Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
586880 | 2mv1 RC | 25238 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ASP 1 1HT ASP 1 10.819 -2.598 4.417
2 H2 ASP 1 2HT ASP 1 12.302 -2.386 3.583
3 H3 ASP 1 3HT ASP 1 11.325 -3.683 3.230
4 HA ASP 1 HA ASP 1 9.682 -2.399 2.263
5 HB2 ASP 1 2HB ASP 1 9.879 0.023 1.988
6 HB3 ASP 1 1HB ASP 1 9.874 -0.376 3.696
7 H SER 2 H SER 2 9.762 -2.037 0.100
8 HA SER 2 HA SER 2 12.194 -1.434 -1.197
9 HB2 SER 2 2HB SER 2 11.911 -3.556 -2.688
10 HB3 SER 2 1HB SER 2 12.819 -3.630 -1.175
11 HG SER 2 HG SER 2 11.351 -4.872 -0.350
12 H TRP 3 H TRP 3 11.528 0.090 -2.306
13 HA TRP 3 HA TRP 3 8.827 0.429 -3.175
14 HB2 TRP 3 2HB TRP 3 11.232 2.092 -3.929
15 HB3 TRP 3 1HB TRP 3 9.556 2.534 -4.186
16 HD1 TRP 3 HD TRP 3 11.562 4.342 -2.523
17 HE1 TRP 3 1HE TRP 3 11.048 4.933 -0.067
18 HE3 TRP 3 3HE TRP 3 8.332 0.494 -1.334
19 HZ2 TRP 3 2HZ TRP 3 9.540 3.927 2.057
20 HZ3 TRP 3 3HZ TRP 3 7.429 0.406 0.903
21 HH2 TRP 3 HH TRP 3 8.013 2.087 2.589
22 H MET 4 H MET 4 11.389 -1.160 -4.669
23 HA MET 4 HA MET 4 10.467 -0.686 -7.340
24 HB2 MET 4 2HB MET 4 12.814 -1.349 -6.989
25 HB3 MET 4 1HB MET 4 12.281 -2.894 -6.339
26 HG2 MET 4 2HG MET 4 11.311 -3.497 -8.483
27 HG3 MET 4 1HG MET 4 11.765 -1.935 -9.147
28 HE1 MET 4 3HE MET 4 14.080 -4.478 -11.016
29 HE2 MET 4 1HE MET 4 12.836 -3.243 -11.188
30 HE3 MET 4 2HE MET 4 12.437 -4.799 -10.459
31 H GLU 5 H GLU 5 9.716 -2.961 -4.831
32 HA GLU 5 HA GLU 5 7.714 -4.025 -6.612
33 HB2 GLU 5 2HB GLU 5 9.653 -5.737 -5.080
34 HB3 GLU 5 1HB GLU 5 8.127 -6.347 -5.695
35 HG2 GLU 5 2HG GLU 5 8.842 -5.808 -7.977
36 HG3 GLU 5 1HG GLU 5 10.364 -5.183 -7.345
37 H GLU 6 H GLU 6 8.372 -5.553 -3.607
38 HA GLU 6 HA GLU 6 7.079 -6.109 -1.964
39 HB2 GLU 6 2HB GLU 6 6.882 -3.172 -1.823
40 HB3 GLU 6 1HB GLU 6 5.875 -4.122 -0.751
41 HG2 GLU 6 2HG GLU 6 8.055 -5.277 -0.084
42 HG3 GLU 6 1HG GLU 6 8.857 -3.931 -0.896
43 H VAL 7 H VAL 7 5.446 -7.194 -1.759
44 HA VAL 7 HA VAL 7 2.891 -6.109 -2.586
45 HB VAL 7 HB VAL 7 3.366 -7.809 -4.282
46 HG11 VAL 7 1HG1 VAL 7 3.806 -10.151 -3.736
47 HG12 VAL 7 2HG1 VAL 7 3.885 -9.730 -2.023
48 HG13 VAL 7 3HG1 VAL 7 5.077 -9.079 -3.148
49 HG21 VAL 7 3HG2 VAL 7 1.504 -9.405 -3.900
50 HG22 VAL 7 1HG2 VAL 7 1.060 -7.735 -3.537
51 HG23 VAL 7 2HG2 VAL 7 1.416 -8.856 -2.229
52 H ILE 8 H ILE 8 1.614 -5.930 -0.951
53 HA ILE 8 HA ILE 8 2.332 -7.480 1.431
54 HB ILE 8 HB ILE 8 1.635 -5.635 2.827
55 HG12 ILE 8 2HG1 ILE 8 1.098 -4.204 0.230
56 HG13 ILE 8 1HG1 ILE 8 -0.098 -4.692 1.404
57 HG21 ILE 8 1HG2 ILE 8 3.611 -4.764 0.722
58 HG22 ILE 8 2HG2 ILE 8 3.962 -5.697 2.176
59 HG23 ILE 8 3HG2 ILE 8 3.425 -4.022 2.314
60 HD11 ILE 8 3HD1 ILE 8 2.028 -2.609 1.874
61 HD12 ILE 8 1HD1 ILE 8 0.809 -3.125 3.039
62 HD13 ILE 8 2HD1 ILE 8 0.321 -2.297 1.560
63 H LYS 9 H LYS 9 0.619 -7.657 2.926
64 HA LYS 9 HA LYS 9 -2.048 -7.799 1.731
65 HB2 LYS 9 2HB LYS 9 -0.684 -9.948 3.362
66 HB3 LYS 9 1HB LYS 9 -2.419 -9.917 3.107
67 HG2 LYS 9 2HG LYS 9 -2.104 -10.169 0.718
68 HG3 LYS 9 1HG LYS 9 -0.355 -10.071 0.917
69 HD2 LYS 9 2HD LYS 9 -1.118 -12.387 0.610
70 HD3 LYS 9 1HD LYS 9 -0.357 -12.155 2.178
71 HE2 LYS 9 2HE LYS 9 -2.361 -13.559 2.340
72 HE3 LYS 9 1HE LYS 9 -2.559 -12.065 3.243
73 HZ1 LYS 9 3HZ LYS 9 -4.502 -12.721 1.942
74 HZ2 LYS 9 1HZ LYS 9 -3.653 -12.523 0.508
75 HZ3 LYS 9 2HZ LYS 9 -3.972 -11.203 1.551
76 H LEU 10 H LEU 10 -2.254 -5.793 2.836
77 HA LEU 10 HA LEU 10 -2.648 -6.035 5.738
78 HB2 LEU 10 2HB LEU 10 -1.472 -3.783 4.152
79 HB3 LEU 10 1HB LEU 10 -2.358 -3.446 5.604
80 HG LEU 10 HG LEU 10 -0.826 -4.680 6.951
81 HD11 LEU 10 1HD1 LEU 10 0.714 -5.196 4.415
82 HD12 LEU 10 2HD1 LEU 10 -0.138 -6.423 5.353
83 HD13 LEU 10 3HD1 LEU 10 1.279 -5.613 6.031
84 HD21 LEU 10 3HD2 LEU 10 1.182 -3.288 6.676
85 HD22 LEU 10 1HD2 LEU 10 -0.312 -2.361 6.546
86 HD23 LEU 10 2HD2 LEU 10 0.589 -2.786 5.097
87 H CYS 11 H CYS 11 -4.034 -4.161 6.457
88 HA CYS 11 HA CYS 11 -6.256 -3.682 4.621
89 HB2 CYS 11 2HB CYS 11 -6.439 -5.014 7.227
90 HB3 CYS 11 1HB CYS 11 -7.875 -4.610 6.279
91 H GLY 12 H GLY 12 -7.779 -2.190 5.642
92 HA2 GLY 12 2HA GLY 12 -8.394 -0.316 6.831
93 HA3 GLY 12 1HA GLY 12 -7.945 -1.300 8.185
94 H ARG 13 H ARG 13 -6.726 -0.411 9.449
95 HA ARG 13 HA ARG 13 -5.546 2.152 8.933
96 HB2 ARG 13 2HB ARG 13 -5.016 2.242 11.262
97 HB3 ARG 13 1HB ARG 13 -6.610 1.530 11.089
98 HG2 ARG 13 2HG ARG 13 -5.530 -0.713 11.336
99 HG3 ARG 13 1HG ARG 13 -4.040 0.132 11.743
100 HD2 ARG 13 2HD ARG 13 -5.144 -0.457 13.786
101 HD3 ARG 13 1HD ARG 13 -5.278 1.282 13.560
102 HE ARG 13 HE ARG 13 -7.510 1.034 12.947
103 HH11 ARG 13 1HH1 ARG 13 -6.052 -1.989 14.112
104 HH12 ARG 13 2HH1 ARG 13 -7.527 -2.698 14.580
105 HH21 ARG 13 1HH2 ARG 13 -9.580 0.005 13.592
106 HH22 ARG 13 2HH2 ARG 13 -9.539 -1.552 14.302
107 H GLU 14 H GLU 14 -4.311 -1.137 8.982
108 HA GLU 14 HA GLU 14 -1.554 -0.339 9.284
109 HB2 GLU 14 2HB GLU 14 -2.860 -2.874 8.300
110 HB3 GLU 14 1HB GLU 14 -1.128 -2.667 8.461
111 HG2 GLU 14 2HG GLU 14 -1.430 -2.300 10.871
112 HG3 GLU 14 1HG GLU 14 -3.160 -2.572 10.677
113 H LEU 15 H LEU 15 -3.850 -0.862 6.820
114 HA LEU 15 HA LEU 15 -2.154 -0.872 4.566
115 HB2 LEU 15 2HB LEU 15 -4.715 -1.370 4.908
116 HB3 LEU 15 1HB LEU 15 -4.880 0.328 4.527
117 HG LEU 15 HG LEU 15 -3.664 -0.126 2.384
118 HD11 LEU 15 1HD1 LEU 15 -2.541 -2.159 3.032
119 HD12 LEU 15 2HD1 LEU 15 -3.654 -2.529 1.704
120 HD13 LEU 15 3HD1 LEU 15 -4.089 -2.916 3.377
121 HD21 LEU 15 3HD2 LEU 15 -6.103 0.065 2.495
122 HD22 LEU 15 1HD2 LEU 15 -6.207 -1.656 2.879
123 HD23 LEU 15 2HD2 LEU 15 -5.589 -1.137 1.307
124 H VAL 16 H VAL 16 -3.900 1.647 6.312
125 HA VAL 16 HA VAL 16 -3.024 3.840 4.690
126 HB VAL 16 HB VAL 16 -4.027 3.880 7.566
127 HG11 VAL 16 1HG1 VAL 16 -4.609 6.213 7.141
128 HG12 VAL 16 2HG1 VAL 16 -3.912 6.102 5.524
129 HG13 VAL 16 3HG1 VAL 16 -2.875 5.950 6.943
130 HG21 VAL 16 3HG2 VAL 16 -5.665 2.859 6.103
131 HG22 VAL 16 1HG2 VAL 16 -5.537 4.214 4.981
132 HG23 VAL 16 2HG2 VAL 16 -6.204 4.468 6.592
133 H ARG 17 H ARG 17 -1.850 2.393 7.685
134 HA ARG 17 HA ARG 17 0.256 4.147 8.166
135 HB2 ARG 17 2HB ARG 17 -0.022 1.218 8.722
136 HB3 ARG 17 1HB ARG 17 1.417 2.066 9.210
137 HG2 ARG 17 2HG ARG 17 -0.126 3.618 10.505
138 HG3 ARG 17 1HG ARG 17 -1.398 2.437 10.174
139 HD2 ARG 17 2HD ARG 17 -0.380 2.019 12.350
140 HD3 ARG 17 1HD ARG 17 -0.035 0.695 11.232
141 HE ARG 17 HE ARG 17 2.079 2.398 10.983
142 HH11 ARG 17 1HH1 ARG 17 0.687 0.561 13.679
143 HH12 ARG 17 2HH1 ARG 17 2.139 0.527 14.577
144 HH21 ARG 17 1HH2 ARG 17 4.069 2.266 12.189
145 HH22 ARG 17 2HH2 ARG 17 4.103 1.501 13.703
146 H ALA 18 H ALA 18 0.176 1.310 6.163
147 HA ALA 18 HA ALA 18 2.861 1.416 5.280
148 HB1 ALA 18 1HB ALA 18 1.489 -0.598 5.043
149 HB2 ALA 18 2HB ALA 18 2.143 -0.098 3.483
150 HB3 ALA 18 3HB ALA 18 0.459 0.235 3.882
151 H GLN 19 H GLN 19 -0.108 2.804 4.065
152 HA GLN 19 HA GLN 19 0.817 3.911 1.676
153 HB2 GLN 19 2HB GLN 19 -1.296 4.712 3.607
154 HB3 GLN 19 1HB GLN 19 -1.121 5.634 2.161
155 HG2 GLN 19 2HG GLN 19 -1.414 3.364 0.989
156 HG3 GLN 19 1HG GLN 19 -1.964 2.785 2.562
157 HE21 GLN 19 1HE2 GLN 19 -2.660 4.636 -0.196
158 HE22 GLN 19 2HE2 GLN 19 -4.287 5.046 0.175
159 H ILE 20 H ILE 20 0.299 5.441 4.798
160 HA ILE 20 HA ILE 20 1.446 7.948 4.389
161 HB ILE 20 HB ILE 20 1.429 6.321 6.953
162 HG12 ILE 20 2HG1 ILE 20 -0.826 6.743 6.096
163 HG13 ILE 20 1HG1 ILE 20 -0.548 7.639 7.581
164 HG21 ILE 20 1HG2 ILE 20 1.695 8.441 8.169
165 HG22 ILE 20 2HG2 ILE 20 1.928 9.273 6.630
166 HG23 ILE 20 3HG2 ILE 20 3.090 8.055 7.159
167 HD11 ILE 20 3HD1 ILE 20 -0.510 8.755 4.784
168 HD12 ILE 20 1HD1 ILE 20 -0.190 9.676 6.254
169 HD13 ILE 20 2HD1 ILE 20 -1.781 8.966 5.983
170 H ALA 21 H ALA 21 2.988 4.977 5.494
171 HA ALA 21 HA ALA 21 5.556 6.073 5.796
172 HB1 ALA 21 1HB ALA 21 4.808 3.207 5.231
173 HB2 ALA 21 2HB ALA 21 4.868 3.955 6.827
174 HB3 ALA 21 3HB ALA 21 6.345 3.785 5.878
175 H ILE 22 H ILE 22 4.080 4.278 3.094
176 HA ILE 22 HA ILE 22 6.407 4.247 1.518
177 HB ILE 22 HB ILE 22 4.128 2.853 1.283
178 HG12 ILE 22 2HG1 ILE 22 6.088 2.295 -0.037
179 HG13 ILE 22 1HG1 ILE 22 4.647 2.249 -1.041
180 HG21 ILE 22 1HG2 ILE 22 2.695 3.483 -0.547
181 HG22 ILE 22 2HG2 ILE 22 3.530 5.036 -0.651
182 HG23 ILE 22 3HG2 ILE 22 2.628 4.622 0.803
183 HD11 ILE 22 3HD1 ILE 22 5.283 4.419 -2.002
184 HD12 ILE 22 1HD1 ILE 22 6.523 3.184 -2.245
185 HD13 ILE 22 2HD1 ILE 22 6.733 4.415 -1.001
186 H CYS 23 H CYS 23 3.726 6.530 1.625
187 HA CYS 23 HA CYS 23 4.712 7.949 -0.660
188 HB2 CYS 23 2HB CYS 23 2.261 7.656 0.038
189 HB3 CYS 23 1HB CYS 23 2.571 8.931 1.209
190 H GLY 24 H GLY 24 5.168 8.093 2.732
191 HA2 GLY 24 2HA GLY 24 6.187 10.799 2.687
192 HA3 GLY 24 1HA GLY 24 6.186 9.701 4.063
193 H MET 25 H MET 25 7.434 7.525 2.675
194 HA MET 25 HA MET 25 10.197 8.433 2.889
195 HB2 MET 25 2HB MET 25 8.954 5.706 2.738
196 HB3 MET 25 1HB MET 25 10.692 5.982 2.829
197 HG2 MET 25 2HG MET 25 10.410 7.011 5.005
198 HG3 MET 25 1HG MET 25 8.662 6.803 4.886
199 HE1 MET 25 3HE MET 25 12.124 4.979 5.083
200 HE2 MET 25 1HE MET 25 11.396 4.211 3.673
201 HE3 MET 25 2HE MET 25 11.641 3.284 5.152
202 H SER 26 H SER 26 8.747 9.154 0.560
203 HA SER 26 HA SER 26 9.576 7.402 -1.591
204 HB2 SER 26 2HB SER 26 8.333 10.151 -1.717
205 HB3 SER 26 1HB SER 26 8.474 8.999 -3.043
206 HG SER 26 HG SER 26 7.280 7.821 -0.914
207 H THR 27 H THR 27 11.507 8.913 0.192
208 HA THR 27 HA THR 27 12.899 10.798 -1.422
209 HB THR 27 HB THR 27 13.941 9.276 0.967
210 HG1 THR 27 1HG THR 27 12.041 11.343 0.725
211 HG21 THR 27 3HG2 THR 27 14.464 12.092 -0.028
212 HG22 THR 27 1HG2 THR 27 15.564 10.725 -0.204
213 HG23 THR 27 2HG2 THR 27 15.188 11.352 1.401
214 H TRP 28 H TRP 28 12.764 7.575 -1.203
215 HA TRP 28 HA TRP 28 15.341 7.093 -2.526
216 HB2 TRP 28 2HB TRP 28 14.893 5.697 -0.554
217 HB3 TRP 28 1HB TRP 28 13.403 5.125 -1.287
218 HD1 TRP 28 HD TRP 28 13.567 3.040 -2.789
219 HE1 TRP 28 1HE TRP 28 15.490 1.545 -3.605
220 HE3 TRP 28 3HE TRP 28 17.541 5.889 -1.304
221 HZ2 TRP 28 2HZ TRP 28 18.290 1.550 -3.631
222 HZ3 TRP 28 3HZ TRP 28 19.812 5.069 -1.767
223 HH2 TRP 28 HH TRP 28 20.178 2.944 -2.907
224 H SER 29 H SER 29 15.408 6.544 -4.608
225 HA SER 29 HA SER 29 12.896 6.314 -6.044
226 HB2 SER 29 2HB SER 29 15.736 6.581 -7.082
227 HB3 SER 29 1HB SER 29 14.267 6.648 -8.058
228 HG SER 29 HG SER 29 15.127 8.467 -6.065
229 HN1 NH2 30 HT1 SER 29 12.263 4.272 -5.578
230 HN2 NH2 30 HT2 SER 29 13.138 2.843 -5.984
231 HA PCA 1 HA PCA 1 -14.509 4.480 -5.400
232 HB2 PCA 1 2HB PCA 1 -13.124 4.570 -2.857
233 HB3 PCA 1 1HB PCA 1 -14.213 5.784 -3.583
234 HG2 PCA 1 2HG PCA 1 -14.778 4.037 -1.403
235 HG3 PCA 1 1HG PCA 1 -15.956 5.074 -2.274
236 H LEU 2 H LEU 2 -12.145 4.984 -5.449
237 HA LEU 2 HA LEU 2 -10.661 2.587 -6.187
238 HB2 LEU 2 2HB LEU 2 -9.698 5.429 -5.960
239 HB3 LEU 2 1HB LEU 2 -8.858 4.089 -6.715
240 HG LEU 2 HG LEU 2 -11.390 5.383 -7.714
241 HD11 LEU 2 1HD1 LEU 2 -8.574 5.413 -8.767
242 HD12 LEU 2 2HD1 LEU 2 -9.436 6.769 -8.036
243 HD13 LEU 2 3HD1 LEU 2 -9.978 6.104 -9.577
244 HD21 LEU 2 3HD2 LEU 2 -9.759 3.121 -8.872
245 HD22 LEU 2 1HD2 LEU 2 -11.090 3.939 -9.690
246 HD23 LEU 2 2HD2 LEU 2 -11.397 3.007 -8.228
247 H TYR 3 H TYR 3 -10.671 4.613 -3.419
248 HA TYR 3 HA TYR 3 -8.430 3.184 -2.531
249 HB2 TYR 3 2HB TYR 3 -8.877 5.416 -1.614
250 HB3 TYR 3 1HB TYR 3 -10.343 4.801 -0.834
251 HD1 TYR 3 2HD TYR 3 -6.858 3.718 -1.263
252 HD2 TYR 3 1HD TYR 3 -10.088 4.293 1.403
253 HE1 TYR 3 2HE TYR 3 -5.539 2.793 0.431
254 HE2 TYR 3 1HE TYR 3 -8.770 3.338 3.221
255 HH TYR 3 HH TYR 3 -5.417 2.889 2.935
256 H SER 4 H SER 4 -11.884 2.814 -2.078
257 HA SER 4 HA SER 4 -11.738 0.696 -0.262
258 HB2 SER 4 2HB SER 4 -13.825 1.965 -0.744
259 HB3 SER 4 1HB SER 4 -13.895 1.205 -2.331
260 HG SER 4 HG SER 4 -14.944 -0.299 -1.376
261 H ALA 5 H ALA 5 -11.601 0.756 -3.793
262 HA ALA 5 HA ALA 5 -11.639 -2.005 -4.257
263 HB1 ALA 5 1HB ALA 5 -11.813 -0.323 -6.060
264 HB2 ALA 5 2HB ALA 5 -10.542 -1.500 -6.388
265 HB3 ALA 5 3HB ALA 5 -10.124 0.108 -5.802
