.921
296 HA SER 45 HA SER 45 14.511 10.771 9.213
297 HB2 SER 45 1HB SER 45 13.236 10.606 6.497
298 HB3 SER 45 2HB SER 45 14.634 9.604 6.887
299 HG SER 45 HG SER 45 12.110 9.649 8.173
300 H GLY 46 H GLY 46 14.584 12.611 6.153
301 HA2 GLY 46 1HA GLY 46 17.081 13.818 6.690
302 HA3 GLY 46 2HA GLY 46 17.330 12.393 5.692
Start of MODEL 17
1 H1 GLY 1 H GLY 1 28.899 -15.818 3.630
2 HA2 GLY 1 1HA GLY 1 26.651 -13.996 4.189
3 HA3 GLY 1 2HA GLY 1 26.790 -15.023 2.770
4 H SER 2 H SER 2 25.559 -14.731 5.919
5 HA SER 2 HA SER 2 24.697 -17.549 5.859
6 HB2 SER 2 1HB SER 2 26.341 -16.919 7.707
7 HB3 SER 2 2HB SER 2 25.046 -15.934 8.386
8 HG SER 2 HG SER 2 25.405 -18.383 8.927
9 H SER 3 H SER 3 23.867 -14.309 7.068
10 HA SER 3 HA SER 3 21.118 -14.993 7.504
11 HB2 SER 3 1HB SER 3 20.822 -12.726 8.181
12 HB3 SER 3 2HB SER 3 22.421 -13.202 8.751
13 HG SER 3 HG SER 3 23.295 -11.787 7.459
14 H GLY 4 H GLY 4 19.301 -14.189 6.364
15 HA2 GLY 4 1HA GLY 4 18.911 -12.611 4.296
16 HA3 GLY 4 2HA GLY 4 19.824 -13.884 3.500
17 H SER 5 H SER 5 17.424 -14.241 6.071
18 HA SER 5 HA SER 5 15.698 -15.664 4.153
19 HB2 SER 5 1HB SER 5 16.856 -17.236 5.678
20 HB3 SER 5 2HB SER 5 16.151 -16.393 7.057
21 HG SER 5 HG SER 5 14.503 -17.411 5.015
22 H SER 6 H SER 6 14.186 -14.111 3.806
23 HA SER 6 HA SER 6 12.306 -13.606 5.922
24 HB2 SER 6 1HB SER 6 13.886 -11.836 6.434
25 HB3 SER 6 2HB SER 6 13.895 -11.310 4.751
26 HG SER 6 HG SER 6 12.453 -9.981 5.651
27 H GLY 7 H GLY 7 10.332 -12.663 5.165
28 HA2 GLY 7 1HA GLY 7 8.923 -11.815 3.443
29 HA3 GLY 7 2HA GLY 7 10.089 -12.374 2.253
30 H THR 8 H THR 8 8.721 -14.198 4.955
31 HA THR 8 HA THR 8 8.276 -16.534 3.543
32 HB THR 8 HB THR 8 6.615 -15.582 5.883
33 HG1 THR 8 HG1 THR 8 9.028 -17.095 5.944
34 HG21 THR 8 3HG2 THR 8 7.267 -18.383 5.841
35 HG22 THR 8 1HG2 THR 8 6.477 -17.921 4.334
36 HG23 THR 8 2HG2 THR 8 5.684 -17.607 5.877
37 H GLY 9 H GLY 9 5.863 -14.032 4.363
38 HA2 GLY 9 1HA GLY 9 4.276 -14.987 2.059
39 HA3 GLY 9 2HA GLY 9 3.532 -14.501 3.575
40 H GLU 10 H GLU 10 2.471 -13.234 1.608
41 HA GLU 10 HA GLU 10 3.451 -10.519 1.880
42 HB2 GLU 10 1HB GLU 10 3.203 -11.867 -0.813
43 HB3 GLU 10 2HB GLU 10 3.348 -10.129 -0.592
44 HG2 GLU 10 1HG GLU 10 5.501 -10.739 0.723
45 HG3 GLU 10 2HG GLU 10 5.379 -12.267 -0.147
46 H LYS 11 H LYS 11 1.886 -8.934 1.394
47 HA LYS 11 HA LYS 11 -0.849 -9.957 1.483
48 HB2 LYS 11 1HB LYS 11 0.031 -7.089 1.793
49 HB3 LYS 11 2HB LYS 11 -1.491 -7.810 2.298
50 HG2 LYS 11 1HG LYS 11 1.172 -8.580 3.462
51 HG3 LYS 11 2HG LYS 11 0.131 -7.326 4.140
52 HD2 LYS 11 1HD LYS 11 -1.504 -8.846 4.770
53 HD3 LYS 11 2HD LYS 11 -0.960 -10.063 3.613
54 HE2 LYS 11 1HE LYS 11 0.803 -10.735 4.956
55 HE3 LYS 11 2HE LYS 11 0.836 -9.215 5.848
56 HZ1 LYS 11 3HZ LYS 11 -0.501 -11.597 6.502
57 HZ2 LYS 11 1HZ LYS 11 -1.658 -10.384 6.268
58 HZ3 LYS 11 2HZ LYS 11 -0.413 -10.160 7.391
59 HA PRO 12 HA PRO 12 -1.844 -8.871 -2.653
60 HB2 PRO 12 1HB PRO 12 -4.459 -8.191 -2.389
61 HB3 PRO 12 2HB PRO 12 -3.886 -9.860 -2.290
62 HG2 PRO 12 1HG PRO 12 -4.562 -7.955 -0.082
63 HG3 PRO 12 2HG PRO 12 -4.959 -9.676 -0.235
64 HD2 PRO 12 1HD PRO 12 -2.916 -8.782 1.302
65 HD3 PRO 12 2HD PRO 12 -2.869 -10.349 0.467
66 H HIS 13 H HIS 13 -1.410 -6.625 -0.315
67 HA HIS 13 HA HIS 13 -1.580 -4.440 -2.221
68 HB2 HIS 13 1HB HIS 13 -3.021 -4.349 0.438
69 HB3 HIS 13 2HB HIS 13 -2.810 -2.979 -0.649
70 HD2 HIS 13 HD2 HIS 13 -5.309 -5.735 0.012
71 HE1 HIS 13 HE1 HIS 13 -6.150 -4.293 -3.888
72 HE2 HIS 13 HE2 HIS 13 -7.004 -5.640 -1.939
73 H GLU 14 H GLU 14 0.512 -3.879 -2.177
74 HA GLU 14 HA GLU 14 1.791 -3.497 0.448
75 HB2 GLU 14 1HB GLU 14 2.715 -5.110 -1.433
76 HB3 GLU 14 2HB GLU 14 3.373 -3.614 -2.081
77 HG2 GLU 14 1HG GLU 14 4.738 -3.266 -0.226
78 HG3 GLU 14 2HG GLU 14 3.824 -4.395 0.772
79 H CYS 15 H CYS 15 2.978 -1.617 0.850
80 HA CYS 15 HA CYS 15 2.117 0.682 -0.728
81 HB2 CYS 15 1HB CYS 15 1.912 0.588 1.804
82 HB3 CYS 15 2HB CYS 15 3.667 0.727 1.861
83 H ARG 16 H ARG 16 3.382 1.247 -2.368
84 HA ARG 16 HA ARG 16 6.148 0.545 -2.512
85 HB2 ARG 16 1HB ARG 16 4.439 2.343 -4.237
86 HB3 ARG 16 2HB ARG 16 6.109 1.927 -4.602
87 HG2 ARG 16 1HG ARG 16 3.905 -0.097 -4.287
88 HG3 ARG 16 2HG ARG 16 4.412 0.587 -5.833
89 HD2 ARG 16 1HD ARG 16 6.257 -0.860 -3.940
90 HD3 ARG 16 2HD ARG 16 5.423 -1.635 -5.286
91 HE ARG 16 HE ARG 16 6.723 0.455 -6.440
92 HH11 ARG 16 1HH1 ARG 16 7.704 -2.194 -4.405
93 HH12 ARG 16 2HH1 ARG 16 9.300 -2.287 -5.074
94 HH21 ARG 16 1HH2 ARG 16 8.821 0.343 -7.327
95 HH22 ARG 16 2HH2 ARG 16 9.935 -0.843 -6.735
96 H GLU 17 H GLU 17 4.542 2.973 -0.897
97 HA GLU 17 HA GLU 17 6.438 5.096 -1.278
98 HB2 GLU 17 1HB GLU 17 4.313 4.733 0.843
99 HB3 GLU 17 2HB GLU 17 5.216 6.212 0.545
100 HG2 GLU 17 1HG GLU 17 3.652 4.974 -1.669
101 HG3 GLU 17 2HG GLU 17 2.823 5.910 -0.426
102 H CYS 18 H CYS 18 5.744 2.766 1.311
103 HA CYS 18 HA CYS 18 8.420 3.331 2.411
104 HB2 CYS 18 1HB CYS 18 7.530 2.769 4.639
105 HB3 CYS 18 2HB CYS 18 6.694 4.149 3.933
106 H GLY 19 H GLY 19 5.880 0.879 2.031
107 HA2 GLY 19 1HA GLY 19 6.810 -1.231 0.989
108 HA3 GLY 19 2HA GLY 19 7.964 -1.194 2.314
109 H LYS 20 H LYS 20 4.925 -0.071 3.252
110 HA LYS 20 HA LYS 20 4.516 -2.210 5.058
111 HB2 LYS 20 1HB LYS 20 2.986 0.218 4.247
112 HB3 LYS 20 2HB LYS 20 2.128 -1.043 5.123
113 HG2 LYS 20 1HG LYS 20 4.238 -0.840 6.719
114 HG3 LYS 20 2HG LYS 20 4.267 0.789 6.038
115 HD2 LYS 20 1HD LYS 20 2.854 1.192 7.766
116 HD3 LYS 20 2HD LYS 20 1.659 0.611 6.604
117 HE2 LYS 20 1HE LYS 20 3.022 -1.412 8.290
118 HE3 LYS 20 2HE LYS 20 1.850 -0.359 9.080
119 HZ1 LYS 20 3HZ LYS 20 1.146 -1.731 6.570
120 HZ2 LYS 20 1HZ LYS 20 0.130 -1.169 7.801
121 HZ3 LYS 20 2HZ LYS 20 1.059 -2.562 8.041
122 H SER 21 H SER 21 2.295 -3.327 5.168
123 HA SER 21 HA SER 21 1.275 -4.075 2.536
124 HB2 SER 21 1HB SER 21 1.570 -6.435 2.880
125 HB3 SER 21 2HB SER 21 3.135 -5.664 3.137
126 HG SER 21 HG SER 21 2.178 -5.636 5.475
127 H PHE 22 H PHE 22 -0.867 -4.438 2.532
128 HA PHE 22 HA PHE 22 -2.213 -4.836 5.118
129 HB2 PHE 22 1HB PHE 22 -3.292 -3.081 2.909
130 HB3 PHE 22 2HB PHE 22 -3.935 -3.271 4.537
131 HD1 PHE 22 HD2 PHE 22 -0.951 -2.071 2.678
132 HD2 PHE 22 HD1 PHE 22 -3.285 -1.823 6.229
133 HE1 PHE 22 HE2 PHE 22 0.400 -0.157 3.429
134 HE2 PHE 22 HE1 PHE 22 -1.938 0.093 6.985
135 HZ PHE 22 HZ PHE 22 -0.092 0.927 5.584
136 H SER 23 H SER 23 -3.533 -6.529 5.147
137 HA SER 23 HA SER 23 -3.830 -8.280 2.999
138 HB2 SER 23 1HB SER 23 -4.184 -8.717 5.511
139 HB3 SER 23 2HB SER 23 -5.821 -8.113 5.255
140 HG SER 23 HG SER 23 -5.611 -9.786 3.375
141 H PHE 24 H PHE 24 -5.578 -5.427 3.814
142 HA PHE 24 HA PHE 24 -7.494 -5.999 1.649
143 HB2 PHE 24 1HB PHE 24 -7.918 -4.684 4.316
144 HB3 PHE 24 2HB PHE 24 -8.968 -4.298 2.957
145 HD1 PHE 24 HD2 PHE 24 -7.486 -7.434 4.345
146 HD2 PHE 24 HD1 PHE 24 -10.984 -5.368 3.074
147 HE1 PHE 24 HE2 PHE 24 -8.837 -9.432 4.829
