Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
645138 | 6so0 RC | 27277 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 1H GLY 1 -7.050 -5.632 -4.393
2 H2 GLY 1 2H GLY 1 -6.531 -4.104 -4.297
3 H3 GLY 1 3H GLY 1 -5.805 -5.260 -3.430
4 HA2 GLY 1 1HA GLY 1 -5.030 -6.269 -5.412
5 HA3 GLY 1 2HA GLY 1 -5.763 -5.102 -6.287
6 H SER 2 H SER 2 -3.438 -4.948 -7.153
7 HA SER 2 HA SER 2 -1.607 -3.678 -5.428
8 HB2 SER 2 1HB SER 2 -0.385 -3.304 -7.581
9 HB3 SER 2 2HB SER 2 -0.668 -4.871 -7.216
10 HG SER 2 HG SER 2 -1.190 -4.148 -9.385
11 HA PRO 3 HA PRO 3 -3.069 0.347 -6.068
12 HB2 PRO 3 1HB PRO 3 -0.947 1.937 -5.779
13 HB3 PRO 3 2HB PRO 3 -1.522 1.147 -4.470
14 HG2 PRO 3 1HG PRO 3 0.653 0.365 -6.159
15 HG3 PRO 3 2HG PRO 3 0.633 0.426 -4.527
16 HD2 PRO 3 1HD PRO 3 0.234 -1.832 -5.728
17 HD3 PRO 3 2HD PRO 3 -0.582 -1.494 -4.355
18 H THR 4 H THR 4 -3.756 1.574 -7.652
19 HA THR 4 HA THR 4 -2.353 1.188 -10.115
20 HB THR 4 HB THR 4 -4.655 1.775 -11.105
21 HG1 THR 4 HG1 THR 4 -6.270 2.115 -9.751
22 HG21 THR 4 1HG2 THR 4 -5.646 -0.330 -10.589
23 HG22 THR 4 2HG2 THR 4 -4.640 -0.525 -9.338
24 HG23 THR 4 3HG2 THR 4 -4.067 -0.565 -10.850
25 H PHE 5 H PHE 5 -2.136 3.403 -8.014
26 HA PHE 5 HA PHE 5 -3.121 5.691 -9.061
27 HB2 PHE 5 1HB PHE 5 -2.142 5.494 -6.831
28 HB3 PHE 5 2HB PHE 5 -0.656 5.415 -7.505
29 HD1 PHE 5 HD1 PHE 5 0.534 7.403 -8.159
30 HD2 PHE 5 HD2 PHE 5 -3.376 7.656 -6.763
31 HE1 PHE 5 HE1 PHE 5 0.802 9.780 -7.874
32 HE2 PHE 5 HE2 PHE 5 -3.129 10.048 -6.506
33 HZ PHE 5 HZ PHE 5 -1.029 11.103 -7.060
34 H CYS 6 H CYS 6 -0.078 4.287 -9.914
35 HA CYS 6 HA CYS 6 0.268 6.426 -11.810
36 HB2 CYS 6 1HB CYS 6 2.035 5.339 -10.067
37 HB3 CYS 6 2HB CYS 6 2.581 5.007 -11.570
38 H GLN 7 H GLN 7 -0.892 3.491 -11.810
39 HA GLN 7 HA GLN 7 0.550 2.268 -13.856
40 HB2 GLN 7 1HB GLN 7 -1.944 1.752 -12.590
41 HB3 GLN 7 2HB GLN 7 -1.589 0.927 -13.954
42 HG2 GLN 7 1HG GLN 7 0.408 0.112 -12.846
43 HG3 GLN 7 2HG GLN 7 -0.143 0.795 -11.468
44 HE21 GLN 7 1HE2 GLN 7 -1.782 -2.063 -10.540
45 HE22 GLN 7 2HE2 GLN 7 -0.777 -0.728 -10.086
46 H GLY 8 H GLY 8 0.608 2.716 -15.993
47 HA2 GLY 8 1HA GLY 8 -0.326 3.214 -18.007
48 HA3 GLY 8 2HA GLY 8 -1.794 3.397 -17.316
49 H LYS 9 H LYS 9 0.129 5.302 -15.548
50 HA LYS 9 HA LYS 9 -0.818 7.575 -16.893
51 HB2 LYS 9 1HB LYS 9 0.504 7.195 -14.398
52 HB3 LYS 9 2HB LYS 9 0.576 8.696 -15.037
53 HG2 LYS 9 1HG LYS 9 -1.864 8.644 -15.130
54 HG3 LYS 9 2HG LYS 9 -1.788 7.298 -14.209
55 HD2 LYS 9 1HD LYS 9 -0.559 8.517 -12.611
56 HD3 LYS 9 2HD LYS 9 -0.780 9.861 -13.513
57 HE2 LYS 9 1HE LYS 9 -3.060 9.814 -13.138
58 HE3 LYS 9 2HE LYS 9 -2.958 8.349 -12.424
59 HZ1 LYS 9 1HZ LYS 9 -3.104 10.055 -10.767
60 HZ2 LYS 9 2HZ LYS 9 -1.776 10.757 -11.365
61 HZ3 LYS 9 3HZ LYS 9 -1.675 9.306 -10.659
62 H ALA 10 H ALA 10 0.238 9.174 -17.979
63 HA ALA 10 HA ALA 10 2.761 8.689 -19.044
64 HB1 ALA 10 1HB ALA 10 1.210 10.164 -20.165
65 HB2 ALA 10 2HB ALA 10 2.575 10.982 -19.874
66 HB3 ALA 10 3HB ALA 10 1.281 11.207 -18.931
67 H ASP 11 H ASP 11 4.747 9.888 -18.658
68 HA ASP 11 HA ASP 11 5.333 10.187 -15.980
69 HB2 ASP 11 1HB ASP 11 7.480 10.985 -16.765
70 HB3 ASP 11 2HB ASP 11 7.029 9.625 -17.549
71 H GLY 12 H GLY 12 6.612 12.282 -15.216
72 HA2 GLY 12 1HA GLY 12 6.453 14.669 -15.289
73 HA3 GLY 12 2HA GLY 12 4.899 14.546 -15.777
74 H LEU 13 H LEU 13 4.934 16.192 -13.826
75 HA LEU 13 HA LEU 13 4.754 14.717 -11.389
76 HB2 LEU 13 1HB LEU 13 4.805 17.582 -11.740
77 HB3 LEU 13 2HB LEU 13 4.869 16.839 -10.287
78 HG LEU 13 HG LEU 13 6.983 16.963 -12.214
79 HD11 LEU 13 1HD1 LEU 13 8.115 18.176 -10.467
80 HD12 LEU 13 2HD1 LEU 13 6.812 18.025 -9.521
81 HD13 LEU 13 3HD1 LEU 13 6.739 18.929 -10.861
82 HD21 LEU 13 1HD2 LEU 13 8.345 15.735 -10.738
83 HD22 LEU 13 2HD2 LEU 13 7.099 14.837 -11.246
84 HD23 LEU 13 3HD2 LEU 13 7.078 15.486 -9.765
85 H TYR 14 H TYR 14 3.027 14.877 -9.884
86 HA TYR 14 HA TYR 14 0.575 15.956 -10.954
87 HB2 TYR 14 1HB TYR 14 0.895 13.341 -9.754
88 HB3 TYR 14 2HB TYR 14 -0.567 13.990 -10.082
89 HD1 TYR 14 HD1 TYR 14 2.365 12.577 -11.582
90 HD2 TYR 14 HD2 TYR 14 -1.471 13.963 -12.356
91 HE1 TYR 14 HE1 TYR 14 2.503 11.688 -13.829
92 HE2 TYR 14 HE2 TYR 14 -1.349 13.031 -14.585
93 HH TYR 14 HH TYR 14 0.648 10.833 -15.636
94 HA PRO 15 HA PRO 15 0.319 17.856 -7.143
95 HB2 PRO 15 1HB PRO 15 -2.306 18.281 -6.706
96 HB3 PRO 15 2HB PRO 15 -1.566 19.092 -7.914
97 HG2 PRO 15 1HG PRO 15 -3.044 16.669 -8.092
98 HG3 PRO 15 2HG PRO 15 -3.212 18.014 -9.004
99 HD2 PRO 15 1HD PRO 15 -1.822 16.046 -9.939
100 HD3 PRO 15 2HD PRO 15 -1.300 17.570 -10.207
101 H ASN 16 H ASN 16 0.267 17.819 -5.039
102 HA ASN 16 HA ASN 16 -0.100 15.196 -3.980
103 HB2 ASN 16 1HB ASN 16 1.293 15.944 -2.222
104 HB3 ASN 16 2HB ASN 16 1.958 16.455 -3.624
105 HD21 ASN 16 1HD2 ASN 16 1.491 19.064 -0.873
106 HD22 ASN 16 2HD2 ASN 16 1.800 17.366 -0.727
107 HA PRO 17 HA PRO 17 -3.605 16.316 -1.873
108 HB2 PRO 17 1HB PRO 17 -4.022 14.319 -0.142
109 HB3 PRO 17 2HB PRO 17 -3.866 13.909 -1.715
110 HG2 PRO 17 1HG PRO 17 -1.850 13.892 0.302
111 HG3 PRO 17 2HG PRO 17 -2.208 12.704 -0.760
112 HD2 PRO 17 1HD PRO 17 -0.242 14.419 -1.204
113 HD3 PRO 17 2HD PRO 17 -1.040 13.696 -2.432
114 H ARG 18 H ARG 18 -0.964 16.464 0.152
115 HA ARG 18 HA ARG 18 -2.559 17.732 2.130
116 HB2 ARG 18 1HB ARG 18 -2.196 15.349 2.776
117 HB3 ARG 18 2HB ARG 18 -0.593 15.658 2.834
118 HG2 ARG 18 1HG ARG 18 -0.981 17.110 4.707
119 HG3 ARG 18 2HG ARG 18 -2.556 16.679 4.679
120 HD2 ARG 18 1HD ARG 18 -1.926 14.407 5.110
121 HD3 ARG 18 2HD ARG 18 -0.361 14.867 5.182
122 HE ARG 18 HE ARG 18 -1.815 16.354 7.014
123 HH11 ARG 18 1HH1 ARG 18 -0.497 13.112 6.614
124 HH12 ARG 18 2HH1 ARG 18 -0.451 12.826 8.322
125 HH21 ARG 18 1HH2 ARG 18 -1.739 15.912 9.175
126 HH22 ARG 18 2HH2 ARG 18 -1.146 14.391 9.751
127 H GLU 19 H GLU 19 0.764 17.130 1.357
128 HA GLU 19 HA GLU 19 1.606 18.973 3.279
129 HB2 GLU 19 1HB GLU 19 3.184 17.782 1.164
130 HB3 GLU 19 2HB GLU 19 3.825 18.566 2.445
131 HG2 GLU 19 1HG GLU 19 2.441 16.049 2.522
132 HG3 GLU 19 2HG GLU 19 4.023 16.291 2.851
133 H ARG 20 H ARG 20 3.175 20.818 2.848
134 HA ARG 20 HA ARG 20 1.719 22.597 1.351
135 HB2 ARG 20 1HB ARG 20 3.119 23.204 3.264
136 HB3 ARG 20 2HB ARG 20 4.440 22.969 2.332
137 HG2 ARG 20 1HG ARG 20 4.022 25.285 2.557
138 HG3 ARG 20 2HG ARG 20 3.824 24.845 0.997
139 HD2 ARG 20 1HD ARG 20 1.518 24.912 1.188
140 HD3 ARG 20 2HD ARG 20 1.600 25.045 2.813
141 HE ARG 20 HE ARG 20 1.960 27.144 0.911
142 HH11 ARG 20 1HH1 ARG 20 2.094 26.263 4.335
143 HH12 ARG 20 2HH1 ARG 20 2.048 27.920 4.837
144 HH21 ARG 20 1HH2 ARG 20 1.923 29.211 1.655
145 HH22 ARG 20 2HH2 ARG 20 1.955 29.546 3.354
146 H SER 21 H SER 21 4.716 21.077 0.523
147 HA SER 21 HA SER 21 4.360 21.986 -2.128
148 HB2 SER 21 1HB SER 21 6.943 22.416 -0.803
149 HB3 SER 21 2HB SER 21 6.589 22.933 -2.311
150 HG SER 21 HG SER 21 6.501 24.561 -0.718
151 H SER 22 H SER 22 4.179 19.333 -1.137
152 HA SER 22 HA SER 22 6.475 18.081 -2.385
153 HB2 SER 22 1HB SER 22 5.784 16.040 -1.462
154 HB3 SER 22 2HB SER 22 5.768 17.159 -0.273
155 HG SER 22 HG SER 22 3.498 16.576 -1.695
156 H PHE 23 H PHE 23 5.895 16.137 -3.876
157 HA PHE 23 HA PHE 23 3.448 16.562 -5.260
158 HB2 PHE 23 1HB PHE 23 4.562 16.584 -7.425
159 HB3 PHE 23 2HB PHE 23 4.833 17.931 -6.543
160 HD1 PHE 23 HD1 PHE 23 6.985 18.677 -6.163
161 HD2 PHE 23 HD2 PHE 23 6.425 14.756 -7.392
162 HE1 PHE 23 HE1 PHE 23 9.372 18.422 -6.406
163 HE2 PHE 23 HE2 PHE 23 8.806 14.494 -7.671
164 HZ PHE 23 HZ PHE 23 10.285 16.325 -7.155
165 H TYR 24 H TYR 24 3.083 14.898 -6.991
166 HA TYR 24 HA TYR 24 4.310 12.379 -6.271
167 HB2 TYR 24 1HB TYR 24 1.986 12.915 -7.874
168 HB3 TYR 24 2HB TYR 24 2.635 11.423 -7.741
169 HD1 TYR 24 HD1 TYR 24 2.635 10.323 -5.426
170 HD2 TYR 24 HD2 TYR 24 0.339 13.643 -6.382
171 HE1 TYR 24 HE1 TYR 24 1.148 9.821 -3.593
172 HE2 TYR 24 HE2 TYR 24 -1.151 13.138 -4.547
173 HH TYR 24 HH TYR 24 -1.871 11.077 -3.227
174 H SER 25 H SER 25 5.489 11.258 -7.991
175 HA SER 25 HA SER 25 5.753 12.698 -10.491
176 HB2 SER 25 1HB SER 25 7.727 13.190 -9.271
177 HB3 SER 25 2HB SER 25 7.966 11.602 -8.975
178 HG SER 25 HG SER 25 9.289 12.101 -10.598
179 H CYS 26 H CYS 26 5.698 11.320 -12.309
180 HA CYS 26 HA CYS 26 5.553 8.503 -11.659
181 HB2 CYS 26 1HB CYS 26 3.633 9.842 -12.664
182 HB3 CYS 26 2HB CYS 26 4.398 9.429 -14.047
183 H ALA 27 H ALA 27 7.041 7.155 -12.532
184 HA ALA 27 HA ALA 27 8.411 8.044 -14.911
185 HB1 ALA 27 1HB ALA 27 9.891 8.665 -13.118
186 HB2 ALA 27 2HB ALA 27 10.567 7.458 -13.955
187 HB3 ALA 27 3HB ALA 27 9.850 7.156 -12.538
188 H ALA 28 H ALA 28 8.042 6.511 -16.411
189 HA ALA 28 HA ALA 28 7.582 4.517 -17.248
190 HB1 ALA 28 1HB ALA 28 9.927 4.090 -16.773
191 HB2 ALA 28 2HB ALA 28 9.104 2.699 -16.715
192 HB3 ALA 28 3HB ALA 28 9.525 3.448 -15.345
193 H GLY 29 H GLY 29 5.662 5.286 -15.416
194 HA2 GLY 29 1HA GLY 29 3.811 4.302 -14.542
195 HA3 GLY 29 2HA GLY 29 4.405 2.821 -14.894
196 H ARG 30 H ARG 30 6.691 4.257 -13.113
197 HA ARG 30 HA ARG 30 5.798 2.988 -10.687
198 HB2 ARG 30 1HB ARG 30 8.406 4.061 -11.274
199 HB3 ARG 30 2HB ARG 30 8.031 3.185 -9.947
200 HG2 ARG 30 1HG ARG 30 7.933 2.117 -12.609
201 HG3 ARG 30 2HG ARG 30 9.220 1.935 -11.621
202 HD2 ARG 30 1HD ARG 30 7.836 0.709 -10.069
203 HD3 ARG 30 2HD ARG 30 6.574 0.858 -11.095
204 HE ARG 30 HE ARG 30 8.475 -0.339 -12.589
205 HH11 ARG 30 1HH1 ARG 30 8.649 -2.522 -12.876
206 HH12 ARG 30 2HH1 ARG 30 8.018 -3.623 -11.697
207 HH21 ARG 30 1HH2 ARG 30 6.826 -1.172 -9.588
208 HH22 ARG 30 2HH2 ARG 30 7.002 -2.873 -9.865
209 H LEU 31 H LEU 31 5.686 4.118 -8.681
210 HA LEU 31 HA LEU 31 5.237 6.904 -9.118
211 HB2 LEU 31 1HB LEU 31 3.425 5.664 -8.131
212 HB3 LEU 31 2HB LEU 31 4.398 5.224 -6.896
213 HG LEU 31 HG LEU 31 4.420 7.498 -6.127
214 HD11 LEU 31 1HD1 LEU 31 2.988 9.108 -7.128
215 HD12 LEU 31 2HD1 LEU 31 2.572 8.044 -8.272
216 HD13 LEU 31 3HD1 LEU 31 4.088 8.604 -8.202
217 HD21 LEU 31 1HD2 LEU 31 2.145 7.515 -5.323
218 HD22 LEU 31 2HD2 LEU 31 2.736 6.012 -5.237
219 HD23 LEU 31 3HD2 LEU 31 1.736 6.419 -6.440
220 H PHE 32 H PHE 32 6.432 8.493 -8.305
221 HA PHE 32 HA PHE 32 8.099 7.881 -6.013
222 HB2 PHE 32 1HB PHE 32 8.627 9.674 -8.180
223 HB3 PHE 32 2HB PHE 32 9.422 9.817 -6.761
224 HD1 PHE 32 HD1 PHE 32 8.892 7.549 -9.518
225 HD2 PHE 32 HD2 PHE 32 11.286 8.482 -6.255
226 HE1 PHE 32 HE1 PHE 32 10.523 5.918 -10.258
227 HE2 PHE 32 HE2 PHE 32 12.922 6.870 -6.971
228 HZ PHE 32 HZ PHE 32 12.550 5.586 -8.986
229 H GLN 33 H GLN 33 7.852 9.241 -4.189
230 HA GLN 33 HA GLN 33 6.059 11.529 -4.490
231 HB2 GLN 33 1HB GLN 33 6.204 9.703 -2.305
232 HB3 GLN 33 2HB GLN 33 5.497 11.169 -2.173
233 HG2 GLN 33 1HG GLN 33 3.772 10.590 -3.543
234 HG3 GLN 33 2HG GLN 33 4.602 9.349 -4.204
235 HE21 GLN 33 1HE2 GLN 33 2.697 8.804 -0.673
236 HE22 GLN 33 2HE2 GLN 33 3.173 10.386 -1.193
237 H GLN 34 H GLN 34 7.240 13.408 -4.330
238 HA GLN 34 HA GLN 34 9.596 13.371 -2.660
239 HB2 GLN 34 1HB GLN 34 9.643 14.115 -5.455
240 HB3 GLN 34 2HB GLN 34 10.905 14.349 -4.444
241 HG2 GLN 34 1HG GLN 34 11.279 12.071 -4.284
242 HG3 GLN 34 2HG GLN 34 9.901 11.742 -5.097
243 HE21 GLN 34 1HE2 GLN 34 13.259 12.129 -7.059
244 HE22 GLN 34 2HE2 GLN 34 13.122 11.945 -5.343
245 H SER 35 H SER 35 10.645 15.665 -2.560
246 HA SER 35 HA SER 35 8.448 17.489 -2.351
247 HB2 SER 35 1HB SER 35 9.842 18.599 -0.586
248 HB3 SER 35 2HB SER 35 9.453 17.061 -0.198
249 HG SER 35 HG SER 35 11.431 16.365 -0.802
250 H CYS 36 H CYS 36 8.623 19.733 -2.772
251 HA CYS 36 HA CYS 36 10.895 20.539 -4.400
252 HB2 CYS 36 1HB CYS 36 8.215 20.937 -4.715
253 HB3 CYS 36 2HB CYS 36 9.015 22.360 -4.674
254 HA PRO 37 HA PRO 37 10.848 22.442 -0.454
255 HB2 PRO 37 1HB PRO 37 13.446 22.395 0.314
256 HB3 PRO 37 2HB PRO 37 12.627 20.983 0.261
257 HG2 PRO 37 1HG PRO 37 14.320 22.095 -1.758
258 HG3 PRO 37 2HG PRO 37 14.332 20.569 -1.177
259 HD2 PRO 37 1HD PRO 37 13.084 21.128 -3.410
260 HD3 PRO 37 2HD PRO 37 12.518 19.959 -2.420
261 H THR 38 H THR 38 13.417 23.847 -2.363
262 HA THR 38 HA THR 38 12.925 26.210 -0.845
263 HB THR 38 HB THR 38 15.264 25.751 -2.454
264 HG1 THR 38 HG1 THR 38 15.408 25.376 0.244
265 HG21 THR 38 1HG2 THR 38 16.322 27.364 -1.012
266 HG22 THR 38 2HG2 THR 38 14.946 27.536 -0.181
267 HG23 THR 38 3HG2 THR 38 15.033 28.042 -1.714
268 H GLY 39 H GLY 39 11.509 27.611 -1.678
269 HA2 GLY 39 1HA GLY 39 10.904 29.250 -3.116
270 HA3 GLY 39 2HA GLY 39 12.281 29.027 -3.966
271 H LEU 40 H LEU 40 10.983 26.147 -3.926
272 HA LEU 40 HA LEU 40 10.011 26.430 -6.586
273 HB2 LEU 40 1HB LEU 40 10.808 24.156 -4.993
274 HB3 LEU 40 2HB LEU 40 10.127 23.938 -6.461
275 HG LEU 40 HG LEU 40 12.573 25.408 -6.226
276 HD11 LEU 40 1HD1 LEU 40 13.789 23.377 -6.621
277 HD12 LEU 40 2HD1 LEU 40 12.414 22.531 -6.521
278 HD13 LEU 40 3HD1 LEU 40 12.999 23.280 -5.213
279 HD21 LEU 40 1HD2 LEU 40 12.864 24.733 -8.506
280 HD22 LEU 40 2HD2 LEU 40 11.460 25.518 -8.340
281 HD23 LEU 40 3HD2 LEU 40 11.477 23.905 -8.444
282 H VAL 41 H VAL 41 7.937 26.073 -7.285
283 HA VAL 41 HA VAL 41 6.110 24.928 -5.385
284 HB VAL 41 HB VAL 41 4.379 26.475 -6.125
285 HG11 VAL 41 1HG1 VAL 41 5.142 28.367 -4.823
286 HG12 VAL 41 2HG1 VAL 41 6.650 27.785 -4.867
287 HG13 VAL 41 3HG1 VAL 41 5.497 26.984 -4.065
288 HG21 VAL 41 1HG2 VAL 41 5.014 28.477 -7.352
289 HG22 VAL 41 2HG2 VAL 41 5.303 27.164 -8.250
290 HG23 VAL 41 3HG2 VAL 41 6.522 27.911 -7.495
291 H PHE 42 H PHE 42 4.371 23.652 -6.276
292 HA PHE 42 HA PHE 42 5.034 22.580 -8.785
293 HB2 PHE 42 1HB PHE 42 4.198 21.090 -7.172
294 HB3 PHE 42 2HB PHE 42 2.823 21.960 -7.026
295 HD1 PHE 42 HD1 PHE 42 4.618 20.413 -9.799
296 HD2 PHE 42 HD2 PHE 42 0.946 20.903 -7.920
297 HE1 PHE 42 HE1 PHE 42 3.552 19.161 -11.556
298 HE2 PHE 42 HE2 PHE 42 -0.114 19.602 -9.652
299 HZ PHE 42 HZ PHE 42 1.199 18.723 -11.470
300 H SER 43 H SER 43 4.036 22.875 -10.783
301 HA SER 43 HA SER 43 1.787 24.672 -10.782
302 HB2 SER 43 1HB SER 43 3.594 25.789 -11.803
303 HB3 SER 43 2HB SER 43 3.881 24.512 -12.781
304 HG SER 43 HG SER 43 2.791 25.750 -14.079
305 H ASN 44 H ASN 44 -0.073 23.692 -11.234
306 HA ASN 44 HA ASN 44 -0.123 21.162 -12.265
307 HB2 ASN 44 1HB ASN 44 -2.255 23.118 -11.955
308 HB3 ASN 44 2HB ASN 44 -2.602 21.619 -12.502
309 HD21 ASN 44 1HD2 ASN 44 -3.171 20.444 -9.350
310 HD22 ASN 44 2HD2 ASN 44 -3.628 20.472 -11.021
311 H SER 45 H SER 45 0.038 24.075 -13.962
312 HA SER 45 HA SER 45 -1.285 23.180 -16.260
313 HB2 SER 45 1HB SER 45 -0.316 25.225 -17.281
314 HB3 SER 45 2HB SER 45 -1.132 25.532 -15.900
315 HG SER 45 HG SER 45 1.508 24.970 -15.657
316 H CYS 46 H CYS 46 2.033 23.180 -15.268
317 HA CYS 46 HA CYS 46 2.775 22.152 -17.822
318 HB2 CYS 46 1HB CYS 46 5.021 22.652 -17.237
319 HB3 CYS 46 2HB CYS 46 4.063 23.967 -17.100
320 H LYS 47 H LYS 47 2.015 20.930 -14.932
321 HA LYS 47 HA LYS 47 2.421 18.966 -13.879
322 HB2 LYS 47 1HB LYS 47 2.959 18.111 -16.540
323 HB3 LYS 47 2HB LYS 47 3.260 17.077 -15.312
324 HG2 LYS 47 1HG LYS 47 1.122 16.645 -16.258
325 HG3 LYS 47 2HG LYS 47 0.963 17.117 -14.703
326 HD2 LYS 47 1HD LYS 47 0.316 19.228 -15.346
327 HD3 LYS 47 2HD LYS 47 0.656 18.903 -16.910
328 HE2 LYS 47 1HE LYS 47 -1.138 17.363 -16.983
329 HE3 LYS 47 2HE LYS 47 -1.473 17.674 -15.416
330 HZ1 LYS 47 1HZ LYS 47 -2.910 18.946 -16.826
331 HZ2 LYS 47 2HZ LYS 47 -1.625 19.630 -17.529
332 HZ3 LYS 47 3HZ LYS 47 -1.957 19.938 -15.977
333 H CYS 48 H CYS 48 4.271 20.982 -13.720
334 HA CYS 48 HA CYS 48 6.739 19.581 -13.301
335 HB2 CYS 48 1HB CYS 48 7.994 20.898 -14.533
336 HB3 CYS 48 2HB CYS 48 6.683 20.630 -15.470
337 H CYS 49 H CYS 49 8.332 20.918 -12.014
338 HA CYS 49 HA CYS 49 6.882 22.618 -10.149
339 HB2 CYS 49 1HB CYS 49 7.809 20.593 -9.314
340 HB3 CYS 49 2HB CYS 49 9.286 21.203 -9.651
341 H THR 50 H THR 50 7.704 24.746 -9.854
342 HA THR 50 HA THR 50 10.106 25.380 -11.262
343 HB THR 50 HB THR 50 8.353 25.818 -12.897
344 HG1 THR 50 HG1 THR 50 10.228 27.142 -12.821
345 HG21 THR 50 1HG2 THR 50 6.727 27.560 -12.478
346 HG22 THR 50 2HG2 THR 50 7.326 27.786 -10.994
347 HG23 THR 50 3HG2 THR 50 6.548 26.414 -11.351
348 H TRP 51 H TRP 51 11.013 27.542 -10.770
349 HA TRP 51 HA TRP 51 10.667 28.146 -8.048
350 HB2 TRP 51 1HB TRP 51 12.148 29.513 -10.107
351 HB3 TRP 51 2HB TRP 51 12.157 30.020 -8.555
352 HD1 TRP 51 HD1 TRP 51 13.393 28.398 -6.777
353 HE1 TRP 51 HE1 TRP 51 15.243 26.722 -6.948
354 HE3 TRP 51 HE3 TRP 51 13.233 27.820 -11.737
355 HZ2 TRP 51 HZ2 TRP 51 16.450 25.316 -9.080
356 HZ3 TRP 51 HZ3 TRP 51 14.769 26.253 -12.790
357 HH2 TRP 51 HH2 TRP 51 16.363 25.022 -11.448
358 H ASN 52 H ASN 52 9.462 29.780 -7.050
359 HA ASN 52 HA ASN 52 7.456 30.910 -8.617
360 HB2 ASN 52 1HB ASN 52 6.961 30.482 -6.355
361 HB3 ASN 52 2HB ASN 52 8.183 31.449 -5.865
362 HD21 ASN 52 1HD2 ASN 52 6.006 34.036 -5.351
363 HD22 ASN 52 2HD2 ASN 52 7.215 32.990 -4.685
364 H GLY 53 H GLY 53 7.459 32.759 -9.794
365 HA2 GLY 53 1HA GLY 53 9.628 34.592 -9.330
366 HA3 GLY 53 2HA GLY 53 8.788 34.453 -10.724
367 H LEU 54 H LEU 54 6.522 34.423 -8.403
368 HA LEU 54 HA LEU 54 6.048 37.230 -8.804
369 HB2 LEU 54 1HB LEU 54 4.321 35.638 -9.459
370 HB3 LEU 54 2HB LEU 54 4.094 35.322 -7.873
371 HG LEU 54 HG LEU 54 3.818 38.030 -8.633
372 HD11 LEU 54 1HD1 LEU 54 1.574 37.679 -9.483
373 HD12 LEU 54 2HD1 LEU 54 1.782 36.080 -9.357
374 HD13 LEU 54 3HD1 LEU 54 2.650 36.927 -10.427
375 HD21 LEU 54 1HD2 LEU 54 2.042 38.047 -7.029
376 HD22 LEU 54 2HD2 LEU 54 3.395 37.467 -6.360
377 HD23 LEU 54 3HD2 LEU 54 2.217 36.454 -6.809
378 H VAL 55 H VAL 55 6.542 38.661 -7.263
379 HA VAL 55 HA VAL 55 6.369 37.751 -4.520
380 HB VAL 55 HB VAL 55 7.947 39.975 -5.529
381 HG11 VAL 55 1HG1 VAL 55 8.877 40.171 -3.322
382 HG12 VAL 55 2HG1 VAL 55 7.883 39.011 -2.793
383 HG13 VAL 55 3HG1 VAL 55 7.283 40.433 -3.273
384 HG21 VAL 55 1HG2 VAL 55 9.867 38.573 -5.028
385 HG22 VAL 55 2HG2 VAL 55 8.919 37.832 -6.108
386 HG23 VAL 55 3HG2 VAL 55 8.877 37.386 -4.554
387 HA PRO 56 HA PRO 56 3.010 40.647 -4.505
388 HB2 PRO 56 1HB PRO 56 1.444 39.502 -2.736
389 HB3 PRO 56 2HB PRO 56 1.733 38.648 -4.098
390 HG2 PRO 56 1HG PRO 56 2.990 38.374 -1.557
391 HG3 PRO 56 2HG PRO 56 2.448 37.189 -2.540
392 HD2 PRO 56 1HD PRO 56 5.017 37.970 -2.466
393 HD3 PRO 56 2HD PRO 56 4.368 37.168 -3.732
394 H ARG 57 H ARG 57 5.468 40.899 -2.846
395 HA ARG 57 HA ARG 57 4.329 42.555 -0.780
396 HB2 ARG 57 1HB ARG 57 6.794 41.034 -0.627
397 HB3 ARG 57 2HB ARG 57 6.327 42.081 0.535
398 HG2 ARG 57 1HG ARG 57 4.919 39.680 -0.136
399 HG3 ARG 57 2HG ARG 57 5.903 39.846 1.157
400 HD2 ARG 57 1HD ARG 57 4.416 41.575 1.980
401 HD3 ARG 57 2HD ARG 57 3.394 41.211 0.760
402 HE ARG 57 HE ARG 57 3.921 38.890 2.172
403 HH11 ARG 57 1HH1 ARG 57 2.107 41.885 2.529
404 HH12 ARG 57 2HH1 ARG 57 0.981 41.174 3.636
405 HH21 ARG 57 1HH2 ARG 57 2.466 38.054 3.601
406 HH22 ARG 57 2HH2 ARG 57 1.183 39.030 4.236
Start of MODEL 2
1 H1 GLY 1 1H GLY 1 4.581 -6.729 -13.905
2 H2 GLY 1 2H GLY 1 5.477 -6.129 -12.700
3 H3 GLY 1 3H GLY 1 5.651 -5.553 -14.201
4 HA2 GLY 1 1HA GLY 1 3.466 -4.671 -14.123
5 HA3 GLY 1 2HA GLY 1 3.291 -5.253 -12.607
6 H SER 2 H SER 2 2.702 -2.854 -12.369
7 HA SER 2 HA SER 2 4.974 -1.508 -11.239
8 HB2 SER 2 1HB SER 2 4.602 0.494 -12.509
9 HB3 SER 2 2HB SER 2 5.004 -0.728 -13.516
10 HG SER 2 HG SER 2 3.296 -0.162 -14.519
11 HA PRO 3 HA PRO 3 1.702 -0.507 -8.618
12 HB2 PRO 3 1HB PRO 3 2.149 1.951 -7.622
13 HB3 PRO 3 2HB PRO 3 3.141 0.728 -7.188
14 HG2 PRO 3 1HG PRO 3 3.520 2.621 -9.266
15 HG3 PRO 3 2HG PRO 3 4.563 2.215 -8.076
16 HD2 PRO 3 1HD PRO 3 4.848 1.127 -10.387
17 HD3 PRO 3 2HD PRO 3 5.070 0.206 -9.057
18 H THR 4 H THR 4 -0.328 0.201 -8.360
19 HA THR 4 HA THR 4 -1.466 0.890 -10.710
20 HB THR 4 HB THR 4 -3.190 1.425 -8.479
21 HG1 THR 4 HG1 THR 4 -1.801 0.333 -7.222
22 HG21 THR 4 1HG2 THR 4 -4.434 -0.438 -9.260
23 HG22 THR 4 2HG2 THR 4 -3.227 -0.859 -10.250
24 HG23 THR 4 3HG2 THR 4 -4.059 0.500 -10.523
25 H PHE 5 H PHE 5 -0.545 3.008 -8.248
26 HA PHE 5 HA PHE 5 -2.193 5.124 -8.799
27 HB2 PHE 5 1HB PHE 5 -0.692 4.866 -6.883
28 HB3 PHE 5 2HB PHE 5 0.559 5.233 -7.867
29 HD1 PHE 5 HD1 PHE 5 1.059 7.524 -8.474
30 HD2 PHE 5 HD2 PHE 5 -2.249 6.597 -6.129
31 HE1 PHE 5 HE1 PHE 5 0.905 9.834 -7.784
32 HE2 PHE 5 HE2 PHE 5 -2.480 8.920 -5.529
33 HZ PHE 5 HZ PHE 5 -0.897 10.544 -6.370
34 H CYS 6 H CYS 6 0.708 4.182 -10.392
35 HA CYS 6 HA CYS 6 0.472 6.489 -12.103
36 HB2 CYS 6 1HB CYS 6 2.705 4.821 -11.545
37 HB3 CYS 6 2HB CYS 6 2.728 5.870 -12.796
38 H GLN 7 H GLN 7 -0.677 3.541 -12.143
39 HA GLN 7 HA GLN 7 0.201 2.664 -14.666
40 HB2 GLN 7 1HB GLN 7 -1.589 1.695 -12.738
41 HB3 GLN 7 2HB GLN 7 -1.946 1.260 -14.271
42 HG2 GLN 7 1HG GLN 7 0.293 0.375 -14.446
43 HG3 GLN 7 2HG GLN 7 0.456 0.639 -12.842
44 HE21 GLN 7 1HE2 GLN 7 -1.205 -2.712 -14.122
45 HE22 GLN 7 2HE2 GLN 7 -0.342 -1.589 -15.118
46 H GLY 8 H GLY 8 -0.527 3.264 -16.671
47 HA2 GLY 8 1HA GLY 8 -1.997 4.128 -18.168
48 HA3 GLY 8 2HA GLY 8 -3.195 4.033 -17.063
49 H LYS 9 H LYS 9 -0.415 5.714 -16.149
50 HA LYS 9 HA LYS 9 -1.715 8.269 -16.586
51 HB2 LYS 9 1HB LYS 9 -0.058 7.510 -14.371
52 HB3 LYS 9 2HB LYS 9 -0.533 9.049 -14.644
53 HG2 LYS 9 1HG LYS 9 -2.250 6.857 -14.070
54 HG3 LYS 9 2HG LYS 9 -1.866 8.062 -13.035
55 HD2 LYS 9 1HD LYS 9 -3.032 9.613 -14.450
56 HD3 LYS 9 2HD LYS 9 -3.465 8.373 -15.421
57 HE2 LYS 9 1HE LYS 9 -4.640 7.397 -13.553
58 HE3 LYS 9 2HE LYS 9 -4.309 8.744 -12.692
59 HZ1 LYS 9 1HZ LYS 9 -6.491 8.909 -13.660
60 HZ2 LYS 9 2HZ LYS 9 -5.857 8.716 -15.135
61 HZ3 LYS 9 3HZ LYS 9 -5.530 10.050 -14.283
62 H ALA 10 H ALA 10 -0.487 9.990 -17.389
63 HA ALA 10 HA ALA 10 1.763 9.294 -18.887
64 HB1 ALA 10 1HB ALA 10 0.406 11.136 -19.552
65 HB2 ALA 10 2HB ALA 10 1.917 11.665 -19.327
66 HB3 ALA 10 3HB ALA 10 0.789 11.938 -18.201
67 H ASP 11 H ASP 11 3.986 9.773 -18.519
68 HA ASP 11 HA ASP 11 4.804 9.868 -15.845
69 HB2 ASP 11 1HB ASP 11 6.267 10.131 -18.297
70 HB3 ASP 11 2HB ASP 11 7.017 10.304 -16.856
71 H GLY 12 H GLY 12 5.797 11.645 -14.702
72 HA2 GLY 12 1HA GLY 12 6.291 14.106 -15.190
73 HA3 GLY 12 2HA GLY 12 4.706 14.167 -15.579
74 H LEU 13 H LEU 13 4.715 15.823 -13.777
75 HA LEU 13 HA LEU 13 4.717 14.517 -11.231
76 HB2 LEU 13 1HB LEU 13 4.803 17.349 -11.721
77 HB3 LEU 13 2HB LEU 13 4.978 16.651 -10.255
78 HG LEU 13 HG LEU 13 6.927 16.619 -12.362
79 HD11 LEU 13 1HD1 LEU 13 8.223 17.949 -10.772
80 HD12 LEU 13 2HD1 LEU 13 7.001 17.873 -9.716
81 HD13 LEU 13 3HD1 LEU 13 6.830 18.704 -11.092
82 HD21 LEU 13 1HD2 LEU 13 8.372 15.464 -10.887
83 HD22 LEU 13 2HD2 LEU 13 7.064 14.570 -11.213
84 HD23 LEU 13 3HD2 LEU 13 7.180 15.348 -9.800
85 H TYR 14 H TYR 14 3.020 14.745 -9.707
86 HA TYR 14 HA TYR 14 0.599 15.875 -10.782
87 HB2 TYR 14 1HB TYR 14 0.870 13.300 -9.487
88 HB3 TYR 14 2HB TYR 14 -0.591 14.003 -9.683
89 HD1 TYR 14 HD1 TYR 14 2.100 12.402 -11.401
90 HD2 TYR 14 HD2 TYR 14 -1.719 13.965 -11.846
91 HE1 TYR 14 HE1 TYR 14 1.955 11.410 -13.588
92 HE2 TYR 14 HE2 TYR 14 -1.878 12.954 -14.044
93 HH TYR 14 HH TYR 14 0.073 10.617 -15.196
94 HA PRO 15 HA PRO 15 0.473 17.801 -6.953
95 HB2 PRO 15 1HB PRO 15 -2.122 18.450 -6.573
96 HB3 PRO 15 2HB PRO 15 -1.288 19.216 -7.750
97 HG2 PRO 15 1HG PRO 15 -2.994 16.940 -8.018
98 HG3 PRO 15 2HG PRO 15 -2.985 18.293 -8.932
99 HD2 PRO 15 1HD PRO 15 -1.776 16.161 -9.778
100 HD3 PRO 15 2HD PRO 15 -1.141 17.631 -10.098
101 H ASN 16 H ASN 16 0.600 17.463 -4.884
102 HA ASN 16 HA ASN 16 -0.657 15.088 -3.807
103 HB2 ASN 16 1HB ASN 16 1.626 15.556 -3.300
104 HB3 ASN 16 2HB ASN 16 1.154 16.917 -2.530
105 HD21 ASN 16 1HD2 ASN 16 1.363 13.591 -0.528
106 HD22 ASN 16 2HD2 ASN 16 2.143 13.930 -2.037
107 HA PRO 17 HA PRO 17 -3.812 17.832 -2.598
108 HB2 PRO 17 1HB PRO 17 -5.380 16.333 -1.018
109 HB3 PRO 17 2HB PRO 17 -5.314 15.976 -2.610
110 HG2 PRO 17 1HG PRO 17 -3.780 14.798 -0.504
111 HG3 PRO 17 2HG PRO 17 -4.669 14.025 -1.635
112 HD2 PRO 17 1HD PRO 17 -2.134 14.298 -2.018
113 HD3 PRO 17 2HD PRO 17 -3.144 14.462 -3.291
114 H ARG 18 H ARG 18 -1.857 16.490 -0.249
115 HA ARG 18 HA ARG 18 -2.847 18.263 1.770
116 HB2 ARG 18 1HB ARG 18 -2.339 15.879 2.249
117 HB3 ARG 18 2HB ARG 18 -0.760 16.262 2.089
118 HG2 ARG 18 1HG ARG 18 -1.098 17.824 3.969
119 HG3 ARG 18 2HG ARG 18 -2.523 17.064 4.215
120 HD2 ARG 18 1HD ARG 18 -1.332 14.998 4.446
121 HD3 ARG 18 2HD ARG 18 0.070 15.826 4.319
122 HE ARG 18 HE ARG 18 -1.466 16.897 6.387
123 HH11 ARG 18 1HH1 ARG 18 -0.925 16.523 8.515
124 HH12 ARG 18 2HH1 ARG 18 0.155 15.234 8.931
125 HH21 ARG 18 1HH2 ARG 18 0.631 14.167 5.688
126 HH22 ARG 18 2HH2 ARG 18 1.021 13.922 7.357
127 H GLU 19 H GLU 19 -0.076 17.707 -0.142
128 HA GLU 19 HA GLU 19 1.483 19.507 1.393
129 HB2 GLU 19 1HB GLU 19 2.214 17.963 -0.954
130 HB3 GLU 19 2HB GLU 19 3.298 18.812 -0.075
131 HG2 GLU 19 1HG GLU 19 1.833 16.541 0.919
132 HG3 GLU 19 2HG GLU 19 3.397 16.496 0.452
133 H ARG 20 H ARG 20 2.836 21.236 0.522
134 HA ARG 20 HA ARG 20 1.419 22.674 -1.538
135 HB2 ARG 20 1HB ARG 20 1.628 24.007 0.342
136 HB3 ARG 20 2HB ARG 20 3.170 23.532 0.591
137 HG2 ARG 20 1HG ARG 20 3.196 25.770 -0.004
138 HG3 ARG 20 2HG ARG 20 3.849 24.920 -1.236
139 HD2 ARG 20 1HD ARG 20 1.935 25.188 -2.527
140 HD3 ARG 20 2HD ARG 20 1.108 25.809 -1.263
141 HE ARG 20 HE ARG 20 3.109 27.545 -1.479
142 HH11 ARG 20 1HH1 ARG 20 0.807 26.350 -3.867
143 HH12 ARG 20 2HH1 ARG 20 0.888 27.811 -4.794
144 HH21 ARG 20 1HH2 ARG 20 3.154 29.372 -2.725
145 HH22 ARG 20 2HH2 ARG 20 2.190 29.485 -4.160
146 H SER 21 H SER 21 4.638 21.659 -0.755
147 HA SER 21 HA SER 21 5.408 22.384 -3.431
148 HB2 SER 21 1HB SER 21 7.172 22.177 -1.113
149 HB3 SER 21 2HB SER 21 7.686 22.623 -2.597
150 HG SER 21 HG SER 21 7.306 24.531 -1.969
151 H SER 22 H SER 22 5.294 19.801 -1.228
152 HA SER 22 HA SER 22 6.901 18.072 -2.776
153 HB2 SER 22 1HB SER 22 5.034 17.279 -0.719
154 HB3 SER 22 2HB SER 22 6.331 16.423 -1.222
155 HG SER 22 HG SER 22 6.773 18.922 -0.254
156 H PHE 23 H PHE 23 6.176 16.205 -3.994
157 HA PHE 23 HA PHE 23 3.511 16.477 -4.978
158 HB2 PHE 23 1HB PHE 23 4.429 16.429 -7.305
159 HB3 PHE 23 2HB PHE 23 4.699 17.829 -6.509
160 HD1 PHE 23 HD1 PHE 23 6.825 18.718 -6.464
161 HD2 PHE 23 HD2 PHE 23 6.361 14.654 -7.224
162 HE1 PHE 23 HE1 PHE 23 9.200 18.531 -6.855
163 HE2 PHE 23 HE2 PHE 23 8.732 14.456 -7.650
164 HZ PHE 23 HZ PHE 23 10.168 16.395 -7.448
165 H TYR 24 H TYR 24 2.914 14.797 -6.636
166 HA TYR 24 HA TYR 24 4.107 12.248 -6.005
167 HB2 TYR 24 1HB TYR 24 1.731 12.936 -7.459
168 HB3 TYR 24 2HB TYR 24 2.301 11.407 -7.406
169 HD1 TYR 24 HD1 TYR 24 2.559 10.392 -5.012
170 HD2 TYR 24 HD2 TYR 24 0.062 13.568 -5.940
171 HE1 TYR 24 HE1 TYR 24 1.287 9.964 -3.015
172 HE2 TYR 24 HE2 TYR 24 -1.254 13.090 -3.973
173 HH TYR 24 HH TYR 24 -1.737 11.188 -2.408
174 H SER 25 H SER 25 5.014 10.991 -7.822
175 HA SER 25 HA SER 25 5.304 12.396 -10.307
176 HB2 SER 25 1HB SER 25 7.285 12.989 -9.143
177 HB3 SER 25 2HB SER 25 7.560 11.427 -8.756
178 HG SER 25 HG SER 25 8.877 11.844 -10.399
179 H CYS 26 H CYS 26 5.500 11.094 -12.111
180 HA CYS 26 HA CYS 26 5.521 8.247 -11.595
181 HB2 CYS 26 1HB CYS 26 4.004 9.596 -13.590
182 HB3 CYS 26 2HB CYS 26 4.151 7.971 -13.503
183 H ALA 27 H ALA 27 7.020 7.084 -12.763
184 HA ALA 27 HA ALA 27 8.089 8.223 -15.165
185 HB1 ALA 27 1HB ALA 27 9.652 9.005 -13.543
186 HB2 ALA 27 2HB ALA 27 10.378 7.893 -14.465
187 HB3 ALA 27 3HB ALA 27 9.860 7.502 -12.984
188 H ALA 28 H ALA 28 7.946 6.614 -16.687
189 HA ALA 28 HA ALA 28 7.575 4.585 -17.494
190 HB1 ALA 28 1HB ALA 28 9.942 4.265 -17.080
191 HB2 ALA 28 2HB ALA 28 9.179 2.846 -16.950
192 HB3 ALA 28 3HB ALA 28 9.612 3.655 -15.619
193 H GLY 29 H GLY 29 5.784 5.420 -15.511
194 HA2 GLY 29 1HA GLY 29 3.954 4.496 -14.558
195 HA3 GLY 29 2HA GLY 29 4.452 3.004 -14.997
196 H ARG 30 H ARG 30 6.927 4.323 -13.322
197 HA ARG 30 HA ARG 30 6.258 2.844 -10.962
198 HB2 ARG 30 1HB ARG 30 8.694 4.293 -11.457
199 HB3 ARG 30 2HB ARG 30 8.468 3.187 -10.277
200 HG2 ARG 30 1HG ARG 30 8.619 2.603 -13.097
201 HG3 ARG 30 2HG ARG 30 9.767 2.238 -11.994
202 HD2 ARG 30 1HD ARG 30 8.273 0.674 -10.977
203 HD3 ARG 30 2HD ARG 30 7.153 1.020 -12.114
204 HE ARG 30 HE ARG 30 8.316 -0.143 -13.720
205 HH11 ARG 30 1HH1 ARG 30 10.043 -0.178 -10.644
206 HH12 ARG 30 2HH1 ARG 30 11.116 -1.429 -11.176
207 HH21 ARG 30 1HH2 ARG 30 9.737 -1.716 -14.308
208 HH22 ARG 30 2HH2 ARG 30 10.945 -2.277 -13.200
209 H LEU 31 H LEU 31 5.969 3.793 -8.872
210 HA LEU 31 HA LEU 31 5.204 6.526 -9.017
211 HB2 LEU 31 1HB LEU 31 4.170 4.522 -7.680
212 HB3 LEU 31 2HB LEU 31 5.069 5.206 -6.501
213 HG LEU 31 HG LEU 31 2.799 6.347 -7.802
214 HD11 LEU 31 1HD1 LEU 31 1.912 6.350 -5.483
215 HD12 LEU 31 2HD1 LEU 31 3.312 5.724 -4.968
216 HD13 LEU 31 3HD1 LEU 31 2.330 4.847 -5.907
217 HD21 LEU 31 1HD2 LEU 31 2.959 8.309 -6.506
218 HD22 LEU 31 2HD2 LEU 31 4.207 8.171 -7.525
219 HD23 LEU 31 3HD2 LEU 31 4.403 7.829 -5.957
220 H PHE 32 H PHE 32 6.328 8.252 -8.258
221 HA PHE 32 HA PHE 32 8.284 7.719 -6.187
222 HB2 PHE 32 1HB PHE 32 8.561 9.627 -8.320
223 HB3 PHE 32 2HB PHE 32 9.541 9.611 -7.014
224 HD1 PHE 32 HD1 PHE 32 8.572 7.685 -9.885
225 HD2 PHE 32 HD2 PHE 32 11.409 8.142 -6.885
226 HE1 PHE 32 HE1 PHE 32 9.991 6.085 -11.002
227 HE2 PHE 32 HE2 PHE 32 12.840 6.535 -7.974
228 HZ PHE 32 HZ PHE 32 12.150 5.522 -10.053
229 H GLN 33 H GLN 33 8.063 9.017 -4.325
230 HA GLN 33 HA GLN 33 6.147 11.231 -4.489
231 HB2 GLN 33 1HB GLN 33 6.537 9.530 -2.242
232 HB3 GLN 33 2HB GLN 33 5.552 10.832 -2.287
233 HG2 GLN 33 1HG GLN 33 4.225 9.721 -3.970
234 HG3 GLN 33 2HG GLN 33 5.172 8.401 -3.808
235 HE21 GLN 33 1HE2 GLN 33 3.249 7.009 -1.331
236 HE22 GLN 33 2HE2 GLN 33 4.305 6.780 -2.684
237 H GLN 34 H GLN 34 7.303 13.150 -4.306
238 HA GLN 34 HA GLN 34 9.744 13.052 -2.812
239 HB2 GLN 34 1HB GLN 34 9.629 13.956 -5.572
240 HB3 GLN 34 2HB GLN 34 10.971 14.054 -4.646
241 HG2 GLN 34 1HG GLN 34 11.185 11.722 -4.649
242 HG3 GLN 34 2HG GLN 34 9.785 11.570 -5.476
243 HE21 GLN 34 1HE2 GLN 34 13.136 11.822 -7.457
244 HE22 GLN 34 2HE2 GLN 34 12.995 11.478 -5.766
245 H SER 35 H SER 35 10.811 15.219 -2.537
246 HA SER 35 HA SER 35 8.733 17.181 -2.304
247 HB2 SER 35 1HB SER 35 10.146 18.146 -0.516
248 HB3 SER 35 2HB SER 35 9.689 16.616 -0.174
249 HG SER 35 HG SER 35 11.816 16.717 0.223
250 H CYS 36 H CYS 36 9.080 19.396 -2.759
251 HA CYS 36 HA CYS 36 11.435 19.939 -4.392
252 HB2 CYS 36 1HB CYS 36 8.985 20.249 -5.104
253 HB3 CYS 36 2HB CYS 36 9.347 21.736 -4.534
254 HA PRO 37 HA PRO 37 11.635 21.880 -0.461
255 HB2 PRO 37 1HB PRO 37 14.255 21.765 0.117
256 HB3 PRO 37 2HB PRO 37 13.431 20.359 0.015
257 HG2 PRO 37 1HG PRO 37 15.007 21.605 -2.030
258 HG3 PRO 37 2HG PRO 37 15.064 20.047 -1.544
259 HD2 PRO 37 1HD PRO 37 13.686 20.741 -3.641
260 HD3 PRO 37 2HD PRO 37 13.205 19.496 -2.700
261 H THR 38 H THR 38 14.673 23.291 -1.375
262 HA THR 38 HA THR 38 13.751 25.558 -0.098
263 HB THR 38 HB THR 38 16.087 26.325 -1.169
264 HG1 THR 38 HG1 THR 38 15.907 23.585 -1.362
265 HG21 THR 38 1HG2 THR 38 17.186 25.444 0.781
266 HG22 THR 38 2HG2 THR 38 15.924 24.476 1.074
267 HG23 THR 38 3HG2 THR 38 15.768 26.078 1.231
268 H GLY 39 H GLY 39 12.456 27.077 -0.787
269 HA2 GLY 39 1HA GLY 39 11.984 28.894 -2.029
270 HA3 GLY 39 2HA GLY 39 13.276 28.605 -2.985
271 H LEU 40 H LEU 40 11.231 25.988 -2.868
272 HA LEU 40 HA LEU 40 10.153 26.727 -5.432
273 HB2 LEU 40 1HB LEU 40 11.193 24.138 -4.633
274 HB3 LEU 40 2HB LEU 40 10.497 24.404 -6.086
275 HG LEU 40 HG LEU 40 12.916 25.739 -5.322
276 HD11 LEU 40 1HD1 LEU 40 14.135 24.062 -6.557
277 HD12 LEU 40 2HD1 LEU 40 12.765 23.237 -6.792
278 HD13 LEU 40 3HD1 LEU 40 13.377 23.380 -5.302
279 HD21 LEU 40 1HD2 LEU 40 13.171 26.088 -7.682
280 HD22 LEU 40 2HD2 LEU 40 11.775 26.726 -7.172
281 HD23 LEU 40 3HD2 LEU 40 11.780 25.308 -7.950
282 H VAL 41 H VAL 41 8.212 25.761 -6.191
283 HA VAL 41 HA VAL 41 6.594 24.556 -4.150
284 HB VAL 41 HB VAL 41 4.682 25.965 -4.791
285 HG11 VAL 41 1HG1 VAL 41 5.334 27.904 -3.510
286 HG12 VAL 41 2HG1 VAL 41 6.884 27.459 -3.625
287 HG13 VAL 41 3HG1 VAL 41 5.844 26.555 -2.779
288 HG21 VAL 41 1HG2 VAL 41 5.077 28.013 -6.005
289 HG22 VAL 41 2HG2 VAL 41 5.431 26.738 -6.935
290 HG23 VAL 41 3HG2 VAL 41 6.618 27.583 -6.234
291 H PHE 42 H PHE 42 4.654 23.337 -5.129
292 HA PHE 42 HA PHE 42 5.407 22.422 -7.698
293 HB2 PHE 42 1HB PHE 42 4.623 20.770 -6.250
294 HB3 PHE 42 2HB PHE 42 3.211 21.563 -6.045
295 HD1 PHE 42 HD1 PHE 42 5.159 20.137 -8.759
296 HD2 PHE 42 HD2 PHE 42 1.344 20.790 -7.249
297 HE1 PHE 42 HE1 PHE 42 4.222 19.021 -10.658
298 HE2 PHE 42 HE2 PHE 42 0.396 19.628 -9.150
299 HZ PHE 42 HZ PHE 42 1.846 18.735 -10.855
300 H SER 43 H SER 43 4.274 22.763 -9.663
301 HA SER 43 HA SER 43 1.979 24.489 -9.502
302 HB2 SER 43 1HB SER 43 3.809 25.791 -10.338
303 HB3 SER 43 2HB SER 43 4.059 24.700 -11.527
304 HG SER 43 HG SER 43 2.037 25.185 -12.365
305 H ASN 44 H ASN 44 0.231 23.313 -9.959
306 HA ASN 44 HA ASN 44 0.377 21.018 -11.475
307 HB2 ASN 44 1HB ASN 44 -1.389 21.449 -9.842
308 HB3 ASN 44 2HB ASN 44 -2.016 22.579 -10.841
309 HD21 ASN 44 1HD2 ASN 44 -4.228 20.344 -12.178
310 HD22 ASN 44 2HD2 ASN 44 -3.926 21.926 -11.540
311 H SER 45 H SER 45 -0.099 24.236 -12.468
312 HA SER 45 HA SER 45 -1.447 23.738 -14.817
313 HB2 SER 45 1HB SER 45 -0.599 26.025 -15.448
314 HB3 SER 45 2HB SER 45 -1.392 25.977 -14.021
315 HG SER 45 HG SER 45 0.375 26.254 -12.933
316 H CYS 46 H CYS 46 1.921 23.578 -14.139
317 HA CYS 46 HA CYS 46 2.440 23.001 -16.907
318 HB2 CYS 46 1HB CYS 46 4.717 23.379 -16.415
319 HB3 CYS 46 2HB CYS 46 3.791 24.680 -16.069
320 H LYS 47 H LYS 47 1.723 21.402 -14.235
321 HA LYS 47 HA LYS 47 2.238 19.439 -13.320
322 HB2 LYS 47 1HB LYS 47 3.082 18.579 -15.951
323 HB3 LYS 47 2HB LYS 47 2.750 17.558 -14.720
324 HG2 LYS 47 1HG LYS 47 0.789 19.247 -15.956
325 HG3 LYS 47 2HG LYS 47 0.985 17.665 -16.311
326 HD2 LYS 47 1HD LYS 47 0.455 17.119 -14.053
327 HD3 LYS 47 2HD LYS 47 0.195 18.702 -13.749
328 HE2 LYS 47 1HE LYS 47 -1.585 18.714 -15.298
329 HE3 LYS 47 2HE LYS 47 -1.318 17.136 -15.624
330 HZ1 LYS 47 1HZ LYS 47 -3.077 17.358 -14.044
331 HZ2 LYS 47 2HZ LYS 47 -2.087 18.156 -13.045
332 HZ3 LYS 47 3HZ LYS 47 -1.823 16.594 -13.368
333 H CYS 48 H CYS 48 4.158 21.369 -12.982
334 HA CYS 48 HA CYS 48 6.581 19.868 -12.847
335 HB2 CYS 48 1HB CYS 48 7.836 21.303 -14.001
336 HB3 CYS 48 2HB CYS 48 6.495 21.090 -14.910
337 H CYS 49 H CYS 49 8.335 21.018 -11.568
338 HA CYS 49 HA CYS 49 7.083 22.420 -9.383
339 HB2 CYS 49 1HB CYS 49 8.472 20.664 -8.834
340 HB3 CYS 49 2HB CYS 49 9.715 21.391 -9.605
341 H THR 50 H THR 50 7.589 24.609 -8.892
342 HA THR 50 HA THR 50 9.385 25.838 -10.703
343 HB THR 50 HB THR 50 7.766 27.730 -11.108
344 HG1 THR 50 HG1 THR 50 5.538 27.040 -10.421
345 HG21 THR 50 1HG2 THR 50 6.213 26.616 -12.477
346 HG22 THR 50 2HG2 THR 50 6.584 25.202 -11.786
347 HG23 THR 50 3HG2 THR 50 7.676 25.964 -12.703
348 H TRP 51 H TRP 51 9.951 28.147 -10.166
349 HA TRP 51 HA TRP 51 10.382 28.638 -7.466
350 HB2 TRP 51 1HB TRP 51 10.350 30.390 -9.749
351 HB3 TRP 51 2HB TRP 51 10.737 30.938 -8.260
352 HD1 TRP 51 HD1 TRP 51 12.098 28.460 -10.747
353 HE1 TRP 51 HE1 TRP 51 14.580 28.191 -10.560
354 HE3 TRP 51 HE3 TRP 51 12.739 31.448 -6.786
355 HZ2 TRP 51 HZ2 TRP 51 16.551 29.249 -8.842
356 HZ3 TRP 51 HZ3 TRP 51 14.981 31.783 -5.922
357 HH2 TRP 51 HH2 TRP 51 16.863 30.687 -6.965
358 H ASN 52 H ASN 52 9.274 30.458 -6.178
359 HA ASN 52 HA ASN 52 6.553 30.240 -6.162
360 HB2 ASN 52 1HB ASN 52 7.933 31.275 -4.417
361 HB3 ASN 52 2HB ASN 52 7.924 32.640 -5.315
362 HD21 ASN 52 1HD2 ASN 52 5.352 33.433 -3.047
363 HD22 ASN 52 2HD2 ASN 52 7.066 33.536 -3.274
364 H GLY 53 H GLY 53 4.846 31.139 -7.300
365 HA2 GLY 53 1HA GLY 53 5.588 32.066 -9.833
366 HA3 GLY 53 2HA GLY 53 4.075 31.721 -9.326
367 H LEU 54 H LEU 54 6.292 34.225 -8.309
368 HA LEU 54 HA LEU 54 4.335 36.247 -8.545
369 HB2 LEU 54 1HB LEU 54 6.173 36.320 -7.005
370 HB3 LEU 54 2HB LEU 54 7.162 36.608 -8.272
371 HG LEU 54 HG LEU 54 5.029 38.435 -7.920
372 HD11 LEU 54 1HD1 LEU 54 6.234 39.655 -6.206
373 HD12 LEU 54 2HD1 LEU 54 7.344 38.480 -6.154
374 HD13 LEU 54 3HD1 LEU 54 5.833 38.187 -5.658
375 HD21 LEU 54 1HD2 LEU 54 6.610 40.045 -8.657
376 HD22 LEU 54 2HD2 LEU 54 6.520 38.819 -9.707
377 HD23 LEU 54 3HD2 LEU 54 7.764 38.912 -8.678
378 H VAL 55 H VAL 55 3.682 37.299 -10.377
379 HA VAL 55 HA VAL 55 4.971 36.648 -12.787
380 HB VAL 55 HB VAL 55 2.776 38.527 -12.410
381 HG11 VAL 55 1HG1 VAL 55 2.328 38.283 -14.751
382 HG12 VAL 55 2HG1 VAL 55 3.625 37.331 -14.906
383 HG13 VAL 55 3HG1 VAL 55 3.809 38.893 -14.533
384 HG21 VAL 55 1HG2 VAL 55 1.326 36.717 -13.085
385 HG22 VAL 55 2HG2 VAL 55 2.137 36.299 -11.749
386 HG23 VAL 55 3HG2 VAL 55 2.602 35.730 -13.190
387 HA PRO 56 HA PRO 56 7.427 40.255 -12.425
388 HB2 PRO 56 1HB PRO 56 9.571 39.575 -13.826
389 HB3 PRO 56 2HB PRO 56 9.230 38.639 -12.532
390 HG2 PRO 56 1HG PRO 56 8.531 38.146 -15.275
391 HG3 PRO 56 2HG PRO 56 9.203 37.095 -14.220
392 HD2 PRO 56 1HD PRO 56 6.598 37.158 -14.690
393 HD3 PRO 56 2HD PRO 56 7.217 36.594 -13.288
394 H ARG 57 H ARG 57 5.560 39.833 -14.847
395 HA ARG 57 HA ARG 57 6.426 42.189 -16.224
396 HB2 ARG 57 1HB ARG 57 6.407 41.177 -18.386
397 HB3 ARG 57 2HB ARG 57 7.568 40.510 -17.451
398 HG2 ARG 57 1HG ARG 57 6.249 38.612 -17.102
399 HG3 ARG 57 2HG ARG 57 5.011 39.288 -17.923
400 HD2 ARG 57 1HD ARG 57 6.455 39.323 -19.888
401 HD3 ARG 57 2HD ARG 57 7.523 38.425 -19.040
402 HE ARG 57 HE ARG 57 6.255 36.547 -19.305
403 HH11 ARG 57 1HH1 ARG 57 4.636 35.392 -20.311
404 HH12 ARG 57 2HH1 ARG 57 3.304 36.211 -21.055
405 HH21 ARG 57 1HH2 ARG 57 4.428 39.379 -20.337
406 HH22 ARG 57 2HH2 ARG 57 3.187 38.419 -21.070
Start of MODEL 3
1 H1 GLY 1 1H GLY 1 2.518 -5.883 -5.444
2 H2 GLY 1 2H GLY 1 1.578 -4.570 -5.350
3 H3 GLY 1 3H GLY 1 3.102 -4.515 -4.810
4 HA2 GLY 1 1HA GLY 1 3.902 -4.799 -7.015
5 HA3 GLY 1 2HA GLY 1 2.364 -4.854 -7.561
6 H SER 2 H SER 2 3.374 -3.026 -8.978
7 HA SER 2 HA SER 2 3.734 -0.549 -7.739
8 HB2 SER 2 1HB SER 2 4.512 -0.933 -9.987
9 HB3 SER 2 2HB SER 2 2.965 -0.985 -10.507
10 HG SER 2 HG SER 2 3.518 1.010 -10.926
11 HA PRO 3 HA PRO 3 -0.502 0.191 -7.056
12 HB2 PRO 3 1HB PRO 3 -0.657 2.797 -6.539
13 HB3 PRO 3 2HB PRO 3 0.101 1.837 -5.457
14 HG2 PRO 3 1HG PRO 3 1.289 3.398 -7.534
15 HG3 PRO 3 2HG PRO 3 1.719 3.343 -5.960
16 HD2 PRO 3 1HD PRO 3 3.017 1.917 -7.704
17 HD3 PRO 3 2HD PRO 3 2.771 1.330 -6.200
18 H THR 4 H THR 4 -2.459 0.838 -7.934
19 HA THR 4 HA THR 4 -2.322 1.249 -10.677
20 HB THR 4 HB THR 4 -4.816 1.532 -10.446
21 HG1 THR 4 HG1 THR 4 -5.682 1.494 -8.506
22 HG21 THR 4 1HG2 THR 4 -5.173 -0.770 -9.837
23 HG22 THR 4 2HG2 THR 4 -3.686 -0.851 -9.207
24 HG23 THR 4 3HG2 THR 4 -3.879 -0.692 -10.805
25 H PHE 5 H PHE 5 -2.128 3.313 -8.146
26 HA PHE 5 HA PHE 5 -3.284 5.624 -8.989
27 HB2 PHE 5 1HB PHE 5 -2.282 5.259 -6.811
28 HB3 PHE 5 2HB PHE 5 -0.801 5.274 -7.499
29 HD1 PHE 5 HD1 PHE 5 0.313 7.342 -8.046
30 HD2 PHE 5 HD2 PHE 5 -3.527 7.355 -6.456
31 HE1 PHE 5 HE1 PHE 5 0.554 9.679 -7.516
32 HE2 PHE 5 HE2 PHE 5 -3.314 9.708 -5.957
33 HZ PHE 5 HZ PHE 5 -1.260 10.864 -6.474
34 H CYS 6 H CYS 6 -0.232 4.337 -9.971
35 HA CYS 6 HA CYS 6 0.184 6.654 -11.631
36 HB2 CYS 6 1HB CYS 6 1.872 6.056 -10.046
37 HB3 CYS 6 2HB CYS 6 2.097 4.665 -10.873
38 H GLN 7 H GLN 7 -0.818 3.528 -11.868
39 HA GLN 7 HA GLN 7 0.276 2.889 -14.364
40 HB2 GLN 7 1HB GLN 7 -1.827 1.847 -12.761
41 HB3 GLN 7 2HB GLN 7 -1.599 1.268 -14.271
42 HG2 GLN 7 1HG GLN 7 0.590 0.571 -13.675
43 HG3 GLN 7 2HG GLN 7 0.364 1.153 -12.165
44 HE21 GLN 7 1HE2 GLN 7 -0.862 -1.799 -10.945
45 HE22 GLN 7 2HE2 GLN 7 -0.007 -0.320 -10.660
46 H GLY 8 H GLY 8 -0.306 3.527 -16.388
47 HA2 GLY 8 1HA GLY 8 -1.757 4.313 -17.968
48 HA3 GLY 8 2HA GLY 8 -2.973 4.348 -16.878
49 H LYS 9 H LYS 9 -0.417 5.933 -15.573
50 HA LYS 9 HA LYS 9 -1.552 8.477 -16.228
51 HB2 LYS 9 1HB LYS 9 0.425 7.837 -14.271
52 HB3 LYS 9 2HB LYS 9 -0.138 9.349 -14.527
53 HG2 LYS 9 1HG LYS 9 -1.641 7.123 -13.604
54 HG3 LYS 9 2HG LYS 9 -1.222 8.434 -12.725
55 HD2 LYS 9 1HD LYS 9 -2.676 9.764 -14.125
56 HD3 LYS 9 2HD LYS 9 -3.172 8.387 -14.849
57 HE2 LYS 9 1HE LYS 9 -3.934 7.580 -12.724
58 HE3 LYS 9 2HE LYS 9 -3.507 9.006 -12.053
59 HZ1 LYS 9 1HZ LYS 9 -5.832 8.986 -12.518
60 HZ2 LYS 9 2HZ LYS 9 -5.527 8.705 -14.081
61 HZ3 LYS 9 3HZ LYS 9 -5.105 10.117 -13.416
62 H ALA 10 H ALA 10 -0.462 10.152 -17.328
63 HA ALA 10 HA ALA 10 1.805 9.452 -18.839
64 HB1 ALA 10 1HB ALA 10 0.381 11.162 -19.658
65 HB2 ALA 10 2HB ALA 10 1.852 11.796 -19.435
66 HB3 ALA 10 3HB ALA 10 0.678 12.077 -18.359
67 H ASP 11 H ASP 11 4.033 10.016 -18.392
68 HA ASP 11 HA ASP 11 4.725 10.247 -15.713
69 HB2 ASP 11 1HB ASP 11 6.260 10.537 -18.107
70 HB3 ASP 11 2HB ASP 11 6.948 10.880 -16.666
71 H GLY 12 H GLY 12 5.487 12.073 -14.486
72 HA2 GLY 12 1HA GLY 12 5.881 14.568 -14.987
73 HA3 GLY 12 2HA GLY 12 4.307 14.526 -15.421
74 H LEU 13 H LEU 13 4.475 16.278 -13.562
75 HA LEU 13 HA LEU 13 4.331 14.922 -11.062
76 HB2 LEU 13 1HB LEU 13 4.531 17.771 -11.528
77 HB3 LEU 13 2HB LEU 13 4.601 17.091 -10.044
78 HG LEU 13 HG LEU 13 6.644 16.976 -12.052
79 HD11 LEU 13 1HD1 LEU 13 7.910 18.188 -10.361
80 HD12 LEU 13 2HD1 LEU 13 6.630 18.137 -9.374
81 HD13 LEU 13 3HD1 LEU 13 6.570 19.014 -10.731
82 HD21 LEU 13 1HD2 LEU 13 7.970 15.709 -10.577
83 HD22 LEU 13 2HD2 LEU 13 6.643 14.886 -10.996
84 HD23 LEU 13 3HD2 LEU 13 6.730 15.595 -9.545
85 H TYR 14 H TYR 14 2.663 14.945 -9.609
86 HA TYR 14 HA TYR 14 0.214 16.236 -10.480
87 HB2 TYR 14 1HB TYR 14 0.457 13.598 -9.324
88 HB3 TYR 14 2HB TYR 14 -0.978 14.333 -9.581
89 HD1 TYR 14 HD1 TYR 14 1.809 12.816 -11.207
90 HD2 TYR 14 HD2 TYR 14 -1.998 14.350 -11.800
91 HE1 TYR 14 HE1 TYR 14 1.805 11.905 -13.443
92 HE2 TYR 14 HE2 TYR 14 -2.027 13.410 -14.037
93 HH TYR 14 HH TYR 14 -0.112 11.112 -15.151
94 HA PRO 15 HA PRO 15 0.483 17.990 -6.556
95 HB2 PRO 15 1HB PRO 15 -2.018 18.798 -5.988
96 HB3 PRO 15 2HB PRO 15 -1.196 19.555 -7.180
97 HG2 PRO 15 1HG PRO 15 -3.078 17.425 -7.443
98 HG3 PRO 15 2HG PRO 15 -3.034 18.827 -8.280
99 HD2 PRO 15 1HD PRO 15 -2.029 16.686 -9.336
100 HD3 PRO 15 2HD PRO 15 -1.293 18.122 -9.589
101 H ASN 16 H ASN 16 0.403 17.768 -4.362
102 HA ASN 16 HA ASN 16 -0.686 15.235 -3.582
103 HB2 ASN 16 1HB ASN 16 1.659 15.807 -3.113
104 HB3 ASN 16 2HB ASN 16 1.106 16.889 -2.022
105 HD21 ASN 16 1HD2 ASN 16 1.564 13.109 -1.019
106 HD22 ASN 16 2HD2 ASN 16 2.117 13.802 -2.507
107 HA PRO 17 HA PRO 17 -3.740 17.460 -1.454
108 HB2 PRO 17 1HB PRO 17 -5.210 15.530 -0.330
109 HB3 PRO 17 2HB PRO 17 -5.185 15.599 -1.961
110 HG2 PRO 17 1HG PRO 17 -3.548 13.975 -0.267
111 HG3 PRO 17 2HG PRO 17 -4.435 13.489 -1.549
112 HD2 PRO 17 1HD PRO 17 -1.895 13.983 -1.836
113 HD3 PRO 17 2HD PRO 17 -2.934 14.324 -3.049
114 H ARG 18 H ARG 18 -1.585 15.568 0.277
115 HA ARG 18 HA ARG 18 -2.611 16.421 2.779
116 HB2 ARG 18 1HB ARG 18 -1.612 14.175 2.395
117 HB3 ARG 18 2HB ARG 18 -0.156 14.915 2.376
118 HG2 ARG 18 1HG ARG 18 -0.703 15.656 4.681
119 HG3 ARG 18 2HG ARG 18 -1.875 14.520 4.640
120 HD2 ARG 18 1HD ARG 18 -0.058 12.931 4.034
121 HD3 ARG 18 2HD ARG 18 0.964 14.092 4.560
122 HE ARG 18 HE ARG 18 -0.679 12.412 6.165
123 HH11 ARG 18 1HH1 ARG 18 -0.384 12.411 8.338
124 HH12 ARG 18 2HH1 ARG 18 0.549 13.648 9.112
125 HH21 ARG 18 1HH2 ARG 18 1.311 15.333 6.222
126 HH22 ARG 18 2HH2 ARG 18 1.485 15.260 7.943
127 H GLU 19 H GLU 19 0.129 17.071 0.805
128 HA GLU 19 HA GLU 19 1.018 18.956 2.769
129 HB2 GLU 19 1HB GLU 19 2.693 17.521 0.897
130 HB3 GLU 19 2HB GLU 19 3.270 18.604 1.974
131 HG2 GLU 19 1HG GLU 19 2.101 16.081 2.631
132 HG3 GLU 19 2HG GLU 19 3.692 16.440 2.716
133 H ARG 20 H ARG 20 1.955 20.939 2.197
134 HA ARG 20 HA ARG 20 0.737 22.108 0.012
135 HB2 ARG 20 1HB ARG 20 1.598 23.161 2.147
136 HB3 ARG 20 2HB ARG 20 3.036 23.250 1.379
137 HG2 ARG 20 1HG ARG 20 0.733 24.499 0.297
138 HG3 ARG 20 2HG ARG 20 1.637 25.251 1.430
139 HD2 ARG 20 1HD ARG 20 3.514 25.217 -0.055
140 HD3 ARG 20 2HD ARG 20 2.595 24.487 -1.191
141 HE ARG 20 HE ARG 20 2.549 27.245 -0.480
142 HH11 ARG 20 1HH1 ARG 20 0.836 24.704 -2.231
143 HH12 ARG 20 2HH1 ARG 20 -0.073 25.848 -3.161
144 HH21 ARG 20 1HH2 ARG 20 1.336 28.631 -1.695
145 HH22 ARG 20 2HH2 ARG 20 0.206 28.030 -2.862
146 H SER 21 H SER 21 4.091 21.506 0.540
147 HA SER 21 HA SER 21 4.600 22.195 -2.164
148 HB2 SER 21 1HB SER 21 6.586 21.839 -0.020
149 HB3 SER 21 2HB SER 21 6.901 22.586 -1.438
150 HG SER 21 HG SER 21 5.657 24.277 -0.885
151 H SER 22 H SER 22 3.841 19.396 -1.103
152 HA SER 22 HA SER 22 5.999 18.042 -2.431
153 HB2 SER 22 1HB SER 22 5.543 16.102 -1.294
154 HB3 SER 22 2HB SER 22 5.224 17.249 -0.175
155 HG SER 22 HG SER 22 3.027 17.119 -0.920
156 H PHE 23 H PHE 23 5.436 16.094 -3.775
157 HA PHE 23 HA PHE 23 2.964 16.402 -5.137
158 HB2 PHE 23 1HB PHE 23 4.135 16.454 -7.313
159 HB3 PHE 23 2HB PHE 23 4.322 17.823 -6.441
160 HD1 PHE 23 HD1 PHE 23 6.418 18.687 -6.092
161 HD2 PHE 23 HD2 PHE 23 6.061 14.685 -7.125
162 HE1 PHE 23 HE1 PHE 23 8.816 18.520 -6.244
163 HE2 PHE 23 HE2 PHE 23 8.455 14.511 -7.317
164 HZ PHE 23 HZ PHE 23 9.841 16.429 -6.857
165 H TYR 24 H TYR 24 2.684 14.722 -6.866
166 HA TYR 24 HA TYR 24 3.969 12.237 -6.122
167 HB2 TYR 24 1HB TYR 24 1.629 12.689 -7.724
168 HB3 TYR 24 2HB TYR 24 2.271 11.214 -7.442
169 HD1 TYR 24 HD1 TYR 24 2.255 10.319 -5.071
170 HD2 TYR 24 HD2 TYR 24 0.031 13.623 -6.237
171 HE1 TYR 24 HE1 TYR 24 0.847 10.049 -3.132
172 HE2 TYR 24 HE2 TYR 24 -1.403 13.331 -4.318
173 HH TYR 24 HH TYR 24 -2.118 11.428 -2.768
174 H SER 25 H SER 25 5.332 11.291 -7.736
175 HA SER 25 HA SER 25 5.472 12.717 -10.244
176 HB2 SER 25 1HB SER 25 7.440 13.236 -8.980
177 HB3 SER 25 2HB SER 25 7.747 11.644 -8.786
178 HG SER 25 HG SER 25 9.022 12.337 -10.391
179 H CYS 26 H CYS 26 4.881 11.438 -11.914
180 HA CYS 26 HA CYS 26 5.229 8.592 -11.606
181 HB2 CYS 26 1HB CYS 26 3.659 10.160 -13.307
182 HB3 CYS 26 2HB CYS 26 4.141 8.699 -13.854
183 H ALA 27 H ALA 27 6.971 7.597 -12.487
184 HA ALA 27 HA ALA 27 8.269 8.792 -14.754
185 HB1 ALA 27 1HB ALA 27 9.532 9.666 -12.915
186 HB2 ALA 27 2HB ALA 27 10.454 8.609 -13.719
187 HB3 ALA 27 3HB ALA 27 9.750 8.174 -12.329
188 H ALA 28 H ALA 28 8.288 7.208 -16.266
189 HA ALA 28 HA ALA 28 8.208 5.179 -17.118
190 HB1 ALA 28 1HB ALA 28 10.554 5.083 -16.469
191 HB2 ALA 28 2HB ALA 28 9.932 3.591 -16.448
192 HB3 ALA 28 3HB ALA 28 10.142 4.399 -15.063
193 H GLY 29 H GLY 29 6.125 5.733 -15.312
194 HA2 GLY 29 1HA GLY 29 4.374 4.542 -14.512
195 HA3 GLY 29 2HA GLY 29 5.089 3.151 -14.982
196 H ARG 30 H ARG 30 7.062 4.930 -12.983
197 HA ARG 30 HA ARG 30 6.383 3.296 -10.688
198 HB2 ARG 30 1HB ARG 30 8.818 4.780 -11.071
199 HB3 ARG 30 2HB ARG 30 8.531 3.715 -9.867
200 HG2 ARG 30 1HG ARG 30 8.908 3.035 -12.638
201 HG3 ARG 30 2HG ARG 30 9.966 2.729 -11.432
202 HD2 ARG 30 1HD ARG 30 8.209 1.303 -10.449
203 HD3 ARG 30 2HD ARG 30 7.445 1.423 -11.887
204 HE ARG 30 HE ARG 30 9.769 -0.119 -11.317
205 HH11 ARG 30 1HH1 ARG 30 10.478 -1.545 -12.838
206 HH12 ARG 30 2HH1 ARG 30 9.896 -1.468 -14.467