266 H LEU 6 H LEU 6 -8.925 0.194 -3.679
267 HA LEU 6 HA LEU 6 -6.897 -1.748 -3.737
268 HB2 LEU 6 2HB LEU 6 -6.536 0.724 -3.840
269 HB3 LEU 6 1HB LEU 6 -6.985 0.834 -2.153
270 HG LEU 6 HG LEU 6 -5.009 -0.611 -1.608
271 HD11 LEU 6 1HD1 LEU 6 -3.245 -0.823 -3.286
272 HD12 LEU 6 2HD1 LEU 6 -4.325 -0.137 -4.500
273 HD13 LEU 6 3HD1 LEU 6 -4.709 -1.687 -3.750
274 HD21 LEU 6 3HD2 LEU 6 -3.351 1.202 -1.899
275 HD22 LEU 6 1HD2 LEU 6 -4.907 1.807 -1.333
276 HD23 LEU 6 2HD2 LEU 6 -4.449 1.998 -3.021
277 H ALA 7 H ALA 7 -8.749 -0.355 -1.053
278 HA ALA 7 HA ALA 7 -7.631 -1.666 1.096
279 HB1 ALA 7 1HB ALA 7 -10.541 -0.948 0.764
280 HB2 ALA 7 2HB ALA 7 -9.270 0.159 1.283
281 HB3 ALA 7 3HB ALA 7 -9.702 -1.222 2.291
282 H ASN 8 H ASN 8 -10.379 -2.752 -0.868
283 HA ASN 8 HA ASN 8 -10.687 -5.225 0.486
284 HB2 ASN 8 2HB ASN 8 -11.600 -4.285 -2.226
285 HB3 ASN 8 1HB ASN 8 -11.837 -5.949 -1.717
286 HD21 ASN 8 1HD2 ASN 8 -12.756 -2.634 -1.203
287 HD22 ASN 8 2HD2 ASN 8 -14.166 -2.973 -0.273
288 H LYS 9 H LYS 9 -8.927 -4.299 -2.418
289 HA LYS 9 HA LYS 9 -8.185 -6.878 -3.222
290 HB2 LYS 9 2HB LYS 9 -7.999 -4.772 -4.630
291 HB3 LYS 9 1HB LYS 9 -6.624 -4.341 -3.650
292 HG2 LYS 9 2HG LYS 9 -5.409 -6.309 -4.373
293 HG3 LYS 9 1HG LYS 9 -6.786 -6.811 -5.352
294 HD2 LYS 9 2HD LYS 9 -6.581 -4.731 -6.660
295 HD3 LYS 9 1HD LYS 9 -5.165 -4.291 -5.703
296 HE2 LYS 9 2HE LYS 9 -5.423 -6.777 -7.382
297 HE3 LYS 9 1HE LYS 9 -4.585 -5.315 -7.882
298 HZ1 LYS 9 3HZ LYS 9 -3.812 -6.948 -5.498
299 HZ2 LYS 9 1HZ LYS 9 -2.996 -5.622 -6.151
300 HZ3 LYS 9 2HZ LYS 9 -3.112 -7.055 -7.022
301 H CYS 10 H CYS 10 -6.366 -4.552 -1.260
302 HA CYS 10 HA CYS 10 -4.134 -6.269 -0.918
303 HB2 CYS 10 2HB CYS 10 -5.053 -4.096 0.959
304 HB3 CYS 10 1HB CYS 10 -3.423 -4.727 0.780
305 H CYS 11 H CYS 11 -7.169 -5.901 0.755
306 HA CYS 11 HA CYS 11 -6.293 -7.309 3.074
307 HB2 CYS 11 2HB CYS 11 -8.149 -5.496 2.819
308 HB3 CYS 11 1HB CYS 11 -9.162 -6.852 2.351
309 H HIS 12 H HIS 12 -7.736 -8.114 0.003
310 HA HIS 12 HA HIS 12 -8.431 -10.758 0.950
311 HB2 HIS 12 2HB HIS 12 -8.819 -9.413 -1.726
312 HB3 HIS 12 1HB HIS 12 -9.219 -11.100 -1.439
313 HD1 HIS 12 1HD HIS 12 -11.711 -10.049 -2.159
314 HD2 HIS 12 2HD HIS 12 -10.169 -9.051 1.557
315 HE1 HIS 12 1HE HIS 12 -13.663 -9.207 -0.794
316 H VAL 13 H VAL 13 -6.507 -9.450 -1.703
317 HA VAL 13 HA VAL 13 -5.045 -11.985 -1.667
318 HB VAL 13 HB VAL 13 -4.413 -11.462 -4.024
319 HG11 VAL 13 1HG1 VAL 13 -7.356 -11.784 -3.375
320 HG12 VAL 13 2HG1 VAL 13 -6.178 -13.091 -3.490
321 HG13 VAL 13 3HG1 VAL 13 -6.645 -12.188 -4.937
322 HG21 VAL 13 3HG2 VAL 13 -5.875 -9.938 -5.323
323 HG22 VAL 13 1HG2 VAL 13 -4.915 -9.083 -4.114
324 HG23 VAL 13 2HG2 VAL 13 -6.622 -9.407 -3.816
325 H GLY 14 H GLY 14 -4.704 -8.610 -2.182
326 HA2 GLY 14 2HA GLY 14 -2.887 -7.698 -0.668
327 HA3 GLY 14 1HA GLY 14 -1.844 -8.776 -1.524
328 H CYS 15 H CYS 15 -1.069 -6.365 -1.730
329 HA CYS 15 HA CYS 15 -1.618 -5.656 -4.469
330 HB2 CYS 15 2HB CYS 15 -1.906 -3.266 -3.830
331 HB3 CYS 15 1HB CYS 15 -3.250 -4.305 -3.371
332 H THR 16 H THR 16 -0.031 -3.996 -5.181
333 HA THR 16 HA THR 16 2.443 -4.632 -4.002
334 HB THR 16 HB THR 16 3.307 -3.168 -5.895
335 HG1 THR 16 1HG THR 16 1.469 -3.201 -7.577
336 HG21 THR 16 3HG2 THR 16 1.623 -5.589 -6.577
337 HG22 THR 16 1HG2 THR 16 3.288 -5.626 -5.994
338 HG23 THR 16 2HG2 THR 16 2.921 -4.922 -7.568
339 H LYS 17 H LYS 17 3.776 -3.217 -3.128
340 HA LYS 17 HA LYS 17 2.713 -1.055 -1.531
341 HB2 LYS 17 2HB LYS 17 4.702 -2.568 -1.156
342 HB3 LYS 17 1HB LYS 17 5.598 -1.621 -2.298
343 HG2 LYS 17 2HG LYS 17 6.199 -1.061 -0.112
344 HG3 LYS 17 1HG LYS 17 5.333 0.323 -0.797
345 HD2 LYS 17 2HD LYS 17 3.408 -0.152 0.507
346 HD3 LYS 17 1HD LYS 17 3.994 -1.771 0.909
347 HE2 LYS 17 2HE LYS 17 5.346 0.783 1.766
348 HE3 LYS 17 1HE LYS 17 4.210 -0.118 2.767
349 HZ1 LYS 17 3HZ LYS 17 6.549 -0.638 3.246
350 HZ2 LYS 17 1HZ LYS 17 6.765 -1.307 1.711
351 HZ3 LYS 17 2HZ LYS 17 5.676 -1.977 2.811
352 H ARG 18 H ARG 18 4.133 -1.328 -4.611
353 HA ARG 18 HA ARG 18 4.524 1.405 -5.263
354 HB2 ARG 18 2HB ARG 18 3.771 -0.858 -7.102
355 HB3 ARG 18 1HB ARG 18 4.497 0.672 -7.557
356 HG2 ARG 18 2HG ARG 18 6.531 0.076 -6.377
357 HG3 ARG 18 1HG ARG 18 5.792 -1.443 -5.862
358 HD2 ARG 18 2HD ARG 18 6.357 -0.585 -8.694
359 HD3 ARG 18 1HD ARG 18 7.219 -1.819 -7.780
360 HE ARG 18 HE ARG 18 4.351 -2.095 -8.400
361 HH11 ARG 18 1HH1 ARG 18 7.646 -3.429 -8.546
362 HH12 ARG 18 2HH1 ARG 18 7.144 -4.894 -9.236
363 HH21 ARG 18 1HH2 ARG 18 3.697 -4.121 -9.335
364 HH22 ARG 18 2HH2 ARG 18 4.875 -5.312 -9.649
365 H SER 19 H SER 19 1.707 -0.688 -5.176
366 HA SER 19 HA SER 19 0.103 0.968 -6.834
367 HB2 SER 19 2HB SER 19 -1.669 -0.636 -6.462
368 HB3 SER 19 1HB SER 19 -0.166 -1.580 -6.320
369 HG SER 19 HG SER 19 -0.331 -1.574 -4.165
370 H LEU 20 H LEU 20 0.395 0.436 -3.341
371 HA LEU 20 HA LEU 20 -1.455 2.552 -2.700
372 HB2 LEU 20 2HB LEU 20 0.707 1.895 -0.660
373 HB3 LEU 20 1HB LEU 20 -0.892 2.477 -0.511
374 HG LEU 20 HG LEU 20 -1.759 0.200 -1.191
375 HD11 LEU 20 1HD1 LEU 20 -0.318 -1.677 -0.740
376 HD12 LEU 20 2HD1 LEU 20 1.035 -0.583 -0.482
377 HD13 LEU 20 3HD1 LEU 20 0.302 -0.720 -2.085
378 HD21 LEU 20 3HD2 LEU 20 -1.518 -0.671 1.066
379 HD22 LEU 20 1HD2 LEU 20 -1.878 1.059 1.079
380 HD23 LEU 20 2HD2 LEU 20 -0.227 0.490 1.366
381 H ALA 21 H ALA 21 1.815 2.410 -3.417
382 HA ALA 21 HA ALA 21 2.628 4.989 -2.645
383 HB1 ALA 21 1HB ALA 21 4.197 3.267 -3.440
384 HB2 ALA 21 2HB ALA 21 4.423 4.816 -4.256
385 HB3 ALA 21 3HB ALA 21 3.587 3.498 -5.076
386 H ARG 22 H ARG 22 0.983 3.957 -5.605
387 HA ARG 22 HA ARG 22 1.135 6.650 -6.605
388 HB2 ARG 22 2HB ARG 22 -0.077 5.898 -8.564
389 HB3 ARG 22 1HB ARG 22 1.218 4.776 -8.205
390 HG2 ARG 22 2HG ARG 22 -0.460 3.278 -7.159
391 HG3 ARG 22 1HG ARG 22 -1.717 4.396 -7.688
392 HD2 ARG 22 2HD ARG 22 0.198 2.855 -9.432
393 HD3 ARG 22 1HD ARG 22 -1.535 2.590 -9.273
394 HE ARG 22 HE ARG 22 -0.435 5.099 -10.342
395 HH11 ARG 22 1HH1 ARG 22 -2.607 2.308 -10.701
396 HH12 ARG 22 2HH1 ARG 22 -3.313 2.873 -12.145
397 HH21 ARG 22 1HH2 ARG 22 -1.403 5.850 -12.343
398 HH22 ARG 22 2HH2 ARG 22 -2.592 4.916 -13.124
399 H PHE 23 H PHE 23 -0.879 5.070 -4.483
400 HA PHE 23 HA PHE 23 -3.089 6.893 -5.013
401 HB2 PHE 23 2HB PHE 23 -2.887 4.519 -3.179
402 HB3 PHE 23 1HB PHE 23 -4.195 5.681 -3.030
403 HD1 PHE 23 1HD PHE 23 -5.687 6.065 -5.027
404 HD2 PHE 23 2HD PHE 23 -2.991 2.791 -4.765
405 HE1 PHE 23 1HE PHE 23 -6.975 4.877 -6.743
406 HE2 PHE 23 2HE PHE 23 -4.271 1.591 -6.484
407 HZ PHE 23 HZ PHE 23 -6.271 2.631 -7.477
408 H CYS 24 H CYS 24 -1.102 6.021 -2.320
409 HA CYS 24 HA CYS 24 -0.359 7.135 -0.489
410 HB2 CYS 24 2HB CYS 24 -1.001 9.618 -2.092
411 HB3 CYS 24 1HB CYS 24 -0.185 9.633 -0.535
412 HN1 NH2 25 HT1 CYS 24 -2.933 9.426 -1.286
413 HN2 NH2 25 HT2 CYS 24 -3.822 9.160 0.172
Start of MODEL 2
1 H1 ASP 1 1HT ASP 1 10.112 -1.903 1.649
2 H2 ASP 1 2HT ASP 1 11.135 -2.845 2.599
3 H3 ASP 1 3HT ASP 1 10.699 -3.351 1.042
4 HA ASP 1 HA ASP 1 12.229 -0.911 1.652
5 HB2 ASP 1 2HB ASP 1 13.592 -2.817 2.257
6 HB3 ASP 1 1HB ASP 1 13.227 -3.598 0.730
7 H SER 2 H SER 2 11.512 -3.286 -0.834
8 HA SER 2 HA SER 2 12.306 -1.475 -2.909
9 HB2 SER 2 2HB SER 2 10.836 -4.068 -3.161
10 HB3 SER 2 1HB SER 2 11.790 -3.260 -4.395
11 HG SER 2 HG SER 2 13.540 -3.376 -2.779
12 H TRP 3 H TRP 3 11.028 -0.521 -4.365
13 HA TRP 3 HA TRP 3 8.376 -0.026 -3.334
14 HB2 TRP 3 2HB TRP 3 9.958 1.668 -5.253
15 HB3 TRP 3 1HB TRP 3 8.337 2.042 -4.676
16 HD1 TRP 3 HD TRP 3 11.543 3.279 -4.064
17 HE1 TRP 3 1HE TRP 3 11.936 4.071 -1.635
18 HE3 TRP 3 3HE TRP 3 7.627 0.895 -1.785
19 HZ2 TRP 3 2HZ TRP 3 10.744 3.698 0.899
20 HZ3 TRP 3 3HZ TRP 3 7.345 1.146 0.619
21 HH2 TRP 3 HH TRP 3 8.835 2.504 1.937
22 H MET 4 H MET 4 9.810 -0.697 -6.548
23 HA MET 4 HA MET 4 7.327 -0.515 -7.900
24 HB2 MET 4 2HB MET 4 9.725 -2.133 -8.756
25 HB3 MET 4 1HB MET 4 8.364 -1.719 -9.762
26 HG2 MET 4 2HG MET 4 10.160 -0.335 -10.386
27 HG3 MET 4 1HG MET 4 9.026 0.680 -9.503
28 HE1 MET 4 3HE MET 4 12.162 1.108 -10.293
29 HE2 MET 4 1HE MET 4 12.756 1.953 -8.864
30 HE3 MET 4 2HE MET 4 11.198 2.393 -9.570
31 H GLU 5 H GLU 5 9.109 -3.325 -6.691
32 HA GLU 5 HA GLU 5 6.588 -4.740 -6.892
33 HB2 GLU 5 2HB GLU 5 8.006 -5.412 -8.791
34 HB3 GLU 5 1HB GLU 5 9.235 -5.964 -7.660
35 HG2 GLU 5 2HG GLU 5 7.672 -7.594 -6.751
36 HG3 GLU 5 1HG GLU 5 6.432 -7.035 -7.863
37 H GLU 6 H GLU 6 6.274 -4.370 -4.796
38 HA GLU 6 HA GLU 6 7.455 -6.412 -3.136
39 HB2 GLU 6 2HB GLU 6 8.353 -3.900 -2.596
40 HB3 GLU 6 1HB GLU 6 6.713 -3.791 -2.010
41 HG2 GLU 6 2HG GLU 6 6.938 -5.277 -0.320
42 HG3 GLU 6 1HG GLU 6 8.362 -6.032 -1.016
43 H VAL 7 H VAL 7 5.877 -6.999 -1.584
44 HA VAL 7 HA VAL 7 3.183 -6.114 -2.254
45 HB VAL 7 HB VAL 7 3.644 -7.954 -3.816
46 HG11 VAL 7 1HG1 VAL 7 3.924 -10.262 -3.051
47 HG12 VAL 7 2HG1 VAL 7 4.046 -9.684 -1.391
48 HG13 VAL 7 3HG1 VAL 7 5.268 -9.223 -2.576
49 HG21 VAL 7 3HG2 VAL 7 1.618 -8.702 -1.705
50 HG22 VAL 7 1HG2 VAL 7 1.681 -9.364 -3.339
51 HG23 VAL 7 2HG2 VAL 7 1.344 -7.651 -3.091
52 H ILE 8 H ILE 8 1.748 -6.221 -0.676
53 HA ILE 8 HA ILE 8 2.384 -7.655 1.775
54 HB ILE 8 HB ILE 8 1.585 -5.721 3.126
55 HG12 ILE 8 2HG1 ILE 8 1.752 -4.280 0.490
56 HG13 ILE 8 1HG1 ILE 8 0.309 -4.557 1.439
57 HG21 ILE 8 1HG2 ILE 8 4.048 -5.165 1.484
58 HG22 ILE 8 2HG2 ILE 8 3.963 -6.110 2.973
59 HG23 ILE 8 3HG2 ILE 8 3.636 -4.378 3.007
60 HD11 ILE 8 3HD1 ILE 8 1.127 -3.078 3.189
61 HD12 ILE 8 1HD1 ILE 8 1.083 -2.247 1.638
62 HD13 ILE 8 2HD1 ILE 8 2.619 -2.817 2.288
63 H LYS 9 H LYS 9 0.413 -7.456 3.219
64 HA LYS 9 HA LYS 9 -2.071 -7.481 1.694
65 HB2 LYS 9 2HB LYS 9 -1.157 -9.712 3.529
66 HB3 LYS 9 1HB LYS 9 -2.804 -9.534 2.959
67 HG2 LYS 9 2HG LYS 9 -2.082 -9.892 0.681
68 HG3 LYS 9 1HG LYS 9 -0.398 -9.962 1.213
69 HD2 LYS 9 2HD LYS 9 -0.889 -11.942 2.552
70 HD3 LYS 9 1HD LYS 9 -2.591 -11.847 2.106
71 HE2 LYS 9 2HE LYS 9 -1.452 -13.561 0.802
72 HE3 LYS 9 1HE LYS 9 -1.991 -12.245 -0.236
73 HZ1 LYS 9 3HZ LYS 9 0.279 -11.379 -0.235
74 HZ2 LYS 9 1HZ LYS 9 0.241 -12.954 -0.796
75 HZ3 LYS 9 2HZ LYS 9 0.780 -12.629 0.759
76 H LEU 10 H LEU 10 -2.534 -5.557 2.755
77 HA LEU 10 HA LEU 10 -3.154 -5.823 5.613
78 HB2 LEU 10 2HB LEU 10 -1.737 -3.583 4.315
79 HB3 LEU 10 1HB LEU 10 -2.828 -3.238 5.627
80 HG LEU 10 HG LEU 10 -0.985 -3.332 6.694
81 HD11 LEU 10 1HD1 LEU 10 -0.663 -5.362 7.994
82 HD12 LEU 10 2HD1 LEU 10 -1.666 -6.237 6.855
83 HD13 LEU 10 3HD1 LEU 10 -2.355 -4.905 7.797
84 HD21 LEU 10 3HD2 LEU 10 0.608 -3.768 4.988
85 HD22 LEU 10 1HD2 LEU 10 0.113 -5.461 4.876
86 HD23 LEU 10 2HD2 LEU 10 0.962 -4.885 6.306
87 H CYS 11 H CYS 11 -4.374 -3.817 6.325
88 HA CYS 11 HA CYS 11 -6.612 -3.298 4.505
89 HB2 CYS 11 2HB CYS 11 -6.887 -4.603 7.085
90 HB3 CYS 11 1HB CYS 11 -8.266 -4.342 6.001
91 H GLY 12 H GLY 12 -8.127 -1.779 5.643
92 HA2 GLY 12 2HA GLY 12 -8.648 0.014 6.962
93 HA3 GLY 12 1HA GLY 12 -8.030 -0.978 8.263
94 H ARG 13 H ARG 13 -6.980 0.425 9.462
95 HA ARG 13 HA ARG 13 -5.384 2.430 8.232
96 HB2 ARG 13 2HB ARG 13 -5.047 3.433 10.361
97 HB3 ARG 13 1HB ARG 13 -6.708 2.898 10.299
98 HG2 ARG 13 2HG ARG 13 -4.438 1.661 11.845
99 HG3 ARG 13 1HG ARG 13 -5.812 2.545 12.489
100 HD2 ARG 13 2HD ARG 13 -5.826 -0.157 11.157
101 HD3 ARG 13 1HD ARG 13 -6.105 0.184 12.858
102 HE ARG 13 HE ARG 13 -8.055 1.576 11.573
103 HH11 ARG 13 1HH1 ARG 13 -6.987 -1.822 11.441
104 HH12 ARG 13 2HH1 ARG 13 -8.570 -2.442 11.241
105 HH21 ARG 13 1HH2 ARG 13 -10.181 0.717 11.188
106 HH22 ARG 13 2HH2 ARG 13 -10.427 -0.983 11.120
107 H GLU 14 H GLU 14 -4.742 -0.801 8.926
108 HA GLU 14 HA GLU 14 -1.973 -0.486 9.603
109 HB2 GLU 14 2HB GLU 14 -3.692 -2.790 8.667
110 HB3 GLU 14 1HB GLU 14 -1.954 -2.946 8.809
111 HG2 GLU 14 2HG GLU 14 -3.189 -3.874 10.727
112 HG3 GLU 14 1HG GLU 14 -2.056 -2.609 11.177
113 H LEU 15 H LEU 15 -4.019 -0.677 6.903
114 HA LEU 15 HA LEU 15 -2.138 -1.078 4.805
115 HB2 LEU 15 2HB LEU 15 -4.673 -1.366 4.892
116 HB3 LEU 15 1HB LEU 15 -4.757 0.370 4.749