148 HE2 PHE 24 HE1 PHE 24 -12.341 -7.363 3.557
149 HZ PHE 24 HZ PHE 24 -11.268 -9.399 4.435
150 H ASN 25 H ASN 25 -8.047 -4.290 0.272
151 HA ASN 25 HA ASN 25 -5.969 -2.458 -0.285
152 HB2 ASN 25 1HB ASN 25 -7.494 -3.349 -2.012
153 HB3 ASN 25 2HB ASN 25 -8.823 -2.446 -1.292
154 HD21 ASN 25 1HD2 ASN 25 -5.530 -1.925 -2.503
155 HD22 ASN 25 2HD2 ASN 25 -5.874 -0.424 -3.287
156 H SER 26 H SER 26 -9.336 -1.799 0.703
157 HA SER 26 HA SER 26 -9.386 0.837 1.074
158 HB2 SER 26 1HB SER 26 -10.868 0.516 3.026
159 HB3 SER 26 2HB SER 26 -11.251 -0.609 1.724
160 HG SER 26 HG SER 26 -9.997 -2.181 2.869
161 H GLN 27 H GLN 27 -7.677 -1.415 3.180
162 HA GLN 27 HA GLN 27 -6.935 0.452 5.162
163 HB2 GLN 27 1HB GLN 27 -5.524 -2.089 4.331
164 HB3 GLN 27 2HB GLN 27 -5.265 -1.214 5.834
165 HG2 GLN 27 1HG GLN 27 -7.718 -1.599 6.320
166 HG3 GLN 27 2HG GLN 27 -7.705 -2.729 4.966
167 HE21 GLN 27 1HE2 GLN 27 -5.606 -2.005 7.740
168 HE22 GLN 27 2HE2 GLN 27 -5.438 -3.645 8.257
169 H LEU 28 H LEU 28 -4.857 -1.022 2.661
170 HA LEU 28 HA LEU 28 -2.635 0.533 2.931
171 HB2 LEU 28 1HB LEU 28 -2.637 -1.300 1.412
172 HB3 LEU 28 2HB LEU 28 -3.900 -0.561 0.430
173 HG LEU 28 HG LEU 28 -2.324 1.166 -0.296
174 HD11 LEU 28 1HD1 LEU 28 0.008 1.071 0.265
175 HD12 LEU 28 2HD1 LEU 28 -0.238 -0.388 1.225
176 HD13 LEU 28 3HD1 LEU 28 -0.932 1.144 1.756
177 HD21 LEU 28 3HD2 LEU 28 -2.565 -0.900 -1.595
178 HD22 LEU 28 1HD2 LEU 28 -1.256 -1.631 -0.666
179 HD23 LEU 28 2HD2 LEU 28 -0.931 -0.244 -1.705
180 H ILE 29 H ILE 29 -5.673 1.412 1.438
181 HA ILE 29 HA ILE 29 -4.758 3.785 0.170
182 HB ILE 29 HB ILE 29 -7.575 3.252 1.102
183 HG12 ILE 29 1HG1 ILE 29 -6.313 1.431 -0.344
184 HG13 ILE 29 2HG1 ILE 29 -7.980 1.872 -0.697
185 HG21 ILE 29 1HG2 ILE 29 -6.432 4.918 -1.135
186 HG22 ILE 29 2HG2 ILE 29 -8.151 4.635 -0.866
187 HG23 ILE 29 3HG2 ILE 29 -7.203 5.508 0.337
188 HD11 ILE 29 3HD1 ILE 29 -7.186 3.401 -2.440
189 HD12 ILE 29 1HD1 ILE 29 -5.529 2.901 -2.105
190 HD13 ILE 29 2HD1 ILE 29 -6.694 1.733 -2.732
191 H VAL 30 H VAL 30 -6.179 3.090 3.327
192 HA VAL 30 HA VAL 30 -6.424 5.808 4.135
193 HB VAL 30 HB VAL 30 -6.332 3.263 5.757
194 HG11 VAL 30 1HG1 VAL 30 -7.463 4.847 7.481
195 HG12 VAL 30 2HG1 VAL 30 -5.704 4.833 7.333
196 HG13 VAL 30 3HG1 VAL 30 -6.644 6.121 6.577
197 HG21 VAL 30 3HG2 VAL 30 -8.832 4.171 6.021
198 HG22 VAL 30 1HG2 VAL 30 -8.460 4.835 4.430
199 HG23 VAL 30 2HG2 VAL 30 -8.341 3.098 4.711
200 H HIS 31 H HIS 31 -3.821 3.532 4.100
201 HA HIS 31 HA HIS 31 -2.213 4.986 6.015
202 HB2 HIS 31 1HB HIS 31 -1.725 2.717 6.099
203 HB3 HIS 31 2HB HIS 31 -1.833 2.524 4.352
204 HD1 HIS 31 HD1 HIS 31 0.490 3.942 6.982
205 HD2 HIS 31 HD2 HIS 31 0.556 2.665 3.029
206 HE1 HIS 31 HE1 HIS 31 2.915 3.944 6.315
207 H GLN 32 H GLN 32 -2.149 4.379 2.513
208 HA GLN 32 HA GLN 32 0.134 5.769 1.838
209 HB2 GLN 32 1HB GLN 32 -2.455 5.345 0.368
210 HB3 GLN 32 2HB GLN 32 -1.133 6.248 -0.358
211 HG2 GLN 32 1HG GLN 32 0.252 4.117 0.313
212 HG3 GLN 32 2HG GLN 32 -1.335 3.352 0.271
213 HE21 GLN 32 1HE2 GLN 32 -0.477 2.094 -1.481
214 HE22 GLN 32 2HE2 GLN 32 -0.449 2.750 -3.079
215 H ARG 33 H ARG 33 -2.896 6.997 2.936
216 HA ARG 33 HA ARG 33 -2.758 9.609 1.889
217 HB2 ARG 33 1HB ARG 33 -3.985 9.081 4.564
218 HB3 ARG 33 2HB ARG 33 -4.559 10.107 3.257
219 HG2 ARG 33 1HG ARG 33 -4.962 7.954 1.960
220 HG3 ARG 33 2HG ARG 33 -4.737 7.125 3.502
221 HD2 ARG 33 1HD ARG 33 -6.702 9.372 3.131
222 HD3 ARG 33 2HD ARG 33 -7.123 7.683 2.853
223 HE ARG 33 HE ARG 33 -7.017 7.295 5.139
224 HH11 ARG 33 1HH1 ARG 33 -5.998 10.535 4.376
225 HH12 ARG 33 2HH1 ARG 33 -6.070 11.084 6.017
226 HH21 ARG 33 1HH2 ARG 33 -7.115 8.006 7.304
227 HH22 ARG 33 2HH2 ARG 33 -6.704 9.644 7.683
228 H ILE 34 H ILE 34 -0.707 8.094 4.006
229 HA ILE 34 HA ILE 34 -0.118 10.426 5.638
230 HB ILE 34 HB ILE 34 1.327 9.076 6.896
231 HG12 ILE 34 1HG1 ILE 34 1.288 7.063 4.636
232 HG13 ILE 34 2HG1 ILE 34 2.613 8.165 4.996
233 HG21 ILE 34 1HG2 ILE 34 -0.574 8.190 7.680
234 HG22 ILE 34 2HG2 ILE 34 -1.215 7.895 6.064
235 HG23 ILE 34 3HG2 ILE 34 -0.090 6.747 6.789
236 HD11 ILE 34 3HD1 ILE 34 3.262 6.122 5.910
237 HD12 ILE 34 1HD1 ILE 34 2.681 7.058 7.287
238 HD13 ILE 34 2HD1 ILE 34 1.659 5.808 6.576
239 H HIS 35 H HIS 35 1.126 8.764 2.842
240 HA HIS 35 HA HIS 35 3.654 10.152 2.852
241 HB2 HIS 35 1HB HIS 35 2.320 8.413 0.769
242 HB3 HIS 35 2HB HIS 35 3.942 9.082 0.610
243 HD1 HIS 35 HD1 HIS 35 5.643 8.294 2.608
244 HD2 HIS 35 HD2 HIS 35 2.245 5.988 1.978
245 HE1 HIS 35 HE1 HIS 35 6.118 6.083 3.709
246 H THR 36 H THR 36 0.878 10.126 0.607
247 HA THR 36 HA THR 36 1.589 12.191 -1.040
248 HB THR 36 HB THR 36 -0.399 10.919 -1.503
249 HG1 THR 36 HG1 THR 36 -1.553 13.415 -0.995
250 HG21 THR 36 3HG2 THR 36 -1.189 10.463 0.726
251 HG22 THR 36 1HG2 THR 36 -2.474 11.272 -0.170
252 HG23 THR 36 2HG2 THR 36 -1.516 12.173 1.005
253 H GLY 37 H GLY 37 0.224 12.396 2.199
254 HA2 GLY 37 1HA GLY 37 -0.015 15.288 2.051
255 HA3 GLY 37 2HA GLY 37 -0.416 14.275 3.431
256 H GLU 38 H GLU 38 2.590 14.680 1.567
257 HA GLU 38 HA GLU 38 4.037 14.985 4.085
258 HB2 GLU 38 1HB GLU 38 4.775 14.214 1.305
259 HB3 GLU 38 2HB GLU 38 6.011 14.972 2.298
260 HG2 GLU 38 1HG GLU 38 6.006 13.234 3.848
261 HG3 GLU 38 2HG GLU 38 4.446 12.625 3.298
262 H ASN 39 H ASN 39 6.104 16.497 3.694
263 HA ASN 39 HA ASN 39 4.974 19.130 3.109
264 HB2 ASN 39 1HB ASN 39 7.253 18.143 4.778
265 HB3 ASN 39 2HB ASN 39 7.291 19.800 4.183
266 HD21 ASN 39 1HD2 ASN 39 5.645 17.524 6.231
267 HD22 ASN 39 2HD2 ASN 39 4.738 18.685 7.133
268 HA PRO 40 HA PRO 40 7.287 19.807 -0.557
269 HB2 PRO 40 1HB PRO 40 7.943 22.432 -0.334
270 HB3 PRO 40 2HB PRO 40 6.299 21.878 -0.674
271 HG2 PRO 40 1HG PRO 40 7.507 22.745 1.924
272 HG3 PRO 40 2HG PRO 40 5.915 23.134 1.245
273 HD2 PRO 40 1HD PRO 40 6.265 21.237 3.145
274 HD3 PRO 40 2HD PRO 40 5.005 21.120 1.900
275 H SER 41 H SER 41 9.403 20.732 -1.391
276 HA SER 41 HA SER 41 11.540 19.683 0.217
277 HB2 SER 41 1HB SER 41 11.377 20.896 -2.532
278 HB3 SER 41 2HB SER 41 12.936 20.562 -1.780
279 HG SER 41 HG SER 41 11.594 18.878 -3.136
280 H GLY 42 H GLY 42 10.524 21.659 1.707
281 HA2 GLY 42 1HA GLY 42 12.589 23.760 1.510
282 HA3 GLY 42 2HA GLY 42 10.917 24.161 1.875
283 HA PRO 43 HA PRO 43 11.658 23.677 6.163
284 HB2 PRO 43 1HB PRO 43 9.337 22.575 7.040
285 HB3 PRO 43 2HB PRO 43 9.463 24.258 6.514
286 HG2 PRO 43 1HG PRO 43 8.455 21.874 5.010
287 HG3 PRO 43 2HG PRO 43 7.783 23.513 5.089
288 HD2 PRO 43 1HD PRO 43 9.268 22.647 2.997
289 HD3 PRO 43 2HD PRO 43 9.279 24.337 3.541
290 H SER 44 H SER 44 10.048 20.776 4.844
291 HA SER 44 HA SER 44 11.095 19.021 6.811
292 HB2 SER 44 1HB SER 44 9.122 18.298 5.723
293 HB3 SER 44 2HB SER 44 9.805 18.579 4.121
294 HG SER 44 HG SER 44 10.946 16.700 5.889
295 H SER 45 H SER 45 12.885 17.757 6.832
296 HA SER 45 HA SER 45 15.031 18.478 5.056