207 HH21 ARG 30 1HH2 ARG 30 7.799 1.200 -13.933
208 HH22 ARG 30 2HH2 ARG 30 8.413 0.051 -15.074
209 H LEU 31 H LEU 31 5.995 4.338 -8.644
210 HA LEU 31 HA LEU 31 5.274 7.097 -8.991
211 HB2 LEU 31 1HB LEU 31 3.660 5.317 -8.241
212 HB3 LEU 31 2HB LEU 31 4.386 5.471 -6.786
213 HG LEU 31 HG LEU 31 2.471 7.108 -7.999
214 HD11 LEU 31 1HD1 LEU 31 1.749 7.303 -5.640
215 HD12 LEU 31 2HD1 LEU 31 3.086 6.513 -5.189
216 HD13 LEU 31 3HD1 LEU 31 1.942 5.747 -6.038
217 HD21 LEU 31 1HD2 LEU 31 2.933 9.087 -6.809
218 HD22 LEU 31 2HD2 LEU 31 4.070 8.772 -7.915
219 HD23 LEU 31 3HD2 LEU 31 4.359 8.476 -6.352
220 H PHE 32 H PHE 32 6.826 8.500 -8.364
221 HA PHE 32 HA PHE 32 8.190 7.947 -5.890
222 HB2 PHE 32 1HB PHE 32 8.776 9.913 -7.907
223 HB3 PHE 32 2HB PHE 32 9.597 9.822 -6.498
224 HD1 PHE 32 HD1 PHE 32 8.842 7.910 -9.460
225 HD2 PHE 32 HD2 PHE 32 11.486 8.411 -6.295
226 HE1 PHE 32 HE1 PHE 32 10.355 6.346 -10.497
227 HE2 PHE 32 HE2 PHE 32 13.003 6.820 -7.301
228 HZ PHE 32 HZ PHE 32 12.441 5.792 -9.415
229 H GLN 33 H GLN 33 7.700 9.148 -4.000
230 HA GLN 33 HA GLN 33 5.836 11.375 -4.347
231 HB2 GLN 33 1HB GLN 33 6.109 9.632 -2.097
232 HB3 GLN 33 2HB GLN 33 5.170 10.967 -2.101
233 HG2 GLN 33 1HG GLN 33 3.812 10.012 -3.805
234 HG3 GLN 33 2HG GLN 33 4.756 8.679 -3.814
235 HE21 GLN 33 1HE2 GLN 33 3.099 7.049 -1.291
236 HE22 GLN 33 2HE2 GLN 33 4.278 6.982 -2.557
237 H GLN 34 H GLN 34 6.961 13.286 -4.284
238 HA GLN 34 HA GLN 34 9.196 13.516 -2.478
239 HB2 GLN 34 1HB GLN 34 9.402 13.877 -5.337
240 HB3 GLN 34 2HB GLN 34 10.546 14.429 -4.310
241 HG2 GLN 34 1HG GLN 34 11.097 12.238 -3.689
242 HG3 GLN 34 2HG GLN 34 9.886 11.645 -4.611
243 HE21 GLN 34 1HE2 GLN 34 13.442 12.025 -6.178
244 HE22 GLN 34 2HE2 GLN 34 13.083 12.043 -4.484
245 H SER 35 H SER 35 10.163 15.964 -2.871
246 HA SER 35 HA SER 35 7.901 17.671 -3.216
247 HB2 SER 35 1HB SER 35 8.464 18.879 -1.140
248 HB3 SER 35 2HB SER 35 8.124 17.316 -0.809
249 HG SER 35 HG SER 35 9.948 17.794 0.256
250 H CYS 36 H CYS 36 8.322 20.000 -3.336
251 HA CYS 36 HA CYS 36 10.956 20.563 -4.411
252 HB2 CYS 36 1HB CYS 36 8.428 21.165 -5.388
253 HB3 CYS 36 2HB CYS 36 9.450 22.439 -5.391
254 HA PRO 37 HA PRO 37 10.034 23.154 -0.903
255 HB2 PRO 37 1HB PRO 37 12.112 22.711 0.743
256 HB3 PRO 37 2HB PRO 37 10.954 21.565 0.619
257 HG2 PRO 37 1HG PRO 37 13.502 21.633 -0.672
258 HG3 PRO 37 2HG PRO 37 12.742 20.343 -0.021
259 HD2 PRO 37 1HD PRO 37 12.722 20.869 -2.628
260 HD3 PRO 37 2HD PRO 37 11.590 19.944 -1.902
261 H THR 38 H THR 38 13.511 23.372 -1.196
262 HA THR 38 HA THR 38 13.263 26.097 -0.700
263 HB THR 38 HB THR 38 15.866 25.732 -1.342
264 HG1 THR 38 HG1 THR 38 14.680 23.315 -0.921
265 HG21 THR 38 1HG2 THR 38 16.272 25.359 0.999
266 HG22 THR 38 2HG2 THR 38 14.716 24.981 1.225
267 HG23 THR 38 3HG2 THR 38 15.134 26.498 0.851
268 H GLY 39 H GLY 39 12.743 27.668 -2.083
269 HA2 GLY 39 1HA GLY 39 13.125 28.970 -3.892
270 HA3 GLY 39 2HA GLY 39 14.395 28.033 -4.314
271 H LEU 40 H LEU 40 11.560 26.297 -4.005
272 HA LEU 40 HA LEU 40 11.106 26.405 -6.844
273 HB2 LEU 40 1HB LEU 40 11.432 24.003 -5.266
274 HB3 LEU 40 2HB LEU 40 10.902 23.972 -6.811
275 HG LEU 40 HG LEU 40 13.543 24.864 -6.112
276 HD11 LEU 40 1HD1 LEU 40 14.323 22.684 -6.796
277 HD12 LEU 40 2HD1 LEU 40 12.793 22.201 -7.003
278 HD13 LEU 40 3HD1 LEU 40 13.339 22.543 -5.520
279 HD21 LEU 40 1HD2 LEU 40 14.025 24.566 -8.440
280 HD22 LEU 40 2HD2 LEU 40 12.828 25.636 -8.254
281 HD23 LEU 40 3HD2 LEU 40 12.494 24.120 -8.706
282 H VAL 41 H VAL 41 9.015 25.732 -7.601
283 HA VAL 41 HA VAL 41 7.059 25.286 -5.566
284 HB VAL 41 HB VAL 41 5.485 26.867 -6.635
285 HG11 VAL 41 1HG1 VAL 41 6.407 28.864 -5.655
286 HG12 VAL 41 2HG1 VAL 41 7.850 28.143 -5.538
287 HG13 VAL 41 3HG1 VAL 41 6.605 27.611 -4.652
288 HG21 VAL 41 1HG2 VAL 41 6.348 28.537 -8.142
289 HG22 VAL 41 2HG2 VAL 41 6.519 27.066 -8.790
290 HG23 VAL 41 3HG2 VAL 41 7.792 27.810 -8.127
291 H PHE 42 H PHE 42 5.021 24.236 -6.448
292 HA PHE 42 HA PHE 42 5.659 22.789 -8.832
293 HB2 PHE 42 1HB PHE 42 4.834 21.414 -7.147
294 HB3 PHE 42 2HB PHE 42 3.546 22.389 -6.905
295 HD1 PHE 42 HD1 PHE 42 4.835 20.885 -9.975
296 HD2 PHE 42 HD2 PHE 42 1.602 21.175 -7.370
297 HE1 PHE 42 HE1 PHE 42 3.488 19.605 -11.505
298 HE2 PHE 42 HE2 PHE 42 0.272 19.840 -8.876
299 HZ PHE 42 HZ PHE 42 1.219 19.046 -10.938
300 H SER 43 H SER 43 4.907 23.292 -10.824
301 HA SER 43 HA SER 43 2.664 25.096 -10.963
302 HB2 SER 43 1HB SER 43 4.577 25.943 -12.087
303 HB3 SER 43 2HB SER 43 4.669 24.589 -12.995
304 HG SER 43 HG SER 43 3.665 25.887 -14.308
305 H ASN 44 H ASN 44 0.892 23.753 -10.841
306 HA ASN 44 HA ASN 44 0.781 21.293 -12.045
307 HB2 ASN 44 1HB ASN 44 -0.771 21.999 -10.335
308 HB3 ASN 44 2HB ASN 44 -1.487 22.995 -11.413
309 HD21 ASN 44 1HD2 ASN 44 -3.831 20.654 -12.264
310 HD22 ASN 44 2HD2 ASN 44 -3.442 22.310 -11.934
311 H SER 45 H SER 45 0.209 24.374 -13.339
312 HA SER 45 HA SER 45 -1.205 23.643 -15.578
313 HB2 SER 45 1HB SER 45 0.236 25.879 -16.221
314 HB3 SER 45 2HB SER 45 -1.258 25.903 -15.560
315 HG SER 45 HG SER 45 0.322 27.050 -14.356
316 H CYS 46 H CYS 46 2.196 23.580 -15.012
317 HA CYS 46 HA CYS 46 2.602 22.838 -17.761
318 HB2 CYS 46 1HB CYS 46 4.701 23.490 -17.656
319 HB3 CYS 46 2HB CYS 46 3.935 24.568 -16.697
320 H LYS 47 H LYS 47 2.110 21.476 -14.883
321 HA LYS 47 HA LYS 47 2.358 19.436 -14.042
322 HB2 LYS 47 1HB LYS 47 1.935 18.912 -16.614
323 HB3 LYS 47 2HB LYS 47 3.255 18.005 -16.290
324 HG2 LYS 47 1HG LYS 47 1.366 16.686 -16.038
325 HG3 LYS 47 2HG LYS 47 2.041 16.908 -14.567
326 HD2 LYS 47 1HD LYS 47 0.429 18.637 -14.118
327 HD3 LYS 47 2HD LYS 47 -0.271 18.334 -15.563
328 HE2 LYS 47 1HE LYS 47 -0.910 16.209 -14.859
329 HE3 LYS 47 2HE LYS 47 -0.093 16.392 -13.456
330 HZ1 LYS 47 1HZ LYS 47 -2.405 16.832 -13.119
331 HZ2 LYS 47 2HZ LYS 47 -2.354 17.994 -14.242
332 HZ3 LYS 47 3HZ LYS 47 -1.546 18.175 -12.853
333 H CYS 48 H CYS 48 4.587 21.260 -14.249
334 HA CYS 48 HA CYS 48 6.618 19.413 -13.500
335 HB2 CYS 48 1HB CYS 48 8.052 21.421 -14.345
336 HB3 CYS 48 2HB CYS 48 7.811 20.033 -15.170
337 H CYS 49 H CYS 49 8.454 20.427 -12.215
338 HA CYS 49 HA CYS 49 7.416 22.317 -10.309
339 HB2 CYS 49 1HB CYS 49 8.547 20.429 -9.555
340 HB3 CYS 49 2HB CYS 49 9.881 20.907 -10.367
341 H THR 50 H THR 50 8.184 24.468 -10.164
342 HA THR 50 HA THR 50 10.074 25.207 -12.187
343 HB THR 50 HB THR 50 8.740 27.318 -12.502
344 HG1 THR 50 HG1 THR 50 6.451 26.766 -11.779
345 HG21 THR 50 1HG2 THR 50 7.048 26.304 -13.876
346 HG22 THR 50 2HG2 THR 50 7.291 24.878 -13.153
347 HG23 THR 50 3HG2 THR 50 8.437 25.508 -14.104
348 H TRP 51 H TRP 51 11.159 27.340 -11.858
349 HA TRP 51 HA TRP 51 12.101 27.480 -9.245
350 HB2 TRP 51 1HB TRP 51 13.408 28.054 -11.225
351 HB3 TRP 51 2HB TRP 51 12.503 29.403 -11.393
352 HD1 TRP 51 HD1 TRP 51 14.638 28.044 -8.607
353 HE1 TRP 51 HE1 TRP 51 16.022 29.837 -7.538
354 HE3 TRP 51 HE3 TRP 51 13.000 31.846 -11.413
355 HZ2 TRP 51 HZ2 TRP 51 16.308 32.616 -7.935
356 HZ3 TRP 51 HZ3 TRP 51 13.870 34.069 -10.997
357 HH2 TRP 51 HH2 TRP 51 15.514 34.435 -9.266
358 H ASN 52 H ASN 52 11.730 28.814 -7.513
359 HA ASN 52 HA ASN 52 9.433 30.436 -7.611
360 HB2 ASN 52 1HB ASN 52 10.025 29.373 -5.571
361 HB3 ASN 52 2HB ASN 52 11.411 30.235 -5.512
362 HD21 ASN 52 1HD2 ASN 52 9.996 32.662 -3.569
363 HD22 ASN 52 2HD2 ASN 52 11.342 31.614 -3.872
364 H GLY 53 H GLY 53 9.309 32.666 -8.015
365 HA2 GLY 53 1HA GLY 53 10.339 34.788 -7.995
366 HA3 GLY 53 2HA GLY 53 11.817 34.098 -8.081
367 H LEU 54 H LEU 54 10.152 32.345 -10.132
368 HA LEU 54 HA LEU 54 11.086 33.449 -12.491
369 HB2 LEU 54 1HB LEU 54 10.335 31.189 -12.238
370 HB3 LEU 54 2HB LEU 54 8.797 31.737 -12.202
371 HG LEU 54 HG LEU 54 10.233 32.448 -14.523
372 HD11 LEU 54 1HD1 LEU 54 10.037 30.263 -15.500
373 HD12 LEU 54 2HD1 LEU 54 9.493 29.679 -14.094
374 HD13 LEU 54 3HD1 LEU 54 11.018 30.203 -14.216
375 HD21 LEU 54 1HD2 LEU 54 8.177 31.962 -15.601
376 HD22 LEU 54 2HD2 LEU 54 7.928 32.966 -14.359
377 HD23 LEU 54 3HD2 LEU 54 7.570 31.396 -14.213
378 H VAL 55 H VAL 55 10.435 35.193 -13.699
379 HA VAL 55 HA VAL 55 8.248 36.668 -12.683
380 HB VAL 55 HB VAL 55 9.837 37.385 -15.004
381 HG11 VAL 55 1HG1 VAL 55 9.147 39.646 -14.529
382 HG12 VAL 55 2HG1 VAL 55 8.263 39.117 -13.282
383 HG13 VAL 55 3HG1 VAL 55 7.850 38.717 -14.793
384 HG21 VAL 55 1HG2 VAL 55 11.240 38.681 -13.500
385 HG22 VAL 55 2HG2 VAL 55 11.313 37.116 -13.098
386 HG23 VAL 55 3HG2 VAL 55 10.396 38.130 -12.235
387 HA PRO 56 HA PRO 56 5.677 34.753 -15.671
388 HB2 PRO 56 1HB PRO 56 3.268 35.278 -14.687
389 HB3 PRO 56 2HB PRO 56 4.260 34.386 -13.745
390 HG2 PRO 56 1HG PRO 56 3.806 37.198 -13.630
391 HG3 PRO 56 2HG PRO 56 3.783 36.132 -12.393
392 HD2 PRO 56 1HD PRO 56 5.936 37.570 -12.934
393 HD3 PRO 56 2HD PRO 56 6.049 36.101 -12.229
394 H ARG 57 H ARG 57 6.369 37.763 -15.850
395 HA ARG 57 HA ARG 57 4.692 38.252 -18.111
396 HB2 ARG 57 1HB ARG 57 3.896 40.345 -17.335
397 HB3 ARG 57 2HB ARG 57 3.453 39.191 -16.267
398 HG2 ARG 57 1HG ARG 57 4.235 40.610 -14.764
399 HG3 ARG 57 2HG ARG 57 5.689 39.992 -15.178
400 HD2 ARG 57 1HD ARG 57 5.708 41.800 -16.916
401 HD3 ARG 57 2HD ARG 57 4.558 42.496 -15.990
402 HE ARG 57 HE ARG 57 6.184 42.522 -14.147
403 HH11 ARG 57 1HH1 ARG 57 7.334 42.435 -17.482
404 HH12 ARG 57 2HH1 ARG 57 8.853 43.151 -17.060
405 HH21 ARG 57 1HH2 ARG 57 8.135 43.445 -13.704
406 HH22 ARG 57 2HH2 ARG 57 9.297 43.712 -14.960
Start of MODEL 4
1 H1 GLY 1 1H GLY 1 3.238 -7.297 -5.770
2 H2 GLY 1 2H GLY 1 3.715 -5.977 -4.967
3 H3 GLY 1 3H GLY 1 4.428 -6.377 -6.362
4 HA2 GLY 1 1HA GLY 1 2.420 -5.960 -7.519
5 HA3 GLY 1 2HA GLY 1 1.699 -5.556 -6.110
6 H SER 2 H SER 2 1.256 -3.521 -7.545
7 HA SER 2 HA SER 2 3.189 -1.560 -6.754
8 HB2 SER 2 1HB SER 2 4.019 -2.159 -8.933
9 HB3 SER 2 2HB SER 2 2.538 -1.920 -9.578
10 HG SER 2 HG SER 2 3.540 -0.108 -10.031
11 HA PRO 3 HA PRO 3 -0.673 0.364 -6.337
12 HB2 PRO 3 1HB PRO 3 -0.132 2.930 -5.929
13 HB3 PRO 3 2HB PRO 3 0.270 1.851 -4.771
14 HG2 PRO 3 1HG PRO 3 1.962 2.941 -6.802
15 HG3 PRO 3 2HG PRO 3 2.278 2.814 -5.205
16 HD2 PRO 3 1HD PRO 3 3.201 1.036 -6.867
17 HD3 PRO 3 2HD PRO 3 2.759 0.596 -5.358
18 H THR 4 H THR 4 -2.350 1.031 -7.569
19 HA THR 4 HA THR 4 -1.669 1.640 -10.241
20 HB THR 4 HB THR 4 -4.132 1.608 -10.557
21 HG1 THR 4 HG1 THR 4 -5.405 1.346 -8.909
22 HG21 THR 4 1HG2 THR 4 -4.298 -0.792 -10.256
23 HG22 THR 4 2HG2 THR 4 -2.989 -0.775 -9.308
24 HG23 THR 4 3HG2 THR 4 -2.849 -0.451 -10.886
25 H PHE 5 H PHE 5 -1.627 3.482 -7.747
26 HA PHE 5 HA PHE 5 -3.118 5.683 -8.093
27 HB2 PHE 5 1HB PHE 5 -1.595 5.285 -6.262
28 HB3 PHE 5 2HB PHE 5 -0.329 5.532 -7.264
29 HD1 PHE 5 HD1 PHE 5 0.424 7.744 -7.817
30 HD2 PHE 5 HD2 PHE 5 -2.936 7.207 -5.429
31 HE1 PHE 5 HE1 PHE 5 0.617 10.016 -7.060
32 HE2 PHE 5 HE2 PHE 5 -2.799 9.509 -4.714
33 HZ PHE 5 HZ PHE 5 -1.026 10.913 -5.529
34 H CYS 6 H CYS 6 0.024 5.320 -9.619
35 HA CYS 6 HA CYS 6 -0.765 7.461 -11.371
36 HB2 CYS 6 1HB CYS 6 1.268 8.246 -11.472
37 HB3 CYS 6 2HB CYS 6 1.233 7.649 -9.952
38 H GLN 7 H GLN 7 -0.561 4.238 -11.438
39 HA GLN 7 HA GLN 7 0.498 3.805 -13.976
40 HB2 GLN 7 1HB GLN 7 -1.363 2.313 -12.404
41 HB3 GLN 7 2HB GLN 7 -0.811 1.763 -13.840
42 HG2 GLN 7 1HG GLN 7 1.437 1.782 -12.927
43 HG3 GLN 7 2HG GLN 7 0.809 2.195 -11.477
44 HE21 GLN 7 1HE2 GLN 7 0.357 -1.062 -10.494
45 HE22 GLN 7 2HE2 GLN 7 0.747 0.571 -10.070
46 H GLY 8 H GLY 8 -0.357 3.867 -16.035
47 HA2 GLY 8 1HA GLY 8 -2.016 4.195 -17.548
48 HA3 GLY 8 2HA GLY 8 -3.130 4.282 -16.357
49 H LYS 9 H LYS 9 -0.754 6.356 -15.560
50 HA LYS 9 HA LYS 9 -2.087 8.609 -16.799
51 HB2 LYS 9 1HB LYS 9 -1.129 8.260 -14.182
52 HB3 LYS 9 2HB LYS 9 -0.751 9.705 -14.844
53 HG2 LYS 9 1HG LYS 9 -2.727 10.054 -13.793
54 HG3 LYS 9 2HG LYS 9 -3.111 9.936 -15.376
55 HD2 LYS 9 1HD LYS 9 -4.699 8.700 -14.226
56 HD3 LYS 9 2HD LYS 9 -3.725 7.618 -14.965
57 HE2 LYS 9 1HE LYS 9 -2.512 7.408 -12.890
58 HE3 LYS 9 2HE LYS 9 -3.658 8.336 -12.187
59 HZ1 LYS 9 1HZ LYS 9 -4.082 6.038 -11.744
60 HZ2 LYS 9 2HZ LYS 9 -4.150 5.732 -13.330
61 HZ3 LYS 9 3HZ LYS 9 -5.285 6.650 -12.634
62 H ALA 10 H ALA 10 -0.679 10.354 -17.571
63 HA ALA 10 HA ALA 10 1.548 9.340 -18.895
64 HB1 ALA 10 1HB ALA 10 0.358 11.225 -19.768
65 HB2 ALA 10 2HB ALA 10 1.918 11.618 -19.605
66 HB3 ALA 10 3HB ALA 10 0.837 12.129 -18.516
67 H ASP 11 H ASP 11 3.806 9.714 -18.611
68 HA ASP 11 HA ASP 11 4.745 9.830 -16.029
69 HB2 ASP 11 1HB ASP 11 6.173 10.333 -18.487
70 HB3 ASP 11 2HB ASP 11 6.925 10.222 -17.041
71 H GLY 12 H GLY 12 5.240 11.598 -14.655
72 HA2 GLY 12 1HA GLY 12 5.879 14.101 -15.283
73 HA3 GLY 12 2HA GLY 12 4.275 14.105 -15.587
74 H LEU 13 H LEU 13 4.654 15.876 -13.800
75 HA LEU 13 HA LEU 13 4.702 14.644 -11.235
76 HB2 LEU 13 1HB LEU 13 4.674 17.475 -11.794
77 HB3 LEU 13 2HB LEU 13 4.958 16.822 -10.324
78 HG LEU 13 HG LEU 13 6.790 16.769 -12.532
79 HD11 LEU 13 1HD1 LEU 13 8.082 18.278 -11.108
80 HD12 LEU 13 2HD1 LEU 13 6.916 18.215 -9.989
81 HD13 LEU 13 3HD1 LEU 13 6.634 18.932 -11.411
82 HD21 LEU 13 1HD2 LEU 13 8.369 15.789 -11.093
83 HD22 LEU 13 2HD2 LEU 13 7.097 14.811 -11.295
84 HD23 LEU 13 3HD2 LEU 13 7.250 15.668 -9.932
85 H TYR 14 H TYR 14 3.047 14.913 -9.610
86 HA TYR 14 HA TYR 14 0.587 16.098 -10.557
87 HB2 TYR 14 1HB TYR 14 0.776 13.447 -9.410
88 HB3 TYR 14 2HB TYR 14 -0.650 14.218 -9.614
89 HD1 TYR 14 HD1 TYR 14 2.014 12.546 -11.347
90 HD2 TYR 14 HD2 TYR 14 -1.651 14.435 -11.869
91 HE1 TYR 14 HE1 TYR 14 1.946 11.773 -13.638
92 HE2 TYR 14 HE2 TYR 14 -1.708 13.654 -14.162
93 HH TYR 14 HH TYR 14 0.057 11.278 -15.401
94 HA PRO 15 HA PRO 15 0.817 18.029 -6.814
95 HB2 PRO 15 1HB PRO 15 -1.707 18.851 -6.302
96 HB3 PRO 15 2HB PRO 15 -0.899 19.523 -7.552
97 HG2 PRO 15 1HG PRO 15 -2.738 17.330 -7.649
98 HG3 PRO 15 2HG PRO 15 -2.732 18.665 -8.590
99 HD2 PRO 15 1HD PRO 15 -1.698 16.513 -9.472
100 HD3 PRO 15 2HD PRO 15 -0.976 17.940 -9.805
101 H ASN 16 H ASN 16 0.841 17.953 -4.643
102 HA ASN 16 HA ASN 16 -0.351 15.563 -3.544
103 HB2 ASN 16 1HB ASN 16 1.963 16.071 -3.099
104 HB3 ASN 16 2HB ASN 16 1.455 17.337 -2.201
105 HD21 ASN 16 1HD2 ASN 16 1.936 13.967 -0.397
106 HD22 ASN 16 2HD2 ASN 16 2.754 14.544 -1.810
107 HA PRO 17 HA PRO 17 -3.420 18.288 -2.018
108 HB2 PRO 17 1HB PRO 17 -5.145 16.618 -0.886
109 HB3 PRO 17 2HB PRO 17 -4.947 16.506 -2.503
110 HG2 PRO 17 1HG PRO 17 -3.630 14.941 -0.483
111 HG3 PRO 17 2HG PRO 17 -4.432 14.384 -1.792
112 HD2 PRO 17 1HD PRO 17 -1.837 14.667 -1.878
113 HD3 PRO 17 2HD PRO 17 -2.730 14.946 -3.216
114 H ARG 18 H ARG 18 -1.550 16.448 0.060
115 HA ARG 18 HA ARG 18 -2.645 17.655 2.392
116 HB2 ARG 18 1HB ARG 18 -0.566 15.665 2.107
117 HB3 ARG 18 2HB ARG 18 -1.019 16.236 3.568
118 HG2 ARG 18 1HG ARG 18 -3.124 15.248 3.336
119 HG3 ARG 18 2HG ARG 18 -2.751 14.751 1.826
120 HD2 ARG 18 1HD ARG 18 -1.103 13.310 2.664
121 HD3 ARG 18 2HD ARG 18 -1.337 13.876 4.178
122 HE ARG 18 HE ARG 18 -3.720 12.811 3.193
123 HH11 ARG 18 1HH1 ARG 18 -4.512 10.914 4.010
124 HH12 ARG 18 2HH1 ARG 18 -3.465 9.792 4.814
125 HH21 ARG 18 1HH2 ARG 18 -0.632 11.748 4.504
126 HH22 ARG 18 2HH2 ARG 18 -1.292 10.258 5.090
127 H GLU 19 H GLU 19 0.251 17.669 0.555
128 HA GLU 19 HA GLU 19 1.322 19.721 2.262
129 HB2 GLU 19 1HB GLU 19 2.705 17.878 0.533
130 HB3 GLU 19 2HB GLU 19 3.474 19.160 1.193
131 HG2 GLU 19 1HG GLU 19 4.034 17.561 2.657
132 HG3 GLU 19 2HG GLU 19 2.689 18.146 3.374
133 H ARG 20 H ARG 20 2.845 21.307 1.101
134 HA ARG 20 HA ARG 20 1.624 22.058 -1.392
135 HB2 ARG 20 1HB ARG 20 1.513 23.664 0.463
136 HB3 ARG 20 2HB ARG 20 3.134 23.823 0.343
137 HG2 ARG 20 1HG ARG 20 2.090 25.659 -0.688
138 HG3 ARG 20 2HG ARG 20 2.862 24.777 -1.825
139 HD2 ARG 20 1HD ARG 20 0.889 23.864 -2.582
140 HD3 ARG 20 2HD ARG 20 0.066 24.402 -1.278
141 HE ARG 20 HE ARG 20 0.826 25.955 -3.574
142 HH11 ARG 20 1HH1 ARG 20 -0.782 25.981 -0.430
143 HH12 ARG 20 2HH1 ARG 20 -1.518 27.518 -0.739
144 HH21 ARG 20 1HH2 ARG 20 -0.140 27.900 -3.875
145 HH22 ARG 20 2HH2 ARG 20 -1.161 28.582 -2.653
146 H SER 21 H SER 21 4.620 21.537 0.124
147 HA SER 21 HA SER 21 6.088 22.297 -2.159
148 HB2 SER 21 1HB SER 21 7.109 22.819 -0.041
149 HB3 SER 21 2HB SER 21 6.981 21.266 0.447
150 HG SER 21 HG SER 21 9.033 21.475 -0.086
151 H SER 22 H SER 22 4.989 19.316 -0.836
152 HA SER 22 HA SER 22 6.827 17.856 -2.428
153 HB2 SER 22 1HB SER 22 6.011 15.888 -1.377
154 HB3 SER 22 2HB SER 22 6.122 17.018 -0.203
155 HG SER 22 HG SER 22 3.793 16.651 -1.595
156 H PHE 23 H PHE 23 6.210 16.187 -3.950
157 HA PHE 23 HA PHE 23 3.609 16.541 -5.062
158 HB2 PHE 23 1HB PHE 23 4.579 16.477 -7.318
159 HB3 PHE 23 2HB PHE 23 4.919 17.851 -6.503
160 HD1 PHE 23 HD1 PHE 23 7.096 18.581 -6.322
161 HD2 PHE 23 HD2 PHE 23 6.410 14.624 -7.310
162 HE1 PHE 23 HE1 PHE 23 9.457 18.299 -6.682
163 HE2 PHE 23 HE2 PHE 23 8.792 14.308 -7.668
164 HZ PHE 23 HZ PHE 23 10.314 16.165 -7.349
165 H TYR 24 H TYR 24 3.030 14.805 -6.619
166 HA TYR 24 HA TYR 24 4.313 12.274 -6.004
167 HB2 TYR 24 1HB TYR 24 1.867 12.807 -7.423
168 HB3 TYR 24 2HB TYR 24 2.458 11.312 -7.134
169 HD1 TYR 24 HD1 TYR 24 2.699 10.606 -4.661
170 HD2 TYR 24 HD2 TYR 24 0.283 13.752 -5.922
171 HE1 TYR 24 HE1 TYR 24 1.458 10.488 -2.584
172 HE2 TYR 24 HE2 TYR 24 -0.944 13.617 -3.848
173 HH TYR 24 HH TYR 24 -1.507 12.017 -2.064
174 H SER 25 H SER 25 5.244 11.104 -7.804
175 HA SER 25 HA SER 25 5.249 12.519 -10.311
176 HB2 SER 25 1HB SER 25 7.340 13.140 -9.297
177 HB3 SER 25 2HB SER 25 7.718 11.563 -9.103
178 HG SER 25 HG SER 25 8.740 12.143 -10.868
179 H CYS 26 H CYS 26 5.166 11.144 -12.108
180 HA CYS 26 HA CYS 26 5.284 8.313 -11.465
181 HB2 CYS 26 1HB CYS 26 3.164 9.278 -12.198
182 HB3 CYS 26 2HB CYS 26 3.853 9.356 -13.677
183 H ALA 27 H ALA 27 7.029 7.285 -12.331
184 HA ALA 27 HA ALA 27 7.960 8.189 -14.883
185 HB1 ALA 27 1HB ALA 27 9.424 9.307 -13.316
186 HB2 ALA 27 2HB ALA 27 10.283 8.200 -14.123
187 HB3 ALA 27 3HB ALA 27 9.781 7.894 -12.616
188 H ALA 28 H ALA 28 8.060 6.488 -16.251
189 HA ALA 28 HA ALA 28 8.026 4.380 -16.904
190 HB1 ALA 28 1HB ALA 28 10.403 4.418 -16.307
191 HB2 ALA 28 2HB ALA 28 9.832 2.915 -16.143
192 HB3 ALA 28 3HB ALA 28 10.043 3.846 -14.838
193 H GLY 29 H GLY 29 5.991 5.037 -15.127
194 HA2 GLY 29 1HA GLY 29 4.245 3.875 -14.308
195 HA3 GLY 29 2HA GLY 29 5.036 2.465 -14.544
196 H ARG 30 H ARG 30 6.987 4.382 -12.731
197 HA ARG 30 HA ARG 30 6.219 2.980 -10.318
198 HB2 ARG 30 1HB ARG 30 8.707 4.338 -10.801
199 HB3 ARG 30 2HB ARG 30 8.381 3.388 -9.514
200 HG2 ARG 30 1HG ARG 30 8.668 2.421 -12.230
201 HG3 ARG 30 2HG ARG 30 9.784 2.227 -11.053
202 HD2 ARG 30 1HD ARG 30 8.258 0.855 -9.846
203 HD3 ARG 30 2HD ARG 30 7.162 1.032 -11.044
204 HE ARG 30 HE ARG 30 8.321 -0.410 -12.413
205 HH11 ARG 30 1HH1 ARG 30 9.635 -2.165 -12.648
206 HH12 ARG 30 2HH1 ARG 30 10.809 -2.563 -11.438
207 HH21 ARG 30 1HH2 ARG 30 10.035 0.082 -9.375
208 HH22 ARG 30 2HH2 ARG 30 11.031 -1.314 -9.617
209 H LEU 31 H LEU 31 5.574 4.032 -8.451
210 HA LEU 31 HA LEU 31 5.029 6.803 -8.750
211 HB2 LEU 31 1HB LEU 31 3.637 4.987 -7.616
212 HB3 LEU 31 2HB LEU 31 4.530 5.392 -6.309
213 HG LEU 31 HG LEU 31 2.457 6.843 -7.557
214 HD11 LEU 31 1HD1 LEU 31 1.759 7.087 -5.178
215 HD12 LEU 31 2HD1 LEU 31 3.123 6.345 -4.729
216 HD13 LEU 31 3HD1 LEU 31 1.983 5.526 -5.532
217 HD21 LEU 31 1HD2 LEU 31 2.880 8.859 -6.390
218 HD22 LEU 31 2HD2 LEU 31 4.029 8.553 -7.486
219 HD23 LEU 31 3HD2 LEU 31 4.314 8.280 -5.918
220 H PHE 32 H PHE 32 6.529 8.331 -8.289
221 HA PHE 32 HA PHE 32 8.314 7.817 -6.094
222 HB2 PHE 32 1HB PHE 32 8.607 9.622 -8.309
223 HB3 PHE 32 2HB PHE 32 9.571 9.721 -6.995
224 HD1 PHE 32 HD1 PHE 32 8.692 7.579 -9.745
225 HD2 PHE 32 HD2 PHE 32 11.474 8.271 -6.733
226 HE1 PHE 32 HE1 PHE 32 10.166 5.998 -10.765
227 HE2 PHE 32 HE2 PHE 32 12.933 6.593 -7.680
228 HZ PHE 32 HZ PHE 32 12.288 5.461 -9.710
229 H GLN 33 H GLN 33 8.307 9.267 -4.306
230 HA GLN 33 HA GLN 33 6.392 11.477 -4.466
231 HB2 GLN 33 1HB GLN 33 6.761 9.782 -2.168
232 HB3 GLN 33 2HB GLN 33 5.749 11.062 -2.241
233 HG2 GLN 33 1HG GLN 33 4.416 9.902 -3.846
234 HG3 GLN 33 2HG GLN 33 5.419 8.617 -3.739
235 HE21 GLN 33 1HE2 GLN 33 3.759 7.136 -1.154
236 HE22 GLN 33 2HE2 GLN 33 4.883 6.993 -2.464
237 H GLN 34 H GLN 34 7.571 13.409 -4.288
238 HA GLN 34 HA GLN 34 9.887 13.379 -2.613
239 HB2 GLN 34 1HB GLN 34 10.054 14.003 -5.448
240 HB3 GLN 34 2HB GLN 34 11.266 14.356 -4.412
241 HG2 GLN 34 1HG GLN 34 11.473 11.991 -3.960
242 HG3 GLN 34 2HG GLN 34 10.391 11.718 -5.152
243 HE21 GLN 34 1HE2 GLN 34 12.686 11.700 -7.667
244 HE22 GLN 34 2HE2 GLN 34 11.128 11.224 -7.081
245 H SER 35 H SER 35 10.962 15.629 -2.512
246 HA SER 35 HA SER 35 8.837 17.549 -2.414
247 HB2 SER 35 1HB SER 35 10.239 18.679 -0.696
248 HB3 SER 35 2HB SER 35 9.801 17.171 -0.246
249 HG SER 35 HG SER 35 11.772 16.403 -0.793
250 H CYS 36 H CYS 36 9.206 19.808 -2.901
251 HA CYS 36 HA CYS 36 11.464 20.280 -4.661
252 HB2 CYS 36 1HB CYS 36 8.829 20.688 -5.056
253 HB3 CYS 36 2HB CYS 36 9.554 22.151 -5.008
254 HA PRO 37 HA PRO 37 11.717 22.869 -1.112
255 HB2 PRO 37 1HB PRO 37 14.222 22.431 -0.206
256 HB3 PRO 37 2HB PRO 37 13.127 21.230 -0.054
257 HG2 PRO 37 1HG PRO 37 15.112 21.536 -2.117
258 HG3 PRO 37 2HG PRO 37 14.697 20.164 -1.335
259 HD2 PRO 37 1HD PRO 37 13.764 20.791 -3.717
260 HD3 PRO 37 2HD PRO 37 12.984 19.779 -2.700
261 H THR 38 H THR 38 14.936 23.328 -2.408
262 HA THR 38 HA THR 38 14.787 25.885 -1.386
263 HB THR 38 HB THR 38 17.023 25.839 -2.943
264 HG1 THR 38 HG1 THR 38 16.907 23.263 -2.068
265 HG21 THR 38 1HG2 THR 38 18.220 25.148 -0.951
266 HG22 THR 38 2HG2 THR 38 16.837 24.641 -0.282
267 HG23 THR 38 3HG2 THR 38 17.088 26.220 -0.523
268 H GLY 39 H GLY 39 13.395 27.282 -2.114
269 HA2 GLY 39 1HA GLY 39 12.878 29.022 -3.457
270 HA3 GLY 39 2HA GLY 39 14.144 28.678 -4.428
271 H LEU 40 H LEU 40 12.089 26.108 -3.894
272 HA LEU 40 HA LEU 40 11.150 26.320 -6.612
273 HB2 LEU 40 1HB LEU 40 11.696 24.028 -4.918
274 HB3 LEU 40 2HB LEU 40 10.943 23.840 -6.355
275 HG LEU 40 HG LEU 40 13.568 24.961 -6.235
276 HD11 LEU 40 1HD1 LEU 40 14.440 22.714 -6.583
277 HD12 LEU 40 2HD1 LEU 40 12.945 22.114 -6.436
278 HD13 LEU 40 3HD1 LEU 40 13.675 22.787 -5.160
279 HD21 LEU 40 1HD2 LEU 40 13.733 24.238 -8.490
280 HD22 LEU 40 2HD2 LEU 40 12.477 25.240 -8.309
281 HD23 LEU 40 3HD2 LEU 40 12.230 23.645 -8.418
282 H VAL 41 H VAL 41 9.106 26.156 -7.274
283 HA VAL 41 HA VAL 41 7.187 25.500 -5.269
284 HB VAL 41 HB VAL 41 5.677 27.267 -6.151
285 HG11 VAL 41 1HG1 VAL 41 6.763 29.067 -4.914
286 HG12 VAL 41 2HG1 VAL 41 8.150 28.237 -4.930
287 HG13 VAL 41 3HG1 VAL 41 6.888 27.684 -4.084
288 HG21 VAL 41 1HG2 VAL 41 6.651 29.071 -7.401
289 HG22 VAL 41 2HG2 VAL 41 6.746 27.694 -8.245
290 HG23 VAL 41 3HG2 VAL 41 8.051 28.265 -7.479
291 H PHE 42 H PHE 42 5.163 24.506 -6.007
292 HA PHE 42 HA PHE 42 5.574 23.200 -8.513
293 HB2 PHE 42 1HB PHE 42 4.956 21.842 -6.702
294 HB3 PHE 42 2HB PHE 42 3.577 22.696 -6.506
295 HD1 PHE 42 HD1 PHE 42 5.268 20.624 -8.950
296 HD2 PHE 42 HD2 PHE 42 1.579 21.953 -7.526
297 HE1 PHE 42 HE1 PHE 42 4.139 19.173 -10.504
298 HE2 PHE 42 HE2 PHE 42 0.462 20.473 -9.073
299 HZ PHE 42 HZ PHE 42 1.760 19.084 -10.552
300 H SER 43 H SER 43 4.469 23.499 -10.374
301 HA SER 43 HA SER 43 2.256 25.334 -10.312
302 HB2 SER 43 1HB SER 43 4.093 26.174 -11.635
303 HB3 SER 43 2HB SER 43 4.045 24.829 -12.560
304 HG SER 43 HG SER 43 2.958 26.251 -13.710
305 H ASN 44 H ASN 44 0.427 24.171 -10.232
306 HA ASN 44 HA ASN 44 0.301 21.632 -11.322
307 HB2 ASN 44 1HB ASN 44 -1.069 22.376 -9.437
308 HB3 ASN 44 2HB ASN 44 -1.968 23.254 -10.480
309 HD21 ASN 44 1HD2 ASN 44 -4.243 20.674 -10.569
310 HD22 ASN 44 2HD2 ASN 44 -3.933 22.341 -10.214
311 H SER 45 H SER 45 -0.384 24.610 -12.723
312 HA SER 45 HA SER 45 -2.171 23.767 -14.655
313 HB2 SER 45 1HB SER 45 -1.279 25.851 -15.849
314 HB3 SER 45 2HB SER 45 -2.035 26.077 -14.420
315 HG SER 45 HG SER 45 0.616 25.569 -14.287
316 H CYS 46 H CYS 46 1.285 23.733 -14.615
317 HA CYS 46 HA CYS 46 1.238 22.542 -17.218
318 HB2 CYS 46 1HB CYS 46 3.349 23.320 -17.599
319 HB3 CYS 46 2HB CYS 46 2.486 24.554 -16.968
320 H LYS 47 H LYS 47 1.419 21.598 -14.198
321 HA LYS 47 HA LYS 47 2.129 19.801 -13.152
322 HB2 LYS 47 1HB LYS 47 2.657 18.525 -15.689
323 HB3 LYS 47 2HB LYS 47 2.466 17.737 -14.271
324 HG2 LYS 47 1HG LYS 47 0.387 19.170 -15.622
325 HG3 LYS 47 2HG LYS 47 0.551 17.545 -15.627
326 HD2 LYS 47 1HD LYS 47 0.175 17.504 -13.286
327 HD3 LYS 47 2HD LYS 47 0.002 19.128 -13.287
328 HE2 LYS 47 1HE LYS 47 -1.877 18.918 -14.713
329 HE3 LYS 47 2HE LYS 47 -1.710 17.293 -14.684
330 HZ1 LYS 47 1HZ LYS 47 -3.355 17.973 -13.115
331 HZ2 LYS 47 2HZ LYS 47 -2.268 18.911 -12.372
332 HZ3 LYS 47 3HZ LYS 47 -2.103 17.303 -12.343
333 H CYS 48 H CYS 48 4.016 21.862 -13.634
334 HA CYS 48 HA CYS 48 6.489 20.395 -13.639
335 HB2 CYS 48 1HB CYS 48 6.619 23.177 -13.856
336 HB3 CYS 48 2HB CYS 48 7.536 22.049 -14.600
337 H CYS 49 H CYS 49 8.241 21.187 -12.195
338 HA CYS 49 HA CYS 49 7.264 22.784 -9.968
339 HB2 CYS 49 1HB CYS 49 8.096 20.718 -9.325
340 HB3 CYS 49 2HB CYS 49 9.533 21.097 -10.002
341 H THR 50 H THR 50 8.118 24.883 -9.931
342 HA THR 50 HA THR 50 10.243 25.409 -11.817
343 HB THR 50 HB THR 50 9.074 27.612 -12.210
344 HG1 THR 50 HG1 THR 50 6.740 27.311 -11.522
345 HG21 THR 50 1HG2 THR 50 7.298 26.728 -13.590
346 HG22 THR 50 2HG2 THR 50 7.396 25.303 -12.833
347 HG23 THR 50 3HG2 THR 50 8.603 25.794 -13.789
348 H TRP 51 H TRP 51 11.656 27.273 -11.351
349 HA TRP 51 HA TRP 51 12.009 27.581 -8.580
350 HB2 TRP 51 1HB TRP 51 13.770 27.637 -10.346
351 HB3 TRP 51 2HB TRP 51 13.395 29.223 -10.448
352 HD1 TRP 51 HD1 TRP 51 14.760 26.801 -7.967
353 HE1 TRP 51 HE1 TRP 51 16.074 27.923 -6.152
354 HE3 TRP 51 HE3 TRP 51 13.831 31.520 -9.331
355 HZ2 TRP 51 HZ2 TRP 51 16.587 30.612 -5.444
356 HZ3 TRP 51 HZ3 TRP 51 14.770 33.324 -8.023
357 HH2 TRP 51 HH2 TRP 51 16.140 32.865 -6.110
358 H ASN 52 H ASN 52 11.646 29.517 -7.305
359 HA ASN 52 HA ASN 52 9.546 31.030 -8.341
360 HB2 ASN 52 1HB ASN 52 9.488 30.394 -6.035
361 HB3 ASN 52 2HB ASN 52 10.848 31.252 -5.750
362 HD21 ASN 52 1HD2 ASN 52 8.858 33.757 -4.500
363 HD22 ASN 52 2HD2 ASN 52 10.038 32.536 -4.154
364 H GLY 53 H GLY 53 10.485 32.137 -10.086
365 HA2 GLY 53 1HA GLY 53 12.401 34.161 -9.440
366 HA3 GLY 53 2HA GLY 53 11.912 33.738 -10.940
367 H LEU 54 H LEU 54 9.567 34.355 -8.537
368 HA LEU 54 HA LEU 54 8.340 36.321 -10.056
369 HB2 LEU 54 1HB LEU 54 7.130 34.980 -8.473
370 HB3 LEU 54 2HB LEU 54 7.918 35.717 -7.247
371 HG LEU 54 HG LEU 54 6.523 37.520 -8.880
372 HD11 LEU 54 1HD1 LEU 54 4.329 36.941 -8.121
373 HD12 LEU 54 2HD1 LEU 54 4.924 35.617 -7.407
374 HD13 LEU 54 3HD1 LEU 54 4.946 35.746 -9.019
375 HD21 LEU 54 1HD2 LEU 54 5.820 38.452 -6.791
376 HD22 LEU 54 2HD2 LEU 54 7.423 38.237 -6.796
377 HD23 LEU 54 3HD2 LEU 54 6.470 37.196 -6.006
378 H VAL 55 H VAL 55 8.576 38.537 -10.185
379 HA VAL 55 HA VAL 55 10.231 39.758 -8.151
380 HB VAL 55 HB VAL 55 9.858 40.837 -10.833
381 HG11 VAL 55 1HG1 VAL 55 11.666 42.330 -10.274
382 HG12 VAL 55 2HG1 VAL 55 11.745 41.689 -8.791
383 HG13 VAL 55 3HG1 VAL 55 10.443 42.538 -9.237
384 HG21 VAL 55 1HG2 VAL 55 12.094 40.044 -11.338
385 HG22 VAL 55 2HG2 VAL 55 11.142 38.787 -10.980
386 HG23 VAL 55 3HG2 VAL 55 12.185 39.352 -9.880
387 HA PRO 56 HA PRO 56 6.354 41.673 -7.332
388 HB2 PRO 56 1HB PRO 56 6.721 42.472 -4.856
389 HB3 PRO 56 2HB PRO 56 6.829 40.865 -5.128
390 HG2 PRO 56 1HG PRO 56 8.965 42.754 -4.947
391 HG3 PRO 56 2HG PRO 56 8.852 41.303 -4.206
392 HD2 PRO 56 1HD PRO 56 10.194 41.620 -6.469
393 HD3 PRO 56 2HD PRO 56 9.539 40.185 -6.048
394 H ARG 57 H ARG 57 8.716 43.297 -8.455
395 HA ARG 57 HA ARG 57 7.408 45.830 -8.110
396 HB2 ARG 57 1HB ARG 57 9.474 46.961 -7.679
397 HB3 ARG 57 2HB ARG 57 9.127 45.905 -6.482
398 HG2 ARG 57 1HG ARG 57 10.685 44.374 -7.368
399 HG3 ARG 57 2HG ARG 57 11.019 45.409 -8.587
400 HD2 ARG 57 1HD ARG 57 11.828 46.976 -6.951
401 HD3 ARG 57 2HD ARG 57 11.629 45.823 -5.812
402 HE ARG 57 HE ARG 57 13.176 44.797 -7.881
403 HH11 ARG 57 1HH1 ARG 57 15.361 44.503 -7.638
404 HH12 ARG 57 2HH1 ARG 57 16.229 45.344 -6.397
405 HH21 ARG 57 1HH2 ARG 57 13.492 46.977 -5.118
406 HH22 ARG 57 2HH2 ARG 57 15.199 46.707 -5.009
Start of MODEL 5
1 H1 GLY 1 1H GLY 1 7.194 -6.689 -6.853
2 H2 GLY 1 2H GLY 1 6.574 -5.354 -6.185
3 H3 GLY 1 3H GLY 1 8.070 -5.331 -6.799
4 HA2 GLY 1 1HA GLY 1 7.194 -5.652 -8.964
5 HA3 GLY 1 2HA GLY 1 5.683 -5.676 -8.344
6 H SER 2 H SER 2 5.850 -3.893 -10.263
7 HA SER 2 HA SER 2 6.779 -1.423 -9.259
8 HB2 SER 2 1HB SER 2 5.201 -1.945 -11.661
9 HB3 SER 2 2HB SER 2 5.957 -0.528 -11.364
10 HG SER 2 HG SER 2 7.860 -2.073 -11.171
11 HA PRO 3 HA PRO 3 2.953 -0.276 -7.478
12 HB2 PRO 3 1HB PRO 3 3.088 2.373 -7.302
13 HB3 PRO 3 2HB PRO 3 4.034 1.474 -6.321
14 HG2 PRO 3 1HG PRO 3 4.757 2.698 -8.800
15 HG3 PRO 3 2HG PRO 3 5.580 2.738 -7.389
16 HD2 PRO 3 1HD PRO 3 6.257 1.050 -9.248
17 HD3 PRO 3 2HD PRO 3 6.399 0.634 -7.675
18 H THR 4 H THR 4 0.877 0.073 -8.075
19 HA THR 4 HA THR 4 0.569 0.477 -10.839
20 HB THR 4 HB THR 4 -1.873 0.115 -10.284
21 HG1 THR 4 HG1 THR 4 -2.453 0.044 -8.287
22 HG21 THR 4 1HG2 THR 4 -1.584 -2.216 -9.758
23 HG22 THR 4 2HG2 THR 4 -0.051 -1.945 -9.322
24 HG23 THR 4 3HG2 THR 4 -0.487 -1.805 -10.873
25 H PHE 5 H PHE 5 0.675 2.517 -8.293
26 HA PHE 5 HA PHE 5 -1.327 4.287 -8.789
27 HB2 PHE 5 1HB PHE 5 0.061 4.304 -6.807
28 HB3 PHE 5 2HB PHE 5 1.312 4.858 -7.698
29 HD1 PHE 5 HD1 PHE 5 1.525 7.199 -8.249
30 HD2 PHE 5 HD2 PHE 5 -1.818 5.811 -6.208
31 HE1 PHE 5 HE1 PHE 5 0.994 9.465 -7.601
32 HE2 PHE 5 HE2 PHE 5 -2.409 8.080 -5.630
33 HZ PHE 5 HZ PHE 5 -0.986 9.907 -6.308
34 H CYS 6 H CYS 6 1.682 4.092 -10.428
35 HA CYS 6 HA CYS 6 0.947 6.439 -11.904
36 HB2 CYS 6 1HB CYS 6 3.492 5.348 -11.294
37 HB3 CYS 6 2HB CYS 6 3.354 6.293 -12.618
38 H GLN 7 H GLN 7 0.714 3.276 -12.241
39 HA GLN 7 HA GLN 7 1.505 3.002 -14.947
40 HB2 GLN 7 1HB GLN 7 0.096 1.384 -13.095
41 HB3 GLN 7 2HB GLN 7 0.174 0.957 -14.669
42 HG2 GLN 7 1HG GLN 7 2.549 0.881 -14.529
43 HG3 GLN 7 2HG GLN 7 2.469 1.305 -12.954
44 HE21 GLN 7 1HE2 GLN 7 2.351 -1.920 -11.822
45 HE22 GLN 7 2HE2 GLN 7 2.774 -0.265 -11.537
46 H GLY 8 H GLY 8 0.280 3.414 -16.788
47 HA2 GLY 8 1HA GLY 8 -1.666 3.917 -17.895
48 HA3 GLY 8 2HA GLY 8 -2.524 3.803 -16.509
49 H LYS 9 H LYS 9 0.012 5.724 -15.865
50 HA LYS 9 HA LYS 9 -1.454 8.141 -16.472
51 HB2 LYS 9 1HB LYS 9 0.310 7.566 -14.304
52 HB3 LYS 9 2HB LYS 9 -0.027 9.111 -14.710
53 HG2 LYS 9 1HG LYS 9 -2.343 8.654 -14.348
54 HG3 LYS 9 2HG LYS 9 -1.934 7.162 -13.825
55 HD2 LYS 9 1HD LYS 9 -0.509 8.202 -12.238
56 HD3 LYS 9 2HD LYS 9 -1.152 9.635 -12.685
57 HE2 LYS 9 1HE LYS 9 -3.230 9.062 -11.845
58 HE3 LYS 9 2HE LYS 9 -2.794 7.498 -11.670
59 HZ1 LYS 9 1HZ LYS 9 -2.788 8.589 -9.560
60 HZ2 LYS 9 2HZ LYS 9 -1.719 9.669 -10.112
61 HZ3 LYS 9 3HZ LYS 9 -1.287 8.121 -9.938
62 H ALA 10 H ALA 10 -0.370 9.908 -17.456
63 HA ALA 10 HA ALA 10 1.953 9.291 -18.904
64 HB1 ALA 10 1HB ALA 10 0.482 10.963 -19.742
65 HB2 ALA 10 2HB ALA 10 1.934 11.635 -19.508
66 HB3 ALA 10 3HB ALA 10 0.745 11.887 -18.441
67 H ASP 11 H ASP 11 4.145 10.012 -18.481
68 HA ASP 11 HA ASP 11 4.834 10.225 -15.798
69 HB2 ASP 11 1HB ASP 11 6.340 10.625 -18.195
70 HB3 ASP 11 2HB ASP 11 7.020 10.983 -16.754
71 H GLY 12 H GLY 12 5.636 12.089 -14.594
72 HA2 GLY 12 1HA GLY 12 5.908 14.587 -15.061
73 HA3 GLY 12 2HA GLY 12 4.330 14.504 -15.473
74 H LEU 13 H LEU 13 4.276 16.203 -13.649
75 HA LEU 13 HA LEU 13 4.232 14.848 -11.136
76 HB2 LEU 13 1HB LEU 13 4.331 17.698 -11.607
77 HB3 LEU 13 2HB LEU 13 4.362 17.033 -10.116
78 HG LEU 13 HG LEU 13 6.496 17.018 -12.031
79 HD11 LEU 13 1HD1 LEU 13 7.629 18.210 -10.243
80 HD12 LEU 13 2HD1 LEU 13 6.309 18.071 -9.318
81 HD13 LEU 13 3HD1 LEU 13 6.275 18.998 -10.643
82 HD21 LEU 13 1HD2 LEU 13 7.797 15.752 -10.545
83 HD22 LEU 13 2HD2 LEU 13 6.520 14.897 -11.046
84 HD23 LEU 13 3HD2 LEU 13 6.521 15.559 -9.571
85 H TYR 14 H TYR 14 2.538 14.846 -9.700
86 HA TYR 14 HA TYR 14 0.033 15.924 -10.686
87 HB2 TYR 14 1HB TYR 14 0.484 13.335 -9.478
88 HB3 TYR 14 2HB TYR 14 -1.014 13.946 -9.701
89 HD1 TYR 14 HD1 TYR 14 1.861 12.696 -11.411
90 HD2 TYR 14 HD2 TYR 14 -2.107 13.809 -11.864
91 HE1 TYR 14 HE1 TYR 14 1.874 11.787 -13.647
92 HE2 TYR 14 HE2 TYR 14 -2.113 12.871 -14.103
93 HH TYR 14 HH TYR 14 -0.127 10.799 -15.293
94 HA PRO 15 HA PRO 15 -0.063 17.844 -6.835
95 HB2 PRO 15 1HB PRO 15 -2.668 18.228 -6.308
96 HB3 PRO 15 2HB PRO 15 -1.967 19.077 -7.514
97 HG2 PRO 15 1HG PRO 15 -3.452 16.651 -7.729
98 HG3 PRO 15 2HG PRO 15 -3.645 18.020 -8.599
99 HD2 PRO 15 1HD PRO 15 -2.272 16.081 -9.613
100 HD3 PRO 15 2HD PRO 15 -1.768 17.615 -9.859
101 H ASN 16 H ASN 16 -0.067 17.719 -4.714
102 HA ASN 16 HA ASN 16 -0.385 15.061 -3.748
103 HB2 ASN 16 1HB ASN 16 1.024 15.792 -1.966
104 HB3 ASN 16 2HB ASN 16 1.666 16.347 -3.362
105 HD21 ASN 16 1HD2 ASN 16 0.931 18.861 -0.506
106 HD22 ASN 16 2HD2 ASN 16 1.144 17.149 -0.356
107 HA PRO 17 HA PRO 17 -3.877 15.969 -1.503
108 HB2 PRO 17 1HB PRO 17 -3.847 14.387 0.690
109 HB3 PRO 17 2HB PRO 17 -4.045 13.704 -0.780
110 HG2 PRO 17 1HG PRO 17 -1.624 14.002 0.691
111 HG3 PRO 17 2HG PRO 17 -2.199 12.652 -0.026
112 HD2 PRO 17 1HD PRO 17 -0.422 14.084 -1.256
113 HD3 PRO 17 2HD PRO 17 -1.616 13.379 -2.119
114 H ARG 18 H ARG 18 -1.116 16.342 0.586
115 HA ARG 18 HA ARG 18 -2.147 18.828 1.307
116 HB2 ARG 18 1HB ARG 18 -3.358 17.431 2.899
117 HB3 ARG 18 2HB ARG 18 -1.929 16.956 3.530
118 HG2 ARG 18 1HG ARG 18 -1.526 19.230 4.225
119 HG3 ARG 18 2HG ARG 18 -3.015 19.629 3.684
120 HD2 ARG 18 1HD ARG 18 -2.524 17.739 5.803
121 HD3 ARG 18 2HD ARG 18 -3.024 19.275 6.041
122 HE ARG 18 HE ARG 18 -4.855 18.073 4.372
123 HH11 ARG 18 1HH1 ARG 18 -6.805 17.331 5.101
124 HH12 ARG 18 2HH1 ARG 18 -7.045 16.985 6.781
125 HH21 ARG 18 1HH2 ARG 18 -3.862 17.884 7.743
126 HH22 ARG 18 2HH2 ARG 18 -5.407 17.292 8.254
127 H GLU 19 H GLU 19 -0.136 16.836 3.273
128 HA GLU 19 HA GLU 19 1.789 17.350 4.233
129 HB2 GLU 19 1HB GLU 19 2.555 17.345 1.444
130 HB3 GLU 19 2HB GLU 19 3.642 17.151 2.647
131 HG2 GLU 19 1HG GLU 19 3.165 15.029 1.823
132 HG3 GLU 19 2HG GLU 19 2.456 15.132 3.291
133 H ARG 20 H ARG 20 3.304 19.128 1.769
134 HA ARG 20 HA ARG 20 2.834 21.637 2.984
135 HB2 ARG 20 1HB ARG 20 4.666 20.490 4.289
136 HB3 ARG 20 2HB ARG 20 5.606 20.783 2.986
137 HG2 ARG 20 1HG ARG 20 4.308 22.937 4.319
138 HG3 ARG 20 2HG ARG 20 5.724 22.357 4.889
139 HD2 ARG 20 1HD ARG 20 6.786 22.941 2.833
140 HD3 ARG 20 2HD ARG 20 5.370 23.532 2.274
141 HE ARG 20 HE ARG 20 7.107 24.779 4.170
142 HH11 ARG 20 1HH1 ARG 20 3.951 24.919 2.598
143 HH12 ARG 20 2HH1 ARG 20 3.709 26.573 3.051
144 HH21 ARG 20 1HH2 ARG 20 6.713 26.881 4.712
145 HH22 ARG 20 2HH2 ARG 20 5.245 27.662 4.226
146 H SER 21 H SER 21 5.264 20.135 1.022
147 HA SER 21 HA SER 21 4.591 21.754 -1.230
148 HB2 SER 21 1HB SER 21 6.902 22.517 -1.493
149 HB3 SER 21 2HB SER 21 6.156 23.181 -0.201
150 HG SER 21 HG SER 21 7.194 21.801 1.149
151 H SER 22 H SER 22 4.310 19.088 -0.727
152 HA SER 22 HA SER 22 6.394 17.796 -2.211
153 HB2 SER 22 1HB SER 22 5.362 15.724 -1.427
154 HB3 SER 22 2HB SER 22 5.749 16.697 -0.173
155 HG SER 22 HG SER 22 3.260 16.541 -1.342
156 H PHE 23 H PHE 23 5.706 16.038 -3.800
157 HA PHE 23 HA PHE 23 3.150 16.537 -4.975
158 HB2 PHE 23 1HB PHE 23 4.173 16.570 -7.221
159 HB3 PHE 23 2HB PHE 23 4.415 17.924 -6.341
160 HD1 PHE 23 HD1 PHE 23 6.530 18.785 -6.128
161 HD2 PHE 23 HD2 PHE 23 6.100 14.787 -7.146
162 HE1 PHE 23 HE1 PHE 23 8.914 18.612 -6.408
163 HE2 PHE 23 HE2 PHE 23 8.481 14.613 -7.489
164 HZ PHE 23 HZ PHE 23 9.896 16.528 -7.103
165 H TYR 24 H TYR 24 2.647 14.884 -6.713
166 HA TYR 24 HA TYR 24 3.816 12.325 -6.050
167 HB2 TYR 24 1HB TYR 24 1.469 13.015 -7.542
168 HB3 TYR 24 2HB TYR 24 2.087 11.503 -7.586
169 HD1 TYR 24 HD1 TYR 24 2.563 10.646 -4.991
170 HD2 TYR 24 HD2 TYR 24 -0.481 13.150 -6.291
171 HE1 TYR 24 HE1 TYR 24 1.227 10.003 -3.090
172 HE2 TYR 24 HE2 TYR 24 -1.821 12.513 -4.385
173 HH TYR 24 HH TYR 24 -2.080 10.700 -2.792
174 H SER 25 H SER 25 5.222 11.387 -7.642
175 HA SER 25 HA SER 25 5.378 12.796 -10.158
176 HB2 SER 25 1HB SER 25 7.344 13.328 -8.888
177 HB3 SER 25 2HB SER 25 7.646 11.738 -8.669
178 HG SER 25 HG SER 25 8.950 12.407 -10.260
179 H CYS 26 H CYS 26 5.255 11.578 -11.966
180 HA CYS 26 HA CYS 26 5.507 8.719 -11.612
181 HB2 CYS 26 1HB CYS 26 4.030 10.132 -13.581
182 HB3 CYS 26 2HB CYS 26 4.230 8.511 -13.579
183 H ALA 27 H ALA 27 7.242 7.769 -12.550
184 HA ALA 27 HA ALA 27 8.425 8.994 -14.873
185 HB1 ALA 27 1HB ALA 27 9.754 9.872 -13.096
186 HB2 ALA 27 2HB ALA 27 10.647 8.820 -13.938
187 HB3 ALA 27 3HB ALA 27 10.008 8.384 -12.518
188 H ALA 28 H ALA 28 8.659 7.424 -16.410
189 HA ALA 28 HA ALA 28 8.530 5.406 -17.290
190 HB1 ALA 28 1HB ALA 28 10.791 5.140 -16.442
191 HB2 ALA 28 2HB ALA 28 10.063 3.697 -16.487
192 HB3 ALA 28 3HB ALA 28 10.211 4.484 -15.082
193 H GLY 29 H GLY 29 6.384 6.143 -15.602
194 HA2 GLY 29 1HA GLY 29 4.478 5.145 -14.922
195 HA3 GLY 29 2HA GLY 29 5.059 3.690 -15.381
196 H ARG 30 H ARG 30 7.098 5.209 -13.218
197 HA ARG 30 HA ARG 30 6.123 3.533 -11.077
198 HB2 ARG 30 1HB ARG 30 8.759 4.680 -11.063
199 HB3 ARG 30 2HB ARG 30 8.252 3.365 -10.239
200 HG2 ARG 30 1HG ARG 30 8.791 3.447 -13.061
201 HG3 ARG 30 2HG ARG 30 9.727 2.716 -11.941
202 HD2 ARG 30 1HD ARG 30 8.144 1.045 -11.611
203 HD3 ARG 30 2HD ARG 30 7.042 1.841 -12.515
204 HE ARG 30 HE ARG 30 8.073 1.195 -14.472
205 HH11 ARG 30 1HH1 ARG 30 9.840 0.008 -11.664
206 HH12 ARG 30 2HH1 ARG 30 10.809 -1.058 -12.626
207 HH21 ARG 30 1HH2 ARG 30 9.360 -0.166 -15.621
208 HH22 ARG 30 2HH2 ARG 30 10.540 -1.153 -14.827
209 H LEU 31 H LEU 31 5.997 4.393 -8.906
210 HA LEU 31 HA LEU 31 5.490 7.184 -8.961
211 HB2 LEU 31 1HB LEU 31 3.828 5.874 -7.906
212 HB3 LEU 31 2HB LEU 31 4.943 5.165 -6.947
213 HG LEU 31 HG LEU 31 5.165 7.199 -5.722
214 HD11 LEU 31 1HD1 LEU 31 3.669 9.018 -6.049
215 HD12 LEU 31 2HD1 LEU 31 3.055 8.288 -7.354
216 HD13 LEU 31 3HD1 LEU 31 4.589 8.800 -7.361
217 HD21 LEU 31 1HD2 LEU 31 3.039 7.062 -4.591
218 HD22 LEU 31 2HD2 LEU 31 3.593 5.578 -4.916
219 HD23 LEU 31 3HD2 LEU 31 2.432 6.227 -5.835
220 H PHE 32 H PHE 32 6.781 8.738 -8.235
221 HA PHE 32 HA PHE 32 8.551 8.088 -6.031
222 HB2 PHE 32 1HB PHE 32 9.009 9.998 -8.123
223 HB3 PHE 32 2HB PHE 32 9.906 9.952 -6.759
224 HD1 PHE 32 HD1 PHE 32 9.003 7.949 -9.623
225 HD2 PHE 32 HD2 PHE 32 11.800 8.537 -6.608
226 HE1 PHE 32 HE1 PHE 32 10.452 6.340 -10.677
227 HE2 PHE 32 HE2 PHE 32 13.265 6.916 -7.642
228 HZ PHE 32 HZ PHE 32 12.592 5.818 -9.689
229 H GLN 33 H GLN 33 8.086 9.300 -4.125
230 HA GLN 33 HA GLN 33 6.216 11.528 -4.443
231 HB2 GLN 33 1HB GLN 33 6.556 9.858 -2.147
232 HB3 GLN 33 2HB GLN 33 5.577 11.163 -2.205
233 HG2 GLN 33 1HG GLN 33 4.248 10.074 -3.870
234 HG3 GLN 33 2HG GLN 33 5.212 8.760 -3.765
235 HE21 GLN 33 1HE2 GLN 33 3.578 7.321 -1.112
236 HE22 GLN 33 2HE2 GLN 33 4.759 7.167 -2.370
237 H GLN 34 H GLN 34 7.298 13.464 -4.351
238 HA GLN 34 HA GLN 34 9.636 13.632 -2.683
239 HB2 GLN 34 1HB GLN 34 9.646 14.219 -5.515
240 HB3 GLN 34 2HB GLN 34 10.875 14.639 -4.524
241 HG2 GLN 34 1HG GLN 34 11.274 12.317 -4.100
242 HG3 GLN 34 2HG GLN 34 10.112 11.947 -5.187
243 HE21 GLN 34 1HE2 GLN 34 12.017 12.656 -8.048
244 HE22 GLN 34 2HE2 GLN 34 10.396 12.578 -7.440
245 H SER 35 H SER 35 10.561 16.020 -2.781
246 HA SER 35 HA SER 35 8.273 17.738 -2.838
247 HB2 SER 35 1HB SER 35 9.207 18.896 -0.861
248 HB3 SER 35 2HB SER 35 8.919 17.323 -0.530
249 HG SER 35 HG SER 35 10.919 17.827 0.205
250 H CYS 36 H CYS 36 8.522 20.018 -3.038
251 HA CYS 36 HA CYS 36 10.907 20.793 -4.497
252 HB2 CYS 36 1HB CYS 36 8.306 20.839 -5.286
253 HB3 CYS 36 2HB CYS 36 8.875 22.369 -5.236
254 HA PRO 37 HA PRO 37 9.918 23.376 -1.011
255 HB2 PRO 37 1HB PRO 37 11.997 23.113 0.679
256 HB3 PRO 37 2HB PRO 37 10.909 21.898 0.585
257 HG2 PRO 37 1HG PRO 37 13.456 22.073 -0.696
258 HG3 PRO 37 2HG PRO 37 12.782 20.769 0.019
259 HD2 PRO 37 1HD PRO 37 12.727 21.144 -2.609
260 HD3 PRO 37 2HD PRO 37 11.630 20.217 -1.832
261 H THR 38 H THR 38 13.336 23.711 -1.709
262 HA THR 38 HA THR 38 13.104 26.403 -1.005
263 HB THR 38 HB THR 38 15.580 26.249 -1.909
264 HG1 THR 38 HG1 THR 38 15.464 23.658 -1.261
265 HG21 THR 38 1HG2 THR 38 16.278 25.388 0.212
266 HG22 THR 38 2HG2 THR 38 14.783 24.847 0.503
267 HG23 THR 38 3HG2 THR 38 15.071 26.437 0.454
268 H GLY 39 H GLY 39 12.202 27.913 -2.266
269 HA2 GLY 39 1HA GLY 39 12.280 29.322 -4.033
270 HA3 GLY 39 2HA GLY 39 13.613 28.562 -4.591
271 H LEU 40 H LEU 40 10.892 26.595 -4.139
272 HA LEU 40 HA LEU 40 10.543 26.510 -6.998
273 HB2 LEU 40 1HB LEU 40 10.806 24.293 -5.151
274 HB3 LEU 40 2HB LEU 40 10.318 24.066 -6.693
275 HG LEU 40 HG LEU 40 12.873 25.245 -6.267
276 HD11 LEU 40 1HD1 LEU 40 13.913 23.081 -6.104
277 HD12 LEU 40 2HD1 LEU 40 12.456 22.382 -6.053
278 HD13 LEU 40 3HD1 LEU 40 12.943 23.326 -4.834
279 HD21 LEU 40 1HD2 LEU 40 13.396 24.142 -8.331
280 HD22 LEU 40 2HD2 LEU 40 12.085 25.070 -8.513
281 HD23 LEU 40 3HD2 LEU 40 11.925 23.470 -8.348
282 H VAL 41 H VAL 41 8.556 25.894 -7.907
283 HA VAL 41 HA VAL 41 6.408 25.603 -6.053
284 HB VAL 41 HB VAL 41 5.002 27.179 -7.401
285 HG11 VAL 41 1HG1 VAL 41 5.864 29.181 -6.376
286 HG12 VAL 41 2HG1 VAL 41 7.248 28.416 -6.038
287 HG13 VAL 41 3HG1 VAL 41 5.876 27.963 -5.312
288 HG21 VAL 41 1HG2 VAL 41 6.125 28.752 -8.839
289 HG22 VAL 41 2HG2 VAL 41 6.324 27.249 -9.403
290 HG23 VAL 41 3HG2 VAL 41 7.525 27.978 -8.602
291 H PHE 42 H PHE 42 4.520 24.420 -6.852
292 HA PHE 42 HA PHE 42 5.168 22.884 -9.172
293 HB2 PHE 42 1HB PHE 42 4.421 21.561 -7.400
294 HB3 PHE 42 2HB PHE 42 3.105 22.503 -7.180
295 HD1 PHE 42 HD1 PHE 42 4.421 20.791 -10.128
296 HD2 PHE 42 HD2 PHE 42 1.150 21.282 -7.605
297 HE1 PHE 42 HE1 PHE 42 3.096 19.399 -11.581
298 HE2 PHE 42 HE2 PHE 42 -0.161 19.820 -9.020
299 HZ PHE 42 HZ PHE 42 0.819 18.882 -11.016
300 H SER 43 H SER 43 4.256 23.107 -11.164
301 HA SER 43 HA SER 43 1.891 24.763 -11.326
302 HB2 SER 43 1HB SER 43 3.659 25.824 -12.483
303 HB3 SER 43 2HB SER 43 3.971 24.461 -13.325
304 HG SER 43 HG SER 43 2.791 25.425 -14.738
305 H ASN 44 H ASN 44 0.106 23.487 -11.521
306 HA ASN 44 HA ASN 44 0.316 20.900 -12.447
307 HB2 ASN 44 1HB ASN 44 -1.470 21.610 -10.986
308 HB3 ASN 44 2HB ASN 44 -2.125 22.461 -12.217
309 HD21 ASN 44 1HD2 ASN 44 -4.201 19.883 -13.092
310 HD22 ASN 44 2HD2 ASN 44 -3.973 21.582 -12.843
311 H SER 45 H SER 45 -0.344 23.803 -14.137
312 HA SER 45 HA SER 45 -1.352 22.606 -16.452
313 HB2 SER 45 1HB SER 45 -0.722 24.819 -17.465
314 HB3 SER 45 2HB SER 45 -1.778 24.893 -16.222
315 HG SER 45 HG SER 45 -0.355 25.746 -14.954
316 H CYS 46 H CYS 46 1.830 23.402 -15.385
317 HA CYS 46 HA CYS 46 3.082 22.633 -17.793
318 HB2 CYS 46 1HB CYS 46 4.056 24.172 -16.306
319 HB3 CYS 46 2HB CYS 46 4.163 23.005 -15.169
320 H LYS 47 H LYS 47 1.872 21.088 -15.108
321 HA LYS 47 HA LYS 47 2.080 19.030 -14.209
322 HB2 LYS 47 1HB LYS 47 1.785 18.534 -16.763
323 HB3 LYS 47 2HB LYS 47 3.166 17.718 -16.455
324 HG2 LYS 47 1HG LYS 47 1.406 16.234 -16.264
325 HG3 LYS 47 2HG LYS 47 2.002 16.489 -14.765
326 HD2 LYS 47 1HD LYS 47 0.238 18.078 -14.372
327 HD3 LYS 47 2HD LYS 47 -0.380 17.721 -15.840
328 HE2 LYS 47 1HE LYS 47 -0.849 15.542 -15.159
329 HE3 LYS 47 2HE LYS 47 -0.113 15.800 -13.724
330 HZ1 LYS 47 1HZ LYS 47 -2.466 16.031 -13.488
331 HZ2 LYS 47 2HZ LYS 47 -2.471 17.191 -14.614
332 HZ3 LYS 47 3HZ LYS 47 -1.742 17.447 -13.194
333 H CYS 48 H CYS 48 4.177 20.909 -14.016
334 HA CYS 48 HA CYS 48 6.354 19.192 -13.383
335 HB2 CYS 48 1HB CYS 48 7.892 20.227 -14.643
336 HB3 CYS 48 2HB CYS 48 6.601 20.112 -15.636
337 H CYS 49 H CYS 49 8.134 20.368 -12.156
338 HA CYS 49 HA CYS 49 6.974 22.428 -10.480
339 HB2 CYS 49 1HB CYS 49 7.804 20.544 -9.388
340 HB3 CYS 49 2HB CYS 49 9.275 20.817 -10.043
341 H THR 50 H THR 50 7.836 24.523 -10.554
342 HA THR 50 HA THR 50 10.075 24.825 -12.319
343 HB THR 50 HB THR 50 9.100 27.054 -12.936
344 HG1 THR 50 HG1 THR 50 6.697 26.905 -12.336
345 HG21 THR 50 1HG2 THR 50 7.357 26.209 -14.338
346 HG22 THR 50 2HG2 THR 50 7.311 24.836 -13.486
347 HG23 THR 50 3HG2 THR 50 8.605 25.182 -14.393
348 H TRP 51 H TRP 51 11.490 26.720 -11.967
349 HA TRP 51 HA TRP 51 11.933 27.238 -9.241
350 HB2 TRP 51 1HB TRP 51 13.624 27.293 -11.025
351 HB3 TRP 51 2HB TRP 51 13.056 28.781 -11.384
352 HD1 TRP 51 HD1 TRP 51 14.424 27.110 -8.303
353 HE1 TRP 51 HE1 TRP 51 15.853 28.659 -6.949
354 HE3 TRP 51 HE3 TRP 51 13.824 31.166 -11.170
355 HZ2 TRP 51 HZ2 TRP 51 16.625 31.359 -7.201
356 HZ3 TRP 51 HZ3 TRP 51 14.954 33.213 -10.549
357 HH2 TRP 51 HH2 TRP 51 16.344 33.296 -8.577
358 H ASN 52 H ASN 52 11.235 28.942 -7.973
359 HA ASN 52 HA ASN 52 8.978 30.299 -8.899
360 HB2 ASN 52 1HB ASN 52 9.357 29.625 -6.573
361 HB3 ASN 52 2HB ASN 52 10.412 30.865 -6.448
362 HD21 ASN 52 1HD2 ASN 52 7.736 32.583 -5.050
363 HD22 ASN 52 2HD2 ASN 52 9.188 31.705 -4.702
364 H GLY 53 H GLY 53 8.625 32.580 -9.230
365 HA2 GLY 53 1HA GLY 53 9.415 34.722 -9.531
366 HA3 GLY 53 2HA GLY 53 10.952 34.232 -9.273
367 H LEU 54 H LEU 54 9.348 32.289 -11.431
368 HA LEU 54 HA LEU 54 10.898 32.943 -13.610
369 HB2 LEU 54 1HB LEU 54 9.766 30.875 -13.386
370 HB3 LEU 54 2HB LEU 54 8.344 31.636 -13.643
371 HG LEU 54 HG LEU 54 8.948 32.077 -15.880
372 HD11 LEU 54 1HD1 LEU 54 10.962 31.261 -16.867
373 HD12 LEU 54 2HD1 LEU 54 11.476 30.738 -15.425
374 HD13 LEU 54 3HD1 LEU 54 11.322 32.324 -15.702
375 HD21 LEU 54 1HD2 LEU 54 8.957 29.786 -16.613
376 HD22 LEU 54 2HD2 LEU 54 7.938 29.966 -15.371
377 HD23 LEU 54 3HD2 LEU 54 9.400 29.320 -15.130
378 H VAL 55 H VAL 55 10.875 34.655 -14.986
379 HA VAL 55 HA VAL 55 8.709 36.477 -14.798
380 HB VAL 55 HB VAL 55 11.091 36.689 -16.461
381 HG11 VAL 55 1HG1 VAL 55 10.594 39.034 -16.655
382 HG12 VAL 55 2HG1 VAL 55 9.232 38.819 -15.809
383 HG13 VAL 55 3HG1 VAL 55 9.385 38.158 -17.277
384 HG21 VAL 55 1HG2 VAL 55 11.973 38.147 -14.736
385 HG22 VAL 55 2HG2 VAL 55 11.682 36.682 -14.117
386 HG23 VAL 55 3HG2 VAL 55 10.649 37.895 -13.844
387 HA PRO 56 HA PRO 56 6.893 34.497 -18.258
388 HB2 PRO 56 1HB PRO 56 4.574 35.812 -18.490
389 HB3 PRO 56 2HB PRO 56 4.783 34.848 -17.187
390 HG2 PRO 56 1HG PRO 56 5.217 37.665 -17.354
391 HG3 PRO 56 2HG PRO 56 4.344 36.857 -16.236
392 HD2 PRO 56 1HD PRO 56 6.803 37.527 -15.703
393 HD3 PRO 56 2HD PRO 56 6.220 36.106 -15.148
394 H ARG 57 H ARG 57 7.824 37.630 -18.276
395 HA ARG 57 HA ARG 57 8.392 39.039 -19.883
396 HB2 ARG 57 1HB ARG 57 8.422 36.832 -21.748
397 HB3 ARG 57 2HB ARG 57 9.138 38.276 -22.013
398 HG2 ARG 57 1HG ARG 57 9.957 36.439 -19.963
399 HG3 ARG 57 2HG ARG 57 10.708 36.594 -21.405
400 HD2 ARG 57 1HD ARG 57 11.236 38.870 -20.857
401 HD3 ARG 57 2HD ARG 57 10.544 38.659 -19.393
402 HE ARG 57 HE ARG 57 12.350 37.474 -18.629
403 HH11 ARG 57 1HH1 ARG 57 12.702 38.185 -22.062
404 HH12 ARG 57 2HH1 ARG 57 14.368 37.711 -22.072
405 HH21 ARG 57 1HH2 ARG 57 14.475 36.898 -18.726
