Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
627141 | 5xht RC | 36075 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLU 1 HN GLU 1 1.791 5.233 3.744
2 HA GLU 1 HA GLU 1 0.453 3.073 2.548
3 HB2 GLU 1 2HB GLU 1 2.641 3.157 1.043
4 HB3 GLU 1 3HB GLU 1 1.398 4.396 0.944
5 HG2 GLU 1 2HG GLU 1 2.666 5.921 2.204
6 HG3 GLU 1 3HG GLU 1 3.783 4.669 2.742
7 H MET 2 HN MET 2 0.618 1.507 4.322
8 HA MET 2 HA MET 2 3.204 0.102 4.362
9 HB2 MET 2 2HB MET 2 0.982 0.306 6.377
10 HB3 MET 2 3HB MET 2 2.144 -1.012 6.443
11 HG2 MET 2 2HG MET 2 3.741 1.210 6.203
12 HG3 MET 2 3HG MET 2 2.424 1.767 7.233
13 HE1 MET 2 1HE MET 2 5.406 1.644 8.844
14 HE2 MET 2 2HE MET 2 6.066 0.023 8.628
15 HE3 MET 2 3HE MET 2 5.627 0.991 7.219
16 H CYS 3 HN CYS 3 3.292 -1.653 3.140
17 HA CYS 3 HA CYS 3 1.220 -2.823 1.760
18 HB2 CYS 3 2HB CYS 3 3.613 -3.233 1.300
19 HB3 CYS 3 3HB CYS 3 3.715 -4.212 2.761
20 H ASP 4 HN ASP 4 -0.533 -3.864 2.405
21 HA ASP 4 HA ASP 4 -0.982 -4.697 5.057
22 HB2 ASP 4 2HB ASP 4 -2.678 -4.114 3.176
23 HB3 ASP 4 3HB ASP 4 -2.521 -5.810 2.729
24 H VAL 5 HN VAL 5 0.888 -6.106 2.692
25 HA VAL 5 HA VAL 5 0.491 -8.822 3.749
26 HB VAL 5 HB VAL 5 1.942 -7.949 1.246
27 HG11 VAL 5 1HG1 VAL 5 1.816 -10.430 0.744
28 HG12 VAL 5 2HG1 VAL 5 2.963 -9.943 1.994
29 HG13 VAL 5 3HG1 VAL 5 1.414 -10.655 2.447
30 HG21 VAL 5 1HG2 VAL 5 -0.824 -8.964 1.760
31 HG22 VAL 5 2HG2 VAL 5 -0.294 -7.630 0.736
32 HG23 VAL 5 3HG2 VAL 5 -0.027 -9.296 0.221
33 H CYS 6 HN CYS 6 2.543 -6.150 3.928
34 HA CYS 6 HA CYS 6 4.606 -7.791 5.224
35 HB2 CYS 6 2HB CYS 6 5.147 -5.480 3.346
36 HB3 CYS 6 3HB CYS 6 6.364 -6.364 4.260
37 H GLU 7 HN GLU 7 3.635 -4.405 4.650
38 HA GLU 7 HA GLU 7 3.113 -2.764 6.178
39 HB2 GLU 7 2HB GLU 7 4.104 -4.457 8.447
40 HB3 GLU 7 3HB GLU 7 2.865 -3.210 8.456
41 HG2 GLU 7 2HG GLU 7 2.001 -5.242 6.694
42 HG3 GLU 7 3HG GLU 7 2.571 -6.021 8.168
43 H VAL 8 HN VAL 8 5.223 -2.306 4.835
44 HA VAL 8 HA VAL 8 7.023 -0.996 6.632
45 HB VAL 8 HB VAL 8 8.904 -2.365 5.108
46 HG11 VAL 8 1HG1 VAL 8 8.174 -3.132 7.917
47 HG12 VAL 8 2HG1 VAL 8 9.773 -3.047 7.174
48 HG13 VAL 8 3HG1 VAL 8 8.887 -1.564 7.539
49 HG21 VAL 8 1HG2 VAL 8 8.486 -4.716 5.494
50 HG22 VAL 8 2HG2 VAL 8 6.947 -4.345 6.273
51 HG23 VAL 8 3HG2 VAL 8 7.164 -4.026 4.551
52 H TRP 9 HN TRP 9 7.098 0.917 5.657
53 HA TRP 9 HA TRP 9 7.265 1.021 2.727
54 HB2 TRP 9 2HB TRP 9 5.542 2.443 3.208
55 HB3 TRP 9 3HB TRP 9 6.159 2.821 4.813
56 HD1 TRP 9 1HD TRP 9 7.748 4.917 5.054
57 HE1 TRP 9 1HE TRP 9 8.368 6.842 3.462
58 HE3 TRP 9 3HE TRP 9 5.960 2.961 0.683
59 HZ2 TRP 9 2HZ TRP 9 8.129 7.451 0.716
60 HZ3 TRP 9 3HZ TRP 9 6.195 4.279 -1.382
61 HH2 TRP 9 2HH TRP 9 7.258 6.477 -1.364
62 H THR 10 HN THR 10 8.628 2.803 1.821
63 HA THR 10 HA THR 10 10.963 3.461 3.456
64 HB THR 10 HB THR 10 12.152 2.889 1.046
65 HG1 THR 10 1HG THR 10 11.080 1.339 0.098
66 HG21 THR 10 1HG2 THR 10 11.944 1.481 3.668
67 HG22 THR 10 2HG2 THR 10 13.336 2.259 2.915
68 HG23 THR 10 3HG2 THR 10 12.787 0.685 2.340
69 H ALA 11 HN ALA 11 10.766 3.658 -0.040
70 HA ALA 11 HA ALA 11 9.641 6.101 -0.488
71 HB1 ALA 11 1HB ALA 11 12.363 6.354 0.672
72 HB2 ALA 11 2HB ALA 11 11.908 7.455 -0.630
73 HB3 ALA 11 3HB ALA 11 10.952 7.399 0.851
74 H GLU 12 HN GLU 12 12.298 3.950 -1.198
75 HA GLU 12 HA GLU 12 13.337 4.666 -3.544
76 HB2 GLU 12 2HB GLU 12 12.166 1.915 -3.458
77 HB3 GLU 12 3HB GLU 12 13.747 2.435 -4.025
78 HG2 GLU 12 2HG GLU 12 14.106 3.039 -1.501
79 HG3 GLU 12 3HG GLU 12 12.817 1.861 -1.260
80 H SER 13 HN SER 13 10.195 2.989 -3.355
81 HA SER 13 HA SER 13 8.675 4.513 -4.975
82 HB2 SER 13 2HB SER 13 10.729 3.118 -6.555
83 HB3 SER 13 3HB SER 13 9.085 2.924 -7.166
84 HG SER 13 HG SER 13 10.671 5.201 -7.002
85 H LEU 14 HN LEU 14 7.657 3.208 -3.153
86 HA LEU 14 HA LEU 14 7.085 0.485 -3.391
87 HB2 LEU 14 2HB LEU 14 6.705 1.996 -1.400
88 HB3 LEU 14 3HB LEU 14 5.235 2.540 -2.206
89 HG LEU 14 HG LEU 14 4.282 0.328 -2.057
90 HD11 LEU 14 1HD1 LEU 14 7.041 -0.406 -1.222
91 HD12 LEU 14 2HD1 LEU 14 5.924 -1.243 -2.299
92 HD13 LEU 14 3HD1 LEU 14 5.683 -1.311 -0.553
93 HD21 LEU 14 1HD2 LEU 14 5.491 1.016 0.615
94 HD22 LEU 14 2HD2 LEU 14 3.964 0.191 0.302
95 HD23 LEU 14 3HD2 LEU 14 4.146 1.897 -0.111
96 H PHE 15 HN PHE 15 4.840 -0.413 -3.747
97 HA PHE 15 HA PHE 15 3.340 0.993 -5.824
98 HB2 PHE 15 2HB PHE 15 3.551 -1.799 -6.525
99 HB3 PHE 15 3HB PHE 15 3.916 -0.378 -7.498
100 HD1 PHE 15 1HD PHE 15 6.066 -0.111 -8.248
101 HD2 PHE 15 2HD PHE 15 5.384 -2.359 -4.698
102 HE1 PHE 15 1HE PHE 15 8.465 -0.647 -8.130
103 HE2 PHE 15 2HE PHE 15 7.782 -2.898 -4.574
104 HZ PHE 15 HZ PHE 15 9.325 -2.041 -6.292
105 HA PRO 16 HA PRO 16 1.720 0.109 -7.327
106 HB2 PRO 16 2HB PRO 16 -0.772 1.187 -7.361
107 HB3 PRO 16 3HB PRO 16 -0.463 -0.529 -7.653
108 HG2 PRO 16 2HG PRO 16 -1.373 0.831 -5.147
109 HG3 PRO 16 3HG PRO 16 -1.947 -0.682 -5.869
110 HD2 PRO 16 2HD PRO 16 -0.214 -0.626 -3.790
111 HD3 PRO 16 3HD PRO 16 -0.183 -1.902 -5.023
112 H CYS 17 HN CYS 17 0.140 1.942 -4.701
113 HA CYS 17 HA CYS 17 1.938 4.175 -5.171
114 HB2 CYS 17 2HB CYS 17 0.252 5.805 -5.580
115 HB3 CYS 17 3HB CYS 17 -0.059 4.481 -6.697
116 H ARG 18 HN ARG 18 0.065 5.955 -3.700
117 HA ARG 18 HA ARG 18 -0.035 4.692 -1.066
118 HB2 ARG 18 2HB ARG 18 1.348 6.202 0.003
119 HB3 ARG 18 3HB ARG 18 2.174 6.011 -1.538
120 HG2 ARG 18 2HG ARG 18 0.239 8.239 -0.955
121 HG3 ARG 18 3HG ARG 18 1.983 8.362 -0.710
122 HD2 ARG 18 2HD ARG 18 1.320 7.329 -3.337
123 HD3 ARG 18 3HD ARG 18 0.594 8.909 -3.046
124 HE ARG 18 HE ARG 18 3.305 8.402 -3.588
125 HH11 ARG 18 1HH1 ARG 18 1.288 10.326 -1.502
126 HH12 ARG 18 2HH1 ARG 18 2.451 11.599 -1.334
127 HH21 ARG 18 1HH2 ARG 18 4.845 10.072 -3.373
128 HH22 ARG 18 2HH2 ARG 18 4.474 11.454 -2.399
129 H VAL 19 HN VAL 19 -0.819 7.445 -3.122
130 HA VAL 19 HA VAL 19 -2.537 8.836 -1.441
131 HB VAL 19 HB VAL 19 -2.561 8.510 -4.437
132 HG11 VAL 19 1HG1 VAL 19 -4.334 10.223 -2.706
133 HG12 VAL 19 2HG1 VAL 19 -4.087 10.505 -4.429
134 HG13 VAL 19 3HG1 VAL 19 -4.823 9.000 -3.879
135 HG21 VAL 19 1HG2 VAL 19 -2.033 11.127 -3.837
136 HG22 VAL 19 2HG2 VAL 19 -1.243 10.272 -2.512
137 HG23 VAL 19 3HG2 VAL 19 -0.819 9.895 -4.182
138 H CYS 20 HN CYS 20 -3.191 6.069 -3.544
139 HA CYS 20 HA CYS 20 -5.903 5.900 -3.516
140 HB2 CYS 20 2HB CYS 20 -3.725 3.885 -3.521
141 HB3 CYS 20 3HB CYS 20 -5.342 3.293 -3.157
142 H THR 21 HN THR 21 -4.269 3.693 -1.307
143 HA THR 21 HA THR 21 -5.293 4.756 1.097
144 HB THR 21 HB THR 21 -7.476 4.167 0.617
145 HG1 THR 21 1HG THR 21 -7.876 2.222 1.811
146 HG21 THR 21 1HG2 THR 21 -7.828 3.030 -1.274
147 HG22 THR 21 2HG2 THR 21 -7.586 1.557 -0.333
148 HG23 THR 21 3HG2 THR 21 -6.232 2.282 -1.199
149 H ARG 22 HN ARG 22 -4.510 1.737 -0.600
150 HA ARG 22 HA ARG 22 -2.733 1.044 1.638
151 HB2 ARG 22 2HB ARG 22 -4.770 -0.690 0.271
152 HB3 ARG 22 3HB ARG 22 -3.352 -1.399 1.034
153 HG2 ARG 22 2HG ARG 22 -4.315 0.280 2.981
154 HG3 ARG 22 3HG ARG 22 -5.784 -0.339 2.223
155 HD2 ARG 22 2HD ARG 22 -5.258 -2.553 2.732
156 HD3 ARG 22 3HD ARG 22 -3.554 -2.185 2.996
157 HE ARG 22 HE ARG 22 -5.693 -1.964 4.906
158 HH11 ARG 22 1HH1 ARG 22 -2.511 -0.862 4.025
159 HH12 ARG 22 2HH1 ARG 22 -2.079 -0.406 5.639
160 HH21 ARG 22 1HH2 ARG 22 -5.137 -1.368 7.036
161 HH22 ARG 22 2HH2 ARG 22 -3.573 -0.695 7.352
162 H VAL 23 HN VAL 23 -1.072 -0.592 1.008
163 HA VAL 23 HA VAL 23 -0.279 -0.234 -1.810
164 HB VAL 23 HB VAL 23 2.070 -0.364 -1.067
165 HG11 VAL 23 1HG1 VAL 23 0.428 1.794 -1.028
166 HG12 VAL 23 2HG1 VAL 23 1.092 1.842 0.606
167 HG13 VAL 23 3HG1 VAL 23 2.173 1.864 -0.787
168 HG21 VAL 23 1HG2 VAL 23 0.767 -0.871 1.520
169 HG22 VAL 23 2HG2 VAL 23 2.340 -1.395 0.919
170 HG23 VAL 23 3HG2 VAL 23 2.143 0.233 1.569
171 H PHE 24 HN PHE 24 0.744 -1.969 -2.849
172 HA PHE 24 HA PHE 24 0.847 -4.524 -1.429
173 HB2 PHE 24 2HB PHE 24 -0.238 -4.900 -4.090
174 HB3 PHE 24 3HB PHE 24 -0.844 -5.485 -2.543
175 HD1 PHE 24 1HD PHE 24 -1.979 -3.586 -1.063
176 HD2 PHE 24 2HD PHE 24 -1.587 -3.501 -5.300
177 HE1 PHE 24 1HE PHE 24 -3.862 -2.008 -1.203
178 HE2 PHE 24 2HE PHE 24 -3.467 -1.922 -5.447
179 HZ PHE 24 HZ PHE 24 -4.607 -1.173 -3.397
180 H HIS 25 HN HIS 25 2.879 -5.161 -1.680
181 HA HIS 25 HA HIS 25 4.684 -4.261 -3.587
182 HB2 HIS 25 2HB HIS 25 4.687 -6.877 -2.069
183 HB3 HIS 25 3HB HIS 25 6.067 -6.226 -2.948
184 HD2 HIS 25 2HD HIS 25 4.776 -3.190 -1.379
185 HE1 HIS 25 1HE HIS 25 7.106 -4.982 1.681
186 HE2 HIS 25 2HE HIS 25 5.874 -2.912 0.947
187 H ASP 26 HN ASP 26 4.844 -4.596 -5.695
188 HA ASP 26 HA ASP 26 3.158 -6.026 -7.280
189 HB2 ASP 26 2HB ASP 26 4.971 -4.401 -8.003
190 HB3 ASP 26 3HB ASP 26 6.097 -5.752 -7.916
191 H GLY 27 HN GLY 27 5.685 -7.277 -5.298
192 HA2 GLY 27 1HA GLY 27 5.719 -9.851 -6.673
193 HA3 GLY 27 2HA GLY 27 6.727 -9.385 -5.312
194 H CYS 28 HN CYS 28 4.474 -8.411 -3.727
195 HA CYS 28 HA CYS 28 3.871 -10.748 -2.313
196 HB2 CYS 28 2HB CYS 28 2.990 -7.924 -2.241
197 HB3 CYS 28 3HB CYS 28 1.884 -9.088 -1.518
198 H LEU 29 HN LEU 29 1.775 -8.813 -4.449
199 HA LEU 29 HA LEU 29 -0.512 -10.351 -4.324
200 HB2 LEU 29 2HB LEU 29 0.571 -8.958 -6.767
201 HB3 LEU 29 3HB LEU 29 -1.105 -9.429 -6.492
202 HG LEU 29 HG LEU 29 0.255 -7.511 -4.635
203 HD11 LEU 29 1HD1 LEU 29 -0.777 -5.702 -6.070
204 HD12 LEU 29 2HD1 LEU 29 -0.908 -6.916 -7.342
205 HD13 LEU 29 3HD1 LEU 29 0.676 -6.471 -6.708
206 HD21 LEU 29 1HD2 LEU 29 -1.891 -8.414 -3.959
207 HD22 LEU 29 2HD2 LEU 29 -2.604 -7.936 -5.499
208 HD23 LEU 29 3HD2 LEU 29 -2.053 -6.705 -4.362
209 H ARG 30 HN ARG 30 2.452 -10.945 -6.070
210 HA ARG 30 HA ARG 30 1.301 -13.198 -7.509
211 HB2 ARG 30 2HB ARG 30 4.030 -11.916 -7.522
212 HB3 ARG 30 3HB ARG 30 3.685 -13.409 -8.384
213 HG2 ARG 30 2HG ARG 30 2.299 -12.364 -9.911
214 HG3 ARG 30 3HG ARG 30 2.006 -10.983 -8.850
215 HD2 ARG 30 2HD ARG 30 3.441 -10.164 -10.512
216 HD3 ARG 30 3HD ARG 30 4.486 -10.462 -9.124
217 HE ARG 30 HE ARG 30 4.689 -12.762 -10.501
218 HH11 ARG 30 1HH1 ARG 30 4.982 -9.425 -11.448
219 HH12 ARG 30 2HH1 ARG 30 6.118 -9.748 -12.715
220 HH21 ARG 30 1HH2 ARG 30 6.183 -13.201 -12.168
221 HH22 ARG 30 2HH2 ARG 30 6.799 -11.897 -13.124
222 H ARG 31 HN ARG 31 3.281 -12.538 -4.729
223 HA ARG 31 HA ARG 31 4.214 -15.251 -4.448
224 HB2 ARG 31 2HB ARG 31 5.244 -12.950 -3.590
225 HB3 ARG 31 3HB ARG 31 4.285 -13.336 -2.167
226 HG2 ARG 31 2HG ARG 31 5.461 -15.377 -1.832
227 HG3 ARG 31 3HG ARG 31 6.275 -15.230 -3.390
228 HD2 ARG 31 2HD ARG 31 7.892 -14.539 -1.867
229 HD3 ARG 31 3HD ARG 31 7.208 -13.023 -2.453
230 HE ARG 31 HE ARG 31 5.758 -13.677 -0.208
231 HH11 ARG 31 1HH1 ARG 31 9.099 -13.056 -0.963
232 HH12 ARG 31 2HH1 ARG 31 9.472 -12.423 0.607
233 HH21 ARG 31 1HH2 ARG 31 6.236 -12.846 1.862
234 HH22 ARG 31 2HH2 ARG 31 7.842 -12.306 2.213
235 H MET 32 HN MET 32 1.409 -13.500 -3.604
236 HA MET 32 HA MET 32 0.676 -15.409 -1.507
237 HB2 MET 32 2HB MET 32 -0.712 -12.879 -2.408
238 HB3 MET 32 3HB MET 32 -1.206 -13.888 -1.055
239 HG2 MET 32 2HG MET 32 1.553 -12.764 -1.115
240 HG3 MET 32 3HG MET 32 0.199 -11.731 -0.662
241 HE1 MET 32 1HE MET 32 -1.774 -13.486 1.092
242 HE2 MET 32 2HE MET 32 -1.046 -13.083 2.646
243 HE3 MET 32 3HE MET 32 -1.146 -11.862 1.377
244 H GLY 33 HN GLY 33 -0.028 -14.531 -4.786
245 HA2 GLY 33 1HA GLY 33 -1.049 -16.050 -6.302
246 HA3 GLY 33 2HA GLY 33 -1.878 -16.801 -4.946
247 H TYR 34 HN TYR 34 -1.904 -13.384 -4.965
248 HA TYR 34 HA TYR 34 -4.731 -13.276 -5.143
249 HB2 TYR 34 2HB TYR 34 -2.539 -11.241 -5.006
250 HB3 TYR 34 3HB TYR 34 -4.171 -10.721 -5.415
251 HD1 TYR 34 1HD TYR 34 -5.987 -11.996 -3.756
252 HD2 TYR 34 2HD TYR 34 -1.987 -10.904 -2.802
253 HE1 TYR 34 1HE TYR 34 -6.575 -11.951 -1.367
254 HE2 TYR 34 2HE TYR 34 -2.564 -10.858 -0.411
255 HH TYR 34 HH TYR 34 -5.295 -10.517 0.815
256 H ILE 35 HN ILE 35 -2.528 -11.399 -7.199
257 HA ILE 35 HA ILE 35 -4.425 -11.552 -9.384
258 HB ILE 35 HB ILE 35 -2.953 -10.002 -10.548
259 HG12 ILE 35 2HG1 ILE 35 -0.995 -9.122 -8.988
260 HG13 ILE 35 3HG1 ILE 35 -1.080 -10.760 -8.351
261 HG21 ILE 35 1HG2 ILE 35 -4.520 -9.390 -8.504
262 HG22 ILE 35 2HG2 ILE 35 -2.986 -8.882 -7.800
263 HG23 ILE 35 3HG2 ILE 35 -3.537 -8.173 -9.318
264 HD11 ILE 35 1HD1 ILE 35 -1.080 -11.045 -11.123
265 HD12 ILE 35 2HD1 ILE 35 0.120 -9.802 -10.771
266 HD13 ILE 35 3HD1 ILE 35 0.240 -11.386 -10.006
267 H GLN 36 HN GLN 36 -3.869 -12.252 -11.516
268 HA GLN 36 HA GLN 36 -1.492 -13.899 -11.824
269 HB2 GLN 36 2HB GLN 36 -4.253 -14.964 -11.616
270 HB3 GLN 36 3HB GLN 36 -3.233 -15.650 -12.874
271 HG2 GLN 36 2HG GLN 36 -1.708 -16.507 -11.346
272 HG3 GLN 36 3HG GLN 36 -2.261 -15.443 -10.054
273 HE21 GLN 36 1HE2 GLN 36 -2.207 -18.531 -10.967
274 HE22 GLN 36 2HE2 GLN 36 -3.661 -19.109 -10.234
275 H GLY 37 HN GLY 37 -1.454 -11.753 -13.154
276 HA2 GLY 37 1HA GLY 37 -1.255 -12.241 -15.798
277 HA3 GLY 37 2HA GLY 37 -2.959 -11.850 -15.624
278 H ASP 38 HN ASP 38 -2.040 -10.169 -17.218
279 HA ASP 38 HA ASP 38 -0.573 -7.986 -16.063
280 HB2 ASP 38 2HB ASP 38 -2.131 -7.626 -18.577
281 HB3 ASP 38 3HB ASP 38 -0.497 -7.102 -18.183
282 H SER 39 HN SER 39 -1.805 -7.321 -14.287
283 HA SER 39 HA SER 39 -4.446 -6.181 -14.883
284 HB2 SER 39 2HB SER 39 -3.860 -7.866 -12.898
285 HB3 SER 39 3HB SER 39 -3.436 -6.360 -12.084
286 HG SER 39 HG SER 39 -5.933 -7.122 -13.176
287 H ALA 40 HN ALA 40 -2.289 -4.750 -15.833
288 HA ALA 40 HA ALA 40 -2.751 -2.198 -14.752
289 HB1 ALA 40 1HB ALA 40 -1.244 -3.356 -12.985
290 HB2 ALA 40 2HB ALA 40 0.051 -3.047 -14.143
291 HB3 ALA 40 3HB ALA 40 -0.883 -1.704 -13.484
292 H ALA 41 HN ALA 41 -0.511 -0.811 -15.422
293 HA ALA 41 HA ALA 41 -0.354 -1.297 -18.309
294 HB1 ALA 41 1HB ALA 41 -0.814 1.012 -16.835
295 HB2 ALA 41 2HB ALA 41 0.839 1.182 -17.427
296 HB3 ALA 41 3HB ALA 41 -0.480 0.907 -18.565
297 H GLU 42 HN GLU 42 1.482 -1.605 -15.476
298 HA GLU 42 HA GLU 42 3.756 -1.726 -15.065
299 HB2 GLU 42 2HB GLU 42 4.023 -3.459 -17.456
300 HB3 GLU 42 3HB GLU 42 4.489 -3.762 -15.788
301 HG2 GLU 42 2HG GLU 42 2.235 -4.281 -15.182
302 HG3 GLU 42 3HG GLU 42 1.645 -3.781 -16.766
303 H VAL 43 HN VAL 43 3.120 0.519 -16.753
304 HA VAL 43 HA VAL 43 5.364 0.582 -18.642
305 HB VAL 43 HB VAL 43 3.197 1.288 -19.533
306 HG11 VAL 43 1HG1 VAL 43 3.114 3.807 -18.026
307 HG12 VAL 43 2HG1 VAL 43 1.802 2.744 -18.539
308 HG13 VAL 43 3HG1 VAL 43 2.729 2.365 -17.087
309 HG21 VAL 43 1HG2 VAL 43 3.905 3.586 -20.317
310 HG22 VAL 43 2HG2 VAL 43 5.301 3.421 -19.253
311 HG23 VAL 43 3HG2 VAL 43 5.068 2.287 -20.583
312 H THR 44 HN THR 44 4.139 2.066 -15.718
313 HA THR 44 HA THR 44 6.724 3.023 -14.995
314 HB THR 44 HB THR 44 6.011 4.791 -16.621
315 HG1 THR 44 1HG THR 44 6.549 5.311 -13.902
316 HG21 THR 44 1HG2 THR 44 4.141 5.917 -14.620
317 HG22 THR 44 2HG2 THR 44 3.550 4.566 -15.587
318 HG23 THR 44 3HG2 THR 44 4.122 6.033 -16.378
319 H GLU 45 HN GLU 45 6.864 3.509 -12.826
320 HA GLU 45 HA GLU 45 4.380 3.140 -11.289
321 HB2 GLU 45 2HB GLU 45 7.248 2.495 -10.609
322 HB3 GLU 45 3HB GLU 45 5.957 2.483 -9.417
323 HG2 GLU 45 2HG GLU 45 5.262 0.477 -10.052
324 HG3 GLU 45 3HG GLU 45 5.263 0.932 -11.756
325 H MET 46 HN MET 46 7.387 4.263 -9.921
326 HA MET 46 HA MET 46 7.969 6.177 -8.841
327 HB2 MET 46 2HB MET 46 6.041 7.435 -10.801
328 HB3 MET 46 3HB MET 46 7.183 8.319 -9.798
329 HG2 MET 46 2HG MET 46 8.996 6.939 -10.924
330 HG3 MET 46 3HG MET 46 7.755 6.464 -12.081
331 HE1 MET 46 1HE MET 46 10.397 9.410 -13.339
332 HE2 MET 46 2HE MET 46 10.656 8.234 -12.050
333 HE3 MET 46 3HE MET 46 10.042 7.705 -13.618
334 H ALA 47 HN ALA 47 7.260 6.000 -6.792
335 HA ALA 47 HA ALA 47 4.452 6.301 -6.147
336 HB1 ALA 47 1HB ALA 47 6.466 6.180 -3.985
337 HB2 ALA 47 2HB ALA 47 4.929 5.330 -4.158
338 HB3 ALA 47 3HB ALA 47 6.349 4.774 -5.045
339 H HIS 48 HN HIS 48 6.149 8.566 -7.203
340 HA HIS 48 HA HIS 48 5.183 10.555 -5.328
341 HB2 HIS 48 2HB HIS 48 7.350 10.237 -4.384
342 HB3 HIS 48 3HB HIS 48 8.112 10.218 -5.971
343 HD1 HIS 48 1HD HIS 48 9.445 12.272 -6.235
344 HD2 HIS 48 2HD HIS 48 5.880 13.004 -4.229
345 HE1 HIS 48 1HE HIS 48 9.412 14.750 -5.805
346 H THR 49 HN THR 49 7.754 11.165 -7.610
347 HA THR 49 HA THR 49 6.820 13.293 -8.907
348 HB THR 49 HB THR 49 7.792 12.066 -11.095
349 HG1 THR 49 1HG THR 49 9.513 10.768 -9.488
350 HG21 THR 49 1HG2 THR 49 8.687 14.008 -9.637
351 HG22 THR 49 2HG2 THR 49 9.828 13.096 -10.624
352 HG23 THR 49 3HG2 THR 49 9.704 12.773 -8.896
353 H GLU 50 HN GLU 50 5.163 13.874 -10.165
354 HA GLU 50 HA GLU 50 2.861 12.499 -10.506
355 HB2 GLU 50 2HB GLU 50 3.815 14.917 -11.395
356 HB3 GLU 50 3HB GLU 50 3.522 14.059 -12.901
357 HG2 GLU 50 2HG GLU 50 1.275 14.040 -12.621
358 HG3 GLU 50 3HG GLU 50 1.382 13.960 -10.864
359 H THR 51 HN THR 51 1.932 11.128 -12.003
360 HA THR 51 HA THR 51 3.055 10.311 -14.430
361 HB THR 51 HB THR 51 3.456 7.847 -13.246
362 HG1 THR 51 1HG THR 51 3.551 9.333 -11.238
363 HG21 THR 51 1HG2 THR 51 5.088 8.160 -14.749
364 HG22 THR 51 2HG2 THR 51 5.991 8.926 -13.443
365 HG23 THR 51 3HG2 THR 51 5.040 9.912 -14.553
366 H GLY 52 HN GLY 52 2.246 7.745 -14.726
367 HA2 GLY 52 1HA GLY 52 -0.646 7.986 -14.278
368 HA3 GLY 52 2HA GLY 52 0.125 6.979 -15.494
369 H TRP 53 HN TRP 53 0.286 7.317 -11.945
370 HA TRP 53 HA TRP 53 0.771 4.536 -11.558
371 HB2 TRP 53 2HB TRP 53 0.307 5.113 -9.127
372 HB3 TRP 53 3HB TRP 53 1.617 6.004 -9.896
373 HD1 TRP 53 1HD TRP 53 -1.558 7.423 -11.077
374 HE1 TRP 53 1HE TRP 53 -2.136 9.575 -9.790
375 HE3 TRP 53 3HE TRP 53 1.786 6.992 -7.234
376 HZ2 TRP 53 2HZ TRP 53 -1.287 10.913 -7.453
377 HZ3 TRP 53 3HZ TRP 53 1.839 8.750 -5.514
378 HH2 TRP 53 2HH TRP 53 0.334 10.670 -5.624
379 H SER 54 HN SER 54 -0.887 3.379 -12.534
380 HA SER 54 HA SER 54 -3.636 3.868 -11.751
381 HB2 SER 54 2HB SER 54 -3.527 1.468 -13.192
382 HB3 SER 54 3HB SER 54 -3.958 3.059 -13.818
383 HG SER 54 HG SER 54 -2.281 2.451 -15.056
384 H CYS 55 HN CYS 55 -4.968 2.357 -10.687
385 HA CYS 55 HA CYS 55 -3.785 -0.001 -9.499
386 HB2 CYS 55 2HB CYS 55 -5.018 1.883 -7.538
387 HB3 CYS 55 3HB CYS 55 -3.810 0.629 -7.279
388 H HIS 56 HN HIS 56 -5.568 -0.783 -7.723
389 HA HIS 56 HA HIS 56 -7.851 -1.434 -9.286
390 HB2 HIS 56 2HB HIS 56 -7.355 -1.855 -6.331
391 HB3 HIS 56 3HB HIS 56 -8.631 -2.620 -7.273
392 HD1 HIS 56 1HD HIS 56 -5.669 -2.521 -9.298
393 HD2 HIS 56 2HD HIS 56 -7.080 -4.956 -6.242
394 HE1 HIS 56 1HE HIS 56 -4.342 -4.650 -9.468
395 H TYR 57 HN TYR 57 -7.325 0.696 -6.505
396 HA TYR 57 HA TYR 57 -10.091 1.624 -6.665
397 HB2 TYR 57 2HB TYR 57 -7.900 2.219 -4.666
398 HB3 TYR 57 3HB TYR 57 -9.534 2.871 -4.582
399 HD1 TYR 57 1HD TYR 57 -11.465 1.229 -4.352
400 HD2 TYR 57 2HD TYR 57 -7.403 0.112 -3.760
401 HE1 TYR 57 1HE TYR 57 -12.200 -0.759 -3.103
402 HE2 TYR 57 2HE TYR 57 -8.125 -1.879 -2.511
403 HH TYR 57 HH TYR 57 -11.068 -2.279 -1.233
404 H CYS 58 HN CYS 58 -7.009 2.463 -7.781
405 HA CYS 58 HA CYS 58 -6.974 5.230 -7.718
406 HB2 CYS 58 2HB CYS 58 -5.515 3.185 -9.009
407 HB3 CYS 58 3HB CYS 58 -6.005 4.316 -10.267
408 H ASP 59 HN ASP 59 -7.774 3.463 -10.697
409 HA ASP 59 HA ASP 59 -9.531 3.722 -12.160
410 HB2 ASP 59 2HB ASP 59 -10.630 4.751 -9.866
411 HB3 ASP 59 3HB ASP 59 -10.704 6.132 -10.958
412 H ASN 60 HN ASN 60 -8.917 7.032 -10.987
413 HA ASN 60 HA ASN 60 -8.449 8.944 -12.161
414 HB2 ASN 60 2HB ASN 60 -6.301 7.057 -12.371
415 HB3 ASN 60 3HB ASN 60 -6.374 8.007 -13.853
416 HD21 ASN 60 1HD2 ASN 60 -5.536 7.963 -10.555
417 HD22 ASN 60 2HD2 ASN 60 -5.002 9.601 -10.428
Start of MODEL 2
1 H1 GLU 1 HN GLU 1 3.024 4.547 6.930
2 HA GLU 1 HA GLU 1 1.009 2.646 5.942
3 HB2 GLU 1 2HB GLU 1 2.159 5.176 4.865
4 HB3 GLU 1 3HB GLU 1 1.662 3.943 3.714
5 HG2 GLU 1 2HG GLU 1 0.046 5.868 4.737
6 HG3 GLU 1 3HG GLU 1 -0.505 4.349 4.033
7 H MET 2 HN MET 2 2.058 0.714 5.908
8 HA MET 2 HA MET 2 4.307 0.501 4.039
9 HB2 MET 2 2HB MET 2 4.437 -1.292 6.383
10 HB3 MET 2 3HB MET 2 5.732 -0.496 5.499
11 HG2 MET 2 2HG MET 2 5.432 1.522 6.683
12 HG3 MET 2 3HG MET 2 3.896 0.980 7.356
13 HE1 MET 2 1HE MET 2 8.114 0.135 8.767
14 HE2 MET 2 2HE MET 2 7.656 -0.867 7.390
15 HE3 MET 2 3HE MET 2 7.587 0.891 7.262
16 H CYS 3 HN CYS 3 4.409 -1.420 2.887
17 HA CYS 3 HA CYS 3 2.224 -2.658 1.990
18 HB2 CYS 3 2HB CYS 3 4.535 -3.111 1.195
19 HB3 CYS 3 3HB CYS 3 4.787 -4.146 2.597
20 H ASP 4 HN ASP 4 0.566 -3.667 2.887
21 HA ASP 4 HA ASP 4 0.562 -4.555 5.577
22 HB2 ASP 4 2HB ASP 4 -1.425 -3.753 4.160
23 HB3 ASP 4 3HB ASP 4 -1.457 -5.387 3.502
24 H VAL 5 HN VAL 5 1.952 -5.928 2.930
25 HA VAL 5 HA VAL 5 1.519 -8.677 3.894
26 HB VAL 5 HB VAL 5 2.553 -7.739 1.214
27 HG11 VAL 5 1HG1 VAL 5 2.254 -10.179 0.625
28 HG12 VAL 5 2HG1 VAL 5 3.612 -9.803 1.687
29 HG13 VAL 5 3HG1 VAL 5 2.131 -10.491 2.355
30 HG21 VAL 5 1HG2 VAL 5 0.298 -7.341 1.062
31 HG22 VAL 5 2HG2 VAL 5 0.361 -9.029 0.554
32 HG23 VAL 5 3HG2 VAL 5 -0.117 -8.622 2.202
33 H CYS 6 HN CYS 6 3.893 -6.201 3.322
34 HA CYS 6 HA CYS 6 6.009 -8.033 4.246
35 HB2 CYS 6 2HB CYS 6 6.218 -5.551 2.531
36 HB3 CYS 6 3HB CYS 6 7.601 -6.442 3.160
37 H GLU 7 HN GLU 7 4.807 -4.700 4.451
38 HA GLU 7 HA GLU 7 4.727 -3.272 6.239
39 HB2 GLU 7 2HB GLU 7 6.257 -5.249 7.909
40 HB3 GLU 7 3HB GLU 7 5.117 -4.018 8.435
41 HG2 GLU 7 2HG GLU 7 3.306 -5.305 8.000
42 HG3 GLU 7 3HG GLU 7 4.079 -6.135 6.651
43 H VAL 8 HN VAL 8 6.540 -2.757 4.396
44 HA VAL 8 HA VAL 8 8.803 -1.741 5.944
45 HB VAL 8 HB VAL 8 10.011 -2.374 3.549
46 HG11 VAL 8 1HG1 VAL 8 10.876 -2.532 5.899
47 HG12 VAL 8 2HG1 VAL 8 10.075 -4.099 6.018
48 HG13 VAL 8 3HG1 VAL 8 11.363 -3.853 4.838
49 HG21 VAL 8 1HG2 VAL 8 8.017 -3.802 3.036
50 HG22 VAL 8 2HG2 VAL 8 9.558 -4.661 3.043
51 HG23 VAL 8 3HG2 VAL 8 8.461 -4.808 4.415
52 H TRP 9 HN TRP 9 8.673 0.386 5.686
53 HA TRP 9 HA TRP 9 7.869 1.449 3.064
54 HB2 TRP 9 2HB TRP 9 6.363 2.404 4.519
55 HB3 TRP 9 3HB TRP 9 7.500 2.402 5.865
56 HD1 TRP 9 1HD TRP 9 8.672 4.637 6.393
57 HE1 TRP 9 1HE TRP 9 8.791 6.944 5.259
58 HE3 TRP 9 3HE TRP 9 6.347 3.494 1.986
59 HZ2 TRP 9 2HZ TRP 9 8.002 8.124 2.818
60 HZ3 TRP 9 3HZ TRP 9 6.069 5.269 0.304
61 HH2 TRP 9 2HH TRP 9 6.879 7.536 0.714
62 H THR 10 HN THR 10 8.981 3.299 2.226
63 HA THR 10 HA THR 10 11.642 3.795 3.363
64 HB THR 10 HB THR 10 12.183 3.927 0.691
65 HG1 THR 10 1HG THR 10 10.800 2.721 -0.345
66 HG21 THR 10 1HG2 THR 10 13.835 2.704 1.554
67 HG22 THR 10 2HG2 THR 10 12.791 1.289 1.419
68 HG23 THR 10 3HG2 THR 10 12.827 2.219 2.916
69 H ALA 11 HN ALA 11 10.479 4.813 0.211
70 HA ALA 11 HA ALA 11 9.308 7.244 0.836
71 HB1 ALA 11 1HB ALA 11 12.243 7.276 1.009
72 HB2 ALA 11 2HB ALA 11 11.531 8.574 0.051
73 HB3 ALA 11 3HB ALA 11 11.048 8.354 1.732
74 H GLU 12 HN GLU 12 11.468 5.520 -1.338
75 HA GLU 12 HA GLU 12 11.315 6.913 -3.664
76 HB2 GLU 12 2HB GLU 12 11.307 3.976 -3.093
77 HB3 GLU 12 3HB GLU 12 11.108 4.527 -4.750
78 HG2 GLU 12 2HG GLU 12 13.429 5.126 -2.932
79 HG3 GLU 12 3HG GLU 12 13.423 4.025 -4.308
80 H SER 13 HN SER 13 9.293 4.070 -3.756
81 HA SER 13 HA SER 13 6.835 5.569 -3.985
82 HB2 SER 13 2HB SER 13 8.160 5.541 -6.277
83 HB3 SER 13 3HB SER 13 7.478 3.919 -6.394
84 HG SER 13 HG SER 13 5.450 5.264 -5.717
85 H LEU 14 HN LEU 14 5.401 4.384 -2.928
86 HA LEU 14 HA LEU 14 5.706 1.462 -2.909
87 HB2 LEU 14 2HB LEU 14 5.759 2.501 -0.722
88 HB3 LEU 14 3HB LEU 14 4.223 3.305 -1.039
89 HG LEU 14 HG LEU 14 3.156 1.044 -1.141
90 HD11 LEU 14 1HD1 LEU 14 5.663 0.076 -1.385
91 HD12 LEU 14 2HD1 LEU 14 4.286 -0.875 -0.829
92 HD13 LEU 14 3HD1 LEU 14 5.393 -0.159 0.342
93 HD21 LEU 14 1HD2 LEU 14 4.295 2.358 1.228
94 HD22 LEU 14 2HD2 LEU 14 3.773 0.691 1.472
95 HD23 LEU 14 3HD2 LEU 14 2.631 1.896 0.873
96 H PHE 15 HN PHE 15 3.922 0.110 -3.265
97 HA PHE 15 HA PHE 15 1.816 1.346 -4.887
98 HB2 PHE 15 2HB PHE 15 2.884 -1.468 -4.715
99 HB3 PHE 15 3HB PHE 15 1.379 -1.089 -5.548
100 HD1 PHE 15 1HD PHE 15 4.978 -0.155 -5.456
101 HD2 PHE 15 2HD PHE 15 1.422 -0.466 -7.775
102 HE1 PHE 15 1HE PHE 15 6.253 0.417 -7.481
103 HE2 PHE 15 2HE PHE 15 2.691 0.105 -9.804
104 HZ PHE 15 HZ PHE 15 5.110 0.547 -9.659
105 HA PRO 16 HA PRO 16 -0.092 0.283 -5.831
106 HB2 PRO 16 2HB PRO 16 -2.493 1.546 -5.721
107 HB3 PRO 16 3HB PRO 16 -2.327 -0.210 -5.621
108 HG2 PRO 16 2HG PRO 16 -2.695 1.787 -3.422
109 HG3 PRO 16 3HG PRO 16 -3.465 0.204 -3.636
110 HD2 PRO 16 2HD PRO 16 -1.380 0.595 -1.953
111 HD3 PRO 16 3HD PRO 16 -1.637 -0.936 -2.814
112 H CYS 17 HN CYS 17 -1.098 2.832 -3.539
113 HA CYS 17 HA CYS 17 0.740 4.705 -4.752
114 HB2 CYS 17 2HB CYS 17 -2.167 5.489 -4.693
115 HB3 CYS 17 3HB CYS 17 -0.833 6.294 -5.511
116 H ARG 18 HN ARG 18 -2.256 5.035 -2.852
117 HA ARG 18 HA ARG 18 -1.372 5.129 -0.315
118 HB2 ARG 18 2HB ARG 18 0.305 6.690 -0.507
119 HB3 ARG 18 3HB ARG 18 -0.514 7.571 -1.788
120 HG2 ARG 18 2HG ARG 18 -0.367 8.850 0.302
121 HG3 ARG 18 3HG ARG 18 -2.034 8.557 -0.196
122 HD2 ARG 18 2HD ARG 18 -2.368 7.819 1.884
123 HD3 ARG 18 3HD ARG 18 -1.469 6.384 1.391
124 HE ARG 18 HE ARG 18 -0.537 8.528 3.100
125 HH11 ARG 18 1HH1 ARG 18 0.304 5.768 1.151
126 HH12 ARG 18 2HH1 ARG 18 1.822 5.507 1.945
127 HH21 ARG 18 1HH2 ARG 18 1.459 8.194 4.153
128 HH22 ARG 18 2HH2 ARG 18 2.477 6.887 3.652
129 H VAL 19 HN VAL 19 -3.333 6.564 -2.766
130 HA VAL 19 HA VAL 19 -5.301 7.490 -0.801
131 HB VAL 19 HB VAL 19 -5.302 9.186 -2.291
132 HG11 VAL 19 1HG1 VAL 19 -4.524 7.260 -4.479
133 HG12 VAL 19 2HG1 VAL 19 -4.621 9.015 -4.631
134 HG13 VAL 19 3HG1 VAL 19 -3.420 8.287 -3.563
135 HG21 VAL 19 1HG2 VAL 19 -7.132 9.099 -3.753
136 HG22 VAL 19 2HG2 VAL 19 -6.912 7.377 -4.068
137 HG23 VAL 19 3HG2 VAL 19 -7.511 7.917 -2.500
138 H CYS 20 HN CYS 20 -5.287 5.634 -3.852
139 HA CYS 20 HA CYS 20 -7.743 4.634 -4.032
140 HB2 CYS 20 2HB CYS 20 -6.417 2.304 -4.436
141 HB3 CYS 20 3HB CYS 20 -6.487 3.610 -5.614
142 H THR 21 HN THR 21 -5.638 2.219 -2.632
143 HA THR 21 HA THR 21 -7.456 1.976 -0.329
144 HB THR 21 HB THR 21 -7.846 -0.250 -0.631
145 HG1 THR 21 1HG THR 21 -6.351 -1.657 -1.621
146 HG21 THR 21 1HG2 THR 21 -8.571 1.010 -2.701
147 HG22 THR 21 2HG2 THR 21 -8.373 -0.731 -2.898
148 HG23 THR 21 3HG2 THR 21 -7.131 0.372 -3.491
149 H ARG 22 HN ARG 22 -6.118 -0.345 0.695
150 HA ARG 22 HA ARG 22 -4.202 0.806 2.329
151 HB2 ARG 22 2HB ARG 22 -5.362 -1.733 2.022
152 HB3 ARG 22 3HB ARG 22 -3.625 -1.993 1.918
153 HG2 ARG 22 2HG ARG 22 -3.251 -1.207 4.071
154 HG3 ARG 22 3HG ARG 22 -4.795 -0.354 4.130
155 HD2 ARG 22 2HD ARG 22 -6.007 -2.353 4.402
156 HD3 ARG 22 3HD ARG 22 -4.633 -3.346 3.917
157 HE ARG 22 HE ARG 22 -3.743 -2.096 6.146
158 HH11 ARG 22 1HH1 ARG 22 -6.588 -3.966 5.417
159 HH12 ARG 22 2HH1 ARG 22 -6.757 -4.579 7.030
160 HH21 ARG 22 1HH2 ARG 22 -3.955 -2.896 8.273
161 HH22 ARG 22 2HH2 ARG 22 -5.259 -3.968 8.653
162 H VAL 23 HN VAL 23 -1.936 -0.720 2.344
163 HA VAL 23 HA VAL 23 -0.629 0.068 -0.177
164 HB VAL 23 HB VAL 23 1.469 0.225 1.123
165 HG11 VAL 23 1HG1 VAL 23 -0.722 1.925 2.304
166 HG12 VAL 23 2HG1 VAL 23 0.991 2.330 2.172
167 HG13 VAL 23 3HG1 VAL 23 0.001 2.192 0.718
168 HG21 VAL 23 1HG2 VAL 23 1.315 0.283 3.599
169 HG22 VAL 23 2HG2 VAL 23 -0.344 -0.303 3.476
170 HG23 VAL 23 3HG2 VAL 23 0.991 -1.310 2.917
171 H PHE 24 HN PHE 24 0.205 -1.492 -1.393
172 HA PHE 24 HA PHE 24 1.236 -3.924 -0.181
173 HB2 PHE 24 2HB PHE 24 -0.160 -5.082 -2.194
174 HB3 PHE 24 3HB PHE 24 -0.737 -4.985 -0.534
175 HD1 PHE 24 1HD PHE 24 -1.127 -3.736 -3.932
176 HD2 PHE 24 2HD PHE 24 -2.463 -3.393 0.094
177 HE1 PHE 24 1HE PHE 24 -3.104 -2.488 -4.699
178 HE2 PHE 24 2HE PHE 24 -4.443 -2.146 -0.666
179 HZ PHE 24 HZ PHE 24 -4.766 -1.692 -3.065
180 H HIS 25 HN HIS 25 2.447 -5.253 -1.712
181 HA HIS 25 HA HIS 25 3.791 -3.575 -3.675
182 HB2 HIS 25 2HB HIS 25 4.438 -6.316 -2.578
183 HB3 HIS 25 3HB HIS 25 5.409 -5.488 -3.791
184 HD2 HIS 25 2HD HIS 25 4.514 -2.750 -1.501
185 HE1 HIS 25 1HE HIS 25 7.934 -4.516 0.282
186 HE2 HIS 25 2HE HIS 25 6.354 -2.556 0.306
187 H ASP 26 HN ASP 26 3.592 -3.777 -5.819
188 HA ASP 26 HA ASP 26 1.510 -5.023 -7.068
189 HB2 ASP 26 2HB ASP 26 3.037 -4.984 -9.151
190 HB3 ASP 26 3HB ASP 26 2.674 -3.453 -8.357
191 H GLY 27 HN GLY 27 4.465 -6.455 -5.969
192 HA2 GLY 27 1HA GLY 27 4.018 -8.900 -7.502
193 HA3 GLY 27 2HA GLY 27 5.401 -8.555 -6.475
194 H CYS 28 HN CYS 28 3.648 -7.687 -4.251
195 HA CYS 28 HA CYS 28 3.412 -10.196 -2.953
196 HB2 CYS 28 2HB CYS 28 2.750 -7.369 -2.262
197 HB3 CYS 28 3HB CYS 28 2.050 -8.652 -1.280
198 H LEU 29 HN LEU 29 1.085 -8.019 -4.463
199 HA LEU 29 HA LEU 29 -1.291 -9.158 -3.615
200 HB2 LEU 29 2HB LEU 29 -0.649 -7.995 -6.322
201 HB3 LEU 29 3HB LEU 29 -2.272 -8.284 -5.697
202 HG LEU 29 HG LEU 29 -0.348 -6.448 -4.300
203 HD11 LEU 29 1HD1 LEU 29 -1.053 -5.992 -6.863
204 HD12 LEU 29 2HD1 LEU 29 -0.771 -4.720 -5.675
205 HD13 LEU 29 3HD1 LEU 29 -2.415 -5.255 -6.020
206 HD21 LEU 29 1HD2 LEU 29 -2.159 -5.741 -3.090
207 HD22 LEU 29 2HD2 LEU 29 -2.598 -7.428 -3.356
208 HD23 LEU 29 3HD2 LEU 29 -3.311 -6.162 -4.357
209 H ARG 30 HN ARG 30 0.884 -10.178 -6.194
210 HA ARG 30 HA ARG 30 -0.866 -12.245 -7.146
211 HB2 ARG 30 2HB ARG 30 2.065 -11.706 -7.653
212 HB3 ARG 30 3HB ARG 30 1.132 -12.955 -8.466
213 HG2 ARG 30 2HG ARG 30 -0.148 -11.406 -9.642
214 HG3 ARG 30 3HG ARG 30 0.275 -10.088 -8.547
215 HD2 ARG 30 2HD ARG 30 1.459 -9.798 -10.622
216 HD3 ARG 30 3HD ARG 30 2.610 -10.226 -9.357
217 HE ARG 30 HE ARG 30 1.907 -12.600 -10.545
218 HH11 ARG 30 1HH1 ARG 30 3.323 -9.593 -11.579
219 HH12 ARG 30 2HH1 ARG 30 4.251 -10.317 -12.850
220 HH21 ARG 30 1HH2 ARG 30 3.124 -13.565 -12.216
221 HH22 ARG 30 2HH2 ARG 30 4.136 -12.576 -13.214
222 H ARG 31 HN ARG 31 1.973 -12.086 -5.047
223 HA ARG 31 HA ARG 31 2.358 -14.846 -4.716
224 HB2 ARG 31 2HB ARG 31 3.529 -12.494 -3.743
225 HB3 ARG 31 3HB ARG 31 2.987 -13.363 -2.313
226 HG2 ARG 31 2HG ARG 31 4.842 -14.373 -4.456
227 HG3 ARG 31 3HG ARG 31 5.248 -13.980 -2.784
228 HD2 ARG 31 2HD ARG 31 3.101 -15.972 -3.210
229 HD3 ARG 31 3HD ARG 31 4.741 -16.471 -3.622
230 HE ARG 31 HE ARG 31 4.581 -15.253 -1.041
231 HH11 ARG 31 1HH1 ARG 31 4.097 -18.220 -2.797
232 HH12 ARG 31 2HH1 ARG 31 4.340 -19.232 -1.412
233 HH21 ARG 31 1HH2 ARG 31 4.903 -16.575 0.790
234 HH22 ARG 31 2HH2 ARG 31 4.797 -18.295 0.628
235 H MET 32 HN MET 32 0.220 -12.569 -3.113
236 HA MET 32 HA MET 32 -0.669 -14.580 -1.207
237 HB2 MET 32 2HB MET 32 -1.412 -11.684 -1.620
238 HB3 MET 32 3HB MET 32 -2.187 -12.716 -0.426
239 HG2 MET 32 2HG MET 32 0.783 -12.391 -0.457
240 HG3 MET 32 3HG MET 32 -0.250 -11.178 0.295
241 HE1 MET 32 1HE MET 32 -1.674 -11.434 2.189
242 HE2 MET 32 2HE MET 32 -2.594 -12.906 1.875
243 HE3 MET 32 3HE MET 32 -1.669 -12.745 3.369
244 H GLY 33 HN GLY 33 -1.328 -13.875 -4.355
245 HA2 GLY 33 1HA GLY 33 -2.984 -14.622 -5.769
246 HA3 GLY 33 2HA GLY 33 -3.668 -15.495 -4.405
247 H TYR 34 HN TYR 34 -3.175 -12.111 -4.026
248 HA TYR 34 HA TYR 34 -5.938 -11.645 -3.565
249 HB2 TYR 34 2HB TYR 34 -3.500 -9.902 -3.695
250 HB3 TYR 34 3HB TYR 34 -5.101 -9.172 -3.613
251 HD1 TYR 34 1HD TYR 34 -2.435 -9.822 -1.657
252 HD2 TYR 34 2HD TYR 34 -6.604 -10.665 -1.749
253 HE1 TYR 34 1HE TYR 34 -2.427 -10.095 0.787
254 HE2 TYR 34 2HE TYR 34 -6.608 -10.940 0.695
255 HH TYR 34 HH TYR 34 -3.995 -9.990 2.656
256 H ILE 35 HN ILE 35 -3.794 -11.120 -6.291
257 HA ILE 35 HA ILE 35 -6.136 -10.440 -7.925
258 HB ILE 35 HB ILE 35 -4.972 -8.716 -9.112
259 HG12 ILE 35 2HG1 ILE 35 -2.653 -8.075 -7.875
260 HG13 ILE 35 3HG1 ILE 35 -2.629 -9.823 -7.682
261 HG21 ILE 35 1HG2 ILE 35 -5.271 -7.091 -7.570
262 HG22 ILE 35 2HG2 ILE 35 -5.901 -8.430 -6.611
263 HG23 ILE 35 3HG2 ILE 35 -4.241 -7.883 -6.377
264 HD11 ILE 35 1HD1 ILE 35 -1.866 -10.016 -9.742
265 HD12 ILE 35 2HD1 ILE 35 -3.349 -9.284 -10.355
266 HD13 ILE 35 3HD1 ILE 35 -1.963 -8.268 -9.960
267 H GLN 36 HN GLN 36 -5.631 -10.631 -10.302
268 HA GLN 36 HA GLN 36 -3.533 -12.594 -10.871
269 HB2 GLN 36 2HB GLN 36 -6.435 -12.912 -11.655
270 HB3 GLN 36 3HB GLN 36 -5.120 -13.938 -12.214
271 HG2 GLN 36 2HG GLN 36 -5.668 -15.250 -10.503
272 HG3 GLN 36 3HG GLN 36 -4.820 -14.068 -9.509
273 HE21 GLN 36 1HE2 GLN 36 -8.007 -14.313 -11.061
274 HE22 GLN 36 2HE2 GLN 36 -8.912 -13.870 -9.658
275 H GLY 37 HN GLY 37 -2.698 -10.461 -11.705
276 HA2 GLY 37 1HA GLY 37 -3.120 -10.378 -14.553
277 HA3 GLY 37 2HA GLY 37 -3.709 -8.944 -13.725
278 H ASP 38 HN ASP 38 -1.847 -8.480 -15.535
279 HA ASP 38 HA ASP 38 0.627 -8.100 -13.978
280 HB2 ASP 38 2HB ASP 38 1.084 -9.652 -15.762
281 HB3 ASP 38 3HB ASP 38 0.301 -8.602 -16.940
282 H SER 39 HN SER 39 1.558 -6.098 -13.970
283 HA SER 39 HA SER 39 0.025 -3.961 -15.297
284 HB2 SER 39 2HB SER 39 -0.144 -3.720 -12.915
285 HB3 SER 39 3HB SER 39 1.594 -3.945 -12.712
286 HG SER 39 HG SER 39 0.634 -1.698 -12.724
287 H ALA 40 HN ALA 40 1.238 -2.074 -15.998
288 HA ALA 40 HA ALA 40 4.012 -2.737 -16.748
289 HB1 ALA 40 1HB ALA 40 2.171 -2.684 -18.576
290 HB2 ALA 40 2HB ALA 40 2.311 -0.932 -18.418
291 HB3 ALA 40 3HB ALA 40 3.717 -1.892 -18.880
292 H ALA 41 HN ALA 41 4.492 -0.190 -17.958
293 HA ALA 41 HA ALA 41 5.429 1.807 -17.379
294 HB1 ALA 41 1HB ALA 41 3.833 3.290 -16.918
295 HB2 ALA 41 2HB ALA 41 2.728 1.919 -16.815
296 HB3 ALA 41 3HB ALA 41 3.487 2.552 -15.354
297 H GLU 42 HN GLU 42 7.314 1.351 -16.348
298 HA GLU 42 HA GLU 42 7.389 1.763 -13.499
299 HB2 GLU 42 2HB GLU 42 8.107 -0.906 -14.700
300 HB3 GLU 42 3HB GLU 42 8.736 -0.374 -13.147
301 HG2 GLU 42 2HG GLU 42 6.186 0.027 -12.633
302 HG3 GLU 42 3HG GLU 42 5.980 -1.174 -13.907
303 H VAL 43 HN VAL 43 8.556 3.592 -14.405
304 HA VAL 43 HA VAL 43 11.382 2.924 -14.858
305 HB VAL 43 HB VAL 43 10.737 3.474 -17.040
306 HG11 VAL 43 1HG1 VAL 43 8.522 4.241 -16.753
307 HG12 VAL 43 2HG1 VAL 43 9.045 5.628 -15.797
308 HG13 VAL 43 3HG1 VAL 43 9.394 5.564 -17.525
309 HG21 VAL 43 1HG2 VAL 43 12.577 4.960 -15.812
310 HG22 VAL 43 2HG2 VAL 43 12.154 5.191 -17.509
311 HG23 VAL 43 3HG2 VAL 43 11.461 6.244 -16.276
312 H THR 44 HN THR 44 11.935 3.487 -12.766
313 HA THR 44 HA THR 44 12.559 4.844 -11.047
314 HB THR 44 HB THR 44 12.363 7.002 -13.158
315 HG1 THR 44 1HG THR 44 13.913 5.101 -13.321
316 HG21 THR 44 1HG2 THR 44 14.097 8.085 -11.582
317 HG22 THR 44 2HG2 THR 44 13.447 6.993 -10.360
318 HG23 THR 44 3HG2 THR 44 12.393 8.173 -11.137
319 H GLU 45 HN GLU 45 11.112 5.019 -9.463
320 HA GLU 45 HA GLU 45 8.802 6.800 -9.874
321 HB2 GLU 45 2HB GLU 45 8.972 4.448 -7.986
322 HB3 GLU 45 3HB GLU 45 7.556 5.440 -8.300
323 HG2 GLU 45 2HG GLU 45 7.367 4.605 -10.520
324 HG3 GLU 45 3HG GLU 45 8.923 3.787 -10.405
325 H MET 46 HN MET 46 8.193 8.183 -8.192
326 HA MET 46 HA MET 46 10.002 8.363 -5.893
327 HB2 MET 46 2HB MET 46 9.226 10.762 -7.557
328 HB3 MET 46 3HB MET 46 10.307 10.741 -6.169
329 HG2 MET 46 2HG MET 46 11.281 8.886 -8.086
330 HG3 MET 46 3HG MET 46 10.934 10.407 -8.905
331 HE1 MET 46 1HE MET 46 11.753 12.520 -8.438
332 HE2 MET 46 2HE MET 46 11.946 12.830 -6.713
333 HE3 MET 46 3HE MET 46 13.350 12.877 -7.781
334 H ALA 47 HN ALA 47 7.400 7.328 -5.945
335 HA ALA 47 HA ALA 47 5.480 7.418 -4.722
336 HB1 ALA 47 1HB ALA 47 7.301 8.858 -3.236
337 HB2 ALA 47 2HB ALA 47 5.921 9.949 -3.365
338 HB3 ALA 47 3HB ALA 47 5.707 8.330 -2.700
339 H HIS 48 HN HIS 48 6.074 10.910 -5.003
340 HA HIS 48 HA HIS 48 3.802 11.099 -6.856
341 HB2 HIS 48 2HB HIS 48 3.069 11.646 -4.533
342 HB3 HIS 48 3HB HIS 48 4.246 12.956 -4.509
343 HD1 HIS 48 1HD HIS 48 1.731 14.141 -4.037
344 HD2 HIS 48 2HD HIS 48 2.748 13.060 -7.917
345 HE1 HIS 48 1HE HIS 48 0.223 15.493 -5.528
346 H THR 49 HN THR 49 5.673 11.226 -8.352
347 HA THR 49 HA THR 49 6.145 13.902 -9.132
348 HB THR 49 HB THR 49 8.797 12.761 -8.588
349 HG1 THR 49 1HG THR 49 8.532 12.501 -6.513
350 HG21 THR 49 1HG2 THR 49 8.108 15.096 -9.464
351 HG22 THR 49 2HG2 THR 49 9.398 14.991 -8.266
352 HG23 THR 49 3HG2 THR 49 7.770 15.459 -7.772
353 H GLU 50 HN GLU 50 7.210 10.542 -9.290
354 HA GLU 50 HA GLU 50 8.470 10.657 -11.800
355 HB2 GLU 50 2HB GLU 50 8.398 8.278 -11.796
356 HB3 GLU 50 3HB GLU 50 8.619 8.780 -10.125
357 HG2 GLU 50 2HG GLU 50 6.836 7.626 -9.528
358 HG3 GLU 50 3HG GLU 50 5.834 8.584 -10.619
359 H THR 51 HN THR 51 7.199 8.621 -13.273
360 HA THR 51 HA THR 51 5.533 10.039 -14.952
361 HB THR 51 HB THR 51 4.696 7.766 -15.729
362 HG1 THR 51 1HG THR 51 5.522 5.975 -14.760
363 HG21 THR 51 1HG2 THR 51 6.620 8.876 -16.756
364 HG22 THR 51 2HG2 THR 51 6.864 7.129 -16.682
365 HG23 THR 51 3HG2 THR 51 7.680 8.184 -15.528
366 H GLY 52 HN GLY 52 4.574 7.755 -12.388
367 HA2 GLY 52 1HA GLY 52 2.512 9.036 -11.250
368 HA3 GLY 52 2HA GLY 52 1.777 8.454 -12.736
369 H TRP 53 HN TRP 53 1.985 7.790 -9.592
370 HA TRP 53 HA TRP 53 2.556 4.999 -9.577
371 HB2 TRP 53 2HB TRP 53 1.346 5.137 -7.306
372 HB3 TRP 53 3HB TRP 53 2.831 6.062 -7.503
373 HD1 TRP 53 1HD TRP 53 -0.035 7.704 -9.218
374 HE1 TRP 53 1HE TRP 53 -0.874 9.700 -7.827
375 HE3 TRP 53 3HE TRP 53 2.483 6.778 -4.866
376 HZ2 TRP 53 2HZ TRP 53 -0.515 10.745 -5.229
377 HZ3 TRP 53 3HZ TRP 53 2.181 8.323 -2.977
378 HH2 TRP 53 2HH TRP 53 0.713 10.266 -3.156
379 H SER 54 HN SER 54 1.340 3.761 -10.899
380 HA SER 54 HA SER 54 -1.583 4.042 -10.773
381 HB2 SER 54 2HB SER 54 -1.365 2.414 -12.822
382 HB3 SER 54 3HB SER 54 -1.037 4.134 -13.027
383 HG SER 54 HG SER 54 0.557 2.442 -13.822
384 H CYS 55 HN CYS 55 -2.907 2.210 -10.488
385 HA CYS 55 HA CYS 55 -1.620 -0.276 -9.660
386 HB2 CYS 55 2HB CYS 55 -2.804 -0.386 -7.555
387 HB3 CYS 55 3HB CYS 55 -1.883 1.114 -7.611
388 H HIS 56 HN HIS 56 -3.170 -2.060 -9.419
389 HA HIS 56 HA HIS 56 -4.745 -2.525 -11.560
390 HB2 HIS 56 2HB HIS 56 -4.146 -4.052 -9.533
391 HB3 HIS 56 3HB HIS 56 -5.693 -3.511 -8.890
392 HD1 HIS 56 1HD HIS 56 -7.828 -4.360 -10.065
393 HD2 HIS 56 2HD HIS 56 -4.300 -5.795 -11.722
394 HE1 HIS 56 1HE HIS 56 -8.518 -6.232 -11.595
395 H TYR 57 HN TYR 57 -5.877 -1.105 -8.503
396 HA TYR 57 HA TYR 57 -8.263 -0.145 -9.944
397 HB2 TYR 57 2HB TYR 57 -9.010 -0.064 -7.320
398 HB3 TYR 57 3HB TYR 57 -9.380 -1.385 -8.423
399 HD1 TYR 57 1HD TYR 57 -6.318 -0.378 -6.519
400 HD2 TYR 57 2HD TYR 57 -9.166 -3.422 -7.373
401 HE1 TYR 57 1HE TYR 57 -5.087 -1.931 -5.062
402 HE2 TYR 57 2HE TYR 57 -7.943 -4.982 -5.917
403 HH TYR 57 HH TYR 57 -6.358 -4.802 -3.944
404 H CYS 58 HN CYS 58 -6.632 1.624 -10.427
405 HA CYS 58 HA CYS 58 -6.109 3.450 -8.233
406 HB2 CYS 58 2HB CYS 58 -4.940 2.937 -10.772
407 HB3 CYS 58 3HB CYS 58 -5.495 4.607 -10.774
408 H ASP 59 HN ASP 59 -7.391 4.080 -11.492
409 HA ASP 59 HA ASP 59 -9.258 6.007 -10.291
410 HB2 ASP 59 2HB ASP 59 -7.729 5.924 -12.814
411 HB3 ASP 59 3HB ASP 59 -9.383 6.514 -12.962
412 H ASN 60 HN ASN 60 -9.357 2.921 -10.987
413 HA ASN 60 HA ASN 60 -12.013 3.031 -12.261
414 HB2 ASN 60 2HB ASN 60 -9.891 1.725 -13.271
415 HB3 ASN 60 3HB ASN 60 -10.519 0.465 -12.213
416 HD21 ASN 60 1HD2 ASN 60 -11.128 -0.851 -13.904
417 HD22 ASN 60 2HD2 ASN 60 -12.468 -0.488 -14.932
Start of MODEL 3
1 H1 GLU 1 HN GLU 1 2.518 4.344 5.182
2 HA GLU 1 HA GLU 1 0.694 2.639 3.625
3 HB2 GLU 1 2HB GLU 1 3.010 4.383 2.854
4 HB3 GLU 1 3HB GLU 1 2.533 3.042 1.820
5 HG2 GLU 1 2HG GLU 1 1.318 4.714 0.879
6 HG3 GLU 1 3HG GLU 1 0.153 4.127 2.064
7 H MET 2 HN MET 2 1.473 1.174 5.564
8 HA MET 2 HA MET 2 4.009 -0.134 4.923
9 HB2 MET 2 2HB MET 2 2.239 -0.949 7.198
10 HB3 MET 2 3HB MET 2 3.990 -1.043 7.065
11 HG2 MET 2 2HG MET 2 3.313 1.683 6.898
12 HG3 MET 2 3HG MET 2 2.370 1.001 8.222
13 HE1 MET 2 1HE MET 2 5.717 1.097 6.521
14 HE2 MET 2 2HE MET 2 6.917 1.135 7.813
15 HE3 MET 2 3HE MET 2 6.179 -0.396 7.338
16 H CYS 3 HN CYS 3 3.884 -1.650 3.402
17 HA CYS 3 HA CYS 3 1.792 -2.898 2.283
18 HB2 CYS 3 2HB CYS 3 4.167 -3.235 1.630
19 HB3 CYS 3 3HB CYS 3 4.363 -4.324 2.998
20 H ASP 4 HN ASP 4 0.263 -4.340 2.792
21 HA ASP 4 HA ASP 4 -0.012 -5.201 5.509
22 HB2 ASP 4 2HB ASP 4 -1.827 -4.621 3.654
23 HB3 ASP 4 3HB ASP 4 -1.714 -6.351 3.348
24 H VAL 5 HN VAL 5 1.984 -6.309 3.249
25 HA VAL 5 HA VAL 5 1.777 -9.090 4.196
26 HB VAL 5 HB VAL 5 2.585 -8.198 1.425
27 HG11 VAL 5 1HG1 VAL 5 2.442 -10.787 1.107
28 HG12 VAL 5 2HG1 VAL 5 3.909 -10.054 1.759
29 HG13 VAL 5 3HG1 VAL 5 2.746 -10.819 2.844
30 HG21 VAL 5 1HG2 VAL 5 0.183 -9.756 2.377
31 HG22 VAL 5 2HG2 VAL 5 0.176 -8.096 1.783
32 HG23 VAL 5 3HG2 VAL 5 0.591 -9.420 0.694
33 H CYS 6 HN CYS 6 3.580 -6.324 4.174
34 HA CYS 6 HA CYS 6 5.990 -7.800 4.928
35 HB2 CYS 6 2HB CYS 6 6.017 -5.466 3.002
36 HB3 CYS 6 3HB CYS 6 7.431 -6.311 3.625
37 H GLU 7 HN GLU 7 4.229 -4.747 4.847
38 HA GLU 7 HA GLU 7 4.041 -3.067 6.372
39 HB2 GLU 7 2HB GLU 7 5.593 -4.842 8.258
40 HB3 GLU 7 3HB GLU 7 4.554 -3.492 8.686
41 HG2 GLU 7 2HG GLU 7 2.607 -4.670 8.171
42 HG3 GLU 7 3HG GLU 7 3.482 -5.884 7.239
43 H VAL 8 HN VAL 8 5.760 -2.385 4.628
44 HA VAL 8 HA VAL 8 7.768 -0.910 6.051
45 HB VAL 8 HB VAL 8 9.494 -1.897 4.229
46 HG11 VAL 8 1HG1 VAL 8 9.064 -2.109 7.048
47 HG12 VAL 8 2HG1 VAL 8 9.736 -3.624 6.441
48 HG13 VAL 8 3HG1 VAL 8 10.583 -2.104 6.153
49 HG21 VAL 8 1HG2 VAL 8 7.793 -4.247 5.059
50 HG22 VAL 8 2HG2 VAL 8 7.907 -3.581 3.430
51 HG23 VAL 8 3HG2 VAL 8 9.318 -4.331 4.176
52 H TRP 9 HN TRP 9 7.632 1.032 5.163
53 HA TRP 9 HA TRP 9 6.890 1.268 2.337
54 HB2 TRP 9 2HB TRP 9 5.457 2.698 3.389
55 HB3 TRP 9 3HB TRP 9 6.553 2.970 4.741
56 HD1 TRP 9 1HD TRP 9 8.230 5.011 4.573
57 HE1 TRP 9 1HE TRP 9 8.381 7.023 2.975
58 HE3 TRP 9 3HE TRP 9 5.059 3.378 0.910
59 HZ2 TRP 9 2HZ TRP 9 7.298 7.814 0.492
60 HZ3 TRP 9 3HZ TRP 9 4.670 4.823 -1.043
61 HH2 TRP 9 2HH TRP 9 5.767 6.995 -1.246
62 H THR 10 HN THR 10 7.925 3.103 1.126
63 HA THR 10 HA THR 10 10.698 3.602 1.923
64 HB THR 10 HB THR 10 11.204 3.222 -0.645
65 HG1 THR 10 1HG THR 10 8.742 2.388 -0.539
66 HG21 THR 10 1HG2 THR 10 12.331 1.332 -0.026
67 HG22 THR 10 2HG2 THR 10 10.962 0.679 0.873
68 HG23 THR 10 3HG2 THR 10 11.945 1.964 1.573
69 H ALA 11 HN ALA 11 9.482 4.121 -1.303
70 HA ALA 11 HA ALA 11 8.267 6.536 -1.255
71 HB1 ALA 11 1HB ALA 11 9.704 7.944 -0.287
72 HB2 ALA 11 2HB ALA 11 11.052 6.816 -0.445
73 HB3 ALA 11 3HB ALA 11 10.612 7.860 -1.798
74 H GLU 12 HN GLU 12 10.955 4.802 -2.740
75 HA GLU 12 HA GLU 12 11.251 5.818 -5.190
76 HB2 GLU 12 2HB GLU 12 10.649 2.884 -5.013
77 HB3 GLU 12 3HB GLU 12 11.863 3.707 -5.982
78 HG2 GLU 12 2HG GLU 12 12.775 4.344 -3.564
79 HG3 GLU 12 3HG GLU 12 11.952 2.839 -3.158
80 H SER 13 HN SER 13 8.803 3.265 -4.762
81 HA SER 13 HA SER 13 6.683 4.735 -5.915
82 HB2 SER 13 2HB SER 13 8.067 4.461 -7.957
83 HB3 SER 13 3HB SER 13 7.978 2.711 -7.758
84 HG SER 13 HG SER 13 6.176 2.834 -8.814
85 H LEU 14 HN LEU 14 6.115 3.639 -3.822
86 HA LEU 14 HA LEU 14 5.586 0.798 -3.964
87 HB2 LEU 14 2HB LEU 14 5.973 2.670 -1.915
88 HB3 LEU 14 3HB LEU 14 4.303 2.129 -1.757
89 HG LEU 14 HG LEU 14 6.676 0.269 -1.846
90 HD11 LEU 14 1HD1 LEU 14 6.852 1.661 0.121
91 HD12 LEU 14 2HD1 LEU 14 6.333 0.040 0.583
92 HD13 LEU 14 3HD1 LEU 14 5.162 1.357 0.524
93 HD21 LEU 14 1HD2 LEU 14 4.993 -1.155 -2.308
94 HD22 LEU 14 2HD2 LEU 14 3.753 -0.058 -1.700
95 HD23 LEU 14 3HD2 LEU 14 4.690 -1.042 -0.574
96 H PHE 15 HN PHE 15 3.715 -0.141 -4.498
97 HA PHE 15 HA PHE 15 1.535 1.530 -5.411
98 HB2 PHE 15 2HB PHE 15 2.037 -1.445 -5.505
99 HB3 PHE 15 3HB PHE 15 0.534 -0.717 -6.061
100 HD1 PHE 15 1HD PHE 15 4.205 -0.190 -6.494
101 HD2 PHE 15 2HD PHE 15 0.358 -0.338 -8.311
102 HE1 PHE 15 1HE PHE 15 5.229 0.232 -8.691
103 HE2 PHE 15 2HE PHE 15 1.376 0.083 -10.509
104 HZ PHE 15 HZ PHE 15 3.815 0.367 -10.703
105 HA PRO 16 HA PRO 16 -0.684 0.880 -5.978
106 HB2 PRO 16 2HB PRO 16 -2.741 2.541 -5.360
107 HB3 PRO 16 3HB PRO 16 -2.887 0.779 -5.336
108 HG2 PRO 16 2HG PRO 16 -2.449 2.673 -3.061
109 HG3 PRO 16 3HG PRO 16 -3.525 1.268 -3.154
110 HD2 PRO 16 2HD PRO 16 -1.120 1.181 -1.914
111 HD3 PRO 16 3HD PRO 16 -1.817 -0.225 -2.744
112 H CYS 17 HN CYS 17 -0.736 3.424 -3.471
113 HA CYS 17 HA CYS 17 1.296 4.970 -4.648
114 HB2 CYS 17 2HB CYS 17 -0.134 6.900 -5.402
115 HB3 CYS 17 3HB CYS 17 -0.224 5.471 -6.426
116 H ARG 18 HN ARG 18 -1.791 5.312 -2.907
117 HA ARG 18 HA ARG 18 -0.919 5.739 -0.396
118 HB2 ARG 18 2HB ARG 18 0.382 7.571 -0.486
119 HB3 ARG 18 3HB ARG 18 -0.207 8.014 -2.083
120 HG2 ARG 18 2HG ARG 18 -0.666 9.728 -0.383
121 HG3 ARG 18 3HG ARG 18 -2.136 9.090 -1.121
122 HD2 ARG 18 2HD ARG 18 -2.889 8.714 0.939
123 HD3 ARG 18 3HD ARG 18 -1.682 7.435 1.060
124 HE ARG 18 HE ARG 18 -0.437 8.775 2.448
125 HH11 ARG 18 1HH1 ARG 18 -2.933 10.668 0.930
126 HH12 ARG 18 2HH1 ARG 18 -2.663 12.060 1.924
127 HH21 ARG 18 1HH2 ARG 18 -0.072 10.603 3.764
128 HH22 ARG 18 2HH2 ARG 18 -1.035 12.022 3.535
129 H VAL 19 HN VAL 19 -2.890 7.614 -2.700
130 HA VAL 19 HA VAL 19 -5.020 7.988 -0.822
131 HB VAL 19 HB VAL 19 -5.109 8.350 -3.820
132 HG11 VAL 19 1HG1 VAL 19 -6.881 9.192 -1.557
133 HG12 VAL 19 2HG1 VAL 19 -6.833 10.116 -3.058
134 HG13 VAL 19 3HG1 VAL 19 -7.310 8.418 -3.082
135 HG21 VAL 19 1HG2 VAL 19 -4.036 10.078 -1.633
136 HG22 VAL 19 2HG2 VAL 19 -3.388 9.773 -3.245
137 HG23 VAL 19 3HG2 VAL 19 -4.789 10.825 -3.043
138 H CYS 20 HN CYS 20 -4.593 5.981 -3.727
139 HA CYS 20 HA CYS 20 -6.940 4.780 -4.105
140 HB2 CYS 20 2HB CYS 20 -4.159 3.775 -4.186
141 HB3 CYS 20 3HB CYS 20 -5.415 2.542 -4.162
142 H THR 21 HN THR 21 -4.683 3.056 -1.972
143 HA THR 21 HA THR 21 -6.313 2.962 0.299
144 HB THR 21 HB THR 21 -7.803 1.658 -1.248
145 HG1 THR 21 1HG THR 21 -8.151 0.011 0.331
146 HG21 THR 21 1HG2 THR 21 -5.364 0.290 -1.786
147 HG22 THR 21 2HG2 THR 21 -6.950 0.038 -2.514
148 HG23 THR 21 3HG2 THR 21 -6.494 -0.854 -1.063
149 H ARG 22 HN ARG 22 -5.777 0.164 0.950
150 HA ARG 22 HA ARG 22 -3.437 0.300 2.306
151 HB2 ARG 22 2HB ARG 22 -4.957 -1.980 1.136
152 HB3 ARG 22 3HB ARG 22 -3.354 -2.305 1.783
153 HG2 ARG 22 2HG ARG 22 -4.440 -0.859 3.801
154 HG3 ARG 22 3HG ARG 22 -5.862 -1.689 3.169
155 HD2 ARG 22 2HD ARG 22 -5.128 -3.728 3.824
156 HD3 ARG 22 3HD ARG 22 -3.438 -3.336 3.509
157 HE ARG 22 HE ARG 22 -3.228 -2.837 5.717
158 HH11 ARG 22 1HH1 ARG 22 -6.579 -2.498 4.832
159 HH12 ARG 22 2HH1 ARG 22 -7.102 -2.134 6.444
160 HH21 ARG 22 1HH2 ARG 22 -3.905 -2.359 7.842
161 HH22 ARG 22 2HH2 ARG 22 -5.580 -2.055 8.155
162 H VAL 23 HN VAL 23 -1.364 -0.903 1.933
163 HA VAL 23 HA VAL 23 -0.399 -0.327 -0.783
164 HB VAL 23 HB VAL 23 0.989 0.883 0.592
165 HG11 VAL 23 1HG1 VAL 23 0.519 -1.291 2.590
166 HG12 VAL 23 2HG1 VAL 23 1.895 -0.200 2.774
167 HG13 VAL 23 3HG1 VAL 23 0.253 0.446 2.739
168 HG21 VAL 23 1HG2 VAL 23 3.074 -0.027 0.343
169 HG22 VAL 23 2HG2 VAL 23 2.570 -1.619 0.913
170 HG23 VAL 23 3HG2 VAL 23 2.151 -1.091 -0.717
171 H PHE 24 HN PHE 24 0.444 -1.881 -2.052
172 HA PHE 24 HA PHE 24 0.972 -4.522 -0.885
173 HB2 PHE 24 2HB PHE 24 -0.195 -4.702 -3.548
174 HB3 PHE 24 3HB PHE 24 -0.611 -5.579 -2.079
175 HD1 PHE 24 1HD PHE 24 -1.378 -2.723 -4.199
176 HD2 PHE 24 2HD PHE 24 -2.305 -4.716 -0.554
177 HE1 PHE 24 1HE PHE 24 -3.458 -1.421 -4.020
178 HE2 PHE 24 2HE PHE 24 -4.386 -3.418 -0.369
179 HZ PHE 24 HZ PHE 24 -4.966 -1.768 -2.103
180 H HIS 25 HN HIS 25 2.503 -5.778 -1.987
181 HA HIS 25 HA HIS 25 4.283 -4.216 -3.703
182 HB2 HIS 25 2HB HIS 25 4.695 -6.810 -2.206
183 HB3 HIS 25 3HB HIS 25 5.906 -6.076 -3.253
184 HD2 HIS 25 2HD HIS 25 4.296 -3.275 -1.355
185 HE1 HIS 25 1HE HIS 25 7.577 -4.521 1.029
186 HE2 HIS 25 2HE HIS 25 5.787 -2.780 0.700
187 H ASP 26 HN ASP 26 4.426 -4.558 -5.818
188 HA ASP 26 HA ASP 26 2.763 -5.955 -7.389
189 HB2 ASP 26 2HB ASP 26 4.427 -4.491 -8.347
190 HB3 ASP 26 3HB ASP 26 5.727 -5.565 -7.838
191 H GLY 27 HN GLY 27 5.365 -7.311 -5.511
192 HA2 GLY 27 1HA GLY 27 5.126 -9.914 -6.801
193 HA3 GLY 27 2HA GLY 27 6.258 -9.480 -5.528
194 H CYS 28 HN CYS 28 4.414 -8.422 -3.672
195 HA CYS 28 HA CYS 28 3.666 -10.716 -2.279
196 HB2 CYS 28 2HB CYS 28 2.920 -7.819 -2.045
197 HB3 CYS 28 3HB CYS 28 2.124 -9.016 -1.030
198 H LEU 29 HN LEU 29 1.533 -8.400 -3.959
199 HA LEU 29 HA LEU 29 -0.878 -9.649 -3.631
200 HB2 LEU 29 2HB LEU 29 0.078 -8.322 -6.162
201 HB3 LEU 29 3HB LEU 29 -1.602 -8.585 -5.695
202 HG LEU 29 HG LEU 29 0.239 -6.901 -4.024
203 HD11 LEU 29 1HD1 LEU 29 0.367 -5.389 -5.642
204 HD12 LEU 29 2HD1 LEU 29 -1.381 -5.191 -5.511
205 HD13 LEU 29 3HD1 LEU 29 -0.707 -6.324 -6.684
206 HD21 LEU 29 1HD2 LEU 29 -2.681 -7.427 -4.212
207 HD22 LEU 29 2HD2 LEU 29 -2.150 -5.818 -3.721
208 HD23 LEU 29 3HD2 LEU 29 -1.654 -7.234 -2.792
209 H ARG 30 HN ARG 30 1.528 -10.311 -6.157
210 HA ARG 30 HA ARG 30 0.029 -12.315 -7.469
211 HB2 ARG 30 2HB ARG 30 2.880 -11.442 -7.478
212 HB3 ARG 30 3HB ARG 30 2.492 -13.009 -8.174