297 HB2 SER 45 1HB SER 45 14.831 16.571 7.389
298 HB3 SER 45 2HB SER 45 16.305 16.758 6.439
299 HG SER 45 HG SER 45 16.124 18.108 8.371
300 H GLY 46 H GLY 46 13.532 15.351 5.919
301 HA2 GLY 46 1HA GLY 46 13.035 13.535 4.581
302 HA3 GLY 46 2HA GLY 46 13.452 14.510 3.179
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -0.091 -6.999 29.098
2 HA2 GLY 1 1HA GLY 1 0.197 -5.054 27.769
3 HA3 GLY 1 2HA GLY 1 1.590 -6.048 27.368
4 H SER 2 H SER 2 1.316 -4.555 25.414
5 HA SER 2 HA SER 2 -0.161 -6.057 23.380
6 HB2 SER 2 1HB SER 2 -0.342 -3.072 23.822
7 HB3 SER 2 2HB SER 2 -0.851 -3.864 22.331
8 HG SER 2 HG SER 2 -1.840 -4.584 24.887
9 H SER 3 H SER 3 1.254 -6.668 21.898
10 HA SER 3 HA SER 3 3.494 -4.862 21.258
11 HB2 SER 3 1HB SER 3 4.804 -6.887 20.689
12 HB3 SER 3 2HB SER 3 4.300 -6.876 22.379
13 HG SER 3 HG SER 3 3.742 -8.671 20.447
14 H GLY 4 H GLY 4 1.569 -7.541 19.893
15 HA2 GLY 4 1HA GLY 4 0.423 -6.481 17.749
16 HA3 GLY 4 2HA GLY 4 2.091 -6.544 17.201
17 H SER 5 H SER 5 0.137 -7.892 15.831
18 HA SER 5 HA SER 5 0.819 -10.694 16.425
19 HB2 SER 5 1HB SER 5 -1.564 -10.149 16.998
20 HB3 SER 5 2HB SER 5 -1.831 -9.764 15.297
21 HG SER 5 HG SER 5 -2.333 -11.989 16.064
22 H SER 6 H SER 6 2.541 -10.484 14.913
23 HA SER 6 HA SER 6 2.306 -9.596 12.281
24 HB2 SER 6 1HB SER 6 4.119 -11.794 13.307
25 HB3 SER 6 2HB SER 6 4.352 -10.851 11.835
26 HG SER 6 HG SER 6 4.194 -9.008 13.516
27 H GLY 7 H GLY 7 1.994 -10.670 10.309
28 HA2 GLY 7 1HA GLY 7 0.474 -13.190 10.559
29 HA3 GLY 7 2HA GLY 7 0.176 -11.971 9.328
30 H THR 8 H THR 8 0.491 -14.551 8.555
31 HA THR 8 HA THR 8 3.260 -14.832 7.647
32 HB THR 8 HB THR 8 2.637 -17.093 6.948
33 HG1 THR 8 HG1 THR 8 0.058 -16.192 7.676
34 HG21 THR 8 3HG2 THR 8 2.823 -17.949 9.033
35 HG22 THR 8 1HG2 THR 8 1.437 -17.046 9.641
36 HG23 THR 8 2HG2 THR 8 3.007 -16.257 9.494
37 H GLY 9 H GLY 9 3.835 -14.923 5.490
38 HA2 GLY 9 1HA GLY 9 3.678 -14.565 3.224
39 HA3 GLY 9 2HA GLY 9 1.971 -14.963 3.351
40 H GLU 10 H GLU 10 3.909 -12.668 2.252
41 HA GLU 10 HA GLU 10 3.169 -10.240 3.313
42 HB2 GLU 10 1HB GLU 10 3.842 -11.084 0.510
43 HB3 GLU 10 2HB GLU 10 3.409 -9.417 0.864
44 HG2 GLU 10 1HG GLU 10 5.263 -9.168 2.338
45 HG3 GLU 10 2HG GLU 10 5.628 -10.890 2.257
46 H LYS 11 H LYS 11 1.743 -8.579 2.149
47 HA LYS 11 HA LYS 11 -0.920 -9.766 1.867
48 HB2 LYS 11 1HB LYS 11 -0.376 -6.820 2.069
49 HB3 LYS 11 2HB LYS 11 -1.820 -7.710 2.534
50 HG2 LYS 11 1HG LYS 11 0.838 -7.860 3.941
51 HG3 LYS 11 2HG LYS 11 -0.546 -6.899 4.466
52 HD2 LYS 11 1HD LYS 11 -1.808 -9.186 4.342
53 HD3 LYS 11 2HD LYS 11 -0.183 -9.865 4.462
54 HE2 LYS 11 1HE LYS 11 -0.944 -9.736 6.676
55 HE3 LYS 11 2HE LYS 11 0.121 -8.344 6.485
56 HZ1 LYS 11 3HZ LYS 11 -1.597 -6.892 6.619
57 HZ2 LYS 11 1HZ LYS 11 -2.269 -8.139 7.545
58 HZ3 LYS 11 2HZ LYS 11 -2.719 -7.952 5.926
59 HA PRO 12 HA PRO 12 -1.212 -8.951 -2.438
60 HB2 PRO 12 1HB PRO 12 -3.858 -8.393 -2.681
61 HB3 PRO 12 2HB PRO 12 -3.244 -10.023 -2.378
62 HG2 PRO 12 1HG PRO 12 -4.382 -8.038 -0.447
63 HG3 PRO 12 2HG PRO 12 -4.673 -9.784 -0.559
64 HD2 PRO 12 1HD PRO 12 -2.976 -8.704 1.253
65 HD3 PRO 12 2HD PRO 12 -2.716 -10.309 0.540
66 H HIS 13 H HIS 13 -1.450 -6.553 -0.164
67 HA HIS 13 HA HIS 13 -1.501 -4.482 -2.244
68 HB2 HIS 13 1HB HIS 13 -2.993 -4.404 0.383
69 HB3 HIS 13 2HB HIS 13 -2.746 -2.998 -0.647
70 HD2 HIS 13 HD2 HIS 13 -5.202 -5.866 -0.224
71 HE1 HIS 13 HE1 HIS 13 -5.992 -4.147 -4.021
72 HE2 HIS 13 HE2 HIS 13 -6.851 -5.668 -2.207
73 H GLU 14 H GLU 14 0.710 -4.211 -2.173
74 HA GLU 14 HA GLU 14 1.947 -3.581 0.401
75 HB2 GLU 14 1HB GLU 14 2.894 -5.147 -1.520
76 HB3 GLU 14 2HB GLU 14 3.499 -3.619 -2.145
77 HG2 GLU 14 1HG GLU 14 4.807 -3.237 -0.219
78 HG3 GLU 14 2HG GLU 14 4.009 -4.535 0.668
79 H CYS 15 H CYS 15 2.932 -1.634 0.849
80 HA CYS 15 HA CYS 15 1.968 0.624 -0.700
81 HB2 CYS 15 1HB CYS 15 1.971 0.435 1.873
82 HB3 CYS 15 2HB CYS 15 3.690 0.800 1.762
83 H ARG 16 H ARG 16 3.129 1.033 -2.484
84 HA ARG 16 HA ARG 16 5.873 0.499 -2.807
85 HB2 ARG 16 1HB ARG 16 4.384 0.724 -4.717
86 HB3 ARG 16 2HB ARG 16 4.073 2.406 -4.308
87 HG2 ARG 16 1HG ARG 16 5.615 2.344 -6.126
88 HG3 ARG 16 2HG ARG 16 6.482 2.882 -4.686
89 HD2 ARG 16 1HD ARG 16 7.874 1.310 -5.806
90 HD3 ARG 16 2HD ARG 16 7.236 0.516 -4.367
91 HE ARG 16 HE ARG 16 5.475 -0.254 -6.218
92 HH11 ARG 16 1HH1 ARG 16 8.956 -0.187 -6.257
93 HH12 ARG 16 2HH1 ARG 16 9.100 -1.542 -7.327
94 HH21 ARG 16 1HH2 ARG 16 5.652 -2.039 -7.627
95 HH22 ARG 16 2HH2 ARG 16 7.220 -2.594 -8.106
96 H GLU 17 H GLU 17 4.269 2.991 -1.152
97 HA GLU 17 HA GLU 17 6.167 5.079 -1.495
98 HB2 GLU 17 1HB GLU 17 4.199 4.615 0.753
99 HB3 GLU 17 2HB GLU 17 5.064 6.114 0.447
100 HG2 GLU 17 1HG GLU 17 3.293 4.899 -1.636
101 HG3 GLU 17 2HG GLU 17 2.637 5.911 -0.350
102 H CYS 18 H CYS 18 5.608 2.758 1.149
103 HA CYS 18 HA CYS 18 8.373 3.256 2.041
104 HB2 CYS 18 1HB CYS 18 7.587 2.547 4.308
105 HB3 CYS 18 2HB CYS 18 6.850 4.039 3.732
106 H GLY 19 H GLY 19 5.835 0.834 1.612
107 HA2 GLY 19 1HA GLY 19 6.760 -1.238 0.495
108 HA3 GLY 19 2HA GLY 19 7.902 -1.263 1.830
109 H LYS 20 H LYS 20 5.221 -0.144 3.230
110 HA LYS 20 HA LYS 20 4.684 -2.355 4.781
111 HB2 LYS 20 1HB LYS 20 3.113 0.088 4.074
112 HB3 LYS 20 2HB LYS 20 2.322 -1.195 4.979
113 HG2 LYS 20 1HG LYS 20 4.486 -0.983 6.480
114 HG3 LYS 20 2HG LYS 20 4.499 0.645 5.798
115 HD2 LYS 20 1HD LYS 20 1.969 0.621 6.476
116 HD3 LYS 20 2HD LYS 20 2.486 -0.657 7.579
117 HE2 LYS 20 1HE LYS 20 3.764 2.069 7.425
118 HE3 LYS 20 2HE LYS 20 2.494 1.637 8.569
119 HZ1 LYS 20 3HZ LYS 20 3.973 0.665 9.884
120 HZ2 LYS 20 1HZ LYS 20 5.199 1.305 8.910
121 HZ3 LYS 20 2HZ LYS 20 4.615 -0.256 8.619
122 H SER 21 H SER 21 2.205 -3.190 4.844
123 HA SER 21 HA SER 21 1.195 -3.899 2.235
124 HB2 SER 21 1HB SER 21 2.085 -6.152 4.038
125 HB3 SER 21 2HB SER 21 1.511 -6.258 2.374
126 HG SER 21 HG SER 21 4.014 -5.763 3.316
127 H PHE 22 H PHE 22 -0.927 -4.558 2.280
128 HA PHE 22 HA PHE 22 -2.173 -4.962 4.906
129 HB2 PHE 22 1HB PHE 22 -3.321 -3.142 2.782
130 HB3 PHE 22 2HB PHE 22 -3.980 -3.441 4.387
131 HD1 PHE 22 HD2 PHE 22 -1.011 -2.055 2.640
132 HD2 PHE 22 HD1 PHE 22 -3.385 -2.083 6.173
133 HE1 PHE 22 HE2 PHE 22 0.279 -0.153 3.518
134 HE2 PHE 22 HE1 PHE 22 -2.099 -0.180 7.057
135 HZ PHE 22 HZ PHE 22 -0.263 0.786 5.729
136 H SER 23 H SER 23 -3.868 -6.381 4.941
137 HA SER 23 HA SER 23 -4.060 -8.255 2.833
138 HB2 SER 23 1HB SER 23 -5.418 -7.837 5.449
139 HB3 SER 23 2HB SER 23 -6.225 -8.876 4.275
140 HG SER 23 HG SER 23 -4.734 -9.968 5.716
141 H PHE 24 H PHE 24 -5.884 -5.404 3.667
142 HA PHE 24 HA PHE 24 -7.635 -5.895 1.349
143 HB2 PHE 24 1HB PHE 24 -8.231 -4.664 4.024
144 HB3 PHE 24 2HB PHE 24 -9.205 -4.258 2.615
145 HD1 PHE 24 HD2 PHE 24 -7.815 -7.337 4.209
146 HD2 PHE 24 HD1 PHE 24 -11.155 -5.428 2.388
147 HE1 PHE 24 HE2 PHE 24 -9.163 -9.365 4.564
148 HE2 PHE 24 HE1 PHE 24 -12.509 -7.452 2.740