117 HG LEU 15 HG LEU 15 -3.452 0.076 2.578
118 HD11 LEU 15 1HD1 LEU 15 -3.805 -2.174 1.571
119 HD12 LEU 15 2HD1 LEU 15 -4.352 -2.712 3.182
120 HD13 LEU 15 3HD1 LEU 15 -2.700 -2.169 2.952
121 HD21 LEU 15 3HD2 LEU 15 -5.817 0.661 2.736
122 HD22 LEU 15 1HD2 LEU 15 -6.212 -1.052 2.870
123 HD23 LEU 15 2HD2 LEU 15 -5.496 -0.421 1.376
124 H VAL 16 H VAL 16 -3.789 1.636 6.344
125 HA VAL 16 HA VAL 16 -2.734 3.726 4.776
126 HB VAL 16 HB VAL 16 -3.821 3.798 7.611
127 HG11 VAL 16 1HG1 VAL 16 -3.343 6.052 5.676
128 HG12 VAL 16 2HG1 VAL 16 -2.491 5.782 7.196
129 HG13 VAL 16 3HG1 VAL 16 -4.207 6.194 7.204
130 HG21 VAL 16 3HG2 VAL 16 -5.146 4.393 4.972
131 HG22 VAL 16 1HG2 VAL 16 -5.887 4.570 6.562
132 HG23 VAL 16 2HG2 VAL 16 -5.428 2.970 5.974
133 H ARG 17 H ARG 17 -1.726 2.330 7.819
134 HA ARG 17 HA ARG 17 0.416 3.867 8.626
135 HB2 ARG 17 2HB ARG 17 -0.663 1.702 9.565
136 HB3 ARG 17 1HB ARG 17 0.430 0.888 8.519
137 HG2 ARG 17 2HG ARG 17 2.366 1.684 9.608
138 HG3 ARG 17 1HG ARG 17 1.427 2.794 10.608
139 HD2 ARG 17 2HD ARG 17 2.067 0.801 11.881
140 HD3 ARG 17 1HD ARG 17 0.322 0.910 11.692
141 HE ARG 17 HE ARG 17 1.690 -0.710 9.728
142 HH11 ARG 17 1HH1 ARG 17 -0.053 -0.690 12.786
143 HH12 ARG 17 2HH1 ARG 17 -0.386 -2.346 12.819
144 HH21 ARG 17 1HH2 ARG 17 1.226 -3.013 9.714
145 HH22 ARG 17 2HH2 ARG 17 0.348 -3.712 10.990
146 H ALA 18 H ALA 18 0.395 1.097 6.605
147 HA ALA 18 HA ALA 18 3.049 1.169 5.637
148 HB1 ALA 18 1HB ALA 18 0.633 0.050 4.210
149 HB2 ALA 18 2HB ALA 18 1.618 -0.818 5.386
150 HB3 ALA 18 3HB ALA 18 2.315 -0.325 3.844
151 H GLN 19 H GLN 19 0.082 2.375 4.110
152 HA GLN 19 HA GLN 19 0.988 3.448 1.761
153 HB2 GLN 19 2HB GLN 19 -1.069 4.419 3.678
154 HB3 GLN 19 1HB GLN 19 -0.835 5.215 2.145
155 HG2 GLN 19 2HG GLN 19 -1.261 3.066 1.045
156 HG3 GLN 19 1HG GLN 19 -1.577 2.327 2.619
157 HE21 GLN 19 1HE2 GLN 19 -3.239 2.447 0.355
158 HE22 GLN 19 2HE2 GLN 19 -4.676 3.271 0.805
159 H ILE 20 H ILE 20 0.631 5.218 4.766
160 HA ILE 20 HA ILE 20 1.772 7.653 4.035
161 HB ILE 20 HB ILE 20 1.846 6.346 6.772
162 HG12 ILE 20 2HG1 ILE 20 -0.432 6.629 5.973
163 HG13 ILE 20 1HG1 ILE 20 -0.115 7.779 7.264
164 HG21 ILE 20 1HG2 ILE 20 3.507 8.126 6.665
165 HG22 ILE 20 2HG2 ILE 20 2.166 8.584 7.710
166 HG23 ILE 20 3HG2 ILE 20 2.280 9.253 6.083
167 HD11 ILE 20 3HD1 ILE 20 -1.403 8.806 5.501
168 HD12 ILE 20 1HD1 ILE 20 -0.174 8.380 4.311
169 HD13 ILE 20 2HD1 ILE 20 0.197 9.542 5.583
170 H ALA 21 H ALA 21 3.367 4.768 5.276
171 HA ALA 21 HA ALA 21 5.965 5.885 5.436
172 HB1 ALA 21 1HB ALA 21 5.177 3.006 4.992
173 HB2 ALA 21 2HB ALA 21 5.370 3.784 6.561
174 HB3 ALA 21 3HB ALA 21 6.765 3.576 5.499
175 H ILE 22 H ILE 22 4.233 4.227 2.894
176 HA ILE 22 HA ILE 22 6.450 4.048 1.100
177 HB ILE 22 HB ILE 22 3.519 3.932 0.363
178 HG12 ILE 22 2HG1 ILE 22 5.313 1.608 1.054
179 HG13 ILE 22 1HG1 ILE 22 4.206 2.345 2.208
180 HG21 ILE 22 1HG2 ILE 22 6.003 2.795 -0.928
181 HG22 ILE 22 2HG2 ILE 22 5.067 4.165 -1.518
182 HG23 ILE 22 3HG2 ILE 22 4.353 2.545 -1.494
183 HD11 ILE 22 3HD1 ILE 22 3.252 0.354 1.197
184 HD12 ILE 22 1HD1 ILE 22 3.429 1.086 -0.401
185 HD13 ILE 22 2HD1 ILE 22 2.334 1.803 0.784
186 H CYS 23 H CYS 23 3.616 6.214 1.257
187 HA CYS 23 HA CYS 23 4.364 7.602 -1.133
188 HB2 CYS 23 2HB CYS 23 2.270 7.973 0.938
189 HB3 CYS 23 1HB CYS 23 2.607 9.267 -0.200
190 H GLY 24 H GLY 24 4.989 8.048 2.182
191 HA2 GLY 24 2HA GLY 24 5.873 10.719 2.097
192 HA3 GLY 24 1HA GLY 24 6.378 9.518 3.280
193 H MET 25 H MET 25 7.328 7.769 1.013
194 HA MET 25 HA MET 25 9.658 9.269 0.162
195 HB2 MET 25 2HB MET 25 11.192 7.453 0.963
196 HB3 MET 25 1HB MET 25 10.452 8.414 2.235
197 HG2 MET 25 2HG MET 25 8.800 6.601 2.555
198 HG3 MET 25 1HG MET 25 9.682 5.645 1.366
199 HE1 MET 25 3HE MET 25 10.440 3.986 4.875
200 HE2 MET 25 1HE MET 25 9.795 3.711 3.256
201 HE3 MET 25 2HE MET 25 8.953 4.788 4.367
202 H SER 26 H SER 26 7.725 8.570 -1.554
203 HA SER 26 HA SER 26 8.440 6.091 -2.856
204 HB2 SER 26 2HB SER 26 6.587 8.300 -3.830
205 HB3 SER 26 1HB SER 26 6.752 6.702 -4.544
206 HG SER 26 HG SER 26 6.203 6.533 -1.893
207 H THR 27 H THR 27 10.652 6.905 -2.888
208 HA THR 27 HA THR 27 11.481 8.986 -4.637
209 HB THR 27 HB THR 27 13.145 6.693 -3.642
210 HG1 THR 27 1HG THR 27 12.310 9.105 -2.392
211 HG21 THR 27 3HG2 THR 27 13.840 9.566 -4.304
212 HG22 THR 27 1HG2 THR 27 14.282 8.141 -5.241
213 HG23 THR 27 2HG2 THR 27 14.963 8.385 -3.631
214 H TRP 28 H TRP 28 10.651 5.891 -5.150
215 HA TRP 28 HA TRP 28 11.896 5.884 -7.812
216 HB2 TRP 28 2HB TRP 28 11.397 3.496 -6.046
217 HB3 TRP 28 1HB TRP 28 11.904 3.397 -7.724
218 HD1 TRP 28 HD TRP 28 13.292 4.058 -4.248
219 HE1 TRP 28 1HE TRP 28 15.797 4.374 -4.375
220 HE3 TRP 28 3HE TRP 28 13.785 4.320 -9.337
221 HZ2 TRP 28 2HZ TRP 28 17.786 4.704 -6.389
222 HZ3 TRP 28 3HZ TRP 28 16.034 4.642 -10.278
223 HH2 TRP 28 HH TRP 28 17.992 4.830 -8.834
224 H SER 29 H SER 29 10.749 5.434 -9.583
225 HA SER 29 HA SER 29 7.914 5.551 -9.380
226 HB2 SER 29 2HB SER 29 8.194 5.461 -11.940
227 HB3 SER 29 1HB SER 29 8.842 6.864 -11.086
228 HG SER 29 HG SER 29 10.549 6.347 -12.135
229 HN1 NH2 30 HT1 SER 29 9.596 3.457 -11.620
230 HN2 NH2 30 HT2 SER 29 8.735 2.006 -11.213
231 HA PCA 1 HA PCA 1 -13.877 5.136 -5.664
232 HB2 PCA 1 2HB PCA 1 -12.316 5.195 -3.284
233 HB3 PCA 1 1HB PCA 1 -13.363 6.503 -3.905
234 HG2 PCA 1 2HG PCA 1 -13.794 4.776 -1.618
235 HG3 PCA 1 1HG PCA 1 -14.846 6.103 -2.220
236 H LEU 2 H LEU 2 -11.698 4.713 -6.261
237 HA LEU 2 HA LEU 2 -11.140 1.903 -6.112
238 HB2 LEU 2 2HB LEU 2 -9.607 4.073 -7.550
239 HB3 LEU 2 1HB LEU 2 -9.253 2.362 -7.666
240 HG LEU 2 HG LEU 2 -11.780 3.710 -8.622
241 HD11 LEU 2 1HD1 LEU 2 -9.879 4.232 -10.019
242 HD12 LEU 2 2HD1 LEU 2 -10.975 3.131 -10.853
243 HD13 LEU 2 3HD1 LEU 2 -9.479 2.519 -10.149
244 HD21 LEU 2 3HD2 LEU 2 -12.263 1.449 -7.864
245 HD22 LEU 2 1HD2 LEU 2 -10.912 0.822 -8.812
246 HD23 LEU 2 2HD2 LEU 2 -12.310 1.521 -9.623
247 H TYR 3 H TYR 3 -10.064 4.673 -4.574
248 HA TYR 3 HA TYR 3 -7.769 3.715 -3.355
249 HB2 TYR 3 2HB TYR 3 -8.042 5.920 -2.798
250 HB3 TYR 3 1HB TYR 3 -9.786 5.816 -2.910
251 HD1 TYR 3 2HD TYR 3 -11.115 5.302 -1.023
252 HD2 TYR 3 1HD TYR 3 -6.901 5.590 -0.666
253 HE1 TYR 3 2HE TYR 3 -11.374 5.417 1.333
254 HE2 TYR 3 1HE TYR 3 -7.116 5.720 1.774
255 HH TYR 3 HH TYR 3 -9.971 4.905 3.363
256 H SER 4 H SER 4 -11.176 3.119 -2.655
257 HA SER 4 HA SER 4 -10.613 1.539 -0.315
258 HB2 SER 4 2HB SER 4 -12.692 2.892 -0.499
259 HB3 SER 4 1HB SER 4 -13.207 1.890 -1.850
260 HG SER 4 HG SER 4 -12.550 0.710 0.621
261 H ALA 5 H ALA 5 -11.103 1.058 -3.729
262 HA ALA 5 HA ALA 5 -11.590 -1.707 -3.750
263 HB1 ALA 5 1HB ALA 5 -11.867 -0.320 -5.760
264 HB2 ALA 5 2HB ALA 5 -10.734 -1.639 -6.073
265 HB3 ALA 5 3HB ALA 5 -10.132 -0.011 -5.786
266 H LEU 6 H LEU 6 -8.614 0.190 -3.882
267 HA LEU 6 HA LEU 6 -6.684 -1.805 -3.907
268 HB2 LEU 6 2HB LEU 6 -6.110 0.544 -4.085
269 HB3 LEU 6 1HB LEU 6 -6.708 0.850 -2.468
270 HG LEU 6 HG LEU 6 -4.903 -0.715 -1.639
271 HD11 LEU 6 1HD1 LEU 6 -2.950 -1.023 -3.059
272 HD12 LEU 6 2HD1 LEU 6 -3.843 -0.342 -4.420
273 HD13 LEU 6 3HD1 LEU 6 -4.378 -1.852 -3.679
274 HD21 LEU 6 3HD2 LEU 6 -4.790 1.712 -1.416
275 HD22 LEU 6 1HD2 LEU 6 -4.018 1.822 -2.998
276 HD23 LEU 6 2HD2 LEU 6 -3.203 0.994 -1.657
277 H ALA 7 H ALA 7 -8.336 -0.344 -1.137
278 HA ALA 7 HA ALA 7 -7.052 -1.716 0.917
279 HB1 ALA 7 1HB ALA 7 -8.525 0.202 1.282
280 HB2 ALA 7 2HB ALA 7 -8.986 -1.167 2.296
281 HB3 ALA 7 3HB ALA 7 -9.922 -0.784 0.848
282 H ASN 8 H ASN 8 -10.039 -2.505 -0.752
283 HA ASN 8 HA ASN 8 -10.527 -4.948 0.549
284 HB2 ASN 8 2HB ASN 8 -11.382 -3.990 -2.188
285 HB3 ASN 8 1HB ASN 8 -11.956 -5.482 -1.455
286 HD21 ASN 8 1HD2 ASN 8 -13.384 -3.062 -2.256
287 HD22 ASN 8 2HD2 ASN 8 -14.207 -2.509 -0.841
288 H LYS 9 H LYS 9 -8.947 -4.269 -2.524
289 HA LYS 9 HA LYS 9 -8.348 -6.913 -3.241
290 HB2 LYS 9 2HB LYS 9 -6.950 -4.334 -3.894
291 HB3 LYS 9 1HB LYS 9 -6.512 -5.854 -4.635
292 HG2 LYS 9 2HG LYS 9 -8.727 -6.006 -5.647
293 HG3 LYS 9 1HG LYS 9 -9.214 -4.522 -4.823
294 HD2 LYS 9 2HD LYS 9 -8.627 -4.016 -7.121
295 HD3 LYS 9 1HD LYS 9 -7.434 -3.302 -6.038
296 HE2 LYS 9 2HE LYS 9 -5.948 -5.246 -6.470
297 HE3 LYS 9 1HE LYS 9 -7.135 -5.857 -7.614
298 HZ1 LYS 9 3HZ LYS 9 -6.834 -3.837 -8.922
299 HZ2 LYS 9 1HZ LYS 9 -5.396 -4.684 -8.750
300 HZ3 LYS 9 2HZ LYS 9 -5.655 -3.287 -7.854
301 H CYS 10 H CYS 10 -6.468 -4.621 -1.353
302 HA CYS 10 HA CYS 10 -4.242 -6.404 -1.139
303 HB2 CYS 10 2HB CYS 10 -4.224 -3.844 -0.965
304 HB3 CYS 10 1HB CYS 10 -4.848 -4.073 0.658
305 H CYS 11 H CYS 11 -7.149 -5.827 0.665
306 HA CYS 11 HA CYS 11 -6.299 -7.182 3.019
307 HB2 CYS 11 2HB CYS 11 -8.170 -5.395 2.716
308 HB3 CYS 11 1HB CYS 11 -9.160 -6.743 2.188
309 H HIS 12 H HIS 12 -7.691 -8.066 -0.031
310 HA HIS 12 HA HIS 12 -8.290 -10.751 0.907
311 HB2 HIS 12 2HB HIS 12 -8.839 -9.337 -1.682
312 HB3 HIS 12 1HB HIS 12 -9.003 -11.078 -1.525
313 HD1 HIS 12 1HD HIS 12 -11.283 -11.855 -0.796
314 HD2 HIS 12 2HD HIS 12 -10.541 -7.903 0.200
315 HE1 HIS 12 1HE HIS 12 -13.441 -10.963 0.100
316 H VAL 13 H VAL 13 -6.627 -9.484 -1.954
317 HA VAL 13 HA VAL 13 -5.043 -11.908 -1.918
318 HB VAL 13 HB VAL 13 -4.334 -11.267 -4.208
319 HG11 VAL 13 1HG1 VAL 13 -7.308 -11.586 -3.710
320 HG12 VAL 13 2HG1 VAL 13 -6.136 -12.899 -3.839
321 HG13 VAL 13 3HG1 VAL 13 -6.529 -11.920 -5.256
322 HG21 VAL 13 3HG2 VAL 13 -6.521 -9.190 -3.989
323 HG22 VAL 13 1HG2 VAL 13 -5.708 -9.650 -5.485
324 HG23 VAL 13 2HG2 VAL 13 -4.796 -8.879 -4.188
325 H GLY 14 H GLY 14 -4.611 -8.486 -2.253
326 HA2 GLY 14 2HA GLY 14 -2.850 -7.747 -0.548
327 HA3 GLY 14 1HA GLY 14 -1.776 -8.770 -1.451
328 H CYS 15 H CYS 15 -0.941 -6.349 -1.365
329 HA CYS 15 HA CYS 15 -1.600 -5.225 -3.971
330 HB2 CYS 15 2HB CYS 15 -1.541 -2.974 -2.978
331 HB3 CYS 15 1HB CYS 15 -2.929 -3.934 -2.516
332 H THR 16 H THR 16 0.025 -3.929 -4.848
333 HA THR 16 HA THR 16 2.612 -4.593 -3.784
334 HB THR 16 HB THR 16 3.543 -3.592 -5.877
335 HG1 THR 16 1HG THR 16 0.905 -3.556 -6.886
336 HG21 THR 16 3HG2 THR 16 3.130 -5.986 -5.769
337 HG22 THR 16 1HG2 THR 16 2.800 -5.381 -7.392
338 HG23 THR 16 2HG2 THR 16 1.466 -5.740 -6.296
339 H LYS 17 H LYS 17 4.072 -3.141 -3.343
340 HA LYS 17 HA LYS 17 3.305 -0.967 -1.684
341 HB2 LYS 17 2HB LYS 17 5.476 -2.437 -2.169
342 HB3 LYS 17 1HB LYS 17 6.136 -0.970 -2.776
343 HG2 LYS 17 2HG LYS 17 6.752 -1.048 -0.533
344 HG3 LYS 17 1HG LYS 17 5.320 -0.011 -0.479
345 HD2 LYS 17 2HD LYS 17 3.942 -1.975 0.094
346 HD3 LYS 17 1HD LYS 17 5.385 -2.983 0.056
347 HE2 LYS 17 2HE LYS 17 4.815 -0.713 1.958
348 HE3 LYS 17 1HE LYS 17 4.834 -2.433 2.336
349 HZ1 LYS 17 3HZ LYS 17 7.262 -2.351 1.598
350 HZ2 LYS 17 1HZ LYS 17 6.868 -1.559 3.047
351 HZ3 LYS 17 2HZ LYS 17 7.081 -0.661 1.685
352 H ARG 18 H ARG 18 4.497 -0.670 -5.036
353 HA ARG 18 HA ARG 18 4.025 2.112 -4.881
354 HB2 ARG 18 2HB ARG 18 4.620 0.342 -7.199
355 HB3 ARG 18 1HB ARG 18 4.118 2.007 -7.476
356 HG2 ARG 18 2HG ARG 18 6.446 1.188 -5.768
357 HG3 ARG 18 1HG ARG 18 6.578 1.713 -7.448
358 HD2 ARG 18 2HD ARG 18 5.274 3.472 -5.351
359 HD3 ARG 18 1HD ARG 18 7.010 3.449 -5.582
360 HE ARG 18 HE ARG 18 6.790 4.432 -7.608
361 HH11 ARG 18 1HH1 ARG 18 3.415 3.801 -6.522
362 HH12 ARG 18 2HH1 ARG 18 2.807 5.159 -7.328
363 HH21 ARG 18 1HH2 ARG 18 5.786 6.337 -8.695
364 HH22 ARG 18 2HH2 ARG 18 4.112 6.577 -8.542
365 H SER 19 H SER 19 1.951 -0.433 -5.355
366 HA SER 19 HA SER 19 -0.071 0.983 -6.776
367 HB2 SER 19 2HB SER 19 0.042 -1.521 -6.713
368 HB3 SER 19 1HB SER 19 -0.370 -1.467 -5.008
369 HG SER 19 HG SER 19 -1.950 -0.345 -7.050
370 H LEU 20 H LEU 20 0.609 0.283 -3.337
371 HA LEU 20 HA LEU 20 -1.612 1.873 -2.432
372 HB2 LEU 20 2HB LEU 20 0.903 1.634 -0.723
373 HB3 LEU 20 1HB LEU 20 -0.714 1.986 -0.294
374 HG LEU 20 HG LEU 20 -1.311 -0.416 -0.932
375 HD11 LEU 20 1HD1 LEU 20 0.491 -1.995 -0.654
376 HD12 LEU 20 2HD1 LEU 20 1.641 -0.670 -0.501
377 HD13 LEU 20 3HD1 LEU 20 0.805 -0.941 -2.034
378 HD21 LEU 20 3HD2 LEU 20 0.425 0.157 1.441
379 HD22 LEU 20 1HD2 LEU 20 -0.737 -1.159 1.294