406 HH22 ARG 57 2HH2 ARG 57 15.352 36.996 -20.216
Start of MODEL 6
1 H1 GLY 1 1H GLY 1 7.767 -5.827 -5.303
2 H2 GLY 1 2H GLY 1 7.683 -4.344 -4.663
3 H3 GLY 1 3H GLY 1 8.453 -4.578 -6.066
4 HA2 GLY 1 1HA GLY 1 6.404 -5.143 -7.105
5 HA3 GLY 1 2HA GLY 1 5.627 -4.907 -5.688
6 H SER 2 H SER 2 4.338 -3.420 -7.236
7 HA SER 2 HA SER 2 5.349 -0.770 -6.797
8 HB2 SER 2 1HB SER 2 6.150 -1.220 -9.018
9 HB3 SER 2 2HB SER 2 4.632 -1.591 -9.492
10 HG SER 2 HG SER 2 4.848 0.407 -10.147
11 HA PRO 3 HA PRO 3 1.010 -0.549 -6.208
12 HB2 PRO 3 1HB PRO 3 0.554 2.034 -5.812
13 HB3 PRO 3 2HB PRO 3 1.402 1.228 -4.672
14 HG2 PRO 3 1HG PRO 3 2.429 2.809 -6.817
15 HG3 PRO 3 2HG PRO 3 2.834 2.890 -5.237
16 HD2 PRO 3 1HD PRO 3 4.323 1.541 -6.897
17 HD3 PRO 3 2HD PRO 3 4.143 1.025 -5.357
18 H THR 4 H THR 4 -1.009 0.159 -7.122
19 HA THR 4 HA THR 4 -0.756 0.426 -9.911
20 HB THR 4 HB THR 4 -3.290 0.425 -9.793
21 HG1 THR 4 HG1 THR 4 -4.216 0.518 -7.929
22 HG21 THR 4 1HG2 THR 4 -3.424 -1.880 -9.149
23 HG22 THR 4 2HG2 THR 4 -1.968 -1.791 -8.454
24 HG23 THR 4 3HG2 THR 4 -2.104 -1.682 -10.061
25 H PHE 5 H PHE 5 -0.402 2.591 -7.667
26 HA PHE 5 HA PHE 5 -2.104 4.640 -8.219
27 HB2 PHE 5 1HB PHE 5 -0.598 4.464 -6.314
28 HB3 PHE 5 2HB PHE 5 0.641 4.864 -7.301
29 HD1 PHE 5 HD1 PHE 5 1.110 7.137 -7.860
30 HD2 PHE 5 HD2 PHE 5 -2.308 6.168 -5.695
31 HE1 PHE 5 HE1 PHE 5 0.858 9.458 -7.252
32 HE2 PHE 5 HE2 PHE 5 -2.615 8.488 -5.124
33 HZ PHE 5 HZ PHE 5 -1.018 10.146 -5.899
34 H CYS 6 H CYS 6 1.014 4.106 -9.702
35 HA CYS 6 HA CYS 6 0.458 6.290 -11.468
36 HB2 CYS 6 1HB CYS 6 2.849 4.901 -10.852
37 HB3 CYS 6 2HB CYS 6 2.778 5.752 -12.244
38 H GLN 7 H GLN 7 -0.210 3.152 -11.490
39 HA GLN 7 HA GLN 7 0.582 2.464 -14.108
40 HB2 GLN 7 1HB GLN 7 -1.194 1.294 -12.212
41 HB3 GLN 7 2HB GLN 7 -0.965 0.637 -13.689
42 HG2 GLN 7 1HG GLN 7 1.368 0.356 -13.176
43 HG3 GLN 7 2HG GLN 7 1.094 0.950 -11.680
44 HE21 GLN 7 1HE2 GLN 7 0.852 -2.280 -10.506
45 HE22 GLN 7 2HE2 GLN 7 1.716 -0.779 -10.464
46 H GLY 8 H GLY 8 -0.495 2.766 -16.040
47 HA2 GLY 8 1HA GLY 8 -2.259 3.397 -17.341
48 HA3 GLY 8 2HA GLY 8 -3.225 3.508 -16.029
49 H LYS 9 H LYS 9 -0.379 5.220 -15.685
50 HA LYS 9 HA LYS 9 -1.717 7.688 -16.382
51 HB2 LYS 9 1HB LYS 9 -0.094 7.117 -14.115
52 HB3 LYS 9 2HB LYS 9 -0.053 8.638 -14.708
53 HG2 LYS 9 1HG LYS 9 -1.649 8.805 -13.162
54 HG3 LYS 9 2HG LYS 9 -2.535 8.515 -14.503
55 HD2 LYS 9 1HD LYS 9 -2.740 6.289 -13.967
56 HD3 LYS 9 2HD LYS 9 -1.674 6.440 -12.739
57 HE2 LYS 9 1HE LYS 9 -3.255 7.822 -11.594
58 HE3 LYS 9 2HE LYS 9 -4.329 7.530 -12.790
59 HZ1 LYS 9 1HZ LYS 9 -4.659 5.981 -11.001
60 HZ2 LYS 9 2HZ LYS 9 -3.128 5.481 -11.149
61 HZ3 LYS 9 3HZ LYS 9 -4.191 5.192 -12.333
62 H ALA 10 H ALA 10 -0.433 9.386 -17.281
63 HA ALA 10 HA ALA 10 1.746 8.487 -18.846
64 HB1 ALA 10 1HB ALA 10 0.363 10.204 -19.743
65 HB2 ALA 10 2HB ALA 10 1.863 10.789 -19.590
66 HB3 ALA 10 3HB ALA 10 0.727 11.183 -18.508
67 H ASP 11 H ASP 11 3.999 9.241 -18.575
68 HA ASP 11 HA ASP 11 4.771 9.507 -15.912
69 HB2 ASP 11 1HB ASP 11 6.239 9.773 -18.355
70 HB3 ASP 11 2HB ASP 11 6.956 10.181 -16.945
71 H GLY 12 H GLY 12 5.607 11.385 -14.782
72 HA2 GLY 12 1HA GLY 12 5.945 13.863 -15.353
73 HA3 GLY 12 2HA GLY 12 4.354 13.806 -15.718
74 H LEU 13 H LEU 13 4.466 15.579 -13.917
75 HA LEU 13 HA LEU 13 4.538 14.328 -11.356
76 HB2 LEU 13 1HB LEU 13 4.291 17.144 -11.943
77 HB3 LEU 13 2HB LEU 13 4.459 16.543 -10.434
78 HG LEU 13 HG LEU 13 6.500 16.635 -12.450
79 HD11 LEU 13 1HD1 LEU 13 7.613 18.089 -10.848
80 HD12 LEU 13 2HD1 LEU 13 6.359 17.932 -9.839
81 HD13 LEU 13 3HD1 LEU 13 6.175 18.714 -11.242
82 HD21 LEU 13 1HD2 LEU 13 7.987 15.622 -10.896
83 HD22 LEU 13 2HD2 LEU 13 6.782 14.609 -11.267
84 HD23 LEU 13 3HD2 LEU 13 6.764 15.406 -9.860
85 H TYR 14 H TYR 14 2.848 14.563 -9.748
86 HA TYR 14 HA TYR 14 0.268 15.355 -10.798
87 HB2 TYR 14 1HB TYR 14 0.811 12.837 -9.524
88 HB3 TYR 14 2HB TYR 14 -0.706 13.422 -9.682
89 HD1 TYR 14 HD1 TYR 14 2.041 12.014 -11.455
90 HD2 TYR 14 HD2 TYR 14 -1.840 13.416 -11.876
91 HE1 TYR 14 HE1 TYR 14 1.967 11.115 -13.696
92 HE2 TYR 14 HE2 TYR 14 -1.927 12.497 -14.115
93 HH TYR 14 HH TYR 14 -0.103 10.283 -15.328
94 HA PRO 15 HA PRO 15 0.233 17.570 -7.191
95 HB2 PRO 15 1HB PRO 15 -2.373 17.936 -6.570
96 HB3 PRO 15 2HB PRO 15 -1.746 18.691 -7.876
97 HG2 PRO 15 1HG PRO 15 -3.159 16.211 -7.811
98 HG3 PRO 15 2HG PRO 15 -3.429 17.487 -8.794
99 HD2 PRO 15 1HD PRO 15 -2.034 15.515 -9.691
100 HD3 PRO 15 2HD PRO 15 -1.570 17.034 -10.073
101 H ASN 16 H ASN 16 0.435 17.695 -5.122
102 HA ASN 16 HA ASN 16 0.216 15.236 -3.754
103 HB2 ASN 16 1HB ASN 16 1.511 16.318 -2.091
104 HB3 ASN 16 2HB ASN 16 2.144 16.687 -3.551
105 HD21 ASN 16 1HD2 ASN 16 1.198 19.553 -1.136
106 HD22 ASN 16 2HD2 ASN 16 1.522 17.903 -0.723
107 HA PRO 17 HA PRO 17 -3.361 16.266 -1.779
108 HB2 PRO 17 1HB PRO 17 -3.586 14.529 0.267
109 HB3 PRO 17 2HB PRO 17 -3.426 13.901 -1.232
110 HG2 PRO 17 1HG PRO 17 -1.358 14.363 0.693
111 HG3 PRO 17 2HG PRO 17 -1.641 12.993 -0.150
112 HD2 PRO 17 1HD PRO 17 0.161 14.729 -0.958
113 HD3 PRO 17 2HD PRO 17 -0.659 13.812 -2.032
114 H ARG 18 H ARG 18 -0.794 16.885 0.373
115 HA ARG 18 HA ARG 18 -2.587 18.494 1.869
116 HB2 ARG 18 1HB ARG 18 -0.785 16.529 3.092
117 HB3 ARG 18 2HB ARG 18 -1.581 17.624 4.007
118 HG2 ARG 18 1HG ARG 18 -3.614 16.601 3.539
119 HG3 ARG 18 2HG ARG 18 -2.892 15.573 2.495
120 HD2 ARG 18 1HD ARG 18 -1.675 14.592 4.259
121 HD3 ARG 18 2HD ARG 18 -2.304 15.666 5.316
122 HE ARG 18 HE ARG 18 -4.421 14.337 4.157
123 HH11 ARG 18 1HH1 ARG 18 -5.493 12.707 5.184
124 HH12 ARG 18 2HH1 ARG 18 -4.747 11.833 6.480
125 HH21 ARG 18 1HH2 ARG 18 -1.804 13.614 6.391
126 HH22 ARG 18 2HH2 ARG 18 -2.693 12.337 7.152
127 H GLU 19 H GLU 19 0.658 17.845 1.190
128 HA GLU 19 HA GLU 19 1.693 19.788 2.919
129 HB2 GLU 19 1HB GLU 19 3.100 18.462 0.768
130 HB3 GLU 19 2HB GLU 19 3.799 19.142 2.078
131 HG2 GLU 19 1HG GLU 19 3.916 16.890 2.480
132 HG3 GLU 19 2HG GLU 19 2.677 17.401 3.413
133 H ARG 20 H ARG 20 3.504 21.394 1.920
134 HA ARG 20 HA ARG 20 1.966 23.085 0.303
135 HB2 ARG 20 1HB ARG 20 3.703 23.677 2.093
136 HB3 ARG 20 2HB ARG 20 4.733 23.687 0.825
137 HG2 ARG 20 1HG ARG 20 2.485 25.456 1.160
138 HG3 ARG 20 2HG ARG 20 4.056 25.885 1.295
139 HD2 ARG 20 1HD ARG 20 4.340 25.449 -1.051
140 HD3 ARG 20 2HD ARG 20 2.742 25.129 -1.160
141 HE ARG 20 HE ARG 20 2.214 27.357 -1.048
142 HH11 ARG 20 1HH1 ARG 20 5.679 26.893 -0.568
143 HH12 ARG 20 2HH1 ARG 20 6.011 28.580 -0.780
144 HH21 ARG 20 1HH2 ARG 20 2.727 29.476 -1.312
145 HH22 ARG 20 2HH2 ARG 20 4.369 30.014 -1.194
146 H SER 21 H SER 21 5.247 21.979 -0.270
147 HA SER 21 HA SER 21 4.723 22.312 -3.061
148 HB2 SER 21 1HB SER 21 7.332 22.630 -1.741
149 HB3 SER 21 2HB SER 21 7.102 22.910 -3.334
150 HG SER 21 HG SER 21 7.139 24.801 -2.109
151 H SER 22 H SER 22 4.670 19.762 -1.379
152 HA SER 22 HA SER 22 6.655 18.213 -2.675
153 HB2 SER 22 1HB SER 22 5.670 16.320 -1.569
154 HB3 SER 22 2HB SER 22 5.829 17.541 -0.495
155 HG SER 22 HG SER 22 3.514 17.218 -1.913
156 H PHE 23 H PHE 23 5.927 16.133 -3.944
157 HA PHE 23 HA PHE 23 3.469 16.434 -5.262
158 HB2 PHE 23 1HB PHE 23 4.475 16.406 -7.527
159 HB3 PHE 23 2HB PHE 23 4.649 17.823 -6.733
160 HD1 PHE 23 HD1 PHE 23 6.722 18.813 -6.608
161 HD2 PHE 23 HD2 PHE 23 6.502 14.744 -7.389
162 HE1 PHE 23 HE1 PHE 23 9.113 18.755 -6.949
163 HE2 PHE 23 HE2 PHE 23 8.878 14.679 -7.759
164 HZ PHE 23 HZ PHE 23 10.194 16.676 -7.525
165 H TYR 24 H TYR 24 3.038 14.653 -6.877
166 HA TYR 24 HA TYR 24 4.418 12.230 -6.118
167 HB2 TYR 24 1HB TYR 24 2.008 12.574 -7.651
168 HB3 TYR 24 2HB TYR 24 2.707 11.121 -7.395
169 HD1 TYR 24 HD1 TYR 24 2.948 10.394 -4.895
170 HD2 TYR 24 HD2 TYR 24 0.280 13.264 -6.248
171 HE1 TYR 24 HE1 TYR 24 1.593 10.056 -2.924
172 HE2 TYR 24 HE2 TYR 24 -1.078 12.933 -4.278
173 HH TYR 24 HH TYR 24 -1.557 11.271 -2.586
174 H SER 25 H SER 25 5.535 11.068 -7.849
175 HA SER 25 HA SER 25 5.542 12.393 -10.403
176 HB2 SER 25 1HB SER 25 7.617 12.960 -9.330
177 HB3 SER 25 2HB SER 25 7.949 11.372 -9.142
178 HG SER 25 HG SER 25 9.041 11.934 -10.896
179 H CYS 26 H CYS 26 5.130 11.010 -12.072
180 HA CYS 26 HA CYS 26 5.355 8.186 -11.492
181 HB2 CYS 26 1HB CYS 26 3.867 9.460 -13.536
182 HB3 CYS 26 2HB CYS 26 3.992 7.841 -13.356
183 H ALA 27 H ALA 27 7.034 7.092 -12.434
184 HA ALA 27 HA ALA 27 8.180 8.150 -14.863
185 HB1 ALA 27 1HB ALA 27 9.594 9.044 -13.152
186 HB2 ALA 27 2HB ALA 27 10.422 7.929 -13.980
187 HB3 ALA 27 3HB ALA 27 9.808 7.567 -12.528
188 H ALA 28 H ALA 28 8.311 6.543 -16.345
189 HA ALA 28 HA ALA 28 8.025 4.503 -17.163
190 HB1 ALA 28 1HB ALA 28 10.264 4.081 -16.359
191 HB2 ALA 28 2HB ALA 28 9.416 2.705 -16.322
192 HB3 ALA 28 3HB ALA 28 9.670 3.535 -14.957
193 H GLY 29 H GLY 29 5.978 5.493 -15.467
194 HA2 GLY 29 1HA GLY 29 4.029 4.712 -14.654
195 HA3 GLY 29 2HA GLY 29 4.444 3.195 -15.094
196 H ARG 30 H ARG 30 6.744 4.482 -13.086
197 HA ARG 30 HA ARG 30 5.724 2.976 -10.841
198 HB2 ARG 30 1HB ARG 30 8.426 3.959 -11.106
199 HB3 ARG 30 2HB ARG 30 7.916 2.813 -10.061
200 HG2 ARG 30 1HG ARG 30 8.168 2.467 -12.900
201 HG3 ARG 30 2HG ARG 30 9.169 1.828 -11.778
202 HD2 ARG 30 1HD ARG 30 7.475 0.389 -11.015
203 HD3 ARG 30 2HD ARG 30 6.380 1.103 -11.994
204 HE ARG 30 HE ARG 30 7.153 -0.043 -13.813
205 HH11 ARG 30 1HH1 ARG 30 9.251 -0.627 -11.039
206 HH12 ARG 30 2HH1 ARG 30 10.087 -1.914 -11.843
207 HH21 ARG 30 1HH2 ARG 30 8.277 -1.682 -14.764
208 HH22 ARG 30 2HH2 ARG 30 9.545 -2.499 -13.912
209 H LEU 31 H LEU 31 5.695 3.888 -8.705
210 HA LEU 31 HA LEU 31 5.282 6.687 -8.848
211 HB2 LEU 31 1HB LEU 31 3.613 5.439 -7.716
212 HB3 LEU 31 2HB LEU 31 4.732 4.794 -6.717
213 HG LEU 31 HG LEU 31 4.963 6.889 -5.622
214 HD11 LEU 31 1HD1 LEU 31 3.503 8.714 -6.105
215 HD12 LEU 31 2HD1 LEU 31 2.884 7.897 -7.356
216 HD13 LEU 31 3HD1 LEU 31 4.426 8.382 -7.390
217 HD21 LEU 31 1HD2 LEU 31 2.822 6.883 -4.518
218 HD22 LEU 31 2HD2 LEU 31 3.337 5.366 -4.739
219 HD23 LEU 31 3HD2 LEU 31 2.207 5.986 -5.716
220 H PHE 32 H PHE 32 6.588 8.244 -8.193
221 HA PHE 32 HA PHE 32 8.420 7.640 -6.031
222 HB2 PHE 32 1HB PHE 32 8.818 9.463 -8.211
223 HB3 PHE 32 2HB PHE 32 9.747 9.499 -6.868
224 HD1 PHE 32 HD1 PHE 32 8.814 7.350 -9.615
225 HD2 PHE 32 HD2 PHE 32 11.659 8.114 -6.686
226 HE1 PHE 32 HE1 PHE 32 10.253 5.692 -10.603
227 HE2 PHE 32 HE2 PHE 32 13.101 6.424 -7.636
228 HZ PHE 32 HZ PHE 32 12.408 5.224 -9.615
229 H GLN 33 H GLN 33 8.052 8.912 -4.156
230 HA GLN 33 HA GLN 33 6.258 11.201 -4.456
231 HB2 GLN 33 1HB GLN 33 6.669 9.519 -2.170
232 HB3 GLN 33 2HB GLN 33 5.820 10.912 -2.110
233 HG2 GLN 33 1HG GLN 33 4.014 9.927 -2.835
234 HG3 GLN 33 2HG GLN 33 4.817 9.245 -4.083
235 HE21 GLN 33 1HE2 GLN 33 3.709 7.047 -0.995
236 HE22 GLN 33 2HE2 GLN 33 3.242 8.698 -1.231
237 H GLN 34 H GLN 34 7.285 13.194 -4.218
238 HA GLN 34 HA GLN 34 9.714 13.169 -2.721
239 HB2 GLN 34 1HB GLN 34 9.552 14.264 -5.412
240 HB3 GLN 34 2HB GLN 34 10.875 14.411 -4.466
241 HG2 GLN 34 1HG GLN 34 11.166 12.040 -4.563
242 HG3 GLN 34 2HG GLN 34 9.898 11.951 -5.588
243 HE21 GLN 34 1HE2 GLN 34 13.277 12.092 -7.289
244 HE22 GLN 34 2HE2 GLN 34 12.782 11.275 -5.845
245 H SER 35 H SER 35 10.591 15.299 -2.134
246 HA SER 35 HA SER 35 8.467 17.245 -1.952
247 HB2 SER 35 1HB SER 35 9.797 18.127 -0.050
248 HB3 SER 35 2HB SER 35 9.197 16.631 0.214
249 HG SER 35 HG SER 35 11.111 15.730 -0.080
250 H CYS 36 H CYS 36 8.748 19.319 -2.740
251 HA CYS 36 HA CYS 36 11.210 19.879 -4.174
252 HB2 CYS 36 1HB CYS 36 8.870 20.188 -4.955
253 HB3 CYS 36 2HB CYS 36 9.044 21.615 -4.179
254 HA PRO 37 HA PRO 37 12.035 21.813 -0.394
255 HB2 PRO 37 1HB PRO 37 14.554 22.650 -0.676
256 HB3 PRO 37 2HB PRO 37 14.268 21.045 -0.776
257 HG2 PRO 37 1HG PRO 37 14.550 22.907 -2.905
258 HG3 PRO 37 2HG PRO 37 15.254 21.441 -2.752
259 HD2 PRO 37 1HD PRO 37 13.080 21.764 -4.202
260 HD3 PRO 37 2HD PRO 37 13.394 20.347 -3.454
261 H THR 38 H THR 38 14.080 24.259 -1.410
262 HA THR 38 HA THR 38 12.062 26.070 -0.513
263 HB THR 38 HB THR 38 14.046 26.074 0.894
264 HG1 THR 38 HG1 THR 38 14.510 28.469 0.433
265 HG21 THR 38 1HG2 THR 38 16.112 26.947 0.074
266 HG22 THR 38 2HG2 THR 38 15.476 27.117 -1.402
267 HG23 THR 38 3HG2 THR 38 15.716 25.640 -0.791
268 H GLY 39 H GLY 39 11.729 28.193 -1.397
269 HA2 GLY 39 1HA GLY 39 11.871 29.723 -3.050
270 HA3 GLY 39 2HA GLY 39 13.168 28.953 -3.677
271 H LEU 40 H LEU 40 10.749 26.777 -3.454
272 HA LEU 40 HA LEU 40 9.885 27.274 -6.140
273 HB2 LEU 40 1HB LEU 40 10.705 24.679 -5.144
274 HB3 LEU 40 2HB LEU 40 10.183 24.954 -6.667
275 HG LEU 40 HG LEU 40 12.669 25.971 -5.675
276 HD11 LEU 40 1HD1 LEU 40 13.734 24.172 -6.890
277 HD12 LEU 40 2HD1 LEU 40 12.281 23.570 -7.268
278 HD13 LEU 40 3HD1 LEU 40 12.782 23.569 -5.730
279 HD21 LEU 40 1HD2 LEU 40 13.217 26.343 -7.956
280 HD22 LEU 40 2HD2 LEU 40 11.900 27.184 -7.543
281 HD23 LEU 40 3HD2 LEU 40 11.752 25.819 -8.397
282 H VAL 41 H VAL 41 7.885 26.298 -6.828
283 HA VAL 41 HA VAL 41 6.276 25.188 -4.728
284 HB VAL 41 HB VAL 41 4.340 26.543 -5.482
285 HG11 VAL 41 1HG1 VAL 41 4.937 28.512 -4.247
286 HG12 VAL 41 2HG1 VAL 41 6.494 28.078 -4.304
287 HG13 VAL 41 3HG1 VAL 41 5.437 27.189 -3.464
288 HG21 VAL 41 1HG2 VAL 41 4.768 28.548 -6.757
289 HG22 VAL 41 2HG2 VAL 41 5.171 27.248 -7.629
290 HG23 VAL 41 3HG2 VAL 41 6.322 28.127 -6.909
291 H PHE 42 H PHE 42 4.424 23.832 -5.592
292 HA PHE 42 HA PHE 42 5.112 22.784 -8.132
293 HB2 PHE 42 1HB PHE 42 4.327 21.252 -6.531
294 HB3 PHE 42 2HB PHE 42 2.914 22.062 -6.405
295 HD1 PHE 42 HD1 PHE 42 4.825 20.589 -9.158
296 HD2 PHE 42 HD2 PHE 42 1.087 20.971 -7.373
297 HE1 PHE 42 HE1 PHE 42 3.858 19.229 -10.898
298 HE2 PHE 42 HE2 PHE 42 0.119 19.582 -9.099
299 HZ PHE 42 HZ PHE 42 1.506 18.709 -10.864
300 H SER 43 H SER 43 4.260 23.330 -10.118
301 HA SER 43 HA SER 43 1.900 24.985 -10.074
302 HB2 SER 43 1HB SER 43 3.776 26.194 -10.932
303 HB3 SER 43 2HB SER 43 3.991 25.055 -12.082
304 HG SER 43 HG SER 43 2.799 26.307 -13.224
305 H ASN 44 H ASN 44 0.136 23.854 -10.591
306 HA ASN 44 HA ASN 44 0.312 21.467 -11.926
307 HB2 ASN 44 1HB ASN 44 -1.742 22.995 -10.807
308 HB3 ASN 44 2HB ASN 44 -2.282 22.296 -12.181
309 HD21 ASN 44 1HD2 ASN 44 -2.462 20.234 -8.924
310 HD22 ASN 44 2HD2 ASN 44 -2.430 21.960 -9.068
311 H SER 45 H SER 45 0.018 24.593 -13.218
312 HA SER 45 HA SER 45 -1.284 23.917 -15.552
313 HB2 SER 45 1HB SER 45 -0.434 26.132 -16.334
314 HB3 SER 45 2HB SER 45 -1.213 26.205 -14.900
315 HG SER 45 HG SER 45 1.396 25.677 -14.660
316 H CYS 46 H CYS 46 2.108 24.050 -14.850
317 HA CYS 46 HA CYS 46 2.669 23.142 -17.532
318 HB2 CYS 46 1HB CYS 46 4.754 23.866 -17.351
319 HB3 CYS 46 2HB CYS 46 3.844 25.025 -16.646
320 H LYS 47 H LYS 47 2.125 22.044 -14.555
321 HA LYS 47 HA LYS 47 2.436 20.149 -13.501
322 HB2 LYS 47 1HB LYS 47 2.072 19.324 -15.993
323 HB3 LYS 47 2HB LYS 47 3.425 18.513 -15.571
324 HG2 LYS 47 1HG LYS 47 1.708 17.113 -15.125
325 HG3 LYS 47 2HG LYS 47 2.199 17.675 -13.673
326 HD2 LYS 47 1HD LYS 47 0.410 19.224 -13.654
327 HD3 LYS 47 2HD LYS 47 -0.072 18.697 -15.123
328 HE2 LYS 47 1HE LYS 47 -0.559 16.572 -14.205
329 HE3 LYS 47 2HE LYS 47 -0.063 17.088 -12.737
330 HZ1 LYS 47 1HZ LYS 47 -2.417 17.186 -12.886
331 HZ2 LYS 47 2HZ LYS 47 -2.305 18.165 -14.167
332 HZ3 LYS 47 3HZ LYS 47 -1.814 18.676 -12.714
333 H CYS 48 H CYS 48 4.530 21.974 -13.517
334 HA CYS 48 HA CYS 48 6.719 20.203 -12.944
335 HB2 CYS 48 1HB CYS 48 7.543 22.813 -13.314
336 HB3 CYS 48 2HB CYS 48 8.134 21.460 -14.013
337 H CYS 49 H CYS 49 8.222 20.877 -11.166
338 HA CYS 49 HA CYS 49 7.007 22.586 -9.217
339 HB2 CYS 49 1HB CYS 49 8.296 20.748 -8.579
340 HB3 CYS 49 2HB CYS 49 9.612 21.511 -9.172
341 H THR 50 H THR 50 7.336 24.853 -9.310
342 HA THR 50 HA THR 50 9.282 25.700 -11.215
343 HB THR 50 HB THR 50 7.678 27.585 -11.758
344 HG1 THR 50 HG1 THR 50 5.487 27.034 -11.017
345 HG21 THR 50 1HG2 THR 50 6.161 26.260 -13.033
346 HG22 THR 50 2HG2 THR 50 6.569 24.944 -12.188
347 HG23 THR 50 3HG2 THR 50 7.644 25.633 -13.181
348 H TRP 51 H TRP 51 10.019 27.955 -11.150
349 HA TRP 51 HA TRP 51 10.937 28.615 -8.624
350 HB2 TRP 51 1HB TRP 51 11.814 29.201 -10.929
351 HB3 TRP 51 2HB TRP 51 10.848 30.510 -10.792
352 HD1 TRP 51 HD1 TRP 51 13.249 29.127 -8.254
353 HE1 TRP 51 HE1 TRP 51 14.912 30.848 -7.504
354 HE3 TRP 51 HE3 TRP 51 11.672 32.847 -11.201
355 HZ2 TRP 51 HZ2 TRP 51 15.470 33.503 -8.243
356 HZ3 TRP 51 HZ3 TRP 51 12.820 34.979 -11.104
357 HH2 TRP 51 HH2 TRP 51 14.714 35.285 -9.646
358 H ASN 52 H ASN 52 10.326 30.053 -7.035
359 HA ASN 52 HA ASN 52 7.652 30.901 -7.266
360 HB2 ASN 52 1HB ASN 52 8.659 29.940 -5.198
361 HB3 ASN 52 2HB ASN 52 9.351 31.401 -4.962
362 HD21 ASN 52 1HD2 ASN 52 6.692 32.587 -3.160
363 HD22 ASN 52 2HD2 ASN 52 8.398 32.603 -3.463
364 H GLY 53 H GLY 53 9.538 32.316 -8.940
365 HA2 GLY 53 1HA GLY 53 9.823 34.446 -9.591
366 HA3 GLY 53 2HA GLY 53 8.435 34.797 -8.804
367 H LEU 54 H LEU 54 11.579 33.939 -7.528
368 HA LEU 54 HA LEU 54 11.491 35.871 -5.569
369 HB2 LEU 54 1HB LEU 54 12.914 33.970 -5.431
370 HB3 LEU 54 2HB LEU 54 13.854 34.595 -6.611
371 HG LEU 54 HG LEU 54 13.616 36.312 -4.410
372 HD11 LEU 54 1HD1 LEU 54 14.982 35.035 -2.928
373 HD12 LEU 54 2HD1 LEU 54 14.928 33.781 -3.948
374 HD13 LEU 54 3HD1 LEU 54 13.584 34.266 -3.192
375 HD21 LEU 54 1HD2 LEU 54 15.972 36.515 -4.704
376 HD22 LEU 54 2HD2 LEU 54 15.220 36.697 -6.124
377 HD23 LEU 54 3HD2 LEU 54 15.952 35.299 -5.770
378 H VAL 55 H VAL 55 11.837 38.063 -5.580
379 HA VAL 55 HA VAL 55 12.728 39.238 -8.005
380 HB VAL 55 HB VAL 55 11.990 40.581 -5.538
381 HG11 VAL 55 1HG1 VAL 55 11.792 42.590 -6.847
382 HG12 VAL 55 2HG1 VAL 55 12.315 41.794 -8.154
383 HG13 VAL 55 3HG1 VAL 55 13.312 42.039 -6.904
384 HG21 VAL 55 1HG2 VAL 55 9.850 40.994 -6.610
385 HG22 VAL 55 2HG2 VAL 55 10.102 39.401 -6.488
386 HG23 VAL 55 3HG2 VAL 55 10.334 40.151 -7.902
387 HA PRO 56 HA PRO 56 16.799 39.138 -6.329
388 HB2 PRO 56 1HB PRO 56 18.250 39.876 -8.444
389 HB3 PRO 56 2HB PRO 56 17.510 38.421 -8.492
390 HG2 PRO 56 1HG PRO 56 16.579 40.882 -9.575
391 HG3 PRO 56 2HG PRO 56 16.682 39.435 -10.325
392 HD2 PRO 56 1HD PRO 56 14.416 40.209 -9.306
393 HD3 PRO 56 2HD PRO 56 14.825 38.628 -9.270
394 H ARG 57 H ARG 57 15.205 41.807 -7.087
395 HA ARG 57 HA ARG 57 15.392 43.920 -6.497
396 HB2 ARG 57 1HB ARG 57 17.552 43.289 -4.684
397 HB3 ARG 57 2HB ARG 57 16.596 44.611 -4.596
398 HG2 ARG 57 1HG ARG 57 15.665 41.927 -4.137
399 HG3 ARG 57 2HG ARG 57 16.018 42.991 -2.948
400 HD2 ARG 57 1HD ARG 57 14.260 44.398 -3.652
401 HD3 ARG 57 2HD ARG 57 13.934 43.394 -4.899
402 HE ARG 57 HE ARG 57 13.755 41.940 -2.552
403 HH11 ARG 57 1HH1 ARG 57 11.959 44.434 -4.270
404 HH12 ARG 57 2HH1 ARG 57 10.454 43.960 -3.558
405 HH21 ARG 57 1HH2 ARG 57 11.795 41.390 -1.689
406 HH22 ARG 57 2HH2 ARG 57 10.364 42.266 -2.120
Start of MODEL 7
1 H1 GLY 1 1H GLY 1 0.677 -8.619 -2.889
2 H2 GLY 1 2H GLY 1 1.626 -7.475 -2.254
3 H3 GLY 1 3H GLY 1 2.056 -8.211 -3.627
4 HA2 GLY 1 1HA GLY 1 0.212 -7.227 -4.742
5 HA3 GLY 1 2HA GLY 1 -0.222 -6.483 -3.355
6 H SER 2 H SER 2 -0.001 -4.737 -5.291
7 HA SER 2 HA SER 2 2.426 -3.325 -4.680
8 HB2 SER 2 1HB SER 2 3.100 -4.543 -6.626
9 HB3 SER 2 2HB SER 2 1.780 -4.020 -7.432
10 HG SER 2 HG SER 2 4.061 -2.929 -7.424
11 HA PRO 3 HA PRO 3 -0.637 -0.245 -5.086
12 HB2 PRO 3 1HB PRO 3 0.709 2.041 -5.291
13 HB3 PRO 3 2HB PRO 3 0.689 1.266 -3.854
14 HG2 PRO 3 1HG PRO 3 2.713 1.151 -5.868
15 HG3 PRO 3 2HG PRO 3 2.914 1.402 -4.267
16 HD2 PRO 3 1HD PRO 3 3.268 -0.976 -5.247
17 HD3 PRO 3 2HD PRO 3 2.602 -0.807 -3.765
18 H THR 4 H THR 4 -1.897 0.764 -6.545
19 HA THR 4 HA THR 4 -0.927 0.484 -9.230
20 HB THR 4 HB THR 4 -3.384 0.508 -9.798
21 HG1 THR 4 HG1 THR 4 -4.805 0.761 -8.275
22 HG21 THR 4 1HG2 THR 4 -3.810 -1.723 -8.995
23 HG22 THR 4 2HG2 THR 4 -2.601 -1.588 -7.929
24 HG23 THR 4 3HG2 THR 4 -2.280 -1.652 -9.512
25 H PHE 5 H PHE 5 -0.936 2.790 -7.152
26 HA PHE 5 HA PHE 5 -2.543 4.750 -8.059
27 HB2 PHE 5 1HB PHE 5 -1.289 4.864 -5.984
28 HB3 PHE 5 2HB PHE 5 0.091 5.072 -6.832
29 HD1 PHE 5 HD1 PHE 5 0.760 7.236 -7.624
30 HD2 PHE 5 HD2 PHE 5 -2.941 6.730 -5.805
31 HE1 PHE 5 HE1 PHE 5 0.539 9.630 -7.439
32 HE2 PHE 5 HE2 PHE 5 -3.191 9.128 -5.650
33 HZ PHE 5 HZ PHE 5 -1.432 10.574 -6.441
34 H CYS 6 H CYS 6 0.552 4.039 -9.402
35 HA CYS 6 HA CYS 6 0.299 6.332 -11.138
36 HB2 CYS 6 1HB CYS 6 2.297 6.107 -9.877
37 HB3 CYS 6 2HB CYS 6 2.595 4.693 -10.637
38 H GLN 7 H GLN 7 -0.328 3.112 -11.184
39 HA GLN 7 HA GLN 7 0.503 2.485 -13.767
40 HB2 GLN 7 1HB GLN 7 -1.381 1.290 -11.986
41 HB3 GLN 7 2HB GLN 7 -1.068 0.647 -13.454
42 HG2 GLN 7 1HG GLN 7 1.218 0.352 -12.803
43 HG3 GLN 7 2HG GLN 7 0.845 0.916 -11.316
44 HE21 GLN 7 1HE2 GLN 7 0.364 -2.295 -10.174
45 HE22 GLN 7 2HE2 GLN 7 1.138 -0.761 -9.958
46 H GLY 8 H GLY 8 -0.374 2.986 -15.729
47 HA2 GLY 8 1HA GLY 8 -2.082 3.529 -17.146
48 HA3 GLY 8 2HA GLY 8 -3.150 3.538 -15.911
49 H LYS 9 H LYS 9 -0.619 5.433 -15.031
50 HA LYS 9 HA LYS 9 -1.998 7.816 -15.889
51 HB2 LYS 9 1HB LYS 9 -0.376 7.322 -13.591
52 HB3 LYS 9 2HB LYS 9 -0.620 8.858 -14.089
53 HG2 LYS 9 1HG LYS 9 -2.985 8.471 -13.891
54 HG3 LYS 9 2HG LYS 9 -2.642 7.024 -13.216
55 HD2 LYS 9 1HD LYS 9 -1.326 8.185 -11.609
56 HD3 LYS 9 2HD LYS 9 -1.919 9.579 -12.218
57 HE2 LYS 9 1HE LYS 9 -4.060 9.072 -11.524
58 HE3 LYS 9 2HE LYS 9 -3.650 7.526 -11.194
59 HZ1 LYS 9 1HZ LYS 9 -3.825 8.773 -9.179
60 HZ2 LYS 9 2HZ LYS 9 -2.705 9.809 -9.713
61 HZ3 LYS 9 3HZ LYS 9 -2.299 8.279 -9.386
62 H ALA 10 H ALA 10 -0.964 9.531 -16.917
63 HA ALA 10 HA ALA 10 1.368 8.871 -18.313
64 HB1 ALA 10 1HB ALA 10 -0.197 10.420 -19.265
65 HB2 ALA 10 2HB ALA 10 1.243 11.147 -19.150
66 HB3 ALA 10 3HB ALA 10 0.085 11.471 -18.068
67 H ASP 11 H ASP 11 3.491 9.814 -18.133
68 HA ASP 11 HA ASP 11 4.351 10.185 -15.527
69 HB2 ASP 11 1HB ASP 11 5.649 10.560 -18.058
70 HB3 ASP 11 2HB ASP 11 6.427 11.010 -16.694
71 H GLY 12 H GLY 12 5.476 12.134 -14.624
72 HA2 GLY 12 1HA GLY 12 5.625 14.562 -14.946
73 HA3 GLY 12 2HA GLY 12 4.070 14.536 -15.444
74 H LEU 13 H LEU 13 4.150 16.279 -13.582
75 HA LEU 13 HA LEU 13 4.016 14.947 -11.081
76 HB2 LEU 13 1HB LEU 13 3.991 17.798 -11.607
77 HB3 LEU 13 2HB LEU 13 4.093 17.164 -10.105
78 HG LEU 13 HG LEU 13 6.173 17.230 -12.074
79 HD11 LEU 13 1HD1 LEU 13 7.320 18.498 -10.341
80 HD12 LEU 13 2HD1 LEU 13 6.038 18.324 -9.371
81 HD13 LEU 13 3HD1 LEU 13 5.922 19.223 -10.710
82 HD21 LEU 13 1HD2 LEU 13 7.577 16.038 -10.601
83 HD22 LEU 13 2HD2 LEU 13 6.330 15.120 -11.066
84 HD23 LEU 13 3HD2 LEU 13 6.332 15.797 -9.598
85 H TYR 14 H TYR 14 2.375 15.066 -9.537
86 HA TYR 14 HA TYR 14 -0.165 16.119 -10.463
87 HB2 TYR 14 1HB TYR 14 0.221 13.583 -9.143
88 HB3 TYR 14 2HB TYR 14 -1.249 14.251 -9.390
89 HD1 TYR 14 HD1 TYR 14 1.536 12.751 -11.052
90 HD2 TYR 14 HD2 TYR 14 -2.390 14.002 -11.513
91 HE1 TYR 14 HE1 TYR 14 1.442 11.626 -13.188
92 HE2 TYR 14 HE2 TYR 14 -2.505 12.848 -13.644
93 HH TYR 14 HH TYR 14 -0.666 10.576 -14.675
94 HA PRO 15 HA PRO 15 0.119 18.066 -6.580
95 HB2 PRO 15 1HB PRO 15 -2.401 18.558 -5.827
96 HB3 PRO 15 2HB PRO 15 -1.773 19.383 -7.089
97 HG2 PRO 15 1HG PRO 15 -3.388 17.030 -7.175
98 HG3 PRO 15 2HG PRO 15 -3.586 18.408 -8.030
99 HD2 PRO 15 1HD PRO 15 -2.408 16.396 -9.140
100 HD3 PRO 15 2HD PRO 15 -1.868 17.905 -9.454
101 H ASN 16 H ASN 16 0.369 17.841 -4.476
102 HA ASN 16 HA ASN 16 0.144 15.175 -3.616
103 HB2 ASN 16 1HB ASN 16 1.551 15.877 -1.833
104 HB3 ASN 16 2HB ASN 16 2.082 16.625 -3.184
105 HD21 ASN 16 1HD2 ASN 16 1.150 18.722 -0.082
106 HD22 ASN 16 2HD2 ASN 16 1.555 17.038 -0.119
107 HA PRO 17 HA PRO 17 -3.264 15.657 -1.217
108 HB2 PRO 17 1HB PRO 17 -3.291 13.557 0.475
109 HB3 PRO 17 2HB PRO 17 -3.176 13.220 -1.119
110 HG2 PRO 17 1HG PRO 17 -1.032 13.466 0.767
111 HG3 PRO 17 2HG PRO 17 -1.286 12.248 -0.291
112 HD2 PRO 17 1HD PRO 17 0.361 14.215 -0.854
113 HD3 PRO 17 2HD PRO 17 -0.457 13.436 -2.034
114 H ARG 18 H ARG 18 -0.607 16.024 0.875
115 HA ARG 18 HA ARG 18 -2.416 17.122 2.796
116 HB2 ARG 18 1HB ARG 18 -0.208 15.330 3.523
117 HB3 ARG 18 2HB ARG 18 -1.194 16.011 4.633
118 HG2 ARG 18 1HG ARG 18 -2.797 14.520 4.310
119 HG3 ARG 18 2HG ARG 18 -2.407 14.291 2.740
120 HD2 ARG 18 1HD ARG 18 -1.740 12.349 3.722
121 HD3 ARG 18 2HD ARG 18 -0.350 13.201 3.612
122 HE ARG 18 HE ARG 18 -1.476 13.748 6.076
123 HH11 ARG 18 1HH1 ARG 18 -0.770 12.797 7.931
124 HH12 ARG 18 2HH1 ARG 18 0.180 11.350 7.883
125 HH21 ARG 18 1HH2 ARG 18 0.163 11.084 4.449
126 HH22 ARG 18 2HH2 ARG 18 0.701 10.395 5.945
127 H GLU 19 H GLU 19 0.860 16.861 1.933
128 HA GLU 19 HA GLU 19 1.818 18.699 3.776
129 HB2 GLU 19 1HB GLU 19 3.215 17.947 1.368
130 HB3 GLU 19 2HB GLU 19 3.894 18.349 2.797
131 HG2 GLU 19 1HG GLU 19 4.203 16.153 2.949
132 HG3 GLU 19 2HG GLU 19 2.678 16.184 3.532
133 H ARG 20 H ARG 20 3.160 20.725 3.156
134 HA ARG 20 HA ARG 20 1.408 22.308 1.656
135 HB2 ARG 20 1HB ARG 20 2.634 23.185 3.579
136 HB3 ARG 20 2HB ARG 20 4.018 23.072 2.719
137 HG2 ARG 20 1HG ARG 20 3.265 25.343 2.800
138 HG3 ARG 20 2HG ARG 20 3.264 24.802 1.259
139 HD2 ARG 20 1HD ARG 20 0.959 24.516 1.288
140 HD3 ARG 20 2HD ARG 20 0.895 24.789 2.897
141 HE ARG 20 HE ARG 20 1.398 27.114 2.502
142 HH11 ARG 20 1HH1 ARG 20 0.269 25.239 -0.264
143 HH12 ARG 20 2HH1 ARG 20 -0.270 26.655 -1.104
144 HH21 ARG 20 1HH2 ARG 20 0.660 28.858 1.372
145 HH22 ARG 20 2HH2 ARG 20 -0.053 28.663 -0.195
146 H SER 21 H SER 21 4.468 20.934 0.995
147 HA SER 21 HA SER 21 4.435 22.203 -1.534
148 HB2 SER 21 1HB SER 21 6.954 21.892 -0.030
149 HB3 SER 21 2HB SER 21 6.725 22.954 -1.249
150 HG SER 21 HG SER 21 5.813 24.343 0.020
151 H SER 22 H SER 22 4.460 19.190 -0.544
152 HA SER 22 HA SER 22 6.514 18.270 -2.301
153 HB2 SER 22 1HB SER 22 5.800 16.053 -1.618
154 HB3 SER 22 2HB SER 22 6.123 17.000 -0.328
155 HG SER 22 HG SER 22 3.761 17.514 -0.600
156 H PHE 23 H PHE 23 5.820 16.319 -3.829
157 HA PHE 23 HA PHE 23 3.265 16.815 -4.989
158 HB2 PHE 23 1HB PHE 23 4.273 16.721 -7.246
159 HB3 PHE 23 2HB PHE 23 4.566 18.102 -6.424
160 HD1 PHE 23 HD1 PHE 23 6.710 18.908 -6.289
161 HD2 PHE 23 HD2 PHE 23 6.142 14.872 -7.072
162 HE1 PHE 23 HE1 PHE 23 9.083 18.648 -6.625
163 HE2 PHE 23 HE2 PHE 23 8.518 14.587 -7.374
164 HZ PHE 23 HZ PHE 23 9.995 16.481 -7.144
165 H TYR 24 H TYR 24 2.622 15.115 -6.590
166 HA TYR 24 HA TYR 24 3.779 12.546 -5.961
167 HB2 TYR 24 1HB TYR 24 1.421 13.269 -7.413
168 HB3 TYR 24 2HB TYR 24 2.043 11.765 -7.539
169 HD1 TYR 24 HD1 TYR 24 2.397 10.591 -5.137
170 HD2 TYR 24 HD2 TYR 24 -0.396 13.517 -6.034
171 HE1 TYR 24 HE1 TYR 24 1.010 9.822 -3.311
172 HE2 TYR 24 HE2 TYR 24 -1.773 12.778 -4.197
173 HH TYR 24 HH TYR 24 -2.196 10.707 -2.898
174 H SER 25 H SER 25 4.987 11.500 -7.705
175 HA SER 25 HA SER 25 5.074 12.918 -10.209
176 HB2 SER 25 1HB SER 25 7.093 13.516 -9.056
177 HB3 SER 25 2HB SER 25 7.455 11.935 -8.863
178 HG SER 25 HG SER 25 8.606 12.555 -10.561
179 H CYS 26 H CYS 26 4.902 11.614 -11.974
180 HA CYS 26 HA CYS 26 5.166 8.762 -11.514
181 HB2 CYS 26 1HB CYS 26 3.466 10.256 -13.147
182 HB3 CYS 26 2HB CYS 26 4.000 8.836 -13.754
183 H ALA 27 H ALA 27 6.892 7.774 -12.494
184 HA ALA 27 HA ALA 27 8.071 9.006 -14.809
185 HB1 ALA 27 1HB ALA 27 9.389 9.909 -13.034
186 HB2 ALA 27 2HB ALA 27 10.297 8.869 -13.875
187 HB3 ALA 27 3HB ALA 27 9.666 8.425 -12.454
188 H ALA 28 H ALA 28 8.170 7.430 -16.333
189 HA ALA 28 HA ALA 28 8.073 5.395 -17.191
190 HB1 ALA 28 1HB ALA 28 10.395 5.243 -16.513
191 HB2 ALA 28 2HB ALA 28 9.732 3.768 -16.491
192 HB3 ALA 28 3HB ALA 28 9.950 4.577 -15.108
193 H GLY 29 H GLY 29 5.986 6.036 -15.413
194 HA2 GLY 29 1HA GLY 29 4.180 4.925 -14.622
195 HA3 GLY 29 2HA GLY 29 4.856 3.497 -15.036
196 H ARG 30 H ARG 30 6.977 5.089 -13.107
197 HA ARG 30 HA ARG 30 6.177 3.538 -10.818
198 HB2 ARG 30 1HB ARG 30 8.710 4.886 -11.187
199 HB3 ARG 30 2HB ARG 30 8.382 3.796 -10.016
200 HG2 ARG 30 1HG ARG 30 8.645 3.198 -12.814
201 HG3 ARG 30 2HG ARG 30 9.728 2.806 -11.656
202 HD2 ARG 30 1HD ARG 30 8.069 1.348 -10.664
203 HD3 ARG 30 2HD ARG 30 7.079 1.673 -11.922
204 HE ARG 30 HE ARG 30 8.313 0.348 -13.331
205 HH11 ARG 30 1HH1 ARG 30 9.721 -1.311 -13.693
206 HH12 ARG 30 2HH1 ARG 30 10.834 -1.812 -12.465
207 HH21 ARG 30 1HH2 ARG 30 9.817 0.518 -10.144
208 HH22 ARG 30 2HH2 ARG 30 10.889 -0.798 -10.492
209 H LEU 31 H LEU 31 5.819 4.458 -8.767
210 HA LEU 31 HA LEU 31 5.211 7.221 -8.918
211 HB2 LEU 31 1HB LEU 31 3.594 5.787 -7.891
212 HB3 LEU 31 2HB LEU 31 4.701 5.301 -6.793
213 HG LEU 31 HG LEU 31 4.658 7.475 -5.808
214 HD11 LEU 31 1HD1 LEU 31 3.031 9.088 -6.477
215 HD12 LEU 31 2HD1 LEU 31 2.574 8.133 -7.699
216 HD13 LEU 31 3HD1 LEU 31 4.051 8.790 -7.695
217 HD21 LEU 31 1HD2 LEU 31 2.492 7.269 -4.796
218 HD22 LEU 31 2HD2 LEU 31 3.194 5.816 -4.909
219 HD23 LEU 31 3HD2 LEU 31 2.043 6.242 -5.962
220 H PHE 32 H PHE 32 6.418 8.849 -8.177
221 HA PHE 32 HA PHE 32 8.196 8.290 -5.958
222 HB2 PHE 32 1HB PHE 32 8.590 10.169 -8.094
223 HB3 PHE 32 2HB PHE 32 9.474 10.218 -6.722
224 HD1 PHE 32 HD1 PHE 32 8.714 8.100 -9.539
225 HD2 PHE 32 HD2 PHE 32 11.426 8.897 -6.489
226 HE1 PHE 32 HE1 PHE 32 10.250 6.522 -10.515
227 HE2 PHE 32 HE2 PHE 32 12.985 7.317 -7.453
228 HZ PHE 32 HZ PHE 32 12.394 6.129 -9.476
229 H GLN 33 H GLN 33 7.717 9.449 -4.071
230 HA GLN 33 HA GLN 33 5.890 11.722 -4.332
231 HB2 GLN 33 1HB GLN 33 6.150 9.895 -2.151
232 HB3 GLN 33 2HB GLN 33 5.293 11.283 -2.061
233 HG2 GLN 33 1HG GLN 33 3.646 10.495 -3.421
234 HG3 GLN 33 2HG GLN 33 4.616 9.360 -4.085
235 HE21 GLN 33 1HE2 GLN 33 4.185 6.974 -1.520
236 HE22 GLN 33 2HE2 GLN 33 5.368 7.579 -2.631
237 H GLN 34 H GLN 34 7.138 13.582 -4.299
238 HA GLN 34 HA GLN 34 9.310 13.687 -2.459
239 HB2 GLN 34 1HB GLN 34 9.698 13.988 -5.334
240 HB3 GLN 34 2HB GLN 34 10.854 14.409 -4.261
241 HG2 GLN 34 1HG GLN 34 10.963 12.093 -3.586
242 HG3 GLN 34 2HG GLN 34 9.957 11.740 -4.824
243 HE21 GLN 34 1HE2 GLN 34 12.410 12.496 -7.352
244 HE22 GLN 34 2HE2 GLN 34 10.756 12.868 -6.995
245 H SER 35 H SER 35 10.477 15.885 -2.519
246 HA SER 35 HA SER 35 8.637 18.001 -3.298
247 HB2 SER 35 1HB SER 35 9.847 19.366 -1.711
248 HB3 SER 35 2HB SER 35 9.113 18.100 -0.986
249 HG SER 35 HG SER 35 11.072 18.018 -0.175
250 H CYS 36 H CYS 36 9.833 19.973 -4.283
251 HA CYS 36 HA CYS 36 11.961 19.060 -5.989
252 HB2 CYS 36 1HB CYS 36 10.048 20.664 -6.417
253 HB3 CYS 36 2HB CYS 36 11.197 21.741 -5.984
254 HA PRO 37 HA PRO 37 14.643 20.423 -2.913
255 HB2 PRO 37 1HB PRO 37 17.086 20.281 -4.086
256 HB3 PRO 37 2HB PRO 37 16.322 18.912 -3.631
257 HG2 PRO 37 1HG PRO 37 16.343 20.113 -6.229
258 HG3 PRO 37 2HG PRO 37 16.600 18.545 -5.854
259 HD2 PRO 37 1HD PRO 37 14.263 19.267 -6.672
260 HD3 PRO 37 2HD PRO 37 14.374 18.152 -5.484
261 H THR 38 H THR 38 15.602 22.017 -5.864
262 HA THR 38 HA THR 38 16.052 24.339 -4.259
263 HB THR 38 HB THR 38 17.078 24.975 -6.629
264 HG1 THR 38 HG1 THR 38 17.335 22.222 -6.406
265 HG21 THR 38 1HG2 THR 38 19.229 24.274 -5.790
266 HG22 THR 38 2HG2 THR 38 18.508 23.344 -4.681
267 HG23 THR 38 3HG2 THR 38 18.401 24.954 -4.579
268 H GLY 39 H GLY 39 14.751 26.154 -4.322
269 HA2 GLY 39 1HA GLY 39 13.542 27.732 -5.397
270 HA3 GLY 39 2HA GLY 39 13.900 27.034 -6.830
271 H LEU 40 H LEU 40 12.237 25.275 -4.407
272 HA LEU 40 HA LEU 40 10.500 24.292 -6.199
273 HB2 LEU 40 1HB LEU 40 11.043 23.519 -3.897
274 HB3 LEU 40 2HB LEU 40 9.955 24.608 -3.353
275 HG LEU 40 HG LEU 40 9.204 22.263 -4.813
276 HD11 LEU 40 1HD1 LEU 40 8.634 21.398 -2.568
277 HD12 LEU 40 2HD1 LEU 40 9.197 22.766 -1.915
278 HD13 LEU 40 3HD1 LEU 40 10.214 21.733 -2.631
279 HD21 LEU 40 1HD2 LEU 40 7.016 22.574 -4.056
280 HD22 LEU 40 2HD2 LEU 40 7.493 23.818 -4.972
281 HD23 LEU 40 3HD2 LEU 40 7.442 23.972 -3.363
282 H VAL 41 H VAL 41 9.033 25.063 -7.459
283 HA VAL 41 HA VAL 41 6.657 25.922 -6.115
284 HB VAL 41 HB VAL 41 6.128 27.394 -8.124
285 HG11 VAL 41 1HG1 VAL 41 6.819 29.331 -6.890
286 HG12 VAL 41 2HG1 VAL 41 7.759 28.409 -5.951
287 HG13 VAL 41 3HG1 VAL 41 6.151 28.254 -5.884
288 HG21 VAL 41 1HG2 VAL 41 7.988 28.584 -8.947
289 HG22 VAL 41 2HG2 VAL 41 8.113 27.015 -9.318
290 HG23 VAL 41 3HG2 VAL 41 8.984 27.631 -8.103
291 H PHE 42 H PHE 42 4.748 25.176 -7.526
292 HA PHE 42 HA PHE 42 5.571 23.216 -9.511
293 HB2 PHE 42 1HB PHE 42 4.666 22.019 -7.732
294 HB3 PHE 42 2HB PHE 42 3.407 23.050 -7.605
295 HD1 PHE 42 HD1 PHE 42 4.679 21.257 -10.518
296 HD2 PHE 42 HD2 PHE 42 1.443 21.809 -7.962
297 HE1 PHE 42 HE1 PHE 42 3.321 19.871 -11.944
298 HE2 PHE 42 HE2 PHE 42 0.097 20.358 -9.348
299 HZ PHE 42 HZ PHE 42 1.040 19.402 -11.353
300 H SER 43 H SER 43 4.779 23.462 -11.554
301 HA SER 43 HA SER 43 2.580 25.312 -11.832
302 HB2 SER 43 1HB SER 43 4.496 26.218 -12.884
303 HB3 SER 43 2HB SER 43 4.696 24.851 -13.756
304 HG SER 43 HG SER 43 3.636 25.903 -15.180
305 H ASN 44 H ASN 44 0.712 24.298 -12.186
306 HA ASN 44 HA ASN 44 0.629 21.681 -12.964
307 HB2 ASN 44 1HB ASN 44 -1.508 23.660 -12.993
308 HB3 ASN 44 2HB ASN 44 -1.811 22.077 -13.256
309 HD21 ASN 44 1HD2 ASN 44 -2.344 21.421 -9.940
310 HD22 ASN 44 2HD2 ASN 44 -2.716 21.074 -11.595
311 H SER 45 H SER 45 0.596 24.523 -14.865
312 HA SER 45 HA SER 45 -0.520 23.398 -17.131
313 HB2 SER 45 1HB SER 45 0.392 25.419 -18.266
314 HB3 SER 45 2HB SER 45 -0.481 25.776 -16.933
315 HG SER 45 HG SER 45 1.235 26.322 -15.850
316 H CYS 46 H CYS 46 2.781 23.548 -16.094
317 HA CYS 46 HA CYS 46 3.621 22.310 -18.530
318 HB2 CYS 46 1HB CYS 46 5.786 22.590 -17.871
319 HB3 CYS 46 2HB CYS 46 4.984 23.987 -17.602
320 H LYS 47 H LYS 47 2.339 21.394 -15.718
321 HA LYS 47 HA LYS 47 2.243 19.476 -14.541
322 HB2 LYS 47 1HB LYS 47 1.958 18.696 -16.971
323 HB3 LYS 47 2HB LYS 47 3.364 17.919 -16.673
324 HG2 LYS 47 1HG LYS 47 1.697 16.410 -16.390
325 HG3 LYS 47 2HG LYS 47 2.266 16.764 -14.901
326 HD2 LYS 47 1HD LYS 47 0.408 17.953 -14.348
327 HD3 LYS 47 2HD LYS 47 -0.024 18.163 -15.909
328 HE2 LYS 47 1HE LYS 47 -1.404 16.551 -14.731
329 HE3 LYS 47 2HE LYS 47 -0.714 15.950 -16.084
330 HZ1 LYS 47 1HZ LYS 47 -0.481 14.415 -14.297
331 HZ2 LYS 47 2HZ LYS 47 0.292 15.535 -13.423
332 HZ3 LYS 47 3HZ LYS 47 0.976 14.939 -14.762
333 H CYS 48 H CYS 48 4.568 21.069 -14.276
334 HA CYS 48 HA CYS 48 6.519 19.143 -13.558
335 HB2 CYS 48 1HB CYS 48 8.149 19.954 -14.918
336 HB3 CYS 48 2HB CYS 48 6.818 19.904 -15.862
337 H CYS 49 H CYS 49 8.499 19.987 -12.458
338 HA CYS 49 HA CYS 49 7.796 21.942 -10.542
339 HB2 CYS 49 1HB CYS 49 9.141 20.194 -9.901
340 HB3 CYS 49 2HB CYS 49 10.246 20.582 -11.039
341 H THR 50 H THR 50 8.397 24.103 -10.511
342 HA THR 50 HA THR 50 10.058 25.031 -12.695
343 HB THR 50 HB THR 50 8.673 27.145 -12.468
344 HG1 THR 50 HG1 THR 50 6.434 26.143 -11.940
345 HG21 THR 50 1HG2 THR 50 7.059 26.319 -14.052
346 HG22 THR 50 2HG2 THR 50 7.426 24.796 -13.653
347 HG23 THR 50 3HG2 THR 50 8.508 25.710 -14.433
348 H TRP 51 H TRP 51 11.114 27.238 -12.135
349 HA TRP 51 HA TRP 51 12.033 27.037 -9.432
350 HB2 TRP 51 1HB TRP 51 13.331 27.628 -11.698
351 HB3 TRP 51 2HB TRP 51 13.293 29.045 -10.886
352 HD1 TRP 51 HD1 TRP 51 14.814 25.681 -10.666
353 HE1 TRP 51 HE1 TRP 51 16.682 25.565 -8.998
354 HE3 TRP 51 HE3 TRP 51 14.135 30.210 -8.663
355 HZ2 TRP 51 HZ2 TRP 51 17.716 27.334 -7.063
356 HZ3 TRP 51 HZ3 TRP 51 15.605 30.933 -6.883
357 HH2 TRP 51 HH2 TRP 51 17.380 29.498 -6.096
358 H ASN 52 H ASN 52 12.002 28.732 -7.904
359 HA ASN 52 HA ASN 52 9.714 30.313 -8.234
360 HB2 ASN 52 1HB ASN 52 10.302 29.206 -6.115
361 HB3 ASN 52 2HB ASN 52 11.497 30.305 -5.932
362 HD21 ASN 52 1HD2 ASN 52 8.959 31.622 -3.821
363 HD22 ASN 52 2HD2 ASN 52 10.205 30.420 -3.831
364 H GLY 53 H GLY 53 9.948 31.939 -9.683
365 HA2 GLY 53 1HA GLY 53 10.296 34.167 -9.972
366 HA3 GLY 53 2HA GLY 53 11.232 34.230 -8.635
367 H LEU 54 H LEU 54 12.393 31.835 -10.523
368 HA LEU 54 HA LEU 54 14.194 33.592 -11.930
369 HB2 LEU 54 1HB LEU 54 15.094 32.555 -9.820
370 HB3 LEU 54 2HB LEU 54 15.212 31.198 -10.721
371 HG LEU 54 HG LEU 54 16.467 33.152 -12.126
372 HD11 LEU 54 1HD1 LEU 54 18.139 33.910 -10.610
373 HD12 LEU 54 2HD1 LEU 54 17.386 33.162 -9.390
374 HD13 LEU 54 3HD1 LEU 54 16.683 34.419 -10.124
375 HD21 LEU 54 1HD2 LEU 54 18.361 31.729 -11.855
376 HD22 LEU 54 2HD2 LEU 54 17.049 30.847 -12.195
377 HD23 LEU 54 3HD2 LEU 54 17.597 30.928 -10.676
378 H VAL 55 H VAL 55 15.222 32.738 -13.849
379 HA VAL 55 HA VAL 55 13.793 30.471 -14.947
380 HB VAL 55 HB VAL 55 15.327 32.452 -16.402
381 HG11 VAL 55 1HG1 VAL 55 14.505 31.415 -18.406
382 HG12 VAL 55 2HG1 VAL 55 13.777 30.272 -17.524
383 HG13 VAL 55 3HG1 VAL 55 15.392 30.358 -17.562
384 HG21 VAL 55 1HG2 VAL 55 13.180 33.225 -17.216
385 HG22 VAL 55 2HG2 VAL 55 13.230 33.352 -15.605
386 HG23 VAL 55 3HG2 VAL 55 12.432 32.127 -16.295
387 HA PRO 56 HA PRO 56 17.787 28.712 -14.099
388 HB2 PRO 56 1HB PRO 56 17.140 26.217 -13.567
389 HB3 PRO 56 2HB PRO 56 16.529 27.347 -12.559
390 HG2 PRO 56 1HG PRO 56 15.243 26.108 -14.783
391 HG3 PRO 56 2HG PRO 56 14.642 26.337 -13.282
392 HD2 PRO 56 1HD PRO 56 14.115 28.020 -15.297
393 HD3 PRO 56 2HD PRO 56 14.045 28.491 -13.734
394 H ARG 57 H ARG 57 16.494 28.811 -16.821
395 HA ARG 57 HA ARG 57 17.792 26.581 -18.051
396 HB2 ARG 57 1HB ARG 57 15.930 28.537 -19.103
397 HB3 ARG 57 2HB ARG 57 16.661 27.461 -20.092
398 HG2 ARG 57 1HG ARG 57 14.946 26.678 -17.939
399 HG3 ARG 57 2HG ARG 57 14.429 26.847 -19.478
400 HD2 ARG 57 1HD ARG 57 16.114 25.190 -20.116
401 HD3 ARG 57 2HD ARG 57 16.344 24.913 -18.523
402 HE ARG 57 HE ARG 57 13.659 24.593 -18.992
403 HH11 ARG 57 1HH1 ARG 57 12.724 22.615 -19.272
404 HH12 ARG 57 2HH1 ARG 57 13.679 21.237 -19.706
405 HH21 ARG 57 1HH2 ARG 57 16.662 22.960 -19.813
406 HH22 ARG 57 2HH2 ARG 57 15.877 21.429 -20.008
Start of MODEL 8
1 H1 GLY 1 1H GLY 1 1.469 -5.079 -3.911
2 H2 GLY 1 2H GLY 1 1.130 -5.500 -5.435
3 H3 GLY 1 3H GLY 1 0.252 -4.361 -4.696
4 HA2 GLY 1 1HA GLY 1 2.136 -2.936 -4.636
5 HA3 GLY 1 2HA GLY 1 3.024 -4.087 -5.381
6 H SER 2 H SER 2 3.371 -2.103 -6.855
7 HA SER 2 HA SER 2 2.900 -1.070 -8.732
8 HB2 SER 2 1HB SER 2 3.025 -3.482 -9.512
9 HB3 SER 2 2HB SER 2 1.418 -3.351 -9.772
10 HG SER 2 HG SER 2 2.559 -2.939 -11.631
11 HA PRO 3 HA PRO 3 -1.361 0.099 -7.955
12 HB2 PRO 3 1HB PRO 3 -1.074 2.675 -7.345
13 HB3 PRO 3 2HB PRO 3 -0.804 1.565 -6.177
14 HG2 PRO 3 1HG PRO 3 1.125 2.835 -7.850
15 HG3 PRO 3 2HG PRO 3 1.160 2.684 -6.224
16 HD2 PRO 3 1HD PRO 3 2.494 1.008 -7.695
17 HD3 PRO 3 2HD PRO 3 1.772 0.480 -6.328
18 H THR 4 H THR 4 -2.885 1.099 -9.230
19 HA THR 4 HA THR 4 -1.956 1.561 -11.829
20 HB THR 4 HB THR 4 -4.417 1.978 -12.267
21 HG1 THR 4 HG1 THR 4 -5.791 1.858 -10.620
22 HG21 THR 4 1HG2 THR 4 -5.065 -0.292 -11.879
23 HG22 THR 4 2HG2 THR 4 -3.812 -0.498 -10.878
24 HG23 THR 4 3HG2 THR 4 -3.555 -0.282 -12.459
25 H PHE 5 H PHE 5 -1.799 3.492 -9.367
26 HA PHE 5 HA PHE 5 -2.921 5.867 -10.086
27 HB2 PHE 5 1HB PHE 5 -1.917 5.355 -7.921
28 HB3 PHE 5 2HB PHE 5 -0.438 5.430 -8.610
29 HD1 PHE 5 HD1 PHE 5 0.716 7.506 -8.865
30 HD2 PHE 5 HD2 PHE 5 -3.253 7.455 -7.615
31 HE1 PHE 5 HE1 PHE 5 0.928 9.793 -8.123
32 HE2 PHE 5 HE2 PHE 5 -3.082 9.776 -6.981
33 HZ PHE 5 HZ PHE 5 -0.986 10.940 -7.221
34 H CYS 6 H CYS 6 0.233 4.703 -10.943
35 HA CYS 6 HA CYS 6 0.578 7.021 -12.639
36 HB2 CYS 6 1HB CYS 6 2.236 6.934 -11.122
37 HB3 CYS 6 2HB CYS 6 2.429 5.325 -11.322
38 H GLN 7 H GLN 7 0.053 3.698 -12.758
39 HA GLN 7 HA GLN 7 1.211 3.180 -15.208
40 HB2 GLN 7 1HB GLN 7 -0.933 1.941 -13.782
41 HB3 GLN 7 2HB GLN 7 -0.403 1.332 -15.201
42 HG2 GLN 7 1HG GLN 7 1.744 0.999 -14.211
43 HG3 GLN 7 2HG GLN 7 1.136 1.511 -12.784
44 HE21 GLN 7 1HE2 GLN 7 -0.253 -1.483 -11.857
45 HE22 GLN 7 2HE2 GLN 7 0.122 0.156 -11.441
46 H GLY 8 H GLY 8 0.684 3.679 -17.266
47 HA2 GLY 8 1HA GLY 8 -0.721 4.220 -18.968
48 HA3 GLY 8 2HA GLY 8 -2.016 4.035 -17.991
49 H LYS 9 H LYS 9 0.397 6.150 -16.899
50 HA LYS 9 HA LYS 9 -1.222 8.436 -17.661
51 HB2 LYS 9 1HB LYS 9 0.073 7.914 -15.191
52 HB3 LYS 9 2HB LYS 9 -0.051 9.470 -15.671
53 HG2 LYS 9 1HG LYS 9 -1.885 9.167 -14.399
54 HG3 LYS 9 2HG LYS 9 -2.455 9.010 -15.922
55 HD2 LYS 9 1HD LYS 9 -2.423 6.694 -15.743
56 HD3 LYS 9 2HD LYS 9 -1.710 6.786 -14.277
57 HE2 LYS 9 1HE LYS 9 -3.649 7.653 -13.336
58 HE3 LYS 9 2HE LYS 9 -4.362 7.740 -14.803
59 HZ1 LYS 9 1HZ LYS 9 -5.049 5.749 -13.678
60 HZ2 LYS 9 2HZ LYS 9 -3.505 5.283 -13.556
61 HZ3 LYS 9 3HZ LYS 9 -4.211 5.369 -15.008
62 H ALA 10 H ALA 10 -0.004 10.460 -18.030
63 HA ALA 10 HA ALA 10 2.395 9.983 -19.442
64 HB1 ALA 10 1HB ALA 10 0.981 11.771 -20.146
65 HB2 ALA 10 2HB ALA 10 2.415 12.392 -19.732
66 HB3 ALA 10 3HB ALA 10 1.160 12.511 -18.720
67 H ASP 11 H ASP 11 4.553 10.416 -18.750
68 HA ASP 11 HA ASP 11 5.033 10.425 -16.024
69 HB2 ASP 11 1HB ASP 11 6.733 10.840 -18.277
70 HB3 ASP 11 2HB ASP 11 7.326 11.180 -16.793
71 H GLY 12 H GLY 12 5.683 12.152 -14.603
72 HA2 GLY 12 1HA GLY 12 6.181 14.672 -14.956
73 HA3 GLY 12 2HA GLY 12 4.621 14.683 -15.437
74 H LEU 13 H LEU 13 4.814 16.328 -13.500
75 HA LEU 13 HA LEU 13 4.529 14.918 -11.050
76 HB2 LEU 13 1HB LEU 13 4.658 17.775 -11.479
77 HB3 LEU 13 2HB LEU 13 4.666 17.081 -10.001
78 HG LEU 13 HG LEU 13 6.823 17.124 -11.880
79 HD11 LEU 13 1HD1 LEU 13 7.948 18.264 -10.034
80 HD12 LEU 13 2HD1 LEU 13 6.617 18.102 -9.131
81 HD13 LEU 13 3HD1 LEU 13 6.601 19.067 -10.428
82 HD21 LEU 13 1HD2 LEU 13 8.122 15.808 -10.415
83 HD22 LEU 13 2HD2 LEU 13 6.858 14.966 -10.969
84 HD23 LEU 13 3HD2 LEU 13 6.831 15.572 -9.470
85 H TYR 14 H TYR 14 2.781 15.040 -9.617
86 HA TYR 14 HA TYR 14 0.341 16.146 -10.713
87 HB2 TYR 14 1HB TYR 14 0.698 13.466 -9.686
88 HB3 TYR 14 2HB TYR 14 -0.784 14.115 -9.910
89 HD1 TYR 14 HD1 TYR 14 2.106 12.881 -11.606
90 HD2 TYR 14 HD2 TYR 14 -1.774 14.254 -12.137
91 HE1 TYR 14 HE1 TYR 14 2.173 12.150 -13.904
92 HE2 TYR 14 HE2 TYR 14 -1.719 13.508 -14.444
93 HH TYR 14 HH TYR 14 0.244 11.380 -15.686
94 HA PRO 15 HA PRO 15 -0.008 17.808 -6.820
95 HB2 PRO 15 1HB PRO 15 -2.654 18.113 -6.353
96 HB3 PRO 15 2HB PRO 15 -1.944 19.017 -7.513
97 HG2 PRO 15 1HG PRO 15 -3.344 16.551 -7.841
98 HG3 PRO 15 2HG PRO 15 -3.554 17.936 -8.680
99 HD2 PRO 15 1HD PRO 15 -2.088 16.071 -9.698
100 HD3 PRO 15 2HD PRO 15 -1.629 17.627 -9.889
101 H ASN 16 H ASN 16 0.215 17.551 -4.818
102 HA ASN 16 HA ASN 16 -0.167 14.943 -3.800
103 HB2 ASN 16 1HB ASN 16 1.237 15.723 -2.025
104 HB3 ASN 16 2HB ASN 16 1.872 16.231 -3.441
105 HD21 ASN 16 1HD2 ASN 16 1.196 18.818 -0.680
106 HD22 ASN 16 2HD2 ASN 16 1.457 17.116 -0.493
107 HA PRO 17 HA PRO 17 -3.621 15.728 -1.584
108 HB2 PRO 17 1HB PRO 17 -3.637 14.047 0.539
109 HB3 PRO 17 2HB PRO 17 -3.575 13.383 -0.951
110 HG2 PRO 17 1HG PRO 17 -1.380 14.005 0.762
111 HG3 PRO 17 2HG PRO 17 -1.705 12.574 0.044
112 HD2 PRO 17 1HD PRO 17 -0.028 14.199 -1.071
113 HD3 PRO 17 2HD PRO 17 -1.037 13.323 -2.010
114 H ARG 18 H ARG 18 -0.984 16.504 0.426
115 HA ARG 18 HA ARG 18 -2.697 18.256 1.845
116 HB2 ARG 18 1HB ARG 18 -2.795 16.266 3.223
117 HB3 ARG 18 2HB ARG 18 -1.170 16.111 3.155
118 HG2 ARG 18 1HG ARG 18 -0.948 18.001 4.594
119 HG3 ARG 18 2HG ARG 18 -2.575 18.103 4.690
120 HD2 ARG 18 1HD ARG 18 -2.706 16.081 5.816
121 HD3 ARG 18 2HD ARG 18 -1.128 15.765 5.535
122 HE ARG 18 HE ARG 18 -0.478 17.101 7.275
123 HH11 ARG 18 1HH1 ARG 18 -3.941 17.467 6.719
124 HH12 ARG 18 2HH1 ARG 18 -4.172 18.326 8.205
125 HH21 ARG 18 1HH2 ARG 18 -0.857 18.202 9.151
126 HH22 ARG 18 2HH2 ARG 18 -2.454 18.735 9.559
127 H GLU 19 H GLU 19 0.537 17.256 1.504
128 HA GLU 19 HA GLU 19 1.542 19.131 3.245
129 HB2 GLU 19 1HB GLU 19 3.105 17.835 1.181
130 HB3 GLU 19 2HB GLU 19 3.653 18.292 2.650
131 HG2 GLU 19 1HG GLU 19 3.482 16.118 3.086
132 HG3 GLU 19 2HG GLU 19 1.927 16.508 3.401
133 H ARG 20 H ARG 20 3.285 20.779 2.803
134 HA ARG 20 HA ARG 20 2.272 22.497 0.800
135 HB2 ARG 20 1HB ARG 20 2.976 23.333 2.976
136 HB3 ARG 20 2HB ARG 20 4.513 22.907 2.623
137 HG2 ARG 20 1HG ARG 20 4.211 25.255 2.425
138 HG3 ARG 20 2HG ARG 20 4.630 24.602 0.988
139 HD2 ARG 20 1HD ARG 20 2.465 24.758 0.194
140 HD3 ARG 20 2HD ARG 20 1.885 25.116 1.678
141 HE ARG 20 HE ARG 20 3.167 26.920 -0.133
142 HH11 ARG 20 1HH1 ARG 20 1.835 26.516 3.108
143 HH12 ARG 20 2HH1 ARG 20 1.732 28.226 3.365
144 HH21 ARG 20 1HH2 ARG 20 3.023 29.080 0.284
145 HH22 ARG 20 2HH2 ARG 20 2.394 29.651 1.793
146 H SER 21 H SER 21 5.029 20.549 1.142
147 HA SER 21 HA SER 21 6.211 21.783 -1.153
148 HB2 SER 21 1HB SER 21 7.625 21.893 0.832
149 HB3 SER 21 2HB SER 21 7.532 20.271 1.001
150 HG SER 21 HG SER 21 9.497 20.915 0.168
151 H SER 22 H SER 22 4.957 18.782 -0.251
152 HA SER 22 HA SER 22 6.617 17.399 -2.056
153 HB2 SER 22 1HB SER 22 5.468 15.403 -1.353
154 HB3 SER 22 2HB SER 22 5.763 16.305 -0.024
155 HG SER 22 HG SER 22 3.396 16.217 -1.424
156 H PHE 23 H PHE 23 5.856 15.903 -3.730
157 HA PHE 23 HA PHE 23 3.380 16.664 -4.957
158 HB2 PHE 23 1HB PHE 23 4.486 16.626 -7.147
159 HB3 PHE 23 2HB PHE 23 4.836 17.933 -6.232
160 HD1 PHE 23 HD1 PHE 23 7.020 18.537 -5.847
161 HD2 PHE 23 HD2 PHE 23 6.216 14.676 -7.118
162 HE1 PHE 23 HE1 PHE 23 9.385 18.123 -6.059
163 HE2 PHE 23 HE2 PHE 23 8.573 14.259 -7.378
164 HZ PHE 23 HZ PHE 23 10.164 15.986 -6.835
165 H TYR 24 H TYR 24 2.828 15.018 -6.727
166 HA TYR 24 HA TYR 24 3.877 12.408 -6.062
167 HB2 TYR 24 1HB TYR 24 1.575 13.194 -7.560
168 HB3 TYR 24 2HB TYR 24 2.187 11.689 -7.727
169 HD1 TYR 24 HD1 TYR 24 2.448 10.347 -5.471
170 HD2 TYR 24 HD2 TYR 24 -0.149 13.517 -6.058
171 HE1 TYR 24 HE1 TYR 24 1.067 9.552 -3.645
172 HE2 TYR 24 HE2 TYR 24 -1.533 12.733 -4.244
173 HH TYR 24 HH TYR 24 -2.022 10.471 -3.096
174 H SER 25 H SER 25 5.064 11.308 -7.758
175 HA SER 25 HA SER 25 5.389 12.780 -10.218
176 HB2 SER 25 1HB SER 25 7.385 13.157 -8.993
177 HB3 SER 25 2HB SER 25 7.567 11.551 -8.753
178 HG SER 25 HG SER 25 8.891 12.165 -10.382
179 H CYS 26 H CYS 26 5.113 11.589 -12.001
180 HA CYS 26 HA CYS 26 4.946 8.683 -11.742
181 HB2 CYS 26 1HB CYS 26 3.012 9.799 -12.387
182 HB3 CYS 26 2HB CYS 26 3.817 10.397 -13.677
183 H ALA 27 H ALA 27 6.812 7.712 -12.515
184 HA ALA 27 HA ALA 27 8.191 8.978 -14.686
185 HB1 ALA 27 1HB ALA 27 9.291 9.896 -12.737
186 HB2 ALA 27 2HB ALA 27 10.324 8.924 -13.512
187 HB3 ALA 27 3HB ALA 27 9.572 8.404 -12.179
188 H ALA 28 H ALA 28 8.665 7.517 -16.205
189 HA ALA 28 HA ALA 28 8.841 5.537 -17.154
190 HB1 ALA 28 1HB ALA 28 11.006 5.445 -16.058
191 HB2 ALA 28 2HB ALA 28 10.429 3.944 -16.229
192 HB3 ALA 28 3HB ALA 28 10.342 4.685 -14.795
193 H GLY 29 H GLY 29 6.456 6.000 -15.682
194 HA2 GLY 29 1HA GLY 29 4.595 4.771 -15.294
195 HA3 GLY 29 2HA GLY 29 5.394 3.402 -15.689
196 H ARG 30 H ARG 30 7.039 5.022 -13.320
197 HA ARG 30 HA ARG 30 5.916 3.317 -11.278
198 HB2 ARG 30 1HB ARG 30 8.604 4.393 -11.311
199 HB3 ARG 30 2HB ARG 30 8.044 3.303 -10.232
200 HG2 ARG 30 1HG ARG 30 8.545 2.781 -13.017
201 HG3 ARG 30 2HG ARG 30 9.442 2.222 -11.771
202 HD2 ARG 30 1HD ARG 30 7.613 0.866 -11.058
203 HD3 ARG 30 2HD ARG 30 6.709 1.430 -12.296
204 HE ARG 30 HE ARG 30 7.842 0.125 -13.813
205 HH11 ARG 30 1HH1 ARG 30 9.242 -0.190 -10.594