213 HG2 ARG 30 2HG ARG 30 1.410 -12.111 -9.949
214 HG3 ARG 30 3HG ARG 30 0.828 -10.720 -9.031
215 HD2 ARG 30 2HD ARG 30 2.500 -9.473 -9.793
216 HD3 ARG 30 3HD ARG 30 3.681 -10.628 -9.181
217 HE ARG 30 HE ARG 30 2.946 -10.249 -11.882
218 HH11 ARG 30 1HH1 ARG 30 3.744 -12.749 -9.595
219 HH12 ARG 30 2HH1 ARG 30 4.357 -13.835 -10.797
220 HH21 ARG 30 1HH2 ARG 30 3.750 -11.670 -13.475
221 HH22 ARG 30 2HH2 ARG 30 4.360 -13.220 -13.004
222 H ARG 31 HN ARG 31 2.699 -12.535 -5.123
223 HA ARG 31 HA ARG 31 2.534 -15.376 -4.912
224 HB2 ARG 31 2HB ARG 31 4.127 -13.217 -3.721
225 HB3 ARG 31 3HB ARG 31 3.826 -14.564 -2.632
226 HG2 ARG 31 2HG ARG 31 4.937 -14.904 -5.404
227 HG3 ARG 31 3HG ARG 31 5.941 -14.699 -3.968
228 HD2 ARG 31 2HD ARG 31 4.267 -16.675 -3.160
229 HD3 ARG 31 3HD ARG 31 4.395 -17.024 -4.884
230 HE ARG 31 HE ARG 31 6.963 -16.577 -3.817
231 HH11 ARG 31 1HH1 ARG 31 4.384 -18.916 -3.776
232 HH12 ARG 31 2HH1 ARG 31 5.435 -20.263 -3.483
233 HH21 ARG 31 1HH2 ARG 31 8.356 -18.341 -3.431
234 HH22 ARG 31 2HH2 ARG 31 7.694 -19.934 -3.286
235 H MET 32 HN MET 32 0.412 -13.095 -3.951
236 HA MET 32 HA MET 32 -0.434 -14.653 -1.596
237 HB2 MET 32 2HB MET 32 -0.662 -11.705 -2.171
238 HB3 MET 32 3HB MET 32 -1.646 -12.495 -0.947
239 HG2 MET 32 2HG MET 32 1.355 -12.310 -1.008
240 HG3 MET 32 3HG MET 32 0.260 -11.470 0.087
241 HE1 MET 32 1HE MET 32 -0.855 -12.161 1.787
242 HE2 MET 32 2HE MET 32 -1.383 -13.811 2.114
243 HE3 MET 32 3HE MET 32 0.039 -13.162 2.933
244 H GLY 33 HN GLY 33 -1.218 -13.596 -4.735
245 HA2 GLY 33 1HA GLY 33 -3.011 -14.200 -6.064
246 HA3 GLY 33 2HA GLY 33 -3.702 -15.040 -4.682
247 H TYR 34 HN TYR 34 -2.903 -11.910 -3.823
248 HA TYR 34 HA TYR 34 -5.508 -11.112 -3.289
249 HB2 TYR 34 2HB TYR 34 -2.862 -9.852 -3.297
250 HB3 TYR 34 3HB TYR 34 -4.177 -8.724 -3.606
251 HD1 TYR 34 1HD TYR 34 -6.283 -9.155 -1.949
252 HD2 TYR 34 2HD TYR 34 -2.217 -10.075 -1.100
253 HE1 TYR 34 1HE TYR 34 -6.771 -9.057 0.459
254 HE2 TYR 34 2HE TYR 34 -2.693 -9.980 1.310
255 HH TYR 34 HH TYR 34 -4.351 -8.942 2.819
256 H ILE 35 HN ILE 35 -3.633 -10.843 -6.211
257 HA ILE 35 HA ILE 35 -5.668 -9.147 -7.456
258 HB ILE 35 HB ILE 35 -4.119 -8.996 -9.361
259 HG12 ILE 35 2HG1 ILE 35 -1.970 -10.320 -7.765
260 HG13 ILE 35 3HG1 ILE 35 -3.103 -11.339 -8.647
261 HG21 ILE 35 1HG2 ILE 35 -3.363 -8.199 -6.612
262 HG22 ILE 35 2HG2 ILE 35 -2.143 -8.005 -7.870
263 HG23 ILE 35 3HG2 ILE 35 -3.707 -7.206 -8.029
264 HD11 ILE 35 1HD1 ILE 35 -1.143 -10.962 -9.979
265 HD12 ILE 35 2HD1 ILE 35 -2.515 -10.134 -10.715
266 HD13 ILE 35 3HD1 ILE 35 -1.316 -9.215 -9.806
267 H GLN 36 HN GLN 36 -6.101 -9.751 -9.845
268 HA GLN 36 HA GLN 36 -6.778 -12.614 -9.922
269 HB2 GLN 36 2HB GLN 36 -8.732 -11.149 -9.900
270 HB3 GLN 36 3HB GLN 36 -8.114 -10.276 -11.297
271 HG2 GLN 36 2HG GLN 36 -8.192 -12.526 -12.506
272 HG3 GLN 36 3HG GLN 36 -9.196 -13.064 -11.160
273 HE21 GLN 36 1HE2 GLN 36 -9.112 -11.442 -14.119
274 HE22 GLN 36 2HE2 GLN 36 -10.740 -10.862 -14.130
275 H GLY 37 HN GLY 37 -5.696 -9.891 -11.928
276 HA2 GLY 37 1HA GLY 37 -3.647 -10.854 -13.275
277 HA3 GLY 37 2HA GLY 37 -4.941 -11.748 -14.059
278 H ASP 38 HN ASP 38 -5.074 -8.416 -12.903
279 HA ASP 38 HA ASP 38 -5.186 -7.502 -15.698
280 HB2 ASP 38 2HB ASP 38 -6.863 -5.955 -13.865
281 HB3 ASP 38 3HB ASP 38 -7.230 -6.583 -15.470
282 H SER 39 HN SER 39 -3.054 -6.758 -15.543
283 HA SER 39 HA SER 39 -2.804 -4.194 -14.181
284 HB2 SER 39 2HB SER 39 -0.953 -4.712 -12.886
285 HB3 SER 39 3HB SER 39 -1.870 -6.214 -12.772
286 HG SER 39 HG SER 39 0.585 -5.922 -13.632
287 H ALA 40 HN ALA 40 -2.011 -2.765 -15.563
288 HA ALA 40 HA ALA 40 -0.034 -3.633 -17.551
289 HB1 ALA 40 1HB ALA 40 -2.224 -1.757 -18.356
290 HB2 ALA 40 2HB ALA 40 -1.159 -2.730 -19.371
291 HB3 ALA 40 3HB ALA 40 -2.449 -3.504 -18.450
292 H ALA 41 HN ALA 41 -0.111 -1.049 -18.880
293 HA ALA 41 HA ALA 41 0.925 0.975 -18.783
294 HB1 ALA 41 1HB ALA 41 -0.513 0.819 -16.191
295 HB2 ALA 41 2HB ALA 41 0.679 2.103 -16.400
296 HB3 ALA 41 3HB ALA 41 -0.680 1.974 -17.515
297 H GLU 42 HN GLU 42 3.067 0.839 -18.989
298 HA GLU 42 HA GLU 42 4.645 0.121 -16.606
299 HB2 GLU 42 2HB GLU 42 5.859 -0.194 -19.295
300 HB3 GLU 42 3HB GLU 42 6.072 -1.163 -17.844
301 HG2 GLU 42 2HG GLU 42 3.527 -1.767 -18.395
302 HG3 GLU 42 3HG GLU 42 4.101 -1.415 -20.024
303 H VAL 43 HN VAL 43 3.708 2.762 -17.447
304 HA VAL 43 HA VAL 43 5.637 4.290 -18.740
305 HB VAL 43 HB VAL 43 3.644 4.996 -16.600
306 HG11 VAL 43 1HG1 VAL 43 5.597 6.828 -17.984
307 HG12 VAL 43 2HG1 VAL 43 4.167 7.382 -17.111
308 HG13 VAL 43 3HG1 VAL 43 5.451 6.530 -16.252
309 HG21 VAL 43 1HG2 VAL 43 2.258 5.502 -18.288
310 HG22 VAL 43 2HG2 VAL 43 3.532 6.274 -19.232
311 HG23 VAL 43 3HG2 VAL 43 3.345 4.520 -19.271
312 H THR 44 HN THR 44 5.171 4.115 -15.205
313 HA THR 44 HA THR 44 7.705 3.496 -14.404
314 HB THR 44 HB THR 44 7.532 6.310 -15.316
315 HG1 THR 44 1HG THR 44 9.416 4.228 -15.171
316 HG21 THR 44 1HG2 THR 44 9.373 6.864 -13.608
317 HG22 THR 44 2HG2 THR 44 8.738 5.502 -12.685
318 HG23 THR 44 3HG2 THR 44 7.701 6.881 -13.050
319 H GLU 45 HN GLU 45 5.278 6.027 -13.790
320 HA GLU 45 HA GLU 45 4.083 6.568 -11.932
321 HB2 GLU 45 2HB GLU 45 4.882 3.786 -11.059
322 HB3 GLU 45 3HB GLU 45 3.680 4.784 -10.254
323 HG2 GLU 45 2HG GLU 45 2.802 4.786 -12.845
324 HG3 GLU 45 3HG GLU 45 3.462 3.162 -12.663
325 H MET 46 HN MET 46 4.352 7.460 -9.865
326 HA MET 46 HA MET 46 6.909 7.098 -8.521
327 HB2 MET 46 2HB MET 46 5.991 9.691 -9.740
328 HB3 MET 46 3HB MET 46 7.103 9.661 -8.379
329 HG2 MET 46 2HG MET 46 8.133 7.854 -10.255
330 HG3 MET 46 3HG MET 46 7.626 9.274 -11.167
331 HE1 MET 46 1HE MET 46 11.571 8.829 -9.430
332 HE2 MET 46 2HE MET 46 10.303 7.623 -9.215
333 HE3 MET 46 3HE MET 46 10.723 8.183 -10.834
334 H ALA 47 HN ALA 47 4.356 6.299 -7.725
335 HA ALA 47 HA ALA 47 2.912 6.369 -5.966
336 HB1 ALA 47 1HB ALA 47 5.327 7.755 -4.867
337 HB2 ALA 47 2HB ALA 47 3.866 7.578 -3.893
338 HB3 ALA 47 3HB ALA 47 4.698 6.147 -4.502
339 H HIS 48 HN HIS 48 4.287 9.542 -5.269
340 HA HIS 48 HA HIS 48 1.883 10.850 -6.297
341 HB2 HIS 48 2HB HIS 48 1.970 10.229 -3.667
342 HB3 HIS 48 3HB HIS 48 2.771 11.797 -3.636
343 HD1 HIS 48 1HD HIS 48 -0.386 10.412 -5.270
344 HD2 HIS 48 2HD HIS 48 0.977 13.759 -3.221
345 HE1 HIS 48 1HE HIS 48 -2.375 11.939 -5.079
346 H THR 49 HN THR 49 4.011 11.127 -7.718
347 HA THR 49 HA THR 49 4.961 13.830 -7.120
348 HB THR 49 HB THR 49 6.693 11.420 -7.466
349 HG1 THR 49 1HG THR 49 7.439 13.725 -6.071
350 HG21 THR 49 1HG2 THR 49 7.443 12.658 -9.338
351 HG22 THR 49 2HG2 THR 49 8.576 13.028 -8.039
352 HG23 THR 49 3HG2 THR 49 7.320 14.188 -8.470
353 H GLU 50 HN GLU 50 4.812 11.173 -9.463
354 HA GLU 50 HA GLU 50 4.862 13.156 -11.635
355 HB2 GLU 50 2HB GLU 50 6.556 11.247 -11.585
356 HB3 GLU 50 3HB GLU 50 5.207 10.179 -11.944
357 HG2 GLU 50 2HG GLU 50 6.372 10.719 -13.971
358 HG3 GLU 50 3HG GLU 50 4.770 11.454 -13.999
359 H THR 51 HN THR 51 3.026 13.597 -12.647
360 HA THR 51 HA THR 51 0.555 12.520 -11.968
361 HB THR 51 HB THR 51 1.196 13.793 -14.632
362 HG1 THR 51 1HG THR 51 0.669 14.974 -12.093
363 HG21 THR 51 1HG2 THR 51 -0.993 13.233 -14.876
364 HG22 THR 51 2HG2 THR 51 -1.229 14.713 -13.947
365 HG23 THR 51 3HG2 THR 51 -1.276 13.148 -13.137
366 H GLY 52 HN GLY 52 -0.861 11.089 -13.011
367 HA2 GLY 52 1HA GLY 52 -1.490 9.410 -14.501
368 HA3 GLY 52 2HA GLY 52 0.072 9.561 -15.293
369 H TRP 53 HN TRP 53 -1.531 8.291 -12.405
370 HA TRP 53 HA TRP 53 0.535 6.192 -12.305
371 HB2 TRP 53 2HB TRP 53 -0.285 6.206 -9.752
372 HB3 TRP 53 3HB TRP 53 1.051 7.200 -10.327
373 HD1 TRP 53 1HD TRP 53 -2.810 7.678 -10.122
374 HE1 TRP 53 1HE TRP 53 -3.256 10.057 -9.246
375 HE3 TRP 53 3HE TRP 53 2.020 9.276 -9.616
376 HZ2 TRP 53 2HZ TRP 53 -1.759 12.311 -8.447
377 HZ3 TRP 53 3HZ TRP 53 2.426 11.558 -8.791
378 HH2 TRP 53 2HH TRP 53 0.575 13.043 -8.219
379 H SER 54 HN SER 54 -0.183 4.154 -12.365
380 HA SER 54 HA SER 54 -3.088 3.728 -12.194
381 HB2 SER 54 2HB SER 54 -1.991 3.173 -14.364
382 HB3 SER 54 3HB SER 54 -1.016 1.967 -13.523
383 HG SER 54 HG SER 54 -3.117 1.329 -14.599
384 H CYS 55 HN CYS 55 -3.906 1.910 -11.087
385 HA CYS 55 HA CYS 55 -2.129 0.263 -9.515
386 HB2 CYS 55 2HB CYS 55 -4.138 1.955 -8.031
387 HB3 CYS 55 3HB CYS 55 -2.873 0.933 -7.356
388 H HIS 56 HN HIS 56 -4.309 -0.287 -7.583
389 HA HIS 56 HA HIS 56 -5.710 -2.235 -9.192
390 HB2 HIS 56 2HB HIS 56 -4.764 -2.441 -6.734
391 HB3 HIS 56 3HB HIS 56 -6.341 -1.785 -6.304
392 HD1 HIS 56 1HD HIS 56 -7.802 -3.398 -8.695
393 HD2 HIS 56 2HD HIS 56 -5.383 -4.961 -5.701
394 HE1 HIS 56 1HE HIS 56 -8.464 -5.815 -8.490
395 H TYR 57 HN TYR 57 -6.260 0.942 -8.196
396 HA TYR 57 HA TYR 57 -8.916 0.921 -9.297
397 HB2 TYR 57 2HB TYR 57 -8.685 1.863 -6.446
398 HB3 TYR 57 3HB TYR 57 -10.145 1.574 -7.386
399 HD1 TYR 57 1HD TYR 57 -10.888 -0.744 -7.836
400 HD2 TYR 57 2HD TYR 57 -7.592 0.088 -5.277
401 HE1 TYR 57 1HE TYR 57 -11.037 -3.019 -6.912
402 HE2 TYR 57 2HE TYR 57 -7.732 -2.185 -4.347
403 HH TYR 57 HH TYR 57 -8.663 -4.217 -4.586
404 H CYS 58 HN CYS 58 -6.280 2.206 -9.681
405 HA CYS 58 HA CYS 58 -6.567 4.960 -8.933
406 HB2 CYS 58 2HB CYS 58 -4.503 3.312 -9.955
407 HB3 CYS 58 3HB CYS 58 -4.737 4.614 -11.115
408 H ASP 59 HN ASP 59 -8.014 3.071 -11.266
409 HA ASP 59 HA ASP 59 -9.324 3.517 -13.072
410 HB2 ASP 59 2HB ASP 59 -9.326 6.047 -11.539
411 HB3 ASP 59 3HB ASP 59 -9.827 6.174 -13.223
412 H ASN 60 HN ASN 60 -7.961 6.724 -13.291
413 HA ASN 60 HA ASN 60 -7.001 7.721 -15.138
414 HB2 ASN 60 2HB ASN 60 -5.182 5.987 -13.728
415 HB3 ASN 60 3HB ASN 60 -4.726 6.080 -15.426
416 HD21 ASN 60 1HD2 ASN 60 -5.554 8.674 -15.984
417 HD22 ASN 60 2HD2 ASN 60 -4.547 9.775 -15.113
Start of MODEL 4
1 H1 GLU 1 HN GLU 1 0.407 4.742 4.423
2 HA GLU 1 HA GLU 1 0.434 3.134 2.803
3 HB2 GLU 1 2HB GLU 1 2.688 4.972 2.106
4 HB3 GLU 1 3HB GLU 1 2.443 3.518 1.148
5 HG2 GLU 1 2HG GLU 1 1.363 5.519 0.195
6 HG3 GLU 1 3HG GLU 1 0.233 4.212 0.545
7 H MET 2 HN MET 2 0.781 1.327 4.126
8 HA MET 2 HA MET 2 3.501 0.217 3.942
9 HB2 MET 2 2HB MET 2 1.823 -0.619 6.237
10 HB3 MET 2 3HB MET 2 3.563 -0.385 6.140
11 HG2 MET 2 2HG MET 2 2.991 2.123 5.998
12 HG3 MET 2 3HG MET 2 1.416 1.636 6.617
13 HE1 MET 2 1HE MET 2 5.208 2.479 7.943
14 HE2 MET 2 2HE MET 2 5.420 0.885 8.667
15 HE3 MET 2 3HE MET 2 5.087 1.032 6.941
16 H CYS 3 HN CYS 3 3.430 -1.449 2.591
17 HA CYS 3 HA CYS 3 1.402 -2.746 1.449
18 HB2 CYS 3 2HB CYS 3 3.765 -3.256 0.990
19 HB3 CYS 3 3HB CYS 3 3.872 -4.131 2.515
20 H ASP 4 HN ASP 4 -0.397 -3.643 2.178
21 HA ASP 4 HA ASP 4 -0.863 -4.346 4.853
22 HB2 ASP 4 2HB ASP 4 -2.623 -3.763 3.174
23 HB3 ASP 4 3HB ASP 4 -2.378 -5.344 2.435
24 H VAL 5 HN VAL 5 0.922 -5.952 2.527
25 HA VAL 5 HA VAL 5 0.445 -8.593 3.722
26 HB VAL 5 HB VAL 5 1.954 -7.865 1.206
27 HG11 VAL 5 1HG1 VAL 5 1.529 -10.477 0.947
28 HG12 VAL 5 2HG1 VAL 5 2.968 -9.832 1.738
29 HG13 VAL 5 3HG1 VAL 5 1.607 -10.399 2.706
30 HG21 VAL 5 1HG2 VAL 5 -0.611 -7.633 1.296
31 HG22 VAL 5 2HG2 VAL 5 0.103 -8.552 -0.030
32 HG23 VAL 5 3HG2 VAL 5 -0.619 -9.397 1.339
33 H CYS 6 HN CYS 6 2.609 -5.987 3.773
34 HA CYS 6 HA CYS 6 4.595 -7.641 5.175
35 HB2 CYS 6 2HB CYS 6 5.242 -5.366 3.290
36 HB3 CYS 6 3HB CYS 6 6.406 -6.328 4.195
37 H GLU 7 HN GLU 7 3.728 -4.244 4.506
38 HA GLU 7 HA GLU 7 3.221 -2.555 5.987
39 HB2 GLU 7 2HB GLU 7 4.127 -4.218 8.312
40 HB3 GLU 7 3HB GLU 7 2.920 -2.942 8.269
41 HG2 GLU 7 2HG GLU 7 1.929 -4.880 6.555
42 HG3 GLU 7 3HG GLU 7 2.614 -5.788 7.901
43 H VAL 8 HN VAL 8 5.493 -2.451 4.634
44 HA VAL 8 HA VAL 8 7.277 -1.086 6.463
45 HB VAL 8 HB VAL 8 9.140 -2.476 4.987
46 HG11 VAL 8 1HG1 VAL 8 9.931 -3.174 7.028
47 HG12 VAL 8 2HG1 VAL 8 8.874 -1.848 7.519
48 HG13 VAL 8 3HG1 VAL 8 8.319 -3.517 7.658
49 HG21 VAL 8 1HG2 VAL 8 7.372 -4.622 6.067
50 HG22 VAL 8 2HG2 VAL 8 7.062 -3.981 4.453
51 HG23 VAL 8 3HG2 VAL 8 8.622 -4.712 4.827
52 H TRP 9 HN TRP 9 6.863 0.801 5.362
53 HA TRP 9 HA TRP 9 6.806 1.113 2.580
54 HB2 TRP 9 2HB TRP 9 6.016 3.059 3.374
55 HB3 TRP 9 3HB TRP 9 6.833 2.845 4.920
56 HD1 TRP 9 1HD TRP 9 9.469 3.691 4.993
57 HE1 TRP 9 1HE TRP 9 10.578 5.662 3.764
58 HE3 TRP 9 3HE TRP 9 5.992 4.414 1.316
59 HZ2 TRP 9 2HZ TRP 9 10.050 7.305 1.531
60 HZ3 TRP 9 3HZ TRP 9 6.368 6.207 -0.328
61 HH2 TRP 9 2HH TRP 9 8.356 7.622 -0.220
62 H THR 10 HN THR 10 8.333 1.740 1.078
63 HA THR 10 HA THR 10 11.114 1.244 1.865
64 HB THR 10 HB THR 10 11.355 1.325 -0.766
65 HG1 THR 10 1HG THR 10 8.902 0.140 -0.931
66 HG21 THR 10 1HG2 THR 10 10.063 -1.008 0.655
67 HG22 THR 10 2HG2 THR 10 11.785 -0.630 0.674
68 HG23 THR 10 3HG2 THR 10 10.997 -1.082 -0.838
69 H ALA 11 HN ALA 11 10.266 3.028 -1.002
70 HA ALA 11 HA ALA 11 10.298 5.636 -0.307
71 HB1 ALA 11 1HB ALA 11 12.204 5.929 0.832
72 HB2 ALA 11 2HB ALA 11 12.919 4.440 0.211
73 HB3 ALA 11 3HB ALA 11 12.972 5.914 -0.757
74 H GLU 12 HN GLU 12 12.171 3.431 -2.370
75 HA GLU 12 HA GLU 12 12.567 5.045 -4.568
76 HB2 GLU 12 2HB GLU 12 13.038 3.116 -5.775
77 HB3 GLU 12 3HB GLU 12 13.304 2.598 -4.116
78 HG2 GLU 12 2HG GLU 12 11.045 1.619 -4.089
79 HG3 GLU 12 3HG GLU 12 10.850 2.078 -5.780
80 H SER 13 HN SER 13 9.725 3.070 -3.794
81 HA SER 13 HA SER 13 7.751 4.681 -4.670
82 HB2 SER 13 2HB SER 13 8.188 4.994 -6.871
83 HB3 SER 13 3HB SER 13 9.239 3.582 -6.962
84 HG SER 13 HG SER 13 6.923 3.717 -7.996
85 H LEU 14 HN LEU 14 6.683 3.506 -3.097
86 HA LEU 14 HA LEU 14 6.448 0.736 -2.948
87 HB2 LEU 14 2HB LEU 14 5.304 3.012 -1.672
88 HB3 LEU 14 3HB LEU 14 4.012 1.879 -2.063
89 HG LEU 14 HG LEU 14 6.478 1.005 -0.590
90 HD11 LEU 14 1HD1 LEU 14 4.313 2.710 0.365
91 HD12 LEU 14 2HD1 LEU 14 5.881 2.352 1.088
92 HD13 LEU 14 3HD1 LEU 14 4.530 1.243 1.319
93 HD21 LEU 14 1HD2 LEU 14 3.737 -0.085 -1.090
94 HD22 LEU 14 2HD2 LEU 14 4.660 -0.599 0.322
95 HD23 LEU 14 3HD2 LEU 14 5.306 -0.863 -1.297
96 H PHE 15 HN PHE 15 4.131 -0.316 -3.089
97 HA PHE 15 HA PHE 15 2.816 0.451 -5.592
98 HB2 PHE 15 2HB PHE 15 4.131 -2.174 -4.989
99 HB3 PHE 15 3HB PHE 15 2.722 -2.126 -6.043
100 HD1 PHE 15 1HD PHE 15 6.080 -0.591 -5.595
101 HD2 PHE 15 2HD PHE 15 2.991 -1.708 -8.301
102 HE1 PHE 15 1HE PHE 15 7.528 0.011 -7.493
103 HE2 PHE 15 2HE PHE 15 4.434 -1.111 -10.202
104 HZ PHE 15 HZ PHE 15 6.706 -0.250 -9.799
105 HA PRO 16 HA PRO 16 1.283 -0.823 -6.893
106 HB2 PRO 16 2HB PRO 16 -1.155 0.228 -7.462
107 HB3 PRO 16 3HB PRO 16 -0.892 -1.500 -7.198
108 HG2 PRO 16 2HG PRO 16 -1.939 0.568 -5.303
109 HG3 PRO 16 3HG PRO 16 -2.514 -1.085 -5.585
110 HD2 PRO 16 2HD PRO 16 -0.947 -0.426 -3.477
111 HD3 PRO 16 3HD PRO 16 -0.870 -2.016 -4.264
112 H CYS 17 HN CYS 17 -0.413 1.740 -5.076
113 HA CYS 17 HA CYS 17 1.175 3.723 -6.569
114 HB2 CYS 17 2HB CYS 17 -0.942 5.115 -5.460
115 HB3 CYS 17 3HB CYS 17 -0.823 4.578 -7.132
116 H ARG 18 HN ARG 18 0.766 5.947 -5.073
117 HA ARG 18 HA ARG 18 1.970 5.235 -2.479
118 HB2 ARG 18 2HB ARG 18 3.374 7.106 -2.600
119 HB3 ARG 18 3HB ARG 18 3.391 6.462 -4.236
120 HG2 ARG 18 2HG ARG 18 3.166 8.744 -4.556
121 HG3 ARG 18 3HG ARG 18 1.509 8.151 -4.696
122 HD2 ARG 18 2HD ARG 18 0.840 9.198 -2.813
123 HD3 ARG 18 3HD ARG 18 2.361 8.886 -1.978
124 HE ARG 18 HE ARG 18 2.606 10.841 -4.057
125 HH11 ARG 18 1HH1 ARG 18 1.701 10.328 -0.734
126 HH12 ARG 18 2HH1 ARG 18 2.017 11.963 -0.260
127 HH21 ARG 18 1HH2 ARG 18 3.026 12.997 -3.444
128 HH22 ARG 18 2HH2 ARG 18 2.770 13.481 -1.801
129 H VAL 19 HN VAL 19 -0.734 6.518 -3.942
130 HA VAL 19 HA VAL 19 -1.369 8.311 -1.712
131 HB VAL 19 HB VAL 19 -2.817 7.866 -4.327
132 HG11 VAL 19 1HG1 VAL 19 -4.427 8.474 -2.671
133 HG12 VAL 19 2HG1 VAL 19 -3.380 9.748 -2.042
134 HG13 VAL 19 3HG1 VAL 19 -4.095 9.905 -3.646
135 HG21 VAL 19 1HG2 VAL 19 -0.711 9.009 -4.645
136 HG22 VAL 19 2HG2 VAL 19 -2.038 10.154 -4.842
137 HG23 VAL 19 3HG2 VAL 19 -1.097 10.144 -3.352
138 H CYS 20 HN CYS 20 -3.071 5.813 -3.616
139 HA CYS 20 HA CYS 20 -5.227 5.371 -2.006
140 HB2 CYS 20 2HB CYS 20 -3.595 3.403 -3.609
141 HB3 CYS 20 3HB CYS 20 -5.103 2.959 -2.816
142 H THR 21 HN THR 21 -5.288 5.118 0.123
143 HA THR 21 HA THR 21 -3.418 4.567 1.936
144 HB THR 21 HB THR 21 -5.232 3.221 3.229
145 HG1 THR 21 1HG THR 21 -6.895 4.347 1.221
146 HG21 THR 21 1HG2 THR 21 -6.594 5.401 3.472
147 HG22 THR 21 2HG2 THR 21 -5.416 6.086 2.352
148 HG23 THR 21 3HG2 THR 21 -4.884 5.430 3.900
149 H ARG 22 HN ARG 22 -5.507 1.787 1.589
150 HA ARG 22 HA ARG 22 -3.737 -0.148 2.279
151 HB2 ARG 22 2HB ARG 22 -5.948 -0.340 0.228
152 HB3 ARG 22 3HB ARG 22 -5.113 -1.731 0.907
153 HG2 ARG 22 2HG ARG 22 -6.339 0.212 2.788
154 HG3 ARG 22 3HG ARG 22 -7.404 -0.864 1.882
155 HD2 ARG 22 2HD ARG 22 -6.023 -2.782 2.687
156 HD3 ARG 22 3HD ARG 22 -5.141 -1.650 3.711
157 HE ARG 22 HE ARG 22 -6.869 -1.755 5.187
158 HH11 ARG 22 1HH1 ARG 22 -8.055 -2.662 2.042
159 HH12 ARG 22 2HH1 ARG 22 -9.646 -3.047 2.610
160 HH21 ARG 22 1HH2 ARG 22 -8.960 -2.260 5.947
161 HH22 ARG 22 2HH2 ARG 22 -10.160 -2.818 4.830
162 H VAL 23 HN VAL 23 -1.736 -0.447 1.549
163 HA VAL 23 HA VAL 23 -1.241 -0.264 -1.347
164 HB VAL 23 HB VAL 23 1.167 -0.069 -0.721
165 HG11 VAL 23 1HG1 VAL 23 -0.707 1.854 -0.873
166 HG12 VAL 23 2HG1 VAL 23 -0.106 2.140 0.762
167 HG13 VAL 23 3HG1 VAL 23 1.005 2.180 -0.608
168 HG21 VAL 23 1HG2 VAL 23 0.400 -1.030 1.703
169 HG22 VAL 23 2HG2 VAL 23 1.922 -0.192 1.394
170 HG23 VAL 23 3HG2 VAL 23 0.542 0.695 2.043
171 H PHE 24 HN PHE 24 -0.013 -1.865 -2.392
172 HA PHE 24 HA PHE 24 0.675 -4.279 -0.928
173 HB2 PHE 24 2HB PHE 24 -0.674 -5.265 -3.186
174 HB3 PHE 24 3HB PHE 24 -1.168 -5.409 -1.503
175 HD1 PHE 24 1HD PHE 24 -2.582 -3.529 -0.521
176 HD2 PHE 24 2HD PHE 24 -1.954 -4.051 -4.698
177 HE1 PHE 24 1HE PHE 24 -4.576 -2.164 -0.988
178 HE2 PHE 24 2HE PHE 24 -3.946 -2.685 -5.172
179 HZ PHE 24 HZ PHE 24 -5.259 -1.740 -3.316
180 H HIS 25 HN HIS 25 2.597 -4.926 -1.615
181 HA HIS 25 HA HIS 25 3.930 -3.781 -3.807
182 HB2 HIS 25 2HB HIS 25 4.541 -6.333 -2.303
183 HB3 HIS 25 3HB HIS 25 5.646 -5.530 -3.414
184 HD2 HIS 25 2HD HIS 25 4.392 -2.590 -1.742
185 HE1 HIS 25 1HE HIS 25 7.222 -4.103 1.033
186 HE2 HIS 25 2HE HIS 25 5.766 -2.146 0.404
187 H ASP 26 HN ASP 26 3.661 -4.132 -5.899
188 HA ASP 26 HA ASP 26 1.940 -5.919 -7.068
189 HB2 ASP 26 2HB ASP 26 2.850 -4.065 -8.321
190 HB3 ASP 26 3HB ASP 26 4.476 -4.732 -8.208
191 H GLY 27 HN GLY 27 5.021 -6.560 -5.716
192 HA2 GLY 27 1HA GLY 27 5.350 -9.067 -7.178
193 HA3 GLY 27 2HA GLY 27 6.484 -8.378 -6.026
194 H CYS 28 HN CYS 28 4.233 -7.931 -4.091
195 HA CYS 28 HA CYS 28 4.515 -10.362 -2.661
196 HB2 CYS 28 2HB CYS 28 3.150 -7.771 -2.252
197 HB3 CYS 28 3HB CYS 28 2.455 -9.140 -1.391
198 H LEU 29 HN LEU 29 1.528 -8.819 -3.858
199 HA LEU 29 HA LEU 29 -0.278 -10.787 -3.464
200 HB2 LEU 29 2HB LEU 29 -0.269 -9.487 -6.147
201 HB3 LEU 29 3HB LEU 29 -1.620 -9.810 -5.063
202 HG LEU 29 HG LEU 29 -0.211 -7.986 -3.621
203 HD11 LEU 29 1HD1 LEU 29 1.268 -7.801 -5.733
204 HD12 LEU 29 2HD1 LEU 29 0.718 -6.325 -4.940
205 HD13 LEU 29 3HD1 LEU 29 -0.087 -6.893 -6.402
206 HD21 LEU 29 1HD2 LEU 29 -2.092 -6.887 -5.621
207 HD22 LEU 29 2HD2 LEU 29 -2.065 -6.707 -3.867
208 HD23 LEU 29 3HD2 LEU 29 -2.692 -8.188 -4.593
209 H ARG 30 HN ARG 30 2.018 -10.629 -6.157
210 HA ARG 30 HA ARG 30 1.129 -12.847 -7.593
211 HB2 ARG 30 2HB ARG 30 3.715 -11.387 -7.364
212 HB3 ARG 30 3HB ARG 30 3.730 -12.960 -8.149
213 HG2 ARG 30 2HG ARG 30 1.680 -11.897 -9.458
214 HG3 ARG 30 3HG ARG 30 2.525 -10.406 -9.033
215 HD2 ARG 30 2HD ARG 30 3.978 -10.748 -10.675
216 HD3 ARG 30 3HD ARG 30 4.446 -12.287 -9.953
217 HE ARG 30 HE ARG 30 2.061 -12.674 -11.353
218 HH11 ARG 30 1HH1 ARG 30 5.396 -11.897 -11.981
219 HH12 ARG 30 2HH1 ARG 30 5.403 -12.619 -13.556
220 HH21 ARG 30 1HH2 ARG 30 2.057 -13.628 -13.425
221 HH22 ARG 30 2HH2 ARG 30 3.503 -13.603 -14.378
222 H ARG 31 HN ARG 31 3.484 -12.645 -4.948
223 HA ARG 31 HA ARG 31 3.723 -15.553 -4.901
224 HB2 ARG 31 2HB ARG 31 5.484 -13.445 -4.324
225 HB3 ARG 31 3HB ARG 31 5.136 -14.200 -2.775
226 HG2 ARG 31 2HG ARG 31 5.669 -16.412 -3.960
227 HG3 ARG 31 3HG ARG 31 6.400 -15.401 -5.208
228 HD2 ARG 31 2HD ARG 31 7.785 -14.336 -3.426
229 HD3 ARG 31 3HD ARG 31 7.143 -15.520 -2.290
230 HE ARG 31 HE ARG 31 8.377 -16.637 -4.651
231 HH11 ARG 31 1HH1 ARG 31 8.815 -15.596 -1.358
232 HH12 ARG 31 2HH1 ARG 31 10.230 -16.564 -1.103
233 HH21 ARG 31 1HH2 ARG 31 10.237 -17.916 -4.328
234 HH22 ARG 31 2HH2 ARG 31 11.038 -17.883 -2.794
235 H MET 32 HN MET 32 1.498 -13.529 -3.817
236 HA MET 32 HA MET 32 1.215 -14.792 -1.178
237 HB2 MET 32 2HB MET 32 0.942 -12.625 -0.604
238 HB3 MET 32 3HB MET 32 0.560 -12.136 -2.250
239 HG2 MET 32 2HG MET 32 -1.337 -11.701 -0.880
240 HG3 MET 32 3HG MET 32 -1.720 -13.059 -1.937
241 HE1 MET 32 1HE MET 32 -0.388 -12.629 2.099
242 HE2 MET 32 2HE MET 32 -1.478 -11.534 1.248
243 HE3 MET 32 3HE MET 32 -2.124 -12.697 2.406
244 H GLY 33 HN GLY 33 -0.319 -14.329 -4.285
245 HA2 GLY 33 1HA GLY 33 -1.890 -15.755 -5.263
246 HA3 GLY 33 2HA GLY 33 -2.135 -16.520 -3.699
247 H TYR 34 HN TYR 34 -2.328 -13.066 -4.383
248 HA TYR 34 HA TYR 34 -5.241 -13.150 -4.204
249 HB2 TYR 34 2HB TYR 34 -5.398 -12.266 -2.154
250 HB3 TYR 34 3HB TYR 34 -3.674 -12.561 -1.964
251 HD1 TYR 34 1HD TYR 34 -6.251 -10.060 -2.386
252 HD2 TYR 34 2HD TYR 34 -2.051 -10.734 -2.468
253 HE1 TYR 34 1HE TYR 34 -5.866 -7.638 -2.194
254 HE2 TYR 34 2HE TYR 34 -1.654 -8.314 -2.275
255 HH TYR 34 HH TYR 34 -3.292 -6.259 -1.207
256 H ILE 35 HN ILE 35 -2.746 -12.250 -5.927
257 HA ILE 35 HA ILE 35 -3.094 -9.475 -6.372
258 HB ILE 35 HB ILE 35 -1.130 -11.039 -7.069
259 HG12 ILE 35 2HG1 ILE 35 -1.969 -9.010 -9.129
260 HG13 ILE 35 3HG1 ILE 35 -1.505 -8.522 -7.502
261 HG21 ILE 35 1HG2 ILE 35 -1.187 -11.873 -9.304
262 HG22 ILE 35 2HG2 ILE 35 -2.611 -12.486 -8.467
263 HG23 ILE 35 3HG2 ILE 35 -2.764 -11.141 -9.597
264 HD11 ILE 35 1HD1 ILE 35 0.163 -9.747 -9.653
265 HD12 ILE 35 2HD1 ILE 35 0.452 -8.289 -8.701
266 HD13 ILE 35 3HD1 ILE 35 0.639 -9.878 -7.960
267 H GLN 36 HN GLN 36 -3.984 -8.437 -8.250
268 HA GLN 36 HA GLN 36 -6.194 -9.951 -9.479
269 HB2 GLN 36 2HB GLN 36 -6.142 -7.053 -8.624
270 HB3 GLN 36 3HB GLN 36 -7.432 -7.783 -9.570
271 HG2 GLN 36 2HG GLN 36 -8.407 -8.594 -7.757
272 HG3 GLN 36 3HG GLN 36 -6.903 -9.323 -7.196
273 HE21 GLN 36 1HE2 GLN 36 -5.378 -7.865 -6.102
274 HE22 GLN 36 2HE2 GLN 36 -6.017 -6.606 -5.106
275 H GLY 37 HN GLY 37 -4.571 -6.808 -9.985
276 HA2 GLY 37 1HA GLY 37 -4.117 -7.624 -12.787
277 HA3 GLY 37 2HA GLY 37 -4.757 -6.035 -12.391
278 H ASP 38 HN ASP 38 -2.454 -6.353 -13.902
279 HA ASP 38 HA ASP 38 -0.298 -5.622 -12.039
280 HB2 ASP 38 2HB ASP 38 0.542 -7.377 -13.311
281 HB3 ASP 38 3HB ASP 38 -0.310 -6.864 -14.765
282 H SER 39 HN SER 39 0.845 -3.725 -12.304
283 HA SER 39 HA SER 39 -0.566 -1.537 -13.416
284 HB2 SER 39 2HB SER 39 0.791 -1.014 -11.565
285 HB3 SER 39 3HB SER 39 2.188 -1.854 -12.238
286 HG SER 39 HG SER 39 1.068 0.393 -13.527
287 H ALA 40 HN ALA 40 -0.026 -0.193 -15.165
288 HA ALA 40 HA ALA 40 1.924 -1.242 -17.087
289 HB1 ALA 40 1HB ALA 40 -0.424 -2.059 -17.596
290 HB2 ALA 40 2HB ALA 40 -0.815 -0.381 -17.974
291 HB3 ALA 40 3HB ALA 40 0.424 -1.227 -18.901
292 H ALA 41 HN ALA 41 1.307 0.536 -19.165
293 HA ALA 41 HA ALA 41 1.422 2.738 -19.834
294 HB1 ALA 41 1HB ALA 41 1.792 3.897 -17.156
295 HB2 ALA 41 2HB ALA 41 0.722 4.385 -18.470
296 HB3 ALA 41 3HB ALA 41 0.266 3.051 -17.411
297 H GLU 42 HN GLU 42 3.583 1.088 -17.823
298 HA GLU 42 HA GLU 42 5.805 1.416 -17.265
299 HB2 GLU 42 2HB GLU 42 6.249 2.153 -20.119
300 HB3 GLU 42 3HB GLU 42 7.109 0.996 -19.114
301 HG2 GLU 42 2HG GLU 42 4.647 -0.144 -19.260
302 HG3 GLU 42 3HG GLU 42 4.778 0.627 -20.839
303 H VAL 43 HN VAL 43 4.308 3.805 -16.834
304 HA VAL 43 HA VAL 43 5.373 6.116 -17.945
305 HB VAL 43 HB VAL 43 4.177 5.560 -15.247
306 HG11 VAL 43 1HG1 VAL 43 5.651 7.961 -16.134
307 HG12 VAL 43 2HG1 VAL 43 4.110 8.238 -15.319
308 HG13 VAL 43 3HG1 VAL 43 5.387 7.326 -14.511
309 HG21 VAL 43 1HG2 VAL 43 2.932 7.565 -16.926
310 HG22 VAL 43 2HG2 VAL 43 3.108 6.024 -17.766
311 HG23 VAL 43 3HG2 VAL 43 2.247 6.096 -16.229
312 H THR 44 HN THR 44 6.118 5.269 -14.588
313 HA THR 44 HA THR 44 8.881 4.971 -14.836
314 HB THR 44 HB THR 44 7.979 7.751 -14.883
315 HG1 THR 44 1HG THR 44 10.666 7.058 -15.085
316 HG21 THR 44 1HG2 THR 44 9.924 6.841 -12.770
317 HG22 THR 44 2HG2 THR 44 8.483 7.839 -12.569
318 HG23 THR 44 3HG2 THR 44 9.898 8.490 -13.395
319 H GLU 45 HN GLU 45 6.314 6.365 -12.838
320 HA GLU 45 HA GLU 45 5.814 6.167 -10.627
321 HB2 GLU 45 2HB GLU 45 7.272 3.718 -10.080
322 HB3 GLU 45 3HB GLU 45 5.540 4.020 -10.054
323 HG2 GLU 45 2HG GLU 45 5.793 3.914 -12.658
324 HG3 GLU 45 3HG GLU 45 7.255 3.011 -12.264
325 H MET 46 HN MET 46 6.761 7.595 -9.328
326 HA MET 46 HA MET 46 9.408 6.955 -8.252
327 HB2 MET 46 2HB MET 46 8.624 9.647 -9.382
328 HB3 MET 46 3HB MET 46 10.087 9.337 -8.458
329 HG2 MET 46 2HG MET 46 9.910 7.467 -10.611
330 HG3 MET 46 3HG MET 46 9.700 9.105 -11.228
331 HE1 MET 46 1HE MET 46 11.935 6.827 -11.672
332 HE2 MET 46 2HE MET 46 12.230 8.289 -12.612
333 HE3 MET 46 3HE MET 46 13.508 7.622 -11.595
334 H ALA 47 HN ALA 47 6.457 7.073 -7.414
335 HA ALA 47 HA ALA 47 5.279 7.531 -5.520
336 HB1 ALA 47 1HB ALA 47 6.415 7.068 -3.657
337 HB2 ALA 47 2HB ALA 47 7.835 6.924 -4.694
338 HB3 ALA 47 3HB ALA 47 7.494 8.447 -3.872
339 H HIS 48 HN HIS 48 6.519 9.771 -7.384
340 HA HIS 48 HA HIS 48 5.229 11.939 -5.930
341 HB2 HIS 48 2HB HIS 48 7.925 11.749 -5.706
342 HB3 HIS 48 3HB HIS 48 7.795 12.727 -7.166
343 HD1 HIS 48 1HD HIS 48 7.329 12.847 -3.490
344 HD2 HIS 48 2HD HIS 48 6.623 15.285 -6.780
345 HE1 HIS 48 1HE HIS 48 6.867 15.133 -2.548
346 H THR 49 HN THR 49 6.923 10.937 -8.878
347 HA THR 49 HA THR 49 6.213 12.901 -10.636
348 HB THR 49 HB THR 49 5.945 10.872 -12.318
349 HG1 THR 49 1HG THR 49 6.865 8.995 -11.529
350 HG21 THR 49 1HG2 THR 49 8.312 10.876 -12.636
351 HG22 THR 49 2HG2 THR 49 8.596 11.364 -10.965
352 HG23 THR 49 3HG2 THR 49 7.856 12.492 -12.101
353 H GLU 50 HN GLU 50 4.545 12.883 -12.364
354 HA GLU 50 HA GLU 50 1.930 12.405 -11.170
355 HB2 GLU 50 2HB GLU 50 2.517 14.604 -12.224
356 HB3 GLU 50 3HB GLU 50 2.585 13.784 -13.776
357 HG2 GLU 50 2HG GLU 50 0.469 14.858 -13.587
358 HG3 GLU 50 3HG GLU 50 0.216 13.117 -13.469
359 H THR 51 HN THR 51 0.192 11.466 -12.462
360 HA THR 51 HA THR 51 -0.586 9.489 -13.364
361 HB THR 51 HB THR 51 0.895 9.961 -15.869
362 HG1 THR 51 1HG THR 51 -0.815 11.967 -14.775
363 HG21 THR 51 1HG2 THR 51 -2.064 10.026 -15.288
364 HG22 THR 51 2HG2 THR 51 -1.160 8.541 -15.585
365 HG23 THR 51 3HG2 THR 51 -1.277 9.769 -16.845
366 H GLY 52 HN GLY 52 1.937 9.146 -11.952
367 HA2 GLY 52 1HA GLY 52 3.238 7.073 -13.593
368 HA3 GLY 52 2HA GLY 52 3.970 7.877 -12.212
369 H TRP 53 HN TRP 53 1.371 7.574 -10.717
370 HA TRP 53 HA TRP 53 1.802 4.776 -9.923
371 HB2 TRP 53 2HB TRP 53 0.263 6.069 -7.956
372 HB3 TRP 53 3HB TRP 53 1.961 5.613 -7.856
373 HD1 TRP 53 1HD TRP 53 3.780 7.549 -8.392
374 HE1 TRP 53 1HE TRP 53 3.611 10.112 -8.222
375 HE3 TRP 53 3HE TRP 53 -1.308 8.016 -8.229
376 HZ2 TRP 53 2HZ TRP 53 1.588 12.071 -8.042
377 HZ3 TRP 53 3HZ TRP 53 -2.280 10.270 -8.057
378 HH2 TRP 53 2HH TRP 53 -0.861 12.254 -7.965
379 H SER 54 HN SER 54 0.333 3.426 -10.713
380 HA SER 54 HA SER 54 -2.487 4.268 -10.701
381 HB2 SER 54 2HB SER 54 -2.390 2.460 -12.761
382 HB3 SER 54 3HB SER 54 -2.372 4.211 -12.958
383 HG SER 54 HG SER 54 -0.611 3.534 -14.043
384 H CYS 55 HN CYS 55 -4.020 2.623 -10.333
385 HA CYS 55 HA CYS 55 -3.068 -0.045 -9.679
386 HB2 CYS 55 2HB CYS 55 -3.899 -0.052 -7.429
387 HB3 CYS 55 3HB CYS 55 -2.823 1.331 -7.594
388 H HIS 56 HN HIS 56 -5.267 -1.072 -8.456
389 HA HIS 56 HA HIS 56 -7.098 -1.301 -10.631
390 HB2 HIS 56 2HB HIS 56 -6.399 -2.960 -8.619
391 HB3 HIS 56 3HB HIS 56 -7.906 -2.320 -7.968
392 HD1 HIS 56 1HD HIS 56 -10.088 -2.828 -9.340
393 HD2 HIS 56 2HD HIS 56 -6.672 -4.767 -10.693
394 HE1 HIS 56 1HE HIS 56 -10.908 -4.636 -10.883
395 H TYR 57 HN TYR 57 -7.566 -0.222 -7.261
396 HA TYR 57 HA TYR 57 -10.080 1.030 -7.974
397 HB2 TYR 57 2HB TYR 57 -8.772 1.327 -5.293
398 HB3 TYR 57 3HB TYR 57 -10.484 1.243 -5.690
399 HD1 TYR 57 1HD TYR 57 -11.150 -1.094 -6.869
400 HD2 TYR 57 2HD TYR 57 -7.872 -0.499 -4.223
401 HE1 TYR 57 1HE TYR 57 -11.160 -3.493 -6.327
402 HE2 TYR 57 2HE TYR 57 -7.873 -2.896 -3.673
403 HH TYR 57 HH TYR 57 -10.420 -4.968 -4.490
404 H CYS 58 HN CYS 58 -7.534 2.040 -9.086
405 HA CYS 58 HA CYS 58 -6.925 4.518 -7.809
406 HB2 CYS 58 2HB CYS 58 -5.846 2.967 -9.913
407 HB3 CYS 58 3HB CYS 58 -6.236 4.540 -10.599
408 H ASP 59 HN ASP 59 -8.237 4.013 -11.083
409 HA ASP 59 HA ASP 59 -10.463 5.750 -10.648
410 HB2 ASP 59 2HB ASP 59 -8.350 7.256 -10.932
411 HB3 ASP 59 3HB ASP 59 -8.494 6.833 -12.636
412 H ASN 60 HN ASN 60 -8.272 4.608 -13.218
413 HA ASN 60 HA ASN 60 -10.162 2.882 -14.379
414 HB2 ASN 60 2HB ASN 60 -10.802 4.072 -16.373
415 HB3 ASN 60 3HB ASN 60 -11.230 5.065 -14.982
416 HD21 ASN 60 1HD2 ASN 60 -10.973 7.106 -15.516
417 HD22 ASN 60 2HD2 ASN 60 -9.611 7.778 -16.340
Start of MODEL 5
1 H1 GLU 1 HN GLU 1 1.283 4.775 5.785
2 HA GLU 1 HA GLU 1 0.604 2.899 4.690
3 HB2 GLU 1 2HB GLU 1 2.079 4.342 2.508
4 HB3 GLU 1 3HB GLU 1 1.401 2.744 2.227
5 HG2 GLU 1 2HG GLU 1 -0.288 4.106 1.488
6 HG3 GLU 1 3HG GLU 1 -0.785 3.795 3.150
7 H MET 2 HN MET 2 1.240 0.811 4.688
8 HA MET 2 HA MET 2 4.021 0.125 4.189
9 HB2 MET 2 2HB MET 2 2.848 -0.941 6.719
10 HB3 MET 2 3HB MET 2 4.536 -0.717 6.277
11 HG2 MET 2 2HG MET 2 4.031 1.790 6.392
12 HG3 MET 2 3HG MET 2 2.565 1.315 7.246
13 HE1 MET 2 1HE MET 2 6.851 1.357 8.435
14 HE2 MET 2 2HE MET 2 6.492 -0.329 8.065
15 HE3 MET 2 3HE MET 2 6.193 0.921 6.857
16 H CYS 3 HN CYS 3 3.923 -1.509 2.806
17 HA CYS 3 HA CYS 3 1.871 -2.948 1.904
18 HB2 CYS 3 2HB CYS 3 4.150 -3.226 1.056
19 HB3 CYS 3 3HB CYS 3 4.601 -4.099 2.517
20 H ASP 4 HN ASP 4 0.264 -3.951 2.905
21 HA ASP 4 HA ASP 4 0.304 -4.845 5.555
22 HB2 ASP 4 2HB ASP 4 -1.657 -4.422 3.760
23 HB3 ASP 4 3HB ASP 4 -1.573 -6.180 3.687
24 H VAL 5 HN VAL 5 1.744 -6.200 2.848
25 HA VAL 5 HA VAL 5 1.662 -8.922 3.946
26 HB VAL 5 HB VAL 5 2.649 -7.963 1.256
27 HG11 VAL 5 1HG1 VAL 5 2.445 -10.716 2.459
28 HG12 VAL 5 2HG1 VAL 5 2.622 -10.423 0.728
29 HG13 VAL 5 3HG1 VAL 5 3.885 -9.905 1.844
30 HG21 VAL 5 1HG2 VAL 5 0.313 -7.761 1.222
31 HG22 VAL 5 2HG2 VAL 5 0.632 -9.332 0.486
32 HG23 VAL 5 3HG2 VAL 5 0.083 -9.237 2.159
33 H CYS 6 HN CYS 6 3.583 -6.178 3.932
34 HA CYS 6 HA CYS 6 5.887 -7.737 4.855
35 HB2 CYS 6 2HB CYS 6 6.013 -5.478 2.847
36 HB3 CYS 6 3HB CYS 6 7.416 -6.183 3.643
37 H GLU 7 HN GLU 7 4.799 -4.369 4.388
38 HA GLU 7 HA GLU 7 4.461 -2.718 5.956
39 HB2 GLU 7 2HB GLU 7 5.763 -4.328 8.115
40 HB3 GLU 7 3HB GLU 7 4.460 -3.154 8.233
41 HG2 GLU 7 2HG GLU 7 3.473 -5.229 6.636
42 HG3 GLU 7 3HG GLU 7 4.327 -6.004 7.968
43 H VAL 8 HN VAL 8 6.185 -1.875 4.525
44 HA VAL 8 HA VAL 8 8.326 -0.816 6.081
45 HB VAL 8 HB VAL 8 9.852 -1.856 3.998
46 HG11 VAL 8 1HG1 VAL 8 9.915 -3.267 6.596
47 HG12 VAL 8 2HG1 VAL 8 11.220 -2.505 5.683
48 HG13 VAL 8 3HG1 VAL 8 10.117 -1.515 6.640
49 HG21 VAL 8 1HG2 VAL 8 9.498 -4.163 3.872
50 HG22 VAL 8 2HG2 VAL 8 8.430 -4.170 5.275
51 HG23 VAL 8 3HG2 VAL 8 7.879 -3.475 3.752
52 H TRP 9 HN TRP 9 7.666 1.187 5.415
53 HA TRP 9 HA TRP 9 7.151 1.820 2.676
54 HB2 TRP 9 2HB TRP 9 6.021 3.375 3.860
55 HB3 TRP 9 3HB TRP 9 7.082 3.214 5.257
56 HD1 TRP 9 1HD TRP 9 9.211 4.838 5.379
57 HE1 TRP 9 1HE TRP 9 9.741 7.061 4.195
58 HE3 TRP 9 3HE TRP 9 5.706 4.635 1.662
59 HZ2 TRP 9 2HZ TRP 9 8.799 8.534 1.980
60 HZ3 TRP 9 3HZ TRP 9 5.587 6.492 0.051
61 HH2 TRP 9 2HH TRP 9 7.101 8.400 0.209
62 H THR 10 HN THR 10 8.333 3.678 1.603
63 HA THR 10 HA THR 10 11.181 3.788 2.227
64 HB THR 10 HB THR 10 11.497 3.500 -0.394
65 HG1 THR 10 1HG THR 10 10.061 1.977 -1.225
66 HG21 THR 10 1HG2 THR 10 12.123 2.019 1.809
67 HG22 THR 10 2HG2 THR 10 12.604 1.619 0.160
68 HG23 THR 10 3HG2 THR 10 11.173 0.870 0.868
69 H ALA 11 HN ALA 11 9.865 4.596 -0.900
70 HA ALA 11 HA ALA 11 8.929 7.130 -0.646
71 HB1 ALA 11 1HB ALA 11 10.694 8.096 0.441
72 HB2 ALA 11 2HB ALA 11 11.888 7.062 -0.345
73 HB3 ALA 11 3HB ALA 11 11.157 8.398 -1.234
74 H GLU 12 HN GLU 12 10.962 4.933 -2.405
75 HA GLU 12 HA GLU 12 11.111 6.216 -4.877
76 HB2 GLU 12 2HB GLU 12 11.197 3.358 -4.003
77 HB3 GLU 12 3HB GLU 12 11.100 3.721 -5.721
78 HG2 GLU 12 2HG GLU 12 13.104 5.325 -5.159
79 HG3 GLU 12 3HG GLU 12 13.302 4.231 -3.793
80 H SER 13 HN SER 13 9.108 3.326 -4.557
81 HA SER 13 HA SER 13 6.698 4.701 -5.335
82 HB2 SER 13 2HB SER 13 6.399 3.403 -7.437
83 HB3 SER 13 3HB SER 13 7.757 4.524 -7.516
84 HG SER 13 HG SER 13 8.810 2.353 -6.621
85 H LEU 14 HN LEU 14 5.560 3.804 -3.701
86 HA LEU 14 HA LEU 14 5.699 0.931 -3.235
87 HB2 LEU 14 2HB LEU 14 5.222 3.188 -1.625
88 HB3 LEU 14 3HB LEU 14 3.719 2.269 -1.647
89 HG LEU 14 HG LEU 14 6.428 1.294 -0.746
90 HD11 LEU 14 1HD1 LEU 14 5.252 1.031 1.418
91 HD12 LEU 14 2HD1 LEU 14 3.852 1.840 0.718
92 HD13 LEU 14 3HD1 LEU 14 5.377 2.708 0.887
93 HD21 LEU 14 1HD2 LEU 14 5.262 -0.492 -1.900
94 HD22 LEU 14 2HD2 LEU 14 3.806 -0.185 -0.952
95 HD23 LEU 14 3HD2 LEU 14 5.263 -0.789 -0.161
96 H PHE 15 HN PHE 15 3.586 -0.221 -2.844
97 HA PHE 15 HA PHE 15 1.649 0.564 -4.921
98 HB2 PHE 15 2HB PHE 15 2.514 -2.165 -3.964
99 HB3 PHE 15 3HB PHE 15 1.077 -1.914 -4.949
100 HD1 PHE 15 1HD PHE 15 4.568 -0.595 -5.046
101 HD2 PHE 15 2HD PHE 15 1.415 -2.569 -7.116
102 HE1 PHE 15 1HE PHE 15 5.956 -0.674 -7.078
103 HE2 PHE 15 2HE PHE 15 2.797 -2.651 -9.150
104 HZ PHE 15 HZ PHE 15 5.071 -1.704 -9.132
105 HA PRO 16 HA PRO 16 -0.319 -0.610 -5.566
106 HB2 PRO 16 2HB PRO 16 -2.646 0.764 -5.833
107 HB3 PRO 16 3HB PRO 16 -2.577 -0.906 -5.259
108 HG2 PRO 16 2HG PRO 16 -2.828 1.629 -3.686
109 HG3 PRO 16 3HG PRO 16 -3.685 0.090 -3.474
110 HD2 PRO 16 2HD PRO 16 -1.577 0.808 -1.933
111 HD3 PRO 16 3HD PRO 16 -1.922 -0.883 -2.352
112 H CYS 17 HN CYS 17 -1.193 2.516 -4.074
113 HA CYS 17 HA CYS 17 0.773 3.901 -5.661
114 HB2 CYS 17 2HB CYS 17 -0.720 5.326 -6.877
115 HB3 CYS 17 3HB CYS 17 -1.202 3.663 -7.198
116 H ARG 18 HN ARG 18 -0.354 6.481 -5.410
117 HA ARG 18 HA ARG 18 -0.136 6.826 -2.503
118 HB2 ARG 18 2HB ARG 18 0.557 9.107 -2.969
119 HB3 ARG 18 3HB ARG 18 1.543 7.982 -3.891
120 HG2 ARG 18 2HG ARG 18 1.117 9.487 -5.525
121 HG3 ARG 18 3HG ARG 18 -0.308 8.467 -5.731
122 HD2 ARG 18 2HD ARG 18 -1.176 10.629 -5.703
123 HD3 ARG 18 3HD ARG 18 -1.436 10.052 -4.058
124 HE ARG 18 HE ARG 18 1.042 11.419 -4.283
125 HH11 ARG 18 1HH1 ARG 18 -2.395 11.934 -4.083
126 HH12 ARG 18 2HH1 ARG 18 -2.249 13.509 -3.376
127 HH21 ARG 18 1HH2 ARG 18 1.247 13.492 -3.353
128 HH22 ARG 18 2HH2 ARG 18 -0.178 14.395 -2.962
129 H VAL 19 HN VAL 19 -2.296 7.140 -5.145
130 HA VAL 19 HA VAL 19 -4.070 8.969 -3.730
131 HB VAL 19 HB VAL 19 -4.437 7.643 -6.420
132 HG11 VAL 19 1HG1 VAL 19 -5.981 9.830 -6.514
133 HG12 VAL 19 2HG1 VAL 19 -6.572 8.257 -5.977
134 HG13 VAL 19 3HG1 VAL 19 -6.092 9.473 -4.791
135 HG21 VAL 19 1HG2 VAL 19 -2.551 9.071 -6.585
136 HG22 VAL 19 2HG2 VAL 19 -3.911 9.959 -7.272
137 HG23 VAL 19 3HG2 VAL 19 -3.341 10.338 -5.646
138 H CYS 20 HN CYS 20 -3.462 5.742 -3.641
139 HA CYS 20 HA CYS 20 -6.269 4.992 -3.205
140 HB2 CYS 20 2HB CYS 20 -3.805 3.459 -3.934
141 HB3 CYS 20 3HB CYS 20 -5.104 2.628 -3.086
142 H THR 21 HN THR 21 -6.487 3.231 -1.436
143 HA THR 21 HA THR 21 -5.301 4.348 0.993
144 HB THR 21 HB THR 21 -7.014 2.945 2.175
145 HG1 THR 21 1HG THR 21 -8.271 2.612 -0.333
146 HG21 THR 21 1HG2 THR 21 -7.310 5.377 1.351
147 HG22 THR 21 2HG2 THR 21 -8.743 4.478 1.850
148 HG23 THR 21 3HG2 THR 21 -8.377 4.673 0.136
149 H ARG 22 HN ARG 22 -6.470 1.066 0.809
150 HA ARG 22 HA ARG 22 -4.614 -0.193 2.275
151 HB2 ARG 22 2HB ARG 22 -5.566 -1.425 -0.307
152 HB3 ARG 22 3HB ARG 22 -5.173 -2.239 1.201
153 HG2 ARG 22 2HG ARG 22 -7.129 -0.761 2.138
154 HG3 ARG 22 3HG ARG 22 -7.615 -0.723 0.441
155 HD2 ARG 22 2HD ARG 22 -7.029 -3.256 1.965
156 HD3 ARG 22 3HD ARG 22 -8.643 -2.563 1.800
157 HE ARG 22 HE ARG 22 -7.668 -2.797 -0.762
158 HH11 ARG 22 1HH1 ARG 22 -8.305 -4.943 1.905
159 HH12 ARG 22 2HH1 ARG 22 -8.653 -6.307 0.894
160 HH21 ARG 22 1HH2 ARG 22 -8.125 -4.585 -2.103
161 HH22 ARG 22 2HH2 ARG 22 -8.550 -6.101 -1.386
162 H VAL 23 HN VAL 23 -2.701 -1.443 1.848
163 HA VAL 23 HA VAL 23 -1.154 -0.496 -0.474
164 HB VAL 23 HB VAL 23 0.878 -0.544 0.941
165 HG11 VAL 23 1HG1 VAL 23 -0.222 1.410 2.534
166 HG12 VAL 23 2HG1 VAL 23 0.397 1.637 0.897
167 HG13 VAL 23 3HG1 VAL 23 -1.324 1.348 1.158
168 HG21 VAL 23 1HG2 VAL 23 -1.116 -1.048 3.142
169 HG22 VAL 23 2HG2 VAL 23 0.246 -2.065 2.667
170 HG23 VAL 23 3HG2 VAL 23 0.536 -0.498 3.424
171 H PHE 24 HN PHE 24 -0.332 -2.063 -1.694
172 HA PHE 24 HA PHE 24 0.428 -4.611 -0.521
173 HB2 PHE 24 2HB PHE 24 -0.982 -5.340 -2.850
174 HB3 PHE 24 3HB PHE 24 -1.399 -5.717 -1.181
175 HD1 PHE 24 1HD PHE 24 -3.305 -4.807 -0.190
176 HD2 PHE 24 2HD PHE 24 -1.851 -3.181 -3.845
177 HE1 PHE 24 1HE PHE 24 -5.344 -3.443 -0.391
178 HE2 PHE 24 2HE PHE 24 -3.887 -1.814 -4.051
179 HZ PHE 24 HZ PHE 24 -5.635 -1.944 -2.322
180 H HIS 25 HN HIS 25 2.418 -4.931 -1.239
181 HA HIS 25 HA HIS 25 3.726 -3.609 -3.250
182 HB2 HIS 25 2HB HIS 25 4.146 -6.319 -2.029
183 HB3 HIS 25 3HB HIS 25 5.182 -5.770 -3.344
184 HD2 HIS 25 2HD HIS 25 4.689 -2.642 -1.523
185 HE1 HIS 25 1HE HIS 25 7.809 -4.563 0.618
186 HE2 HIS 25 2HE HIS 25 6.529 -2.420 0.283
187 H ASP 26 HN ASP 26 4.738 -4.833 -5.229
188 HA ASP 26 HA ASP 26 2.496 -5.544 -6.929
189 HB2 ASP 26 2HB ASP 26 3.811 -4.947 -8.714
190 HB3 ASP 26 3HB ASP 26 4.584 -3.992 -7.452
191 H GLY 27 HN GLY 27 5.272 -7.054 -5.442
192 HA2 GLY 27 1HA GLY 27 4.913 -9.509 -6.975
193 HA3 GLY 27 2HA GLY 27 6.172 -9.195 -5.790
194 H CYS 28 HN CYS 28 4.090 -8.210 -3.862
195 HA CYS 28 HA CYS 28 3.632 -10.710 -2.569
196 HB2 CYS 28 2HB CYS 28 2.871 -7.866 -1.957
197 HB3 CYS 28 3HB CYS 28 2.262 -9.198 -0.981
198 H LEU 29 HN LEU 29 1.676 -8.508 -4.472
199 HA LEU 29 HA LEU 29 -0.834 -9.696 -3.868
200 HB2 LEU 29 2HB LEU 29 0.102 -7.961 -6.140
201 HB3 LEU 29 3HB LEU 29 -1.564 -8.506 -5.970
202 HG LEU 29 HG LEU 29 -0.114 -6.831 -3.924
203 HD11 LEU 29 1HD1 LEU 29 -0.274 -5.408 -5.759
204 HD12 LEU 29 2HD1 LEU 29 -1.728 -5.054 -4.829
205 HD13 LEU 29 3HD1 LEU 29 -1.826 -6.074 -6.263
206 HD21 LEU 29 1HD2 LEU 29 -2.653 -8.219 -3.984
207 HD22 LEU 29 2HD2 LEU 29 -2.859 -6.487 -3.720
208 HD23 LEU 29 3HD2 LEU 29 -1.831 -7.429 -2.639
209 H ARG 30 HN ARG 30 1.708 -10.417 -6.126
210 HA ARG 30 HA ARG 30 0.047 -12.243 -7.662
211 HB2 ARG 30 2HB ARG 30 1.607 -12.049 -9.267
212 HB3 ARG 30 3HB ARG 30 2.252 -10.732 -8.298
213 HG2 ARG 30 2HG ARG 30 3.798 -12.275 -7.213
214 HG3 ARG 30 3HG ARG 30 3.144 -13.604 -8.173
215 HD2 ARG 30 2HD ARG 30 3.774 -12.186 -10.212
216 HD3 ARG 30 3HD ARG 30 4.745 -11.235 -9.087
217 HE ARG 30 HE ARG 30 6.281 -12.924 -9.058
218 HH11 ARG 30 1HH1 ARG 30 3.270 -14.167 -10.284
219 HH12 ARG 30 2HH1 ARG 30 3.929 -15.713 -10.706
220 HH21 ARG 30 1HH2 ARG 30 7.161 -14.956 -9.609
221 HH22 ARG 30 2HH2 ARG 30 6.142 -16.160 -10.321
222 H ARG 31 HN ARG 31 2.197 -12.311 -4.978
223 HA ARG 31 HA ARG 31 2.826 -15.119 -5.192
224 HB2 ARG 31 2HB ARG 31 3.972 -12.984 -3.878
225 HB3 ARG 31 3HB ARG 31 3.205 -13.874 -2.570
226 HG2 ARG 31 2HG ARG 31 4.732 -15.492 -2.638
227 HG3 ARG 31 3HG ARG 31 4.663 -15.600 -4.398
228 HD2 ARG 31 2HD ARG 31 6.463 -14.287 -4.664
229 HD3 ARG 31 3HD ARG 31 5.946 -13.167 -3.404
230 HE ARG 31 HE ARG 31 6.769 -15.390 -2.050
231 HH11 ARG 31 1HH1 ARG 31 8.214 -13.247 -4.381
232 HH12 ARG 31 2HH1 ARG 31 9.823 -13.461 -3.776
233 HH21 ARG 31 1HH2 ARG 31 8.883 -15.680 -1.243
234 HH22 ARG 31 2HH2 ARG 31 10.203 -14.845 -1.991
235 H MET 32 HN MET 32 0.648 -13.091 -3.283
236 HA MET 32 HA MET 32 -0.410 -15.387 -1.861
237 HB2 MET 32 2HB MET 32 -1.403 -12.535 -1.811
238 HB3 MET 32 3HB MET 32 -1.757 -13.801 -0.643
239 HG2 MET 32 2HG MET 32 1.002 -12.720 -1.144
240 HG3 MET 32 3HG MET 32 -0.085 -12.105 0.098
241 HE1 MET 32 1HE MET 32 -0.750 -14.700 2.441
242 HE2 MET 32 2HE MET 32 0.520 -13.570 2.912
243 HE3 MET 32 3HE MET 32 -0.827 -13.017 1.917
244 H GLY 33 HN GLY 33 -0.710 -14.857 -4.869
245 HA2 GLY 33 1HA GLY 33 -2.321 -15.127 -6.486
246 HA3 GLY 33 2HA GLY 33 -3.134 -16.118 -5.284
247 H TYR 34 HN TYR 34 -2.520 -12.730 -4.743
248 HA TYR 34 HA TYR 34 -5.264 -12.201 -4.236
249 HB2 TYR 34 2HB TYR 34 -2.756 -10.589 -4.304
250 HB3 TYR 34 3HB TYR 34 -4.290 -9.730 -4.373
251 HD1 TYR 34 1HD TYR 34 -1.866 -10.357 -2.186
252 HD2 TYR 34 2HD TYR 34 -6.024 -11.164 -2.586
253 HE1 TYR 34 1HE TYR 34 -2.061 -10.524 0.260
254 HE2 TYR 34 2HE TYR 34 -6.232 -11.331 -0.141
255 HH TYR 34 HH TYR 34 -3.773 -10.325 1.987
256 H ILE 35 HN ILE 35 -3.268 -12.003 -7.051
257 HA ILE 35 HA ILE 35 -5.573 -11.311 -8.663
258 HB ILE 35 HB ILE 35 -4.956 -9.282 -9.437
259 HG12 ILE 35 2HG1 ILE 35 -2.939 -10.037 -10.545
260 HG13 ILE 35 3HG1 ILE 35 -2.595 -8.537 -9.693
261 HG21 ILE 35 1HG2 ILE 35 -3.896 -7.886 -7.725
262 HG22 ILE 35 2HG2 ILE 35 -5.081 -8.988 -7.026
263 HG23 ILE 35 3HG2 ILE 35 -3.359 -9.338 -6.881
264 HD11 ILE 35 1HD1 ILE 35 -0.825 -9.602 -8.878
265 HD12 ILE 35 2HD1 ILE 35 -1.964 -10.454 -7.836
266 HD13 ILE 35 3HD1 ILE 35 -1.447 -11.181 -9.358
267 H GLN 36 HN GLN 36 -4.897 -11.243 -11.059
268 HA GLN 36 HA GLN 36 -3.462 -13.670 -11.598
269 HB2 GLN 36 2HB GLN 36 -5.115 -11.760 -13.144
270 HB3 GLN 36 3HB GLN 36 -3.909 -12.657 -14.056
271 HG2 GLN 36 2HG GLN 36 -5.073 -14.553 -13.951
272 HG3 GLN 36 3HG GLN 36 -5.462 -14.329 -12.246
273 HE21 GLN 36 1HE2 GLN 36 -6.837 -14.761 -15.107
274 HE22 GLN 36 2HE2 GLN 36 -8.304 -13.871 -14.905
275 H GLY 37 HN GLY 37 -3.094 -10.612 -13.360
276 HA2 GLY 37 1HA GLY 37 -0.167 -10.930 -13.083
277 HA3 GLY 37 2HA GLY 37 -0.932 -10.416 -14.580
278 H ASP 38 HN ASP 38 0.820 -8.706 -14.069
279 HA ASP 38 HA ASP 38 -0.585 -6.402 -12.984
280 HB2 ASP 38 2HB ASP 38 1.175 -5.734 -11.494
281 HB3 ASP 38 3HB ASP 38 0.735 -7.392 -11.093
282 H SER 39 HN SER 39 1.462 -4.568 -13.042
283 HA SER 39 HA SER 39 2.513 -4.725 -15.783
284 HB2 SER 39 2HB SER 39 0.380 -3.255 -15.415
285 HB3 SER 39 3HB SER 39 1.514 -2.115 -14.691
286 HG SER 39 HG SER 39 1.613 -1.545 -16.753
287 H ALA 40 HN ALA 40 4.293 -3.204 -16.196
288 HA ALA 40 HA ALA 40 6.243 -3.332 -14.145
289 HB1 ALA 40 1HB ALA 40 6.654 -1.452 -16.393
290 HB2 ALA 40 2HB ALA 40 7.729 -2.682 -15.729
291 HB3 ALA 40 3HB ALA 40 6.410 -3.150 -16.801
292 H ALA 41 HN ALA 41 7.534 -0.812 -14.483
293 HA ALA 41 HA ALA 41 5.650 1.115 -13.338
294 HB1 ALA 41 1HB ALA 41 8.197 0.200 -12.018
295 HB2 ALA 41 2HB ALA 41 7.331 1.669 -11.563
296 HB3 ALA 41 3HB ALA 41 6.553 0.096 -11.386
297 H GLU 42 HN GLU 42 9.058 1.575 -13.011
298 HA GLU 42 HA GLU 42 10.317 3.358 -13.758
299 HB2 GLU 42 2HB GLU 42 9.891 1.370 -15.774
300 HB3 GLU 42 3HB GLU 42 10.037 2.943 -16.548
301 HG2 GLU 42 2HG GLU 42 12.204 3.231 -15.878
302 HG3 GLU 42 3HG GLU 42 12.025 2.183 -14.473
303 H VAL 43 HN VAL 43 9.058 5.146 -13.171
304 HA VAL 43 HA VAL 43 8.150 6.734 -15.384
305 HB VAL 43 HB VAL 43 6.174 5.530 -13.489
306 HG11 VAL 43 1HG1 VAL 43 5.964 8.255 -14.754
307 HG12 VAL 43 2HG1 VAL 43 4.578 7.351 -14.143
308 HG13 VAL 43 3HG1 VAL 43 5.861 7.849 -13.041
309 HG21 VAL 43 1HG2 VAL 43 6.586 5.754 -16.387
310 HG22 VAL 43 2HG2 VAL 43 5.793 4.490 -15.447
311 HG23 VAL 43 3HG2 VAL 43 4.918 5.965 -15.855
312 H THR 44 HN THR 44 8.171 6.341 -11.860
313 HA THR 44 HA THR 44 9.579 8.772 -11.454
314 HB THR 44 HB THR 44 6.973 9.317 -11.867
315 HG1 THR 44 1HG THR 44 8.469 10.941 -11.574
316 HG21 THR 44 1HG2 THR 44 6.328 7.910 -9.902
317 HG22 THR 44 2HG2 THR 44 5.798 9.588 -9.790
318 HG23 THR 44 3HG2 THR 44 7.200 9.043 -8.870
319 H GLU 45 HN GLU 45 10.375 8.954 -9.372
320 HA GLU 45 HA GLU 45 9.745 6.690 -7.596
321 HB2 GLU 45 2HB GLU 45 12.278 8.135 -8.226
322 HB3 GLU 45 3HB GLU 45 12.080 7.472 -6.610
323 HG2 GLU 45 2HG GLU 45 11.672 5.258 -7.580
324 HG3 GLU 45 3HG GLU 45 11.914 5.931 -9.191
325 H MET 46 HN MET 46 9.020 9.826 -7.954
326 HA MET 46 HA MET 46 9.588 11.109 -5.565
327 HB2 MET 46 2HB MET 46 7.101 11.323 -7.272
328 HB3 MET 46 3HB MET 46 7.549 12.461 -6.009
329 HG2 MET 46 2HG MET 46 9.195 11.874 -8.458
330 HG3 MET 46 3HG MET 46 8.107 13.247 -8.272
331 HE1 MET 46 1HE MET 46 10.838 15.452 -8.110
332 HE2 MET 46 2HE MET 46 11.688 14.005 -8.654
333 HE3 MET 46 3HE MET 46 10.041 14.321 -9.204
334 H ALA 47 HN ALA 47 6.335 9.845 -6.252
335 HA ALA 47 HA ALA 47 4.900 8.593 -4.977
336 HB1 ALA 47 1HB ALA 47 7.321 7.678 -4.125
337 HB2 ALA 47 2HB ALA 47 6.616 8.284 -2.625
338 HB3 ALA 47 3HB ALA 47 5.758 7.070 -3.575
339 H HIS 48 HN HIS 48 6.330 11.480 -4.136
340 HA HIS 48 HA HIS 48 4.430 11.932 -1.930
341 HB2 HIS 48 2HB HIS 48 7.049 12.245 -1.704
342 HB3 HIS 48 3HB HIS 48 6.701 13.801 -2.450
343 HD1 HIS 48 1HD HIS 48 7.637 13.168 0.587
344 HD2 HIS 48 2HD HIS 48 3.863 14.308 -0.720
345 HE1 HIS 48 1HE HIS 48 6.520 14.207 2.586
346 H THR 49 HN THR 49 5.917 13.513 -4.748
347 HA THR 49 HA THR 49 4.452 15.834 -4.845
348 HB THR 49 HB THR 49 4.781 15.817 -7.300
349 HG1 THR 49 1HG THR 49 6.276 13.542 -7.384
350 HG21 THR 49 1HG2 THR 49 6.984 15.210 -5.392
351 HG22 THR 49 2HG2 THR 49 6.669 16.674 -6.324
352 HG23 THR 49 3HG2 THR 49 7.363 15.259 -7.113
353 H GLU 50 HN GLU 50 2.778 16.328 -6.646
354 HA GLU 50 HA GLU 50 0.496 14.600 -6.136
355 HB2 GLU 50 2HB GLU 50 0.839 17.359 -7.263
356 HB3 GLU 50 3HB GLU 50 -0.669 16.487 -7.500
357 HG2 GLU 50 2HG GLU 50 -1.231 17.528 -5.590
358 HG3 GLU 50 3HG GLU 50 -0.392 16.160 -4.862
359 H THR 51 HN THR 51 2.198 13.210 -7.657
360 HA THR 51 HA THR 51 1.490 13.541 -10.462
361 HB THR 51 HB THR 51 2.990 11.474 -10.721
362 HG1 THR 51 1HG THR 51 4.314 12.044 -8.403
363 HG21 THR 51 1HG2 THR 51 5.007 12.801 -10.650
364 HG22 THR 51 2HG2 THR 51 4.248 13.961 -9.558
365 HG23 THR 51 3HG2 THR 51 3.677 13.809 -11.220
366 H GLY 52 HN GLY 52 1.136 11.127 -7.879
367 HA2 GLY 52 1HA GLY 52 -0.569 9.600 -7.549
368 HA3 GLY 52 2HA GLY 52 -1.365 10.236 -8.980
369 H TRP 53 HN TRP 53 0.432 7.680 -7.680
370 HA TRP 53 HA TRP 53 1.435 6.661 -10.182
371 HB2 TRP 53 2HB TRP 53 2.560 6.256 -7.984
372 HB3 TRP 53 3HB TRP 53 1.200 5.233 -7.527
373 HD1 TRP 53 1HD TRP 53 1.179 2.778 -8.423
374 HE1 TRP 53 1HE TRP 53 2.833 1.367 -9.800
375 HE3 TRP 53 3HE TRP 53 4.337 6.495 -9.953
376 HZ2 TRP 53 2HZ TRP 53 5.168 1.775 -11.332
377 HZ3 TRP 53 3HZ TRP 53 6.257 5.901 -11.373
378 HH2 TRP 53 2HH TRP 53 6.663 3.589 -12.047
379 H SER 54 HN SER 54 0.693 4.857 -11.308
380 HA SER 54 HA SER 54 -2.159 4.449 -11.167
381 HB2 SER 54 2HB SER 54 -1.476 2.751 -13.090
382 HB3 SER 54 3HB SER 54 -1.515 4.489 -13.380
383 HG SER 54 HG SER 54 0.450 3.228 -14.017
384 H CYS 55 HN CYS 55 -3.226 2.500 -10.788
385 HA CYS 55 HA CYS 55 -1.725 0.173 -9.940
386 HB2 CYS 55 2HB CYS 55 -2.448 0.086 -7.709
387 HB3 CYS 55 3HB CYS 55 -1.978 1.768 -7.934
388 H HIS 56 HN HIS 56 -3.777 -1.178 -8.641
389 HA HIS 56 HA HIS 56 -5.376 -1.979 -10.873
390 HB2 HIS 56 2HB HIS 56 -4.655 -3.051 -8.319
391 HB3 HIS 56 3HB HIS 56 -6.409 -3.102 -8.478
392 HD1 HIS 56 1HD HIS 56 -6.741 -3.832 -11.399
393 HD2 HIS 56 2HD HIS 56 -3.896 -5.578 -8.928
394 HE1 HIS 56 1HE HIS 56 -6.194 -6.044 -12.463
395 H TYR 57 HN TYR 57 -6.076 -0.417 -7.758
396 HA TYR 57 HA TYR 57 -8.787 0.180 -8.708
397 HB2 TYR 57 2HB TYR 57 -7.777 0.708 -5.924
398 HB3 TYR 57 3HB TYR 57 -9.434 0.460 -6.464
399 HD1 TYR 57 1HD TYR 57 -7.202 -0.965 -4.443
400 HD2 TYR 57 2HD TYR 57 -9.386 -1.992 -7.947
401 HE1 TYR 57 1HE TYR 57 -7.035 -3.345 -3.842
402 HE2 TYR 57 2HE TYR 57 -9.225 -4.374 -7.357
403 HH TYR 57 HH TYR 57 -8.414 -5.475 -4.362
404 H CYS 58 HN CYS 58 -7.240 1.685 -10.125
405 HA CYS 58 HA CYS 58 -6.920 4.261 -8.749
406 HB2 CYS 58 2HB CYS 58 -5.462 2.895 -10.884
407 HB3 CYS 58 3HB CYS 58 -5.840 4.570 -11.273
408 H ASP 59 HN ASP 59 -7.694 3.301 -12.092
409 HA ASP 59 HA ASP 59 -10.084 4.999 -11.973
410 HB2 ASP 59 2HB ASP 59 -7.837 5.182 -13.969
411 HB3 ASP 59 3HB ASP 59 -9.463 5.736 -14.361
412 H ASN 60 HN ASN 60 -8.682 3.594 -14.863
413 HA ASN 60 HA ASN 60 -10.145 1.168 -14.822
414 HB2 ASN 60 2HB ASN 60 -11.780 3.294 -15.352
415 HB3 ASN 60 3HB ASN 60 -11.297 2.813 -16.975
416 HD21 ASN 60 1HD2 ASN 60 -13.845 2.573 -16.543