380 HD23 LEU 20 2HD2 LEU 20 -1.307 0.515 1.337
381 H ALA 21 H ALA 21 1.618 2.454 -3.199
382 HA ALA 21 HA ALA 21 1.823 5.119 -2.346
383 HB1 ALA 21 1HB ALA 21 3.736 3.729 -3.076
384 HB2 ALA 21 2HB ALA 21 3.742 5.371 -3.718
385 HB3 ALA 21 3HB ALA 21 3.242 4.027 -4.743
386 H ARG 22 H ARG 22 0.218 3.920 -5.229
387 HA ARG 22 HA ARG 22 0.144 6.600 -6.321
388 HB2 ARG 22 2HB ARG 22 -1.193 5.727 -8.170
389 HB3 ARG 22 1HB ARG 22 0.245 4.752 -7.933
390 HG2 ARG 22 2HG ARG 22 -1.045 3.015 -6.914
391 HG3 ARG 22 1HG ARG 22 -2.490 4.024 -6.935
392 HD2 ARG 22 2HD ARG 22 -2.525 2.402 -8.756
393 HD3 ARG 22 1HD ARG 22 -2.455 4.050 -9.364
394 HE ARG 22 HE ARG 22 0.153 3.056 -9.157
395 HH11 ARG 22 1HH1 ARG 22 -2.757 2.520 -11.109
396 HH12 ARG 22 2HH1 ARG 22 -1.890 2.045 -12.493
397 HH21 ARG 22 1HH2 ARG 22 1.319 2.410 -11.060
398 HH22 ARG 22 2HH2 ARG 22 0.474 2.003 -12.470
399 H PHE 23 H PHE 23 -1.535 5.000 -3.987
400 HA PHE 23 HA PHE 23 -3.838 6.771 -4.371
401 HB2 PHE 23 2HB PHE 23 -3.726 4.125 -2.912
402 HB3 PHE 23 1HB PHE 23 -5.087 5.229 -2.823
403 HD1 PHE 23 2HD PHE 23 -6.464 5.636 -4.835
404 HD2 PHE 23 1HD PHE 23 -3.396 2.699 -4.788
405 HE1 PHE 23 2HE PHE 23 -7.446 4.578 -6.821
406 HE2 PHE 23 1HE PHE 23 -4.371 1.637 -6.772
407 HZ PHE 23 HZ PHE 23 -6.403 2.576 -7.795
408 H CYS 24 H CYS 24 -2.659 5.101 -1.589
409 HA CYS 24 HA CYS 24 -2.485 5.695 0.577
410 HB2 CYS 24 2HB CYS 24 -1.146 8.101 -0.679
411 HB3 CYS 24 1HB CYS 24 -1.117 7.778 1.054
412 HN1 NH2 25 HT1 CYS 24 -4.562 5.762 1.164
413 HN2 NH2 25 HT2 CYS 24 -5.467 7.217 1.363
Start of MODEL 3
1 H1 ASP 1 1HT ASP 1 12.108 -4.492 0.032
2 H2 ASP 1 2HT ASP 1 10.574 -3.948 0.503
3 H3 ASP 1 3HT ASP 1 11.723 -4.367 1.663
4 HA ASP 1 HA ASP 1 11.493 -1.974 1.466
5 HB2 ASP 1 2HB ASP 1 14.156 -3.127 0.598
6 HB3 ASP 1 1HB ASP 1 13.918 -1.468 1.118
7 H SER 2 H SER 2 11.668 -3.638 -1.502
8 HA SER 2 HA SER 2 12.343 -1.349 -3.052
9 HB2 SER 2 2HB SER 2 11.226 -4.012 -3.879
10 HB3 SER 2 1HB SER 2 12.073 -2.862 -4.898
11 HG SER 2 HG SER 2 13.922 -3.143 -3.638
12 H TRP 3 H TRP 3 10.939 -0.339 -4.421
13 HA TRP 3 HA TRP 3 8.198 -0.265 -3.464
14 HB2 TRP 3 2HB TRP 3 9.605 1.567 -5.423
15 HB3 TRP 3 1HB TRP 3 8.000 1.825 -4.741
16 HD1 TRP 3 HD TRP 3 11.264 3.181 -4.312
17 HE1 TRP 3 1HE TRP 3 11.692 4.025 -1.926
18 HE3 TRP 3 3HE TRP 3 7.439 0.814 -1.917
19 HZ2 TRP 3 2HZ TRP 3 10.561 3.715 0.649
20 HZ3 TRP 3 3HZ TRP 3 7.177 1.094 0.457
21 HH2 TRP 3 HH TRP 3 8.705 2.528 1.758
22 H MET 4 H MET 4 10.055 -0.844 -6.355
23 HA MET 4 HA MET 4 7.851 -1.255 -8.100
24 HB2 MET 4 2HB MET 4 10.666 -2.341 -8.282
25 HB3 MET 4 1HB MET 4 9.487 -2.352 -9.578
26 HG2 MET 4 2HG MET 4 10.707 0.085 -8.304
27 HG3 MET 4 1HG MET 4 11.129 -0.606 -9.870
28 HE1 MET 4 3HE MET 4 7.901 0.060 -11.969
29 HE2 MET 4 1HE MET 4 8.236 -1.400 -11.034
30 HE3 MET 4 2HE MET 4 9.527 -0.620 -11.941
31 H GLU 5 H GLU 5 9.915 -3.318 -6.192
32 HA GLU 5 HA GLU 5 8.209 -5.598 -6.838
33 HB2 GLU 5 2HB GLU 5 11.129 -5.568 -6.091
34 HB3 GLU 5 1HB GLU 5 10.174 -7.002 -6.419
35 HG2 GLU 5 2HG GLU 5 10.770 -4.807 -8.394
36 HG3 GLU 5 1HG GLU 5 11.587 -6.366 -8.320
37 H GLU 6 H GLU 6 6.811 -5.052 -5.071
38 HA GLU 6 HA GLU 6 7.476 -6.639 -2.856
39 HB2 GLU 6 2HB GLU 6 8.279 -4.089 -2.212
40 HB3 GLU 6 1HB GLU 6 6.545 -3.963 -2.056
41 HG2 GLU 6 2HG GLU 6 6.354 -5.569 -0.371
42 HG3 GLU 6 1HG GLU 6 8.030 -6.056 -0.545
43 H VAL 7 H VAL 7 5.665 -7.180 -1.796
44 HA VAL 7 HA VAL 7 3.105 -6.101 -2.493
45 HB VAL 7 HB VAL 7 3.347 -7.675 -4.358
46 HG11 VAL 7 1HG1 VAL 7 3.654 -10.075 -4.036
47 HG12 VAL 7 2HG1 VAL 7 3.867 -9.813 -2.305
48 HG13 VAL 7 3HG1 VAL 7 5.037 -9.151 -3.447
49 HG21 VAL 7 3HG2 VAL 7 1.455 -8.775 -2.258
50 HG22 VAL 7 1HG2 VAL 7 1.381 -9.136 -3.981
51 HG23 VAL 7 2HG2 VAL 7 1.098 -7.496 -3.400
52 H ILE 8 H ILE 8 1.892 -6.084 -0.814
53 HA ILE 8 HA ILE 8 2.557 -7.912 1.362
54 HB ILE 8 HB ILE 8 2.103 -6.120 2.979
55 HG12 ILE 8 2HG1 ILE 8 1.898 -4.402 0.510
56 HG13 ILE 8 1HG1 ILE 8 0.628 -4.721 1.667
57 HG21 ILE 8 1HG2 ILE 8 4.403 -6.565 2.371
58 HG22 ILE 8 2HG2 ILE 8 4.169 -4.835 2.645
59 HG23 ILE 8 3HG2 ILE 8 4.278 -5.460 1.000
60 HD11 ILE 8 3HD1 ILE 8 1.527 -2.477 1.979
61 HD12 ILE 8 1HD1 ILE 8 3.136 -3.148 2.228
62 HD13 ILE 8 2HD1 ILE 8 1.858 -3.477 3.393
63 H LYS 9 H LYS 9 0.815 -7.873 2.979
64 HA LYS 9 HA LYS 9 -1.807 -7.556 1.736
65 HB2 LYS 9 2HB LYS 9 -0.937 -9.882 3.456
66 HB3 LYS 9 1HB LYS 9 -2.599 -9.547 3.001
67 HG2 LYS 9 2HG LYS 9 -1.980 -9.842 0.640
68 HG3 LYS 9 1HG LYS 9 -0.336 -10.230 1.147
69 HD2 LYS 9 2HD LYS 9 -1.577 -12.290 0.724
70 HD3 LYS 9 1HD LYS 9 -1.237 -12.150 2.450
71 HE2 LYS 9 2HE LYS 9 -3.519 -11.294 2.820
72 HE3 LYS 9 1HE LYS 9 -3.850 -11.448 1.096
73 HZ1 LYS 9 3HZ LYS 9 -3.460 -13.855 1.343
74 HZ2 LYS 9 1HZ LYS 9 -4.746 -13.300 2.275
75 HZ3 LYS 9 2HZ LYS 9 -3.268 -13.653 2.998
76 H LEU 10 H LEU 10 -2.032 -5.665 2.776
77 HA LEU 10 HA LEU 10 -2.414 -5.869 5.675
78 HB2 LEU 10 2HB LEU 10 -1.254 -3.607 4.099
79 HB3 LEU 10 1HB LEU 10 -2.148 -3.283 5.545
80 HG LEU 10 HG LEU 10 -0.633 -4.515 6.899
81 HD11 LEU 10 1HD1 LEU 10 0.130 -6.254 5.359
82 HD12 LEU 10 2HD1 LEU 10 1.528 -5.388 6.002
83 HD13 LEU 10 3HD1 LEU 10 0.946 -5.047 4.372
84 HD21 LEU 10 3HD2 LEU 10 0.792 -2.588 5.095
85 HD22 LEU 10 1HD2 LEU 10 1.358 -3.092 6.684
86 HD23 LEU 10 2HD2 LEU 10 -0.152 -2.195 6.527
87 H CYS 11 H CYS 11 -3.857 -4.069 6.408
88 HA CYS 11 HA CYS 11 -6.002 -3.440 4.600
89 HB2 CYS 11 2HB CYS 11 -6.400 -5.734 4.883
90 HB3 CYS 11 1HB CYS 11 -6.372 -5.639 6.652
91 H GLY 12 H GLY 12 -7.692 -2.459 5.745
92 HA2 GLY 12 2HA GLY 12 -8.483 -0.780 7.181
93 HA3 GLY 12 1HA GLY 12 -7.769 -1.767 8.433
94 H ARG 13 H ARG 13 -6.766 -0.507 9.701
95 HA ARG 13 HA ARG 13 -5.629 1.966 8.978
96 HB2 ARG 13 2HB ARG 13 -6.448 1.599 11.238
97 HB3 ARG 13 1HB ARG 13 -5.231 0.355 11.500
98 HG2 ARG 13 2HG ARG 13 -3.467 2.030 11.223
99 HG3 ARG 13 1HG ARG 13 -4.695 3.270 10.990
100 HD2 ARG 13 2HD ARG 13 -5.508 2.929 13.231
101 HD3 ARG 13 1HD ARG 13 -4.391 1.579 13.457
102 HE ARG 13 HE ARG 13 -3.100 4.032 12.750
103 HH11 ARG 13 1HH1 ARG 13 -4.413 2.199 15.487
104 HH12 ARG 13 2HH1 ARG 13 -3.367 2.894 16.633
105 HH21 ARG 13 1HH2 ARG 13 -1.681 4.986 14.301
106 HH22 ARG 13 2HH2 ARG 13 -1.784 4.526 15.950
107 H GLU 14 H GLU 14 -4.200 -1.306 9.249
108 HA GLU 14 HA GLU 14 -1.504 -0.393 9.375
109 HB2 GLU 14 2HB GLU 14 -2.689 -2.986 8.402
110 HB3 GLU 14 1HB GLU 14 -0.968 -2.689 8.514
111 HG2 GLU 14 2HG GLU 14 -1.206 -2.385 10.941
112 HG3 GLU 14 1HG GLU 14 -2.928 -2.760 10.797
113 H LEU 15 H LEU 15 -3.751 -1.070 6.859
114 HA LEU 15 HA LEU 15 -1.968 -1.067 4.676
115 HB2 LEU 15 2HB LEU 15 -4.310 -1.910 4.713
116 HB3 LEU 15 1HB LEU 15 -4.866 -0.254 4.767
117 HG LEU 15 HG LEU 15 -3.882 0.126 2.533
118 HD11 LEU 15 1HD1 LEU 15 -3.140 -1.805 1.240
119 HD12 LEU 15 2HD1 LEU 15 -3.327 -2.829 2.663
120 HD13 LEU 15 3HD1 LEU 15 -2.109 -1.552 2.648
121 HD21 LEU 15 3HD2 LEU 15 -5.480 -1.255 1.316
122 HD22 LEU 15 1HD2 LEU 15 -6.211 -0.507 2.743
123 HD23 LEU 15 2HD2 LEU 15 -5.755 -2.209 2.780
124 H VAL 16 H VAL 16 -3.909 1.432 6.244
125 HA VAL 16 HA VAL 16 -3.094 3.601 4.563
126 HB VAL 16 HB VAL 16 -4.168 3.646 7.410
127 HG11 VAL 16 1HG1 VAL 16 -3.125 5.764 6.840
128 HG12 VAL 16 2HG1 VAL 16 -4.879 5.938 6.924
129 HG13 VAL 16 3HG1 VAL 16 -4.075 5.852 5.355
130 HG21 VAL 16 3HG2 VAL 16 -5.703 2.520 5.929
131 HG22 VAL 16 1HG2 VAL 16 -5.606 3.849 4.774
132 HG23 VAL 16 2HG2 VAL 16 -6.342 4.110 6.351
133 H ARG 17 H ARG 17 -1.907 2.280 7.572
134 HA ARG 17 HA ARG 17 0.029 4.222 8.134
135 HB2 ARG 17 2HB ARG 17 -0.116 1.311 8.839
136 HB3 ARG 17 1HB ARG 17 1.163 2.329 9.453
137 HG2 ARG 17 2HG ARG 17 -0.539 3.782 10.481
138 HG3 ARG 17 1HG ARG 17 -1.788 2.682 9.901
139 HD2 ARG 17 2HD ARG 17 -1.303 2.196 12.214
140 HD3 ARG 17 1HD ARG 17 -0.747 0.867 11.200
141 HE ARG 17 HE ARG 17 1.364 2.662 11.608
142 HH11 ARG 17 1HH1 ARG 17 -0.554 0.307 13.427
143 HH12 ARG 17 2HH1 ARG 17 0.703 -0.080 14.518
144 HH21 ARG 17 1HH2 ARG 17 3.089 2.122 13.155
145 HH22 ARG 17 2HH2 ARG 17 2.775 0.969 14.362
146 H ALA 18 H ALA 18 0.215 1.335 6.219
147 HA ALA 18 HA ALA 18 2.958 1.580 5.540
148 HB1 ALA 18 1HB ALA 18 2.479 -0.019 3.747
149 HB2 ALA 18 2HB ALA 18 0.748 0.210 4.003
150 HB3 ALA 18 3HB ALA 18 1.737 -0.527 5.264
151 H GLN 19 H GLN 19 -0.010 2.543 3.907
152 HA GLN 19 HA GLN 19 0.902 3.672 1.575
153 HB2 GLN 19 2HB GLN 19 -1.335 4.319 3.428
154 HB3 GLN 19 1HB GLN 19 -1.183 5.257 1.970
155 HG2 GLN 19 2HG GLN 19 -1.352 3.287 0.659
156 HG3 GLN 19 1HG GLN 19 -1.359 2.247 2.098
157 HE21 GLN 19 1HE2 GLN 19 -3.143 2.199 0.026
158 HE22 GLN 19 2HE2 GLN 19 -4.703 2.650 0.609
159 H ILE 20 H ILE 20 0.250 5.398 4.560
160 HA ILE 20 HA ILE 20 1.396 7.834 3.822
161 HB ILE 20 HB ILE 20 0.575 6.654 6.441
162 HG12 ILE 20 2HG1 ILE 20 -0.863 8.650 6.554
163 HG13 ILE 20 1HG1 ILE 20 -0.136 9.262 5.081
164 HG21 ILE 20 1HG2 ILE 20 2.647 7.730 7.086
165 HG22 ILE 20 2HG2 ILE 20 1.270 8.633 7.715
166 HG23 ILE 20 3HG2 ILE 20 2.140 9.225 6.299
167 HD11 ILE 20 3HD1 ILE 20 -1.817 6.779 5.348
168 HD12 ILE 20 1HD1 ILE 20 -1.079 7.361 3.856
169 HD13 ILE 20 2HD1 ILE 20 -2.318 8.324 4.656
170 H ALA 21 H ALA 21 2.913 5.031 5.295
171 HA ALA 21 HA ALA 21 5.380 6.268 5.913
172 HB1 ALA 21 1HB ALA 21 4.859 3.368 5.236
173 HB2 ALA 21 2HB ALA 21 4.741 4.078 6.845
174 HB3 ALA 21 3HB ALA 21 6.302 4.000 6.028
175 H ILE 22 H ILE 22 4.235 4.531 3.066
176 HA ILE 22 HA ILE 22 6.603 4.628 1.532
177 HB ILE 22 HB ILE 22 3.778 4.762 0.442
178 HG12 ILE 22 2HG1 ILE 22 5.451 2.298 0.921
179 HG13 ILE 22 1HG1 ILE 22 4.166 2.833 2.001
180 HG21 ILE 22 1HG2 ILE 22 6.374 3.829 -0.788
181 HG22 ILE 22 2HG2 ILE 22 5.463 5.276 -1.230
182 HG23 ILE 22 3HG2 ILE 22 4.785 3.673 -1.531
183 HD11 ILE 22 3HD1 ILE 22 3.348 1.095 0.533
184 HD12 ILE 22 1HD1 ILE 22 3.849 2.030 -0.882
185 HD13 ILE 22 2HD1 ILE 22 2.570 2.634 0.167
186 H CYS 23 H CYS 23 3.942 6.870 1.915
187 HA CYS 23 HA CYS 23 4.817 8.637 -0.133
188 HB2 CYS 23 2HB CYS 23 2.838 8.840 2.079
189 HB3 CYS 23 1HB CYS 23 3.161 10.172 0.975
190 H GLY 24 H GLY 24 5.419 8.351 3.174
191 HA2 GLY 24 2HA GLY 24 6.730 10.879 3.517
192 HA3 GLY 24 1HA GLY 24 6.883 9.502 4.607
193 H MET 25 H MET 25 7.638 7.904 2.121
194 HA MET 25 HA MET 25 10.467 8.743 1.923
195 HB2 MET 25 2HB MET 25 9.315 5.946 2.116
196 HB3 MET 25 1HB MET 25 11.003 6.300 1.803
197 HG2 MET 25 2HG MET 25 11.224 7.307 4.005
198 HG3 MET 25 1HG MET 25 9.510 7.045 4.314
199 HE1 MET 25 3HE MET 25 9.293 3.132 4.526
200 HE2 MET 25 1HE MET 25 9.039 4.121 3.088
201 HE3 MET 25 2HE MET 25 8.411 4.653 4.645
202 H SER 26 H SER 26 8.400 9.482 0.138
203 HA SER 26 HA SER 26 8.422 7.571 -2.032
204 HB2 SER 26 2HB SER 26 6.292 8.679 -1.434
205 HB3 SER 26 1HB SER 26 6.978 10.238 -1.887
206 HG SER 26 HG SER 26 7.246 9.341 -4.023
207 H THR 27 H THR 27 10.750 7.934 -2.087
208 HA THR 27 HA THR 27 11.670 10.226 -3.580
209 HB THR 27 HB THR 27 13.145 7.648 -3.046
210 HG1 THR 27 1HG THR 27 12.493 9.834 -1.394
211 HG21 THR 27 3HG2 THR 27 14.245 9.211 -4.609
212 HG22 THR 27 1HG2 THR 27 15.144 9.101 -3.096
213 HG23 THR 27 2HG2 THR 27 14.117 10.498 -3.410
214 H TRP 28 H TRP 28 10.346 7.344 -4.133
215 HA TRP 28 HA TRP 28 10.830 7.394 -7.040
216 HB2 TRP 28 2HB TRP 28 10.597 4.874 -5.364
217 HB3 TRP 28 1HB TRP 28 10.870 4.951 -7.098
218 HD1 TRP 28 HD TRP 28 12.668 5.069 -3.782
219 HE1 TRP 28 1HE TRP 28 15.205 5.146 -4.167
220 HE3 TRP 28 3HE TRP 28 12.688 5.863 -8.832
221 HZ2 TRP 28 2HZ TRP 28 16.986 5.487 -6.332
222 HZ3 TRP 28 3HZ TRP 28 14.853 6.047 -9.984
223 HH2 TRP 28 HH TRP 28 16.956 5.864 -8.760
224 H SER 29 H SER 29 8.998 6.183 -8.162
225 HA SER 29 HA SER 29 6.534 6.881 -6.831
226 HB2 SER 29 2HB SER 29 6.940 7.622 -9.181
227 HB3 SER 29 1HB SER 29 7.063 5.939 -9.672
228 HG SER 29 HG SER 29 4.764 7.090 -8.462
229 HN1 NH2 30 HT1 SER 29 6.106 5.330 -5.401
230 HN2 NH2 30 HT2 SER 29 6.019 3.631 -5.722
231 HA PCA 1 HA PCA 1 -13.951 5.183 -6.019
232 HB2 PCA 1 2HB PCA 1 -13.292 4.565 -3.288