206 HH12 ARG 30 2HH1 ARG 30 10.157 -1.592 -11.039
207 HH21 ARG 30 1HH2 ARG 30 9.044 -1.667 -14.298
208 HH22 ARG 30 2HH2 ARG 30 10.045 -2.411 -13.097
209 H LEU 31 H LEU 31 5.677 4.097 -9.117
210 HA LEU 31 HA LEU 31 5.054 6.860 -9.138
211 HB2 LEU 31 1HB LEU 31 3.924 4.759 -7.955
212 HB3 LEU 31 2HB LEU 31 4.667 5.488 -6.697
213 HG LEU 31 HG LEU 31 2.630 6.676 -8.323
214 HD11 LEU 31 1HD1 LEU 31 1.278 6.506 -6.292
215 HD12 LEU 31 2HD1 LEU 31 2.517 5.787 -5.541
216 HD13 LEU 31 3HD1 LEU 31 1.762 5.036 -6.758
217 HD21 LEU 31 1HD2 LEU 31 2.608 8.527 -6.833
218 HD22 LEU 31 2HD2 LEU 31 4.038 8.408 -7.577
219 HD23 LEU 31 3HD2 LEU 31 3.880 7.912 -6.046
220 H PHE 32 H PHE 32 6.181 8.494 -8.241
221 HA PHE 32 HA PHE 32 8.020 7.825 -6.108
222 HB2 PHE 32 1HB PHE 32 8.473 9.661 -8.269
223 HB3 PHE 32 2HB PHE 32 9.316 9.787 -6.876
224 HD1 PHE 32 HD1 PHE 32 8.693 7.554 -9.638
225 HD2 PHE 32 HD2 PHE 32 11.235 8.471 -6.483
226 HE1 PHE 32 HE1 PHE 32 10.293 5.955 -10.475
227 HE2 PHE 32 HE2 PHE 32 12.841 6.858 -7.295
228 HZ PHE 32 HZ PHE 32 12.382 5.614 -9.308
229 H GLN 33 H GLN 33 7.717 9.096 -4.227
230 HA GLN 33 HA GLN 33 5.979 11.434 -4.489
231 HB2 GLN 33 1HB GLN 33 6.075 9.534 -2.367
232 HB3 GLN 33 2HB GLN 33 5.412 11.014 -2.172
233 HG2 GLN 33 1HG GLN 33 3.715 10.555 -3.657
234 HG3 GLN 33 2HG GLN 33 4.481 9.230 -4.228
235 HE21 GLN 33 1HE2 GLN 33 2.458 8.986 -0.744
236 HE22 GLN 33 2HE2 GLN 33 3.099 10.498 -1.294
237 H GLN 34 H GLN 34 7.263 13.242 -4.386
238 HA GLN 34 HA GLN 34 9.533 13.223 -2.602
239 HB2 GLN 34 1HB GLN 34 9.720 13.618 -5.447
240 HB3 GLN 34 2HB GLN 34 10.899 14.127 -4.438
241 HG2 GLN 34 1HG GLN 34 11.358 11.912 -3.806
242 HG3 GLN 34 2HG GLN 34 10.120 11.370 -4.724
243 HE21 GLN 34 1HE2 GLN 34 13.688 11.610 -6.291
244 HE22 GLN 34 2HE2 GLN 34 13.331 11.666 -4.597
245 H SER 35 H SER 35 10.666 15.577 -2.805
246 HA SER 35 HA SER 35 8.471 17.402 -2.842
247 HB2 SER 35 1HB SER 35 9.506 18.476 -0.820
248 HB3 SER 35 2HB SER 35 9.056 16.934 -0.524
249 HG SER 35 HG SER 35 11.094 17.222 0.235
250 H CYS 36 H CYS 36 8.740 19.641 -3.053
251 HA CYS 36 HA CYS 36 11.101 20.398 -4.552
252 HB2 CYS 36 1HB CYS 36 8.392 21.057 -4.784
253 HB3 CYS 36 2HB CYS 36 9.433 22.290 -5.034
254 HA PRO 37 HA PRO 37 11.266 22.601 -0.718
255 HB2 PRO 37 1HB PRO 37 13.903 22.658 -0.234
256 HB3 PRO 37 2HB PRO 37 13.117 21.234 -0.091
257 HG2 PRO 37 1HG PRO 37 14.625 22.184 -2.324
258 HG3 PRO 37 2HG PRO 37 14.673 20.700 -1.643
259 HD2 PRO 37 1HD PRO 37 13.256 21.176 -3.809
260 HD3 PRO 37 2HD PRO 37 12.829 20.009 -2.751
261 H THR 38 H THR 38 14.216 23.943 -1.904
262 HA THR 38 HA THR 38 13.216 26.400 -1.096
263 HB THR 38 HB THR 38 15.570 27.052 -2.079
264 HG1 THR 38 HG1 THR 38 16.090 24.403 -1.710
265 HG21 THR 38 1HG2 THR 38 16.634 26.264 -0.077
266 HG22 THR 38 2HG2 THR 38 15.389 25.274 0.214
267 HG23 THR 38 3HG2 THR 38 15.189 26.876 0.315
268 H GLY 39 H GLY 39 11.970 27.763 -2.157
269 HA2 GLY 39 1HA GLY 39 11.543 29.253 -3.787
270 HA3 GLY 39 2HA GLY 39 12.940 28.855 -4.534
271 H LEU 40 H LEU 40 11.215 26.110 -4.215
272 HA LEU 40 HA LEU 40 10.341 26.307 -6.945
273 HB2 LEU 40 1HB LEU 40 10.970 23.981 -5.350
274 HB3 LEU 40 2HB LEU 40 10.356 23.857 -6.858
275 HG LEU 40 HG LEU 40 12.920 25.034 -6.311
276 HD11 LEU 40 1HD1 LEU 40 13.866 22.951 -7.084
277 HD12 LEU 40 2HD1 LEU 40 12.380 22.327 -7.216
278 HD13 LEU 40 3HD1 LEU 40 12.976 22.696 -5.759
279 HD21 LEU 40 1HD2 LEU 40 13.313 24.827 -8.660
280 HD22 LEU 40 2HD2 LEU 40 12.028 25.771 -8.391
281 HD23 LEU 40 3HD2 LEU 40 11.821 24.239 -8.864
282 H VAL 41 H VAL 41 8.257 26.099 -7.563
283 HA VAL 41 HA VAL 41 6.411 25.197 -5.550
284 HB VAL 41 HB VAL 41 4.750 26.779 -6.447
285 HG11 VAL 41 1HG1 VAL 41 5.644 28.711 -5.290
286 HG12 VAL 41 2HG1 VAL 41 7.111 28.033 -5.291
287 HG13 VAL 41 3HG1 VAL 41 5.917 27.374 -4.423
288 HG21 VAL 41 1HG2 VAL 41 5.495 28.624 -7.801
289 HG22 VAL 41 2HG2 VAL 41 5.711 27.232 -8.595
290 HG23 VAL 41 3HG2 VAL 41 6.970 27.967 -7.895
291 H PHE 42 H PHE 42 4.656 23.847 -6.277
292 HA PHE 42 HA PHE 42 5.217 22.605 -8.752
293 HB2 PHE 42 1HB PHE 42 4.475 21.171 -7.077
294 HB3 PHE 42 2HB PHE 42 3.145 22.081 -6.811
295 HD1 PHE 42 HD1 PHE 42 4.531 20.594 -9.839
296 HD2 PHE 42 HD2 PHE 42 1.206 20.879 -7.360
297 HE1 PHE 42 HE1 PHE 42 3.259 19.283 -11.399
298 HE2 PHE 42 HE2 PHE 42 -0.059 19.528 -8.913
299 HZ PHE 42 HZ PHE 42 0.984 18.707 -10.920
300 H SER 43 H SER 43 4.271 22.948 -10.726
301 HA SER 43 HA SER 43 1.892 24.589 -10.745
302 HB2 SER 43 1HB SER 43 3.674 25.798 -11.729
303 HB3 SER 43 2HB SER 43 3.973 24.565 -12.756
304 HG SER 43 HG SER 43 2.750 25.626 -14.027
305 H ASN 44 H ASN 44 0.159 23.356 -11.083
306 HA ASN 44 HA ASN 44 0.370 20.834 -12.138
307 HB2 ASN 44 1HB ASN 44 -1.429 21.522 -10.668
308 HB3 ASN 44 2HB ASN 44 -2.053 22.427 -11.875
309 HD21 ASN 44 1HD2 ASN 44 -4.184 19.926 -12.827
310 HD22 ASN 44 2HD2 ASN 44 -3.928 21.608 -12.507
311 H SER 45 H SER 45 -0.142 23.791 -13.727
312 HA SER 45 HA SER 45 -1.347 22.774 -15.997
313 HB2 SER 45 1HB SER 45 -0.581 24.972 -16.988
314 HB3 SER 45 2HB SER 45 -1.519 25.102 -15.657
315 HG SER 45 HG SER 45 0.096 25.717 -14.474
316 H CYS 46 H CYS 46 1.968 23.012 -15.131
317 HA CYS 46 HA CYS 46 2.713 22.092 -17.743
318 HB2 CYS 46 1HB CYS 46 4.918 22.647 -17.212
319 HB3 CYS 46 2HB CYS 46 3.937 23.924 -16.934
320 H LYS 47 H LYS 47 1.902 20.836 -14.899
321 HA LYS 47 HA LYS 47 2.361 18.946 -13.773
322 HB2 LYS 47 1HB LYS 47 3.172 17.877 -16.331
323 HB3 LYS 47 2HB LYS 47 2.856 16.956 -15.020
324 HG2 LYS 47 1HG LYS 47 0.865 18.591 -16.300
325 HG3 LYS 47 2HG LYS 47 1.045 16.996 -16.604
326 HD2 LYS 47 1HD LYS 47 0.559 16.513 -14.330
327 HD3 LYS 47 2HD LYS 47 0.367 18.107 -14.035
328 HE2 LYS 47 1HE LYS 47 -1.481 18.148 -15.510
329 HE3 LYS 47 2HE LYS 47 -1.297 16.547 -15.772
330 HZ1 LYS 47 1HZ LYS 47 -2.944 16.916 -14.098
331 HZ2 LYS 47 2HZ LYS 47 -1.861 17.718 -13.204
332 HZ3 LYS 47 3HZ LYS 47 -1.679 16.132 -13.464
333 H CYS 48 H CYS 48 4.249 20.885 -13.537
334 HA CYS 48 HA CYS 48 6.664 19.430 -13.162
335 HB2 CYS 48 1HB CYS 48 7.953 20.657 -14.513
336 HB3 CYS 48 2HB CYS 48 6.612 20.368 -15.400
337 H CYS 49 H CYS 49 8.403 20.774 -12.042
338 HA CYS 49 HA CYS 49 7.111 22.542 -10.162
339 HB2 CYS 49 1HB CYS 49 9.121 20.767 -9.950
340 HB3 CYS 49 2HB CYS 49 9.711 22.244 -9.578
341 H THR 50 H THR 50 7.616 24.764 -10.107
342 HA THR 50 HA THR 50 9.540 25.591 -12.065
343 HB THR 50 HB THR 50 8.107 27.628 -12.408
344 HG1 THR 50 HG1 THR 50 5.848 26.993 -11.654
345 HG21 THR 50 1HG2 THR 50 6.446 26.539 -13.746
346 HG22 THR 50 2HG2 THR 50 6.749 25.132 -13.009
347 HG23 THR 50 3HG2 THR 50 7.862 25.793 -13.977
348 H TRP 51 H TRP 51 10.848 27.452 -11.616
349 HA TRP 51 HA TRP 51 11.237 27.997 -8.903
350 HB2 TRP 51 1HB TRP 51 13.018 28.205 -10.492
351 HB3 TRP 51 2HB TRP 51 12.236 29.450 -11.203
352 HD1 TRP 51 HD1 TRP 51 12.971 29.009 -7.564
353 HE1 TRP 51 HE1 TRP 51 14.166 30.993 -6.597
354 HE3 TRP 51 HE3 TRP 51 13.500 31.545 -11.834
355 HZ2 TRP 51 HZ2 TRP 51 15.197 33.394 -7.670
356 HZ3 TRP 51 HZ3 TRP 51 14.612 33.696 -11.795
357 HH2 TRP 51 HH2 TRP 51 15.444 34.608 -9.715
358 H ASN 52 H ASN 52 10.352 29.603 -7.608
359 HA ASN 52 HA ASN 52 8.321 31.181 -8.785
360 HB2 ASN 52 1HB ASN 52 8.016 30.218 -6.593
361 HB3 ASN 52 2HB ASN 52 9.166 31.226 -6.019
362 HD21 ASN 52 1HD2 ASN 52 6.476 33.184 -4.990
363 HD22 ASN 52 2HD2 ASN 52 7.691 32.061 -4.477
364 H GLY 53 H GLY 53 9.982 32.221 -10.224
365 HA2 GLY 53 1HA GLY 53 10.972 34.632 -8.974
366 HA3 GLY 53 2HA GLY 53 11.961 33.746 -9.926
367 H LEU 54 H LEU 54 8.670 34.892 -10.123
368 HA LEU 54 HA LEU 54 8.667 35.140 -12.862
369 HB2 LEU 54 1HB LEU 54 6.687 35.049 -11.450
370 HB3 LEU 54 2HB LEU 54 6.966 36.602 -11.027
371 HG LEU 54 HG LEU 54 6.685 36.208 -13.797
372 HD11 LEU 54 1HD1 LEU 54 4.295 35.948 -13.704
373 HD12 LEU 54 2HD1 LEU 54 4.371 35.827 -12.094
374 HD13 LEU 54 3HD1 LEU 54 5.018 34.672 -13.022
375 HD21 LEU 54 1HD2 LEU 54 5.393 38.209 -13.679
376 HD22 LEU 54 2HD2 LEU 54 6.812 38.418 -12.931
377 HD23 LEU 54 3HD2 LEU 54 5.469 38.173 -12.064
378 H VAL 55 H VAL 55 9.336 36.620 -14.328
379 HA VAL 55 HA VAL 55 10.071 39.229 -13.298
380 HB VAL 55 HB VAL 55 11.380 37.940 -15.540
381 HG11 VAL 55 1HG1 VAL 55 12.961 39.754 -15.440
382 HG12 VAL 55 2HG1 VAL 55 12.114 40.432 -14.241
383 HG13 VAL 55 3HG1 VAL 55 11.478 40.331 -15.724
384 HG21 VAL 55 1HG2 VAL 55 13.294 37.678 -14.079
385 HG22 VAL 55 2HG2 VAL 55 12.031 36.867 -13.478
386 HG23 VAL 55 3HG2 VAL 55 12.444 38.300 -12.852
387 HA PRO 56 HA PRO 56 6.952 40.174 -16.250
388 HB2 PRO 56 1HB PRO 56 6.306 42.645 -15.544
389 HB3 PRO 56 2HB PRO 56 6.104 41.490 -14.407
390 HG2 PRO 56 1HG PRO 56 8.320 43.253 -14.732
391 HG3 PRO 56 2HG PRO 56 7.500 42.922 -13.359
392 HD2 PRO 56 1HD PRO 56 9.770 41.684 -13.963
393 HD3 PRO 56 2HD PRO 56 8.637 40.985 -13.017
394 H ARG 57 H ARG 57 9.883 40.927 -16.813
395 HA ARG 57 HA ARG 57 9.292 42.329 -19.239
396 HB2 ARG 57 1HB ARG 57 10.874 44.035 -18.902
397 HB3 ARG 57 2HB ARG 57 9.802 44.078 -17.671
398 HG2 ARG 57 1HG ARG 57 11.639 44.252 -16.446
399 HG3 ARG 57 2HG ARG 57 11.636 42.623 -16.565
400 HD2 ARG 57 1HD ARG 57 13.047 42.918 -18.568
401 HD3 ARG 57 2HD ARG 57 13.245 44.462 -18.077
402 HE ARG 57 HE ARG 57 14.154 43.454 -15.954
403 HH11 ARG 57 1HH1 ARG 57 14.534 41.953 -19.121
404 HH12 ARG 57 2HH1 ARG 57 15.998 41.152 -18.656
405 HH21 ARG 57 1HH2 ARG 57 16.037 42.419 -15.454
406 HH22 ARG 57 2HH2 ARG 57 16.832 41.412 -16.617
Start of MODEL 9
1 H1 GLY 1 1H GLY 1 5.993 -6.831 -5.334
2 H2 GLY 1 2H GLY 1 6.091 -5.410 -4.569
3 H3 GLY 1 3H GLY 1 7.074 -5.727 -5.813
4 HA2 GLY 1 1HA GLY 1 5.221 -5.745 -7.283
5 HA3 GLY 1 2HA GLY 1 4.228 -5.424 -6.027
6 H SER 2 H SER 2 3.598 -3.604 -7.544
7 HA SER 2 HA SER 2 5.222 -1.297 -6.873
8 HB2 SER 2 1HB SER 2 4.122 -1.754 -9.532
9 HB3 SER 2 2HB SER 2 4.927 -0.403 -9.092
10 HG SER 2 HG SER 2 5.971 -2.945 -9.282
11 HA PRO 3 HA PRO 3 1.212 0.078 -5.880
12 HB2 PRO 3 1HB PRO 3 1.293 2.728 -5.949
13 HB3 PRO 3 2HB PRO 3 2.103 1.947 -4.765
14 HG2 PRO 3 1HG PRO 3 3.149 2.950 -7.227
15 HG3 PRO 3 2HG PRO 3 3.768 3.141 -5.728
16 HD2 PRO 3 1HD PRO 3 4.715 1.298 -7.308
17 HD3 PRO 3 2HD PRO 3 4.646 1.037 -5.697
18 H THR 4 H THR 4 -0.776 0.367 -6.757
19 HA THR 4 HA THR 4 -0.809 0.416 -9.557
20 HB THR 4 HB THR 4 -3.308 0.416 -9.193
21 HG1 THR 4 HG1 THR 4 -4.045 0.616 -7.251
22 HG21 THR 4 1HG2 THR 4 -3.320 -1.853 -8.379
23 HG22 THR 4 2HG2 THR 4 -1.802 -1.688 -7.847
24 HG23 THR 4 3HG2 THR 4 -2.106 -1.697 -9.435
25 H PHE 5 H PHE 5 -0.759 2.751 -7.264
26 HA PHE 5 HA PHE 5 -2.327 4.739 -8.228
27 HB2 PHE 5 1HB PHE 5 -1.197 4.811 -6.095
28 HB3 PHE 5 2HB PHE 5 0.243 4.940 -6.855
29 HD1 PHE 5 HD1 PHE 5 1.063 7.051 -7.643
30 HD2 PHE 5 HD2 PHE 5 -2.724 6.760 -5.954
31 HE1 PHE 5 HE1 PHE 5 1.007 9.449 -7.399
32 HE2 PHE 5 HE2 PHE 5 -2.810 9.171 -5.743
33 HZ PHE 5 HZ PHE 5 -0.927 10.509 -6.446
34 H CYS 6 H CYS 6 0.713 3.791 -9.487
35 HA CYS 6 HA CYS 6 0.651 6.048 -11.272
36 HB2 CYS 6 1HB CYS 6 2.563 5.896 -9.881
37 HB3 CYS 6 2HB CYS 6 2.902 4.436 -10.530
38 H GLN 7 H GLN 7 0.120 2.800 -11.229
39 HA GLN 7 HA GLN 7 1.145 2.140 -13.751
40 HB2 GLN 7 1HB GLN 7 -0.699 0.874 -11.975
41 HB3 GLN 7 2HB GLN 7 -0.336 0.208 -13.422
42 HG2 GLN 7 1HG GLN 7 1.942 0.030 -12.777
43 HG3 GLN 7 2HG GLN 7 1.595 0.720 -11.338
44 HE21 GLN 7 1HE2 GLN 7 0.998 -2.254 -9.759
45 HE22 GLN 7 2HE2 GLN 7 1.466 -0.590 -9.656
46 H GLY 8 H GLY 8 0.392 2.534 -15.750
47 HA2 GLY 8 1HA GLY 8 -1.271 2.859 -17.294
48 HA3 GLY 8 2HA GLY 8 -2.404 2.913 -16.118
49 H LYS 9 H LYS 9 -0.050 4.934 -15.163
50 HA LYS 9 HA LYS 9 -1.472 7.191 -16.200
51 HB2 LYS 9 1HB LYS 9 0.129 6.857 -13.867
52 HB3 LYS 9 2HB LYS 9 -0.043 8.369 -14.459
53 HG2 LYS 9 1HG LYS 9 -2.430 8.081 -14.294
54 HG3 LYS 9 2HG LYS 9 -2.155 6.670 -13.519
55 HD2 LYS 9 1HD LYS 9 -0.870 7.869 -11.930
56 HD3 LYS 9 2HD LYS 9 -1.339 9.252 -12.660
57 HE2 LYS 9 1HE LYS 9 -3.559 8.916 -12.042
58 HE3 LYS 9 2HE LYS 9 -3.249 7.388 -11.556
59 HZ1 LYS 9 1HZ LYS 9 -3.432 8.823 -9.672
60 HZ2 LYS 9 2HZ LYS 9 -2.236 9.746 -10.248
61 HZ3 LYS 9 3HZ LYS 9 -1.929 8.233 -9.767
62 H ALA 10 H ALA 10 -0.584 8.947 -17.210
63 HA ALA 10 HA ALA 10 1.739 8.561 -18.685
64 HB1 ALA 10 1HB ALA 10 0.051 10.079 -19.478
65 HB2 ALA 10 2HB ALA 10 1.450 10.881 -19.361
66 HB3 ALA 10 3HB ALA 10 0.316 11.062 -18.222
67 H ASP 11 H ASP 11 3.728 9.879 -18.571
68 HA ASP 11 HA ASP 11 4.727 10.030 -15.971
69 HB2 ASP 11 1HB ASP 11 6.723 10.864 -17.042
70 HB3 ASP 11 2HB ASP 11 6.161 9.534 -17.805
71 H GLY 12 H GLY 12 6.136 12.169 -15.432
72 HA2 GLY 12 1HA GLY 12 5.998 14.515 -15.385
73 HA3 GLY 12 2HA GLY 12 4.420 14.454 -15.800
74 H LEU 13 H LEU 13 4.560 16.118 -13.889
75 HA LEU 13 HA LEU 13 4.489 14.718 -11.415
76 HB2 LEU 13 1HB LEU 13 4.425 17.570 -11.870
77 HB3 LEU 13 2HB LEU 13 4.452 16.908 -10.377
78 HG LEU 13 HG LEU 13 6.636 16.888 -12.240
79 HD11 LEU 13 1HD1 LEU 13 7.685 18.332 -10.590
80 HD12 LEU 13 2HD1 LEU 13 6.349 18.261 -9.683
81 HD13 LEU 13 3HD1 LEU 13 6.315 19.011 -11.115
82 HD21 LEU 13 1HD2 LEU 13 7.950 15.866 -10.554
83 HD22 LEU 13 2HD2 LEU 13 6.729 14.896 -10.980
84 HD23 LEU 13 3HD2 LEU 13 6.648 15.741 -9.604
85 H TYR 14 H TYR 14 2.763 14.711 -9.913
86 HA TYR 14 HA TYR 14 0.241 15.685 -10.937
87 HB2 TYR 14 1HB TYR 14 0.710 13.158 -9.605
88 HB3 TYR 14 2HB TYR 14 -0.796 13.752 -9.818
89 HD1 TYR 14 HD1 TYR 14 2.004 12.324 -11.498
90 HD2 TYR 14 HD2 TYR 14 -1.914 13.613 -11.984
91 HE1 TYR 14 HE1 TYR 14 1.931 11.277 -13.671
92 HE2 TYR 14 HE2 TYR 14 -2.000 12.532 -14.145
93 HH TYR 14 HH TYR 14 -0.181 10.265 -15.190
94 HA PRO 15 HA PRO 15 0.081 17.697 -7.101
95 HB2 PRO 15 1HB PRO 15 -2.522 18.223 -6.732
96 HB3 PRO 15 2HB PRO 15 -1.722 19.002 -7.923
97 HG2 PRO 15 1HG PRO 15 -3.297 16.635 -8.145
98 HG3 PRO 15 2HG PRO 15 -3.393 17.987 -9.057
99 HD2 PRO 15 1HD PRO 15 -2.064 15.965 -9.948
100 HD3 PRO 15 2HD PRO 15 -1.494 17.471 -10.223
101 H ASN 16 H ASN 16 -0.303 17.710 -4.930
102 HA ASN 16 HA ASN 16 -0.758 15.075 -3.945
103 HB2 ASN 16 1HB ASN 16 0.406 15.790 -2.008
104 HB3 ASN 16 2HB ASN 16 1.254 16.290 -3.312
105 HD21 ASN 16 1HD2 ASN 16 0.658 18.934 -0.658
106 HD22 ASN 16 2HD2 ASN 16 0.994 17.242 -0.502
107 HA PRO 17 HA PRO 17 -4.498 16.216 -2.210
108 HB2 PRO 17 1HB PRO 17 -4.936 14.539 -0.169
109 HB3 PRO 17 2HB PRO 17 -4.885 13.925 -1.681
110 HG2 PRO 17 1HG PRO 17 -2.762 14.017 0.235
111 HG3 PRO 17 2HG PRO 17 -3.250 12.733 -0.649
112 HD2 PRO 17 1HD PRO 17 -1.212 14.161 -1.427
113 HD3 PRO 17 2HD PRO 17 -2.209 13.485 -2.530
114 H ARG 18 H ARG 18 -1.941 16.348 0.062
115 HA ARG 18 HA ARG 18 -2.946 18.750 1.086
116 HB2 ARG 18 1HB ARG 18 -4.275 17.145 2.369
117 HB3 ARG 18 2HB ARG 18 -2.887 16.624 3.055
118 HG2 ARG 18 1HG ARG 18 -2.589 18.682 4.122
119 HG3 ARG 18 2HG ARG 18 -3.881 19.309 3.345
120 HD2 ARG 18 1HD ARG 18 -5.276 17.677 4.474
121 HD3 ARG 18 2HD ARG 18 -3.969 17.218 5.339
122 HE ARG 18 HE ARG 18 -4.236 19.912 5.741
123 HH11 ARG 18 1HH1 ARG 18 -6.050 17.001 6.521
124 HH12 ARG 18 2HH1 ARG 18 -6.777 17.722 7.918
125 HH21 ARG 18 1HH2 ARG 18 -5.211 20.766 7.532
126 HH22 ARG 18 2HH2 ARG 18 -6.309 19.819 8.480
127 H GLU 19 H GLU 19 -1.058 16.368 2.765
128 HA GLU 19 HA GLU 19 0.937 16.663 3.793
129 HB2 GLU 19 1HB GLU 19 1.264 15.892 1.377
130 HB3 GLU 19 2HB GLU 19 2.155 17.258 1.288
131 HG2 GLU 19 1HG GLU 19 2.740 15.332 3.328
132 HG3 GLU 19 2HG GLU 19 3.339 15.119 1.823
133 H ARG 20 H ARG 20 2.970 18.550 2.218
134 HA ARG 20 HA ARG 20 2.212 20.961 3.556
135 HB2 ARG 20 1HB ARG 20 4.877 19.806 3.698
136 HB3 ARG 20 2HB ARG 20 4.530 21.300 4.260
137 HG2 ARG 20 1HG ARG 20 3.390 18.915 5.369
138 HG3 ARG 20 2HG ARG 20 4.721 19.638 5.981
139 HD2 ARG 20 1HD ARG 20 3.395 21.612 6.376
140 HD3 ARG 20 2HD ARG 20 2.076 20.771 5.906
141 HE ARG 20 HE ARG 20 2.033 19.596 7.880
142 HH11 ARG 20 1HH1 ARG 20 2.594 19.305 9.990
143 HH12 ARG 20 2HH1 ARG 20 4.000 20.074 10.648
144 HH21 ARG 20 1HH2 ARG 20 4.925 21.604 7.714
145 HH22 ARG 20 2HH2 ARG 20 5.293 21.349 9.387
146 H SER 21 H SER 21 4.629 19.560 1.437
147 HA SER 21 HA SER 21 4.270 21.591 -0.494
148 HB2 SER 21 1HB SER 21 6.877 21.436 0.840
149 HB3 SER 21 2HB SER 21 6.551 22.453 -0.396
150 HG SER 21 HG SER 21 5.669 23.807 0.873
151 H SER 22 H SER 22 3.774 19.044 -0.929
152 HA SER 22 HA SER 22 5.988 18.131 -2.527
153 HB2 SER 22 1HB SER 22 5.597 15.867 -1.674
154 HB3 SER 22 2HB SER 22 6.005 16.874 -0.454
155 HG SER 22 HG SER 22 3.416 16.243 -1.151
156 H PHE 23 H PHE 23 5.405 16.228 -3.941
157 HA PHE 23 HA PHE 23 2.738 16.303 -4.952
158 HB2 PHE 23 1HB PHE 23 4.261 16.740 -7.162
159 HB3 PHE 23 2HB PHE 23 3.063 17.692 -6.592
160 HD1 PHE 23 HD1 PHE 23 3.572 19.711 -5.282
161 HD2 PHE 23 HD2 PHE 23 6.525 17.226 -6.767
162 HE1 PHE 23 HE1 PHE 23 5.234 21.344 -4.686
163 HE2 PHE 23 HE2 PHE 23 8.205 18.862 -6.221
164 HZ PHE 23 HZ PHE 23 7.549 20.913 -5.161
165 H TYR 24 H TYR 24 2.685 14.772 -6.988
166 HA TYR 24 HA TYR 24 4.336 12.513 -6.325
167 HB2 TYR 24 1HB TYR 24 1.909 12.594 -7.896
168 HB3 TYR 24 2HB TYR 24 2.725 11.219 -7.562
169 HD1 TYR 24 HD1 TYR 24 2.854 10.442 -5.158
170 HD2 TYR 24 HD2 TYR 24 0.214 13.375 -6.431
171 HE1 TYR 24 HE1 TYR 24 1.543 10.113 -3.171
172 HE2 TYR 24 HE2 TYR 24 -1.140 13.008 -4.464
173 HH TYR 24 HH TYR 24 -1.600 11.272 -2.791
174 H SER 25 H SER 25 5.217 11.210 -8.140
175 HA SER 25 HA SER 25 5.339 12.591 -10.654
176 HB2 SER 25 1HB SER 25 7.803 11.426 -9.708
177 HB3 SER 25 2HB SER 25 7.631 12.684 -10.735
178 HG SER 25 HG SER 25 7.558 14.044 -9.179
179 H CYS 26 H CYS 26 5.300 11.222 -12.447
180 HA CYS 26 HA CYS 26 5.477 8.401 -11.817
181 HB2 CYS 26 1HB CYS 26 3.762 9.808 -13.506
182 HB3 CYS 26 2HB CYS 26 4.279 8.361 -14.060
183 H ALA 27 H ALA 27 7.155 7.289 -12.654
184 HA ALA 27 HA ALA 27 8.260 8.153 -15.161
185 HB1 ALA 27 1HB ALA 27 9.639 9.342 -13.602
186 HB2 ALA 27 2HB ALA 27 10.527 8.181 -14.293
187 HB3 ALA 27 3HB ALA 27 9.949 7.974 -12.798
188 H ALA 28 H ALA 28 8.640 6.382 -16.430
189 HA ALA 28 HA ALA 28 8.632 4.257 -16.969
190 HB1 ALA 28 1HB ALA 28 10.906 4.319 -16.036
191 HB2 ALA 28 2HB ALA 28 10.310 2.824 -15.886
192 HB3 ALA 28 3HB ALA 28 10.333 3.816 -14.610
193 H GLY 29 H GLY 29 6.387 4.980 -15.390
194 HA2 GLY 29 1HA GLY 29 4.588 3.864 -14.607
195 HA3 GLY 29 2HA GLY 29 5.341 2.438 -14.867
196 H ARG 30 H ARG 30 7.213 4.370 -12.951
197 HA ARG 30 HA ARG 30 6.309 3.020 -10.568
198 HB2 ARG 30 1HB ARG 30 8.944 4.132 -11.014
199 HB3 ARG 30 2HB ARG 30 8.509 3.247 -9.712
200 HG2 ARG 30 1HG ARG 30 8.845 2.253 -12.386
201 HG3 ARG 30 2HG ARG 30 9.802 1.911 -11.107
202 HD2 ARG 30 1HD ARG 30 7.946 0.754 -10.081
203 HD3 ARG 30 2HD ARG 30 7.069 1.020 -11.432
204 HE ARG 30 HE ARG 30 8.319 -0.527 -12.625
205 HH11 ARG 30 1HH1 ARG 30 9.472 -2.402 -12.653
206 HH12 ARG 30 2HH1 ARG 30 10.283 -2.966 -11.230
207 HH21 ARG 30 1HH2 ARG 30 9.307 -0.330 -9.244
208 HH22 ARG 30 2HH2 ARG 30 10.193 -1.816 -9.334
209 H LEU 31 H LEU 31 6.050 4.141 -8.626
210 HA LEU 31 HA LEU 31 5.474 6.881 -9.044
211 HB2 LEU 31 1HB LEU 31 3.887 5.580 -7.825
212 HB3 LEU 31 2HB LEU 31 5.029 5.191 -6.724
213 HG LEU 31 HG LEU 31 5.036 7.459 -5.961
214 HD11 LEU 31 1HD1 LEU 31 3.379 8.991 -6.714
215 HD12 LEU 31 2HD1 LEU 31 2.874 7.915 -7.812
216 HD13 LEU 31 3HD1 LEU 31 4.348 8.567 -7.937
217 HD21 LEU 31 1HD2 LEU 31 2.910 7.375 -4.835
218 HD22 LEU 31 2HD2 LEU 31 3.598 5.912 -4.824
219 HD23 LEU 31 3HD2 LEU 31 2.405 6.237 -5.866
220 H PHE 32 H PHE 32 6.735 8.547 -8.507
221 HA PHE 32 HA PHE 32 8.594 8.189 -6.302
222 HB2 PHE 32 1HB PHE 32 8.884 9.851 -8.604
223 HB3 PHE 32 2HB PHE 32 9.778 10.076 -7.256
224 HD1 PHE 32 HD1 PHE 32 9.067 7.630 -9.819
225 HD2 PHE 32 HD2 PHE 32 11.768 8.842 -6.905
226 HE1 PHE 32 HE1 PHE 32 10.652 6.007 -10.625
227 HE2 PHE 32 HE2 PHE 32 13.361 7.206 -7.696
228 HZ PHE 32 HZ PHE 32 12.811 5.804 -9.569
229 H GLN 33 H GLN 33 8.424 9.869 -4.658
230 HA GLN 33 HA GLN 33 6.279 11.833 -5.084
231 HB2 GLN 33 1HB GLN 33 7.013 10.518 -2.668
232 HB3 GLN 33 2HB GLN 33 6.112 11.880 -2.691
233 HG2 GLN 33 1HG GLN 33 4.358 10.808 -3.754
234 HG3 GLN 33 2HG GLN 33 5.284 9.510 -4.108
235 HE21 GLN 33 1HE2 GLN 33 4.987 7.971 -0.964
236 HE22 GLN 33 2HE2 GLN 33 6.068 8.161 -2.304
237 H GLN 34 H GLN 34 6.933 13.995 -4.858
238 HA GLN 34 HA GLN 34 9.695 14.346 -4.191
239 HB2 GLN 34 1HB GLN 34 8.381 15.425 -6.559
240 HB3 GLN 34 2HB GLN 34 9.836 15.984 -6.071
241 HG2 GLN 34 1HG GLN 34 9.345 13.282 -6.960
242 HG3 GLN 34 2HG GLN 34 10.082 14.430 -7.858
243 HE21 GLN 34 1HE2 GLN 34 12.576 12.146 -6.291
244 HE22 GLN 34 2HE2 GLN 34 11.138 11.873 -7.217
245 H SER 35 H SER 35 10.361 16.624 -3.850
246 HA SER 35 HA SER 35 8.167 18.432 -3.238
247 HB2 SER 35 1HB SER 35 9.335 19.233 -1.328
248 HB3 SER 35 2HB SER 35 8.934 17.663 -1.131
249 HG SER 35 HG SER 35 11.036 18.035 -0.498
250 H CYS 36 H CYS 36 8.929 20.704 -3.669
251 HA CYS 36 HA CYS 36 11.455 20.806 -5.134
252 HB2 CYS 36 1HB CYS 36 9.050 22.142 -5.748
253 HB3 CYS 36 2HB CYS 36 10.489 22.744 -6.231
254 HA PRO 37 HA PRO 37 11.102 23.214 -1.393
255 HB2 PRO 37 1HB PRO 37 13.404 22.672 -0.084
256 HB3 PRO 37 2HB PRO 37 12.212 21.555 -0.082
257 HG2 PRO 37 1HG PRO 37 14.497 21.672 -1.783
258 HG3 PRO 37 2HG PRO 37 13.896 20.372 -0.999
259 HD2 PRO 37 1HD PRO 37 13.363 20.765 -3.519
260 HD3 PRO 37 2HD PRO 37 12.270 20.047 -2.541
261 H THR 38 H THR 38 14.205 23.395 -2.935
262 HA THR 38 HA THR 38 14.281 26.116 -2.147
263 HB THR 38 HB THR 38 16.698 25.737 -3.121
264 HG1 THR 38 HG1 THR 38 16.425 23.198 -2.288
265 HG21 THR 38 1HG2 THR 38 17.430 24.980 -0.950
266 HG22 THR 38 2HG2 THR 38 15.915 24.558 -0.571
267 HG23 THR 38 3HG2 THR 38 16.301 26.119 -0.744
268 H GLY 39 H GLY 39 13.551 27.664 -3.471
269 HA2 GLY 39 1HA GLY 39 13.749 28.963 -5.287
270 HA3 GLY 39 2HA GLY 39 14.876 27.957 -5.907
271 H LEU 40 H LEU 40 12.505 25.884 -5.705
272 HA LEU 40 HA LEU 40 11.397 26.673 -8.250
273 HB2 LEU 40 1HB LEU 40 11.907 23.969 -7.366
274 HB3 LEU 40 2HB LEU 40 11.246 24.349 -8.810
275 HG LEU 40 HG LEU 40 13.976 24.875 -8.109
276 HD11 LEU 40 1HD1 LEU 40 14.467 23.019 -9.614
277 HD12 LEU 40 2HD1 LEU 40 12.882 22.785 -9.834
278 HD13 LEU 40 3HD1 LEU 40 13.548 22.499 -8.389
279 HD21 LEU 40 1HD2 LEU 40 14.324 25.397 -10.399
280 HD22 LEU 40 2HD2 LEU 40 13.254 26.417 -9.744
281 HD23 LEU 40 3HD2 LEU 40 12.745 25.208 -10.689
282 H VAL 41 H VAL 41 9.154 26.131 -8.678
283 HA VAL 41 HA VAL 41 7.710 25.154 -6.401
284 HB VAL 41 HB VAL 41 5.896 26.813 -6.876
285 HG11 VAL 41 1HG1 VAL 41 6.929 28.567 -5.596
286 HG12 VAL 41 2HG1 VAL 41 8.382 27.905 -5.856
287 HG13 VAL 41 3HG1 VAL 41 7.289 27.127 -4.954
288 HG21 VAL 41 1HG2 VAL 41 6.492 28.807 -8.072
289 HG22 VAL 41 2HG2 VAL 41 6.590 27.525 -9.052
290 HG23 VAL 41 3HG2 VAL 41 7.935 28.171 -8.429
291 H PHE 42 H PHE 42 5.833 23.859 -6.900
292 HA PHE 42 HA PHE 42 5.934 22.776 -9.480
293 HB2 PHE 42 1HB PHE 42 5.358 21.296 -7.776
294 HB3 PHE 42 2HB PHE 42 4.131 22.254 -7.283
295 HD1 PHE 42 HD1 PHE 42 4.977 20.813 -10.524
296 HD2 PHE 42 HD2 PHE 42 2.080 21.183 -7.563
297 HE1 PHE 42 HE1 PHE 42 3.434 19.565 -11.887
298 HE2 PHE 42 HE2 PHE 42 0.537 19.898 -8.893
299 HZ PHE 42 HZ PHE 42 1.214 19.082 -11.069
300 H SER 43 H SER 43 4.916 23.317 -11.315
301 HA SER 43 HA SER 43 2.583 24.998 -11.062
302 HB2 SER 43 1HB SER 43 4.348 26.081 -12.272
303 HB3 SER 43 2HB SER 43 4.338 24.868 -13.366
304 HG SER 43 HG SER 43 2.990 26.058 -14.370
305 H ASN 44 H ASN 44 0.736 23.911 -11.272
306 HA ASN 44 HA ASN 44 0.693 21.358 -12.275
307 HB2 ASN 44 1HB ASN 44 -0.993 22.803 -10.832
308 HB3 ASN 44 2HB ASN 44 -1.821 22.697 -12.236
309 HD21 ASN 44 1HD2 ASN 44 -2.552 19.926 -9.777
310 HD22 ASN 44 2HD2 ASN 44 -2.296 21.621 -9.528
311 H SER 45 H SER 45 0.416 24.280 -13.929
312 HA SER 45 HA SER 45 -1.120 23.379 -16.043
313 HB2 SER 45 1HB SER 45 -0.255 25.416 -17.194
314 HB3 SER 45 2HB SER 45 -0.847 25.744 -15.707
315 HG SER 45 HG SER 45 1.725 25.067 -15.664
316 H CYS 46 H CYS 46 2.291 23.283 -15.526
317 HA CYS 46 HA CYS 46 2.616 22.139 -18.144
318 HB2 CYS 46 1HB CYS 46 4.734 22.796 -18.196
319 HB3 CYS 46 2HB CYS 46 3.982 24.016 -17.412
320 H LYS 47 H LYS 47 2.256 21.209 -15.070
321 HA LYS 47 HA LYS 47 2.607 19.338 -13.942
322 HB2 LYS 47 1HB LYS 47 3.201 17.953 -16.416
323 HB3 LYS 47 2HB LYS 47 2.759 17.225 -15.023
324 HG2 LYS 47 1HG LYS 47 1.012 18.963 -16.504
325 HG3 LYS 47 2HG LYS 47 0.985 17.336 -16.643
326 HD2 LYS 47 1HD LYS 47 0.342 17.131 -14.390
327 HD3 LYS 47 2HD LYS 47 0.431 18.751 -14.200
328 HE2 LYS 47 1HE LYS 47 -1.321 19.018 -15.785
329 HE3 LYS 47 2HE LYS 47 -1.427 17.394 -15.926
330 HZ1 LYS 47 1HZ LYS 47 -3.075 18.192 -14.419
331 HZ2 LYS 47 2HZ LYS 47 -1.923 18.850 -13.495
332 HZ3 LYS 47 3HZ LYS 47 -2.028 17.242 -13.635
333 H CYS 48 H CYS 48 4.708 21.143 -14.239
334 HA CYS 48 HA CYS 48 6.873 19.461 -13.465
335 HB2 CYS 48 1HB CYS 48 8.160 21.406 -14.646
336 HB3 CYS 48 2HB CYS 48 8.013 19.880 -15.209
337 H CYS 49 H CYS 49 8.625 20.719 -12.207
338 HA CYS 49 HA CYS 49 7.477 22.918 -10.826
339 HB2 CYS 49 1HB CYS 49 9.965 21.613 -10.537
340 HB3 CYS 49 2HB CYS 49 9.714 23.057 -9.818
341 H THR 50 H THR 50 8.222 25.103 -10.980
342 HA THR 50 HA THR 50 9.879 25.654 -13.276
343 HB THR 50 HB THR 50 8.535 27.719 -13.562
344 HG1 THR 50 HG1 THR 50 6.391 27.373 -12.441
345 HG21 THR 50 1HG2 THR 50 6.620 26.643 -14.537
346 HG22 THR 50 2HG2 THR 50 6.953 25.282 -13.730
347 HG23 THR 50 3HG2 THR 50 7.938 25.784 -14.910
348 H TRP 51 H TRP 51 11.103 27.763 -13.134
349 HA TRP 51 HA TRP 51 12.258 28.066 -10.610
350 HB2 TRP 51 1HB TRP 51 13.101 28.701 -12.942
351 HB3 TRP 51 2HB TRP 51 12.561 30.171 -12.481
352 HD1 TRP 51 HD1 TRP 51 13.801 28.938 -9.452
353 HE1 TRP 51 HE1 TRP 51 16.161 29.545 -8.875
354 HE3 TRP 51 HE3 TRP 51 15.191 30.464 -14.011
355 HZ2 TRP 51 HZ2 TRP 51 18.353 30.585 -10.320
356 HZ3 TRP 51 HZ3 TRP 51 17.451 31.288 -14.336
357 HH2 TRP 51 HH2 TRP 51 19.013 31.326 -12.496
358 H ASN 52 H ASN 52 11.748 29.371 -8.869
359 HA ASN 52 HA ASN 52 9.219 30.536 -9.084
360 HB2 ASN 52 1HB ASN 52 9.880 29.282 -7.102
361 HB3 ASN 52 2HB ASN 52 10.956 30.457 -6.743
362 HD21 ASN 52 1HD2 ASN 52 8.662 31.852 -4.594
363 HD22 ASN 52 2HD2 ASN 52 10.224 31.130 -4.788
364 H GLY 53 H GLY 53 9.037 32.461 -10.111
365 HA2 GLY 53 1HA GLY 53 8.949 34.724 -9.896
366 HA3 GLY 53 2HA GLY 53 9.914 34.669 -8.580
367 H LEU 54 H LEU 54 11.574 33.054 -10.833
368 HA LEU 54 HA LEU 54 13.265 35.262 -11.265
369 HB2 LEU 54 1HB LEU 54 13.528 32.517 -11.525
370 HB3 LEU 54 2HB LEU 54 14.153 33.254 -12.842
371 HG LEU 54 HG LEU 54 15.836 32.799 -11.303
372 HD11 LEU 54 1HD1 LEU 54 16.856 34.977 -11.103
373 HD12 LEU 54 2HD1 LEU 54 15.443 35.667 -11.483
374 HD13 LEU 54 3HD1 LEU 54 16.227 34.773 -12.579
375 HD21 LEU 54 1HD2 LEU 54 15.883 33.826 -9.118
376 HD22 LEU 54 2HD2 LEU 54 14.615 32.832 -9.260
377 HD23 LEU 54 3HD2 LEU 54 14.406 34.430 -9.381
378 H VAL 55 H VAL 55 14.044 36.058 -13.318
379 HA VAL 55 HA VAL 55 11.869 36.359 -15.118
380 HB VAL 55 HB VAL 55 14.493 37.582 -15.307
381 HG11 VAL 55 1HG1 VAL 55 13.466 39.198 -16.747
382 HG12 VAL 55 2HG1 VAL 55 12.063 38.399 -16.650
383 HG13 VAL 55 3HG1 VAL 55 13.333 37.718 -17.384
384 HG21 VAL 55 1HG2 VAL 55 13.467 39.540 -14.247
385 HG22 VAL 55 2HG2 VAL 55 13.368 38.275 -13.245
386 HG23 VAL 55 3HG2 VAL 55 12.074 38.731 -14.101
387 HA PRO 56 HA PRO 56 13.619 33.210 -17.651
388 HB2 PRO 56 1HB PRO 56 11.564 32.652 -19.211
389 HB3 PRO 56 2HB PRO 56 11.347 32.410 -17.611
390 HG2 PRO 56 1HG PRO 56 10.562 34.664 -19.163
391 HG3 PRO 56 2HG PRO 56 9.673 33.845 -18.064
392 HD2 PRO 56 1HD PRO 56 10.964 36.091 -17.460
393 HD3 PRO 56 2HD PRO 56 10.580 34.976 -16.330
394 H ARG 57 H ARG 57 13.778 36.137 -18.421
395 HA ARG 57 HA ARG 57 14.750 35.653 -21.073
396 HB2 ARG 57 1HB ARG 57 13.622 37.524 -22.004
397 HB3 ARG 57 2HB ARG 57 12.523 36.470 -21.414
398 HG2 ARG 57 1HG ARG 57 11.928 37.840 -19.734
399 HG3 ARG 57 2HG ARG 57 13.344 38.652 -19.771
400 HD2 ARG 57 1HD ARG 57 12.602 39.496 -21.979
401 HD3 ARG 57 2HD ARG 57 11.117 38.965 -21.553
402 HE ARG 57 HE ARG 57 10.848 40.698 -20.101
403 HH11 ARG 57 1HH1 ARG 57 14.220 40.537 -21.130
404 HH12 ARG 57 2HH1 ARG 57 14.597 42.066 -20.409
405 HH21 ARG 57 1HH2 ARG 57 11.425 42.630 -19.209
406 HH22 ARG 57 2HH2 ARG 57 13.046 43.225 -19.344
Start of MODEL 10
1 H1 GLY 1 1H GLY 1 -8.909 -4.800 -4.833
2 H2 GLY 1 2H GLY 1 -8.372 -3.303 -4.543
3 H3 GLY 1 3H GLY 1 -7.722 -4.561 -3.762
4 HA2 GLY 1 1HA GLY 1 -6.842 -5.375 -5.788
5 HA3 GLY 1 2HA GLY 1 -7.498 -4.105 -6.577
6 H SER 2 H SER 2 -5.074 -4.015 -7.239
7 HA SER 2 HA SER 2 -3.303 -2.943 -5.334
8 HB2 SER 2 1HB SER 2 -2.569 -4.043 -7.378
9 HB3 SER 2 2HB SER 2 -3.088 -2.746 -8.223
10 HG SER 2 HG SER 2 -0.813 -3.097 -6.976
11 HA PRO 3 HA PRO 3 -4.847 1.099 -5.484
12 HB2 PRO 3 1HB PRO 3 -2.826 2.665 -4.696
13 HB3 PRO 3 2HB PRO 3 -3.543 1.683 -3.605
14 HG2 PRO 3 1HG PRO 3 -1.147 1.192 -5.082
15 HG3 PRO 3 2HG PRO 3 -1.388 0.996 -3.479
16 HD2 PRO 3 1HD PRO 3 -1.538 -1.053 -5.057
17 HD3 PRO 3 2HD PRO 3 -2.542 -0.949 -3.773
18 H THR 4 H THR 4 -5.519 2.264 -7.054
19 HA THR 4 HA THR 4 -3.884 2.331 -9.346
20 HB THR 4 HB THR 4 -6.001 3.316 -10.368
21 HG1 THR 4 HG1 THR 4 -7.768 3.446 -9.103
22 HG21 THR 4 1HG2 THR 4 -7.226 1.252 -10.267
23 HG22 THR 4 2HG2 THR 4 -6.343 0.770 -9.001
24 HG23 THR 4 3HG2 THR 4 -5.657 0.908 -10.459
25 H PHE 5 H PHE 5 -2.999 4.034 -7.242
26 HA PHE 5 HA PHE 5 -3.762 6.621 -7.688
27 HB2 PHE 5 1HB PHE 5 -2.526 5.873 -5.733
28 HB3 PHE 5 2HB PHE 5 -1.179 5.798 -6.653
29 HD1 PHE 5 HD1 PHE 5 0.026 7.848 -7.300
30 HD2 PHE 5 HD2 PHE 5 -3.428 8.010 -4.987
31 HE1 PHE 5 HE1 PHE 5 0.545 10.134 -6.695
32 HE2 PHE 5 HE2 PHE 5 -2.951 10.304 -4.425
33 HZ PHE 5 HZ PHE 5 -0.958 11.363 -5.266
34 H CYS 6 H CYS 6 -1.127 4.857 -9.079
35 HA CYS 6 HA CYS 6 -0.697 7.022 -10.943
36 HB2 CYS 6 1HB CYS 6 1.112 6.608 -9.467
37 HB3 CYS 6 2HB CYS 6 1.204 5.082 -10.042
38 H GLN 7 H GLN 7 -1.779 3.918 -10.636
39 HA GLN 7 HA GLN 7 -0.852 2.826 -13.013
40 HB2 GLN 7 1HB GLN 7 -3.103 2.143 -11.369
41 HB3 GLN 7 2HB GLN 7 -2.551 1.189 -12.574
42 HG2 GLN 7 1HG GLN 7 -0.513 0.884 -11.412
43 HG3 GLN 7 2HG GLN 7 -1.043 1.859 -10.214
44 HE21 GLN 7 1HE2 GLN 7 -1.395 -1.656 -9.169
45 HE22 GLN 7 2HE2 GLN 7 -0.080 -0.686 -9.744
46 H GLY 8 H GLY 8 -1.469 3.035 -15.085
47 HA2 GLY 8 1HA GLY 8 -2.878 3.554 -16.784
48 HA3 GLY 8 2HA GLY 8 -4.119 3.709 -15.734
49 H LYS 9 H LYS 9 -1.431 5.571 -14.974
50 HA LYS 9 HA LYS 9 -2.731 7.916 -16.055
51 HB2 LYS 9 1HB LYS 9 -1.169 7.670 -13.650
52 HB3 LYS 9 2HB LYS 9 -1.615 9.122 -14.248
53 HG2 LYS 9 1HG LYS 9 -3.922 8.273 -14.102
54 HG3 LYS 9 2HG LYS 9 -3.303 7.109 -13.137
55 HD2 LYS 9 1HD LYS 9 -2.364 8.829 -11.796
56 HD3 LYS 9 2HD LYS 9 -3.192 9.911 -12.697
57 HE2 LYS 9 1HE LYS 9 -5.234 9.065 -11.960
58 HE3 LYS 9 2HE LYS 9 -4.502 7.795 -11.240
59 HZ1 LYS 9 1HZ LYS 9 -5.098 9.422 -9.615
60 HZ2 LYS 9 2HZ LYS 9 -4.214 10.532 -10.391
61 HZ3 LYS 9 3HZ LYS 9 -3.489 9.275 -9.678
62 H ALA 10 H ALA 10 -1.570 9.582 -17.037
63 HA ALA 10 HA ALA 10 0.726 8.744 -18.373
64 HB1 ALA 10 1HB ALA 10 -0.709 10.415 -19.344
65 HB2 ALA 10 2HB ALA 10 0.786 11.019 -19.231
66 HB3 ALA 10 3HB ALA 10 -0.342 11.446 -18.154
67 H ASP 11 H ASP 11 2.913 9.429 -18.175
68 HA ASP 11 HA ASP 11 3.745 9.762 -15.556
69 HB2 ASP 11 1HB ASP 11 5.144 9.842 -18.064
70 HB3 ASP 11 2HB ASP 11 5.954 10.231 -16.700
71 H GLY 12 H GLY 12 5.255 11.533 -14.769
72 HA2 GLY 12 1HA GLY 12 5.773 13.889 -15.161
73 HA3 GLY 12 2HA GLY 12 4.226 14.104 -15.638
74 H LEU 13 H LEU 13 4.536 15.871 -13.830
75 HA LEU 13 HA LEU 13 4.353 14.653 -11.283
76 HB2 LEU 13 1HB LEU 13 4.500 17.472 -11.937
77 HB3 LEU 13 2HB LEU 13 4.592 16.906 -10.407
78 HG LEU 13 HG LEU 13 6.638 16.770 -12.400
79 HD11 LEU 13 1HD1 LEU 13 7.851 18.084 -10.735
80 HD12 LEU 13 2HD1 LEU 13 6.572 18.007 -9.749
81 HD13 LEU 13 3HD1 LEU 13 6.480 18.846 -11.128
82 HD21 LEU 13 1HD2 LEU 13 8.011 15.607 -10.888
83 HD22 LEU 13 2HD2 LEU 13 6.721 14.718 -11.287
84 HD23 LEU 13 3HD2 LEU 13 6.773 15.470 -9.856
85 H TYR 14 H TYR 14 2.847 15.112 -9.635
86 HA TYR 14 HA TYR 14 0.328 16.255 -10.499
87 HB2 TYR 14 1HB TYR 14 0.640 13.725 -9.160
88 HB3 TYR 14 2HB TYR 14 -0.798 14.491 -9.270
89 HD1 TYR 14 HD1 TYR 14 1.670 12.713 -11.132
90 HD2 TYR 14 HD2 TYR 14 -2.068 14.496 -11.377
91 HE1 TYR 14 HE1 TYR 14 1.327 11.678 -13.289
92 HE2 TYR 14 HE2 TYR 14 -2.433 13.434 -13.524
93 HH TYR 14 HH TYR 14 -1.040 10.964 -14.679
94 HA PRO 15 HA PRO 15 1.014 18.388 -6.827
95 HB2 PRO 15 1HB PRO 15 -1.382 19.366 -6.119
96 HB3 PRO 15 2HB PRO 15 -0.683 19.923 -7.486
97 HG2 PRO 15 1HG PRO 15 -2.649 17.870 -7.242
98 HG3 PRO 15 2HG PRO 15 -2.647 19.136 -8.275
99 HD2 PRO 15 1HD PRO 15 -1.839 16.799 -9.081
100 HD3 PRO 15 2HD PRO 15 -1.128 18.150 -9.660
101 H ASN 16 H ASN 16 1.304 18.293 -4.663
102 HA ASN 16 HA ASN 16 -0.046 16.073 -3.451
103 HB2 ASN 16 1HB ASN 16 2.412 16.171 -3.388
104 HB3 ASN 16 2HB ASN 16 2.263 17.411 -2.335
105 HD21 ASN 16 1HD2 ASN 16 2.824 14.284 -0.476
106 HD22 ASN 16 2HD2 ASN 16 3.680 15.149 -1.709
107 HA PRO 17 HA PRO 17 -2.121 19.177 -1.187
108 HB2 PRO 17 1HB PRO 17 -4.012 17.795 0.092
109 HB3 PRO 17 2HB PRO 17 -4.160 17.962 -1.525
110 HG2 PRO 17 1HG PRO 17 -3.006 15.765 -0.104
111 HG3 PRO 17 2HG PRO 17 -4.148 15.703 -1.270
112 HD2 PRO 17 1HD PRO 17 -1.655 15.306 -1.884
113 HD3 PRO 17 2HD PRO 17 -2.634 16.085 -2.934
114 H ARG 18 H ARG 18 -0.531 16.561 0.160
115 HA ARG 18 HA ARG 18 -0.950 17.211 2.822
116 HB2 ARG 18 1HB ARG 18 1.192 15.629 1.672
117 HB3 ARG 18 2HB ARG 18 0.913 15.694 3.280
118 HG2 ARG 18 1HG ARG 18 -1.128 14.590 2.991
119 HG3 ARG 18 2HG ARG 18 -0.905 14.570 1.373
120 HD2 ARG 18 1HD ARG 18 0.987 13.174 1.613
121 HD3 ARG 18 2HD ARG 18 0.885 13.271 3.240
122 HE ARG 18 HE ARG 18 -0.686 11.616 1.532
123 HH11 ARG 18 1HH1 ARG 18 -1.965 10.082 2.470
124 HH12 ARG 18 2HH1 ARG 18 -2.244 10.082 4.179
125 HH21 ARG 18 1HH2 ARG 18 -0.311 12.861 4.809
126 HH22 ARG 18 2HH2 ARG 18 -1.325 11.629 5.483
127 H GLU 19 H GLU 19 1.873 17.683 0.809
128 HA GLU 19 HA GLU 19 2.619 19.849 2.549
129 HB2 GLU 19 1HB GLU 19 4.568 18.356 1.071
130 HB3 GLU 19 2HB GLU 19 4.874 19.494 2.201
131 HG2 GLU 19 1HG GLU 19 5.366 17.622 3.304
132 HG3 GLU 19 2HG GLU 19 3.826 17.885 3.781
133 H ARG 20 H ARG 20 3.132 21.839 1.485
134 HA ARG 20 HA ARG 20 2.513 21.964 -1.292
135 HB2 ARG 20 1HB ARG 20 3.548 24.089 0.368
136 HB3 ARG 20 2HB ARG 20 2.836 24.293 -1.088
137 HG2 ARG 20 1HG ARG 20 1.519 23.446 1.317
138 HG3 ARG 20 2HG ARG 20 1.318 24.885 0.572
139 HD2 ARG 20 1HD ARG 20 0.455 23.641 -1.355
140 HD3 ARG 20 2HD ARG 20 0.435 22.318 -0.398
141 HE ARG 20 HE ARG 20 -1.007 24.391 0.800
142 HH11 ARG 20 1HH1 ARG 20 -1.293 21.924 -1.698
143 HH12 ARG 20 2HH1 ARG 20 -3.022 21.895 -1.594
144 HH21 ARG 20 1HH2 ARG 20 -3.216 24.312 0.865
145 HH22 ARG 20 2HH2 ARG 20 -4.094 23.229 -0.163
146 H SER 21 H SER 21 5.097 21.497 0.649
147 HA SER 21 HA SER 21 7.115 22.395 -1.044
148 HB2 SER 21 1HB SER 21 7.434 20.535 1.203
149 HB3 SER 21 2HB SER 21 8.558 21.612 0.709
150 HG SER 21 HG SER 21 7.151 23.276 1.374
151 H SER 22 H SER 22 5.222 19.887 -1.504
152 HA SER 22 HA SER 22 7.273 18.332 -2.732
153 HB2 SER 22 1HB SER 22 6.464 16.293 -1.713
154 HB3 SER 22 2HB SER 22 6.659 17.364 -0.496
155 HG SER 22 HG SER 22 4.385 17.921 -1.072
156 H PHE 23 H PHE 23 6.421 16.492 -4.091
157 HA PHE 23 HA PHE 23 3.827 17.026 -5.150
158 HB2 PHE 23 1HB PHE 23 4.717 16.857 -7.442
159 HB3 PHE 23 2HB PHE 23 5.105 18.244 -6.671
160 HD1 PHE 23 HD1 PHE 23 7.277 18.965 -6.654
161 HD2 PHE 23 HD2 PHE 23 6.519 14.949 -7.351
162 HE1 PHE 23 HE1 PHE 23 9.623 18.613 -7.079
163 HE2 PHE 23 HE2 PHE 23 8.846 14.583 -7.839
164 HZ PHE 23 HZ PHE 23 10.415 16.415 -7.675
165 H TYR 24 H TYR 24 3.165 15.285 -6.738
166 HA TYR 24 HA TYR 24 4.264 12.720 -5.964
167 HB2 TYR 24 1HB TYR 24 1.768 13.341 -7.249
168 HB3 TYR 24 2HB TYR 24 2.312 11.813 -7.062
169 HD1 TYR 24 HD1 TYR 24 2.704 11.008 -4.630
170 HD2 TYR 24 HD2 TYR 24 0.347 14.274 -5.621
171 HE1 TYR 24 HE1 TYR 24 1.616 10.878 -2.479
172 HE2 TYR 24 HE2 TYR 24 -0.777 14.104 -3.490
173 HH TYR 24 HH TYR 24 -1.225 12.518 -1.697
174 H SER 25 H SER 25 4.960 11.338 -7.782
175 HA SER 25 HA SER 25 4.963 12.622 -10.351
176 HB2 SER 25 1HB SER 25 7.150 13.071 -9.446
177 HB3 SER 25 2HB SER 25 7.378 11.472 -9.204
178 HG SER 25 HG SER 25 8.385 11.870 -11.044
179 H CYS 26 H CYS 26 4.671 11.263 -12.060
180 HA CYS 26 HA CYS 26 4.555 8.425 -11.462
181 HB2 CYS 26 1HB CYS 26 3.097 10.019 -13.241
182 HB3 CYS 26 2HB CYS 26 3.368 8.458 -13.636
183 H ALA 27 H ALA 27 6.163 7.203 -12.391
184 HA ALA 27 HA ALA 27 7.423 8.155 -14.794
185 HB1 ALA 27 1HB ALA 27 8.875 9.005 -13.096
186 HB2 ALA 27 2HB ALA 27 9.641 7.823 -13.891
187 HB3 ALA 27 3HB ALA 27 8.998 7.534 -12.435
188 H ALA 28 H ALA 28 7.189 6.514 -16.202
189 HA ALA 28 HA ALA 28 6.811 4.462 -16.934
190 HB1 ALA 28 1HB ALA 28 9.140 4.061 -16.405
191 HB2 ALA 28 2HB ALA 28 8.310 2.683 -16.238
192 HB3 ALA 28 3HB ALA 28 8.726 3.539 -14.932
193 H GLY 29 H GLY 29 4.952 5.461 -15.093
194 HA2 GLY 29 1HA GLY 29 3.075 4.647 -14.141
195 HA3 GLY 29 2HA GLY 29 3.553 3.117 -14.457
196 H ARG 30 H ARG 30 6.030 4.341 -12.802
197 HA ARG 30 HA ARG 30 5.161 3.142 -10.368
198 HB2 ARG 30 1HB ARG 30 7.720 4.359 -10.906
199 HB3 ARG 30 2HB ARG 30 7.387 3.402 -9.625
200 HG2 ARG 30 1HG ARG 30 7.115 1.566 -11.097
201 HG3 ARG 30 2HG ARG 30 7.520 2.532 -12.350
202 HD2 ARG 30 1HD ARG 30 9.622 2.961 -11.175
203 HD3 ARG 30 2HD ARG 30 9.218 1.732 -10.178
204 HE ARG 30 HE ARG 30 9.063 0.779 -12.764
205 HH11 ARG 30 1HH1 ARG 30 10.664 -0.450 -13.674
206 HH12 ARG 30 2HH1 ARG 30 12.259 -0.462 -12.999
207 HH21 ARG 30 1HH2 ARG 30 11.545 1.765 -10.469
208 HH22 ARG 30 2HH2 ARG 30 12.751 0.770 -11.215
209 H LEU 31 H LEU 31 5.079 4.208 -8.325
210 HA LEU 31 HA LEU 31 4.480 6.988 -8.587
211 HB2 LEU 31 1HB LEU 31 3.186 5.193 -7.297
212 HB3 LEU 31 2HB LEU 31 4.216 5.603 -6.098
213 HG LEU 31 HG LEU 31 2.162 7.243 -7.221
214 HD11 LEU 31 1HD1 LEU 31 1.338 7.193 -4.901
215 HD12 LEU 31 2HD1 LEU 31 2.606 6.280 -4.485
216 HD13 LEU 31 3HD1 LEU 31 1.469 5.684 -5.468
217 HD21 LEU 31 1HD2 LEU 31 2.752 9.025 -5.790
218 HD22 LEU 31 2HD2 LEU 31 3.926 8.728 -6.863
219 HD23 LEU 31 3HD2 LEU 31 4.081 8.224 -5.334
220 H PHE 32 H PHE 32 5.945 8.568 -8.120
221 HA PHE 32 HA PHE 32 7.905 7.949 -6.076
222 HB2 PHE 32 1HB PHE 32 8.203 9.663 -8.357
223 HB3 PHE 32 2HB PHE 32 9.232 9.747 -7.092
224 HD1 PHE 32 HD1 PHE 32 8.059 7.527 -9.670
225 HD2 PHE 32 HD2 PHE 32 11.077 8.269 -6.912
226 HE1 PHE 32 HE1 PHE 32 9.398 5.794 -10.683
227 HE2 PHE 32 HE2 PHE 32 12.417 6.517 -7.899
228 HZ PHE 32 HZ PHE 32 11.581 5.287 -9.795
229 H GLN 33 H GLN 33 7.901 9.265 -4.247
230 HA GLN 33 HA GLN 33 6.262 11.677 -4.355
231 HB2 GLN 33 1HB GLN 33 6.785 10.065 -2.038
232 HB3 GLN 33 2HB GLN 33 5.882 11.426 -2.050
233 HG2 GLN 33 1HG GLN 33 4.270 10.339 -3.429
234 HG3 GLN 33 2HG GLN 33 5.170 8.977 -3.403
235 HE21 GLN 33 1HE2 GLN 33 3.882 7.739 -0.466
236 HE22 GLN 33 2HE2 GLN 33 4.911 7.484 -1.835
237 H GLN 34 H GLN 34 7.559 13.540 -4.371
238 HA GLN 34 HA GLN 34 10.016 13.388 -2.922
239 HB2 GLN 34 1HB GLN 34 9.938 14.207 -5.711
240 HB3 GLN 34 2HB GLN 34 11.276 14.334 -4.783
241 HG2 GLN 34 1HG GLN 34 11.377 11.965 -4.635
242 HG3 GLN 34 2HG GLN 34 10.069 11.860 -5.606
243 HE21 GLN 34 1HE2 GLN 34 11.885 11.811 -8.506
244 HE22 GLN 34 2HE2 GLN 34 10.427 11.402 -7.666
245 H SER 35 H SER 35 11.069 15.451 -2.462
246 HA SER 35 HA SER 35 9.164 17.579 -2.333
247 HB2 SER 35 1HB SER 35 10.857 18.599 -0.848
248 HB3 SER 35 2HB SER 35 10.344 17.145 -0.309
249 HG SER 35 HG SER 35 12.510 17.115 -0.191
250 H CYS 36 H CYS 36 9.801 19.838 -2.872
251 HA CYS 36 HA CYS 36 11.673 19.897 -5.092
252 HB2 CYS 36 1HB CYS 36 9.448 20.428 -5.637
253 HB3 CYS 36 2HB CYS 36 9.506 21.671 -4.579
254 HA PRO 37 HA PRO 37 13.618 22.287 -2.087
255 HB2 PRO 37 1HB PRO 37 16.090 22.696 -3.097
256 HB3 PRO 37 2HB PRO 37 15.676 21.182 -2.644
257 HG2 PRO 37 1HG PRO 37 15.579 22.305 -5.277
258 HG3 PRO 37 2HG PRO 37 16.192 20.858 -4.834
259 HD2 PRO 37 1HD PRO 37 13.774 21.045 -5.828
260 HD3 PRO 37 2HD PRO 37 14.139 19.891 -4.731
261 H THR 38 H THR 38 13.864 23.738 -5.219
262 HA THR 38 HA THR 38 14.239 26.227 -3.877
263 HB THR 38 HB THR 38 14.694 25.767 -6.673
264 HG1 THR 38 HG1 THR 38 15.930 24.368 -5.346
265 HG21 THR 38 1HG2 THR 38 16.158 27.674 -6.550
266 HG22 THR 38 2HG2 THR 38 15.814 27.846 -4.979
267 HG23 THR 38 3HG2 THR 38 14.670 28.111 -6.091
268 H GLY 39 H GLY 39 12.592 27.621 -3.529
269 HA2 GLY 39 1HA GLY 39 10.961 29.027 -4.258
270 HA3 GLY 39 2HA GLY 39 11.233 28.556 -5.798
271 H LEU 40 H LEU 40 10.408 26.326 -3.375
272 HA LEU 40 HA LEU 40 8.952 24.951 -5.077
273 HB2 LEU 40 1HB LEU 40 7.976 24.100 -2.682
274 HB3 LEU 40 2HB LEU 40 9.473 23.681 -3.181
275 HG LEU 40 HG LEU 40 10.365 25.494 -1.941
276 HD11 LEU 40 1HD1 LEU 40 9.052 26.620 -0.233
277 HD12 LEU 40 2HD1 LEU 40 7.721 25.884 -0.783
278 HD13 LEU 40 3HD1 LEU 40 8.485 26.969 -1.707
279 HD21 LEU 40 1HD2 LEU 40 10.114 24.506 0.264
280 HD22 LEU 40 2HD2 LEU 40 10.354 23.364 -0.855
281 HD23 LEU 40 3HD2 LEU 40 8.866 23.638 -0.285
282 H VAL 41 H VAL 41 7.365 25.460 -6.305
283 HA VAL 41 HA VAL 41 4.835 25.091 -5.039
284 HB VAL 41 HB VAL 41 3.676 26.657 -6.550
285 HG11 VAL 41 1HG1 VAL 41 4.066 28.593 -5.209
286 HG12 VAL 41 2HG1 VAL 41 5.399 27.911 -4.599
287 HG13 VAL 41 3HG1 VAL 41 3.946 27.282 -4.270
288 HG21 VAL 41 1HG2 VAL 41 4.916 28.425 -7.542
289 HG22 VAL 41 2HG2 VAL 41 5.377 27.004 -8.161
290 HG23 VAL 41 3HG2 VAL 41 6.298 27.741 -7.055
291 H PHE 42 H PHE 42 3.248 24.175 -6.798
292 HA PHE 42 HA PHE 42 4.789 22.994 -8.926
293 HB2 PHE 42 1HB PHE 42 3.925 21.262 -7.644
294 HB3 PHE 42 2HB PHE 42 2.458 21.974 -7.558
295 HD1 PHE 42 HD1 PHE 42 4.663 20.702 -10.172
296 HD2 PHE 42 HD2 PHE 42 0.758 21.018 -8.793
297 HE1 PHE 42 HE1 PHE 42 3.890 19.470 -12.081
298 HE2 PHE 42 HE2 PHE 42 -0.013 19.716 -10.664
299 HZ PHE 42 HZ PHE 42 1.556 18.942 -12.317
300 H SER 43 H SER 43 4.355 23.418 -11.027
301 HA SER 43 HA SER 43 1.935 24.883 -11.553
302 HB2 SER 43 1HB SER 43 3.840 26.090 -12.267
303 HB3 SER 43 2HB SER 43 4.386 24.802 -13.109
304 HG SER 43 HG SER 43 3.426 25.639 -14.715
305 H ASN 44 H ASN 44 0.270 23.696 -12.318
306 HA ASN 44 HA ASN 44 0.650 21.174 -13.311
307 HB2 ASN 44 1HB ASN 44 -1.561 22.850 -12.937
308 HB3 ASN 44 2HB ASN 44 -1.768 21.942 -14.278
309 HD21 ASN 44 1HD2 ASN 44 -2.804 20.411 -10.902
310 HD22 ASN 44 2HD2 ASN 44 -2.698 22.092 -11.303
311 H SER 45 H SER 45 0.413 24.170 -15.007
312 HA SER 45 HA SER 45 0.065 23.062 -17.533
313 HB2 SER 45 1HB SER 45 0.831 25.349 -18.269
314 HB3 SER 45 2HB SER 45 -0.474 25.346 -17.288
315 HG SER 45 HG SER 45 1.541 26.695 -16.859
316 H CYS 46 H CYS 46 2.860 23.826 -15.685
317 HA CYS 46 HA CYS 46 4.653 23.287 -17.799
318 HB2 CYS 46 1HB CYS 46 5.189 24.775 -16.042
319 HB3 CYS 46 2HB CYS 46 5.140 23.531 -14.985
320 H LYS 47 H LYS 47 2.977 21.556 -15.509
321 HA LYS 47 HA LYS 47 3.067 19.431 -14.713
322 HB2 LYS 47 1HB LYS 47 3.066 19.002 -17.153
323 HB3 LYS 47 2HB LYS 47 4.636 18.598 -16.953
324 HG2 LYS 47 1HG LYS 47 3.393 16.651 -17.017
325 HG3 LYS 47 2HG LYS 47 3.954 16.837 -15.494
326 HD2 LYS 47 1HD LYS 47 1.864 17.561 -14.756
327 HD3 LYS 47 2HD LYS 47 1.288 17.577 -16.284
328 HE2 LYS 47 1HE LYS 47 1.332 15.260 -16.408
329 HE3 LYS 47 2HE LYS 47 2.190 15.147 -15.023
330 HZ1 LYS 47 1HZ LYS 47 -0.079 14.619 -14.623
331 HZ2 LYS 47 2HZ LYS 47 -0.526 16.069 -15.182
332 HZ3 LYS 47 3HZ LYS 47 0.324 15.957 -13.810
333 H CYS 48 H CYS 48 5.040 21.415 -14.020
334 HA CYS 48 HA CYS 48 7.109 19.725 -13.021
335 HB2 CYS 48 1HB CYS 48 8.818 20.873 -13.917
336 HB3 CYS 48 2HB CYS 48 7.736 20.798 -15.138
337 H CYS 49 H CYS 49 8.572 20.834 -11.374
338 HA CYS 49 HA CYS 49 7.053 22.519 -9.672
339 HB2 CYS 49 1HB CYS 49 8.542 20.948 -8.786
340 HB3 CYS 49 2HB CYS 49 9.790 21.728 -9.494
341 H THR 50 H THR 50 7.265 24.782 -9.443
342 HA THR 50 HA THR 50 9.227 26.027 -11.131
343 HB THR 50 HB THR 50 7.519 27.802 -11.640
344 HG1 THR 50 HG1 THR 50 5.326 26.834 -11.367
345 HG21 THR 50 1HG2 THR 50 6.383 26.544 -13.316
346 HG22 THR 50 2HG2 THR 50 6.820 25.160 -12.602
347 HG23 THR 50 3HG2 THR 50 7.937 26.098 -13.301
348 H TRP 51 H TRP 51 9.574 28.424 -10.543
349 HA TRP 51 HA TRP 51 9.823 28.629 -7.767
350 HB2 TRP 51 1HB TRP 51 10.229 30.618 -9.820
351 HB3 TRP 51 2HB TRP 51 10.549 30.920 -8.248
352 HD1 TRP 51 HD1 TRP 51 11.851 27.751 -8.340
353 HE1 TRP 51 HE1 TRP 51 14.280 27.538 -8.912
354 HE3 TRP 51 HE3 TRP 51 12.405 32.289 -10.354
355 HZ2 TRP 51 HZ2 TRP 51 16.187 29.245 -10.106
356 HZ3 TRP 51 HZ3 TRP 51 14.586 32.954 -11.167
357 HH2 TRP 51 HH2 TRP 51 16.455 31.430 -11.043
358 H ASN 52 H ASN 52 8.735 30.068 -6.301
359 HA ASN 52 HA ASN 52 6.046 30.408 -6.943
360 HB2 ASN 52 1HB ASN 52 6.870 29.869 -4.692
361 HB3 ASN 52 2HB ASN 52 7.394 31.411 -4.567
362 HD21 ASN 52 1HD2 ASN 52 4.366 31.622 -2.739
363 HD22 ASN 52 2HD2 ASN 52 6.041 31.217 -2.565
364 H GLY 53 H GLY 53 5.729 31.852 -8.607
365 HA2 GLY 53 1HA GLY 53 5.024 33.947 -9.122
366 HA3 GLY 53 2HA GLY 53 5.580 34.520 -7.697
367 H LEU 54 H LEU 54 7.963 32.911 -9.375
368 HA LEU 54 HA LEU 54 8.899 35.345 -10.611
369 HB2 LEU 54 1HB LEU 54 10.041 34.980 -8.524
370 HB3 LEU 54 2HB LEU 54 10.625 33.582 -9.134
371 HG LEU 54 HG LEU 54 11.898 34.782 -10.727
372 HD11 LEU 54 1HD1 LEU 54 12.039 37.169 -10.730
373 HD12 LEU 54 2HD1 LEU 54 10.884 37.253 -9.601
374 HD13 LEU 54 3HD1 LEU 54 10.528 36.714 -11.083
375 HD21 LEU 54 1HD2 LEU 54 13.409 35.801 -9.156
376 HD22 LEU 54 2HD2 LEU 54 12.862 34.397 -8.569
377 HD23 LEU 54 3HD2 LEU 54 12.242 35.793 -8.037
378 H VAL 55 H VAL 55 9.766 35.175 -12.654
379 HA VAL 55 HA VAL 55 10.138 32.467 -13.630
380 HB VAL 55 HB VAL 55 9.145 34.677 -15.231
381 HG11 VAL 55 1HG1 VAL 55 8.747 33.045 -16.933
382 HG12 VAL 55 2HG1 VAL 55 9.392 31.899 -15.992
383 HG13 VAL 55 3HG1 VAL 55 10.320 33.093 -16.565
384 HG21 VAL 55 1HG2 VAL 55 6.999 33.546 -15.202
385 HG22 VAL 55 2HG2 VAL 55 7.426 33.936 -13.692
386 HG23 VAL 55 3HG2 VAL 55 7.603 32.416 -14.216
387 HA PRO 56 HA PRO 56 14.020 34.287 -14.116
388 HB2 PRO 56 1HB PRO 56 15.546 32.231 -14.982
389 HB3 PRO 56 2HB PRO 56 14.967 32.178 -13.456
390 HG2 PRO 56 1HG PRO 56 13.850 30.978 -15.786
391 HG3 PRO 56 2HG PRO 56 14.126 30.279 -14.336
392 HD2 PRO 56 1HD PRO 56 11.748 31.164 -14.923
393 HD3 PRO 56 2HD PRO 56 12.296 31.257 -13.387
394 H ARG 57 H ARG 57 12.638 32.991 -16.897
395 HA ARG 57 HA ARG 57 13.844 34.943 -18.533
396 HB2 ARG 57 1HB ARG 57 14.995 33.509 -20.028
397 HB3 ARG 57 2HB ARG 57 15.657 33.402 -18.539
398 HG2 ARG 57 1HG ARG 57 14.652 31.350 -18.169
399 HG3 ARG 57 2HG ARG 57 13.765 31.485 -19.534
400 HD2 ARG 57 1HD ARG 57 15.818 31.410 -20.793
401 HD3 ARG 57 2HD ARG 57 16.604 31.084 -19.399
402 HE ARG 57 HE ARG 57 15.875 28.923 -19.424
403 HH11 ARG 57 1HH1 ARG 57 14.077 30.795 -21.818