417 HD22 ASN 60 2HD2 ASN 60 -14.323 0.937 -16.262
Start of MODEL 6
1 H1 GLU 1 HN GLU 1 1.397 4.174 6.389
2 HA GLU 1 HA GLU 1 0.913 2.728 4.700
3 HB2 GLU 1 2HB GLU 1 2.911 4.532 3.347
4 HB3 GLU 1 3HB GLU 1 2.109 3.222 2.491
5 HG2 GLU 1 2HG GLU 1 0.284 4.436 2.195
6 HG3 GLU 1 3HG GLU 1 0.189 4.823 3.911
7 H MET 2 HN MET 2 1.513 0.728 5.310
8 HA MET 2 HA MET 2 4.176 -0.179 4.472
9 HB2 MET 2 2HB MET 2 3.255 -1.547 6.866
10 HB3 MET 2 3HB MET 2 4.817 -0.815 6.523
11 HG2 MET 2 2HG MET 2 2.387 0.736 7.378
12 HG3 MET 2 3HG MET 2 3.620 0.137 8.486
13 HE1 MET 2 1HE MET 2 6.425 2.356 8.389
14 HE2 MET 2 2HE MET 2 5.785 0.741 8.698
15 HE3 MET 2 3HE MET 2 6.635 1.081 7.190
16 H CYS 3 HN CYS 3 4.030 -1.873 3.166
17 HA CYS 3 HA CYS 3 1.813 -3.054 2.195
18 HB2 CYS 3 2HB CYS 3 4.113 -3.478 1.372
19 HB3 CYS 3 3HB CYS 3 4.393 -4.531 2.756
20 H ASP 4 HN ASP 4 0.180 -4.169 3.010
21 HA ASP 4 HA ASP 4 0.122 -5.067 5.693
22 HB2 ASP 4 2HB ASP 4 -1.787 -4.478 3.865
23 HB3 ASP 4 3HB ASP 4 -1.831 -6.239 3.805
24 H VAL 5 HN VAL 5 1.655 -6.379 3.082
25 HA VAL 5 HA VAL 5 1.376 -9.130 4.100
26 HB VAL 5 HB VAL 5 2.255 -8.199 1.363
27 HG11 VAL 5 1HG1 VAL 5 3.475 -10.136 1.646
28 HG12 VAL 5 2HG1 VAL 5 2.256 -10.879 2.682
29 HG13 VAL 5 3HG1 VAL 5 1.981 -10.756 0.944
30 HG21 VAL 5 1HG2 VAL 5 0.054 -9.935 1.216
31 HG22 VAL 5 2HG2 VAL 5 -0.322 -8.774 2.490
32 HG23 VAL 5 3HG2 VAL 5 0.087 -8.206 0.872
33 H CYS 6 HN CYS 6 3.377 -6.510 4.194
34 HA CYS 6 HA CYS 6 5.659 -8.180 4.929
35 HB2 CYS 6 2HB CYS 6 5.880 -5.843 3.019
36 HB3 CYS 6 3HB CYS 6 7.227 -6.775 3.664
37 H GLU 7 HN GLU 7 4.518 -4.816 4.645
38 HA GLU 7 HA GLU 7 4.345 -3.186 6.251
39 HB2 GLU 7 2HB GLU 7 5.773 -4.870 8.273
40 HB3 GLU 7 3HB GLU 7 4.507 -3.676 8.516
41 HG2 GLU 7 2HG GLU 7 3.239 -5.566 7.002
42 HG3 GLU 7 3HG GLU 7 4.315 -6.539 8.003
43 H VAL 8 HN VAL 8 6.036 -2.451 4.645
44 HA VAL 8 HA VAL 8 8.300 -1.449 6.118
45 HB VAL 8 HB VAL 8 9.574 -2.372 3.809
46 HG11 VAL 8 1HG1 VAL 8 10.740 -2.128 5.847
47 HG12 VAL 8 2HG1 VAL 8 9.655 -3.238 6.688
48 HG13 VAL 8 3HG1 VAL 8 10.779 -3.851 5.475
49 HG21 VAL 8 1HG2 VAL 8 9.251 -4.779 3.845
50 HG22 VAL 8 2HG2 VAL 8 8.022 -4.615 5.099
51 HG23 VAL 8 3HG2 VAL 8 7.729 -3.963 3.487
52 H TRP 9 HN TRP 9 8.746 0.554 5.457
53 HA TRP 9 HA TRP 9 8.135 1.322 2.695
54 HB2 TRP 9 2HB TRP 9 6.203 2.172 3.648
55 HB3 TRP 9 3HB TRP 9 6.987 2.510 5.189
56 HD1 TRP 9 1HD TRP 9 7.889 4.917 5.564
57 HE1 TRP 9 1HE TRP 9 7.947 7.061 4.142
58 HE3 TRP 9 3HE TRP 9 6.446 2.949 1.072
59 HZ2 TRP 9 2HZ TRP 9 7.444 7.818 1.469
60 HZ3 TRP 9 3HZ TRP 9 6.258 4.452 -0.867
61 HH2 TRP 9 2HH TRP 9 6.747 6.835 -0.671
62 H THR 10 HN THR 10 9.129 3.406 2.086
63 HA THR 10 HA THR 10 11.280 4.379 3.768
64 HB THR 10 HB THR 10 11.985 3.315 1.033
65 HG1 THR 10 1HG THR 10 13.007 1.601 2.237
66 HG21 THR 10 1HG2 THR 10 13.281 5.155 2.542
67 HG22 THR 10 2HG2 THR 10 14.085 4.056 1.421
68 HG23 THR 10 3HG2 THR 10 14.014 3.668 3.140
69 H ALA 11 HN ALA 11 10.484 4.414 0.288
70 HA ALA 11 HA ALA 11 9.228 6.792 0.020
71 HB1 ALA 11 1HB ALA 11 12.045 7.215 0.727
72 HB2 ALA 11 2HB ALA 11 11.483 8.136 -0.669
73 HB3 ALA 11 3HB ALA 11 10.658 8.294 0.882
74 H GLU 12 HN GLU 12 11.693 4.661 -1.180
75 HA GLU 12 HA GLU 12 12.234 5.334 -3.705
76 HB2 GLU 12 2HB GLU 12 11.586 2.727 -2.447
77 HB3 GLU 12 3HB GLU 12 11.607 2.767 -4.205
78 HG2 GLU 12 2HG GLU 12 13.902 3.840 -3.997
79 HG3 GLU 12 3HG GLU 12 13.848 3.355 -2.303
80 H SER 13 HN SER 13 9.589 3.016 -3.511
81 HA SER 13 HA SER 13 7.618 4.719 -4.654
82 HB2 SER 13 2HB SER 13 7.493 3.774 -6.881
83 HB3 SER 13 3HB SER 13 9.124 4.394 -6.622
84 HG SER 13 HG SER 13 8.319 1.874 -7.168
85 H LEU 14 HN LEU 14 6.460 3.794 -2.917
86 HA LEU 14 HA LEU 14 5.904 0.933 -3.031
87 HB2 LEU 14 2HB LEU 14 6.401 2.242 -0.892
88 HB3 LEU 14 3HB LEU 14 4.771 2.892 -1.058
89 HG LEU 14 HG LEU 14 4.029 0.420 -1.085
90 HD11 LEU 14 1HD1 LEU 14 6.561 -0.010 0.450
91 HD12 LEU 14 2HD1 LEU 14 6.504 -0.287 -1.291
92 HD13 LEU 14 3HD1 LEU 14 5.442 -1.199 -0.219
93 HD21 LEU 14 1HD2 LEU 14 4.915 0.763 1.615
94 HD22 LEU 14 2HD2 LEU 14 3.296 0.953 0.940
95 HD23 LEU 14 3HD2 LEU 14 4.412 2.320 0.953
96 H PHE 15 HN PHE 15 3.811 0.080 -3.226
97 HA PHE 15 HA PHE 15 1.950 1.847 -4.649
98 HB2 PHE 15 2HB PHE 15 1.532 -1.100 -4.569
99 HB3 PHE 15 3HB PHE 15 1.250 0.040 -5.881
100 HD1 PHE 15 1HD PHE 15 3.575 1.231 -6.653
101 HD2 PHE 15 2HD PHE 15 3.163 -2.650 -4.954
102 HE1 PHE 15 1HE PHE 15 5.696 0.551 -7.700
103 HE2 PHE 15 2HE PHE 15 5.283 -3.335 -5.998
104 HZ PHE 15 HZ PHE 15 6.553 -1.734 -7.373
105 HA PRO 16 HA PRO 16 -0.230 1.311 -5.440
106 HB2 PRO 16 2HB PRO 16 -2.238 3.104 -5.087
107 HB3 PRO 16 3HB PRO 16 -2.492 1.356 -5.040
108 HG2 PRO 16 2HG PRO 16 -2.186 3.286 -2.773
109 HG3 PRO 16 3HG PRO 16 -3.329 1.943 -2.952
110 HD2 PRO 16 2HD PRO 16 -1.081 1.753 -1.456
111 HD3 PRO 16 3HD PRO 16 -1.769 0.366 -2.325
112 H CYS 17 HN CYS 17 -0.634 3.578 -6.566
113 HA CYS 17 HA CYS 17 1.629 5.049 -6.550
114 HB2 CYS 17 2HB CYS 17 0.282 6.956 -7.447
115 HB3 CYS 17 3HB CYS 17 -0.052 5.417 -8.233
116 H ARG 18 HN ARG 18 -1.250 5.785 -4.593
117 HA ARG 18 HA ARG 18 -0.113 6.461 -2.248
118 HB2 ARG 18 2HB ARG 18 1.242 8.202 -2.672
119 HB3 ARG 18 3HB ARG 18 0.541 8.463 -4.264
120 HG2 ARG 18 2HG ARG 18 0.301 10.407 -2.782
121 HG3 ARG 18 3HG ARG 18 -1.253 9.759 -3.309
122 HD2 ARG 18 2HD ARG 18 -0.710 8.378 -0.973
123 HD3 ARG 18 3HD ARG 18 -0.151 10.016 -0.635
124 HE ARG 18 HE ARG 18 -2.658 10.245 -1.795
125 HH11 ARG 18 1HH1 ARG 18 -1.259 8.862 1.078
126 HH12 ARG 18 2HH1 ARG 18 -2.688 9.076 2.034
127 HH21 ARG 18 1HH2 ARG 18 -4.544 10.532 -0.547
128 HH22 ARG 18 2HH2 ARG 18 -4.557 10.026 1.108
129 H VAL 19 HN VAL 19 -2.199 8.222 -4.546
130 HA VAL 19 HA VAL 19 -4.065 9.171 -2.724
131 HB VAL 19 HB VAL 19 -5.505 9.603 -4.529
132 HG11 VAL 19 1HG1 VAL 19 -3.035 10.494 -4.616
133 HG12 VAL 19 2HG1 VAL 19 -2.963 9.510 -6.079
134 HG13 VAL 19 3HG1 VAL 19 -4.155 10.803 -5.942
135 HG21 VAL 19 1HG2 VAL 19 -5.779 7.367 -5.380
136 HG22 VAL 19 2HG2 VAL 19 -5.324 8.434 -6.709
137 HG23 VAL 19 3HG2 VAL 19 -4.126 7.357 -5.994
138 H CYS 20 HN CYS 20 -4.089 6.123 -4.549
139 HA CYS 20 HA CYS 20 -6.541 5.130 -3.743
140 HB2 CYS 20 2HB CYS 20 -3.980 3.594 -4.235
141 HB3 CYS 20 3HB CYS 20 -5.590 2.883 -4.172
142 H THR 21 HN THR 21 -6.975 3.345 -2.206
143 HA THR 21 HA THR 21 -5.814 3.997 0.387
144 HB THR 21 HB THR 21 -7.684 3.041 1.389
145 HG1 THR 21 1HG THR 21 -8.967 1.474 0.381
146 HG21 THR 21 1HG2 THR 21 -8.259 5.022 -0.010
147 HG22 THR 21 2HG2 THR 21 -9.616 3.928 0.258
148 HG23 THR 21 3HG2 THR 21 -8.768 3.919 -1.288
149 H ARG 22 HN ARG 22 -5.389 2.182 1.921
150 HA ARG 22 HA ARG 22 -4.125 0.386 2.513
151 HB2 ARG 22 2HB ARG 22 -5.259 -0.897 0.023
152 HB3 ARG 22 3HB ARG 22 -4.620 -1.718 1.440
153 HG2 ARG 22 2HG ARG 22 -6.537 -0.278 2.617
154 HG3 ARG 22 3HG ARG 22 -7.245 -0.441 1.009
155 HD2 ARG 22 2HD ARG 22 -6.103 -2.899 2.167
156 HD3 ARG 22 3HD ARG 22 -7.532 -2.262 2.980
157 HE ARG 22 HE ARG 22 -7.514 -3.672 0.565
158 HH11 ARG 22 1HH1 ARG 22 -8.912 -0.797 1.945
159 HH12 ARG 22 2HH1 ARG 22 -10.326 -0.847 0.945
160 HH21 ARG 22 1HH2 ARG 22 -9.371 -3.749 -0.757
161 HH22 ARG 22 2HH2 ARG 22 -10.586 -2.527 -0.590
162 H VAL 23 HN VAL 23 -2.263 -0.969 1.912
163 HA VAL 23 HA VAL 23 -0.863 -0.044 -0.500
164 HB VAL 23 HB VAL 23 1.243 0.139 0.760
165 HG11 VAL 23 1HG1 VAL 23 -0.287 1.997 2.362
166 HG12 VAL 23 2HG1 VAL 23 0.832 2.310 1.033
167 HG13 VAL 23 3HG1 VAL 23 -0.862 1.952 0.696
168 HG21 VAL 23 1HG2 VAL 23 -0.538 -0.557 3.067
169 HG22 VAL 23 2HG2 VAL 23 1.021 -1.251 2.616
170 HG23 VAL 23 3HG2 VAL 23 0.943 0.368 3.311
171 H PHE 24 HN PHE 24 -0.003 -1.654 -1.641
172 HA PHE 24 HA PHE 24 0.871 -4.094 -0.313
173 HB2 PHE 24 2HB PHE 24 -0.509 -5.014 -2.588
174 HB3 PHE 24 3HB PHE 24 -0.929 -5.284 -0.900
175 HD1 PHE 24 1HD PHE 24 -2.919 -4.457 -0.047
176 HD2 PHE 24 2HD PHE 24 -1.374 -2.855 -3.676
177 HE1 PHE 24 1HE PHE 24 -4.992 -3.168 -0.356
178 HE2 PHE 24 2HE PHE 24 -3.444 -1.563 -3.990
179 HZ PHE 24 HZ PHE 24 -5.255 -1.717 -2.328
180 H HIS 25 HN HIS 25 2.596 -5.021 -1.283
181 HA HIS 25 HA HIS 25 4.039 -3.588 -3.229
182 HB2 HIS 25 2HB HIS 25 4.348 -6.421 -2.224
183 HB3 HIS 25 3HB HIS 25 5.503 -5.630 -3.292
184 HD2 HIS 25 2HD HIS 25 4.530 -2.969 -0.903
185 HE1 HIS 25 1HE HIS 25 7.717 -5.014 1.008
186 HE2 HIS 25 2HE HIS 25 6.223 -2.988 1.052
187 H ASP 26 HN ASP 26 4.990 -5.031 -5.167
188 HA ASP 26 HA ASP 26 2.660 -5.613 -6.832
189 HB2 ASP 26 2HB ASP 26 4.201 -4.050 -7.804
190 HB3 ASP 26 3HB ASP 26 5.565 -5.123 -7.501
191 H GLY 27 HN GLY 27 5.413 -7.163 -5.373
192 HA2 GLY 27 1HA GLY 27 5.023 -9.606 -6.921
193 HA3 GLY 27 2HA GLY 27 6.293 -9.312 -5.744
194 H CYS 28 HN CYS 28 3.949 -8.259 -3.981
195 HA CYS 28 HA CYS 28 3.594 -10.743 -2.578
196 HB2 CYS 28 2HB CYS 28 2.809 -7.892 -2.088
197 HB3 CYS 28 3HB CYS 28 2.065 -9.175 -1.138
198 H LEU 29 HN LEU 29 1.281 -8.355 -3.881
199 HA LEU 29 HA LEU 29 -1.039 -9.793 -3.563
200 HB2 LEU 29 2HB LEU 29 -0.359 -8.026 -5.908
201 HB3 LEU 29 3HB LEU 29 -1.979 -8.466 -5.370
202 HG LEU 29 HG LEU 29 -0.031 -6.837 -3.742
203 HD11 LEU 29 1HD1 LEU 29 -0.667 -4.997 -4.809
204 HD12 LEU 29 2HD1 LEU 29 -2.370 -5.440 -4.692
205 HD13 LEU 29 3HD1 LEU 29 -1.393 -6.039 -6.032
206 HD21 LEU 29 1HD2 LEU 29 -2.756 -7.905 -3.309
207 HD22 LEU 29 2HD2 LEU 29 -2.452 -6.254 -2.768
208 HD23 LEU 29 3HD2 LEU 29 -1.465 -7.581 -2.153
209 H ARG 30 HN ARG 30 1.340 -10.028 -6.156
210 HA ARG 30 HA ARG 30 -0.184 -11.848 -7.742
211 HB2 ARG 30 2HB ARG 30 2.405 -10.539 -7.882
212 HB3 ARG 30 3HB ARG 30 2.497 -12.215 -8.406
213 HG2 ARG 30 2HG ARG 30 0.996 -11.877 -10.157
214 HG3 ARG 30 3HG ARG 30 0.392 -10.370 -9.467
215 HD2 ARG 30 2HD ARG 30 1.923 -9.191 -10.566
216 HD3 ARG 30 3HD ARG 30 3.221 -10.188 -9.913
217 HE ARG 30 HE ARG 30 1.998 -10.407 -12.515
218 HH11 ARG 30 1HH1 ARG 30 3.875 -12.006 -10.058
219 HH12 ARG 30 2HH1 ARG 30 4.585 -13.143 -11.155
220 HH21 ARG 30 1HH2 ARG 30 2.925 -11.899 -13.971
221 HH22 ARG 30 2HH2 ARG 30 4.045 -13.080 -13.381
222 H ARG 31 HN ARG 31 2.593 -12.239 -5.551
223 HA ARG 31 HA ARG 31 2.704 -15.063 -5.798
224 HB2 ARG 31 2HB ARG 31 4.495 -13.387 -4.929
225 HB3 ARG 31 3HB ARG 31 3.690 -13.586 -3.380
226 HG2 ARG 31 2HG ARG 31 4.671 -15.931 -4.973
227 HG3 ARG 31 3HG ARG 31 5.709 -15.055 -3.847
228 HD2 ARG 31 2HD ARG 31 3.486 -15.476 -2.331
229 HD3 ARG 31 3HD ARG 31 3.512 -16.929 -3.329
230 HE ARG 31 HE ARG 31 5.364 -17.641 -2.185
231 HH11 ARG 31 1HH1 ARG 31 4.860 -14.255 -1.554
232 HH12 ARG 31 2HH1 ARG 31 6.071 -14.171 -0.319
233 HH21 ARG 31 1HH2 ARG 31 6.961 -17.544 -0.560
234 HH22 ARG 31 2HH2 ARG 31 7.267 -16.042 0.245
235 H MET 32 HN MET 32 0.520 -13.039 -4.236
236 HA MET 32 HA MET 32 -0.235 -15.111 -2.294
237 HB2 MET 32 2HB MET 32 -1.019 -12.196 -2.454
238 HB3 MET 32 3HB MET 32 -1.607 -13.327 -1.242
239 HG2 MET 32 2HG MET 32 1.315 -12.782 -1.623
240 HG3 MET 32 3HG MET 32 0.299 -11.784 -0.586
241 HE1 MET 32 1HE MET 32 0.110 -12.755 2.319
242 HE2 MET 32 2HE MET 32 -1.146 -12.576 1.093
243 HE3 MET 32 3HE MET 32 -1.031 -14.068 2.026
244 H GLY 33 HN GLY 33 -0.837 -14.727 -5.328
245 HA2 GLY 33 1HA GLY 33 -2.628 -15.008 -6.753
246 HA3 GLY 33 2HA GLY 33 -3.181 -16.119 -5.509
247 H TYR 34 HN TYR 34 -2.827 -12.756 -4.756
248 HA TYR 34 HA TYR 34 -5.567 -12.539 -4.011
249 HB2 TYR 34 2HB TYR 34 -3.175 -10.793 -3.940
250 HB3 TYR 34 3HB TYR 34 -4.732 -9.972 -3.971
251 HD1 TYR 34 1HD TYR 34 -2.365 -10.579 -1.776
252 HD2 TYR 34 2HD TYR 34 -6.421 -11.722 -2.358
253 HE1 TYR 34 1HE TYR 34 -2.602 -10.949 0.645
254 HE2 TYR 34 2HE TYR 34 -6.670 -12.094 0.060
255 HH TYR 34 HH TYR 34 -4.415 -12.606 2.083
256 H ILE 35 HN ILE 35 -3.638 -11.291 -6.702
257 HA ILE 35 HA ILE 35 -6.079 -10.221 -7.934
258 HB ILE 35 HB ILE 35 -4.575 -9.054 -9.498
259 HG12 ILE 35 2HG1 ILE 35 -2.225 -9.756 -7.789
260 HG13 ILE 35 3HG1 ILE 35 -2.737 -10.899 -9.026
261 HG21 ILE 35 1HG2 ILE 35 -3.465 -7.574 -7.723
262 HG22 ILE 35 2HG2 ILE 35 -5.219 -7.743 -7.676
263 HG23 ILE 35 3HG2 ILE 35 -4.215 -8.653 -6.547
264 HD11 ILE 35 1HD1 ILE 35 -2.526 -8.159 -9.992
265 HD12 ILE 35 2HD1 ILE 35 -1.005 -8.827 -9.396
266 HD13 ILE 35 3HD1 ILE 35 -1.895 -9.658 -10.671
267 H GLN 36 HN GLN 36 -5.888 -10.342 -10.474
268 HA GLN 36 HA GLN 36 -5.975 -13.141 -11.116
269 HB2 GLN 36 2HB GLN 36 -7.331 -10.976 -12.035
270 HB3 GLN 36 3HB GLN 36 -6.142 -11.180 -13.315
271 HG2 GLN 36 2HG GLN 36 -7.657 -12.580 -14.175
272 HG3 GLN 36 3HG GLN 36 -6.991 -13.726 -13.014
273 HE21 GLN 36 1HE2 GLN 36 -8.038 -13.609 -10.806
274 HE22 GLN 36 2HE2 GLN 36 -9.760 -13.466 -10.777
275 H GLY 37 HN GLY 37 -5.148 -12.864 -13.882
276 HA2 GLY 37 1HA GLY 37 -2.224 -12.657 -13.498
277 HA3 GLY 37 2HA GLY 37 -2.967 -13.938 -14.444
278 H ASP 38 HN ASP 38 -2.513 -10.433 -14.287
279 HA ASP 38 HA ASP 38 -1.826 -10.212 -17.006
280 HB2 ASP 38 2HB ASP 38 -3.792 -9.008 -17.863
281 HB3 ASP 38 3HB ASP 38 -4.201 -10.659 -17.399
282 H SER 39 HN SER 39 -0.223 -9.137 -15.605
283 HA SER 39 HA SER 39 -0.727 -6.287 -15.545
284 HB2 SER 39 2HB SER 39 -0.024 -7.799 -13.017
285 HB3 SER 39 3HB SER 39 0.013 -6.043 -13.181
286 HG SER 39 HG SER 39 -1.963 -6.513 -12.354
287 H ALA 40 HN ALA 40 1.233 -5.035 -15.196
288 HA ALA 40 HA ALA 40 3.784 -6.262 -14.998
289 HB1 ALA 40 1HB ALA 40 4.601 -6.086 -17.210
290 HB2 ALA 40 2HB ALA 40 3.058 -6.935 -17.321
291 HB3 ALA 40 3HB ALA 40 3.159 -5.228 -17.753
292 H ALA 41 HN ALA 41 5.359 -4.774 -14.586
293 HA ALA 41 HA ALA 41 5.060 -2.004 -15.316
294 HB1 ALA 41 1HB ALA 41 4.693 -2.886 -12.467
295 HB2 ALA 41 2HB ALA 41 5.209 -1.253 -12.892
296 HB3 ALA 41 3HB ALA 41 3.645 -1.856 -13.444
297 H GLU 42 HN GLU 42 6.672 -2.769 -12.356
298 HA GLU 42 HA GLU 42 8.866 -2.710 -11.753
299 HB2 GLU 42 2HB GLU 42 9.670 -3.898 -14.372
300 HB3 GLU 42 3HB GLU 42 10.236 -4.277 -12.751
301 HG2 GLU 42 2HG GLU 42 8.379 -5.606 -12.281
302 HG3 GLU 42 3HG GLU 42 7.444 -4.926 -13.612
303 H VAL 43 HN VAL 43 7.801 -0.427 -13.166
304 HA VAL 43 HA VAL 43 10.039 0.515 -14.791
305 HB VAL 43 HB VAL 43 7.290 0.974 -14.911
306 HG11 VAL 43 1HG1 VAL 43 7.636 2.653 -13.095
307 HG12 VAL 43 2HG1 VAL 43 8.677 3.553 -14.199
308 HG13 VAL 43 3HG1 VAL 43 6.971 3.321 -14.585
309 HG21 VAL 43 1HG2 VAL 43 9.655 2.246 -16.263
310 HG22 VAL 43 2HG2 VAL 43 8.613 0.957 -16.863
311 HG23 VAL 43 3HG2 VAL 43 7.993 2.602 -16.732
312 H THR 44 HN THR 44 8.758 0.788 -11.614
313 HA THR 44 HA THR 44 9.460 1.898 -9.754
314 HB THR 44 HB THR 44 11.913 2.706 -11.315
315 HG1 THR 44 1HG THR 44 11.297 0.333 -11.248
316 HG21 THR 44 1HG2 THR 44 12.618 3.538 -9.374
317 HG22 THR 44 2HG2 THR 44 12.387 1.971 -8.599
318 HG23 THR 44 3HG2 THR 44 11.063 3.135 -8.648
319 H GLU 45 HN GLU 45 7.900 3.487 -9.712
320 HA GLU 45 HA GLU 45 8.277 5.922 -11.247
321 HB2 GLU 45 2HB GLU 45 6.089 4.704 -9.674
322 HB3 GLU 45 3HB GLU 45 6.153 6.460 -9.657
323 HG2 GLU 45 2HG GLU 45 6.257 4.931 -12.227
324 HG3 GLU 45 3HG GLU 45 4.726 5.306 -11.441
325 H MET 46 HN MET 46 7.006 6.006 -8.000
326 HA MET 46 HA MET 46 9.313 6.853 -6.639
327 HB2 MET 46 2HB MET 46 8.057 9.323 -6.530
328 HB3 MET 46 3HB MET 46 9.545 8.949 -7.390
329 HG2 MET 46 2HG MET 46 8.526 8.911 -9.427
330 HG3 MET 46 3HG MET 46 6.970 8.419 -8.763
331 HE1 MET 46 1HE MET 46 8.498 12.658 -7.897
332 HE2 MET 46 2HE MET 46 8.423 11.375 -6.689
333 HE3 MET 46 3HE MET 46 9.516 11.228 -8.066
334 H ALA 47 HN ALA 47 5.834 6.912 -6.973
335 HA ALA 47 HA ALA 47 4.156 6.576 -5.470
336 HB1 ALA 47 1HB ALA 47 5.580 4.739 -4.664
337 HB2 ALA 47 2HB ALA 47 6.362 5.855 -3.544
338 HB3 ALA 47 3HB ALA 47 4.647 5.484 -3.365
339 H HIS 48 HN HIS 48 3.473 7.281 -3.110
340 HA HIS 48 HA HIS 48 2.894 9.063 -1.814
341 HB2 HIS 48 2HB HIS 48 4.956 8.727 -0.695
342 HB3 HIS 48 3HB HIS 48 5.881 9.409 -2.030
343 HD1 HIS 48 1HD HIS 48 3.007 11.490 -1.292
344 HD2 HIS 48 2HD HIS 48 6.872 11.087 0.178
345 HE1 HIS 48 1HE HIS 48 3.466 13.608 -0.017
346 H THR 49 HN THR 49 5.484 10.956 -3.182
347 HA THR 49 HA THR 49 3.666 13.012 -3.988
348 HB THR 49 HB THR 49 6.564 12.911 -4.791
349 HG1 THR 49 1HG THR 49 6.921 13.952 -2.696
350 HG21 THR 49 1HG2 THR 49 4.454 14.858 -4.859
351 HG22 THR 49 2HG2 THR 49 6.092 14.970 -5.503
352 HG23 THR 49 3HG2 THR 49 5.766 15.434 -3.832
353 H GLU 50 HN GLU 50 3.202 13.749 -6.062
354 HA GLU 50 HA GLU 50 2.730 13.591 -8.282
355 HB2 GLU 50 2HB GLU 50 5.463 12.800 -8.014
356 HB3 GLU 50 3HB GLU 50 4.710 11.791 -9.240
357 HG2 GLU 50 2HG GLU 50 3.851 13.943 -10.273
358 HG3 GLU 50 3HG GLU 50 4.966 14.779 -9.193
359 H THR 51 HN THR 51 2.068 12.055 -10.011
360 HA THR 51 HA THR 51 1.385 9.399 -8.941
361 HB THR 51 HB THR 51 -0.600 10.605 -10.763
362 HG1 THR 51 1HG THR 51 -1.447 11.975 -9.236
363 HG21 THR 51 1HG2 THR 51 -1.253 8.541 -9.951
364 HG22 THR 51 2HG2 THR 51 -2.059 9.631 -8.824
365 HG23 THR 51 3HG2 THR 51 -0.559 8.833 -8.357
366 H GLY 52 HN GLY 52 0.693 7.865 -10.680
367 HA2 GLY 52 1HA GLY 52 0.907 8.080 -13.361
368 HA3 GLY 52 2HA GLY 52 2.590 8.021 -12.860
369 H TRP 53 HN TRP 53 1.883 6.246 -10.569
370 HA TRP 53 HA TRP 53 2.207 3.765 -11.966
371 HB2 TRP 53 2HB TRP 53 3.360 4.199 -9.838
372 HB3 TRP 53 3HB TRP 53 1.806 4.305 -9.015
373 HD1 TRP 53 1HD TRP 53 0.429 1.991 -8.703
374 HE1 TRP 53 1HE TRP 53 1.238 -0.450 -8.613
375 HE3 TRP 53 3HE TRP 53 5.071 2.599 -10.758
376 HZ2 TRP 53 2HZ TRP 53 3.540 -1.924 -9.319
377 HZ3 TRP 53 3HZ TRP 53 6.514 0.623 -11.014
378 HH2 TRP 53 2HH TRP 53 5.763 -1.590 -10.309
379 H SER 54 HN SER 54 0.703 2.330 -12.532
380 HA SER 54 HA SER 54 -2.074 2.927 -12.054
381 HB2 SER 54 2HB SER 54 -1.711 0.347 -13.252
382 HB3 SER 54 3HB SER 54 -2.337 1.824 -13.985
383 HG SER 54 HG SER 54 -0.551 1.887 -15.068
384 H CYS 55 HN CYS 55 -3.586 1.578 -11.022
385 HA CYS 55 HA CYS 55 -2.582 -0.644 -9.426
386 HB2 CYS 55 2HB CYS 55 -4.281 1.272 -7.928
387 HB3 CYS 55 3HB CYS 55 -2.967 0.248 -7.359
388 H HIS 56 HN HIS 56 -4.470 -1.668 -8.178
389 HA HIS 56 HA HIS 56 -6.410 -2.515 -9.988
390 HB2 HIS 56 2HB HIS 56 -5.608 -3.311 -7.499
391 HB3 HIS 56 3HB HIS 56 -7.207 -2.654 -7.156
392 HD1 HIS 56 1HD HIS 56 -5.503 -5.587 -8.546
393 HD2 HIS 56 2HD HIS 56 -9.331 -3.975 -8.609
394 HE1 HIS 56 1HE HIS 56 -7.001 -7.445 -9.338
395 H TYR 57 HN TYR 57 -6.829 -0.320 -7.206
396 HA TYR 57 HA TYR 57 -9.408 0.525 -8.284
397 HB2 TYR 57 2HB TYR 57 -8.117 1.394 -5.696
398 HB3 TYR 57 3HB TYR 57 -9.812 1.543 -6.151
399 HD1 TYR 57 1HD TYR 57 -10.909 -0.831 -6.817
400 HD2 TYR 57 2HD TYR 57 -7.593 -0.281 -4.209
401 HE1 TYR 57 1HE TYR 57 -11.388 -3.001 -5.761
402 HE2 TYR 57 2HE TYR 57 -8.060 -2.449 -3.146
403 HH TYR 57 HH TYR 57 -10.936 -4.096 -3.520
404 H CYS 58 HN CYS 58 -6.820 1.267 -9.520
405 HA CYS 58 HA CYS 58 -6.676 4.141 -9.032
406 HB2 CYS 58 2HB CYS 58 -4.747 2.264 -9.624
407 HB3 CYS 58 3HB CYS 58 -4.998 3.055 -11.175
408 H ASP 59 HN ASP 59 -7.223 1.900 -11.737
409 HA ASP 59 HA ASP 59 -8.916 3.923 -12.999
410 HB2 ASP 59 2HB ASP 59 -6.566 2.567 -14.327
411 HB3 ASP 59 3HB ASP 59 -7.851 3.370 -15.227
412 H ASN 60 HN ASN 60 -10.610 3.103 -14.168
413 HA ASN 60 HA ASN 60 -11.494 0.505 -13.568
414 HB2 ASN 60 2HB ASN 60 -12.780 2.669 -14.375
415 HB3 ASN 60 3HB ASN 60 -12.558 1.940 -15.964
416 HD21 ASN 60 1HD2 ASN 60 -14.601 1.350 -16.402
417 HD22 ASN 60 2HD2 ASN 60 -15.515 0.221 -15.467
Start of MODEL 7
1 H1 GLU 1 HN GLU 1 1.450 4.274 5.442
2 HA GLU 1 HA GLU 1 1.068 2.742 3.778
3 HB2 GLU 1 2HB GLU 1 3.327 4.471 2.897
4 HB3 GLU 1 3HB GLU 1 2.928 3.078 1.901
5 HG2 GLU 1 2HG GLU 1 0.781 3.883 1.436
6 HG3 GLU 1 3HG GLU 1 0.843 5.057 2.749
7 H MET 2 HN MET 2 1.811 1.136 5.553
8 HA MET 2 HA MET 2 4.241 -0.285 4.729
9 HB2 MET 2 2HB MET 2 2.651 -1.092 7.122
10 HB3 MET 2 3HB MET 2 4.388 -1.159 6.859
11 HG2 MET 2 2HG MET 2 4.070 1.485 6.835
12 HG3 MET 2 3HG MET 2 2.699 1.050 7.852
13 HE1 MET 2 1HE MET 2 7.137 0.841 8.890
14 HE2 MET 2 2HE MET 2 6.535 0.267 7.334
15 HE3 MET 2 3HE MET 2 6.332 1.960 7.789
16 H CYS 3 HN CYS 3 3.900 -1.778 3.219
17 HA CYS 3 HA CYS 3 1.670 -2.870 2.235
18 HB2 CYS 3 2HB CYS 3 3.933 -3.411 1.420
19 HB3 CYS 3 3HB CYS 3 4.181 -4.454 2.816
20 H ASP 4 HN ASP 4 -0.053 -3.811 3.081
21 HA ASP 4 HA ASP 4 -0.217 -4.746 5.722
22 HB2 ASP 4 2HB ASP 4 -2.071 -4.037 3.973
23 HB3 ASP 4 3HB ASP 4 -2.113 -5.769 3.653
24 H VAL 5 HN VAL 5 1.232 -6.166 3.070
25 HA VAL 5 HA VAL 5 0.822 -8.894 4.084
26 HB VAL 5 HB VAL 5 2.031 -8.006 1.461
27 HG11 VAL 5 1HG1 VAL 5 2.985 -10.086 1.953
28 HG12 VAL 5 2HG1 VAL 5 1.489 -10.707 2.653
29 HG13 VAL 5 3HG1 VAL 5 1.617 -10.468 0.911
30 HG21 VAL 5 1HG2 VAL 5 -0.717 -8.977 2.197
31 HG22 VAL 5 2HG2 VAL 5 -0.268 -7.494 1.354
32 HG23 VAL 5 3HG2 VAL 5 -0.097 -9.053 0.547
33 H CYS 6 HN CYS 6 3.064 -6.348 4.029
34 HA CYS 6 HA CYS 6 5.154 -8.151 5.041
35 HB2 CYS 6 2HB CYS 6 5.612 -5.799 3.193
36 HB3 CYS 6 3HB CYS 6 6.868 -6.804 3.909
37 H GLU 7 HN GLU 7 4.337 -4.694 4.694
38 HA GLU 7 HA GLU 7 4.101 -3.087 6.325
39 HB2 GLU 7 2HB GLU 7 5.259 -4.909 8.406
40 HB3 GLU 7 3HB GLU 7 4.096 -3.605 8.599
41 HG2 GLU 7 2HG GLU 7 2.917 -5.520 6.898
42 HG3 GLU 7 3HG GLU 7 3.629 -6.391 8.255
43 H VAL 8 HN VAL 8 5.993 -2.548 4.806
44 HA VAL 8 HA VAL 8 8.058 -1.396 6.346
45 HB VAL 8 HB VAL 8 9.697 -2.951 4.689
46 HG11 VAL 8 1HG1 VAL 8 10.414 -3.911 6.951
47 HG12 VAL 8 2HG1 VAL 8 10.521 -2.164 6.733
48 HG13 VAL 8 3HG1 VAL 8 9.180 -2.860 7.643
49 HG21 VAL 8 1HG2 VAL 8 7.615 -4.473 4.676
50 HG22 VAL 8 2HG2 VAL 8 9.184 -5.194 5.040
51 HG23 VAL 8 3HG2 VAL 8 8.056 -4.832 6.346
52 H TRP 9 HN TRP 9 7.670 0.464 5.227
53 HA TRP 9 HA TRP 9 7.448 0.581 2.392
54 HB2 TRP 9 2HB TRP 9 6.446 2.457 3.150
55 HB3 TRP 9 3HB TRP 9 7.394 2.472 4.634
56 HD1 TRP 9 1HD TRP 9 9.879 3.642 4.455
57 HE1 TRP 9 1HE TRP 9 10.674 5.585 2.967
58 HE3 TRP 9 3HE TRP 9 6.161 3.551 0.947
59 HZ2 TRP 9 2HZ TRP 9 9.836 6.906 0.618
60 HZ3 TRP 9 3HZ TRP 9 6.232 5.189 -0.888
61 HH2 TRP 9 2HH TRP 9 8.031 6.831 -1.048
62 H THR 10 HN THR 10 8.924 1.209 0.854
63 HA THR 10 HA THR 10 11.737 1.175 1.720
64 HB THR 10 HB THR 10 11.955 0.804 -0.929
65 HG1 THR 10 1HG THR 10 10.239 -0.450 -1.670
66 HG21 THR 10 1HG2 THR 10 11.194 -1.681 0.444
67 HG22 THR 10 2HG2 THR 10 12.382 -0.699 1.301
68 HG23 THR 10 3HG2 THR 10 12.706 -1.239 -0.346
69 H ALA 11 HN ALA 11 10.385 2.304 -1.340
70 HA ALA 11 HA ALA 11 10.249 4.991 -1.050
71 HB1 ALA 11 1HB ALA 11 12.293 5.554 -0.294
72 HB2 ALA 11 2HB ALA 11 13.048 4.091 -0.928
73 HB3 ALA 11 3HB ALA 11 12.730 5.454 -2.000
74 H GLU 12 HN GLU 12 11.801 2.520 -3.048
75 HA GLU 12 HA GLU 12 11.909 3.632 -5.507
76 HB2 GLU 12 2HB GLU 12 11.103 0.888 -4.622
77 HB3 GLU 12 3HB GLU 12 11.026 1.303 -6.329
78 HG2 GLU 12 2HG GLU 12 13.453 2.061 -6.065
79 HG3 GLU 12 3HG GLU 12 13.424 1.177 -4.540
80 H SER 13 HN SER 13 9.108 1.551 -4.980
81 HA SER 13 HA SER 13 7.220 3.656 -5.543
82 HB2 SER 13 2HB SER 13 7.983 3.177 -7.811
83 HB3 SER 13 3HB SER 13 7.680 1.457 -7.574
84 HG SER 13 HG SER 13 5.810 1.982 -8.411
85 H LEU 14 HN LEU 14 6.429 2.934 -3.513
86 HA LEU 14 HA LEU 14 5.594 0.257 -3.057
87 HB2 LEU 14 2HB LEU 14 5.765 2.666 -1.585
88 HB3 LEU 14 3HB LEU 14 4.102 2.096 -1.465
89 HG LEU 14 HG LEU 14 6.614 0.713 -0.558
90 HD11 LEU 14 1HD1 LEU 14 4.558 2.269 0.694
91 HD12 LEU 14 2HD1 LEU 14 6.031 1.595 1.390
92 HD13 LEU 14 3HD1 LEU 14 4.556 0.630 1.346
93 HD21 LEU 14 1HD2 LEU 14 5.473 -1.065 -1.540
94 HD22 LEU 14 2HD2 LEU 14 3.891 -0.420 -1.099
95 HD23 LEU 14 3HD2 LEU 14 4.940 -1.109 0.142
96 H PHE 15 HN PHE 15 3.811 -0.761 -3.691
97 HA PHE 15 HA PHE 15 1.818 0.682 -5.218
98 HB2 PHE 15 2HB PHE 15 2.436 -2.206 -4.724
99 HB3 PHE 15 3HB PHE 15 0.848 -1.757 -5.334
100 HD1 PHE 15 1HD PHE 15 4.376 -0.756 -6.043
101 HD2 PHE 15 2HD PHE 15 0.619 -2.023 -7.592
102 HE1 PHE 15 1HE PHE 15 5.287 -0.656 -8.327
103 HE2 PHE 15 2HE PHE 15 1.523 -1.925 -9.877
104 HZ PHE 15 HZ PHE 15 3.860 -1.242 -10.247
105 HA PRO 16 HA PRO 16 -0.323 -0.067 -5.932
106 HB2 PRO 16 2HB PRO 16 -2.396 1.685 -5.948
107 HB3 PRO 16 3HB PRO 16 -2.595 -0.032 -5.585
108 HG2 PRO 16 2HG PRO 16 -2.403 2.289 -3.706
109 HG3 PRO 16 3HG PRO 16 -3.498 0.896 -3.654
110 HD2 PRO 16 2HD PRO 16 -1.281 1.063 -2.111
111 HD3 PRO 16 3HD PRO 16 -1.903 -0.483 -2.723
112 H CYS 17 HN CYS 17 -0.651 2.944 -4.039
113 HA CYS 17 HA CYS 17 1.558 4.202 -5.283
114 HB2 CYS 17 2HB CYS 17 0.503 5.794 -6.702
115 HB3 CYS 17 3HB CYS 17 -0.152 4.222 -7.152
116 H ARG 18 HN ARG 18 0.295 6.878 -5.158
117 HA ARG 18 HA ARG 18 0.457 7.195 -2.261
118 HB2 ARG 18 2HB ARG 18 1.662 8.981 -2.846
119 HB3 ARG 18 3HB ARG 18 1.232 8.769 -4.538
120 HG2 ARG 18 2HG ARG 18 0.598 10.971 -3.802
121 HG3 ARG 18 3HG ARG 18 -0.849 10.020 -4.145
122 HD2 ARG 18 2HD ARG 18 -1.589 10.340 -2.076
123 HD3 ARG 18 3HD ARG 18 -0.109 9.651 -1.411
124 HE ARG 18 HE ARG 18 0.295 12.337 -2.236
125 HH11 ARG 18 1HH1 ARG 18 -1.119 10.399 0.287
126 HH12 ARG 18 2HH1 ARG 18 -0.947 11.622 1.502
127 HH21 ARG 18 1HH2 ARG 18 0.527 13.955 -0.645
128 HH22 ARG 18 2HH2 ARG 18 -0.012 13.645 0.971
129 H VAL 19 HN VAL 19 -1.677 8.061 -4.962
130 HA VAL 19 HA VAL 19 -3.657 9.369 -3.479
131 HB VAL 19 HB VAL 19 -3.814 7.849 -6.077
132 HG11 VAL 19 1HG1 VAL 19 -6.025 7.732 -5.659
133 HG12 VAL 19 2HG1 VAL 19 -5.965 8.985 -4.418
134 HG13 VAL 19 3HG1 VAL 19 -6.001 9.433 -6.124
135 HG21 VAL 19 1HG2 VAL 19 -4.382 10.576 -6.398
136 HG22 VAL 19 2HG2 VAL 19 -2.998 10.494 -5.308
137 HG23 VAL 19 3HG2 VAL 19 -2.922 9.716 -6.889
138 H CYS 20 HN CYS 20 -4.705 6.475 -5.111
139 HA CYS 20 HA CYS 20 -6.615 5.667 -3.382
140 HB2 CYS 20 2HB CYS 20 -6.294 3.363 -4.224
141 HB3 CYS 20 3HB CYS 20 -6.257 4.559 -5.516
142 H THR 21 HN THR 21 -6.655 5.181 -1.300
143 HA THR 21 HA THR 21 -4.433 4.948 0.347
144 HB THR 21 HB THR 21 -6.506 3.449 1.564
145 HG1 THR 21 1HG THR 21 -7.639 5.835 0.621
146 HG21 THR 21 1HG2 THR 21 -6.686 5.400 3.012
147 HG22 THR 21 2HG2 THR 21 -5.813 6.377 1.831
148 HG23 THR 21 3HG2 THR 21 -4.993 5.055 2.660
149 H ARG 22 HN ARG 22 -4.634 2.767 1.943
150 HA ARG 22 HA ARG 22 -4.025 0.586 2.182
151 HB2 ARG 22 2HB ARG 22 -4.704 -0.130 -0.621
152 HB3 ARG 22 3HB ARG 22 -5.052 -0.986 0.875
153 HG2 ARG 22 2HG ARG 22 -6.616 1.162 1.221
154 HG3 ARG 22 3HG ARG 22 -6.615 1.070 -0.542
155 HD2 ARG 22 2HD ARG 22 -7.889 -0.771 -0.556
156 HD3 ARG 22 3HD ARG 22 -6.983 -1.516 0.759
157 HE ARG 22 HE ARG 22 -8.592 -0.799 2.209
158 HH11 ARG 22 1HH1 ARG 22 -8.824 1.057 -0.728
159 HH12 ARG 22 2HH1 ARG 22 -10.273 1.877 -0.249
160 HH21 ARG 22 1HH2 ARG 22 -10.500 0.273 2.850
161 HH22 ARG 22 2HH2 ARG 22 -11.225 1.431 1.786
162 H VAL 23 HN VAL 23 -2.436 -1.034 1.390
163 HA VAL 23 HA VAL 23 -0.580 -0.103 -0.646
164 HB VAL 23 HB VAL 23 0.363 1.036 1.216
165 HG11 VAL 23 1HG1 VAL 23 0.887 -0.045 3.337
166 HG12 VAL 23 2HG1 VAL 23 -0.839 -0.158 2.986
167 HG13 VAL 23 3HG1 VAL 23 0.204 -1.560 2.746
168 HG21 VAL 23 1HG2 VAL 23 1.709 -1.072 -0.099
169 HG22 VAL 23 2HG2 VAL 23 2.397 0.396 0.595
170 HG23 VAL 23 3HG2 VAL 23 2.261 -1.063 1.576
171 H PHE 24 HN PHE 24 0.084 -1.783 -1.804
172 HA PHE 24 HA PHE 24 0.590 -4.348 -0.538
173 HB2 PHE 24 2HB PHE 24 -0.839 -5.089 -2.821
174 HB3 PHE 24 3HB PHE 24 -1.366 -5.250 -1.150
175 HD1 PHE 24 1HD PHE 24 -3.030 -3.812 -0.230
176 HD2 PHE 24 2HD PHE 24 -1.567 -3.179 -4.176
177 HE1 PHE 24 1HE PHE 24 -4.884 -2.253 -0.663
178 HE2 PHE 24 2HE PHE 24 -3.418 -1.619 -4.616
179 HZ PHE 24 HZ PHE 24 -5.079 -1.154 -2.858
180 H HIS 25 HN HIS 25 2.589 -4.773 -1.192
181 HA HIS 25 HA HIS 25 3.980 -3.672 -3.277
182 HB2 HIS 25 2HB HIS 25 4.276 -6.437 -2.089
183 HB3 HIS 25 3HB HIS 25 5.461 -5.690 -3.157
184 HD2 HIS 25 2HD HIS 25 4.393 -2.904 -0.970
185 HE1 HIS 25 1HE HIS 25 7.497 -4.826 1.192
186 HE2 HIS 25 2HE HIS 25 6.004 -2.802 1.052
187 H ASP 26 HN ASP 26 4.023 -3.875 -5.425
188 HA ASP 26 HA ASP 26 2.033 -5.092 -6.890
189 HB2 ASP 26 2HB ASP 26 3.107 -4.272 -8.711
190 HB3 ASP 26 3HB ASP 26 4.102 -3.460 -7.506
191 H GLY 27 HN GLY 27 4.930 -6.488 -5.578
192 HA2 GLY 27 1HA GLY 27 4.728 -8.891 -7.199
193 HA3 GLY 27 2HA GLY 27 5.919 -8.572 -5.947
194 H CYS 28 HN CYS 28 4.169 -7.948 -3.833
195 HA CYS 28 HA CYS 28 3.688 -10.438 -2.727
196 HB2 CYS 28 2HB CYS 28 2.709 -7.680 -2.111
197 HB3 CYS 28 3HB CYS 28 2.001 -9.046 -1.256
198 H LEU 29 HN LEU 29 1.193 -8.183 -3.923
199 HA LEU 29 HA LEU 29 -1.038 -9.702 -3.696
200 HB2 LEU 29 2HB LEU 29 -0.352 -8.057 -6.126
201 HB3 LEU 29 3HB LEU 29 -1.969 -8.514 -5.594
202 HG LEU 29 HG LEU 29 -0.126 -6.756 -3.983
203 HD11 LEU 29 1HD1 LEU 29 -1.935 -6.129 -6.241
204 HD12 LEU 29 2HD1 LEU 29 -0.459 -5.324 -5.709
205 HD13 LEU 29 3HD1 LEU 29 -1.974 -5.047 -4.849
206 HD21 LEU 29 1HD2 LEU 29 -2.878 -6.299 -3.513
207 HD22 LEU 29 2HD2 LEU 29 -1.674 -6.966 -2.409
208 HD23 LEU 29 3HD2 LEU 29 -2.610 -8.041 -3.449
209 H ARG 30 HN ARG 30 1.500 -10.069 -6.092
210 HA ARG 30 HA ARG 30 0.038 -12.187 -7.456
211 HB2 ARG 30 2HB ARG 30 1.186 -11.420 -9.209
212 HB3 ARG 30 3HB ARG 30 2.119 -10.354 -8.168
213 HG2 ARG 30 2HG ARG 30 3.708 -12.152 -7.736
214 HG3 ARG 30 3HG ARG 30 2.767 -13.232 -8.766
215 HD2 ARG 30 2HD ARG 30 3.678 -12.401 -10.626
216 HD3 ARG 30 3HD ARG 30 3.415 -10.739 -10.099
217 HE ARG 30 HE ARG 30 5.590 -11.923 -8.710
218 HH11 ARG 30 1HH1 ARG 30 4.687 -10.531 -11.770
219 HH12 ARG 30 2HH1 ARG 30 6.296 -10.021 -12.160
220 HH21 ARG 30 1HH2 ARG 30 7.713 -11.255 -9.212
221 HH22 ARG 30 2HH2 ARG 30 8.016 -10.433 -10.704
222 H ARG 31 HN ARG 31 2.520 -11.775 -5.091
223 HA ARG 31 HA ARG 31 3.602 -14.432 -5.364
224 HB2 ARG 31 2HB ARG 31 4.474 -12.067 -4.198
225 HB3 ARG 31 3HB ARG 31 4.131 -13.109 -2.824
226 HG2 ARG 31 2HG ARG 31 5.768 -14.618 -3.380
227 HG3 ARG 31 3HG ARG 31 5.731 -14.188 -5.090
228 HD2 ARG 31 2HD ARG 31 6.514 -11.841 -3.963
229 HD3 ARG 31 3HD ARG 31 7.258 -13.013 -2.876
230 HE ARG 31 HE ARG 31 8.698 -13.623 -4.557
231 HH11 ARG 31 1HH1 ARG 31 6.130 -11.675 -5.870
232 HH12 ARG 31 2HH1 ARG 31 6.881 -11.498 -7.422
233 HH21 ARG 31 1HH2 ARG 31 9.697 -13.398 -6.596
234 HH22 ARG 31 2HH2 ARG 31 8.909 -12.479 -7.834
235 H MET 32 HN MET 32 0.839 -13.123 -3.969
236 HA MET 32 HA MET 32 0.602 -15.373 -2.084
237 HB2 MET 32 2HB MET 32 -0.891 -12.743 -2.082
238 HB3 MET 32 3HB MET 32 -1.076 -14.031 -0.899
239 HG2 MET 32 2HG MET 32 1.551 -12.669 -1.386
240 HG3 MET 32 3HG MET 32 0.360 -12.049 -0.245
241 HE1 MET 32 1HE MET 32 -0.603 -13.172 1.541
242 HE2 MET 32 2HE MET 32 -0.623 -14.935 1.532
243 HE3 MET 32 3HE MET 32 0.379 -14.070 2.699
244 H GLY 33 HN GLY 33 -0.528 -14.091 -5.009
245 HA2 GLY 33 1HA GLY 33 -1.941 -15.229 -6.501
246 HA3 GLY 33 2HA GLY 33 -2.558 -16.178 -5.157
247 H TYR 34 HN TYR 34 -2.411 -12.822 -4.582
248 HA TYR 34 HA TYR 34 -5.252 -12.645 -4.344
249 HB2 TYR 34 2HB TYR 34 -3.046 -10.602 -4.088
250 HB3 TYR 34 3HB TYR 34 -4.745 -10.207 -3.855
251 HD1 TYR 34 1HD TYR 34 -2.024 -10.494 -2.012
252 HD2 TYR 34 2HD TYR 34 -5.776 -12.470 -2.359
253 HE1 TYR 34 1HE TYR 34 -1.862 -11.203 0.338
254 HE2 TYR 34 2HE TYR 34 -5.624 -13.184 -0.011
255 HH TYR 34 HH TYR 34 -4.189 -12.060 2.165
256 H ILE 35 HN ILE 35 -3.002 -12.050 -6.861
257 HA ILE 35 HA ILE 35 -5.142 -11.285 -8.647
258 HB ILE 35 HB ILE 35 -3.857 -9.308 -9.526
259 HG12 ILE 35 2HG1 ILE 35 -2.407 -8.236 -7.650
260 HG13 ILE 35 3HG1 ILE 35 -2.285 -9.878 -7.030
261 HG21 ILE 35 1HG2 ILE 35 -5.880 -9.149 -8.087
262 HG22 ILE 35 2HG2 ILE 35 -4.820 -9.013 -6.687
263 HG23 ILE 35 3HG2 ILE 35 -4.791 -7.772 -7.939
264 HD11 ILE 35 1HD1 ILE 35 -0.764 -8.647 -9.061
265 HD12 ILE 35 2HD1 ILE 35 -0.654 -10.300 -8.454
266 HD13 ILE 35 3HD1 ILE 35 -1.717 -9.927 -9.810
267 H GLN 36 HN GLN 36 -4.591 -11.492 -10.862
268 HA GLN 36 HA GLN 36 -2.110 -13.015 -11.315
269 HB2 GLN 36 2HB GLN 36 -4.427 -14.132 -11.619
270 HB3 GLN 36 3HB GLN 36 -4.529 -13.175 -13.091
271 HG2 GLN 36 2HG GLN 36 -2.281 -14.205 -13.712
272 HG3 GLN 36 3HG GLN 36 -2.588 -15.353 -12.410
273 HE21 GLN 36 1HE2 GLN 36 -3.032 -17.194 -13.424
274 HE22 GLN 36 2HE2 GLN 36 -4.247 -17.402 -14.635
275 H GLY 37 HN GLY 37 -0.756 -11.362 -11.922
276 HA2 GLY 37 1HA GLY 37 -0.096 -10.591 -14.276
277 HA3 GLY 37 2HA GLY 37 -1.613 -9.707 -14.206
278 H ASP 38 HN ASP 38 0.246 -8.059 -14.703
279 HA ASP 38 HA ASP 38 0.590 -6.533 -12.279
280 HB2 ASP 38 2HB ASP 38 2.879 -7.878 -13.643
281 HB3 ASP 38 3HB ASP 38 3.130 -6.257 -12.999
282 H SER 39 HN SER 39 2.008 -4.480 -12.906
283 HA SER 39 HA SER 39 1.380 -3.625 -15.636
284 HB2 SER 39 2HB SER 39 0.776 -1.757 -13.365
285 HB3 SER 39 3HB SER 39 0.148 -1.746 -15.013
286 HG SER 39 HG SER 39 -0.575 -3.400 -12.848
287 H ALA 40 HN ALA 40 2.868 -2.288 -16.521
288 HA ALA 40 HA ALA 40 4.999 -1.270 -14.759
289 HB1 ALA 40 1HB ALA 40 6.611 -1.718 -16.570
290 HB2 ALA 40 2HB ALA 40 5.853 -3.187 -15.955
291 HB3 ALA 40 3HB ALA 40 5.327 -2.501 -17.491
292 H ALA 41 HN ALA 41 5.332 0.849 -14.898
293 HA ALA 41 HA ALA 41 5.173 2.300 -17.351
294 HB1 ALA 41 1HB ALA 41 3.193 3.380 -17.213
295 HB2 ALA 41 2HB ALA 41 2.728 1.936 -16.313
296 HB3 ALA 41 3HB ALA 41 3.200 3.399 -15.450
297 H GLU 42 HN GLU 42 7.027 3.373 -17.037
298 HA GLU 42 HA GLU 42 7.362 4.839 -14.502
299 HB2 GLU 42 2HB GLU 42 9.800 4.540 -16.049
300 HB3 GLU 42 3HB GLU 42 9.483 4.133 -14.367
301 HG2 GLU 42 2HG GLU 42 8.494 2.007 -15.075
302 HG3 GLU 42 3HG GLU 42 8.842 2.414 -16.754
303 H VAL 43 HN VAL 43 5.991 5.645 -17.026
304 HA VAL 43 HA VAL 43 7.371 7.372 -18.634
305 HB VAL 43 HB VAL 43 4.588 7.689 -17.513
306 HG11 VAL 43 1HG1 VAL 43 5.305 9.873 -18.177
307 HG12 VAL 43 2HG1 VAL 43 5.971 9.252 -19.688
308 HG13 VAL 43 3HG1 VAL 43 4.227 9.250 -19.425
309 HG21 VAL 43 1HG2 VAL 43 4.305 7.120 -20.136
310 HG22 VAL 43 2HG2 VAL 43 5.796 6.247 -19.782
311 HG23 VAL 43 3HG2 VAL 43 4.332 5.898 -18.863
312 H THR 44 HN THR 44 5.772 8.266 -15.573
313 HA THR 44 HA THR 44 7.884 10.136 -14.959
314 HB THR 44 HB THR 44 6.491 11.517 -16.425
315 HG1 THR 44 1HG THR 44 6.974 13.063 -15.075
316 HG21 THR 44 1HG2 THR 44 4.367 10.127 -15.339
317 HG22 THR 44 2HG2 THR 44 4.252 11.547 -16.377
318 HG23 THR 44 3HG2 THR 44 4.213 11.731 -14.624
319 H GLU 45 HN GLU 45 6.933 11.545 -12.939
320 HA GLU 45 HA GLU 45 6.331 11.496 -10.746
321 HB2 GLU 45 2HB GLU 45 4.541 9.168 -11.432
322 HB3 GLU 45 3HB GLU 45 4.371 10.296 -10.094
323 HG2 GLU 45 2HG GLU 45 4.334 11.933 -12.305
324 HG3 GLU 45 3HG GLU 45 3.451 10.504 -12.838
325 H MET 46 HN MET 46 5.942 9.675 -8.871
326 HA MET 46 HA MET 46 7.802 7.464 -9.224
327 HB2 MET 46 2HB MET 46 8.205 9.651 -7.179
328 HB3 MET 46 3HB MET 46 9.037 8.102 -7.138
329 HG2 MET 46 2HG MET 46 9.712 8.775 -9.587
330 HG3 MET 46 3HG MET 46 9.391 10.400 -8.985
331 HE1 MET 46 1HE MET 46 10.174 9.608 -5.830
332 HE2 MET 46 2HE MET 46 11.799 10.292 -5.770
333 HE3 MET 46 3HE MET 46 10.492 11.191 -6.542
334 H ALA 47 HN ALA 47 6.681 8.997 -6.241
335 HA ALA 47 HA ALA 47 4.659 6.941 -5.857
336 HB1 ALA 47 1HB ALA 47 7.235 6.663 -4.745
337 HB2 ALA 47 2HB ALA 47 6.144 7.078 -3.422
338 HB3 ALA 47 3HB ALA 47 5.805 5.677 -4.438
339 H HIS 48 HN HIS 48 6.405 9.636 -4.322
340 HA HIS 48 HA HIS 48 3.991 10.406 -2.879
341 HB2 HIS 48 2HB HIS 48 6.151 10.416 -1.690
342 HB3 HIS 48 3HB HIS 48 6.764 11.617 -2.824
343 HD1 HIS 48 1HD HIS 48 4.380 11.220 0.046
344 HD2 HIS 48 2HD HIS 48 5.948 14.231 -2.349
345 HE1 HIS 48 1HE HIS 48 3.716 13.377 1.157
346 H THR 49 HN THR 49 3.815 10.627 -5.672
347 HA THR 49 HA THR 49 3.798 13.553 -6.042
348 HB THR 49 HB THR 49 3.553 12.475 -8.581
349 HG1 THR 49 1HG THR 49 4.211 10.425 -7.735
350 HG21 THR 49 1HG2 THR 49 5.616 13.517 -9.012
351 HG22 THR 49 2HG2 THR 49 6.198 13.234 -7.371
352 HG23 THR 49 3HG2 THR 49 4.934 14.427 -7.664
353 H GLU 50 HN GLU 50 2.078 14.351 -7.510
354 HA GLU 50 HA GLU 50 -0.456 13.678 -6.617
355 HB2 GLU 50 2HB GLU 50 -1.317 15.119 -8.297
356 HB3 GLU 50 3HB GLU 50 0.235 15.789 -7.817
357 HG2 GLU 50 2HG GLU 50 0.921 15.743 -9.914
358 HG3 GLU 50 3HG GLU 50 0.682 13.997 -9.969
359 H THR 51 HN THR 51 -2.271 13.115 -8.333
360 HA THR 51 HA THR 51 -2.204 10.411 -8.805
361 HB THR 51 HB THR 51 -3.741 12.143 -10.702
362 HG1 THR 51 1HG THR 51 -5.245 12.545 -9.021
363 HG21 THR 51 1HG2 THR 51 -5.185 10.116 -9.230
364 HG22 THR 51 2HG2 THR 51 -3.758 9.440 -10.017
365 HG23 THR 51 3HG2 THR 51 -4.969 10.299 -10.970
366 H GLY 52 HN GLY 52 -1.646 9.073 -10.478
367 HA2 GLY 52 1HA GLY 52 -1.123 9.682 -13.104
368 HA3 GLY 52 2HA GLY 52 0.384 10.019 -12.265
369 H TRP 53 HN TRP 53 0.143 7.931 -10.317
370 HA TRP 53 HA TRP 53 1.148 5.757 -11.909
371 HB2 TRP 53 2HB TRP 53 1.845 6.607 -9.493
372 HB3 TRP 53 3HB TRP 53 0.619 5.447 -8.988
373 HD1 TRP 53 1HD TRP 53 1.149 2.860 -9.340
374 HE1 TRP 53 1HE TRP 53 3.339 1.590 -9.803
375 HE3 TRP 53 3HE TRP 53 4.094 6.801 -10.730
376 HZ2 TRP 53 2HZ TRP 53 5.968 2.181 -10.645
377 HZ3 TRP 53 3HZ TRP 53 6.435 6.363 -11.349
378 HH2 TRP 53 2HH TRP 53 7.350 4.100 -11.306
379 H SER 54 HN SER 54 -0.022 4.166 -12.735
380 HA SER 54 HA SER 54 -2.798 3.859 -12.049
381 HB2 SER 54 2HB SER 54 -1.909 1.696 -13.676
382 HB3 SER 54 3HB SER 54 -2.879 3.090 -14.150
383 HG SER 54 HG SER 54 -0.714 2.680 -15.204
384 H CYS 55 HN CYS 55 -3.793 2.064 -11.127
385 HA CYS 55 HA CYS 55 -2.184 -0.117 -10.107
386 HB2 CYS 55 2HB CYS 55 -3.826 1.130 -7.990
387 HB3 CYS 55 3HB CYS 55 -2.246 0.359 -7.886
388 H HIS 56 HN HIS 56 -3.607 -1.688 -8.853
389 HA HIS 56 HA HIS 56 -5.691 -2.574 -10.437
390 HB2 HIS 56 2HB HIS 56 -4.441 -3.401 -8.046
391 HB3 HIS 56 3HB HIS 56 -6.169 -3.358 -7.710
392 HD1 HIS 56 1HD HIS 56 -4.414 -4.439 -10.902
393 HD2 HIS 56 2HD HIS 56 -6.887 -5.964 -7.932
394 HE1 HIS 56 1HE HIS 56 -4.996 -6.771 -11.643
395 H TYR 57 HN TYR 57 -6.147 -1.219 -7.167
396 HA TYR 57 HA TYR 57 -8.901 -0.586 -7.784
397 HB2 TYR 57 2HB TYR 57 -7.487 0.239 -5.265
398 HB3 TYR 57 3HB TYR 57 -9.183 -0.171 -5.496
399 HD1 TYR 57 1HD TYR 57 -9.861 -2.543 -5.733
400 HD2 TYR 57 2HD TYR 57 -5.858 -1.445 -4.795
401 HE1 TYR 57 1HE TYR 57 -9.411 -4.842 -4.983
402 HE2 TYR 57 2HE TYR 57 -5.398 -3.741 -4.045
403 HH TYR 57 HH TYR 57 -6.285 -6.012 -4.413
404 H CYS 58 HN CYS 58 -6.549 0.820 -9.072
405 HA CYS 58 HA CYS 58 -6.685 3.528 -8.111
406 HB2 CYS 58 2HB CYS 58 -4.812 2.166 -9.510
407 HB3 CYS 58 3HB CYS 58 -5.625 3.008 -10.825
408 H ASP 59 HN ASP 59 -7.377 2.207 -11.350
409 HA ASP 59 HA ASP 59 -9.327 4.340 -11.761
410 HB2 ASP 59 2HB ASP 59 -7.736 2.557 -13.514
411 HB3 ASP 59 3HB ASP 59 -9.336 2.997 -14.104
412 H ASN 60 HN ASN 60 -11.168 3.785 -10.693
413 HA ASN 60 HA ASN 60 -12.229 1.131 -10.692
414 HB2 ASN 60 2HB ASN 60 -12.631 3.381 -9.159
415 HB3 ASN 60 3HB ASN 60 -14.121 3.291 -10.092
416 HD21 ASN 60 1HD2 ASN 60 -14.686 3.012 -7.659
417 HD22 ASN 60 2HD2 ASN 60 -14.867 1.373 -7.144
Start of MODEL 8
1 H1 GLU 1 HN GLU 1 2.929 4.767 4.903
2 HA GLU 1 HA GLU 1 0.880 2.784 4.243
3 HB2 GLU 1 2HB GLU 1 2.663 4.500 2.512
4 HB3 GLU 1 3HB GLU 1 1.580 3.272 1.873
5 HG2 GLU 1 2HG GLU 1 -0.179 4.616 2.017
6 HG3 GLU 1 3HG GLU 1 0.213 5.077 3.673
7 H MET 2 HN MET 2 1.888 0.983 5.237
8 HA MET 2 HA MET 2 4.303 0.027 3.847
9 HB2 MET 2 2HB MET 2 3.474 -1.122 6.471
10 HB3 MET 2 3HB MET 2 5.083 -0.943 5.786
11 HG2 MET 2 2HG MET 2 4.881 1.517 6.159
12 HG3 MET 2 3HG MET 2 3.378 1.201 7.022
13 HE1 MET 2 1HE MET 2 7.385 0.036 7.251
14 HE2 MET 2 2HE MET 2 6.890 1.714 7.027
15 HE3 MET 2 3HE MET 2 7.526 1.182 8.584
16 H CYS 3 HN CYS 3 4.149 -1.790 2.693
17 HA CYS 3 HA CYS 3 1.944 -2.971 1.779
18 HB2 CYS 3 2HB CYS 3 4.253 -3.592 1.112
19 HB3 CYS 3 3HB CYS 3 4.400 -4.543 2.588
20 H ASP 4 HN ASP 4 0.229 -3.978 2.578
21 HA ASP 4 HA ASP 4 0.006 -4.614 5.336
22 HB2 ASP 4 2HB ASP 4 -1.807 -4.023 3.463
23 HB3 ASP 4 3HB ASP 4 -1.919 -5.780 3.387
24 H VAL 5 HN VAL 5 1.614 -6.206 2.966
25 HA VAL 5 HA VAL 5 1.120 -8.847 4.184
26 HB VAL 5 HB VAL 5 2.145 -8.232 1.407
27 HG11 VAL 5 1HG1 VAL 5 1.749 -10.757 1.157
28 HG12 VAL 5 2HG1 VAL 5 3.195 -10.228 2.019
29 HG13 VAL 5 3HG1 VAL 5 1.791 -10.799 2.919
30 HG21 VAL 5 1HG2 VAL 5 -0.146 -7.803 1.344
31 HG22 VAL 5 2HG2 VAL 5 -0.025 -9.480 0.813
32 HG23 VAL 5 3HG2 VAL 5 -0.520 -9.113 2.465
33 H CYS 6 HN CYS 6 3.245 -6.346 4.168
34 HA CYS 6 HA CYS 6 5.418 -8.068 5.083
35 HB2 CYS 6 2HB CYS 6 5.811 -5.891 3.016
36 HB3 CYS 6 3HB CYS 6 7.092 -6.834 3.773
37 H GLU 7 HN GLU 7 4.320 -4.723 4.594
38 HA GLU 7 HA GLU 7 4.136 -3.029 6.143
39 HB2 GLU 7 2HB GLU 7 5.775 -4.566 8.129
40 HB3 GLU 7 3HB GLU 7 4.524 -3.367 8.420
41 HG2 GLU 7 2HG GLU 7 3.318 -5.509 7.035
42 HG3 GLU 7 3HG GLU 7 4.302 -6.200 8.324
43 H VAL 8 HN VAL 8 5.806 -2.594 4.255
44 HA VAL 8 HA VAL 8 8.033 -1.239 5.517
45 HB VAL 8 HB VAL 8 9.194 -2.487 3.250
46 HG11 VAL 8 1HG1 VAL 8 9.655 -2.665 6.217
47 HG12 VAL 8 2HG1 VAL 8 10.706 -3.448 5.035
48 HG13 VAL 8 3HG1 VAL 8 10.527 -1.693 5.033
49 HG21 VAL 8 1HG2 VAL 8 8.003 -4.473 5.184
50 HG22 VAL 8 2HG2 VAL 8 7.490 -4.238 3.513
51 HG23 VAL 8 3HG2 VAL 8 9.111 -4.840 3.862
52 H TRP 9 HN TRP 9 8.180 0.713 4.644
53 HA TRP 9 HA TRP 9 7.091 1.124 1.942
54 HB2 TRP 9 2HB TRP 9 5.884 2.684 3.037
55 HB3 TRP 9 3HB TRP 9 6.956 2.661 4.433
56 HD1 TRP 9 1HD TRP 9 8.666 4.611 4.662
57 HE1 TRP 9 1HE TRP 9 9.188 6.713 3.272
58 HE3 TRP 9 3HE TRP 9 5.934 3.518 0.482
59 HZ2 TRP 9 2HZ TRP 9 8.529 7.769 0.738
60 HZ3 TRP 9 3HZ TRP 9 5.932 5.127 -1.379
61 HH2 TRP 9 2HH TRP 9 7.203 7.208 -1.252
62 H THR 10 HN THR 10 8.145 2.875 0.666
63 HA THR 10 HA THR 10 10.848 3.602 1.263
64 HB THR 10 HB THR 10 11.584 2.451 -1.014
65 HG1 THR 10 1HG THR 10 9.225 1.242 -0.385
66 HG21 THR 10 1HG2 THR 10 11.529 0.518 1.225
67 HG22 THR 10 2HG2 THR 10 12.227 2.100 1.573
68 HG23 THR 10 3HG2 THR 10 12.890 1.111 0.272
69 H ALA 11 HN ALA 11 11.247 5.491 0.312
70 HA ALA 11 HA ALA 11 9.488 6.996 -1.096
71 HB1 ALA 11 1HB ALA 11 12.221 7.426 -2.035
72 HB2 ALA 11 2HB ALA 11 11.129 8.514 -1.178
73 HB3 ALA 11 3HB ALA 11 12.076 7.328 -0.281
74 H GLU 12 HN GLU 12 11.482 4.432 -2.344
75 HA GLU 12 HA GLU 12 11.766 4.798 -4.971
76 HB2 GLU 12 2HB GLU 12 11.022 2.440 -3.357
77 HB3 GLU 12 3HB GLU 12 10.712 2.300 -5.082
78 HG2 GLU 12 2HG GLU 12 12.871 1.404 -4.629
79 HG3 GLU 12 3HG GLU 12 13.074 2.920 -5.505
80 H SER 13 HN SER 13 8.863 2.964 -4.135
81 HA SER 13 HA SER 13 6.906 4.702 -5.029
82 HB2 SER 13 2HB SER 13 8.445 3.505 -7.199
83 HB3 SER 13 3HB SER 13 6.721 3.152 -7.324
84 HG SER 13 HG SER 13 6.635 5.595 -6.799
85 H LEU 14 HN LEU 14 6.381 3.334 -3.080
86 HA LEU 14 HA LEU 14 5.606 0.607 -3.520
87 HB2 LEU 14 2HB LEU 14 6.389 1.522 -1.336
88 HB3 LEU 14 3HB LEU 14 4.879 2.422 -1.227
89 HG LEU 14 HG LEU 14 4.086 -0.212 -1.628
90 HD11 LEU 14 1HD1 LEU 14 5.299 -1.596 -0.208
91 HD12 LEU 14 2HD1 LEU 14 6.118 -0.243 0.572
92 HD13 LEU 14 3HD1 LEU 14 6.549 -0.705 -1.075
93 HD21 LEU 14 1HD2 LEU 14 3.069 0.015 0.460
94 HD22 LEU 14 2HD2 LEU 14 3.218 1.674 -0.122
95 HD23 LEU 14 3HD2 LEU 14 4.354 1.054 1.078
96 H PHE 15 HN PHE 15 3.628 -0.219 -3.948
97 HA PHE 15 HA PHE 15 1.609 1.607 -4.914
98 HB2 PHE 15 2HB PHE 15 1.143 -1.338 -4.726
99 HB3 PHE 15 3HB PHE 15 0.662 -0.207 -5.986
100 HD1 PHE 15 1HD PHE 15 3.028 -2.666 -4.989
101 HD2 PHE 15 2HD PHE 15 2.506 0.744 -7.481
102 HE1 PHE 15 1HE PHE 15 4.959 -3.366 -6.344
103 HE2 PHE 15 2HE PHE 15 4.435 0.050 -8.841
104 HZ PHE 15 HZ PHE 15 5.663 -2.008 -8.274
105 HA PRO 16 HA PRO 16 -0.660 1.178 -5.450
106 HB2 PRO 16 2HB PRO 16 -2.528 3.072 -4.904
107 HB3 PRO 16 3HB PRO 16 -2.860 1.338 -4.808
108 HG2 PRO 16 2HG PRO 16 -2.215 3.269 -2.612
109 HG3 PRO 16 3HG PRO 16 -3.436 1.983 -2.649
110 HD2 PRO 16 2HD PRO 16 -1.049 1.692 -1.403
111 HD3 PRO 16 3HD PRO 16 -1.895 0.335 -2.174
112 H CYS 17 HN CYS 17 -1.106 3.478 -6.530
113 HA CYS 17 HA CYS 17 1.131 4.830 -6.950
114 HB2 CYS 17 2HB CYS 17 -1.350 6.461 -6.479
115 HB3 CYS 17 3HB CYS 17 -0.107 6.678 -7.707
116 H ARG 18 HN ARG 18 -1.142 6.258 -4.608
117 HA ARG 18 HA ARG 18 0.915 6.601 -2.628
118 HB2 ARG 18 2HB ARG 18 1.654 8.585 -3.364
119 HB3 ARG 18 3HB ARG 18 0.344 8.722 -4.531
120 HG2 ARG 18 2HG ARG 18 0.228 10.581 -3.039
121 HG3 ARG 18 3HG ARG 18 -1.131 9.510 -2.694
122 HD2 ARG 18 2HD ARG 18 -0.461 9.739 -0.561
123 HD3 ARG 18 3HD ARG 18 0.735 8.520 -1.003
124 HE ARG 18 HE ARG 18 2.325 10.097 -0.622
125 HH11 ARG 18 1HH1 ARG 18 -0.614 11.721 -1.540
126 HH12 ARG 18 2HH1 ARG 18 0.055 13.309 -1.368
127 HH21 ARG 18 1HH2 ARG 18 3.219 12.183 -0.393
128 HH22 ARG 18 2HH2 ARG 18 2.236 13.571 -0.717
129 H VAL 19 HN VAL 19 -2.320 7.413 -3.772
130 HA VAL 19 HA VAL 19 -3.349 6.924 -1.083
131 HB VAL 19 HB VAL 19 -4.866 8.912 -1.273
132 HG11 VAL 19 1HG1 VAL 19 -3.450 9.990 0.069
133 HG12 VAL 19 2HG1 VAL 19 -2.281 8.724 -0.309
134 HG13 VAL 19 3HG1 VAL 19 -2.281 10.229 -1.228
135 HG21 VAL 19 1HG2 VAL 19 -4.828 10.304 -3.020
136 HG22 VAL 19 2HG2 VAL 19 -3.067 10.368 -3.041
137 HG23 VAL 19 3HG2 VAL 19 -3.910 9.048 -3.851
138 H CYS 20 HN CYS 20 -4.359 5.065 -1.754
139 HA CYS 20 HA CYS 20 -6.769 5.450 -3.336
140 HB2 CYS 20 2HB CYS 20 -5.042 3.106 -4.046
141 HB3 CYS 20 3HB CYS 20 -6.321 3.869 -4.985
142 H THR 21 HN THR 21 -5.649 4.604 -0.558
143 HA THR 21 HA THR 21 -6.555 3.407 1.172
144 HB THR 21 HB THR 21 -8.384 1.729 -0.398
145 HG1 THR 21 1HG THR 21 -9.156 3.292 -1.583
146 HG21 THR 21 1HG2 THR 21 -8.417 3.389 2.077
147 HG22 THR 21 2HG2 THR 21 -8.895 1.708 1.839
148 HG23 THR 21 3HG2 THR 21 -9.955 3.010 1.300
149 H ARG 22 HN ARG 22 -5.308 1.881 2.011
150 HA ARG 22 HA ARG 22 -4.399 -0.200 2.355
151 HB2 ARG 22 2HB ARG 22 -5.197 -1.094 -0.393
152 HB3 ARG 22 3HB ARG 22 -5.013 -2.048 1.073
153 HG2 ARG 22 2HG ARG 22 -7.063 -0.125 1.503
154 HG3 ARG 22 3HG ARG 22 -7.370 -0.949 -0.027
155 HD2 ARG 22 2HD ARG 22 -8.386 -2.430 1.362
156 HD3 ARG 22 3HD ARG 22 -6.747 -3.071 1.453
157 HE ARG 22 HE ARG 22 -6.736 -2.525 3.661
158 HH11 ARG 22 1HH1 ARG 22 -9.103 -0.544 2.053
159 HH12 ARG 22 2HH1 ARG 22 -9.661 0.204 3.512
160 HH21 ARG 22 1HH2 ARG 22 -7.462 -1.548 5.591
161 HH22 ARG 22 2HH2 ARG 22 -8.726 -0.367 5.524
162 H VAL 23 HN VAL 23 -2.398 -1.159 1.881
163 HA VAL 23 HA VAL 23 -0.942 -0.062 -0.423
164 HB VAL 23 HB VAL 23 1.003 0.423 0.878
165 HG11 VAL 23 1HG1 VAL 23 -0.068 2.022 2.651
166 HG12 VAL 23 2HG1 VAL 23 -0.295 2.321 0.926
167 HG13 VAL 23 3HG1 VAL 23 -1.575 1.552 1.865
168 HG21 VAL 23 1HG2 VAL 23 1.024 -1.335 2.471
169 HG22 VAL 23 2HG2 VAL 23 0.933 0.169 3.386
170 HG23 VAL 23 3HG2 VAL 23 -0.513 -0.817 3.165
171 H PHE 24 HN PHE 24 0.088 -1.572 -1.556
172 HA PHE 24 HA PHE 24 1.076 -3.976 -0.231
173 HB2 PHE 24 2HB PHE 24 0.025 -5.093 -2.489
174 HB3 PHE 24 3HB PHE 24 -0.745 -5.129 -0.906
175 HD1 PHE 24 1HD PHE 24 -2.920 -4.416 -0.737
176 HD2 PHE 24 2HD PHE 24 -0.501 -2.933 -3.910
177 HE1 PHE 24 1HE PHE 24 -4.863 -3.218 -1.656
178 HE2 PHE 24 2HE PHE 24 -2.440 -1.732 -4.833
179 HZ PHE 24 HZ PHE 24 -4.624 -1.873 -3.705
180 H HIS 25 HN HIS 25 2.344 -5.353 -1.837
181 HA HIS 25 HA HIS 25 4.021 -3.548 -3.413
182 HB2 HIS 25 2HB HIS 25 4.430 -6.241 -2.168
183 HB3 HIS 25 3HB HIS 25 5.456 -5.746 -3.511
184 HD2 HIS 25 2HD HIS 25 5.941 -2.622 -2.555
185 HE1 HIS 25 1HE HIS 25 7.480 -4.424 0.964
186 HE2 HIS 25 2HE HIS 25 7.309 -2.303 -0.384
187 H ASP 26 HN ASP 26 5.148 -5.097 -5.270
188 HA ASP 26 HA ASP 26 2.924 -5.627 -7.085
189 HB2 ASP 26 2HB ASP 26 4.416 -4.291 -8.222
190 HB3 ASP 26 3HB ASP 26 5.818 -4.989 -7.418
191 H GLY 27 HN GLY 27 5.388 -7.281 -5.309
192 HA2 GLY 27 1HA GLY 27 5.069 -9.733 -6.863
193 HA3 GLY 27 2HA GLY 27 6.203 -9.477 -5.545
194 H CYS 28 HN CYS 28 4.395 -8.517 -3.608
195 HA CYS 28 HA CYS 28 3.475 -10.928 -2.505
196 HB2 CYS 28 2HB CYS 28 2.683 -8.089 -1.824
197 HB3 CYS 28 3HB CYS 28 2.355 -9.501 -0.823
198 H LEU 29 HN LEU 29 1.672 -8.254 -4.007
199 HA LEU 29 HA LEU 29 -0.896 -9.230 -3.728
200 HB2 LEU 29 2HB LEU 29 0.285 -7.697 -6.038
201 HB3 LEU 29 3HB LEU 29 -1.440 -7.922 -5.760
202 HG LEU 29 HG LEU 29 0.423 -6.473 -3.880
203 HD11 LEU 29 1HD1 LEU 29 0.043 -4.550 -4.957
204 HD12 LEU 29 2HD1 LEU 29 -1.639 -4.955 -5.294
205 HD13 LEU 29 3HD1 LEU 29 -0.359 -5.578 -6.333
206 HD21 LEU 29 1HD2 LEU 29 -1.247 -6.652 -2.430
207 HD22 LEU 29 2HD2 LEU 29 -2.252 -7.478 -3.621
208 HD23 LEU 29 3HD2 LEU 29 -2.256 -5.716 -3.533
209 H ARG 30 HN ARG 30 1.649 -10.372 -5.757
210 HA ARG 30 HA ARG 30 -0.172 -11.956 -7.399
211 HB2 ARG 30 2HB ARG 30 1.412 -11.717 -8.950
212 HB3 ARG 30 3HB ARG 30 2.391 -10.815 -7.801
213 HG2 ARG 30 2HG ARG 30 3.281 -13.004 -6.977