149 HZ PHE 24 HZ PHE 24 -11.513 -9.424 3.828
150 H ASN 25 H ASN 25 -7.960 -4.238 -0.094
151 HA ASN 25 HA ASN 25 -5.923 -2.379 -0.474
152 HB2 ASN 25 1HB ASN 25 -7.407 -3.138 -2.278
153 HB3 ASN 25 2HB ASN 25 -8.756 -2.285 -1.533
154 HD21 ASN 25 1HD2 ASN 25 -5.384 -1.505 -2.332
155 HD22 ASN 25 2HD2 ASN 25 -5.745 -0.030 -3.156
156 H SER 26 H SER 26 -9.277 -1.716 0.551
157 HA SER 26 HA SER 26 -9.309 0.908 1.004
158 HB2 SER 26 1HB SER 26 -10.679 0.465 3.087
159 HB3 SER 26 2HB SER 26 -11.214 -0.391 1.641
160 HG SER 26 HG SER 26 -9.747 -2.133 2.538
161 H GLN 27 H GLN 27 -7.699 -1.420 3.133
162 HA GLN 27 HA GLN 27 -6.884 0.391 5.113
163 HB2 GLN 27 1HB GLN 27 -5.480 -2.135 4.226
164 HB3 GLN 27 2HB GLN 27 -5.259 -1.311 5.763
165 HG2 GLN 27 1HG GLN 27 -7.734 -1.709 6.159
166 HG3 GLN 27 2HG GLN 27 -7.664 -2.811 4.785
167 HE21 GLN 27 1HE2 GLN 27 -5.615 -2.131 7.607
168 HE22 GLN 27 2HE2 GLN 27 -5.472 -3.777 8.111
169 H LEU 28 H LEU 28 -4.843 -1.047 2.561
170 HA LEU 28 HA LEU 28 -2.596 0.470 2.862
171 HB2 LEU 28 1HB LEU 28 -2.626 -1.325 1.300
172 HB3 LEU 28 2HB LEU 28 -3.886 -0.550 0.342
173 HG LEU 28 HG LEU 28 -2.314 1.152 -0.392
174 HD11 LEU 28 1HD1 LEU 28 -0.942 1.219 1.649
175 HD12 LEU 28 2HD1 LEU 28 0.032 1.059 0.188
176 HD13 LEU 28 3HD1 LEU 28 -0.249 -0.345 1.217
177 HD21 LEU 28 3HD2 LEU 28 -1.262 -1.657 -0.714
178 HD22 LEU 28 1HD2 LEU 28 -0.824 -0.279 -1.724
179 HD23 LEU 28 2HD2 LEU 28 -2.484 -0.873 -1.716
180 H ILE 29 H ILE 29 -5.625 1.421 1.391
181 HA ILE 29 HA ILE 29 -4.681 3.814 0.184
182 HB ILE 29 HB ILE 29 -7.504 3.287 1.102
183 HG12 ILE 29 1HG1 ILE 29 -6.273 1.491 -0.390
184 HG13 ILE 29 2HG1 ILE 29 -7.926 1.976 -0.749
185 HG21 ILE 29 1HG2 ILE 29 -6.338 5.013 -1.076
186 HG22 ILE 29 2HG2 ILE 29 -8.061 4.730 -0.833
187 HG23 ILE 29 3HG2 ILE 29 -7.121 5.559 0.407
188 HD11 ILE 29 3HD1 ILE 29 -7.095 3.523 -2.447
189 HD12 ILE 29 1HD1 ILE 29 -5.444 3.015 -2.094
190 HD13 ILE 29 2HD1 ILE 29 -6.596 1.862 -2.767
191 H VAL 30 H VAL 30 -6.244 3.105 3.286
192 HA VAL 30 HA VAL 30 -6.398 5.794 4.163
193 HB VAL 30 HB VAL 30 -6.341 3.244 5.783
194 HG11 VAL 30 1HG1 VAL 30 -5.881 4.811 7.392
195 HG12 VAL 30 2HG1 VAL 30 -6.718 6.104 6.530
196 HG13 VAL 30 3HG1 VAL 30 -7.643 4.869 7.385
197 HG21 VAL 30 3HG2 VAL 30 -8.883 4.543 5.692
198 HG22 VAL 30 1HG2 VAL 30 -8.296 4.304 4.046
199 HG23 VAL 30 2HG2 VAL 30 -8.444 2.927 5.139
200 H HIS 31 H HIS 31 -3.854 3.441 4.146
201 HA HIS 31 HA HIS 31 -2.244 4.788 6.122
202 HB2 HIS 31 1HB HIS 31 -1.802 2.505 6.081
203 HB3 HIS 31 2HB HIS 31 -1.861 2.422 4.323
204 HD1 HIS 31 HD1 HIS 31 0.393 3.764 7.065
205 HD2 HIS 31 HD2 HIS 31 0.575 2.490 3.115
206 HE1 HIS 31 HE1 HIS 31 2.838 3.742 6.478
207 H GLN 32 H GLN 32 -2.106 4.347 2.595
208 HA GLN 32 HA GLN 32 0.193 5.759 2.039
209 HB2 GLN 32 1HB GLN 32 -2.361 5.414 0.491
210 HB3 GLN 32 2HB GLN 32 -1.019 6.344 -0.161
211 HG2 GLN 32 1HG GLN 32 0.364 4.208 0.396
212 HG3 GLN 32 2HG GLN 32 -1.214 3.421 0.378
213 HE21 GLN 32 1HE2 GLN 32 -0.173 2.246 -1.417
214 HE22 GLN 32 2HE2 GLN 32 -0.277 2.923 -3.002
215 H ARG 33 H ARG 33 -2.881 6.951 3.079
216 HA ARG 33 HA ARG 33 -2.718 9.601 2.168
217 HB2 ARG 33 1HB ARG 33 -3.981 8.830 4.787
218 HB3 ARG 33 2HB ARG 33 -4.475 10.086 3.659
219 HG2 ARG 33 1HG ARG 33 -4.836 8.040 2.049
220 HG3 ARG 33 2HG ARG 33 -4.962 7.157 3.571
221 HD2 ARG 33 1HD ARG 33 -7.161 7.835 2.906
222 HD3 ARG 33 2HD ARG 33 -6.683 8.793 4.307
223 HE ARG 33 HE ARG 33 -5.976 10.405 2.303
224 HH11 ARG 33 1HH1 ARG 33 -8.900 8.600 2.866
225 HH12 ARG 33 2HH1 ARG 33 -9.915 9.735 2.039
226 HH21 ARG 33 1HH2 ARG 33 -7.302 11.907 1.211
227 HH22 ARG 33 2HH2 ARG 33 -9.004 11.615 1.097
228 H ILE 34 H ILE 34 -0.722 7.989 4.292
229 HA ILE 34 HA ILE 34 -0.141 10.248 6.015
230 HB ILE 34 HB ILE 34 1.319 8.848 7.204
231 HG12 ILE 34 1HG1 ILE 34 1.277 6.933 4.860
232 HG13 ILE 34 2HG1 ILE 34 2.596 8.033 5.247
233 HG21 ILE 34 1HG2 ILE 34 -0.605 7.947 7.931
234 HG22 ILE 34 2HG2 ILE 34 -1.210 7.669 6.299
235 HG23 ILE 34 3HG2 ILE 34 -0.078 6.529 7.026
236 HD11 ILE 34 3HD1 ILE 34 2.703 6.842 7.493
237 HD12 ILE 34 1HD1 ILE 34 1.678 5.613 6.752
238 HD13 ILE 34 2HD1 ILE 34 3.269 5.960 6.075
239 H HIS 35 H HIS 35 1.173 8.702 3.172
240 HA HIS 35 HA HIS 35 3.695 10.056 3.253
241 HB2 HIS 35 1HB HIS 35 2.278 8.579 1.028
242 HB3 HIS 35 2HB HIS 35 3.914 9.219 0.902
243 HD1 HIS 35 HD1 HIS 35 5.619 8.197 2.802
244 HD2 HIS 35 HD2 HIS 35 2.169 6.039 1.961
245 HE1 HIS 35 HE1 HIS 35 6.054 5.872 3.657
246 H THR 36 H THR 36 0.808 10.402 1.191
247 HA THR 36 HA THR 36 1.771 12.879 0.079
248 HB THR 36 HB THR 36 0.418 11.360 -1.293
249 HG1 THR 36 HG1 THR 36 -0.088 13.180 -2.233
250 HG21 THR 36 3HG2 THR 36 -1.756 11.998 0.700
251 HG22 THR 36 1HG2 THR 36 -1.057 10.417 0.358
252 HG23 THR 36 2HG2 THR 36 -2.036 11.230 -0.862
253 H GLY 37 H GLY 37 1.666 13.123 2.826
254 HA2 GLY 37 1HA GLY 37 -0.327 15.250 3.084
255 HA3 GLY 37 2HA GLY 37 -0.359 13.963 4.280
256 H GLU 38 H GLU 38 2.398 13.543 4.574
257 HA GLU 38 HA GLU 38 3.030 15.591 6.426
258 HB2 GLU 38 1HB GLU 38 3.840 13.379 6.845
259 HB3 GLU 38 2HB GLU 38 4.654 13.317 5.287
260 HG2 GLU 38 1HG GLU 38 6.151 15.138 6.058
261 HG3 GLU 38 2HG GLU 38 5.392 15.033 7.645
262 H ASN 39 H ASN 39 3.964 17.494 6.109
263 HA ASN 39 HA ASN 39 4.725 18.407 3.552
264 HB2 ASN 39 1HB ASN 39 5.498 20.429 4.714
265 HB3 ASN 39 2HB ASN 39 3.918 19.922 5.305
266 HD21 ASN 39 1HD2 ASN 39 6.264 21.462 6.458
267 HD22 ASN 39 2HD2 ASN 39 6.527 20.723 7.998
268 HA PRO 40 HA PRO 40 8.881 16.993 3.217
269 HB2 PRO 40 1HB PRO 40 9.812 18.823 1.442
270 HB3 PRO 40 2HB PRO 40 8.717 17.513 0.985
271 HG2 PRO 40 1HG PRO 40 8.098 20.384 1.565
272 HG3 PRO 40 2HG PRO 40 7.478 19.345 0.268
273 HD2 PRO 40 1HD PRO 40 6.058 19.879 2.511
274 HD3 PRO 40 2HD PRO 40 5.931 18.334 1.646
275 H SER 41 H SER 41 11.169 17.907 3.271
276 HA SER 41 HA SER 41 11.695 19.105 5.693
277 HB2 SER 41 1HB SER 41 13.959 19.700 4.618
278 HB3 SER 41 2HB SER 41 13.498 17.999 4.653
279 HG SER 41 HG SER 41 12.694 19.439 2.426
280 H GLY 42 H GLY 42 10.864 20.593 2.665
281 HA2 GLY 42 1HA GLY 42 10.339 23.098 3.904
282 HA3 GLY 42 2HA GLY 42 11.836 23.168 2.985
283 HA PRO 43 HA PRO 43 8.043 22.458 0.000
284 HB2 PRO 43 1HB PRO 43 5.756 23.596 0.918
285 HB3 PRO 43 2HB PRO 43 6.175 21.905 1.217
286 HG2 PRO 43 1HG PRO 43 6.482 24.280 3.014
287 HG3 PRO 43 2HG PRO 43 5.904 22.650 3.404
288 HD2 PRO 43 1HD PRO 43 8.425 23.472 3.953
289 HD3 PRO 43 2HD PRO 43 8.038 21.789 3.539
290 H SER 44 H SER 44 9.005 25.176 1.831
291 HA SER 44 HA SER 44 7.946 27.113 -0.067
292 HB2 SER 44 1HB SER 44 7.981 27.544 2.417
293 HB3 SER 44 2HB SER 44 9.739 27.631 2.314
294 HG SER 44 HG SER 44 9.011 29.698 2.107
295 H SER 45 H SER 45 9.200 26.201 -1.857
296 HA SER 45 HA SER 45 11.571 27.705 -2.321
297 HB2 SER 45 1HB SER 45 12.231 25.590 -0.885
298 HB3 SER 45 2HB SER 45 12.113 24.764 -2.439