404 HH12 ARG 57 2HH1 ARG 57 13.344 29.377 -22.491
405 HH21 ARG 57 1HH2 ARG 57 14.892 27.175 -20.339
406 HH22 ARG 57 2HH2 ARG 57 13.797 27.366 -21.668
Start of MODEL 11
1 H1 GLY 1 1H GLY 1 7.551 -6.972 -5.670
2 H2 GLY 1 2H GLY 1 7.766 -5.517 -4.999
3 H3 GLY 1 3H GLY 1 8.551 -5.904 -6.358
4 HA2 GLY 1 1HA GLY 1 6.500 -5.975 -7.531
5 HA3 GLY 1 2HA GLY 1 5.707 -5.585 -6.158
6 H SER 2 H SER 2 4.923 -3.862 -7.815
7 HA SER 2 HA SER 2 6.582 -1.529 -7.382
8 HB2 SER 2 1HB SER 2 5.375 -2.156 -9.955
9 HB3 SER 2 2HB SER 2 6.206 -0.785 -9.641
10 HG SER 2 HG SER 2 7.154 -3.336 -9.894
11 HA PRO 3 HA PRO 3 2.679 -0.003 -6.252
12 HB2 PRO 3 1HB PRO 3 2.842 2.647 -6.513
13 HB3 PRO 3 2HB PRO 3 3.704 1.918 -5.332
14 HG2 PRO 3 1HG PRO 3 4.608 2.698 -7.925
15 HG3 PRO 3 2HG PRO 3 5.334 2.976 -6.489
16 HD2 PRO 3 1HD PRO 3 6.118 0.997 -7.972
17 HD3 PRO 3 2HD PRO 3 6.124 0.845 -6.346
18 H THR 4 H THR 4 0.686 0.057 -7.020
19 HA THR 4 HA THR 4 0.505 0.148 -9.827
20 HB THR 4 HB THR 4 -1.910 -0.396 -9.355
21 HG1 THR 4 HG1 THR 4 -2.603 -0.057 -7.447
22 HG21 THR 4 1HG2 THR 4 -1.449 -2.609 -8.516
23 HG22 THR 4 2HG2 THR 4 0.020 -2.137 -8.031
24 HG23 THR 4 3HG2 THR 4 -0.318 -2.233 -9.609
25 H PHE 5 H PHE 5 0.540 2.472 -7.664
26 HA PHE 5 HA PHE 5 -1.587 4.095 -8.325
27 HB2 PHE 5 1HB PHE 5 -0.209 4.347 -6.355
28 HB3 PHE 5 2HB PHE 5 1.033 4.832 -7.298
29 HD1 PHE 5 HD1 PHE 5 1.288 7.093 -7.942
30 HD2 PHE 5 HD2 PHE 5 -2.207 5.863 -6.061
31 HE1 PHE 5 HE1 PHE 5 0.721 9.394 -7.527
32 HE2 PHE 5 HE2 PHE 5 -2.827 8.173 -5.706
33 HZ PHE 5 HZ PHE 5 -1.342 9.942 -6.418
34 H CYS 6 H CYS 6 1.592 3.980 -9.692
35 HA CYS 6 HA CYS 6 0.930 6.072 -11.556
36 HB2 CYS 6 1HB CYS 6 2.951 6.321 -10.561
37 HB3 CYS 6 2HB CYS 6 3.343 4.758 -10.829
38 H GLN 7 H GLN 7 1.054 2.713 -11.436
39 HA GLN 7 HA GLN 7 1.506 2.220 -14.134
40 HB2 GLN 7 1HB GLN 7 0.273 0.728 -12.044
41 HB3 GLN 7 2HB GLN 7 0.403 0.117 -13.553
42 HG2 GLN 7 1HG GLN 7 2.775 0.258 -13.405
43 HG3 GLN 7 2HG GLN 7 2.643 0.866 -11.895
44 HE21 GLN 7 1HE2 GLN 7 2.715 -2.182 -10.347
45 HE22 GLN 7 2HE2 GLN 7 2.979 -0.472 -10.264
46 H GLY 8 H GLY 8 0.226 2.334 -15.917
47 HA2 GLY 8 1HA GLY 8 -1.753 2.497 -17.033
48 HA3 GLY 8 2HA GLY 8 -2.588 2.424 -15.631
49 H LYS 9 H LYS 9 -0.210 4.752 -15.552
50 HA LYS 9 HA LYS 9 -2.093 6.862 -16.218
51 HB2 LYS 9 1HB LYS 9 -0.356 6.681 -13.975
52 HB3 LYS 9 2HB LYS 9 -0.666 8.165 -14.584
53 HG2 LYS 9 1HG LYS 9 -2.244 7.961 -13.012
54 HG3 LYS 9 2HG LYS 9 -3.048 7.515 -14.362
55 HD2 LYS 9 1HD LYS 9 -2.873 5.288 -13.836
56 HD3 LYS 9 2HD LYS 9 -1.782 5.590 -12.659
57 HE2 LYS 9 1HE LYS 9 -3.491 6.640 -11.383
58 HE3 LYS 9 2HE LYS 9 -4.571 6.248 -12.543
59 HZ1 LYS 9 1HZ LYS 9 -4.579 4.586 -10.824
60 HZ2 LYS 9 2HZ LYS 9 -3.002 4.324 -11.066
61 HZ3 LYS 9 3HZ LYS 9 -4.072 3.936 -12.215
62 H ALA 10 H ALA 10 -1.058 8.885 -17.011
63 HA ALA 10 HA ALA 10 1.131 8.329 -18.716
64 HB1 ALA 10 1HB ALA 10 -0.499 9.904 -19.452
65 HB2 ALA 10 2HB ALA 10 0.927 10.659 -19.347
66 HB3 ALA 10 3HB ALA 10 -0.183 10.862 -18.189
67 H ASP 11 H ASP 11 3.320 9.045 -18.438
68 HA ASP 11 HA ASP 11 4.144 9.440 -15.810
69 HB2 ASP 11 1HB ASP 11 5.535 9.634 -18.303
70 HB3 ASP 11 2HB ASP 11 6.289 10.097 -16.931
71 H GLY 12 H GLY 12 4.949 11.366 -14.756
72 HA2 GLY 12 1HA GLY 12 5.297 13.811 -15.482
73 HA3 GLY 12 2HA GLY 12 3.692 13.741 -15.775
74 H LEU 13 H LEU 13 4.043 15.648 -14.103
75 HA LEU 13 HA LEU 13 4.040 14.553 -11.472
76 HB2 LEU 13 1HB LEU 13 4.077 17.330 -12.241
77 HB3 LEU 13 2HB LEU 13 4.138 16.830 -10.688
78 HG LEU 13 HG LEU 13 6.229 16.576 -12.634
79 HD11 LEU 13 1HD1 LEU 13 7.463 17.988 -11.083
80 HD12 LEU 13 2HD1 LEU 13 6.176 18.034 -10.106
81 HD13 LEU 13 3HD1 LEU 13 6.115 18.744 -11.557
82 HD21 LEU 13 1HD2 LEU 13 7.564 15.506 -10.973
83 HD22 LEU 13 2HD2 LEU 13 6.270 14.603 -11.327
84 HD23 LEU 13 3HD2 LEU 13 6.297 15.480 -9.968
85 H TYR 14 H TYR 14 2.360 14.587 -10.021
86 HA TYR 14 HA TYR 14 -0.173 15.626 -10.974
87 HB2 TYR 14 1HB TYR 14 0.296 13.126 -9.607
88 HB3 TYR 14 2HB TYR 14 -1.202 13.750 -9.790
89 HD1 TYR 14 HD1 TYR 14 1.515 12.229 -11.517
90 HD2 TYR 14 HD2 TYR 14 -2.394 13.562 -11.910
91 HE1 TYR 14 HE1 TYR 14 1.354 11.108 -13.650
92 HE2 TYR 14 HE2 TYR 14 -2.574 12.410 -14.033
93 HH TYR 14 HH TYR 14 -0.829 10.074 -15.061
94 HA PRO 15 HA PRO 15 -0.129 17.713 -7.190
95 HB2 PRO 15 1HB PRO 15 -2.696 18.098 -6.546
96 HB3 PRO 15 2HB PRO 15 -2.075 18.895 -7.829
97 HG2 PRO 15 1HG PRO 15 -3.544 16.448 -7.845
98 HG3 PRO 15 2HG PRO 15 -3.805 17.774 -8.762
99 HD2 PRO 15 1HD PRO 15 -2.460 15.800 -9.762
100 HD3 PRO 15 2HD PRO 15 -2.005 17.328 -10.118
101 H ASN 16 H ASN 16 -0.034 17.622 -5.051
102 HA ASN 16 HA ASN 16 -0.184 14.975 -4.051
103 HB2 ASN 16 1HB ASN 16 1.184 15.797 -2.311
104 HB3 ASN 16 2HB ASN 16 1.728 16.476 -3.693
105 HD21 ASN 16 1HD2 ASN 16 0.810 18.750 -0.737
106 HD22 ASN 16 2HD2 ASN 16 1.288 17.085 -0.688
107 HA PRO 17 HA PRO 17 -3.692 15.545 -1.802
108 HB2 PRO 17 1HB PRO 17 -3.652 13.688 0.156
109 HB3 PRO 17 2HB PRO 17 -3.488 13.146 -1.376
110 HG2 PRO 17 1HG PRO 17 -1.398 13.775 0.476
111 HG3 PRO 17 2HG PRO 17 -1.584 12.393 -0.375
112 HD2 PRO 17 1HD PRO 17 -0.007 14.278 -1.256
113 HD3 PRO 17 2HD PRO 17 -0.841 13.346 -2.306
114 H ARG 18 H ARG 18 -1.079 16.374 0.147
115 HA ARG 18 HA ARG 18 -2.851 17.704 1.916
116 HB2 ARG 18 1HB ARG 18 -2.489 15.460 2.867
117 HB3 ARG 18 2HB ARG 18 -0.880 15.740 2.863
118 HG2 ARG 18 1HG ARG 18 -1.357 17.503 4.523
119 HG3 ARG 18 2HG ARG 18 -2.821 16.797 4.679
120 HD2 ARG 18 1HD ARG 18 -0.316 15.429 5.138
121 HD3 ARG 18 2HD ARG 18 -1.287 15.976 6.331
122 HE ARG 18 HE ARG 18 -2.873 14.306 5.866
123 HH11 ARG 18 1HH1 ARG 18 -3.193 12.182 5.414
124 HH12 ARG 18 2HH1 ARG 18 -2.038 11.286 4.484
125 HH21 ARG 18 1HH2 ARG 18 0.142 13.906 4.054
126 HH22 ARG 18 2HH2 ARG 18 -0.193 12.238 3.731
127 H GLU 19 H GLU 19 0.490 17.153 1.334
128 HA GLU 19 HA GLU 19 1.338 19.147 3.084
129 HB2 GLU 19 1HB GLU 19 2.836 17.879 0.966
130 HB3 GLU 19 2HB GLU 19 3.512 18.729 2.186
131 HG2 GLU 19 1HG GLU 19 3.831 16.520 2.743
132 HG3 GLU 19 2HG GLU 19 2.619 17.033 3.711
133 H ARG 20 H ARG 20 2.917 20.996 2.324
134 HA ARG 20 HA ARG 20 1.379 22.463 0.480
135 HB2 ARG 20 1HB ARG 20 2.227 23.627 2.369
136 HB3 ARG 20 2HB ARG 20 3.758 23.225 1.968
137 HG2 ARG 20 1HG ARG 20 3.283 25.531 1.528
138 HG3 ARG 20 2HG ARG 20 3.738 24.731 0.179
139 HD2 ARG 20 1HD ARG 20 1.915 26.108 -0.352
140 HD3 ARG 20 2HD ARG 20 1.427 24.552 -0.449
141 HE ARG 20 HE ARG 20 0.887 25.696 2.078
142 HH11 ARG 20 1HH1 ARG 20 -0.424 25.257 -1.165
143 HH12 ARG 20 2HH1 ARG 20 -2.049 25.539 -0.637
144 HH21 ARG 20 1HH2 ARG 20 -1.216 26.043 2.670
145 HH22 ARG 20 2HH2 ARG 20 -2.489 25.976 1.496
146 H SER 21 H SER 21 4.661 21.331 0.445
147 HA SER 21 HA SER 21 4.834 22.275 -2.245
148 HB2 SER 21 1HB SER 21 7.126 21.875 -0.440
149 HB3 SER 21 2HB SER 21 7.194 22.711 -1.841
150 HG SER 21 HG SER 21 6.269 24.392 -0.983
151 H SER 22 H SER 22 4.112 19.510 -1.352
152 HA SER 22 HA SER 22 6.204 18.112 -2.736
153 HB2 SER 22 1HB SER 22 5.384 16.086 -1.765
154 HB3 SER 22 2HB SER 22 5.562 17.191 -0.575
155 HG SER 22 HG SER 22 3.168 16.852 -1.854
156 H PHE 23 H PHE 23 5.590 16.285 -4.225
157 HA PHE 23 HA PHE 23 3.034 16.664 -5.459
158 HB2 PHE 23 1HB PHE 23 4.103 16.527 -7.676
159 HB3 PHE 23 2HB PHE 23 4.333 17.942 -6.894
160 HD1 PHE 23 HD1 PHE 23 6.448 18.822 -6.745
161 HD2 PHE 23 HD2 PHE 23 6.030 14.742 -7.400
162 HE1 PHE 23 HE1 PHE 23 8.836 18.623 -7.001
163 HE2 PHE 23 HE2 PHE 23 8.420 14.528 -7.645
164 HZ PHE 23 HZ PHE 23 9.829 16.473 -7.436
165 H TYR 24 H TYR 24 2.600 14.861 -7.107
166 HA TYR 24 HA TYR 24 3.820 12.390 -6.233
167 HB2 TYR 24 1HB TYR 24 1.457 12.899 -7.771
168 HB3 TYR 24 2HB TYR 24 2.132 11.411 -7.748
169 HD1 TYR 24 HD1 TYR 24 2.595 10.658 -5.118
170 HD2 TYR 24 HD2 TYR 24 -0.489 13.043 -6.539
171 HE1 TYR 24 HE1 TYR 24 1.225 10.009 -3.234
172 HE2 TYR 24 HE2 TYR 24 -1.851 12.418 -4.648
173 HH TYR 24 HH TYR 24 -2.127 10.798 -2.986
174 H SER 25 H SER 25 5.300 11.412 -7.726
175 HA SER 25 HA SER 25 5.399 12.591 -10.367
176 HB2 SER 25 1HB SER 25 7.394 13.155 -9.183
177 HB3 SER 25 2HB SER 25 7.678 11.573 -8.891
178 HG SER 25 HG SER 25 8.903 11.981 -10.576
179 H CYS 26 H CYS 26 4.755 11.245 -11.907
180 HA CYS 26 HA CYS 26 4.888 8.379 -11.436
181 HB2 CYS 26 1HB CYS 26 2.815 9.317 -11.888
182 HB3 CYS 26 2HB CYS 26 3.398 9.921 -13.289
183 H ALA 27 H ALA 27 6.572 7.316 -12.382
184 HA ALA 27 HA ALA 27 7.527 8.260 -14.897
185 HB1 ALA 27 1HB ALA 27 8.915 9.491 -13.337
186 HB2 ALA 27 2HB ALA 27 9.838 8.429 -14.133
187 HB3 ALA 27 3HB ALA 27 9.357 8.109 -12.623
188 H ALA 28 H ALA 28 7.644 6.544 -16.221
189 HA ALA 28 HA ALA 28 7.804 4.441 -16.848
190 HB1 ALA 28 1HB ALA 28 10.185 4.781 -16.398
191 HB2 ALA 28 2HB ALA 28 9.815 3.220 -16.192
192 HB3 ALA 28 3HB ALA 28 9.987 4.187 -14.907
193 H GLY 29 H GLY 29 5.787 4.832 -14.978
194 HA2 GLY 29 1HA GLY 29 4.293 3.423 -14.006
195 HA3 GLY 29 2HA GLY 29 5.283 2.151 -14.271
196 H ARG 30 H ARG 30 7.052 4.393 -12.708
197 HA ARG 30 HA ARG 30 6.631 3.105 -10.167
198 HB2 ARG 30 1HB ARG 30 8.883 4.787 -10.812
199 HB3 ARG 30 2HB ARG 30 8.790 3.727 -9.573
200 HG2 ARG 30 1HG ARG 30 9.048 3.003 -12.340
201 HG3 ARG 30 2HG ARG 30 10.245 2.920 -11.231
202 HD2 ARG 30 1HD ARG 30 9.024 1.222 -10.070
203 HD3 ARG 30 2HD ARG 30 7.870 1.282 -11.224
204 HE ARG 30 HE ARG 30 9.202 0.152 -12.716
205 HH11 ARG 30 1HH1 ARG 30 10.918 -1.136 -13.216
206 HH12 ARG 30 2HH1 ARG 30 12.257 -1.293 -12.128
207 HH21 ARG 30 1HH2 ARG 30 10.992 0.859 -9.758
208 HH22 ARG 30 2HH2 ARG 30 12.300 -0.185 -10.206
209 H LEU 31 H LEU 31 6.380 4.366 -8.230
210 HA LEU 31 HA LEU 31 5.577 7.068 -8.781
211 HB2 LEU 31 1HB LEU 31 3.867 5.827 -7.739
212 HB3 LEU 31 2HB LEU 31 4.886 5.363 -6.550
213 HG LEU 31 HG LEU 31 4.922 7.637 -5.744
214 HD11 LEU 31 1HD1 LEU 31 3.373 9.237 -6.583
215 HD12 LEU 31 2HD1 LEU 31 2.914 8.203 -7.738
216 HD13 LEU 31 3HD1 LEU 31 4.414 8.807 -7.744
217 HD21 LEU 31 1HD2 LEU 31 2.736 7.571 -4.766
218 HD22 LEU 31 2HD2 LEU 31 3.400 6.097 -4.741
219 HD23 LEU 31 3HD2 LEU 31 2.280 6.461 -5.849
220 H PHE 32 H PHE 32 6.772 8.750 -8.041
221 HA PHE 32 HA PHE 32 8.420 8.247 -5.710
222 HB2 PHE 32 1HB PHE 32 8.997 10.099 -7.821
223 HB3 PHE 32 2HB PHE 32 9.846 10.013 -6.429
224 HD1 PHE 32 HD1 PHE 32 8.957 8.051 -9.319
225 HD2 PHE 32 HD2 PHE 32 11.709 8.565 -6.251
226 HE1 PHE 32 HE1 PHE 32 10.389 6.416 -10.352
227 HE2 PHE 32 HE2 PHE 32 13.154 6.909 -7.259
228 HZ PHE 32 HZ PHE 32 12.500 5.844 -9.328
229 H GLN 33 H GLN 33 7.824 9.583 -3.916
230 HA GLN 33 HA GLN 33 6.036 11.808 -4.532
231 HB2 GLN 33 1HB GLN 33 6.195 10.336 -2.090
232 HB3 GLN 33 2HB GLN 33 5.276 11.668 -2.302
233 HG2 GLN 33 1HG GLN 33 3.642 10.391 -2.974
234 HG3 GLN 33 2HG GLN 33 4.547 9.946 -4.259
235 HE21 GLN 33 1HE2 GLN 33 3.641 7.290 -1.515
236 HE22 GLN 33 2HE2 GLN 33 2.903 8.849 -1.673
237 H GLN 34 H GLN 34 7.262 13.634 -4.672
238 HA GLN 34 HA GLN 34 9.395 13.967 -2.765
239 HB2 GLN 34 1HB GLN 34 9.700 14.221 -5.621
240 HB3 GLN 34 2HB GLN 34 10.793 14.842 -4.578
241 HG2 GLN 34 1HG GLN 34 11.127 12.583 -3.742
242 HG3 GLN 34 2HG GLN 34 10.224 12.058 -4.998
243 HE21 GLN 34 1HE2 GLN 34 12.840 11.920 -7.218
244 HE22 GLN 34 2HE2 GLN 34 11.229 11.436 -6.807
245 H SER 35 H SER 35 10.357 16.335 -3.134
246 HA SER 35 HA SER 35 8.082 18.056 -3.430
247 HB2 SER 35 1HB SER 35 8.937 19.344 -1.496
248 HB3 SER 35 2HB SER 35 8.593 17.809 -1.059
249 HG SER 35 HG SER 35 10.537 18.154 -0.249
250 H CYS 36 H CYS 36 8.537 20.379 -3.655
251 HA CYS 36 HA CYS 36 10.865 20.849 -5.298
252 HB2 CYS 36 1HB CYS 36 8.533 22.389 -4.802
253 HB3 CYS 36 2HB CYS 36 9.803 22.963 -5.654
254 HA PRO 37 HA PRO 37 11.980 22.504 -1.326
255 HB2 PRO 37 1HB PRO 37 14.528 21.780 -1.095
256 HB3 PRO 37 2HB PRO 37 13.396 20.604 -1.049
257 HG2 PRO 37 1HG PRO 37 15.005 21.401 -3.272
258 HG3 PRO 37 2HG PRO 37 14.637 19.882 -2.795
259 HD2 PRO 37 1HD PRO 37 13.333 21.135 -4.747
260 HD3 PRO 37 2HD PRO 37 12.682 19.898 -3.903
261 H THR 38 H THR 38 15.130 23.088 -2.530
262 HA THR 38 HA THR 38 14.866 25.679 -1.600
263 HB THR 38 HB THR 38 17.237 25.744 -2.716
264 HG1 THR 38 HG1 THR 38 17.090 23.035 -2.540
265 HG21 THR 38 1HG2 THR 38 18.175 24.560 -0.859
266 HG22 THR 38 2HG2 THR 38 16.733 23.910 -0.524
267 HG23 THR 38 3HG2 THR 38 16.973 25.496 -0.320
268 H GLY 39 H GLY 39 13.927 27.346 -2.550
269 HA2 GLY 39 1HA GLY 39 13.723 28.916 -4.157
270 HA3 GLY 39 2HA GLY 39 14.926 28.214 -5.009
271 H LEU 40 H LEU 40 12.389 26.121 -4.335
272 HA LEU 40 HA LEU 40 11.435 26.461 -7.024
273 HB2 LEU 40 1HB LEU 40 12.038 23.956 -5.689
274 HB3 LEU 40 2HB LEU 40 11.273 24.005 -7.131
275 HG LEU 40 HG LEU 40 13.941 25.010 -6.869
276 HD11 LEU 40 1HD1 LEU 40 14.753 22.847 -7.577
277 HD12 LEU 40 2HD1 LEU 40 13.249 22.258 -7.505
278 HD13 LEU 40 3HD1 LEU 40 14.006 22.712 -6.150
279 HD21 LEU 40 1HD2 LEU 40 14.059 24.608 -9.220
280 HD22 LEU 40 2HD2 LEU 40 12.832 25.607 -8.886
281 HD23 LEU 40 3HD2 LEU 40 12.542 24.049 -9.206
282 H VAL 41 H VAL 41 9.328 25.779 -7.586
283 HA VAL 41 HA VAL 41 7.583 25.183 -5.404
284 HB VAL 41 HB VAL 41 5.889 26.754 -6.274
285 HG11 VAL 41 1HG1 VAL 41 6.876 28.757 -5.368
286 HG12 VAL 41 2HG1 VAL 41 8.335 28.063 -5.416
287 HG13 VAL 41 3HG1 VAL 41 7.203 27.495 -4.411
288 HG21 VAL 41 1HG2 VAL 41 6.553 28.455 -7.849
289 HG22 VAL 41 2HG2 VAL 41 6.685 26.993 -8.528
290 HG23 VAL 41 3HG2 VAL 41 8.005 27.759 -7.996
291 H PHE 42 H PHE 42 5.452 24.195 -6.172
292 HA PHE 42 HA PHE 42 5.862 22.774 -8.630
293 HB2 PHE 42 1HB PHE 42 5.087 21.451 -6.858
294 HB3 PHE 42 2HB PHE 42 3.805 22.439 -6.635
295 HD1 PHE 42 HD1 PHE 42 5.156 20.696 -9.551
296 HD2 PHE 42 HD2 PHE 42 1.794 21.401 -7.203
297 HE1 PHE 42 HE1 PHE 42 3.826 19.379 -11.069
298 HE2 PHE 42 HE2 PHE 42 0.464 20.040 -8.690
299 HZ PHE 42 HZ PHE 42 1.479 19.029 -10.632
300 H SER 43 H SER 43 4.829 23.236 -10.541
301 HA SER 43 HA SER 43 2.870 25.355 -10.439
302 HB2 SER 43 1HB SER 43 4.805 25.982 -11.702
303 HB3 SER 43 2HB SER 43 4.617 24.674 -12.662
304 HG SER 43 HG SER 43 3.737 26.227 -13.805
305 H ASN 44 H ASN 44 0.891 24.451 -10.363
306 HA ASN 44 HA ASN 44 0.385 21.989 -11.414
307 HB2 ASN 44 1HB ASN 44 -1.504 24.082 -10.641
308 HB3 ASN 44 2HB ASN 44 -2.017 22.572 -10.995
309 HD21 ASN 44 1HD2 ASN 44 -1.753 21.488 -7.770
310 HD22 ASN 44 2HD2 ASN 44 -2.542 21.383 -9.308
311 H SER 45 H SER 45 0.409 24.924 -13.045
312 HA SER 45 HA SER 45 -1.472 24.282 -14.994
313 HB2 SER 45 1HB SER 45 -0.315 26.171 -16.220
314 HB3 SER 45 2HB SER 45 -0.979 26.562 -14.780
315 HG SER 45 HG SER 45 1.567 25.660 -14.711
316 H CYS 46 H CYS 46 2.025 24.216 -15.050
317 HA CYS 46 HA CYS 46 1.920 22.783 -17.526
318 HB2 CYS 46 1HB CYS 46 4.106 23.419 -17.883
319 HB3 CYS 46 2HB CYS 46 3.237 24.731 -17.444
320 H LYS 47 H LYS 47 2.095 22.034 -14.441
321 HA LYS 47 HA LYS 47 2.546 20.144 -13.346
322 HB2 LYS 47 1HB LYS 47 2.720 18.918 -15.930
323 HB3 LYS 47 2HB LYS 47 2.975 18.043 -14.575
324 HG2 LYS 47 1HG LYS 47 0.740 17.753 -15.376
325 HG3 LYS 47 2HG LYS 47 0.735 18.421 -13.886
326 HD2 LYS 47 1HD LYS 47 0.220 20.473 -14.704
327 HD3 LYS 47 2HD LYS 47 0.559 20.021 -16.236
328 HE2 LYS 47 1HE LYS 47 -1.383 18.741 -16.338
329 HE3 LYS 47 2HE LYS 47 -1.691 19.022 -14.759
330 HZ1 LYS 47 1HZ LYS 47 -2.974 20.516 -16.120
331 HZ2 LYS 47 2HZ LYS 47 -1.614 21.078 -16.790
332 HZ3 LYS 47 3HZ LYS 47 -1.919 21.356 -15.227
333 H CYS 48 H CYS 48 4.504 22.064 -13.751
334 HA CYS 48 HA CYS 48 6.907 20.541 -13.950
335 HB2 CYS 48 1HB CYS 48 6.816 23.398 -13.796
336 HB3 CYS 48 2HB CYS 48 8.018 22.496 -14.434
337 H CYS 49 H CYS 49 8.636 20.735 -12.371
338 HA CYS 49 HA CYS 49 7.978 22.157 -9.899
339 HB2 CYS 49 1HB CYS 49 8.815 20.016 -9.699
340 HB3 CYS 49 2HB CYS 49 10.174 20.494 -10.469
341 H THR 50 H THR 50 8.769 24.340 -9.935
342 HA THR 50 HA THR 50 10.852 24.942 -11.808
343 HB THR 50 HB THR 50 8.742 25.270 -13.039
344 HG1 THR 50 HG1 THR 50 9.886 26.586 -14.095
345 HG21 THR 50 1HG2 THR 50 7.316 27.094 -12.424
346 HG22 THR 50 2HG2 THR 50 8.239 27.405 -11.134
347 HG23 THR 50 3HG2 THR 50 7.371 26.043 -11.196
348 H TRP 51 H TRP 51 11.573 27.311 -11.678
349 HA TRP 51 HA TRP 51 12.211 27.795 -9.051
350 HB2 TRP 51 1HB TRP 51 12.432 29.575 -11.324
351 HB3 TRP 51 2HB TRP 51 13.137 29.892 -9.886
352 HD1 TRP 51 HD1 TRP 51 14.829 27.694 -9.104
353 HE1 TRP 51 HE1 TRP 51 16.609 26.518 -10.419
354 HE3 TRP 51 HE3 TRP 51 13.274 29.098 -13.645
355 HZ2 TRP 51 HZ2 TRP 51 17.205 26.278 -13.164
356 HZ3 TRP 51 HZ3 TRP 51 14.527 28.369 -15.590
357 HH2 TRP 51 HH2 TRP 51 16.474 26.962 -15.333
358 H ASN 52 H ASN 52 11.748 29.440 -7.575
359 HA ASN 52 HA ASN 52 9.051 29.880 -7.407
360 HB2 ASN 52 1HB ASN 52 9.558 30.893 -5.287
361 HB3 ASN 52 2HB ASN 52 10.674 29.720 -5.500
362 HD21 ASN 52 1HD2 ASN 52 11.909 33.327 -4.764
363 HD22 ASN 52 2HD2 ASN 52 10.353 32.665 -4.386
364 H GLY 53 H GLY 53 10.913 31.580 -9.371
365 HA2 GLY 53 1HA GLY 53 10.380 33.489 -10.474
366 HA3 GLY 53 2HA GLY 53 9.018 33.640 -9.586
367 H LEU 54 H LEU 54 12.247 33.523 -8.333
368 HA LEU 54 HA LEU 54 11.918 35.720 -6.729
369 HB2 LEU 54 1HB LEU 54 13.639 34.026 -6.457
370 HB3 LEU 54 2HB LEU 54 14.454 34.710 -7.696
371 HG LEU 54 HG LEU 54 13.923 36.448 -5.546
372 HD11 LEU 54 1HD1 LEU 54 15.672 35.533 -4.163
373 HD12 LEU 54 2HD1 LEU 54 15.836 34.295 -5.191
374 HD13 LEU 54 3HD1 LEU 54 14.477 34.456 -4.329
375 HD21 LEU 54 1HD2 LEU 54 16.144 37.211 -5.966
376 HD22 LEU 54 2HD2 LEU 54 15.289 37.200 -7.338
377 HD23 LEU 54 3HD2 LEU 54 16.357 36.022 -7.041
378 H VAL 55 H VAL 55 11.914 37.861 -6.998
379 HA VAL 55 HA VAL 55 13.226 38.939 -9.355
380 HB VAL 55 HB VAL 55 10.907 40.068 -8.038
381 HG11 VAL 55 1HG1 VAL 55 10.925 41.757 -9.746
382 HG12 VAL 55 2HG1 VAL 55 12.294 41.141 -10.347
383 HG13 VAL 55 3HG1 VAL 55 12.291 41.827 -8.883
384 HG21 VAL 55 1HG2 VAL 55 9.730 39.566 -10.091
385 HG22 VAL 55 2HG2 VAL 55 10.305 38.202 -9.441
386 HG23 VAL 55 3HG2 VAL 55 11.067 38.885 -10.693
387 HA PRO 56 HA PRO 56 15.424 40.420 -5.900
388 HB2 PRO 56 1HB PRO 56 17.658 41.420 -6.991
389 HB3 PRO 56 2HB PRO 56 17.433 39.804 -7.043
390 HG2 PRO 56 1HG PRO 56 16.852 41.713 -9.082
391 HG3 PRO 56 2HG PRO 56 17.652 40.298 -9.237
392 HD2 PRO 56 1HD PRO 56 15.109 40.459 -9.842
393 HD3 PRO 56 2HD PRO 56 15.728 39.076 -9.231
394 H ARG 57 H ARG 57 14.621 42.596 -8.339
395 HA ARG 57 HA ARG 57 14.020 44.672 -6.578
396 HB2 ARG 57 1HB ARG 57 15.618 46.290 -7.260
397 HB3 ARG 57 2HB ARG 57 16.342 45.058 -6.469
398 HG2 ARG 57 1HG ARG 57 17.064 44.155 -8.542
399 HG3 ARG 57 2HG ARG 57 16.346 45.393 -9.329
400 HD2 ARG 57 1HD ARG 57 18.514 45.709 -7.459
401 HD3 ARG 57 2HD ARG 57 18.680 45.791 -9.082
402 HE ARG 57 HE ARG 57 16.786 47.649 -8.465
403 HH11 ARG 57 1HH1 ARG 57 17.203 49.790 -8.176
404 HH12 ARG 57 2HH1 ARG 57 18.800 50.338 -7.793
405 HH21 ARG 57 1HH2 ARG 57 20.203 47.193 -7.760
406 HH22 ARG 57 2HH2 ARG 57 20.474 48.892 -7.562
Start of MODEL 12
1 H1 GLY 1 1H GLY 1 2.476 6.570 -1.435
2 H2 GLY 1 2H GLY 1 2.283 5.013 -1.043
3 H3 GLY 1 3H GLY 1 1.180 6.103 -0.587
4 HA2 GLY 1 1HA GLY 1 0.592 6.465 -2.841
5 HA3 GLY 1 2HA GLY 1 1.707 5.363 -3.303
6 H SER 2 H SER 2 -0.284 4.440 -4.412
7 HA SER 2 HA SER 2 -1.368 2.407 -2.695
8 HB2 SER 2 1HB SER 2 -3.647 2.890 -3.323
9 HB3 SER 2 2HB SER 2 -3.015 4.193 -2.568
10 HG SER 2 HG SER 2 -3.437 3.842 -5.260
11 HA PRO 3 HA PRO 3 -1.103 0.250 -6.557
12 HB2 PRO 3 1HB PRO 3 -3.772 -0.827 -6.215
13 HB3 PRO 3 2HB PRO 3 -2.409 -1.686 -6.483
14 HG2 PRO 3 1HG PRO 3 -3.418 -1.751 -4.167
15 HG3 PRO 3 2HG PRO 3 -1.796 -1.602 -4.289
16 HD2 PRO 3 1HD PRO 3 -3.705 0.496 -3.823
17 HD3 PRO 3 2HD PRO 3 -2.311 0.230 -3.015
18 H THR 4 H THR 4 -1.720 0.386 -8.721
19 HA THR 4 HA THR 4 -2.499 1.435 -10.418
20 HB THR 4 HB THR 4 -5.103 2.142 -9.319
21 HG1 THR 4 HG1 THR 4 -4.765 0.300 -8.192
22 HG21 THR 4 1HG2 THR 4 -5.941 1.096 -11.311
23 HG22 THR 4 2HG2 THR 4 -4.454 0.586 -11.691
24 HG23 THR 4 3HG2 THR 4 -4.804 2.164 -11.735
25 H PHE 5 H PHE 5 -1.773 3.249 -7.957
26 HA PHE 5 HA PHE 5 -2.923 5.678 -8.491
27 HB2 PHE 5 1HB PHE 5 -1.671 5.072 -6.476
28 HB3 PHE 5 2HB PHE 5 -0.293 5.253 -7.334
29 HD1 PHE 5 HD1 PHE 5 0.621 7.450 -7.793
30 HD2 PHE 5 HD2 PHE 5 -2.985 7.016 -5.775
31 HE1 PHE 5 HE1 PHE 5 0.759 9.742 -7.082
32 HE2 PHE 5 HE2 PHE 5 -2.912 9.338 -5.127
33 HZ PHE 5 HZ PHE 5 -1.025 10.699 -5.764
34 H CYS 6 H CYS 6 -0.019 4.343 -9.805
35 HA CYS 6 HA CYS 6 0.199 6.665 -11.486
36 HB2 CYS 6 1HB CYS 6 2.052 5.283 -10.068
37 HB3 CYS 6 2HB CYS 6 2.443 5.134 -11.647
38 H GLN 7 H GLN 7 -0.946 3.678 -11.664
39 HA GLN 7 HA GLN 7 0.118 2.867 -14.134
40 HB2 GLN 7 1HB GLN 7 -2.015 1.949 -12.476
41 HB3 GLN 7 2HB GLN 7 -1.765 1.278 -13.943
42 HG2 GLN 7 1HG GLN 7 0.317 0.476 -13.294
43 HG3 GLN 7 2HG GLN 7 0.251 1.310 -11.891
44 HE21 GLN 7 1HE2 GLN 7 -1.764 -2.166 -12.240
45 HE22 GLN 7 2HE2 GLN 7 -1.308 -1.255 -13.641
46 H GLY 8 H GLY 8 -0.470 3.457 -16.157
47 HA2 GLY 8 1HA GLY 8 -1.880 4.245 -17.753
48 HA3 GLY 8 2HA GLY 8 -3.117 4.268 -16.687
49 H LYS 9 H LYS 9 -0.424 5.896 -15.569
50 HA LYS 9 HA LYS 9 -1.670 8.418 -16.160
51 HB2 LYS 9 1HB LYS 9 -0.180 7.555 -13.939
52 HB3 LYS 9 2HB LYS 9 0.114 9.094 -14.400
53 HG2 LYS 9 1HG LYS 9 -1.546 9.216 -12.837
54 HG3 LYS 9 2HG LYS 9 -2.268 9.479 -14.278
55 HD2 LYS 9 1HD LYS 9 -3.061 7.261 -14.323
56 HD3 LYS 9 2HD LYS 9 -2.263 6.924 -12.938
57 HE2 LYS 9 1HE LYS 9 -4.482 8.744 -13.157
58 HE3 LYS 9 2HE LYS 9 -4.555 7.257 -12.487
59 HZ1 LYS 9 1HZ LYS 9 -4.424 8.907 -10.800
60 HZ2 LYS 9 2HZ LYS 9 -3.031 9.447 -11.419
61 HZ3 LYS 9 3HZ LYS 9 -3.104 7.974 -10.756
62 H ALA 10 H ALA 10 -0.535 10.129 -17.067
63 HA ALA 10 HA ALA 10 1.643 9.432 -18.696
64 HB1 ALA 10 1HB ALA 10 0.128 11.141 -19.431
65 HB2 ALA 10 2HB ALA 10 1.609 11.781 -19.332
66 HB3 ALA 10 3HB ALA 10 0.525 12.069 -18.168
67 H ASP 11 H ASP 11 3.844 10.249 -18.534
68 HA ASP 11 HA ASP 11 4.816 10.331 -15.926
69 HB2 ASP 11 1HB ASP 11 6.111 10.947 -18.417
70 HB3 ASP 11 2HB ASP 11 6.916 11.039 -17.000
71 H GLY 12 H GLY 12 5.722 12.083 -14.697
72 HA2 GLY 12 1HA GLY 12 6.086 14.555 -14.933
73 HA3 GLY 12 2HA GLY 12 4.524 14.618 -15.403
74 H LEU 13 H LEU 13 4.644 16.226 -13.472
75 HA LEU 13 HA LEU 13 4.471 14.791 -11.027
76 HB2 LEU 13 1HB LEU 13 4.527 17.654 -11.400
77 HB3 LEU 13 2HB LEU 13 4.609 16.925 -9.941
78 HG LEU 13 HG LEU 13 6.695 16.995 -11.905
79 HD11 LEU 13 1HD1 LEU 13 7.830 18.256 -10.157
80 HD12 LEU 13 2HD1 LEU 13 6.533 18.094 -9.205
81 HD13 LEU 13 3HD1 LEU 13 6.445 18.995 -10.545
82 HD21 LEU 13 1HD2 LEU 13 8.076 15.803 -10.421
83 HD22 LEU 13 2HD2 LEU 13 6.819 14.895 -10.879
84 HD23 LEU 13 3HD2 LEU 13 6.827 15.586 -9.417
85 H TYR 14 H TYR 14 2.800 14.897 -9.523
86 HA TYR 14 HA TYR 14 0.316 16.048 -10.457
87 HB2 TYR 14 1HB TYR 14 0.629 13.443 -9.252
88 HB3 TYR 14 2HB TYR 14 -0.828 14.148 -9.468
89 HD1 TYR 14 HD1 TYR 14 1.915 12.631 -11.167
90 HD2 TYR 14 HD2 TYR 14 -1.904 14.177 -11.673
91 HE1 TYR 14 HE1 TYR 14 1.850 11.714 -13.392
92 HE2 TYR 14 HE2 TYR 14 -1.982 13.242 -13.903
93 HH TYR 14 HH TYR 14 -0.208 10.929 -15.049
94 HA PRO 15 HA PRO 15 0.537 17.889 -6.581
95 HB2 PRO 15 1HB PRO 15 -1.955 18.726 -6.066
96 HB3 PRO 15 2HB PRO 15 -1.151 19.408 -7.314
97 HG2 PRO 15 1HG PRO 15 -3.017 17.246 -7.419
98 HG3 PRO 15 2HG PRO 15 -3.007 18.598 -8.335
99 HD2 PRO 15 1HD PRO 15 -1.972 16.405 -9.276
100 HD3 PRO 15 2HD PRO 15 -1.279 17.840 -9.637
101 H ASN 16 H ASN 16 0.454 17.748 -4.396
102 HA ASN 16 HA ASN 16 -0.603 15.249 -3.462
103 HB2 ASN 16 1HB ASN 16 1.668 15.963 -2.917
104 HB3 ASN 16 2HB ASN 16 1.008 17.109 -1.959
105 HD21 ASN 16 1HD2 ASN 16 1.968 14.056 -0.066
106 HD22 ASN 16 2HD2 ASN 16 2.801 15.030 -1.231
107 HA PRO 17 HA PRO 17 -3.883 17.712 -1.909
108 HB2 PRO 17 1HB PRO 17 -5.543 15.885 -0.879
109 HB3 PRO 17 2HB PRO 17 -5.410 15.967 -2.505
110 HG2 PRO 17 1HG PRO 17 -4.016 14.211 -0.734
111 HG3 PRO 17 2HG PRO 17 -4.851 13.810 -2.079
112 HD2 PRO 17 1HD PRO 17 -2.279 14.099 -2.225
113 HD3 PRO 17 2HD PRO 17 -3.209 14.597 -3.471
114 H ARG 18 H ARG 18 -2.002 15.684 -0.041
115 HA ARG 18 HA ARG 18 -3.010 16.700 2.408
116 HB2 ARG 18 1HB ARG 18 -2.272 14.376 2.164
117 HB3 ARG 18 2HB ARG 18 -0.744 14.923 1.979
118 HG2 ARG 18 1HG ARG 18 -1.005 15.840 4.258
119 HG3 ARG 18 2HG ARG 18 -2.283 14.830 4.375
120 HD2 ARG 18 1HD ARG 18 -0.885 12.974 3.965
121 HD3 ARG 18 2HD ARG 18 0.398 13.965 3.766
122 HE ARG 18 HE ARG 18 0.560 14.326 6.042
123 HH11 ARG 18 1HH1 ARG 18 -2.102 12.154 5.249
124 HH12 ARG 18 2HH1 ARG 18 -2.285 11.644 6.894
125 HH21 ARG 18 1HH2 ARG 18 0.271 13.621 8.110
126 HH22 ARG 18 2HH2 ARG 18 -0.961 12.464 8.486
127 H GLU 19 H GLU 19 -0.262 17.150 0.409
128 HA GLU 19 HA GLU 19 0.870 18.793 2.447
129 HB2 GLU 19 1HB GLU 19 2.287 17.294 0.405
130 HB3 GLU 19 2HB GLU 19 3.055 18.242 1.491
131 HG2 GLU 19 1HG GLU 19 1.608 15.847 2.143
132 HG3 GLU 19 2HG GLU 19 3.236 15.968 2.092
133 H ARG 20 H ARG 20 2.052 20.664 2.051
134 HA ARG 20 HA ARG 20 1.123 22.084 -0.214
135 HB2 ARG 20 1HB ARG 20 1.691 22.864 2.190
136 HB3 ARG 20 2HB ARG 20 3.156 23.147 1.526
137 HG2 ARG 20 1HG ARG 20 0.745 24.368 0.607
138 HG3 ARG 20 2HG ARG 20 1.774 25.078 1.659
139 HD2 ARG 20 1HD ARG 20 3.470 25.063 -0.053
140 HD3 ARG 20 2HD ARG 20 2.368 24.465 -1.100
141 HE ARG 20 HE ARG 20 1.371 26.805 0.024
142 HH11 ARG 20 1HH1 ARG 20 3.738 25.789 -2.376
143 HH12 ARG 20 2HH1 ARG 20 3.632 27.288 -3.237
144 HH21 ARG 20 1HH2 ARG 20 1.286 28.681 -1.127
145 HH22 ARG 20 2HH2 ARG 20 2.264 28.900 -2.539
146 H SER 21 H SER 21 4.265 21.318 0.971
147 HA SER 21 HA SER 21 5.350 22.123 -1.525
148 HB2 SER 21 1HB SER 21 6.846 21.580 0.951
149 HB3 SER 21 2HB SER 21 7.431 22.445 -0.305
150 HG SER 21 HG SER 21 6.805 24.031 0.894
151 H SER 22 H SER 22 4.255 19.385 -1.096
152 HA SER 22 HA SER 22 6.520 18.113 -2.339
153 HB2 SER 22 1HB SER 22 6.303 16.099 -1.196
154 HB3 SER 22 2HB SER 22 6.334 17.266 -0.054
155 HG SER 22 HG SER 22 4.004 17.180 -0.180
156 H PHE 23 H PHE 23 5.974 16.207 -3.671
157 HA PHE 23 HA PHE 23 3.344 16.469 -4.754
158 HB2 PHE 23 1HB PHE 23 4.377 16.576 -7.023
159 HB3 PHE 23 2HB PHE 23 4.643 17.918 -6.130
160 HD1 PHE 23 HD1 PHE 23 6.778 18.746 -5.909
161 HD2 PHE 23 HD2 PHE 23 6.281 14.769 -6.983
162 HE1 PHE 23 HE1 PHE 23 9.164 18.537 -6.190
163 HE2 PHE 23 HE2 PHE 23 8.656 14.550 -7.306
164 HZ PHE 23 HZ PHE 23 10.105 16.442 -6.919
165 H TYR 24 H TYR 24 2.954 14.867 -6.580
166 HA TYR 24 HA TYR 24 4.236 12.345 -5.980
167 HB2 TYR 24 1HB TYR 24 1.809 12.858 -7.435
168 HB3 TYR 24 2HB TYR 24 2.461 11.371 -7.260
169 HD1 TYR 24 HD1 TYR 24 2.712 10.482 -4.853
170 HD2 TYR 24 HD2 TYR 24 0.204 13.620 -5.889
171 HE1 TYR 24 HE1 TYR 24 1.466 10.160 -2.810
172 HE2 TYR 24 HE2 TYR 24 -1.065 13.272 -3.870
173 HH TYR 24 HH TYR 24 -1.550 11.586 -2.205
174 H SER 25 H SER 25 5.386 11.324 -7.712
175 HA SER 25 HA SER 25 5.514 12.814 -10.191
176 HB2 SER 25 1HB SER 25 7.541 13.266 -9.037
177 HB3 SER 25 2HB SER 25 7.803 11.667 -8.833
178 HG SER 25 HG SER 25 9.015 12.184 -10.509
179 H CYS 26 H CYS 26 5.432 11.547 -12.034
180 HA CYS 26 HA CYS 26 5.277 8.695 -11.577
181 HB2 CYS 26 1HB CYS 26 3.298 10.108 -12.300
182 HB3 CYS 26 2HB CYS 26 3.953 9.839 -13.772
183 H ALA 27 H ALA 27 6.624 7.422 -12.769
184 HA ALA 27 HA ALA 27 7.778 8.494 -15.153
185 HB1 ALA 27 1HB ALA 27 9.379 9.182 -13.461
186 HB2 ALA 27 2HB ALA 27 10.068 8.062 -14.402
187 HB3 ALA 27 3HB ALA 27 9.505 7.655 -12.943
188 H ALA 28 H ALA 28 7.275 6.975 -16.631
189 HA ALA 28 HA ALA 28 6.882 4.960 -17.481
190 HB1 ALA 28 1HB ALA 28 9.290 4.691 -17.344
191 HB2 ALA 28 2HB ALA 28 8.579 3.246 -17.190
192 HB3 ALA 28 3HB ALA 28 9.138 4.016 -15.882
193 H GLY 29 H GLY 29 5.247 5.653 -15.341
194 HA2 GLY 29 1HA GLY 29 3.571 4.572 -14.260
195 HA3 GLY 29 2HA GLY 29 4.190 3.123 -14.691
196 H ARG 30 H ARG 30 6.733 4.444 -13.297
197 HA ARG 30 HA ARG 30 6.246 3.192 -10.790
198 HB2 ARG 30 1HB ARG 30 8.586 4.666 -11.588
199 HB3 ARG 30 2HB ARG 30 8.482 3.728 -10.255
200 HG2 ARG 30 1HG ARG 30 8.393 2.720 -12.959
201 HG3 ARG 30 2HG ARG 30 9.698 2.621 -11.981
202 HD2 ARG 30 1HD ARG 30 8.473 1.199 -10.501
203 HD3 ARG 30 2HD ARG 30 7.178 1.290 -11.491
204 HE ARG 30 HE ARG 30 8.135 -0.160 -12.996
205 HH11 ARG 30 1HH1 ARG 30 9.541 -1.798 -13.485
206 HH12 ARG 30 2HH1 ARG 30 10.974 -2.042 -12.544
207 HH21 ARG 30 1HH2 ARG 30 10.383 0.573 -10.384
208 HH22 ARG 30 2HH2 ARG 30 11.442 -0.725 -10.821
209 H LEU 31 H LEU 31 6.207 4.266 -8.733
210 HA LEU 31 HA LEU 31 5.325 6.994 -8.984
211 HB2 LEU 31 1HB LEU 31 4.103 5.014 -7.827
212 HB3 LEU 31 2HB LEU 31 4.961 5.557 -6.547
213 HG LEU 31 HG LEU 31 2.822 6.908 -7.872
214 HD11 LEU 31 1HD1 LEU 31 1.846 6.762 -5.596
215 HD12 LEU 31 2HD1 LEU 31 3.202 6.048 -5.079
216 HD13 LEU 31 3HD1 LEU 31 2.229 5.280 -6.117
217 HD21 LEU 31 1HD2 LEU 31 3.035 8.766 -6.444
218 HD22 LEU 31 2HD2 LEU 31 4.324 8.624 -7.411
219 HD23 LEU 31 3HD2 LEU 31 4.420 8.167 -5.863
220 H PHE 32 H PHE 32 6.511 8.666 -8.176
221 HA PHE 32 HA PHE 32 8.357 8.041 -6.042
222 HB2 PHE 32 1HB PHE 32 8.723 9.864 -8.234
223 HB3 PHE 32 2HB PHE 32 9.598 10.039 -6.865
224 HD1 PHE 32 HD1 PHE 32 8.975 7.760 -9.590
225 HD2 PHE 32 HD2 PHE 32 11.556 8.760 -6.494
226 HE1 PHE 32 HE1 PHE 32 10.585 6.173 -10.432
227 HE2 PHE 32 HE2 PHE 32 13.183 7.183 -7.328
228 HZ PHE 32 HZ PHE 32 12.699 5.884 -9.297
229 H GLN 33 H GLN 33 8.184 9.307 -4.160
230 HA GLN 33 HA GLN 33 6.337 11.556 -4.304
231 HB2 GLN 33 1HB GLN 33 6.712 9.757 -2.108
232 HB3 GLN 33 2HB GLN 33 5.893 11.163 -1.970
233 HG2 GLN 33 1HG GLN 33 4.323 10.375 -3.608
234 HG3 GLN 33 2HG GLN 33 5.118 8.949 -3.654
235 HE21 GLN 33 1HE2 GLN 33 3.297 9.683 -0.128
236 HE22 GLN 33 2HE2 GLN 33 4.339 10.858 -0.860
237 H GLN 34 H GLN 34 7.524 13.452 -4.270
238 HA GLN 34 HA GLN 34 9.832 13.570 -2.553
239 HB2 GLN 34 1HB GLN 34 9.892 14.075 -5.393
240 HB3 GLN 34 2HB GLN 34 11.079 14.609 -4.407
241 HG2 GLN 34 1HG GLN 34 11.748 12.424 -3.936
242 HG3 GLN 34 2HG GLN 34 10.463 11.814 -4.739
243 HE21 GLN 34 1HE2 GLN 34 13.836 12.447 -6.663
244 HE22 GLN 34 2HE2 GLN 34 13.664 12.544 -4.942
245 H SER 35 H SER 35 10.764 15.880 -2.446
246 HA SER 35 HA SER 35 8.501 17.634 -2.409
247 HB2 SER 35 1HB SER 35 9.684 18.787 -0.542
248 HB3 SER 35 2HB SER 35 9.317 17.238 -0.180
249 HG SER 35 HG SER 35 11.381 17.506 0.388
250 H CYS 36 H CYS 36 8.742 19.929 -2.658
251 HA CYS 36 HA CYS 36 11.040 20.707 -4.272
252 HB2 CYS 36 1HB CYS 36 8.405 20.870 -4.851
253 HB3 CYS 36 2HB CYS 36 9.028 22.377 -4.756
254 HA PRO 37 HA PRO 37 10.705 22.982 -0.472
255 HB2 PRO 37 1HB PRO 37 13.254 23.036 0.389
256 HB3 PRO 37 2HB PRO 37 12.440 21.622 0.461
257 HG2 PRO 37 1HG PRO 37 14.264 22.489 -1.562
258 HG3 PRO 37 2HG PRO 37 14.197 21.027 -0.837
259 HD2 PRO 37 1HD PRO 37 13.109 21.437 -3.199
260 HD3 PRO 37 2HD PRO 37 12.512 20.316 -2.173
261 H THR 38 H THR 38 13.808 24.254 -1.336
262 HA THR 38 HA THR 38 12.774 26.728 -0.619
263 HB THR 38 HB THR 38 15.229 27.328 -1.384
264 HG1 THR 38 HG1 THR 38 14.987 24.643 -1.667
265 HG21 THR 38 1HG2 THR 38 16.078 26.562 0.732
266 HG22 THR 38 2HG2 THR 38 14.789 25.604 0.920
267 HG23 THR 38 3HG2 THR 38 14.616 27.211 0.969
268 H GLY 39 H GLY 39 11.655 28.111 -1.803
269 HA2 GLY 39 1HA GLY 39 11.362 29.555 -3.506
270 HA3 GLY 39 2HA GLY 39 12.813 29.136 -4.127
271 H LEU 40 H LEU 40 11.099 26.398 -3.867
272 HA LEU 40 HA LEU 40 10.483 26.467 -6.673
273 HB2 LEU 40 1HB LEU 40 10.960 24.224 -4.917
274 HB3 LEU 40 2HB LEU 40 10.570 24.043 -6.493
275 HG LEU 40 HG LEU 40 13.004 25.297 -5.631
276 HD11 LEU 40 1HD1 LEU 40 14.111 23.225 -6.168
277 HD12 LEU 40 2HD1 LEU 40 12.678 22.541 -6.474
278 HD13 LEU 40 3HD1 LEU 40 13.051 22.996 -4.968
279 HD21 LEU 40 1HD2 LEU 40 13.734 24.994 -7.896
280 HD22 LEU 40 2HD2 LEU 40 12.404 25.913 -7.856
281 HD23 LEU 40 3HD2 LEU 40 12.297 24.355 -8.276
282 H VAL 41 H VAL 41 8.480 26.162 -7.504
283 HA VAL 41 HA VAL 41 6.452 25.351 -5.662
284 HB VAL 41 HB VAL 41 4.904 27.040 -6.627
285 HG11 VAL 41 1HG1 VAL 41 5.792 28.929 -5.408
286 HG12 VAL 41 2HG1 VAL 41 7.231 28.197 -5.320
287 HG13 VAL 41 3HG1 VAL 41 5.960 27.579 -4.534
288 HG21 VAL 41 1HG2 VAL 41 5.814 28.860 -7.926
289 HG22 VAL 41 2HG2 VAL 41 6.023 27.464 -8.714
290 HG23 VAL 41 3HG2 VAL 41 7.263 28.142 -7.928
291 H PHE 42 H PHE 42 4.638 24.189 -6.498
292 HA PHE 42 HA PHE 42 5.279 22.854 -8.903
293 HB2 PHE 42 1HB PHE 42 4.299 21.591 -7.165
294 HB3 PHE 42 2HB PHE 42 2.980 22.554 -7.171
295 HD1 PHE 42 HD1 PHE 42 4.682 20.888 -9.929
296 HD2 PHE 42 HD2 PHE 42 1.138 21.244 -7.782
297 HE1 PHE 42 HE1 PHE 42 3.568 19.497 -11.532
298 HE2 PHE 42 HE2 PHE 42 0.042 19.775 -9.357
299 HZ PHE 42 HZ PHE 42 1.257 18.913 -11.238
300 H SER 43 H SER 43 4.470 23.132 -10.943
301 HA SER 43 HA SER 43 2.404 25.120 -11.244
302 HB2 SER 43 1HB SER 43 4.367 25.721 -12.425
303 HB3 SER 43 2HB SER 43 4.356 24.292 -13.215
304 HG SER 43 HG SER 43 3.466 25.604 -14.626
305 H ASN 44 H ASN 44 0.479 24.059 -11.171
306 HA ASN 44 HA ASN 44 0.192 21.440 -11.854
307 HB2 ASN 44 1HB ASN 44 -1.847 23.504 -11.615
308 HB3 ASN 44 2HB ASN 44 -2.257 21.935 -11.804
309 HD21 ASN 44 1HD2 ASN 44 -2.330 21.342 -8.448
310 HD22 ASN 44 2HD2 ASN 44 -2.967 21.013 -10.025
311 H SER 45 H SER 45 0.010 24.180 -13.856
312 HA SER 45 HA SER 45 -1.464 23.010 -15.894
313 HB2 SER 45 1HB SER 45 -0.490 24.949 -17.216
314 HB3 SER 45 2HB SER 45 -1.371 25.362 -15.904
315 HG SER 45 HG SER 45 1.297 24.922 -15.586
316 H CYS 46 H CYS 46 1.972 23.240 -15.373
317 HA CYS 46 HA CYS 46 2.389 21.951 -17.885
318 HB2 CYS 46 1HB CYS 46 4.491 22.722 -17.898
319 HB3 CYS 46 2HB CYS 46 3.636 23.921 -17.193
320 H LYS 47 H LYS 47 2.110 21.057 -14.785
321 HA LYS 47 HA LYS 47 2.420 19.158 -13.718
322 HB2 LYS 47 1HB LYS 47 2.969 17.916 -16.246
323 HB3 LYS 47 2HB LYS 47 2.971 17.054 -14.859
324 HG2 LYS 47 1HG LYS 47 0.912 16.738 -15.948
325 HG3 LYS 47 2HG LYS 47 0.644 17.573 -14.570
326 HD2 LYS 47 1HD LYS 47 0.177 19.451 -15.645
327 HD3 LYS 47 2HD LYS 47 1.053 19.029 -16.957
328 HE2 LYS 47 1HE LYS 47 -0.649 17.512 -17.602
329 HE3 LYS 47 2HE LYS 47 -1.526 17.944 -16.294
330 HZ1 LYS 47 1HZ LYS 47 -2.260 19.165 -18.209
331 HZ2 LYS 47 2HZ LYS 47 -0.767 19.753 -18.412
332 HZ3 LYS 47 3HZ LYS 47 -1.636 20.181 -17.117
333 H CYS 48 H CYS 48 4.493 21.078 -13.999
334 HA CYS 48 HA CYS 48 6.739 19.446 -13.294
335 HB2 CYS 48 1HB CYS 48 7.697 21.820 -14.123
336 HB3 CYS 48 2HB CYS 48 8.015 20.341 -14.740
337 H CYS 49 H CYS 49 8.320 20.514 -11.805
338 HA CYS 49 HA CYS 49 7.054 22.536 -10.144
339 HB2 CYS 49 1HB CYS 49 7.734 20.629 -9.039
340 HB3 CYS 49 2HB CYS 49 9.260 20.861 -9.574
341 H THR 50 H THR 50 8.093 24.596 -10.009
342 HA THR 50 HA THR 50 10.528 24.877 -11.467
343 HB THR 50 HB THR 50 8.777 25.361 -13.117
344 HG1 THR 50 HG1 THR 50 10.767 26.459 -13.240
345 HG21 THR 50 1HG2 THR 50 7.373 27.286 -12.828
346 HG22 THR 50 2HG2 THR 50 8.027 27.568 -11.376
347 HG23 THR 50 3HG2 THR 50 7.100 26.263 -11.606
348 H TRP 51 H TRP 51 11.587 27.043 -11.187
349 HA TRP 51 HA TRP 51 11.437 27.891 -8.523
350 HB2 TRP 51 1HB TRP 51 13.423 28.049 -9.916
351 HB3 TRP 51 2HB TRP 51 12.703 29.270 -10.728
352 HD1 TRP 51 HD1 TRP 51 13.422 28.693 -7.084
353 HE1 TRP 51 HE1 TRP 51 14.349 30.740 -5.970
354 HE3 TRP 51 HE3 TRP 51 13.361 31.654 -11.109
355 HZ2 TRP 51 HZ2 TRP 51 14.981 33.351 -6.850
356 HZ3 TRP 51 HZ3 TRP 51 14.150 33.936 -10.896
357 HH2 TRP 51 HH2 TRP 51 14.947 34.763 -8.778
358 H ASN 52 H ASN 52 10.516 29.837 -7.628
359 HA ASN 52 HA ASN 52 8.211 30.702 -8.848
360 HB2 ASN 52 1HB ASN 52 8.527 31.041 -6.519
361 HB3 ASN 52 2HB ASN 52 9.736 32.098 -6.817
362 HD21 ASN 52 1HD2 ASN 52 7.480 34.660 -6.371
363 HD22 ASN 52 2HD2 ASN 52 8.891 33.856 -5.768
364 H GLY 53 H GLY 53 7.820 32.072 -10.553
365 HA2 GLY 53 1HA GLY 53 10.096 33.262 -11.739
366 HA3 GLY 53 2HA GLY 53 8.589 33.214 -12.365
367 H LEU 54 H LEU 54 7.879 34.466 -9.550
368 HA LEU 54 HA LEU 54 7.957 37.100 -10.572
369 HB2 LEU 54 1HB LEU 54 6.047 36.363 -9.399
370 HB3 LEU 54 2HB LEU 54 6.933 36.271 -8.030
371 HG LEU 54 HG LEU 54 7.221 38.615 -8.031
372 HD11 LEU 54 1HD1 LEU 54 6.117 40.054 -9.602
373 HD12 LEU 54 2HD1 LEU 54 5.599 38.768 -10.434
374 HD13 LEU 54 3HD1 LEU 54 7.178 39.112 -10.379
375 HD21 LEU 54 1HD2 LEU 54 4.927 39.181 -7.585
376 HD22 LEU 54 2HD2 LEU 54 5.276 37.729 -6.966
377 HD23 LEU 54 3HD2 LEU 54 4.454 37.839 -8.354
378 H VAL 55 H VAL 55 9.844 38.225 -10.501
379 HA VAL 55 HA VAL 55 11.440 37.953 -8.108
380 HB VAL 55 HB VAL 55 12.406 38.710 -10.744
381 HG11 VAL 55 1HG1 VAL 55 14.627 38.479 -9.832
382 HG12 VAL 55 2HG1 VAL 55 14.000 38.153 -8.377
383 HG13 VAL 55 3HG1 VAL 55 13.817 39.623 -9.025
384 HG21 VAL 55 1HG2 VAL 55 13.411 36.510 -10.844
385 HG22 VAL 55 2HG2 VAL 55 11.805 36.374 -10.712
386 HG23 VAL 55 3HG2 VAL 55 12.745 36.139 -9.418
387 HA PRO 56 HA PRO 56 10.427 42.218 -7.712
388 HB2 PRO 56 1HB PRO 56 10.952 42.601 -5.159
389 HB3 PRO 56 2HB PRO 56 9.797 41.500 -5.505
390 HG2 PRO 56 1HG PRO 56 12.539 41.027 -4.888
391 HG3 PRO 56 2HG PRO 56 11.232 40.236 -4.311
392 HD2 PRO 56 1HD PRO 56 12.685 39.318 -6.378
393 HD3 PRO 56 2HD PRO 56 11.136 38.867 -6.124
394 H ARG 57 H ARG 57 13.182 41.314 -8.504
395 HA ARG 57 HA ARG 57 14.478 43.819 -7.959
396 HB2 ARG 57 1HB ARG 57 15.716 41.209 -7.844
397 HB3 ARG 57 2HB ARG 57 16.598 42.583 -7.873
398 HG2 ARG 57 1HG ARG 57 15.669 43.201 -5.782
399 HG3 ARG 57 2HG ARG 57 14.843 41.792 -5.749
400 HD2 ARG 57 1HD ARG 57 16.838 41.556 -4.482
401 HD3 ARG 57 2HD ARG 57 16.926 40.597 -5.801
402 HE ARG 57 HE ARG 57 18.038 43.069 -6.416
403 HH11 ARG 57 1HH1 ARG 57 20.203 43.332 -6.611
404 HH12 ARG 57 2HH1 ARG 57 21.304 42.209 -5.886
405 HH21 ARG 57 1HH2 ARG 57 18.848 40.176 -4.578
406 HH22 ARG 57 2HH2 ARG 57 20.550 40.447 -4.751
Start of MODEL 13
1 H1 GLY 1 1H GLY 1 3.304 -7.867 -7.614
2 H2 GLY 1 2H GLY 1 4.401 -6.718 -7.313
3 H3 GLY 1 3H GLY 1 4.148 -7.217 -8.830
4 HA2 GLY 1 1HA GLY 1 1.968 -6.309 -8.774
5 HA3 GLY 1 2HA GLY 1 2.224 -5.805 -7.241
6 H SER 2 H SER 2 1.447 -3.784 -8.652
7 HA SER 2 HA SER 2 3.844 -2.234 -9.136
8 HB2 SER 2 1HB SER 2 3.291 -3.046 -11.318
9 HB3 SER 2 2HB SER 2 1.779 -2.451 -11.159
10 HG SER 2 HG SER 2 4.097 -1.148 -11.641
11 HA PRO 3 HA PRO 3 1.086 0.446 -7.063
12 HB2 PRO 3 1HB PRO 3 1.949 2.911 -7.579
13 HB3 PRO 3 2HB PRO 3 2.837 1.949 -6.602
14 HG2 PRO 3 1HG PRO 3 3.207 2.426 -9.387
15 HG3 PRO 3 2HG PRO 3 4.335 2.463 -8.207
16 HD2 PRO 3 1HD PRO 3 4.078 0.340 -9.676
17 HD3 PRO 3 2HD PRO 3 4.459 0.188 -8.095
18 H THR 4 H THR 4 -0.920 0.287 -7.638
19 HA THR 4 HA THR 4 -1.780 0.722 -10.190
20 HB THR 4 HB THR 4 -4.069 0.767 -9.109
21 HG1 THR 4 HG1 THR 4 -4.215 0.887 -7.015
22 HG21 THR 4 1HG2 THR 4 -3.942 -1.513 -8.345
23 HG22 THR 4 2HG2 THR 4 -2.329 -1.414 -8.268
24 HG23 THR 4 3HG2 THR 4 -3.074 -1.381 -9.703
25 H PHE 5 H PHE 5 -1.324 2.912 -7.696
26 HA PHE 5 HA PHE 5 -2.822 5.031 -8.528
27 HB2 PHE 5 1HB PHE 5 -1.671 4.973 -6.421
28 HB3 PHE 5 2HB PHE 5 -0.231 4.985 -7.190
29 HD1 PHE 5 HD1 PHE 5 0.802 7.009 -7.884
30 HD2 PHE 5 HD2 PHE 5 -3.043 7.046 -6.305
31 HE1 PHE 5 HE1 PHE 5 0.942 9.398 -7.629
32 HE2 PHE 5 HE2 PHE 5 -2.923 9.442 -6.074
33 HZ PHE 5 HZ PHE 5 -0.907 10.615 -6.716
34 H CYS 6 H CYS 6 0.195 3.948 -9.750
35 HA CYS 6 HA CYS 6 0.367 6.251 -11.456
36 HB2 CYS 6 1HB CYS 6 2.214 5.681 -10.053
37 HB3 CYS 6 2HB CYS 6 2.393 4.314 -10.928
38 H GLN 7 H GLN 7 -0.488 3.033 -11.546
39 HA GLN 7 HA GLN 7 0.182 2.503 -14.208
40 HB2 GLN 7 1HB GLN 7 -1.607 1.329 -12.337
41 HB3 GLN 7 2HB GLN 7 -1.612 0.823 -13.890
42 HG2 GLN 7 1HG GLN 7 0.709 0.234 -13.659
43 HG3 GLN 7 2HG GLN 7 0.623 0.636 -12.078
44 HE21 GLN 7 1HE2 GLN 7 -0.634 -2.924 -13.346
45 HE22 GLN 7 2HE2 GLN 7 -0.030 -1.704 -14.417
46 H GLY 8 H GLY 8 -0.810 3.084 -16.099
47 HA2 GLY 8 1HA GLY 8 -2.513 3.927 -17.366
48 HA3 GLY 8 2HA GLY 8 -3.489 4.004 -16.060
49 H LYS 9 H LYS 9 -0.523 5.466 -15.548
50 HA LYS 9 HA LYS 9 -1.668 8.074 -15.981
51 HB2 LYS 9 1HB LYS 9 0.482 7.390 -14.211
52 HB3 LYS 9 2HB LYS 9 -0.104 8.902 -14.405
53 HG2 LYS 9 1HG LYS 9 -1.504 6.686 -13.322
54 HG3 LYS 9 2HG LYS 9 -0.952 7.975 -12.485
55 HD2 LYS 9 1HD LYS 9 -2.544 9.352 -13.608
56 HD3 LYS 9 2HD LYS 9 -3.125 8.028 -14.368
57 HE2 LYS 9 1HE LYS 9 -3.643 7.073 -12.220
58 HE3 LYS 9 2HE LYS 9 -3.162 8.466 -11.515
59 HZ1 LYS 9 1HZ LYS 9 -5.520 8.432 -11.732
60 HZ2 LYS 9 2HZ LYS 9 -5.380 8.245 -13.332
61 HZ3 LYS 9 3HZ LYS 9 -4.904 9.624 -12.635
62 H ALA 10 H ALA 10 -0.615 9.613 -17.271
63 HA ALA 10 HA ALA 10 1.548 8.742 -18.875
64 HB1 ALA 10 1HB ALA 10 0.093 10.376 -19.771
65 HB2 ALA 10 2HB ALA 10 1.572 11.022 -19.673
66 HB3 ALA 10 3HB ALA 10 0.449 11.402 -18.573
67 H ASP 11 H ASP 11 3.808 9.495 -18.627
68 HA ASP 11 HA ASP 11 4.613 9.800 -15.985
69 HB2 ASP 11 1HB ASP 11 6.058 10.080 -18.447
70 HB3 ASP 11 2HB ASP 11 6.798 10.394 -17.025
71 H GLY 12 H GLY 12 5.526 11.648 -14.862
72 HA2 GLY 12 1HA GLY 12 5.935 14.110 -15.396
73 HA3 GLY 12 2HA GLY 12 4.348 14.118 -15.780
74 H LEU 13 H LEU 13 4.609 15.905 -13.956
75 HA LEU 13 HA LEU 13 4.533 14.657 -11.394
76 HB2 LEU 13 1HB LEU 13 4.477 17.470 -12.024
77 HB3 LEU 13 2HB LEU 13 4.522 16.893 -10.497
78 HG LEU 13 HG LEU 13 6.677 16.775 -12.386
79 HD11 LEU 13 1HD1 LEU 13 7.753 18.295 -10.806
80 HD12 LEU 13 2HD1 LEU 13 6.428 18.260 -9.879
81 HD13 LEU 13 3HD1 LEU 13 6.375 18.952 -11.340
82 HD21 LEU 13 1HD2 LEU 13 8.020 15.824 -10.689
83 HD22 LEU 13 2HD2 LEU 13 6.794 14.839 -11.063
84 HD23 LEU 13 3HD2 LEU 13 6.733 15.729 -9.714
85 H TYR 14 H TYR 14 2.782 14.776 -9.899
86 HA TYR 14 HA TYR 14 0.301 15.660 -11.063
87 HB2 TYR 14 1HB TYR 14 0.807 13.126 -9.774
88 HB3 TYR 14 2HB TYR 14 -0.721 13.695 -9.872
89 HD1 TYR 14 HD1 TYR 14 1.986 12.355 -11.756
90 HD2 TYR 14 HD2 TYR 14 -1.950 13.658 -11.982
91 HE1 TYR 14 HE1 TYR 14 1.806 11.410 -13.960
92 HE2 TYR 14 HE2 TYR 14 -2.142 12.694 -14.190
93 HH TYR 14 HH TYR 14 -0.267 10.496 -15.462
94 HA PRO 15 HA PRO 15 -0.322 17.753 -7.363
95 HB2 PRO 15 1HB PRO 15 -2.992 18.015 -7.185
96 HB3 PRO 15 2HB PRO 15 -2.205 18.818 -8.370
97 HG2 PRO 15 1HG PRO 15 -3.490 16.276 -8.550
98 HG3 PRO 15 2HG PRO 15 -3.689 17.565 -9.534
99 HD2 PRO 15 1HD PRO 15 -2.077 15.690 -10.260
100 HD3 PRO 15 2HD PRO 15 -1.657 17.241 -10.552
101 H ASN 16 H ASN 16 -0.695 17.763 -5.235
102 HA ASN 16 HA ASN 16 -0.954 15.083 -4.230
103 HB2 ASN 16 1HB ASN 16 0.464 15.836 -2.483
104 HB3 ASN 16 2HB ASN 16 1.121 16.330 -3.894
105 HD21 ASN 16 1HD2 ASN 16 0.352 18.970 -1.111
106 HD22 ASN 16 2HD2 ASN 16 0.435 17.255 -0.880
107 HA PRO 17 HA PRO 17 -4.466 16.225 -2.105
108 HB2 PRO 17 1HB PRO 17 -4.740 14.398 -0.144
109 HB3 PRO 17 2HB PRO 17 -4.846 13.886 -1.691
110 HG2 PRO 17 1HG PRO 17 -2.542 13.865 -0.008
111 HG3 PRO 17 2HG PRO 17 -3.153 12.624 -0.876
112 HD2 PRO 17 1HD PRO 17 -1.197 14.025 -1.862
113 HD3 PRO 17 2HD PRO 17 -2.368 13.476 -2.859
114 H ARG 18 H ARG 18 -1.728 16.143 -0.020
115 HA ARG 18 HA ARG 18 -2.750 18.402 1.325
116 HB2 ARG 18 1HB ARG 18 -3.734 16.368 2.456
117 HB3 ARG 18 2HB ARG 18 -2.240 16.152 3.078
118 HG2 ARG 18 1HG ARG 18 -3.675 18.576 3.544
119 HG3 ARG 18 2HG ARG 18 -3.897 17.273 4.504
120 HD2 ARG 18 1HD ARG 18 -1.563 17.337 5.070
121 HD3 ARG 18 2HD ARG 18 -1.410 18.699 4.183
122 HE ARG 18 HE ARG 18 -2.597 18.471 6.765
123 HH11 ARG 18 1HH1 ARG 18 -3.159 20.308 7.831
124 HH12 ARG 18 2HH1 ARG 18 -3.116 21.845 7.032
125 HH21 ARG 18 1HH2 ARG 18 -2.082 20.584 3.994
126 HH22 ARG 18 2HH2 ARG 18 -2.516 22.000 4.892
127 H GLU 19 H GLU 19 -0.520 16.054 2.505
128 HA GLU 19 HA GLU 19 1.523 16.432 3.366
129 HB2 GLU 19 1HB GLU 19 1.917 17.068 0.572
130 HB3 GLU 19 2HB GLU 19 3.162 16.709 1.567
131 HG2 GLU 19 1HG GLU 19 2.663 14.799 0.311
132 HG3 GLU 19 2HG GLU 19 2.239 14.505 1.860
133 H ARG 20 H ARG 20 3.104 18.593 1.485
134 HA ARG 20 HA ARG 20 2.317 20.915 2.851
135 HB2 ARG 20 1HB ARG 20 3.925 19.837 4.394
136 HB3 ARG 20 2HB ARG 20 5.078 20.079 3.262
137 HG2 ARG 20 1HG ARG 20 5.365 21.768 4.760
138 HG3 ARG 20 2HG ARG 20 4.609 22.467 3.493
139 HD2 ARG 20 1HD ARG 20 2.525 22.240 4.632
140 HD3 ARG 20 2HD ARG 20 3.308 21.590 5.910
141 HE ARG 20 HE ARG 20 4.386 24.093 5.383
142 HH11 ARG 20 1HH1 ARG 20 1.517 22.632 6.813
143 HH12 ARG 20 2HH1 ARG 20 1.178 24.031 7.775
144 HH21 ARG 20 1HH2 ARG 20 3.880 25.848 6.639
145 HH22 ARG 20 2HH2 ARG 20 2.494 25.818 7.678
146 H SER 21 H SER 21 5.008 19.659 1.055
147 HA SER 21 HA SER 21 4.759 21.679 -0.948
148 HB2 SER 21 1HB SER 21 7.241 21.567 0.564
149 HB3 SER 21 2HB SER 21 6.940 22.589 -0.674
150 HG SER 21 HG SER 21 5.805 23.849 0.536
151 H SER 22 H SER 22 4.304 18.992 -0.991
152 HA SER 22 HA SER 22 6.467 17.941 -2.589
153 HB2 SER 22 1HB SER 22 5.950 15.770 -1.353
154 HB3 SER 22 2HB SER 22 7.007 16.827 -0.695
155 HG SER 22 HG SER 22 4.317 16.797 -0.098
156 H PHE 23 H PHE 23 5.781 16.077 -3.905
157 HA PHE 23 HA PHE 23 3.015 16.127 -4.609
158 HB2 PHE 23 1HB PHE 23 4.230 16.673 -6.966
159 HB3 PHE 23 2HB PHE 23 3.252 17.695 -6.150
160 HD1 PHE 23 HD1 PHE 23 4.179 19.572 -4.867
161 HD2 PHE 23 HD2 PHE 23 6.578 16.852 -6.862
162 HE1 PHE 23 HE1 PHE 23 6.098 20.992 -4.488
163 HE2 PHE 23 HE2 PHE 23 8.497 18.237 -6.492
164 HZ PHE 23 HZ PHE 23 8.254 20.318 -5.317
165 H TYR 24 H TYR 24 2.725 14.770 -6.747
166 HA TYR 24 HA TYR 24 4.256 12.390 -6.311
167 HB2 TYR 24 1HB TYR 24 1.885 12.806 -7.920
168 HB3 TYR 24 2HB TYR 24 2.582 11.344 -7.709
169 HD1 TYR 24 HD1 TYR 24 2.690 10.453 -5.283
170 HD2 TYR 24 HD2 TYR 24 0.121 13.460 -6.533
171 HE1 TYR 24 HE1 TYR 24 1.276 10.033 -3.380
172 HE2 TYR 24 HE2 TYR 24 -1.330 12.996 -4.656
173 HH TYR 24 HH TYR 24 -1.846 11.092 -3.094
174 H SER 25 H SER 25 5.274 11.251 -8.061
175 HA SER 25 HA SER 25 5.442 12.663 -10.564
176 HB2 SER 25 1HB SER 25 7.451 13.252 -9.402
177 HB3 SER 25 2HB SER 25 7.784 11.672 -9.161
178 HG SER 25 HG SER 25 8.981 12.298 -10.844
179 H CYS 26 H CYS 26 5.105 11.285 -12.276
180 HA CYS 26 HA CYS 26 5.345 8.451 -11.705
181 HB2 CYS 26 1HB CYS 26 3.580 9.909 -13.298
182 HB3 CYS 26 2HB CYS 26 4.066 8.472 -13.905
183 H ALA 27 H ALA 27 6.871 7.273 -12.805
184 HA ALA 27 HA ALA 27 7.960 8.340 -15.225
185 HB1 ALA 27 1HB ALA 27 9.444 9.287 -13.613
186 HB2 ALA 27 2HB ALA 27 10.243 8.157 -14.449
187 HB3 ALA 27 3HB ALA 27 9.702 7.830 -12.961
188 H ALA 28 H ALA 28 8.180 6.689 -16.672
189 HA ALA 28 HA ALA 28 8.012 4.633 -17.423
190 HB1 ALA 28 1HB ALA 28 10.305 4.426 -16.597
191 HB2 ALA 28 2HB ALA 28 9.591 2.976 -16.559
192 HB3 ALA 28 3HB ALA 28 9.751 3.835 -15.198
193 H GLY 29 H GLY 29 5.899 5.426 -15.707
194 HA2 GLY 29 1HA GLY 29 4.004 4.405 -15.028
195 HA3 GLY 29 2HA GLY 29 4.624 2.949 -15.429
196 H ARG 30 H ARG 30 6.747 4.298 -13.296
197 HA ARG 30 HA ARG 30 5.411 3.026 -11.050
198 HB2 ARG 30 1HB ARG 30 7.353 2.337 -10.152
199 HB3 ARG 30 2HB ARG 30 7.544 2.051 -11.749
200 HG2 ARG 30 1HG ARG 30 9.509 2.960 -11.412
201 HG3 ARG 30 2HG ARG 30 8.688 4.360 -11.596
202 HD2 ARG 30 1HD ARG 30 9.958 4.609 -9.654
203 HD3 ARG 30 2HD ARG 30 8.415 4.405 -9.157
204 HE ARG 30 HE ARG 30 8.911 2.373 -8.219