214 HG3 ARG 30 3HG ARG 30 2.443 -13.775 -8.326
215 HD2 ARG 30 2HD ARG 30 3.949 -13.052 -9.832
216 HD3 ARG 30 3HD ARG 30 4.097 -11.469 -9.068
217 HE ARG 30 HE ARG 30 5.890 -12.248 -7.860
218 HH11 ARG 30 1HH1 ARG 30 4.256 -14.917 -9.383
219 HH12 ARG 30 2HH1 ARG 30 5.496 -16.065 -9.000
220 HH21 ARG 30 1HH2 ARG 30 7.531 -13.749 -7.350
221 HH22 ARG 30 2HH2 ARG 30 7.358 -15.399 -7.843
222 H ARG 31 HN ARG 31 2.203 -12.314 -4.846
223 HA ARG 31 HA ARG 31 2.438 -15.131 -4.955
224 HB2 ARG 31 2HB ARG 31 3.552 -13.043 -3.443
225 HB3 ARG 31 3HB ARG 31 2.764 -14.099 -2.278
226 HG2 ARG 31 2HG ARG 31 4.000 -16.015 -3.312
227 HG3 ARG 31 3HG ARG 31 4.903 -14.830 -4.259
228 HD2 ARG 31 2HD ARG 31 5.543 -13.740 -2.085
229 HD3 ARG 31 3HD ARG 31 4.832 -15.130 -1.263
230 HE ARG 31 HE ARG 31 6.665 -16.374 -1.847
231 HH11 ARG 31 1HH1 ARG 31 6.622 -13.441 -3.720
232 HH12 ARG 31 2HH1 ARG 31 8.203 -13.687 -4.384
233 HH21 ARG 31 1HH2 ARG 31 8.748 -16.710 -2.714
234 HH22 ARG 31 2HH2 ARG 31 9.412 -15.548 -3.811
235 H MET 32 HN MET 32 0.234 -12.959 -3.276
236 HA MET 32 HA MET 32 -1.085 -15.199 -1.954
237 HB2 MET 32 2HB MET 32 -1.811 -12.269 -1.836
238 HB3 MET 32 3HB MET 32 -2.349 -13.543 -0.747
239 HG2 MET 32 2HG MET 32 0.566 -13.040 -0.993
240 HG3 MET 32 3HG MET 32 -0.415 -11.883 -0.097
241 HE1 MET 32 1HE MET 32 -2.136 -14.198 2.515
242 HE2 MET 32 2HE MET 32 -1.432 -12.582 2.558
243 HE3 MET 32 3HE MET 32 -2.484 -13.051 1.221
244 H GLY 33 HN GLY 33 -1.142 -14.292 -4.964
245 HA2 GLY 33 1HA GLY 33 -2.660 -14.381 -6.683
246 HA3 GLY 33 2HA GLY 33 -3.622 -15.385 -5.608
247 H TYR 34 HN TYR 34 -2.712 -12.000 -5.154
248 HA TYR 34 HA TYR 34 -5.493 -11.321 -4.716
249 HB2 TYR 34 2HB TYR 34 -2.869 -10.002 -4.246
250 HB3 TYR 34 3HB TYR 34 -4.266 -8.956 -4.469
251 HD1 TYR 34 1HD TYR 34 -6.430 -10.204 -3.120
252 HD2 TYR 34 2HD TYR 34 -2.323 -10.153 -2.014
253 HE1 TYR 34 1HE TYR 34 -7.066 -10.545 -0.769
254 HE2 TYR 34 2HE TYR 34 -2.946 -10.494 0.340
255 HH TYR 34 HH TYR 34 -5.512 -11.669 1.412
256 H ILE 35 HN ILE 35 -2.990 -10.752 -7.108
257 HA ILE 35 HA ILE 35 -5.033 -9.699 -8.922
258 HB ILE 35 HB ILE 35 -3.452 -7.971 -9.755
259 HG12 ILE 35 2HG1 ILE 35 -1.693 -7.347 -7.891
260 HG13 ILE 35 3HG1 ILE 35 -1.820 -9.057 -7.495
261 HG21 ILE 35 1HG2 ILE 35 -3.623 -6.997 -7.071
262 HG22 ILE 35 2HG2 ILE 35 -4.598 -6.567 -8.475
263 HG23 ILE 35 3HG2 ILE 35 -5.072 -7.926 -7.456
264 HD11 ILE 35 1HD1 ILE 35 -1.142 -7.999 -10.227
265 HD12 ILE 35 2HD1 ILE 35 0.045 -8.506 -9.024
266 HD13 ILE 35 3HD1 ILE 35 -1.094 -9.677 -9.688
267 H GLN 36 HN GLN 36 -3.692 -9.249 -11.153
268 HA GLN 36 HA GLN 36 -2.782 -11.887 -11.913
269 HB2 GLN 36 2HB GLN 36 -4.154 -9.855 -13.210
270 HB3 GLN 36 3HB GLN 36 -2.564 -9.824 -13.959
271 HG2 GLN 36 2HG GLN 36 -3.939 -11.258 -15.251
272 HG3 GLN 36 3HG GLN 36 -2.790 -12.270 -14.375
273 HE21 GLN 36 1HE2 GLN 36 -6.016 -10.864 -13.899
274 HE22 GLN 36 2HE2 GLN 36 -6.724 -12.287 -13.224
275 H GLY 37 HN GLY 37 -1.460 -8.579 -12.090
276 HA2 GLY 37 1HA GLY 37 0.743 -7.923 -11.691
277 HA3 GLY 37 2HA GLY 37 1.199 -9.616 -11.570
278 H ASP 38 HN ASP 38 2.676 -7.652 -12.965
279 HA ASP 38 HA ASP 38 3.821 -7.423 -14.919
280 HB2 ASP 38 2HB ASP 38 3.365 -10.069 -14.778
281 HB3 ASP 38 3HB ASP 38 2.462 -9.704 -16.246
282 H SER 39 HN SER 39 3.284 -5.724 -16.105
283 HA SER 39 HA SER 39 1.352 -5.886 -18.185
284 HB2 SER 39 2HB SER 39 0.434 -4.946 -15.614
285 HB3 SER 39 3HB SER 39 0.324 -3.655 -16.810
286 HG SER 39 HG SER 39 -1.380 -5.556 -16.494
287 H ALA 40 HN ALA 40 4.158 -5.132 -17.628
288 HA ALA 40 HA ALA 40 5.699 -3.631 -18.369
289 HB1 ALA 40 1HB ALA 40 5.265 -3.132 -20.485
290 HB2 ALA 40 2HB ALA 40 3.572 -3.552 -20.225
291 HB3 ALA 40 3HB ALA 40 4.116 -1.892 -19.980
292 H ALA 41 HN ALA 41 6.579 -1.757 -17.634
293 HA ALA 41 HA ALA 41 5.367 0.643 -17.088
294 HB1 ALA 41 1HB ALA 41 5.070 -1.312 -14.844
295 HB2 ALA 41 2HB ALA 41 5.236 0.412 -14.510
296 HB3 ALA 41 3HB ALA 41 3.895 -0.170 -15.497
297 H GLU 42 HN GLU 42 6.992 -0.641 -14.322
298 HA GLU 42 HA GLU 42 8.984 -0.066 -13.365
299 HB2 GLU 42 2HB GLU 42 10.214 -0.400 -16.085
300 HB3 GLU 42 3HB GLU 42 10.880 -0.829 -14.516
301 HG2 GLU 42 2HG GLU 42 8.585 -2.358 -14.706
302 HG3 GLU 42 3HG GLU 42 9.261 -2.391 -16.332
303 H VAL 43 HN VAL 43 7.461 2.150 -14.286
304 HA VAL 43 HA VAL 43 9.637 4.047 -14.872
305 HB VAL 43 HB VAL 43 8.443 4.057 -16.885
306 HG11 VAL 43 1HG1 VAL 43 6.034 3.717 -15.152
307 HG12 VAL 43 2HG1 VAL 43 5.860 4.399 -16.769
308 HG13 VAL 43 3HG1 VAL 43 6.545 2.787 -16.560
309 HG21 VAL 43 1HG2 VAL 43 6.824 6.222 -15.717
310 HG22 VAL 43 2HG2 VAL 43 8.555 6.303 -15.385
311 HG23 VAL 43 3HG2 VAL 43 7.978 6.258 -17.051
312 H THR 44 HN THR 44 9.821 4.426 -12.616
313 HA THR 44 HA THR 44 8.361 6.613 -11.657
314 HB THR 44 HB THR 44 6.594 4.810 -11.414
315 HG1 THR 44 1HG THR 44 7.317 6.772 -9.775
316 HG21 THR 44 1HG2 THR 44 8.088 3.006 -10.668
317 HG22 THR 44 2HG2 THR 44 6.792 3.299 -9.508
318 HG23 THR 44 3HG2 THR 44 8.418 3.901 -9.185
319 H GLU 45 HN GLU 45 9.398 7.550 -9.959
320 HA GLU 45 HA GLU 45 11.424 5.951 -8.546
321 HB2 GLU 45 2HB GLU 45 11.927 8.034 -10.393
322 HB3 GLU 45 3HB GLU 45 12.288 8.676 -8.796
323 HG2 GLU 45 2HG GLU 45 13.800 6.817 -8.374
324 HG3 GLU 45 3HG GLU 45 13.424 6.144 -9.958
325 H MET 46 HN MET 46 8.718 7.809 -8.304
326 HA MET 46 HA MET 46 9.381 8.604 -5.546
327 HB2 MET 46 2HB MET 46 7.934 10.086 -7.698
328 HB3 MET 46 3HB MET 46 7.437 10.329 -6.028
329 HG2 MET 46 2HG MET 46 10.325 10.538 -6.669
330 HG3 MET 46 3HG MET 46 9.258 11.844 -7.180
331 HE1 MET 46 1HE MET 46 10.916 13.344 -5.721
332 HE2 MET 46 2HE MET 46 9.249 13.922 -5.698
333 HE3 MET 46 3HE MET 46 10.195 13.895 -4.209
334 H ALA 47 HN ALA 47 6.225 8.991 -6.960
335 HA ALA 47 HA ALA 47 4.934 6.650 -6.558
336 HB1 ALA 47 1HB ALA 47 5.224 6.136 -4.404
337 HB2 ALA 47 2HB ALA 47 5.788 7.758 -4.001
338 HB3 ALA 47 3HB ALA 47 4.059 7.418 -4.072
339 H HIS 48 HN HIS 48 4.124 8.232 -8.261
340 HA HIS 48 HA HIS 48 2.181 9.191 -9.036
341 HB2 HIS 48 2HB HIS 48 1.295 8.244 -6.676
342 HB3 HIS 48 3HB HIS 48 1.172 9.972 -6.358
343 HD1 HIS 48 1HD HIS 48 -1.269 10.411 -6.553
344 HD2 HIS 48 2HD HIS 48 0.172 8.136 -9.717
345 HE1 HIS 48 1HE HIS 48 -3.195 10.190 -8.155
346 H THR 49 HN THR 49 4.369 10.609 -9.173
347 HA THR 49 HA THR 49 3.464 13.323 -8.697
348 HB THR 49 HB THR 49 5.853 13.869 -7.806
349 HG1 THR 49 1HG THR 49 5.560 11.139 -7.028
350 HG21 THR 49 1HG2 THR 49 4.831 14.243 -5.842
351 HG22 THR 49 2HG2 THR 49 4.436 12.537 -5.623
352 HG23 THR 49 3HG2 THR 49 3.399 13.564 -6.612
353 H GLU 50 HN GLU 50 3.629 14.174 -10.663
354 HA GLU 50 HA GLU 50 4.407 14.715 -12.734
355 HB2 GLU 50 2HB GLU 50 6.156 15.733 -11.194
356 HB3 GLU 50 3HB GLU 50 7.159 14.335 -11.559
357 HG2 GLU 50 2HG GLU 50 6.196 15.473 -13.996
358 HG3 GLU 50 3HG GLU 50 6.930 16.732 -13.004
359 H THR 51 HN THR 51 4.112 11.822 -11.946
360 HA THR 51 HA THR 51 5.810 10.675 -14.067
361 HB THR 51 HB THR 51 5.545 8.483 -12.864
362 HG1 THR 51 1HG THR 51 4.858 8.582 -10.696
363 HG21 THR 51 1HG2 THR 51 7.638 9.134 -12.367
364 HG22 THR 51 2HG2 THR 51 6.976 9.543 -10.784
365 HG23 THR 51 3HG2 THR 51 7.140 10.789 -12.020
366 H GLY 52 HN GLY 52 3.219 9.008 -12.398
367 HA2 GLY 52 1HA GLY 52 0.909 9.173 -13.409
368 HA3 GLY 52 2HA GLY 52 1.728 8.947 -14.947
369 H TRP 53 HN TRP 53 1.695 7.372 -11.745
370 HA TRP 53 HA TRP 53 1.771 4.777 -13.113
371 HB2 TRP 53 2HB TRP 53 3.130 5.770 -10.863
372 HB3 TRP 53 3HB TRP 53 1.967 4.605 -10.235
373 HD1 TRP 53 1HD TRP 53 4.984 4.821 -12.614
374 HE1 TRP 53 1HE TRP 53 5.970 2.460 -12.886
375 HE3 TRP 53 3HE TRP 53 1.443 2.161 -10.060
376 HZ2 TRP 53 2HZ TRP 53 5.332 -0.182 -12.120
377 HZ3 TRP 53 3HZ TRP 53 1.704 -0.278 -9.876
378 HH2 TRP 53 2HH TRP 53 3.610 -1.423 -10.886
379 H SER 54 HN SER 54 -0.006 3.583 -13.244
380 HA SER 54 HA SER 54 -2.286 4.269 -11.520
381 HB2 SER 54 2HB SER 54 -3.387 2.684 -13.411
382 HB3 SER 54 3HB SER 54 -3.218 4.430 -13.593
383 HG SER 54 HG SER 54 -2.172 2.538 -15.106
384 H CYS 55 HN CYS 55 -2.212 3.019 -9.750
385 HA CYS 55 HA CYS 55 -1.168 0.385 -9.685
386 HB2 CYS 55 2HB CYS 55 -1.810 0.339 -7.412
387 HB3 CYS 55 3HB CYS 55 -1.406 2.021 -7.737
388 H HIS 56 HN HIS 56 -2.465 -1.520 -8.934
389 HA HIS 56 HA HIS 56 -4.277 -2.359 -10.796
390 HB2 HIS 56 2HB HIS 56 -3.910 -3.165 -7.919
391 HB3 HIS 56 3HB HIS 56 -5.097 -3.958 -8.951
392 HD1 HIS 56 1HD HIS 56 -3.623 -4.413 -11.506
393 HD2 HIS 56 2HD HIS 56 -1.815 -4.862 -7.792
394 HE1 HIS 56 1HE HIS 56 -1.662 -5.938 -11.894
395 H TYR 57 HN TYR 57 -5.229 -1.377 -7.499
396 HA TYR 57 HA TYR 57 -7.979 -1.192 -8.126
397 HB2 TYR 57 2HB TYR 57 -6.338 -0.113 -5.836
398 HB3 TYR 57 3HB TYR 57 -8.082 0.102 -5.936
399 HD1 TYR 57 1HD TYR 57 -9.491 -1.519 -5.048
400 HD2 TYR 57 2HD TYR 57 -5.471 -2.560 -5.975
401 HE1 TYR 57 1HE TYR 57 -9.827 -3.721 -4.005
402 HE2 TYR 57 2HE TYR 57 -5.797 -4.765 -4.936
403 HH TYR 57 HH TYR 57 -8.934 -5.703 -3.559
404 H CYS 58 HN CYS 58 -6.317 1.593 -6.772
405 HA CYS 58 HA CYS 58 -6.270 3.793 -7.352
406 HB2 CYS 58 2HB CYS 58 -6.205 2.378 -9.923
407 HB3 CYS 58 3HB CYS 58 -6.843 4.015 -10.028
408 H ASP 59 HN ASP 59 -8.646 2.706 -9.754
409 HA ASP 59 HA ASP 59 -10.972 3.290 -8.356
410 HB2 ASP 59 2HB ASP 59 -11.539 5.508 -9.492
411 HB3 ASP 59 3HB ASP 59 -10.386 5.571 -8.161
412 H ASN 60 HN ASN 60 -10.242 1.353 -10.138
413 HA ASN 60 HA ASN 60 -12.390 1.353 -11.955
414 HB2 ASN 60 2HB ASN 60 -10.737 1.183 -14.019
415 HB3 ASN 60 3HB ASN 60 -11.368 2.738 -13.481
416 HD21 ASN 60 1HD2 ASN 60 -9.687 3.972 -14.164
417 HD22 ASN 60 2HD2 ASN 60 -8.095 3.876 -13.501
Start of MODEL 9
1 H1 GLU 1 HN GLU 1 3.327 4.936 4.411
2 HA GLU 1 HA GLU 1 1.656 3.304 2.623
3 HB2 GLU 1 2HB GLU 1 4.415 3.453 1.805
4 HB3 GLU 1 3HB GLU 1 2.970 3.956 0.939
5 HG2 GLU 1 2HG GLU 1 3.034 6.078 2.285
6 HG3 GLU 1 3HG GLU 1 4.624 5.572 2.855
7 H MET 2 HN MET 2 1.430 1.578 4.106
8 HA MET 2 HA MET 2 3.889 -0.004 4.471
9 HB2 MET 2 2HB MET 2 1.570 -0.407 6.297
10 HB3 MET 2 3HB MET 2 3.289 -0.602 6.609
11 HG2 MET 2 2HG MET 2 3.029 2.098 6.132
12 HG3 MET 2 3HG MET 2 1.566 1.691 7.026
13 HE1 MET 2 1HE MET 2 5.296 1.033 6.800
14 HE2 MET 2 2HE MET 2 5.382 2.630 7.542
15 HE3 MET 2 3HE MET 2 5.893 1.205 8.451
16 H CYS 3 HN CYS 3 3.828 -1.579 3.000
17 HA CYS 3 HA CYS 3 1.803 -2.577 1.534
18 HB2 CYS 3 2HB CYS 3 4.191 -3.270 1.359
19 HB3 CYS 3 3HB CYS 3 3.958 -4.309 2.761
20 H ASP 4 HN ASP 4 0.121 -3.975 1.725
21 HA ASP 4 HA ASP 4 -0.903 -4.471 4.348
22 HB2 ASP 4 2HB ASP 4 -2.207 -4.014 2.153
23 HB3 ASP 4 3HB ASP 4 -1.994 -5.736 1.849
24 H VAL 5 HN VAL 5 1.489 -5.973 2.748
25 HA VAL 5 HA VAL 5 0.877 -8.574 3.991
26 HB VAL 5 HB VAL 5 2.322 -8.094 1.383
27 HG11 VAL 5 1HG1 VAL 5 1.940 -10.608 2.996
28 HG12 VAL 5 2HG1 VAL 5 2.403 -10.604 1.293
29 HG13 VAL 5 3HG1 VAL 5 3.459 -9.863 2.498
30 HG21 VAL 5 1HG2 VAL 5 0.497 -9.450 0.431
31 HG22 VAL 5 2HG2 VAL 5 -0.277 -9.492 2.015
32 HG23 VAL 5 3HG2 VAL 5 -0.089 -7.958 1.166
33 H CYS 6 HN CYS 6 2.967 -5.933 3.777
34 HA CYS 6 HA CYS 6 5.000 -7.383 5.330
35 HB2 CYS 6 2HB CYS 6 5.646 -5.239 3.300
36 HB3 CYS 6 3HB CYS 6 6.787 -6.229 4.206
37 H GLU 7 HN GLU 7 3.404 -4.344 4.579
38 HA GLU 7 HA GLU 7 3.097 -2.433 5.774
39 HB2 GLU 7 2HB GLU 7 3.889 -3.690 8.341
40 HB3 GLU 7 3HB GLU 7 2.483 -2.707 7.955
41 HG2 GLU 7 2HG GLU 7 1.576 -4.683 6.701
42 HG3 GLU 7 3HG GLU 7 2.896 -5.627 7.387
43 H VAL 8 HN VAL 8 5.488 -2.475 4.567
44 HA VAL 8 HA VAL 8 7.127 -0.918 6.394
45 HB VAL 8 HB VAL 8 8.902 -2.621 4.902
46 HG11 VAL 8 1HG1 VAL 8 9.751 -1.447 6.740
47 HG12 VAL 8 2HG1 VAL 8 8.435 -1.966 7.795
48 HG13 VAL 8 3HG1 VAL 8 9.671 -3.120 7.292
49 HG21 VAL 8 1HG2 VAL 8 6.941 -4.185 5.124
50 HG22 VAL 8 2HG2 VAL 8 8.448 -4.756 5.841
51 HG23 VAL 8 3HG2 VAL 8 7.172 -4.105 6.871
52 H TRP 9 HN TRP 9 7.183 0.932 5.283
53 HA TRP 9 HA TRP 9 7.104 1.085 2.446
54 HB2 TRP 9 2HB TRP 9 6.353 3.090 3.145
55 HB3 TRP 9 3HB TRP 9 7.174 2.950 4.697
56 HD1 TRP 9 1HD TRP 9 9.741 3.847 4.802
57 HE1 TRP 9 1HE TRP 9 10.944 5.640 3.401
58 HE3 TRP 9 3HE TRP 9 6.493 4.116 0.862
59 HZ2 TRP 9 2HZ TRP 9 10.566 6.990 0.951
60 HZ3 TRP 9 3HZ TRP 9 6.986 5.684 -0.968
61 HH2 TRP 9 2HH TRP 9 8.981 7.091 -0.922
62 H THR 10 HN THR 10 8.735 1.890 1.027
63 HA THR 10 HA THR 10 11.474 1.331 1.967
64 HB THR 10 HB THR 10 11.785 1.010 -0.661
65 HG1 THR 10 1HG THR 10 9.066 0.309 -0.154
66 HG21 THR 10 1HG2 THR 10 12.481 -0.789 0.572
67 HG22 THR 10 2HG2 THR 10 11.036 -1.487 -0.160
68 HG23 THR 10 3HG2 THR 10 10.982 -0.876 1.494
69 H ALA 11 HN ALA 11 10.721 2.603 -1.187
70 HA ALA 11 HA ALA 11 10.700 5.290 -0.930
71 HB1 ALA 11 1HB ALA 11 13.319 5.658 -1.291
72 HB2 ALA 11 2HB ALA 11 12.562 5.683 0.302
73 HB3 ALA 11 3HB ALA 11 13.378 4.225 -0.264
74 H GLU 12 HN GLU 12 12.696 2.825 -2.535
75 HA GLU 12 HA GLU 12 13.330 3.886 -4.904
76 HB2 GLU 12 2HB GLU 12 11.910 1.253 -4.999
77 HB3 GLU 12 3HB GLU 12 13.382 1.754 -5.819
78 HG2 GLU 12 2HG GLU 12 14.479 1.797 -3.542
79 HG3 GLU 12 3HG GLU 12 13.041 0.973 -2.943
80 H SER 13 HN SER 13 10.115 2.484 -4.261
81 HA SER 13 HA SER 13 8.554 4.427 -5.370
82 HB2 SER 13 2HB SER 13 9.969 2.918 -7.429
83 HB3 SER 13 3HB SER 13 8.218 2.874 -7.642
84 HG SER 13 HG SER 13 9.411 5.330 -7.057
85 H LEU 14 HN LEU 14 7.588 3.330 -3.481
86 HA LEU 14 HA LEU 14 6.497 0.710 -3.749
87 HB2 LEU 14 2HB LEU 14 7.045 1.848 -1.590
88 HB3 LEU 14 3HB LEU 14 5.642 2.884 -1.847
89 HG LEU 14 HG LEU 14 4.142 1.062 -1.577
90 HD11 LEU 14 1HD1 LEU 14 4.952 -0.788 -2.636
91 HD12 LEU 14 2HD1 LEU 14 5.304 -1.227 -0.964
92 HD13 LEU 14 3HD1 LEU 14 6.582 -0.582 -1.994
93 HD21 LEU 14 1HD2 LEU 14 5.068 0.072 0.663
94 HD22 LEU 14 2HD2 LEU 14 4.632 1.777 0.549
95 HD23 LEU 14 3HD2 LEU 14 6.324 1.290 0.441
96 H PHE 15 HN PHE 15 4.730 0.102 -4.800
97 HA PHE 15 HA PHE 15 2.505 1.971 -5.102
98 HB2 PHE 15 2HB PHE 15 2.322 1.167 -7.542
99 HB3 PHE 15 3HB PHE 15 3.548 2.373 -7.166
100 HD1 PHE 15 1HD PHE 15 5.783 1.991 -7.686
101 HD2 PHE 15 2HD PHE 15 3.050 -1.272 -7.650
102 HE1 PHE 15 1HE PHE 15 7.514 0.535 -8.655
103 HE2 PHE 15 2HE PHE 15 4.776 -2.733 -8.617
104 HZ PHE 15 HZ PHE 15 7.012 -1.831 -9.120
105 HA PRO 16 HA PRO 16 0.632 1.820 -6.556
106 HB2 PRO 16 2HB PRO 16 -1.867 1.850 -5.496
107 HB3 PRO 16 3HB PRO 16 -1.447 0.919 -6.939
108 HG2 PRO 16 2HG PRO 16 -1.715 -0.001 -4.103
109 HG3 PRO 16 3HG PRO 16 -2.284 -0.781 -5.591
110 HD2 PRO 16 2HD PRO 16 -0.022 -1.550 -4.317
111 HD3 PRO 16 3HD PRO 16 -0.207 -1.650 -6.080
112 H CYS 17 HN CYS 17 -0.716 3.715 -5.436
113 HA CYS 17 HA CYS 17 0.893 4.860 -3.504
114 HB2 CYS 17 2HB CYS 17 -2.029 5.526 -3.607
115 HB3 CYS 17 3HB CYS 17 -0.650 6.602 -3.406
116 H ARG 18 HN ARG 18 -0.499 5.772 -1.394
117 HA ARG 18 HA ARG 18 -1.084 3.320 0.129
118 HB2 ARG 18 2HB ARG 18 -0.035 4.207 1.969
119 HB3 ARG 18 3HB ARG 18 0.906 4.959 0.688
120 HG2 ARG 18 2HG ARG 18 -1.406 6.252 2.120
121 HG3 ARG 18 3HG ARG 18 0.299 6.526 2.482
122 HD2 ARG 18 2HD ARG 18 -1.062 7.095 -0.150
123 HD3 ARG 18 3HD ARG 18 -0.624 8.297 1.064
124 HE ARG 18 HE ARG 18 1.711 6.985 0.475
125 HH11 ARG 18 1HH1 ARG 18 -0.670 8.784 -1.319
126 HH12 ARG 18 2HH1 ARG 18 0.463 9.355 -2.501
127 HH21 ARG 18 1HH2 ARG 18 3.211 7.730 -1.074
128 HH22 ARG 18 2HH2 ARG 18 2.669 8.754 -2.360
129 H VAL 19 HN VAL 19 -2.639 5.747 -1.356
130 HA VAL 19 HA VAL 19 -4.621 6.184 0.760
131 HB VAL 19 HB VAL 19 -5.507 7.658 -1.366
132 HG11 VAL 19 1HG1 VAL 19 -3.598 8.442 0.831
133 HG12 VAL 19 2HG1 VAL 19 -4.481 9.590 -0.178
134 HG13 VAL 19 3HG1 VAL 19 -5.359 8.486 0.881
135 HG21 VAL 19 1HG2 VAL 19 -3.688 8.721 -2.452
136 HG22 VAL 19 2HG2 VAL 19 -2.511 7.942 -1.396
137 HG23 VAL 19 3HG2 VAL 19 -3.401 6.986 -2.581
138 H CYS 20 HN CYS 20 -4.720 5.632 -2.766
139 HA CYS 20 HA CYS 20 -7.239 4.938 -3.236
140 HB2 CYS 20 2HB CYS 20 -6.051 2.861 -4.552
141 HB3 CYS 20 3HB CYS 20 -6.111 4.518 -5.146
142 H THR 21 HN THR 21 -4.975 2.966 -1.416
143 HA THR 21 HA THR 21 -6.775 1.726 0.218
144 HB THR 21 HB THR 21 -6.567 -0.644 -1.085
145 HG1 THR 21 1HG THR 21 -7.410 0.958 -3.201
146 HG21 THR 21 1HG2 THR 21 -8.704 -0.384 -0.456
147 HG22 THR 21 2HG2 THR 21 -8.955 0.322 -2.053
148 HG23 THR 21 3HG2 THR 21 -8.641 1.366 -0.667
149 H ARG 22 HN ARG 22 -4.028 2.610 0.061
150 HA ARG 22 HA ARG 22 -2.140 2.038 1.246
151 HB2 ARG 22 2HB ARG 22 -2.969 -0.851 1.245
152 HB3 ARG 22 3HB ARG 22 -1.945 0.001 2.394
153 HG2 ARG 22 2HG ARG 22 -3.680 0.600 3.656
154 HG3 ARG 22 3HG ARG 22 -4.641 1.087 2.258
155 HD2 ARG 22 2HD ARG 22 -4.668 -1.599 1.967
156 HD3 ARG 22 3HD ARG 22 -4.572 -1.469 3.723
157 HE ARG 22 HE ARG 22 -6.563 0.274 2.872
158 HH11 ARG 22 1HH1 ARG 22 -5.932 -3.150 2.884
159 HH12 ARG 22 2HH1 ARG 22 -7.606 -3.590 2.956
160 HH21 ARG 22 1HH2 ARG 22 -8.770 -0.293 2.968
161 HH22 ARG 22 2HH2 ARG 22 -9.219 -1.964 3.004
162 H VAL 23 HN VAL 23 -0.302 0.175 0.962
163 HA VAL 23 HA VAL 23 0.149 0.071 -1.940
164 HB VAL 23 HB VAL 23 2.522 -0.130 -1.440
165 HG11 VAL 23 1HG1 VAL 23 2.519 2.095 0.137
166 HG12 VAL 23 2HG1 VAL 23 2.284 2.094 -1.612
167 HG13 VAL 23 3HG1 VAL 23 0.888 2.125 -0.534
168 HG21 VAL 23 1HG2 VAL 23 2.931 -1.218 0.498
169 HG22 VAL 23 2HG2 VAL 23 2.972 0.419 1.155
170 HG23 VAL 23 3HG2 VAL 23 1.507 -0.552 1.298
171 H PHE 24 HN PHE 24 1.163 -1.808 -2.857
172 HA PHE 24 HA PHE 24 1.145 -4.254 -1.289
173 HB2 PHE 24 2HB PHE 24 -0.303 -4.539 -3.847
174 HB3 PHE 24 3HB PHE 24 -0.603 -5.303 -2.289
175 HD1 PHE 24 1HD PHE 24 -1.722 -2.886 -4.605
176 HD2 PHE 24 2HD PHE 24 -1.611 -3.784 -0.446
177 HE1 PHE 24 1HE PHE 24 -3.616 -1.360 -4.229
178 HE2 PHE 24 2HE PHE 24 -3.504 -2.260 -0.063
179 HZ PHE 24 HZ PHE 24 -4.510 -1.046 -1.955
180 H HIS 25 HN HIS 25 3.088 -5.061 -1.698
181 HA HIS 25 HA HIS 25 4.698 -4.433 -3.892
182 HB2 HIS 25 2HB HIS 25 4.835 -6.909 -2.158
183 HB3 HIS 25 3HB HIS 25 6.135 -6.273 -3.162
184 HD2 HIS 25 2HD HIS 25 4.726 -3.251 -1.560
185 HE1 HIS 25 1HE HIS 25 7.554 -4.720 1.240
186 HE2 HIS 25 2HE HIS 25 6.049 -2.799 0.615
187 H ASP 26 HN ASP 26 4.871 -5.208 -5.906
188 HA ASP 26 HA ASP 26 2.868 -6.683 -7.122
189 HB2 ASP 26 2HB ASP 26 4.574 -7.048 -8.968
190 HB3 ASP 26 3HB ASP 26 4.289 -5.372 -8.503
191 H GLY 27 HN GLY 27 5.662 -7.772 -5.372
192 HA2 GLY 27 1HA GLY 27 5.519 -10.482 -6.372
193 HA3 GLY 27 2HA GLY 27 6.574 -9.892 -5.096
194 H CYS 28 HN CYS 28 4.573 -8.769 -3.428
195 HA CYS 28 HA CYS 28 3.891 -10.966 -1.857
196 HB2 CYS 28 2HB CYS 28 3.013 -8.107 -1.936
197 HB3 CYS 28 3HB CYS 28 2.153 -9.235 -0.894
198 H LEU 29 HN LEU 29 1.843 -9.063 -4.057
199 HA LEU 29 HA LEU 29 -0.490 -10.613 -3.656
200 HB2 LEU 29 2HB LEU 29 0.216 -8.988 -6.091
201 HB3 LEU 29 3HB LEU 29 -1.396 -9.453 -5.550
202 HG LEU 29 HG LEU 29 0.350 -7.692 -3.863
203 HD11 LEU 29 1HD1 LEU 29 -1.342 -5.952 -5.064
204 HD12 LEU 29 2HD1 LEU 29 -0.964 -7.035 -6.403
205 HD13 LEU 29 3HD1 LEU 29 0.335 -6.208 -5.545
206 HD21 LEU 29 1HD2 LEU 29 -1.691 -7.032 -2.860
207 HD22 LEU 29 2HD2 LEU 29 -1.740 -8.791 -2.980
208 HD23 LEU 29 3HD2 LEU 29 -2.646 -7.803 -4.128
209 H ARG 30 HN ARG 30 2.314 -11.023 -5.641
210 HA ARG 30 HA ARG 30 1.079 -12.968 -7.389
211 HB2 ARG 30 2HB ARG 30 2.801 -12.444 -8.704
212 HB3 ARG 30 3HB ARG 30 3.420 -11.381 -7.447
213 HG2 ARG 30 2HG ARG 30 4.600 -13.335 -6.462
214 HG3 ARG 30 3HG ARG 30 4.080 -14.287 -7.853
215 HD2 ARG 30 2HD ARG 30 5.321 -12.915 -9.354
216 HD3 ARG 30 3HD ARG 30 5.653 -11.733 -8.089
217 HE ARG 30 HE ARG 30 7.410 -13.023 -7.405
218 HH11 ARG 30 1HH1 ARG 30 5.294 -14.955 -9.384
219 HH12 ARG 30 2HH1 ARG 30 6.363 -16.319 -9.422
220 HH21 ARG 30 1HH2 ARG 30 8.823 -14.812 -7.447
221 HH22 ARG 30 2HH2 ARG 30 8.369 -16.237 -8.318
222 H ARG 31 HN ARG 31 2.882 -12.936 -4.425
223 HA ARG 31 HA ARG 31 3.462 -15.781 -4.539
224 HB2 ARG 31 2HB ARG 31 4.398 -13.506 -3.006
225 HB3 ARG 31 3HB ARG 31 3.998 -14.857 -1.954
226 HG2 ARG 31 2HG ARG 31 5.750 -15.179 -4.369
227 HG3 ARG 31 3HG ARG 31 6.386 -14.708 -2.791
228 HD2 ARG 31 2HD ARG 31 4.732 -16.900 -2.293
229 HD3 ARG 31 3HD ARG 31 5.614 -17.313 -3.763
230 HE ARG 31 HE ARG 31 7.405 -16.281 -1.854
231 HH11 ARG 31 1HH1 ARG 31 5.456 -19.096 -2.484
232 HH12 ARG 31 2HH1 ARG 31 6.499 -20.173 -1.615
233 HH21 ARG 31 1HH2 ARG 31 8.786 -17.689 -0.708
234 HH22 ARG 31 2HH2 ARG 31 8.392 -19.372 -0.605
235 H MET 32 HN MET 32 1.226 -13.580 -2.974
236 HA MET 32 HA MET 32 0.133 -15.620 -1.247
237 HB2 MET 32 2HB MET 32 -0.494 -12.737 -1.781
238 HB3 MET 32 3HB MET 32 -1.645 -13.739 -0.907
239 HG2 MET 32 2HG MET 32 0.297 -12.315 0.270
240 HG3 MET 32 3HG MET 32 -0.396 -13.785 0.952
241 HE1 MET 32 1HE MET 32 3.633 -12.889 -0.729
242 HE2 MET 32 2HE MET 32 2.272 -11.856 -0.294
243 HE3 MET 32 3HE MET 32 3.310 -12.525 0.966
244 H GLY 33 HN GLY 33 -0.016 -15.350 -4.426
245 HA2 GLY 33 1HA GLY 33 -1.443 -16.172 -6.026
246 HA3 GLY 33 2HA GLY 33 -2.322 -16.946 -4.716
247 H TYR 34 HN TYR 34 -2.117 -13.659 -4.152
248 HA TYR 34 HA TYR 34 -4.879 -13.234 -4.378
249 HB2 TYR 34 2HB TYR 34 -2.541 -11.353 -4.123
250 HB3 TYR 34 3HB TYR 34 -4.195 -10.761 -4.224
251 HD1 TYR 34 1HD TYR 34 -5.710 -12.604 -2.596
252 HD2 TYR 34 2HD TYR 34 -1.803 -11.047 -1.952
253 HE1 TYR 34 1HE TYR 34 -5.982 -12.940 -0.175
254 HE2 TYR 34 2HE TYR 34 -2.063 -11.381 0.471
255 HH TYR 34 HH TYR 34 -4.926 -11.842 1.966
256 H ILE 35 HN ILE 35 -2.390 -13.136 -6.728
257 HA ILE 35 HA ILE 35 -4.323 -12.192 -8.720
258 HB ILE 35 HB ILE 35 -2.701 -10.796 -9.827
259 HG12 ILE 35 2HG1 ILE 35 -0.666 -10.756 -7.745
260 HG13 ILE 35 3HG1 ILE 35 -0.818 -12.345 -8.485
261 HG21 ILE 35 1HG2 ILE 35 -2.466 -9.015 -8.186
262 HG22 ILE 35 2HG2 ILE 35 -4.046 -9.784 -8.052
263 HG23 ILE 35 3HG2 ILE 35 -2.781 -10.159 -6.882
264 HD11 ILE 35 1HD1 ILE 35 -0.227 -11.551 -10.589
265 HD12 ILE 35 2HD1 ILE 35 -0.558 -9.874 -10.151
266 HD13 ILE 35 3HD1 ILE 35 0.854 -10.698 -9.487
267 H GLN 36 HN GLN 36 -3.052 -12.403 -11.002
268 HA GLN 36 HA GLN 36 -1.322 -14.672 -11.200
269 HB2 GLN 36 2HB GLN 36 -4.172 -15.106 -11.252
270 HB3 GLN 36 3HB GLN 36 -3.462 -15.538 -12.802
271 HG2 GLN 36 2HG GLN 36 -1.962 -16.532 -10.505
272 HG3 GLN 36 3HG GLN 36 -3.607 -17.157 -10.613
273 HE21 GLN 36 1HE2 GLN 36 -3.805 -18.951 -11.723
274 HE22 GLN 36 2HE2 GLN 36 -2.785 -19.474 -13.016
275 H GLY 37 HN GLY 37 -0.016 -13.412 -12.477
276 HA2 GLY 37 1HA GLY 37 0.144 -13.420 -15.067
277 HA3 GLY 37 2HA GLY 37 -1.183 -12.277 -14.924
278 H ASP 38 HN ASP 38 1.580 -11.986 -15.989
279 HA ASP 38 HA ASP 38 2.764 -10.079 -14.124
280 HB2 ASP 38 2HB ASP 38 4.583 -9.979 -15.904
281 HB3 ASP 38 3HB ASP 38 4.377 -11.525 -15.085
282 H SER 39 HN SER 39 1.492 -8.273 -14.183
283 HA SER 39 HA SER 39 0.392 -7.150 -16.528
284 HB2 SER 39 2HB SER 39 0.091 -6.706 -13.834
285 HB3 SER 39 3HB SER 39 0.945 -5.254 -14.353
286 HG SER 39 HG SER 39 -1.353 -6.242 -15.679
287 H ALA 40 HN ALA 40 1.359 -6.092 -18.116
288 HA ALA 40 HA ALA 40 4.092 -5.143 -17.762
289 HB1 ALA 40 1HB ALA 40 2.838 -4.778 -20.387
290 HB2 ALA 40 2HB ALA 40 4.380 -5.518 -19.955
291 HB3 ALA 40 3HB ALA 40 2.888 -6.449 -19.822
292 H ALA 41 HN ALA 41 4.181 -3.135 -19.671
293 HA ALA 41 HA ALA 41 3.670 -0.938 -20.106
294 HB1 ALA 41 1HB ALA 41 1.478 -0.772 -18.125
295 HB2 ALA 41 2HB ALA 41 1.573 -0.145 -19.771
296 HB3 ALA 41 3HB ALA 41 1.237 -1.855 -19.496
297 H GLU 42 HN GLU 42 5.132 0.423 -19.330
298 HA GLU 42 HA GLU 42 5.040 1.211 -16.533
299 HB2 GLU 42 2HB GLU 42 7.338 -0.237 -17.798
300 HB3 GLU 42 3HB GLU 42 7.649 0.962 -16.551
301 HG2 GLU 42 2HG GLU 42 6.160 -0.278 -15.029
302 HG3 GLU 42 3HG GLU 42 5.949 -1.506 -16.275
303 H VAL 43 HN VAL 43 4.392 3.231 -17.312
304 HA VAL 43 HA VAL 43 6.146 4.671 -19.131
305 HB VAL 43 HB VAL 43 3.634 5.644 -17.767
306 HG11 VAL 43 1HG1 VAL 43 4.105 6.915 -20.245
307 HG12 VAL 43 2HG1 VAL 43 4.144 7.625 -18.630
308 HG13 VAL 43 3HG1 VAL 43 5.617 6.961 -19.338
309 HG21 VAL 43 1HG2 VAL 43 4.080 4.112 -20.288
310 HG22 VAL 43 2HG2 VAL 43 2.816 3.930 -19.072
311 HG23 VAL 43 3HG2 VAL 43 2.762 5.282 -20.205
312 H THR 44 HN THR 44 4.881 5.084 -15.829
313 HA THR 44 HA THR 44 7.373 6.177 -14.921
314 HB THR 44 HB THR 44 6.318 8.159 -16.021
315 HG1 THR 44 1HG THR 44 6.474 8.416 -13.189
316 HG21 THR 44 1HG2 THR 44 3.976 7.628 -15.557
317 HG22 THR 44 2HG2 THR 44 4.399 9.219 -14.921
318 HG23 THR 44 3HG2 THR 44 4.264 7.839 -13.830
319 H GLU 45 HN GLU 45 7.615 5.895 -12.767
320 HA GLU 45 HA GLU 45 5.286 4.862 -11.301
321 HB2 GLU 45 2HB GLU 45 7.384 4.231 -9.713
322 HB3 GLU 45 3HB GLU 45 6.756 3.177 -10.973
323 HG2 GLU 45 2HG GLU 45 8.912 5.164 -11.566
324 HG3 GLU 45 3HG GLU 45 9.287 3.597 -10.852
325 H MET 46 HN MET 46 8.216 5.972 -9.763
326 HA MET 46 HA MET 46 8.611 7.556 -8.180
327 HB2 MET 46 2HB MET 46 6.541 9.054 -9.794
328 HB3 MET 46 3HB MET 46 7.521 9.778 -8.525
329 HG2 MET 46 2HG MET 46 9.462 8.716 -10.031
330 HG3 MET 46 3HG MET 46 8.245 8.999 -11.273
331 HE1 MET 46 1HE MET 46 10.359 12.196 -8.731
332 HE2 MET 46 2HE MET 46 9.374 10.934 -7.990
333 HE3 MET 46 3HE MET 46 10.841 10.504 -8.872
334 H ALA 47 HN ALA 47 7.857 6.409 -6.407
335 HA ALA 47 HA ALA 47 5.062 6.513 -5.672
336 HB1 ALA 47 1HB ALA 47 7.353 5.461 -4.024
337 HB2 ALA 47 2HB ALA 47 5.639 5.081 -3.860
338 HB3 ALA 47 3HB ALA 47 6.534 4.522 -5.272
339 H HIS 48 HN HIS 48 6.213 9.070 -5.878
340 HA HIS 48 HA HIS 48 5.883 9.984 -3.114
341 HB2 HIS 48 2HB HIS 48 8.369 9.921 -4.307
342 HB3 HIS 48 3HB HIS 48 7.836 11.571 -4.614
343 HD1 HIS 48 1HD HIS 48 9.940 10.093 -2.402
344 HD2 HIS 48 2HD HIS 48 6.509 12.359 -1.798
345 HE1 HIS 48 1HE HIS 48 10.137 11.002 -0.065
346 H THR 49 HN THR 49 4.026 9.959 -5.268
347 HA THR 49 HA THR 49 3.593 12.851 -5.551
348 HB THR 49 HB THR 49 2.634 12.415 -7.840
349 HG1 THR 49 1HG THR 49 3.896 10.353 -8.655
350 HG21 THR 49 1HG2 THR 49 5.563 12.023 -7.279
351 HG22 THR 49 2HG2 THR 49 4.730 13.491 -7.788
352 HG23 THR 49 3HG2 THR 49 4.932 12.155 -8.919
353 H GLU 50 HN GLU 50 1.483 13.524 -5.398
354 HA GLU 50 HA GLU 50 -0.316 12.012 -3.924
355 HB2 GLU 50 2HB GLU 50 -0.377 14.484 -4.149
356 HB3 GLU 50 3HB GLU 50 -0.981 14.295 -5.790
357 HG2 GLU 50 2HG GLU 50 -3.061 13.712 -5.112
358 HG3 GLU 50 3HG GLU 50 -2.485 12.934 -3.638
359 H THR 51 HN THR 51 -1.000 13.056 -7.257
360 HA THR 51 HA THR 51 -2.228 10.417 -7.731
361 HB THR 51 HB THR 51 -3.134 12.933 -9.113
362 HG1 THR 51 1HG THR 51 -3.842 13.500 -7.187
363 HG21 THR 51 1HG2 THR 51 -3.730 10.214 -9.424
364 HG22 THR 51 2HG2 THR 51 -4.582 11.583 -10.140
365 HG23 THR 51 3HG2 THR 51 -5.123 10.913 -8.601
366 H GLY 52 HN GLY 52 -0.715 9.375 -8.912
367 HA2 GLY 52 1HA GLY 52 -0.105 10.481 -11.544
368 HA3 GLY 52 2HA GLY 52 1.265 10.129 -10.502
369 H TRP 53 HN TRP 53 0.872 7.804 -9.397
370 HA TRP 53 HA TRP 53 1.062 5.962 -11.577
371 HB2 TRP 53 2HB TRP 53 2.488 5.633 -9.664
372 HB3 TRP 53 3HB TRP 53 1.100 5.561 -8.581
373 HD1 TRP 53 1HD TRP 53 0.313 3.201 -7.984
374 HE1 TRP 53 1HE TRP 53 0.644 0.843 -8.961
375 HE3 TRP 53 3HE TRP 53 2.907 4.434 -12.212
376 HZ2 TRP 53 2HZ TRP 53 1.846 -0.337 -11.227
377 HZ3 TRP 53 3HZ TRP 53 3.611 2.633 -13.732
378 HH2 TRP 53 2HH TRP 53 3.091 0.297 -13.247
379 H SER 54 HN SER 54 -0.282 4.223 -12.071
380 HA SER 54 HA SER 54 -3.077 4.655 -11.416
381 HB2 SER 54 2HB SER 54 -2.622 2.327 -13.057
382 HB3 SER 54 3HB SER 54 -3.440 3.834 -13.470
383 HG SER 54 HG SER 54 -1.234 4.692 -13.760
384 H CYS 55 HN CYS 55 -4.453 3.074 -10.537
385 HA CYS 55 HA CYS 55 -3.324 0.625 -9.483
386 HB2 CYS 55 2HB CYS 55 -4.686 2.336 -7.451
387 HB3 CYS 55 3HB CYS 55 -3.476 1.077 -7.226
388 H HIS 56 HN HIS 56 -4.904 -0.874 -8.783
389 HA HIS 56 HA HIS 56 -7.136 -1.207 -10.234
390 HB2 HIS 56 2HB HIS 56 -6.085 -2.612 -8.234
391 HB3 HIS 56 3HB HIS 56 -7.425 -1.893 -7.346
392 HD1 HIS 56 1HD HIS 56 -9.311 -2.041 -10.007
393 HD2 HIS 56 2HD HIS 56 -7.304 -5.142 -8.106
394 HE1 HIS 56 1HE HIS 56 -10.550 -4.134 -10.646
395 H TYR 57 HN TYR 57 -6.999 0.611 -7.189
396 HA TYR 57 HA TYR 57 -9.588 1.824 -7.906
397 HB2 TYR 57 2HB TYR 57 -8.913 1.890 -5.056
398 HB3 TYR 57 3HB TYR 57 -10.425 1.455 -5.846
399 HD1 TYR 57 1HD TYR 57 -6.991 0.087 -5.289
400 HD2 TYR 57 2HD TYR 57 -11.145 -0.736 -5.707
401 HE1 TYR 57 1HE TYR 57 -6.567 -2.282 -4.783
402 HE2 TYR 57 2HE TYR 57 -10.732 -3.107 -5.200
403 HH TYR 57 HH TYR 57 -9.037 -4.474 -4.041
404 H CYS 58 HN CYS 58 -7.422 3.011 -8.912
405 HA CYS 58 HA CYS 58 -6.580 5.119 -7.070
406 HB2 CYS 58 2HB CYS 58 -5.102 3.762 -8.827
407 HB3 CYS 58 3HB CYS 58 -5.647 5.049 -9.897
408 H ASP 59 HN ASP 59 -8.002 4.804 -10.318
409 HA ASP 59 HA ASP 59 -9.302 6.204 -11.555
410 HB2 ASP 59 2HB ASP 59 -10.737 5.833 -9.478
411 HB3 ASP 59 3HB ASP 59 -10.187 7.418 -8.940
412 H ASN 60 HN ASN 60 -8.181 7.624 -12.726
413 HA ASN 60 HA ASN 60 -6.901 9.896 -11.391
414 HB2 ASN 60 2HB ASN 60 -6.621 8.973 -14.260
415 HB3 ASN 60 3HB ASN 60 -5.643 10.193 -13.450
416 HD21 ASN 60 1HD2 ASN 60 -4.342 9.480 -11.625
417 HD22 ASN 60 2HD2 ASN 60 -3.698 7.876 -11.634
Start of MODEL 10
1 H1 GLU 1 HN GLU 1 1.140 4.606 5.067
2 HA GLU 1 HA GLU 1 -0.408 2.512 3.738
3 HB2 GLU 1 2HB GLU 1 1.306 4.750 2.854
4 HB3 GLU 1 3HB GLU 1 1.417 3.286 1.887
5 HG2 GLU 1 2HG GLU 1 -0.336 5.180 1.355
6 HG3 GLU 1 3HG GLU 1 -0.697 3.474 1.094
7 H MET 2 HN MET 2 0.395 0.747 4.974
8 HA MET 2 HA MET 2 3.182 0.022 4.342
9 HB2 MET 2 2HB MET 2 1.798 -1.332 6.590
10 HB3 MET 2 3HB MET 2 3.483 -0.852 6.429
11 HG2 MET 2 2HG MET 2 1.208 1.048 6.947
12 HG3 MET 2 3HG MET 2 2.253 0.369 8.192
13 HE1 MET 2 1HE MET 2 4.750 0.385 7.975
14 HE2 MET 2 2HE MET 2 5.676 1.811 7.506
15 HE3 MET 2 3HE MET 2 4.617 1.871 8.916
16 H CYS 3 HN CYS 3 3.376 -1.587 2.943
17 HA CYS 3 HA CYS 3 1.529 -2.957 1.601
18 HB2 CYS 3 2HB CYS 3 3.959 -3.207 1.240
19 HB3 CYS 3 3HB CYS 3 4.057 -4.227 2.672
20 H ASP 4 HN ASP 4 -0.182 -4.132 2.119
21 HA ASP 4 HA ASP 4 -0.708 -5.082 4.715
22 HB2 ASP 4 2HB ASP 4 -2.307 -4.567 2.687
23 HB3 ASP 4 3HB ASP 4 -2.073 -6.276 2.334
24 H VAL 5 HN VAL 5 1.372 -6.285 2.415
25 HA VAL 5 HA VAL 5 1.118 -9.048 3.402
26 HB VAL 5 HB VAL 5 2.540 -8.045 0.931
27 HG11 VAL 5 1HG1 VAL 5 2.520 -10.559 0.417
28 HG12 VAL 5 2HG1 VAL 5 3.699 -9.964 1.588
29 HG13 VAL 5 3HG1 VAL 5 2.232 -10.771 2.143
30 HG21 VAL 5 1HG2 VAL 5 0.702 -9.431 -0.189
31 HG22 VAL 5 2HG2 VAL 5 -0.136 -9.338 1.360
32 HG23 VAL 5 3HG2 VAL 5 0.249 -7.861 0.476
33 H CYS 6 HN CYS 6 2.825 -6.300 3.966
34 HA CYS 6 HA CYS 6 5.008 -7.796 5.187
35 HB2 CYS 6 2HB CYS 6 5.496 -5.465 3.321
36 HB3 CYS 6 3HB CYS 6 6.723 -6.299 4.268
37 H GLU 7 HN GLU 7 3.857 -4.478 4.557
38 HA GLU 7 HA GLU 7 3.192 -2.865 6.058
39 HB2 GLU 7 2HB GLU 7 4.237 -4.472 8.364
40 HB3 GLU 7 3HB GLU 7 2.920 -3.308 8.334
41 HG2 GLU 7 2HG GLU 7 2.126 -5.314 6.584
42 HG3 GLU 7 3HG GLU 7 2.867 -6.162 7.940
43 H VAL 8 HN VAL 8 5.087 -1.951 4.884
44 HA VAL 8 HA VAL 8 6.806 -0.617 6.662
45 HB VAL 8 HB VAL 8 8.853 -1.837 5.240
46 HG11 VAL 8 1HG1 VAL 8 8.121 -2.737 7.997
47 HG12 VAL 8 2HG1 VAL 8 9.708 -2.350 7.329
48 HG13 VAL 8 3HG1 VAL 8 8.567 -1.057 7.702
49 HG21 VAL 8 1HG2 VAL 8 7.305 -4.080 6.468
50 HG22 VAL 8 2HG2 VAL 8 7.001 -3.609 4.795
51 HG23 VAL 8 3HG2 VAL 8 8.611 -4.136 5.284
52 H TRP 9 HN TRP 9 6.265 1.199 5.521
53 HA TRP 9 HA TRP 9 6.624 1.302 2.650
54 HB2 TRP 9 2HB TRP 9 4.857 2.661 3.099
55 HB3 TRP 9 3HB TRP 9 5.424 3.035 4.724
56 HD1 TRP 9 1HD TRP 9 7.240 5.048 4.946
57 HE1 TRP 9 1HE TRP 9 7.659 7.095 3.445
58 HE3 TRP 9 3HE TRP 9 4.823 3.469 0.727
59 HZ2 TRP 9 2HZ TRP 9 7.047 7.932 0.820
60 HZ3 TRP 9 3HZ TRP 9 4.786 4.953 -1.235
61 HH2 TRP 9 2HH TRP 9 5.874 7.139 -1.187
62 H THR 10 HN THR 10 7.833 3.218 1.723
63 HA THR 10 HA THR 10 10.058 4.222 3.253
64 HB THR 10 HB THR 10 11.615 3.289 1.296
65 HG1 THR 10 1HG THR 10 9.348 1.693 1.282
66 HG21 THR 10 1HG2 THR 10 12.623 2.374 3.059
67 HG22 THR 10 2HG2 THR 10 11.366 1.142 3.182
68 HG23 THR 10 3HG2 THR 10 11.172 2.686 4.012
69 H ALA 11 HN ALA 11 10.018 3.580 -0.215
70 HA ALA 11 HA ALA 11 8.814 5.746 -1.293
71 HB1 ALA 11 1HB ALA 11 9.878 7.469 -0.287
72 HB2 ALA 11 2HB ALA 11 11.339 6.531 0.025
73 HB3 ALA 11 3HB ALA 11 11.046 7.199 -1.580
74 H GLU 12 HN GLU 12 11.454 3.543 -1.305
75 HA GLU 12 HA GLU 12 12.811 3.783 -3.586
76 HB2 GLU 12 2HB GLU 12 12.195 1.165 -3.856
77 HB3 GLU 12 3HB GLU 12 13.353 1.780 -2.685
78 HG2 GLU 12 2HG GLU 12 11.923 1.498 -0.912
79 HG3 GLU 12 3HG GLU 12 10.481 1.579 -1.923
80 H SER 13 HN SER 13 9.693 2.044 -3.604
81 HA SER 13 HA SER 13 8.628 3.427 -5.810
82 HB2 SER 13 2HB SER 13 10.498 2.199 -6.964
83 HB3 SER 13 3HB SER 13 9.699 0.690 -6.526
84 HG SER 13 HG SER 13 9.258 1.983 -8.669
85 H LEU 14 HN LEU 14 7.817 2.414 -3.254
86 HA LEU 14 HA LEU 14 6.295 0.088 -3.339
87 HB2 LEU 14 2HB LEU 14 6.848 1.438 -1.314
88 HB3 LEU 14 3HB LEU 14 5.617 2.597 -1.814
89 HG LEU 14 HG LEU 14 3.868 1.056 -1.404
90 HD11 LEU 14 1HD1 LEU 14 4.710 -0.952 -2.331
91 HD12 LEU 14 2HD1 LEU 14 4.388 -1.281 -0.629
92 HD13 LEU 14 3HD1 LEU 14 6.042 -1.009 -1.177
93 HD21 LEU 14 1HD2 LEU 14 5.037 0.134 0.976
94 HD22 LEU 14 2HD2 LEU 14 4.042 1.572 0.747
95 HD23 LEU 14 3HD2 LEU 14 5.797 1.686 0.620
96 H PHE 15 HN PHE 15 4.544 -0.460 -4.444
97 HA PHE 15 HA PHE 15 2.670 1.643 -5.279
98 HB2 PHE 15 2HB PHE 15 2.504 -0.184 -7.329
99 HB3 PHE 15 3HB PHE 15 3.379 1.341 -7.394
100 HD1 PHE 15 1HD PHE 15 4.051 -2.009 -5.888
101 HD2 PHE 15 2HD PHE 15 5.410 1.128 -8.423
102 HE1 PHE 15 1HE PHE 15 6.149 -3.235 -6.274
103 HE2 PHE 15 2HE PHE 15 7.510 -0.094 -8.815
104 HZ PHE 15 HZ PHE 15 7.881 -2.279 -7.740
105 HA PRO 16 HA PRO 16 0.837 1.454 -6.778
106 HB2 PRO 16 2HB PRO 16 -1.626 2.248 -5.958
107 HB3 PRO 16 3HB PRO 16 -1.373 0.892 -7.063
108 HG2 PRO 16 2HG PRO 16 -1.883 0.861 -4.114
109 HG3 PRO 16 3HG PRO 16 -2.566 -0.176 -5.379
110 HD2 PRO 16 2HD PRO 16 -0.535 -0.978 -3.778
111 HD3 PRO 16 3HD PRO 16 -0.698 -1.525 -5.458
112 H CYS 17 HN CYS 17 -0.138 3.802 -6.304
113 HA CYS 17 HA CYS 17 1.628 5.166 -4.721
114 HB2 CYS 17 2HB CYS 17 -1.181 6.188 -4.955
115 HB3 CYS 17 3HB CYS 17 0.338 7.071 -5.080
116 H ARG 18 HN ARG 18 0.859 6.649 -2.809
117 HA ARG 18 HA ARG 18 0.325 4.890 -0.619
118 HB2 ARG 18 2HB ARG 18 0.609 6.851 0.782
119 HB3 ARG 18 3HB ARG 18 1.871 6.807 -0.441
120 HG2 ARG 18 2HG ARG 18 1.263 9.019 -0.479
121 HG3 ARG 18 3HG ARG 18 0.257 8.358 -1.770
122 HD2 ARG 18 2HD ARG 18 -1.539 9.133 -0.723
123 HD3 ARG 18 3HD ARG 18 -1.194 8.045 0.620
124 HE ARG 18 HE ARG 18 0.316 10.485 0.716
125 HH11 ARG 18 1HH1 ARG 18 -2.718 8.974 1.518
126 HH12 ARG 18 2HH1 ARG 18 -3.077 10.081 2.802
127 HH21 ARG 18 1HH2 ARG 18 -0.148 11.948 2.403
128 HH22 ARG 18 2HH2 ARG 18 -1.617 11.773 3.303
129 H VAL 19 HN VAL 19 -1.461 7.493 -2.226
130 HA VAL 19 HA VAL 19 -3.666 7.599 -0.515
131 HB VAL 19 HB VAL 19 -3.710 9.346 -1.989
132 HG11 VAL 19 1HG1 VAL 19 -3.544 8.586 -4.602
133 HG12 VAL 19 2HG1 VAL 19 -2.187 9.146 -3.623
134 HG13 VAL 19 3HG1 VAL 19 -2.482 7.417 -3.817
135 HG21 VAL 19 1HG2 VAL 19 -5.385 7.699 -3.800
136 HG22 VAL 19 2HG2 VAL 19 -5.849 7.766 -2.100
137 HG23 VAL 19 3HG2 VAL 19 -5.728 9.254 -3.040
138 H CYS 20 HN CYS 20 -4.024 6.323 -3.797
139 HA CYS 20 HA CYS 20 -6.242 4.872 -3.597
140 HB2 CYS 20 2HB CYS 20 -4.986 3.088 -5.072
141 HB3 CYS 20 3HB CYS 20 -5.285 4.710 -5.690
142 H THR 21 HN THR 21 -6.704 4.012 -1.596
143 HA THR 21 HA THR 21 -6.561 2.615 0.226
144 HB THR 21 HB THR 21 -6.773 0.332 -0.321
145 HG1 THR 21 1HG THR 21 -5.573 0.768 -2.859
146 HG21 THR 21 1HG2 THR 21 -8.375 0.318 -2.044
147 HG22 THR 21 2HG2 THR 21 -7.583 1.639 -2.906
148 HG23 THR 21 3HG2 THR 21 -8.432 1.956 -1.394
149 H ARG 22 HN ARG 22 -4.995 0.141 0.316
150 HA ARG 22 HA ARG 22 -2.562 1.273 1.368
151 HB2 ARG 22 2HB ARG 22 -4.102 -0.922 2.009
152 HB3 ARG 22 3HB ARG 22 -2.703 -1.646 1.228
153 HG2 ARG 22 2HG ARG 22 -1.217 -0.567 2.791
154 HG3 ARG 22 3HG ARG 22 -2.571 0.293 3.527
155 HD2 ARG 22 2HD ARG 22 -3.532 -1.787 4.287
156 HD3 ARG 22 3HD ARG 22 -2.287 -2.707 3.445
157 HE ARG 22 HE ARG 22 -1.022 -0.966 5.223
158 HH11 ARG 22 1HH1 ARG 22 -3.119 -3.744 5.296
159 HH12 ARG 22 2HH1 ARG 22 -2.529 -4.312 6.822
160 HH21 ARG 22 1HH2 ARG 22 -0.237 -1.704 7.234
161 HH22 ARG 22 2HH2 ARG 22 -0.890 -3.150 7.924
162 H VAL 23 HN VAL 23 -0.580 -0.423 0.940
163 HA VAL 23 HA VAL 23 -0.136 -0.246 -1.960
164 HB VAL 23 HB VAL 23 2.256 -0.330 -1.460
165 HG11 VAL 23 1HG1 VAL 23 1.916 1.878 -1.489
166 HG12 VAL 23 2HG1 VAL 23 0.453 1.753 -0.510
167 HG13 VAL 23 3HG1 VAL 23 2.036 1.795 0.268
168 HG21 VAL 23 1HG2 VAL 23 2.788 0.039 1.078
169 HG22 VAL 23 2HG2 VAL 23 1.259 -0.808 1.311
170 HG23 VAL 23 3HG2 VAL 23 2.576 -1.590 0.438
171 H PHE 24 HN PHE 24 0.914 -1.961 -3.066
172 HA PHE 24 HA PHE 24 0.989 -4.544 -1.685
173 HB2 PHE 24 2HB PHE 24 -0.073 -4.700 -4.421
174 HB3 PHE 24 3HB PHE 24 -0.588 -5.540 -2.963
175 HD1 PHE 24 1HD PHE 24 -1.693 -3.837 -1.168
176 HD2 PHE 24 2HD PHE 24 -1.628 -3.340 -5.394
177 HE1 PHE 24 1HE PHE 24 -3.667 -2.377 -1.022
178 HE2 PHE 24 2HE PHE 24 -3.602 -1.878 -5.255
179 HZ PHE 24 HZ PHE 24 -4.623 -1.394 -3.068
180 H HIS 25 HN HIS 25 3.009 -5.226 -1.904
181 HA HIS 25 HA HIS 25 4.805 -4.314 -3.878
182 HB2 HIS 25 2HB HIS 25 4.953 -6.740 -2.077
183 HB3 HIS 25 3HB HIS 25 6.294 -6.127 -3.043
184 HD2 HIS 25 2HD HIS 25 4.565 -3.132 -1.603
185 HE1 HIS 25 1HE HIS 25 7.521 -4.211 1.243
186 HE2 HIS 25 2HE HIS 25 5.830 -2.475 0.555
187 H ASP 26 HN ASP 26 5.002 -4.877 -5.935
188 HA ASP 26 HA ASP 26 3.424 -6.440 -7.428
189 HB2 ASP 26 2HB ASP 26 6.159 -5.475 -7.695
190 HB3 ASP 26 3HB ASP 26 5.904 -6.986 -8.564
191 H GLY 27 HN GLY 27 6.264 -7.618 -5.654
192 HA2 GLY 27 1HA GLY 27 6.001 -10.318 -6.522
193 HA3 GLY 27 2HA GLY 27 6.966 -9.754 -5.164
194 H CYS 28 HN CYS 28 5.051 -8.651 -3.528
195 HA CYS 28 HA CYS 28 4.071 -10.868 -2.154
196 HB2 CYS 28 2HB CYS 28 3.345 -7.945 -2.050
197 HB3 CYS 28 3HB CYS 28 2.590 -9.130 -0.988
198 H LEU 29 HN LEU 29 2.570 -8.848 -4.602
199 HA LEU 29 HA LEU 29 -0.084 -9.664 -4.313
200 HB2 LEU 29 2HB LEU 29 1.457 -8.824 -6.760
201 HB3 LEU 29 3HB LEU 29 -0.287 -9.075 -6.744
202 HG LEU 29 HG LEU 29 1.124 -7.058 -5.005
203 HD11 LEU 29 1HD1 LEU 29 -0.476 -6.137 -7.292
204 HD12 LEU 29 2HD1 LEU 29 1.065 -6.890 -7.699
205 HD13 LEU 29 3HD1 LEU 29 1.022 -5.497 -6.619
206 HD21 LEU 29 1HD2 LEU 29 -1.719 -7.780 -5.558
207 HD22 LEU 29 2HD2 LEU 29 -1.304 -6.116 -5.148
208 HD23 LEU 29 3HD2 LEU 29 -0.928 -7.423 -4.023
209 H ARG 30 HN ARG 30 2.640 -11.224 -5.856
210 HA ARG 30 HA ARG 30 0.963 -13.300 -7.011
211 HB2 ARG 30 2HB ARG 30 3.978 -13.079 -6.980
212 HB3 ARG 30 3HB ARG 30 3.017 -14.171 -7.969
213 HG2 ARG 30 2HG ARG 30 2.253 -12.452 -9.343
214 HG3 ARG 30 3HG ARG 30 2.687 -11.202 -8.174
215 HD2 ARG 30 2HD ARG 30 4.946 -11.327 -8.688
216 HD3 ARG 30 3HD ARG 30 4.801 -12.948 -9.370
217 HE ARG 30 HE ARG 30 3.295 -11.191 -10.942
218 HH11 ARG 30 1HH1 ARG 30 6.617 -11.834 -10.123
219 HH12 ARG 30 2HH1 ARG 30 7.238 -11.254 -11.633
220 HH21 ARG 30 1HH2 ARG 30 4.101 -10.424 -12.933
221 HH22 ARG 30 2HH2 ARG 30 5.806 -10.452 -13.231
222 H ARG 31 HN ARG 31 3.234 -12.853 -4.366
223 HA ARG 31 HA ARG 31 3.743 -15.438 -3.593
224 HB2 ARG 31 2HB ARG 31 3.918 -12.850 -2.408
225 HB3 ARG 31 3HB ARG 31 3.215 -13.946 -1.226
226 HG2 ARG 31 2HG ARG 31 5.506 -14.066 -0.834
227 HG3 ARG 31 3HG ARG 31 5.157 -15.509 -1.788
228 HD2 ARG 31 2HD ARG 31 5.727 -13.892 -3.794
229 HD3 ARG 31 3HD ARG 31 6.625 -13.033 -2.544
230 HE ARG 31 HE ARG 31 7.352 -15.490 -3.785
231 HH11 ARG 31 1HH1 ARG 31 7.510 -13.729 -0.786
232 HH12 ARG 31 2HH1 ARG 31 8.943 -14.532 -0.239
233 HH21 ARG 31 1HH2 ARG 31 9.240 -16.554 -3.076
234 HH22 ARG 31 2HH2 ARG 31 9.928 -16.139 -1.542
235 H MET 32 HN MET 32 0.959 -13.440 -2.625
236 HA MET 32 HA MET 32 -0.330 -15.820 -1.512
237 HB2 MET 32 2HB MET 32 -1.908 -13.427 -1.266
238 HB3 MET 32 3HB MET 32 -1.218 -14.435 -0.001
239 HG2 MET 32 2HG MET 32 0.972 -13.195 -0.481
240 HG3 MET 32 3HG MET 32 -0.038 -12.034 -1.340
241 HE1 MET 32 1HE MET 32 0.684 -13.974 1.653
242 HE2 MET 32 2HE MET 32 0.855 -12.715 2.876
243 HE3 MET 32 3HE MET 32 -0.667 -13.596 2.723
244 H GLY 33 HN GLY 33 -0.092 -14.476 -4.444
245 HA2 GLY 33 1HA GLY 33 -1.326 -14.688 -6.369
246 HA3 GLY 33 2HA GLY 33 -2.359 -15.802 -5.488
247 H TYR 34 HN TYR 34 -1.860 -12.532 -4.391
248 HA TYR 34 HA TYR 34 -4.448 -11.854 -3.963
249 HB2 TYR 34 2HB TYR 34 -1.974 -10.438 -4.200
250 HB3 TYR 34 3HB TYR 34 -3.234 -9.505 -5.000
251 HD1 TYR 34 1HD TYR 34 -2.278 -11.091 -1.792
252 HD2 TYR 34 2HD TYR 34 -4.857 -8.329 -3.745
253 HE1 TYR 34 1HE TYR 34 -3.047 -10.271 0.397
254 HE2 TYR 34 2HE TYR 34 -5.632 -7.499 -1.563
255 HH TYR 34 HH TYR 34 -5.465 -8.986 1.133
256 H ILE 35 HN ILE 35 -2.707 -10.845 -6.911
257 HA ILE 35 HA ILE 35 -4.821 -9.836 -8.337
258 HB ILE 35 HB ILE 35 -3.579 -10.412 -10.396
259 HG12 ILE 35 2HG1 ILE 35 -2.345 -12.339 -8.582
260 HG13 ILE 35 3HG1 ILE 35 -2.405 -12.331 -10.342
261 HG21 ILE 35 1HG2 ILE 35 -1.701 -9.424 -8.263
262 HG22 ILE 35 2HG2 ILE 35 -1.715 -9.004 -9.976
263 HG23 ILE 35 3HG2 ILE 35 -3.016 -8.452 -8.922
264 HD11 ILE 35 1HD1 ILE 35 -0.129 -12.258 -9.722
265 HD12 ILE 35 2HD1 ILE 35 -0.551 -10.641 -10.287
266 HD13 ILE 35 3HD1 ILE 35 -0.416 -10.963 -8.558
267 H GLN 36 HN GLN 36 -6.483 -10.622 -9.519
268 HA GLN 36 HA GLN 36 -6.780 -13.551 -9.633
269 HB2 GLN 36 2HB GLN 36 -8.892 -11.421 -9.282
270 HB3 GLN 36 3HB GLN 36 -9.252 -13.112 -9.604
271 HG2 GLN 36 2HG GLN 36 -8.695 -13.779 -7.512
272 HG3 GLN 36 3HG GLN 36 -7.478 -12.520 -7.312
273 HE21 GLN 36 1HE2 GLN 36 -10.730 -13.438 -6.802
274 HE22 GLN 36 2HE2 GLN 36 -11.251 -12.000 -5.999
275 H GLY 37 HN GLY 37 -8.447 -10.798 -11.166
276 HA2 GLY 37 1HA GLY 37 -8.785 -12.162 -13.629
277 HA3 GLY 37 2HA GLY 37 -9.043 -10.445 -13.357
278 H ASP 38 HN ASP 38 -8.114 -9.847 -15.316
279 HA ASP 38 HA ASP 38 -5.200 -9.819 -15.283
280 HB2 ASP 38 2HB ASP 38 -5.411 -11.685 -16.670
281 HB3 ASP 38 3HB ASP 38 -6.877 -11.074 -17.433
282 H SER 39 HN SER 39 -4.439 -7.875 -15.814
283 HA SER 39 HA SER 39 -6.141 -6.088 -17.417
284 HB2 SER 39 2HB SER 39 -4.450 -5.029 -15.168
285 HB3 SER 39 3HB SER 39 -5.838 -4.281 -15.958
286 HG SER 39 HG SER 39 -7.191 -5.622 -14.865
287 H ALA 40 HN ALA 40 -4.792 -4.081 -18.095
288 HA ALA 40 HA ALA 40 -2.126 -5.009 -18.946
289 HB1 ALA 40 1HB ALA 40 -2.598 -3.362 -20.915
290 HB2 ALA 40 2HB ALA 40 -3.280 -4.989 -20.940
291 HB3 ALA 40 3HB ALA 40 -4.286 -3.619 -20.468
292 H ALA 41 HN ALA 41 -0.469 -3.788 -18.328
293 HA ALA 41 HA ALA 41 -0.725 -0.921 -18.063
294 HB1 ALA 41 1HB ALA 41 -1.493 -1.413 -15.898
295 HB2 ALA 41 2HB ALA 41 -0.297 -2.690 -15.674
296 HB3 ALA 41 3HB ALA 41 0.210 -1.002 -15.700
297 H GLU 42 HN GLU 42 1.631 -2.569 -16.151
298 HA GLU 42 HA GLU 42 3.927 -2.321 -16.243
299 HB2 GLU 42 2HB GLU 42 2.917 -4.263 -18.052
300 HB3 GLU 42 3HB GLU 42 4.295 -3.493 -18.826
301 HG2 GLU 42 2HG GLU 42 5.662 -3.986 -16.848
302 HG3 GLU 42 3HG GLU 42 4.281 -4.802 -16.116
303 H VAL 43 HN VAL 43 4.152 -0.064 -16.436
304 HA VAL 43 HA VAL 43 4.967 0.814 -19.126
305 HB VAL 43 HB VAL 43 3.343 2.380 -17.121
306 HG11 VAL 43 1HG1 VAL 43 5.041 3.273 -19.391
307 HG12 VAL 43 2HG1 VAL 43 3.496 4.087 -19.136
308 HG13 VAL 43 3HG1 VAL 43 4.705 4.062 -17.851
309 HG21 VAL 43 1HG2 VAL 43 2.103 0.836 -18.594
310 HG22 VAL 43 2HG2 VAL 43 1.707 2.528 -18.899
311 HG23 VAL 43 3HG2 VAL 43 2.781 1.662 -19.998
312 H THR 44 HN THR 44 5.262 1.268 -15.635
313 HA THR 44 HA THR 44 8.067 1.600 -15.749
314 HB THR 44 HB THR 44 7.680 3.802 -16.592
315 HG1 THR 44 1HG THR 44 9.217 3.604 -14.845
316 HG21 THR 44 1HG2 THR 44 5.247 3.721 -15.498
317 HG22 THR 44 2HG2 THR 44 6.033 5.237 -15.940
318 HG23 THR 44 3HG2 THR 44 6.062 4.685 -14.267
319 H GLU 45 HN GLU 45 5.163 2.489 -13.902
320 HA GLU 45 HA GLU 45 4.556 2.059 -11.750
321 HB2 GLU 45 2HB GLU 45 6.941 0.346 -11.242
322 HB3 GLU 45 3HB GLU 45 5.270 0.116 -10.746
323 HG2 GLU 45 2HG GLU 45 5.130 -1.400 -12.353
324 HG3 GLU 45 3HG GLU 45 5.155 -0.057 -13.495
325 H MET 46 HN MET 46 4.800 3.885 -10.620
326 HA MET 46 HA MET 46 7.480 4.491 -9.553
327 HB2 MET 46 2HB MET 46 5.416 6.240 -10.777
328 HB3 MET 46 3HB MET 46 6.294 6.891 -9.401
329 HG2 MET 46 2HG MET 46 8.057 5.644 -11.333
330 HG3 MET 46 3HG MET 46 7.093 6.939 -12.039
331 HE1 MET 46 1HE MET 46 7.984 9.975 -11.002
332 HE2 MET 46 2HE MET 46 6.569 8.948 -10.770
333 HE3 MET 46 3HE MET 46 7.441 9.577 -9.371
334 H ALA 47 HN ALA 47 4.600 6.242 -8.679
335 HA ALA 47 HA ALA 47 3.530 4.902 -6.585
336 HB1 ALA 47 1HB ALA 47 6.196 6.003 -5.863
337 HB2 ALA 47 2HB ALA 47 4.906 6.072 -4.663
338 HB3 ALA 47 3HB ALA 47 5.403 4.519 -5.334
339 H HIS 48 HN HIS 48 5.055 7.874 -5.612
340 HA HIS 48 HA HIS 48 2.620 9.192 -5.143
341 HB2 HIS 48 2HB HIS 48 5.127 9.633 -4.322
342 HB3 HIS 48 3HB HIS 48 5.062 10.825 -5.618
343 HD1 HIS 48 1HD HIS 48 1.778 10.998 -4.690
344 HD2 HIS 48 2HD HIS 48 5.260 12.059 -2.688
345 HE1 HIS 48 1HE HIS 48 1.072 12.677 -2.955
346 H THR 49 HN THR 49 3.233 11.801 -6.212
347 HA THR 49 HA THR 49 3.066 13.074 -8.121
348 HB THR 49 HB THR 49 2.808 10.750 -9.958
349 HG1 THR 49 1HG THR 49 4.576 9.872 -9.208
350 HG21 THR 49 1HG2 THR 49 4.706 12.340 -10.994
351 HG22 THR 49 2HG2 THR 49 3.868 13.514 -9.979
352 HG23 THR 49 3HG2 THR 49 2.983 12.631 -11.222
353 H GLU 50 HN GLU 50 1.447 13.354 -10.002
354 HA GLU 50 HA GLU 50 -1.175 12.954 -8.913
355 HB2 GLU 50 2HB GLU 50 -0.101 14.286 -11.381
356 HB3 GLU 50 3HB GLU 50 -1.828 14.033 -11.181
357 HG2 GLU 50 2HG GLU 50 -1.617 16.136 -10.332
358 HG3 GLU 50 3HG GLU 50 -1.417 15.181 -8.865
359 H THR 51 HN THR 51 -2.139 11.040 -9.050
360 HA THR 51 HA THR 51 -2.741 8.965 -9.816
361 HB THR 51 HB THR 51 -3.451 9.218 -12.402
362 HG1 THR 51 1HG THR 51 -4.241 11.695 -11.995
363 HG21 THR 51 1HG2 THR 51 -4.972 8.713 -10.569
364 HG22 THR 51 2HG2 THR 51 -5.651 9.976 -11.594
365 HG23 THR 51 3HG2 THR 51 -4.924 10.394 -10.043
366 H GLY 52 HN GLY 52 -1.707 9.855 -13.033
367 HA2 GLY 52 1HA GLY 52 -0.125 8.962 -14.435
368 HA3 GLY 52 2HA GLY 52 0.888 8.795 -13.007
369 H TRP 53 HN TRP 53 0.516 6.864 -11.654
370 HA TRP 53 HA TRP 53 0.241 4.538 -13.355
371 HB2 TRP 53 2HB TRP 53 1.994 4.976 -11.454
372 HB3 TRP 53 3HB TRP 53 0.716 4.375 -10.402
373 HD1 TRP 53 1HD TRP 53 2.534 3.173 -13.624
374 HE1 TRP 53 1HE TRP 53 2.837 0.623 -13.451
375 HE3 TRP 53 3HE TRP 53 0.165 2.378 -9.165
376 HZ2 TRP 53 2HZ TRP 53 2.159 -1.451 -11.660
377 HZ3 TRP 53 3HZ TRP 53 0.035 0.082 -8.291
378 HH2 TRP 53 2HH TRP 53 1.011 -1.792 -9.515
379 H SER 54 HN SER 54 -1.415 3.131 -13.383
380 HA SER 54 HA SER 54 -3.854 3.860 -12.046
381 HB2 SER 54 2HB SER 54 -4.055 1.278 -13.256
382 HB3 SER 54 3HB SER 54 -4.754 2.802 -13.802
383 HG SER 54 HG SER 54 -3.407 2.030 -15.406
384 H CYS 55 HN CYS 55 -5.040 2.575 -10.585
385 HA CYS 55 HA CYS 55 -3.807 0.239 -9.408
386 HB2 CYS 55 2HB CYS 55 -4.462 2.420 -7.470
387 HB3 CYS 55 3HB CYS 55 -3.349 1.066 -7.296
388 H HIS 56 HN HIS 56 -5.209 -0.809 -7.821
389 HA HIS 56 HA HIS 56 -7.705 -1.360 -8.573
390 HB2 HIS 56 2HB HIS 56 -6.644 -1.111 -5.765
391 HB3 HIS 56 3HB HIS 56 -8.264 -1.715 -6.095
392 HD1 HIS 56 1HD HIS 56 -5.685 -3.293 -4.903
393 HD2 HIS 56 2HD HIS 56 -7.347 -3.622 -8.696
394 HE1 HIS 56 1HE HIS 56 -4.992 -5.558 -5.746
395 H TYR 57 HN TYR 57 -6.995 1.235 -6.234
396 HA TYR 57 HA TYR 57 -9.533 2.505 -7.030
397 HB2 TYR 57 2HB TYR 57 -8.303 2.868 -4.310
398 HB3 TYR 57 3HB TYR 57 -9.960 3.176 -4.818
399 HD1 TYR 57 1HD TYR 57 -11.549 1.688 -4.074
400 HD2 TYR 57 2HD TYR 57 -7.577 0.291 -4.687
401 HE1 TYR 57 1HE TYR 57 -12.214 -0.538 -3.267
402 HE2 TYR 57 2HE TYR 57 -8.231 -1.939 -3.883
403 HH TYR 57 HH TYR 57 -10.201 -3.293 -3.609
404 H CYS 58 HN CYS 58 -7.374 3.123 -8.493
405 HA CYS 58 HA CYS 58 -6.084 5.481 -7.385
406 HB2 CYS 58 2HB CYS 58 -5.088 3.608 -8.991
407 HB3 CYS 58 3HB CYS 58 -5.727 4.677 -10.235
408 H ASP 59 HN ASP 59 -7.677 4.853 -10.513
409 HA ASP 59 HA ASP 59 -9.534 6.986 -10.233
410 HB2 ASP 59 2HB ASP 59 -7.529 8.355 -10.568
411 HB3 ASP 59 3HB ASP 59 -7.167 7.479 -12.053
412 H ASN 60 HN ASN 60 -10.444 4.742 -10.807
413 HA ASN 60 HA ASN 60 -10.646 4.535 -13.741
414 HB2 ASN 60 2HB ASN 60 -10.668 2.373 -11.637
415 HB3 ASN 60 3HB ASN 60 -11.260 2.101 -13.274
416 HD21 ASN 60 1HD2 ASN 60 -8.455 3.713 -11.806
417 HD22 ASN 60 2HD2 ASN 60 -7.275 2.931 -12.798
Start of MODEL 11