299 HG SER 45 HG SER 45 13.529 26.597 -3.177
300 H GLY 46 H GLY 46 12.251 27.631 -4.498
301 HA2 GLY 46 1HA GLY 46 10.192 26.575 -6.292
302 HA3 GLY 46 2HA GLY 46 11.397 27.788 -6.700
Start of MODEL 19
1 H1 GLY 1 H GLY 1 23.958 -0.790 1.175
2 HA2 GLY 1 1HA GLY 1 25.182 -3.419 1.110
3 HA3 GLY 1 2HA GLY 1 25.208 -2.631 2.681
4 H SER 2 H SER 2 23.945 -4.931 2.674
5 HA SER 2 HA SER 2 21.437 -5.384 1.875
6 HB2 SER 2 1HB SER 2 22.776 -5.871 4.496
7 HB3 SER 2 2HB SER 2 21.042 -6.175 4.385
8 HG SER 2 HG SER 2 21.539 -7.970 3.439
9 H SER 3 H SER 3 19.693 -4.158 1.711
10 HA SER 3 HA SER 3 19.209 -2.099 3.758
11 HB2 SER 3 1HB SER 3 19.505 -1.433 1.301
12 HB3 SER 3 2HB SER 3 17.933 -2.183 1.025
13 HG SER 3 HG SER 3 17.505 -0.677 3.051
14 H GLY 4 H GLY 4 18.513 -4.730 4.351
15 HA2 GLY 4 1HA GLY 4 16.311 -4.935 5.614
16 HA3 GLY 4 2HA GLY 4 15.580 -4.740 4.028
17 H SER 5 H SER 5 14.639 -6.861 4.898
18 HA SER 5 HA SER 5 16.400 -9.088 4.103
19 HB2 SER 5 1HB SER 5 15.185 -10.523 5.618
20 HB3 SER 5 2HB SER 5 15.689 -9.087 6.508
21 HG SER 5 HG SER 5 13.398 -8.406 5.630
22 H SER 6 H SER 6 15.076 -11.049 3.357
23 HA SER 6 HA SER 6 13.098 -10.089 1.405
24 HB2 SER 6 1HB SER 6 14.890 -11.109 0.247
25 HB3 SER 6 2HB SER 6 14.986 -12.440 1.400
26 HG SER 6 HG SER 6 13.569 -12.297 -0.850
27 H GLY 7 H GLY 7 11.184 -11.282 1.030
28 HA2 GLY 7 1HA GLY 7 9.487 -12.795 1.528
29 HA3 GLY 7 2HA GLY 7 10.511 -13.491 2.775
30 H THR 8 H THR 8 9.313 -10.178 2.282
31 HA THR 8 HA THR 8 7.865 -10.396 4.832
32 HB THR 8 HB THR 8 8.572 -8.048 5.363
33 HG1 THR 8 HG1 THR 8 10.199 -8.533 3.095
34 HG21 THR 8 3HG2 THR 8 9.920 -9.172 6.740
35 HG22 THR 8 1HG2 THR 8 11.173 -9.072 5.504
36 HG23 THR 8 2HG2 THR 8 10.111 -10.478 5.571
37 H GLY 9 H GLY 9 5.990 -9.174 5.003
38 HA2 GLY 9 1HA GLY 9 4.220 -7.862 4.311
39 HA3 GLY 9 2HA GLY 9 5.240 -7.244 3.021
40 H GLU 10 H GLU 10 3.689 -10.327 3.930
41 HA GLU 10 HA GLU 10 3.238 -10.911 1.112
42 HB2 GLU 10 1HB GLU 10 4.035 -12.584 2.942
43 HB3 GLU 10 2HB GLU 10 2.333 -12.660 3.375
44 HG2 GLU 10 1HG GLU 10 1.750 -13.461 1.195
45 HG3 GLU 10 2HG GLU 10 3.398 -13.218 0.618
46 H LYS 11 H LYS 11 1.724 -9.087 0.912
47 HA LYS 11 HA LYS 11 -0.996 -9.962 1.564
48 HB2 LYS 11 1HB LYS 11 -0.154 -7.081 1.847
49 HB3 LYS 11 2HB LYS 11 -1.672 -7.817 2.343
50 HG2 LYS 11 1HG LYS 11 0.932 -8.666 3.555
51 HG3 LYS 11 2HG LYS 11 0.054 -7.253 4.147
52 HD2 LYS 11 1HD LYS 11 -1.964 -8.784 4.359
53 HD3 LYS 11 2HD LYS 11 -0.844 -10.125 4.106
54 HE2 LYS 11 1HE LYS 11 -0.205 -8.088 6.185
55 HE3 LYS 11 2HE LYS 11 -1.449 -9.289 6.528
56 HZ1 LYS 11 3HZ LYS 11 0.697 -10.661 5.440
57 HZ2 LYS 11 1HZ LYS 11 0.166 -10.690 7.046
58 HZ3 LYS 11 2HZ LYS 11 1.358 -9.589 6.569
59 HA PRO 12 HA PRO 12 -1.897 -8.939 -2.611
60 HB2 PRO 12 1HB PRO 12 -4.520 -8.264 -2.420
61 HB3 PRO 12 2HB PRO 12 -3.944 -9.929 -2.282
62 HG2 PRO 12 1HG PRO 12 -4.679 -7.994 -0.119
63 HG3 PRO 12 2HG PRO 12 -5.066 -9.719 -0.256
64 HD2 PRO 12 1HD PRO 12 -3.064 -8.795 1.316
65 HD3 PRO 12 2HD PRO 12 -2.992 -10.374 0.506
66 H HIS 13 H HIS 13 -1.514 -6.658 -0.302
67 HA HIS 13 HA HIS 13 -1.700 -4.499 -2.246
68 HB2 HIS 13 1HB HIS 13 -3.091 -4.403 0.439
69 HB3 HIS 13 2HB HIS 13 -2.874 -3.019 -0.629
70 HD2 HIS 13 HD2 HIS 13 -5.419 -5.720 0.035
71 HE1 HIS 13 HE1 HIS 13 -6.255 -4.262 -3.860
72 HE2 HIS 13 HE2 HIS 13 -7.125 -5.589 -1.905
73 H GLU 14 H GLU 14 0.392 -3.939 -2.262
74 HA GLU 14 HA GLU 14 1.747 -3.545 0.322
75 HB2 GLU 14 1HB GLU 14 2.617 -5.136 -1.612
76 HB3 GLU 14 2HB GLU 14 3.257 -3.628 -2.250
77 HG2 GLU 14 1HG GLU 14 4.658 -3.305 -0.411
78 HG3 GLU 14 2HG GLU 14 3.781 -4.475 0.574
79 H CYS 15 H CYS 15 2.963 -1.665 0.678
80 HA CYS 15 HA CYS 15 2.031 0.637 -0.862
81 HB2 CYS 15 1HB CYS 15 1.861 0.562 1.659
82 HB3 CYS 15 2HB CYS 15 3.619 0.653 1.708
83 H ARG 16 H ARG 16 3.256 1.286 -2.496
84 HA ARG 16 HA ARG 16 6.010 0.567 -2.744
85 HB2 ARG 16 1HB ARG 16 4.032 2.084 -4.366
86 HB3 ARG 16 2HB ARG 16 5.736 2.392 -4.676
87 HG2 ARG 16 1HG ARG 16 4.729 -0.416 -4.589
88 HG3 ARG 16 2HG ARG 16 4.476 0.572 -6.029
89 HD2 ARG 16 1HD ARG 16 6.960 1.048 -5.977
90 HD3 ARG 16 2HD ARG 16 7.085 -0.216 -4.754
91 HE ARG 16 HE ARG 16 6.731 -1.805 -6.386
92 HH11 ARG 16 1HH1 ARG 16 6.132 1.377 -7.666
93 HH12 ARG 16 2HH1 ARG 16 6.049 0.841 -9.312
94 HH21 ARG 16 1HH2 ARG 16 6.624 -2.522 -8.549
95 HH22 ARG 16 2HH2 ARG 16 6.329 -1.377 -9.813
96 H GLU 17 H GLU 17 4.432 3.005 -1.069
97 HA GLU 17 HA GLU 17 6.347 5.104 -1.406
98 HB2 GLU 17 1HB GLU 17 4.317 4.706 0.798
99 HB3 GLU 17 2HB GLU 17 5.178 6.196 0.440
100 HG2 GLU 17 1HG GLU 17 3.297 4.827 -1.467
101 HG3 GLU 17 2HG GLU 17 2.841 6.142 -0.386
102 H CYS 18 H CYS 18 5.646 2.825 1.240
103 HA CYS 18 HA CYS 18 8.377 3.298 2.243
104 HB2 CYS 18 1HB CYS 18 7.535 2.680 4.476
105 HB3 CYS 18 2HB CYS 18 6.695 4.084 3.826
106 H GLY 19 H GLY 19 5.828 0.874 1.805
107 HA2 GLY 19 1HA GLY 19 6.688 -1.219 0.716
108 HA3 GLY 19 2HA GLY 19 7.915 -1.212 1.974
109 H LYS 20 H LYS 20 4.848 -0.142 2.993
110 HA LYS 20 HA LYS 20 4.564 -2.300 4.820
111 HB2 LYS 20 1HB LYS 20 2.999 0.135 4.122
112 HB3 LYS 20 2HB LYS 20 2.163 -1.150 4.984
113 HG2 LYS 20 1HG LYS 20 4.307 -0.997 6.533
114 HG3 LYS 20 2HG LYS 20 4.338 0.647 5.891
115 HD2 LYS 20 1HD LYS 20 3.042 0.851 7.812
116 HD3 LYS 20 2HD LYS 20 1.837 0.702 6.530
117 HE2 LYS 20 1HE LYS 20 1.173 -0.707 8.346
118 HE3 LYS 20 2HE LYS 20 1.716 -1.737 7.023
119 HZ1 LYS 20 3HZ LYS 20 3.981 -1.473 8.361
120 HZ2 LYS 20 1HZ LYS 20 2.866 -2.703 8.686
121 HZ3 LYS 20 2HZ LYS 20 2.896 -1.313 9.649
122 H SER 21 H SER 21 2.347 -3.427 5.007
123 HA SER 21 HA SER 21 1.266 -4.176 2.395
124 HB2 SER 21 1HB SER 21 1.492 -6.555 2.837
125 HB3 SER 21 2HB SER 21 3.080 -5.795 2.929
126 HG SER 21 HG SER 21 1.448 -6.277 5.195
127 H PHE 22 H PHE 22 -0.875 -4.633 2.415
128 HA PHE 22 HA PHE 22 -2.200 -4.934 5.020
129 HB2 PHE 22 1HB PHE 22 -3.245 -3.180 2.790
130 HB3 PHE 22 2HB PHE 22 -3.941 -3.382 4.395
131 HD1 PHE 22 HD2 PHE 22 -0.883 -2.189 2.656
132 HD2 PHE 22 HD1 PHE 22 -3.356 -1.937 6.110
133 HE1 PHE 22 HE2 PHE 22 0.449 -0.285 3.466
134 HE2 PHE 22 HE1 PHE 22 -2.029 -0.032 6.926
135 HZ PHE 22 HZ PHE 22 -0.123 0.795 5.604
136 H SER 23 H SER 23 -3.656 -6.528 5.093
137 HA SER 23 HA SER 23 -3.927 -8.398 3.053
138 HB2 SER 23 1HB SER 23 -5.981 -9.151 4.396
139 HB3 SER 23 2HB SER 23 -4.434 -9.129 5.242
140 HG SER 23 HG SER 23 -5.932 -6.794 5.339
141 H PHE 24 H PHE 24 -5.721 -5.485 3.693
142 HA PHE 24 HA PHE 24 -7.405 -6.054 1.343
143 HB2 PHE 24 1HB PHE 24 -8.101 -4.703 3.941
144 HB3 PHE 24 2HB PHE 24 -9.039 -4.411 2.479
145 HD1 PHE 24 HD2 PHE 24 -7.744 -7.224 4.551
146 HD2 PHE 24 HD1 PHE 24 -10.844 -5.762 2.027
147 HE1 PHE 24 HE2 PHE 24 -9.058 -9.257 4.993
148 HE2 PHE 24 HE1 PHE 24 -12.164 -7.792 2.467
149 HZ PHE 24 HZ PHE 24 -11.270 -9.543 3.950
150 H ASN 25 H ASN 25 -7.964 -4.250 0.016