205 HH11 ARG 30 1HH1 ARG 30 10.373 0.977 -7.315
206 HH12 ARG 30 2HH1 ARG 30 12.048 1.048 -7.750
207 HH21 ARG 30 1HH2 ARG 30 11.692 3.683 -9.939
208 HH22 ARG 30 2HH2 ARG 30 12.785 2.554 -9.211
209 H LEU 31 H LEU 31 5.459 3.999 -8.983
210 HA LEU 31 HA LEU 31 5.271 6.788 -9.285
211 HB2 LEU 31 1HB LEU 31 3.562 5.587 -8.067
212 HB3 LEU 31 2HB LEU 31 4.679 5.095 -6.982
213 HG LEU 31 HG LEU 31 4.851 7.343 -6.176
214 HD11 LEU 31 1HD1 LEU 31 3.301 8.998 -6.897
215 HD12 LEU 31 2HD1 LEU 31 2.716 7.978 -8.008
216 HD13 LEU 31 3HD1 LEU 31 4.231 8.529 -8.135
217 HD21 LEU 31 1HD2 LEU 31 2.731 7.364 -5.042
218 HD22 LEU 31 2HD2 LEU 31 3.322 5.859 -5.074
219 HD23 LEU 31 3HD2 LEU 31 2.149 6.290 -6.101
220 H PHE 32 H PHE 32 6.583 8.357 -8.662
221 HA PHE 32 HA PHE 32 8.444 7.802 -6.518
222 HB2 PHE 32 1HB PHE 32 8.635 9.769 -8.599
223 HB3 PHE 32 2HB PHE 32 9.567 9.844 -7.260
224 HD1 PHE 32 HD1 PHE 32 8.874 7.821 -10.140
225 HD2 PHE 32 HD2 PHE 32 11.580 8.605 -7.092
226 HE1 PHE 32 HE1 PHE 32 10.518 6.463 -11.270
227 HE2 PHE 32 HE2 PHE 32 13.238 7.229 -8.185
228 HZ PHE 32 HZ PHE 32 12.708 6.165 -10.297
229 H GLN 33 H GLN 33 8.178 9.268 -4.624
230 HA GLN 33 HA GLN 33 6.193 11.407 -4.957
231 HB2 GLN 33 1HB GLN 33 6.787 9.969 -2.582
232 HB3 GLN 33 2HB GLN 33 5.856 11.309 -2.639
233 HG2 GLN 33 1HG GLN 33 4.308 10.145 -4.068
234 HG3 GLN 33 2HG GLN 33 5.225 8.799 -3.938
235 HE21 GLN 33 1HE2 GLN 33 3.771 7.668 -1.047
236 HE22 GLN 33 2HE2 GLN 33 4.836 7.352 -2.376
237 H GLN 34 H GLN 34 7.009 13.500 -4.667
238 HA GLN 34 HA GLN 34 9.761 13.648 -3.924
239 HB2 GLN 34 1HB GLN 34 8.640 14.663 -6.425
240 HB3 GLN 34 2HB GLN 34 10.109 15.159 -5.912
241 HG2 GLN 34 1HG GLN 34 9.463 12.453 -6.656
242 HG3 GLN 34 2HG GLN 34 10.337 13.487 -7.569
243 HE21 GLN 34 1HE2 GLN 34 12.403 11.092 -5.437
244 HE22 GLN 34 2HE2 GLN 34 10.908 10.826 -6.271
245 H SER 35 H SER 35 10.659 15.874 -3.718
246 HA SER 35 HA SER 35 8.639 17.951 -3.385
247 HB2 SER 35 1HB SER 35 9.806 18.840 -1.541
248 HB3 SER 35 2HB SER 35 9.272 17.336 -1.191
249 HG SER 35 HG SER 35 11.323 17.447 -0.512
250 H CYS 36 H CYS 36 9.682 20.075 -4.086
251 HA CYS 36 HA CYS 36 12.063 19.629 -5.703
252 HB2 CYS 36 1HB CYS 36 10.068 21.598 -5.892
253 HB3 CYS 36 2HB CYS 36 11.522 21.774 -6.614
254 HA PRO 37 HA PRO 37 13.325 21.431 -2.002
255 HB2 PRO 37 1HB PRO 37 16.024 21.101 -2.028
256 HB3 PRO 37 2HB PRO 37 15.059 19.803 -1.796
257 HG2 PRO 37 1HG PRO 37 16.223 20.694 -4.250
258 HG3 PRO 37 2HG PRO 37 16.201 19.176 -3.648
259 HD2 PRO 37 1HD PRO 37 14.467 19.863 -5.440
260 HD3 PRO 37 2HD PRO 37 14.023 18.851 -4.238
261 H THR 38 H THR 38 15.418 22.611 -4.523
262 HA THR 38 HA THR 38 15.562 24.991 -2.995
263 HB THR 38 HB THR 38 17.545 25.330 -4.693
264 HG1 THR 38 HG1 THR 38 17.532 22.593 -4.683
265 HG21 THR 38 1HG2 THR 38 19.017 24.122 -3.223
266 HG22 THR 38 2HG2 THR 38 17.755 23.344 -2.577
267 HG23 THR 38 3HG2 THR 38 17.940 24.931 -2.327
268 H GLY 39 H GLY 39 14.249 26.641 -3.498
269 HA2 GLY 39 1HA GLY 39 13.717 28.405 -4.777
270 HA3 GLY 39 2HA GLY 39 14.838 27.946 -5.872
271 H LEU 40 H LEU 40 12.634 25.524 -5.582
272 HA LEU 40 HA LEU 40 11.258 26.475 -7.918
273 HB2 LEU 40 1HB LEU 40 11.999 23.755 -7.288
274 HB3 LEU 40 2HB LEU 40 11.114 24.153 -8.602
275 HG LEU 40 HG LEU 40 13.863 24.928 -8.287
276 HD11 LEU 40 1HD1 LEU 40 14.365 23.112 -9.814
277 HD12 LEU 40 2HD1 LEU 40 12.808 22.677 -9.806
278 HD13 LEU 40 3HD1 LEU 40 13.698 22.523 -8.464
279 HD21 LEU 40 1HD2 LEU 40 13.811 25.420 -10.612
280 HD22 LEU 40 2HD2 LEU 40 12.728 26.325 -9.823
281 HD23 LEU 40 3HD2 LEU 40 12.242 25.034 -10.667
282 H VAL 41 H VAL 41 9.054 26.082 -8.212
283 HA VAL 41 HA VAL 41 7.720 24.814 -5.994
284 HB VAL 41 HB VAL 41 5.855 26.401 -6.293
285 HG11 VAL 41 1HG1 VAL 41 6.899 28.235 -5.132
286 HG12 VAL 41 2HG1 VAL 41 8.356 27.656 -5.525
287 HG13 VAL 41 3HG1 VAL 41 7.403 26.828 -4.515
288 HG21 VAL 41 1HG2 VAL 41 6.246 28.435 -7.557
289 HG22 VAL 41 2HG2 VAL 41 6.337 27.156 -8.542
290 HG23 VAL 41 3HG2 VAL 41 7.689 27.874 -8.022
291 H PHE 42 H PHE 42 5.750 23.603 -6.523
292 HA PHE 42 HA PHE 42 5.965 22.551 -9.129
293 HB2 PHE 42 1HB PHE 42 5.448 20.975 -7.502
294 HB3 PHE 42 2HB PHE 42 4.205 21.873 -6.940
295 HD1 PHE 42 HD1 PHE 42 4.967 20.656 -10.297
296 HD2 PHE 42 HD2 PHE 42 2.215 20.687 -7.184
297 HE1 PHE 42 HE1 PHE 42 3.430 19.386 -11.644
298 HE2 PHE 42 HE2 PHE 42 0.686 19.387 -8.520
299 HZ PHE 42 HZ PHE 42 1.301 18.724 -10.748
300 H SER 43 H SER 43 5.090 23.338 -10.918
301 HA SER 43 HA SER 43 2.734 24.943 -10.698
302 HB2 SER 43 1HB SER 43 4.414 25.863 -12.080
303 HB3 SER 43 2HB SER 43 4.463 24.502 -12.982
304 HG SER 43 HG SER 43 3.207 25.684 -14.173
305 H ASN 44 H ASN 44 0.874 23.739 -10.575
306 HA ASN 44 HA ASN 44 0.729 21.178 -11.560
307 HB2 ASN 44 1HB ASN 44 -0.740 22.006 -9.834
308 HB3 ASN 44 2HB ASN 44 -1.506 22.930 -10.941
309 HD21 ASN 44 1HD2 ASN 44 -3.944 20.511 -11.182
310 HD22 ASN 44 2HD2 ASN 44 -3.548 22.149 -10.784
311 H SER 45 H SER 45 0.034 24.134 -13.129
312 HA SER 45 HA SER 45 -1.373 23.001 -15.262
313 HB2 SER 45 1HB SER 45 -0.712 25.228 -16.334
314 HB3 SER 45 2HB SER 45 -1.665 25.310 -15.011
315 HG SER 45 HG SER 45 -0.085 26.009 -13.811
316 H CYS 46 H CYS 46 1.962 23.557 -14.664
317 HA CYS 46 HA CYS 46 2.735 22.875 -17.300
318 HB2 CYS 46 1HB CYS 46 3.933 24.452 -16.010
319 HB3 CYS 46 2HB CYS 46 4.279 23.290 -14.915
320 H LYS 47 H LYS 47 2.170 21.225 -14.462
321 HA LYS 47 HA LYS 47 2.650 19.178 -13.694
322 HB2 LYS 47 1HB LYS 47 3.154 18.303 -16.387
323 HB3 LYS 47 2HB LYS 47 2.818 17.328 -15.121
324 HG2 LYS 47 1HG LYS 47 0.940 19.202 -16.232
325 HG3 LYS 47 2HG LYS 47 0.939 17.603 -16.565
326 HD2 LYS 47 1HD LYS 47 0.450 17.109 -14.326
327 HD3 LYS 47 2HD LYS 47 0.532 18.693 -13.939
328 HE2 LYS 47 1HE LYS 47 -1.330 19.090 -15.399
329 HE3 LYS 47 2HE LYS 47 -1.453 17.477 -15.618
330 HZ1 LYS 47 1HZ LYS 47 -2.938 18.182 -13.898
331 HZ2 LYS 47 2HZ LYS 47 -1.693 18.793 -13.067
332 HZ3 LYS 47 3HZ LYS 47 -1.815 17.195 -13.284
333 H CYS 48 H CYS 48 4.646 21.181 -13.863
334 HA CYS 48 HA CYS 48 7.018 19.595 -13.614
335 HB2 CYS 48 1HB CYS 48 8.261 20.791 -15.021
336 HB3 CYS 48 2HB CYS 48 6.861 20.554 -15.829
337 H CYS 49 H CYS 49 8.806 20.789 -12.448
338 HA CYS 49 HA CYS 49 7.703 22.685 -10.594
339 HB2 CYS 49 1HB CYS 49 10.031 21.170 -10.668
340 HB3 CYS 49 2HB CYS 49 10.151 22.622 -9.929
341 H THR 50 H THR 50 8.130 24.885 -10.629
342 HA THR 50 HA THR 50 9.724 25.793 -12.835
343 HB THR 50 HB THR 50 8.161 27.762 -12.907
344 HG1 THR 50 HG1 THR 50 6.056 27.008 -11.906
345 HG21 THR 50 1HG2 THR 50 6.409 26.596 -14.048
346 HG22 THR 50 2HG2 THR 50 6.898 25.197 -13.400
347 HG23 THR 50 3HG2 THR 50 7.827 25.954 -14.486
348 H TRP 51 H TRP 51 10.718 27.936 -12.637
349 HA TRP 51 HA TRP 51 11.987 28.357 -10.210
350 HB2 TRP 51 1HB TRP 51 12.735 29.095 -12.420
351 HB3 TRP 51 2HB TRP 51 11.603 30.270 -12.352
352 HD1 TRP 51 HD1 TRP 51 11.988 31.950 -10.144
353 HE1 TRP 51 HE1 TRP 51 14.076 33.081 -9.348
354 HE3 TRP 51 HE3 TRP 51 15.224 28.922 -12.444
355 HZ2 TRP 51 HZ2 TRP 51 16.836 32.672 -9.798
356 HZ3 TRP 51 HZ3 TRP 51 17.600 29.377 -12.246
357 HH2 TRP 51 HH2 TRP 51 18.387 31.244 -10.935
358 H ASN 52 H ASN 52 11.417 29.478 -8.355
359 HA ASN 52 HA ASN 52 8.772 30.382 -8.247
360 HB2 ASN 52 1HB ASN 52 9.860 29.457 -6.303
361 HB3 ASN 52 2HB ASN 52 10.851 30.753 -6.252
362 HD21 ASN 52 1HD2 ASN 52 8.807 32.368 -4.034
363 HD22 ASN 52 2HD2 ASN 52 10.408 31.868 -4.465
364 H GLY 53 H GLY 53 7.926 32.338 -8.795
365 HA2 GLY 53 1HA GLY 53 8.756 34.760 -8.124
366 HA3 GLY 53 2HA GLY 53 9.702 34.459 -9.421
367 H LEU 54 H LEU 54 7.850 36.509 -9.437
368 HA LEU 54 HA LEU 54 5.809 35.535 -11.260
369 HB2 LEU 54 1HB LEU 54 5.045 36.623 -9.206
370 HB3 LEU 54 2HB LEU 54 5.631 38.013 -9.831
371 HG LEU 54 HG LEU 54 3.959 36.832 -11.675
372 HD11 LEU 54 1HD1 LEU 54 1.887 36.937 -10.478
373 HD12 LEU 54 2HD1 LEU 54 2.687 37.274 -9.114
374 HD13 LEU 54 3HD1 LEU 54 2.855 35.826 -9.813
375 HD21 LEU 54 1HD2 LEU 54 2.859 38.941 -11.634
376 HD22 LEU 54 2HD2 LEU 54 4.461 39.146 -11.711
377 HD23 LEU 54 3HD2 LEU 54 3.686 39.353 -10.307
378 H VAL 55 H VAL 55 5.655 36.500 -13.313
379 HA VAL 55 HA VAL 55 7.930 38.017 -14.081
380 HB VAL 55 HB VAL 55 5.720 37.103 -15.749
381 HG11 VAL 55 1HG1 VAL 55 7.096 37.560 -17.634
382 HG12 VAL 55 2HG1 VAL 55 8.237 38.169 -16.663
383 HG13 VAL 55 3HG1 VAL 55 6.812 38.919 -16.805
384 HG21 VAL 55 1HG2 VAL 55 7.231 35.324 -16.449
385 HG22 VAL 55 2HG2 VAL 55 7.002 35.235 -14.851
386 HG23 VAL 55 3HG2 VAL 55 8.363 35.882 -15.438
387 HA PRO 56 HA PRO 56 5.386 41.524 -13.460
388 HB2 PRO 56 1HB PRO 56 7.193 43.382 -12.837
389 HB3 PRO 56 2HB PRO 56 7.120 42.088 -11.843
390 HG2 PRO 56 1HG PRO 56 8.889 42.500 -14.042
391 HG3 PRO 56 2HG PRO 56 9.278 42.043 -12.522
392 HD2 PRO 56 1HD PRO 56 8.965 40.264 -14.461
393 HD3 PRO 56 2HD PRO 56 8.679 39.879 -12.899
394 H ARG 57 H ARG 57 6.832 41.067 -16.195
395 HA ARG 57 HA ARG 57 6.404 43.741 -17.179
396 HB2 ARG 57 1HB ARG 57 7.762 43.206 -19.027
397 HB3 ARG 57 2HB ARG 57 8.552 42.719 -17.683
398 HG2 ARG 57 1HG ARG 57 7.980 40.502 -18.092
399 HG3 ARG 57 2HG ARG 57 7.033 40.941 -19.348
400 HD2 ARG 57 1HD ARG 57 9.011 41.733 -20.467
401 HD3 ARG 57 2HD ARG 57 9.894 41.081 -19.259
402 HE ARG 57 HE ARG 57 8.253 39.080 -20.161
403 HH11 ARG 57 1HH1 ARG 57 8.889 37.521 -21.583
404 HH12 ARG 57 2HH1 ARG 57 10.268 37.765 -22.603
405 HH21 ARG 57 1HH2 ARG 57 10.966 40.929 -21.427
406 HH22 ARG 57 2HH2 ARG 57 11.427 39.664 -22.516
Start of MODEL 14
1 H1 GLY 1 1H GLY 1 3.007 -7.384 -6.783
2 H2 GLY 1 2H GLY 1 3.218 -6.179 -5.726
3 H3 GLY 1 3H GLY 1 4.332 -6.460 -6.864
4 HA2 GLY 1 1HA GLY 1 2.788 -5.823 -8.542
5 HA3 GLY 1 2HA GLY 1 1.664 -5.540 -7.393
6 H SER 2 H SER 2 1.828 -3.368 -8.780
7 HA SER 2 HA SER 2 3.618 -1.625 -7.275
8 HB2 SER 2 1HB SER 2 4.029 -2.106 -9.847
9 HB3 SER 2 2HB SER 2 3.171 -0.717 -9.890
10 HG SER 2 HG SER 2 5.683 -1.138 -9.088
11 HA PRO 3 HA PRO 3 -0.035 0.414 -6.362
12 HB2 PRO 3 1HB PRO 3 1.212 3.023 -6.842
13 HB3 PRO 3 2HB PRO 3 0.461 2.564 -5.466
14 HG2 PRO 3 1HG PRO 3 2.971 2.652 -5.458
15 HG3 PRO 3 2HG PRO 3 2.254 1.359 -4.764
16 HD2 PRO 3 1HD PRO 3 3.447 1.499 -7.371
17 HD3 PRO 3 2HD PRO 3 3.626 0.316 -6.258
18 H THR 4 H THR 4 -1.936 0.738 -7.189
19 HA THR 4 HA THR 4 -2.166 1.034 -9.925
20 HB THR 4 HB THR 4 -4.576 1.654 -8.612
21 HG1 THR 4 HG1 THR 4 -3.783 0.739 -6.830
22 HG21 THR 4 1HG2 THR 4 -5.337 -0.366 -9.684
23 HG22 THR 4 2HG2 THR 4 -3.812 -0.771 -10.038
24 HG23 THR 4 3HG2 THR 4 -4.499 0.501 -10.762
25 H PHE 5 H PHE 5 -1.817 3.278 -7.550
26 HA PHE 5 HA PHE 5 -2.915 5.542 -8.562
27 HB2 PHE 5 1HB PHE 5 -1.774 5.383 -6.407
28 HB3 PHE 5 2HB PHE 5 -0.343 5.249 -7.183
29 HD1 PHE 5 HD1 PHE 5 0.831 7.196 -7.985
30 HD2 PHE 5 HD2 PHE 5 -2.950 7.547 -6.315
31 HE1 PHE 5 HE1 PHE 5 1.133 9.590 -7.813
32 HE2 PHE 5 HE2 PHE 5 -2.686 9.929 -6.202
33 HZ PHE 5 HZ PHE 5 -0.636 10.950 -6.915
34 H CYS 6 H CYS 6 0.106 4.058 -9.476
35 HA CYS 6 HA CYS 6 0.409 6.063 -11.517
36 HB2 CYS 6 1HB CYS 6 2.074 5.944 -9.806
37 HB3 CYS 6 2HB CYS 6 2.495 4.484 -10.404
38 H GLN 7 H GLN 7 -0.469 2.915 -11.225
39 HA GLN 7 HA GLN 7 0.827 1.753 -13.369
40 HB2 GLN 7 1HB GLN 7 -1.615 1.198 -12.059
41 HB3 GLN 7 2HB GLN 7 -1.301 0.415 -13.457
42 HG2 GLN 7 1HG GLN 7 0.722 -0.432 -12.419
43 HG3 GLN 7 2HG GLN 7 0.180 0.186 -11.008
44 HE21 GLN 7 1HE2 GLN 7 -1.738 -2.613 -10.241
45 HE22 GLN 7 2HE2 GLN 7 -0.849 -1.240 -9.671
46 H GLY 8 H GLY 8 0.856 2.366 -15.471
47 HA2 GLY 8 1HA GLY 8 -0.025 2.960 -17.461
48 HA3 GLY 8 2HA GLY 8 -1.534 2.808 -16.854
49 H LYS 9 H LYS 9 0.442 4.963 -15.141
50 HA LYS 9 HA LYS 9 -1.080 7.157 -16.163
51 HB2 LYS 9 1HB LYS 9 0.402 6.808 -13.812
52 HB3 LYS 9 2HB LYS 9 0.387 8.328 -14.407
53 HG2 LYS 9 1HG LYS 9 -1.386 8.145 -12.919
54 HG3 LYS 9 2HG LYS 9 -2.014 8.236 -14.424
55 HD2 LYS 9 1HD LYS 9 -2.350 5.911 -14.459
56 HD3 LYS 9 2HD LYS 9 -1.630 5.763 -13.000
57 HE2 LYS 9 1HE LYS 9 -3.412 7.039 -12.055
58 HE3 LYS 9 2HE LYS 9 -4.153 7.005 -13.510
59 HZ1 LYS 9 1HZ LYS 9 -4.959 5.222 -12.142
60 HZ2 LYS 9 2HZ LYS 9 -3.452 4.655 -11.988
61 HZ3 LYS 9 3HZ LYS 9 -4.186 4.622 -13.429
62 H ALA 10 H ALA 10 -0.242 8.978 -17.210
63 HA ALA 10 HA ALA 10 2.037 8.526 -18.738
64 HB1 ALA 10 1HB ALA 10 0.346 10.018 -19.537
65 HB2 ALA 10 2HB ALA 10 1.746 10.824 -19.470
66 HB3 ALA 10 3HB ALA 10 0.634 11.039 -18.316
67 H ASP 11 H ASP 11 4.160 9.418 -18.553
68 HA ASP 11 HA ASP 11 5.070 9.767 -15.964
69 HB2 ASP 11 1HB ASP 11 6.369 10.117 -18.503
70 HB3 ASP 11 2HB ASP 11 7.161 10.531 -17.136
71 H GLY 12 H GLY 12 5.782 11.634 -14.806
72 HA2 GLY 12 1HA GLY 12 6.053 14.129 -15.347
73 HA3 GLY 12 2HA GLY 12 4.475 14.031 -15.754
74 H LEU 13 H LEU 13 4.627 15.815 -13.912
75 HA LEU 13 HA LEU 13 4.519 14.484 -11.394
76 HB2 LEU 13 1HB LEU 13 4.431 17.324 -11.963
77 HB3 LEU 13 2HB LEU 13 4.483 16.721 -10.447
78 HG LEU 13 HG LEU 13 6.664 16.827 -12.313
79 HD11 LEU 13 1HD1 LEU 13 7.644 18.184 -10.533
80 HD12 LEU 13 2HD1 LEU 13 6.320 17.955 -9.633
81 HD13 LEU 13 3HD1 LEU 13 6.235 18.835 -10.987
82 HD21 LEU 13 1HD2 LEU 13 8.036 15.726 -10.762
83 HD22 LEU 13 2HD2 LEU 13 6.851 14.747 -11.266
84 HD23 LEU 13 3HD2 LEU 13 6.758 15.447 -9.811
85 H TYR 14 H TYR 14 2.874 14.680 -9.847
86 HA TYR 14 HA TYR 14 0.352 15.646 -10.839
87 HB2 TYR 14 1HB TYR 14 0.765 13.094 -9.538
88 HB3 TYR 14 2HB TYR 14 -0.723 13.719 -9.786
89 HD1 TYR 14 HD1 TYR 14 2.112 12.270 -11.444
90 HD2 TYR 14 HD2 TYR 14 -1.775 13.639 -12.002
91 HE1 TYR 14 HE1 TYR 14 2.096 11.333 -13.663
92 HE2 TYR 14 HE2 TYR 14 -1.794 12.678 -14.217
93 HH TYR 14 HH TYR 14 0.218 10.412 -15.290
94 HA PRO 15 HA PRO 15 0.252 17.669 -7.111
95 HB2 PRO 15 1HB PRO 15 -2.355 18.162 -6.571
96 HB3 PRO 15 2HB PRO 15 -1.686 18.873 -7.880
97 HG2 PRO 15 1HG PRO 15 -3.167 16.426 -7.799
98 HG3 PRO 15 2HG PRO 15 -3.405 17.698 -8.796
99 HD2 PRO 15 1HD PRO 15 -2.057 15.675 -9.646
100 HD3 PRO 15 2HD PRO 15 -1.587 17.178 -10.077
101 H ASN 16 H ASN 16 0.395 17.712 -5.032
102 HA ASN 16 HA ASN 16 -0.059 15.196 -3.806
103 HB2 ASN 16 1HB ASN 16 1.456 16.058 -2.153
104 HB3 ASN 16 2HB ASN 16 2.057 16.450 -3.620
105 HD21 ASN 16 1HD2 ASN 16 1.677 19.262 -1.053
106 HD22 ASN 16 2HD2 ASN 16 1.882 17.569 -0.754
107 HA PRO 17 HA PRO 17 -3.374 16.542 -1.451
108 HB2 PRO 17 1HB PRO 17 -3.547 14.733 0.565
109 HB3 PRO 17 2HB PRO 17 -3.616 14.145 -0.958
110 HG2 PRO 17 1HG PRO 17 -1.307 14.374 0.716
111 HG3 PRO 17 2HG PRO 17 -1.815 13.052 -0.097
112 HD2 PRO 17 1HD PRO 17 0.028 14.610 -1.101
113 HD3 PRO 17 2HD PRO 17 -1.018 13.822 -2.077
114 H ARG 18 H ARG 18 -0.535 16.848 0.340
115 HA ARG 18 HA ARG 18 -1.993 18.425 2.186
116 HB2 ARG 18 1HB ARG 18 -0.064 16.380 2.981
117 HB3 ARG 18 2HB ARG 18 -0.551 17.506 4.059
118 HG2 ARG 18 1HG ARG 18 -2.727 16.641 4.046
119 HG3 ARG 18 2HG ARG 18 -2.338 15.594 2.855
120 HD2 ARG 18 1HD ARG 18 -0.789 14.544 4.338
121 HD3 ARG 18 2HD ARG 18 -1.293 15.542 5.528
122 HE ARG 18 HE ARG 18 -2.719 13.287 4.476
123 HH11 ARG 18 1HH1 ARG 18 -4.491 12.575 5.583
124 HH12 ARG 18 2HH1 ARG 18 -5.173 13.517 6.867
125 HH21 ARG 18 1HH2 ARG 18 -2.912 16.090 6.627
126 HH22 ARG 18 2HH2 ARG 18 -4.302 15.462 7.447
127 H GLU 19 H GLU 19 1.379 17.732 1.467
128 HA GLU 19 HA GLU 19 2.153 19.918 2.980
129 HB2 GLU 19 1HB GLU 19 3.786 18.416 1.095
130 HB3 GLU 19 2HB GLU 19 4.407 19.392 2.249
131 HG2 GLU 19 1HG GLU 19 3.075 16.881 2.679
132 HG3 GLU 19 2HG GLU 19 4.639 17.218 3.009
133 H ARG 20 H ARG 20 3.673 21.665 2.368
134 HA ARG 20 HA ARG 20 2.319 23.220 0.552
135 HB2 ARG 20 1HB ARG 20 3.612 24.054 2.477
136 HB3 ARG 20 2HB ARG 20 4.976 23.760 1.628
137 HG2 ARG 20 1HG ARG 20 4.458 26.066 1.608
138 HG3 ARG 20 2HG ARG 20 4.410 25.453 0.095
139 HD2 ARG 20 1HD ARG 20 2.169 25.698 -0.067
140 HD3 ARG 20 2HD ARG 20 1.943 25.544 1.543
141 HE ARG 20 HE ARG 20 2.475 27.940 0.119
142 HH11 ARG 20 1HH1 ARG 20 2.194 26.473 3.319
143 HH12 ARG 20 2HH1 ARG 20 2.023 28.013 4.094
144 HH21 ARG 20 1HH2 ARG 20 2.267 29.861 1.212
145 HH22 ARG 20 2HH2 ARG 20 2.063 29.880 2.932
146 H SER 21 H SER 21 5.290 21.541 0.065
147 HA SER 21 HA SER 21 5.189 22.409 -2.653
148 HB2 SER 21 1HB SER 21 7.678 22.205 -1.078
149 HB3 SER 21 2HB SER 21 7.626 22.788 -2.603
150 HG SER 21 HG SER 21 6.760 24.620 -1.961
151 H SER 22 H SER 22 4.983 19.699 -1.028
152 HA SER 22 HA SER 22 6.834 18.157 -2.500
153 HB2 SER 22 1HB SER 22 5.847 16.263 -1.440
154 HB3 SER 22 2HB SER 22 5.995 17.447 -0.324
155 HG SER 22 HG SER 22 3.699 17.237 -1.780
156 H PHE 23 H PHE 23 6.170 16.258 -3.931
157 HA PHE 23 HA PHE 23 3.641 16.598 -5.156
158 HB2 PHE 23 1HB PHE 23 4.603 16.607 -7.414
159 HB3 PHE 23 2HB PHE 23 4.885 17.981 -6.579
160 HD1 PHE 23 HD1 PHE 23 7.041 18.791 -6.337
161 HD2 PHE 23 HD2 PHE 23 6.523 14.840 -7.483
162 HE1 PHE 23 HE1 PHE 23 9.409 18.613 -6.726
163 HE2 PHE 23 HE2 PHE 23 8.903 14.619 -7.845
164 HZ PHE 23 HZ PHE 23 10.349 16.517 -7.491
165 H TYR 24 H TYR 24 3.091 14.913 -6.751
166 HA TYR 24 HA TYR 24 4.360 12.398 -6.127
167 HB2 TYR 24 1HB TYR 24 1.981 12.946 -7.644
168 HB3 TYR 24 2HB TYR 24 2.627 11.449 -7.549
169 HD1 TYR 24 HD1 TYR 24 2.725 10.327 -5.240
170 HD2 TYR 24 HD2 TYR 24 0.383 13.639 -6.101
171 HE1 TYR 24 HE1 TYR 24 1.341 9.834 -3.321
172 HE2 TYR 24 HE2 TYR 24 -1.034 13.126 -4.224
173 HH TYR 24 HH TYR 24 -1.679 11.156 -2.842
174 H SER 25 H SER 25 5.293 11.172 -7.954
175 HA SER 25 HA SER 25 5.406 12.544 -10.476
176 HB2 SER 25 1HB SER 25 7.475 13.054 -9.339
177 HB3 SER 25 2HB SER 25 7.788 11.454 -9.239
178 HG SER 25 HG SER 25 8.876 12.152 -10.958
179 H CYS 26 H CYS 26 5.512 11.129 -12.259
180 HA CYS 26 HA CYS 26 5.416 8.301 -11.608
181 HB2 CYS 26 1HB CYS 26 3.803 9.806 -13.310
182 HB3 CYS 26 2HB CYS 26 4.212 8.306 -13.811
183 H ALA 27 H ALA 27 7.070 7.153 -12.565
184 HA ALA 27 HA ALA 27 8.264 8.183 -14.992
185 HB1 ALA 27 1HB ALA 27 9.718 8.916 -13.240
186 HB2 ALA 27 2HB ALA 27 10.473 7.794 -14.127
187 HB3 ALA 27 3HB ALA 27 9.842 7.400 -12.691
188 H ALA 28 H ALA 28 8.192 6.662 -16.534
189 HA ALA 28 HA ALA 28 7.773 4.694 -17.399
190 HB1 ALA 28 1HB ALA 28 10.095 4.263 -16.831
191 HB2 ALA 28 2HB ALA 28 9.275 2.870 -16.819
192 HB3 ALA 28 3HB ALA 28 9.635 3.608 -15.426
193 H GLY 29 H GLY 29 5.822 5.467 -15.566
194 HA2 GLY 29 1HA GLY 29 3.962 4.534 -14.701
195 HA3 GLY 29 2HA GLY 29 4.464 3.057 -15.185
196 H ARG 30 H ARG 30 6.669 4.606 -13.184
197 HA ARG 30 HA ARG 30 5.870 2.981 -10.924
198 HB2 ARG 30 1HB ARG 30 8.523 4.064 -11.301
199 HB3 ARG 30 2HB ARG 30 8.101 2.868 -10.272
200 HG2 ARG 30 1HG ARG 30 8.240 2.603 -13.139
201 HG3 ARG 30 2HG ARG 30 9.315 1.971 -12.084
202 HD2 ARG 30 1HD ARG 30 7.830 0.395 -11.364
203 HD3 ARG 30 2HD ARG 30 6.563 1.177 -12.035
204 HE ARG 30 HE ARG 30 8.344 0.486 -14.046
205 HH11 ARG 30 1HH1 ARG 30 7.930 -1.153 -15.435
206 HH12 ARG 30 2HH1 ARG 30 6.792 -2.395 -15.029
207 HH21 ARG 30 1HH2 ARG 30 5.943 -1.063 -11.968
208 HH22 ARG 30 2HH2 ARG 30 5.687 -2.347 -13.102
209 H LEU 31 H LEU 31 5.682 3.854 -8.862
210 HA LEU 31 HA LEU 31 5.137 6.595 -8.934
211 HB2 LEU 31 1HB LEU 31 4.294 4.571 -7.387
212 HB3 LEU 31 2HB LEU 31 5.183 5.456 -6.342
213 HG LEU 31 HG LEU 31 2.719 6.184 -7.584
214 HD11 LEU 31 1HD1 LEU 31 2.094 6.557 -5.246
215 HD12 LEU 31 2HD1 LEU 31 3.599 6.173 -4.798
216 HD13 LEU 31 3HD1 LEU 31 2.635 5.046 -5.441
217 HD21 LEU 31 1HD2 LEU 31 2.835 8.402 -6.726
218 HD22 LEU 31 2HD2 LEU 31 3.989 8.160 -7.833
219 HD23 LEU 31 3HD2 LEU 31 4.362 8.148 -6.260
220 H PHE 32 H PHE 32 6.201 8.332 -8.236
221 HA PHE 32 HA PHE 32 8.308 7.925 -6.306
222 HB2 PHE 32 1HB PHE 32 8.424 9.418 -8.699
223 HB3 PHE 32 2HB PHE 32 9.125 10.105 -7.393
224 HD1 PHE 32 HD1 PHE 32 9.305 7.320 -9.634
225 HD2 PHE 32 HD2 PHE 32 11.192 9.271 -6.495
226 HE1 PHE 32 HE1 PHE 32 11.254 5.931 -9.943
227 HE2 PHE 32 HE2 PHE 32 13.164 7.917 -6.842
228 HZ PHE 32 HZ PHE 32 13.196 6.254 -8.570
229 H GLN 33 H GLN 33 8.090 9.120 -4.468
230 HA GLN 33 HA GLN 33 6.075 11.234 -4.466
231 HB2 GLN 33 1HB GLN 33 6.575 9.309 -2.412
232 HB3 GLN 33 2HB GLN 33 5.695 10.662 -2.165
233 HG2 GLN 33 1HG GLN 33 3.933 9.879 -3.322
234 HG3 GLN 33 2HG GLN 33 4.855 8.901 -4.249
235 HE21 GLN 33 1HE2 GLN 33 2.973 7.436 -1.114
236 HE22 GLN 33 2HE2 GLN 33 2.733 9.038 -1.729
237 H GLN 34 H GLN 34 7.233 13.188 -4.253
238 HA GLN 34 HA GLN 34 9.655 13.039 -2.731
239 HB2 GLN 34 1HB GLN 34 9.541 14.153 -5.411
240 HB3 GLN 34 2HB GLN 34 10.873 14.216 -4.468
241 HG2 GLN 34 1HG GLN 34 11.094 11.864 -4.607
242 HG3 GLN 34 2HG GLN 34 9.747 11.785 -5.526
243 HE21 GLN 34 1HE2 GLN 34 13.226 12.228 -7.309
244 HE22 GLN 34 2HE2 GLN 34 12.964 11.627 -5.706
245 H SER 35 H SER 35 10.662 15.135 -2.157
246 HA SER 35 HA SER 35 8.637 17.181 -1.943
247 HB2 SER 35 1HB SER 35 10.131 18.007 -0.124
248 HB3 SER 35 2HB SER 35 9.423 16.569 0.189
249 HG SER 35 HG SER 35 11.246 15.510 -0.261
250 H CYS 36 H CYS 36 9.073 19.332 -2.494
251 HA CYS 36 HA CYS 36 11.419 19.778 -4.163
252 HB2 CYS 36 1HB CYS 36 8.900 20.331 -4.528
253 HB3 CYS 36 2HB CYS 36 9.541 21.758 -4.060
254 HA PRO 37 HA PRO 37 12.400 21.503 -0.360
255 HB2 PRO 37 1HB PRO 37 15.003 22.222 -0.607
256 HB3 PRO 37 2HB PRO 37 14.611 20.636 -0.619
257 HG2 PRO 37 1HG PRO 37 15.034 22.345 -2.880
258 HG3 PRO 37 2HG PRO 37 15.645 20.851 -2.633
259 HD2 PRO 37 1HD PRO 37 13.529 21.165 -4.120
260 HD3 PRO 37 2HD PRO 37 13.683 19.830 -3.191
261 H THR 38 H THR 38 14.334 23.896 -1.996
262 HA THR 38 HA THR 38 13.059 25.673 -0.186
263 HB THR 38 HB THR 38 15.466 26.227 -1.701
264 HG1 THR 38 HG1 THR 38 15.985 25.547 0.803
265 HG21 THR 38 1HG2 THR 38 16.012 27.772 0.078
266 HG22 THR 38 2HG2 THR 38 14.644 27.383 0.847
267 HG23 THR 38 3HG2 THR 38 14.582 28.183 -0.557
268 H GLY 39 H GLY 39 11.397 26.935 -0.745
269 HA2 GLY 39 1HA GLY 39 10.575 28.732 -1.843
270 HA3 GLY 39 2HA GLY 39 11.962 28.860 -2.695
271 H LEU 40 H LEU 40 10.095 25.978 -2.907
272 HA LEU 40 HA LEU 40 9.331 26.811 -5.541
273 HB2 LEU 40 1HB LEU 40 9.877 24.129 -4.645
274 HB3 LEU 40 2HB LEU 40 9.264 24.445 -6.125
275 HG LEU 40 HG LEU 40 11.297 24.014 -6.751
276 HD11 LEU 40 1HD1 LEU 40 12.654 25.905 -7.075
277 HD12 LEU 40 2HD1 LEU 40 11.735 26.747 -6.045
278 HD13 LEU 40 3HD1 LEU 40 11.111 26.223 -7.441
279 HD21 LEU 40 1HD2 LEU 40 13.234 24.199 -5.315
280 HD22 LEU 40 2HD2 LEU 40 12.071 23.354 -4.574
281 HD23 LEU 40 3HD2 LEU 40 12.324 24.902 -4.179
282 H VAL 41 H VAL 41 7.380 25.893 -6.492
283 HA VAL 41 HA VAL 41 5.404 24.895 -4.655
284 HB VAL 41 HB VAL 41 3.678 26.279 -5.706
285 HG11 VAL 41 1HG1 VAL 41 4.203 28.313 -4.532
286 HG12 VAL 41 2HG1 VAL 41 5.737 27.828 -4.371
287 HG13 VAL 41 3HG1 VAL 41 4.554 27.031 -3.610
288 HG21 VAL 41 1HG2 VAL 41 4.332 28.161 -7.075
289 HG22 VAL 41 2HG2 VAL 41 4.780 26.781 -7.790
290 HG23 VAL 41 3HG2 VAL 41 5.874 27.681 -7.010
291 H PHE 42 H PHE 42 3.457 23.905 -6.074
292 HA PHE 42 HA PHE 42 4.710 22.694 -8.375
293 HB2 PHE 42 1HB PHE 42 3.777 21.128 -6.882
294 HB3 PHE 42 2HB PHE 42 2.329 21.879 -6.952
295 HD1 PHE 42 HD1 PHE 42 4.614 20.733 -9.518
296 HD2 PHE 42 HD2 PHE 42 0.744 20.488 -8.001
297 HE1 PHE 42 HE1 PHE 42 3.989 19.361 -11.381
298 HE2 PHE 42 HE2 PHE 42 0.114 19.060 -9.841
299 HZ PHE 42 HZ PHE 42 1.741 18.480 -11.530
300 H SER 43 H SER 43 4.042 22.989 -10.473
301 HA SER 43 HA SER 43 1.692 24.605 -10.804
302 HB2 SER 43 1HB SER 43 3.614 25.785 -11.569
303 HB3 SER 43 2HB SER 43 4.024 24.534 -12.536
304 HG SER 43 HG SER 43 3.041 25.764 -13.927
305 H ASN 44 H ASN 44 -0.021 23.387 -11.379
306 HA ASN 44 HA ASN 44 0.288 20.964 -12.614
307 HB2 ASN 44 1HB ASN 44 -2.091 22.629 -12.343
308 HB3 ASN 44 2HB ASN 44 -2.199 21.126 -12.974
309 HD21 ASN 44 1HD2 ASN 44 -2.658 19.603 -9.943
310 HD22 ASN 44 2HD2 ASN 44 -2.929 19.610 -11.654
311 H SER 45 H SER 45 0.064 24.041 -13.979
312 HA SER 45 HA SER 45 -1.026 23.321 -16.430
313 HB2 SER 45 1HB SER 45 -0.116 25.509 -17.181
314 HB3 SER 45 2HB SER 45 -1.025 25.621 -15.830
315 HG SER 45 HG SER 45 0.711 25.839 -14.593
316 H CYS 46 H CYS 46 2.280 23.489 -15.353
317 HA CYS 46 HA CYS 46 3.074 22.545 -17.936
318 HB2 CYS 46 1HB CYS 46 5.128 23.429 -17.603
319 HB3 CYS 46 2HB CYS 46 4.097 24.531 -16.981
320 H LYS 47 H LYS 47 2.376 21.350 -15.031
321 HA LYS 47 HA LYS 47 2.788 19.463 -13.979
322 HB2 LYS 47 1HB LYS 47 3.981 18.337 -16.359
323 HB3 LYS 47 2HB LYS 47 3.438 17.467 -15.088
324 HG2 LYS 47 1HG LYS 47 1.730 19.002 -16.806
325 HG3 LYS 47 2HG LYS 47 1.958 17.392 -16.953
326 HD2 LYS 47 1HD LYS 47 1.019 17.091 -14.774
327 HD3 LYS 47 2HD LYS 47 0.728 18.696 -14.700
328 HE2 LYS 47 1HE LYS 47 -0.449 16.883 -16.588
329 HE3 LYS 47 2HE LYS 47 -1.232 17.588 -15.341
330 HZ1 LYS 47 1HZ LYS 47 -1.694 18.764 -17.365
331 HZ2 LYS 47 2HZ LYS 47 -0.114 19.028 -17.581
332 HZ3 LYS 47 3HZ LYS 47 -0.889 19.727 -16.346
333 H CYS 48 H CYS 48 4.706 21.530 -13.741
334 HA CYS 48 HA CYS 48 7.012 19.949 -13.096
335 HB2 CYS 48 1HB CYS 48 7.616 22.622 -13.364
336 HB3 CYS 48 2HB CYS 48 8.397 21.332 -13.989
337 H CYS 49 H CYS 49 8.321 20.644 -11.249
338 HA CYS 49 HA CYS 49 6.894 22.097 -9.234
339 HB2 CYS 49 1HB CYS 49 8.290 20.291 -8.699
340 HB3 CYS 49 2HB CYS 49 9.571 21.166 -9.210
341 H THR 50 H THR 50 7.132 24.387 -9.079
342 HA THR 50 HA THR 50 9.137 25.545 -10.772
343 HB THR 50 HB THR 50 7.449 27.343 -11.303
344 HG1 THR 50 HG1 THR 50 5.247 26.533 -10.941
345 HG21 THR 50 1HG2 THR 50 6.231 26.024 -12.912
346 HG22 THR 50 2HG2 THR 50 6.658 24.666 -12.146
347 HG23 THR 50 3HG2 THR 50 7.774 25.542 -12.921
348 H TRP 51 H TRP 51 9.624 27.909 -10.346
349 HA TRP 51 HA TRP 51 10.194 28.202 -7.659
350 HB2 TRP 51 1HB TRP 51 11.440 29.282 -9.482
351 HB3 TRP 51 2HB TRP 51 10.196 30.324 -9.663
352 HD1 TRP 51 HD1 TRP 51 11.837 29.437 -6.393
353 HE1 TRP 51 HE1 TRP 51 12.697 31.450 -5.192
354 HE3 TRP 51 HE3 TRP 51 10.872 32.788 -9.990
355 HZ2 TRP 51 HZ2 TRP 51 12.928 34.174 -5.812
356 HZ3 TRP 51 HZ3 TRP 51 11.429 35.103 -9.582
357 HH2 TRP 51 HH2 TRP 51 12.427 35.782 -7.501
358 H ASN 52 H ASN 52 9.462 29.563 -6.006
359 HA ASN 52 HA ASN 52 6.732 29.933 -5.953
360 HB2 ASN 52 1HB ASN 52 8.024 29.650 -3.957
361 HB3 ASN 52 2HB ASN 52 8.788 31.067 -4.232
362 HD21 ASN 52 1HD2 ASN 52 5.228 30.992 -2.424
363 HD22 ASN 52 2HD2 ASN 52 5.926 29.578 -3.141
364 H GLY 53 H GLY 53 9.210 32.104 -6.906
365 HA2 GLY 53 1HA GLY 53 8.771 33.858 -8.338
366 HA3 GLY 53 2HA GLY 53 7.188 33.838 -7.939
367 H LEU 54 H LEU 54 8.622 33.869 -5.056
368 HA LEU 54 HA LEU 54 8.044 36.528 -4.583
369 HB2 LEU 54 1HB LEU 54 8.127 34.786 -2.884
370 HB3 LEU 54 2HB LEU 54 9.756 34.885 -2.933
371 HG LEU 54 HG LEU 54 8.511 37.323 -2.367
372 HD11 LEU 54 1HD1 LEU 54 7.938 36.703 -0.066
373 HD12 LEU 54 2HD1 LEU 54 8.335 35.169 -0.387
374 HD13 LEU 54 3HD1 LEU 54 7.047 35.837 -1.101
375 HD21 LEU 54 1HD2 LEU 54 10.202 37.547 -0.728
376 HD22 LEU 54 2HD2 LEU 54 10.840 37.172 -2.166
377 HD23 LEU 54 3HD2 LEU 54 10.694 36.036 -1.024
378 H VAL 55 H VAL 55 9.056 38.379 -5.078
379 HA VAL 55 HA VAL 55 11.937 38.252 -5.347
380 HB VAL 55 HB VAL 55 10.171 40.093 -6.707
381 HG11 VAL 55 1HG1 VAL 55 12.129 40.862 -7.875
382 HG12 VAL 55 2HG1 VAL 55 13.049 39.874 -6.984
383 HG13 VAL 55 3HG1 VAL 55 12.290 41.121 -6.288
384 HG21 VAL 55 1HG2 VAL 55 10.784 38.946 -8.736
385 HG22 VAL 55 2HG2 VAL 55 10.059 37.920 -7.718
386 HG23 VAL 55 3HG2 VAL 55 11.668 37.898 -7.879
387 HA PRO 56 HA PRO 56 11.361 40.966 -1.981
388 HB2 PRO 56 1HB PRO 56 13.798 41.059 -0.891
389 HB3 PRO 56 2HB PRO 56 13.047 39.609 -0.906
390 HG2 PRO 56 1HG PRO 56 14.965 40.604 -2.757
391 HG3 PRO 56 2HG PRO 56 14.942 39.144 -2.026
392 HD2 PRO 56 1HD PRO 56 14.022 39.482 -4.466
393 HD3 PRO 56 2HD PRO 56 13.442 38.310 -3.487
394 H ARG 57 H ARG 57 13.035 41.942 -4.582
395 HA ARG 57 HA ARG 57 12.921 44.654 -3.673
396 HB2 ARG 57 1HB ARG 57 15.213 43.505 -5.048
397 HB3 ARG 57 2HB ARG 57 15.058 45.108 -4.776
398 HG2 ARG 57 1HG ARG 57 15.333 43.162 -2.705
399 HG3 ARG 57 2HG ARG 57 16.564 44.068 -3.281
400 HD2 ARG 57 1HD ARG 57 15.323 46.015 -2.581
401 HD3 ARG 57 2HD ARG 57 14.298 45.001 -1.814
402 HE ARG 57 HE ARG 57 17.002 44.609 -1.060
403 HH11 ARG 57 1HH1 ARG 57 14.113 46.458 -0.318
404 HH12 ARG 57 2HH1 ARG 57 14.636 46.783 1.301
405 HH21 ARG 57 1HH2 ARG 57 17.599 45.055 1.021
406 HH22 ARG 57 2HH2 ARG 57 16.576 46.002 2.049
Start of MODEL 15
1 H1 GLY 1 1H GLY 1 4.776 -6.925 -10.061
2 H2 GLY 1 2H GLY 1 5.283 -5.876 -8.940
3 H3 GLY 1 3H GLY 1 5.929 -5.851 -10.422
4 HA2 GLY 1 1HA GLY 1 3.857 -5.160 -11.322
5 HA3 GLY 1 2HA GLY 1 3.205 -5.186 -9.825
6 H SER 2 H SER 2 2.601 -2.917 -10.329
7 HA SER 2 HA SER 2 4.617 -1.157 -9.255
8 HB2 SER 2 1HB SER 2 4.708 -1.093 -11.787
9 HB3 SER 2 2HB SER 2 3.365 -0.176 -11.633
10 HG SER 2 HG SER 2 5.918 0.380 -10.914
11 HA PRO 3 HA PRO 3 0.871 0.144 -7.439
12 HB2 PRO 3 1HB PRO 3 1.600 2.959 -7.676
13 HB3 PRO 3 2HB PRO 3 1.176 2.192 -6.298
14 HG2 PRO 3 1HG PRO 3 3.596 2.778 -6.636
15 HG3 PRO 3 2HG PRO 3 3.239 1.305 -6.027
16 HD2 PRO 3 1HD PRO 3 3.935 1.942 -8.745
17 HD3 PRO 3 2HD PRO 3 4.507 0.709 -7.840
18 H THR 4 H THR 4 -1.217 0.523 -7.934
19 HA THR 4 HA THR 4 -1.788 1.007 -10.602
20 HB THR 4 HB THR 4 -4.153 1.202 -9.739
21 HG1 THR 4 HG1 THR 4 -3.609 1.971 -7.708
22 HG21 THR 4 1HG2 THR 4 -4.279 -1.127 -9.164
23 HG22 THR 4 2HG2 THR 4 -2.678 -1.176 -8.939
24 HG23 THR 4 3HG2 THR 4 -3.280 -0.966 -10.425
25 H PHE 5 H PHE 5 -1.289 2.997 -7.975
26 HA PHE 5 HA PHE 5 -2.593 5.287 -8.636
27 HB2 PHE 5 1HB PHE 5 -1.347 4.855 -6.576
28 HB3 PHE 5 2HB PHE 5 0.038 5.089 -7.409
29 HD1 PHE 5 HD1 PHE 5 0.889 7.294 -7.832
30 HD2 PHE 5 HD2 PHE 5 -2.853 6.766 -6.095
31 HE1 PHE 5 HE1 PHE 5 0.863 9.628 -7.184
32 HE2 PHE 5 HE2 PHE 5 -2.917 9.101 -5.512
33 HZ PHE 5 HZ PHE 5 -1.053 10.526 -6.046
34 H CYS 6 H CYS 6 0.391 4.091 -9.896
35 HA CYS 6 HA CYS 6 0.605 6.441 -11.527
36 HB2 CYS 6 1HB CYS 6 2.444 4.921 -10.192
37 HB3 CYS 6 2HB CYS 6 2.844 4.947 -11.775
38 H GLN 7 H GLN 7 -0.566 3.466 -11.831
39 HA GLN 7 HA GLN 7 0.480 2.747 -14.323
40 HB2 GLN 7 1HB GLN 7 -1.579 1.825 -12.636
41 HB3 GLN 7 2HB GLN 7 -1.690 1.392 -14.207
42 HG2 GLN 7 1HG GLN 7 0.438 0.341 -14.055
43 HG3 GLN 7 2HG GLN 7 0.517 0.749 -12.476
44 HE21 GLN 7 1HE2 GLN 7 -0.939 -2.184 -11.442
45 HE22 GLN 7 2HE2 GLN 7 0.227 -0.935 -11.160
46 H GLY 8 H GLY 8 -0.056 3.435 -16.350
47 HA2 GLY 8 1HA GLY 8 -1.397 4.347 -17.937
48 HA3 GLY 8 2HA GLY 8 -2.659 4.350 -16.899
49 H LYS 9 H LYS 9 0.198 5.901 -15.906
50 HA LYS 9 HA LYS 9 -1.059 8.466 -16.344
51 HB2 LYS 9 1HB LYS 9 0.426 7.538 -14.125
52 HB3 LYS 9 2HB LYS 9 0.594 9.117 -14.507
53 HG2 LYS 9 1HG LYS 9 -1.109 9.116 -13.017
54 HG3 LYS 9 2HG LYS 9 -1.873 9.200 -14.458
55 HD2 LYS 9 1HD LYS 9 -2.349 6.951 -14.413
56 HD3 LYS 9 2HD LYS 9 -1.400 6.728 -13.103
57 HE2 LYS 9 1HE LYS 9 -2.959 8.028 -11.825
58 HE3 LYS 9 2HE LYS 9 -3.935 8.069 -13.133
59 HZ1 LYS 9 1HZ LYS 9 -4.556 6.245 -11.709
60 HZ2 LYS 9 2HZ LYS 9 -3.062 5.637 -11.833
61 HZ3 LYS 9 3HZ LYS 9 -4.029 5.678 -13.128
62 H ALA 10 H ALA 10 0.111 10.200 -17.108
63 HA ALA 10 HA ALA 10 2.322 9.543 -18.726
64 HB1 ALA 10 1HB ALA 10 0.811 11.257 -19.457
65 HB2 ALA 10 2HB ALA 10 2.284 11.906 -19.308
66 HB3 ALA 10 3HB ALA 10 1.170 12.157 -18.163
67 H ASP 11 H ASP 11 4.502 10.482 -18.513
68 HA ASP 11 HA ASP 11 5.455 10.492 -15.905
69 HB2 ASP 11 1HB ASP 11 6.741 11.544 -18.273
70 HB3 ASP 11 2HB ASP 11 7.521 11.205 -16.879
71 H GLY 12 H GLY 12 6.003 12.188 -14.457
72 HA2 GLY 12 1HA GLY 12 6.347 14.705 -14.662
73 HA3 GLY 12 2HA GLY 12 4.789 14.706 -15.153
74 H LEU 13 H LEU 13 4.837 16.311 -13.257
75 HA LEU 13 HA LEU 13 4.610 14.952 -10.758
76 HB2 LEU 13 1HB LEU 13 4.590 17.776 -11.341
77 HB3 LEU 13 2HB LEU 13 4.476 17.185 -9.823
78 HG LEU 13 HG LEU 13 6.796 17.074 -11.484
79 HD11 LEU 13 1HD1 LEU 13 7.729 18.574 -9.814
80 HD12 LEU 13 2HD1 LEU 13 6.317 18.561 -9.026
81 HD13 LEU 13 3HD1 LEU 13 6.419 19.241 -10.489
82 HD21 LEU 13 1HD2 LEU 13 7.971 16.124 -9.643
83 HD22 LEU 13 2HD2 LEU 13 6.790 15.135 -10.135
84 HD23 LEU 13 3HD2 LEU 13 6.590 16.033 -8.806
85 H TYR 14 H TYR 14 2.775 15.098 -9.362
86 HA TYR 14 HA TYR 14 0.354 15.920 -10.674
87 HB2 TYR 14 1HB TYR 14 0.849 13.353 -9.422
88 HB3 TYR 14 2HB TYR 14 -0.682 13.869 -9.662
89 HD1 TYR 14 HD1 TYR 14 2.213 12.596 -11.245
90 HD2 TYR 14 HD2 TYR 14 -1.632 13.989 -11.943
91 HE1 TYR 14 HE1 TYR 14 2.327 11.760 -13.506
92 HE2 TYR 14 HE2 TYR 14 -1.537 13.127 -14.201
93 HH TYR 14 HH TYR 14 0.510 10.949 -15.303
94 HA PRO 15 HA PRO 15 -0.524 17.855 -6.934
95 HB2 PRO 15 1HB PRO 15 -3.178 18.184 -6.985
96 HB3 PRO 15 2HB PRO 15 -2.264 19.022 -8.047
97 HG2 PRO 15 1HG PRO 15 -3.623 16.557 -8.485
98 HG3 PRO 15 2HG PRO 15 -3.660 17.898 -9.417
99 HD2 PRO 15 1HD PRO 15 -2.070 15.956 -10.056
100 HD3 PRO 15 2HD PRO 15 -1.574 17.497 -10.274
101 H ASN 16 H ASN 16 -1.044 17.727 -4.855
102 HA ASN 16 HA ASN 16 -1.791 15.075 -4.050
103 HB2 ASN 16 1HB ASN 16 -0.085 15.228 -2.358
104 HB3 ASN 16 2HB ASN 16 0.585 15.485 -3.825
105 HD21 ASN 16 1HD2 ASN 16 1.097 18.122 -1.050
106 HD22 ASN 16 2HD2 ASN 16 0.673 16.456 -0.837
107 HA PRO 17 HA PRO 17 -4.510 17.074 -1.444
108 HB2 PRO 17 1HB PRO 17 -5.440 15.106 0.135
109 HB3 PRO 17 2HB PRO 17 -5.611 14.895 -1.475
110 HG2 PRO 17 1HG PRO 17 -3.481 13.933 0.184
111 HG3 PRO 17 2HG PRO 17 -4.387 13.066 -0.863
112 HD2 PRO 17 1HD PRO 17 -2.056 14.000 -1.583
113 HD3 PRO 17 2HD PRO 17 -3.266 13.862 -2.672
114 H ARG 18 H ARG 18 -1.810 15.985 0.189
115 HA ARG 18 HA ARG 18 -2.789 17.219 2.585
116 HB2 ARG 18 1HB ARG 18 -2.521 14.812 2.835
117 HB3 ARG 18 2HB ARG 18 -0.958 14.941 2.378
118 HG2 ARG 18 1HG ARG 18 -0.439 16.043 4.394
119 HG3 ARG 18 2HG ARG 18 -2.007 15.982 4.847
120 HD2 ARG 18 1HD ARG 18 -0.877 14.270 5.950
121 HD3 ARG 18 2HD ARG 18 -1.861 13.584 4.841
122 HE ARG 18 HE ARG 18 0.478 13.813 3.535
123 HH11 ARG 18 1HH1 ARG 18 -0.475 12.197 6.520
124 HH12 ARG 18 2HH1 ARG 18 0.762 10.996 6.355
125 HH21 ARG 18 1HH2 ARG 18 2.003 12.260 3.394
126 HH22 ARG 18 2HH2 ARG 18 2.144 11.033 4.609
127 H GLU 19 H GLU 19 0.295 16.451 1.209
128 HA GLU 19 HA GLU 19 1.657 18.061 2.976
129 HB2 GLU 19 1HB GLU 19 2.590 17.107 0.415
130 HB3 GLU 19 2HB GLU 19 3.573 17.685 1.584
131 HG2 GLU 19 1HG GLU 19 3.822 15.433 1.709
132 HG3 GLU 19 2HG GLU 19 2.828 15.796 2.953
133 H ARG 20 H ARG 20 2.842 20.050 2.708
134 HA ARG 20 HA ARG 20 1.446 21.839 0.989
135 HB2 ARG 20 1HB ARG 20 2.172 22.296 3.355
136 HB3 ARG 20 2HB ARG 20 3.643 22.596 2.712
137 HG2 ARG 20 1HG ARG 20 1.288 24.108 2.090
138 HG3 ARG 20 2HG ARG 20 2.418 24.582 3.170
139 HD2 ARG 20 1HD ARG 20 4.017 24.713 1.361
140 HD3 ARG 20 2HD ARG 20 2.809 24.378 0.315
141 HE ARG 20 HE ARG 20 1.928 26.487 0.544
142 HH11 ARG 20 1HH1 ARG 20 4.685 26.042 2.695
143 HH12 ARG 20 2HH1 ARG 20 4.793 27.736 3.038
144 HH21 ARG 20 1HH2 ARG 20 2.131 28.627 1.041
145 HH22 ARG 20 2HH2 ARG 20 3.373 29.172 2.118
146 H SER 21 H SER 21 4.829 21.337 1.591
147 HA SER 21 HA SER 21 5.419 22.448 -0.961
148 HB2 SER 21 1HB SER 21 7.319 21.790 1.170
149 HB3 SER 21 2HB SER 21 7.654 22.766 -0.096
150 HG SER 21 HG SER 21 6.322 24.308 0.682
151 H SER 22 H SER 22 4.461 19.709 -0.691
152 HA SER 22 HA SER 22 6.464 18.470 -2.328
153 HB2 SER 22 1HB SER 22 5.777 16.397 -0.824
154 HB3 SER 22 2HB SER 22 7.198 17.194 -0.707
155 HG SER 22 HG SER 22 4.925 17.778 0.737
156 H PHE 23 H PHE 23 5.545 16.406 -3.331
157 HA PHE 23 HA PHE 23 2.784 16.663 -3.992
158 HB2 PHE 23 1HB PHE 23 3.930 16.953 -6.416
159 HB3 PHE 23 2HB PHE 23 3.104 18.120 -5.628
160 HD1 PHE 23 HD1 PHE 23 4.266 20.006 -4.598
161 HD2 PHE 23 HD2 PHE 23 6.269 16.871 -6.395
162 HE1 PHE 23 HE1 PHE 23 6.330 21.251 -4.438
163 HE2 PHE 23 HE2 PHE 23 8.347 18.071 -6.241
164 HZ PHE 23 HZ PHE 23 8.378 20.267 -5.249
165 H TYR 24 H TYR 24 2.461 15.209 -6.161
166 HA TYR 24 HA TYR 24 3.843 12.755 -5.582
167 HB2 TYR 24 1HB TYR 24 1.504 13.243 -7.211
168 HB3 TYR 24 2HB TYR 24 2.184 11.764 -7.077
169 HD1 TYR 24 HD1 TYR 24 2.499 11.138 -4.397
170 HD2 TYR 24 HD2 TYR 24 -0.509 13.436 -6.097
171 HE1 TYR 24 HE1 TYR 24 1.041 10.595 -2.553
172 HE2 TYR 24 HE2 TYR 24 -1.978 12.868 -4.266
173 HH TYR 24 HH TYR 24 -2.322 11.296 -2.547
174 H SER 25 H SER 25 4.732 11.511 -7.422
175 HA SER 25 HA SER 25 5.233 13.015 -9.816
176 HB2 SER 25 1HB SER 25 7.122 13.482 -8.394
177 HB3 SER 25 2HB SER 25 7.386 11.879 -8.227
178 HG SER 25 HG SER 25 8.785 12.589 -9.707
179 H CYS 26 H CYS 26 5.540 11.715 -11.651
180 HA CYS 26 HA CYS 26 5.470 8.878 -11.164
181 HB2 CYS 26 1HB CYS 26 3.355 9.990 -11.879
182 HB3 CYS 26 2HB CYS 26 4.055 9.979 -13.354
183 H ALA 27 H ALA 27 6.996 7.739 -12.259
184 HA ALA 27 HA ALA 27 8.003 8.838 -14.710
185 HB1 ALA 27 1HB ALA 27 9.557 9.689 -13.087
186 HB2 ALA 27 2HB ALA 27 10.312 8.591 -14.003
187 HB3 ALA 27 3HB ALA 27 9.808 8.197 -12.518
188 H ALA 28 H ALA 28 8.016 7.254 -16.230
189 HA ALA 28 HA ALA 28 7.815 5.223 -17.056
190 HB1 ALA 28 1HB ALA 28 10.184 5.075 -16.481
191 HB2 ALA 28 2HB ALA 28 9.529 3.598 -16.446
192 HB3 ALA 28 3HB ALA 28 9.799 4.395 -15.066
193 H GLY 29 H GLY 29 5.813 5.813 -15.186
194 HA2 GLY 29 1HA GLY 29 4.054 4.658 -14.350
195 HA3 GLY 29 2HA GLY 29 4.736 3.249 -14.815
196 H ARG 30 H ARG 30 6.758 5.053 -12.883
197 HA ARG 30 HA ARG 30 6.155 3.408 -10.587
198 HB2 ARG 30 1HB ARG 30 8.609 4.869 -11.030
199 HB3 ARG 30 2HB ARG 30 8.371 3.733 -9.882
200 HG2 ARG 30 1HG ARG 30 8.507 3.172 -12.700
201 HG3 ARG 30 2HG ARG 30 9.729 2.911 -11.648
202 HD2 ARG 30 1HD ARG 30 8.380 1.318 -10.508
203 HD3 ARG 30 2HD ARG 30 7.195 1.555 -11.606
204 HE ARG 30 HE ARG 30 9.430 0.862 -13.032
205 HH11 ARG 30 1HH1 ARG 30 9.794 -1.185 -13.776
206 HH12 ARG 30 2HH1 ARG 30 8.996 -2.543 -13.056
207 HH21 ARG 30 1HH2 ARG 30 7.262 -0.678 -10.730
208 HH22 ARG 30 2HH2 ARG 30 7.581 -2.262 -11.355
209 H LEU 31 H LEU 31 5.668 4.356 -8.593
210 HA LEU 31 HA LEU 31 5.099 7.133 -8.708
211 HB2 LEU 31 1HB LEU 31 3.478 5.791 -7.666
212 HB3 LEU 31 2HB LEU 31 4.596 5.148 -6.663
213 HG LEU 31 HG LEU 31 4.698 7.187 -5.460
214 HD11 LEU 31 1HD1 LEU 31 3.200 8.978 -5.877
215 HD12 LEU 31 2HD1 LEU 31 2.659 8.228 -7.203
216 HD13 LEU 31 3HD1 LEU 31 4.185 8.759 -7.140
217 HD21 LEU 31 1HD2 LEU 31 2.498 7.034 -4.450
218 HD22 LEU 31 2HD2 LEU 31 3.079 5.551 -4.732
219 HD23 LEU 31 3HD2 LEU 31 1.974 6.190 -5.726
220 H PHE 32 H PHE 32 6.375 8.736 -8.024
221 HA PHE 32 HA PHE 32 8.219 8.142 -5.860
222 HB2 PHE 32 1HB PHE 32 8.585 10.013 -7.996
223 HB3 PHE 32 2HB PHE 32 9.496 10.044 -6.641
224 HD1 PHE 32 HD1 PHE 32 8.643 7.941 -9.439
225 HD2 PHE 32 HD2 PHE 32 11.427 8.688 -6.449
226 HE1 PHE 32 HE1 PHE 32 10.147 6.360 -10.464
227 HE2 PHE 32 HE2 PHE 32 12.938 7.085 -7.442
228 HZ PHE 32 HZ PHE 32 12.303 5.929 -9.467
229 H GLN 33 H GLN 33 7.911 9.521 -3.995
230 HA GLN 33 HA GLN 33 5.894 11.645 -4.298
231 HB2 GLN 33 1HB GLN 33 6.519 10.191 -1.935
232 HB3 GLN 33 2HB GLN 33 5.427 11.400 -2.051
233 HG2 GLN 33 1HG GLN 33 4.073 10.054 -3.501
234 HG3 GLN 33 2HG GLN 33 5.174 8.850 -3.426
235 HE21 GLN 33 1HE2 GLN 33 4.334 7.849 -0.124
236 HE22 GLN 33 2HE2 GLN 33 5.721 8.098 -1.131
237 H GLN 34 H GLN 34 6.779 13.720 -4.185
238 HA GLN 34 HA GLN 34 9.445 13.826 -3.195
239 HB2 GLN 34 1HB GLN 34 8.643 14.782 -5.850
240 HB3 GLN 34 2HB GLN 34 10.133 15.066 -5.246
241 HG2 GLN 34 1HG GLN 34 10.511 12.684 -5.247
242 HG3 GLN 34 2HG GLN 34 9.087 12.507 -6.026
243 HE21 GLN 34 1HE2 GLN 34 12.355 13.149 -8.098
244 HE22 GLN 34 2HE2 GLN 34 12.306 12.709 -6.423
245 H SER 35 H SER 35 10.448 15.909 -2.900
246 HA SER 35 HA SER 35 8.622 18.195 -2.972
247 HB2 SER 35 1HB SER 35 10.009 19.207 -1.326
248 HB3 SER 35 2HB SER 35 9.283 17.863 -0.748
249 HG SER 35 HG SER 35 11.141 16.716 -1.012
250 H CYS 36 H CYS 36 9.904 20.141 -3.937
251 HA CYS 36 HA CYS 36 12.028 19.176 -5.650
252 HB2 CYS 36 1HB CYS 36 10.469 21.522 -5.786
253 HB3 CYS 36 2HB CYS 36 11.824 21.334 -6.678
254 HA PRO 37 HA PRO 37 14.342 20.983 -2.536
255 HB2 PRO 37 1HB PRO 37 16.906 20.653 -3.341
256 HB3 PRO 37 2HB PRO 37 16.051 19.359 -2.829
257 HG2 PRO 37 1HG PRO 37 16.456 20.226 -5.524
258 HG3 PRO 37 2HG PRO 37 16.612 18.713 -4.928
259 HD2 PRO 37 1HD PRO 37 14.428 19.389 -6.150
260 HD3 PRO 37 2HD PRO 37 14.352 18.383 -4.865
261 H THR 38 H THR 38 15.754 22.160 -5.541
262 HA THR 38 HA THR 38 16.415 24.475 -4.098
263 HB THR 38 HB THR 38 17.054 25.050 -6.654
264 HG1 THR 38 HG1 THR 38 16.964 22.295 -6.415
265 HG21 THR 38 1HG2 THR 38 19.191 24.162 -6.140
266 HG22 THR 38 2HG2 THR 38 18.561 23.300 -4.925
267 HG23 THR 38 3HG2 THR 38 18.618 24.913 -4.827
268 H GLY 39 H GLY 39 14.447 25.270 -3.410
269 HA2 GLY 39 1HA GLY 39 13.137 27.073 -3.530
270 HA3 GLY 39 2HA GLY 39 13.918 27.534 -4.888
271 H LEU 40 H LEU 40 12.610 24.710 -5.781
272 HA LEU 40 HA LEU 40 10.875 26.218 -7.384
273 HB2 LEU 40 1HB LEU 40 11.220 23.343 -7.524
274 HB3 LEU 40 2HB LEU 40 10.651 24.279 -8.735
275 HG LEU 40 HG LEU 40 13.383 24.172 -7.882
276 HD11 LEU 40 1HD1 LEU 40 13.785 23.101 -10.019
277 HD12 LEU 40 2HD1 LEU 40 12.200 23.144 -10.332
278 HD13 LEU 40 3HD1 LEU 40 12.762 22.216 -9.133
279 HD21 LEU 40 1HD2 LEU 40 13.922 25.553 -9.751
280 HD22 LEU 40 2HD2 LEU 40 12.954 26.339 -8.721
281 HD23 LEU 40 3HD2 LEU 40 12.349 25.717 -10.085
282 H VAL 41 H VAL 41 8.674 25.749 -7.981
283 HA VAL 41 HA VAL 41 7.236 24.454 -5.865
284 HB VAL 41 HB VAL 41 5.370 25.999 -6.286
285 HG11 VAL 41 1HG1 VAL 41 6.369 27.862 -5.061
286 HG12 VAL 41 2HG1 VAL 41 7.843 27.292 -5.402
287 HG13 VAL 41 3HG1 VAL 41 6.862 26.461 -4.421
288 HG21 VAL 41 1HG2 VAL 41 5.783 28.037 -7.519
289 HG22 VAL 41 2HG2 VAL 41 5.941 26.760 -8.498
290 HG23 VAL 41 3HG2 VAL 41 7.256 27.503 -7.919
291 H PHE 42 H PHE 42 5.299 23.249 -6.533
292 HA PHE 42 HA PHE 42 5.555 22.096 -9.110
293 HB2 PHE 42 1HB PHE 42 4.805 20.768 -7.448
294 HB3 PHE 42 2HB PHE 42 3.586 21.796 -7.098
295 HD1 PHE 42 HD1 PHE 42 4.532 20.517 -10.371
296 HD2 PHE 42 HD2 PHE 42 1.570 20.496 -7.394
297 HE1 PHE 42 HE1 PHE 42 3.022 19.267 -11.786
298 HE2 PHE 42 HE2 PHE 42 0.122 19.276 -8.809
299 HZ PHE 42 HZ PHE 42 0.909 18.675 -11.039
300 H SER 43 H SER 43 4.783 22.835 -11.016
301 HA SER 43 HA SER 43 2.505 24.601 -10.938
302 HB2 SER 43 1HB SER 43 4.378 25.608 -12.004
303 HB3 SER 43 2HB SER 43 4.478 24.356 -13.047
304 HG SER 43 HG SER 43 3.375 25.735 -14.203
305 H ASN 44 H ASN 44 0.650 23.562 -11.203
306 HA ASN 44 HA ASN 44 0.578 21.033 -12.269
307 HB2 ASN 44 1HB ASN 44 -1.041 21.960 -10.649
308 HB3 ASN 44 2HB ASN 44 -1.756 22.734 -11.897
309 HD21 ASN 44 1HD2 ASN 44 -4.001 20.123 -12.111
310 HD22 ASN 44 2HD2 ASN 44 -3.757 21.814 -11.831
311 H SER 45 H SER 45 0.556 23.918 -13.941
312 HA SER 45 HA SER 45 -0.966 23.065 -16.120
313 HB2 SER 45 1HB SER 45 0.154 24.954 -17.287
314 HB3 SER 45 2HB SER 45 -0.606 25.387 -15.908
315 HG SER 45 HG SER 45 1.292 25.426 -14.830
316 H CYS 46 H CYS 46 2.472 23.110 -15.511
317 HA CYS 46 HA CYS 46 2.956 21.760 -17.954
318 HB2 CYS 46 1HB CYS 46 5.253 22.181 -17.530
319 HB3 CYS 46 2HB CYS 46 4.376 23.550 -17.383
320 H LYS 47 H LYS 47 2.311 20.773 -14.958
321 HA LYS 47 HA LYS 47 2.614 18.855 -13.819
322 HB2 LYS 47 1HB LYS 47 3.103 17.754 -16.406
323 HB3 LYS 47 2HB LYS 47 3.284 16.810 -15.086
324 HG2 LYS 47 1HG LYS 47 1.141 16.490 -16.071
325 HG3 LYS 47 2HG LYS 47 0.991 17.084 -14.557
326 HD2 LYS 47 1HD LYS 47 0.539 19.185 -15.346
327 HD3 LYS 47 2HD LYS 47 0.939 18.756 -16.870
328 HE2 LYS 47 1HE LYS 47 -0.982 17.431 -17.029
329 HE3 LYS 47 2HE LYS 47 -1.365 17.766 -15.477
330 HZ1 LYS 47 1HZ LYS 47 -2.563 19.225 -16.946
331 HZ2 LYS 47 2HZ LYS 47 -1.165 19.752 -17.566
332 HZ3 LYS 47 3HZ LYS 47 -1.544 20.083 -16.029
333 H CYS 48 H CYS 48 4.617 20.776 -13.816
334 HA CYS 48 HA CYS 48 6.986 19.239 -13.400
335 HB2 CYS 48 1HB CYS 48 8.272 20.345 -14.848
336 HB3 CYS 48 2HB CYS 48 6.890 20.077 -15.675
337 H CYS 49 H CYS 49 8.812 20.564 -12.424
338 HA CYS 49 HA CYS 49 7.648 22.332 -10.485
339 HB2 CYS 49 1HB CYS 49 9.685 20.563 -10.456
340 HB3 CYS 49 2HB CYS 49 10.287 22.032 -10.075
341 H THR 50 H THR 50 7.956 24.531 -10.495
342 HA THR 50 HA THR 50 9.828 25.507 -12.435
343 HB THR 50 HB THR 50 8.226 27.406 -12.806
344 HG1 THR 50 HG1 THR 50 6.030 26.733 -12.063
345 HG21 THR 50 1HG2 THR 50 6.664 26.175 -14.131
346 HG22 THR 50 2HG2 THR 50 7.082 24.804 -13.381
347 HG23 THR 50 3HG2 THR 50 8.138 25.548 -14.354
348 H TRP 51 H TRP 51 10.901 27.547 -12.003
349 HA TRP 51 HA TRP 51 11.233 28.129 -9.282
350 HB2 TRP 51 1HB TRP 51 12.921 28.553 -10.963
351 HB3 TRP 51 2HB TRP 51 12.012 29.797 -11.504
352 HD1 TRP 51 HD1 TRP 51 13.645 28.835 -8.278
353 HE1 TRP 51 HE1 TRP 51 14.479 30.832 -7.011
354 HE3 TRP 51 HE3 TRP 51 12.013 32.311 -11.473
355 HZ2 TRP 51 HZ2 TRP 51 14.362 33.622 -7.424
356 HZ3 TRP 51 HZ3 TRP 51 12.437 34.646 -10.984
357 HH2 TRP 51 HH2 TRP 51 13.590 35.283 -8.960
358 H ASN 52 H ASN 52 10.397 29.917 -8.046
359 HA ASN 52 HA ASN 52 7.918 30.802 -9.011
360 HB2 ASN 52 1HB ASN 52 8.157 30.350 -6.681
361 HB3 ASN 52 2HB ASN 52 9.241 31.564 -6.548
362 HD21 ASN 52 1HD2 ASN 52 6.680 33.575 -5.400
363 HD22 ASN 52 2HD2 ASN 52 8.168 32.774 -5.020
364 H GLY 53 H GLY 53 8.438 32.013 -10.884
365 HA2 GLY 53 1HA GLY 53 9.938 34.414 -10.501
366 HA3 GLY 53 2HA GLY 53 9.403 33.826 -11.928
367 H LEU 54 H LEU 54 7.378 34.292 -9.166
368 HA LEU 54 HA LEU 54 5.595 35.843 -10.667
369 HB2 LEU 54 1HB LEU 54 4.834 34.400 -8.960
370 HB3 LEU 54 2HB LEU 54 5.573 35.332 -7.841
371 HG LEU 54 HG LEU 54 4.001 36.977 -8.014
372 HD11 LEU 54 1HD1 LEU 54 2.305 37.151 -9.672
373 HD12 LEU 54 2HD1 LEU 54 2.897 35.853 -10.436
374 HD13 LEU 54 3HD1 LEU 54 3.763 37.217 -10.369
375 HD21 LEU 54 1HD2 LEU 54 1.954 35.709 -7.670
376 HD22 LEU 54 2HD2 LEU 54 3.191 34.971 -6.935
377 HD23 LEU 54 3HD2 LEU 54 2.652 34.422 -8.357
378 H VAL 55 H VAL 55 6.127 37.867 -11.303
379 HA VAL 55 HA VAL 55 7.644 39.544 -9.618
380 HB VAL 55 HB VAL 55 6.317 40.241 -12.110
381 HG11 VAL 55 1HG1 VAL 55 7.762 42.159 -12.195
382 HG12 VAL 55 2HG1 VAL 55 8.375 41.768 -10.751
383 HG13 VAL 55 3HG1 VAL 55 6.830 42.228 -10.876
384 HG21 VAL 55 1HG2 VAL 55 8.490 39.936 -13.146
385 HG22 VAL 55 2HG2 VAL 55 8.012 38.551 -12.462
386 HG23 VAL 55 3HG2 VAL 55 9.107 39.482 -11.722
387 HA PRO 56 HA PRO 56 3.918 40.924 -7.744
388 HB2 PRO 56 1HB PRO 56 4.834 42.113 -5.559
389 HB3 PRO 56 2HB PRO 56 5.107 40.509 -5.692
390 HG2 PRO 56 1HG PRO 56 6.881 42.641 -6.356
391 HG3 PRO 56 2HG PRO 56 7.204 41.318 -5.454
392 HD2 PRO 56 1HD PRO 56 7.825 41.409 -8.017
393 HD3 PRO 56 2HD PRO 56 7.465 39.994 -7.285
394 H ARG 57 H ARG 57 5.696 42.742 -9.531
395 HA ARG 57 HA ARG 57 4.278 45.155 -8.875
396 HB2 ARG 57 1HB ARG 57 6.949 44.892 -9.973
397 HB3 ARG 57 2HB ARG 57 6.186 46.334 -9.904
398 HG2 ARG 57 1HG ARG 57 6.739 44.831 -7.536
399 HG3 ARG 57 2HG ARG 57 7.820 45.894 -8.142
400 HD2 ARG 57 1HD ARG 57 6.800 47.342 -6.823
401 HD3 ARG 57 2HD ARG 57 5.691 47.402 -8.021
402 HE ARG 57 HE ARG 57 5.404 45.859 -5.589
403 HH11 ARG 57 1HH1 ARG 57 3.838 47.477 -8.311
404 HH12 ARG 57 2HH1 ARG 57 2.257 47.211 -7.655
405 HH21 ARG 57 1HH2 ARG 57 3.362 45.587 -4.829