1 H1 GLU 1 HN GLU 1 3.829 4.432 6.546
2 HA GLU 1 HA GLU 1 1.516 2.935 5.585
3 HB2 GLU 1 2HB GLU 1 3.313 4.316 3.604
4 HB3 GLU 1 3HB GLU 1 1.761 3.542 3.315
5 HG2 GLU 1 2HG GLU 1 1.053 5.678 3.286
6 HG3 GLU 1 3HG GLU 1 0.970 5.425 5.029
7 H MET 2 HN MET 2 2.058 0.866 5.482
8 HA MET 2 HA MET 2 4.678 0.092 4.474
9 HB2 MET 2 2HB MET 2 3.753 -1.233 6.991
10 HB3 MET 2 3HB MET 2 5.378 -1.105 6.332
11 HG2 MET 2 2HG MET 2 5.203 1.386 6.834
12 HG3 MET 2 3HG MET 2 3.792 0.967 7.803
13 HE1 MET 2 1HE MET 2 8.131 0.683 8.880
14 HE2 MET 2 2HE MET 2 7.733 -0.313 7.480
15 HE3 MET 2 3HE MET 2 7.356 1.410 7.472
16 H CYS 3 HN CYS 3 4.438 -1.500 3.055
17 HA CYS 3 HA CYS 3 2.210 -2.600 2.097
18 HB2 CYS 3 2HB CYS 3 4.479 -3.079 1.232
19 HB3 CYS 3 3HB CYS 3 4.739 -4.193 2.571
20 H ASP 4 HN ASP 4 0.529 -3.645 2.909
21 HA ASP 4 HA ASP 4 0.485 -4.694 5.537
22 HB2 ASP 4 2HB ASP 4 -1.457 -3.804 4.024
23 HB3 ASP 4 3HB ASP 4 -1.544 -5.475 3.475
24 H VAL 5 HN VAL 5 1.877 -5.934 2.822
25 HA VAL 5 HA VAL 5 1.454 -8.720 3.686
26 HB VAL 5 HB VAL 5 2.323 -7.706 0.975
27 HG11 VAL 5 1HG1 VAL 5 1.858 -10.173 0.394
28 HG12 VAL 5 2HG1 VAL 5 3.378 -9.769 1.195
29 HG13 VAL 5 3HG1 VAL 5 2.045 -10.460 2.124
30 HG21 VAL 5 1HG2 VAL 5 0.057 -7.271 1.022
31 HG22 VAL 5 2HG2 VAL 5 0.088 -8.915 0.385
32 HG23 VAL 5 3HG2 VAL 5 -0.291 -8.636 2.084
33 H CYS 6 HN CYS 6 3.584 -6.265 3.975
34 HA CYS 6 HA CYS 6 5.785 -8.091 4.509
35 HB2 CYS 6 2HB CYS 6 6.084 -5.711 2.664
36 HB3 CYS 6 3HB CYS 6 7.406 -6.710 3.262
37 H GLU 7 HN GLU 7 4.826 -4.663 4.408
38 HA GLU 7 HA GLU 7 4.763 -3.131 6.127
39 HB2 GLU 7 2HB GLU 7 6.338 -4.943 7.920
40 HB3 GLU 7 3HB GLU 7 5.139 -3.729 8.346
41 HG2 GLU 7 2HG GLU 7 3.775 -5.605 6.794
42 HG3 GLU 7 3HG GLU 7 4.807 -6.541 7.873
43 H VAL 8 HN VAL 8 6.264 -2.194 4.514
44 HA VAL 8 HA VAL 8 8.649 -1.291 5.799
45 HB VAL 8 HB VAL 8 9.753 -2.167 3.377
46 HG11 VAL 8 1HG1 VAL 8 11.256 -3.425 4.807
47 HG12 VAL 8 2HG1 VAL 8 10.901 -1.856 5.531
48 HG13 VAL 8 3HG1 VAL 8 10.113 -3.310 6.145
49 HG21 VAL 8 1HG2 VAL 8 9.436 -4.539 3.337
50 HG22 VAL 8 2HG2 VAL 8 8.438 -4.483 4.790
51 HG23 VAL 8 3HG2 VAL 8 7.845 -3.778 3.286
52 H TRP 9 HN TRP 9 9.015 0.736 5.168
53 HA TRP 9 HA TRP 9 8.299 1.558 2.454
54 HB2 TRP 9 2HB TRP 9 6.335 2.269 3.479
55 HB3 TRP 9 3HB TRP 9 7.146 2.654 4.994
56 HD1 TRP 9 1HD TRP 9 7.387 5.158 5.415
57 HE1 TRP 9 1HE TRP 9 7.487 7.279 3.960
58 HE3 TRP 9 3HE TRP 9 7.198 2.983 0.792
59 HZ2 TRP 9 2HZ TRP 9 7.486 7.943 1.216
60 HZ3 TRP 9 3HZ TRP 9 7.252 4.432 -1.197
61 HH2 TRP 9 2HH TRP 9 7.392 6.861 -0.986
62 H THR 10 HN THR 10 9.299 3.550 1.785
63 HA THR 10 HA THR 10 11.381 4.639 3.506
64 HB THR 10 HB THR 10 12.621 4.295 0.976
65 HG1 THR 10 1HG THR 10 12.373 2.200 0.534
66 HG21 THR 10 1HG2 THR 10 14.344 3.248 2.249
67 HG22 THR 10 2HG2 THR 10 13.216 2.814 3.534
68 HG23 THR 10 3HG2 THR 10 13.645 4.504 3.268
69 H ALA 11 HN ALA 11 11.047 4.773 -0.015
70 HA ALA 11 HA ALA 11 9.556 7.121 -0.213
71 HB1 ALA 11 1HB ALA 11 12.189 8.109 -0.877
72 HB2 ALA 11 2HB ALA 11 10.941 8.825 0.144
73 HB3 ALA 11 3HB ALA 11 12.078 7.662 0.825
74 H GLU 12 HN GLU 12 12.040 5.038 -1.493
75 HA GLU 12 HA GLU 12 12.418 5.769 -4.054
76 HB2 GLU 12 2HB GLU 12 11.632 2.938 -3.377
77 HB3 GLU 12 3HB GLU 12 12.730 3.480 -4.637
78 HG2 GLU 12 2HG GLU 12 14.130 4.423 -2.679
79 HG3 GLU 12 3HG GLU 12 13.176 3.320 -1.690
80 H SER 13 HN SER 13 9.794 3.474 -3.318
81 HA SER 13 HA SER 13 7.696 4.881 -4.463
82 HB2 SER 13 2HB SER 13 9.442 4.235 -6.466
83 HB3 SER 13 3HB SER 13 8.338 2.860 -6.509
84 HG SER 13 HG SER 13 7.115 4.170 -7.607
85 H LEU 14 HN LEU 14 6.262 3.952 -3.142
86 HA LEU 14 HA LEU 14 6.273 1.058 -2.773
87 HB2 LEU 14 2HB LEU 14 5.618 3.279 -1.153
88 HB3 LEU 14 3HB LEU 14 4.138 2.352 -1.386
89 HG LEU 14 HG LEU 14 6.731 1.327 -0.233
90 HD11 LEU 14 1HD1 LEU 14 5.675 1.311 1.850
91 HD12 LEU 14 2HD1 LEU 14 4.075 1.535 1.144
92 HD13 LEU 14 3HD1 LEU 14 5.230 2.867 1.148
93 HD21 LEU 14 1HD2 LEU 14 4.099 -0.099 -0.594
94 HD22 LEU 14 2HD2 LEU 14 5.558 -0.754 0.148
95 HD23 LEU 14 3HD2 LEU 14 5.540 -0.367 -1.573
96 H PHE 15 HN PHE 15 3.857 0.210 -2.459
97 HA PHE 15 HA PHE 15 2.144 1.200 -4.610
98 HB2 PHE 15 2HB PHE 15 3.371 -1.536 -4.468
99 HB3 PHE 15 3HB PHE 15 1.802 -1.308 -5.234
100 HD1 PHE 15 1HD PHE 15 5.320 -0.133 -5.324
101 HD2 PHE 15 2HD PHE 15 1.659 -0.600 -7.443
102 HE1 PHE 15 1HE PHE 15 6.443 0.547 -7.405
103 HE2 PHE 15 2HE PHE 15 2.776 0.078 -9.528
104 HZ PHE 15 HZ PHE 15 5.170 0.652 -9.511
105 HA PRO 16 HA PRO 16 0.306 0.101 -5.654
106 HB2 PRO 16 2HB PRO 16 -2.129 1.301 -5.636
107 HB3 PRO 16 3HB PRO 16 -1.921 -0.452 -5.551
108 HG2 PRO 16 2HG PRO 16 -2.440 1.502 -3.344
109 HG3 PRO 16 3HG PRO 16 -3.158 -0.097 -3.614
110 HD2 PRO 16 2HD PRO 16 -1.161 0.322 -1.833
111 HD3 PRO 16 3HD PRO 16 -1.338 -1.202 -2.727
112 H CYS 17 HN CYS 17 -0.889 2.594 -3.391
113 HA CYS 17 HA CYS 17 0.977 4.527 -4.437
114 HB2 CYS 17 2HB CYS 17 -1.908 5.323 -4.624
115 HB3 CYS 17 3HB CYS 17 -0.507 6.028 -5.425
116 H ARG 18 HN ARG 18 -2.198 4.759 -2.836
117 HA ARG 18 HA ARG 18 -1.565 4.871 -0.224
118 HB2 ARG 18 2HB ARG 18 -0.069 6.533 -0.003
119 HB3 ARG 18 3HB ARG 18 -0.416 7.170 -1.605
120 HG2 ARG 18 2HG ARG 18 -0.904 8.847 0.038
121 HG3 ARG 18 3HG ARG 18 -2.415 8.292 -0.687
122 HD2 ARG 18 2HD ARG 18 -3.200 7.658 1.294
123 HD3 ARG 18 3HD ARG 18 -1.762 6.686 1.604
124 HE ARG 18 HE ARG 18 -2.340 9.299 2.638
125 HH11 ARG 18 1HH1 ARG 18 0.193 7.061 1.804
126 HH12 ARG 18 2HH1 ARG 18 1.345 7.756 2.896
127 HH21 ARG 18 1HH2 ARG 18 -0.832 10.223 4.078
128 HH22 ARG 18 2HH2 ARG 18 0.760 9.554 4.189
129 H VAL 19 HN VAL 19 -3.192 6.704 -2.755
130 HA VAL 19 HA VAL 19 -5.374 7.493 -1.047
131 HB VAL 19 HB VAL 19 -5.060 7.649 -4.046
132 HG11 VAL 19 1HG1 VAL 19 -7.432 7.538 -3.234
133 HG12 VAL 19 2HG1 VAL 19 -7.126 9.033 -2.347
134 HG13 VAL 19 3HG1 VAL 19 -7.012 9.012 -4.108
135 HG21 VAL 19 1HG2 VAL 19 -5.100 10.040 -2.291
136 HG22 VAL 19 2HG2 VAL 19 -3.644 9.045 -2.283
137 HG23 VAL 19 3HG2 VAL 19 -4.221 9.751 -3.793
138 H CYS 20 HN CYS 20 -5.128 5.383 -3.915
139 HA CYS 20 HA CYS 20 -7.539 4.336 -4.222
140 HB2 CYS 20 2HB CYS 20 -6.133 1.983 -4.168
141 HB3 CYS 20 3HB CYS 20 -6.188 3.096 -5.532
142 H THR 21 HN THR 21 -5.600 2.111 -2.341
143 HA THR 21 HA THR 21 -7.472 2.233 -0.103
144 HB THR 21 HB THR 21 -8.285 0.522 -1.815
145 HG1 THR 21 1HG THR 21 -8.387 -1.125 0.055
146 HG21 THR 21 1HG2 THR 21 -6.895 -1.067 -2.524
147 HG22 THR 21 2HG2 THR 21 -6.653 -1.618 -0.866
148 HG23 THR 21 3HG2 THR 21 -5.609 -0.369 -1.542
149 H ARG 22 HN ARG 22 -6.481 -0.407 0.819
150 HA ARG 22 HA ARG 22 -4.494 0.363 2.547
151 HB2 ARG 22 2HB ARG 22 -5.799 -2.046 1.884
152 HB3 ARG 22 3HB ARG 22 -4.076 -2.389 1.814
153 HG2 ARG 22 2HG ARG 22 -3.833 -1.476 4.092
154 HG3 ARG 22 3HG ARG 22 -5.581 -1.239 4.154
155 HD2 ARG 22 2HD ARG 22 -5.192 -3.890 3.333
156 HD3 ARG 22 3HD ARG 22 -4.038 -3.618 4.638
157 HE ARG 22 HE ARG 22 -6.409 -2.594 5.556
158 HH11 ARG 22 1HH1 ARG 22 -5.310 -5.685 4.388
159 HH12 ARG 22 2HH1 ARG 22 -6.421 -6.593 5.360
160 HH21 ARG 22 1HH2 ARG 22 -7.876 -3.779 6.839
161 HH22 ARG 22 2HH2 ARG 22 -7.881 -5.508 6.752
162 H VAL 23 HN VAL 23 -2.255 -0.937 2.546
163 HA VAL 23 HA VAL 23 -0.893 -0.084 0.086
164 HB VAL 23 HB VAL 23 1.179 -0.113 1.437
165 HG11 VAL 23 1HG1 VAL 23 -0.406 1.600 3.155
166 HG12 VAL 23 2HG1 VAL 23 0.807 2.024 1.946
167 HG13 VAL 23 3HG1 VAL 23 -0.867 1.756 1.460
168 HG21 VAL 23 1HG2 VAL 23 0.686 -1.760 3.085
169 HG22 VAL 23 2HG2 VAL 23 0.911 -0.229 3.931
170 HG23 VAL 23 3HG2 VAL 23 -0.715 -0.855 3.659
171 H PHE 24 HN PHE 24 -0.087 -1.555 -1.253
172 HA PHE 24 HA PHE 24 0.858 -4.112 -0.250
173 HB2 PHE 24 2HB PHE 24 -0.533 -5.073 -2.353
174 HB3 PHE 24 3HB PHE 24 -1.158 -5.060 -0.707
175 HD1 PHE 24 1HD PHE 24 -2.783 -3.351 -0.013
176 HD2 PHE 24 2HD PHE 24 -1.459 -3.682 -4.045
177 HE1 PHE 24 1HE PHE 24 -4.693 -1.984 -0.750
178 HE2 PHE 24 2HE PHE 24 -3.366 -2.318 -4.787
179 HZ PHE 24 HZ PHE 24 -4.986 -1.465 -3.140
180 H HIS 25 HN HIS 25 2.499 -4.947 -1.444
181 HA HIS 25 HA HIS 25 3.799 -3.273 -3.317
182 HB2 HIS 25 2HB HIS 25 4.239 -6.110 -2.417
183 HB3 HIS 25 3HB HIS 25 5.221 -5.395 -3.693
184 HD2 HIS 25 2HD HIS 25 5.066 -2.443 -1.718
185 HE1 HIS 25 1HE HIS 25 7.847 -4.785 0.467
186 HE2 HIS 25 2HE HIS 25 6.849 -2.494 0.155
187 H ASP 26 HN ASP 26 4.578 -4.239 -5.484
188 HA ASP 26 HA ASP 26 2.230 -4.707 -7.075
189 HB2 ASP 26 2HB ASP 26 4.484 -3.382 -7.606
190 HB3 ASP 26 3HB ASP 26 4.955 -4.951 -8.254
191 H GLY 27 HN GLY 27 4.889 -6.610 -5.845
192 HA2 GLY 27 1HA GLY 27 4.142 -8.909 -7.484
193 HA3 GLY 27 2HA GLY 27 5.521 -8.809 -6.398
194 H CYS 28 HN CYS 28 3.612 -7.680 -4.305
195 HA CYS 28 HA CYS 28 3.072 -10.165 -3.023
196 HB2 CYS 28 2HB CYS 28 2.618 -7.283 -2.371
197 HB3 CYS 28 3HB CYS 28 1.752 -8.504 -1.443
198 H LEU 29 HN LEU 29 1.056 -7.722 -4.602
199 HA LEU 29 HA LEU 29 -1.459 -8.677 -3.973
200 HB2 LEU 29 2HB LEU 29 -0.424 -7.369 -6.474
201 HB3 LEU 29 3HB LEU 29 -2.130 -7.730 -6.226
202 HG LEU 29 HG LEU 29 -0.506 -5.946 -4.417
203 HD11 LEU 29 1HD1 LEU 29 -0.704 -4.315 -5.901
204 HD12 LEU 29 2HD1 LEU 29 -2.456 -4.516 -5.896
205 HD13 LEU 29 3HD1 LEU 29 -1.467 -5.427 -7.038
206 HD21 LEU 29 1HD2 LEU 29 -2.844 -7.211 -3.888
207 HD22 LEU 29 2HD2 LEU 29 -3.429 -5.705 -4.597
208 HD23 LEU 29 3HD2 LEU 29 -2.366 -5.664 -3.189
209 H ARG 30 HN ARG 30 0.892 -9.956 -6.199
210 HA ARG 30 HA ARG 30 -1.032 -11.850 -7.310
211 HB2 ARG 30 2HB ARG 30 1.903 -11.487 -7.945
212 HB3 ARG 30 3HB ARG 30 0.767 -12.497 -8.829
213 HG2 ARG 30 2HG ARG 30 -0.006 -10.777 -10.016
214 HG3 ARG 30 3HG ARG 30 -0.107 -9.730 -8.600
215 HD2 ARG 30 2HD ARG 30 1.548 -8.619 -9.666
216 HD3 ARG 30 3HD ARG 30 2.557 -9.837 -8.886
217 HE ARG 30 HE ARG 30 1.926 -11.015 -11.219
218 HH11 ARG 30 1HH1 ARG 30 3.168 -7.858 -10.441
219 HH12 ARG 30 2HH1 ARG 30 4.045 -7.693 -11.926
220 HH21 ARG 30 1HH2 ARG 30 3.077 -10.811 -13.178
221 HH22 ARG 30 2HH2 ARG 30 3.992 -9.374 -13.483
222 H ARG 31 HN ARG 31 1.833 -11.751 -5.266
223 HA ARG 31 HA ARG 31 2.294 -14.508 -5.059
224 HB2 ARG 31 2HB ARG 31 3.217 -12.101 -3.766
225 HB3 ARG 31 3HB ARG 31 2.960 -13.371 -2.575
226 HG2 ARG 31 2HG ARG 31 4.717 -14.564 -3.285
227 HG3 ARG 31 3HG ARG 31 4.381 -14.237 -4.986
228 HD2 ARG 31 2HD ARG 31 5.332 -11.991 -4.732
229 HD3 ARG 31 3HD ARG 31 5.681 -12.337 -3.038
230 HE ARG 31 HE ARG 31 6.913 -14.329 -4.495
231 HH11 ARG 31 1HH1 ARG 31 7.087 -10.859 -4.275
232 HH12 ARG 31 2HH1 ARG 31 8.761 -10.784 -4.713
233 HH21 ARG 31 1HH2 ARG 31 9.117 -14.244 -5.074
234 HH22 ARG 31 2HH2 ARG 31 9.915 -12.709 -5.169
235 H MET 32 HN MET 32 0.460 -12.349 -2.894
236 HA MET 32 HA MET 32 -0.432 -14.367 -1.151
237 HB2 MET 32 2HB MET 32 -1.788 -11.743 -1.795
238 HB3 MET 32 3HB MET 32 -2.059 -12.730 -0.365
239 HG2 MET 32 2HG MET 32 0.411 -11.192 -1.105
240 HG3 MET 32 3HG MET 32 -0.660 -10.934 0.270
241 HE1 MET 32 1HE MET 32 -0.989 -12.306 2.115
242 HE2 MET 32 2HE MET 32 -0.850 -14.031 1.774
243 HE3 MET 32 3HE MET 32 0.273 -13.260 2.896
244 H GLY 33 HN GLY 33 -1.182 -13.874 -4.362
245 HA2 GLY 33 1HA GLY 33 -2.607 -15.170 -5.675
246 HA3 GLY 33 2HA GLY 33 -3.372 -15.769 -4.211
247 H TYR 34 HN TYR 34 -3.325 -12.570 -3.742
248 HA TYR 34 HA TYR 34 -6.007 -12.111 -3.852
249 HB2 TYR 34 2HB TYR 34 -3.624 -10.333 -4.020
250 HB3 TYR 34 3HB TYR 34 -5.192 -9.628 -4.397
251 HD1 TYR 34 1HD TYR 34 -2.932 -9.850 -1.882
252 HD2 TYR 34 2HD TYR 34 -7.061 -10.617 -2.564
253 HE1 TYR 34 1HE TYR 34 -3.375 -9.569 0.521
254 HE2 TYR 34 2HE TYR 34 -7.516 -10.337 -0.164
255 HH TYR 34 HH TYR 34 -6.672 -9.772 1.817
256 H ILE 35 HN ILE 35 -3.684 -11.734 -6.485
257 HA ILE 35 HA ILE 35 -5.857 -11.906 -8.406
258 HB ILE 35 HB ILE 35 -5.078 -9.953 -9.696
259 HG12 ILE 35 2HG1 ILE 35 -3.758 -8.421 -7.753
260 HG13 ILE 35 3HG1 ILE 35 -2.982 -10.000 -7.701
261 HG21 ILE 35 1HG2 ILE 35 -6.943 -9.885 -7.972
262 HG22 ILE 35 2HG2 ILE 35 -5.789 -9.076 -6.912
263 HG23 ILE 35 3HG2 ILE 35 -6.245 -8.336 -8.445
264 HD11 ILE 35 1HD1 ILE 35 -1.862 -9.561 -9.554
265 HD12 ILE 35 2HD1 ILE 35 -3.347 -9.165 -10.419
266 HD13 ILE 35 3HD1 ILE 35 -2.504 -7.921 -9.497
267 H GLN 36 HN GLN 36 -4.915 -11.906 -10.705
268 HA GLN 36 HA GLN 36 -2.634 -13.720 -10.689
269 HB2 GLN 36 2HB GLN 36 -4.715 -13.016 -12.745
270 HB3 GLN 36 3HB GLN 36 -3.278 -13.937 -13.168
271 HG2 GLN 36 2HG GLN 36 -4.371 -15.766 -12.586
272 HG3 GLN 36 3HG GLN 36 -4.302 -15.208 -10.915
273 HE21 GLN 36 1HE2 GLN 36 -6.069 -13.766 -10.224
274 HE22 GLN 36 2HE2 GLN 36 -7.653 -14.059 -10.849
275 H GLY 37 HN GLY 37 -3.578 -10.557 -11.886
276 HA2 GLY 37 1HA GLY 37 -1.281 -9.232 -11.884
277 HA3 GLY 37 2HA GLY 37 -1.049 -10.238 -13.305
278 H ASP 38 HN ASP 38 -0.935 -7.593 -13.678
279 HA ASP 38 HA ASP 38 -3.274 -7.114 -15.336
280 HB2 ASP 38 2HB ASP 38 -3.566 -4.807 -14.462
281 HB3 ASP 38 3HB ASP 38 -3.937 -6.045 -13.264
282 H SER 39 HN SER 39 -0.248 -5.672 -14.135
283 HA SER 39 HA SER 39 1.077 -5.641 -16.572
284 HB2 SER 39 2HB SER 39 -0.928 -3.600 -16.407
285 HB3 SER 39 3HB SER 39 0.662 -2.839 -16.423
286 HG SER 39 HG SER 39 0.941 -4.549 -18.244
287 H ALA 40 HN ALA 40 2.740 -3.589 -16.529
288 HA ALA 40 HA ALA 40 3.743 -3.425 -13.763
289 HB1 ALA 40 1HB ALA 40 5.583 -3.532 -16.126
290 HB2 ALA 40 2HB ALA 40 5.932 -3.860 -14.428
291 HB3 ALA 40 3HB ALA 40 4.979 -5.007 -15.371
292 H ALA 41 HN ALA 41 6.013 -1.835 -14.518
293 HA ALA 41 HA ALA 41 5.688 0.386 -16.018
294 HB1 ALA 41 1HB ALA 41 3.958 0.519 -13.603
295 HB2 ALA 41 2HB ALA 41 4.774 1.990 -14.134
296 HB3 ALA 41 3HB ALA 41 3.681 1.143 -15.229
297 H GLU 42 HN GLU 42 7.624 1.308 -15.947
298 HA GLU 42 HA GLU 42 8.901 1.917 -13.423
299 HB2 GLU 42 2HB GLU 42 9.943 -0.176 -15.301
300 HB3 GLU 42 3HB GLU 42 11.061 0.780 -14.339
301 HG2 GLU 42 2HG GLU 42 9.730 0.059 -12.315
302 HG3 GLU 42 3HG GLU 42 8.927 -1.097 -13.376
303 H VAL 43 HN VAL 43 8.851 4.063 -14.012
304 HA VAL 43 HA VAL 43 10.582 4.798 -16.281
305 HB VAL 43 HB VAL 43 8.118 6.269 -15.334
306 HG11 VAL 43 1HG1 VAL 43 9.677 7.897 -16.050
307 HG12 VAL 43 2HG1 VAL 43 10.171 6.921 -17.436
308 HG13 VAL 43 3HG1 VAL 43 8.568 7.656 -17.399
309 HG21 VAL 43 1HG2 VAL 43 8.532 5.053 -18.045
310 HG22 VAL 43 2HG2 VAL 43 7.876 4.108 -16.709
311 HG23 VAL 43 3HG2 VAL 43 7.028 5.549 -17.270
312 H THR 44 HN THR 44 9.851 5.133 -12.961
313 HA THR 44 HA THR 44 12.223 6.657 -12.486
314 HB THR 44 HB THR 44 10.345 8.353 -13.142
315 HG1 THR 44 1HG THR 44 12.458 8.768 -12.105
316 HG21 THR 44 1HG2 THR 44 9.698 8.317 -10.238
317 HG22 THR 44 2HG2 THR 44 8.881 7.154 -11.283
318 HG23 THR 44 3HG2 THR 44 8.736 8.882 -11.603
319 H GLU 45 HN GLU 45 11.850 7.567 -9.973
320 HA GLU 45 HA GLU 45 10.644 5.408 -8.413
321 HB2 GLU 45 2HB GLU 45 13.092 5.988 -7.134
322 HB3 GLU 45 3HB GLU 45 12.598 4.475 -7.882
323 HG2 GLU 45 2HG GLU 45 14.696 5.114 -8.803
324 HG3 GLU 45 3HG GLU 45 13.465 5.324 -10.045
325 H MET 46 HN MET 46 9.124 6.763 -7.547
326 HA MET 46 HA MET 46 9.819 8.276 -5.290
327 HB2 MET 46 2HB MET 46 9.592 9.760 -7.852
328 HB3 MET 46 3HB MET 46 8.825 10.482 -6.443
329 HG2 MET 46 2HG MET 46 11.261 9.815 -5.446
330 HG3 MET 46 3HG MET 46 11.658 10.207 -7.116
331 HE1 MET 46 1HE MET 46 10.303 11.563 -3.681
332 HE2 MET 46 2HE MET 46 9.604 13.105 -4.174
333 HE3 MET 46 3HE MET 46 8.882 11.593 -4.727
334 H ALA 47 HN ALA 47 7.927 6.275 -6.170
335 HA ALA 47 HA ALA 47 5.659 5.822 -6.275
336 HB1 ALA 47 1HB ALA 47 5.624 5.504 -4.052
337 HB2 ALA 47 2HB ALA 47 6.410 7.046 -3.715
338 HB3 ALA 47 3HB ALA 47 4.677 6.993 -4.036
339 H HIS 48 HN HIS 48 5.018 8.787 -4.560
340 HA HIS 48 HA HIS 48 2.949 9.557 -6.309
341 HB2 HIS 48 2HB HIS 48 3.442 10.215 -3.815
342 HB3 HIS 48 3HB HIS 48 4.322 11.552 -4.546
343 HD1 HIS 48 1HD HIS 48 2.425 12.286 -6.828
344 HD2 HIS 48 2HD HIS 48 1.165 11.426 -2.964
345 HE1 HIS 48 1HE HIS 48 0.186 13.405 -6.587
346 H THR 49 HN THR 49 3.450 9.938 -8.395
347 HA THR 49 HA THR 49 5.327 12.138 -8.932
348 HB THR 49 HB THR 49 5.823 10.854 -11.136
349 HG1 THR 49 1HG THR 49 5.698 8.578 -10.861
350 HG21 THR 49 1HG2 THR 49 7.143 9.383 -8.964
351 HG22 THR 49 2HG2 THR 49 7.180 11.138 -8.790
352 HG23 THR 49 3HG2 THR 49 7.835 10.381 -10.241
353 H GLU 50 HN GLU 50 3.741 10.224 -11.386
354 HA GLU 50 HA GLU 50 1.509 12.016 -11.682
355 HB2 GLU 50 2HB GLU 50 3.518 13.197 -12.728
356 HB3 GLU 50 3HB GLU 50 3.486 11.939 -13.954
357 HG2 GLU 50 2HG GLU 50 1.017 12.614 -14.261
358 HG3 GLU 50 3HG GLU 50 1.481 14.085 -13.407
359 H THR 51 HN THR 51 3.407 10.027 -13.947
360 HA THR 51 HA THR 51 1.096 8.214 -14.168
361 HB THR 51 HB THR 51 2.491 8.229 -16.650
362 HG1 THR 51 1HG THR 51 1.409 10.764 -16.394
363 HG21 THR 51 1HG2 THR 51 0.305 7.631 -16.870
364 HG22 THR 51 2HG2 THR 51 0.136 9.346 -17.250
365 HG23 THR 51 3HG2 THR 51 -0.241 8.759 -15.631
366 H GLY 52 HN GLY 52 2.172 6.425 -15.984
367 HA2 GLY 52 1HA GLY 52 3.812 4.795 -16.279
368 HA3 GLY 52 2HA GLY 52 4.778 5.578 -15.037
369 H TRP 53 HN TRP 53 4.042 5.292 -12.779
370 HA TRP 53 HA TRP 53 3.571 2.534 -12.253
371 HB2 TRP 53 2HB TRP 53 3.826 3.090 -9.945
372 HB3 TRP 53 3HB TRP 53 4.962 4.098 -10.838
373 HD1 TRP 53 1HD TRP 53 2.914 6.394 -11.718
374 HE1 TRP 53 1HE TRP 53 2.047 8.043 -9.943
375 HE3 TRP 53 3HE TRP 53 3.794 3.607 -7.524
376 HZ2 TRP 53 2HZ TRP 53 1.774 8.150 -7.136
377 HZ3 TRP 53 3HZ TRP 53 3.201 4.556 -5.333
378 HH2 TRP 53 2HH TRP 53 2.213 6.780 -5.143
379 H SER 54 HN SER 54 1.617 1.705 -12.685
380 HA SER 54 HA SER 54 -0.753 3.176 -11.740
381 HB2 SER 54 2HB SER 54 -1.557 1.072 -13.451
382 HB3 SER 54 3HB SER 54 -1.601 2.805 -13.779
383 HG SER 54 HG SER 54 -0.336 1.987 -15.353
384 H CYS 55 HN CYS 55 -2.410 2.034 -10.669
385 HA CYS 55 HA CYS 55 -1.618 -0.597 -9.608
386 HB2 CYS 55 2HB CYS 55 -1.858 0.072 -7.470
387 HB3 CYS 55 3HB CYS 55 -1.692 1.700 -8.120
388 H HIS 56 HN HIS 56 -3.357 -1.995 -8.988
389 HA HIS 56 HA HIS 56 -5.290 -2.514 -10.744
390 HB2 HIS 56 2HB HIS 56 -5.132 -2.919 -7.809
391 HB3 HIS 56 3HB HIS 56 -6.711 -3.159 -8.551
392 HD1 HIS 56 1HD HIS 56 -6.376 -4.750 -10.915
393 HD2 HIS 56 2HD HIS 56 -3.802 -5.255 -7.693
394 HE1 HIS 56 1HE HIS 56 -5.384 -7.044 -11.200
395 H TYR 57 HN TYR 57 -6.724 -1.289 -7.799
396 HA TYR 57 HA TYR 57 -8.623 0.244 -9.362
397 HB2 TYR 57 2HB TYR 57 -8.740 0.395 -6.415
398 HB3 TYR 57 3HB TYR 57 -10.019 0.068 -7.579
399 HD1 TYR 57 1HD TYR 57 -7.411 -1.407 -5.481
400 HD2 TYR 57 2HD TYR 57 -10.477 -2.205 -8.322
401 HE1 TYR 57 1HE TYR 57 -7.320 -3.796 -4.900
402 HE2 TYR 57 2HE TYR 57 -10.395 -4.595 -7.748
403 HH TYR 57 HH TYR 57 -8.569 -6.186 -6.746
404 H CYS 58 HN CYS 58 -6.784 1.690 -10.056
405 HA CYS 58 HA CYS 58 -6.172 3.740 -8.043
406 HB2 CYS 58 2HB CYS 58 -4.460 2.477 -9.704
407 HB3 CYS 58 3HB CYS 58 -4.890 3.855 -10.712
408 H ASP 59 HN ASP 59 -5.472 5.576 -10.311
409 HA ASP 59 HA ASP 59 -8.170 6.294 -11.228
410 HB2 ASP 59 2HB ASP 59 -7.588 8.703 -10.778
411 HB3 ASP 59 3HB ASP 59 -7.818 7.718 -9.336
412 H ASN 60 HN ASN 60 -6.559 4.983 -12.891
413 HA ASN 60 HA ASN 60 -5.119 6.956 -14.506
414 HB2 ASN 60 2HB ASN 60 -5.259 3.961 -14.900
415 HB3 ASN 60 3HB ASN 60 -4.135 5.080 -15.663
416 HD21 ASN 60 1HD2 ASN 60 -4.627 2.974 -13.118
417 HD22 ASN 60 2HD2 ASN 60 -3.275 3.422 -12.142
Start of MODEL 12
1 H1 GLU 1 HN GLU 1 1.751 4.688 4.998
2 HA GLU 1 HA GLU 1 0.949 2.825 3.969
3 HB2 GLU 1 2HB GLU 1 2.065 4.416 1.693
4 HB3 GLU 1 3HB GLU 1 1.481 2.785 1.394
5 HG2 GLU 1 2HG GLU 1 -0.376 4.054 0.935
6 HG3 GLU 1 3HG GLU 1 -0.655 3.593 2.614
7 H MET 2 HN MET 2 1.784 0.921 4.487
8 HA MET 2 HA MET 2 4.333 0.123 3.269
9 HB2 MET 2 2HB MET 2 3.759 -0.803 6.040
10 HB3 MET 2 3HB MET 2 5.305 -0.527 5.247
11 HG2 MET 2 2HG MET 2 4.788 1.938 5.376
12 HG3 MET 2 3HG MET 2 3.444 1.509 6.431
13 HE1 MET 2 1HE MET 2 7.458 2.576 7.292
14 HE2 MET 2 2HE MET 2 7.789 0.934 6.740
15 HE3 MET 2 3HE MET 2 6.868 2.039 5.719
16 H CYS 3 HN CYS 3 4.207 -1.776 2.268
17 HA CYS 3 HA CYS 3 2.052 -3.222 1.682
18 HB2 CYS 3 2HB CYS 3 4.240 -3.771 0.775
19 HB3 CYS 3 3HB CYS 3 4.768 -4.381 2.341
20 H ASP 4 HN ASP 4 0.450 -4.000 2.871
21 HA ASP 4 HA ASP 4 0.563 -4.476 5.628
22 HB2 ASP 4 2HB ASP 4 -1.472 -4.149 3.992
23 HB3 ASP 4 3HB ASP 4 -1.432 -5.908 3.917
24 H VAL 5 HN VAL 5 1.679 -6.358 3.036
25 HA VAL 5 HA VAL 5 1.556 -8.857 4.553
26 HB VAL 5 HB VAL 5 2.514 -8.341 1.733
27 HG11 VAL 5 1HG1 VAL 5 3.678 -10.241 2.401
28 HG12 VAL 5 2HG1 VAL 5 2.345 -10.827 3.397
29 HG13 VAL 5 3HG1 VAL 5 2.232 -10.902 1.639
30 HG21 VAL 5 1HG2 VAL 5 -0.027 -9.623 2.733
31 HG22 VAL 5 2HG2 VAL 5 0.101 -8.014 2.022
32 HG23 VAL 5 3HG2 VAL 5 0.451 -9.440 1.045
33 H CYS 6 HN CYS 6 3.529 -6.263 4.443
34 HA CYS 6 HA CYS 6 5.787 -7.796 5.442
35 HB2 CYS 6 2HB CYS 6 6.045 -5.876 3.118
36 HB3 CYS 6 3HB CYS 6 7.401 -6.569 4.004
37 H GLU 7 HN GLU 7 5.041 -4.462 4.405
38 HA GLU 7 HA GLU 7 4.823 -2.552 5.675
39 HB2 GLU 7 2HB GLU 7 5.856 -3.950 8.116
40 HB3 GLU 7 3HB GLU 7 4.737 -2.601 8.003
41 HG2 GLU 7 2HG GLU 7 3.537 -4.789 6.686
42 HG3 GLU 7 3HG GLU 7 4.178 -5.381 8.218
43 H VAL 8 HN VAL 8 6.667 -2.106 4.228
44 HA VAL 8 HA VAL 8 8.878 -1.081 5.726
45 HB VAL 8 HB VAL 8 10.353 -2.484 3.859
46 HG11 VAL 8 1HG1 VAL 8 9.964 -3.511 6.646
47 HG12 VAL 8 2HG1 VAL 8 11.448 -3.390 5.697
48 HG13 VAL 8 3HG1 VAL 8 10.700 -1.934 6.358
49 HG21 VAL 8 1HG2 VAL 8 9.752 -4.838 4.179
50 HG22 VAL 8 2HG2 VAL 8 8.319 -4.349 5.085
51 HG23 VAL 8 3HG2 VAL 8 8.461 -3.945 3.374
52 H TRP 9 HN TRP 9 8.391 0.883 4.807
53 HA TRP 9 HA TRP 9 7.707 1.522 2.250
54 HB2 TRP 9 2HB TRP 9 7.715 3.407 3.534
55 HB3 TRP 9 3HB TRP 9 9.175 2.936 4.401
56 HD1 TRP 9 1HD TRP 9 11.449 3.912 3.561
57 HE1 TRP 9 1HE TRP 9 12.099 5.595 1.725
58 HE3 TRP 9 3HE TRP 9 6.978 4.190 1.096
59 HZ2 TRP 9 2HZ TRP 9 10.877 6.872 -0.476
60 HZ3 TRP 9 3HZ TRP 9 6.802 5.666 -0.864
61 HH2 TRP 9 2HH TRP 9 8.712 6.979 -1.633
62 H THR 10 HN THR 10 8.760 1.998 0.329
63 HA THR 10 HA THR 10 11.525 0.991 0.137
64 HB THR 10 HB THR 10 10.742 0.792 -2.406
65 HG1 THR 10 1HG THR 10 8.627 0.629 -2.643
66 HG21 THR 10 1HG2 THR 10 11.281 -0.965 -0.359
67 HG22 THR 10 2HG2 THR 10 11.009 -1.407 -2.044
68 HG23 THR 10 3HG2 THR 10 9.677 -1.467 -0.891
69 H ALA 11 HN ALA 11 9.847 2.549 -2.485
70 HA ALA 11 HA ALA 11 10.357 5.188 -2.251
71 HB1 ALA 11 1HB ALA 11 12.580 5.233 -1.825
72 HB2 ALA 11 2HB ALA 11 12.881 3.699 -2.641
73 HB3 ALA 11 3HB ALA 11 12.673 5.173 -3.586
74 H GLU 12 HN GLU 12 11.291 2.606 -4.523
75 HA GLU 12 HA GLU 12 10.928 3.901 -6.911
76 HB2 GLU 12 2HB GLU 12 10.401 1.046 -6.118
77 HB3 GLU 12 3HB GLU 12 10.173 1.595 -7.772
78 HG2 GLU 12 2HG GLU 12 12.638 2.526 -7.362
79 HG3 GLU 12 3HG GLU 12 12.659 1.167 -6.239
80 H SER 13 HN SER 13 8.479 1.488 -6.390
81 HA SER 13 HA SER 13 6.339 3.455 -6.288
82 HB2 SER 13 2HB SER 13 7.169 2.267 -8.752
83 HB3 SER 13 3HB SER 13 5.579 1.628 -8.333
84 HG SER 13 HG SER 13 4.945 3.866 -8.016
85 H LEU 14 HN LEU 14 5.471 2.668 -4.447
86 HA LEU 14 HA LEU 14 5.059 -0.195 -4.128
87 HB2 LEU 14 2HB LEU 14 5.890 1.278 -2.278
88 HB3 LEU 14 3HB LEU 14 4.296 2.029 -2.246
89 HG LEU 14 HG LEU 14 3.375 -0.286 -1.756
90 HD11 LEU 14 1HD1 LEU 14 5.628 -1.331 -2.480
91 HD12 LEU 14 2HD1 LEU 14 4.767 -2.014 -1.101
92 HD13 LEU 14 3HD1 LEU 14 6.143 -0.944 -0.837
93 HD21 LEU 14 1HD2 LEU 14 4.591 1.666 -0.073
94 HD22 LEU 14 2HD2 LEU 14 4.870 0.067 0.616
95 HD23 LEU 14 3HD2 LEU 14 3.226 0.602 0.270
96 H PHE 15 HN PHE 15 3.091 -1.206 -4.056
97 HA PHE 15 HA PHE 15 0.911 0.160 -5.369
98 HB2 PHE 15 2HB PHE 15 1.293 -2.679 -4.419
99 HB3 PHE 15 3HB PHE 15 -0.210 -2.110 -5.137
100 HD1 PHE 15 1HD PHE 15 -0.483 -2.727 -7.319
101 HD2 PHE 15 2HD PHE 15 3.429 -1.799 -5.923
102 HE1 PHE 15 1HE PHE 15 0.420 -3.173 -9.564
103 HE2 PHE 15 2HE PHE 15 4.339 -2.242 -8.165
104 HZ PHE 15 HZ PHE 15 2.834 -2.929 -9.990
105 HA PRO 16 HA PRO 16 -1.361 -0.541 -5.564
106 HB2 PRO 16 2HB PRO 16 -3.326 1.332 -5.488
107 HB3 PRO 16 3HB PRO 16 -3.524 -0.295 -4.827
108 HG2 PRO 16 2HG PRO 16 -2.888 2.262 -3.407
109 HG3 PRO 16 3HG PRO 16 -4.011 0.972 -2.938
110 HD2 PRO 16 2HD PRO 16 -1.537 1.213 -1.863
111 HD3 PRO 16 3HD PRO 16 -2.327 -0.360 -2.099
112 H CYS 17 HN CYS 17 -1.252 2.748 -4.171
113 HA CYS 17 HA CYS 17 0.675 3.607 -6.124
114 HB2 CYS 17 2HB CYS 17 -0.642 5.205 -7.286
115 HB3 CYS 17 3HB CYS 17 -1.563 3.704 -7.320
116 H ARG 18 HN ARG 18 -1.746 4.664 -3.751
117 HA ARG 18 HA ARG 18 0.170 5.863 -2.060
118 HB2 ARG 18 2HB ARG 18 0.338 7.958 -2.808
119 HB3 ARG 18 3HB ARG 18 -0.559 7.473 -4.241
120 HG2 ARG 18 2HG ARG 18 -1.805 9.249 -3.508
121 HG3 ARG 18 3HG ARG 18 -2.644 7.902 -2.734
122 HD2 ARG 18 2HD ARG 18 -2.402 9.523 -1.051
123 HD3 ARG 18 3HD ARG 18 -1.148 8.328 -0.724
124 HE ARG 18 HE ARG 18 0.387 9.982 -1.007
125 HH11 ARG 18 1HH1 ARG 18 -2.506 10.868 -2.729
126 HH12 ARG 18 2HH1 ARG 18 -1.899 12.418 -3.212
127 HH21 ARG 18 1HH2 ARG 18 1.196 12.018 -1.638
128 HH22 ARG 18 2HH2 ARG 18 0.207 13.070 -2.592
129 H VAL 19 HN VAL 19 -3.165 5.659 -3.134
130 HA VAL 19 HA VAL 19 -4.008 5.521 -0.332
131 HB VAL 19 HB VAL 19 -5.212 7.353 -2.403
132 HG11 VAL 19 1HG1 VAL 19 -6.555 5.865 -0.367
133 HG12 VAL 19 2HG1 VAL 19 -6.604 7.582 0.037
134 HG13 VAL 19 3HG1 VAL 19 -7.220 7.022 -1.519
135 HG21 VAL 19 1HG2 VAL 19 -4.765 8.320 0.316
136 HG22 VAL 19 2HG2 VAL 19 -3.288 7.817 -0.506
137 HG23 VAL 19 3HG2 VAL 19 -4.328 9.044 -1.231
138 H CYS 20 HN CYS 20 -6.358 5.909 -2.823
139 HA CYS 20 HA CYS 20 -7.921 4.517 -3.710
140 HB2 CYS 20 2HB CYS 20 -6.356 2.045 -3.496
141 HB3 CYS 20 3HB CYS 20 -7.059 2.814 -4.915
142 H THR 21 HN THR 21 -6.252 2.172 -1.625
143 HA THR 21 HA THR 21 -8.522 2.149 0.208
144 HB THR 21 HB THR 21 -7.789 -0.105 -1.599
145 HG1 THR 21 1HG THR 21 -9.744 0.721 -2.054
146 HG21 THR 21 1HG2 THR 21 -8.329 -0.357 1.311
147 HG22 THR 21 2HG2 THR 21 -7.367 -1.382 0.245
148 HG23 THR 21 3HG2 THR 21 -9.126 -1.501 0.233
149 H ARG 22 HN ARG 22 -5.661 0.134 -0.507
150 HA ARG 22 HA ARG 22 -4.595 0.807 2.140
151 HB2 ARG 22 2HB ARG 22 -5.882 -1.542 1.794
152 HB3 ARG 22 3HB ARG 22 -4.261 -2.010 1.298
153 HG2 ARG 22 2HG ARG 22 -3.403 -1.792 3.386
154 HG3 ARG 22 3HG ARG 22 -4.517 -0.496 3.829
155 HD2 ARG 22 2HD ARG 22 -6.344 -2.200 3.893
156 HD3 ARG 22 3HD ARG 22 -5.118 -3.444 3.653
157 HE ARG 22 HE ARG 22 -4.457 -3.184 5.840
158 HH11 ARG 22 1HH1 ARG 22 -6.607 -0.596 4.943
159 HH12 ARG 22 2HH1 ARG 22 -6.789 -0.011 6.562
160 HH21 ARG 22 1HH2 ARG 22 -4.689 -2.423 7.977
161 HH22 ARG 22 2HH2 ARG 22 -5.697 -1.050 8.288
162 H VAL 23 HN VAL 23 -2.552 -1.330 1.755
163 HA VAL 23 HA VAL 23 -1.042 -0.260 -0.520
164 HB VAL 23 HB VAL 23 0.943 0.101 0.745
165 HG11 VAL 23 1HG1 VAL 23 -1.533 1.318 1.897
166 HG12 VAL 23 2HG1 VAL 23 0.051 1.722 2.563
167 HG13 VAL 23 3HG1 VAL 23 -0.303 2.048 0.865
168 HG21 VAL 23 1HG2 VAL 23 0.776 -0.181 3.313
169 HG22 VAL 23 2HG2 VAL 23 -0.554 -1.277 2.941
170 HG23 VAL 23 3HG2 VAL 23 1.060 -1.605 2.313
171 H PHE 24 HN PHE 24 -0.200 -1.839 -1.704
172 HA PHE 24 HA PHE 24 0.406 -4.410 -0.404
173 HB2 PHE 24 2HB PHE 24 -0.386 -4.565 -3.232
174 HB3 PHE 24 3HB PHE 24 -0.833 -5.598 -1.877
175 HD1 PHE 24 1HD PHE 24 -2.566 -4.667 -0.225
176 HD2 PHE 24 2HD PHE 24 -1.921 -3.074 -4.118
177 HE1 PHE 24 1HE PHE 24 -4.797 -3.630 -0.167
178 HE2 PHE 24 2HE PHE 24 -4.148 -2.034 -4.067
179 HZ PHE 24 HZ PHE 24 -5.590 -2.311 -2.089
180 H HIS 25 HN HIS 25 1.801 -5.807 -1.933
181 HA HIS 25 HA HIS 25 3.961 -4.091 -2.946
182 HB2 HIS 25 2HB HIS 25 3.908 -6.513 -1.356
183 HB3 HIS 25 3HB HIS 25 4.916 -6.716 -2.786
184 HD2 HIS 25 2HD HIS 25 5.782 -3.324 -2.412
185 HE1 HIS 25 1HE HIS 25 7.927 -5.058 0.812
186 HE2 HIS 25 2HE HIS 25 7.616 -3.005 -0.615
187 H ASP 26 HN ASP 26 5.320 -5.306 -4.689
188 HA ASP 26 HA ASP 26 3.484 -5.889 -6.865
189 HB2 ASP 26 2HB ASP 26 5.500 -4.326 -7.038
190 HB3 ASP 26 3HB ASP 26 6.493 -5.781 -7.037
191 H GLY 27 HN GLY 27 5.910 -7.511 -4.919
192 HA2 GLY 27 1HA GLY 27 5.720 -9.932 -6.540
193 HA3 GLY 27 2HA GLY 27 6.811 -9.668 -5.187
194 H CYS 28 HN CYS 28 4.506 -8.645 -3.554
195 HA CYS 28 HA CYS 28 3.788 -11.165 -2.404
196 HB2 CYS 28 2HB CYS 28 3.095 -8.303 -1.781
197 HB3 CYS 28 3HB CYS 28 2.316 -9.635 -0.933
198 H LEU 29 HN LEU 29 1.746 -8.496 -3.608
199 HA LEU 29 HA LEU 29 -0.705 -9.550 -3.602
200 HB2 LEU 29 2HB LEU 29 0.591 -8.085 -5.891
201 HB3 LEU 29 3HB LEU 29 -1.139 -8.401 -5.789
202 HG LEU 29 HG LEU 29 0.391 -6.808 -3.739
203 HD11 LEU 29 1HD1 LEU 29 0.325 -5.019 -5.047
204 HD12 LEU 29 2HD1 LEU 29 -1.392 -5.258 -5.368
205 HD13 LEU 29 3HD1 LEU 29 -0.188 -6.060 -6.375
206 HD21 LEU 29 1HD2 LEU 29 -2.136 -5.971 -3.565
207 HD22 LEU 29 2HD2 LEU 29 -1.521 -7.342 -2.642
208 HD23 LEU 29 3HD2 LEU 29 -2.430 -7.616 -4.129
209 H ARG 30 HN ARG 30 1.888 -10.560 -5.730
210 HA ARG 30 HA ARG 30 0.188 -12.313 -7.275
211 HB2 ARG 30 2HB ARG 30 1.849 -12.037 -8.739
212 HB3 ARG 30 3HB ARG 30 2.824 -11.225 -7.521
213 HG2 ARG 30 2HG ARG 30 3.746 -13.319 -6.787
214 HG3 ARG 30 3HG ARG 30 2.670 -14.211 -7.866
215 HD2 ARG 30 2HD ARG 30 4.011 -13.895 -9.625
216 HD3 ARG 30 3HD ARG 30 4.223 -12.184 -9.256
217 HE ARG 30 HE ARG 30 6.284 -12.751 -8.492
218 HH11 ARG 30 1HH1 ARG 30 4.146 -15.440 -7.932
219 HH12 ARG 30 2HH1 ARG 30 5.365 -16.423 -7.193
220 HH21 ARG 30 1HH2 ARG 30 7.899 -14.036 -7.520
221 HH22 ARG 30 2HH2 ARG 30 7.499 -15.624 -6.957
222 H ARG 31 HN ARG 31 2.820 -12.714 -4.913
223 HA ARG 31 HA ARG 31 2.514 -15.558 -4.795
224 HB2 ARG 31 2HB ARG 31 4.315 -13.565 -3.718
225 HB3 ARG 31 3HB ARG 31 3.855 -14.729 -2.483
226 HG2 ARG 31 2HG ARG 31 4.699 -15.752 -5.142
227 HG3 ARG 31 3HG ARG 31 5.931 -15.126 -4.044
228 HD2 ARG 31 2HD ARG 31 5.800 -16.918 -2.716
229 HD3 ARG 31 3HD ARG 31 4.037 -16.888 -2.717
230 HE ARG 31 HE ARG 31 4.030 -18.422 -4.437
231 HH11 ARG 31 1HH1 ARG 31 7.261 -17.241 -3.903
232 HH12 ARG 31 2HH1 ARG 31 8.005 -18.436 -4.914
233 HH21 ARG 31 1HH2 ARG 31 4.998 -20.000 -5.770
234 HH22 ARG 31 2HH2 ARG 31 6.717 -20.005 -5.976
235 H MET 32 HN MET 32 0.499 -13.232 -3.795
236 HA MET 32 HA MET 32 -0.336 -14.718 -1.391
237 HB2 MET 32 2HB MET 32 -0.543 -11.801 -2.095
238 HB3 MET 32 3HB MET 32 -1.586 -12.521 -0.875
239 HG2 MET 32 2HG MET 32 1.420 -12.597 -0.796
240 HG3 MET 32 3HG MET 32 0.428 -11.402 0.036
241 HE1 MET 32 1HE MET 32 -1.740 -12.293 1.163
242 HE2 MET 32 2HE MET 32 -1.752 -13.642 2.300
243 HE3 MET 32 3HE MET 32 -0.833 -12.182 2.671
244 H GLY 33 HN GLY 33 -1.012 -14.562 -4.522
245 HA2 GLY 33 1HA GLY 33 -2.842 -15.129 -5.786
246 HA3 GLY 33 2HA GLY 33 -3.582 -15.688 -4.293
247 H TYR 34 HN TYR 34 -2.647 -12.457 -4.094
248 HA TYR 34 HA TYR 34 -5.317 -11.545 -3.854
249 HB2 TYR 34 2HB TYR 34 -2.617 -10.300 -3.768
250 HB3 TYR 34 3HB TYR 34 -3.986 -9.234 -4.063
251 HD1 TYR 34 1HD TYR 34 -1.936 -10.424 -1.577
252 HD2 TYR 34 2HD TYR 34 -6.074 -9.860 -2.399
253 HE1 TYR 34 1HE TYR 34 -2.402 -10.366 0.836
254 HE2 TYR 34 2HE TYR 34 -6.550 -9.800 0.014
255 HH TYR 34 HH TYR 34 -5.496 -9.445 2.090
256 H ILE 35 HN ILE 35 -2.989 -11.539 -6.468
257 HA ILE 35 HA ILE 35 -5.099 -10.671 -8.294
258 HB ILE 35 HB ILE 35 -3.615 -9.124 -9.469
259 HG12 ILE 35 2HG1 ILE 35 -1.557 -8.412 -7.936
260 HG13 ILE 35 3HG1 ILE 35 -1.676 -10.090 -7.418
261 HG21 ILE 35 1HG2 ILE 35 -5.012 -8.009 -7.984
262 HG22 ILE 35 2HG2 ILE 35 -4.184 -8.652 -6.568
263 HG23 ILE 35 3HG2 ILE 35 -3.412 -7.409 -7.551
264 HD11 ILE 35 1HD1 ILE 35 -0.133 -9.398 -9.409
265 HD12 ILE 35 2HD1 ILE 35 -1.049 -10.905 -9.459
266 HD13 ILE 35 3HD1 ILE 35 -1.635 -9.486 -10.329
267 H GLN 36 HN GLN 36 -4.041 -10.722 -10.652
268 HA GLN 36 HA GLN 36 -2.539 -13.248 -10.850
269 HB2 GLN 36 2HB GLN 36 -5.132 -12.685 -11.798
270 HB3 GLN 36 3HB GLN 36 -4.091 -12.719 -13.216
271 HG2 GLN 36 2HG GLN 36 -3.964 -14.910 -11.190
272 HG3 GLN 36 3HG GLN 36 -5.226 -14.894 -12.419
273 HE21 GLN 36 1HE2 GLN 36 -1.750 -14.164 -12.374
274 HE22 GLN 36 2HE2 GLN 36 -1.346 -15.184 -13.707
275 H GLY 37 HN GLY 37 -3.404 -10.315 -12.688
276 HA2 GLY 37 1HA GLY 37 -0.643 -10.311 -13.739
277 HA3 GLY 37 2HA GLY 37 -2.024 -9.948 -14.764
278 H ASP 38 HN ASP 38 -0.162 -8.833 -11.985
279 HA ASP 38 HA ASP 38 -0.806 -6.082 -12.739
280 HB2 ASP 38 2HB ASP 38 -1.498 -7.400 -10.167
281 HB3 ASP 38 3HB ASP 38 -0.862 -5.758 -10.076
282 H SER 39 HN SER 39 1.518 -7.093 -13.439
283 HA SER 39 HA SER 39 3.414 -5.996 -11.471
284 HB2 SER 39 2HB SER 39 4.742 -7.928 -13.099
285 HB3 SER 39 3HB SER 39 4.489 -7.956 -11.355
286 HG SER 39 HG SER 39 2.874 -9.059 -13.392
287 H ALA 40 HN ALA 40 3.953 -4.092 -12.352
288 HA ALA 40 HA ALA 40 4.243 -3.770 -15.209
289 HB1 ALA 40 1HB ALA 40 3.342 -2.054 -13.471
290 HB2 ALA 40 2HB ALA 40 5.050 -1.680 -13.235
291 HB3 ALA 40 3HB ALA 40 4.319 -1.497 -14.830
292 H ALA 41 HN ALA 41 6.395 -1.762 -14.872
293 HA ALA 41 HA ALA 41 8.633 -3.625 -15.065
294 HB1 ALA 41 1HB ALA 41 9.648 -2.131 -16.445
295 HB2 ALA 41 2HB ALA 41 7.974 -1.635 -16.697
296 HB3 ALA 41 3HB ALA 41 9.004 -0.730 -15.587
297 H GLU 42 HN GLU 42 7.263 -1.515 -12.813
298 HA GLU 42 HA GLU 42 8.097 -0.386 -10.973
299 HB2 GLU 42 2HB GLU 42 9.099 -1.957 -9.374
300 HB3 GLU 42 3HB GLU 42 7.710 -2.662 -10.189
301 HG2 GLU 42 2HG GLU 42 9.216 -3.876 -11.692
302 HG3 GLU 42 3HG GLU 42 10.600 -3.190 -10.841
303 H VAL 43 HN VAL 43 9.600 0.453 -13.070
304 HA VAL 43 HA VAL 43 12.317 0.532 -11.929
305 HB VAL 43 HB VAL 43 12.439 -0.761 -13.959
306 HG11 VAL 43 1HG1 VAL 43 10.307 0.700 -14.819
307 HG12 VAL 43 2HG1 VAL 43 11.617 1.371 -15.792
308 HG13 VAL 43 3HG1 VAL 43 11.281 -0.360 -15.838
309 HG21 VAL 43 1HG2 VAL 43 13.772 1.743 -13.587
310 HG22 VAL 43 2HG2 VAL 43 14.391 0.249 -14.290
311 HG23 VAL 43 3HG2 VAL 43 13.576 1.433 -15.312
312 H THR 44 HN THR 44 11.984 2.459 -10.841
313 HA THR 44 HA THR 44 12.466 4.834 -12.240
314 HB THR 44 HB THR 44 10.044 4.465 -12.895
315 HG1 THR 44 1HG THR 44 10.334 6.541 -13.171
316 HG21 THR 44 1HG2 THR 44 9.205 5.545 -10.270
317 HG22 THR 44 2HG2 THR 44 9.615 3.830 -10.325
318 HG23 THR 44 3HG2 THR 44 8.354 4.470 -11.378
319 H GLU 45 HN GLU 45 12.818 6.609 -10.866
320 HA GLU 45 HA GLU 45 12.843 5.908 -8.009
321 HB2 GLU 45 2HB GLU 45 14.573 7.806 -9.599
322 HB3 GLU 45 3HB GLU 45 14.605 7.699 -7.844
323 HG2 GLU 45 2HG GLU 45 15.972 5.963 -7.911
324 HG3 GLU 45 3HG GLU 45 14.893 5.088 -8.996
325 H MET 46 HN MET 46 11.013 7.568 -10.106
326 HA MET 46 HA MET 46 10.626 10.125 -9.353
327 HB2 MET 46 2HB MET 46 8.661 7.963 -10.015
328 HB3 MET 46 3HB MET 46 8.077 9.553 -9.544
329 HG2 MET 46 2HG MET 46 9.991 9.044 -11.807
330 HG3 MET 46 3HG MET 46 8.248 9.224 -11.989
331 HE1 MET 46 1HE MET 46 11.496 10.453 -11.860
332 HE2 MET 46 2HE MET 46 11.290 12.060 -12.555
333 HE3 MET 46 3HE MET 46 11.511 11.874 -10.815
334 H ALA 47 HN ALA 47 8.215 7.993 -7.957
335 HA ALA 47 HA ALA 47 7.315 7.842 -5.872
336 HB1 ALA 47 1HB ALA 47 8.755 7.461 -4.152
337 HB2 ALA 47 2HB ALA 47 9.895 7.352 -5.493
338 HB3 ALA 47 3HB ALA 47 9.778 8.840 -4.554
339 H HIS 48 HN HIS 48 5.778 9.317 -5.543
340 HA HIS 48 HA HIS 48 4.723 11.238 -4.931
341 HB2 HIS 48 2HB HIS 48 7.350 11.564 -3.496
342 HB3 HIS 48 3HB HIS 48 6.085 12.784 -3.389
343 HD1 HIS 48 1HD HIS 48 7.315 10.279 -1.391
344 HD2 HIS 48 2HD HIS 48 3.479 11.098 -2.759
345 HE1 HIS 48 1HE HIS 48 5.767 9.123 0.219
346 H THR 49 HN THR 49 4.890 11.678 -7.296
347 HA THR 49 HA THR 49 6.038 14.320 -7.687
348 HB THR 49 HB THR 49 6.874 13.464 -10.016
349 HG1 THR 49 1HG THR 49 6.642 11.359 -10.153
350 HG21 THR 49 1HG2 THR 49 9.034 13.517 -9.207
351 HG22 THR 49 2HG2 THR 49 8.623 12.611 -7.751
352 HG23 THR 49 3HG2 THR 49 8.163 14.307 -7.893
353 H GLU 50 HN GLU 50 4.643 11.697 -9.671
354 HA GLU 50 HA GLU 50 2.127 12.860 -10.008
355 HB2 GLU 50 2HB GLU 50 3.206 14.656 -11.189
356 HB3 GLU 50 3HB GLU 50 4.118 13.525 -12.178
357 HG2 GLU 50 2HG GLU 50 2.034 14.710 -13.157
358 HG3 GLU 50 3HG GLU 50 2.313 13.003 -13.497
359 H THR 51 HN THR 51 4.485 11.370 -12.236
360 HA THR 51 HA THR 51 2.509 9.315 -12.887
361 HB THR 51 HB THR 51 4.253 8.648 -14.628
362 HG1 THR 51 1HG THR 51 6.111 9.617 -14.200
363 HG21 THR 51 1HG2 THR 51 3.734 11.263 -15.579
364 HG22 THR 51 2HG2 THR 51 2.361 10.786 -14.581
365 HG23 THR 51 3HG2 THR 51 2.855 9.779 -15.941
366 H GLY 52 HN GLY 52 3.786 7.121 -13.487
367 HA2 GLY 52 1HA GLY 52 5.256 5.435 -12.765
368 HA3 GLY 52 2HA GLY 52 5.732 6.457 -11.418
369 H TRP 53 HN TRP 53 4.230 6.676 -9.624
370 HA TRP 53 HA TRP 53 3.142 4.151 -8.874
371 HB2 TRP 53 2HB TRP 53 2.244 5.607 -6.899
372 HB3 TRP 53 3HB TRP 53 3.976 5.330 -7.057
373 HD1 TRP 53 1HD TRP 53 5.458 7.417 -7.988
374 HE1 TRP 53 1HE TRP 53 5.047 9.954 -7.841
375 HE3 TRP 53 3HE TRP 53 0.465 7.367 -6.893
376 HZ2 TRP 53 2HZ TRP 53 2.890 11.702 -7.330
377 HZ3 TRP 53 3HZ TRP 53 -0.698 9.514 -6.591
378 HH2 TRP 53 2HH TRP 53 0.492 11.636 -6.804
379 H SER 54 HN SER 54 1.501 3.624 -10.312
380 HA SER 54 HA SER 54 -1.002 5.094 -9.886
381 HB2 SER 54 2HB SER 54 -1.319 4.345 -12.475
382 HB3 SER 54 3HB SER 54 -0.742 5.937 -11.982
383 HG SER 54 HG SER 54 0.701 3.747 -12.982
384 H CYS 55 HN CYS 55 -2.393 3.715 -9.028
385 HA CYS 55 HA CYS 55 -2.103 0.856 -9.487
386 HB2 CYS 55 2HB CYS 55 -3.463 0.532 -7.614
387 HB3 CYS 55 3HB CYS 55 -2.566 1.993 -7.210
388 H HIS 56 HN HIS 56 -4.430 -0.276 -9.504
389 HA HIS 56 HA HIS 56 -5.585 0.493 -12.031
390 HB2 HIS 56 2HB HIS 56 -5.615 -1.869 -10.292
391 HB3 HIS 56 3HB HIS 56 -7.156 -1.552 -11.082
392 HD1 HIS 56 1HD HIS 56 -4.183 -0.563 -13.017
393 HD2 HIS 56 2HD HIS 56 -6.615 -3.908 -12.629
394 HE1 HIS 56 1HE HIS 56 -3.656 -2.011 -15.004
395 H TYR 57 HN TYR 57 -6.715 0.216 -8.676
396 HA TYR 57 HA TYR 57 -9.359 1.064 -9.177
397 HB2 TYR 57 2HB TYR 57 -7.970 1.550 -6.560
398 HB3 TYR 57 3HB TYR 57 -9.644 1.097 -6.856
399 HD1 TYR 57 1HD TYR 57 -6.831 -0.089 -5.414
400 HD2 TYR 57 2HD TYR 57 -9.629 -1.255 -8.400
401 HE1 TYR 57 1HE TYR 57 -6.256 -2.448 -5.024
402 HE2 TYR 57 2HE TYR 57 -9.063 -3.616 -8.017
403 HH TYR 57 HH TYR 57 -7.068 -4.907 -7.116
404 H CYS 58 HN CYS 58 -6.515 2.751 -9.443
405 HA CYS 58 HA CYS 58 -6.982 5.238 -8.319
406 HB2 CYS 58 2HB CYS 58 -5.367 4.215 -10.579
407 HB3 CYS 58 3HB CYS 58 -5.704 5.943 -10.598
408 H ASP 59 HN ASP 59 -7.832 4.153 -11.604
409 HA ASP 59 HA ASP 59 -9.812 6.336 -11.706
410 HB2 ASP 59 2HB ASP 59 -8.604 5.010 -14.129
411 HB3 ASP 59 3HB ASP 59 -9.478 6.538 -14.040
412 H ASN 60 HN ASN 60 -11.793 5.894 -12.857
413 HA ASN 60 HA ASN 60 -12.442 3.111 -13.386
414 HB2 ASN 60 2HB ASN 60 -13.503 4.664 -11.072
415 HB3 ASN 60 3HB ASN 60 -14.619 3.606 -11.933
416 HD21 ASN 60 1HD2 ASN 60 -11.556 3.711 -10.214
417 HD22 ASN 60 2HD2 ASN 60 -11.568 2.056 -9.716
Start of MODEL 13
1 H1 GLU 1 HN GLU 1 2.989 4.605 5.173
2 HA GLU 1 HA GLU 1 0.878 3.130 4.025
3 HB2 GLU 1 2HB GLU 1 1.397 3.057 1.747
4 HB3 GLU 1 3HB GLU 1 1.544 4.762 2.149
5 HG2 GLU 1 2HG GLU 1 4.043 4.224 2.502
6 HG3 GLU 1 3HG GLU 1 3.693 2.771 1.566
7 H MET 2 HN MET 2 1.296 1.094 4.550
8 HA MET 2 HA MET 2 4.026 0.073 4.336
9 HB2 MET 2 2HB MET 2 2.439 -0.551 6.805
10 HB3 MET 2 3HB MET 2 4.169 -0.707 6.535
11 HG2 MET 2 2HG MET 2 4.012 1.911 6.274
12 HG3 MET 2 3HG MET 2 2.566 1.683 7.254
13 HE1 MET 2 1HE MET 2 6.232 1.760 6.897
14 HE2 MET 2 2HE MET 2 6.915 1.404 8.484
15 HE3 MET 2 3HE MET 2 6.395 0.086 7.432
16 H CYS 3 HN CYS 3 3.807 -1.563 2.959
17 HA CYS 3 HA CYS 3 1.656 -2.896 2.085
18 HB2 CYS 3 2HB CYS 3 3.986 -3.295 1.315
19 HB3 CYS 3 3HB CYS 3 4.267 -4.270 2.755
20 H ASP 4 HN ASP 4 0.082 -4.098 2.907
21 HA ASP 4 HA ASP 4 0.030 -4.803 5.662
22 HB2 ASP 4 2HB ASP 4 -1.917 -4.302 3.934
23 HB3 ASP 4 3HB ASP 4 -1.862 -6.049 3.719
24 H VAL 5 HN VAL 5 1.693 -6.180 3.213
25 HA VAL 5 HA VAL 5 1.496 -8.877 4.391
26 HB VAL 5 HB VAL 5 2.247 -8.148 1.556
27 HG11 VAL 5 1HG1 VAL 5 1.994 -10.736 1.360
28 HG12 VAL 5 2HG1 VAL 5 3.504 -10.042 1.952
29 HG13 VAL 5 3HG1 VAL 5 2.333 -10.709 3.091
30 HG21 VAL 5 1HG2 VAL 5 -0.226 -9.348 2.773
31 HG22 VAL 5 2HG2 VAL 5 -0.090 -7.922 1.745
32 HG23 VAL 5 3HG2 VAL 5 0.168 -9.527 1.063
33 H CYS 6 HN CYS 6 3.373 -6.201 4.295
34 HA CYS 6 HA CYS 6 5.750 -7.718 5.028
35 HB2 CYS 6 2HB CYS 6 5.812 -5.542 2.925
36 HB3 CYS 6 3HB CYS 6 7.217 -6.365 3.595
37 H GLU 7 HN GLU 7 4.284 -4.511 4.639
38 HA GLU 7 HA GLU 7 4.125 -2.774 6.122
39 HB2 GLU 7 2HB GLU 7 5.840 -4.274 8.083
40 HB3 GLU 7 3HB GLU 7 4.617 -3.053 8.405
41 HG2 GLU 7 2HG GLU 7 2.907 -4.529 8.296
42 HG3 GLU 7 3HG GLU 7 3.707 -5.537 7.090
43 H VAL 8 HN VAL 8 6.195 -3.060 4.149
44 HA VAL 8 HA VAL 8 8.345 -1.487 5.416
45 HB VAL 8 HB VAL 8 9.299 -2.443 2.953
46 HG11 VAL 8 1HG1 VAL 8 9.875 -2.860 5.834
47 HG12 VAL 8 2HG1 VAL 8 10.634 -3.956 4.677
48 HG13 VAL 8 3HG1 VAL 8 10.904 -2.217 4.555
49 HG21 VAL 8 1HG2 VAL 8 7.424 -4.096 3.094
50 HG22 VAL 8 2HG2 VAL 8 9.033 -4.815 3.035
51 HG23 VAL 8 3HG2 VAL 8 8.165 -4.721 4.567
52 H TRP 9 HN TRP 9 8.751 0.489 4.624
53 HA TRP 9 HA TRP 9 7.296 1.305 2.197
54 HB2 TRP 9 2HB TRP 9 6.417 2.831 3.607
55 HB3 TRP 9 3HB TRP 9 7.669 2.565 4.817
56 HD1 TRP 9 1HD TRP 9 9.563 4.337 4.986
57 HE1 TRP 9 1HE TRP 9 10.101 6.520 3.732
58 HE3 TRP 9 3HE TRP 9 6.219 3.912 1.142
59 HZ2 TRP 9 2HZ TRP 9 9.223 7.882 1.421
60 HZ3 TRP 9 3HZ TRP 9 6.131 5.698 -0.548
61 HH2 TRP 9 2HH TRP 9 7.603 7.641 -0.409
62 H THR 10 HN THR 10 8.336 3.070 0.942
63 HA THR 10 HA THR 10 11.160 3.482 1.205
64 HB THR 10 HB THR 10 11.640 2.531 -1.124
65 HG1 THR 10 1HG THR 10 10.012 0.505 -1.102
66 HG21 THR 10 1HG2 THR 10 12.265 1.558 1.192
67 HG22 THR 10 2HG2 THR 10 12.388 0.516 -0.224
68 HG23 THR 10 3HG2 THR 10 11.004 0.373 0.859
69 H ALA 11 HN ALA 11 11.670 5.399 0.346
70 HA ALA 11 HA ALA 11 9.795 7.145 -0.704
71 HB1 ALA 11 1HB ALA 11 11.650 8.219 0.117
72 HB2 ALA 11 2HB ALA 11 12.776 7.106 -0.663
73 HB3 ALA 11 3HB ALA 11 11.944 8.332 -1.619
74 H GLU 12 HN GLU 12 11.969 4.929 -2.368
75 HA GLU 12 HA GLU 12 12.028 5.673 -4.926
76 HB2 GLU 12 2HB GLU 12 11.627 3.027 -3.650
77 HB3 GLU 12 3HB GLU 12 11.323 3.116 -5.379
78 HG2 GLU 12 2HG GLU 12 13.531 3.745 -5.849
79 HG3 GLU 12 3HG GLU 12 13.864 4.141 -4.163
80 H SER 13 HN SER 13 9.532 3.263 -4.491
81 HA SER 13 HA SER 13 7.333 4.976 -5.091
82 HB2 SER 13 2HB SER 13 8.590 4.793 -7.310
83 HB3 SER 13 3HB SER 13 8.102 3.098 -7.326
84 HG SER 13 HG SER 13 6.282 3.773 -8.103
85 H LEU 14 HN LEU 14 5.992 4.021 -3.691
86 HA LEU 14 HA LEU 14 5.744 1.092 -3.749
87 HB2 LEU 14 2HB LEU 14 5.921 2.959 -1.630
88 HB3 LEU 14 3HB LEU 14 4.300 2.268 -1.589
89 HG LEU 14 HG LEU 14 6.895 0.733 -1.465
90 HD11 LEU 14 1HD1 LEU 14 6.271 0.253 0.818
91 HD12 LEU 14 2HD1 LEU 14 4.783 1.182 0.638
92 HD13 LEU 14 3HD1 LEU 14 6.345 1.998 0.576
93 HD21 LEU 14 1HD2 LEU 14 5.230 -1.129 -0.831
94 HD22 LEU 14 2HD2 LEU 14 5.429 -0.719 -2.535
95 HD23 LEU 14 3HD2 LEU 14 4.030 -0.122 -1.641
96 H PHE 15 HN PHE 15 3.744 0.112 -3.959
97 HA PHE 15 HA PHE 15 1.676 1.808 -5.148
98 HB2 PHE 15 2HB PHE 15 2.138 -1.176 -5.196
99 HB3 PHE 15 3HB PHE 15 0.692 -0.418 -5.853
100 HD1 PHE 15 1HD PHE 15 4.404 -0.252 -6.096
101 HD2 PHE 15 2HD PHE 15 0.661 0.215 -8.068
102 HE1 PHE 15 1HE PHE 15 5.577 0.126 -8.224
103 HE2 PHE 15 2HE PHE 15 1.828 0.593 -10.200
104 HZ PHE 15 HZ PHE 15 4.289 0.548 -10.281
105 HA PRO 16 HA PRO 16 -0.521 1.171 -5.806
106 HB2 PRO 16 2HB PRO 16 -2.591 2.847 -5.282
107 HB3 PRO 16 3HB PRO 16 -2.750 1.086 -5.258
108 HG2 PRO 16 2HG PRO 16 -2.396 2.987 -2.972
109 HG3 PRO 16 3HG PRO 16 -3.476 1.588 -3.107
110 HD2 PRO 16 2HD PRO 16 -1.127 1.490 -1.766
111 HD3 PRO 16 3HD PRO 16 -1.799 0.085 -2.619
112 H CYS 17 HN CYS 17 -0.698 3.739 -3.328
113 HA CYS 17 HA CYS 17 1.392 5.266 -4.470
114 HB2 CYS 17 2HB CYS 17 -0.283 7.242 -4.996
115 HB3 CYS 17 3HB CYS 17 0.097 6.029 -6.214
116 H ARG 18 HN ARG 18 -1.419 6.981 -3.390
117 HA ARG 18 HA ARG 18 -0.537 6.997 -0.615
118 HB2 ARG 18 2HB ARG 18 0.069 9.196 -0.474
119 HB3 ARG 18 3HB ARG 18 0.563 8.879 -2.131
120 HG2 ARG 18 2HG ARG 18 -2.089 10.072 -1.356
121 HG3 ARG 18 3HG ARG 18 -0.670 11.009 -1.825
122 HD2 ARG 18 2HD ARG 18 -1.289 8.894 -3.720
123 HD3 ARG 18 3HD ARG 18 -2.623 10.027 -3.515
124 HE ARG 18 HE ARG 18 -0.112 10.531 -4.796
125 HH11 ARG 18 1HH1 ARG 18 -2.756 11.987 -3.062
126 HH12 ARG 18 2HH1 ARG 18 -2.509 13.560 -3.747
127 HH21 ARG 18 1HH2 ARG 18 0.224 12.596 -5.703
128 HH22 ARG 18 2HH2 ARG 18 -0.813 13.905 -5.249
129 H VAL 19 HN VAL 19 -2.840 8.010 -3.069
130 HA VAL 19 HA VAL 19 -4.875 8.527 -1.035
131 HB VAL 19 HB VAL 19 -6.285 9.193 -3.021
132 HG11 VAL 19 1HG1 VAL 19 -4.451 11.174 -3.488
133 HG12 VAL 19 2HG1 VAL 19 -5.591 11.131 -2.141
134 HG13 VAL 19 3HG1 VAL 19 -3.942 10.545 -1.921
135 HG21 VAL 19 1HG2 VAL 19 -4.116 9.715 -4.805
136 HG22 VAL 19 2HG2 VAL 19 -4.158 7.992 -4.432
137 HG23 VAL 19 3HG2 VAL 19 -5.587 8.787 -5.090
138 H CYS 20 HN CYS 20 -4.088 6.283 -3.615
139 HA CYS 20 HA CYS 20 -6.459 4.938 -3.966
140 HB2 CYS 20 2HB CYS 20 -3.590 4.122 -4.100
141 HB3 CYS 20 3HB CYS 20 -4.820 2.864 -4.183
142 H THR 21 HN THR 21 -6.567 2.445 -3.225
143 HA THR 21 HA THR 21 -7.394 2.499 -0.539
144 HB THR 21 HB THR 21 -7.956 0.227 -0.761
145 HG1 THR 21 1HG THR 21 -6.971 -1.043 -2.505
146 HG21 THR 21 1HG2 THR 21 -8.048 0.817 -3.666
147 HG22 THR 21 2HG2 THR 21 -8.825 1.976 -2.588
148 HG23 THR 21 3HG2 THR 21 -9.328 0.286 -2.577
149 H ARG 22 HN ARG 22 -6.364 -0.120 0.256
150 HA ARG 22 HA ARG 22 -4.293 0.623 1.923
151 HB2 ARG 22 2HB ARG 22 -5.333 -1.986 0.933
152 HB3 ARG 22 3HB ARG 22 -3.780 -1.986 1.758
153 HG2 ARG 22 2HG ARG 22 -5.501 -0.431 3.336
154 HG3 ARG 22 3HG ARG 22 -6.416 -1.862 2.858
155 HD2 ARG 22 2HD ARG 22 -5.210 -2.224 4.956
156 HD3 ARG 22 3HD ARG 22 -4.636 -3.298 3.682
157 HE ARG 22 HE ARG 22 -2.589 -2.263 3.768
158 HH11 ARG 22 1HH1 ARG 22 -4.928 -0.363 5.513
159 HH12 ARG 22 2HH1 ARG 22 -3.747 0.709 6.189
160 HH21 ARG 22 1HH2 ARG 22 -1.025 -0.857 4.652
161 HH22 ARG 22 2HH2 ARG 22 -1.527 0.428 5.697
162 H VAL 23 HN VAL 23 -2.143 -0.919 1.789
163 HA VAL 23 HA VAL 23 -0.893 -0.243 -0.795
164 HB VAL 23 HB VAL 23 0.236 1.170 0.624
165 HG11 VAL 23 1HG1 VAL 23 -0.473 -0.820 2.689
166 HG12 VAL 23 2HG1 VAL 23 1.011 0.098 2.959
167 HG13 VAL 23 3HG1 VAL 23 -0.524 0.941 2.743
168 HG21 VAL 23 1HG2 VAL 23 2.018 -1.065 1.362
169 HG22 VAL 23 2HG2 VAL 23 1.656 -0.893 -0.356
170 HG23 VAL 23 3HG2 VAL 23 2.379 0.449 0.532
171 H PHE 24 HN PHE 24 0.291 -1.777 -1.817
172 HA PHE 24 HA PHE 24 1.046 -4.216 -0.432
173 HB2 PHE 24 2HB PHE 24 -0.107 -5.150 -2.825
174 HB3 PHE 24 3HB PHE 24 -0.669 -5.439 -1.181
175 HD1 PHE 24 1HD PHE 24 -2.650 -4.456 -0.380
176 HD2 PHE 24 2HD PHE 24 -1.005 -3.200 -4.099
177 HE1 PHE 24 1HE PHE 24 -4.712 -3.202 -0.865
178 HE2 PHE 24 2HE PHE 24 -3.064 -1.944 -4.590
179 HZ PHE 24 HZ PHE 24 -4.920 -1.943 -2.972
180 H HIS 25 HN HIS 25 2.526 -5.538 -1.649
181 HA HIS 25 HA HIS 25 4.201 -3.935 -3.392
182 HB2 HIS 25 2HB HIS 25 4.556 -6.679 -2.178
183 HB3 HIS 25 3HB HIS 25 5.738 -5.931 -3.248
184 HD2 HIS 25 2HD HIS 25 4.716 -3.048 -1.252
185 HE1 HIS 25 1HE HIS 25 7.603 -4.977 1.187
186 HE2 HIS 25 2HE HIS 25 6.224 -2.897 0.844
187 H ASP 26 HN ASP 26 5.242 -5.165 -5.292
188 HA ASP 26 HA ASP 26 3.101 -5.944 -7.056
189 HB2 ASP 26 2HB ASP 26 5.051 -4.495 -7.735
190 HB3 ASP 26 3HB ASP 26 6.066 -5.933 -7.642
191 H GLY 27 HN GLY 27 5.597 -7.526 -5.225
192 HA2 GLY 27 1HA GLY 27 5.239 -10.045 -6.651
193 HA3 GLY 27 2HA GLY 27 6.386 -9.736 -5.357
194 H CYS 28 HN CYS 28 4.315 -8.546 -3.630
195 HA CYS 28 HA CYS 28 3.559 -10.866 -2.230
196 HB2 CYS 28 2HB CYS 28 2.831 -7.964 -2.025
197 HB3 CYS 28 3HB CYS 28 1.965 -9.152 -1.058
198 H LEU 29 HN LEU 29 1.376 -8.474 -3.732
199 HA LEU 29 HA LEU 29 -0.971 -9.853 -3.597
200 HB2 LEU 29 2HB LEU 29 -0.101 -8.259 -6.000
201 HB3 LEU 29 3HB LEU 29 -1.755 -8.565 -5.470
202 HG LEU 29 HG LEU 29 0.241 -6.959 -3.881
203 HD11 LEU 29 1HD1 LEU 29 -1.459 -5.107 -4.733
204 HD12 LEU 29 2HD1 LEU 29 -1.559 -6.201 -6.112
205 HD13 LEU 29 3HD1 LEU 29 -0.001 -5.529 -5.630
206 HD21 LEU 29 1HD2 LEU 29 -2.492 -7.896 -3.456
207 HD22 LEU 29 2HD2 LEU 29 -2.292 -6.160 -3.216
208 HD23 LEU 29 3HD2 LEU 29 -1.303 -7.297 -2.299
209 H ARG 30 HN ARG 30 1.539 -10.192 -6.071
210 HA ARG 30 HA ARG 30 0.150 -12.021 -7.707
211 HB2 ARG 30 2HB ARG 30 2.783 -10.861 -7.583
212 HB3 ARG 30 3HB ARG 30 2.904 -12.583 -7.918
213 HG2 ARG 30 2HG ARG 30 1.525 -12.372 -9.860
214 HG3 ARG 30 3HG ARG 30 1.158 -10.689 -9.472