151 HA ASN 25 HA ASN 25 -5.814 -2.453 -0.408
152 HB2 ASN 25 1HB ASN 25 -7.666 -3.403 -2.044
153 HB3 ASN 25 2HB ASN 25 -8.508 -1.925 -1.586
154 HD21 ASN 25 1HD2 ASN 25 -6.501 -0.126 -1.371
155 HD22 ASN 25 2HD2 ASN 25 -5.733 0.099 -2.902
156 H SER 26 H SER 26 -9.211 -1.787 0.463
157 HA SER 26 HA SER 26 -9.266 0.841 0.882
158 HB2 SER 26 1HB SER 26 -10.767 0.459 2.847
159 HB3 SER 26 2HB SER 26 -11.176 -0.532 1.447
160 HG SER 26 HG SER 26 -10.227 -1.276 3.932
161 H GLN 27 H GLN 27 -7.632 -1.453 3.002
162 HA GLN 27 HA GLN 27 -6.944 0.377 5.037
163 HB2 GLN 27 1HB GLN 27 -5.463 -2.128 4.223
164 HB3 GLN 27 2HB GLN 27 -5.349 -1.304 5.772
165 HG2 GLN 27 1HG GLN 27 -7.719 -1.804 6.189
166 HG3 GLN 27 2HG GLN 27 -7.782 -2.683 4.662
167 HE21 GLN 27 1HE2 GLN 27 -5.386 -2.574 7.272
168 HE22 GLN 27 2HE2 GLN 27 -5.382 -4.275 7.573
169 H LEU 28 H LEU 28 -4.779 -1.072 2.597
170 HA LEU 28 HA LEU 28 -2.567 0.469 2.955
171 HB2 LEU 28 1HB LEU 28 -2.496 -1.316 1.403
172 HB3 LEU 28 2HB LEU 28 -3.768 -0.600 0.416
173 HG LEU 28 HG LEU 28 -2.224 1.178 -0.271
174 HD11 LEU 28 1HD1 LEU 28 -0.142 -0.363 1.270
175 HD12 LEU 28 2HD1 LEU 28 -0.832 1.183 1.760
176 HD13 LEU 28 3HD1 LEU 28 0.126 1.074 0.284
177 HD21 LEU 28 3HD2 LEU 28 -2.431 -0.912 -1.576
178 HD22 LEU 28 1HD2 LEU 28 -1.057 -1.571 -0.689
179 HD23 LEU 28 2HD2 LEU 28 -0.842 -0.161 -1.726
180 H ILE 29 H ILE 29 -5.559 1.404 1.415
181 HA ILE 29 HA ILE 29 -4.599 3.788 0.203
182 HB ILE 29 HB ILE 29 -7.435 3.263 1.082
183 HG12 ILE 29 1HG1 ILE 29 -6.180 1.459 -0.377
184 HG13 ILE 29 2HG1 ILE 29 -7.827 1.941 -0.768
185 HG21 ILE 29 1HG2 ILE 29 -6.172 5.046 -0.983
186 HG22 ILE 29 2HG2 ILE 29 -7.890 4.651 -0.987
187 HG23 ILE 29 3HG2 ILE 29 -7.186 5.504 0.386
188 HD11 ILE 29 3HD1 ILE 29 -5.305 2.909 -2.089
189 HD12 ILE 29 1HD1 ILE 29 -6.521 1.833 -2.776
190 HD13 ILE 29 2HD1 ILE 29 -6.923 3.517 -2.438
191 H VAL 30 H VAL 30 -6.181 3.091 3.296
192 HA VAL 30 HA VAL 30 -6.371 5.785 4.150
193 HB VAL 30 HB VAL 30 -6.328 3.230 5.759
194 HG11 VAL 30 1HG1 VAL 30 -5.754 4.854 7.324
195 HG12 VAL 30 2HG1 VAL 30 -6.763 6.084 6.561
196 HG13 VAL 30 3HG1 VAL 30 -7.510 4.763 7.460
197 HG21 VAL 30 3HG2 VAL 30 -8.850 4.167 5.913
198 HG22 VAL 30 1HG2 VAL 30 -8.404 4.731 4.303
199 HG23 VAL 30 2HG2 VAL 30 -8.308 3.014 4.694
200 H HIS 31 H HIS 31 -3.803 3.461 4.167
201 HA HIS 31 HA HIS 31 -2.221 4.853 6.139
202 HB2 HIS 31 1HB HIS 31 -1.756 2.579 6.162
203 HB3 HIS 31 2HB HIS 31 -1.822 2.442 4.408
204 HD1 HIS 31 HD1 HIS 31 0.443 3.808 7.121
205 HD2 HIS 31 HD2 HIS 31 0.603 2.550 3.164
206 HE1 HIS 31 HE1 HIS 31 2.884 3.796 6.517
207 H GLN 32 H GLN 32 -2.065 4.342 2.623
208 HA GLN 32 HA GLN 32 0.238 5.741 2.048
209 HB2 GLN 32 1HB GLN 32 -2.298 5.280 0.521
210 HB3 GLN 32 2HB GLN 32 -1.053 6.324 -0.151
211 HG2 GLN 32 1HG GLN 32 0.518 4.310 0.358
212 HG3 GLN 32 2HG GLN 32 -0.987 3.392 0.369
213 HE21 GLN 32 1HE2 GLN 32 -0.120 2.265 -1.459
214 HE22 GLN 32 2HE2 GLN 32 -0.229 2.961 -3.036
215 H ARG 33 H ARG 33 -2.834 6.955 3.062
216 HA ARG 33 HA ARG 33 -2.666 9.589 2.102
217 HB2 ARG 33 1HB ARG 33 -3.927 8.965 4.747
218 HB3 ARG 33 2HB ARG 33 -4.466 10.073 3.493
219 HG2 ARG 33 1HG ARG 33 -4.894 8.008 2.072
220 HG3 ARG 33 2HG ARG 33 -4.693 7.084 3.562
221 HD2 ARG 33 1HD ARG 33 -6.717 9.259 3.046
222 HD3 ARG 33 2HD ARG 33 -7.040 7.531 3.176
223 HE ARG 33 HE ARG 33 -5.789 8.679 5.503
224 HH11 ARG 33 1HH1 ARG 33 -8.799 7.980 3.898
225 HH12 ARG 33 2HH1 ARG 33 -9.731 7.995 5.359
226 HH21 ARG 33 1HH2 ARG 33 -7.006 8.701 7.432
227 HH22 ARG 33 2HH2 ARG 33 -8.710 8.406 7.368
228 H ILE 34 H ILE 34 -0.680 8.012 4.263
229 HA ILE 34 HA ILE 34 -0.098 10.305 5.940
230 HB ILE 34 HB ILE 34 1.343 8.925 7.172
231 HG12 ILE 34 1HG1 ILE 34 1.315 6.965 4.866
232 HG13 ILE 34 2HG1 ILE 34 2.637 8.062 5.251
233 HG21 ILE 34 1HG2 ILE 34 -0.575 8.032 7.913
234 HG22 ILE 34 2HG2 ILE 34 -1.190 7.756 6.284
235 HG23 ILE 34 3HG2 ILE 34 -0.070 6.603 7.011
236 HD11 ILE 34 3HD1 ILE 34 3.288 6.002 6.124
237 HD12 ILE 34 1HD1 ILE 34 2.702 6.907 7.519
238 HD13 ILE 34 2HD1 ILE 34 1.685 5.670 6.779
239 H HIS 35 H HIS 35 1.123 8.796 3.068
240 HA HIS 35 HA HIS 35 3.683 10.121 3.155
241 HB2 HIS 35 1HB HIS 35 2.297 8.556 0.971
242 HB3 HIS 35 2HB HIS 35 3.930 9.201 0.840
243 HD1 HIS 35 HD1 HIS 35 5.603 8.269 2.831
244 HD2 HIS 35 HD2 HIS 35 2.212 6.036 1.950
245 HE1 HIS 35 HE1 HIS 35 6.049 5.975 3.759
246 H THR 36 H THR 36 0.554 10.643 1.667
247 HA THR 36 HA THR 36 1.555 12.952 0.185
248 HB THR 36 HB THR 36 0.057 11.516 -1.052
249 HG1 THR 36 HG1 THR 36 -1.054 13.164 -1.860
250 HG21 THR 36 3HG2 THR 36 -1.296 10.373 0.420
251 HG22 THR 36 1HG2 THR 36 -2.429 11.575 -0.196
252 HG23 THR 36 2HG2 THR 36 -1.658 11.811 1.373
253 H GLY 37 H GLY 37 1.929 13.680 2.628
254 HA2 GLY 37 1HA GLY 37 0.645 15.999 3.114
255 HA3 GLY 37 2HA GLY 37 -0.433 14.824 3.854
256 H GLU 38 H GLU 38 3.063 14.509 3.753
257 HA GLU 38 HA GLU 38 3.273 15.316 6.552
258 HB2 GLU 38 1HB GLU 38 3.703 12.552 5.501
259 HB3 GLU 38 2HB GLU 38 4.737 13.132 6.799
260 HG2 GLU 38 1HG GLU 38 2.520 13.759 7.966
261 HG3 GLU 38 2HG GLU 38 1.791 12.647 6.810
262 H ASN 39 H ASN 39 4.934 16.655 6.709
263 HA ASN 39 HA ASN 39 6.952 16.755 4.646
264 HB2 ASN 39 1HB ASN 39 6.423 18.904 5.295
265 HB3 ASN 39 2HB ASN 39 6.195 18.452 6.982
266 HD21 ASN 39 1HD2 ASN 39 7.505 19.946 7.893
267 HD22 ASN 39 2HD2 ASN 39 9.215 20.007 7.652
268 HA PRO 40 HA PRO 40 9.814 14.112 6.743
269 HB2 PRO 40 1HB PRO 40 11.993 14.702 5.234
270 HB3 PRO 40 2HB PRO 40 10.678 13.668 4.660
271 HG2 PRO 40 1HG PRO 40 11.187 16.567 4.111
272 HG3 PRO 40 2HG PRO 40 10.678 15.288 2.992
273 HD2 PRO 40 1HD PRO 40 8.940 17.075 4.050
274 HD3 PRO 40 2HD PRO 40 8.475 15.407 3.661
275 H SER 41 H SER 41 10.919 17.395 5.892
276 HA SER 41 HA SER 41 12.045 17.633 8.595
277 HB2 SER 41 1HB SER 41 13.428 18.137 5.975
278 HB3 SER 41 2HB SER 41 13.906 19.028 7.420
279 HG SER 41 HG SER 41 13.648 16.284 7.709
280 H GLY 42 H GLY 42 11.548 19.555 5.624
281 HA2 GLY 42 1HA GLY 42 10.274 21.614 7.318
282 HA3 GLY 42 2HA GLY 42 11.405 22.035 6.039
283 HA PRO 43 HA PRO 43 8.177 22.257 3.090
284 HB2 PRO 43 1HB PRO 43 9.253 21.089 0.888
285 HB3 PRO 43 2HB PRO 43 9.768 22.670 1.485
286 HG2 PRO 43 1HG PRO 43 11.045 19.990 1.873
287 HG3 PRO 43 2HG PRO 43 11.805 21.548 1.498
288 HD2 PRO 43 1HD PRO 43 11.771 20.508 3.998
289 HD3 PRO 43 2HD PRO 43 11.728 22.256 3.690
290 H SER 44 H SER 44 6.733 21.011 1.644
291 HA SER 44 HA SER 44 6.214 18.379 2.792
292 HB2 SER 44 1HB SER 44 4.487 20.347 2.379
293 HB3 SER 44 2HB SER 44 4.399 19.626 0.772
294 HG SER 44 HG SER 44 3.767 18.465 3.267
295 H SER 45 H SER 45 5.240 16.752 1.171
296 HA SER 45 HA SER 45 7.225 16.380 -0.924
297 HB2 SER 45 1HB SER 45 5.093 14.564 0.214
298 HB3 SER 45 2HB SER 45 6.140 14.108 -1.130
299 HG SER 45 HG SER 45 6.770 14.511 1.570
300 H GLY 46 H GLY 46 3.669 16.124 -0.691