406 HH22 ARG 57 2HH2 ARG 57 1.995 46.163 -5.724
Start of MODEL 16
1 H1 GLY 1 1H GLY 1 1.503 -5.419 -2.844
2 H2 GLY 1 2H GLY 1 0.971 -3.938 -3.217
3 H3 GLY 1 3H GLY 1 2.376 -4.120 -2.437
4 HA2 GLY 1 1HA GLY 1 3.292 -5.169 -4.315
5 HA3 GLY 1 2HA GLY 1 1.873 -4.985 -5.102
6 H SER 2 H SER 2 3.428 -3.967 -6.714
7 HA SER 2 HA SER 2 4.441 -1.452 -6.105
8 HB2 SER 2 1HB SER 2 5.148 -2.623 -8.089
9 HB3 SER 2 2HB SER 2 3.660 -2.437 -8.736
10 HG SER 2 HG SER 2 4.808 -0.862 -9.636
11 HA PRO 3 HA PRO 3 0.785 0.804 -6.093
12 HB2 PRO 3 1HB PRO 3 2.285 3.203 -6.823
13 HB3 PRO 3 2HB PRO 3 1.362 3.029 -5.487
14 HG2 PRO 3 1HG PRO 3 3.844 3.066 -5.248
15 HG3 PRO 3 2HG PRO 3 2.980 2.003 -4.359
16 HD2 PRO 3 1HD PRO 3 4.453 1.466 -6.765
17 HD3 PRO 3 2HD PRO 3 4.439 0.582 -5.392
18 H THR 4 H THR 4 -0.761 0.559 -7.440
19 HA THR 4 HA THR 4 -0.331 0.923 -10.178
20 HB THR 4 HB THR 4 -2.800 0.519 -10.296
21 HG1 THR 4 HG1 THR 4 -3.925 0.463 -8.548
22 HG21 THR 4 1HG2 THR 4 -2.612 -1.801 -9.640
23 HG22 THR 4 2HG2 THR 4 -1.265 -1.470 -8.809
24 HG23 THR 4 3HG2 THR 4 -1.262 -1.378 -10.423
25 H PHE 5 H PHE 5 -0.775 3.002 -7.776
26 HA PHE 5 HA PHE 5 -2.370 5.015 -8.722
27 HB2 PHE 5 1HB PHE 5 -1.402 4.962 -6.541
28 HB3 PHE 5 2HB PHE 5 0.091 5.117 -7.184
29 HD1 PHE 5 HD1 PHE 5 0.954 7.265 -7.865
30 HD2 PHE 5 HD2 PHE 5 -2.888 6.937 -6.326
31 HE1 PHE 5 HE1 PHE 5 0.915 9.626 -7.499
32 HE2 PHE 5 HE2 PHE 5 -2.892 9.308 -5.858
33 HZ PHE 5 HZ PHE 5 -0.971 10.654 -6.473
34 H CYS 6 H CYS 6 0.797 4.147 -9.726
35 HA CYS 6 HA CYS 6 0.780 6.383 -11.506
36 HB2 CYS 6 1HB CYS 6 2.634 6.290 -9.991
37 HB3 CYS 6 2HB CYS 6 3.041 4.829 -10.597
38 H GLN 7 H GLN 7 0.621 3.072 -11.472
39 HA GLN 7 HA GLN 7 1.651 2.570 -14.029
40 HB2 GLN 7 1HB GLN 7 -0.224 1.120 -12.438
41 HB3 GLN 7 2HB GLN 7 0.348 0.556 -13.860
42 HG2 GLN 7 1HG GLN 7 2.549 0.518 -12.956
43 HG3 GLN 7 2HG GLN 7 1.971 1.073 -11.533
44 HE21 GLN 7 1HE2 GLN 7 1.872 -2.150 -10.337
45 HE22 GLN 7 2HE2 GLN 7 2.482 -0.539 -10.152
46 H GLY 8 H GLY 8 0.959 3.110 -15.986
47 HA2 GLY 8 1HA GLY 8 -0.622 3.436 -17.596
48 HA3 GLY 8 2HA GLY 8 -1.822 3.363 -16.490
49 H LYS 9 H LYS 9 0.532 5.470 -15.521
50 HA LYS 9 HA LYS 9 -1.019 7.739 -16.422
51 HB2 LYS 9 1HB LYS 9 0.505 7.319 -14.067
52 HB3 LYS 9 2HB LYS 9 0.503 8.844 -14.653
53 HG2 LYS 9 1HG LYS 9 -1.158 8.773 -13.143
54 HG3 LYS 9 2HG LYS 9 -1.888 8.750 -14.603
55 HD2 LYS 9 1HD LYS 9 -2.354 6.476 -14.420
56 HD3 LYS 9 2HD LYS 9 -1.398 6.331 -13.104
57 HE2 LYS 9 1HE LYS 9 -3.636 6.334 -12.392
58 HE3 LYS 9 2HE LYS 9 -2.939 7.721 -11.884
59 HZ1 LYS 9 1HZ LYS 9 -5.070 8.170 -12.816
60 HZ2 LYS 9 2HZ LYS 9 -4.612 7.500 -14.214
61 HZ3 LYS 9 3HZ LYS 9 -3.922 8.874 -13.712
62 H ALA 10 H ALA 10 -0.042 9.528 -17.403
63 HA ALA 10 HA ALA 10 2.330 8.953 -18.808
64 HB1 ALA 10 1HB ALA 10 0.750 10.441 -19.810
65 HB2 ALA 10 2HB ALA 10 2.154 11.223 -19.636
66 HB3 ALA 10 3HB ALA 10 0.941 11.498 -18.602
67 H ASP 11 H ASP 11 4.452 9.912 -18.476
68 HA ASP 11 HA ASP 11 5.078 10.196 -15.803
69 HB2 ASP 11 1HB ASP 11 6.606 10.673 -18.162
70 HB3 ASP 11 2HB ASP 11 7.213 11.171 -16.730
71 H GLY 12 H GLY 12 5.728 12.145 -14.606
72 HA2 GLY 12 1HA GLY 12 5.761 14.662 -15.075
73 HA3 GLY 12 2HA GLY 12 4.195 14.426 -15.476
74 H LEU 13 H LEU 13 4.278 16.177 -13.616
75 HA LEU 13 HA LEU 13 4.283 14.777 -11.128
76 HB2 LEU 13 1HB LEU 13 4.170 17.652 -11.520
77 HB3 LEU 13 2HB LEU 13 4.448 16.931 -10.082
78 HG LEU 13 HG LEU 13 6.273 17.164 -12.260
79 HD11 LEU 13 1HD1 LEU 13 7.594 18.353 -10.634
80 HD12 LEU 13 2HD1 LEU 13 6.432 18.122 -9.533
81 HD13 LEU 13 3HD1 LEU 13 6.154 19.064 -10.817
82 HD21 LEU 13 1HD2 LEU 13 7.888 15.938 -11.001
83 HD22 LEU 13 2HD2 LEU 13 6.624 14.997 -11.364
84 HD23 LEU 13 3HD2 LEU 13 6.772 15.615 -9.877
85 H TYR 14 H TYR 14 2.646 14.890 -9.521
86 HA TYR 14 HA TYR 14 0.178 16.072 -10.441
87 HB2 TYR 14 1HB TYR 14 0.279 13.468 -9.207
88 HB3 TYR 14 2HB TYR 14 -1.093 14.240 -9.640
89 HD1 TYR 14 HD1 TYR 14 1.710 12.420 -10.887
90 HD2 TYR 14 HD2 TYR 14 -1.769 14.366 -12.006
91 HE1 TYR 14 HE1 TYR 14 1.886 11.425 -13.083
92 HE2 TYR 14 HE2 TYR 14 -1.631 13.378 -14.209
93 HH TYR 14 HH TYR 14 0.265 10.824 -15.058
94 HA PRO 15 HA PRO 15 0.587 17.802 -6.525
95 HB2 PRO 15 1HB PRO 15 -1.823 18.790 -5.921
96 HB3 PRO 15 2HB PRO 15 -0.985 19.462 -7.151
97 HG2 PRO 15 1HG PRO 15 -3.019 17.524 -7.275
98 HG3 PRO 15 2HG PRO 15 -2.878 18.905 -8.135
99 HD2 PRO 15 1HD PRO 15 -2.098 16.638 -9.191
100 HD3 PRO 15 2HD PRO 15 -1.276 18.009 -9.525
101 H ASN 16 H ASN 16 0.603 17.528 -4.357
102 HA ASN 16 HA ASN 16 -0.741 15.165 -3.487
103 HB2 ASN 16 1HB ASN 16 1.613 15.505 -2.997
104 HB3 ASN 16 2HB ASN 16 1.161 16.674 -1.951
105 HD21 ASN 16 1HD2 ASN 16 1.563 13.125 -0.512
106 HD22 ASN 16 2HD2 ASN 16 2.408 13.847 -1.841
107 HA PRO 17 HA PRO 17 -3.534 18.008 -1.604
108 HB2 PRO 17 1HB PRO 17 -5.576 16.424 -0.979
109 HB3 PRO 17 2HB PRO 17 -5.262 16.634 -2.568
110 HG2 PRO 17 1HG PRO 17 -4.349 14.485 -0.891
111 HG3 PRO 17 2HG PRO 17 -5.116 14.355 -2.327
112 HD2 PRO 17 1HD PRO 17 -2.521 14.226 -2.217
113 HD3 PRO 17 2HD PRO 17 -3.251 14.917 -3.504
114 H ARG 18 H ARG 18 -2.053 15.556 0.061
115 HA ARG 18 HA ARG 18 -3.189 16.300 2.542
116 HB2 ARG 18 1HB ARG 18 -2.511 13.984 2.079
117 HB3 ARG 18 2HB ARG 18 -0.955 14.479 2.077
118 HG2 ARG 18 1HG ARG 18 -1.382 15.144 4.428
119 HG3 ARG 18 2HG ARG 18 -2.683 14.162 4.321
120 HD2 ARG 18 1HD ARG 18 -1.118 12.408 3.593
121 HD3 ARG 18 2HD ARG 18 0.077 13.400 4.099
122 HE ARG 18 HE ARG 18 -1.694 11.885 5.745
123 HH11 ARG 18 1HH1 ARG 18 -1.208 11.679 7.870
124 HH12 ARG 18 2HH1 ARG 18 -0.028 12.700 8.622
125 HH21 ARG 18 1HH2 ARG 18 0.784 14.434 5.814
126 HH22 ARG 18 2HH2 ARG 18 1.054 14.197 7.508
127 H GLU 19 H GLU 19 -0.172 16.586 0.916
128 HA GLU 19 HA GLU 19 0.945 18.005 3.123
129 HB2 GLU 19 1HB GLU 19 2.213 16.993 0.745
130 HB3 GLU 19 2HB GLU 19 3.039 17.771 1.919
131 HG2 GLU 19 1HG GLU 19 1.695 15.248 2.249
132 HG3 GLU 19 2HG GLU 19 3.314 15.441 2.159
133 H ARG 20 H ARG 20 2.199 19.978 2.911
134 HA ARG 20 HA ARG 20 0.788 21.775 1.389
135 HB2 ARG 20 1HB ARG 20 1.993 22.297 3.550
136 HB3 ARG 20 2HB ARG 20 3.393 22.267 2.710
137 HG2 ARG 20 1HG ARG 20 2.938 24.450 2.994
138 HG3 ARG 20 2HG ARG 20 2.509 24.145 1.448
139 HD2 ARG 20 1HD ARG 20 0.258 23.956 2.099
140 HD3 ARG 20 2HD ARG 20 0.677 24.229 3.654
141 HE ARG 20 HE ARG 20 1.517 26.388 2.108
142 HH11 ARG 20 1HH1 ARG 20 -1.402 24.986 3.424
143 HH12 ARG 20 2HH1 ARG 20 -2.239 26.502 3.460
144 HH21 ARG 20 1HH2 ARG 20 0.393 28.310 2.120
145 HH22 ARG 20 2HH2 ARG 20 -1.228 28.374 2.725
146 H SER 21 H SER 21 3.942 20.517 0.914
147 HA SER 21 HA SER 21 4.149 21.982 -1.542
148 HB2 SER 21 1HB SER 21 6.401 21.690 0.331
149 HB3 SER 21 2HB SER 21 6.359 22.742 -0.917
150 HG SER 21 HG SER 21 5.158 24.089 0.146
151 H SER 22 H SER 22 3.720 19.132 -0.992
152 HA SER 22 HA SER 22 6.056 18.165 -2.389
153 HB2 SER 22 1HB SER 22 5.723 16.018 -1.531
154 HB3 SER 22 2HB SER 22 5.635 17.053 -0.270
155 HG SER 22 HG SER 22 3.297 17.004 -0.788
156 H PHE 23 H PHE 23 5.680 16.394 -3.968
157 HA PHE 23 HA PHE 23 3.071 16.531 -5.133
158 HB2 PHE 23 1HB PHE 23 4.189 16.467 -7.368
159 HB3 PHE 23 2HB PHE 23 4.330 17.895 -6.588
160 HD1 PHE 23 HD1 PHE 23 6.446 18.832 -6.209
161 HD2 PHE 23 HD2 PHE 23 6.116 14.837 -7.256
162 HE1 PHE 23 HE1 PHE 23 8.823 18.710 -6.461
163 HE2 PHE 23 HE2 PHE 23 8.524 14.703 -7.492
164 HZ PHE 23 HZ PHE 23 9.866 16.642 -7.120
165 H TYR 24 H TYR 24 2.603 14.758 -6.619
166 HA TYR 24 HA TYR 24 3.964 12.313 -5.940
167 HB2 TYR 24 1HB TYR 24 1.633 12.777 -7.535
168 HB3 TYR 24 2HB TYR 24 2.279 11.300 -7.270
169 HD1 TYR 24 HD1 TYR 24 2.478 10.606 -4.728
170 HD2 TYR 24 HD2 TYR 24 -0.128 13.512 -6.177
171 HE1 TYR 24 HE1 TYR 24 1.077 10.304 -2.795
172 HE2 TYR 24 HE2 TYR 24 -1.538 13.198 -4.240
173 HH TYR 24 HH TYR 24 -2.067 11.503 -2.509
174 H SER 25 H SER 25 5.231 11.307 -7.686
175 HA SER 25 HA SER 25 5.430 12.829 -10.123
176 HB2 SER 25 1HB SER 25 7.347 13.469 -8.853
177 HB3 SER 25 2HB SER 25 7.725 11.902 -8.591
178 HG SER 25 HG SER 25 9.020 12.545 -10.168
179 H CYS 26 H CYS 26 5.549 11.561 -11.979
180 HA CYS 26 HA CYS 26 5.706 8.722 -11.501
181 HB2 CYS 26 1HB CYS 26 4.180 10.251 -13.287
182 HB3 CYS 26 2HB CYS 26 4.724 8.823 -13.863
183 H ALA 27 H ALA 27 7.471 7.685 -12.249
184 HA ALA 27 HA ALA 27 8.899 8.800 -14.514
185 HB1 ALA 27 1HB ALA 27 10.159 9.456 -12.541
186 HB2 ALA 27 2HB ALA 27 11.024 8.377 -13.379
187 HB3 ALA 27 3HB ALA 27 10.222 7.915 -12.053
188 H ALA 28 H ALA 28 8.771 7.372 -16.135
189 HA ALA 28 HA ALA 28 8.519 5.411 -17.146
190 HB1 ALA 28 1HB ALA 28 10.845 5.060 -16.503
191 HB2 ALA 28 2HB ALA 28 10.092 3.629 -16.523
192 HB3 ALA 28 3HB ALA 28 10.371 4.377 -15.116
193 H GLY 29 H GLY 29 6.481 6.063 -15.332
194 HA2 GLY 29 1HA GLY 29 4.615 5.021 -14.658
195 HA3 GLY 29 2HA GLY 29 5.193 3.603 -15.227
196 H ARG 30 H ARG 30 7.226 4.981 -12.990
197 HA ARG 30 HA ARG 30 6.123 3.421 -10.797
198 HB2 ARG 30 1HB ARG 30 8.857 4.184 -11.187
199 HB3 ARG 30 2HB ARG 30 8.305 3.329 -9.910
200 HG2 ARG 30 1HG ARG 30 8.323 2.358 -12.621
201 HG3 ARG 30 2HG ARG 30 9.426 1.942 -11.491
202 HD2 ARG 30 1HD ARG 30 7.836 0.704 -10.312
203 HD3 ARG 30 2HD ARG 30 6.638 1.242 -11.282
204 HE ARG 30 HE ARG 30 8.574 -0.780 -11.932
205 HH11 ARG 30 1HH1 ARG 30 8.145 -2.039 -13.749
206 HH12 ARG 30 2HH1 ARG 30 6.847 -1.618 -14.815
207 HH21 ARG 30 1HH2 ARG 30 5.883 1.175 -13.075
208 HH22 ARG 30 2HH2 ARG 30 5.599 0.153 -14.445
209 H LEU 31 H LEU 31 6.048 4.312 -8.696
210 HA LEU 31 HA LEU 31 5.567 7.094 -8.908
211 HB2 LEU 31 1HB LEU 31 3.844 5.733 -7.909
212 HB3 LEU 31 2HB LEU 31 4.906 5.174 -6.801
213 HG LEU 31 HG LEU 31 4.892 7.330 -5.740
214 HD11 LEU 31 1HD1 LEU 31 3.305 8.958 -6.364
215 HD12 LEU 31 2HD1 LEU 31 2.851 8.052 -7.624
216 HD13 LEU 31 3HD1 LEU 31 4.335 8.692 -7.582
217 HD21 LEU 31 1HD2 LEU 31 2.662 7.099 -4.821
218 HD22 LEU 31 2HD2 LEU 31 3.327 5.634 -4.985
219 HD23 LEU 31 3HD2 LEU 31 2.243 6.156 -6.066
220 H PHE 32 H PHE 32 6.706 8.711 -8.099
221 HA PHE 32 HA PHE 32 8.402 8.178 -5.854
222 HB2 PHE 32 1HB PHE 32 8.820 10.069 -7.996
223 HB3 PHE 32 2HB PHE 32 9.615 10.235 -6.579
224 HD1 PHE 32 HD1 PHE 32 9.217 8.007 -9.398
225 HD2 PHE 32 HD2 PHE 32 11.564 9.026 -6.110
226 HE1 PHE 32 HE1 PHE 32 10.920 6.435 -10.154
227 HE2 PHE 32 HE2 PHE 32 13.279 7.477 -6.815
228 HZ PHE 32 HZ PHE 32 12.967 6.136 -8.830
229 H GLN 33 H GLN 33 8.013 9.425 -3.985
230 HA GLN 33 HA GLN 33 6.011 11.523 -4.236
231 HB2 GLN 33 1HB GLN 33 6.519 9.824 -1.975
232 HB3 GLN 33 2HB GLN 33 5.480 11.084 -1.950
233 HG2 GLN 33 1HG GLN 33 4.081 9.983 -3.509
234 HG3 GLN 33 2HG GLN 33 5.133 8.736 -3.591
235 HE21 GLN 33 1HE2 GLN 33 2.270 7.944 -1.313
236 HE22 GLN 33 2HE2 GLN 33 2.345 8.580 -2.923
237 H GLN 34 H GLN 34 7.081 13.503 -4.193
238 HA GLN 34 HA GLN 34 9.416 13.697 -2.543
239 HB2 GLN 34 1HB GLN 34 9.291 13.939 -5.414
240 HB3 GLN 34 2HB GLN 34 10.384 14.870 -4.637
241 HG2 GLN 34 1HG GLN 34 10.649 12.237 -3.876
242 HG3 GLN 34 2HG GLN 34 10.785 12.385 -5.496
243 HE21 GLN 34 1HE2 GLN 34 13.849 14.050 -5.479
244 HE22 GLN 34 2HE2 GLN 34 12.461 13.642 -6.430
245 H SER 35 H SER 35 10.311 15.938 -2.401
246 HA SER 35 HA SER 35 8.102 17.758 -2.365
247 HB2 SER 35 1HB SER 35 9.604 19.001 -0.775
248 HB3 SER 35 2HB SER 35 9.238 17.502 -0.241
249 HG SER 35 HG SER 35 11.183 16.738 -0.890
250 H CYS 36 H CYS 36 8.374 20.030 -2.877
251 HA CYS 36 HA CYS 36 10.700 20.593 -4.539
252 HB2 CYS 36 1HB CYS 36 8.109 20.884 -5.221
253 HB3 CYS 36 2HB CYS 36 8.767 22.374 -5.100
254 HA PRO 37 HA PRO 37 10.642 23.332 -0.965
255 HB2 PRO 37 1HB PRO 37 13.031 22.939 0.025
256 HB3 PRO 37 2HB PRO 37 11.962 21.708 0.123
257 HG2 PRO 37 1HG PRO 37 14.157 21.979 -1.729
258 HG3 PRO 37 2HG PRO 37 13.561 20.596 -1.096
259 HD2 PRO 37 1HD PRO 37 12.943 21.595 -3.564
260 HD3 PRO 37 2HD PRO 37 12.213 20.317 -2.855
261 H THR 38 H THR 38 13.740 24.188 -0.845
262 HA THR 38 HA THR 38 13.153 26.723 -1.629
263 HB THR 38 HB THR 38 15.800 26.816 -1.632
264 HG1 THR 38 HG1 THR 38 15.116 24.316 -0.771
265 HG21 THR 38 1HG2 THR 38 15.780 27.031 0.760
266 HG22 THR 38 2HG2 THR 38 14.331 26.317 0.828
267 HG23 THR 38 3HG2 THR 38 14.479 27.785 0.166
268 H GLY 39 H GLY 39 13.564 28.018 -3.413
269 HA2 GLY 39 1HA GLY 39 14.446 28.489 -5.413
270 HA3 GLY 39 2HA GLY 39 15.246 27.066 -5.429
271 H LEU 40 H LEU 40 12.211 26.108 -5.018
272 HA LEU 40 HA LEU 40 11.735 25.990 -7.849
273 HB2 LEU 40 1HB LEU 40 11.605 23.692 -6.069
274 HB3 LEU 40 2HB LEU 40 11.224 23.624 -7.656
275 HG LEU 40 HG LEU 40 13.868 24.112 -6.690
276 HD11 LEU 40 1HD1 LEU 40 14.325 21.798 -7.265
277 HD12 LEU 40 2HD1 LEU 40 12.764 21.592 -7.635
278 HD13 LEU 40 3HD1 LEU 40 13.201 21.883 -6.105
279 HD21 LEU 40 1HD2 LEU 40 14.612 23.654 -8.942
280 HD22 LEU 40 2HD2 LEU 40 13.626 24.936 -8.924
281 HD23 LEU 40 3HD2 LEU 40 13.075 23.498 -9.419
282 H VAL 41 H VAL 41 9.640 25.925 -8.625
283 HA VAL 41 HA VAL 41 7.579 25.903 -6.603
284 HB VAL 41 HB VAL 41 6.412 27.736 -7.826
285 HG11 VAL 41 1HG1 VAL 41 7.702 29.507 -6.872
286 HG12 VAL 41 2HG1 VAL 41 8.945 28.497 -6.652
287 HG13 VAL 41 3HG1 VAL 41 7.576 28.289 -5.817
288 HG21 VAL 41 1HG2 VAL 41 7.672 29.072 -9.349
289 HG22 VAL 41 2HG2 VAL 41 7.537 27.566 -9.920
290 HG23 VAL 41 3HG2 VAL 41 8.919 28.049 -9.233
291 H PHE 42 H PHE 42 5.496 25.073 -7.259
292 HA PHE 42 HA PHE 42 5.785 23.326 -9.454
293 HB2 PHE 42 1HB PHE 42 4.800 22.374 -7.477
294 HB3 PHE 42 2HB PHE 42 3.617 23.500 -7.496
295 HD1 PHE 42 HD1 PHE 42 4.857 21.146 -9.975
296 HD2 PHE 42 HD2 PHE 42 1.512 22.536 -7.963
297 HE1 PHE 42 HE1 PHE 42 3.488 19.682 -11.287
298 HE2 PHE 42 HE2 PHE 42 0.102 21.012 -9.224
299 HZ PHE 42 HZ PHE 42 1.092 19.611 -10.921
300 H SER 43 H SER 43 4.820 23.361 -11.409
301 HA SER 43 HA SER 43 2.892 25.442 -11.810
302 HB2 SER 43 1HB SER 43 4.902 25.796 -13.127
303 HB3 SER 43 2HB SER 43 4.699 24.334 -13.826
304 HG SER 43 HG SER 43 3.960 25.785 -15.229
305 H ASN 44 H ASN 44 0.938 24.574 -11.617
306 HA ASN 44 HA ASN 44 0.412 21.979 -12.303
307 HB2 ASN 44 1HB ASN 44 -0.923 23.823 -10.932
308 HB3 ASN 44 2HB ASN 44 -1.832 23.794 -12.289
309 HD21 ASN 44 1HD2 ASN 44 -3.060 21.405 -9.648
310 HD22 ASN 44 2HD2 ASN 44 -2.477 23.032 -9.527
311 H SER 45 H SER 45 0.343 24.710 -14.328
312 HA SER 45 HA SER 45 -1.448 23.724 -16.185
313 HB2 SER 45 1HB SER 45 -0.448 25.472 -17.678
314 HB3 SER 45 2HB SER 45 -0.984 26.050 -16.248
315 HG SER 45 HG SER 45 1.550 25.157 -16.277
316 H CYS 46 H CYS 46 1.994 23.381 -15.945
317 HA CYS 46 HA CYS 46 1.959 21.775 -18.334
318 HB2 CYS 46 1HB CYS 46 4.197 22.112 -18.541
319 HB3 CYS 46 2HB CYS 46 3.567 23.558 -18.116
320 H LYS 47 H LYS 47 1.752 21.439 -15.185
321 HA LYS 47 HA LYS 47 2.108 19.905 -13.701
322 HB2 LYS 47 1HB LYS 47 2.171 17.975 -15.871
323 HB3 LYS 47 2HB LYS 47 1.993 17.544 -14.306
324 HG2 LYS 47 1HG LYS 47 0.033 19.135 -15.687
325 HG3 LYS 47 2HG LYS 47 -0.063 17.507 -15.599
326 HD2 LYS 47 1HD LYS 47 -0.137 17.688 -13.200
327 HD3 LYS 47 2HD LYS 47 -0.173 19.313 -13.356
328 HE2 LYS 47 1HE LYS 47 -2.225 17.544 -14.317
329 HE3 LYS 47 2HE LYS 47 -2.345 18.460 -12.970
330 HZ1 LYS 47 1HZ LYS 47 -3.454 19.522 -14.782
331 HZ2 LYS 47 2HZ LYS 47 -2.082 19.518 -15.637
332 HZ3 LYS 47 3HZ LYS 47 -2.201 20.425 -14.303
333 H CYS 48 H CYS 48 4.286 21.260 -14.117
334 HA CYS 48 HA CYS 48 6.387 19.367 -13.681
335 HB2 CYS 48 1HB CYS 48 7.277 21.819 -14.682
336 HB3 CYS 48 2HB CYS 48 7.775 20.318 -15.088
337 H CYS 49 H CYS 49 8.335 20.267 -12.436
338 HA CYS 49 HA CYS 49 7.563 22.444 -10.670
339 HB2 CYS 49 1HB CYS 49 8.965 20.209 -10.160
340 HB3 CYS 49 2HB CYS 49 9.952 21.490 -9.932
341 H THR 50 H THR 50 8.633 24.422 -11.004
342 HA THR 50 HA THR 50 10.662 24.394 -13.032
343 HB THR 50 HB THR 50 9.770 26.609 -13.769
344 HG1 THR 50 HG1 THR 50 7.553 26.870 -12.802
345 HG21 THR 50 1HG2 THR 50 7.707 25.778 -14.746
346 HG22 THR 50 2HG2 THR 50 7.683 24.549 -13.697
347 HG23 THR 50 3HG2 THR 50 8.812 24.603 -14.852
348 H TRP 51 H TRP 51 12.250 26.113 -13.079
349 HA TRP 51 HA TRP 51 13.302 26.605 -10.532
350 HB2 TRP 51 1HB TRP 51 14.593 26.408 -12.618
351 HB3 TRP 51 2HB TRP 51 13.998 27.858 -13.075
352 HD1 TRP 51 HD1 TRP 51 14.821 29.971 -11.571
353 HE1 TRP 51 HE1 TRP 51 17.044 30.463 -10.494
354 HE3 TRP 51 HE3 TRP 51 16.610 25.299 -11.635
355 HZ2 TRP 51 HZ2 TRP 51 19.289 28.896 -9.778
356 HZ3 TRP 51 HZ3 TRP 51 18.832 24.878 -10.814
357 HH2 TRP 51 HH2 TRP 51 20.175 26.681 -9.905
358 H ASN 52 H ASN 52 13.196 28.373 -9.159
359 HA ASN 52 HA ASN 52 11.300 30.346 -9.975
360 HB2 ASN 52 1HB ASN 52 11.027 29.225 -7.841
361 HB3 ASN 52 2HB ASN 52 12.395 29.954 -7.328
362 HD21 ASN 52 1HD2 ASN 52 10.448 32.441 -5.889
363 HD22 ASN 52 2HD2 ASN 52 11.585 31.161 -5.627
364 H GLY 53 H GLY 53 12.182 32.071 -11.069
365 HA2 GLY 53 1HA GLY 53 13.945 33.770 -9.716
366 HA3 GLY 53 2HA GLY 53 14.765 32.913 -10.839
367 H LEU 54 H LEU 54 12.685 32.863 -12.821
368 HA LEU 54 HA LEU 54 13.138 35.395 -13.938
369 HB2 LEU 54 1HB LEU 54 12.574 32.991 -14.930
370 HB3 LEU 54 2HB LEU 54 11.174 33.793 -15.184
371 HG LEU 54 HG LEU 54 13.527 35.030 -16.160
372 HD11 LEU 54 1HD1 LEU 54 13.515 33.660 -18.168
373 HD12 LEU 54 2HD1 LEU 54 12.358 32.730 -17.527
374 HD13 LEU 54 3HD1 LEU 54 13.840 32.737 -16.880
375 HD21 LEU 54 1HD2 LEU 54 12.071 35.733 -17.926
376 HD22 LEU 54 2HD2 LEU 54 11.438 36.126 -16.490
377 HD23 LEU 54 3HD2 LEU 54 10.874 34.844 -17.299
378 H VAL 55 H VAL 55 12.039 37.226 -13.795
379 HA VAL 55 HA VAL 55 9.256 36.981 -13.166
380 HB VAL 55 HB VAL 55 10.805 39.157 -12.035
381 HG11 VAL 55 1HG1 VAL 55 8.984 39.399 -10.464
382 HG12 VAL 55 2HG1 VAL 55 8.210 38.170 -11.175
383 HG13 VAL 55 3HG1 VAL 55 8.439 39.554 -11.979
384 HG21 VAL 55 1HG2 VAL 55 10.923 37.967 -9.931
385 HG22 VAL 55 2HG2 VAL 55 11.717 37.151 -11.080
386 HG23 VAL 55 3HG2 VAL 55 10.239 36.677 -10.627
387 HA PRO 56 HA PRO 56 9.274 39.629 -16.714
388 HB2 PRO 56 1HB PRO 56 6.814 39.245 -17.645
389 HB3 PRO 56 2HB PRO 56 7.802 37.944 -17.623
390 HG2 PRO 56 1HG PRO 56 5.859 38.687 -15.672
391 HG3 PRO 56 2HG PRO 56 6.043 37.232 -16.392
392 HD2 PRO 56 1HD PRO 56 7.115 37.705 -14.025
393 HD3 PRO 56 2HD PRO 56 7.834 36.678 -15.072
394 H ARG 57 H ARG 57 7.760 40.278 -13.985
395 HA ARG 57 HA ARG 57 6.968 42.942 -14.799
396 HB2 ARG 57 1HB ARG 57 5.258 42.834 -13.091
397 HB3 ARG 57 2HB ARG 57 4.978 41.830 -14.348
398 HG2 ARG 57 1HG ARG 57 4.405 40.553 -12.575
399 HG3 ARG 57 2HG ARG 57 5.930 40.053 -12.878
400 HD2 ARG 57 1HD ARG 57 6.707 41.495 -11.084
401 HD3 ARG 57 2HD ARG 57 5.150 41.848 -10.739
402 HE ARG 57 HE ARG 57 5.732 39.060 -10.742
403 HH11 ARG 57 1HH1 ARG 57 5.624 37.905 -8.864
404 HH12 ARG 57 2HH1 ARG 57 5.417 38.721 -7.351
405 HH21 ARG 57 1HH2 ARG 57 5.495 41.886 -8.696
406 HH22 ARG 57 2HH2 ARG 57 5.344 40.926 -7.262
Start of MODEL 17
1 H1 GLY 1 1H GLY 1 -4.315 -7.237 -2.606
2 H2 GLY 1 2H GLY 1 -3.265 -6.095 -2.150
3 H3 GLY 1 3H GLY 1 -2.833 -7.198 -3.250
4 HA2 GLY 1 1HA GLY 1 -4.407 -6.309 -4.772
5 HA3 GLY 1 2HA GLY 1 -4.843 -5.195 -3.661
6 H SER 2 H SER 2 -4.292 -3.769 -5.629
7 HA SER 2 HA SER 2 -1.550 -2.908 -5.271
8 HB2 SER 2 1HB SER 2 -1.459 -4.054 -7.338
9 HB3 SER 2 2HB SER 2 -2.787 -3.270 -7.874
10 HG SER 2 HG SER 2 -0.292 -2.540 -8.059
11 HA PRO 3 HA PRO 3 -3.918 0.743 -5.015
12 HB2 PRO 3 1HB PRO 3 -2.109 2.701 -4.956
13 HB3 PRO 3 2HB PRO 3 -2.156 1.667 -3.693
14 HG2 PRO 3 1HG PRO 3 -0.434 1.560 -5.969
15 HG3 PRO 3 2HG PRO 3 -0.012 1.457 -4.394
16 HD2 PRO 3 1HD PRO 3 -0.318 -0.718 -5.807
17 HD3 PRO 3 2HD PRO 3 -0.727 -0.710 -4.226
18 H THR 4 H THR 4 -2.081 0.134 -7.688
19 HA THR 4 HA THR 4 -2.018 0.972 -9.696
20 HB THR 4 HB THR 4 -4.235 1.300 -10.830
21 HG1 THR 4 HG1 THR 4 -6.012 1.532 -9.749
22 HG21 THR 4 1HG2 THR 4 -5.088 -0.902 -10.343
23 HG22 THR 4 2HG2 THR 4 -4.191 -0.968 -8.998
24 HG23 THR 4 3HG2 THR 4 -3.477 -0.991 -10.449
25 H PHE 5 H PHE 5 -1.445 2.980 -7.808
26 HA PHE 5 HA PHE 5 -2.764 5.321 -8.408
27 HB2 PHE 5 1HB PHE 5 -1.489 4.871 -6.368
28 HB3 PHE 5 2HB PHE 5 -0.115 5.042 -7.234
29 HD1 PHE 5 HD1 PHE 5 0.757 7.230 -7.793
30 HD2 PHE 5 HD2 PHE 5 -2.863 6.832 -5.787
31 HE1 PHE 5 HE1 PHE 5 0.889 9.540 -7.122
32 HE2 PHE 5 HE2 PHE 5 -2.801 9.171 -5.208
33 HZ PHE 5 HZ PHE 5 -0.915 10.522 -5.862
34 H CYS 6 H CYS 6 0.323 4.228 -9.545
35 HA CYS 6 HA CYS 6 0.307 6.385 -11.453
36 HB2 CYS 6 1HB CYS 6 2.255 5.431 -9.831
37 HB3 CYS 6 2HB CYS 6 2.734 5.143 -11.365
38 H GLN 7 H GLN 7 -0.299 3.226 -11.244
39 HA GLN 7 HA GLN 7 1.055 2.226 -13.476
40 HB2 GLN 7 1HB GLN 7 -1.009 1.307 -11.744
41 HB3 GLN 7 2HB GLN 7 -0.673 0.443 -13.089
42 HG2 GLN 7 1HG GLN 7 1.344 -0.212 -12.318
43 HG3 GLN 7 2HG GLN 7 1.483 1.074 -11.322
44 HE21 GLN 7 1HE2 GLN 7 0.995 -1.125 -8.694
45 HE22 GLN 7 2HE2 GLN 7 2.135 -0.139 -9.548
46 H GLY 8 H GLY 8 0.694 2.493 -15.582
47 HA2 GLY 8 1HA GLY 8 -0.598 2.733 -17.440
48 HA3 GLY 8 2HA GLY 8 -1.959 2.673 -16.539
49 H LYS 9 H LYS 9 0.380 4.949 -15.620
50 HA LYS 9 HA LYS 9 -1.205 7.067 -16.791
51 HB2 LYS 9 1HB LYS 9 -0.025 6.986 -14.176
52 HB3 LYS 9 2HB LYS 9 -0.574 8.380 -14.827
53 HG2 LYS 9 1HG LYS 9 -2.736 7.309 -15.072
54 HG3 LYS 9 2HG LYS 9 -2.149 6.065 -14.191
55 HD2 LYS 9 1HD LYS 9 -1.623 7.650 -12.500
56 HD3 LYS 9 2HD LYS 9 -2.481 8.742 -13.359
57 HE2 LYS 9 1HE LYS 9 -4.441 7.450 -13.124
58 HE3 LYS 9 2HE LYS 9 -3.602 6.260 -12.385
59 HZ1 LYS 9 1HZ LYS 9 -4.770 7.550 -10.783
60 HZ2 LYS 9 2HZ LYS 9 -4.007 8.884 -11.287
61 HZ3 LYS 9 3HZ LYS 9 -3.176 7.705 -10.556
62 H ALA 10 H ALA 10 -0.250 8.983 -17.503
63 HA ALA 10 HA ALA 10 2.244 8.552 -18.657
64 HB1 ALA 10 1HB ALA 10 0.603 9.989 -19.723
65 HB2 ALA 10 2HB ALA 10 1.973 10.823 -19.520
66 HB3 ALA 10 3HB ALA 10 0.731 11.051 -18.511
67 H ASP 11 H ASP 11 4.234 9.686 -18.392
68 HA ASP 11 HA ASP 11 4.901 10.089 -15.725
69 HB2 ASP 11 1HB ASP 11 6.377 10.498 -18.159
70 HB3 ASP 11 2HB ASP 11 7.043 10.908 -16.725
71 H GLY 12 H GLY 12 5.568 11.978 -14.580
72 HA2 GLY 12 1HA GLY 12 5.709 14.494 -15.162
73 HA3 GLY 12 2HA GLY 12 4.113 14.301 -15.451
74 H LEU 13 H LEU 13 4.374 16.110 -13.570
75 HA LEU 13 HA LEU 13 4.427 14.716 -11.075
76 HB2 LEU 13 1HB LEU 13 4.421 17.562 -11.535
77 HB3 LEU 13 2HB LEU 13 4.463 16.904 -10.041
78 HG LEU 13 HG LEU 13 6.589 16.859 -11.964
79 HD11 LEU 13 1HD1 LEU 13 7.747 18.165 -10.262
80 HD12 LEU 13 2HD1 LEU 13 6.435 18.087 -9.320
81 HD13 LEU 13 3HD1 LEU 13 6.388 18.923 -10.703
82 HD21 LEU 13 1HD2 LEU 13 7.930 15.697 -10.387
83 HD22 LEU 13 2HD2 LEU 13 6.666 14.792 -10.831
84 HD23 LEU 13 3HD2 LEU 13 6.656 15.550 -9.403
85 H TYR 14 H TYR 14 2.755 14.704 -9.528
86 HA TYR 14 HA TYR 14 0.211 15.659 -10.516
87 HB2 TYR 14 1HB TYR 14 0.744 13.088 -9.312
88 HB3 TYR 14 2HB TYR 14 -0.776 13.655 -9.494
89 HD1 TYR 14 HD1 TYR 14 2.055 12.393 -11.244
90 HD2 TYR 14 HD2 TYR 14 -1.892 13.595 -11.673
91 HE1 TYR 14 HE1 TYR 14 2.020 11.451 -13.468
92 HE2 TYR 14 HE2 TYR 14 -1.947 12.618 -13.892
93 HH TYR 14 HH TYR 14 -0.021 10.442 -15.042
94 HA PRO 15 HA PRO 15 0.001 17.605 -6.731
95 HB2 PRO 15 1HB PRO 15 -2.612 18.100 -6.350
96 HB3 PRO 15 2HB PRO 15 -1.842 18.857 -7.575
97 HG2 PRO 15 1HG PRO 15 -3.378 16.457 -7.704
98 HG3 PRO 15 2HG PRO 15 -3.511 17.778 -8.655
99 HD2 PRO 15 1HD PRO 15 -2.138 15.752 -9.498
100 HD3 PRO 15 2HD PRO 15 -1.612 17.261 -9.832
101 H ASN 16 H ASN 16 -0.133 17.602 -4.617
102 HA ASN 16 HA ASN 16 -0.533 15.039 -3.483
103 HB2 ASN 16 1HB ASN 16 0.569 15.935 -1.597
104 HB3 ASN 16 2HB ASN 16 1.353 16.502 -2.912
105 HD21 ASN 16 1HD2 ASN 16 1.061 19.778 -1.970
106 HD22 ASN 16 2HD2 ASN 16 1.937 18.558 -2.833
107 HA PRO 17 HA PRO 17 -4.335 16.122 -1.702
108 HB2 PRO 17 1HB PRO 17 -4.747 14.328 0.242
109 HB3 PRO 17 2HB PRO 17 -4.636 13.761 -1.286
110 HG2 PRO 17 1HG PRO 17 -2.552 13.908 0.672
111 HG3 PRO 17 2HG PRO 17 -2.971 12.617 -0.236
112 HD2 PRO 17 1HD PRO 17 -0.992 14.177 -0.956
113 HD3 PRO 17 2HD PRO 17 -1.909 13.420 -2.076
114 H ARG 18 H ARG 18 -1.645 16.353 0.337
115 HA ARG 18 HA ARG 18 -3.086 18.088 2.084
116 HB2 ARG 18 1HB ARG 18 -2.679 15.508 2.758
117 HB3 ARG 18 2HB ARG 18 -1.441 16.248 3.524
118 HG2 ARG 18 1HG ARG 18 -4.099 17.141 3.999
119 HG3 ARG 18 2HG ARG 18 -3.542 15.823 4.785
120 HD2 ARG 18 1HD ARG 18 -1.711 17.184 5.610
121 HD3 ARG 18 2HD ARG 18 -2.460 18.486 4.968
122 HE ARG 18 HE ARG 18 -4.293 17.254 6.602
123 HH11 ARG 18 1HH1 ARG 18 -4.723 17.951 8.659
124 HH12 ARG 18 2HH1 ARG 18 -3.591 18.949 9.508
125 HH21 ARG 18 1HH2 ARG 18 -1.268 19.018 6.964
126 HH22 ARG 18 2HH2 ARG 18 -1.666 19.544 8.566
127 H GLU 19 H GLU 19 -0.126 17.032 0.967
128 HA GLU 19 HA GLU 19 1.499 18.528 2.664
129 HB2 GLU 19 1HB GLU 19 2.058 17.163 0.168
130 HB3 GLU 19 2HB GLU 19 3.243 17.790 1.100
131 HG2 GLU 19 1HG GLU 19 3.171 15.487 1.487
132 HG3 GLU 19 2HG GLU 19 2.645 16.238 2.838
133 H ARG 20 H ARG 20 3.420 19.880 1.469
134 HA ARG 20 HA ARG 20 2.150 21.637 -0.418
135 HB2 ARG 20 1HB ARG 20 3.639 22.580 1.886
136 HB3 ARG 20 2HB ARG 20 3.180 23.573 0.673
137 HG2 ARG 20 1HG ARG 20 1.314 22.175 2.358
138 HG3 ARG 20 2HG ARG 20 1.756 23.729 2.601
139 HD2 ARG 20 1HD ARG 20 0.814 24.323 0.480
140 HD3 ARG 20 2HD ARG 20 0.361 22.770 0.250
141 HE ARG 20 HE ARG 20 -0.877 24.659 2.021
142 HH11 ARG 20 1HH1 ARG 20 -0.925 21.358 0.760
143 HH12 ARG 20 2HH1 ARG 20 -2.531 21.081 1.346
144 HH21 ARG 20 1HH2 ARG 20 -2.924 24.212 2.699
145 HH22 ARG 20 2HH2 ARG 20 -3.635 22.658 2.417
146 H SER 21 H SER 21 5.207 21.059 1.127
147 HA SER 21 HA SER 21 6.625 21.928 -1.135
148 HB2 SER 21 1HB SER 21 7.835 20.522 1.118
149 HB3 SER 21 2HB SER 21 8.541 21.696 0.230
150 HG SER 21 HG SER 21 7.088 23.179 1.109
151 H SER 22 H SER 22 5.109 19.156 -0.647
152 HA SER 22 HA SER 22 6.911 17.697 -2.344
153 HB2 SER 22 1HB SER 22 6.277 15.656 -1.079
154 HB3 SER 22 2HB SER 22 7.217 16.696 -0.241
155 HG SER 22 HG SER 22 4.476 16.701 -0.086
156 H PHE 23 H PHE 23 5.973 15.973 -3.623
157 HA PHE 23 HA PHE 23 3.202 16.296 -4.264
158 HB2 PHE 23 1HB PHE 23 4.563 16.575 -6.632
159 HB3 PHE 23 2HB PHE 23 3.461 17.597 -5.994
160 HD1 PHE 23 HD1 PHE 23 4.191 19.558 -4.653
161 HD2 PHE 23 HD2 PHE 23 6.842 16.966 -6.486
162 HE1 PHE 23 HE1 PHE 23 5.979 21.121 -4.234
163 HE2 PHE 23 HE2 PHE 23 8.661 18.521 -6.096
164 HZ PHE 23 HZ PHE 23 8.214 20.602 -4.964
165 H TYR 24 H TYR 24 2.834 14.864 -6.445
166 HA TYR 24 HA TYR 24 4.241 12.394 -5.958
167 HB2 TYR 24 1HB TYR 24 1.787 12.851 -7.410
168 HB3 TYR 24 2HB TYR 24 2.497 11.383 -7.311
169 HD1 TYR 24 HD1 TYR 24 2.792 10.386 -4.965
170 HD2 TYR 24 HD2 TYR 24 0.164 13.467 -5.846
171 HE1 TYR 24 HE1 TYR 24 1.581 9.919 -2.947
172 HE2 TYR 24 HE2 TYR 24 -1.103 12.955 -3.861
173 HH TYR 24 HH TYR 24 -1.495 11.061 -2.294
174 H SER 25 H SER 25 4.965 11.169 -7.845
175 HA SER 25 HA SER 25 5.245 12.676 -10.264
176 HB2 SER 25 1HB SER 25 7.300 13.054 -9.061
177 HB3 SER 25 2HB SER 25 7.525 11.440 -8.952
178 HG SER 25 HG SER 25 8.748 12.140 -10.599
179 H CYS 26 H CYS 26 5.523 11.352 -12.114
180 HA CYS 26 HA CYS 26 5.290 8.491 -11.642
181 HB2 CYS 26 1HB CYS 26 3.461 9.975 -12.713
182 HB3 CYS 26 2HB CYS 26 4.262 9.400 -14.015
183 H ALA 27 H ALA 27 6.990 7.393 -12.513
184 HA ALA 27 HA ALA 27 8.411 8.590 -14.721
185 HB1 ALA 27 1HB ALA 27 9.687 9.268 -12.823
186 HB2 ALA 27 2HB ALA 27 10.542 8.184 -13.664
187 HB3 ALA 27 3HB ALA 27 9.779 7.738 -12.310
188 H ALA 28 H ALA 28 8.517 7.108 -16.316
189 HA ALA 28 HA ALA 28 8.231 5.159 -17.311
190 HB1 ALA 28 1HB ALA 28 10.431 4.630 -16.447
191 HB2 ALA 28 2HB ALA 28 9.566 3.269 -16.569
192 HB3 ALA 28 3HB ALA 28 9.766 3.973 -15.127
193 H GLY 29 H GLY 29 6.102 6.014 -15.666
194 HA2 GLY 29 1HA GLY 29 4.098 5.171 -15.069
195 HA3 GLY 29 2HA GLY 29 4.556 3.690 -15.584
196 H ARG 30 H ARG 30 6.709 4.788 -13.337
197 HA ARG 30 HA ARG 30 5.522 3.125 -11.314
198 HB2 ARG 30 1HB ARG 30 8.234 4.119 -11.419
199 HB3 ARG 30 2HB ARG 30 7.683 3.050 -10.314
200 HG2 ARG 30 1HG ARG 30 7.336 1.478 -12.085
201 HG3 ARG 30 2HG ARG 30 8.035 2.538 -13.113
202 HD2 ARG 30 1HD ARG 30 10.025 2.457 -11.749
203 HD3 ARG 30 2HD ARG 30 9.322 1.278 -10.865
204 HE ARG 30 HE ARG 30 9.310 0.520 -13.539
205 HH11 ARG 30 1HH1 ARG 30 11.550 0.783 -10.834
206 HH12 ARG 30 2HH1 ARG 30 12.613 -0.417 -11.488
207 HH21 ARG 30 1HH2 ARG 30 10.717 -1.001 -14.307
208 HH22 ARG 30 2HH2 ARG 30 12.149 -1.409 -13.421
209 H LEU 31 H LEU 31 5.403 3.808 -9.085
210 HA LEU 31 HA LEU 31 4.767 6.536 -8.920
211 HB2 LEU 31 1HB LEU 31 3.900 4.455 -7.584
212 HB3 LEU 31 2HB LEU 31 4.935 5.079 -6.485
213 HG LEU 31 HG LEU 31 2.619 6.377 -7.529
214 HD11 LEU 31 1HD1 LEU 31 1.799 6.164 -5.213
215 HD12 LEU 31 2HD1 LEU 31 3.167 5.396 -4.823
216 HD13 LEU 31 3HD1 LEU 31 2.113 4.705 -5.837
217 HD21 LEU 31 1HD2 LEU 31 2.944 8.197 -6.017
218 HD22 LEU 31 2HD2 LEU 31 4.142 8.115 -7.100
219 HD23 LEU 31 3HD2 LEU 31 4.378 7.583 -5.592
220 H PHE 32 H PHE 32 6.045 8.195 -8.360
221 HA PHE 32 HA PHE 32 8.184 7.668 -6.475
222 HB2 PHE 32 1HB PHE 32 8.378 9.242 -8.845
223 HB3 PHE 32 2HB PHE 32 9.358 9.532 -7.571
224 HD1 PHE 32 HD1 PHE 32 8.489 7.024 -10.002
225 HD2 PHE 32 HD2 PHE 32 11.289 8.193 -7.163
226 HE1 PHE 32 HE1 PHE 32 9.999 5.322 -10.805
227 HE2 PHE 32 HE2 PHE 32 12.802 6.478 -7.935
228 HZ PHE 32 HZ PHE 32 12.162 5.047 -9.772
229 H GLN 33 H GLN 33 8.264 9.343 -4.794
230 HA GLN 33 HA GLN 33 6.246 11.444 -5.111
231 HB2 GLN 33 1HB GLN 33 7.170 10.271 -2.714
232 HB3 GLN 33 2HB GLN 33 6.394 11.708 -2.749
233 HG2 GLN 33 1HG GLN 33 4.532 10.583 -3.856
234 HG3 GLN 33 2HG GLN 33 5.292 9.166 -3.571
235 HE21 GLN 33 1HE2 GLN 33 3.724 8.733 -0.558
236 HE22 GLN 33 2HE2 GLN 33 4.330 8.035 -2.023
237 H GLN 34 H GLN 34 7.010 13.600 -4.792
238 HA GLN 34 HA GLN 34 9.880 13.828 -4.933
239 HB2 GLN 34 1HB GLN 34 7.916 14.810 -6.776
240 HB3 GLN 34 2HB GLN 34 9.214 15.768 -6.525
241 HG2 GLN 34 1HG GLN 34 9.656 13.064 -7.280
242 HG3 GLN 34 2HG GLN 34 9.235 14.139 -8.435
243 HE21 GLN 34 1HE2 GLN 34 12.956 14.067 -6.995
244 HE22 GLN 34 2HE2 GLN 34 11.706 13.018 -6.413
245 H SER 35 H SER 35 10.726 15.976 -4.449
246 HA SER 35 HA SER 35 8.869 17.815 -3.222
247 HB2 SER 35 1HB SER 35 10.321 18.177 -1.364
248 HB3 SER 35 2HB SER 35 9.688 16.672 -1.336
249 HG SER 35 HG SER 35 11.540 15.796 -1.713
250 H CYS 36 H CYS 36 9.780 20.017 -3.492
251 HA CYS 36 HA CYS 36 12.150 20.062 -5.193
252 HB2 CYS 36 1HB CYS 36 9.978 21.840 -5.173
253 HB3 CYS 36 2HB CYS 36 11.421 22.226 -5.834
254 HA PRO 37 HA PRO 37 13.321 21.658 -1.277
255 HB2 PRO 37 1HB PRO 37 15.977 21.890 -1.514
256 HB3 PRO 37 2HB PRO 37 15.311 20.402 -1.407
257 HG2 PRO 37 1HG PRO 37 16.102 21.796 -3.779
258 HG3 PRO 37 2HG PRO 37 16.405 20.239 -3.389
259 HD2 PRO 37 1HD PRO 37 14.443 20.835 -4.992
260 HD3 PRO 37 2HD PRO 37 14.319 19.564 -3.975
261 H THR 38 H THR 38 15.781 23.469 -2.860
262 HA THR 38 HA THR 38 14.329 25.813 -2.090
263 HB THR 38 HB THR 38 16.548 25.696 -1.132
264 HG1 THR 38 HG1 THR 38 17.280 27.781 -2.170
265 HG21 THR 38 1HG2 THR 38 18.484 25.923 -2.517
266 HG22 THR 38 2HG2 THR 38 17.560 25.902 -3.844
267 HG23 THR 38 3HG2 THR 38 17.700 24.572 -2.936
268 H GLY 39 H GLY 39 14.022 27.648 -3.473
269 HA2 GLY 39 1HA GLY 39 14.148 28.764 -5.403
270 HA3 GLY 39 2HA GLY 39 15.255 27.700 -5.961
271 H LEU 40 H LEU 40 12.842 25.713 -5.486
272 HA LEU 40 HA LEU 40 11.634 26.255 -8.049
273 HB2 LEU 40 1HB LEU 40 12.446 23.645 -7.123
274 HB3 LEU 40 2HB LEU 40 11.704 23.925 -8.550
275 HG LEU 40 HG LEU 40 14.387 24.770 -7.978
276 HD11 LEU 40 1HD1 LEU 40 15.050 22.888 -9.372
277 HD12 LEU 40 2HD1 LEU 40 13.500 22.452 -9.515
278 HD13 LEU 40 3HD1 LEU 40 14.239 22.351 -8.080
279 HD21 LEU 40 1HD2 LEU 40 14.596 25.171 -10.306
280 HD22 LEU 40 2HD2 LEU 40 13.432 26.100 -9.677
281 HD23 LEU 40 3HD2 LEU 40 13.043 24.778 -10.522
282 H VAL 41 H VAL 41 9.421 25.722 -8.293
283 HA VAL 41 HA VAL 41 8.147 24.622 -5.977
284 HB VAL 41 HB VAL 41 6.312 26.283 -6.203
285 HG11 VAL 41 1HG1 VAL 41 7.473 28.090 -5.099
286 HG12 VAL 41 2HG1 VAL 41 8.890 27.454 -5.546
287 HG13 VAL 41 3HG1 VAL 41 7.950 26.670 -4.490
288 HG21 VAL 41 1HG2 VAL 41 6.712 28.291 -7.490
289 HG22 VAL 41 2HG2 VAL 41 6.707 27.003 -8.468
290 HG23 VAL 41 3HG2 VAL 41 8.109 27.676 -8.024
291 H PHE 42 H PHE 42 6.183 23.362 -6.387
292 HA PHE 42 HA PHE 42 6.051 22.450 -9.047
293 HB2 PHE 42 1HB PHE 42 5.574 20.856 -7.429
294 HB3 PHE 42 2HB PHE 42 4.423 21.800 -6.756
295 HD1 PHE 42 HD1 PHE 42 4.937 20.610 -10.174
296 HD2 PHE 42 HD2 PHE 42 2.321 20.805 -6.947
297 HE1 PHE 42 HE1 PHE 42 3.232 19.544 -11.501
298 HE2 PHE 42 HE2 PHE 42 0.617 19.699 -8.258
299 HZ PHE 42 HZ PHE 42 1.076 19.068 -10.542
300 H SER 43 H SER 43 4.791 23.137 -10.725
301 HA SER 43 HA SER 43 2.498 24.717 -10.003
302 HB2 SER 43 1HB SER 43 4.141 26.182 -10.959
303 HB3 SER 43 2HB SER 43 4.166 25.269 -12.313
304 HG SER 43 HG SER 43 2.820 27.204 -12.297
305 H ASN 44 H ASN 44 0.598 23.907 -10.642
306 HA ASN 44 HA ASN 44 0.548 21.600 -12.118
307 HB2 ASN 44 1HB ASN 44 -1.431 23.280 -10.979
308 HB3 ASN 44 2HB ASN 44 -1.987 22.432 -12.259
309 HD21 ASN 44 1HD2 ASN 44 -1.974 20.730 -8.768
310 HD22 ASN 44 2HD2 ASN 44 -1.875 22.433 -9.071
311 H SER 45 H SER 45 0.530 24.807 -13.206
312 HA SER 45 HA SER 45 -0.740 24.390 -15.634
313 HB2 SER 45 1HB SER 45 0.315 26.521 -16.289
314 HB3 SER 45 2HB SER 45 -0.412 26.627 -14.831
315 HG SER 45 HG SER 45 1.426 26.734 -13.825
316 H CYS 46 H CYS 46 2.526 23.969 -14.651
317 HA CYS 46 HA CYS 46 3.357 23.291 -17.305
318 HB2 CYS 46 1HB CYS 46 4.802 24.545 -15.947
319 HB3 CYS 46 2HB CYS 46 4.811 23.345 -14.839
320 H LYS 47 H LYS 47 2.215 21.895 -14.517
321 HA LYS 47 HA LYS 47 2.099 19.797 -13.706
322 HB2 LYS 47 1HB LYS 47 1.371 19.470 -16.160
323 HB3 LYS 47 2HB LYS 47 2.648 18.452 -16.131
324 HG2 LYS 47 1HG LYS 47 0.760 17.213 -15.706
325 HG3 LYS 47 2HG LYS 47 1.613 17.295 -14.316
326 HD2 LYS 47 1HD LYS 47 0.161 19.040 -13.548
327 HD3 LYS 47 2HD LYS 47 -0.707 18.908 -14.925
328 HE2 LYS 47 1HE LYS 47 -1.323 16.703 -14.330
329 HE3 LYS 47 2HE LYS 47 -0.444 16.824 -12.959
330 HZ1 LYS 47 1HZ LYS 47 -2.735 17.261 -12.501
331 HZ2 LYS 47 2HZ LYS 47 -2.727 18.469 -13.576
332 HZ3 LYS 47 3HZ LYS 47 -1.857 18.589 -12.219
333 H CYS 48 H CYS 48 4.540 21.253 -13.842
334 HA CYS 48 HA CYS 48 6.437 19.167 -13.352
335 HB2 CYS 48 1HB CYS 48 7.988 19.903 -14.750
336 HB3 CYS 48 2HB CYS 48 6.616 20.036 -15.626
337 H CYS 49 H CYS 49 8.494 20.180 -12.278
338 HA CYS 49 HA CYS 49 7.647 22.192 -10.422
339 HB2 CYS 49 1HB CYS 49 9.033 20.245 -9.922
340 HB3 CYS 49 2HB CYS 49 10.257 21.133 -10.538
341 H THR 50 H THR 50 8.035 24.352 -10.683
342 HA THR 50 HA THR 50 9.665 25.073 -12.934
343 HB THR 50 HB THR 50 8.240 27.137 -13.002
344 HG1 THR 50 HG1 THR 50 6.198 26.680 -11.762
345 HG21 THR 50 1HG2 THR 50 6.291 26.077 -13.899
346 HG22 THR 50 2HG2 THR 50 6.714 24.676 -13.211
347 HG23 THR 50 3HG2 THR 50 7.597 25.281 -14.424
348 H TRP 51 H TRP 51 10.817 27.211 -12.812
349 HA TRP 51 HA TRP 51 12.108 27.503 -10.370
350 HB2 TRP 51 1HB TRP 51 13.060 28.170 -12.496
351 HB3 TRP 51 2HB TRP 51 12.052 29.455 -12.501
352 HD1 TRP 51 HD1 TRP 51 14.696 28.158 -10.156
353 HE1 TRP 51 HE1 TRP 51 16.032 30.011 -9.129
354 HE3 TRP 51 HE3 TRP 51 12.279 31.949 -12.343
355 HZ2 TRP 51 HZ2 TRP 51 15.951 32.825 -9.280
356 HZ3 TRP 51 HZ3 TRP 51 12.989 34.219 -11.869
357 HH2 TRP 51 HH2 TRP 51 14.802 34.637 -10.332
358 H ASN 52 H ASN 52 11.968 29.087 -8.722
359 HA ASN 52 HA ASN 52 9.371 30.084 -8.369
360 HB2 ASN 52 1HB ASN 52 10.682 29.293 -6.500
361 HB3 ASN 52 2HB ASN 52 11.690 30.563 -6.690
362 HD21 ASN 52 1HD2 ASN 52 9.954 32.356 -4.335
363 HD22 ASN 52 2HD2 ASN 52 11.481 31.749 -4.884
364 H GLY 53 H GLY 53 9.432 31.393 -10.385
365 HA2 GLY 53 1HA GLY 53 10.894 33.822 -10.256
366 HA3 GLY 53 2HA GLY 53 9.888 33.356 -11.455
367 H LEU 54 H LEU 54 9.431 33.928 -8.036
368 HA LEU 54 HA LEU 54 6.946 35.098 -8.382
369 HB2 LEU 54 1HB LEU 54 7.721 34.104 -6.312
370 HB3 LEU 54 2HB LEU 54 8.652 35.425 -6.076
371 HG LEU 54 HG LEU 54 5.981 36.120 -6.491
372 HD11 LEU 54 1HD1 LEU 54 5.120 35.270 -4.432
373 HD12 LEU 54 2HD1 LEU 54 6.504 34.472 -4.178
374 HD13 LEU 54 3HD1 LEU 54 5.540 34.049 -5.406
375 HD21 LEU 54 1HD2 LEU 54 6.320 37.477 -4.568
376 HD22 LEU 54 2HD2 LEU 54 7.539 37.678 -5.611
377 HD23 LEU 54 3HD2 LEU 54 7.742 36.756 -4.298
378 H VAL 55 H VAL 55 6.277 37.136 -8.861
379 HA VAL 55 HA VAL 55 8.294 39.227 -8.835
380 HB VAL 55 HB VAL 55 6.009 39.074 -10.623
381 HG11 VAL 55 1HG1 VAL 55 6.931 40.986 -11.750
382 HG12 VAL 55 2HG1 VAL 55 8.116 41.068 -10.652
383 HG13 VAL 55 3HG1 VAL 55 6.587 41.361 -10.215
384 HG21 VAL 55 1HG2 VAL 55 7.624 38.661 -12.385
385 HG22 VAL 55 2HG2 VAL 55 7.712 37.487 -11.277
386 HG23 VAL 55 3HG2 VAL 55 8.818 38.667 -11.294
387 HA PRO 56 HA PRO 56 5.424 40.825 -5.895
388 HB2 PRO 56 1HB PRO 56 6.786 42.855 -4.900
389 HB3 PRO 56 2HB PRO 56 7.447 41.373 -4.714
390 HG2 PRO 56 1HG PRO 56 8.039 43.314 -6.707
391 HG3 PRO 56 2HG PRO 56 9.091 42.456 -5.799
392 HD2 PRO 56 1HD PRO 56 8.433 41.715 -8.267
393 HD3 PRO 56 2HD PRO 56 8.941 40.637 -7.149
394 H ARG 57 H ARG 57 5.530 41.849 -8.759
395 HA ARG 57 HA ARG 57 4.046 44.269 -8.281
396 HB2 ARG 57 1HB ARG 57 5.493 43.474 -10.655
397 HB3 ARG 57 2HB ARG 57 4.533 44.795 -10.624
398 HG2 ARG 57 1HG ARG 57 5.962 45.767 -9.007
399 HG3 ARG 57 2HG ARG 57 6.938 44.461 -9.108
400 HD2 ARG 57 1HD ARG 57 7.762 46.260 -10.487
401 HD3 ARG 57 2HD ARG 57 7.389 44.955 -11.396
402 HE ARG 57 HE ARG 57 5.689 46.071 -12.421
403 HH11 ARG 57 1HH1 ARG 57 4.519 47.861 -12.925
404 HH12 ARG 57 2HH1 ARG 57 4.652 49.304 -11.975
405 HH21 ARG 57 1HH2 ARG 57 6.920 47.996 -9.739
406 HH22 ARG 57 2HH2 ARG 57 5.987 49.380 -10.202
Start of MODEL 18
1 H1 GLY 1 1H GLY 1 3.643 6.638 -0.627
2 H2 GLY 1 2H GLY 1 3.777 5.418 -1.679
3 H3 GLY 1 3H GLY 1 3.422 5.115 -0.131
4 HA2 GLY 1 1HA GLY 1 1.339 6.199 -0.389
5 HA3 GLY 1 2HA GLY 1 1.698 6.505 -1.952
6 H SER 2 H SER 2 -0.482 5.353 -2.241
7 HA SER 2 HA SER 2 -0.560 2.610 -1.822
8 HB2 SER 2 1HB SER 2 -2.606 3.714 -2.271
9 HB3 SER 2 2HB SER 2 -2.066 4.214 -3.729
10 HG SER 2 HG SER 2 -2.614 1.616 -2.998
11 HA PRO 3 HA PRO 3 2.012 1.433 -5.114
12 HB2 PRO 3 1HB PRO 3 1.405 -1.132 -5.584
13 HB3 PRO 3 2HB PRO 3 2.191 -0.748 -4.204
14 HG2 PRO 3 1HG PRO 3 -0.621 -1.125 -4.559
15 HG3 PRO 3 2HG PRO 3 0.334 -1.780 -3.408
16 HD2 PRO 3 1HD PRO 3 -1.057 0.336 -2.851
17 HD3 PRO 3 2HD PRO 3 0.442 0.178 -2.223
18 H THR 4 H THR 4 -1.336 1.086 -5.541
19 HA THR 4 HA THR 4 -1.077 0.838 -8.339
20 HB THR 4 HB THR 4 -3.581 0.964 -8.289
21 HG1 THR 4 HG1 THR 4 -4.592 1.392 -6.489
22 HG21 THR 4 1HG2 THR 4 -3.896 -1.136 -7.158
23 HG22 THR 4 2HG2 THR 4 -2.458 -0.981 -6.435
24 HG23 THR 4 3HG2 THR 4 -2.538 -1.224 -8.031
25 H PHE 5 H PHE 5 -0.731 3.329 -6.374
26 HA PHE 5 HA PHE 5 -2.310 5.315 -7.385
27 HB2 PHE 5 1HB PHE 5 -0.980 5.444 -5.348
28 HB3 PHE 5 2HB PHE 5 0.364 5.587 -6.264
29 HD1 PHE 5 HD1 PHE 5 1.050 7.690 -7.157
30 HD2 PHE 5 HD2 PHE 5 -2.604 7.321 -5.209
31 HE1 PHE 5 HE1 PHE 5 0.923 10.094 -6.959
32 HE2 PHE 5 HE2 PHE 5 -2.780 9.724 -5.075
33 HZ PHE 5 HZ PHE 5 -1.006 11.110 -5.937
34 H CYS 6 H CYS 6 0.783 4.283 -8.531
35 HA CYS 6 HA CYS 6 0.567 6.232 -10.628
36 HB2 CYS 6 1HB CYS 6 2.659 5.513 -9.043
37 HB3 CYS 6 2HB CYS 6 3.072 5.193 -10.591
38 H GLN 7 H GLN 7 -0.082 3.157 -10.257
39 HA GLN 7 HA GLN 7 1.259 1.978 -12.391
40 HB2 GLN 7 1HB GLN 7 -0.914 1.277 -10.723
41 HB3 GLN 7 2HB GLN 7 -0.722 0.411 -12.095
42 HG2 GLN 7 1HG GLN 7 1.416 -0.275 -11.401
43 HG3 GLN 7 2HG GLN 7 1.308 0.661 -10.067
44 HE21 GLN 7 1HE2 GLN 7 0.546 -2.367 -8.477
45 HE22 GLN 7 2HE2 GLN 7 1.829 -1.261 -8.837
46 H GLY 8 H GLY 8 0.983 2.185 -14.544
47 HA2 GLY 8 1HA GLY 8 -0.152 2.571 -16.458
48 HA3 GLY 8 2HA GLY 8 -1.568 2.475 -15.650
49 H LYS 9 H LYS 9 0.601 4.788 -14.461
50 HA LYS 9 HA LYS 9 -1.049 6.851 -15.594
51 HB2 LYS 9 1HB LYS 9 0.334 6.702 -13.156
52 HB3 LYS 9 2HB LYS 9 0.332 8.180 -13.850
53 HG2 LYS 9 1HG LYS 9 -1.482 8.145 -12.468
54 HG3 LYS 9 2HG LYS 9 -2.076 8.001 -13.982
55 HD2 LYS 9 1HD LYS 9 -2.356 5.688 -13.691
56 HD3 LYS 9 2HD LYS 9 -1.655 5.763 -12.218
57 HE2 LYS 9 1HE LYS 9 -4.181 6.975 -12.879
58 HE3 LYS 9 2HE LYS 9 -4.014 5.597 -12.019
59 HZ1 LYS 9 1HZ LYS 9 -4.393 7.425 -10.567
60 HZ2 LYS 9 2HZ LYS 9 -3.087 8.177 -11.152
61 HZ3 LYS 9 3HZ LYS 9 -2.920 6.812 -10.301
62 H ALA 10 H ALA 10 -0.292 8.611 -16.701
63 HA ALA 10 HA ALA 10 2.075 8.235 -18.112
64 HB1 ALA 10 1HB ALA 10 0.260 9.495 -19.075
65 HB2 ALA 10 2HB ALA 10 1.587 10.419 -19.069
66 HB3 ALA 10 3HB ALA 10 0.440 10.643 -17.951
67 H ASP 11 H ASP 11 4.020 9.465 -18.102
68 HA ASP 11 HA ASP 11 4.981 9.983 -15.580
69 HB2 ASP 11 1HB ASP 11 6.105 10.771 -18.148
70 HB3 ASP 11 2HB ASP 11 6.966 10.763 -16.760
71 H GLY 12 H GLY 12 5.981 11.968 -14.713
72 HA2 GLY 12 1HA GLY 12 6.072 14.377 -15.069
73 HA3 GLY 12 2HA GLY 12 4.514 14.323 -15.556
74 H LEU 13 H LEU 13 4.590 16.143 -13.795
75 HA LEU 13 HA LEU 13 4.446 14.951 -11.219
76 HB2 LEU 13 1HB LEU 13 4.340 17.767 -11.869
77 HB3 LEU 13 2HB LEU 13 4.457 17.186 -10.347
78 HG LEU 13 HG LEU 13 6.552 17.240 -12.307
79 HD11 LEU 13 1HD1 LEU 13 7.612 18.659 -10.632
80 HD12 LEU 13 2HD1 LEU 13 6.327 18.477 -9.668
81 HD13 LEU 13 3HD1 LEU 13 6.188 19.298 -11.055
82 HD21 LEU 13 1HD2 LEU 13 7.984 16.189 -10.773
83 HD22 LEU 13 2HD2 LEU 13 6.777 15.199 -11.194
84 HD23 LEU 13 3HD2 LEU 13 6.744 15.950 -9.763
85 H TYR 14 H TYR 14 2.756 15.267 -9.713
86 HA TYR 14 HA TYR 14 0.209 16.123 -10.803
87 HB2 TYR 14 1HB TYR 14 0.668 13.701 -9.310
88 HB3 TYR 14 2HB TYR 14 -0.824 14.294 -9.611
89 HD1 TYR 14 HD1 TYR 14 2.018 12.756 -11.116
90 HD2 TYR 14 HD2 TYR 14 -1.894 13.959 -11.783
91 HE1 TYR 14 HE1 TYR 14 2.012 11.540 -13.206
92 HE2 TYR 14 HE2 TYR 14 -1.925 12.708 -13.861
93 HH TYR 14 HH TYR 14 0.032 10.387 -14.703
94 HA PRO 15 HA PRO 15 0.456 18.400 -7.135
95 HB2 PRO 15 1HB PRO 15 -2.050 19.159 -6.605
96 HB3 PRO 15 2HB PRO 15 -1.303 19.777 -7.919
97 HG2 PRO 15 1HG PRO 15 -3.095 17.555 -7.818
98 HG3 PRO 15 2HG PRO 15 -3.139 18.826 -8.843
99 HD2 PRO 15 1HD PRO 15 -2.063 16.590 -9.614
100 HD3 PRO 15 2HD PRO 15 -1.421 18.007 -10.112
101 H ASN 16 H ASN 16 0.537 18.361 -4.952
102 HA ASN 16 HA ASN 16 -0.515 15.916 -3.856
103 HB2 ASN 16 1HB ASN 16 1.912 16.289 -3.805
104 HB3 ASN 16 2HB ASN 16 1.636 17.484 -2.726
105 HD21 ASN 16 1HD2 ASN 16 2.272 13.940 -1.388
106 HD22 ASN 16 2HD2 ASN 16 2.792 14.609 -2.898
107 HA PRO 17 HA PRO 17 -2.980 18.623 -1.528
108 HB2 PRO 17 1HB PRO 17 -4.729 16.924 -0.415
109 HB3 PRO 17 2HB PRO 17 -4.747 17.036 -2.044
110 HG2 PRO 17 1HG PRO 17 -3.313 15.135 -0.454
111 HG3 PRO 17 2HG PRO 17 -4.334 14.819 -1.690
112 HD2 PRO 17 1HD PRO 17 -1.782 14.908 -2.109
113 HD3 PRO 17 2HD PRO 17 -2.816 15.441 -3.255
114 H ARG 18 H ARG 18 -1.013 16.418 0.003
115 HA ARG 18 HA ARG 18 -1.720 17.615 2.459
116 HB2 ARG 18 1HB ARG 18 -1.178 14.798 1.912
117 HB3 ARG 18 2HB ARG 18 -1.013 15.301 3.457
118 HG2 ARG 18 1HG ARG 18 -3.337 15.926 3.413
119 HG3 ARG 18 2HG ARG 18 -3.447 15.189 1.960
120 HD2 ARG 18 1HD ARG 18 -2.801 13.138 2.914
121 HD3 ARG 18 2HD ARG 18 -2.571 13.858 4.361
122 HE ARG 18 HE ARG 18 -5.214 14.217 3.541
123 HH11 ARG 18 1HH1 ARG 18 -6.852 13.101 4.529
124 HH12 ARG 18 2HH1 ARG 18 -6.518 11.673 5.449
125 HH21 ARG 18 1HH2 ARG 18 -3.113 11.760 4.935
126 HH22 ARG 18 2HH2 ARG 18 -4.437 10.925 5.677
127 H GLU 19 H GLU 19 1.043 16.172 0.964
128 HA GLU 19 HA GLU 19 2.454 15.871 3.206
129 HB2 GLU 19 1HB GLU 19 3.178 16.033 0.469
130 HB3 GLU 19 2HB GLU 19 4.440 16.310 1.468
131 HG2 GLU 19 1HG GLU 19 4.625 14.101 1.097
132 HG3 GLU 19 2HG GLU 19 3.806 14.132 2.509
133 H ARG 20 H ARG 20 3.224 18.584 1.108
134 HA ARG 20 HA ARG 20 3.418 20.413 3.185
135 HB2 ARG 20 1HB ARG 20 5.470 19.111 3.641
136 HB3 ARG 20 2HB ARG 20 6.074 19.739 2.259
137 HG2 ARG 20 1HG ARG 20 6.941 21.028 3.950
138 HG3 ARG 20 2HG ARG 20 5.776 21.946 3.267
139 HD2 ARG 20 1HD ARG 20 4.270 21.345 5.021
140 HD3 ARG 20 2HD ARG 20 5.429 20.418 5.702
141 HE ARG 20 HE ARG 20 5.267 23.275 5.777
142 HH11 ARG 20 1HH1 ARG 20 7.210 20.450 6.604
143 HH12 ARG 20 2HH1 ARG 20 8.181 21.347 7.724
144 HH21 ARG 20 1HH2 ARG 20 6.546 24.338 7.228
145 HH22 ARG 20 2HH2 ARG 20 7.811 23.507 8.070
146 H SER 21 H SER 21 5.935 20.723 0.980
147 HA SER 21 HA SER 21 4.372 22.350 -0.860
148 HB2 SER 21 1HB SER 21 6.525 23.464 -1.275
149 HB3 SER 21 2HB SER 21 5.924 23.732 0.220
150 HG SER 21 HG SER 21 7.267 21.633 0.542
151 H SER 22 H SER 22 5.191 19.463 -0.482
152 HA SER 22 HA SER 22 6.834 18.927 -2.716
153 HB2 SER 22 1HB SER 22 5.781 16.604 -1.687
154 HB3 SER 22 2HB SER 22 7.283 17.173 -1.392
155 HG SER 22 HG SER 22 4.989 17.689 0.044
156 H PHE 23 H PHE 23 6.128 16.965 -4.123
157 HA PHE 23 HA PHE 23 3.411 17.364 -5.001
158 HB2 PHE 23 1HB PHE 23 4.282 17.186 -7.306
159 HB3 PHE 23 2HB PHE 23 4.628 18.593 -6.552
160 HD1 PHE 23 HD1 PHE 23 6.771 19.399 -6.632
161 HD2 PHE 23 HD2 PHE 23 6.173 15.320 -7.125
162 HE1 PHE 23 HE1 PHE 23 9.119 19.116 -7.104
163 HE2 PHE 23 HE2 PHE 23 8.525 15.020 -7.559
164 HZ PHE 23 HZ PHE 23 10.003 16.920 -7.545
165 H TYR 24 H TYR 24 2.891 15.555 -6.720
166 HA TYR 24 HA TYR 24 4.060 13.051 -5.844
167 HB2 TYR 24 1HB TYR 24 1.645 13.581 -7.297
168 HB3 TYR 24 2HB TYR 24 2.274 12.077 -7.195
169 HD1 TYR 24 HD1 TYR 24 2.784 11.370 -4.629
170 HD2 TYR 24 HD2 TYR 24 -0.151 14.014 -5.898
171 HE1 TYR 24 HE1 TYR 24 1.537 10.960 -2.599
172 HE2 TYR 24 HE2 TYR 24 -1.415 13.578 -3.891
173 HH TYR 24 HH TYR 24 -1.671 11.820 -2.163
174 H SER 25 H SER 25 5.199 11.848 -7.504
175 HA SER 25 HA SER 25 5.322 13.090 -10.108
176 HB2 SER 25 1HB SER 25 7.337 13.723 -8.997
177 HB3 SER 25 2HB SER 25 7.654 12.157 -8.657
178 HG SER 25 HG SER 25 8.849 12.709 -10.389
179 H CYS 26 H CYS 26 5.361 11.639 -11.816
180 HA CYS 26 HA CYS 26 5.370 8.844 -11.061
181 HB2 CYS 26 1HB CYS 26 3.351 10.050 -12.047
182 HB3 CYS 26 2HB CYS 26 4.090 9.578 -13.425
183 H ALA 27 H ALA 27 6.998 7.673 -11.923
184 HA ALA 27 HA ALA 27 8.159 8.577 -14.404
185 HB1 ALA 27 1HB ALA 27 9.630 9.450 -12.732
186 HB2 ALA 27 2HB ALA 27 10.394 8.266 -13.527
187 HB3 ALA 27 3HB ALA 27 9.771 7.985 -12.061
188 H ALA 28 H ALA 28 8.111 6.909 -15.824
189 HA ALA 28 HA ALA 28 7.825 4.845 -16.549
190 HB1 ALA 28 1HB ALA 28 10.145 4.558 -15.854
191 HB2 ALA 28 2HB ALA 28 9.376 3.139 -15.756
192 HB3 ALA 28 3HB ALA 28 9.648 4.005 -14.418
193 H GLY 29 H GLY 29 5.822 5.726 -14.756
194 HA2 GLY 29 1HA GLY 29 3.962 4.792 -13.878
195 HA3 GLY 29 2HA GLY 29 4.489 3.308 -14.312
196 H ARG 30 H ARG 30 6.537 5.134 -12.332
197 HA ARG 30 HA ARG 30 5.767 3.584 -10.002
198 HB2 ARG 30 1HB ARG 30 8.430 4.551 -10.557
199 HB3 ARG 30 2HB ARG 30 8.013 3.616 -9.285
200 HG2 ARG 30 1HG ARG 30 7.960 2.732 -12.024
201 HG3 ARG 30 2HG ARG 30 9.143 2.360 -10.961
202 HD2 ARG 30 1HD ARG 30 7.627 1.090 -9.667
203 HD3 ARG 30 2HD ARG 30 6.391 1.529 -10.641
204 HE ARG 30 HE ARG 30 8.425 -0.404 -11.235
205 HH11 ARG 30 1HH1 ARG 30 8.106 -1.735 -12.965
206 HH12 ARG 30 2HH1 ARG 30 6.777 -1.481 -14.046