215 HD2 ARG 30 2HD ARG 30 3.357 -9.992 -9.953
216 HD3 ARG 30 3HD ARG 30 3.966 -11.647 -9.943
217 HE ARG 30 HE ARG 30 2.690 -10.279 -12.128
218 HH11 ARG 30 1HH1 ARG 30 3.464 -13.374 -10.736
219 HH12 ARG 30 2HH1 ARG 30 3.371 -14.222 -12.244
220 HH21 ARG 30 1HH2 ARG 30 2.564 -11.384 -14.120
221 HH22 ARG 30 2HH2 ARG 30 2.860 -13.089 -14.168
222 H ARG 31 HN ARG 31 2.698 -12.590 -5.276
223 HA ARG 31 HA ARG 31 2.448 -15.422 -5.384
224 HB2 ARG 31 2HB ARG 31 4.051 -13.466 -3.948
225 HB3 ARG 31 3HB ARG 31 3.575 -14.808 -2.915
226 HG2 ARG 31 2HG ARG 31 4.730 -15.348 -5.615
227 HG3 ARG 31 3HG ARG 31 5.787 -14.932 -4.263
228 HD2 ARG 31 2HD ARG 31 4.121 -16.820 -3.171
229 HD3 ARG 31 3HD ARG 31 4.329 -17.400 -4.822
230 HE ARG 31 HE ARG 31 6.368 -18.131 -4.142
231 HH11 ARG 31 1HH1 ARG 31 5.612 -15.228 -2.375
232 HH12 ARG 31 2HH1 ARG 31 7.111 -15.210 -1.507
233 HH21 ARG 31 1HH2 ARG 31 8.345 -18.118 -3.005
234 HH22 ARG 31 2HH2 ARG 31 8.666 -16.854 -1.867
235 H MET 32 HN MET 32 0.399 -13.126 -4.169
236 HA MET 32 HA MET 32 -0.633 -14.929 -2.082
237 HB2 MET 32 2HB MET 32 -0.779 -11.945 -2.417
238 HB3 MET 32 3HB MET 32 -1.914 -12.798 -1.380
239 HG2 MET 32 2HG MET 32 0.446 -13.801 -0.505
240 HG3 MET 32 3HG MET 32 0.916 -12.167 -0.968
241 HE1 MET 32 1HE MET 32 -0.100 -14.436 1.351
242 HE2 MET 32 2HE MET 32 -0.187 -13.454 2.814
243 HE3 MET 32 3HE MET 32 -1.669 -13.961 2.002
244 H GLY 33 HN GLY 33 -1.118 -14.158 -5.220
245 HA2 GLY 33 1HA GLY 33 -2.863 -14.467 -6.677
246 HA3 GLY 33 2HA GLY 33 -3.616 -15.420 -5.408
247 H TYR 34 HN TYR 34 -2.832 -12.168 -4.637
248 HA TYR 34 HA TYR 34 -5.558 -11.519 -4.140
249 HB2 TYR 34 2HB TYR 34 -2.939 -10.162 -3.846
250 HB3 TYR 34 3HB TYR 34 -4.348 -9.117 -3.984
251 HD1 TYR 34 1HD TYR 34 -6.408 -10.573 -2.534
252 HD2 TYR 34 2HD TYR 34 -2.277 -10.114 -1.625
253 HE1 TYR 34 1HE TYR 34 -6.900 -10.920 -0.150
254 HE2 TYR 34 2HE TYR 34 -2.758 -10.461 0.762
255 HH TYR 34 HH TYR 34 -4.517 -11.549 2.146
256 H ILE 35 HN ILE 35 -3.417 -11.084 -6.826
257 HA ILE 35 HA ILE 35 -5.574 -10.176 -8.487
258 HB ILE 35 HB ILE 35 -4.441 -8.106 -9.255
259 HG12 ILE 35 2HG1 ILE 35 -2.889 -7.414 -7.033
260 HG13 ILE 35 3HG1 ILE 35 -2.412 -9.064 -7.417
261 HG21 ILE 35 1HG2 ILE 35 -6.286 -8.186 -7.526
262 HG22 ILE 35 2HG2 ILE 35 -5.029 -7.958 -6.311
263 HG23 ILE 35 3HG2 ILE 35 -5.298 -6.725 -7.542
264 HD11 ILE 35 1HD1 ILE 35 -1.026 -8.145 -8.889
265 HD12 ILE 35 2HD1 ILE 35 -2.456 -7.840 -9.875
266 HD13 ILE 35 3HD1 ILE 35 -1.839 -6.582 -8.805
267 H GLN 36 HN GLN 36 -4.572 -9.522 -10.745
268 HA GLN 36 HA GLN 36 -2.144 -10.988 -11.363
269 HB2 GLN 36 2HB GLN 36 -4.734 -12.144 -11.742
270 HB3 GLN 36 3HB GLN 36 -4.016 -11.836 -13.317
271 HG2 GLN 36 2HG GLN 36 -2.601 -13.309 -11.112
272 HG3 GLN 36 3HG GLN 36 -3.574 -14.101 -12.351
273 HE21 GLN 36 1HE2 GLN 36 -1.295 -15.093 -12.491
274 HE22 GLN 36 2HE2 GLN 36 -0.250 -14.383 -13.670
275 H GLY 37 HN GLY 37 -1.004 -9.843 -12.778
276 HA2 GLY 37 1HA GLY 37 -0.762 -8.782 -14.911
277 HA3 GLY 37 2HA GLY 37 -2.436 -8.260 -14.802
278 H ASP 38 HN ASP 38 -2.769 -6.205 -14.291
279 HA ASP 38 HA ASP 38 -2.411 -4.063 -13.613
280 HB2 ASP 38 2HB ASP 38 -0.922 -5.632 -11.530
281 HB3 ASP 38 3HB ASP 38 -0.872 -3.871 -11.518
282 H SER 39 HN SER 39 -0.515 -5.480 -15.509
283 HA SER 39 HA SER 39 1.460 -5.109 -16.597
284 HB2 SER 39 2HB SER 39 1.371 -3.077 -17.565
285 HB3 SER 39 3HB SER 39 -0.029 -2.777 -16.535
286 HG SER 39 HG SER 39 2.025 -1.329 -16.532
287 H ALA 40 HN ALA 40 3.534 -3.377 -16.316
288 HA ALA 40 HA ALA 40 4.438 -3.387 -13.557
289 HB1 ALA 40 1HB ALA 40 5.326 -5.367 -15.531
290 HB2 ALA 40 2HB ALA 40 6.628 -4.543 -14.672
291 HB3 ALA 40 3HB ALA 40 5.386 -5.411 -13.769
292 H ALA 41 HN ALA 41 6.321 -2.117 -13.210
293 HA ALA 41 HA ALA 41 7.324 -0.595 -15.500
294 HB1 ALA 41 1HB ALA 41 7.109 1.514 -14.115
295 HB2 ALA 41 2HB ALA 41 5.610 0.849 -14.764
296 HB3 ALA 41 3HB ALA 41 6.022 0.602 -13.067
297 H GLU 42 HN GLU 42 7.813 0.538 -12.270
298 HA GLU 42 HA GLU 42 9.717 0.798 -11.041
299 HB2 GLU 42 2HB GLU 42 10.639 -1.938 -11.746
300 HB3 GLU 42 3HB GLU 42 10.532 -1.158 -10.174
301 HG2 GLU 42 2HG GLU 42 7.956 -1.343 -10.600
302 HG3 GLU 42 3HG GLU 42 8.448 -2.621 -11.710
303 H VAL 43 HN VAL 43 9.864 1.443 -13.901
304 HA VAL 43 HA VAL 43 12.707 0.908 -14.438
305 HB VAL 43 HB VAL 43 10.578 0.609 -16.129
306 HG11 VAL 43 1HG1 VAL 43 10.304 3.087 -16.171
307 HG12 VAL 43 2HG1 VAL 43 11.902 3.202 -16.912
308 HG13 VAL 43 3HG1 VAL 43 10.595 2.367 -17.754
309 HG21 VAL 43 1HG2 VAL 43 12.350 -0.454 -16.990
310 HG22 VAL 43 2HG2 VAL 43 12.656 1.049 -17.861
311 HG23 VAL 43 3HG2 VAL 43 13.489 0.726 -16.340
312 H THR 44 HN THR 44 10.423 3.369 -13.674
313 HA THR 44 HA THR 44 12.445 5.295 -13.184
314 HB THR 44 HB THR 44 11.989 5.275 -15.802
315 HG1 THR 44 1HG THR 44 13.421 6.742 -15.057
316 HG21 THR 44 1HG2 THR 44 10.240 6.581 -16.558
317 HG22 THR 44 2HG2 THR 44 10.060 7.418 -15.016
318 HG23 THR 44 3HG2 THR 44 9.490 5.759 -15.190
319 H GLU 45 HN GLU 45 11.436 7.488 -12.662
320 HA GLU 45 HA GLU 45 9.834 8.786 -11.657
321 HB2 GLU 45 2HB GLU 45 8.291 7.151 -13.210
322 HB3 GLU 45 3HB GLU 45 7.701 6.762 -11.600
323 HG2 GLU 45 2HG GLU 45 7.976 9.618 -12.007
324 HG3 GLU 45 3HG GLU 45 6.896 8.870 -13.182
325 H MET 46 HN MET 46 8.576 8.836 -9.591
326 HA MET 46 HA MET 46 9.484 6.722 -7.752
327 HB2 MET 46 2HB MET 46 9.192 9.625 -6.992
328 HB3 MET 46 3HB MET 46 9.951 8.339 -6.066
329 HG2 MET 46 2HG MET 46 11.708 8.180 -7.788
330 HG3 MET 46 3HG MET 46 10.966 9.540 -8.629
331 HE1 MET 46 1HE MET 46 14.158 9.306 -5.965
332 HE2 MET 46 2HE MET 46 12.956 9.211 -4.678
333 HE3 MET 46 3HE MET 46 12.891 8.080 -6.031
334 H ALA 47 HN ALA 47 8.055 8.634 -5.723
335 HA ALA 47 HA ALA 47 5.548 7.200 -5.807
336 HB1 ALA 47 1HB ALA 47 5.123 8.140 -3.643
337 HB2 ALA 47 2HB ALA 47 6.801 7.596 -3.694
338 HB3 ALA 47 3HB ALA 47 6.425 9.313 -3.846
339 H HIS 48 HN HIS 48 6.450 10.652 -5.661
340 HA HIS 48 HA HIS 48 4.401 11.342 -7.558
341 HB2 HIS 48 2HB HIS 48 4.060 12.846 -5.030
342 HB3 HIS 48 3HB HIS 48 2.858 12.350 -6.218
343 HD1 HIS 48 1HD HIS 48 1.801 10.001 -5.926
344 HD2 HIS 48 2HD HIS 48 4.483 11.053 -2.934
345 HE1 HIS 48 1HE HIS 48 1.443 8.328 -4.084
346 H THR 49 HN THR 49 6.246 12.127 -8.664
347 HA THR 49 HA THR 49 7.284 14.663 -7.576
348 HB THR 49 HB THR 49 9.324 14.160 -9.071
349 HG1 THR 49 1HG THR 49 8.063 12.191 -9.896
350 HG21 THR 49 1HG2 THR 49 10.430 12.930 -7.286
351 HG22 THR 49 2HG2 THR 49 8.867 12.463 -6.614
352 HG23 THR 49 3HG2 THR 49 9.361 14.155 -6.604
353 H GLU 50 HN GLU 50 5.632 13.108 -10.085
354 HA GLU 50 HA GLU 50 5.548 15.584 -11.610
355 HB2 GLU 50 2HB GLU 50 7.081 13.304 -12.448
356 HB3 GLU 50 3HB GLU 50 5.741 13.546 -13.561
357 HG2 GLU 50 2HG GLU 50 6.438 15.882 -13.863
358 HG3 GLU 50 3HG GLU 50 7.808 15.594 -12.793
359 H THR 51 HN THR 51 4.513 12.173 -11.673
360 HA THR 51 HA THR 51 1.740 13.092 -11.937
361 HB THR 51 HB THR 51 1.854 10.739 -13.449
362 HG1 THR 51 1HG THR 51 3.728 12.520 -14.576
363 HG21 THR 51 1HG2 THR 51 1.308 13.606 -13.891
364 HG22 THR 51 2HG2 THR 51 0.326 12.192 -14.274
365 HG23 THR 51 3HG2 THR 51 1.655 12.657 -15.335
366 H GLY 52 HN GLY 52 0.385 10.789 -12.022
367 HA2 GLY 52 1HA GLY 52 1.094 9.550 -9.453
368 HA3 GLY 52 2HA GLY 52 -0.505 9.556 -10.182
369 H TRP 53 HN TRP 53 0.860 7.273 -9.146
370 HA TRP 53 HA TRP 53 1.646 5.770 -11.527
371 HB2 TRP 53 2HB TRP 53 2.714 5.773 -9.040
372 HB3 TRP 53 3HB TRP 53 1.595 4.420 -8.894
373 HD1 TRP 53 1HD TRP 53 1.883 2.577 -11.098
374 HE1 TRP 53 1HE TRP 53 4.101 1.624 -11.992
375 HE3 TRP 53 3HE TRP 53 5.086 6.122 -9.278
376 HZ2 TRP 53 2HZ TRP 53 6.843 2.286 -11.933
377 HZ3 TRP 53 3HZ TRP 53 7.490 5.889 -9.741
378 HH2 TRP 53 2HH TRP 53 8.349 4.009 -11.040
379 H SER 54 HN SER 54 0.657 3.796 -12.104
380 HA SER 54 HA SER 54 -2.189 3.763 -11.641
381 HB2 SER 54 2HB SER 54 -1.415 1.443 -13.064
382 HB3 SER 54 3HB SER 54 -2.144 2.913 -13.712
383 HG SER 54 HG SER 54 0.492 2.065 -13.753
384 H CYS 55 HN CYS 55 -3.387 2.028 -10.782
385 HA CYS 55 HA CYS 55 -1.981 -0.117 -9.424
386 HB2 CYS 55 2HB CYS 55 -3.851 1.541 -7.760
387 HB3 CYS 55 3HB CYS 55 -2.616 0.401 -7.234
388 H HIS 56 HN HIS 56 -4.165 -0.835 -7.743
389 HA HIS 56 HA HIS 56 -5.778 -2.229 -9.640
390 HB2 HIS 56 2HB HIS 56 -5.132 -3.161 -7.424
391 HB3 HIS 56 3HB HIS 56 -6.178 -1.973 -6.652
392 HD1 HIS 56 1HD HIS 56 -6.439 -5.208 -6.687
393 HD2 HIS 56 2HD HIS 56 -8.752 -2.446 -8.758
394 HE1 HIS 56 1HE HIS 56 -8.614 -6.376 -7.165
395 H TYR 57 HN TYR 57 -6.863 -0.150 -6.954
396 HA TYR 57 HA TYR 57 -9.320 0.438 -8.342
397 HB2 TYR 57 2HB TYR 57 -8.238 1.504 -5.726
398 HB3 TYR 57 3HB TYR 57 -9.870 1.757 -6.332
399 HD1 TYR 57 1HD TYR 57 -7.494 -0.920 -5.313
400 HD2 TYR 57 2HD TYR 57 -11.559 0.220 -5.839
401 HE1 TYR 57 1HE TYR 57 -8.213 -3.005 -4.225
402 HE2 TYR 57 2HE TYR 57 -12.290 -1.862 -4.752
403 HH TYR 57 HH TYR 57 -10.525 -3.672 -2.872
404 H CYS 58 HN CYS 58 -6.216 1.746 -8.305
405 HA CYS 58 HA CYS 58 -6.290 4.414 -8.339
406 HB2 CYS 58 2HB CYS 58 -4.573 2.545 -9.387
407 HB3 CYS 58 3HB CYS 58 -5.081 3.425 -10.825
408 H ASP 59 HN ASP 59 -6.951 2.645 -11.366
409 HA ASP 59 HA ASP 59 -8.220 4.923 -12.546
410 HB2 ASP 59 2HB ASP 59 -7.432 2.226 -13.389
411 HB3 ASP 59 3HB ASP 59 -8.922 2.796 -14.137
412 H ASN 60 HN ASN 60 -10.292 5.501 -12.466
413 HA ASN 60 HA ASN 60 -12.209 3.604 -11.289
414 HB2 ASN 60 2HB ASN 60 -12.785 5.287 -9.937
415 HB3 ASN 60 3HB ASN 60 -11.644 6.355 -10.749
416 HD21 ASN 60 1HD2 ASN 60 -14.771 6.010 -9.901
417 HD22 ASN 60 2HD2 ASN 60 -15.519 7.013 -11.092
Start of MODEL 14
1 H1 GLU 1 HN GLU 1 1.966 4.559 5.623
2 HA GLU 1 HA GLU 1 0.421 2.526 4.371
3 HB2 GLU 1 2HB GLU 1 2.263 4.671 3.497
4 HB3 GLU 1 3HB GLU 1 2.098 3.305 2.403
5 HG2 GLU 1 2HG GLU 1 0.367 4.451 1.586
6 HG3 GLU 1 3HG GLU 1 -0.497 3.812 2.984
7 H MET 2 HN MET 2 1.432 0.786 5.760
8 HA MET 2 HA MET 2 3.954 -0.187 4.603
9 HB2 MET 2 2HB MET 2 2.822 -1.549 6.969
10 HB3 MET 2 3HB MET 2 4.487 -1.110 6.610
11 HG2 MET 2 2HG MET 2 3.395 1.332 6.985
12 HG3 MET 2 3HG MET 2 2.415 0.358 8.080
13 HE1 MET 2 1HE MET 2 6.530 -0.527 7.622
14 HE2 MET 2 2HE MET 2 5.840 0.826 6.725
15 HE3 MET 2 3HE MET 2 6.876 1.130 8.120
16 H CYS 3 HN CYS 3 3.884 -1.828 3.224
17 HA CYS 3 HA CYS 3 1.677 -2.996 2.164
18 HB2 CYS 3 2HB CYS 3 3.958 -3.276 1.268
19 HB3 CYS 3 3HB CYS 3 4.337 -4.372 2.593
20 H ASP 4 HN ASP 4 0.079 -4.162 2.977
21 HA ASP 4 HA ASP 4 0.060 -5.235 5.568
22 HB2 ASP 4 2HB ASP 4 -1.870 -4.672 3.802
23 HB3 ASP 4 3HB ASP 4 -1.763 -6.409 3.536
24 H VAL 5 HN VAL 5 1.596 -6.371 2.826
25 HA VAL 5 HA VAL 5 1.535 -9.159 3.765
26 HB VAL 5 HB VAL 5 2.431 -8.081 1.088
27 HG11 VAL 5 1HG1 VAL 5 3.660 -10.008 1.278
28 HG12 VAL 5 2HG1 VAL 5 2.472 -10.792 2.321
29 HG13 VAL 5 3HG1 VAL 5 2.165 -10.645 0.591
30 HG21 VAL 5 1HG2 VAL 5 0.408 -9.194 0.226
31 HG22 VAL 5 2HG2 VAL 5 -0.070 -9.571 1.882
32 HG23 VAL 5 3HG2 VAL 5 0.030 -7.891 1.354
33 H CYS 6 HN CYS 6 3.334 -6.457 4.117
34 HA CYS 6 HA CYS 6 5.704 -7.994 4.807
35 HB2 CYS 6 2HB CYS 6 5.866 -5.611 2.948
36 HB3 CYS 6 3HB CYS 6 7.229 -6.529 3.582
37 H GLU 7 HN GLU 7 4.559 -4.630 4.463
38 HA GLU 7 HA GLU 7 4.236 -3.031 6.087
39 HB2 GLU 7 2HB GLU 7 5.612 -4.734 8.137
40 HB3 GLU 7 3HB GLU 7 4.364 -3.518 8.368
41 HG2 GLU 7 2HG GLU 7 3.198 -5.462 6.747
42 HG3 GLU 7 3HG GLU 7 4.112 -6.353 7.963
43 H VAL 8 HN VAL 8 6.053 -2.402 4.476
44 HA VAL 8 HA VAL 8 8.065 -1.060 5.961
45 HB VAL 8 HB VAL 8 9.780 -2.408 4.241
46 HG11 VAL 8 1HG1 VAL 8 10.544 -1.688 6.334
47 HG12 VAL 8 2HG1 VAL 8 9.275 -2.559 7.197
48 HG13 VAL 8 3HG1 VAL 8 10.593 -3.447 6.431
49 HG21 VAL 8 1HG2 VAL 8 9.432 -4.683 4.373
50 HG22 VAL 8 2HG2 VAL 8 8.382 -4.549 5.784
51 HG23 VAL 8 3HG2 VAL 8 7.781 -4.087 4.191
52 H TRP 9 HN TRP 9 7.498 0.782 4.899
53 HA TRP 9 HA TRP 9 7.111 0.927 2.084
54 HB2 TRP 9 2HB TRP 9 6.047 2.743 2.876
55 HB3 TRP 9 3HB TRP 9 6.994 2.746 4.361
56 HD1 TRP 9 1HD TRP 9 9.287 4.178 4.348
57 HE1 TRP 9 1HE TRP 9 10.023 6.176 2.901
58 HE3 TRP 9 3HE TRP 9 5.875 3.743 0.566
59 HZ2 TRP 9 2HZ TRP 9 9.259 7.405 0.477
60 HZ3 TRP 9 3HZ TRP 9 5.945 5.370 -1.279
61 HH2 TRP 9 2HH TRP 9 7.602 7.162 -1.321
62 H THR 10 HN THR 10 8.451 1.678 0.478
63 HA THR 10 HA THR 10 11.307 1.752 1.164
64 HB THR 10 HB THR 10 11.377 1.614 -1.507
65 HG1 THR 10 1HG THR 10 9.594 0.802 -2.362
66 HG21 THR 10 1HG2 THR 10 11.871 -0.675 -1.288
67 HG22 THR 10 2HG2 THR 10 10.755 -0.873 0.064
68 HG23 THR 10 3HG2 THR 10 12.262 0.015 0.287
69 H ALA 11 HN ALA 11 10.042 3.013 -1.825
70 HA ALA 11 HA ALA 11 9.647 5.666 -1.342
71 HB1 ALA 11 1HB ALA 11 12.493 4.956 -1.123
72 HB2 ALA 11 2HB ALA 11 12.137 6.360 -2.130
73 HB3 ALA 11 3HB ALA 11 11.606 6.323 -0.449
74 H GLU 12 HN GLU 12 11.524 3.500 -3.424
75 HA GLU 12 HA GLU 12 11.577 4.843 -5.789
76 HB2 GLU 12 2HB GLU 12 10.718 1.983 -5.871
77 HB3 GLU 12 3HB GLU 12 11.925 2.815 -6.842
78 HG2 GLU 12 2HG GLU 12 13.265 2.980 -4.658
79 HG3 GLU 12 3HG GLU 12 12.166 1.738 -4.062
80 H SER 13 HN SER 13 8.824 3.091 -4.428
81 HA SER 13 HA SER 13 6.795 4.646 -5.274
82 HB2 SER 13 2HB SER 13 7.941 3.174 -7.552
83 HB3 SER 13 3HB SER 13 6.191 3.031 -7.398
84 HG SER 13 HG SER 13 7.481 5.536 -7.244
85 H LEU 14 HN LEU 14 6.050 3.696 -3.350
86 HA LEU 14 HA LEU 14 5.477 0.863 -3.275
87 HB2 LEU 14 2HB LEU 14 6.036 2.719 -1.361
88 HB3 LEU 14 3HB LEU 14 4.284 2.581 -1.218
89 HG LEU 14 HG LEU 14 6.412 0.637 -0.530
90 HD11 LEU 14 1HD1 LEU 14 4.842 0.138 1.286
91 HD12 LEU 14 2HD1 LEU 14 3.681 1.265 0.583
92 HD13 LEU 14 3HD1 LEU 14 5.225 1.857 1.198
93 HD21 LEU 14 1HD2 LEU 14 5.446 -0.775 -2.085
94 HD22 LEU 14 2HD2 LEU 14 3.835 -0.095 -1.858
95 HD23 LEU 14 3HD2 LEU 14 4.531 -1.145 -0.623
96 H PHE 15 HN PHE 15 3.597 -0.086 -3.751
97 HA PHE 15 HA PHE 15 1.451 1.525 -4.820
98 HB2 PHE 15 2HB PHE 15 2.073 -1.399 -4.717
99 HB3 PHE 15 3HB PHE 15 0.418 -0.892 -5.038
100 HD1 PHE 15 1HD PHE 15 0.138 -1.513 -7.271
101 HD2 PHE 15 2HD PHE 15 3.542 0.774 -6.131
102 HE1 PHE 15 1HE PHE 15 0.703 -1.178 -9.642
103 HE2 PHE 15 2HE PHE 15 4.112 1.113 -8.500
104 HZ PHE 15 HZ PHE 15 2.691 0.138 -10.260
105 HA PRO 16 HA PRO 16 -0.781 0.874 -5.327
106 HB2 PRO 16 2HB PRO 16 -2.798 2.642 -4.901
107 HB3 PRO 16 3HB PRO 16 -2.989 0.897 -4.690
108 HG2 PRO 16 2HG PRO 16 -2.508 3.014 -2.628
109 HG3 PRO 16 3HG PRO 16 -3.619 1.633 -2.576
110 HD2 PRO 16 2HD PRO 16 -1.221 1.621 -1.321
111 HD3 PRO 16 3HD PRO 16 -1.952 0.151 -1.999
112 H CYS 17 HN CYS 17 -1.380 3.034 -6.575
113 HA CYS 17 HA CYS 17 0.766 4.541 -7.028
114 HB2 CYS 17 2HB CYS 17 -0.771 6.448 -7.633
115 HB3 CYS 17 3HB CYS 17 -1.188 4.897 -8.353
116 H ARG 18 HN ARG 18 -1.654 5.398 -4.560
117 HA ARG 18 HA ARG 18 -0.072 6.115 -2.506
118 HB2 ARG 18 2HB ARG 18 1.236 7.769 -3.305
119 HB3 ARG 18 3HB ARG 18 0.179 8.065 -4.679
120 HG2 ARG 18 2HG ARG 18 0.415 9.997 -3.144
121 HG3 ARG 18 3HG ARG 18 -1.251 9.458 -3.366
122 HD2 ARG 18 2HD ARG 18 -1.480 9.007 -1.195
123 HD3 ARG 18 3HD ARG 18 0.028 8.096 -1.156
124 HE ARG 18 HE ARG 18 1.000 9.903 -0.175
125 HH11 ARG 18 1HH1 ARG 18 -1.783 10.993 -1.960
126 HH12 ARG 18 2HH1 ARG 18 -1.631 12.640 -1.444
127 HH21 ARG 18 1HH2 ARG 18 1.210 12.068 0.511
128 HH22 ARG 18 2HH2 ARG 18 0.072 13.251 -0.040
129 H VAL 19 HN VAL 19 -2.448 8.012 -4.378
130 HA VAL 19 HA VAL 19 -3.922 8.944 -2.206
131 HB VAL 19 HB VAL 19 -4.540 10.066 -4.088
132 HG11 VAL 19 1HG1 VAL 19 -5.195 8.486 -6.191
133 HG12 VAL 19 2HG1 VAL 19 -3.593 9.173 -5.921
134 HG13 VAL 19 3HG1 VAL 19 -3.940 7.517 -5.418
135 HG21 VAL 19 1HG2 VAL 19 -6.546 8.795 -2.951
136 HG22 VAL 19 2HG2 VAL 19 -6.789 9.759 -4.407
137 HG23 VAL 19 3HG2 VAL 19 -6.643 8.005 -4.525
138 H CYS 20 HN CYS 20 -4.686 6.183 -4.334
139 HA CYS 20 HA CYS 20 -6.949 5.253 -3.097
140 HB2 CYS 20 2HB CYS 20 -4.751 3.482 -4.181
141 HB3 CYS 20 3HB CYS 20 -6.460 3.084 -4.045
142 H THR 21 HN THR 21 -7.449 4.140 -1.289
143 HA THR 21 HA THR 21 -5.670 4.138 0.893
144 HB THR 21 HB THR 21 -7.410 2.653 1.989
145 HG1 THR 21 1HG THR 21 -9.346 3.135 0.190
146 HG21 THR 21 1HG2 THR 21 -8.040 5.323 0.779
147 HG22 THR 21 2HG2 THR 21 -7.651 4.924 2.452
148 HG23 THR 21 3HG2 THR 21 -9.223 4.487 1.784
149 H ARG 22 HN ARG 22 -5.520 1.955 2.237
150 HA ARG 22 HA ARG 22 -4.483 -0.055 2.477
151 HB2 ARG 22 2HB ARG 22 -5.614 -0.485 -0.291
152 HB3 ARG 22 3HB ARG 22 -4.819 -1.741 0.649
153 HG2 ARG 22 2HG ARG 22 -7.045 -0.305 1.961
154 HG3 ARG 22 3HG ARG 22 -7.460 -1.387 0.630
155 HD2 ARG 22 2HD ARG 22 -5.762 -2.965 1.985
156 HD3 ARG 22 3HD ARG 22 -6.392 -1.996 3.317
157 HE ARG 22 HE ARG 22 -8.483 -2.990 1.660
158 HH11 ARG 22 1HH1 ARG 22 -6.265 -3.885 4.189
159 HH12 ARG 22 2HH1 ARG 22 -7.282 -5.140 4.816
160 HH21 ARG 22 1HH2 ARG 22 -9.831 -4.639 2.477
161 HH22 ARG 22 2HH2 ARG 22 -9.310 -5.568 3.840
162 H VAL 23 HN VAL 23 -2.566 -1.230 1.891
163 HA VAL 23 HA VAL 23 -0.934 -0.037 -0.230
164 HB VAL 23 HB VAL 23 1.022 0.110 1.246
165 HG11 VAL 23 1HG1 VAL 23 -1.135 1.855 1.126
166 HG12 VAL 23 2HG1 VAL 23 -0.729 1.771 2.841
167 HG13 VAL 23 3HG1 VAL 23 0.502 2.233 1.664
168 HG21 VAL 23 1HG2 VAL 23 -0.948 -0.739 3.356
169 HG22 VAL 23 2HG2 VAL 23 0.580 -1.504 2.918
170 HG23 VAL 23 3HG2 VAL 23 0.578 0.057 3.739
171 H PHE 24 HN PHE 24 0.084 -1.534 -1.394
172 HA PHE 24 HA PHE 24 0.909 -4.043 -0.171
173 HB2 PHE 24 2HB PHE 24 -0.227 -4.845 -2.612
174 HB3 PHE 24 3HB PHE 24 -0.802 -5.226 -0.992
175 HD1 PHE 24 1HD PHE 24 -0.989 -2.527 -3.553
176 HD2 PHE 24 2HD PHE 24 -2.939 -4.612 -0.396
177 HE1 PHE 24 1HE PHE 24 -3.054 -1.263 -3.996
178 HE2 PHE 24 2HE PHE 24 -5.006 -3.351 -0.834
179 HZ PHE 24 HZ PHE 24 -5.065 -1.675 -2.638
180 H HIS 25 HN HIS 25 2.077 -5.428 -1.887
181 HA HIS 25 HA HIS 25 3.838 -3.627 -3.392
182 HB2 HIS 25 2HB HIS 25 4.232 -6.427 -2.335
183 HB3 HIS 25 3HB HIS 25 5.368 -5.651 -3.435
184 HD2 HIS 25 2HD HIS 25 4.144 -3.078 -0.956
185 HE1 HIS 25 1HE HIS 25 7.708 -4.692 0.686
186 HE2 HIS 25 2HE HIS 25 5.947 -2.904 0.891
187 H ASP 26 HN ASP 26 4.785 -4.608 -5.427
188 HA ASP 26 HA ASP 26 2.618 -5.321 -7.169
189 HB2 ASP 26 2HB ASP 26 4.539 -5.441 -8.882
190 HB3 ASP 26 3HB ASP 26 4.186 -3.878 -8.153
191 H GLY 27 HN GLY 27 5.246 -6.998 -5.595
192 HA2 GLY 27 1HA GLY 27 4.780 -9.422 -7.155
193 HA3 GLY 27 2HA GLY 27 6.039 -9.184 -5.951
194 H CYS 28 HN CYS 28 4.190 -8.154 -3.938
195 HA CYS 28 HA CYS 28 3.525 -10.589 -2.682
196 HB2 CYS 28 2HB CYS 28 2.713 -7.739 -2.098
197 HB3 CYS 28 3HB CYS 28 2.279 -9.096 -1.063
198 H LEU 29 HN LEU 29 1.569 -8.205 -4.418
199 HA LEU 29 HA LEU 29 -0.932 -9.418 -3.913
200 HB2 LEU 29 2HB LEU 29 -0.060 -7.646 -6.190
201 HB3 LEU 29 3HB LEU 29 -1.731 -8.060 -5.812
202 HG LEU 29 HG LEU 29 0.057 -6.602 -3.879
203 HD11 LEU 29 1HD1 LEU 29 -1.747 -4.774 -4.900
204 HD12 LEU 29 2HD1 LEU 29 -1.163 -5.635 -6.324
205 HD13 LEU 29 3HD1 LEU 29 -0.018 -4.844 -5.240
206 HD21 LEU 29 1HD2 LEU 29 -2.420 -5.816 -3.306
207 HD22 LEU 29 2HD2 LEU 29 -1.708 -7.275 -2.618
208 HD23 LEU 29 3HD2 LEU 29 -2.797 -7.393 -4.001
209 H ARG 30 HN ARG 30 1.633 -10.184 -6.068
210 HA ARG 30 HA ARG 30 -0.073 -11.841 -7.761
211 HB2 ARG 30 2HB ARG 30 1.427 -11.292 -9.319
212 HB3 ARG 30 3HB ARG 30 2.410 -10.472 -8.113
213 HG2 ARG 30 2HG ARG 30 3.509 -12.603 -7.582
214 HG3 ARG 30 3HG ARG 30 2.550 -13.391 -8.837
215 HD2 ARG 30 2HD ARG 30 3.594 -11.338 -10.241
216 HD3 ARG 30 3HD ARG 30 4.882 -11.600 -9.065
217 HE ARG 30 HE ARG 30 4.058 -14.053 -10.225
218 HH11 ARG 30 1HH1 ARG 30 5.898 -11.171 -10.883
219 HH12 ARG 30 2HH1 ARG 30 6.942 -11.943 -12.030
220 HH21 ARG 30 1HH2 ARG 30 5.426 -15.080 -11.734
221 HH22 ARG 30 2HH2 ARG 30 6.671 -14.166 -12.514
222 H ARG 31 HN ARG 31 2.012 -12.093 -5.049
223 HA ARG 31 HA ARG 31 2.441 -14.952 -5.402
224 HB2 ARG 31 2HB ARG 31 3.857 -12.894 -4.113
225 HB3 ARG 31 3HB ARG 31 3.262 -13.938 -2.827
226 HG2 ARG 31 2HG ARG 31 4.230 -15.873 -4.159
227 HG3 ARG 31 3HG ARG 31 5.062 -14.648 -5.120
228 HD2 ARG 31 2HD ARG 31 5.575 -13.875 -2.526
229 HD3 ARG 31 3HD ARG 31 5.634 -15.635 -2.439
230 HE ARG 31 HE ARG 31 7.612 -13.974 -3.523
231 HH11 ARG 31 1HH1 ARG 31 5.894 -16.907 -4.276
232 HH12 ARG 31 2HH1 ARG 31 7.192 -17.582 -5.205
233 HH21 ARG 31 1HH2 ARG 31 9.327 -14.853 -4.744
234 HH22 ARG 31 2HH2 ARG 31 9.144 -16.413 -5.469
235 H MET 32 HN MET 32 0.568 -12.728 -3.438
236 HA MET 32 HA MET 32 -0.452 -14.833 -1.735
237 HB2 MET 32 2HB MET 32 -1.247 -11.924 -1.962
238 HB3 MET 32 3HB MET 32 -1.810 -13.038 -0.723
239 HG2 MET 32 2HG MET 32 1.034 -12.152 -1.153
240 HG3 MET 32 3HG MET 32 -0.050 -11.601 0.122
241 HE1 MET 32 1HE MET 32 -0.302 -12.979 2.503
242 HE2 MET 32 2HE MET 32 -1.479 -13.607 1.350
243 HE3 MET 32 3HE MET 32 -0.522 -14.720 2.327
244 H GLY 33 HN GLY 33 -1.022 -14.100 -4.836
245 HA2 GLY 33 1HA GLY 33 -2.698 -14.738 -6.279
246 HA3 GLY 33 2HA GLY 33 -3.499 -15.504 -4.915
247 H TYR 34 HN TYR 34 -2.709 -12.178 -4.580
248 HA TYR 34 HA TYR 34 -5.438 -11.452 -4.250
249 HB2 TYR 34 2HB TYR 34 -2.819 -10.045 -4.142
250 HB3 TYR 34 3HB TYR 34 -4.256 -9.058 -4.383
251 HD1 TYR 34 1HD TYR 34 -6.281 -10.163 -2.730
252 HD2 TYR 34 2HD TYR 34 -2.104 -9.916 -1.956
253 HE1 TYR 34 1HE TYR 34 -6.731 -10.222 -0.313
254 HE2 TYR 34 2HE TYR 34 -2.543 -9.977 0.463
255 HH TYR 34 HH TYR 34 -5.850 -10.000 1.730
256 H ILE 35 HN ILE 35 -3.153 -11.238 -6.885
257 HA ILE 35 HA ILE 35 -5.301 -10.153 -8.583
258 HB ILE 35 HB ILE 35 -3.543 -9.018 -9.938
259 HG12 ILE 35 2HG1 ILE 35 -1.571 -8.842 -7.836
260 HG13 ILE 35 3HG1 ILE 35 -1.812 -10.521 -8.306
261 HG21 ILE 35 1HG2 ILE 35 -4.506 -7.382 -8.740
262 HG22 ILE 35 2HG2 ILE 35 -4.389 -8.282 -7.229
263 HG23 ILE 35 3HG2 ILE 35 -2.994 -7.391 -7.833
264 HD11 ILE 35 1HD1 ILE 35 -0.007 -9.238 -9.522
265 HD12 ILE 35 2HD1 ILE 35 -1.177 -10.096 -10.525
266 HD13 ILE 35 3HD1 ILE 35 -1.310 -8.351 -10.314
267 H GLN 36 HN GLN 36 -4.994 -10.641 -10.911
268 HA GLN 36 HA GLN 36 -3.427 -13.068 -11.407
269 HB2 GLN 36 2HB GLN 36 -5.431 -13.923 -12.744
270 HB3 GLN 36 3HB GLN 36 -5.534 -14.022 -10.991
271 HG2 GLN 36 2HG GLN 36 -7.339 -12.739 -10.941
272 HG3 GLN 36 3HG GLN 36 -6.583 -11.516 -11.961
273 HE21 GLN 36 1HE2 GLN 36 -7.976 -11.072 -13.518
274 HE22 GLN 36 2HE2 GLN 36 -8.790 -12.230 -14.508
275 H GLY 37 HN GLY 37 -2.110 -11.328 -12.430
276 HA2 GLY 37 1HA GLY 37 -1.731 -11.358 -14.996
277 HA3 GLY 37 2HA GLY 37 -3.208 -10.406 -14.996
278 H ASP 38 HN ASP 38 0.193 -10.417 -14.403
279 HA ASP 38 HA ASP 38 0.084 -7.514 -13.905
280 HB2 ASP 38 2HB ASP 38 2.404 -7.963 -12.809
281 HB3 ASP 38 3HB ASP 38 0.940 -8.326 -11.899
282 H SER 39 HN SER 39 1.274 -6.225 -15.197
283 HA SER 39 HA SER 39 3.615 -6.866 -16.544
284 HB2 SER 39 2HB SER 39 2.647 -7.043 -18.905
285 HB3 SER 39 3HB SER 39 2.498 -8.472 -17.884
286 HG SER 39 HG SER 39 0.353 -7.147 -17.380
287 H ALA 40 HN ALA 40 1.027 -5.471 -18.424
288 HA ALA 40 HA ALA 40 1.008 -3.384 -19.428
289 HB1 ALA 40 1HB ALA 40 -0.541 -3.187 -17.590
290 HB2 ALA 40 2HB ALA 40 0.771 -2.767 -16.486
291 HB3 ALA 40 3HB ALA 40 0.328 -1.665 -17.791
292 H ALA 41 HN ALA 41 2.124 -1.471 -16.935
293 HA ALA 41 HA ALA 41 4.931 -1.554 -17.466
294 HB1 ALA 41 1HB ALA 41 3.325 0.689 -18.680
295 HB2 ALA 41 2HB ALA 41 5.080 0.693 -18.505
296 HB3 ALA 41 3HB ALA 41 4.299 -0.506 -19.536
297 H GLU 42 HN GLU 42 5.473 -1.363 -15.372
298 HA GLU 42 HA GLU 42 5.122 1.165 -14.069
299 HB2 GLU 42 2HB GLU 42 4.117 -0.026 -11.989
300 HB3 GLU 42 3HB GLU 42 3.052 0.457 -13.301
301 HG2 GLU 42 2HG GLU 42 2.430 -1.636 -13.693
302 HG3 GLU 42 3HG GLU 42 4.095 -2.212 -13.692
303 H VAL 43 HN VAL 43 7.471 0.532 -14.593
304 HA VAL 43 HA VAL 43 8.793 -1.412 -13.023
305 HB VAL 43 HB VAL 43 9.888 1.070 -14.353
306 HG11 VAL 43 1HG1 VAL 43 11.329 0.255 -12.521
307 HG12 VAL 43 2HG1 VAL 43 11.390 -1.325 -13.302
308 HG13 VAL 43 3HG1 VAL 43 12.080 0.085 -14.107
309 HG21 VAL 43 1HG2 VAL 43 10.694 -0.577 -16.045
310 HG22 VAL 43 2HG2 VAL 43 9.732 -1.811 -15.229
311 HG23 VAL 43 3HG2 VAL 43 8.939 -0.421 -15.970
312 H THR 44 HN THR 44 9.371 2.086 -12.780
313 HA THR 44 HA THR 44 8.623 2.437 -10.120
314 HB THR 44 HB THR 44 10.769 0.784 -10.107
315 HG1 THR 44 1HG THR 44 9.833 1.119 -8.189
316 HG21 THR 44 1HG2 THR 44 12.202 2.526 -11.136
317 HG22 THR 44 2HG2 THR 44 12.762 2.032 -9.538
318 HG23 THR 44 3HG2 THR 44 11.902 3.559 -9.739
319 H GLU 45 HN GLU 45 8.831 4.552 -9.496
320 HA GLU 45 HA GLU 45 10.682 6.314 -10.863
321 HB2 GLU 45 2HB GLU 45 7.756 6.287 -11.405
322 HB3 GLU 45 3HB GLU 45 8.538 7.855 -11.263
323 HG2 GLU 45 2HG GLU 45 10.207 6.385 -12.927
324 HG3 GLU 45 3HG GLU 45 8.573 5.969 -13.441
325 H MET 46 HN MET 46 7.667 7.424 -9.499
326 HA MET 46 HA MET 46 8.812 7.885 -6.880
327 HB2 MET 46 2HB MET 46 7.851 10.424 -7.494
328 HB3 MET 46 3HB MET 46 9.536 9.957 -7.311
329 HG2 MET 46 2HG MET 46 9.837 9.713 -9.620
330 HG3 MET 46 3HG MET 46 8.103 9.695 -9.928
331 HE1 MET 46 1HE MET 46 11.063 11.550 -8.641
332 HE2 MET 46 2HE MET 46 10.839 13.230 -9.129
333 HE3 MET 46 3HE MET 46 10.073 12.630 -7.658
334 H ALA 47 HN ALA 47 7.199 7.033 -5.721
335 HA ALA 47 HA ALA 47 4.535 6.815 -6.378
336 HB1 ALA 47 1HB ALA 47 4.667 5.621 -4.511
337 HB2 ALA 47 2HB ALA 47 6.133 6.465 -4.009
338 HB3 ALA 47 3HB ALA 47 4.551 7.130 -3.605
339 H HIS 48 HN HIS 48 6.221 9.534 -4.937
340 HA HIS 48 HA HIS 48 3.694 11.043 -4.887
341 HB2 HIS 48 2HB HIS 48 6.256 11.782 -3.470
342 HB3 HIS 48 3HB HIS 48 4.655 12.477 -3.226
343 HD1 HIS 48 1HD HIS 48 3.685 11.713 -1.099
344 HD2 HIS 48 2HD HIS 48 6.013 8.760 -2.865
345 HE1 HIS 48 1HE HIS 48 3.559 9.739 0.455
346 H THR 49 HN THR 49 4.365 13.567 -5.027
347 HA THR 49 HA THR 49 5.144 15.286 -6.319
348 HB THR 49 HB THR 49 6.987 13.709 -7.988
349 HG1 THR 49 1HG THR 49 7.771 14.064 -5.306
350 HG21 THR 49 1HG2 THR 49 6.906 16.297 -6.546
351 HG22 THR 49 2HG2 THR 49 7.465 15.926 -8.177
352 HG23 THR 49 3HG2 THR 49 8.492 15.567 -6.790
353 H GLU 50 HN GLU 50 5.493 12.458 -8.466
354 HA GLU 50 HA GLU 50 3.927 13.824 -10.498
355 HB2 GLU 50 2HB GLU 50 4.588 11.992 -11.965
356 HB3 GLU 50 3HB GLU 50 5.991 12.662 -11.147
357 HG2 GLU 50 2HG GLU 50 6.097 10.812 -9.650
358 HG3 GLU 50 3HG GLU 50 4.550 10.192 -10.222
359 H THR 51 HN THR 51 1.995 13.085 -11.349
360 HA THR 51 HA THR 51 0.645 10.959 -9.819
361 HB THR 51 HB THR 51 -1.469 12.166 -10.064
362 HG1 THR 51 1HG THR 51 -1.585 14.083 -11.109
363 HG21 THR 51 1HG2 THR 51 -1.139 13.613 -8.307
364 HG22 THR 51 2HG2 THR 51 0.377 14.232 -8.962
365 HG23 THR 51 3HG2 THR 51 0.330 12.643 -8.200
366 H GLY 52 HN GLY 52 0.198 9.266 -11.059
367 HA2 GLY 52 1HA GLY 52 -1.393 8.996 -13.167
368 HA3 GLY 52 2HA GLY 52 0.062 9.588 -13.955
369 H TRP 53 HN TRP 53 0.042 7.475 -11.150
370 HA TRP 53 HA TRP 53 1.397 5.438 -12.769
371 HB2 TRP 53 2HB TRP 53 2.159 6.530 -10.403
372 HB3 TRP 53 3HB TRP 53 1.287 5.108 -9.835
373 HD1 TRP 53 1HD TRP 53 2.919 3.202 -9.389
374 HE1 TRP 53 1HE TRP 53 5.059 2.295 -10.494
375 HE3 TRP 53 3HE TRP 53 3.375 6.598 -13.183
376 HZ2 TRP 53 2HZ TRP 53 6.721 2.935 -12.684
377 HZ3 TRP 53 3HZ TRP 53 5.269 6.380 -14.739
378 HH2 TRP 53 2HH TRP 53 6.906 4.585 -14.493
379 H SER 54 HN SER 54 0.764 3.279 -12.734
380 HA SER 54 HA SER 54 -2.059 2.868 -12.260
381 HB2 SER 54 2HB SER 54 -0.805 0.429 -12.991
382 HB3 SER 54 3HB SER 54 -1.803 1.478 -13.996
383 HG SER 54 HG SER 54 -0.028 1.769 -15.079
384 H CYS 55 HN CYS 55 -2.954 1.264 -10.919
385 HA CYS 55 HA CYS 55 -1.329 -0.290 -9.145
386 HB2 CYS 55 2HB CYS 55 -1.419 0.899 -7.222
387 HB3 CYS 55 3HB CYS 55 -1.642 2.273 -8.301
388 H HIS 56 HN HIS 56 -3.014 -0.957 -7.183
389 HA HIS 56 HA HIS 56 -4.769 -2.758 -8.272
390 HB2 HIS 56 2HB HIS 56 -4.352 -1.584 -5.619
391 HB3 HIS 56 3HB HIS 56 -6.000 -2.144 -5.888
392 HD1 HIS 56 1HD HIS 56 -5.432 -3.970 -4.037
393 HD2 HIS 56 2HD HIS 56 -3.344 -4.317 -7.612
394 HE1 HIS 56 1HE HIS 56 -4.468 -6.291 -4.029
395 H TYR 57 HN TYR 57 -6.170 -0.121 -6.383
396 HA TYR 57 HA TYR 57 -8.472 -0.085 -8.137
397 HB2 TYR 57 2HB TYR 57 -7.876 1.507 -5.635
398 HB3 TYR 57 3HB TYR 57 -9.417 1.488 -6.485
399 HD1 TYR 57 1HD TYR 57 -10.925 -0.379 -6.285
400 HD2 TYR 57 2HD TYR 57 -7.124 -0.458 -4.374
401 HE1 TYR 57 1HE TYR 57 -11.641 -2.319 -4.953
402 HE2 TYR 57 2HE TYR 57 -7.830 -2.398 -3.037
403 HH TYR 57 HH TYR 57 -9.416 -3.931 -2.711
404 H CYS 58 HN CYS 58 -6.496 0.700 -9.693
405 HA CYS 58 HA CYS 58 -6.706 3.638 -9.813
406 HB2 CYS 58 2HB CYS 58 -4.412 1.939 -9.889
407 HB3 CYS 58 3HB CYS 58 -4.574 2.717 -11.460
408 H ASP 59 HN ASP 59 -7.360 0.675 -11.377
409 HA ASP 59 HA ASP 59 -8.850 1.930 -13.439
410 HB2 ASP 59 2HB ASP 59 -6.067 1.150 -14.021
411 HB3 ASP 59 3HB ASP 59 -7.259 0.554 -15.175
412 H ASN 60 HN ASN 60 -10.498 0.584 -12.815
413 HA ASN 60 HA ASN 60 -10.445 -2.077 -13.897
414 HB2 ASN 60 2HB ASN 60 -10.738 -1.696 -10.908
415 HB3 ASN 60 3HB ASN 60 -11.058 -3.201 -11.768
416 HD21 ASN 60 1HD2 ASN 60 -9.206 -4.003 -13.113
417 HD22 ASN 60 2HD2 ASN 60 -7.627 -3.873 -12.426
Start of MODEL 15
1 H1 GLU 1 HN GLU 1 1.568 4.144 6.665
2 HA GLU 1 HA GLU 1 0.645 2.597 5.254
3 HB2 GLU 1 2HB GLU 1 1.556 4.603 3.485
4 HB3 GLU 1 3HB GLU 1 2.080 3.067 2.811
5 HG2 GLU 1 2HG GLU 1 -0.304 2.276 3.124
6 HG3 GLU 1 3HG GLU 1 -0.714 3.961 3.439
7 H MET 2 HN MET 2 1.272 0.583 5.613
8 HA MET 2 HA MET 2 3.945 -0.248 4.722
9 HB2 MET 2 2HB MET 2 2.958 -1.593 7.146
10 HB3 MET 2 3HB MET 2 4.580 -1.045 6.742
11 HG2 MET 2 2HG MET 2 3.505 1.326 7.136
12 HG3 MET 2 3HG MET 2 2.374 0.391 8.110
13 HE1 MET 2 1HE MET 2 5.722 1.445 7.264
14 HE2 MET 2 2HE MET 2 6.228 2.075 8.832
15 HE3 MET 2 3HE MET 2 6.808 0.501 8.284
16 H CYS 3 HN CYS 3 3.699 -1.767 3.233
17 HA CYS 3 HA CYS 3 1.535 -3.032 2.330
18 HB2 CYS 3 2HB CYS 3 3.792 -3.351 1.390
19 HB3 CYS 3 3HB CYS 3 4.202 -4.404 2.741
20 H ASP 4 HN ASP 4 -0.055 -4.141 3.229
21 HA ASP 4 HA ASP 4 -0.013 -5.157 5.842
22 HB2 ASP 4 2HB ASP 4 -2.011 -4.562 4.250
23 HB3 ASP 4 3HB ASP 4 -1.896 -6.257 3.787
24 H VAL 5 HN VAL 5 1.422 -6.378 3.079
25 HA VAL 5 HA VAL 5 1.340 -9.146 4.071
26 HB VAL 5 HB VAL 5 2.225 -8.130 1.366
27 HG11 VAL 5 1HG1 VAL 5 1.997 -10.624 0.825
28 HG12 VAL 5 2HG1 VAL 5 3.417 -10.110 1.738
29 HG13 VAL 5 3HG1 VAL 5 2.062 -10.875 2.569
30 HG21 VAL 5 1HG2 VAL 5 -0.074 -7.858 1.330
31 HG22 VAL 5 2HG2 VAL 5 0.118 -9.493 0.700
32 HG23 VAL 5 3HG2 VAL 5 -0.359 -9.246 2.380
33 H CYS 6 HN CYS 6 3.206 -6.452 4.289
34 HA CYS 6 HA CYS 6 5.557 -8.023 4.989
35 HB2 CYS 6 2HB CYS 6 5.711 -5.679 3.080
36 HB3 CYS 6 3HB CYS 6 7.080 -6.586 3.717
37 H GLU 7 HN GLU 7 4.474 -4.642 4.607
38 HA GLU 7 HA GLU 7 4.210 -3.008 6.205
39 HB2 GLU 7 2HB GLU 7 5.562 -4.712 8.272
40 HB3 GLU 7 3HB GLU 7 4.344 -3.463 8.492
41 HG2 GLU 7 2HG GLU 7 3.158 -5.446 6.899
42 HG3 GLU 7 3HG GLU 7 4.012 -6.285 8.192
43 H VAL 8 HN VAL 8 5.863 -2.103 4.763
44 HA VAL 8 HA VAL 8 8.055 -1.071 6.233
45 HB VAL 8 HB VAL 8 9.522 -2.169 4.121
46 HG11 VAL 8 1HG1 VAL 8 10.503 -1.696 6.226
47 HG12 VAL 8 2HG1 VAL 8 9.398 -2.789 7.064
48 HG13 VAL 8 3HG1 VAL 8 10.639 -3.438 5.991
49 HG21 VAL 8 1HG2 VAL 8 8.237 -4.460 5.551
50 HG22 VAL 8 2HG2 VAL 8 7.506 -3.803 4.086
51 HG23 VAL 8 3HG2 VAL 8 9.144 -4.453 4.039
52 H TRP 9 HN TRP 9 8.311 0.922 5.488
53 HA TRP 9 HA TRP 9 7.969 1.416 2.609
54 HB2 TRP 9 2HB TRP 9 5.995 2.369 3.269
55 HB3 TRP 9 3HB TRP 9 6.574 2.696 4.900
56 HD1 TRP 9 1HD TRP 9 7.226 5.132 5.411
57 HE1 TRP 9 1HE TRP 9 7.562 7.267 4.014
58 HE3 TRP 9 3HE TRP 9 6.866 3.103 0.733
59 HZ2 TRP 9 2HZ TRP 9 7.659 7.994 1.289
60 HZ3 TRP 9 3HZ TRP 9 7.091 4.586 -1.216
61 HH2 TRP 9 2HH TRP 9 7.480 6.982 -0.942
62 H THR 10 HN THR 10 9.005 3.406 1.857
63 HA THR 10 HA THR 10 11.038 4.554 3.594
64 HB THR 10 HB THR 10 11.707 2.972 1.115
65 HG1 THR 10 1HG THR 10 12.184 1.625 2.683
66 HG21 THR 10 1HG2 THR 10 12.986 5.375 2.169
67 HG22 THR 10 2HG2 THR 10 13.209 4.561 0.620
68 HG23 THR 10 3HG2 THR 10 14.084 4.002 2.045
69 H ALA 11 HN ALA 11 11.226 4.540 0.103
70 HA ALA 11 HA ALA 11 9.665 6.813 -0.434
71 HB1 ALA 11 1HB ALA 11 12.476 7.322 0.396
72 HB2 ALA 11 2HB ALA 11 11.788 8.299 -0.903
73 HB3 ALA 11 3HB ALA 11 11.021 8.276 0.686
74 H GLU 12 HN GLU 12 10.526 4.207 -1.520
75 HA GLU 12 HA GLU 12 11.951 4.892 -3.958
76 HB2 GLU 12 2HB GLU 12 10.977 2.329 -2.736
77 HB3 GLU 12 3HB GLU 12 11.450 2.381 -4.429
78 HG2 GLU 12 2HG GLU 12 13.240 3.265 -2.183
79 HG3 GLU 12 3HG GLU 12 13.224 1.627 -2.835
80 H SER 13 HN SER 13 9.017 2.937 -3.472
81 HA SER 13 HA SER 13 7.278 4.583 -4.938
82 HB2 SER 13 2HB SER 13 7.160 3.499 -7.073
83 HB3 SER 13 3HB SER 13 8.855 3.892 -6.787
84 HG SER 13 HG SER 13 7.614 1.367 -6.409
85 H LEU 14 HN LEU 14 6.924 3.304 -2.610
86 HA LEU 14 HA LEU 14 5.991 0.765 -2.427
87 HB2 LEU 14 2HB LEU 14 5.747 3.120 -0.924
88 HB3 LEU 14 3HB LEU 14 4.109 2.501 -1.118
89 HG LEU 14 HG LEU 14 6.454 1.189 0.228
90 HD11 LEU 14 1HD1 LEU 14 4.954 1.088 2.121
91 HD12 LEU 14 2HD1 LEU 14 3.646 1.774 1.156
92 HD13 LEU 14 3HD1 LEU 14 5.067 2.748 1.534
93 HD21 LEU 14 1HD2 LEU 14 4.802 -0.729 0.559
94 HD22 LEU 14 2HD2 LEU 14 5.587 -0.596 -1.015
95 HD23 LEU 14 3HD2 LEU 14 3.923 -0.048 -0.809
96 H PHE 15 HN PHE 15 4.172 -0.377 -2.938
97 HA PHE 15 HA PHE 15 2.362 0.901 -4.862
98 HB2 PHE 15 2HB PHE 15 3.309 -1.897 -4.435
99 HB3 PHE 15 3HB PHE 15 1.718 -1.657 -5.148
100 HD1 PHE 15 1HD PHE 15 1.524 -1.354 -7.426
101 HD2 PHE 15 2HD PHE 15 5.263 -0.593 -5.539
102 HE1 PHE 15 1HE PHE 15 2.563 -1.005 -9.630
103 HE2 PHE 15 2HE PHE 15 6.306 -0.242 -7.738
104 HZ PHE 15 HZ PHE 15 4.956 -0.447 -9.788
105 HA PRO 16 HA PRO 16 0.434 -0.050 -5.880
106 HB2 PRO 16 2HB PRO 16 -1.817 1.451 -6.100
107 HB3 PRO 16 3HB PRO 16 -1.850 -0.296 -5.834
108 HG2 PRO 16 2HG PRO 16 -2.180 1.928 -3.857
109 HG3 PRO 16 3HG PRO 16 -3.095 0.417 -4.004
110 HD2 PRO 16 2HD PRO 16 -1.126 0.754 -2.177
111 HD3 PRO 16 3HD PRO 16 -1.475 -0.817 -2.925
112 H CYS 17 HN CYS 17 -0.488 2.796 -3.928
113 HA CYS 17 HA CYS 17 1.689 4.361 -4.864
114 HB2 CYS 17 2HB CYS 17 0.582 5.922 -6.282
115 HB3 CYS 17 3HB CYS 17 0.164 4.321 -6.884
116 H ARG 18 HN ARG 18 0.100 6.865 -4.712
117 HA ARG 18 HA ARG 18 -0.285 6.890 -1.793
118 HB2 ARG 18 2HB ARG 18 1.178 8.579 -1.823
119 HB3 ARG 18 3HB ARG 18 1.183 8.610 -3.581
120 HG2 ARG 18 2HG ARG 18 0.549 10.767 -2.672
121 HG3 ARG 18 3HG ARG 18 -0.791 10.045 -3.565
122 HD2 ARG 18 2HD ARG 18 -2.094 10.120 -1.768
123 HD3 ARG 18 3HD ARG 18 -0.902 9.236 -0.817
124 HE ARG 18 HE ARG 18 0.000 11.843 -0.968
125 HH11 ARG 18 1HH1 ARG 18 -2.793 10.171 0.266
126 HH12 ARG 18 2HH1 ARG 18 -3.085 11.320 1.529
127 HH21 ARG 18 1HH2 ARG 18 -0.374 13.363 0.691
128 HH22 ARG 18 2HH2 ARG 18 -1.709 13.135 1.770
129 H VAL 19 HN VAL 19 -1.484 8.373 -4.800
130 HA VAL 19 HA VAL 19 -3.679 9.715 -3.800
131 HB VAL 19 HB VAL 19 -4.731 9.306 -6.067
132 HG11 VAL 19 1HG1 VAL 19 -2.847 10.539 -7.277
133 HG12 VAL 19 2HG1 VAL 19 -3.516 11.294 -5.828
134 HG13 VAL 19 3HG1 VAL 19 -1.971 10.444 -5.749
135 HG21 VAL 19 1HG2 VAL 19 -3.664 7.100 -6.436
136 HG22 VAL 19 2HG2 VAL 19 -3.416 8.223 -7.773
137 HG23 VAL 19 3HG2 VAL 19 -2.113 7.917 -6.625
138 H CYS 20 HN CYS 20 -3.190 6.317 -4.142
139 HA CYS 20 HA CYS 20 -6.029 5.726 -3.809
140 HB2 CYS 20 2HB CYS 20 -3.627 3.946 -4.252
141 HB3 CYS 20 3HB CYS 20 -5.262 3.339 -4.006
142 H THR 21 HN THR 21 -6.098 3.510 -2.309
143 HA THR 21 HA THR 21 -5.064 4.402 0.303
144 HB THR 21 HB THR 21 -6.989 3.142 1.296
145 HG1 THR 21 1HG THR 21 -8.339 2.109 0.022
146 HG21 THR 21 1HG2 THR 21 -7.665 5.394 -0.600
147 HG22 THR 21 2HG2 THR 21 -7.111 5.555 1.066
148 HG23 THR 21 3HG2 THR 21 -8.688 4.845 0.726
149 H ARG 22 HN ARG 22 -4.960 2.525 1.921
150 HA ARG 22 HA ARG 22 -3.935 0.604 2.581
151 HB2 ARG 22 2HB ARG 22 -4.710 -0.616 -0.058
152 HB3 ARG 22 3HB ARG 22 -4.539 -1.404 1.504
153 HG2 ARG 22 2HG ARG 22 -6.527 0.612 1.738
154 HG3 ARG 22 3HG ARG 22 -6.873 -0.357 0.304
155 HD2 ARG 22 2HD ARG 22 -7.967 -1.525 1.978
156 HD3 ARG 22 3HD ARG 22 -6.427 -2.376 1.861
157 HE ARG 22 HE ARG 22 -6.029 -1.783 4.020
158 HH11 ARG 22 1HH1 ARG 22 -8.283 0.495 2.659
159 HH12 ARG 22 2HH1 ARG 22 -8.501 1.364 4.141
160 HH21 ARG 22 1HH2 ARG 22 -6.308 -0.646 5.977
161 HH22 ARG 22 2HH2 ARG 22 -7.375 0.715 6.028
162 H VAL 23 HN VAL 23 -2.444 -1.307 1.422
163 HA VAL 23 HA VAL 23 -0.598 -0.189 -0.495
164 HB VAL 23 HB VAL 23 0.380 0.873 1.374
165 HG11 VAL 23 1HG1 VAL 23 -0.778 -0.247 3.161
166 HG12 VAL 23 2HG1 VAL 23 0.084 -1.751 2.829
167 HG13 VAL 23 3HG1 VAL 23 0.957 -0.352 3.453
168 HG21 VAL 23 1HG2 VAL 23 1.718 -1.178 -0.004
169 HG22 VAL 23 2HG2 VAL 23 2.425 0.231 0.785
170 HG23 VAL 23 3HG2 VAL 23 2.247 -1.281 1.675
171 H PHE 24 HN PHE 24 0.090 -1.788 -1.750
172 HA PHE 24 HA PHE 24 0.640 -4.414 -0.623
173 HB2 PHE 24 2HB PHE 24 -0.790 -4.897 -3.037
174 HB3 PHE 24 3HB PHE 24 -1.201 -5.411 -1.403
175 HD1 PHE 24 1HD PHE 24 -2.756 -4.115 -0.047
176 HD2 PHE 24 2HD PHE 24 -1.851 -3.005 -4.055
177 HE1 PHE 24 1HE PHE 24 -4.726 -2.641 -0.079
178 HE2 PHE 24 2HE PHE 24 -3.819 -1.528 -4.093
179 HZ PHE 24 HZ PHE 24 -5.259 -1.343 -2.104
180 H HIS 25 HN HIS 25 2.654 -4.772 -1.270
181 HA HIS 25 HA HIS 25 4.056 -3.529 -3.266
182 HB2 HIS 25 2HB HIS 25 4.362 -6.309 -2.135
183 HB3 HIS 25 3HB HIS 25 5.516 -5.616 -3.270
184 HD2 HIS 25 2HD HIS 25 5.055 -2.602 -1.460
185 HE1 HIS 25 1HE HIS 25 7.448 -4.839 1.235
186 HE2 HIS 25 2HE HIS 25 6.515 -2.568 0.675
187 H ASP 26 HN ASP 26 5.003 -4.636 -5.262
188 HA ASP 26 HA ASP 26 2.785 -5.392 -6.960
189 HB2 ASP 26 2HB ASP 26 4.004 -4.456 -8.590
190 HB3 ASP 26 3HB ASP 26 5.166 -3.991 -7.351
191 H GLY 27 HN GLY 27 5.514 -6.902 -5.418
192 HA2 GLY 27 1HA GLY 27 5.264 -9.332 -7.000
193 HA3 GLY 27 2HA GLY 27 6.431 -9.036 -5.721
194 H CYS 28 HN CYS 28 4.132 -8.081 -3.984
195 HA CYS 28 HA CYS 28 3.660 -10.571 -2.694
196 HB2 CYS 28 2HB CYS 28 2.814 -7.742 -2.247
197 HB3 CYS 28 3HB CYS 28 1.935 -9.020 -1.415
198 H LEU 29 HN LEU 29 1.348 -8.249 -4.112
199 HA LEU 29 HA LEU 29 -0.940 -9.730 -3.990
200 HB2 LEU 29 2HB LEU 29 -0.102 -8.022 -6.328
201 HB3 LEU 29 3HB LEU 29 -1.753 -8.474 -5.904
202 HG LEU 29 HG LEU 29 -0.022 -6.844 -4.063
203 HD11 LEU 29 1HD1 LEU 29 -0.039 -5.309 -5.719
204 HD12 LEU 29 2HD1 LEU 29 -1.666 -5.009 -5.110
205 HD13 LEU 29 3HD1 LEU 29 -1.430 -6.030 -6.527
206 HD21 LEU 29 1HD2 LEU 29 -2.695 -6.149 -3.823
207 HD22 LEU 29 2HD2 LEU 29 -1.772 -7.177 -2.728
208 HD23 LEU 29 3HD2 LEU 29 -2.718 -7.900 -4.030
209 H ARG 30 HN ARG 30 1.772 -10.191 -6.121
210 HA ARG 30 HA ARG 30 0.388 -12.009 -7.878
211 HB2 ARG 30 2HB ARG 30 2.119 -11.576 -9.216
212 HB3 ARG 30 3HB ARG 30 2.805 -10.562 -7.953
213 HG2 ARG 30 2HG ARG 30 4.009 -12.463 -7.046
214 HG3 ARG 30 3HG ARG 30 3.283 -13.519 -8.259
215 HD2 ARG 30 2HD ARG 30 5.199 -13.084 -9.373
216 HD3 ARG 30 3HD ARG 30 4.328 -11.631 -9.860
217 HE ARG 30 HE ARG 30 5.759 -11.259 -7.421
218 HH11 ARG 30 1HH1 ARG 30 6.090 -11.348 -10.885
219 HH12 ARG 30 2HH1 ARG 30 7.482 -10.315 -10.908
220 HH21 ARG 30 1HH2 ARG 30 7.590 -9.898 -7.439
221 HH22 ARG 30 2HH2 ARG 30 8.334 -9.492 -8.948
222 H ARG 31 HN ARG 31 2.795 -12.279 -5.284
223 HA ARG 31 HA ARG 31 3.192 -15.040 -5.404
224 HB2 ARG 31 2HB ARG 31 3.627 -12.912 -3.400
225 HB3 ARG 31 3HB ARG 31 3.512 -14.546 -2.758
226 HG2 ARG 31 2HG ARG 31 5.274 -14.172 -5.098
227 HG3 ARG 31 3HG ARG 31 5.803 -13.449 -3.578
228 HD2 ARG 31 2HD ARG 31 6.685 -15.492 -3.218
229 HD3 ARG 31 3HD ARG 31 5.043 -15.884 -2.711
230 HE ARG 31 HE ARG 31 4.782 -17.159 -4.612
231 HH11 ARG 31 1HH1 ARG 31 7.714 -15.295 -4.823
232 HH12 ARG 31 2HH1 ARG 31 8.306 -16.139 -6.215
233 HH21 ARG 31 1HH2 ARG 31 5.550 -18.279 -6.445
234 HH22 ARG 31 2HH2 ARG 31 7.073 -17.836 -7.137
235 H MET 32 HN MET 32 1.224 -13.347 -2.956
236 HA MET 32 HA MET 32 -0.071 -15.595 -1.969
237 HB2 MET 32 2HB MET 32 -1.214 -12.801 -2.138
238 HB3 MET 32 3HB MET 32 -1.710 -14.067 -1.023
239 HG2 MET 32 2HG MET 32 1.136 -13.233 -1.007
240 HG3 MET 32 3HG MET 32 -0.058 -12.140 -0.310
241 HE1 MET 32 1HE MET 32 -1.936 -13.001 0.986
242 HE2 MET 32 2HE MET 32 -2.013 -14.523 1.872
243 HE3 MET 32 3HE MET 32 -1.234 -13.117 2.601
244 H GLY 33 HN GLY 33 -0.657 -13.775 -4.866
245 HA2 GLY 33 1HA GLY 33 -1.854 -14.619 -6.715
246 HA3 GLY 33 2HA GLY 33 -2.692 -15.727 -5.638
247 H TYR 34 HN TYR 34 -2.471 -12.455 -4.620
248 HA TYR 34 HA TYR 34 -5.265 -12.135 -4.481
249 HB2 TYR 34 2HB TYR 34 -2.907 -10.343 -4.104
250 HB3 TYR 34 3HB TYR 34 -4.498 -9.607 -4.256
251 HD1 TYR 34 1HD TYR 34 -6.276 -11.327 -2.817
252 HD2 TYR 34 2HD TYR 34 -2.252 -10.301 -1.892
253 HE1 TYR 34 1HE TYR 34 -6.714 -11.776 -0.438
254 HE2 TYR 34 2HE TYR 34 -2.679 -10.749 0.489
255 HH TYR 34 HH TYR 34 -4.428 -12.281 1.790
256 H ILE 35 HN ILE 35 -2.935 -11.385 -6.957
257 HA ILE 35 HA ILE 35 -5.086 -10.196 -8.584
258 HB ILE 35 HB ILE 35 -3.247 -9.119 -9.907
259 HG12 ILE 35 2HG1 ILE 35 -1.294 -9.118 -7.792
260 HG13 ILE 35 3HG1 ILE 35 -1.632 -10.773 -8.284
261 HG21 ILE 35 1HG2 ILE 35 -2.869 -7.315 -8.286
262 HG22 ILE 35 2HG2 ILE 35 -4.547 -7.859 -8.288
263 HG23 ILE 35 3HG2 ILE 35 -3.459 -8.363 -6.996
264 HD11 ILE 35 1HD1 ILE 35 -1.361 -9.267 -10.643
265 HD12 ILE 35 2HD1 ILE 35 -0.034 -8.805 -9.576
266 HD13 ILE 35 3HD1 ILE 35 -0.276 -10.499 -10.001
267 H GLN 36 HN GLN 36 -5.792 -11.534 -10.099
268 HA GLN 36 HA GLN 36 -4.234 -13.798 -10.957
269 HB2 GLN 36 2HB GLN 36 -6.190 -14.410 -12.261
270 HB3 GLN 36 3HB GLN 36 -6.671 -13.960 -10.630
271 HG2 GLN 36 2HG GLN 36 -6.740 -11.947 -12.836
272 HG3 GLN 36 3HG GLN 36 -8.047 -13.113 -12.643
273 HE21 GLN 36 1HE2 GLN 36 -9.236 -13.104 -10.669
274 HE22 GLN 36 2HE2 GLN 36 -9.348 -11.663 -9.722
275 H GLY 37 HN GLY 37 -4.036 -10.660 -11.754
276 HA2 GLY 37 1HA GLY 37 -3.883 -10.921 -14.636
277 HA3 GLY 37 2HA GLY 37 -3.542 -9.475 -13.698
278 H ASP 38 HN ASP 38 -2.018 -10.622 -15.897
279 HA ASP 38 HA ASP 38 0.515 -11.113 -14.475
280 HB2 ASP 38 2HB ASP 38 0.779 -12.116 -17.092
281 HB3 ASP 38 3HB ASP 38 0.702 -13.040 -15.594
282 H SER 39 HN SER 39 0.723 -8.767 -14.519
283 HA SER 39 HA SER 39 1.455 -7.721 -17.172
284 HB2 SER 39 2HB SER 39 0.435 -5.788 -16.641
285 HB3 SER 39 3HB SER 39 -0.266 -6.650 -15.272
286 HG SER 39 HG SER 39 1.912 -4.891 -15.351
287 H ALA 40 HN ALA 40 3.070 -5.725 -16.762
288 HA ALA 40 HA ALA 40 5.157 -6.500 -14.867
289 HB1 ALA 40 1HB ALA 40 6.780 -6.010 -16.898
290 HB2 ALA 40 2HB ALA 40 6.122 -7.621 -16.603
291 HB3 ALA 40 3HB ALA 40 5.393 -6.582 -17.827
292 H ALA 41 HN ALA 41 6.354 -4.811 -14.099
293 HA ALA 41 HA ALA 41 6.360 -2.243 -15.401
294 HB1 ALA 41 1HB ALA 41 4.570 -1.394 -14.396
295 HB2 ALA 41 2HB ALA 41 4.392 -2.821 -13.371
296 HB3 ALA 41 3HB ALA 41 5.455 -1.504 -12.874
297 H GLU 42 HN GLU 42 8.592 -2.398 -15.330
298 HA GLU 42 HA GLU 42 9.769 -1.876 -12.702
299 HB2 GLU 42 2HB GLU 42 11.114 -3.781 -14.602
300 HB3 GLU 42 3HB GLU 42 11.467 -3.498 -12.903
301 HG2 GLU 42 2HG GLU 42 9.159 -4.444 -12.424
302 HG3 GLU 42 3HG GLU 42 9.159 -4.992 -14.100
303 H VAL 43 HN VAL 43 9.151 -0.237 -15.049
304 HA VAL 43 HA VAL 43 11.612 0.319 -16.409
305 HB VAL 43 HB VAL 43 9.604 0.804 -17.596
306 HG11 VAL 43 1HG1 VAL 43 7.904 1.121 -16.083
307 HG12 VAL 43 2HG1 VAL 43 8.843 2.247 -15.101
308 HG13 VAL 43 3HG1 VAL 43 8.164 2.773 -16.642
309 HG21 VAL 43 1HG2 VAL 43 10.095 2.917 -18.408
310 HG22 VAL 43 2HG2 VAL 43 10.507 3.547 -16.814
311 HG23 VAL 43 3HG2 VAL 43 11.611 2.447 -17.641
312 H THR 44 HN THR 44 9.980 1.533 -13.571
313 HA THR 44 HA THR 44 12.324 2.784 -12.583
314 HB THR 44 HB THR 44 11.786 4.526 -14.200
315 HG1 THR 44 1HG THR 44 11.922 6.183 -12.753
316 HG21 THR 44 1HG2 THR 44 9.675 5.008 -14.720
317 HG22 THR 44 2HG2 THR 44 9.427 5.647 -13.095
318 HG23 THR 44 3HG2 THR 44 9.104 3.947 -13.433
319 H GLU 45 HN GLU 45 11.443 4.503 -10.745
320 HA GLU 45 HA GLU 45 9.756 2.819 -9.057
321 HB2 GLU 45 2HB GLU 45 10.515 4.816 -7.413
322 HB3 GLU 45 3HB GLU 45 11.476 3.370 -7.691
323 HG2 GLU 45 2HG GLU 45 12.906 4.487 -9.195
324 HG3 GLU 45 3HG GLU 45 11.819 5.869 -9.317
325 H MET 46 HN MET 46 9.988 6.251 -8.542
326 HA MET 46 HA MET 46 8.393 7.858 -8.313
327 HB2 MET 46 2HB MET 46 7.199 6.509 -10.741
328 HB3 MET 46 3HB MET 46 6.878 8.152 -10.202
329 HG2 MET 46 2HG MET 46 9.388 8.539 -10.488
330 HG3 MET 46 3HG MET 46 9.383 7.030 -11.397
331 HE1 MET 46 1HE MET 46 9.554 10.676 -12.021
332 HE2 MET 46 2HE MET 46 10.538 9.382 -12.705
333 HE3 MET 46 3HE MET 46 9.528 10.372 -13.758
334 H ALA 47 HN ALA 47 7.240 7.601 -6.496
335 HA ALA 47 HA ALA 47 5.233 5.498 -6.313
336 HB1 ALA 47 1HB ALA 47 5.486 5.615 -4.087
337 HB2 ALA 47 2HB ALA 47 6.958 6.504 -4.475
338 HB3 ALA 47 3HB ALA 47 5.480 7.378 -4.075
339 H HIS 48 HN HIS 48 5.460 8.942 -6.734
340 HA HIS 48 HA HIS 48 2.746 9.156 -7.532
341 HB2 HIS 48 2HB HIS 48 2.169 10.864 -5.694
342 HB3 HIS 48 3HB HIS 48 2.093 9.154 -5.277
343 HD1 HIS 48 1HD HIS 48 5.063 11.536 -5.295
344 HD2 HIS 48 2HD HIS 48 2.970 9.032 -2.723
345 HE1 HIS 48 1HE HIS 48 6.322 11.603 -3.118
346 H THR 49 HN THR 49 5.543 9.867 -8.278
347 HA THR 49 HA THR 49 5.679 12.738 -8.228
348 HB THR 49 HB THR 49 7.561 12.302 -9.947
349 HG1 THR 49 1HG THR 49 8.339 10.087 -9.758
350 HG21 THR 49 1HG2 THR 49 7.491 11.609 -7.058
351 HG22 THR 49 2HG2 THR 49 8.411 12.856 -7.900
352 HG23 THR 49 3HG2 THR 49 8.937 11.174 -7.968
353 H GLU 50 HN GLU 50 6.015 10.744 -11.133
354 HA GLU 50 HA GLU 50 4.345 12.671 -12.572
355 HB2 GLU 50 2HB GLU 50 6.294 10.571 -13.522
356 HB3 GLU 50 3HB GLU 50 5.274 11.502 -14.610
357 HG2 GLU 50 2HG GLU 50 6.305 13.574 -13.619
358 HG3 GLU 50 3HG GLU 50 7.463 12.512 -12.819
359 H THR 51 HN THR 51 2.284 12.195 -12.885
360 HA THR 51 HA THR 51 0.865 10.030 -12.185
361 HB THR 51 HB THR 51 0.279 12.260 -13.670
362 HG1 THR 51 1HG THR 51 -1.901 11.332 -13.591
363 HG21 THR 51 1HG2 THR 51 0.891 11.003 -15.740
364 HG22 THR 51 2HG2 THR 51 -0.778 11.571 -15.715
365 HG23 THR 51 3HG2 THR 51 -0.418 9.877 -15.385
366 H GLY 52 HN GLY 52 0.291 8.032 -12.984
367 HA2 GLY 52 1HA GLY 52 0.403 6.819 -15.320
368 HA3 GLY 52 2HA GLY 52 2.124 6.933 -14.982
369 H TRP 53 HN TRP 53 1.035 6.667 -12.015
370 HA TRP 53 HA TRP 53 1.642 3.873 -11.834
371 HB2 TRP 53 2HB TRP 53 1.026 4.274 -9.371
372 HB3 TRP 53 3HB TRP 53 2.409 5.153 -10.016
373 HD1 TRP 53 1HD TRP 53 -1.233 5.707 -8.923
374 HE1 TRP 53 1HE TRP 53 -1.566 8.215 -8.451
375 HE3 TRP 53 3HE TRP 53 3.292 7.448 -10.547
376 HZ2 TRP 53 2HZ TRP 53 -0.105 10.615 -8.730
377 HZ3 TRP 53 3HZ TRP 53 3.744 9.863 -10.411
378 HH2 TRP 53 2HH TRP 53 2.080 11.411 -9.521
379 H SER 54 HN SER 54 0.078 2.684 -12.869
380 HA SER 54 HA SER 54 -2.721 3.100 -12.364
381 HB2 SER 54 2HB SER 54 -2.300 0.543 -13.523
382 HB3 SER 54 3HB SER 54 -2.865 2.013 -14.317
383 HG SER 54 HG SER 54 -1.056 1.620 -15.398
384 H CYS 55 HN CYS 55 -4.142 1.661 -11.313
385 HA CYS 55 HA CYS 55 -3.093 -0.552 -9.787
386 HB2 CYS 55 2HB CYS 55 -4.503 1.419 -8.076
387 HB3 CYS 55 3HB CYS 55 -3.204 0.300 -7.672
388 H HIS 56 HN HIS 56 -4.792 -1.746 -8.662
389 HA HIS 56 HA HIS 56 -6.917 -2.479 -10.107
390 HB2 HIS 56 2HB HIS 56 -6.419 -3.642 -8.071
391 HB3 HIS 56 3HB HIS 56 -6.789 -2.220 -7.100
392 HD1 HIS 56 1HD HIS 56 -8.413 -4.044 -5.894
393 HD2 HIS 56 2HD HIS 56 -9.506 -2.767 -9.693
394 HE1 HIS 56 1HE HIS 56 -10.843 -4.648 -6.132
395 H TYR 57 HN TYR 57 -7.437 -0.227 -7.391
396 HA TYR 57 HA TYR 57 -9.680 0.929 -8.899
397 HB2 TYR 57 2HB TYR 57 -10.401 1.806 -6.652
398 HB3 TYR 57 3HB TYR 57 -10.409 0.052 -6.796
399 HD1 TYR 57 1HD TYR 57 -9.349 2.793 -4.835
400 HD2 TYR 57 2HD TYR 57 -8.254 -1.163 -5.955
401 HE1 TYR 57 1HE TYR 57 -7.924 2.628 -2.838
402 HE2 TYR 57 2HE TYR 57 -6.826 -1.339 -3.959
403 HH TYR 57 HH TYR 57 -6.778 1.179 -1.506
404 H CYS 58 HN CYS 58 -7.391 1.852 -9.850
405 HA CYS 58 HA CYS 58 -6.675 4.309 -8.446
406 HB2 CYS 58 2HB CYS 58 -5.071 2.603 -9.689
407 HB3 CYS 58 3HB CYS 58 -5.502 3.577 -11.092
408 H ASP 59 HN ASP 59 -8.921 3.321 -10.690
409 HA ASP 59 HA ASP 59 -10.491 4.548 -11.828
410 HB2 ASP 59 2HB ASP 59 -8.929 7.084 -11.535
411 HB3 ASP 59 3HB ASP 59 -10.674 6.841 -11.553
412 H ASN 60 HN ASN 60 -10.270 3.813 -13.854
413 HA ASN 60 HA ASN 60 -8.210 5.072 -15.544
414 HB2 ASN 60 2HB ASN 60 -8.416 2.896 -16.913
415 HB3 ASN 60 3HB ASN 60 -7.520 2.832 -15.398
416 HD21 ASN 60 1HD2 ASN 60 -8.974 0.765 -16.948
417 HD22 ASN 60 2HD2 ASN 60 -10.077 0.053 -15.825
Start of MODEL 16