301 HA2 GLY 46 1HA GLY 46 3.521 17.186 -3.438
302 HA3 GLY 46 2HA GLY 46 2.616 15.748 -2.991
Start of MODEL 20
1 H1 GLY 1 H GLY 1 31.280 -4.846 -1.392
2 HA2 GLY 1 1HA GLY 1 30.749 -6.187 0.649
3 HA3 GLY 1 2HA GLY 1 30.755 -4.656 1.511
4 H SER 2 H SER 2 29.075 -6.548 -0.942
5 HA SER 2 HA SER 2 26.671 -4.916 -0.442
6 HB2 SER 2 1HB SER 2 27.651 -6.267 -2.948
7 HB3 SER 2 2HB SER 2 25.949 -5.853 -2.740
8 HG SER 2 HG SER 2 26.429 -3.756 -2.810
9 H SER 3 H SER 3 24.624 -6.259 -1.093
10 HA SER 3 HA SER 3 24.682 -9.067 -0.676
11 HB2 SER 3 1HB SER 3 25.164 -8.241 1.647
12 HB3 SER 3 2HB SER 3 23.585 -7.456 1.638
13 HG SER 3 HG SER 3 23.057 -9.353 2.454
14 H GLY 4 H GLY 4 22.487 -9.998 -0.557
15 HA2 GLY 4 1HA GLY 4 20.499 -8.155 -1.735
16 HA3 GLY 4 2HA GLY 4 20.693 -9.821 -2.259
17 H SER 5 H SER 5 19.933 -7.883 0.622
18 HA SER 5 HA SER 5 18.842 -9.954 2.155
19 HB2 SER 5 1HB SER 5 18.603 -6.976 2.167
20 HB3 SER 5 2HB SER 5 17.473 -7.910 3.146
21 HG SER 5 HG SER 5 19.299 -7.418 4.365
22 H SER 6 H SER 6 16.471 -9.993 2.835
23 HA SER 6 HA SER 6 14.525 -9.287 0.843
24 HB2 SER 6 1HB SER 6 15.601 -11.383 -0.073
25 HB3 SER 6 2HB SER 6 14.970 -12.238 1.335
26 HG SER 6 HG SER 6 12.993 -12.105 0.551
27 H GLY 7 H GLY 7 12.487 -9.210 1.677
28 HA2 GLY 7 1HA GLY 7 11.233 -10.644 3.576
29 HA3 GLY 7 2HA GLY 7 12.258 -9.592 4.541
30 H THR 8 H THR 8 9.485 -9.779 2.455
31 HA THR 8 HA THR 8 8.739 -7.059 3.296
32 HB THR 8 HB THR 8 7.588 -6.771 1.093
33 HG1 THR 8 HG1 THR 8 9.171 -8.614 -0.181
34 HG21 THR 8 3HG2 THR 8 9.442 -5.850 0.103
35 HG22 THR 8 1HG2 THR 8 10.464 -7.238 0.471
36 HG23 THR 8 2HG2 THR 8 10.056 -6.082 1.739
37 H GLY 9 H GLY 9 6.500 -6.678 3.565
38 HA2 GLY 9 1HA GLY 9 5.001 -8.487 4.890
39 HA3 GLY 9 2HA GLY 9 4.276 -7.233 3.895
40 H GLU 10 H GLU 10 3.070 -9.717 4.341
41 HA GLU 10 HA GLU 10 3.285 -10.960 1.677
42 HB2 GLU 10 1HB GLU 10 2.421 -13.038 2.746
43 HB3 GLU 10 2HB GLU 10 3.999 -12.542 3.341
44 HG2 GLU 10 1HG GLU 10 3.011 -13.021 5.317
45 HG3 GLU 10 2HG GLU 10 2.524 -11.333 5.172
46 H LYS 11 H LYS 11 1.733 -8.813 1.729
47 HA LYS 11 HA LYS 11 -1.013 -9.867 1.918
48 HB2 LYS 11 1HB LYS 11 -0.390 -6.933 1.991
49 HB3 LYS 11 2HB LYS 11 -1.815 -7.776 2.584
50 HG2 LYS 11 1HG LYS 11 0.928 -7.951 3.813
51 HG3 LYS 11 2HG LYS 11 -0.383 -6.920 4.390
52 HD2 LYS 11 1HD LYS 11 -1.766 -9.035 4.601
53 HD3 LYS 11 2HD LYS 11 -0.265 -9.927 4.344
54 HE2 LYS 11 1HE LYS 11 -0.563 -9.784 6.687
55 HE3 LYS 11 2HE LYS 11 0.699 -8.624 6.276
56 HZ1 LYS 11 3HZ LYS 11 -0.738 -7.531 7.756
57 HZ2 LYS 11 1HZ LYS 11 -2.129 -8.070 6.955
58 HZ3 LYS 11 2HZ LYS 11 -1.129 -6.914 6.230
59 HA PRO 12 HA PRO 12 -1.523 -9.165 -2.386
60 HB2 PRO 12 1HB PRO 12 -4.157 -8.517 -2.501
61 HB3 PRO 12 2HB PRO 12 -3.585 -10.158 -2.181
62 HG2 PRO 12 1HG PRO 12 -4.541 -8.076 -0.254
63 HG3 PRO 12 2HG PRO 12 -4.900 -9.812 -0.294
64 HD2 PRO 12 1HD PRO 12 -3.067 -8.743 1.387
65 HD3 PRO 12 2HD PRO 12 -2.905 -10.377 0.712
66 H HIS 13 H HIS 13 -1.405 -6.709 -0.225
67 HA HIS 13 HA HIS 13 -1.456 -4.703 -2.345
68 HB2 HIS 13 1HB HIS 13 -3.004 -4.452 0.241
69 HB3 HIS 13 2HB HIS 13 -2.710 -3.121 -0.874
70 HD2 HIS 13 HD2 HIS 13 -5.309 -5.777 -0.252
71 HE1 HIS 13 HE1 HIS 13 -5.874 -4.513 -4.262
72 HE2 HIS 13 HE2 HIS 13 -6.881 -5.738 -2.306
73 H GLU 14 H GLU 14 0.631 -4.126 -2.292
74 HA GLU 14 HA GLU 14 1.887 -3.617 0.315
75 HB2 GLU 14 1HB GLU 14 2.862 -5.158 -1.608
76 HB3 GLU 14 2HB GLU 14 3.450 -3.621 -2.226
77 HG2 GLU 14 1HG GLU 14 4.731 -3.225 -0.272
78 HG3 GLU 14 2HG GLU 14 3.968 -4.569 0.577
79 H CYS 15 H CYS 15 2.909 -1.673 0.761
80 HA CYS 15 HA CYS 15 1.890 0.600 -0.726
81 HB2 CYS 15 1HB CYS 15 1.960 0.412 1.827
82 HB3 CYS 15 2HB CYS 15 3.690 0.706 1.689
83 H ARG 16 H ARG 16 2.968 1.365 -2.411
84 HA ARG 16 HA ARG 16 5.690 0.724 -2.940
85 HB2 ARG 16 1HB ARG 16 4.419 1.040 -4.867
86 HB3 ARG 16 2HB ARG 16 3.643 2.487 -4.237
87 HG2 ARG 16 1HG ARG 16 5.449 3.837 -4.746
88 HG3 ARG 16 2HG ARG 16 6.577 2.481 -4.794
89 HD2 ARG 16 1HD ARG 16 6.347 2.844 -7.031
90 HD3 ARG 16 2HD ARG 16 5.007 1.725 -6.787
91 HE ARG 16 HE ARG 16 3.802 4.078 -6.426
92 HH11 ARG 16 1HH1 ARG 16 5.998 2.984 -8.896
93 HH12 ARG 16 2HH1 ARG 16 5.332 4.007 -10.125
94 HH21 ARG 16 1HH2 ARG 16 2.916 5.430 -8.035
95 HH22 ARG 16 2HH2 ARG 16 3.579 5.399 -9.634
96 H GLU 17 H GLU 17 4.179 3.152 -1.093
97 HA GLU 17 HA GLU 17 6.113 5.215 -1.383
98 HB2 GLU 17 1HB GLU 17 4.125 4.655 0.823
99 HB3 GLU 17 2HB GLU 17 5.099 6.114 0.715
100 HG2 GLU 17 1HG GLU 17 3.269 5.264 -1.501
101 HG3 GLU 17 2HG GLU 17 2.706 6.226 -0.136
102 H CYS 18 H CYS 18 5.539 2.857 1.230
103 HA CYS 18 HA CYS 18 8.342 3.237 2.059
104 HB2 CYS 18 1HB CYS 18 7.583 2.398 4.294
105 HB3 CYS 18 2HB CYS 18 6.865 3.934 3.822
106 H GLY 19 H GLY 19 5.771 0.862 1.551
107 HA2 GLY 19 1HA GLY 19 6.612 -1.158 0.306
108 HA3 GLY 19 2HA GLY 19 7.836 -1.252 1.564
109 H LYS 20 H LYS 20 5.212 -0.197 3.148
110 HA LYS 20 HA LYS 20 4.778 -2.473 4.640
111 HB2 LYS 20 1HB LYS 20 3.238 0.023 4.153
112 HB3 LYS 20 2HB LYS 20 2.386 -1.307 4.926
113 HG2 LYS 20 1HG LYS 20 4.492 -1.341 6.486
114 HG3 LYS 20 2HG LYS 20 4.667 0.324 5.924
115 HD2 LYS 20 1HD LYS 20 3.340 0.671 7.753
116 HD3 LYS 20 2HD LYS 20 2.094 0.420 6.529
117 HE2 LYS 20 1HE LYS 20 3.144 -1.956 7.976
118 HE3 LYS 20 2HE LYS 20 2.062 -0.866 8.843
119 HZ1 LYS 20 3HZ LYS 20 1.376 -2.858 7.030
120 HZ2 LYS 20 1HZ LYS 20 1.008 -1.384 6.286
121 HZ3 LYS 20 2HZ LYS 20 0.346 -1.757 7.797
122 H SER 21 H SER 21 2.283 -3.298 4.794
123 HA SER 21 HA SER 21 1.201 -3.952 2.191
124 HB2 SER 21 1HB SER 21 2.025 -6.242 3.975
125 HB3 SER 21 2HB SER 21 1.483 -6.306 2.298
126 HG SER 21 HG SER 21 3.891 -5.101 3.200
127 H PHE 22 H PHE 22 -0.927 -4.648 2.265
128 HA PHE 22 HA PHE 22 -2.150 -4.957 4.913
129 HB2 PHE 22 1HB PHE 22 -3.269 -3.178 2.737
130 HB3 PHE 22 2HB PHE 22 -3.978 -3.461 4.324
131 HD1 PHE 22 HD2 PHE 22 -0.942 -2.109 2.666
132 HD2 PHE 22 HD1 PHE 22 -3.449 -2.074 6.105
133 HE1 PHE 22 HE2 PHE 22 0.325 -0.201 3.566
134 HE2 PHE 22 HE1 PHE 22 -2.187 -0.166 7.010
135 HZ PHE 22 HZ PHE 22 -0.297 0.773 5.741
136 H SER 23 H SER 23 -3.904 -6.321 5.000
137 HA SER 23 HA SER 23 -4.093 -8.318 3.022
138 HB2 SER 23 1HB SER 23 -5.553 -7.662 5.533
139 HB3 SER 23 2HB SER 23 -6.342 -8.759 4.401
140 HG SER 23 HG SER 23 -5.101 -10.224 5.236
141 H PHE 24 H PHE 24 -5.923 -5.394 3.617
142 HA PHE 24 HA PHE 24 -7.490 -5.948 1.185
143 HB2 PHE 24 1HB PHE 24 -8.333 -4.737 3.800
144 HB3 PHE 24 2HB PHE 24 -9.186 -4.325 2.316
145 HD1 PHE 24 HD2 PHE 24 -7.829 -7.481 3.782
146 HD2 PHE 24 HD1 PHE 24 -11.173 -5.438 2.120
147 HE1 PHE 24 HE2 PHE 24 -9.181 -9.525 3.997
148 HE2 PHE 24 HE1 PHE 24 -12.530 -7.479 2.334
149 HZ PHE 24 HZ PHE 24 -11.534 -9.527 3.272
150 H ASN 25 H ASN 25 -7.812 -4.258 -0.252
151 HA ASN 25 HA ASN 25 -5.764 -2.389 -0.526
152 HB2 ASN 25 1HB ASN 25 -6.990 -2.995 -2.470