233 HB3 PCA 1 1HB PCA 1 -14.101 6.034 -3.902
234 HG2 PCA 1 2HG PCA 1 -15.269 3.936 -2.358
235 HG3 PCA 1 1HG PCA 1 -16.141 5.283 -3.170
236 H LEU 2 H LEU 2 -11.838 4.839 -6.444
237 HA LEU 2 HA LEU 2 -10.935 2.067 -6.415
238 HB2 LEU 2 2HB LEU 2 -9.625 4.530 -7.573
239 HB3 LEU 2 1HB LEU 2 -8.904 2.938 -7.584
240 HG LEU 2 HG LEU 2 -10.823 2.156 -9.003
241 HD11 LEU 2 1HD1 LEU 2 -12.456 3.870 -8.459
242 HD12 LEU 2 2HD1 LEU 2 -12.163 3.793 -10.195
243 HD13 LEU 2 3HD1 LEU 2 -11.449 5.091 -9.239
244 HD21 LEU 2 3HD2 LEU 2 -9.125 4.383 -10.109
245 HD22 LEU 2 1HD2 LEU 2 -9.960 3.154 -11.059
246 HD23 LEU 2 2HD2 LEU 2 -8.660 2.687 -9.964
247 H TYR 3 H TYR 3 -10.498 4.669 -4.433
248 HA TYR 3 HA TYR 3 -8.211 3.546 -3.290
249 HB2 TYR 3 2HB TYR 3 -8.795 5.848 -2.754
250 HB3 TYR 3 1HB TYR 3 -10.302 5.307 -1.989
251 HD1 TYR 3 1HD TYR 3 -6.703 4.567 -1.923
252 HD2 TYR 3 2HD TYR 3 -10.287 5.007 0.265
253 HE1 TYR 3 1HE TYR 3 -5.514 4.008 0.025
254 HE2 TYR 3 2HE TYR 3 -9.139 4.463 2.306
255 HH TYR 3 HH TYR 3 -5.665 4.225 2.508
256 H SER 4 H SER 4 -11.676 3.153 -2.599
257 HA SER 4 HA SER 4 -11.378 1.317 -0.515
258 HB2 SER 4 2HB SER 4 -13.658 1.618 -2.477
259 HB3 SER 4 1HB SER 4 -13.748 0.889 -0.869
260 HG SER 4 HG SER 4 -13.242 2.883 0.025
261 H ALA 5 H ALA 5 -11.361 1.011 -3.998
262 HA ALA 5 HA ALA 5 -11.600 -1.771 -4.219
263 HB1 ALA 5 1HB ALA 5 -10.017 0.102 -5.988
264 HB2 ALA 5 2HB ALA 5 -11.736 -0.249 -6.159
265 HB3 ALA 5 3HB ALA 5 -10.544 -1.524 -6.418
266 H LEU 6 H LEU 6 -8.664 0.273 -4.070
267 HA LEU 6 HA LEU 6 -6.794 -1.818 -3.890
268 HB2 LEU 6 2HB LEU 6 -6.009 0.448 -4.254
269 HB3 LEU 6 1HB LEU 6 -6.676 0.973 -2.720
270 HG LEU 6 HG LEU 6 -5.070 -0.544 -1.559
271 HD11 LEU 6 1HD1 LEU 6 -4.644 -2.117 -3.300
272 HD12 LEU 6 2HD1 LEU 6 -3.137 -1.374 -2.767
273 HD13 LEU 6 3HD1 LEU 6 -3.880 -0.871 -4.285
274 HD21 LEU 6 3HD2 LEU 6 -4.565 1.838 -1.772
275 HD22 LEU 6 1HD2 LEU 6 -3.778 1.537 -3.321
276 HD23 LEU 6 2HD2 LEU 6 -3.101 0.863 -1.838
277 H ALA 7 H ALA 7 -8.567 -0.112 -1.393
278 HA ALA 7 HA ALA 7 -7.396 -1.212 0.861
279 HB1 ALA 7 1HB ALA 7 -9.425 -0.617 2.051
280 HB2 ALA 7 2HB ALA 7 -10.293 -0.460 0.525
281 HB3 ALA 7 3HB ALA 7 -8.987 0.660 0.914
282 H ASN 8 H ASN 8 -10.280 -2.346 -0.839
283 HA ASN 8 HA ASN 8 -10.603 -4.678 0.731
284 HB2 ASN 8 2HB ASN 8 -11.684 -3.963 -2.002
285 HB3 ASN 8 1HB ASN 8 -12.146 -5.409 -1.116
286 HD21 ASN 8 1HD2 ASN 8 -14.303 -4.701 -1.102
287 HD22 ASN 8 2HD2 ASN 8 -14.829 -3.412 -0.064
288 H LYS 9 H LYS 9 -9.144 -4.140 -2.438
289 HA LYS 9 HA LYS 9 -8.598 -6.832 -2.945
290 HB2 LYS 9 2HB LYS 9 -7.374 -4.317 -4.008
291 HB3 LYS 9 1HB LYS 9 -6.836 -5.884 -4.568
292 HG2 LYS 9 2HG LYS 9 -9.155 -6.371 -5.300
293 HG3 LYS 9 1HG LYS 9 -9.631 -4.765 -4.756
294 HD2 LYS 9 2HD LYS 9 -9.280 -4.780 -7.164
295 HD3 LYS 9 1HD LYS 9 -8.071 -3.768 -6.374
296 HE2 LYS 9 2HE LYS 9 -6.426 -5.513 -6.566
297 HE3 LYS 9 1HE LYS 9 -7.621 -6.631 -7.219
298 HZ1 LYS 9 3HZ LYS 9 -6.277 -5.701 -8.982
299 HZ2 LYS 9 1HZ LYS 9 -6.674 -4.125 -8.505
300 HZ3 LYS 9 2HZ LYS 9 -7.858 -5.124 -9.121
301 H CYS 10 H CYS 10 -6.579 -4.427 -1.336
302 HA CYS 10 HA CYS 10 -4.389 -6.314 -1.113
303 HB2 CYS 10 2HB CYS 10 -4.215 -3.751 -1.151
304 HB3 CYS 10 1HB CYS 10 -4.796 -3.806 0.504
305 H CYS 11 H CYS 11 -7.210 -5.498 0.708
306 HA CYS 11 HA CYS 11 -6.365 -6.631 3.143
307 HB2 CYS 11 2HB CYS 11 -8.220 -4.981 2.876
308 HB3 CYS 11 1HB CYS 11 -9.196 -6.236 2.120
309 H HIS 12 H HIS 12 -7.961 -7.829 0.266
310 HA HIS 12 HA HIS 12 -8.204 -10.464 1.455
311 HB2 HIS 12 2HB HIS 12 -9.188 -9.371 -1.170
312 HB3 HIS 12 1HB HIS 12 -9.331 -11.072 -0.741
313 HD1 HIS 12 1HD HIS 12 -11.372 -11.694 0.687
314 HD2 HIS 12 2HD HIS 12 -10.637 -7.610 0.540
315 HE1 HIS 12 1HE HIS 12 -13.315 -10.586 1.826
316 H VAL 13 H VAL 13 -6.924 -9.344 -1.704
317 HA VAL 13 HA VAL 13 -5.318 -11.757 -1.675
318 HB VAL 13 HB VAL 13 -4.674 -11.176 -3.989
319 HG11 VAL 13 1HG1 VAL 13 -6.489 -12.763 -3.555
320 HG12 VAL 13 2HG1 VAL 13 -6.906 -11.796 -4.973
321 HG13 VAL 13 3HG1 VAL 13 -7.638 -11.433 -3.410
322 HG21 VAL 13 3HG2 VAL 13 -6.076 -9.561 -5.266
323 HG22 VAL 13 1HG2 VAL 13 -5.062 -8.792 -4.043
324 HG23 VAL 13 2HG2 VAL 13 -6.780 -9.026 -3.739
325 H GLY 14 H GLY 14 -4.790 -8.358 -2.059
326 HA2 GLY 14 2HA GLY 14 -2.858 -7.658 -0.464
327 HA3 GLY 14 1HA GLY 14 -1.941 -8.775 -1.422
328 H CYS 15 H CYS 15 -0.969 -6.387 -1.402
329 HA CYS 15 HA CYS 15 -1.586 -5.384 -4.061
330 HB2 CYS 15 2HB CYS 15 -1.530 -3.087 -3.230
331 HB3 CYS 15 1HB CYS 15 -2.926 -4.001 -2.700
332 H THR 16 H THR 16 0.076 -4.201 -4.971
333 HA THR 16 HA THR 16 2.656 -4.863 -3.945
334 HB THR 16 HB THR 16 3.427 -3.642 -6.034
335 HG1 THR 16 1HG THR 16 0.861 -3.929 -7.079
336 HG21 THR 16 3HG2 THR 16 1.566 -5.995 -6.367
337 HG22 THR 16 1HG2 THR 16 3.279 -6.072 -5.957
338 HG23 THR 16 2HG2 THR 16 2.780 -5.479 -7.541
339 H LYS 17 H LYS 17 4.173 -3.304 -3.603
340 HA LYS 17 HA LYS 17 3.245 -1.206 -1.897
341 HB2 LYS 17 2HB LYS 17 5.442 -2.569 -2.032
342 HB3 LYS 17 1HB LYS 17 6.103 -1.219 -2.926
343 HG2 LYS 17 2HG LYS 17 6.669 -1.099 -0.674
344 HG3 LYS 17 1HG LYS 17 5.495 0.212 -0.969
345 HD2 LYS 17 2HD LYS 17 3.736 -1.215 0.016
346 HD3 LYS 17 1HD LYS 17 4.917 -2.502 0.246
347 HE2 LYS 17 2HE LYS 17 4.998 0.220 1.531
348 HE3 LYS 17 1HE LYS 17 4.458 -1.269 2.303
349 HZ1 LYS 17 3HZ LYS 17 6.685 -0.896 2.948
350 HZ2 LYS 17 1HZ LYS 17 7.202 -0.648 1.350
351 HZ3 LYS 17 2HZ LYS 17 6.698 -2.170 1.820
352 H ARG 18 H ARG 18 4.276 -1.142 -5.237
353 HA ARG 18 HA ARG 18 4.108 1.655 -5.623
354 HB2 ARG 18 2HB ARG 18 3.807 -0.691 -7.441
355 HB3 ARG 18 1HB ARG 18 3.435 0.920 -8.022
356 HG2 ARG 18 2HG ARG 18 5.696 1.633 -7.541
357 HG3 ARG 18 1HG ARG 18 6.066 0.038 -6.876
358 HD2 ARG 18 2HD ARG 18 5.109 0.502 -9.685
359 HD3 ARG 18 1HD ARG 18 6.811 0.387 -9.239
360 HE ARG 18 HE ARG 18 5.941 -1.879 -8.243
361 HH11 ARG 18 1HH1 ARG 18 5.064 -0.449 -11.363
362 HH12 ARG 18 2HH1 ARG 18 4.952 -1.940 -12.170
363 HH21 ARG 18 1HH2 ARG 18 5.817 -3.929 -9.351
364 HH22 ARG 18 2HH2 ARG 18 5.344 -3.981 -10.980
365 H SER 19 H SER 19 1.689 -0.754 -5.256
366 HA SER 19 HA SER 19 -0.397 0.641 -6.583
367 HB2 SER 19 2HB SER 19 -0.318 -1.831 -6.405
368 HB3 SER 19 1HB SER 19 -0.477 -1.715 -4.665
369 HG SER 19 HG SER 19 -2.369 -0.779 -6.559
370 H LEU 20 H LEU 20 0.617 0.135 -3.199
371 HA LEU 20 HA LEU 20 -1.484 1.868 -2.207
372 HB2 LEU 20 2HB LEU 20 1.057 1.543 -0.624
373 HB3 LEU 20 1HB LEU 20 -0.532 1.849 -0.095
374 HG LEU 20 HG LEU 20 -1.104 -0.564 -0.712
375 HD11 LEU 20 1HD1 LEU 20 1.877 -0.685 -0.525
376 HD12 LEU 20 2HD1 LEU 20 0.923 -1.053 -1.971
377 HD13 LEU 20 3HD1 LEU 20 0.799 -2.075 -0.538
378 HD21 LEU 20 3HD2 LEU 20 -0.266 -1.313 1.446
379 HD22 LEU 20 1HD2 LEU 20 -0.992 0.293 1.547
380 HD23 LEU 20 2HD2 LEU 20 0.765 0.113 1.534
381 H ALA 21 H ALA 21 1.704 2.254 -3.247
382 HA ALA 21 HA ALA 21 2.202 4.875 -2.333
383 HB1 ALA 21 1HB ALA 21 3.299 3.643 -4.841
384 HB2 ALA 21 2HB ALA 21 3.910 3.317 -3.235
385 HB3 ALA 21 3HB ALA 21 4.020 4.953 -3.902
386 H ARG 22 H ARG 22 0.521 3.741 -5.178
387 HA ARG 22 HA ARG 22 0.472 6.393 -6.316
388 HB2 ARG 22 2HB ARG 22 -0.710 5.422 -8.190
389 HB3 ARG 22 1HB ARG 22 0.726 4.485 -7.817
390 HG2 ARG 22 2HG ARG 22 -0.769 2.891 -6.595
391 HG3 ARG 22 1HG ARG 22 -2.138 3.794 -7.243
392 HD2 ARG 22 2HD ARG 22 -0.000 2.387 -8.831
393 HD3 ARG 22 1HD ARG 22 -1.671 1.866 -8.626
394 HE ARG 22 HE ARG 22 -1.581 4.469 -9.709
395 HH11 ARG 22 1HH1 ARG 22 -0.994 1.111 -10.617
396 HH12 ARG 22 2HH1 ARG 22 -1.364 1.339 -12.259
397 HH21 ARG 22 1HH2 ARG 22 -2.081 4.802 -11.959
398 HH22 ARG 22 2HH2 ARG 22 -1.985 3.495 -13.044
399 H PHE 23 H PHE 23 -1.355 4.825 -4.051
400 HA PHE 23 HA PHE 23 -3.658 6.543 -4.654
401 HB2 PHE 23 2HB PHE 23 -3.500 4.019 -3.019
402 HB3 PHE 23 1HB PHE 23 -4.857 5.129 -2.887
403 HD1 PHE 23 1HD PHE 23 -3.155 2.709 -5.045
404 HD2 PHE 23 2HD PHE 23 -6.456 5.343 -4.654
405 HE1 PHE 23 1HE PHE 23 -4.234 1.624 -6.962
406 HE2 PHE 23 2HE PHE 23 -7.544 4.271 -6.567
407 HZ PHE 23 HZ PHE 23 -6.437 2.404 -7.731
408 H CYS 24 H CYS 24 -1.875 5.340 -1.958
409 HA CYS 24 HA CYS 24 -1.160 6.193 -0.021
410 HB2 CYS 24 2HB CYS 24 -0.150 7.859 -1.661
411 HB3 CYS 24 1HB CYS 24 -1.453 8.951 -1.223
412 HN1 NH2 25 HT1 CYS 24 -3.201 9.015 -0.643
413 HN2 NH2 25 HT2 CYS 24 -4.289 8.723 0.662
Start of MODEL 4
1 H1 ASP 1 1HT ASP 1 11.767 3.893 -3.064
2 H2 ASP 1 2HT ASP 1 11.981 5.044 -4.228
3 H3 ASP 1 3HT ASP 1 13.351 4.330 -3.589
4 HA ASP 1 HA ASP 1 11.334 3.217 -5.422
5 HB2 ASP 1 2HB ASP 1 13.256 2.935 -6.907
6 HB3 ASP 1 1HB ASP 1 13.122 4.623 -6.401
7 H SER 2 H SER 2 14.064 2.354 -3.330
8 HA SER 2 HA SER 2 14.251 -0.317 -4.051
9 HB2 SER 2 2HB SER 2 14.792 0.816 -1.313
10 HB3 SER 2 1HB SER 2 15.578 -0.578 -2.066
11 HG SER 2 HG SER 2 16.506 0.745 -3.552
12 H TRP 3 H TRP 3 11.994 1.142 -2.334
13 HA TRP 3 HA TRP 3 10.939 -1.197 -0.942
14 HB2 TRP 3 2HB TRP 3 9.310 0.467 0.079
15 HB3 TRP 3 1HB TRP 3 11.004 0.669 0.503
16 HD1 TRP 3 HD TRP 3 12.027 3.051 0.113
17 HE1 TRP 3 1HE TRP 3 11.206 5.216 -1.011
18 HE3 TRP 3 3HE TRP 3 7.701 1.337 -2.049
19 HZ2 TRP 3 2HZ TRP 3 9.089 6.083 -2.566
20 HZ3 TRP 3 3HZ TRP 3 6.353 2.902 -3.350
21 HH2 TRP 3 HH TRP 3 7.027 5.244 -3.607
22 H MET 4 H MET 4 10.533 0.154 -3.969
23 HA MET 4 HA MET 4 7.662 0.274 -3.951
24 HB2 MET 4 2HB MET 4 7.706 1.021 -6.199
25 HB3 MET 4 1HB MET 4 9.021 1.818 -5.364
26 HG2 MET 4 2HG MET 4 10.613 0.270 -6.380
27 HG3 MET 4 1HG MET 4 9.292 -0.544 -7.219
28 HE1 MET 4 3HE MET 4 10.588 -0.234 -9.505
29 HE2 MET 4 1HE MET 4 11.899 0.584 -8.657
30 HE3 MET 4 2HE MET 4 11.187 1.316 -10.095
31 H GLU 5 H GLU 5 9.986 -2.045 -4.987
32 HA GLU 5 HA GLU 5 7.893 -3.699 -6.170
33 HB2 GLU 5 2HB GLU 5 10.354 -3.506 -7.038
34 HB3 GLU 5 1HB GLU 5 10.775 -4.505 -5.662
35 HG2 GLU 5 2HG GLU 5 8.982 -5.289 -7.964
36 HG3 GLU 5 1HG GLU 5 10.643 -5.794 -7.721
37 H GLU 6 H GLU 6 6.592 -4.413 -4.620
38 HA GLU 6 HA GLU 6 7.449 -6.283 -2.698
39 HB2 GLU 6 2HB GLU 6 8.041 -3.869 -1.713
40 HB3 GLU 6 1HB GLU 6 6.299 -3.815 -1.597
41 HG2 GLU 6 2HG GLU 6 6.135 -5.510 -0.054
42 HG3 GLU 6 1HG GLU 6 7.800 -6.026 -0.325
43 H VAL 7 H VAL 7 5.642 -7.070 -1.638
44 HA VAL 7 HA VAL 7 3.026 -6.109 -2.389
45 HB VAL 7 HB VAL 7 3.506 -7.808 -4.136
46 HG11 VAL 7 1HG1 VAL 7 3.834 -9.777 -1.881
47 HG12 VAL 7 2HG1 VAL 7 5.102 -9.211 -2.965
48 HG13 VAL 7 3HG1 VAL 7 3.769 -10.180 -3.597
49 HG21 VAL 7 3HG2 VAL 7 1.200 -7.552 -3.413
50 HG22 VAL 7 1HG2 VAL 7 1.441 -8.741 -2.137
51 HG23 VAL 7 2HG2 VAL 7 1.521 -9.232 -3.828
52 H ILE 8 H ILE 8 1.688 -6.209 -0.744
53 HA ILE 8 HA ILE 8 2.465 -7.855 1.555
54 HB ILE 8 HB ILE 8 1.787 -6.055 3.075
55 HG12 ILE 8 2HG1 ILE 8 1.440 -4.443 0.546
56 HG13 ILE 8 1HG1 ILE 8 0.172 -4.921 1.651
57 HG21 ILE 8 1HG2 ILE 8 3.882 -5.188 1.089
58 HG22 ILE 8 2HG2 ILE 8 4.137 -6.217 2.500
59 HG23 ILE 8 3HG2 ILE 8 3.672 -4.524 2.709
60 HD11 ILE 8 3HD1 ILE 8 0.735 -2.577 1.959
61 HD12 ILE 8 1HD1 ILE 8 2.412 -3.012 2.292
62 HD13 ILE 8 2HD1 ILE 8 1.136 -3.515 3.398
63 H LYS 9 H LYS 9 0.593 -7.898 3.105
64 HA LYS 9 HA LYS 9 -1.974 -7.787 1.724
65 HB2 LYS 9 2HB LYS 9 -1.166 -10.141 1.648
66 HB3 LYS 9 1HB LYS 9 -1.039 -10.138 3.398
67 HG2 LYS 9 2HG LYS 9 -3.465 -9.848 3.576
68 HG3 LYS 9 1HG LYS 9 -3.593 -9.846 1.814
69 HD2 LYS 9 2HD LYS 9 -2.651 -12.108 1.751
70 HD3 LYS 9 1HD LYS 9 -2.532 -12.105 3.509
71 HE2 LYS 9 2HE LYS 9 -4.957 -11.915 3.671
72 HE3 LYS 9 1HE LYS 9 -5.077 -11.877 1.911
73 HZ1 LYS 9 3HZ LYS 9 -4.068 -14.147 3.547
74 HZ2 LYS 9 1HZ LYS 9 -4.110 -14.125 1.860
75 HZ3 LYS 9 2HZ LYS 9 -5.534 -14.077 2.733
76 H LEU 10 H LEU 10 -2.257 -5.911 2.868
77 HA LEU 10 HA LEU 10 -2.746 -6.193 5.764
78 HB2 LEU 10 2HB LEU 10 -1.466 -3.976 4.230
79 HB3 LEU 10 1HB LEU 10 -2.443 -3.567 5.599
80 HG LEU 10 HG LEU 10 -1.001 -4.785 7.093
81 HD11 LEU 10 1HD1 LEU 10 0.690 -5.411 4.668
82 HD12 LEU 10 2HD1 LEU 10 -0.240 -6.584 5.602
83 HD13 LEU 10 3HD1 LEU 10 1.133 -5.755 6.340
84 HD21 LEU 10 3HD2 LEU 10 0.615 -3.013 5.283
85 HD22 LEU 10 1HD2 LEU 10 0.970 -3.386 6.962