1 H1 GLU 1 HN GLU 1 3.136 5.042 6.105
2 HA GLU 1 HA GLU 1 1.854 3.209 5.688
3 HB2 GLU 1 2HB GLU 1 1.907 4.723 3.197
4 HB3 GLU 1 3HB GLU 1 1.637 3.006 2.931
5 HG2 GLU 1 2HG GLU 1 -0.391 4.551 3.259
6 HG3 GLU 1 3HG GLU 1 -0.355 3.001 4.099
7 H MET 2 HN MET 2 2.622 1.239 6.018
8 HA MET 2 HA MET 2 4.797 0.264 4.289
9 HB2 MET 2 2HB MET 2 4.324 -1.231 6.758
10 HB3 MET 2 3HB MET 2 5.826 -0.604 6.093
11 HG2 MET 2 2HG MET 2 4.886 1.693 6.895
12 HG3 MET 2 3HG MET 2 3.888 0.689 7.947
13 HE1 MET 2 1HE MET 2 7.916 1.916 7.597
14 HE2 MET 2 2HE MET 2 8.384 0.218 7.694
15 HE3 MET 2 3HE MET 2 7.274 0.756 6.432
16 H CYS 3 HN CYS 3 4.393 -1.399 2.988
17 HA CYS 3 HA CYS 3 2.044 -2.439 2.285
18 HB2 CYS 3 2HB CYS 3 4.211 -3.047 1.244
19 HB3 CYS 3 3HB CYS 3 4.536 -4.126 2.597
20 H ASP 4 HN ASP 4 0.489 -3.751 3.040
21 HA ASP 4 HA ASP 4 0.566 -4.541 5.797
22 HB2 ASP 4 2HB ASP 4 -1.449 -3.834 4.138
23 HB3 ASP 4 3HB ASP 4 -1.592 -5.588 4.063
24 H VAL 5 HN VAL 5 2.102 -5.859 3.334
25 HA VAL 5 HA VAL 5 1.692 -8.611 4.307
26 HB VAL 5 HB VAL 5 2.257 -7.739 1.471
27 HG11 VAL 5 1HG1 VAL 5 3.537 -9.669 1.692
28 HG12 VAL 5 2HG1 VAL 5 2.384 -10.425 2.792
29 HG13 VAL 5 3HG1 VAL 5 2.000 -10.275 1.078
30 HG21 VAL 5 1HG2 VAL 5 -0.119 -8.932 2.855
31 HG22 VAL 5 2HG2 VAL 5 -0.040 -7.514 1.809
32 HG23 VAL 5 3HG2 VAL 5 0.121 -9.128 1.119
33 H CYS 6 HN CYS 6 3.763 -6.085 4.239
34 HA CYS 6 HA CYS 6 6.079 -7.848 4.577
35 HB2 CYS 6 2HB CYS 6 6.109 -5.300 2.947
36 HB3 CYS 6 3HB CYS 6 7.515 -6.288 3.329
37 H GLU 7 HN GLU 7 4.657 -4.647 5.037
38 HA GLU 7 HA GLU 7 4.649 -3.343 6.934
39 HB2 GLU 7 2HB GLU 7 6.854 -4.957 8.164
40 HB3 GLU 7 3HB GLU 7 5.556 -4.070 8.952
41 HG2 GLU 7 2HG GLU 7 4.347 -6.064 7.369
42 HG3 GLU 7 3HG GLU 7 5.678 -6.824 8.241
43 H VAL 8 HN VAL 8 6.979 -3.819 4.732
44 HA VAL 8 HA VAL 8 8.628 -1.598 5.752
45 HB VAL 8 HB VAL 8 9.986 -3.074 3.696
46 HG11 VAL 8 1HG1 VAL 8 11.024 -1.563 5.325
47 HG12 VAL 8 2HG1 VAL 8 10.612 -2.688 6.622
48 HG13 VAL 8 3HG1 VAL 8 11.753 -3.168 5.365
49 HG21 VAL 8 1HG2 VAL 8 10.381 -5.118 5.205
50 HG22 VAL 8 2HG2 VAL 8 8.857 -4.670 5.971
51 HG23 VAL 8 3HG2 VAL 8 8.898 -5.063 4.252
52 H TRP 9 HN TRP 9 8.112 0.195 4.689
53 HA TRP 9 HA TRP 9 7.030 0.102 2.012
54 HB2 TRP 9 2HB TRP 9 6.500 2.371 2.289
55 HB3 TRP 9 3HB TRP 9 6.329 1.700 3.909
56 HD1 TRP 9 1HD TRP 9 8.551 2.133 5.570
57 HE1 TRP 9 1HE TRP 9 10.023 4.238 5.737
58 HE3 TRP 9 3HE TRP 9 7.406 4.283 1.075
59 HZ2 TRP 9 2HZ TRP 9 10.619 6.510 4.172
60 HZ3 TRP 9 3HZ TRP 9 8.470 6.422 0.486
61 HH2 TRP 9 2HH TRP 9 10.042 7.512 2.004
62 H THR 10 HN THR 10 9.911 -0.606 2.688
63 HA THR 10 HA THR 10 12.060 -0.074 2.003
64 HB THR 10 HB THR 10 11.914 0.222 -0.657
65 HG1 THR 10 1HG THR 10 9.849 -1.291 -0.932
66 HG21 THR 10 1HG2 THR 10 11.756 -2.282 -0.789
67 HG22 THR 10 2HG2 THR 10 11.394 -2.285 0.937
68 HG23 THR 10 3HG2 THR 10 12.946 -1.677 0.362
69 H ALA 11 HN ALA 11 10.705 1.786 -0.619
70 HA ALA 11 HA ALA 11 10.616 4.342 0.240
71 HB1 ALA 11 1HB ALA 11 13.438 3.408 0.111
72 HB2 ALA 11 2HB ALA 11 13.068 5.061 -0.381
73 HB3 ALA 11 3HB ALA 11 12.664 4.513 1.246
74 H GLU 12 HN GLU 12 12.469 2.502 -2.181
75 HA GLU 12 HA GLU 12 12.588 4.107 -4.310
76 HB2 GLU 12 2HB GLU 12 11.945 1.212 -4.068
77 HB3 GLU 12 3HB GLU 12 11.743 1.959 -5.647
78 HG2 GLU 12 2HG GLU 12 14.244 1.665 -4.026
79 HG3 GLU 12 3HG GLU 12 13.907 1.076 -5.652
80 H SER 13 HN SER 13 9.927 1.875 -4.697
81 HA SER 13 HA SER 13 8.013 4.076 -4.906
82 HB2 SER 13 2HB SER 13 9.136 3.443 -7.179
83 HB3 SER 13 3HB SER 13 8.090 2.025 -7.100
84 HG SER 13 HG SER 13 6.467 3.905 -6.572
85 H LEU 14 HN LEU 14 6.393 3.533 -3.616
86 HA LEU 14 HA LEU 14 5.821 0.746 -3.047
87 HB2 LEU 14 2HB LEU 14 5.390 3.291 -1.755
88 HB3 LEU 14 3HB LEU 14 3.905 2.344 -1.794
89 HG LEU 14 HG LEU 14 6.522 1.638 -0.488
90 HD11 LEU 14 1HD1 LEU 14 5.186 2.988 0.913
91 HD12 LEU 14 2HD1 LEU 14 4.954 1.330 1.467
92 HD13 LEU 14 3HD1 LEU 14 3.717 2.112 0.483
93 HD21 LEU 14 1HD2 LEU 14 5.944 -0.411 -1.420
94 HD22 LEU 14 2HD2 LEU 14 4.215 -0.112 -1.253
95 HD23 LEU 14 3HD2 LEU 14 5.189 -0.470 0.172
96 H PHE 15 HN PHE 15 3.537 -0.003 -3.030
97 HA PHE 15 HA PHE 15 1.829 1.276 -5.026
98 HB2 PHE 15 2HB PHE 15 2.139 -1.681 -5.239
99 HB3 PHE 15 3HB PHE 15 1.724 -0.504 -6.480
100 HD1 PHE 15 1HD PHE 15 3.618 1.117 -7.194
101 HD2 PHE 15 2HD PHE 15 4.266 -2.570 -5.168
102 HE1 PHE 15 1HE PHE 15 5.943 1.086 -8.001
103 HE2 PHE 15 2HE PHE 15 6.592 -2.607 -5.971
104 HZ PHE 15 HZ PHE 15 7.433 -0.777 -7.389
105 HA PRO 16 HA PRO 16 -0.109 1.100 -5.883
106 HB2 PRO 16 2HB PRO 16 -2.214 2.653 -5.158
107 HB3 PRO 16 3HB PRO 16 -2.394 0.976 -5.686
108 HG2 PRO 16 2HG PRO 16 -2.348 2.093 -2.910
109 HG3 PRO 16 3HG PRO 16 -3.414 0.857 -3.600
110 HD2 PRO 16 2HD PRO 16 -1.280 0.240 -2.051
111 HD3 PRO 16 3HD PRO 16 -1.840 -0.811 -3.368
112 H CYS 17 HN CYS 17 -0.850 3.706 -6.013
113 HA CYS 17 HA CYS 17 1.299 5.232 -5.741
114 HB2 CYS 17 2HB CYS 17 -1.333 6.350 -4.792
115 HB3 CYS 17 3HB CYS 17 -0.059 7.169 -5.690
116 H ARG 18 HN ARG 18 -1.123 5.447 -3.135
117 HA ARG 18 HA ARG 18 0.911 5.127 -1.106
118 HB2 ARG 18 2HB ARG 18 1.048 7.256 -0.321
119 HB3 ARG 18 3HB ARG 18 0.673 7.645 -1.995
120 HG2 ARG 18 2HG ARG 18 -1.388 7.412 0.186
121 HG3 ARG 18 3HG ARG 18 -0.641 8.927 -0.324
122 HD2 ARG 18 2HD ARG 18 -1.645 7.437 -2.586
123 HD3 ARG 18 3HD ARG 18 -2.915 7.722 -1.396
124 HE ARG 18 HE ARG 18 -1.375 10.067 -2.003
125 HH11 ARG 18 1HH1 ARG 18 -4.066 8.088 -2.986
126 HH12 ARG 18 2HH1 ARG 18 -4.874 9.373 -3.821
127 HH21 ARG 18 1HH2 ARG 18 -2.430 11.766 -3.099
128 HH22 ARG 18 2HH2 ARG 18 -3.942 11.464 -3.885
129 H VAL 19 HN VAL 19 -2.423 5.825 -1.971
130 HA VAL 19 HA VAL 19 -3.283 4.539 0.540
131 HB VAL 19 HB VAL 19 -4.615 6.732 -1.044
132 HG11 VAL 19 1HG1 VAL 19 -6.536 5.673 -0.535
133 HG12 VAL 19 2HG1 VAL 19 -5.787 4.697 0.729
134 HG13 VAL 19 3HG1 VAL 19 -6.262 6.362 1.065
135 HG21 VAL 19 1HG2 VAL 19 -2.955 6.665 1.270
136 HG22 VAL 19 2HG2 VAL 19 -3.689 8.059 0.477
137 HG23 VAL 19 3HG2 VAL 19 -4.566 7.203 1.745
138 H CYS 20 HN CYS 20 -5.387 5.374 -2.122
139 HA CYS 20 HA CYS 20 -6.974 4.011 -3.115
140 HB2 CYS 20 2HB CYS 20 -4.849 2.261 -4.164
141 HB3 CYS 20 3HB CYS 20 -6.030 3.244 -5.025
142 H THR 21 HN THR 21 -6.936 3.200 -0.555
143 HA THR 21 HA THR 21 -7.723 1.451 0.696
144 HB THR 21 HB THR 21 -7.263 -0.694 -1.257
145 HG1 THR 21 1HG THR 21 -9.310 0.306 -2.346
146 HG21 THR 21 1HG2 THR 21 -8.676 -1.338 0.436
147 HG22 THR 21 2HG2 THR 21 -9.854 -0.806 -0.764
148 HG23 THR 21 3HG2 THR 21 -9.414 0.257 0.573
149 H ARG 22 HN ARG 22 -6.234 1.135 2.232
150 HA ARG 22 HA ARG 22 -4.214 0.596 3.204
151 HB2 ARG 22 2HB ARG 22 -5.761 -1.622 2.591
152 HB3 ARG 22 3HB ARG 22 -4.156 -2.071 2.031
153 HG2 ARG 22 2HG ARG 22 -3.316 -2.203 4.117
154 HG3 ARG 22 3HG ARG 22 -4.285 -0.852 4.708
155 HD2 ARG 22 2HD ARG 22 -6.276 -2.351 4.661
156 HD3 ARG 22 3HD ARG 22 -5.201 -3.686 4.246
157 HE ARG 22 HE ARG 22 -4.268 -2.423 6.581
158 HH11 ARG 22 1HH1 ARG 22 -6.873 -4.443 5.461
159 HH12 ARG 22 2HH1 ARG 22 -7.129 -5.191 7.002
160 HH21 ARG 22 1HH2 ARG 22 -4.595 -3.403 8.615
161 HH22 ARG 22 2HH2 ARG 22 -5.833 -4.599 8.796
162 H VAL 23 HN VAL 23 -2.365 -1.436 2.324
163 HA VAL 23 HA VAL 23 -1.252 -0.268 -0.129
164 HB VAL 23 HB VAL 23 1.022 -0.338 0.901
165 HG11 VAL 23 1HG1 VAL 23 -0.845 1.641 0.959
166 HG12 VAL 23 2HG1 VAL 23 -0.384 1.539 2.659
167 HG13 VAL 23 3HG1 VAL 23 0.844 1.837 1.428
168 HG21 VAL 23 1HG2 VAL 23 0.183 -1.897 2.773
169 HG22 VAL 23 2HG2 VAL 23 1.369 -0.657 3.182
170 HG23 VAL 23 3HG2 VAL 23 -0.334 -0.412 3.573
171 H PHE 24 HN PHE 24 -0.318 -1.703 -1.484
172 HA PHE 24 HA PHE 24 0.478 -4.328 -0.530
173 HB2 PHE 24 2HB PHE 24 -1.017 -4.924 -2.828
174 HB3 PHE 24 3HB PHE 24 -1.400 -5.365 -1.167
175 HD1 PHE 24 1HD PHE 24 -3.079 -4.187 0.078
176 HD2 PHE 24 2HD PHE 24 -2.071 -3.002 -3.884
177 HE1 PHE 24 1HE PHE 24 -5.104 -2.791 -0.016
178 HE2 PHE 24 2HE PHE 24 -4.094 -1.604 -3.983
179 HZ PHE 24 HZ PHE 24 -5.613 -1.497 -2.048
180 H HIS 25 HN HIS 25 2.444 -4.572 -1.345
181 HA HIS 25 HA HIS 25 3.626 -3.109 -3.352
182 HB2 HIS 25 2HB HIS 25 4.201 -5.889 -2.340
183 HB3 HIS 25 3HB HIS 25 5.207 -5.116 -3.561
184 HD2 HIS 25 2HD HIS 25 4.674 -2.175 -1.611
185 HE1 HIS 25 1HE HIS 25 7.535 -4.263 0.722
186 HE2 HIS 25 2HE HIS 25 6.351 -2.071 0.355
187 H ASP 26 HN ASP 26 4.659 -4.419 -5.358
188 HA ASP 26 HA ASP 26 2.360 -5.057 -7.026
189 HB2 ASP 26 2HB ASP 26 4.256 -3.453 -7.683
190 HB3 ASP 26 3HB ASP 26 5.225 -4.902 -7.945
191 H GLY 27 HN GLY 27 5.107 -6.610 -5.562
192 HA2 GLY 27 1HA GLY 27 4.732 -9.038 -7.141
193 HA3 GLY 27 2HA GLY 27 6.006 -8.748 -5.965
194 H CYS 28 HN CYS 28 3.951 -7.775 -4.003
195 HA CYS 28 HA CYS 28 3.547 -10.231 -2.663
196 HB2 CYS 28 2HB CYS 28 2.660 -7.407 -2.208
197 HB3 CYS 28 3HB CYS 28 1.948 -8.701 -1.250
198 H LEU 29 HN LEU 29 1.058 -7.937 -3.795
199 HA LEU 29 HA LEU 29 -1.204 -9.329 -3.507
200 HB2 LEU 29 2HB LEU 29 -0.427 -7.875 -6.031
201 HB3 LEU 29 3HB LEU 29 -2.073 -8.294 -5.558
202 HG LEU 29 HG LEU 29 -0.380 -6.549 -3.805
203 HD11 LEU 29 1HD1 LEU 29 -0.675 -5.824 -6.351
204 HD12 LEU 29 2HD1 LEU 29 -0.735 -4.669 -5.020
205 HD13 LEU 29 3HD1 LEU 29 -2.232 -5.274 -5.731
206 HD21 LEU 29 1HD2 LEU 29 -2.923 -5.656 -3.662
207 HD22 LEU 29 2HD2 LEU 29 -2.255 -6.902 -2.607
208 HD23 LEU 29 3HD2 LEU 29 -3.203 -7.359 -4.024
209 H ARG 30 HN ARG 30 1.197 -9.938 -6.022
210 HA ARG 30 HA ARG 30 -0.301 -11.930 -7.382
211 HB2 ARG 30 2HB ARG 30 2.452 -10.873 -7.470
212 HB3 ARG 30 3HB ARG 30 2.274 -12.543 -7.993
213 HG2 ARG 30 2HG ARG 30 0.702 -11.910 -9.686
214 HG3 ARG 30 3HG ARG 30 0.663 -10.251 -9.089
215 HD2 ARG 30 2HD ARG 30 2.897 -9.857 -9.778
216 HD3 ARG 30 3HD ARG 30 3.177 -11.570 -10.083
217 HE ARG 30 HE ARG 30 1.936 -9.678 -11.848
218 HH11 ARG 30 1HH1 ARG 30 2.173 -13.042 -10.982
219 HH12 ARG 30 2HH1 ARG 30 1.695 -13.613 -12.546
220 HH21 ARG 30 1HH2 ARG 30 1.305 -10.418 -13.911
221 HH22 ARG 30 2HH2 ARG 30 1.201 -12.120 -14.211
222 H ARG 31 HN ARG 31 2.552 -12.228 -5.256
223 HA ARG 31 HA ARG 31 2.640 -14.970 -5.048
224 HB2 ARG 31 2HB ARG 31 3.645 -12.710 -3.509
225 HB3 ARG 31 3HB ARG 31 3.310 -14.109 -2.496
226 HG2 ARG 31 2HG ARG 31 5.202 -15.049 -3.140
227 HG3 ARG 31 3HG ARG 31 4.675 -14.997 -4.824
228 HD2 ARG 31 2HD ARG 31 6.662 -13.788 -4.846
229 HD3 ARG 31 3HD ARG 31 5.424 -12.536 -4.757
230 HE ARG 31 HE ARG 31 6.342 -13.325 -2.174
231 HH11 ARG 31 1HH1 ARG 31 7.109 -11.364 -4.947
232 HH12 ARG 31 2HH1 ARG 31 8.071 -10.238 -4.048
233 HH21 ARG 31 1HH2 ARG 31 7.608 -11.850 -0.980
234 HH22 ARG 31 2HH2 ARG 31 8.355 -10.516 -1.792
235 H MET 32 HN MET 32 1.231 -12.898 -2.508
236 HA MET 32 HA MET 32 -0.023 -14.791 -1.010
237 HB2 MET 32 2HB MET 32 -1.083 -12.048 -1.714
238 HB3 MET 32 3HB MET 32 -1.679 -13.043 -0.391
239 HG2 MET 32 2HG MET 32 1.111 -11.948 -0.665
240 HG3 MET 32 3HG MET 32 -0.149 -11.338 0.406
241 HE1 MET 32 1HE MET 32 -1.493 -13.279 1.914
242 HE2 MET 32 2HE MET 32 -0.445 -13.940 3.169
243 HE3 MET 32 3HE MET 32 -0.464 -12.203 2.860
244 H GLY 33 HN GLY 33 -1.027 -13.564 -4.127
245 HA2 GLY 33 1HA GLY 33 -2.344 -14.933 -5.591
246 HA3 GLY 33 2HA GLY 33 -3.126 -15.625 -4.178
247 H TYR 34 HN TYR 34 -2.736 -12.266 -3.970
248 HA TYR 34 HA TYR 34 -5.518 -11.787 -3.911
249 HB2 TYR 34 2HB TYR 34 -3.060 -10.127 -3.758
250 HB3 TYR 34 3HB TYR 34 -4.550 -9.300 -4.196
251 HD1 TYR 34 1HD TYR 34 -6.626 -10.062 -2.625
252 HD2 TYR 34 2HD TYR 34 -2.516 -10.121 -1.524
253 HE1 TYR 34 1HE TYR 34 -7.267 -9.953 -0.253
254 HE2 TYR 34 2HE TYR 34 -3.145 -10.013 0.852
255 HH TYR 34 HH TYR 34 -5.858 -9.017 1.991
256 H ILE 35 HN ILE 35 -3.606 -9.654 -5.896
257 HA ILE 35 HA ILE 35 -5.582 -9.571 -7.933
258 HB ILE 35 HB ILE 35 -4.160 -8.044 -9.087
259 HG12 ILE 35 2HG1 ILE 35 -1.791 -7.820 -7.674
260 HG13 ILE 35 3HG1 ILE 35 -2.048 -9.560 -7.752
261 HG21 ILE 35 1HG2 ILE 35 -3.475 -6.494 -7.204
262 HG22 ILE 35 2HG2 ILE 35 -5.160 -7.014 -7.218
263 HG23 ILE 35 3HG2 ILE 35 -4.017 -7.758 -6.100
264 HD11 ILE 35 1HD1 ILE 35 -1.570 -9.645 -9.929
265 HD12 ILE 35 2HD1 ILE 35 -2.479 -8.177 -10.288
266 HD13 ILE 35 3HD1 ILE 35 -0.832 -8.065 -9.665
267 H GLN 36 HN GLN 36 -4.480 -9.614 -10.334
268 HA GLN 36 HA GLN 36 -3.393 -12.338 -10.613
269 HB2 GLN 36 2HB GLN 36 -5.355 -10.821 -12.323
270 HB3 GLN 36 3HB GLN 36 -4.489 -12.230 -12.923
271 HG2 GLN 36 2HG GLN 36 -5.478 -13.182 -10.586
272 HG3 GLN 36 3HG GLN 36 -6.742 -12.048 -11.061
273 HE21 GLN 36 1HE2 GLN 36 -4.740 -14.660 -12.371
274 HE22 GLN 36 2HE2 GLN 36 -5.967 -15.324 -13.390
275 H GLY 37 HN GLY 37 -3.787 -9.853 -13.088
276 HA2 GLY 37 1HA GLY 37 -0.859 -9.914 -13.469
277 HA3 GLY 37 2HA GLY 37 -2.021 -9.687 -14.768
278 H ASP 38 HN ASP 38 0.041 -7.934 -14.526
279 HA ASP 38 HA ASP 38 -1.384 -5.463 -14.021
280 HB2 ASP 38 2HB ASP 38 0.570 -4.568 -12.658
281 HB3 ASP 38 3HB ASP 38 -0.487 -5.715 -11.840
282 H SER 39 HN SER 39 0.508 -3.612 -14.311
283 HA SER 39 HA SER 39 1.316 -3.967 -17.057
284 HB2 SER 39 2HB SER 39 1.898 -1.597 -15.275
285 HB3 SER 39 3HB SER 39 1.849 -1.633 -17.038
286 HG SER 39 HG SER 39 -0.383 -2.017 -16.908
287 H ALA 40 HN ALA 40 3.633 -2.294 -16.998
288 HA ALA 40 HA ALA 40 5.589 -3.803 -15.436
289 HB1 ALA 40 1HB ALA 40 5.883 -3.451 -18.414
290 HB2 ALA 40 2HB ALA 40 6.971 -4.315 -17.328
291 HB3 ALA 40 3HB ALA 40 5.352 -4.942 -17.635
292 H ALA 41 HN ALA 41 7.155 -2.539 -14.645
293 HA ALA 41 HA ALA 41 8.300 -0.334 -15.965
294 HB1 ALA 41 1HB ALA 41 7.410 1.468 -14.455
295 HB2 ALA 41 2HB ALA 41 6.262 0.840 -15.639
296 HB3 ALA 41 3HB ALA 41 6.160 0.328 -13.954
297 H GLU 42 HN GLU 42 7.542 0.171 -12.631
298 HA GLU 42 HA GLU 42 8.975 0.389 -10.848
299 HB2 GLU 42 2HB GLU 42 8.567 -2.347 -11.556
300 HB3 GLU 42 3HB GLU 42 10.205 -2.172 -10.942
301 HG2 GLU 42 2HG GLU 42 7.943 -0.955 -9.434
302 HG3 GLU 42 3HG GLU 42 8.228 -2.692 -9.327
303 H VAL 43 HN VAL 43 10.487 1.899 -11.505
304 HA VAL 43 HA VAL 43 13.093 0.779 -12.285
305 HB VAL 43 HB VAL 43 12.938 3.419 -13.305
306 HG11 VAL 43 1HG1 VAL 43 13.422 2.319 -15.426
307 HG12 VAL 43 2HG1 VAL 43 14.381 1.617 -14.121
308 HG13 VAL 43 3HG1 VAL 43 12.965 0.763 -14.733
309 HG21 VAL 43 1HG2 VAL 43 10.467 3.021 -13.242
310 HG22 VAL 43 2HG2 VAL 43 11.117 3.344 -14.849
311 HG23 VAL 43 3HG2 VAL 43 10.712 1.694 -14.377
312 H THR 44 HN THR 44 11.501 3.762 -11.151
313 HA THR 44 HA THR 44 12.994 3.922 -8.769
314 HB THR 44 HB THR 44 14.908 4.464 -10.111
315 HG1 THR 44 1HG THR 44 13.756 6.824 -8.997
316 HG21 THR 44 1HG2 THR 44 14.296 6.899 -11.354
317 HG22 THR 44 2HG2 THR 44 12.959 5.818 -11.748
318 HG23 THR 44 3HG2 THR 44 14.614 5.351 -12.137
319 H GLU 45 HN GLU 45 11.853 5.138 -7.404
320 HA GLU 45 HA GLU 45 10.590 7.587 -8.213
321 HB2 GLU 45 2HB GLU 45 9.068 5.454 -8.771
322 HB3 GLU 45 3HB GLU 45 8.630 5.662 -7.081
323 HG2 GLU 45 2HG GLU 45 8.488 8.218 -8.143
324 HG3 GLU 45 3HG GLU 45 7.823 7.178 -9.401
325 H MET 46 HN MET 46 8.600 7.387 -6.043
326 HA MET 46 HA MET 46 10.079 6.950 -3.616
327 HB2 MET 46 2HB MET 46 9.468 9.743 -4.567
328 HB3 MET 46 3HB MET 46 9.731 9.367 -2.870
329 HG2 MET 46 2HG MET 46 11.936 8.285 -3.756
330 HG3 MET 46 3HG MET 46 11.657 9.341 -5.139
331 HE1 MET 46 1HE MET 46 10.908 10.467 -1.158
332 HE2 MET 46 2HE MET 46 11.829 8.989 -1.435
333 HE3 MET 46 3HE MET 46 12.643 10.438 -0.844
334 H ALA 47 HN ALA 47 7.650 5.954 -4.717
335 HA ALA 47 HA ALA 47 5.535 5.433 -4.062
336 HB1 ALA 47 1HB ALA 47 5.000 5.521 -1.791
337 HB2 ALA 47 2HB ALA 47 6.760 5.403 -1.810
338 HB3 ALA 47 3HB ALA 47 5.984 6.960 -1.520
339 H HIS 48 HN HIS 48 4.164 6.486 -5.376
340 HA HIS 48 HA HIS 48 2.876 8.150 -6.275
341 HB2 HIS 48 2HB HIS 48 1.363 9.198 -4.699
342 HB3 HIS 48 3HB HIS 48 1.624 7.522 -4.223
343 HD1 HIS 48 1HD HIS 48 3.066 7.117 -2.075
344 HD2 HIS 48 2HD HIS 48 2.191 11.101 -2.863
345 HE1 HIS 48 1HE HIS 48 3.606 8.356 0.045
346 H THR 49 HN THR 49 5.025 9.115 -6.962
347 HA THR 49 HA THR 49 5.126 11.886 -6.003
348 HB THR 49 HB THR 49 7.765 11.011 -6.779
349 HG1 THR 49 1HG THR 49 6.592 9.673 -4.548
350 HG21 THR 49 1HG2 THR 49 8.423 12.285 -4.975
351 HG22 THR 49 2HG2 THR 49 7.018 11.836 -4.008
352 HG23 THR 49 3HG2 THR 49 6.849 12.997 -5.325
353 H GLU 50 HN GLU 50 7.128 10.079 -8.311
354 HA GLU 50 HA GLU 50 7.023 12.089 -10.278
355 HB2 GLU 50 2HB GLU 50 8.082 9.352 -10.066
356 HB3 GLU 50 3HB GLU 50 7.652 9.842 -11.699
357 HG2 GLU 50 2HG GLU 50 9.195 11.591 -11.709
358 HG3 GLU 50 3HG GLU 50 9.365 11.569 -9.954
359 H THR 51 HN THR 51 4.808 12.587 -10.548
360 HA THR 51 HA THR 51 2.921 12.572 -11.847
361 HB THR 51 HB THR 51 3.630 9.868 -12.951
362 HG1 THR 51 1HG THR 51 5.397 10.731 -13.722
363 HG21 THR 51 1HG2 THR 51 1.563 10.524 -13.776
364 HG22 THR 51 2HG2 THR 51 2.662 11.113 -15.024
365 HG23 THR 51 3HG2 THR 51 2.009 12.228 -13.825
366 H GLY 52 HN GLY 52 3.739 9.318 -10.639
367 HA2 GLY 52 1HA GLY 52 2.284 8.726 -8.633
368 HA3 GLY 52 2HA GLY 52 0.946 9.061 -9.722
369 H TRP 53 HN TRP 53 1.815 6.583 -8.290
370 HA TRP 53 HA TRP 53 2.626 4.782 -10.398
371 HB2 TRP 53 2HB TRP 53 3.428 4.375 -8.137
372 HB3 TRP 53 3HB TRP 53 1.774 4.262 -7.543
373 HD1 TRP 53 1HD TRP 53 0.721 1.911 -7.512
374 HE1 TRP 53 1HE TRP 53 1.394 -0.401 -8.421
375 HE3 TRP 53 3HE TRP 53 4.791 3.283 -10.286
376 HZ2 TRP 53 2HZ TRP 53 3.386 -1.498 -10.093
377 HZ3 TRP 53 3HZ TRP 53 6.025 1.541 -11.510
378 HH2 TRP 53 2HH TRP 53 5.336 -0.800 -11.413
379 H SER 54 HN SER 54 1.381 3.038 -11.196
380 HA SER 54 HA SER 54 -1.436 3.678 -11.444
381 HB2 SER 54 2HB SER 54 -0.926 1.284 -12.814
382 HB3 SER 54 3HB SER 54 -1.035 2.901 -13.509
383 HG SER 54 HG SER 54 1.011 1.479 -13.703
384 H CYS 55 HN CYS 55 -3.137 2.233 -10.983
385 HA CYS 55 HA CYS 55 -2.586 -0.197 -9.510
386 HB2 CYS 55 2HB CYS 55 -4.426 1.580 -8.034
387 HB3 CYS 55 3HB CYS 55 -3.221 0.449 -7.428
388 H HIS 56 HN HIS 56 -4.612 -1.360 -8.950
389 HA HIS 56 HA HIS 56 -6.237 -1.837 -11.062
390 HB2 HIS 56 2HB HIS 56 -6.101 -2.970 -8.704
391 HB3 HIS 56 3HB HIS 56 -7.461 -1.917 -8.327
392 HD1 HIS 56 1HD HIS 56 -6.538 -4.969 -10.224
393 HD2 HIS 56 2HD HIS 56 -9.853 -2.515 -9.724
394 HE1 HIS 56 1HE HIS 56 -8.476 -6.252 -11.185
395 H TYR 57 HN TYR 57 -7.418 0.057 -8.279
396 HA TYR 57 HA TYR 57 -9.589 1.154 -9.752
397 HB2 TYR 57 2HB TYR 57 -8.454 2.263 -7.185
398 HB3 TYR 57 3HB TYR 57 -10.106 2.388 -7.779
399 HD1 TYR 57 1HD TYR 57 -11.390 0.137 -8.060
400 HD2 TYR 57 2HD TYR 57 -7.912 0.604 -5.654
401 HE1 TYR 57 1HE TYR 57 -12.003 -1.880 -6.793
402 HE2 TYR 57 2HE TYR 57 -8.514 -1.412 -4.381
403 HH TYR 57 HH TYR 57 -11.425 -2.721 -4.281
404 H CYS 58 HN CYS 58 -6.387 1.769 -10.013
405 HA CYS 58 HA CYS 58 -6.786 4.617 -10.647
406 HB2 CYS 58 2HB CYS 58 -4.361 3.060 -9.787
407 HB3 CYS 58 3HB CYS 58 -4.197 4.606 -10.613
408 H ASP 59 HN ASP 59 -7.398 2.202 -12.311
409 HA ASP 59 HA ASP 59 -7.338 1.659 -14.520
410 HB2 ASP 59 2HB ASP 59 -6.836 4.399 -14.463
411 HB3 ASP 59 3HB ASP 59 -5.559 3.745 -15.484
412 H ASN 60 HN ASN 60 -5.797 1.032 -16.309
413 HA ASN 60 HA ASN 60 -3.021 0.848 -15.840
414 HB2 ASN 60 2HB ASN 60 -2.962 -1.668 -15.497
415 HB3 ASN 60 3HB ASN 60 -3.478 -0.717 -14.107
416 HD21 ASN 60 1HD2 ASN 60 -4.870 -1.952 -13.057
417 HD22 ASN 60 2HD2 ASN 60 -6.249 -2.729 -13.751
Start of MODEL 17
1 H1 GLU 1 HN GLU 1 3.133 4.506 5.551
2 HA GLU 1 HA GLU 1 1.014 2.824 4.394
3 HB2 GLU 1 2HB GLU 1 3.159 3.985 2.656
4 HB3 GLU 1 3HB GLU 1 1.564 3.394 2.208
5 HG2 GLU 1 2HG GLU 1 0.885 5.496 2.166
6 HG3 GLU 1 3HG GLU 1 1.075 5.532 3.918
7 H MET 2 HN MET 2 1.554 0.789 4.814
8 HA MET 2 HA MET 2 4.228 -0.133 4.100
9 HB2 MET 2 2HB MET 2 3.191 -1.245 6.638
10 HB3 MET 2 3HB MET 2 4.845 -0.901 6.152
11 HG2 MET 2 2HG MET 2 4.185 1.568 6.409
12 HG3 MET 2 3HG MET 2 2.804 0.949 7.312
13 HE1 MET 2 1HE MET 2 6.318 1.496 6.835
14 HE2 MET 2 2HE MET 2 6.526 2.297 8.392
15 HE3 MET 2 3HE MET 2 7.201 0.688 8.131
16 H CYS 3 HN CYS 3 3.961 -1.779 2.758
17 HA CYS 3 HA CYS 3 1.759 -3.017 1.913
18 HB2 CYS 3 2HB CYS 3 3.987 -3.519 1.025
19 HB3 CYS 3 3HB CYS 3 4.372 -4.434 2.478
20 H ASP 4 HN ASP 4 0.095 -3.924 2.904
21 HA ASP 4 HA ASP 4 0.048 -4.741 5.575
22 HB2 ASP 4 2HB ASP 4 -1.875 -4.242 3.805
23 HB3 ASP 4 3HB ASP 4 -1.854 -5.996 3.652
24 H VAL 5 HN VAL 5 1.370 -6.294 2.883
25 HA VAL 5 HA VAL 5 1.146 -8.960 4.077
26 HB VAL 5 HB VAL 5 2.285 -8.144 1.400
27 HG11 VAL 5 1HG1 VAL 5 1.887 -10.812 2.719
28 HG12 VAL 5 2HG1 VAL 5 2.001 -10.643 0.967
29 HG13 VAL 5 3HG1 VAL 5 3.349 -10.149 1.991
30 HG21 VAL 5 1HG2 VAL 5 -0.021 -7.760 1.259
31 HG22 VAL 5 2HG2 VAL 5 0.191 -9.381 0.594
32 HG23 VAL 5 3HG2 VAL 5 -0.408 -9.174 2.240
33 H CYS 6 HN CYS 6 3.250 -6.330 3.978
34 HA CYS 6 HA CYS 6 5.426 -7.997 5.025
35 HB2 CYS 6 2HB CYS 6 5.778 -5.743 3.038
36 HB3 CYS 6 3HB CYS 6 7.082 -6.635 3.815
37 H GLU 7 HN GLU 7 4.627 -4.565 4.447
38 HA GLU 7 HA GLU 7 4.349 -2.855 5.963
39 HB2 GLU 7 2HB GLU 7 5.376 -4.528 8.221
40 HB3 GLU 7 3HB GLU 7 4.184 -3.236 8.245
41 HG2 GLU 7 2HG GLU 7 3.110 -5.259 6.626
42 HG3 GLU 7 3HG GLU 7 3.795 -6.061 8.038
43 H VAL 8 HN VAL 8 6.229 -2.222 4.608
44 HA VAL 8 HA VAL 8 8.347 -1.277 6.257
45 HB VAL 8 HB VAL 8 9.964 -2.535 4.413
46 HG11 VAL 8 1HG1 VAL 8 10.954 -3.552 6.260
47 HG12 VAL 8 2HG1 VAL 8 10.156 -2.138 6.950
48 HG13 VAL 8 3HG1 VAL 8 9.418 -3.733 7.105
49 HG21 VAL 8 1HG2 VAL 8 8.167 -4.682 5.493
50 HG22 VAL 8 2HG2 VAL 8 7.888 -3.953 3.912
51 HG23 VAL 8 3HG2 VAL 8 9.400 -4.799 4.237
52 H TRP 9 HN TRP 9 8.029 0.738 5.451
53 HA TRP 9 HA TRP 9 7.887 1.181 2.589
54 HB2 TRP 9 2HB TRP 9 6.515 2.760 3.449
55 HB3 TRP 9 3HB TRP 9 7.312 2.730 5.020
56 HD1 TRP 9 1HD TRP 9 9.304 4.458 5.423
57 HE1 TRP 9 1HE TRP 9 10.012 6.597 4.181
58 HE3 TRP 9 3HE TRP 9 6.642 3.810 1.107
59 HZ2 TRP 9 2HZ TRP 9 9.509 7.846 1.700
60 HZ3 TRP 9 3HZ TRP 9 6.809 5.523 -0.651
61 HH2 TRP 9 2HH TRP 9 8.214 7.499 -0.359
62 H THR 10 HN THR 10 9.259 2.894 1.597
63 HA THR 10 HA THR 10 11.899 3.203 2.797
64 HB THR 10 HB THR 10 12.499 2.624 0.132
65 HG1 THR 10 1HG THR 10 11.538 0.250 0.525
66 HG21 THR 10 1HG2 THR 10 13.579 2.064 2.487
67 HG22 THR 10 2HG2 THR 10 13.978 1.131 1.045
68 HG23 THR 10 3HG2 THR 10 12.802 0.508 2.202
69 H ALA 11 HN ALA 11 11.004 3.589 -0.591
70 HA ALA 11 HA ALA 11 10.176 6.210 -0.657
71 HB1 ALA 11 1HB ALA 11 13.033 5.971 -0.104
72 HB2 ALA 11 2HB ALA 11 12.662 6.998 -1.490
73 HB3 ALA 11 3HB ALA 11 11.950 7.352 0.085
74 H GLU 12 HN GLU 12 12.026 3.654 -2.117
75 HA GLU 12 HA GLU 12 12.356 4.483 -4.708
76 HB2 GLU 12 2HB GLU 12 11.732 1.805 -3.516
77 HB3 GLU 12 3HB GLU 12 11.822 1.985 -5.263
78 HG2 GLU 12 2HG GLU 12 14.116 3.139 -4.687
79 HG3 GLU 12 3HG GLU 12 13.969 2.173 -3.220
80 H SER 13 HN SER 13 9.876 2.055 -4.428
81 HA SER 13 HA SER 13 7.765 3.850 -5.280
82 HB2 SER 13 2HB SER 13 7.282 2.522 -7.335
83 HB3 SER 13 3HB SER 13 8.821 3.379 -7.413
84 HG SER 13 HG SER 13 9.877 1.528 -7.341
85 H LEU 14 HN LEU 14 6.422 3.264 -3.663
86 HA LEU 14 HA LEU 14 5.981 0.433 -3.105
87 HB2 LEU 14 2HB LEU 14 5.973 2.782 -1.553
88 HB3 LEU 14 3HB LEU 14 4.314 2.185 -1.565
89 HG LEU 14 HG LEU 14 6.766 0.704 -0.621
90 HD11 LEU 14 1HD1 LEU 14 6.247 1.393 1.426
91 HD12 LEU 14 2HD1 LEU 14 4.553 0.955 1.216
92 HD13 LEU 14 3HD1 LEU 14 5.128 2.534 0.681
93 HD21 LEU 14 1HD2 LEU 14 5.198 -1.082 0.009
94 HD22 LEU 14 2HD2 LEU 14 5.267 -0.840 -1.737
95 HD23 LEU 14 3HD2 LEU 14 3.900 -0.216 -0.812
96 H PHE 15 HN PHE 15 3.857 -0.474 -3.042
97 HA PHE 15 HA PHE 15 2.042 0.785 -4.982
98 HB2 PHE 15 2HB PHE 15 2.615 -2.072 -4.270
99 HB3 PHE 15 3HB PHE 15 1.074 -1.641 -5.003
100 HD1 PHE 15 1HD PHE 15 4.662 -0.760 -5.557
101 HD2 PHE 15 2HD PHE 15 0.971 -2.034 -7.251
102 HE1 PHE 15 1HE PHE 15 5.709 -0.827 -7.783
103 HE2 PHE 15 2HE PHE 15 2.012 -2.103 -9.478
104 HZ PHE 15 HZ PHE 15 4.384 -1.499 -9.747
105 HA PRO 16 HA PRO 16 -0.082 -0.020 -5.699
106 HB2 PRO 16 2HB PRO 16 -2.157 1.721 -5.878
107 HB3 PRO 16 3HB PRO 16 -2.360 0.029 -5.409
108 HG2 PRO 16 2HG PRO 16 -2.220 2.470 -3.681
109 HG3 PRO 16 3HG PRO 16 -3.312 1.078 -3.564
110 HD2 PRO 16 2HD PRO 16 -1.133 1.356 -1.983
111 HD3 PRO 16 3HD PRO 16 -1.736 -0.229 -2.506
112 H CYS 17 HN CYS 17 -0.466 3.110 -4.018
113 HA CYS 17 HA CYS 17 1.700 4.256 -5.544
114 HB2 CYS 17 2HB CYS 17 0.456 5.979 -6.635
115 HB3 CYS 17 3HB CYS 17 -0.332 4.454 -7.029
116 H ARG 18 HN ARG 18 0.834 6.979 -5.078
117 HA ARG 18 HA ARG 18 1.964 7.488 -2.612
118 HB2 ARG 18 2HB ARG 18 1.834 9.530 -3.505
119 HB3 ARG 18 3HB ARG 18 0.607 8.999 -4.647
120 HG2 ARG 18 2HG ARG 18 -0.330 10.791 -3.436
121 HG3 ARG 18 3HG ARG 18 -1.083 9.323 -2.811
122 HD2 ARG 18 2HD ARG 18 -0.496 10.024 -0.780
123 HD3 ARG 18 3HD ARG 18 1.167 9.655 -1.230
124 HE ARG 18 HE ARG 18 1.589 11.906 -1.422
125 HH11 ARG 18 1HH1 ARG 18 -1.842 11.374 -1.167
126 HH12 ARG 18 2HH1 ARG 18 -2.219 13.052 -0.963
127 HH21 ARG 18 1HH2 ARG 18 1.106 14.119 -1.154
128 HH22 ARG 18 2HH2 ARG 18 -0.542 14.614 -0.957
129 H VAL 19 HN VAL 19 -1.423 6.937 -3.425
130 HA VAL 19 HA VAL 19 -1.983 6.568 -0.569
131 HB VAL 19 HB VAL 19 -2.938 8.657 -0.732
132 HG11 VAL 19 1HG1 VAL 19 -2.856 8.135 -3.536
133 HG12 VAL 19 2HG1 VAL 19 -4.457 8.741 -3.110
134 HG13 VAL 19 3HG1 VAL 19 -3.021 9.679 -2.700
135 HG21 VAL 19 1HG2 VAL 19 -4.640 6.577 -0.483
136 HG22 VAL 19 2HG2 VAL 19 -5.120 8.266 -0.311
137 HG23 VAL 19 3HG2 VAL 19 -5.374 7.428 -1.843
138 H CYS 20 HN CYS 20 -4.305 6.669 -3.209
139 HA CYS 20 HA CYS 20 -5.816 5.116 -3.925
140 HB2 CYS 20 2HB CYS 20 -3.151 4.105 -4.345
141 HB3 CYS 20 3HB CYS 20 -4.258 2.768 -4.050
142 H THR 21 HN THR 21 -6.045 2.378 -3.536
143 HA THR 21 HA THR 21 -7.163 2.317 -0.891
144 HB THR 21 HB THR 21 -7.803 -0.034 -1.491
145 HG1 THR 21 1HG THR 21 -6.726 0.645 -4.041
146 HG21 THR 21 1HG2 THR 21 -9.343 0.661 -3.374
147 HG22 THR 21 2HG2 THR 21 -8.532 2.227 -3.345
148 HG23 THR 21 3HG2 THR 21 -9.409 1.662 -1.924
149 H ARG 22 HN ARG 22 -6.185 1.666 0.904
150 HA ARG 22 HA ARG 22 -4.377 1.054 2.215
151 HB2 ARG 22 2HB ARG 22 -6.004 -1.001 1.590
152 HB3 ARG 22 3HB ARG 22 -4.483 -1.636 0.980
153 HG2 ARG 22 2HG ARG 22 -3.668 -1.996 3.032
154 HG3 ARG 22 3HG ARG 22 -4.309 -0.476 3.660
155 HD2 ARG 22 2HD ARG 22 -6.236 -2.644 3.020
156 HD3 ARG 22 3HD ARG 22 -5.230 -2.832 4.456
157 HE ARG 22 HE ARG 22 -7.452 -1.084 4.147
158 HH11 ARG 22 1HH1 ARG 22 -4.346 -1.390 5.687
159 HH12 ARG 22 2HH1 ARG 22 -4.745 -0.327 6.996
160 HH21 ARG 22 1HH2 ARG 22 -7.989 0.318 5.865
161 HH22 ARG 22 2HH2 ARG 22 -6.818 0.643 7.097
162 H VAL 23 HN VAL 23 -2.650 -1.256 1.560
163 HA VAL 23 HA VAL 23 -1.026 -0.214 -0.639
164 HB VAL 23 HB VAL 23 1.035 -0.399 0.734
165 HG11 VAL 23 1HG1 VAL 23 -0.449 1.580 2.283
166 HG12 VAL 23 2HG1 VAL 23 0.913 1.791 1.182
167 HG13 VAL 23 3HG1 VAL 23 -0.729 1.690 0.546
168 HG21 VAL 23 1HG2 VAL 23 0.189 -1.901 2.458
169 HG22 VAL 23 2HG2 VAL 23 0.843 -0.430 3.176
170 HG23 VAL 23 3HG2 VAL 23 -0.902 -0.640 3.035
171 H PHE 24 HN PHE 24 -0.266 -1.798 -1.882
172 HA PHE 24 HA PHE 24 0.272 -4.427 -0.736
173 HB2 PHE 24 2HB PHE 24 -1.060 -4.799 -3.259
174 HB3 PHE 24 3HB PHE 24 -1.465 -5.471 -1.683
175 HD1 PHE 24 1HD PHE 24 -3.218 -4.558 -0.361
176 HD2 PHE 24 2HD PHE 24 -2.042 -2.666 -3.988
177 HE1 PHE 24 1HE PHE 24 -5.241 -3.160 -0.283
178 HE2 PHE 24 2HE PHE 24 -4.064 -1.264 -3.916
179 HZ PHE 24 HZ PHE 24 -5.665 -1.510 -2.062
180 H HIS 25 HN HIS 25 2.315 -4.788 -1.280
181 HA HIS 25 HA HIS 25 3.859 -3.534 -3.138
182 HB2 HIS 25 2HB HIS 25 3.978 -6.293 -1.975
183 HB3 HIS 25 3HB HIS 25 5.131 -5.826 -3.222
184 HD2 HIS 25 2HD HIS 25 4.646 -2.746 -1.201
185 HE1 HIS 25 1HE HIS 25 7.755 -4.860 0.764
186 HE2 HIS 25 2HE HIS 25 6.489 -2.688 0.612
187 H ASP 26 HN ASP 26 4.883 -4.572 -5.135
188 HA ASP 26 HA ASP 26 2.734 -5.175 -6.985
189 HB2 ASP 26 2HB ASP 26 4.044 -4.201 -8.525
190 HB3 ASP 26 3HB ASP 26 5.098 -3.747 -7.190
191 H GLY 27 HN GLY 27 5.347 -6.811 -5.386
192 HA2 GLY 27 1HA GLY 27 5.122 -9.148 -7.123
193 HA3 GLY 27 2HA GLY 27 6.284 -8.926 -5.824
194 H CYS 28 HN CYS 28 4.533 -8.262 -3.743
195 HA CYS 28 HA CYS 28 3.858 -10.736 -2.718
196 HB2 CYS 28 2HB CYS 28 2.875 -7.964 -2.075
197 HB3 CYS 28 3HB CYS 28 2.293 -9.371 -1.190
198 H LEU 29 HN LEU 29 1.675 -8.353 -4.216
199 HA LEU 29 HA LEU 29 -0.733 -9.586 -4.011
200 HB2 LEU 29 2HB LEU 29 0.357 -8.249 -6.484
201 HB3 LEU 29 3HB LEU 29 -1.348 -8.557 -6.156
202 HG LEU 29 HG LEU 29 0.283 -6.867 -4.293
203 HD11 LEU 29 1HD1 LEU 29 -0.414 -4.890 -5.545
204 HD12 LEU 29 2HD1 LEU 29 -1.108 -5.922 -6.796
205 HD13 LEU 29 3HD1 LEU 29 0.633 -5.928 -6.515
206 HD21 LEU 29 1HD2 LEU 29 -2.374 -5.979 -4.691
207 HD22 LEU 29 2HD2 LEU 29 -1.668 -6.711 -3.249
208 HD23 LEU 29 3HD2 LEU 29 -2.425 -7.728 -4.476
209 H ARG 30 HN ARG 30 1.985 -10.671 -5.844
210 HA ARG 30 HA ARG 30 0.402 -12.606 -7.343
211 HB2 ARG 30 2HB ARG 30 2.028 -12.347 -8.847
212 HB3 ARG 30 3HB ARG 30 2.903 -11.300 -7.738
213 HG2 ARG 30 2HG ARG 30 3.952 -13.288 -6.730
214 HG3 ARG 30 3HG ARG 30 3.120 -14.298 -7.915
215 HD2 ARG 30 2HD ARG 30 4.408 -13.537 -9.665
216 HD3 ARG 30 3HD ARG 30 4.783 -12.013 -8.864
217 HE ARG 30 HE ARG 30 6.041 -13.797 -7.303
218 HH11 ARG 30 1HH1 ARG 30 6.000 -13.331 -10.753
219 HH12 ARG 30 2HH1 ARG 30 7.609 -13.929 -10.984
220 HH21 ARG 30 1HH2 ARG 30 8.161 -14.587 -7.595
221 HH22 ARG 30 2HH2 ARG 30 8.837 -14.644 -9.187
222 H ARG 31 HN ARG 31 2.896 -12.521 -4.834
223 HA ARG 31 HA ARG 31 3.317 -15.263 -4.559
224 HB2 ARG 31 2HB ARG 31 3.692 -12.882 -2.824
225 HB3 ARG 31 3HB ARG 31 3.704 -14.453 -2.033
226 HG2 ARG 31 2HG ARG 31 5.443 -15.144 -3.739
227 HG3 ARG 31 3HG ARG 31 5.550 -13.437 -4.171
228 HD2 ARG 31 2HD ARG 31 5.815 -14.311 -1.319
229 HD3 ARG 31 3HD ARG 31 7.191 -14.406 -2.417
230 HE ARG 31 HE ARG 31 6.269 -11.859 -2.714
231 HH11 ARG 31 1HH1 ARG 31 7.295 -13.797 -0.010
232 HH12 ARG 31 2HH1 ARG 31 7.879 -12.446 0.905
233 HH21 ARG 31 1HH2 ARG 31 7.036 -10.072 -1.521
234 HH22 ARG 31 2HH2 ARG 31 7.730 -10.328 0.045
235 H MET 32 HN MET 32 1.277 -13.226 -2.451
236 HA MET 32 HA MET 32 0.050 -15.292 -1.063
237 HB2 MET 32 2HB MET 32 -1.206 -12.639 -1.783
238 HB3 MET 32 3HB MET 32 -1.656 -13.680 -0.439
239 HG2 MET 32 2HG MET 32 1.154 -12.755 -0.566
240 HG3 MET 32 3HG MET 32 -0.082 -11.569 -0.149
241 HE1 MET 32 1HE MET 32 -1.948 -13.558 2.619
242 HE2 MET 32 2HE MET 32 -1.434 -11.873 2.676
243 HE3 MET 32 3HE MET 32 -2.102 -12.540 1.186
244 H GLY 33 HN GLY 33 -1.058 -13.622 -4.004
245 HA2 GLY 33 1HA GLY 33 -1.999 -15.167 -5.728
246 HA3 GLY 33 2HA GLY 33 -2.950 -15.855 -4.420
247 H TYR 34 HN TYR 34 -2.464 -12.453 -4.375
248 HA TYR 34 HA TYR 34 -5.243 -11.922 -4.500
249 HB2 TYR 34 2HB TYR 34 -2.761 -10.303 -4.294
250 HB3 TYR 34 3HB TYR 34 -4.202 -9.478 -4.877
251 HD1 TYR 34 1HD TYR 34 -2.406 -10.529 -2.009
252 HD2 TYR 34 2HD TYR 34 -6.341 -9.740 -3.422
253 HE1 TYR 34 1HE TYR 34 -3.178 -10.259 0.310
254 HE2 TYR 34 2HE TYR 34 -7.124 -9.466 -1.107
255 HH TYR 34 HH TYR 34 -5.380 -8.827 1.362
256 H ILE 35 HN ILE 35 -2.748 -12.097 -6.890
257 HA ILE 35 HA ILE 35 -4.718 -11.385 -8.950
258 HB ILE 35 HB ILE 35 -2.941 -10.289 -10.272
259 HG12 ILE 35 2HG1 ILE 35 -1.244 -10.060 -7.826
260 HG13 ILE 35 3HG1 ILE 35 -1.145 -11.539 -8.774
261 HG21 ILE 35 1HG2 ILE 35 -3.654 -8.362 -9.428
262 HG22 ILE 35 2HG2 ILE 35 -4.357 -9.273 -8.092
263 HG23 ILE 35 3HG2 ILE 35 -2.730 -8.607 -7.946
264 HD11 ILE 35 1HD1 ILE 35 0.206 -10.550 -10.210
265 HD12 ILE 35 2HD1 ILE 35 -1.003 -9.305 -10.533
266 HD13 ILE 35 3HD1 ILE 35 0.157 -9.090 -9.222
267 H GLN 36 HN GLN 36 -4.640 -12.582 -10.814
268 HA GLN 36 HA GLN 36 -3.448 -15.147 -10.667
269 HB2 GLN 36 2HB GLN 36 -4.567 -13.817 -13.135
270 HB3 GLN 36 3HB GLN 36 -4.401 -15.542 -12.836
271 HG2 GLN 36 2HG GLN 36 -6.031 -15.326 -10.982
272 HG3 GLN 36 3HG GLN 36 -6.261 -13.638 -11.436
273 HE21 GLN 36 1HE2 GLN 36 -8.156 -15.869 -11.396
274 HE22 GLN 36 2HE2 GLN 36 -8.793 -15.975 -12.998
275 H GLY 37 HN GLY 37 -2.710 -12.261 -12.603
276 HA2 GLY 37 1HA GLY 37 -0.342 -11.714 -12.914
277 HA3 GLY 37 2HA GLY 37 -0.049 -13.434 -13.123
278 H ASP 38 HN ASP 38 0.668 -13.631 -15.153
279 HA ASP 38 HA ASP 38 0.448 -13.873 -17.428
280 HB2 ASP 38 2HB ASP 38 -2.138 -13.699 -16.756
281 HB3 ASP 38 3HB ASP 38 -1.982 -12.171 -17.619
282 H SER 39 HN SER 39 1.625 -12.755 -18.846
283 HA SER 39 HA SER 39 2.570 -11.014 -19.984
284 HB2 SER 39 2HB SER 39 0.040 -9.978 -19.192
285 HB3 SER 39 3HB SER 39 1.244 -8.720 -18.911
286 HG SER 39 HG SER 39 1.961 -9.393 -21.161
287 H ALA 40 HN ALA 40 3.138 -8.408 -19.148
288 HA ALA 40 HA ALA 40 4.134 -8.298 -16.492
289 HB1 ALA 40 1HB ALA 40 5.840 -9.769 -16.987
290 HB2 ALA 40 2HB ALA 40 5.997 -9.196 -18.649
291 HB3 ALA 40 3HB ALA 40 6.601 -8.212 -17.316
292 H ALA 41 HN ALA 41 5.268 -6.314 -16.041
293 HA ALA 41 HA ALA 41 5.634 -4.357 -18.108
294 HB1 ALA 41 1HB ALA 41 3.381 -3.896 -18.074
295 HB2 ALA 41 2HB ALA 41 3.221 -4.269 -16.357
296 HB3 ALA 41 3HB ALA 41 3.984 -2.763 -16.864
297 H GLU 42 HN GLU 42 4.564 -3.264 -15.011
298 HA GLU 42 HA GLU 42 5.705 -1.904 -13.535
299 HB2 GLU 42 2HB GLU 42 7.767 -3.852 -12.956
300 HB3 GLU 42 3HB GLU 42 6.420 -3.321 -11.958
301 HG2 GLU 42 2HG GLU 42 4.960 -4.928 -12.966
302 HG3 GLU 42 3HG GLU 42 6.195 -5.379 -14.138
303 H VAL 43 HN VAL 43 6.592 -1.446 -16.194
304 HA VAL 43 HA VAL 43 9.306 -1.525 -16.664
305 HB VAL 43 HB VAL 43 7.387 0.694 -17.387
306 HG11 VAL 43 1HG1 VAL 43 10.246 0.281 -17.944
307 HG12 VAL 43 2HG1 VAL 43 9.254 0.697 -19.343
308 HG13 VAL 43 3HG1 VAL 43 9.292 1.764 -17.938
309 HG21 VAL 43 1HG2 VAL 43 6.583 -1.320 -18.319
310 HG22 VAL 43 2HG2 VAL 43 7.449 -0.505 -19.621
311 HG23 VAL 43 3HG2 VAL 43 8.204 -1.851 -18.767
312 H THR 44 HN THR 44 7.695 1.458 -15.573
313 HA THR 44 HA THR 44 9.849 1.894 -13.639
314 HB THR 44 HB THR 44 10.367 3.053 -15.863
315 HG1 THR 44 1HG THR 44 11.404 3.691 -13.960
316 HG21 THR 44 1HG2 THR 44 9.234 5.129 -16.325
317 HG22 THR 44 2HG2 THR 44 8.228 4.948 -14.887
318 HG23 THR 44 3HG2 THR 44 8.034 3.839 -16.245
319 H GLU 45 HN GLU 45 9.078 2.584 -11.751
320 HA GLU 45 HA GLU 45 6.636 4.188 -11.679
321 HB2 GLU 45 2HB GLU 45 6.506 1.489 -11.209
322 HB3 GLU 45 3HB GLU 45 6.716 2.132 -9.587
323 HG2 GLU 45 2HG GLU 45 4.795 3.669 -10.043
324 HG3 GLU 45 3HG GLU 45 4.531 2.783 -11.545
325 H MET 46 HN MET 46 6.390 5.444 -9.793
326 HA MET 46 HA MET 46 8.776 5.554 -8.068
327 HB2 MET 46 2HB MET 46 7.141 7.954 -8.887
328 HB3 MET 46 3HB MET 46 8.687 7.943 -8.048
329 HG2 MET 46 2HG MET 46 9.521 6.738 -10.206
330 HG3 MET 46 3HG MET 46 8.089 7.473 -10.926
331 HE1 MET 46 1HE MET 46 7.594 10.202 -10.343
332 HE2 MET 46 2HE MET 46 8.224 10.044 -8.704
333 HE3 MET 46 3HE MET 46 8.878 11.276 -9.785
334 H ALA 47 HN ALA 47 7.145 7.955 -6.892
335 HA ALA 47 HA ALA 47 4.888 6.785 -5.622
336 HB1 ALA 47 1HB ALA 47 6.354 7.204 -3.317
337 HB2 ALA 47 2HB ALA 47 5.913 5.642 -4.008
338 HB3 ALA 47 3HB ALA 47 7.478 6.363 -4.386
339 H HIS 48 HN HIS 48 5.799 9.249 -6.974
340 HA HIS 48 HA HIS 48 4.636 11.129 -5.091
341 HB2 HIS 48 2HB HIS 48 7.329 11.023 -5.091
342 HB3 HIS 48 3HB HIS 48 7.081 12.156 -6.416
343 HD1 HIS 48 1HD HIS 48 8.210 13.959 -4.839
344 HD2 HIS 48 2HD HIS 48 4.541 12.501 -3.544
345 HE1 HIS 48 1HE HIS 48 7.429 15.573 -3.075
346 H THR 49 HN THR 49 5.321 13.454 -6.576
347 HA THR 49 HA THR 49 4.803 14.636 -8.470
348 HB THR 49 HB THR 49 3.836 12.356 -10.072
349 HG1 THR 49 1HG THR 49 6.152 11.755 -10.387
350 HG21 THR 49 1HG2 THR 49 4.622 14.884 -10.615
351 HG22 THR 49 2HG2 THR 49 4.659 13.572 -11.793
352 HG23 THR 49 3HG2 THR 49 6.125 14.012 -10.919
353 H GLU 50 HN GLU 50 2.694 13.917 -10.346
354 HA GLU 50 HA GLU 50 0.375 14.153 -8.541
355 HB2 GLU 50 2HB GLU 50 1.137 16.123 -10.108
356 HB3 GLU 50 3HB GLU 50 0.322 15.184 -11.350
357 HG2 GLU 50 2HG GLU 50 -1.743 15.248 -10.055
358 HG3 GLU 50 3HG GLU 50 -0.928 16.180 -8.800
359 H THR 51 HN THR 51 1.582 12.801 -11.562
360 HA THR 51 HA THR 51 -0.457 10.711 -11.386
361 HB THR 51 HB THR 51 -0.951 10.835 -13.786
362 HG1 THR 51 1HG THR 51 0.535 11.875 -14.894
363 HG21 THR 51 1HG2 THR 51 -1.431 13.337 -12.176
364 HG22 THR 51 2HG2 THR 51 -2.518 11.967 -12.411
365 HG23 THR 51 3HG2 THR 51 -2.170 13.057 -13.753
366 H GLY 52 HN GLY 52 0.016 8.991 -13.158
367 HA2 GLY 52 1HA GLY 52 1.735 7.953 -14.522
368 HA3 GLY 52 2HA GLY 52 2.935 8.700 -13.478
369 H TRP 53 HN TRP 53 0.333 7.539 -11.696
370 HA TRP 53 HA TRP 53 1.708 4.983 -11.190
371 HB2 TRP 53 2HB TRP 53 0.781 5.371 -8.766
372 HB3 TRP 53 3HB TRP 53 2.285 6.138 -9.269
373 HD1 TRP 53 1HD TRP 53 -1.074 7.577 -10.389
374 HE1 TRP 53 1HE TRP 53 -1.400 9.874 -9.274
375 HE3 TRP 53 3HE TRP 53 2.930 7.512 -7.211
376 HZ2 TRP 53 2HZ TRP 53 -0.128 11.450 -7.309
377 HZ3 TRP 53 3HZ TRP 53 3.304 9.453 -5.747
378 HH2 TRP 53 2HH TRP 53 1.807 11.381 -5.797
379 H SER 54 HN SER 54 0.273 3.760 -12.382
380 HA SER 54 HA SER 54 -2.573 4.001 -11.999
381 HB2 SER 54 2HB SER 54 -1.902 1.550 -13.299
382 HB3 SER 54 3HB SER 54 -2.601 3.007 -14.004
383 HG SER 54 HG SER 54 0.135 2.333 -13.732
384 H CYS 55 HN CYS 55 -3.944 2.499 -11.030
385 HA CYS 55 HA CYS 55 -2.856 0.205 -9.651
386 HB2 CYS 55 2HB CYS 55 -4.354 2.003 -7.831
387 HB3 CYS 55 3HB CYS 55 -3.021 0.906 -7.487
388 H HIS 56 HN HIS 56 -4.486 -1.197 -8.806
389 HA HIS 56 HA HIS 56 -6.628 -1.727 -10.345
390 HB2 HIS 56 2HB HIS 56 -5.724 -2.979 -8.260
391 HB3 HIS 56 3HB HIS 56 -6.918 -2.038 -7.370
392 HD1 HIS 56 1HD HIS 56 -6.750 -5.257 -8.186
393 HD2 HIS 56 2HD HIS 56 -9.432 -2.349 -9.455
394 HE1 HIS 56 1HE HIS 56 -8.799 -6.512 -8.929
395 H TYR 57 HN TYR 57 -6.951 0.084 -7.285
396 HA TYR 57 HA TYR 57 -9.481 1.185 -8.268
397 HB2 TYR 57 2HB TYR 57 -8.364 1.562 -5.498
398 HB3 TYR 57 3HB TYR 57 -10.040 1.662 -6.026
399 HD1 TYR 57 1HD TYR 57 -7.237 -0.700 -5.458
400 HD2 TYR 57 2HD TYR 57 -11.433 -0.240 -5.994
401 HE1 TYR 57 1HE TYR 57 -7.571 -3.051 -4.818
402 HE2 TYR 57 2HE TYR 57 -11.779 -2.589 -5.355
403 HH TYR 57 HH TYR 57 -9.425 -4.847 -5.313
404 H CYS 58 HN CYS 58 -7.077 2.140 -9.428
405 HA CYS 58 HA CYS 58 -6.554 4.730 -8.215
406 HB2 CYS 58 2HB CYS 58 -4.874 3.092 -9.454
407 HB3 CYS 58 3HB CYS 58 -5.441 3.961 -10.875
408 H ASP 59 HN ASP 59 -7.695 3.505 -11.360
409 HA ASP 59 HA ASP 59 -9.294 5.953 -11.638
410 HB2 ASP 59 2HB ASP 59 -7.838 4.718 -13.972
411 HB3 ASP 59 3HB ASP 59 -8.647 6.280 -13.900
412 H ASN 60 HN ASN 60 -10.707 5.587 -13.797
413 HA ASN 60 HA ASN 60 -11.696 2.847 -13.916
414 HB2 ASN 60 2HB ASN 60 -13.675 5.067 -13.467
415 HB3 ASN 60 3HB ASN 60 -13.904 3.330 -13.281
416 HD21 ASN 60 1HD2 ASN 60 -12.089 6.058 -11.952
417 HD22 ASN 60 2HD2 ASN 60 -12.081 5.484 -10.323
Start of MODEL 18
1 H1 GLU 1 HN GLU 1 3.152 5.322 4.018
2 HA GLU 1 HA GLU 1 1.846 3.478 3.763
3 HB2 GLU 1 2HB GLU 1 3.141 3.617 1.051
4 HB3 GLU 1 3HB GLU 1 2.013 2.331 1.461
5 HG2 GLU 1 2HG GLU 1 0.610 3.837 0.479
6 HG3 GLU 1 3HG GLU 1 0.469 4.313 2.171
7 H MET 2 HN MET 2 1.962 1.400 4.430
8 HA MET 2 HA MET 2 4.543 0.012 4.147
9 HB2 MET 2 2HB MET 2 2.941 -0.444 6.612
10 HB3 MET 2 3HB MET 2 4.683 -0.497 6.378
11 HG2 MET 2 2HG MET 2 4.332 2.100 5.998
12 HG3 MET 2 3HG MET 2 2.916 1.795 7.001
13 HE1 MET 2 1HE MET 2 7.255 0.950 8.074
14 HE2 MET 2 2HE MET 2 6.529 1.135 6.477
15 HE3 MET 2 3HE MET 2 6.916 2.562 7.441
16 H CYS 3 HN CYS 3 4.130 -1.633 2.814
17 HA CYS 3 HA CYS 3 1.839 -2.800 2.051
18 HB2 CYS 3 2HB CYS 3 4.029 -3.447 1.162
19 HB3 CYS 3 3HB CYS 3 4.400 -4.289 2.663
20 H ASP 4 HN ASP 4 0.155 -3.560 3.131
21 HA ASP 4 HA ASP 4 0.129 -4.216 5.845
22 HB2 ASP 4 2HB ASP 4 -1.802 -3.747 4.059
23 HB3 ASP 4 3HB ASP 4 -1.874 -5.507 4.062
24 H VAL 5 HN VAL 5 1.349 -5.975 3.242
25 HA VAL 5 HA VAL 5 1.021 -8.556 4.595
26 HB VAL 5 HB VAL 5 2.142 -7.965 1.851
27 HG11 VAL 5 1HG1 VAL 5 1.797 -10.432 1.536
28 HG12 VAL 5 2HG1 VAL 5 3.088 -9.996 2.658
29 HG13 VAL 5 3HG1 VAL 5 1.530 -10.548 3.275
30 HG21 VAL 5 1HG2 VAL 5 -0.006 -9.032 1.093
31 HG22 VAL 5 2HG2 VAL 5 -0.581 -8.885 2.753
32 HG23 VAL 5 3HG2 VAL 5 -0.177 -7.439 1.830
33 H CYS 6 HN CYS 6 3.242 -6.037 4.270
34 HA CYS 6 HA CYS 6 5.365 -7.735 5.379
35 HB2 CYS 6 2HB CYS 6 5.780 -5.617 3.257
36 HB3 CYS 6 3HB CYS 6 7.051 -6.546 4.046
37 H GLU 7 HN GLU 7 4.671 -4.316 4.615
38 HA GLU 7 HA GLU 7 4.505 -2.510 6.032
39 HB2 GLU 7 2HB GLU 7 5.552 -4.110 8.340
40 HB3 GLU 7 3HB GLU 7 4.447 -2.743 8.350
41 HG2 GLU 7 2HG GLU 7 3.197 -4.799 6.883
42 HG3 GLU 7 3HG GLU 7 3.859 -5.528 8.345
43 H VAL 8 HN VAL 8 6.408 -2.182 4.512
44 HA VAL 8 HA VAL 8 8.554 -1.049 5.976
45 HB VAL 8 HB VAL 8 10.025 -2.791 4.309
46 HG11 VAL 8 1HG1 VAL 8 11.183 -3.328 6.304
47 HG12 VAL 8 2HG1 VAL 8 10.653 -1.654 6.473
48 HG13 VAL 8 3HG1 VAL 8 9.783 -2.944 7.305
49 HG21 VAL 8 1HG2 VAL 8 8.397 -4.423 6.225
50 HG22 VAL 8 2HG2 VAL 8 7.879 -4.190 4.556
51 HG23 VAL 8 3HG2 VAL 8 9.425 -4.967 4.899
52 H TRP 9 HN TRP 9 8.903 0.741 4.857
53 HA TRP 9 HA TRP 9 8.500 0.734 1.961
54 HB2 TRP 9 2HB TRP 9 7.431 2.631 2.558
55 HB3 TRP 9 3HB TRP 9 8.272 2.727 4.101
56 HD1 TRP 9 1HD TRP 9 10.354 4.318 4.259
57 HE1 TRP 9 1HE TRP 9 11.387 6.047 2.655
58 HE3 TRP 9 3HE TRP 9 7.840 3.067 -0.012
59 HZ2 TRP 9 2HZ TRP 9 11.164 6.783 -0.061
60 HZ3 TRP 9 3HZ TRP 9 8.307 4.333 -2.071
61 HH2 TRP 9 2HH TRP 9 9.935 6.152 -2.092
62 H THR 10 HN THR 10 10.033 2.029 0.631
63 HA THR 10 HA THR 10 12.729 2.314 1.631
64 HB THR 10 HB THR 10 12.978 0.772 -0.776
65 HG1 THR 10 1HG THR 10 11.059 -0.265 -0.178
66 HG21 THR 10 1HG2 THR 10 14.381 -0.648 0.697
67 HG22 THR 10 2HG2 THR 10 13.817 0.285 2.083
68 HG23 THR 10 3HG2 THR 10 14.768 1.067 0.822
69 H ALA 11 HN ALA 11 11.580 1.704 -1.666
70 HA ALA 11 HA ALA 11 11.160 4.299 -2.519
71 HB1 ALA 11 1HB ALA 11 13.969 3.698 -2.133
72 HB2 ALA 11 2HB ALA 11 13.614 4.177 -3.793
73 HB3 ALA 11 3HB ALA 11 13.177 5.241 -2.457
74 H GLU 12 HN GLU 12 12.369 1.106 -3.236
75 HA GLU 12 HA GLU 12 12.509 0.848 -5.885
76 HB2 GLU 12 2HB GLU 12 10.616 -1.029 -4.533
77 HB3 GLU 12 3HB GLU 12 11.900 -1.377 -5.682
78 HG2 GLU 12 2HG GLU 12 13.482 -0.620 -3.787
79 HG3 GLU 12 3HG GLU 12 12.085 -0.876 -2.743
80 H SER 13 HN SER 13 9.335 0.572 -4.274
81 HA SER 13 HA SER 13 7.851 2.366 -5.633
82 HB2 SER 13 2HB SER 13 8.578 0.103 -7.396
83 HB3 SER 13 3HB SER 13 6.879 0.574 -7.422
84 HG SER 13 HG SER 13 7.430 2.240 -8.559
85 H LEU 14 HN LEU 14 6.800 2.130 -3.636
86 HA LEU 14 HA LEU 14 5.611 -0.294 -2.769
87 HB2 LEU 14 2HB LEU 14 5.886 2.376 -1.817
88 HB3 LEU 14 3HB LEU 14 4.188 1.916 -1.707
89 HG LEU 14 HG LEU 14 6.475 0.368 -0.491
90 HD11 LEU 14 1HD1 LEU 14 5.920 2.704 0.442
91 HD12 LEU 14 2HD1 LEU 14 6.004 1.346 1.562
92 HD13 LEU 14 3HD1 LEU 14 4.437 1.951 1.028
93 HD21 LEU 14 1HD2 LEU 14 5.010 -1.244 -0.061
94 HD22 LEU 14 2HD2 LEU 14 3.863 -0.414 -1.114
95 HD23 LEU 14 3HD2 LEU 14 3.862 -0.092 0.621
96 H PHE 15 HN PHE 15 3.500 -1.012 -2.882
97 HA PHE 15 HA PHE 15 1.833 0.311 -4.919
98 HB2 PHE 15 2HB PHE 15 2.328 -2.568 -4.277
99 HB3 PHE 15 3HB PHE 15 0.771 -2.103 -4.955
100 HD1 PHE 15 1HD PHE 15 4.410 -1.546 -5.564
101 HD2 PHE 15 2HD PHE 15 0.542 -2.150 -7.236
102 HE1 PHE 15 1HE PHE 15 5.393 -1.573 -7.819
103 HE2 PHE 15 2HE PHE 15 1.519 -2.180 -9.494
104 HZ PHE 15 HZ PHE 15 3.947 -1.891 -9.788
105 HA PRO 16 HA PRO 16 -0.299 -0.394 -5.710
106 HB2 PRO 16 2HB PRO 16 -2.298 1.431 -5.914
107 HB3 PRO 16 3HB PRO 16 -2.581 -0.260 -5.483
108 HG2 PRO 16 2HG PRO 16 -2.395 2.142 -3.707
109 HG3 PRO 16 3HG PRO 16 -3.544 0.794 -3.647
110 HD2 PRO 16 2HD PRO 16 -1.402 0.955 -2.000
111 HD3 PRO 16 3HD PRO 16 -2.054 -0.596 -2.570
112 H CYS 17 HN CYS 17 -0.603 2.714 -3.977
113 HA CYS 17 HA CYS 17 1.632 3.800 -5.464
114 HB2 CYS 17 2HB CYS 17 -0.845 5.459 -5.588
115 HB3 CYS 17 3HB CYS 17 0.536 5.419 -6.682
116 H ARG 18 HN ARG 18 0.726 6.553 -4.864
117 HA ARG 18 HA ARG 18 1.805 6.728 -2.224
118 HB2 ARG 18 2HB ARG 18 2.423 8.558 -3.475
119 HB3 ARG 18 3HB ARG 18 0.865 8.664 -4.285
120 HG2 ARG 18 2HG ARG 18 1.363 10.540 -2.725
121 HG3 ARG 18 3HG ARG 18 -0.143 9.684 -2.387
122 HD2 ARG 18 2HD ARG 18 0.586 9.495 -0.289
123 HD3 ARG 18 3HD ARG 18 1.738 8.309 -0.904
124 HE ARG 18 HE ARG 18 2.919 10.765 -1.284
125 HH11 ARG 18 1HH1 ARG 18 1.709 8.933 1.418
126 HH12 ARG 18 2HH1 ARG 18 2.831 9.614 2.549
127 HH21 ARG 18 1HH2 ARG 18 4.401 11.668 0.197
128 HH22 ARG 18 2HH2 ARG 18 4.361 11.170 1.855
129 H VAL 19 HN VAL 19 -1.375 7.513 -3.627
130 HA VAL 19 HA VAL 19 -2.559 7.071 -0.973
131 HB VAL 19 HB VAL 19 -4.164 8.917 -1.416
132 HG11 VAL 19 1HG1 VAL 19 -1.314 9.205 -0.839
133 HG12 VAL 19 2HG1 VAL 19 -2.089 10.700 -1.367
134 HG13 VAL 19 3HG1 VAL 19 -2.716 9.826 0.031
135 HG21 VAL 19 1HG2 VAL 19 -2.585 10.403 -3.280
136 HG22 VAL 19 2HG2 VAL 19 -3.002 8.840 -3.984
137 HG23 VAL 19 3HG2 VAL 19 -4.274 9.912 -3.399
138 H CYS 20 HN CYS 20 -3.849 5.368 -1.157
139 HA CYS 20 HA CYS 20 -5.928 5.327 -3.154
140 HB2 CYS 20 2HB CYS 20 -4.185 2.884 -3.073
141 HB3 CYS 20 3HB CYS 20 -5.333 3.387 -4.311
142 H THR 21 HN THR 21 -6.275 2.411 -2.798
143 HA THR 21 HA THR 21 -7.602 2.538 -0.201
144 HB THR 21 HB THR 21 -8.352 0.132 -1.160
145 HG1 THR 21 1HG THR 21 -7.850 -0.033 -3.201
146 HG21 THR 21 1HG2 THR 21 -10.380 1.101 -1.318
147 HG22 THR 21 2HG2 THR 21 -9.813 2.331 -2.448
148 HG23 THR 21 3HG2 THR 21 -9.551 2.536 -0.716
149 H ARG 22 HN ARG 22 -5.645 2.344 1.049
150 HA ARG 22 HA ARG 22 -4.454 1.033 2.518
151 HB2 ARG 22 2HB ARG 22 -6.218 -0.809 1.517
152 HB3 ARG 22 3HB ARG 22 -4.671 -1.496 1.038
153 HG2 ARG 22 2HG ARG 22 -4.013 -1.060 3.515
154 HG3 ARG 22 3HG ARG 22 -5.758 -1.002 3.771
155 HD2 ARG 22 2HD ARG 22 -4.008 -3.280 3.188
156 HD3 ARG 22 3HD ARG 22 -5.560 -3.226 4.024
157 HE ARG 22 HE ARG 22 -5.120 -3.904 1.302
158 HH11 ARG 22 1HH1 ARG 22 -7.367 -2.311 3.430
159 HH12 ARG 22 2HH1 ARG 22 -8.742 -2.616 2.421
160 HH21 ARG 22 1HH2 ARG 22 -6.921 -4.311 -0.036
161 HH22 ARG 22 2HH2 ARG 22 -8.487 -3.754 0.449
162 H VAL 23 HN VAL 23 -2.793 -1.187 1.818
163 HA VAL 23 HA VAL 23 -1.154 -0.240 -0.402
164 HB VAL 23 HB VAL 23 0.907 -0.284 0.957
165 HG11 VAL 23 1HG1 VAL 23 -1.283 1.663 1.534
166 HG12 VAL 23 2HG1 VAL 23 0.266 1.815 2.366
167 HG13 VAL 23 3HG1 VAL 23 0.198 1.883 0.604
168 HG21 VAL 23 1HG2 VAL 23 0.605 -0.097 3.459
169 HG22 VAL 23 2HG2 VAL 23 -1.041 -0.684 3.217
170 HG23 VAL 23 3HG2 VAL 23 0.330 -1.697 2.769
171 H PHE 24 HN PHE 24 -0.420 -1.901 -1.553
172 HA PHE 24 HA PHE 24 0.259 -4.414 -0.263
173 HB2 PHE 24 2HB PHE 24 -1.218 -5.250 -2.489
174 HB3 PHE 24 3HB PHE 24 -1.658 -5.437 -0.795
175 HD1 PHE 24 1HD PHE 24 -1.969 -3.169 -3.706
176 HD2 PHE 24 2HD PHE 24 -3.499 -4.308 0.100
177 HE1 PHE 24 1HE PHE 24 -3.922 -1.716 -4.060
178 HE2 PHE 24 2HE PHE 24 -5.454 -2.857 -0.249
179 HZ PHE 24 HZ PHE 24 -5.669 -1.559 -2.329
180 H HIS 25 HN HIS 25 2.241 -4.788 -0.992
181 HA HIS 25 HA HIS 25 3.539 -3.651 -3.104
182 HB2 HIS 25 2HB HIS 25 3.888 -6.295 -1.733
183 HB3 HIS 25 3HB HIS 25 4.899 -5.885 -3.116
184 HD2 HIS 25 2HD HIS 25 4.869 -2.595 -1.787
185 HE1 HIS 25 1HE HIS 25 7.523 -4.556 0.879
186 HE2 HIS 25 2HE HIS 25 6.634 -2.336 0.085
187 H ASP 26 HN ASP 26 4.401 -4.858 -5.091
188 HA ASP 26 HA ASP 26 2.086 -5.766 -6.609
189 HB2 ASP 26 2HB ASP 26 3.544 -3.996 -7.541
190 HB3 ASP 26 3HB ASP 26 4.890 -5.132 -7.551
191 H GLY 27 HN GLY 27 5.007 -6.999 -5.218
192 HA2 GLY 27 1HA GLY 27 4.875 -9.469 -6.771
193 HA3 GLY 27 2HA GLY 27 6.121 -9.035 -5.610
194 H CYS 28 HN CYS 28 4.098 -8.283 -3.581
195 HA CYS 28 HA CYS 28 3.937 -10.748 -2.237
196 HB2 CYS 28 2HB CYS 28 2.854 -8.008 -1.791
197 HB3 CYS 28 3HB CYS 28 2.135 -9.329 -0.876
198 H LEU 29 HN LEU 29 1.356 -8.795 -3.734
199 HA LEU 29 HA LEU 29 -0.705 -10.657 -3.316
200 HB2 LEU 29 2HB LEU 29 -0.512 -8.658 -5.560
201 HB3 LEU 29 3HB LEU 29 -1.979 -9.381 -4.906
202 HG LEU 29 HG LEU 29 -0.176 -7.565 -3.316
203 HD11 LEU 29 1HD1 LEU 29 -2.495 -6.180 -3.859
204 HD12 LEU 29 2HD1 LEU 29 -2.098 -6.936 -5.401
205 HD13 LEU 29 3HD1 LEU 29 -0.918 -5.901 -4.597
206 HD21 LEU 29 1HD2 LEU 29 -2.536 -7.322 -2.165
207 HD22 LEU 29 2HD2 LEU 29 -1.444 -8.644 -1.751
208 HD23 LEU 29 3HD2 LEU 29 -2.784 -8.921 -2.864
209 H ARG 30 HN ARG 30 1.668 -10.314 -5.872
210 HA ARG 30 HA ARG 30 0.451 -12.128 -7.692
211 HB2 ARG 30 2HB ARG 30 2.029 -11.290 -9.025
212 HB3 ARG 30 3HB ARG 30 2.737 -10.450 -7.651
213 HG2 ARG 30 2HG ARG 30 4.210 -12.258 -7.199
214 HG3 ARG 30 3HG ARG 30 3.377 -13.302 -8.351