153 HB3 ASN 25 2HB ASN 25 -8.523 -2.530 -1.738
154 HD21 ASN 25 1HD2 ASN 25 -5.872 -1.534 -3.599
155 HD22 ASN 25 2HD2 ASN 25 -6.301 0.132 -3.756
156 H SER 26 H SER 26 -9.164 -1.750 0.352
157 HA SER 26 HA SER 26 -9.228 0.870 0.827
158 HB2 SER 26 1HB SER 26 -10.766 0.467 2.725
159 HB3 SER 26 2HB SER 26 -11.115 -0.591 1.357
160 HG SER 26 HG SER 26 -9.966 -2.243 2.445
161 H GLN 27 H GLN 27 -7.635 -1.471 2.939
162 HA GLN 27 HA GLN 27 -6.943 0.315 5.000
163 HB2 GLN 27 1HB GLN 27 -5.503 -2.193 4.120
164 HB3 GLN 27 2HB GLN 27 -5.300 -1.380 5.666
165 HG2 GLN 27 1HG GLN 27 -7.776 -1.779 6.035
166 HG3 GLN 27 2HG GLN 27 -7.699 -2.864 4.648
167 HE21 GLN 27 1HE2 GLN 27 -5.993 -2.214 7.690
168 HE22 GLN 27 2HE2 GLN 27 -5.736 -3.872 8.099
169 H LEU 28 H LEU 28 -4.797 -1.050 2.496
170 HA LEU 28 HA LEU 28 -2.582 0.497 2.917
171 HB2 LEU 28 1HB LEU 28 -2.568 -1.311 1.339
172 HB3 LEU 28 2HB LEU 28 -3.729 -0.478 0.308
173 HG LEU 28 HG LEU 28 -2.038 1.216 -0.219
174 HD11 LEU 28 1HD1 LEU 28 -0.768 1.121 1.861
175 HD12 LEU 28 2HD1 LEU 28 0.281 0.895 0.462
176 HD13 LEU 28 3HD1 LEU 28 -0.192 -0.492 1.443
177 HD21 LEU 28 3HD2 LEU 28 -0.586 -1.303 -0.750
178 HD22 LEU 28 1HD2 LEU 28 -1.097 -0.029 -1.858
179 HD23 LEU 28 2HD2 LEU 28 -2.263 -1.225 -1.292
180 H ILE 29 H ILE 29 -5.576 1.419 1.380
181 HA ILE 29 HA ILE 29 -4.629 3.824 0.193
182 HB ILE 29 HB ILE 29 -7.468 3.266 1.040
183 HG12 ILE 29 1HG1 ILE 29 -6.184 1.478 -0.415
184 HG13 ILE 29 2HG1 ILE 29 -7.831 1.948 -0.819
185 HG21 ILE 29 1HG2 ILE 29 -8.014 4.715 -0.869
186 HG22 ILE 29 2HG2 ILE 29 -7.040 5.548 0.341
187 HG23 ILE 29 3HG2 ILE 29 -6.292 4.974 -1.149
188 HD11 ILE 29 3HD1 ILE 29 -6.431 1.833 -2.796
189 HD12 ILE 29 1HD1 ILE 29 -6.980 3.483 -2.508
190 HD13 ILE 29 2HD1 ILE 29 -5.328 3.019 -2.099
191 H VAL 30 H VAL 30 -6.081 3.029 3.306
192 HA VAL 30 HA VAL 30 -6.345 5.736 4.175
193 HB VAL 30 HB VAL 30 -6.335 3.155 5.744
194 HG11 VAL 30 1HG1 VAL 30 -7.478 4.620 7.489
195 HG12 VAL 30 2HG1 VAL 30 -5.733 4.804 7.306
196 HG13 VAL 30 3HG1 VAL 30 -6.826 5.993 6.597
197 HG21 VAL 30 3HG2 VAL 30 -8.325 2.955 4.719
198 HG22 VAL 30 1HG2 VAL 30 -8.852 4.177 5.877
199 HG23 VAL 30 2HG2 VAL 30 -8.366 4.655 4.250
200 H HIS 31 H HIS 31 -3.773 3.433 4.137
201 HA HIS 31 HA HIS 31 -2.211 4.773 6.168
202 HB2 HIS 31 1HB HIS 31 -1.762 2.489 6.136
203 HB3 HIS 31 2HB HIS 31 -1.783 2.407 4.376
204 HD1 HIS 31 HD1 HIS 31 0.410 3.676 7.192
205 HD2 HIS 31 HD2 HIS 31 0.673 2.569 3.197
206 HE1 HIS 31 HE1 HIS 31 2.866 3.688 6.651
207 H GLN 32 H GLN 32 -2.029 4.340 2.643
208 HA GLN 32 HA GLN 32 0.279 5.753 2.120
209 HB2 GLN 32 1HB GLN 32 -2.249 5.368 0.546
210 HB3 GLN 32 2HB GLN 32 -0.941 6.357 -0.089
211 HG2 GLN 32 1HG GLN 32 0.516 4.261 0.456
212 HG3 GLN 32 2HG GLN 32 -1.033 3.422 0.402
213 HE21 GLN 32 1HE2 GLN 32 -0.352 2.258 -1.419
214 HE22 GLN 32 2HE2 GLN 32 -0.294 2.983 -2.986
215 H ARG 33 H ARG 33 -2.792 6.937 3.155
216 HA ARG 33 HA ARG 33 -2.621 9.593 2.241
217 HB2 ARG 33 1HB ARG 33 -3.936 8.771 4.823
218 HB3 ARG 33 2HB ARG 33 -4.387 10.080 3.740
219 HG2 ARG 33 1HG ARG 33 -4.761 8.120 2.037
220 HG3 ARG 33 2HG ARG 33 -4.910 7.163 3.512
221 HD2 ARG 33 1HD ARG 33 -7.099 7.849 2.978
222 HD3 ARG 33 2HD ARG 33 -6.583 8.895 4.300
223 HE ARG 33 HE ARG 33 -6.810 10.677 2.898
224 HH11 ARG 33 1HH1 ARG 33 -6.485 7.791 0.978
225 HH12 ARG 33 2HH1 ARG 33 -6.762 8.604 -0.526
226 HH21 ARG 33 1HH2 ARG 33 -7.176 11.758 0.923
227 HH22 ARG 33 2HH2 ARG 33 -7.154 10.861 -0.557
228 H ILE 34 H ILE 34 -0.643 7.977 4.365
229 HA ILE 34 HA ILE 34 -0.094 10.232 6.110
230 HB ILE 34 HB ILE 34 1.328 8.826 7.335
231 HG12 ILE 34 1HG1 ILE 34 1.333 6.912 4.990
232 HG13 ILE 34 2HG1 ILE 34 2.649 8.001 5.416
233 HG21 ILE 34 1HG2 ILE 34 -0.625 7.943 8.014
234 HG22 ILE 34 2HG2 ILE 34 -1.181 7.646 6.367
235 HG23 ILE 34 3HG2 ILE 34 -0.072 6.514 7.141
236 HD11 ILE 34 3HD1 ILE 34 3.287 5.924 6.257
237 HD12 ILE 34 1HD1 ILE 34 2.684 6.803 7.661
238 HD13 ILE 34 2HD1 ILE 34 1.675 5.582 6.885
239 H HIS 35 H HIS 35 1.267 8.664 3.300
240 HA HIS 35 HA HIS 35 3.800 9.988 3.426
241 HB2 HIS 35 1HB HIS 35 2.402 8.554 1.160
242 HB3 HIS 35 2HB HIS 35 4.055 9.155 1.082
243 HD1 HIS 35 HD1 HIS 35 5.633 8.108 3.125
244 HD2 HIS 35 HD2 HIS 35 2.262 5.979 1.958
245 HE1 HIS 35 HE1 HIS 35 6.005 5.760 3.943
246 H THR 36 H THR 36 0.783 10.521 1.651
247 HA THR 36 HA THR 36 1.853 12.966 0.473
248 HB THR 36 HB THR 36 0.529 11.479 -0.966
249 HG1 THR 36 HG1 THR 36 0.477 13.747 -1.360
250 HG21 THR 36 3HG2 THR 36 -2.042 11.639 -0.488
251 HG22 THR 36 1HG2 THR 36 -1.515 11.898 1.175
252 HG23 THR 36 2HG2 THR 36 -1.064 10.419 0.327
253 H GLY 37 H GLY 37 1.574 12.989 3.290
254 HA2 GLY 37 1HA GLY 37 0.062 15.389 3.604
255 HA3 GLY 37 2HA GLY 37 -0.761 14.020 4.337
256 H GLU 38 H GLU 38 2.729 14.451 4.179
257 HA GLU 38 HA GLU 38 2.872 15.322 6.938
258 HB2 GLU 38 1HB GLU 38 2.662 12.958 7.301
259 HB3 GLU 38 2HB GLU 38 3.859 12.607 6.061
260 HG2 GLU 38 1HG GLU 38 5.067 12.319 7.992
261 HG3 GLU 38 2HG GLU 38 5.455 13.984 7.564
262 H ASN 39 H ASN 39 4.737 16.396 7.394
263 HA ASN 39 HA ASN 39 6.670 16.625 5.189
264 HB2 ASN 39 1HB ASN 39 5.316 18.654 6.125
265 HB3 ASN 39 2HB ASN 39 6.483 18.598 7.443
266 HD21 ASN 39 1HD2 ASN 39 5.910 20.465 5.106
267 HD22 ASN 39 2HD2 ASN 39 7.468 20.737 4.410
268 HA PRO 40 HA PRO 40 8.991 14.377 8.478
269 HB2 PRO 40 1HB PRO 40 10.393 12.838 6.734
270 HB3 PRO 40 2HB PRO 40 8.778 12.409 7.311
271 HG2 PRO 40 1HG PRO 40 9.587 13.697 4.733
272 HG3 PRO 40 2HG PRO 40 8.401 12.409 5.017
273 HD2 PRO 40 1HD PRO 40 7.685 14.993 4.643
274 HD3 PRO 40 2HD PRO 40 6.767 13.890 5.687
275 H SER 41 H SER 41 9.628 16.697 6.224
276 HA SER 41 HA SER 41 11.334 18.210 6.051
277 HB2 SER 41 1HB SER 41 11.686 17.568 8.535
278 HB3 SER 41 2HB SER 41 13.015 16.575 7.938
279 HG SER 41 HG SER 41 13.377 18.846 6.779
280 H GLY 42 H GLY 42 11.058 16.260 4.159
281 HA2 GLY 42 1HA GLY 42 12.438 15.879 2.262
282 HA3 GLY 42 2HA GLY 42 13.845 15.908 3.315
283 HA PRO 43 HA PRO 43 11.672 11.567 3.686
284 HB2 PRO 43 1HB PRO 43 10.168 10.892 1.528
285 HB3 PRO 43 2HB PRO 43 9.497 11.690 2.956
286 HG2 PRO 43 1HG PRO 43 10.306 12.876 0.329
287 HG3 PRO 43 2HG PRO 43 8.867 13.207 1.310
288 HD2 PRO 43 1HD PRO 43 11.030 14.837 1.299
289 HD3 PRO 43 2HD PRO 43 10.008 14.616 2.734
290 H SER 44 H SER 44 13.152 10.061 3.270
291 HA SER 44 HA SER 44 14.988 10.298 1.114
292 HB2 SER 44 1HB SER 44 15.821 9.322 3.112
293 HB3 SER 44 2HB SER 44 14.505 8.151 3.179
294 HG SER 44 HG SER 44 16.547 8.247 1.208
295 H SER 45 H SER 45 12.380 7.988 1.823
296 HA SER 45 HA SER 45 12.709 6.539 -0.610
297 HB2 SER 45 1HB SER 45 11.705 5.382 1.223
298 HB3 SER 45 2HB SER 45 10.482 6.635 1.430
299 HG SER 45 HG SER 45 10.544 4.509 -0.301
300 H GLY 46 H GLY 46 12.685 8.121 -2.251
301 HA2 GLY 46 1HA GLY 46 10.699 10.045 -2.652
302 HA3 GLY 46 2HA GLY 46 11.703 9.354 -3.919