86 HD23 LEU 10 2HD2 LEU 10 -0.472 -2.447 6.535
87 H CYS 11 H CYS 11 -4.164 -4.307 6.428
88 HA CYS 11 HA CYS 11 -6.282 -3.916 4.449
89 HB2 CYS 11 2HB CYS 11 -6.935 -4.982 7.179
90 HB3 CYS 11 1HB CYS 11 -7.993 -4.675 5.806
91 H GLY 12 H GLY 12 -7.828 -2.336 5.096
92 HA2 GLY 12 2HA GLY 12 -8.462 -0.271 5.892
93 HA3 GLY 12 1HA GLY 12 -8.248 -1.076 7.414
94 H ARG 13 H ARG 13 -7.114 -0.182 8.695
95 HA ARG 13 HA ARG 13 -5.898 2.351 8.256
96 HB2 ARG 13 2HB ARG 13 -5.835 0.651 10.750
97 HB3 ARG 13 1HB ARG 13 -5.481 2.375 10.655
98 HG2 ARG 13 2HG ARG 13 -7.735 2.839 9.954
99 HG3 ARG 13 1HG ARG 13 -8.120 1.119 9.949
100 HD2 ARG 13 2HD ARG 13 -7.617 1.119 12.400
101 HD3 ARG 13 1HD ARG 13 -7.474 2.878 12.303
102 HE ARG 13 HE ARG 13 -9.885 1.944 11.142
103 HH11 ARG 13 1HH1 ARG 13 -8.424 2.685 14.282
104 HH12 ARG 13 2HH1 ARG 13 -9.897 2.983 15.065
105 HH21 ARG 13 1HH2 ARG 13 -11.928 2.331 12.207
106 HH22 ARG 13 2HH2 ARG 13 -11.951 2.792 13.848
107 H GLU 14 H GLU 14 -4.619 -0.898 8.363
108 HA GLU 14 HA GLU 14 -1.945 0.004 8.887
109 HB2 GLU 14 2HB GLU 14 -3.093 -2.634 8.041
110 HB3 GLU 14 1HB GLU 14 -1.374 -2.366 8.260
111 HG2 GLU 14 2HG GLU 14 -1.906 -1.648 10.611
112 HG3 GLU 14 1HG GLU 14 -3.551 -2.202 10.330
113 H LEU 15 H LEU 15 -3.938 -0.693 6.195
114 HA LEU 15 HA LEU 15 -2.000 -0.562 4.130
115 HB2 LEU 15 2HB LEU 15 -4.862 0.387 4.103
116 HB3 LEU 15 1HB LEU 15 -3.857 0.224 2.680
117 HG LEU 15 HG LEU 15 -4.633 -2.058 4.474
118 HD11 LEU 15 1HD1 LEU 15 -6.573 -1.097 3.359
119 HD12 LEU 15 2HD1 LEU 15 -6.154 -2.676 2.713
120 HD13 LEU 15 3HD1 LEU 15 -5.729 -1.207 1.807
121 HD21 LEU 15 3HD2 LEU 15 -3.398 -1.990 1.739
122 HD22 LEU 15 1HD2 LEU 15 -3.873 -3.402 2.685
123 HD23 LEU 15 2HD2 LEU 15 -2.559 -2.371 3.258
124 H VAL 16 H VAL 16 -3.922 1.855 5.777
125 HA VAL 16 HA VAL 16 -2.943 4.107 4.366
126 HB VAL 16 HB VAL 16 -4.032 4.019 7.206
127 HG11 VAL 16 1HG1 VAL 16 -4.629 6.373 6.842
128 HG12 VAL 16 2HG1 VAL 16 -3.861 6.318 5.255
129 HG13 VAL 16 3HG1 VAL 16 -2.888 6.116 6.712
130 HG21 VAL 16 3HG2 VAL 16 -5.623 3.040 5.651
131 HG22 VAL 16 1HG2 VAL 16 -5.495 4.451 4.604
132 HG23 VAL 16 2HG2 VAL 16 -6.201 4.609 6.212
133 H ARG 17 H ARG 17 -1.904 2.526 7.353
134 HA ARG 17 HA ARG 17 0.200 4.273 7.937
135 HB2 ARG 17 2HB ARG 17 -0.343 1.435 8.641
136 HB3 ARG 17 1HB ARG 17 1.234 2.088 9.018
137 HG2 ARG 17 2HG ARG 17 -1.415 3.149 9.984
138 HG3 ARG 17 1HG ARG 17 -0.256 2.210 10.923
139 HD2 ARG 17 2HD ARG 17 0.191 4.984 9.790
140 HD3 ARG 17 1HD ARG 17 -0.014 4.541 11.478
141 HE ARG 17 HE ARG 17 2.061 3.041 10.787
142 HH11 ARG 17 1HH1 ARG 17 1.483 6.526 10.427
143 HH12 ARG 17 2HH1 ARG 17 3.142 6.925 10.436
144 HH21 ARG 17 1HH2 ARG 17 4.327 3.629 10.830
145 HH22 ARG 17 2HH2 ARG 17 4.765 5.270 10.700
146 H ALA 18 H ALA 18 0.132 1.487 5.882
147 HA ALA 18 HA ALA 18 2.900 1.501 5.258
148 HB1 ALA 18 1HB ALA 18 2.295 0.046 3.366
149 HB2 ALA 18 2HB ALA 18 0.589 0.412 3.646
150 HB3 ALA 18 3HB ALA 18 1.510 -0.474 4.857
151 H GLN 19 H GLN 19 0.062 2.838 3.662
152 HA GLN 19 HA GLN 19 1.149 4.058 1.451
153 HB2 GLN 19 2HB GLN 19 -1.114 4.653 3.269
154 HB3 GLN 19 1HB GLN 19 -0.819 5.792 1.994
155 HG2 GLN 19 2HG GLN 19 -1.049 3.943 0.373
156 HG3 GLN 19 1HG GLN 19 -1.346 2.834 1.717
157 HE21 GLN 19 1HE2 GLN 19 -2.951 3.472 -0.571
158 HE22 GLN 19 2HE2 GLN 19 -4.468 4.043 0.034
159 H ILE 20 H ILE 20 0.528 5.492 4.609
160 HA ILE 20 HA ILE 20 1.753 7.975 4.320
161 HB ILE 20 HB ILE 20 1.398 6.276 6.810
162 HG12 ILE 20 2HG1 ILE 20 -0.201 8.627 5.779
163 HG13 ILE 20 1HG1 ILE 20 -0.678 6.939 5.655
164 HG21 ILE 20 1HG2 ILE 20 3.163 7.900 7.211
165 HG22 ILE 20 2HG2 ILE 20 1.707 8.302 8.122
166 HG23 ILE 20 3HG2 ILE 20 2.102 9.199 6.657
167 HD11 ILE 20 3HD1 ILE 20 -0.297 8.490 8.209
168 HD12 ILE 20 1HD1 ILE 20 -0.772 6.795 8.096
169 HD13 ILE 20 2HD1 ILE 20 -1.839 8.052 7.474
170 H ALA 21 H ALA 21 3.143 4.906 5.422
171 HA ALA 21 HA ALA 21 5.701 5.862 6.047
172 HB1 ALA 21 1HB ALA 21 4.879 3.666 6.780
173 HB2 ALA 21 2HB ALA 21 6.422 3.529 5.935
174 HB3 ALA 21 3HB ALA 21 4.923 3.099 5.111
175 H ILE 22 H ILE 22 4.376 4.514 3.085
176 HA ILE 22 HA ILE 22 6.616 4.449 1.433
177 HB ILE 22 HB ILE 22 3.707 4.940 0.832
178 HG12 ILE 22 2HG1 ILE 22 5.452 2.530 0.329
179 HG13 ILE 22 1HG1 ILE 22 4.369 2.723 1.704
180 HG21 ILE 22 1HG2 ILE 22 4.157 4.523 -1.528
181 HG22 ILE 22 2HG2 ILE 22 5.890 4.527 -1.195
182 HG23 ILE 22 3HG2 ILE 22 4.941 5.995 -0.954
183 HD11 ILE 22 3HD1 ILE 22 2.476 2.842 0.169
184 HD12 ILE 22 1HD1 ILE 22 3.366 1.328 0.005
185 HD13 ILE 22 2HD1 ILE 22 3.573 2.607 -1.193
186 H CYS 23 H CYS 23 4.348 7.099 1.955
187 HA CYS 23 HA CYS 23 5.718 8.809 0.136
188 HB2 CYS 23 2HB CYS 23 3.522 9.177 2.098
189 HB3 CYS 23 1HB CYS 23 4.275 10.568 1.329
190 H GLY 24 H GLY 24 5.994 8.138 3.402
191 HA2 GLY 24 2HA GLY 24 7.847 10.335 3.920
192 HA3 GLY 24 1HA GLY 24 7.399 9.079 5.068
193 H MET 25 H MET 25 8.239 7.693 2.115
194 HA MET 25 HA MET 25 10.887 6.934 3.132
195 HB2 MET 25 2HB MET 25 8.898 5.578 1.367
196 HB3 MET 25 1HB MET 25 10.594 5.154 1.231
197 HG2 MET 25 2HG MET 25 8.954 5.010 3.738
198 HG3 MET 25 1HG MET 25 9.351 3.654 2.677
199 HE1 MET 25 3HE MET 25 11.545 3.065 5.893
200 HE2 MET 25 1HE MET 25 10.267 2.417 4.868
201 HE3 MET 25 2HE MET 25 9.960 3.841 5.859
202 H SER 26 H SER 26 10.565 9.419 1.864
203 HA SER 26 HA SER 26 11.411 9.173 -0.869
204 HB2 SER 26 2HB SER 26 9.872 10.989 -0.062
205 HB3 SER 26 1HB SER 26 11.196 11.640 0.895
206 HG SER 26 HG SER 26 12.341 11.850 -1.119
207 H THR 27 H THR 27 13.034 8.272 1.548
208 HA THR 27 HA THR 27 15.469 9.817 1.415
209 HB THR 27 HB THR 27 15.093 7.128 2.716
210 HG1 THR 27 1HG THR 27 14.303 9.705 3.608
211 HG21 THR 27 3HG2 THR 27 16.777 9.536 3.464
212 HG22 THR 27 1HG2 THR 27 17.368 8.067 2.690
213 HG23 THR 27 2HG2 THR 27 16.725 8.000 4.329
214 H TRP 28 H TRP 28 14.061 7.320 -0.087
215 HA TRP 28 HA TRP 28 16.543 6.083 -1.043
216 HB2 TRP 28 2HB TRP 28 13.679 5.167 -1.478
217 HB3 TRP 28 1HB TRP 28 15.128 4.273 -1.928
218 HD1 TRP 28 HD TRP 28 12.934 5.124 1.040
219 HE1 TRP 28 1HE TRP 28 13.672 3.771 3.076
220 HE3 TRP 28 3HE TRP 28 17.206 3.086 -0.884
221 HZ2 TRP 28 2HZ TRP 28 15.793 2.022 3.771
222 HZ3 TRP 28 3HZ TRP 28 18.527 1.572 0.533
223 HH2 TRP 28 HH TRP 28 17.836 1.051 2.811
224 H SER 29 H SER 29 17.349 6.847 -2.875
225 HA SER 29 HA SER 29 15.522 7.565 -5.003
226 HB2 SER 29 2HB SER 29 17.657 9.438 -3.965
227 HB3 SER 29 1HB SER 29 16.618 9.737 -5.361
228 HG SER 29 HG SER 29 15.086 9.080 -3.327
229 HN1 NH2 30 HT1 SER 29 16.441 5.545 -5.704
230 HN2 NH2 30 HT2 SER 29 17.973 5.508 -6.494
231 HA PCA 1 HA PCA 1 -14.309 4.103 -3.855
232 HB2 PCA 1 2HB PCA 1 -14.965 1.958 -5.602
233 HB3 PCA 1 1HB PCA 1 -16.119 2.906 -4.623
234 HG2 PCA 1 2HG PCA 1 -15.706 2.969 -7.503
235 HG3 PCA 1 1HG PCA 1 -16.920 3.875 -6.536
236 H LEU 2 H LEU 2 -12.191 4.813 -5.567
237 HA LEU 2 HA LEU 2 -10.742 2.449 -6.337
238 HB2 LEU 2 2HB LEU 2 -9.690 5.262 -6.110
239 HB3 LEU 2 1HB LEU 2 -8.897 3.918 -6.911
240 HG LEU 2 HG LEU 2 -11.491 5.187 -7.779
241 HD11 LEU 2 1HD1 LEU 2 -9.591 6.634 -8.169
242 HD12 LEU 2 2HD1 LEU 2 -10.199 5.985 -9.693
243 HD13 LEU 2 3HD1 LEU 2 -8.734 5.321 -8.970
244 HD21 LEU 2 3HD2 LEU 2 -11.243 3.786 -9.787
245 HD22 LEU 2 1HD2 LEU 2 -11.446 2.815 -8.328
246 HD23 LEU 2 2HD2 LEU 2 -9.849 2.997 -9.050
247 H TYR 3 H TYR 3 -10.672 4.541 -3.563
248 HA TYR 3 HA TYR 3 -8.360 3.388 -2.349
249 HB2 TYR 3 2HB TYR 3 -10.698 4.885 -1.219
250 HB3 TYR 3 1HB TYR 3 -9.443 4.234 -0.194
251 HD1 TYR 3 2HD TYR 3 -7.015 5.032 -0.738
252 HD2 TYR 3 1HD TYR 3 -10.506 6.996 -2.155
253 HE1 TYR 3 2HE TYR 3 -5.706 7.079 -1.121
254 HE2 TYR 3 1HE TYR 3 -9.208 9.038 -2.541
255 HH TYR 3 HH TYR 3 -7.252 10.058 -1.844
256 H SER 4 H SER 4 -11.787 2.896 -1.961
257 HA SER 4 HA SER 4 -11.855 0.787 -0.211
258 HB2 SER 4 2HB SER 4 -13.651 1.179 -2.591
259 HB3 SER 4 1HB SER 4 -14.058 0.431 -1.041
260 HG SER 4 HG SER 4 -14.787 2.548 -1.184
261 H ALA 5 H ALA 5 -11.473 0.774 -3.746
262 HA ALA 5 HA ALA 5 -11.474 -1.960 -4.205
263 HB1 ALA 5 1HB ALA 5 -10.259 -1.452 -6.270
264 HB2 ALA 5 2HB ALA 5 -9.876 0.155 -5.656
265 HB3 ALA 5 3HB ALA 5 -11.549 -0.278 -6.004
266 H LEU 6 H LEU 6 -8.677 0.181 -3.682
267 HA LEU 6 HA LEU 6 -6.722 -1.828 -3.586
268 HB2 LEU 6 2HB LEU 6 -6.102 0.518 -3.752
269 HB3 LEU 6 1HB LEU 6 -6.804 0.850 -2.181
270 HG LEU 6 HG LEU 6 -5.076 -0.603 -1.141
271 HD11 LEU 6 1HD1 LEU 6 -3.107 -1.230 -2.429
272 HD12 LEU 6 2HD1 LEU 6 -3.901 -0.673 -3.903
273 HD13 LEU 6 3HD1 LEU 6 -4.566 -2.037 -3.003
274 HD21 LEU 6 3HD2 LEU 6 -3.209 0.971 -1.405
275 HD22 LEU 6 1HD2 LEU 6 -4.751 1.806 -1.213
276 HD23 LEU 6 2HD2 LEU 6 -4.013 1.670 -2.807
277 H ALA 7 H ALA 7 -8.673 -0.422 -1.012
278 HA ALA 7 HA ALA 7 -7.555 -1.715 1.168
279 HB1 ALA 7 1HB ALA 7 -10.454 -0.968 0.801
280 HB2 ALA 7 2HB ALA 7 -9.181 0.122 1.345
281 HB3 ALA 7 3HB ALA 7 -9.640 -1.261 2.338
282 H ASN 8 H ASN 8 -10.302 -2.750 -0.805
283 HA ASN 8 HA ASN 8 -10.638 -5.183 0.614
284 HB2 ASN 8 2HB ASN 8 -11.649 -4.355 -2.112
285 HB3 ASN 8 1HB ASN 8 -12.115 -5.846 -1.299
286 HD21 ASN 8 1HD2 ASN 8 -13.792 -3.586 -2.116
287 HD22 ASN 8 2HD2 ASN 8 -14.535 -3.019 -0.685
288 H LYS 9 H LYS 9 -9.073 -4.385 -2.431
289 HA LYS 9 HA LYS 9 -8.412 -7.013 -3.144
290 HB2 LYS 9 2HB LYS 9 -7.253 -4.352 -3.903
291 HB3 LYS 9 1HB LYS 9 -6.616 -5.827 -4.592
292 HG2 LYS 9 2HG LYS 9 -8.786 -6.326 -5.579
293 HG3 LYS 9 1HG LYS 9 -9.495 -4.930 -4.773
294 HD2 LYS 9 2HD LYS 9 -9.044 -4.470 -7.139
295 HD3 LYS 9 1HD LYS 9 -8.072 -3.439 -6.095
296 HE2 LYS 9 2HE LYS 9 -6.134 -4.818 -6.469
297 HE3 LYS 9 1HE LYS 9 -7.085 -5.982 -7.393
298 HZ1 LYS 9 3HZ LYS 9 -7.471 -4.302 -9.049
299 HZ2 LYS 9 1HZ LYS 9 -5.814 -4.466 -8.825
300 HZ3 LYS 9 2HZ LYS 9 -6.643 -3.148 -8.172
301 H CYS 10 H CYS 10 -6.523 -4.671 -1.292
302 HA CYS 10 HA CYS 10 -4.268 -6.464 -1.090
303 HB2 CYS 10 2HB CYS 10 -4.281 -3.887 -0.838
304 HB3 CYS 10 1HB CYS 10 -4.899 -4.197 0.771
305 H CYS 11 H CYS 11 -7.193 -5.932 0.715
306 HA CYS 11 HA CYS 11 -6.243 -7.275 3.028
307 HB2 CYS 11 2HB CYS 11 -8.149 -5.560 2.889
308 HB3 CYS 11 1HB CYS 11 -9.131 -6.887 2.293
309 H HIS 12 H HIS 12 -7.931 -8.217 0.083
310 HA HIS 12 HA HIS 12 -8.348 -10.882 1.141
311 HB2 HIS 12 2HB HIS 12 -9.077 -9.620 -1.490
312 HB3 HIS 12 1HB HIS 12 -9.263 -11.342 -1.197
313 HD1 HIS 12 1HD HIS 12 -11.490 -12.010 -0.234
314 HD2 HIS 12 2HD HIS 12 -10.622 -8.012 0.407
315 HE1 HIS 12 1HE HIS 12 -13.559 -11.012 0.783
316 H VAL 13 H VAL 13 -6.676 -9.573 -1.709
317 HA VAL 13 HA VAL 13 -5.128 -12.047 -1.706
318 HB VAL 13 HB VAL 13 -4.442 -11.436 -4.015
319 HG11 VAL 13 1HG1 VAL 13 -6.247 -13.044 -3.573
320 HG12 VAL 13 2HG1 VAL 13 -6.631 -12.103 -5.017
321 HG13 VAL 13 3HG1 VAL 13 -7.409 -11.722 -3.480
322 HG21 VAL 13 3HG2 VAL 13 -5.849 -9.842 -5.296
323 HG22 VAL 13 1HG2 VAL 13 -4.897 -9.050 -4.038
324 HG23 VAL 13 2HG2 VAL 13 -6.616 -9.347 -3.786
325 H GLY 14 H GLY 14 -4.673 -8.633 -2.102
326 HA2 GLY 14 2HA GLY 14 -2.823 -7.933 -0.425
327 HA3 GLY 14 1HA GLY 14 -1.836 -8.940 -1.446
328 H CYS 15 H CYS 15 -1.024 -6.511 -1.290
329 HA CYS 15 HA CYS 15 -1.798 -5.400 -3.855
330 HB2 CYS 15 2HB CYS 15 -1.728 -3.139 -2.900
331 HB3 CYS 15 1HB CYS 15 -3.074 -4.117 -2.346
332 H THR 16 H THR 16 -0.263 -4.100 -4.800
333 HA THR 16 HA THR 16 2.391 -4.756 -4.025
334 HB THR 16 HB THR 16 2.792 -3.413 -6.225
335 HG1 THR 16 1HG THR 16 0.574 -3.983 -7.399
336 HG21 THR 16 3HG2 THR 16 2.330 -5.419 -7.559
337 HG22 THR 16 1HG2 THR 16 1.319 -6.056 -6.261
338 HG23 THR 16 2HG2 THR 16 3.054 -5.851 -6.014
339 H LYS 17 H LYS 17 3.872 -3.238 -3.574
340 HA LYS 17 HA LYS 17 2.972 -1.109 -1.897
341 HB2 LYS 17 2HB LYS 17 5.123 -2.508 -1.958
342 HB3 LYS 17 1HB LYS 17 5.826 -1.234 -2.924
343 HG2 LYS 17 2HG LYS 17 6.440 -0.844 -0.664
344 HG3 LYS 17 1HG LYS 17 5.166 0.333 -1.013
345 HD2 LYS 17 2HD LYS 17 3.520 -1.037 0.110
346 HD3 LYS 17 1HD LYS 17 4.677 -2.350 0.293
347 HE2 LYS 17 2HE LYS 17 4.874 0.367 1.593
348 HE3 LYS 17 1HE LYS 17 4.323 -1.109 2.383