215 HD2 ARG 30 2HD ARG 30 4.044 -11.186 -9.923
216 HD3 ARG 30 3HD ARG 30 5.401 -11.224 -8.798
217 HE ARG 30 HE ARG 30 4.896 -13.052 -10.911
218 HH11 ARG 30 1HH1 ARG 30 6.160 -12.843 -7.674
219 HH12 ARG 30 2HH1 ARG 30 7.210 -14.209 -7.855
220 HH21 ARG 30 1HH2 ARG 30 6.272 -14.853 -11.163
221 HH22 ARG 30 2HH2 ARG 30 7.273 -15.352 -9.841
222 H ARG 31 HN ARG 31 3.280 -12.489 -5.546
223 HA ARG 31 HA ARG 31 3.641 -15.235 -5.995
224 HB2 ARG 31 2HB ARG 31 4.923 -13.249 -4.525
225 HB3 ARG 31 3HB ARG 31 4.394 -14.407 -3.311
226 HG2 ARG 31 2HG ARG 31 5.855 -15.977 -3.979
227 HG3 ARG 31 3HG ARG 31 5.671 -15.573 -5.687
228 HD2 ARG 31 2HD ARG 31 7.208 -13.813 -5.553
229 HD3 ARG 31 3HD ARG 31 7.111 -13.747 -3.793
230 HE ARG 31 HE ARG 31 8.168 -16.210 -4.883
231 HH11 ARG 31 1HH1 ARG 31 8.867 -13.035 -3.638
232 HH12 ARG 31 2HH1 ARG 31 10.504 -13.416 -3.219
233 HH21 ARG 31 1HH2 ARG 31 10.322 -16.725 -4.336
234 HH22 ARG 31 2HH2 ARG 31 11.331 -15.516 -3.617
235 H MET 32 HN MET 32 2.060 -13.571 -3.264
236 HA MET 32 HA MET 32 1.239 -15.754 -1.810
237 HB2 MET 32 2HB MET 32 -0.133 -13.106 -2.265
238 HB3 MET 32 3HB MET 32 -0.712 -14.292 -1.103
239 HG2 MET 32 2HG MET 32 2.049 -13.102 -1.058
240 HG3 MET 32 3HG MET 32 0.684 -12.475 -0.136
241 HE1 MET 32 1HE MET 32 0.519 -14.516 2.928
242 HE2 MET 32 2HE MET 32 0.414 -12.937 2.150
243 HE3 MET 32 3HE MET 32 -0.695 -14.226 1.681
244 H GLY 33 HN GLY 33 0.133 -14.725 -4.901
245 HA2 GLY 33 1HA GLY 33 -1.089 -16.142 -6.352
246 HA3 GLY 33 2HA GLY 33 -1.738 -16.978 -4.949
247 H TYR 34 HN TYR 34 -1.809 -13.613 -4.614
248 HA TYR 34 HA TYR 34 -4.659 -13.562 -4.609
249 HB2 TYR 34 2HB TYR 34 -2.473 -11.640 -4.058
250 HB3 TYR 34 3HB TYR 34 -4.012 -10.942 -4.550
251 HD1 TYR 34 1HD TYR 34 -2.179 -11.532 -1.779
252 HD2 TYR 34 2HD TYR 34 -6.051 -12.425 -3.300
253 HE1 TYR 34 1HE TYR 34 -3.018 -11.778 0.519
254 HE2 TYR 34 2HE TYR 34 -6.901 -12.673 -1.005
255 HH TYR 34 HH TYR 34 -4.983 -13.063 1.634
256 H ILE 35 HN ILE 35 -2.250 -12.996 -6.995
257 HA ILE 35 HA ILE 35 -4.277 -12.554 -9.001
258 HB ILE 35 HB ILE 35 -3.189 -10.507 -9.910
259 HG12 ILE 35 2HG1 ILE 35 -2.005 -9.374 -7.669
260 HG13 ILE 35 3HG1 ILE 35 -1.399 -11.027 -7.668
261 HG21 ILE 35 1HG2 ILE 35 -4.434 -9.037 -8.602
262 HG22 ILE 35 2HG2 ILE 35 -5.230 -10.590 -8.351
263 HG23 ILE 35 3HG2 ILE 35 -4.137 -9.952 -7.123
264 HD11 ILE 35 1HD1 ILE 35 -0.464 -8.865 -9.164
265 HD12 ILE 35 2HD1 ILE 35 0.025 -10.555 -9.288
266 HD13 ILE 35 3HD1 ILE 35 -1.268 -9.934 -10.313
267 H GLN 36 HN GLN 36 -3.105 -12.154 -11.212
268 HA GLN 36 HA GLN 36 -0.496 -13.410 -11.379
269 HB2 GLN 36 2HB GLN 36 -2.132 -14.740 -13.309
270 HB3 GLN 36 3HB GLN 36 -1.168 -15.438 -12.014
271 HG2 GLN 36 2HG GLN 36 -3.043 -15.120 -10.465
272 HG3 GLN 36 3HG GLN 36 -4.008 -14.470 -11.790
273 HE21 GLN 36 1HE2 GLN 36 -4.941 -16.589 -10.395
274 HE22 GLN 36 2HE2 GLN 36 -4.884 -18.019 -11.363
275 H GLY 37 HN GLY 37 0.614 -12.161 -12.721
276 HA2 GLY 37 1HA GLY 37 -0.199 -11.632 -15.376
277 HA3 GLY 37 2HA GLY 37 -0.472 -10.206 -14.386
278 H ASP 38 HN ASP 38 1.373 -10.578 -16.618
279 HA ASP 38 HA ASP 38 3.951 -10.254 -15.236
280 HB2 ASP 38 2HB ASP 38 4.390 -11.900 -16.779
281 HB3 ASP 38 3HB ASP 38 3.186 -11.304 -17.918
282 H SER 39 HN SER 39 3.063 -9.145 -18.462
283 HA SER 39 HA SER 39 2.895 -7.058 -19.377
284 HB2 SER 39 2HB SER 39 3.134 -5.780 -16.668
285 HB3 SER 39 3HB SER 39 2.241 -5.223 -18.083
286 HG SER 39 HG SER 39 1.063 -7.386 -17.630
287 H ALA 40 HN ALA 40 4.165 -4.681 -18.726
288 HA ALA 40 HA ALA 40 6.804 -4.866 -17.853
289 HB1 ALA 40 1HB ALA 40 7.709 -6.107 -19.489
290 HB2 ALA 40 2HB ALA 40 6.368 -5.809 -20.596
291 HB3 ALA 40 3HB ALA 40 7.651 -4.611 -20.421
292 H ALA 41 HN ALA 41 8.017 -2.927 -18.210
293 HA ALA 41 HA ALA 41 7.549 -0.810 -19.819
294 HB1 ALA 41 1HB ALA 41 5.347 -1.113 -17.934
295 HB2 ALA 41 2HB ALA 41 6.076 0.493 -17.903
296 HB3 ALA 41 3HB ALA 41 5.449 -0.162 -19.416
297 H GLU 42 HN GLU 42 9.257 0.443 -19.477
298 HA GLU 42 HA GLU 42 10.022 1.165 -16.759
299 HB2 GLU 42 2HB GLU 42 12.489 0.668 -17.636
300 HB3 GLU 42 3HB GLU 42 11.529 -0.546 -16.801
301 HG2 GLU 42 2HG GLU 42 10.908 -1.568 -18.878
302 HG3 GLU 42 3HG GLU 42 11.690 -0.279 -19.792
303 H VAL 43 HN VAL 43 9.039 3.126 -17.808
304 HA VAL 43 HA VAL 43 10.908 4.517 -19.593
305 HB VAL 43 HB VAL 43 8.249 5.649 -18.816
306 HG11 VAL 43 1HG1 VAL 43 9.649 7.073 -20.120
307 HG12 VAL 43 2HG1 VAL 43 9.998 5.777 -21.267
308 HG13 VAL 43 3HG1 VAL 43 8.377 6.467 -21.181
309 HG21 VAL 43 1HG2 VAL 43 7.619 4.371 -21.103
310 HG22 VAL 43 2HG2 VAL 43 8.716 3.194 -20.381
311 HG23 VAL 43 3HG2 VAL 43 7.285 3.724 -19.497
312 H THR 44 HN THR 44 9.752 4.459 -16.357
313 HA THR 44 HA THR 44 11.654 6.413 -15.523
314 HB THR 44 HB THR 44 9.828 7.889 -16.386
315 HG1 THR 44 1HG THR 44 11.274 8.333 -14.475
316 HG21 THR 44 1HG2 THR 44 7.729 8.030 -15.256
317 HG22 THR 44 2HG2 THR 44 8.240 6.863 -14.036
318 HG23 THR 44 3HG2 THR 44 7.971 6.340 -15.699
319 H GLU 45 HN GLU 45 11.479 6.835 -13.134
320 HA GLU 45 HA GLU 45 10.027 4.743 -11.690
321 HB2 GLU 45 2HB GLU 45 12.107 4.322 -10.320
322 HB3 GLU 45 3HB GLU 45 12.145 3.709 -11.967
323 HG2 GLU 45 2HG GLU 45 13.409 5.753 -12.623
324 HG3 GLU 45 3HG GLU 45 13.491 6.185 -10.916
325 H MET 46 HN MET 46 9.072 5.504 -9.915
326 HA MET 46 HA MET 46 10.245 7.586 -8.317
327 HB2 MET 46 2HB MET 46 8.003 8.151 -10.190
328 HB3 MET 46 3HB MET 46 7.924 8.875 -8.589
329 HG2 MET 46 2HG MET 46 10.439 9.516 -9.229
330 HG3 MET 46 3HG MET 46 9.737 9.443 -10.844
331 HE1 MET 46 1HE MET 46 11.165 11.596 -9.652
332 HE2 MET 46 2HE MET 46 10.259 12.982 -10.260
333 HE3 MET 46 3HE MET 46 10.372 12.695 -8.523
334 H ALA 47 HN ALA 47 6.790 7.268 -8.554
335 HA ALA 47 HA ALA 47 6.119 5.134 -7.042
336 HB1 ALA 47 1HB ALA 47 7.396 7.213 -5.364
337 HB2 ALA 47 2HB ALA 47 5.954 6.429 -4.717
338 HB3 ALA 47 3HB ALA 47 7.358 5.461 -5.169
339 H HIS 48 HN HIS 48 5.670 8.545 -7.577
340 HA HIS 48 HA HIS 48 3.006 8.385 -8.285
341 HB2 HIS 48 2HB HIS 48 2.015 8.005 -6.288
342 HB3 HIS 48 3HB HIS 48 3.432 8.524 -5.379
343 HD1 HIS 48 1HD HIS 48 0.204 9.758 -6.770
344 HD2 HIS 48 2HD HIS 48 3.472 11.253 -4.686
345 HE1 HIS 48 1HE HIS 48 -0.504 12.026 -5.948
346 H THR 49 HN THR 49 2.187 10.355 -8.976
347 HA THR 49 HA THR 49 3.143 12.881 -8.207
348 HB THR 49 HB THR 49 4.137 12.691 -10.919
349 HG1 THR 49 1HG THR 49 5.304 10.943 -10.750
350 HG21 THR 49 1HG2 THR 49 4.564 14.232 -8.691
351 HG22 THR 49 2HG2 THR 49 5.558 14.250 -10.149
352 HG23 THR 49 3HG2 THR 49 6.035 13.262 -8.767
353 H GLU 50 HN GLU 50 2.533 11.548 -11.456
354 HA GLU 50 HA GLU 50 -0.176 12.246 -11.597
355 HB2 GLU 50 2HB GLU 50 1.299 14.523 -11.582
356 HB3 GLU 50 3HB GLU 50 1.243 14.190 -13.308
357 HG2 GLU 50 2HG GLU 50 -1.236 14.040 -13.129
358 HG3 GLU 50 3HG GLU 50 -1.094 14.572 -11.454
359 H THR 51 HN THR 51 -1.014 11.112 -13.222
360 HA THR 51 HA THR 51 -1.117 9.687 -15.003
361 HB THR 51 HB THR 51 0.493 10.828 -16.952
362 HG1 THR 51 1HG THR 51 -0.377 12.776 -15.078
363 HG21 THR 51 1HG2 THR 51 -1.560 10.575 -17.812
364 HG22 THR 51 2HG2 THR 51 -1.908 12.175 -17.159
365 HG23 THR 51 3HG2 THR 51 -2.328 10.734 -16.233
366 H GLY 52 HN GLY 52 -0.023 7.897 -14.173
367 HA2 GLY 52 1HA GLY 52 2.232 7.029 -15.612
368 HA3 GLY 52 2HA GLY 52 2.762 7.599 -14.037
369 H TRP 53 HN TRP 53 2.688 6.221 -12.379
370 HA TRP 53 HA TRP 53 1.632 3.561 -12.854
371 HB2 TRP 53 2HB TRP 53 3.764 4.641 -11.338
372 HB3 TRP 53 3HB TRP 53 2.651 3.899 -10.192
373 HD1 TRP 53 1HD TRP 53 2.865 1.356 -9.888
374 HE1 TRP 53 1HE TRP 53 4.093 -0.538 -11.125
375 HE3 TRP 53 3HE TRP 53 4.548 3.987 -13.936
376 HZ2 TRP 53 2HZ TRP 53 5.580 -0.872 -13.501
377 HZ3 TRP 53 3HZ TRP 53 5.867 2.806 -15.645
378 HH2 TRP 53 2HH TRP 53 6.371 0.427 -15.430
379 H SER 54 HN SER 54 -0.574 3.653 -12.725
380 HA SER 54 HA SER 54 -1.681 4.424 -10.105
381 HB2 SER 54 2HB SER 54 -3.743 4.615 -12.030
382 HB3 SER 54 3HB SER 54 -2.983 5.929 -11.134
383 HG SER 54 HG SER 54 -2.852 6.176 -13.432
384 H CYS 55 HN CYS 55 -2.471 2.734 -9.061
385 HA CYS 55 HA CYS 55 -2.756 0.175 -10.139
386 HB2 CYS 55 2HB CYS 55 -3.881 -0.406 -8.048
387 HB3 CYS 55 3HB CYS 55 -2.483 0.617 -7.731
388 H HIS 56 HN HIS 56 -4.651 -1.103 -10.503
389 HA HIS 56 HA HIS 56 -6.456 -0.160 -12.292
390 HB2 HIS 56 2HB HIS 56 -6.759 -2.353 -10.248
391 HB3 HIS 56 3HB HIS 56 -7.995 -2.029 -11.459
392 HD1 HIS 56 1HD HIS 56 -4.800 -3.746 -10.953
393 HD2 HIS 56 2HD HIS 56 -7.087 -2.461 -14.175
394 HE1 HIS 56 1HE HIS 56 -3.887 -4.965 -12.955
395 H TYR 57 HN TYR 57 -6.780 -0.090 -8.775
396 HA TYR 57 HA TYR 57 -9.419 0.780 -8.593
397 HB2 TYR 57 2HB TYR 57 -7.099 1.465 -6.777
398 HB3 TYR 57 3HB TYR 57 -8.801 1.644 -6.370
399 HD1 TYR 57 1HD TYR 57 -10.214 -0.604 -6.712
400 HD2 TYR 57 2HD TYR 57 -6.020 -0.424 -6.016
401 HE1 TYR 57 1HE TYR 57 -10.261 -2.914 -5.871
402 HE2 TYR 57 2HE TYR 57 -6.054 -2.734 -5.176
403 HH TYR 57 HH TYR 57 -9.032 -4.431 -4.588
404 H CYS 58 HN CYS 58 -6.467 2.781 -8.477
405 HA CYS 58 HA CYS 58 -7.982 5.207 -8.800
406 HB2 CYS 58 2HB CYS 58 -5.765 6.307 -8.817
407 HB3 CYS 58 3HB CYS 58 -5.970 5.235 -7.435
408 H ASP 59 HN ASP 59 -7.278 2.861 -10.915
409 HA ASP 59 HA ASP 59 -6.328 4.423 -13.138
410 HB2 ASP 59 2HB ASP 59 -6.098 1.835 -12.643
411 HB3 ASP 59 3HB ASP 59 -7.631 1.760 -13.507
412 H ASN 60 HN ASN 60 -7.821 3.644 -15.266
413 HA ASN 60 HA ASN 60 -10.582 4.445 -14.708
414 HB2 ASN 60 2HB ASN 60 -8.854 5.769 -16.811
415 HB3 ASN 60 3HB ASN 60 -10.558 6.098 -16.514
416 HD21 ASN 60 1HD2 ASN 60 -10.528 8.142 -15.832
417 HD22 ASN 60 2HD2 ASN 60 -9.637 8.719 -14.469
Start of MODEL 19
1 H1 GLU 1 HN GLU 1 1.724 4.499 6.084
2 HA GLU 1 HA GLU 1 0.217 3.208 3.906
3 HB2 GLU 1 2HB GLU 1 2.422 5.263 3.816
4 HB3 GLU 1 3HB GLU 1 1.950 4.322 2.408
5 HG2 GLU 1 2HG GLU 1 0.839 6.404 2.265
6 HG3 GLU 1 3HG GLU 1 -0.371 5.199 2.704
7 H MET 2 HN MET 2 0.938 1.239 5.172
8 HA MET 2 HA MET 2 3.609 0.418 4.236
9 HB2 MET 2 2HB MET 2 2.456 -0.931 6.614
10 HB3 MET 2 3HB MET 2 4.131 -0.549 6.239
11 HG2 MET 2 2HG MET 2 2.080 1.476 7.097
12 HG3 MET 2 3HG MET 2 3.215 0.680 8.184
13 HE1 MET 2 1HE MET 2 6.393 2.531 7.894
14 HE2 MET 2 2HE MET 2 5.065 2.356 9.042
15 HE3 MET 2 3HE MET 2 5.687 0.942 8.190
16 H CYS 3 HN CYS 3 3.686 -1.370 3.023
17 HA CYS 3 HA CYS 3 1.575 -2.528 1.786
18 HB2 CYS 3 2HB CYS 3 3.910 -2.962 1.166
19 HB3 CYS 3 3HB CYS 3 4.116 -3.947 2.610
20 H ASP 4 HN ASP 4 -0.205 -3.399 2.603
21 HA ASP 4 HA ASP 4 -0.506 -4.394 5.194
22 HB2 ASP 4 2HB ASP 4 -2.270 -3.695 3.370
23 HB3 ASP 4 3HB ASP 4 -2.241 -5.413 2.978
24 H VAL 5 HN VAL 5 1.066 -5.783 2.567
25 HA VAL 5 HA VAL 5 0.655 -8.523 3.533
26 HB VAL 5 HB VAL 5 2.055 -7.561 1.033
27 HG11 VAL 5 1HG1 VAL 5 1.790 -10.001 0.391
28 HG12 VAL 5 2HG1 VAL 5 3.008 -9.640 1.616
29 HG13 VAL 5 3HG1 VAL 5 1.446 -10.309 2.093
30 HG21 VAL 5 1HG2 VAL 5 -0.031 -8.805 0.043
31 HG22 VAL 5 2HG2 VAL 5 -0.743 -8.419 1.609
32 HG23 VAL 5 3HG2 VAL 5 -0.153 -7.124 0.566
33 H CYS 6 HN CYS 6 2.824 -5.949 3.784
34 HA CYS 6 HA CYS 6 4.855 -7.740 4.919
35 HB2 CYS 6 2HB CYS 6 5.430 -5.385 3.107
36 HB3 CYS 6 3HB CYS 6 6.643 -6.338 3.955
37 H GLU 7 HN GLU 7 4.122 -4.271 4.504
38 HA GLU 7 HA GLU 7 3.742 -2.660 6.105
39 HB2 GLU 7 2HB GLU 7 4.608 -4.496 8.307
40 HB3 GLU 7 3HB GLU 7 3.439 -3.184 8.350
41 HG2 GLU 7 2HG GLU 7 2.455 -5.085 6.524
42 HG3 GLU 7 3HG GLU 7 3.006 -5.973 7.945
43 H VAL 8 HN VAL 8 5.814 -2.175 4.815
44 HA VAL 8 HA VAL 8 7.775 -1.237 6.684
45 HB VAL 8 HB VAL 8 9.372 -2.590 4.759
46 HG11 VAL 8 1HG1 VAL 8 10.537 -3.366 6.641
47 HG12 VAL 8 2HG1 VAL 8 9.854 -1.819 7.145
48 HG13 VAL 8 3HG1 VAL 8 9.096 -3.327 7.657
49 HG21 VAL 8 1HG2 VAL 8 7.347 -4.087 4.615
50 HG22 VAL 8 2HG2 VAL 8 8.853 -4.883 5.073
51 HG23 VAL 8 3HG2 VAL 8 7.643 -4.512 6.301
52 H TRP 9 HN TRP 9 7.778 0.800 5.960
53 HA TRP 9 HA TRP 9 8.048 1.260 3.066
54 HB2 TRP 9 2HB TRP 9 6.191 2.491 3.625
55 HB3 TRP 9 3HB TRP 9 6.743 2.778 5.272
56 HD1 TRP 9 1HD TRP 9 8.109 4.972 5.736
57 HE1 TRP 9 1HE TRP 9 8.673 7.041 4.311
58 HE3 TRP 9 3HE TRP 9 6.745 3.190 1.142
59 HZ2 TRP 9 2HZ TRP 9 8.556 7.814 1.599
60 HZ3 TRP 9 3HZ TRP 9 7.003 4.659 -0.816
61 HH2 TRP 9 2HH TRP 9 7.890 6.923 -0.590
62 H THR 10 HN THR 10 9.387 3.140 2.430
63 HA THR 10 HA THR 10 11.462 3.944 4.292
64 HB THR 10 HB THR 10 12.720 3.062 1.822
65 HG1 THR 10 1HG THR 10 12.491 0.847 2.188
66 HG21 THR 10 1HG2 THR 10 14.199 1.900 3.528
67 HG22 THR 10 2HG2 THR 10 13.169 2.620 4.766
68 HG23 THR 10 3HG2 THR 10 14.081 3.653 3.667
69 H ALA 11 HN ALA 11 11.146 3.839 0.742
70 HA ALA 11 HA ALA 11 10.238 6.341 0.200
71 HB1 ALA 11 1HB ALA 11 12.714 7.328 -0.286
72 HB2 ALA 11 2HB ALA 11 11.761 7.690 1.154
73 HB3 ALA 11 3HB ALA 11 12.994 6.431 1.207
74 H GLU 12 HN GLU 12 12.516 3.834 -0.579
75 HA GLU 12 HA GLU 12 13.406 4.261 -3.061
76 HB2 GLU 12 2HB GLU 12 12.547 1.757 -3.488
77 HB3 GLU 12 3HB GLU 12 13.920 2.133 -2.457
78 HG2 GLU 12 2HG GLU 12 12.791 1.658 -0.534
79 HG3 GLU 12 3HG GLU 12 11.220 2.065 -1.224
80 H SER 13 HN SER 13 10.414 2.375 -2.926
81 HA SER 13 HA SER 13 8.779 4.152 -4.352
82 HB2 SER 13 2HB SER 13 10.494 3.675 -6.137
83 HB3 SER 13 3HB SER 13 9.957 1.995 -6.116
84 HG SER 13 HG SER 13 7.764 3.106 -6.428
85 H LEU 14 HN LEU 14 7.085 3.464 -3.157
86 HA LEU 14 HA LEU 14 6.539 0.657 -2.778
87 HB2 LEU 14 2HB LEU 14 6.104 2.560 -1.120
88 HB3 LEU 14 3HB LEU 14 4.688 2.921 -2.104
89 HG LEU 14 HG LEU 14 3.795 0.687 -1.627
90 HD11 LEU 14 1HD1 LEU 14 6.477 0.302 -0.551
91 HD12 LEU 14 2HD1 LEU 14 5.294 -0.882 -1.104
92 HD13 LEU 14 3HD1 LEU 14 5.197 -0.240 0.535
93 HD21 LEU 14 1HD2 LEU 14 3.373 1.041 0.801
94 HD22 LEU 14 2HD2 LEU 14 3.091 2.471 -0.193
95 HD23 LEU 14 3HD2 LEU 14 4.564 2.343 0.771
96 H PHE 15 HN PHE 15 4.382 -0.253 -3.271
97 HA PHE 15 HA PHE 15 3.093 0.929 -5.619
98 HB2 PHE 15 2HB PHE 15 3.469 -2.007 -5.721
99 HB3 PHE 15 3HB PHE 15 3.472 -0.825 -7.025
100 HD1 PHE 15 1HD PHE 15 5.532 -1.841 -4.088
101 HD2 PHE 15 2HD PHE 15 5.458 -0.372 -8.082
102 HE1 PHE 15 1HE PHE 15 7.990 -1.943 -4.167
103 HE2 PHE 15 2HE PHE 15 7.915 -0.472 -8.167
104 HZ PHE 15 HZ PHE 15 9.184 -1.260 -6.209
105 HA PRO 16 HA PRO 16 1.566 -0.098 -7.129
106 HB2 PRO 16 2HB PRO 16 -0.866 1.041 -7.523
107 HB3 PRO 16 3HB PRO 16 -0.608 -0.707 -7.558
108 HG2 PRO 16 2HG PRO 16 -1.663 1.007 -5.342
109 HG3 PRO 16 3HG PRO 16 -2.239 -0.572 -5.907
110 HD2 PRO 16 2HD PRO 16 -0.683 -0.289 -3.709
111 HD3 PRO 16 3HD PRO 16 -0.605 -1.720 -4.756
112 H CYS 17 HN CYS 17 -0.175 2.129 -4.945
113 HA CYS 17 HA CYS 17 1.385 4.344 -6.095
114 HB2 CYS 17 2HB CYS 17 -1.294 4.374 -4.689
115 HB3 CYS 17 3HB CYS 17 -0.428 5.812 -5.220
116 H ARG 18 HN ARG 18 1.951 6.105 -4.591
117 HA ARG 18 HA ARG 18 3.410 5.172 -2.398
118 HB2 ARG 18 2HB ARG 18 4.122 7.334 -2.136
119 HB3 ARG 18 3HB ARG 18 3.501 7.430 -3.778
120 HG2 ARG 18 2HG ARG 18 2.008 8.248 -1.295
121 HG3 ARG 18 3HG ARG 18 2.815 9.341 -2.422
122 HD2 ARG 18 2HD ARG 18 0.988 7.513 -3.752
123 HD3 ARG 18 3HD ARG 18 0.181 8.507 -2.539
124 HE ARG 18 HE ARG 18 1.149 9.365 -5.066
125 HH11 ARG 18 1HH1 ARG 18 0.762 10.389 -1.761
126 HH12 ARG 18 2HH1 ARG 18 0.671 12.074 -2.157
127 HH21 ARG 18 1HH2 ARG 18 1.031 11.580 -5.599
128 HH22 ARG 18 2HH2 ARG 18 0.824 12.750 -4.340
129 H VAL 19 HN VAL 19 0.112 6.225 -2.667
130 HA VAL 19 HA VAL 19 -0.283 5.592 0.169
131 HB VAL 19 HB VAL 19 -1.260 8.077 -1.228
132 HG11 VAL 19 1HG1 VAL 19 -3.166 7.871 -0.089
133 HG12 VAL 19 2HG1 VAL 19 -2.545 6.518 0.859
134 HG13 VAL 19 3HG1 VAL 19 -2.214 8.175 1.364
135 HG21 VAL 19 1HG2 VAL 19 0.280 9.155 -0.033
136 HG22 VAL 19 2HG2 VAL 19 -0.218 8.355 1.457
137 HG23 VAL 19 3HG2 VAL 19 0.949 7.579 0.386
138 H CYS 20 HN CYS 20 -2.733 7.044 -1.828
139 HA CYS 20 HA CYS 20 -4.812 6.286 -2.401
140 HB2 CYS 20 2HB CYS 20 -3.024 4.082 -3.435
141 HB3 CYS 20 3HB CYS 20 -4.740 4.191 -3.817
142 H THR 21 HN THR 21 -6.098 3.948 -2.513
143 HA THR 21 HA THR 21 -6.679 3.376 0.184
144 HB THR 21 HB THR 21 -7.654 1.214 -1.307
145 HG1 THR 21 1HG THR 21 -8.641 2.486 -3.078
146 HG21 THR 21 1HG2 THR 21 -8.693 2.883 0.432
147 HG22 THR 21 2HG2 THR 21 -9.723 2.066 -0.744
148 HG23 THR 21 3HG2 THR 21 -9.228 3.735 -1.017
149 H ARG 22 HN ARG 22 -4.666 2.765 1.115
150 HA ARG 22 HA ARG 22 -3.221 1.232 1.977
151 HB2 ARG 22 2HB ARG 22 -5.472 -0.318 1.085
152 HB3 ARG 22 3HB ARG 22 -3.988 -1.220 0.806
153 HG2 ARG 22 2HG ARG 22 -3.372 -0.916 3.158
154 HG3 ARG 22 3HG ARG 22 -4.882 -0.043 3.430
155 HD2 ARG 22 2HD ARG 22 -5.241 -2.642 2.145
156 HD3 ARG 22 3HD ARG 22 -4.514 -2.742 3.748
157 HE ARG 22 HE ARG 22 -7.214 -2.257 3.199
158 HH11 ARG 22 1HH1 ARG 22 -4.653 -1.030 5.213
159 HH12 ARG 22 2HH1 ARG 22 -5.720 -0.491 6.467
160 HH21 ARG 22 1HH2 ARG 22 -8.630 -1.551 4.843
161 HH22 ARG 22 2HH2 ARG 22 -7.982 -0.789 6.256
162 H VAL 23 HN VAL 23 -1.496 -0.336 1.333
163 HA VAL 23 HA VAL 23 -0.729 0.065 -1.487
164 HB VAL 23 HB VAL 23 1.626 0.058 -0.758
165 HG11 VAL 23 1HG1 VAL 23 1.061 2.232 -1.031
166 HG12 VAL 23 2HG1 VAL 23 -0.325 2.122 0.055
167 HG13 VAL 23 3HG1 VAL 23 1.304 2.275 0.715
168 HG21 VAL 23 1HG2 VAL 23 2.199 -0.654 1.265
169 HG22 VAL 23 2HG2 VAL 23 1.316 0.687 1.995
170 HG23 VAL 23 3HG2 VAL 23 0.497 -0.844 1.685
171 H PHE 24 HN PHE 24 0.240 -1.635 -2.569
172 HA PHE 24 HA PHE 24 0.647 -4.150 -1.148
173 HB2 PHE 24 2HB PHE 24 -0.671 -4.860 -3.546
174 HB3 PHE 24 3HB PHE 24 -1.236 -5.093 -1.895
175 HD1 PHE 24 1HD PHE 24 -1.905 -3.562 -4.992
176 HD2 PHE 24 2HD PHE 24 -2.392 -3.031 -0.797
177 HE1 PHE 24 1HE PHE 24 -3.749 -1.988 -5.409
178 HE2 PHE 24 2HE PHE 24 -4.238 -1.458 -1.208
179 HZ PHE 24 HZ PHE 24 -4.919 -0.934 -3.515
180 H HIS 25 HN HIS 25 2.661 -4.682 -1.653
181 HA HIS 25 HA HIS 25 4.194 -3.702 -3.724
182 HB2 HIS 25 2HB HIS 25 4.416 -6.360 -2.300
183 HB3 HIS 25 3HB HIS 25 5.664 -5.693 -3.348
184 HD2 HIS 25 2HD HIS 25 4.337 -2.822 -1.351
185 HE1 HIS 25 1HE HIS 25 7.518 -4.423 0.956
186 HE2 HIS 25 2HE HIS 25 5.888 -2.518 0.696
187 H ASP 26 HN ASP 26 4.779 -4.430 -5.764
188 HA ASP 26 HA ASP 26 2.752 -5.618 -7.312
189 HB2 ASP 26 2HB ASP 26 4.159 -4.210 -8.521
190 HB3 ASP 26 3HB ASP 26 5.619 -4.899 -7.815
191 H GLY 27 HN GLY 27 5.389 -6.961 -5.517
192 HA2 GLY 27 1HA GLY 27 5.209 -9.533 -6.884
193 HA3 GLY 27 2HA GLY 27 6.347 -9.106 -5.615
194 H CYS 28 HN CYS 28 4.075 -8.005 -3.983
195 HA CYS 28 HA CYS 28 3.511 -10.419 -2.556
196 HB2 CYS 28 2HB CYS 28 2.780 -7.529 -2.197
197 HB3 CYS 28 3HB CYS 28 1.993 -8.768 -1.225
198 H LEU 29 HN LEU 29 1.677 -8.261 -4.654
199 HA LEU 29 HA LEU 29 -0.867 -9.380 -4.219
200 HB2 LEU 29 2HB LEU 29 0.309 -7.922 -6.574
201 HB3 LEU 29 3HB LEU 29 -1.384 -8.407 -6.489
202 HG LEU 29 HG LEU 29 -0.070 -6.571 -4.491
203 HD11 LEU 29 1HD1 LEU 29 -0.291 -4.861 -5.883
204 HD12 LEU 29 2HD1 LEU 29 -1.966 -5.294 -6.226
205 HD13 LEU 29 3HD1 LEU 29 -0.659 -6.010 -7.170
206 HD21 LEU 29 1HD2 LEU 29 -2.968 -7.143 -5.103
207 HD22 LEU 29 2HD2 LEU 29 -2.359 -6.024 -3.883
208 HD23 LEU 29 3HD2 LEU 29 -2.073 -7.757 -3.713
209 H ARG 30 HN ARG 30 1.751 -10.245 -6.401
210 HA ARG 30 HA ARG 30 0.183 -12.249 -7.765
211 HB2 ARG 30 2HB ARG 30 1.741 -11.864 -9.317
212 HB3 ARG 30 3HB ARG 30 2.695 -10.924 -8.177
213 HG2 ARG 30 2HG ARG 30 3.731 -12.998 -7.361
214 HG3 ARG 30 3HG ARG 30 2.807 -13.908 -8.558
215 HD2 ARG 30 2HD ARG 30 4.429 -13.542 -10.030
216 HD3 ARG 30 3HD ARG 30 4.069 -11.817 -9.950
217 HE ARG 30 HE ARG 30 6.027 -11.541 -8.825
218 HH11 ARG 30 1HH1 ARG 30 4.983 -14.838 -8.415
219 HH12 ARG 30 2HH1 ARG 30 6.397 -15.312 -7.531
220 HH21 ARG 30 1HH2 ARG 30 7.892 -12.153 -7.663
221 HH22 ARG 30 2HH2 ARG 30 8.049 -13.784 -7.103
222 H ARG 31 HN ARG 31 2.236 -12.075 -4.999
223 HA ARG 31 HA ARG 31 2.931 -14.841 -4.885
224 HB2 ARG 31 2HB ARG 31 4.401 -13.537 -3.664
225 HB3 ARG 31 3HB ARG 31 3.122 -12.517 -3.018
226 HG2 ARG 31 2HG ARG 31 2.622 -13.975 -1.324
227 HG3 ARG 31 3HG ARG 31 3.220 -15.379 -2.211
228 HD2 ARG 31 2HD ARG 31 5.045 -15.215 -0.934
229 HD3 ARG 31 3HD ARG 31 5.468 -13.823 -1.929
230 HE ARG 31 HE ARG 31 3.831 -12.839 0.043
231 HH11 ARG 31 1HH1 ARG 31 6.851 -14.565 -0.083
232 HH12 ARG 31 2HH1 ARG 31 7.457 -13.873 1.386
233 HH21 ARG 31 1HH2 ARG 31 4.618 -11.920 1.977
234 HH22 ARG 31 2HH2 ARG 31 6.186 -12.370 2.556
235 H MET 32 HN MET 32 0.555 -12.845 -3.140
236 HA MET 32 HA MET 32 -0.591 -15.064 -1.761
237 HB2 MET 32 2HB MET 32 -1.886 -12.382 -2.247
238 HB3 MET 32 3HB MET 32 -2.216 -13.513 -0.941
239 HG2 MET 32 2HG MET 32 0.478 -12.249 -1.285
240 HG3 MET 32 3HG MET 32 -0.825 -11.446 -0.411
241 HE1 MET 32 1HE MET 32 -2.127 -12.382 1.261
242 HE2 MET 32 2HE MET 32 -1.875 -13.892 2.137
243 HE3 MET 32 3HE MET 32 -1.080 -12.414 2.682
244 H GLY 33 HN GLY 33 -1.061 -13.631 -4.870
245 HA2 GLY 33 1HA GLY 33 -2.157 -14.865 -6.606
246 HA3 GLY 33 2HA GLY 33 -3.204 -15.578 -5.388
247 H TYR 34 HN TYR 34 -3.072 -12.480 -4.483
248 HA TYR 34 HA TYR 34 -5.628 -11.759 -4.889
249 HB2 TYR 34 2HB TYR 34 -3.116 -10.164 -4.741
250 HB3 TYR 34 3HB TYR 34 -4.593 -9.326 -5.198
251 HD1 TYR 34 1HD TYR 34 -6.679 -10.222 -3.594
252 HD2 TYR 34 2HD TYR 34 -2.574 -9.908 -2.523
253 HE1 TYR 34 1HE TYR 34 -7.316 -10.046 -1.225
254 HE2 TYR 34 2HE TYR 34 -3.200 -9.731 -0.151
255 HH TYR 34 HH TYR 34 -4.915 -9.417 1.281
256 H ILE 35 HN ILE 35 -3.076 -11.640 -7.290
257 HA ILE 35 HA ILE 35 -5.100 -11.262 -9.364
258 HB ILE 35 HB ILE 35 -3.534 -9.663 -10.554
259 HG12 ILE 35 2HG1 ILE 35 -2.346 -8.391 -8.385
260 HG13 ILE 35 3HG1 ILE 35 -2.058 -10.101 -8.083
261 HG21 ILE 35 1HG2 ILE 35 -5.601 -8.883 -9.617
262 HG22 ILE 35 2HG2 ILE 35 -4.892 -8.810 -8.004
263 HG23 ILE 35 3HG2 ILE 35 -4.342 -7.702 -9.259
264 HD11 ILE 35 1HD1 ILE 35 -0.216 -9.136 -9.303
265 HD12 ILE 35 2HD1 ILE 35 -1.063 -10.304 -10.316
266 HD13 ILE 35 3HD1 ILE 35 -1.311 -8.575 -10.566
267 H GLN 36 HN GLN 36 -4.001 -11.486 -11.602
268 HA GLN 36 HA GLN 36 -2.015 -13.657 -11.436
269 HB2 GLN 36 2HB GLN 36 -4.535 -13.399 -12.955
270 HB3 GLN 36 3HB GLN 36 -3.177 -14.064 -13.852
271 HG2 GLN 36 2HG GLN 36 -3.398 -16.029 -12.864
272 HG3 GLN 36 3HG GLN 36 -3.364 -15.292 -11.262
273 HE21 GLN 36 1HE2 GLN 36 -5.129 -17.209 -13.180
274 HE22 GLN 36 2HE2 GLN 36 -6.714 -16.887 -12.572
275 H GLY 37 HN GLY 37 -0.168 -13.426 -12.541
276 HA2 GLY 37 1HA GLY 37 0.885 -12.713 -14.660
277 HA3 GLY 37 2HA GLY 37 -0.021 -11.216 -14.498
278 H ASP 38 HN ASP 38 2.898 -11.753 -14.704
279 HA ASP 38 HA ASP 38 3.686 -10.139 -12.390
280 HB2 ASP 38 2HB ASP 38 5.543 -11.483 -11.836
281 HB3 ASP 38 3HB ASP 38 4.219 -12.623 -12.058
282 H SER 39 HN SER 39 5.850 -9.128 -12.701
283 HA SER 39 HA SER 39 6.742 -8.900 -15.461
284 HB2 SER 39 2HB SER 39 6.424 -6.252 -14.252
285 HB3 SER 39 3HB SER 39 6.006 -6.808 -15.873
286 HG SER 39 HG SER 39 4.127 -7.792 -14.889
287 H ALA 40 HN ALA 40 8.526 -6.980 -15.408
288 HA ALA 40 HA ALA 40 10.330 -7.720 -13.205
289 HB1 ALA 40 1HB ALA 40 11.056 -6.658 -15.931
290 HB2 ALA 40 2HB ALA 40 12.173 -7.219 -14.687
291 HB3 ALA 40 3HB ALA 40 11.075 -8.359 -15.466
292 H ALA 41 HN ALA 41 8.402 -5.237 -14.271
293 HA ALA 41 HA ALA 41 8.320 -2.976 -13.929
294 HB1 ALA 41 1HB ALA 41 8.693 -2.303 -11.664
295 HB2 ALA 41 2HB ALA 41 8.035 -3.940 -11.649
296 HB3 ALA 41 3HB ALA 41 9.757 -3.680 -11.377
297 H GLU 42 HN GLU 42 9.620 -2.079 -15.489
298 HA GLU 42 HA GLU 42 12.217 -1.116 -14.556
299 HB2 GLU 42 2HB GLU 42 11.756 -2.907 -16.886
300 HB3 GLU 42 3HB GLU 42 12.923 -1.609 -17.084
301 HG2 GLU 42 2HG GLU 42 13.883 -2.513 -14.835
302 HG3 GLU 42 3HG GLU 42 13.014 -3.979 -15.283
303 H VAL 43 HN VAL 43 10.502 0.681 -14.407
304 HA VAL 43 HA VAL 43 10.346 2.105 -16.983
305 HB VAL 43 HB VAL 43 8.648 3.288 -15.000
306 HG11 VAL 43 1HG1 VAL 43 8.337 2.020 -17.690
307 HG12 VAL 43 2HG1 VAL 43 6.911 2.487 -16.759
308 HG13 VAL 43 3HG1 VAL 43 8.109 3.701 -17.210
309 HG21 VAL 43 1HG2 VAL 43 7.033 1.295 -14.926
310 HG22 VAL 43 2HG2 VAL 43 8.445 0.309 -15.306
311 HG23 VAL 43 3HG2 VAL 43 8.416 1.276 -13.832
312 H THR 44 HN THR 44 10.315 2.948 -13.516
313 HA THR 44 HA THR 44 12.693 4.495 -13.662
314 HB THR 44 HB THR 44 11.086 5.991 -14.889
315 HG1 THR 44 1HG THR 44 12.159 7.642 -14.063
316 HG21 THR 44 1HG2 THR 44 9.455 7.240 -13.509
317 HG22 THR 44 2HG2 THR 44 9.797 6.153 -12.163
318 HG23 THR 44 3HG2 THR 44 9.062 5.526 -13.639
319 H GLU 45 HN GLU 45 9.640 3.873 -12.013
320 HA GLU 45 HA GLU 45 9.171 3.449 -9.823
321 HB2 GLU 45 2HB GLU 45 12.113 3.595 -9.203
322 HB3 GLU 45 3HB GLU 45 10.864 2.683 -8.366
323 HG2 GLU 45 2HG GLU 45 11.572 2.084 -11.211
324 HG3 GLU 45 3HG GLU 45 12.508 1.420 -9.872
325 H MET 46 HN MET 46 8.162 5.118 -8.919
326 HA MET 46 HA MET 46 9.637 7.070 -7.428
327 HB2 MET 46 2HB MET 46 8.211 7.863 -9.957
328 HB3 MET 46 3HB MET 46 8.458 9.006 -8.644
329 HG2 MET 46 2HG MET 46 10.957 8.168 -8.882
330 HG3 MET 46 3HG MET 46 10.414 7.811 -10.520
331 HE1 MET 46 1HE MET 46 12.359 10.619 -8.754
332 HE2 MET 46 2HE MET 46 12.719 9.451 -10.025
333 HE3 MET 46 3HE MET 46 12.575 11.165 -10.418
334 H ALA 47 HN ALA 47 8.484 6.557 -5.631
335 HA ALA 47 HA ALA 47 5.678 6.143 -5.590
336 HB1 ALA 47 1HB ALA 47 7.850 6.008 -3.730
337 HB2 ALA 47 2HB ALA 47 6.503 6.889 -3.008
338 HB3 ALA 47 3HB ALA 47 6.255 5.261 -3.639
339 H HIS 48 HN HIS 48 7.341 8.652 -3.707
340 HA HIS 48 HA HIS 48 5.074 10.346 -3.663
341 HB2 HIS 48 2HB HIS 48 7.925 10.589 -2.809
342 HB3 HIS 48 3HB HIS 48 6.955 12.055 -2.920
343 HD1 HIS 48 1HD HIS 48 4.439 11.585 -1.623
344 HD2 HIS 48 2HD HIS 48 7.853 9.619 -0.301
345 HE1 HIS 48 1HE HIS 48 3.938 10.880 0.739
346 H THR 49 HN THR 49 4.354 10.945 -5.657
347 HA THR 49 HA THR 49 5.727 13.071 -6.972
348 HB THR 49 HB THR 49 5.365 11.398 -9.182
349 HG1 THR 49 1HG THR 49 5.639 9.462 -8.356
350 HG21 THR 49 1HG2 THR 49 7.599 12.694 -7.757
351 HG22 THR 49 2HG2 THR 49 7.151 12.757 -9.462
352 HG23 THR 49 3HG2 THR 49 8.046 11.373 -8.835
353 H GLU 50 HN GLU 50 4.511 13.125 -9.401
354 HA GLU 50 HA GLU 50 1.792 13.730 -8.673
355 HB2 GLU 50 2HB GLU 50 2.855 13.828 -11.479
356 HB3 GLU 50 3HB GLU 50 1.626 14.837 -10.729
357 HG2 GLU 50 2HG GLU 50 4.049 15.192 -9.298
358 HG3 GLU 50 3HG GLU 50 4.395 15.341 -11.019
359 H THR 51 HN THR 51 0.626 13.181 -11.254
360 HA THR 51 HA THR 51 -0.411 10.606 -10.763
361 HB THR 51 HB THR 51 -0.650 11.621 -13.525
362 HG1 THR 51 1HG THR 51 -2.127 13.059 -11.642
363 HG21 THR 51 1HG2 THR 51 -2.304 10.327 -11.451
364 HG22 THR 51 2HG2 THR 51 -2.265 10.069 -13.196
365 HG23 THR 51 3HG2 THR 51 -3.151 11.438 -12.526
366 H GLY 52 HN GLY 52 0.804 8.822 -10.912
367 HA2 GLY 52 1HA GLY 52 2.116 8.275 -13.471
368 HA3 GLY 52 2HA GLY 52 3.105 8.203 -12.020
369 H TRP 53 HN TRP 53 2.184 6.764 -10.251
370 HA TRP 53 HA TRP 53 1.656 4.182 -11.431
371 HB2 TRP 53 2HB TRP 53 2.871 5.129 -9.048
372 HB3 TRP 53 3HB TRP 53 1.510 4.119 -8.570
373 HD1 TRP 53 1HD TRP 53 1.581 1.521 -9.363
374 HE1 TRP 53 1HE TRP 53 3.574 -0.007 -9.921
375 HE3 TRP 53 3HE TRP 53 5.176 5.092 -10.043
376 HZ2 TRP 53 2HZ TRP 53 6.310 0.264 -10.564
377 HZ3 TRP 53 3HZ TRP 53 7.455 4.374 -10.628
378 HH2 TRP 53 2HH TRP 53 8.009 2.010 -10.882
379 H SER 54 HN SER 54 -0.117 2.836 -10.949
380 HA SER 54 HA SER 54 -2.466 4.201 -9.816
381 HB2 SER 54 2HB SER 54 -3.642 2.589 -11.636
382 HB3 SER 54 3HB SER 54 -3.200 4.263 -11.972
383 HG SER 54 HG SER 54 -1.143 3.360 -12.725
384 H CYS 55 HN CYS 55 -3.986 2.875 -8.774
385 HA CYS 55 HA CYS 55 -2.847 0.510 -7.585
386 HB2 CYS 55 2HB CYS 55 -5.586 1.741 -7.216
387 HB3 CYS 55 3HB CYS 55 -4.875 0.487 -6.206
388 H HIS 56 HN HIS 56 -4.144 -1.509 -7.396
389 HA HIS 56 HA HIS 56 -4.638 -2.635 -9.897
390 HB2 HIS 56 2HB HIS 56 -4.106 -4.081 -8.075
391 HB3 HIS 56 3HB HIS 56 -5.471 -3.498 -7.127
392 HD1 HIS 56 1HD HIS 56 -4.706 -5.625 -10.151
393 HD2 HIS 56 2HD HIS 56 -7.832 -4.845 -7.526
394 HE1 HIS 56 1HE HIS 56 -6.472 -7.336 -10.681
395 H TYR 57 HN TYR 57 -6.596 -0.585 -8.039
396 HA TYR 57 HA TYR 57 -8.680 -0.603 -9.980
397 HB2 TYR 57 2HB TYR 57 -10.475 -1.517 -8.754
398 HB3 TYR 57 3HB TYR 57 -9.157 -2.664 -8.541
399 HD1 TYR 57 1HD TYR 57 -11.781 -1.527 -6.848
400 HD2 TYR 57 2HD TYR 57 -7.547 -1.549 -6.433
401 HE1 TYR 57 1HE TYR 57 -12.026 -1.343 -4.408
402 HE2 TYR 57 2HE TYR 57 -7.780 -1.367 -3.992
403 HH TYR 57 HH TYR 57 -10.485 -0.412 -2.470
404 H CYS 58 HN CYS 58 -6.919 1.303 -8.796
405 HA CYS 58 HA CYS 58 -7.822 2.874 -6.765
406 HB2 CYS 58 2HB CYS 58 -5.876 3.156 -8.599
407 HB3 CYS 58 3HB CYS 58 -7.019 4.346 -9.215
408 H ASP 59 HN ASP 59 -8.785 3.287 -10.176
409 HA ASP 59 HA ASP 59 -11.491 3.883 -9.437
410 HB2 ASP 59 2HB ASP 59 -11.609 6.158 -10.081
411 HB3 ASP 59 3HB ASP 59 -10.200 6.046 -9.029
412 H ASN 60 HN ASN 60 -12.398 5.134 -11.682
413 HA ASN 60 HA ASN 60 -12.634 3.088 -13.533
414 HB2 ASN 60 2HB ASN 60 -14.295 4.689 -13.732
415 HB3 ASN 60 3HB ASN 60 -13.159 6.031 -13.623
416 HD21 ASN 60 1HD2 ASN 60 -12.111 6.742 -15.451
417 HD22 ASN 60 2HD2 ASN 60 -12.568 6.246 -17.042
Start of MODEL 20
1 H1 GLU 1 HN GLU 1 3.606 4.581 3.938
2 HA GLU 1 HA GLU 1 1.171 2.932 3.893
3 HB2 GLU 1 2HB GLU 1 1.587 2.739 1.374
4 HB3 GLU 1 3HB GLU 1 0.891 4.240 1.966
5 HG2 GLU 1 2HG GLU 1 3.401 4.998 2.047
6 HG3 GLU 1 3HG GLU 1 3.600 3.707 0.864
7 H MET 2 HN MET 2 1.950 1.126 4.842
8 HA MET 2 HA MET 2 4.405 -0.052 3.717
9 HB2 MET 2 2HB MET 2 3.365 -1.117 6.268
10 HB3 MET 2 3HB MET 2 5.019 -0.778 5.777
11 HG2 MET 2 2HG MET 2 4.602 1.623 6.134
12 HG3 MET 2 3HG MET 2 2.982 1.231 6.705
13 HE1 MET 2 1HE MET 2 6.699 -0.391 7.626
14 HE2 MET 2 2HE MET 2 6.647 1.320 7.202
15 HE3 MET 2 3HE MET 2 6.948 0.834 8.871
16 H CYS 3 HN CYS 3 4.218 -1.878 2.597
17 HA CYS 3 HA CYS 3 2.031 -3.019 1.602
18 HB2 CYS 3 2HB CYS 3 4.309 -3.773 1.062
19 HB3 CYS 3 3HB CYS 3 4.407 -4.595 2.615
20 H ASP 4 HN ASP 4 0.185 -3.674 2.462
21 HA ASP 4 HA ASP 4 -0.165 -4.298 5.189
22 HB2 ASP 4 2HB ASP 4 -1.873 -3.558 3.304
23 HB3 ASP 4 3HB ASP 4 -2.107 -5.298 3.152
24 H VAL 5 HN VAL 5 1.264 -6.094 2.797
25 HA VAL 5 HA VAL 5 0.491 -8.659 4.013
26 HB VAL 5 HB VAL 5 1.823 -8.115 1.356
27 HG11 VAL 5 1HG1 VAL 5 1.254 -10.612 1.050
28 HG12 VAL 5 2HG1 VAL 5 2.680 -10.180 1.997
29 HG13 VAL 5 3HG1 VAL 5 1.189 -10.654 2.812
30 HG21 VAL 5 1HG2 VAL 5 -0.369 -9.224 0.566
31 HG22 VAL 5 2HG2 VAL 5 -0.980 -8.797 2.164
32 HG23 VAL 5 3HG2 VAL 5 -0.412 -7.535 1.072
33 H CYS 6 HN CYS 6 2.805 -6.377 4.306
34 HA CYS 6 HA CYS 6 4.707 -8.294 5.400
35 HB2 CYS 6 2HB CYS 6 5.471 -6.216 3.339
36 HB3 CYS 6 3HB CYS 6 6.619 -7.154 4.288
37 H GLU 7 HN GLU 7 4.166 -4.831 4.752
38 HA GLU 7 HA GLU 7 3.988 -3.095 6.257
39 HB2 GLU 7 2HB GLU 7 5.063 -4.803 8.476
40 HB3 GLU 7 3HB GLU 7 3.963 -3.434 8.565
41 HG2 GLU 7 2HG GLU 7 2.703 -5.431 7.014
42 HG3 GLU 7 3HG GLU 7 3.360 -6.208 8.454
43 H VAL 8 HN VAL 8 5.901 -2.758 4.708
44 HA VAL 8 HA VAL 8 8.047 -1.652 6.208
45 HB VAL 8 HB VAL 8 9.667 -3.177 4.625
46 HG11 VAL 8 1HG1 VAL 8 9.083 -4.291 7.300
47 HG12 VAL 8 2HG1 VAL 8 10.617 -3.783 6.590
48 HG13 VAL 8 3HG1 VAL 8 9.499 -2.579 7.232
49 HG21 VAL 8 1HG2 VAL 8 7.806 -5.189 5.829
50 HG22 VAL 8 2HG2 VAL 8 7.512 -4.563 4.206
51 HG23 VAL 8 3HG2 VAL 8 9.020 -5.402 4.567
52 H TRP 9 HN TRP 9 7.566 0.210 5.074
53 HA TRP 9 HA TRP 9 7.339 0.325 2.248
54 HB2 TRP 9 2HB TRP 9 6.381 2.223 3.004
55 HB3 TRP 9 3HB TRP 9 7.338 2.222 4.484
56 HD1 TRP 9 1HD TRP 9 9.925 3.239 4.195
57 HE1 TRP 9 1HE TRP 9 10.716 5.208 2.740
58 HE3 TRP 9 3HE TRP 9 5.993 3.470 0.934
59 HZ2 TRP 9 2HZ TRP 9 9.795 6.668 0.505
60 HZ3 TRP 9 3HZ TRP 9 6.025 5.182 -0.832
61 HH2 TRP 9 2HH TRP 9 7.889 6.748 -1.040
62 H THR 10 HN THR 10 8.799 1.617 0.847
63 HA THR 10 HA THR 10 11.624 1.338 1.626
64 HB THR 10 HB THR 10 10.370 0.540 -1.002
65 HG1 THR 10 1HG THR 10 10.684 -1.413 -0.251
66 HG21 THR 10 1HG2 THR 10 13.154 1.324 -0.339
67 HG22 THR 10 2HG2 THR 10 12.271 1.460 -1.860
68 HG23 THR 10 3HG2 THR 10 12.937 -0.095 -1.362
69 H ALA 11 HN ALA 11 10.349 2.381 -1.479
70 HA ALA 11 HA ALA 11 10.070 5.058 -1.259
71 HB1 ALA 11 1HB ALA 11 12.004 5.854 -0.486
72 HB2 ALA 11 2HB ALA 11 12.841 4.328 -0.774
73 HB3 ALA 11 3HB ALA 11 12.664 5.499 -2.082
74 H GLU 12 HN GLU 12 12.187 2.883 -3.131
75 HA GLU 12 HA GLU 12 12.254 3.936 -5.576
76 HB2 GLU 12 2HB GLU 12 11.341 1.082 -5.265
77 HB3 GLU 12 3HB GLU 12 12.367 1.764 -6.519
78 HG2 GLU 12 2HG GLU 12 13.827 2.309 -4.304
79 HG3 GLU 12 3HG GLU 12 13.048 0.798 -3.838
80 H SER 13 HN SER 13 9.488 1.922 -4.559
81 HA SER 13 HA SER 13 7.467 3.599 -5.418
82 HB2 SER 13 2HB SER 13 8.809 2.250 -7.615
83 HB3 SER 13 3HB SER 13 7.096 1.835 -7.550
84 HG SER 13 HG SER 13 6.575 3.845 -8.015
85 H LEU 14 HN LEU 14 6.228 2.807 -3.811
86 HA LEU 14 HA LEU 14 5.773 -0.082 -3.657
87 HB2 LEU 14 2HB LEU 14 6.154 1.872 -1.718
88 HB3 LEU 14 3HB LEU 14 4.430 1.513 -1.646
89 HG LEU 14 HG LEU 14 6.633 -0.532 -1.382
90 HD11 LEU 14 1HD1 LEU 14 6.088 -0.575 0.975
91 HD12 LEU 14 2HD1 LEU 14 4.875 0.684 0.743
92 HD13 LEU 14 3HD1 LEU 14 6.583 1.049 0.498
93 HD21 LEU 14 1HD2 LEU 14 4.608 -1.494 -2.276
94 HD22 LEU 14 2HD2 LEU 14 3.644 -0.714 -1.022
95 HD23 LEU 14 3HD2 LEU 14 4.796 -1.980 -0.591
96 H PHE 15 HN PHE 15 3.782 -1.003 -3.914
97 HA PHE 15 HA PHE 15 1.827 0.551 -5.363
98 HB2 PHE 15 2HB PHE 15 1.994 -2.365 -4.603
99 HB3 PHE 15 3HB PHE 15 0.608 -1.680 -5.446
100 HD1 PHE 15 1HD PHE 15 4.316 -1.392 -5.784
101 HD2 PHE 15 2HD PHE 15 0.587 -2.195 -7.672
102 HE1 PHE 15 1HE PHE 15 5.475 -1.703 -7.933
103 HE2 PHE 15 2HE PHE 15 1.740 -2.510 -9.823
104 HZ PHE 15 HZ PHE 15 4.187 -2.265 -9.956
105 HA PRO 16 HA PRO 16 -0.428 -0.033 -5.881
106 HB2 PRO 16 2HB PRO 16 -2.321 1.912 -5.892
107 HB3 PRO 16 3HB PRO 16 -2.654 0.251 -5.389
108 HG2 PRO 16 2HG PRO 16 -2.108 2.666 -3.706
109 HG3 PRO 16 3HG PRO 16 -3.324 1.395 -3.479
110 HD2 PRO 16 2HD PRO 16 -0.993 1.445 -2.101
111 HD3 PRO 16 3HD PRO 16 -1.803 -0.069 -2.553
112 H CYS 17 HN CYS 17 -0.400 3.144 -4.245
113 HA CYS 17 HA CYS 17 1.861 4.095 -5.646
114 HB2 CYS 17 2HB CYS 17 0.953 5.531 -7.265
115 HB3 CYS 17 3HB CYS 17 0.022 4.047 -7.449
116 H ARG 18 HN ARG 18 0.808 6.862 -5.784
117 HA ARG 18 HA ARG 18 1.304 7.565 -3.044
118 HB2 ARG 18 2HB ARG 18 2.119 9.358 -4.097
119 HB3 ARG 18 3HB ARG 18 1.346 8.884 -5.603
120 HG2 ARG 18 2HG ARG 18 0.658 11.113 -4.910
121 HG3 ARG 18 3HG ARG 18 -0.708 9.994 -4.917
122 HD2 ARG 18 2HD ARG 18 -1.102 10.392 -2.767
123 HD3 ARG 18 3HD ARG 18 0.555 9.957 -2.347
124 HE ARG 18 HE ARG 18 0.577 12.545 -3.396
125 HH11 ARG 18 1HH1 ARG 18 -0.639 10.835 -0.618
126 HH12 ARG 18 2HH1 ARG 18 -0.560 12.213 0.428
127 HH21 ARG 18 1HH2 ARG 18 0.687 14.367 -2.028
128 HH22 ARG 18 2HH2 ARG 18 0.194 14.222 -0.375
129 H VAL 19 HN VAL 19 -1.425 8.082 -5.278
130 HA VAL 19 HA VAL 19 -3.149 9.095 -3.246
131 HB VAL 19 HB VAL 19 -4.874 9.113 -4.882
132 HG11 VAL 19 1HG1 VAL 19 -3.913 10.417 -6.593
133 HG12 VAL 19 2HG1 VAL 19 -2.869 10.646 -5.188
134 HG13 VAL 19 3HG1 VAL 19 -2.375 9.562 -6.489
135 HG21 VAL 19 1HG2 VAL 19 -5.172 7.380 -6.237
136 HG22 VAL 19 2HG2 VAL 19 -3.758 7.883 -7.163
137 HG23 VAL 19 3HG2 VAL 19 -3.578 6.748 -5.825
138 H CYS 20 HN CYS 20 -5.438 7.438 -4.358
139 HA CYS 20 HA CYS 20 -6.730 5.776 -3.456
140 HB2 CYS 20 2HB CYS 20 -5.315 3.511 -3.487
141 HB3 CYS 20 3HB CYS 20 -5.899 4.273 -4.963
142 H THR 21 HN THR 21 -6.337 3.608 -1.915
143 HA THR 21 HA THR 21 -5.139 4.688 0.554
144 HB THR 21 HB THR 21 -6.884 3.202 1.726
145 HG1 THR 21 1HG THR 21 -8.634 2.606 0.534
146 HG21 THR 21 1HG2 THR 21 -8.438 5.320 0.440
147 HG22 THR 21 2HG2 THR 21 -6.868 5.858 1.037
148 HG23 THR 21 3HG2 THR 21 -8.017 5.096 2.137
149 H ARG 22 HN ARG 22 -6.589 1.520 0.156
150 HA ARG 22 HA ARG 22 -4.977 -0.094 1.428
151 HB2 ARG 22 2HB ARG 22 -5.591 -0.766 -1.447
152 HB3 ARG 22 3HB ARG 22 -5.429 -1.873 -0.091
153 HG2 ARG 22 2HG ARG 22 -7.469 -0.128 0.648
154 HG3 ARG 22 3HG ARG 22 -7.754 -0.481 -1.058
155 HD2 ARG 22 2HD ARG 22 -7.679 -2.868 -0.593
156 HD3 ARG 22 3HD ARG 22 -7.325 -2.542 1.103
157 HE ARG 22 HE ARG 22 -9.702 -1.237 0.476
158 HH11 ARG 22 1HH1 ARG 22 -8.482 -4.492 0.678
159 HH12 ARG 22 2HH1 ARG 22 -10.018 -5.181 1.088
160 HH21 ARG 22 1HH2 ARG 22 -11.729 -2.133 1.017
161 HH22 ARG 22 2HH2 ARG 22 -11.864 -3.839 1.280
162 H VAL 23 HN VAL 23 -2.933 -0.882 1.443
163 HA VAL 23 HA VAL 23 -1.123 0.026 -0.700
164 HB VAL 23 HB VAL 23 0.316 0.924 0.752
165 HG11 VAL 23 1HG1 VAL 23 -1.710 0.491 2.929
166 HG12 VAL 23 2HG1 VAL 23 -0.606 1.850 2.707
167 HG13 VAL 23 3HG1 VAL 23 -1.973 1.636 1.614
168 HG21 VAL 23 1HG2 VAL 23 1.153 -1.233 1.433
169 HG22 VAL 23 2HG2 VAL 23 1.027 -0.189 2.848
170 HG23 VAL 23 3HG2 VAL 23 -0.186 -1.437 2.562
171 H PHE 24 HN PHE 24 0.144 -1.476 -1.620
172 HA PHE 24 HA PHE 24 0.676 -3.989 -0.251
173 HB2 PHE 24 2HB PHE 24 0.004 -4.847 -2.815
174 HB3 PHE 24 3HB PHE 24 -0.931 -5.104 -1.346
175 HD1 PHE 24 1HD PHE 24 -0.579 -3.052 -4.365
176 HD2 PHE 24 2HD PHE 24 -2.933 -3.868 -0.914
177 HE1 PHE 24 1HE PHE 24 -2.423 -1.727 -5.314
178 HE2 PHE 24 2HE PHE 24 -4.781 -2.545 -1.858
179 HZ PHE 24 HZ PHE 24 -4.527 -1.473 -4.060
180 H HIS 25 HN HIS 25 2.106 -5.415 -1.720
181 HA HIS 25 HA HIS 25 4.228 -3.695 -2.743
182 HB2 HIS 25 2HB HIS 25 4.073 -6.405 -1.595
183 HB3 HIS 25 3HB HIS 25 5.229 -6.224 -2.911
184 HD2 HIS 25 2HD HIS 25 5.984 -3.035 -1.802
185 HE1 HIS 25 1HE HIS 25 7.635 -5.300 1.382
186 HE2 HIS 25 2HE HIS 25 7.521 -3.040 0.278
187 H ASP 26 HN ASP 26 5.515 -4.846 -4.625
188 HA ASP 26 HA ASP 26 3.639 -5.014 -6.831
189 HB2 ASP 26 2HB ASP 26 5.373 -4.407 -8.194
190 HB3 ASP 26 3HB ASP 26 5.999 -3.778 -6.673
191 H GLY 27 HN GLY 27 5.825 -7.085 -5.052
192 HA2 GLY 27 1HA GLY 27 5.443 -9.280 -6.940
193 HA3 GLY 27 2HA GLY 27 6.505 -9.286 -5.540
194 H CYS 28 HN CYS 28 4.615 -8.433 -3.609
195 HA CYS 28 HA CYS 28 3.550 -10.851 -2.770
196 HB2 CYS 28 2HB CYS 28 2.938 -7.997 -2.064
197 HB3 CYS 28 3HB CYS 28 2.008 -9.310 -1.350
198 H LEU 29 HN LEU 29 1.733 -8.095 -4.127
199 HA LEU 29 HA LEU 29 -0.774 -9.060 -4.264
200 HB2 LEU 29 2HB LEU 29 0.650 -7.665 -6.526
201 HB3 LEU 29 3HB LEU 29 -1.097 -7.788 -6.337
202 HG LEU 29 HG LEU 29 0.624 -6.438 -4.277
203 HD11 LEU 29 1HD1 LEU 29 -0.807 -4.919 -6.416
204 HD12 LEU 29 2HD1 LEU 29 0.829 -5.516 -6.693
205 HD13 LEU 29 3HD1 LEU 29 0.510 -4.404 -5.362
206 HD21 LEU 29 1HD2 LEU 29 -2.184 -6.982 -4.628
207 HD22 LEU 29 2HD2 LEU 29 -1.888 -5.246 -4.519
208 HD23 LEU 29 3HD2 LEU 29 -1.333 -6.319 -3.232
209 H ARG 30 HN ARG 30 1.929 -10.134 -6.208
210 HA ARG 30 HA ARG 30 0.227 -11.862 -7.820
211 HB2 ARG 30 2HB ARG 30 3.207 -11.361 -7.852
212 HB3 ARG 30 3HB ARG 30 2.387 -12.481 -8.931
213 HG2 ARG 30 2HG ARG 30 1.244 -10.751 -10.035
214 HG3 ARG 30 3HG ARG 30 1.634 -9.581 -8.772
215 HD2 ARG 30 2HD ARG 30 4.074 -10.635 -9.749
216 HD3 ARG 30 3HD ARG 30 3.084 -10.208 -11.144
217 HE ARG 30 HE ARG 30 4.411 -8.413 -9.421
218 HH11 ARG 30 1HH1 ARG 30 1.405 -8.817 -11.130
219 HH12 ARG 30 2HH1 ARG 30 1.114 -7.116 -11.284
220 HH21 ARG 30 1HH2 ARG 30 4.039 -6.171 -9.619
221 HH22 ARG 30 2HH2 ARG 30 2.613 -5.612 -10.425
222 H ARG 31 HN ARG 31 2.586 -12.055 -5.229
223 HA ARG 31 HA ARG 31 2.760 -14.918 -5.272
224 HB2 ARG 31 2HB ARG 31 4.268 -12.897 -4.161
225 HB3 ARG 31 3HB ARG 31 3.479 -13.606 -2.758
226 HG2 ARG 31 2HG ARG 31 4.460 -15.699 -3.122
227 HG3 ARG 31 3HG ARG 31 4.912 -15.293 -4.779
228 HD2 ARG 31 2HD ARG 31 6.882 -14.541 -4.085
229 HD3 ARG 31 3HD ARG 31 6.088 -13.392 -3.008
230 HE ARG 31 HE ARG 31 6.784 -14.707 -1.293
231 HH11 ARG 31 1HH1 ARG 31 6.337 -16.727 -4.093
232 HH12 ARG 31 2HH1 ARG 31 6.823 -18.180 -3.283
233 HH21 ARG 31 1HH2 ARG 31 7.426 -16.613 -0.217
234 HH22 ARG 31 2HH2 ARG 31 7.441 -18.114 -1.079
235 H MET 32 HN MET 32 1.465 -12.656 -2.830
236 HA MET 32 HA MET 32 0.174 -14.526 -1.249
237 HB2 MET 32 2HB MET 32 -0.760 -12.749 -0.147
238 HB3 MET 32 3HB MET 32 0.512 -11.907 -1.021
239 HG2 MET 32 2HG MET 32 -1.289 -10.556 -1.425
240 HG3 MET 32 3HG MET 32 -1.316 -11.601 -2.843
241 HE1 MET 32 1HE MET 32 -2.215 -11.538 0.758
242 HE2 MET 32 2HE MET 32 -3.968 -11.715 0.826
243 HE3 MET 32 3HE MET 32 -2.939 -13.146 0.733
244 H GLY 33 HN GLY 33 -0.577 -13.571 -4.418
245 HA2 GLY 33 1HA GLY 33 -2.190 -14.436 -5.838
246 HA3 GLY 33 2HA GLY 33 -2.865 -15.319 -4.476
247 H TYR 34 HN TYR 34 -2.440 -11.886 -5.356
248 HA TYR 34 HA TYR 34 -5.157 -11.381 -4.376
249 HB2 TYR 34 2HB TYR 34 -2.676 -9.802 -4.539
250 HB3 TYR 34 3HB TYR 34 -4.137 -8.916 -4.966
251 HD1 TYR 34 1HD TYR 34 -6.114 -10.117 -3.142
252 HD2 TYR 34 2HD TYR 34 -2.074 -8.983 -2.443
253 HE1 TYR 34 1HE TYR 34 -6.623 -9.800 -0.757
254 HE2 TYR 34 2HE TYR 34 -2.570 -8.663 -0.055
255 HH TYR 34 HH TYR 34 -4.822 -9.871 1.533
256 H ILE 35 HN ILE 35 -3.081 -10.871 -7.197
257 HA ILE 35 HA ILE 35 -5.504 -10.312 -8.780
258 HB ILE 35 HB ILE 35 -3.531 -9.366 -10.370
259 HG12 ILE 35 2HG1 ILE 35 -2.693 -8.719 -7.535
260 HG13 ILE 35 3HG1 ILE 35 -1.815 -9.771 -8.640
261 HG21 ILE 35 1HG2 ILE 35 -5.488 -8.225 -8.524
262 HG22 ILE 35 2HG2 ILE 35 -4.160 -7.136 -8.923
263 HG23 ILE 35 3HG2 ILE 35 -5.149 -7.827 -10.208
264 HD11 ILE 35 1HD1 ILE 35 -2.244 -7.287 -9.938
265 HD12 ILE 35 2HD1 ILE 35 -1.602 -6.974 -8.325
266 HD13 ILE 35 3HD1 ILE 35 -0.724 -8.027 -9.435
267 H GLN 36 HN GLN 36 -4.713 -10.630 -11.284
268 HA GLN 36 HA GLN 36 -4.378 -13.470 -11.515
269 HB2 GLN 36 2HB GLN 36 -4.827 -11.225 -13.450
270 HB3 GLN 36 3HB GLN 36 -4.350 -12.810 -14.042
271 HG2 GLN 36 2HG GLN 36 -6.330 -13.785 -13.451
272 HG3 GLN 36 3HG GLN 36 -6.641 -12.626 -12.159
273 HE21 GLN 36 1HE2 GLN 36 -8.736 -13.101 -13.604
274 HE22 GLN 36 2HE2 GLN 36 -9.065 -11.849 -14.747
275 H GLY 37 HN GLY 37 -2.522 -10.670 -12.725
276 HA2 GLY 37 1HA GLY 37 -0.046 -10.941 -12.158
277 HA3 GLY 37 2HA GLY 37 -0.200 -12.465 -13.019
278 H ASP 38 HN ASP 38 1.628 -11.337 -14.205
279 HA ASP 38 HA ASP 38 2.416 -10.403 -16.124
280 HB2 ASP 38 2HB ASP 38 0.921 -11.754 -17.360
281 HB3 ASP 38 3HB ASP 38 -0.477 -10.806 -16.861
282 H SER 39 HN SER 39 3.064 -8.383 -16.488
283 HA SER 39 HA SER 39 1.148 -6.183 -16.201
284 HB2 SER 39 2HB SER 39 3.783 -5.521 -15.120
285 HB3 SER 39 3HB SER 39 2.181 -5.216 -14.447
286 HG SER 39 HG SER 39 2.165 -7.338 -13.662
287 H ALA 40 HN ALA 40 3.055 -4.120 -16.461
288 HA ALA 40 HA ALA 40 4.763 -4.541 -18.696
289 HB1 ALA 40 1HB ALA 40 2.706 -2.683 -19.605
290 HB2 ALA 40 2HB ALA 40 3.507 -4.000 -20.464
291 HB3 ALA 40 3HB ALA 40 2.125 -4.338 -19.419
292 H ALA 41 HN ALA 41 5.207 -2.197 -19.733
293 HA ALA 41 HA ALA 41 6.174 -0.165 -19.395
294 HB1 ALA 41 1HB ALA 41 4.715 0.670 -17.047
295 HB2 ALA 41 2HB ALA 41 4.686 1.326 -18.684
296 HB3 ALA 41 3HB ALA 41 3.641 -0.029 -18.258
297 H GLU 42 HN GLU 42 8.199 -0.160 -18.679
298 HA GLU 42 HA GLU 42 8.674 -0.397 -15.800
299 HB2 GLU 42 2HB GLU 42 10.349 -1.862 -17.843
300 HB3 GLU 42 3HB GLU 42 10.520 -1.921 -16.095
301 HG2 GLU 42 2HG GLU 42 7.958 -2.728 -16.368
302 HG3 GLU 42 3HG GLU 42 8.658 -3.343 -17.865
303 H VAL 43 HN VAL 43 8.699 1.730 -17.951
304 HA VAL 43 HA VAL 43 11.291 2.553 -18.553
305 HB VAL 43 HB VAL 43 8.992 4.416 -17.962
306 HG11 VAL 43 1HG1 VAL 43 10.919 5.700 -18.271
307 HG12 VAL 43 2HG1 VAL 43 11.534 4.638 -19.539
308 HG13 VAL 43 3HG1 VAL 43 10.154 5.688 -19.860
309 HG21 VAL 43 1HG2 VAL 43 9.368 2.458 -20.114
310 HG22 VAL 43 2HG2 VAL 43 7.899 3.249 -19.542
311 HG23 VAL 43 3HG2 VAL 43 8.974 4.087 -20.661
312 H THR 44 HN THR 44 9.217 3.781 -15.919
313 HA THR 44 HA THR 44 11.499 3.916 -14.139
314 HB THR 44 HB THR 44 11.545 6.076 -15.430
315 HG1 THR 44 1HG THR 44 12.145 5.690 -13.058
316 HG21 THR 44 1HG2 THR 44 8.969 6.576 -13.932
317 HG22 THR 44 2HG2 THR 44 9.134 6.396 -15.679
318 HG23 THR 44 3HG2 THR 44 9.868 7.775 -14.861
319 H GLU 45 HN GLU 45 10.811 4.779 -11.948
320 HA GLU 45 HA GLU 45 8.001 4.691 -11.332
321 HB2 GLU 45 2HB GLU 45 8.901 2.772 -9.547
322 HB3 GLU 45 3HB GLU 45 7.875 2.491 -10.948
323 HG2 GLU 45 2HG GLU 45 9.626 0.936 -11.103
324 HG3 GLU 45 3HG GLU 45 9.989 2.192 -12.286
325 H MET 46 HN MET 46 7.538 5.697 -9.428
326 HA MET 46 HA MET 46 9.741 6.293 -7.591
327 HB2 MET 46 2HB MET 46 7.982 8.298 -8.981
328 HB3 MET 46 3HB MET 46 8.752 8.669 -7.444
329 HG2 MET 46 2HG MET 46 10.623 7.573 -9.363
330 HG3 MET 46 3HG MET 46 9.826 9.026 -9.961
331 HE1 MET 46 1HE MET 46 9.920 11.367 -7.355
332 HE2 MET 46 2HE MET 46 11.205 11.829 -8.470
333 HE3 MET 46 3HE MET 46 9.737 11.068 -9.084
334 H ALA 47 HN ALA 47 6.384 7.435 -7.885
335 HA ALA 47 HA ALA 47 5.035 5.806 -6.207
336 HB1 ALA 47 1HB ALA 47 6.404 5.939 -4.365
337 HB2 ALA 47 2HB ALA 47 6.808 7.632 -4.653
338 HB3 ALA 47 3HB ALA 47 5.225 7.202 -4.005
339 H HIS 48 HN HIS 48 5.761 9.201 -6.807
340 HA HIS 48 HA HIS 48 2.942 9.699 -7.310
341 HB2 HIS 48 2HB HIS 48 2.547 11.212 -5.651
342 HB3 HIS 48 3HB HIS 48 3.760 10.249 -4.813
343 HD1 HIS 48 1HD HIS 48 2.973 13.637 -5.575
344 HD2 HIS 48 2HD HIS 48 6.493 11.449 -5.282
345 HE1 HIS 48 1HE HIS 48 4.798 15.339 -5.264
346 H THR 49 HN THR 49 2.626 11.144 -8.913
347 HA THR 49 HA THR 49 4.524 13.178 -9.581
348 HB THR 49 HB THR 49 4.400 11.842 -12.045
349 HG1 THR 49 1HG THR 49 3.994 9.869 -11.106
350 HG21 THR 49 1HG2 THR 49 6.229 13.264 -11.182
351 HG22 THR 49 2HG2 THR 49 6.815 11.730 -11.826
352 HG23 THR 49 3HG2 THR 49 6.693 11.966 -10.083
353 H GLU 50 HN GLU 50 3.885 14.252 -11.722
354 HA GLU 50 HA GLU 50 1.338 15.230 -11.605
355 HB2 GLU 50 2HB GLU 50 3.470 15.203 -13.606
356 HB3 GLU 50 3HB GLU 50 1.866 15.349 -14.310
357 HG2 GLU 50 2HG GLU 50 2.362 17.544 -13.994
358 HG3 GLU 50 3HG GLU 50 1.573 17.187 -12.458
359 H THR 51 HN THR 51 2.172 13.268 -14.429
360 HA THR 51 HA THR 51 -0.234 12.532 -15.314
361 HB THR 51 HB THR 51 0.750 10.253 -15.907
362 HG1 THR 51 1HG THR 51 3.290 10.877 -15.463
363 HG21 THR 51 1HG2 THR 51 2.470 12.616 -16.647
364 HG22 THR 51 2HG2 THR 51 0.868 12.329 -17.324
365 HG23 THR 51 3HG2 THR 51 2.162 11.165 -17.600
366 H GLY 52 HN GLY 52 1.473 10.265 -13.151
367 HA2 GLY 52 1HA GLY 52 0.283 9.677 -11.033
368 HA3 GLY 52 2HA GLY 52 -1.164 9.552 -12.022
369 H TRP 53 HN TRP 53 0.134 7.544 -10.320
370 HA TRP 53 HA TRP 53 1.024 5.573 -12.299
371 HB2 TRP 53 2HB TRP 53 2.385 5.979 -10.224
372 HB3 TRP 53 3HB TRP 53 1.046 5.323 -9.287
373 HD1 TRP 53 1HD TRP 53 0.905 2.740 -9.060
374 HE1 TRP 53 1HE TRP 53 2.301 0.773 -9.958
375 HE3 TRP 53 3HE TRP 53 3.820 5.275 -12.410
376 HZ2 TRP 53 2HZ TRP 53 4.366 0.352 -11.837
377 HZ3 TRP 53 3HZ TRP 53 5.481 4.017 -13.717
378 HH2 TRP 53 2HH TRP 53 5.747 1.606 -13.435
379 H SER 54 HN SER 54 -0.109 3.760 -12.765
380 HA SER 54 HA SER 54 -2.875 3.680 -11.987
381 HB2 SER 54 2HB SER 54 -2.109 1.291 -13.355
382 HB3 SER 54 3HB SER 54 -3.063 2.645 -13.963
383 HG SER 54 HG SER 54 -0.381 2.049 -14.326
384 H CYS 55 HN CYS 55 -3.938 1.972 -10.916
385 HA CYS 55 HA CYS 55 -2.416 -0.124 -9.652
386 HB2 CYS 55 2HB CYS 55 -3.894 1.384 -7.610
387 HB3 CYS 55 3HB CYS 55 -2.298 0.644 -7.531
388 H HIS 56 HN HIS 56 -3.730 -1.738 -8.704
389 HA HIS 56 HA HIS 56 -6.043 -2.407 -9.979
390 HB2 HIS 56 2HB HIS 56 -4.822 -3.972 -8.558
391 HB3 HIS 56 3HB HIS 56 -5.299 -3.071 -7.122
392 HD1 HIS 56 1HD HIS 56 -8.120 -3.222 -9.343
393 HD2 HIS 56 2HD HIS 56 -6.397 -5.789 -6.568
394 HE1 HIS 56 1HE HIS 56 -9.898 -4.915 -8.799
395 H TYR 57 HN TYR 57 -5.905 -0.914 -6.741
396 HA TYR 57 HA TYR 57 -8.725 -0.421 -6.697
397 HB2 TYR 57 2HB TYR 57 -6.430 0.345 -4.911
398 HB3 TYR 57 3HB TYR 57 -8.037 1.018 -4.657
399 HD1 TYR 57 1HD TYR 57 -9.488 -0.098 -3.246
400 HD2 TYR 57 2HD TYR 57 -6.356 -2.287 -5.118
401 HE1 TYR 57 1HE TYR 57 -10.129 -2.098 -1.966
402 HE2 TYR 57 2HE TYR 57 -6.990 -4.293 -3.844
403 HH TYR 57 HH TYR 57 -9.838 -4.711 -2.367
404 H CYS 58 HN CYS 58 -6.256 1.041 -8.335
405 HA CYS 58 HA CYS 58 -7.033 3.787 -8.036
406 HB2 CYS 58 2HB CYS 58 -4.839 2.421 -9.122
407 HB3 CYS 58 3HB CYS 58 -5.595 3.239 -10.486
408 H ASP 59 HN ASP 59 -7.117 1.625 -10.874
409 HA ASP 59 HA ASP 59 -8.502 1.540 -12.678
410 HB2 ASP 59 2HB ASP 59 -10.163 1.744 -10.341
411 HB3 ASP 59 3HB ASP 59 -10.934 2.582 -11.685
412 H ASN 60 HN ASN 60 -7.995 2.945 -14.230
413 HA ASN 60 HA ASN 60 -8.857 5.746 -13.907
414 HB2 ASN 60 2HB ASN 60 -6.971 5.597 -16.000
415 HB3 ASN 60 3HB ASN 60 -6.751 6.314 -14.406
416 HD21 ASN 60 1HD2 ASN 60 -6.914 3.042 -15.782
417 HD22 ASN 60 2HD2 ASN 60 -5.501 2.454 -14.980