207 HH21 ARG 30 1HH2 ARG 30 5.565 1.294 -12.413
208 HH22 ARG 30 2HH2 ARG 30 5.366 0.200 -13.741
209 H LEU 31 H LEU 31 5.764 4.658 -7.951
210 HA LEU 31 HA LEU 31 5.240 7.421 -8.300
211 HB2 LEU 31 1HB LEU 31 3.639 6.167 -7.057
212 HB3 LEU 31 2HB LEU 31 4.800 5.664 -6.024
213 HG LEU 31 HG LEU 31 4.915 7.838 -5.086
214 HD11 LEU 31 1HD1 LEU 31 3.388 9.555 -5.692
215 HD12 LEU 31 2HD1 LEU 31 2.813 8.633 -6.890
216 HD13 LEU 31 3HD1 LEU 31 4.335 9.177 -6.948
217 HD21 LEU 31 1HD2 LEU 31 2.756 7.786 -3.996
218 HD22 LEU 31 2HD2 LEU 31 3.349 6.286 -4.115
219 HD23 LEU 31 3HD2 LEU 31 2.203 6.787 -5.141
220 H PHE 32 H PHE 32 6.496 9.071 -7.787
221 HA PHE 32 HA PHE 32 8.409 8.672 -5.649
222 HB2 PHE 32 1HB PHE 32 8.660 10.343 -7.971
223 HB3 PHE 32 2HB PHE 32 9.629 10.530 -6.670
224 HD1 PHE 32 HD1 PHE 32 8.711 8.137 -9.209
225 HD2 PHE 32 HD2 PHE 32 11.591 9.238 -6.421
226 HE1 PHE 32 HE1 PHE 32 10.184 6.440 -10.082
227 HE2 PHE 32 HE2 PHE 32 13.084 7.547 -7.284
228 HZ PHE 32 HZ PHE 32 12.382 6.145 -9.123
229 H GLN 33 H GLN 33 8.054 9.964 -3.829
230 HA GLN 33 HA GLN 33 6.195 12.207 -4.119
231 HB2 GLN 33 1HB GLN 33 6.661 10.530 -1.851
232 HB3 GLN 33 2HB GLN 33 5.836 11.936 -1.754
233 HG2 GLN 33 1HG GLN 33 4.065 11.102 -2.965
234 HG3 GLN 33 2HG GLN 33 4.944 9.847 -3.530
235 HE21 GLN 33 1HE2 GLN 33 3.304 9.619 0.154
236 HE22 GLN 33 2HE2 GLN 33 3.650 11.152 -0.574
237 H GLN 34 H GLN 34 7.420 14.054 -4.368
238 HA GLN 34 HA GLN 34 9.800 14.323 -2.791
239 HB2 GLN 34 1HB GLN 34 9.802 14.497 -5.692
240 HB3 GLN 34 2HB GLN 34 11.077 14.961 -4.783
241 HG2 GLN 34 1HG GLN 34 11.463 12.750 -4.133
242 HG3 GLN 34 2HG GLN 34 10.129 12.256 -4.936
243 HE21 GLN 34 1HE2 GLN 34 13.558 12.274 -6.808
244 HE22 GLN 34 2HE2 GLN 34 13.339 12.314 -5.090
245 H SER 35 H SER 35 10.826 16.582 -3.084
246 HA SER 35 HA SER 35 8.735 18.504 -3.634
247 HB2 SER 35 1HB SER 35 9.888 19.959 -2.026
248 HB3 SER 35 2HB SER 35 9.341 18.591 -1.322
249 HG SER 35 HG SER 35 11.369 18.800 -0.641
250 H CYS 36 H CYS 36 9.423 20.613 -4.523
251 HA CYS 36 HA CYS 36 11.522 20.272 -6.446
252 HB2 CYS 36 1HB CYS 36 9.434 21.238 -6.981
253 HB3 CYS 36 2HB CYS 36 9.815 22.501 -6.019
254 HA PRO 37 HA PRO 37 14.094 22.030 -3.534
255 HB2 PRO 37 1HB PRO 37 16.426 22.457 -4.857
256 HB3 PRO 37 2HB PRO 37 15.979 20.934 -4.472
257 HG2 PRO 37 1HG PRO 37 15.568 22.295 -6.959
258 HG3 PRO 37 2HG PRO 37 16.156 20.787 -6.734
259 HD2 PRO 37 1HD PRO 37 13.663 21.092 -7.345
260 HD3 PRO 37 2HD PRO 37 14.084 19.926 -6.282
261 H THR 38 H THR 38 14.623 24.001 -6.386
262 HA THR 38 HA THR 38 14.549 26.230 -4.589
263 HB THR 38 HB THR 38 16.609 26.164 -5.858
264 HG1 THR 38 HG1 THR 38 15.719 28.305 -7.093
265 HG21 THR 38 1HG2 THR 38 16.610 26.457 -8.225
266 HG22 THR 38 2HG2 THR 38 14.993 26.465 -8.244
267 HG23 THR 38 3HG2 THR 38 15.790 25.110 -7.866
268 H GLY 39 H GLY 39 13.170 28.019 -4.757
269 HA2 GLY 39 1HA GLY 39 11.649 29.319 -5.797
270 HA3 GLY 39 2HA GLY 39 11.971 28.567 -7.210
271 H LEU 40 H LEU 40 10.813 26.680 -4.621
272 HA LEU 40 HA LEU 40 9.323 25.416 -6.416
273 HB2 LEU 40 1HB LEU 40 8.208 24.522 -4.159
274 HB3 LEU 40 2HB LEU 40 9.720 24.070 -4.583
275 HG LEU 40 HG LEU 40 10.583 25.725 -3.100
276 HD11 LEU 40 1HD1 LEU 40 9.233 26.725 -1.414
277 HD12 LEU 40 2HD1 LEU 40 7.904 26.145 -2.130
278 HD13 LEU 40 3HD1 LEU 40 8.808 27.256 -2.881
279 HD21 LEU 40 1HD2 LEU 40 10.065 24.435 -1.072
280 HD22 LEU 40 2HD2 LEU 40 10.330 23.433 -2.313
281 HD23 LEU 40 3HD2 LEU 40 8.817 23.755 -1.842
282 H VAL 41 H VAL 41 7.743 25.827 -7.624
283 HA VAL 41 HA VAL 41 5.205 26.052 -6.322
284 HB VAL 41 HB VAL 41 4.303 27.536 -8.042
285 HG11 VAL 41 1HG1 VAL 41 5.107 29.568 -7.047
286 HG12 VAL 41 2HG1 VAL 41 6.326 28.755 -6.362
287 HG13 VAL 41 3HG1 VAL 41 4.803 28.473 -5.897
288 HG21 VAL 41 1HG2 VAL 41 5.789 28.865 -9.336
289 HG22 VAL 41 2HG2 VAL 41 5.960 27.302 -9.714
290 HG23 VAL 41 3HG2 VAL 41 7.048 28.028 -8.764
291 H PHE 42 H PHE 42 3.464 25.145 -7.870
292 HA PHE 42 HA PHE 42 4.688 23.343 -9.772
293 HB2 PHE 42 1HB PHE 42 3.734 22.062 -8.071
294 HB3 PHE 42 2HB PHE 42 2.355 22.937 -8.114
295 HD1 PHE 42 HD1 PHE 42 4.241 21.102 -10.648
296 HD2 PHE 42 HD2 PHE 42 0.547 21.680 -8.830
297 HE1 PHE 42 HE1 PHE 42 3.242 19.544 -12.186
298 HE2 PHE 42 HE2 PHE 42 -0.447 20.085 -10.334
299 HZ PHE 42 HZ PHE 42 0.901 19.016 -12.018
300 H SER 43 H SER 43 4.146 23.480 -11.882
301 HA SER 43 HA SER 43 1.877 25.143 -12.492
302 HB2 SER 43 1HB SER 43 3.865 26.049 -13.410
303 HB3 SER 43 2HB SER 43 4.204 24.631 -14.148
304 HG SER 43 HG SER 43 2.485 24.883 -15.487
305 H ASN 44 H ASN 44 0.086 24.103 -13.041
306 HA ASN 44 HA ASN 44 0.101 21.446 -13.671
307 HB2 ASN 44 1HB ASN 44 -1.944 23.488 -13.877
308 HB3 ASN 44 2HB ASN 44 -2.297 21.995 -14.438
309 HD21 ASN 44 1HD2 ASN 44 -2.791 22.778 -10.644
310 HD22 ASN 44 2HD2 ASN 44 -2.558 23.965 -11.884
311 H SER 45 H SER 45 0.292 24.148 -15.771
312 HA SER 45 HA SER 45 -0.632 22.877 -18.036
313 HB2 SER 45 1HB SER 45 0.477 24.782 -19.225
314 HB3 SER 45 2HB SER 45 -0.514 25.264 -18.019
315 HG SER 45 HG SER 45 1.121 25.761 -16.763
316 H CYS 46 H CYS 46 2.527 22.968 -16.710
317 HA CYS 46 HA CYS 46 3.513 21.482 -18.964
318 HB2 CYS 46 1HB CYS 46 5.670 21.939 -18.160
319 HB3 CYS 46 2HB CYS 46 4.819 23.315 -18.380
320 H LYS 47 H LYS 47 2.156 20.934 -16.104
321 HA LYS 47 HA LYS 47 2.262 19.348 -14.515
322 HB2 LYS 47 1HB LYS 47 3.203 17.649 -16.645
323 HB3 LYS 47 2HB LYS 47 2.689 17.081 -15.203
324 HG2 LYS 47 1HG LYS 47 0.940 18.581 -16.913
325 HG3 LYS 47 2HG LYS 47 1.073 16.959 -17.051
326 HD2 LYS 47 1HD LYS 47 0.537 17.789 -14.425
327 HD3 LYS 47 2HD LYS 47 -0.664 18.164 -15.466
328 HE2 LYS 47 1HE LYS 47 -1.093 16.041 -14.510
329 HE3 LYS 47 2HE LYS 47 -0.809 15.864 -16.108
330 HZ1 LYS 47 1HZ LYS 47 0.337 14.187 -14.884
331 HZ2 LYS 47 2HZ LYS 47 1.125 15.322 -14.043
332 HZ3 LYS 47 3HZ LYS 47 1.407 15.146 -15.626
333 H CYS 48 H CYS 48 4.325 21.093 -14.409
334 HA CYS 48 HA CYS 48 6.513 19.516 -13.510
335 HB2 CYS 48 1HB CYS 48 8.063 20.429 -14.855
336 HB3 CYS 48 2HB CYS 48 6.802 20.119 -15.845
337 H CYS 49 H CYS 49 8.276 20.819 -12.408
338 HA CYS 49 HA CYS 49 7.082 22.820 -10.784
339 HB2 CYS 49 1HB CYS 49 8.571 21.342 -9.802
340 HB3 CYS 49 2HB CYS 49 9.748 21.803 -10.836
341 H THR 50 H THR 50 7.436 25.053 -10.970
342 HA THR 50 HA THR 50 9.390 25.888 -12.937
343 HB THR 50 HB THR 50 7.926 27.815 -13.426
344 HG1 THR 50 HG1 THR 50 5.638 27.068 -12.820
345 HG21 THR 50 1HG2 THR 50 6.426 26.609 -14.854
346 HG22 THR 50 2HG2 THR 50 6.726 25.242 -14.044
347 HG23 THR 50 3HG2 THR 50 7.886 25.920 -14.944
348 H TRP 51 H TRP 51 10.187 28.205 -12.418
349 HA TRP 51 HA TRP 51 10.557 28.489 -9.621
350 HB2 TRP 51 1HB TRP 51 11.941 29.347 -11.691
351 HB3 TRP 51 2HB TRP 51 11.264 30.722 -11.129
352 HD1 TRP 51 HD1 TRP 51 13.632 28.068 -10.004
353 HE1 TRP 51 HE1 TRP 51 15.073 28.800 -8.090
354 HE3 TRP 51 HE3 TRP 51 11.443 32.499 -9.232
355 HZ2 TRP 51 HZ2 TRP 51 15.154 31.074 -6.431
356 HZ3 TRP 51 HZ3 TRP 51 12.264 33.913 -7.443
357 HH2 TRP 51 HH2 TRP 51 14.102 33.188 -6.053
358 H ASN 52 H ASN 52 9.602 30.171 -8.267
359 HA ASN 52 HA ASN 52 7.016 30.827 -8.967
360 HB2 ASN 52 1HB ASN 52 6.930 32.158 -7.022
361 HB3 ASN 52 2HB ASN 52 7.729 30.774 -6.685
362 HD21 ASN 52 1HD2 ASN 52 10.724 32.228 -5.817
363 HD22 ASN 52 2HD2 ASN 52 9.907 30.751 -6.206
364 H GLY 53 H GLY 53 6.016 32.645 -9.856
365 HA2 GLY 53 1HA GLY 53 5.994 34.709 -10.800
366 HA3 GLY 53 2HA GLY 53 7.572 34.928 -10.440
367 H LEU 54 H LEU 54 7.669 32.140 -12.025
368 HA LEU 54 HA LEU 54 8.338 33.509 -14.419
369 HB2 LEU 54 1HB LEU 54 9.195 31.097 -13.252
370 HB3 LEU 54 2HB LEU 54 9.014 30.961 -14.870
371 HG LEU 54 HG LEU 54 11.247 31.376 -14.266
372 HD11 LEU 54 1HD1 LEU 54 11.692 33.163 -15.837
373 HD12 LEU 54 2HD1 LEU 54 10.124 33.558 -15.820
374 HD13 LEU 54 3HD1 LEU 54 10.594 32.138 -16.436
375 HD21 LEU 54 1HD2 LEU 54 11.930 33.515 -13.382
376 HD22 LEU 54 2HD2 LEU 54 10.981 32.737 -12.329
377 HD23 LEU 54 3HD2 LEU 54 10.377 33.939 -13.225
378 H VAL 55 H VAL 55 7.913 32.705 -16.559
379 HA VAL 55 HA VAL 55 5.192 31.897 -16.834
380 HB VAL 55 HB VAL 55 7.109 32.483 -18.948
381 HG11 VAL 55 1HG1 VAL 55 5.218 32.843 -20.380
382 HG12 VAL 55 2HG1 VAL 55 4.221 32.430 -19.175
383 HG13 VAL 55 3HG1 VAL 55 5.211 31.326 -19.820
384 HG21 VAL 55 1HG2 VAL 55 6.151 34.722 -19.009
385 HG22 VAL 55 2HG2 VAL 55 6.801 34.448 -17.554
386 HG23 VAL 55 3HG2 VAL 55 5.200 34.349 -17.756
387 HA PRO 56 HA PRO 56 6.562 27.767 -17.319
388 HB2 PRO 56 1HB PRO 56 4.313 26.450 -17.835
389 HB3 PRO 56 2HB PRO 56 4.443 27.170 -16.375
390 HG2 PRO 56 1HG PRO 56 3.177 28.190 -18.714
391 HG3 PRO 56 2HG PRO 56 2.563 28.106 -17.203
392 HD2 PRO 56 1HD PRO 56 3.645 30.330 -18.073
393 HD3 PRO 56 2HD PRO 56 3.752 29.923 -16.495
394 H ARG 57 H ARG 57 5.891 29.590 -19.798
395 HA ARG 57 HA ARG 57 6.700 27.570 -21.681
396 HB2 ARG 57 1HB ARG 57 4.808 29.697 -22.184
397 HB3 ARG 57 2HB ARG 57 5.389 28.722 -23.358
398 HG2 ARG 57 1HG ARG 57 4.422 26.950 -21.761
399 HG3 ARG 57 2HG ARG 57 3.401 28.187 -21.456
400 HD2 ARG 57 1HD ARG 57 2.501 26.913 -23.177
401 HD3 ARG 57 2HD ARG 57 2.973 28.347 -23.801
402 HE ARG 57 HE ARG 57 5.058 26.502 -24.018
403 HH11 ARG 57 1HH1 ARG 57 2.004 27.283 -25.583
404 HH12 ARG 57 2HH1 ARG 57 2.502 26.579 -27.085
405 HH21 ARG 57 1HH2 ARG 57 5.625 25.651 -25.960
406 HH22 ARG 57 2HH2 ARG 57 4.520 25.670 -27.293
Start of MODEL 19
1 H1 GLY 1 1H GLY 1 7.819 3.932 -4.377
2 H2 GLY 1 2H GLY 1 7.350 3.426 -5.839
3 H3 GLY 1 3H GLY 1 7.606 2.354 -4.656
4 HA2 GLY 1 1HA GLY 1 5.769 3.225 -3.458
5 HA3 GLY 1 2HA GLY 1 5.510 4.308 -4.653
6 H SER 2 H SER 2 3.265 3.332 -4.618
7 HA SER 2 HA SER 2 2.968 0.727 -5.437
8 HB2 SER 2 1HB SER 2 1.067 1.845 -4.544
9 HB3 SER 2 2HB SER 2 1.093 2.939 -5.756
10 HG SER 2 HG SER 2 0.362 0.300 -5.868
11 HA PRO 3 HA PRO 3 3.886 1.324 -9.650
12 HB2 PRO 3 1HB PRO 3 3.453 -1.088 -10.710
13 HB3 PRO 3 2HB PRO 3 4.739 -0.894 -9.722
14 HG2 PRO 3 1HG PRO 3 2.165 -1.928 -9.057
15 HG3 PRO 3 2HG PRO 3 3.624 -2.554 -8.674
16 HD2 PRO 3 1HD PRO 3 2.306 -1.097 -6.936
17 HD3 PRO 3 2HD PRO 3 3.939 -1.071 -6.965
18 H THR 4 H THR 4 0.835 0.126 -8.721
19 HA THR 4 HA THR 4 -0.276 0.452 -11.251
20 HB THR 4 HB THR 4 -2.448 0.092 -10.044
21 HG1 THR 4 HG1 THR 4 -2.511 0.412 -8.008
22 HG21 THR 4 1HG2 THR 4 -1.955 -2.148 -9.348
23 HG22 THR 4 2HG2 THR 4 -0.373 -1.816 -9.344
24 HG23 THR 4 3HG2 THR 4 -1.186 -1.860 -10.741
25 H PHE 5 H PHE 5 0.282 2.546 -8.707
26 HA PHE 5 HA PHE 5 -1.773 4.349 -9.098
27 HB2 PHE 5 1HB PHE 5 -0.397 4.312 -7.139
28 HB3 PHE 5 2HB PHE 5 0.875 4.824 -8.025
29 HD1 PHE 5 HD1 PHE 5 1.170 7.143 -8.578
30 HD2 PHE 5 HD2 PHE 5 -2.237 5.872 -6.564
31 HE1 PHE 5 HE1 PHE 5 0.721 9.423 -7.912
32 HE2 PHE 5 HE2 PHE 5 -2.762 8.158 -5.994
33 HZ PHE 5 HZ PHE 5 -1.275 9.933 -6.656
34 H CYS 6 H CYS 6 1.191 3.957 -10.739
35 HA CYS 6 HA CYS 6 0.630 6.319 -12.268
36 HB2 CYS 6 1HB CYS 6 3.092 4.985 -11.780
37 HB3 CYS 6 2HB CYS 6 2.963 6.074 -12.991
38 H GLN 7 H GLN 7 -0.126 3.285 -12.537
39 HA GLN 7 HA GLN 7 0.844 2.657 -15.081
40 HB2 GLN 7 1HB GLN 7 -0.867 1.441 -13.264
41 HB3 GLN 7 2HB GLN 7 -1.333 1.185 -14.808
42 HG2 GLN 7 1HG GLN 7 0.875 0.348 -15.262
43 HG3 GLN 7 2HG GLN 7 1.193 0.459 -13.664
44 HE21 GLN 7 1HE2 GLN 7 -0.181 -2.905 -14.917
45 HE22 GLN 7 2HE2 GLN 7 0.790 -1.757 -15.778
46 H GLY 8 H GLY 8 -0.048 2.999 -17.140
47 HA2 GLY 8 1HA GLY 8 -1.516 3.895 -18.614
48 HA3 GLY 8 2HA GLY 8 -2.663 3.941 -17.453
49 H LYS 9 H LYS 9 0.205 5.516 -16.706
50 HA LYS 9 HA LYS 9 -0.947 8.095 -17.334
51 HB2 LYS 9 1HB LYS 9 0.357 7.341 -14.894
52 HB3 LYS 9 2HB LYS 9 0.062 8.900 -15.283
53 HG2 LYS 9 1HG LYS 9 -2.274 8.383 -15.380
54 HG3 LYS 9 2HG LYS 9 -1.928 6.877 -14.852
55 HD2 LYS 9 1HD LYS 9 -0.851 7.909 -12.991
56 HD3 LYS 9 2HD LYS 9 -1.529 9.311 -13.482
57 HE2 LYS 9 1HE LYS 9 -3.684 8.441 -13.164
58 HE3 LYS 9 2HE LYS 9 -3.079 6.957 -12.853
59 HZ1 LYS 9 1HZ LYS 9 -3.694 8.028 -10.837
60 HZ2 LYS 9 2HZ LYS 9 -2.694 9.254 -11.172
61 HZ3 LYS 9 3HZ LYS 9 -2.096 7.784 -10.863
62 H ALA 10 H ALA 10 0.451 9.745 -18.015
63 HA ALA 10 HA ALA 10 2.894 8.861 -19.086
64 HB1 ALA 10 1HB ALA 10 1.699 10.630 -20.183
65 HB2 ALA 10 2HB ALA 10 3.161 11.182 -19.768
66 HB3 ALA 10 3HB ALA 10 1.866 11.578 -18.884
67 H ASP 11 H ASP 11 5.067 9.602 -18.457
68 HA ASP 11 HA ASP 11 5.423 9.824 -15.697
69 HB2 ASP 11 1HB ASP 11 7.226 10.142 -17.896
70 HB3 ASP 11 2HB ASP 11 7.730 10.511 -16.386
71 H GLY 12 H GLY 12 6.043 11.673 -14.415
72 HA2 GLY 12 1HA GLY 12 6.452 14.166 -14.900
73 HA3 GLY 12 2HA GLY 12 4.932 14.100 -15.494
74 H LEU 13 H LEU 13 4.790 15.856 -13.676
75 HA LEU 13 HA LEU 13 4.473 14.571 -11.147
76 HB2 LEU 13 1HB LEU 13 4.397 17.397 -11.711
77 HB3 LEU 13 2HB LEU 13 4.385 16.759 -10.207
78 HG LEU 13 HG LEU 13 6.639 16.845 -11.990
79 HD11 LEU 13 1HD1 LEU 13 7.595 18.209 -10.219
80 HD12 LEU 13 2HD1 LEU 13 6.235 18.044 -9.360
81 HD13 LEU 13 3HD1 LEU 13 6.221 18.883 -10.742
82 HD21 LEU 13 1HD2 LEU 13 7.928 15.727 -10.355
83 HD22 LEU 13 2HD2 LEU 13 6.744 14.767 -10.895
84 HD23 LEU 13 3HD2 LEU 13 6.603 15.494 -9.457
85 H TYR 14 H TYR 14 2.595 14.754 -9.795
86 HA TYR 14 HA TYR 14 0.210 15.488 -11.229
87 HB2 TYR 14 1HB TYR 14 0.728 12.951 -9.931
88 HB3 TYR 14 2HB TYR 14 -0.809 13.419 -10.224
89 HD1 TYR 14 HD1 TYR 14 2.173 12.210 -11.712
90 HD2 TYR 14 HD2 TYR 14 -1.690 13.483 -12.537
91 HE1 TYR 14 HE1 TYR 14 2.378 11.356 -13.961
92 HE2 TYR 14 HE2 TYR 14 -1.496 12.618 -14.788
93 HH TYR 14 HH TYR 14 0.628 10.498 -15.822
94 HA PRO 15 HA PRO 15 -1.063 17.488 -7.669
95 HB2 PRO 15 1HB PRO 15 -3.749 17.257 -7.659
96 HB3 PRO 15 2HB PRO 15 -3.032 18.211 -8.774
97 HG2 PRO 15 1HG PRO 15 -3.848 15.501 -9.072
98 HG3 PRO 15 2HG PRO 15 -4.177 16.759 -10.061
99 HD2 PRO 15 1HD PRO 15 -2.235 15.199 -10.677
100 HD3 PRO 15 2HD PRO 15 -2.035 16.806 -10.889
101 H ASN 16 H ASN 16 -0.990 17.334 -5.649
102 HA ASN 16 HA ASN 16 -1.535 14.739 -4.557
103 HB2 ASN 16 1HB ASN 16 0.424 15.121 -3.165
104 HB3 ASN 16 2HB ASN 16 0.828 15.229 -4.744
105 HD21 ASN 16 1HD2 ASN 16 1.575 18.232 -2.368
106 HD22 ASN 16 2HD2 ASN 16 1.232 16.606 -1.879
107 HA PRO 17 HA PRO 17 -3.756 16.880 -1.589
108 HB2 PRO 17 1HB PRO 17 -4.303 15.022 0.276
109 HB3 PRO 17 2HB PRO 17 -4.826 14.718 -1.240
110 HG2 PRO 17 1HG PRO 17 -2.384 13.827 -0.035
111 HG3 PRO 17 2HG PRO 17 -3.496 12.914 -0.809
112 HD2 PRO 17 1HD PRO 17 -1.375 13.778 -2.072
113 HD3 PRO 17 2HD PRO 17 -2.792 13.593 -2.863
114 H ARG 18 H ARG 18 -0.740 15.884 -0.520
115 HA ARG 18 HA ARG 18 -1.300 16.613 2.115
116 HB2 ARG 18 1HB ARG 18 0.299 14.807 1.462
117 HB3 ARG 18 2HB ARG 18 1.379 15.991 1.148
118 HG2 ARG 18 1HG ARG 18 1.008 16.640 3.547
119 HG3 ARG 18 2HG ARG 18 0.425 15.123 3.707
120 HD2 ARG 18 1HD ARG 18 2.479 14.193 3.205
121 HD3 ARG 18 2HD ARG 18 3.072 15.626 2.696
122 HE ARG 18 HE ARG 18 2.303 15.791 5.383
123 HH11 ARG 18 1HH1 ARG 18 3.830 15.972 6.963
124 HH12 ARG 18 2HH1 ARG 18 5.472 15.505 6.668
125 HH21 ARG 18 1HH2 ARG 18 4.950 14.582 3.392
126 HH22 ARG 18 2HH2 ARG 18 6.095 14.732 4.682
127 H GLU 19 H GLU 19 1.094 17.976 -0.068
128 HA GLU 19 HA GLU 19 0.865 20.385 1.419
129 HB2 GLU 19 1HB GLU 19 3.492 19.261 0.840
130 HB3 GLU 19 2HB GLU 19 3.263 20.678 1.619
131 HG2 GLU 19 1HG GLU 19 2.474 19.569 3.484
132 HG3 GLU 19 2HG GLU 19 2.564 18.137 2.705
133 H ARG 20 H ARG 20 1.477 22.339 0.388
134 HA ARG 20 HA ARG 20 1.464 22.492 -2.374
135 HB2 ARG 20 1HB ARG 20 0.969 24.364 -1.004
136 HB3 ARG 20 2HB ARG 20 2.454 24.304 -0.328
137 HG2 ARG 20 1HG ARG 20 2.359 26.151 -1.715
138 HG3 ARG 20 2HG ARG 20 3.380 25.067 -2.387
139 HD2 ARG 20 1HD ARG 20 1.895 24.526 -4.021
140 HD3 ARG 20 2HD ARG 20 0.644 25.197 -3.213
141 HE ARG 20 HE ARG 20 2.387 27.246 -3.709
142 HH11 ARG 20 1HH1 ARG 20 0.393 25.096 -5.653
143 HH12 ARG 20 2HH1 ARG 20 0.246 26.254 -6.933
144 HH21 ARG 20 1HH2 ARG 20 2.144 28.670 -5.371
145 HH22 ARG 20 2HH2 ARG 20 1.222 28.245 -6.775
146 H SER 21 H SER 21 4.009 22.074 -0.189
147 HA SER 21 HA SER 21 6.054 22.462 -2.091
148 HB2 SER 21 1HB SER 21 7.461 21.868 -0.067
149 HB3 SER 21 2HB SER 21 6.446 23.116 0.219
150 HG SER 21 HG SER 21 4.916 21.403 0.855
151 H SER 22 H SER 22 4.140 19.908 -1.661
152 HA SER 22 HA SER 22 6.252 18.026 -2.307
153 HB2 SER 22 1HB SER 22 5.082 16.305 -1.154
154 HB3 SER 22 2HB SER 22 5.281 17.554 -0.120
155 HG SER 22 HG SER 22 3.011 17.470 -1.613
156 H PHE 23 H PHE 23 5.427 16.064 -3.599
157 HA PHE 23 HA PHE 23 3.073 16.600 -5.048
158 HB2 PHE 23 1HB PHE 23 4.234 16.534 -7.243
159 HB3 PHE 23 2HB PHE 23 4.478 17.908 -6.394
160 HD1 PHE 23 HD1 PHE 23 6.616 18.708 -6.124
161 HD2 PHE 23 HD2 PHE 23 6.087 14.675 -6.959
162 HE1 PHE 23 HE1 PHE 23 9.009 18.441 -6.316
163 HE2 PHE 23 HE2 PHE 23 8.471 14.394 -7.167
164 HZ PHE 23 HZ PHE 23 9.940 16.275 -6.827
165 H TYR 24 H TYR 24 2.628 14.944 -6.823
166 HA TYR 24 HA TYR 24 3.607 12.347 -6.026
167 HB2 TYR 24 1HB TYR 24 1.422 13.126 -7.709
168 HB3 TYR 24 2HB TYR 24 2.010 11.604 -7.785
169 HD1 TYR 24 HD1 TYR 24 2.269 10.636 -5.193
170 HD2 TYR 24 HD2 TYR 24 -0.634 13.197 -6.664
171 HE1 TYR 24 HE1 TYR 24 0.766 9.926 -3.440
172 HE2 TYR 24 HE2 TYR 24 -2.154 12.481 -4.923
173 HH TYR 24 HH TYR 24 -2.580 10.817 -3.356
174 H SER 25 H SER 25 4.923 11.198 -7.611
175 HA SER 25 HA SER 25 5.361 12.571 -10.104
176 HB2 SER 25 1HB SER 25 7.257 13.093 -8.716
177 HB3 SER 25 2HB SER 25 7.531 11.499 -8.494
178 HG SER 25 HG SER 25 8.880 11.970 -10.044
179 H CYS 26 H CYS 26 5.499 11.255 -11.881
180 HA CYS 26 HA CYS 26 5.510 8.406 -11.362
181 HB2 CYS 26 1HB CYS 26 4.317 9.816 -13.517
182 HB3 CYS 26 2HB CYS 26 4.472 8.190 -13.483
183 H ALA 27 H ALA 27 7.318 7.367 -12.047
184 HA ALA 27 HA ALA 27 8.774 8.458 -14.295
185 HB1 ALA 27 1HB ALA 27 9.996 9.259 -12.423
186 HB2 ALA 27 2HB ALA 27 10.876 8.123 -13.165
187 HB3 ALA 27 3HB ALA 27 10.079 7.767 -11.804
188 H ALA 28 H ALA 28 9.243 6.857 -15.753
189 HA ALA 28 HA ALA 28 9.049 4.858 -16.669
190 HB1 ALA 28 1HB ALA 28 11.015 4.296 -15.359
191 HB2 ALA 28 2HB ALA 28 10.118 2.967 -15.570
192 HB3 ALA 28 3HB ALA 28 10.073 3.758 -14.160
193 H GLY 29 H GLY 29 6.717 5.923 -15.361
194 HA2 GLY 29 1HA GLY 29 4.611 5.216 -15.006
195 HA3 GLY 29 2HA GLY 29 5.022 3.728 -15.538
196 H ARG 30 H ARG 30 6.714 5.003 -12.860
197 HA ARG 30 HA ARG 30 5.190 3.313 -11.063
198 HB2 ARG 30 1HB ARG 30 8.041 3.767 -10.857
199 HB3 ARG 30 2HB ARG 30 7.179 2.762 -9.901
200 HG2 ARG 30 1HG ARG 30 7.650 2.314 -12.701
201 HG3 ARG 30 2HG ARG 30 8.470 1.569 -11.501
202 HD2 ARG 30 1HD ARG 30 6.521 0.430 -10.825
203 HD3 ARG 30 2HD ARG 30 5.630 1.246 -11.922
204 HE ARG 30 HE ARG 30 7.452 -0.904 -12.470
205 HH11 ARG 30 1HH1 ARG 30 7.340 -1.865 -14.450
206 HH12 ARG 30 2HH1 ARG 30 6.302 -1.235 -15.685
207 HH21 ARG 30 1HH2 ARG 30 5.130 1.392 -13.807
208 HH22 ARG 30 2HH2 ARG 30 5.079 0.568 -15.329
209 H LEU 31 H LEU 31 4.898 4.061 -8.866
210 HA LEU 31 HA LEU 31 4.874 6.855 -8.796
211 HB2 LEU 31 1HB LEU 31 3.073 5.687 -7.773
212 HB3 LEU 31 2HB LEU 31 4.108 4.894 -6.789
213 HG LEU 31 HG LEU 31 4.455 6.884 -5.543
214 HD11 LEU 31 1HD1 LEU 31 3.174 8.853 -5.950
215 HD12 LEU 31 2HD1 LEU 31 2.544 8.178 -7.277
216 HD13 LEU 31 3HD1 LEU 31 4.122 8.528 -7.219
217 HD21 LEU 31 1HD2 LEU 31 2.295 6.977 -4.502
218 HD22 LEU 31 2HD2 LEU 31 2.702 5.443 -4.808
219 HD23 LEU 31 3HD2 LEU 31 1.650 6.207 -5.769
220 H PHE 32 H PHE 32 6.255 8.280 -8.069
221 HA PHE 32 HA PHE 32 7.913 7.539 -5.813
222 HB2 PHE 32 1HB PHE 32 8.595 9.361 -7.929
223 HB3 PHE 32 2HB PHE 32 9.474 9.211 -6.561
224 HD1 PHE 32 HD1 PHE 32 8.349 7.314 -9.414
225 HD2 PHE 32 HD2 PHE 32 11.208 7.597 -6.416
226 HE1 PHE 32 HE1 PHE 32 9.590 5.534 -10.453
227 HE2 PHE 32 HE2 PHE 32 12.470 5.811 -7.446
228 HZ PHE 32 HZ PHE 32 11.662 4.781 -9.472
229 H GLN 33 H GLN 33 7.469 8.804 -3.949
230 HA GLN 33 HA GLN 33 5.908 11.229 -4.390
231 HB2 GLN 33 1HB GLN 33 5.821 9.388 -2.224
232 HB3 GLN 33 2HB GLN 33 5.316 10.927 -2.015
233 HG2 GLN 33 1HG GLN 33 3.680 10.630 -3.692
234 HG3 GLN 33 2HG GLN 33 4.199 9.100 -3.937
235 HE21 GLN 33 1HE2 GLN 33 1.977 9.959 -0.679
236 HE22 GLN 33 2HE2 GLN 33 2.877 11.192 -1.497
237 H GLN 34 H GLN 34 6.933 13.129 -3.962
238 HA GLN 34 HA GLN 34 9.240 13.066 -2.275
239 HB2 GLN 34 1HB GLN 34 9.308 13.870 -5.061
240 HB3 GLN 34 2HB GLN 34 10.506 14.280 -4.030
241 HG2 GLN 34 1HG GLN 34 11.087 12.015 -3.768
242 HG3 GLN 34 2HG GLN 34 9.851 11.569 -4.738
243 HE21 GLN 34 1HE2 GLN 34 13.358 12.284 -6.323
244 HE22 GLN 34 2HE2 GLN 34 13.056 12.040 -4.635
245 H SER 35 H SER 35 10.208 15.308 -1.981
246 HA SER 35 HA SER 35 8.131 17.305 -2.121
247 HB2 SER 35 1HB SER 35 9.091 18.286 -0.112
248 HB3 SER 35 2HB SER 35 8.529 16.778 0.167
249 HG SER 35 HG SER 35 10.466 16.769 1.059
250 H CYS 36 H CYS 36 8.928 19.542 -2.251
251 HA CYS 36 HA CYS 36 11.407 19.775 -3.764
252 HB2 CYS 36 1HB CYS 36 9.183 19.995 -4.841
253 HB3 CYS 36 2HB CYS 36 9.165 21.456 -4.111
254 HA PRO 37 HA PRO 37 10.918 22.165 -0.049
255 HB2 PRO 37 1HB PRO 37 13.141 21.651 1.405
256 HB3 PRO 37 2HB PRO 37 11.978 20.507 1.329
257 HG2 PRO 37 1HG PRO 37 14.323 20.712 -0.298
258 HG3 PRO 37 2HG PRO 37 13.793 19.401 0.519
259 HD2 PRO 37 1HD PRO 37 13.235 19.629 -2.002
260 HD3 PRO 37 2HD PRO 37 12.115 18.997 -0.994
261 H THR 38 H THR 38 13.715 22.541 -1.947
262 HA THR 38 HA THR 38 14.366 24.893 -0.577
263 HB THR 38 HB THR 38 15.844 24.865 -2.871
264 HG1 THR 38 HG1 THR 38 14.732 22.523 -2.507
265 HG21 THR 38 1HG2 THR 38 17.598 24.075 -1.446
266 HG22 THR 38 2HG2 THR 38 16.513 23.621 -0.336
267 HG23 THR 38 3HG2 THR 38 16.746 25.191 -0.643
268 H GLY 39 H GLY 39 12.525 26.185 -0.701
269 HA2 GLY 39 1HA GLY 39 11.787 28.153 -1.454
270 HA3 GLY 39 2HA GLY 39 12.988 28.180 -2.559
271 H LEU 40 H LEU 40 11.127 25.527 -3.175
272 HA LEU 40 HA LEU 40 9.695 27.005 -5.193
273 HB2 LEU 40 1HB LEU 40 10.912 24.408 -5.536
274 HB3 LEU 40 2HB LEU 40 10.085 25.192 -6.706
275 HG LEU 40 HG LEU 40 12.636 26.058 -5.705
276 HD11 LEU 40 1HD1 LEU 40 13.505 25.210 -7.813
277 HD12 LEU 40 2HD1 LEU 40 12.029 24.677 -8.203
278 HD13 LEU 40 3HD1 LEU 40 12.833 24.002 -6.973
279 HD21 LEU 40 1HD2 LEU 40 12.701 27.560 -7.537
280 HD22 LEU 40 2HD2 LEU 40 11.445 27.895 -6.575
281 HD23 LEU 40 3HD2 LEU 40 11.210 27.110 -7.969
282 H VAL 41 H VAL 41 7.800 25.864 -6.195
283 HA VAL 41 HA VAL 41 6.562 24.118 -4.302
284 HB VAL 41 HB VAL 41 4.442 25.340 -4.534
285 HG11 VAL 41 1HG1 VAL 41 5.020 27.248 -3.164
286 HG12 VAL 41 2HG1 VAL 41 6.583 27.029 -3.518
287 HG13 VAL 41 3HG1 VAL 41 5.793 25.930 -2.634
288 HG21 VAL 41 1HG2 VAL 41 4.428 27.506 -5.597
289 HG22 VAL 41 2HG2 VAL 41 4.817 26.362 -6.671
290 HG23 VAL 41 3HG2 VAL 41 5.971 27.301 -6.038
291 H PHE 42 H PHE 42 4.678 22.822 -5.165
292 HA PHE 42 HA PHE 42 5.187 22.085 -7.802
293 HB2 PHE 42 1HB PHE 42 4.342 20.435 -6.369
294 HB3 PHE 42 2HB PHE 42 2.996 21.313 -6.082
295 HD1 PHE 42 HD1 PHE 42 4.605 20.309 -9.196
296 HD2 PHE 42 HD2 PHE 42 1.128 20.166 -6.916
297 HE1 PHE 42 HE1 PHE 42 3.461 19.240 -11.017
298 HE2 PHE 42 HE2 PHE 42 -0.018 19.066 -8.735
299 HZ PHE 42 HZ PHE 42 1.152 18.597 -10.787
300 H SER 43 H SER 43 4.450 22.932 -9.693
301 HA SER 43 HA SER 43 2.150 24.658 -9.546
302 HB2 SER 43 1HB SER 43 4.049 25.760 -10.456
303 HB3 SER 43 2HB SER 43 4.188 24.608 -11.606
304 HG SER 43 HG SER 43 3.097 25.992 -12.705
305 H ASN 44 H ASN 44 0.301 23.691 -10.015
306 HA ASN 44 HA ASN 44 0.262 21.300 -11.346
307 HB2 ASN 44 1HB ASN 44 -1.572 22.842 -9.983
308 HB3 ASN 44 2HB ASN 44 -2.286 22.413 -11.387
309 HD21 ASN 44 1HD2 ASN 44 -2.525 19.957 -8.442
310 HD22 ASN 44 2HD2 ASN 44 -2.324 21.676 -8.370
311 H SER 45 H SER 45 0.195 24.392 -12.656
312 HA SER 45 HA SER 45 -1.323 23.790 -14.904
313 HB2 SER 45 1HB SER 45 -0.289 25.931 -15.763
314 HB3 SER 45 2HB SER 45 -1.093 26.082 -14.349
315 HG SER 45 HG SER 45 0.730 26.185 -13.236
316 H CYS 46 H CYS 46 2.115 23.841 -14.396
317 HA CYS 46 HA CYS 46 2.475 22.842 -17.063
318 HB2 CYS 46 1HB CYS 46 4.589 23.630 -17.049
319 HB3 CYS 46 2HB CYS 46 3.669 24.798 -16.372
320 H LYS 47 H LYS 47 2.228 21.719 -14.070
321 HA LYS 47 HA LYS 47 2.766 19.848 -13.042
322 HB2 LYS 47 1HB LYS 47 3.505 18.623 -15.552
323 HB3 LYS 47 2HB LYS 47 3.059 17.821 -14.201
324 HG2 LYS 47 1HG LYS 47 1.287 19.444 -15.785
325 HG3 LYS 47 2HG LYS 47 1.321 17.811 -15.814
326 HD2 LYS 47 1HD LYS 47 0.602 17.757 -13.550
327 HD3 LYS 47 2HD LYS 47 0.563 19.389 -13.525
328 HE2 LYS 47 1HE LYS 47 -1.089 19.312 -15.285
329 HE3 LYS 47 2HE LYS 47 -1.124 17.688 -15.119
330 HZ1 LYS 47 1HZ LYS 47 -2.893 18.672 -13.892
331 HZ2 LYS 47 2HZ LYS 47 -1.831 19.548 -13.045
332 HZ3 LYS 47 3HZ LYS 47 -1.866 17.940 -12.881
333 H CYS 48 H CYS 48 4.678 21.800 -13.067
334 HA CYS 48 HA CYS 48 7.074 20.239 -12.788
335 HB2 CYS 48 1HB CYS 48 7.543 22.956 -13.089
336 HB3 CYS 48 2HB CYS 48 8.312 21.704 -13.802
337 H CYS 49 H CYS 49 8.686 21.202 -11.153
338 HA CYS 49 HA CYS 49 7.298 22.545 -9.007
339 HB2 CYS 49 1HB CYS 49 8.631 20.719 -8.450
340 HB3 CYS 49 2HB CYS 49 9.940 21.515 -9.017
341 H THR 50 H THR 50 7.461 24.802 -8.878
342 HA THR 50 HA THR 50 9.709 26.073 -10.074
343 HB THR 50 HB THR 50 8.057 25.853 -11.907
344 HG1 THR 50 HG1 THR 50 9.517 27.362 -12.292
345 HG21 THR 50 1HG2 THR 50 6.167 27.296 -11.884
346 HG22 THR 50 2HG2 THR 50 6.547 27.803 -10.396
347 HG23 THR 50 3HG2 THR 50 6.062 26.279 -10.631
348 H TRP 51 H TRP 51 9.501 28.605 -9.888
349 HA TRP 51 HA TRP 51 9.363 29.206 -7.241
350 HB2 TRP 51 1HB TRP 51 8.940 31.152 -9.360
351 HB3 TRP 51 2HB TRP 51 9.600 31.475 -7.902
352 HD1 TRP 51 HD1 TRP 51 12.143 30.600 -7.527
353 HE1 TRP 51 HE1 TRP 51 14.067 30.152 -9.071
354 HE3 TRP 51 HE3 TRP 51 9.508 30.452 -11.775
355 HZ2 TRP 51 HZ2 TRP 51 14.319 29.754 -11.853
356 HZ3 TRP 51 HZ3 TRP 51 10.668 30.028 -13.861
357 HH2 TRP 51 HH2 TRP 51 13.058 29.686 -13.885
358 H ASN 52 H ASN 52 7.921 30.407 -5.874
359 HA ASN 52 HA ASN 52 5.257 29.784 -6.464
360 HB2 ASN 52 1HB ASN 52 6.213 29.625 -4.197
361 HB3 ASN 52 2HB ASN 52 6.188 31.257 -4.129
362 HD21 ASN 52 1HD2 ASN 52 3.072 31.323 -2.702
363 HD22 ASN 52 2HD2 ASN 52 4.664 31.995 -2.812
364 H GLY 53 H GLY 53 5.462 31.327 -8.451
365 HA2 GLY 53 1HA GLY 53 4.339 33.050 -9.363
366 HA3 GLY 53 2HA GLY 53 3.563 33.286 -7.945
367 H LEU 54 H LEU 54 6.966 33.653 -8.650
368 HA LEU 54 HA LEU 54 7.121 36.142 -7.403
369 HB2 LEU 54 1HB LEU 54 8.971 34.602 -7.813
370 HB3 LEU 54 2HB LEU 54 9.002 35.166 -9.345
371 HG LEU 54 HG LEU 54 9.295 37.081 -7.270
372 HD11 LEU 54 1HD1 LEU 54 11.660 36.605 -7.088
373 HD12 LEU 54 2HD1 LEU 54 11.474 35.325 -8.058
374 HD13 LEU 54 3HD1 LEU 54 10.800 35.330 -6.588
375 HD21 LEU 54 1HD2 LEU 54 10.742 38.175 -8.806
376 HD22 LEU 54 2HD2 LEU 54 9.306 37.889 -9.493
377 HD23 LEU 54 3HD2 LEU 54 10.573 36.950 -9.849
378 H VAL 55 H VAL 55 6.616 38.180 -8.072
379 HA VAL 55 HA VAL 55 6.219 38.573 -10.918
380 HB VAL 55 HB VAL 55 4.750 39.942 -8.811
381 HG11 VAL 55 1HG1 VAL 55 3.399 40.904 -10.558
382 HG12 VAL 55 2HG1 VAL 55 4.324 40.187 -11.674
383 HG13 VAL 55 3HG1 VAL 55 4.941 41.356 -10.742
384 HG21 VAL 55 1HG2 VAL 55 2.819 38.683 -9.560
385 HG22 VAL 55 2HG2 VAL 55 3.971 37.668 -9.054
386 HG23 VAL 55 3HG2 VAL 55 3.742 37.906 -10.636
387 HA PRO 56 HA PRO 56 9.388 41.478 -10.063
388 HB2 PRO 56 1HB PRO 56 10.012 42.363 -12.487
389 HB3 PRO 56 2HB PRO 56 10.250 40.774 -12.194
390 HG2 PRO 56 1HG PRO 56 8.004 42.000 -13.445
391 HG3 PRO 56 2HG PRO 56 8.866 40.718 -13.974
392 HD2 PRO 56 1HD PRO 56 6.613 40.383 -12.649
393 HD3 PRO 56 2HD PRO 56 7.814 39.280 -12.555
394 H ARG 57 H ARG 57 6.437 42.399 -10.551
395 HA ARG 57 HA ARG 57 7.055 45.220 -10.372
396 HB2 ARG 57 1HB ARG 57 4.756 44.084 -11.710
397 HB3 ARG 57 2HB ARG 57 4.968 45.687 -11.478
398 HG2 ARG 57 1HG ARG 57 6.739 44.140 -13.126
399 HG3 ARG 57 2HG ARG 57 5.431 44.905 -13.733
400 HD2 ARG 57 1HD ARG 57 7.143 46.367 -14.149
401 HD3 ARG 57 2HD ARG 57 6.451 46.983 -12.804
402 HE ARG 57 HE ARG 57 8.373 45.314 -11.888
403 HH11 ARG 57 1HH1 ARG 57 8.367 48.244 -13.842
404 HH12 ARG 57 2HH1 ARG 57 9.957 48.684 -13.316
405 HH21 ARG 57 1HH2 ARG 57 10.355 45.927 -11.273
406 HH22 ARG 57 2HH2 ARG 57 11.068 47.385 -11.877
Start of MODEL 20
1 H1 GLY 1 1H GLY 1 -2.564 -7.053 -5.590
2 H2 GLY 1 2H GLY 1 -2.016 -6.387 -6.957
3 H3 GLY 1 3H GLY 1 -3.147 -5.629 -6.085
4 HA2 GLY 1 1HA GLY 1 -1.593 -5.307 -4.335
5 HA3 GLY 1 2HA GLY 1 -0.451 -6.073 -5.216
6 H SER 2 H SER 2 0.810 -4.094 -4.827
7 HA SER 2 HA SER 2 1.654 -2.230 -5.634
8 HB2 SER 2 1HB SER 2 1.364 -3.226 -7.859
9 HB3 SER 2 2HB SER 2 -0.015 -2.364 -8.013
10 HG SER 2 HG SER 2 2.537 -1.568 -8.285
11 HA PRO 3 HA PRO 3 -0.984 1.001 -4.515
12 HB2 PRO 3 1HB PRO 3 0.617 2.881 -6.186
13 HB3 PRO 3 2HB PRO 3 0.253 3.124 -4.613
14 HG2 PRO 3 1HG PRO 3 2.593 2.394 -5.174
15 HG3 PRO 3 2HG PRO 3 1.857 1.673 -3.906
16 HD2 PRO 3 1HD PRO 3 2.155 0.608 -6.577
17 HD3 PRO 3 2HD PRO 3 2.428 -0.173 -5.169
18 H THR 4 H THR 4 -0.456 0.547 -7.772
19 HA THR 4 HA THR 4 -1.671 0.931 -9.542
20 HB THR 4 HB THR 4 -4.253 1.404 -8.368
21 HG1 THR 4 HG1 THR 4 -3.463 0.213 -6.717
22 HG21 THR 4 1HG2 THR 4 -4.871 -0.476 -9.721
23 HG22 THR 4 2HG2 THR 4 -3.314 -0.785 -10.030
24 HG23 THR 4 3HG2 THR 4 -4.010 0.544 -10.634
25 H PHE 5 H PHE 5 -1.155 3.311 -7.599
26 HA PHE 5 HA PHE 5 -2.756 5.371 -8.469
27 HB2 PHE 5 1HB PHE 5 -1.446 5.342 -6.356
28 HB3 PHE 5 2HB PHE 5 -0.074 5.471 -7.233
29 HD1 PHE 5 HD1 PHE 5 0.760 7.553 -7.890
30 HD2 PHE 5 HD2 PHE 5 -3.034 7.330 -6.243
31 HE1 PHE 5 HE1 PHE 5 0.780 9.940 -7.626
32 HE2 PHE 5 HE2 PHE 5 -3.041 9.761 -6.013
33 HZ PHE 5 HZ PHE 5 -1.104 11.040 -6.685
34 H CYS 6 H CYS 6 0.308 4.353 -9.707
35 HA CYS 6 HA CYS 6 0.244 6.586 -11.506
36 HB2 CYS 6 1HB CYS 6 2.279 5.218 -10.305
37 HB3 CYS 6 2HB CYS 6 2.514 5.224 -11.921
38 H GLN 7 H GLN 7 -0.796 3.525 -11.525
39 HA GLN 7 HA GLN 7 0.296 2.677 -13.951
40 HB2 GLN 7 1HB GLN 7 -1.984 1.683 -12.549
41 HB3 GLN 7 2HB GLN 7 -1.343 0.948 -13.859
42 HG2 GLN 7 1HG GLN 7 0.724 0.670 -12.605
43 HG3 GLN 7 2HG GLN 7 -0.053 1.242 -11.287
44 HE21 GLN 7 1HE2 GLN 7 -0.549 -2.086 -10.386
45 HE22 GLN 7 2HE2 GLN 7 0.242 -0.587 -10.030
46 H GLY 8 H GLY 8 -0.273 3.155 -15.979
47 HA2 GLY 8 1HA GLY 8 -1.693 3.716 -17.643
48 HA3 GLY 8 2HA GLY 8 -2.918 3.916 -16.581
49 H LYS 9 H LYS 9 -0.736 5.696 -15.170
50 HA LYS 9 HA LYS 9 -1.623 8.112 -16.350
51 HB2 LYS 9 1HB LYS 9 -0.028 7.635 -13.975
52 HB3 LYS 9 2HB LYS 9 -0.307 9.156 -14.499
53 HG2 LYS 9 1HG LYS 9 -2.696 8.636 -14.310
54 HG3 LYS 9 2HG LYS 9 -2.245 7.303 -13.481
55 HD2 LYS 9 1HD LYS 9 -1.113 8.660 -11.972
56 HD3 LYS 9 2HD LYS 9 -1.648 9.974 -12.781
57 HE2 LYS 9 1HE LYS 9 -3.839 9.560 -12.166
58 HE3 LYS 9 2HE LYS 9 -3.465 8.068 -11.619
59 HZ1 LYS 9 1HZ LYS 9 -3.661 9.577 -9.804
60 HZ2 LYS 9 2HZ LYS 9 -2.512 10.512 -10.451
61 HZ3 LYS 9 3HZ LYS 9 -2.141 9.034 -9.910
62 H ALA 10 H ALA 10 -0.372 9.761 -17.231
63 HA ALA 10 HA ALA 10 1.882 8.872 -18.636
64 HB1 ALA 10 1HB ALA 10 0.369 10.513 -19.641
65 HB2 ALA 10 2HB ALA 10 1.841 11.178 -19.554
66 HB3 ALA 10 3HB ALA 10 0.710 11.571 -18.467
67 H ASP 11 H ASP 11 4.087 9.728 -18.484
68 HA ASP 11 HA ASP 11 5.011 10.143 -15.929
69 HB2 ASP 11 1HB ASP 11 6.170 10.477 -18.531
70 HB3 ASP 11 2HB ASP 11 7.009 11.070 -17.262
71 H GLY 12 H GLY 12 5.810 12.117 -14.808
72 HA2 GLY 12 1HA GLY 12 5.905 14.626 -15.361
73 HA3 GLY 12 2HA GLY 12 4.302 14.447 -15.614
74 H LEU 13 H LEU 13 4.259 16.179 -13.802
75 HA LEU 13 HA LEU 13 4.452 14.870 -11.240
76 HB2 LEU 13 1HB LEU 13 4.734 17.664 -11.812
77 HB3 LEU 13 2HB LEU 13 4.743 17.050 -10.299
78 HG LEU 13 HG LEU 13 6.880 16.921 -12.213
79 HD11 LEU 13 1HD1 LEU 13 8.006 18.036 -10.336
80 HD12 LEU 13 2HD1 LEU 13 6.668 17.872 -9.443
81 HD13 LEU 13 3HD1 LEU 13 6.673 18.869 -10.716
82 HD21 LEU 13 1HD2 LEU 13 8.130 15.583 -10.813
83 HD22 LEU 13 2HD2 LEU 13 6.822 14.791 -11.338
84 HD23 LEU 13 3HD2 LEU 13 6.860 15.383 -9.834
85 H TYR 14 H TYR 14 2.862 14.921 -9.772
86 HA TYR 14 HA TYR 14 0.371 16.085 -10.623
87 HB2 TYR 14 1HB TYR 14 0.664 13.460 -9.417
88 HB3 TYR 14 2HB TYR 14 -0.779 14.145 -9.759
89 HD1 TYR 14 HD1 TYR 14 2.205 12.826 -11.336
90 HD2 TYR 14 HD2 TYR 14 -1.765 13.916 -11.933
91 HE1 TYR 14 HE1 TYR 14 2.325 12.020 -13.642
92 HE2 TYR 14 HE2 TYR 14 -1.653 13.097 -14.188
93 HH TYR 14 HH TYR 14 0.254 11.063 -15.323
94 HA PRO 15 HA PRO 15 0.657 17.863 -6.807
95 HB2 PRO 15 1HB PRO 15 -1.816 18.672 -6.123
96 HB3 PRO 15 2HB PRO 15 -1.077 19.388 -7.391
97 HG2 PRO 15 1HG PRO 15 -2.987 17.268 -7.447
98 HG3 PRO 15 2HG PRO 15 -2.950 18.608 -8.380
99 HD2 PRO 15 1HD PRO 15 -2.007 16.331 -9.297
100 HD3 PRO 15 2HD PRO 15 -1.327 17.744 -9.755
101 H ASN 16 H ASN 16 0.735 17.695 -4.639
102 HA ASN 16 HA ASN 16 -0.324 15.273 -3.560
103 HB2 ASN 16 1HB ASN 16 1.917 16.088 -3.066
104 HB3 ASN 16 2HB ASN 16 1.246 17.356 -2.286
105 HD21 ASN 16 1HD2 ASN 16 2.156 14.257 -0.226
106 HD22 ASN 16 2HD2 ASN 16 2.774 14.661 -1.792
107 HA PRO 17 HA PRO 17 -3.719 17.485 -2.009
108 HB2 PRO 17 1HB PRO 17 -5.009 15.647 -0.536
109 HB3 PRO 17 2HB PRO 17 -4.932 15.407 -2.149
110 HG2 PRO 17 1HG PRO 17 -3.154 14.281 -0.141
111 HG3 PRO 17 2HG PRO 17 -3.893 13.473 -1.352
112 HD2 PRO 17 1HD PRO 17 -1.458 14.251 -1.564
113 HD3 PRO 17 2HD PRO 17 -2.436 14.176 -2.870
114 H ARG 18 H ARG 18 -1.456 16.304 0.160
115 HA ARG 18 HA ARG 18 -2.757 17.598 2.405
116 HB2 ARG 18 1HB ARG 18 -2.128 15.258 2.583
117 HB3 ARG 18 2HB ARG 18 -0.571 15.751 2.602
118 HG2 ARG 18 1HG ARG 18 -1.193 17.081 4.605
119 HG3 ARG 18 2HG ARG 18 -2.546 16.167 4.652
120 HD2 ARG 18 1HD ARG 18 -1.311 14.239 4.962
121 HD3 ARG 18 2HD ARG 18 0.088 15.036 4.689
122 HE ARG 18 HE ARG 18 -1.206 16.165 6.876
123 HH11 ARG 18 1HH1 ARG 18 -0.430 15.869 8.912
124 HH12 ARG 18 2HH1 ARG 18 0.608 14.533 9.286
125 HH21 ARG 18 1HH2 ARG 18 0.652 13.260 6.093
126 HH22 ARG 18 2HH2 ARG 18 1.208 13.088 7.725
127 H GLU 19 H GLU 19 0.323 17.409 0.875
128 HA GLU 19 HA GLU 19 1.100 19.898 2.104
129 HB2 GLU 19 1HB GLU 19 2.638 17.813 0.860
130 HB3 GLU 19 2HB GLU 19 3.298 19.298 1.026
131 HG2 GLU 19 1HG GLU 19 4.098 18.084 2.819
132 HG3 GLU 19 2HG GLU 19 2.944 19.052 3.450
133 H ARG 20 H ARG 20 2.191 21.567 0.663
134 HA ARG 20 HA ARG 20 1.163 21.288 -1.980
135 HB2 ARG 20 1HB ARG 20 0.867 23.746 -2.101
136 HB3 ARG 20 2HB ARG 20 -0.047 23.075 -0.926
137 HG2 ARG 20 1HG ARG 20 2.458 24.075 -0.082
138 HG3 ARG 20 2HG ARG 20 1.359 25.200 -0.523
139 HD2 ARG 20 1HD ARG 20 -0.176 24.287 1.052
140 HD3 ARG 20 2HD ARG 20 0.964 23.214 1.518
141 HE ARG 20 HE ARG 20 1.977 25.752 1.857
142 HH11 ARG 20 1HH1 ARG 20 -0.315 23.544 3.339
143 HH12 ARG 20 2HH1 ARG 20 -0.212 24.336 4.875
144 HH21 ARG 20 1HH2 ARG 20 2.051 26.742 3.824
145 HH22 ARG 20 2HH2 ARG 20 1.118 26.135 5.151
146 H SER 21 H SER 21 4.028 21.553 -0.500
147 HA SER 21 HA SER 21 5.246 22.788 -2.823
148 HB2 SER 21 1HB SER 21 5.833 23.428 -0.454
149 HB3 SER 21 2HB SER 21 6.874 22.178 -0.595
150 HG SER 21 HG SER 21 8.050 23.201 -1.974
151 H SER 22 H SER 22 4.219 19.937 -2.069
152 HA SER 22 HA SER 22 6.501 18.456 -3.065
153 HB2 SER 22 1HB SER 22 5.954 16.612 -1.741
154 HB3 SER 22 2HB SER 22 6.018 17.906 -0.747
155 HG SER 22 HG SER 22 3.615 17.235 -1.801
156 H PHE 23 H PHE 23 5.866 16.348 -4.098
157 HA PHE 23 HA PHE 23 3.366 16.582 -5.449
158 HB2 PHE 23 1HB PHE 23 4.601 16.396 -7.617
159 HB3 PHE 23 2HB PHE 23 4.788 17.844 -6.884
160 HD1 PHE 23 HD1 PHE 23 6.882 18.662 -6.372
161 HD2 PHE 23 HD2 PHE 23 6.423 14.658 -7.320
162 HE1 PHE 23 HE1 PHE 23 9.323 18.361 -6.355
163 HE2 PHE 23 HE2 PHE 23 8.777 14.355 -7.264
164 HZ PHE 23 HZ PHE 23 10.238 16.192 -6.910
165 H TYR 24 H TYR 24 2.839 14.785 -6.810
166 HA TYR 24 HA TYR 24 4.175 12.379 -6.065
167 HB2 TYR 24 1HB TYR 24 1.931 12.749 -7.773
168 HB3 TYR 24 2HB TYR 24 2.604 11.293 -7.464
169 HD1 TYR 24 HD1 TYR 24 2.534 10.401 -5.088
170 HD2 TYR 24 HD2 TYR 24 0.304 13.665 -6.319
171 HE1 TYR 24 HE1 TYR 24 1.145 10.185 -3.126
172 HE2 TYR 24 HE2 TYR 24 -1.108 13.418 -4.371
173 HH TYR 24 HH TYR 24 -1.860 11.741 -2.845
174 H SER 25 H SER 25 5.735 11.491 -7.556
175 HA SER 25 HA SER 25 5.878 12.823 -10.149
176 HB2 SER 25 1HB SER 25 7.895 13.215 -9.037
177 HB3 SER 25 2HB SER 25 8.038 11.638 -8.638
178 HG SER 25 HG SER 25 9.380 11.891 -10.274
179 H CYS 26 H CYS 26 5.526 11.607 -11.943
180 HA CYS 26 HA CYS 26 5.459 8.720 -11.558
181 HB2 CYS 26 1HB CYS 26 3.491 10.146 -12.278
182 HB3 CYS 26 2HB CYS 26 4.186 9.940 -13.742
183 H ALA 27 H ALA 27 7.016 7.617 -12.531
184 HA ALA 27 HA ALA 27 8.223 8.668 -14.935
185 HB1 ALA 27 1HB ALA 27 9.638 9.474 -13.192
186 HB2 ALA 27 2HB ALA 27 10.439 8.378 -14.070
187 HB3 ALA 27 3HB ALA 27 9.828 7.969 -12.630
188 H ALA 28 H ALA 28 8.392 7.169 -16.467
189 HA ALA 28 HA ALA 28 8.063 5.169 -17.387
190 HB1 ALA 28 1HB ALA 28 10.310 4.825 -16.632
191 HB2 ALA 28 2HB ALA 28 9.523 3.413 -16.664
192 HB3 ALA 28 3HB ALA 28 9.756 4.176 -15.258
193 H GLY 29 H GLY 29 5.991 5.974 -15.779
194 HA2 GLY 29 1HA GLY 29 4.063 5.120 -15.053
195 HA3 GLY 29 2HA GLY 29 4.560 3.620 -15.465
196 H ARG 30 H ARG 30 6.741 4.940 -13.277
197 HA ARG 30 HA ARG 30 5.514 3.450 -11.106
198 HB2 ARG 30 1HB ARG 30 8.296 4.110 -11.398
199 HB3 ARG 30 2HB ARG 30 7.670 3.182 -10.209
200 HG2 ARG 30 1HG ARG 30 7.738 2.394 -13.001
201 HG3 ARG 30 2HG ARG 30 8.777 1.835 -11.872
202 HD2 ARG 30 1HD ARG 30 7.005 0.709 -10.741
203 HD3 ARG 30 2HD ARG 30 5.904 1.360 -11.756
204 HE ARG 30 HE ARG 30 6.382 -0.160 -13.359
205 HH11 ARG 30 1HH1 ARG 30 8.737 -0.349 -10.774
206 HH12 ARG 30 2HH1 ARG 30 9.422 -1.828 -11.362
207 HH21 ARG 30 1HH2 ARG 30 7.280 -2.071 -14.071
208 HH22 ARG 30 2HH2 ARG 30 8.601 -2.791 -13.213
209 H LEU 31 H LEU 31 5.464 4.301 -9.007
210 HA LEU 31 HA LEU 31 5.361 7.131 -9.013
211 HB2 LEU 31 1HB LEU 31 3.424 5.956 -8.202
212 HB3 LEU 31 2HB LEU 31 4.346 5.152 -7.120
213 HG LEU 31 HG LEU 31 4.696 7.232 -5.952
214 HD11 LEU 31 1HD1 LEU 31 3.320 9.116 -6.479
215 HD12 LEU 31 2HD1 LEU 31 2.732 8.330 -7.764
216 HD13 LEU 31 3HD1 LEU 31 4.289 8.763 -7.725
217 HD21 LEU 31 1HD2 LEU 31 2.497 7.293 -4.931
218 HD22 LEU 31 2HD2 LEU 31 2.950 5.759 -5.164
219 HD23 LEU 31 3HD2 LEU 31 1.895 6.452 -6.174
220 H PHE 32 H PHE 32 6.464 8.556 -8.058
221 HA PHE 32 HA PHE 32 8.242 7.755 -5.901
222 HB2 PHE 32 1HB PHE 32 8.738 9.789 -7.897
223 HB3 PHE 32 2HB PHE 32 9.713 9.517 -6.615
224 HD1 PHE 32 HD1 PHE 32 8.425 7.777 -9.529
225 HD2 PHE 32 HD2 PHE 32 11.550 8.150 -6.774
226 HE1 PHE 32 HE1 PHE 32 9.709 6.176 -10.805
227 HE2 PHE 32 HE2 PHE 32 12.893 6.584 -8.104
228 HZ PHE 32 HZ PHE 32 11.949 5.602 -10.072
229 H GLN 33 H GLN 33 8.247 9.266 -4.065
230 HA GLN 33 HA GLN 33 6.284 11.393 -4.338
231 HB2 GLN 33 1HB GLN 33 6.462 9.576 -2.131
232 HB3 GLN 33 2HB GLN 33 5.567 10.942 -2.099
233 HG2 GLN 33 1HG GLN 33 4.082 10.066 -3.756
234 HG3 GLN 33 2HG GLN 33 5.032 8.753 -3.962
235 HE21 GLN 33 1HE2 GLN 33 3.959 7.092 -1.071
236 HE22 GLN 33 2HE2 GLN 33 5.264 7.221 -2.203
237 H GLN 34 H GLN 34 7.492 13.225 -4.400
238 HA GLN 34 HA GLN 34 9.339 13.518 -2.238
239 HB2 GLN 34 1HB GLN 34 10.090 13.981 -4.983
240 HB3 GLN 34 2HB GLN 34 11.002 14.515 -3.737
241 HG2 GLN 34 1HG GLN 34 10.909 12.039 -3.083
242 HG3 GLN 34 2HG GLN 34 10.702 11.859 -4.693
243 HE21 GLN 34 1HE2 GLN 34 14.049 12.070 -5.483
244 HE22 GLN 34 2HE2 GLN 34 12.464 11.508 -5.898
245 H SER 35 H SER 35 10.391 15.843 -2.206
246 HA SER 35 HA SER 35 8.250 17.662 -2.744
247 HB2 SER 35 1HB SER 35 9.184 19.061 -0.960
248 HB3 SER 35 2HB SER 35 8.718 17.594 -0.414
249 HG SER 35 HG SER 35 10.686 17.736 0.413
250 H CYS 36 H CYS 36 8.794 19.933 -3.263
251 HA CYS 36 HA CYS 36 11.341 20.212 -4.672
252 HB2 CYS 36 1HB CYS 36 8.809 20.773 -5.433
253 HB3 CYS 36 2HB CYS 36 9.689 22.148 -5.387
254 HA PRO 37 HA PRO 37 10.776 22.713 -1.145
255 HB2 PRO 37 1HB PRO 37 13.009 22.377 0.365
256 HB3 PRO 37 2HB PRO 37 11.985 21.114 0.217
257 HG2 PRO 37 1HG PRO 37 14.374 21.618 -1.228
258 HG3 PRO 37 2HG PRO 37 13.849 20.201 -0.609
259 HD2 PRO 37 1HD PRO 37 13.502 20.862 -3.197
260 HD3 PRO 37 2HD PRO 37 12.562 19.759 -2.443
261 H THR 38 H THR 38 14.157 23.429 -1.913
262 HA THR 38 HA THR 38 13.531 26.013 -0.916
263 HB THR 38 HB THR 38 16.029 26.337 -1.562
264 HG1 THR 38 HG1 THR 38 15.568 23.663 -1.716
265 HG21 THR 38 1HG2 THR 38 16.609 25.603 0.672
266 HG22 THR 38 2HG2 THR 38 15.203 24.812 0.784
267 HG23 THR 38 3HG2 THR 38 15.220 26.428 0.736
268 H GLY 39 H GLY 39 12.716 27.640 -2.041
269 HA2 GLY 39 1HA GLY 39 12.741 29.149 -3.683
270 HA3 GLY 39 2HA GLY 39 14.020 28.409 -4.377
271 H LEU 40 H LEU 40 11.265 26.496 -3.816
272 HA LEU 40 HA LEU 40 10.554 26.713 -6.545
273 HB2 LEU 40 1HB LEU 40 11.213 24.219 -5.196
274 HB3 LEU 40 2HB LEU 40 10.582 24.240 -6.703
275 HG LEU 40 HG LEU 40 13.194 25.320 -6.154
276 HD11 LEU 40 1HD1 LEU 40 14.033 23.165 -6.928
277 HD12 LEU 40 2HD1 LEU 40 12.514 22.626 -7.062
278 HD13 LEU 40 3HD1 LEU 40 13.133 22.948 -5.603
279 HD21 LEU 40 1HD2 LEU 40 13.580 25.106 -8.481
280 HD22 LEU 40 2HD2 LEU 40 12.310 26.072 -8.218
281 HD23 LEU 40 3HD2 LEU 40 12.079 24.544 -8.694
282 H VAL 41 H VAL 41 8.557 25.815 -7.286
283 HA VAL 41 HA VAL 41 6.734 25.056 -5.210
284 HB VAL 41 HB VAL 41 4.992 26.506 -6.063
285 HG11 VAL 41 1HG1 VAL 41 5.745 28.515 -5.041
286 HG12 VAL 41 2HG1 VAL 41 7.256 27.939 -5.031
287 HG13 VAL 41 3HG1 VAL 41 6.113 27.227 -4.135
288 HG21 VAL 41 1HG2 VAL 41 5.554 28.368 -7.514
289 HG22 VAL 41 2HG2 VAL 41 5.814 26.970 -8.282
290 HG23 VAL 41 3HG2 VAL 41 7.059 27.798 -7.666
291 H PHE 42 H PHE 42 4.615 24.145 -6.213
292 HA PHE 42 HA PHE 42 5.379 22.754 -8.550
293 HB2 PHE 42 1HB PHE 42 4.606 21.217 -6.969
294 HB3 PHE 42 2HB PHE 42 3.273 22.108 -6.660
295 HD1 PHE 42 HD1 PHE 42 4.778 20.442 -9.507
296 HD2 PHE 42 HD2 PHE 42 1.254 21.349 -7.538
297 HE1 PHE 42 HE1 PHE 42 3.540 19.194 -11.195
298 HE2 PHE 42 HE2 PHE 42 0.003 20.153 -9.195
299 HZ PHE 42 HZ PHE 42 1.161 19.001 -10.984
300 H SER 43 H SER 43 4.420 23.104 -10.579
301 HA SER 43 HA SER 43 2.001 24.696 -10.619
302 HB2 SER 43 1HB SER 43 3.824 25.975 -11.537
303 HB3 SER 43 2HB SER 43 4.201 24.752 -12.550
304 HG SER 43 HG SER 43 3.015 25.819 -13.843
305 H ASN 44 H ASN 44 0.296 23.488 -11.081
306 HA ASN 44 HA ASN 44 0.497 21.110 -12.432
307 HB2 ASN 44 1HB ASN 44 -1.462 22.376 -11.104
308 HB3 ASN 44 2HB ASN 44 -2.079 22.201 -12.606
309 HD21 ASN 44 1HD2 ASN 44 -2.902 19.314 -10.331
310 HD22 ASN 44 2HD2 ASN 44 -2.953 21.032 -10.114
311 H SER 45 H SER 45 0.247 24.261 -13.669
312 HA SER 45 HA SER 45 -1.026 23.626 -16.064
313 HB2 SER 45 1HB SER 45 -0.228 25.819 -16.794
314 HB3 SER 45 2HB SER 45 -0.973 25.877 -15.342
315 HG SER 45 HG SER 45 1.690 25.443 -15.190
316 H CYS 46 H CYS 46 2.303 23.550 -15.156
317 HA CYS 46 HA CYS 46 3.008 22.792 -17.819
318 HB2 CYS 46 1HB CYS 46 5.225 22.979 -17.183
319 HB3 CYS 46 2HB CYS 46 4.406 24.351 -16.849
320 H LYS 47 H LYS 47 1.996 21.482 -15.019
321 HA LYS 47 HA LYS 47 2.061 19.440 -14.073
322 HB2 LYS 47 1HB LYS 47 1.691 18.895 -16.593
323 HB3 LYS 47 2HB LYS 47 3.074 18.062 -16.350
324 HG2 LYS 47 1HG LYS 47 1.372 16.636 -16.133
325 HG3 LYS 47 2HG LYS 47 2.000 16.881 -14.646
326 HD2 LYS 47 1HD LYS 47 0.222 18.431 -14.198
327 HD3 LYS 47 2HD LYS 47 -0.430 18.057 -15.648
328 HE2 LYS 47 1HE LYS 47 -0.777 15.836 -14.941
329 HE3 LYS 47 2HE LYS 47 -0.069 16.167 -13.507
330 HZ1 LYS 47 1HZ LYS 47 -2.378 16.149 -13.293
331 HZ2 LYS 47 2HZ LYS 47 -2.506 17.305 -14.417
332 HZ3 LYS 47 3HZ LYS 47 -1.806 17.633 -12.997
333 H CYS 48 H CYS 48 4.179 21.113 -13.730
334 HA CYS 48 HA CYS 48 6.378 19.368 -13.258
335 HB2 CYS 48 1HB CYS 48 7.866 20.397 -14.583
336 HB3 CYS 48 2HB CYS 48 6.508 20.363 -15.490
337 H CYS 49 H CYS 49 8.291 20.374 -12.144
338 HA CYS 49 HA CYS 49 7.414 22.184 -10.088
339 HB2 CYS 49 1HB CYS 49 8.776 20.314 -9.608
340 HB3 CYS 49 2HB CYS 49 9.980 20.999 -10.473
341 H THR 50 H THR 50 7.917 24.332 -9.817
342 HA THR 50 HA THR 50 9.554 25.530 -11.874
343 HB THR 50 HB THR 50 7.916 27.367 -11.956
344 HG1 THR 50 HG1 THR 50 5.769 26.592 -11.165
345 HG21 THR 50 1HG2 THR 50 6.302 26.268 -13.327
346 HG22 THR 50 2HG2 THR 50 6.796 24.828 -12.781
347 HG23 THR 50 3HG2 THR 50 7.778 25.723 -13.703
348 H TRP 51 H TRP 51 10.109 27.881 -11.282
349 HA TRP 51 HA TRP 51 11.212 27.932 -8.715
350 HB2 TRP 51 1HB TRP 51 12.207 28.930 -10.741
351 HB3 TRP 51 2HB TRP 51 11.161 30.168 -10.547
352 HD1 TRP 51 HD1 TRP 51 11.662 31.879 -8.653
353 HE1 TRP 51 HE1 TRP 51 13.623 32.531 -7.251
354 HE3 TRP 51 HE3 TRP 51 14.329 27.764 -9.520
355 HZ2 TRP 51 HZ2 TRP 51 16.054 31.270 -6.625
356 HZ3 TRP 51 HZ3 TRP 51 16.505 27.531 -8.448
357 HH2 TRP 51 HH2 TRP 51 17.372 29.298 -7.026
358 H ASN 52 H ASN 52 10.798 29.211 -6.890
359 HA ASN 52 HA ASN 52 8.123 29.710 -6.476
360 HB2 ASN 52 1HB ASN 52 9.619 29.241 -4.642
361 HB3 ASN 52 2HB ASN 52 10.416 30.640 -4.918
362 HD21 ASN 52 1HD2 ASN 52 7.065 30.573 -2.735
363 HD22 ASN 52 2HD2 ASN 52 7.528 29.231 -3.727
364 H GLY 53 H GLY 53 10.738 31.978 -6.945
365 HA2 GLY 53 1HA GLY 53 9.560 33.918 -8.268
366 HA3 GLY 53 2HA GLY 53 8.950 34.180 -6.775
367 H LEU 54 H LEU 54 9.908 35.755 -5.656
368 HA LEU 54 HA LEU 54 12.625 36.466 -6.390
369 HB2 LEU 54 1HB LEU 54 10.392 37.866 -5.540
370 HB3 LEU 54 2HB LEU 54 11.679 38.265 -4.617
371 HG LEU 54 HG LEU 54 11.354 39.812 -6.303
372 HD11 LEU 54 1HD1 LEU 54 13.570 39.886 -7.207
373 HD12 LEU 54 2HD1 LEU 54 13.811 38.366 -6.711
374 HD13 LEU 54 3HD1 LEU 54 13.594 39.545 -5.627
375 HD21 LEU 54 1HD2 LEU 54 11.677 39.262 -8.632
376 HD22 LEU 54 2HD2 LEU 54 10.395 38.482 -8.031
377 HD23 LEU 54 3HD2 LEU 54 11.794 37.699 -8.238
378 H VAL 55 H VAL 55 14.223 37.099 -4.849
379 HA VAL 55 HA VAL 55 14.141 35.571 -2.365
380 HB VAL 55 HB VAL 55 16.450 36.499 -3.830
381 HG11 VAL 55 1HG1 VAL 55 17.853 35.410 -2.212
382 HG12 VAL 55 2HG1 VAL 55 16.555 35.066 -1.311
383 HG13 VAL 55 3HG1 VAL 55 17.012 36.603 -1.517
384 HG21 VAL 55 1HG2 VAL 55 16.887 34.115 -4.171
385 HG22 VAL 55 2HG2 VAL 55 15.450 34.508 -4.800
386 HG23 VAL 55 3HG2 VAL 55 15.529 33.757 -3.370
387 HA PRO 56 HA PRO 56 13.769 39.709 -0.988
388 HB2 PRO 56 1HB PRO 56 13.256 39.421 1.653
389 HB3 PRO 56 2HB PRO 56 12.153 38.808 0.616
390 HG2 PRO 56 1HG PRO 56 14.304 37.471 1.862
391 HG3 PRO 56 2HG PRO 56 12.729 37.039 1.835
392 HD2 PRO 56 1HD PRO 56 14.396 35.974 0.132
393 HD3 PRO 56 2HD PRO 56 12.856 36.277 -0.321
394 H ARG 57 H ARG 57 16.398 37.986 0.017
395 HA ARG 57 HA ARG 57 17.711 40.394 0.936
396 HB2 ARG 57 1HB ARG 57 17.702 37.925 2.443
397 HB3 ARG 57 2HB ARG 57 18.715 39.164 2.765
398 HG2 ARG 57 1HG ARG 57 15.867 39.435 3.038
399 HG3 ARG 57 2HG ARG 57 16.812 38.953 4.279
400 HD2 ARG 57 1HD ARG 57 18.044 41.096 3.903
401 HD3 ARG 57 2HD ARG 57 16.714 41.552 3.071
402 HE ARG 57 HE ARG 57 15.846 40.603 5.518
403 HH11 ARG 57 1HH1 ARG 57 17.596 43.383 4.229
404 HH12 ARG 57 2HH1 ARG 57 17.153 44.398 5.561
405 HH21 ARG 57 1HH2 ARG 57 15.366 41.918 7.228
406 HH22 ARG 57 2HH2 ARG 57 15.893 43.567 7.255