349 HZ1 LYS 17 3HZ LYS 17 6.556 -2.070 1.840
350 HZ2 LYS 17 1HZ LYS 17 6.594 -0.782 2.940
351 HZ3 LYS 17 2HZ LYS 17 7.032 -0.515 1.352
352 H ARG 18 H ARG 18 4.010 -1.171 -5.231
353 HA ARG 18 HA ARG 18 4.086 1.629 -5.689
354 HB2 ARG 18 2HB ARG 18 3.617 -0.742 -7.476
355 HB3 ARG 18 1HB ARG 18 3.502 0.894 -8.099
356 HG2 ARG 18 2HG ARG 18 5.934 -0.007 -6.627
357 HG3 ARG 18 1HG ARG 18 5.726 -0.386 -8.333
358 HD2 ARG 18 2HD ARG 18 5.580 2.410 -7.185
359 HD3 ARG 18 1HD ARG 18 7.024 1.715 -7.923
360 HE ARG 18 HE ARG 18 5.070 1.379 -9.778
361 HH11 ARG 18 1HH1 ARG 18 6.362 4.226 -8.112
362 HH12 ARG 18 2HH1 ARG 18 6.159 5.267 -9.443
363 HH21 ARG 18 1HH2 ARG 18 4.800 2.826 -11.594
364 HH22 ARG 18 2HH2 ARG 18 5.247 4.462 -11.446
365 H SER 19 H SER 19 1.514 -0.592 -5.267
366 HA SER 19 HA SER 19 -0.491 0.952 -6.578
367 HB2 SER 19 2HB SER 19 -0.638 -1.467 -6.460
368 HB3 SER 19 1HB SER 19 -0.630 -1.439 -4.716
369 HG SER 19 HG SER 19 -2.671 -1.625 -5.245
370 H LEU 20 H LEU 20 0.473 0.321 -3.200
371 HA LEU 20 HA LEU 20 -1.512 2.183 -2.201
372 HB2 LEU 20 2HB LEU 20 0.936 1.656 -0.500
373 HB3 LEU 20 1HB LEU 20 -0.667 2.051 -0.087
374 HG LEU 20 HG LEU 20 -1.394 -0.263 -0.838
375 HD11 LEU 20 1HD1 LEU 20 0.307 -1.978 -0.647
376 HD12 LEU 20 2HD1 LEU 20 1.539 -0.732 -0.476
377 HD13 LEU 20 3HD1 LEU 20 0.652 -0.894 -1.995
378 HD21 LEU 20 3HD2 LEU 20 -1.310 0.515 1.482
379 HD22 LEU 20 1HD2 LEU 20 0.397 0.059 1.529
380 HD23 LEU 20 2HD2 LEU 20 -0.840 -1.185 1.323
381 H ALA 21 H ALA 21 1.653 2.399 -3.298
382 HA ALA 21 HA ALA 21 2.224 5.036 -2.441
383 HB1 ALA 21 1HB ALA 21 3.947 3.496 -3.329
384 HB2 ALA 21 2HB ALA 21 3.955 5.059 -4.144
385 HB3 ALA 21 3HB ALA 21 3.227 3.659 -4.929
386 H ARG 22 H ARG 22 0.614 3.753 -5.260
387 HA ARG 22 HA ARG 22 0.323 6.117 -6.728
388 HB2 ARG 22 2HB ARG 22 -0.014 3.873 -7.650
389 HB3 ARG 22 1HB ARG 22 -1.421 3.654 -6.631
390 HG2 ARG 22 2HG ARG 22 -2.160 4.123 -8.858
391 HG3 ARG 22 1HG ARG 22 -2.510 5.498 -7.807
392 HD2 ARG 22 2HD ARG 22 -0.058 5.377 -9.565
393 HD3 ARG 22 1HD ARG 22 -1.589 6.037 -10.118
394 HE ARG 22 HE ARG 22 -1.373 7.642 -8.212
395 HH11 ARG 22 1HH1 ARG 22 1.572 6.204 -9.567
396 HH12 ARG 22 2HH1 ARG 22 2.523 7.573 -9.284
397 HH21 ARG 22 1HH2 ARG 22 -0.056 9.505 -7.815
398 HH22 ARG 22 2HH2 ARG 22 1.596 9.485 -8.248
399 H PHE 23 H PHE 23 -1.406 4.864 -4.052
400 HA PHE 23 HA PHE 23 -3.431 6.944 -4.333
401 HB2 PHE 23 2HB PHE 23 -3.383 4.518 -2.552
402 HB3 PHE 23 1HB PHE 23 -4.619 5.768 -2.448
403 HD1 PHE 23 2HD PHE 23 -6.169 6.129 -4.293
404 HD2 PHE 23 1HD PHE 23 -3.381 2.929 -4.345
405 HE1 PHE 23 2HE PHE 23 -7.436 5.067 -6.092
406 HE2 PHE 23 1HE PHE 23 -4.646 1.845 -6.152
407 HZ PHE 23 HZ PHE 23 -6.681 2.913 -7.032
408 H CYS 24 H CYS 24 -1.437 5.677 -1.811
409 HA CYS 24 HA CYS 24 -0.700 6.485 0.151
410 HB2 CYS 24 2HB CYS 24 0.885 7.527 -1.433
411 HB3 CYS 24 1HB CYS 24 -0.142 8.947 -1.539
412 HN1 NH2 25 HT1 CYS 24 -1.398 9.834 -0.336
413 HN2 NH2 25 HT2 CYS 24 -2.768 9.926 0.704
Start of MODEL 5
1 H1 ASP 1 1HT ASP 1 11.662 -3.068 1.766
2 H2 ASP 1 2HT ASP 1 12.433 -3.541 0.368
3 H3 ASP 1 3HT ASP 1 10.734 -3.371 0.387
4 HA ASP 1 HA ASP 1 10.997 -0.993 0.846
5 HB2 ASP 1 2HB ASP 1 13.106 0.007 0.331
6 HB3 ASP 1 1HB ASP 1 13.292 -1.032 1.770
7 H SER 2 H SER 2 12.190 -3.255 -1.464
8 HA SER 2 HA SER 2 12.417 -1.814 -3.763
9 HB2 SER 2 2HB SER 2 11.568 -3.990 -4.862
10 HB3 SER 2 1HB SER 2 13.010 -4.067 -3.847
11 HG SER 2 HG SER 2 10.382 -4.919 -3.351
12 H TRP 3 H TRP 3 11.143 -0.560 -4.799
13 HA TRP 3 HA TRP 3 8.424 -0.299 -3.905
14 HB2 TRP 3 2HB TRP 3 10.004 1.372 -5.853
15 HB3 TRP 3 1HB TRP 3 8.365 1.737 -5.320
16 HD1 TRP 3 HD TRP 3 11.831 2.575 -4.484
17 HE1 TRP 3 1HE TRP 3 11.994 3.567 -2.105
18 HE3 TRP 3 3HE TRP 3 7.235 1.269 -2.741
19 HZ2 TRP 3 2HZ TRP 3 10.384 3.776 0.187
20 HZ3 TRP 3 3HZ TRP 3 6.628 1.867 -0.481
21 HH2 TRP 3 HH TRP 3 8.160 3.102 0.976
22 H MET 4 H MET 4 10.016 -1.231 -6.866
23 HA MET 4 HA MET 4 7.583 -1.093 -8.378
24 HB2 MET 4 2HB MET 4 10.185 -2.406 -9.191
25 HB3 MET 4 1HB MET 4 8.871 -1.917 -10.249
26 HG2 MET 4 2HG MET 4 10.661 -0.103 -8.653
27 HG3 MET 4 1HG MET 4 10.649 -0.312 -10.403
28 HE1 MET 4 3HE MET 4 9.284 3.348 -9.743
29 HE2 MET 4 1HE MET 4 10.585 2.394 -10.457
30 HE3 MET 4 2HE MET 4 10.419 2.490 -8.704
31 H GLU 5 H GLU 5 9.375 -3.518 -6.693
32 HA GLU 5 HA GLU 5 7.070 -5.216 -7.086
33 HB2 GLU 5 2HB GLU 5 8.801 -6.020 -8.632
34 HB3 GLU 5 1HB GLU 5 9.895 -6.237 -7.269
35 HG2 GLU 5 2HG GLU 5 8.438 -7.894 -6.311
36 HG3 GLU 5 1HG GLU 5 7.262 -7.645 -7.601
37 H GLU 6 H GLU 6 6.268 -4.912 -5.138
38 HA GLU 6 HA GLU 6 7.352 -6.600 -3.126
39 HB2 GLU 6 2HB GLU 6 8.155 -4.039 -2.668
40 HB3 GLU 6 1HB GLU 6 6.465 -3.936 -2.200
41 HG2 GLU 6 2HG GLU 6 6.682 -5.649 -0.562
42 HG3 GLU 6 1HG GLU 6 8.367 -5.896 -0.998
43 H VAL 7 H VAL 7 5.682 -7.143 -1.747
44 HA VAL 7 HA VAL 7 3.036 -6.180 -2.334
45 HB VAL 7 HB VAL 7 3.324 -7.852 -4.108
46 HG11 VAL 7 1HG1 VAL 7 5.026 -9.255 -3.155
47 HG12 VAL 7 2HG1 VAL 7 3.639 -10.236 -3.629
48 HG13 VAL 7 3HG1 VAL 7 3.904 -9.841 -1.931
49 HG21 VAL 7 3HG2 VAL 7 1.468 -8.840 -1.940
50 HG22 VAL 7 1HG2 VAL 7 1.401 -9.318 -3.636
51 HG23 VAL 7 2HG2 VAL 7 1.089 -7.643 -3.176
52 H ILE 8 H ILE 8 1.721 -6.368 -0.643
53 HA ILE 8 HA ILE 8 2.488 -8.097 1.565
54 HB ILE 8 HB ILE 8 1.985 -6.380 3.237
55 HG12 ILE 8 2HG1 ILE 8 0.565 -4.856 1.819
56 HG13 ILE 8 1HG1 ILE 8 1.756 -4.014 2.791
57 HG21 ILE 8 1HG2 ILE 8 4.265 -6.766 2.791
58 HG22 ILE 8 2HG2 ILE 8 4.029 -5.042 3.083
59 HG23 ILE 8 3HG2 ILE 8 4.248 -5.636 1.438
60 HD11 ILE 8 3HD1 ILE 8 1.576 -3.017 0.601
61 HD12 ILE 8 1HD1 ILE 8 1.922 -4.568 -0.170
62 HD13 ILE 8 2HD1 ILE 8 3.164 -3.762 0.787
63 H LYS 9 H LYS 9 0.686 -8.209 3.181
64 HA LYS 9 HA LYS 9 -1.890 -7.827 1.851
65 HB2 LYS 9 2HB LYS 9 -1.114 -10.175 3.598
66 HB3 LYS 9 1HB LYS 9 -2.727 -9.856 2.981
67 HG2 LYS 9 2HG LYS 9 -1.885 -10.105 0.690
68 HG3 LYS 9 1HG LYS 9 -0.282 -10.453 1.335
69 HD2 LYS 9 2HD LYS 9 -1.414 -12.530 0.750
70 HD3 LYS 9 1HD LYS 9 -1.220 -12.431 2.500
71 HE2 LYS 9 2HE LYS 9 -3.543 -11.696 2.724
72 HE3 LYS 9 1HE LYS 9 -3.736 -11.744 0.971
73 HZ1 LYS 9 3HZ LYS 9 -3.401 -14.107 1.021
74 HZ2 LYS 9 1HZ LYS 9 -4.634 -13.703 2.090
75 HZ3 LYS 9 2HZ LYS 9 -3.098 -14.089 2.674
76 H LEU 10 H LEU 10 -2.113 -5.931 2.899
77 HA LEU 10 HA LEU 10 -2.571 -6.090 5.796
78 HB2 LEU 10 2HB LEU 10 -1.322 -3.907 4.180
79 HB3 LEU 10 1HB LEU 10 -2.248 -3.492 5.592
80 HG LEU 10 HG LEU 10 -0.783 -4.767 7.008
81 HD11 LEU 10 1HD1 LEU 10 -0.035 -6.496 5.441
82 HD12 LEU 10 2HD1 LEU 10 1.358 -5.676 6.156
83 HD13 LEU 10 3HD1 LEU 10 0.842 -5.278 4.516
84 HD21 LEU 10 3HD2 LEU 10 -0.265 -2.439 6.620
85 HD22 LEU 10 1HD2 LEU 10 0.722 -2.870 5.228
86 HD23 LEU 10 2HD2 LEU 10 1.217 -3.366 6.847
87 H CYS 11 H CYS 11 -3.963 -4.175 6.419
88 HA CYS 11 HA CYS 11 -6.060 -3.595 4.519
89 HB2 CYS 11 2HB CYS 11 -6.565 -5.838 5.157
90 HB3 CYS 11 1HB CYS 11 -6.637 -5.404 6.875
91 H GLY 12 H GLY 12 -7.726 -2.419 5.557
92 HA2 GLY 12 2HA GLY 12 -8.382 -0.428 6.639
93 HA3 GLY 12 1HA GLY 12 -7.936 -1.356 8.046
94 H ARG 13 H ARG 13 -6.894 -0.213 9.320
95 HA ARG 13 HA ARG 13 -5.551 2.206 8.729
96 HB2 ARG 13 2HB ARG 13 -4.886 2.301 11.038
97 HB3 ARG 13 1HB ARG 13 -6.532 1.696 10.960
98 HG2 ARG 13 2HG ARG 13 -5.789 -0.540 11.406
99 HG3 ARG 13 1HG ARG 13 -4.102 -0.046 11.280
100 HD2 ARG 13 2HD ARG 13 -4.482 1.497 13.199
101 HD3 ARG 13 1HD ARG 13 -6.094 0.815 13.359
102 HE ARG 13 HE ARG 13 -5.059 -1.319 13.811
103 HH11 ARG 13 1HH1 ARG 13 -2.964 1.531 14.125
104 HH12 ARG 13 2HH1 ARG 13 -1.940 0.825 15.286
105 HH21 ARG 13 1HH2 ARG 13 -3.649 -2.291 15.394
106 HH22 ARG 13 2HH2 ARG 13 -2.326 -1.412 16.003
107 H GLU 14 H GLU 14 -4.489 -1.070 8.695
108 HA GLU 14 HA GLU 14 -1.717 -0.565 9.129
109 HB2 GLU 14 2HB GLU 14 -3.172 -2.882 7.881
110 HB3 GLU 14 1HB GLU 14 -1.481 -2.884 8.348
111 HG2 GLU 14 2HG GLU 14 -2.114 -2.591 10.683
112 HG3 GLU 14 1HG GLU 14 -3.809 -2.477 10.224
113 H LEU 15 H LEU 15 -3.858 -0.826 6.413
114 HA LEU 15 HA LEU 15 -1.935 -0.647 4.318
115 HB2 LEU 15 2HB LEU 15 -4.720 0.506 4.402
116 HB3 LEU 15 1HB LEU 15 -3.727 0.405 2.969
117 HG LEU 15 HG LEU 15 -4.775 -1.934 4.531
118 HD11 LEU 15 1HD1 LEU 15 -6.534 -0.694 3.380
119 HD12 LEU 15 2HD1 LEU 15 -6.230 -2.242 2.587
120 HD13 LEU 15 3HD1 LEU 15 -5.596 -0.751 1.888
121 HD21 LEU 15 3HD2 LEU 15 -3.360 -1.819 1.876
122 HD22 LEU 15 1HD2 LEU 15 -4.005 -3.242 2.700
123 HD23 LEU 15 2HD2 LEU 15 -2.658 -2.367 3.412
124 H VAL 16 H VAL 16 -3.689 1.720 6.192
125 HA VAL 16 HA VAL 16 -2.623 4.024 4.920
126 HB VAL 16 HB VAL 16 -3.557 3.836 7.799
127 HG11 VAL 16 1HG1 VAL 16 -2.467 5.937 7.265
128 HG12 VAL 16 2HG1 VAL 16 -4.196 6.185 7.513
129 HG13 VAL 16 3HG1 VAL 16 -3.534 6.158 5.879
130 HG21 VAL 16 3HG2 VAL 16 -5.203 4.244 5.310
131 HG22 VAL 16 1HG2 VAL 16 -5.797 4.444 6.959
132 HG23 VAL 16 2HG2 VAL 16 -5.260 2.862 6.401
133 H ARG 17 H ARG 17 -1.596 2.179 7.721
134 HA ARG 17 HA ARG 17 0.614 3.616 8.582
135 HB2 ARG 17 2HB ARG 17 0.147 0.646 8.447
136 HB3 ARG 17 1HB ARG 17 1.588 1.301 9.175
137 HG2 ARG 17 2HG ARG 17 -1.216 1.914 10.101
138 HG3 ARG 17 1HG ARG 17 -0.201 0.640 10.775
139 HD2 ARG 17 2HD ARG 17 -0.029 2.534 12.208
140 HD3 ARG 17 1HD ARG 17 1.491 2.395 11.338
141 HE ARG 17 HE ARG 17 -0.644 4.294 10.667
142 HH11 ARG 17 1HH1 ARG 17 2.819 3.498 10.806
143 HH12 ARG 17 2HH1 ARG 17 3.362 5.060 10.497
144 HH21 ARG 17 1HH2 ARG 17 0.099 6.483 10.226
145 HH22 ARG 17 2HH2 ARG 17 1.761 6.825 10.176
146 H ALA 18 H ALA 18 0.466 1.141 6.150
147 HA ALA 18 HA ALA 18 3.175 1.276 5.374
148 HB1 ALA 18 1HB ALA 18 1.783 -0.688 4.918
149 HB2 ALA 18 2HB ALA 18 2.514 -0.066 3.436
150 HB3 ALA 18 3HB ALA 18 0.817 0.260 3.787
151 H GLN 19 H GLN 19 0.246 2.611 3.927
152 HA GLN 19 HA GLN 19 1.190 3.828 1.680
153 HB2 GLN 19 2HB GLN 19 -0.936 4.499 3.623
154 HB3 GLN 19 1HB GLN 19 -0.739 5.530 2.239
155 HG2 GLN 19 2HG GLN 19 -1.097 3.606 0.786
156 HG3 GLN 19 1HG GLN 19 -1.213 2.545 2.196
157 HE21 GLN 19 1HE2 GLN 19 -3.132 2.877 0.145
158 HE22 GLN 19 2HE2 GLN 19 -4.558 3.518 0.914
159 H ILE 20 H ILE 20 0.711 5.353 4.839
160 HA ILE 20 HA ILE 20 1.874 7.841 4.289
161 HB ILE 20 HB ILE 20 1.577 6.436 6.958
162 HG12 ILE 20 2HG1 ILE 20 -0.077 8.591 5.631
163 HG13 ILE 20 1HG1 ILE 20 -0.510 6.890 5.737
164 HG21 ILE 20 1HG2 ILE 20 1.852 8.645 8.013
165 HG22 ILE 20 2HG2 ILE 20 2.231 9.349 6.442
166 HG23 ILE 20 3HG2 ILE 20 3.313 8.154 7.156
167 HD11 ILE 20 3HD1 ILE 20 -0.601 7.073 8.162
168 HD12 ILE 20 1HD1 ILE 20 -1.692 8.220 7.380
169 HD13 ILE 20 2HD1 ILE 20 -0.151 8.773 8.040
170 H ALA 21 H ALA 21 3.366 4.882 5.494
171 HA ALA 21 HA ALA 21 5.912 5.968 6.023
172 HB1 ALA 21 1HB ALA 21 5.211 3.773 6.854
173 HB2 ALA 21 2HB ALA 21 6.709 3.654 5.927
174 HB3 ALA 21 3HB ALA 21 5.181 3.158 5.202
175 H ILE 22 H ILE 22 4.403 4.705 3.155
176 HA ILE 22 HA ILE 22 6.682 4.791 1.450
177 HB ILE 22 HB ILE 22 3.760 5.030 0.698
178 HG12 ILE 22 2HG1 ILE 22 5.504 2.556 0.871
179 HG13 ILE 22 1HG1 ILE 22 4.205 2.982 1.959
180 HG21 ILE 22 1HG2 ILE 22 5.234 5.767 -1.079
181 HG22 ILE 22 2HG2 ILE 22 4.473 4.233 -1.502
182 HG23 ILE 22 3HG2 ILE 22 6.153 4.263 -0.968
183 HD11 ILE 22 3HD1 ILE 22 3.472 1.299 0.374
184 HD12 ILE 22 1HD1 ILE 22 3.871 2.374 -0.967
185 HD13 ILE 22 2HD1 ILE 22 2.584 2.807 0.156
186 H CYS 23 H CYS 23 3.988 6.984 2.069
187 HA CYS 23 HA CYS 23 4.798 8.853 0.089
188 HB2 CYS 23 2HB CYS 23 2.749 8.824 2.220
189 HB3 CYS 23 1HB CYS 23 3.041 10.259 1.242
190 H GLY 24 H GLY 24 5.408 8.583 3.408
191 HA2 GLY 24 2HA GLY 24 6.563 11.239 3.585
192 HA3 GLY 24 1HA GLY 24 6.629 10.024 4.852
193 H MET 25 H MET 25 7.570 8.420 2.224
194 HA MET 25 HA MET 25 10.379 9.242 2.333
195 HB2 MET 25 2HB MET 25 9.303 6.422 2.625
196 HB3 MET 25 1HB MET 25 10.991 6.790 2.307
197 HG2 MET 25 2HG MET 25 11.165 7.953 4.420
198 HG3 MET 25 1HG MET 25 9.449 7.687 4.729
199 HE1 MET 25 3HE MET 25 10.107 6.695 7.133
200 HE2 MET 25 1HE MET 25 11.811 6.971 6.765
201 HE3 MET 25 2HE MET 25 11.279 5.396 7.354
202 H SER 26 H SER 26 8.391 9.841 0.428
203 HA SER 26 HA SER 26 8.650 7.968 -1.708
204 HB2 SER 26 2HB SER 26 7.171 10.589 -1.534
205 HB3 SER 26 1HB SER 26 7.246 9.613 -2.998
206 HG SER 26 HG SER 26 6.555 8.217 -0.723
207 H THR 27 H THR 27 10.853 8.141 -1.662
208 HA THR 27 HA THR 27 12.141 10.346 -2.996
209 HB THR 27 HB THR 27 13.185 7.520 -2.722
210 HG1 THR 27 1HG THR 27 12.534 9.255 -0.796
211 HG21 THR 27 3HG2 THR 27 14.498 9.000 -4.204
212 HG22 THR 27 1HG2 THR 27 15.395 8.611 -2.735
213 HG23 THR 27 2HG2 THR 27 14.620 10.185 -2.902
214 H TRP 28 H TRP 28 10.695 7.509 -3.747
215 HA TRP 28 HA TRP 28 11.190 7.805 -6.635
216 HB2 TRP 28 2HB TRP 28 10.501 5.239 -5.178
217 HB3 TRP 28 1HB TRP 28 10.819 5.395 -6.900
218 HD1 TRP 28 HD TRP 28 12.512 4.738 -3.656
219 HE1 TRP 28 1HE TRP 28 15.045 4.562 -3.974
220 HE3 TRP 28 3HE TRP 28 12.837 6.590 -8.411
221 HZ2 TRP 28 2HZ TRP 28 16.953 5.161 -5.980
222 HZ3 TRP 28 3HZ TRP 28 15.060 6.761 -9.453
223 HH2 TRP 28 HH TRP 28 17.071 6.063 -8.263
224 H SER 29 H SER 29 9.484 8.973 -7.253
225 HA SER 29 HA SER 29 6.824 7.898 -6.668
226 HB2 SER 29 2HB SER 29 7.626 10.799 -7.013
227 HB3 SER 29 1HB SER 29 5.974 10.220 -6.789
228 HG SER 29 HG SER 29 6.846 9.212 -4.837
229 HN1 NH2 30 HT1 SER 29 6.814 6.687 -8.530
230 HN2 NH2 30 HT2 SER 29 6.785 7.362 -10.119
231 HA PCA 1 HA PCA 1 -14.132 4.329 -5.327
232 HB2 PCA 1 2HB PCA 1 -15.096 1.718 -5.967
233 HB3 PCA 1 1HB PCA 1 -16.077 3.100 -5.400
234 HG2 PCA 1 2HG PCA 1 -16.057 1.921 -8.019
235 HG3 PCA 1 1HG PCA 1 -16.933 3.404 -7.505
236 H LEU 2 H LEU 2 -12.017 4.121 -7.136
237 HA LEU 2 HA LEU 2 -10.758 1.474 -6.912
238 HB2 LEU 2 2HB LEU 2 -10.490 3.004 -8.929
239 HB3 LEU 2 1HB LEU 2 -9.523 4.028 -7.904
240 HG LEU 2 HG LEU 2 -7.813 2.316 -7.709
241 HD11 LEU 2 1HD1 LEU 2 -9.660 0.618 -9.395
242 HD12 LEU 2 2HD1 LEU 2 -9.201 0.313 -7.715
243 HD13 LEU 2 3HD1 LEU 2 -7.992 0.223 -8.991
244 HD21 LEU 2 3HD2 LEU 2 -7.751 3.815 -9.637
245 HD22 LEU 2 1HD2 LEU 2 -8.729 2.673 -10.558
246 HD23 LEU 2 2HD2 LEU 2 -7.104 2.222 -10.039
247 H TYR 3 H TYR 3 -10.736 4.245 -5.020
248 HA TYR 3 HA TYR 3 -8.369 3.332 -3.758
249 HB2 TYR 3 2HB TYR 3 -9.043 5.710 -3.656
250 HB3 TYR 3 1HB TYR 3 -10.399 5.249 -2.608
251 HD1 TYR 3 2HD TYR 3 -6.831 4.628 -2.979
252 HD2 TYR 3 1HD TYR 3 -10.042 5.353 -0.337
253 HE1 TYR 3 2HE TYR 3 -5.314 4.477 -1.205
254 HE2 TYR 3 1HE TYR 3 -8.528 5.207 1.560
255 HH TYR 3 HH TYR 3 -5.196 5.385 1.220
256 H SER 4 H SER 4 -11.801 3.126 -3.099
257 HA SER 4 HA SER 4 -11.625 1.627 -0.725
258 HB2 SER 4 2HB SER 4 -13.691 2.810 -1.695
259 HB3 SER 4 1HB SER 4 -13.849 1.432 -2.776
260 HG SER 4 HG SER 4 -14.625 0.294 -1.230
261 H ALA 5 H ALA 5 -11.509 0.815 -4.114
262 HA ALA 5 HA ALA 5 -11.685 -1.972 -3.927
263 HB1 ALA 5 1HB ALA 5 -11.946 -0.739 -6.043
264 HB2 ALA 5 2HB ALA 5 -10.739 -2.022 -6.164
265 HB3 ALA 5 3HB ALA 5 -10.227 -0.344 -5.996
266 H LEU 6 H LEU 6 -8.790 0.161 -4.078
267 HA LEU 6 HA LEU 6 -6.809 -1.792 -3.896
268 HB2 LEU 6 2HB LEU 6 -6.234 0.559 -4.239
269 HB3 LEU 6 1HB LEU 6 -6.832 0.968 -2.642
270 HG LEU 6 HG LEU 6 -5.035 -0.509 -1.684
271 HD11 LEU 6 1HD1 LEU 6 -3.103 -1.040 -3.070
272 HD12 LEU 6 2HD1 LEU 6 -3.989 -0.496 -4.495
273 HD13 LEU 6 3HD1 LEU 6 -4.561 -1.889 -3.578
274 HD21 LEU 6 3HD2 LEU 6 -4.055 1.832 -3.322
275 HD22 LEU 6 1HD2 LEU 6 -3.244 1.122 -1.929
276 HD23 LEU 6 2HD2 LEU 6 -4.793 1.935 -1.723
277 H ALA 7 H ALA 7 -8.573 -0.196 -1.345
278 HA ALA 7 HA ALA 7 -7.375 -1.329 0.888
279 HB1 ALA 7 1HB ALA 7 -8.911 0.560 0.988
280 HB2 ALA 7 2HB ALA 7 -9.475 -0.740 2.040
281 HB3 ALA 7 3HB ALA 7 -10.238 -0.479 0.476
282 H ASN 8 H ASN 8 -10.223 -2.357 -0.897
283 HA ASN 8 HA ASN 8 -10.845 -4.691 0.536
284 HB2 ASN 8 2HB ASN 8 -12.414 -3.599 -1.008
285 HB3 ASN 8 1HB ASN 8 -11.364 -3.987 -2.360
286 HD21 ASN 8 1HD2 ASN 8 -12.931 -5.105 -3.410
287 HD22 ASN 8 2HD2 ASN 8 -13.531 -6.634 -2.901
288 H LYS 9 H LYS 9 -8.993 -4.211 -2.398
289 HA LYS 9 HA LYS 9 -8.392 -6.878 -3.019
290 HB2 LYS 9 2HB LYS 9 -6.956 -4.311 -3.641
291 HB3 LYS 9 1HB LYS 9 -6.507 -5.851 -4.344
292 HG2 LYS 9 2HG LYS 9 -8.580 -6.009 -5.507
293 HG3 LYS 9 1HG LYS 9 -9.247 -4.648 -4.610
294 HD2 LYS 9 2HD LYS 9 -8.582 -4.013 -6.907
295 HD3 LYS 9 1HD LYS 9 -7.694 -3.124 -5.680
296 HE2 LYS 9 2HE LYS 9 -6.267 -3.859 -7.543
297 HE3 LYS 9 1HE LYS 9 -5.757 -4.540 -6.001
298 HZ1 LYS 9 3HZ LYS 9 -5.709 -6.143 -7.788
299 HZ2 LYS 9 1HZ LYS 9 -7.357 -5.962 -8.069
300 HZ3 LYS 9 2HZ LYS 9 -6.802 -6.618 -6.620
301 H CYS 10 H CYS 10 -6.433 -4.560 -1.195
302 HA CYS 10 HA CYS 10 -4.305 -6.455 -0.861
303 HB2 CYS 10 2HB CYS 10 -4.239 -3.862 -0.738
304 HB3 CYS 10 1HB CYS 10 -4.804 -4.086 0.906
305 H CYS 11 H CYS 11 -7.219 -5.732 0.816
306 HA CYS 11 HA CYS 11 -6.529 -6.945 3.295
307 HB2 CYS 11 2HB CYS 11 -8.258 -5.142 2.811
308 HB3 CYS 11 1HB CYS 11 -9.281 -6.406 2.172
309 H HIS 12 H HIS 12 -7.776 -8.028 0.222
310 HA HIS 12 HA HIS 12 -8.419 -10.632 1.391
311 HB2 HIS 12 2HB HIS 12 -9.213 -9.383 -1.210
312 HB3 HIS 12 1HB HIS 12 -9.432 -11.101 -0.916
313 HD1 HIS 12 1HD HIS 12 -11.737 -11.621 0.019
314 HD2 HIS 12 2HD HIS 12 -10.433 -7.818 0.955
315 HE1 HIS 12 1HE HIS 12 -13.616 -10.559 1.310
316 H VAL 13 H VAL 13 -6.757 -9.438 -1.490
317 HA VAL 13 HA VAL 13 -5.300 -11.973 -1.490
318 HB VAL 13 HB VAL 13 -4.666 -11.417 -3.821
319 HG11 VAL 13 1HG1 VAL 13 -7.627 -11.635 -3.189
320 HG12 VAL 13 2HG1 VAL 13 -6.506 -12.992 -3.324
321 HG13 VAL 13 3HG1 VAL 13 -6.929 -12.044 -4.756
322 HG21 VAL 13 3HG2 VAL 13 -5.054 -9.038 -3.857
323 HG22 VAL 13 1HG2 VAL 13 -6.773 -9.276 -3.548
324 HG23 VAL 13 2HG2 VAL 13 -6.073 -9.805 -5.078
325 H GLY 14 H GLY 14 -4.787 -8.574 -1.914
326 HA2 GLY 14 2HA GLY 14 -2.866 -7.886 -0.314
327 HA3 GLY 14 1HA GLY 14 -1.914 -8.919 -1.347
328 H CYS 15 H CYS 15 -0.988 -6.515 -1.299
329 HA CYS 15 HA CYS 15 -1.831 -5.384 -3.847
330 HB2 CYS 15 2HB CYS 15 -1.704 -3.119 -2.888
331 HB3 CYS 15 1HB CYS 15 -3.058 -4.073 -2.317
332 H THR 16 H THR 16 -0.267 -4.030 -4.833
333 HA THR 16 HA THR 16 2.400 -4.704 -4.056
334 HB THR 16 HB THR 16 2.897 -3.495 -6.284
335 HG1 THR 16 1HG THR 16 0.800 -3.784 -7.610
336 HG21 THR 16 3HG2 THR 16 2.968 -5.934 -6.047
337 HG22 THR 16 1HG2 THR 16 2.277 -5.473 -7.602
338 HG23 THR 16 2HG2 THR 16 1.222 -6.012 -6.295
339 H LYS 17 H LYS 17 3.891 -3.192 -3.708
340 HA LYS 17 HA LYS 17 3.113 -1.079 -1.932
341 HB2 LYS 17 2HB LYS 17 5.238 -2.539 -2.187
342 HB3 LYS 17 1HB LYS 17 5.865 -1.246 -3.176
343 HG2 LYS 17 2HG LYS 17 6.656 -1.030 -0.973
344 HG3 LYS 17 1HG LYS 17 5.476 0.280 -1.223
345 HD2 LYS 17 2HD LYS 17 3.795 -0.990 -0.005
346 HD3 LYS 17 1HD LYS 17 4.884 -2.372 0.106
347 HE2 LYS 17 2HE LYS 17 5.310 0.328 1.377
348 HE3 LYS 17 1HE LYS 17 4.765 -1.128 2.205
349 HZ1 LYS 17 3HZ LYS 17 6.891 -2.180 1.487
350 HZ2 LYS 17 1HZ LYS 17 7.076 -0.899 2.580
351 HZ3 LYS 17 2HZ LYS 17 7.411 -0.667 0.948
352 H ARG 18 H ARG 18 4.230 -0.789 -5.304
353 HA ARG 18 HA ARG 18 3.965 2.038 -5.208
354 HB2 ARG 18 2HB ARG 18 4.129 0.129 -7.514
355 HB3 ARG 18 1HB ARG 18 3.785 1.826 -7.772
356 HG2 ARG 18 2HG ARG 18 6.219 0.812 -6.333
357 HG3 ARG 18 1HG ARG 18 6.183 1.218 -8.050
358 HD2 ARG 18 2HD ARG 18 5.654 3.102 -5.738
359 HD3 ARG 18 1HD ARG 18 7.067 3.091 -6.791
360 HE ARG 18 HE ARG 18 5.085 3.354 -8.541
361 HH11 ARG 18 1HH1 ARG 18 5.970 5.265 -5.666
362 HH12 ARG 18 2HH1 ARG 18 5.108 6.637 -6.139
363 HH21 ARG 18 1HH2 ARG 18 3.940 5.290 -9.225
364 HH22 ARG 18 2HH2 ARG 18 3.955 6.664 -8.209
365 H SER 19 H SER 19 1.674 -0.428 -5.424
366 HA SER 19 HA SER 19 -0.342 1.068 -6.762
367 HB2 SER 19 2HB SER 19 -0.257 -1.419 -6.755
368 HB3 SER 19 1HB SER 19 -0.585 -1.439 -5.040
369 HG SER 19 HG SER 19 -2.277 -0.415 -7.086
370 H LEU 20 H LEU 20 0.558 0.385 -3.395
371 HA LEU 20 HA LEU 20 -1.594 2.029 -2.407
372 HB2 LEU 20 2HB LEU 20 0.864 1.717 -0.626
373 HB3 LEU 20 1HB LEU 20 -0.741 2.005 -0.250
374 HG LEU 20 HG LEU 20 -1.365 -0.338 -0.923
375 HD11 LEU 20 1HD1 LEU 20 0.388 -1.970 -0.809
376 HD12 LEU 20 2HD1 LEU 20 1.589 -0.694 -0.627
377 HD13 LEU 20 3HD1 LEU 20 0.691 -0.855 -2.141
378 HD21 LEU 20 3HD2 LEU 20 0.477 0.118 1.401
379 HD22 LEU 20 1HD2 LEU 20 -0.674 -1.205 1.240
380 HD23 LEU 20 2HD2 LEU 20 -1.260 0.456 1.380
381 H ALA 21 H ALA 21 1.629 2.466 -3.267
382 HA ALA 21 HA ALA 21 2.110 5.066 -2.306
383 HB1 ALA 21 1HB ALA 21 3.225 3.968 -4.864
384 HB2 ALA 21 2HB ALA 21 3.815 3.522 -3.273
385 HB3 ALA 21 3HB ALA 21 3.947 5.197 -3.826
386 H ARG 22 H ARG 22 0.485 4.062 -5.251
387 HA ARG 22 HA ARG 22 0.482 6.745 -6.310
388 HB2 ARG 22 2HB ARG 22 -0.752 5.855 -8.215
389 HB3 ARG 22 1HB ARG 22 0.658 4.873 -7.859
390 HG2 ARG 22 2HG ARG 22 -0.732 3.198 -6.824
391 HG3 ARG 22 1HG ARG 22 -2.159 4.210 -7.049
392 HD2 ARG 22 2HD ARG 22 -0.435 3.089 -9.249
393 HD3 ARG 22 1HD ARG 22 -2.014 2.468 -8.757
394 HE ARG 22 HE ARG 22 -2.315 5.159 -9.347
395 HH11 ARG 22 1HH1 ARG 22 -1.556 2.173 -11.053
396 HH12 ARG 22 2HH1 ARG 22 -2.125 2.703 -12.567
397 HH21 ARG 22 1HH2 ARG 22 -3.119 5.927 -11.403
398 HH22 ARG 22 2HH2 ARG 22 -3.061 4.923 -12.772
399 H PHE 23 H PHE 23 -1.365 5.285 -4.029
400 HA PHE 23 HA PHE 23 -3.546 7.182 -4.557
401 HB2 PHE 23 2HB PHE 23 -3.744 4.488 -3.200
402 HB3 PHE 23 1HB PHE 23 -5.029 5.691 -3.201
403 HD1 PHE 23 2HD PHE 23 -5.956 6.438 -5.439
404 HD2 PHE 23 1HD PHE 23 -3.525 2.985 -4.963
405 HE1 PHE 23 2HE PHE 23 -6.761 5.576 -7.594
406 HE2 PHE 23 1HE PHE 23 -4.323 2.118 -7.112
407 HZ PHE 23 HZ PHE 23 -5.939 3.412 -8.430
408 H CYS 24 H CYS 24 -2.309 5.322 -1.934
409 HA CYS 24 HA CYS 24 -1.655 5.793 0.174
410 HB2 CYS 24 2HB CYS 24 -0.035 7.047 -1.268
411 HB3 CYS 24 1HB CYS 24 -0.999 8.483 -1.040
412 HN1 NH2 25 HT1 CYS 24 -2.180 9.165 0.268
413 HN2 NH2 25 HT2 CYS 24 -3.739 9.155 1.013
Start of MODEL 6
1 H1 ASP 1 1HT ASP 1 11.097 -5.186 2.502
2 H2 ASP 1 2HT ASP 1 11.797 -5.313 0.970
3 H3 ASP 1 3HT ASP 1 10.451 -4.347 1.211
4 HA ASP 1 HA ASP 1 11.595 -2.799 2.563
5 HB2 ASP 1 2HB ASP 1 13.167 -4.574 3.517
6 HB3 ASP 1 1HB ASP 1 14.085 -4.427 2.032
7 H SER 2 H SER 2 12.978 -4.468 -0.206
8 HA SER 2 HA SER 2 14.050 -2.153 -1.404
9 HB2 SER 2 2HB SER 2 13.131 -4.623 -2.787
10 HB3 SER 2 1HB SER 2 14.464 -3.576 -3.251
11 HG SER 2 HG SER 2 15.347 -4.162 -1.083
12 H TRP 3 H TRP 3 13.149 -0.842 -2.807
13 HA TRP 3 HA TRP 3 10.277 -0.602 -2.515
14 HB2 TRP 3 2HB TRP 3 12.254 1.445 -3.498
15 HB3 TRP 3 1HB TRP 3 10.534 1.731 -3.234
16 HD1 TRP 3 HD TRP 3 13.753 1.964 -1.521
17 HE1 TRP 3 1HE TRP 3 13.447 2.298 1.004
18 HE3 TRP 3 3HE TRP 3 8.788 0.773 -1.158
19 HZ2 TRP 3 2HZ TRP 3 11.352 2.061 2.911
20 HZ3 TRP 3 3HZ TRP 3 7.745 0.790 1.018
21 HH2 TRP 3 HH TRP 3 8.984 1.445 3.032
22 H MET 4 H MET 4 12.226 -1.791 -4.833
23 HA MET 4 HA MET 4 10.988 -0.778 -7.152
24 HB2 MET 4 2HB MET 4 13.169 -1.916 -7.223
25 HB3 MET 4 1HB MET 4 12.385 -3.428 -6.796
26 HG2 MET 4 2HG MET 4 12.843 -3.339 -9.172
27 HG3 MET 4 1HG MET 4 11.108 -3.372 -8.858
28 HE1 MET 4 3HE MET 4 13.436 0.410 -10.160
29 HE2 MET 4 1HE MET 4 14.167 -1.186 -9.994
30 HE3 MET 4 2HE MET 4 13.619 -0.314 -8.562
31 H GLU 5 H GLU 5 10.261 -3.569 -5.136
32 HA GLU 5 HA GLU 5 7.829 -3.908 -6.769
33 HB2 GLU 5 2HB GLU 5 9.376 -6.056 -5.314
34 HB3 GLU 5 1HB GLU 5 7.804 -6.298 -6.050
35 HG2 GLU 5 2HG GLU 5 10.240 -5.405 -7.561
36 HG3 GLU 5 1HG GLU 5 9.751 -7.089 -7.389
37 H GLU 6 H GLU 6 8.492 -5.524 -3.745
38 HA GLU 6 HA GLU 6 7.478 -5.658 -1.762
39 HB2 GLU 6 2HB GLU 6 6.675 -2.834 -2.345
40 HB3 GLU 6 1HB GLU 6 6.371 -3.628 -0.809
41 HG2 GLU 6 2HG GLU 6 9.051 -3.111 -2.048
42 HG3 GLU 6 1HG GLU 6 8.312 -2.171 -0.752
43 H VAL 7 H VAL 7 5.805 -6.824 -1.326
44 HA VAL 7 HA VAL 7 3.217 -6.009 -2.357
45 HB VAL 7 HB VAL 7 3.881 -7.813 -3.884
46 HG11 VAL 7 1HG1 VAL 7 4.290 -10.100 -3.125
47 HG12 VAL 7 2HG1 VAL 7 4.237 -9.546 -1.450
48 HG13 VAL 7 3HG1 VAL 7 5.509 -8.973 -2.529
49 HG21 VAL 7 3HG2 VAL 7 1.510 -7.705 -3.314
50 HG22 VAL 7 1HG2 VAL 7 1.769 -8.751 -1.925
51 HG23 VAL 7 2HG2 VAL 7 1.990 -9.382 -3.553
52 H ILE 8 H ILE 8 1.737 -5.897 -0.880
53 HA ILE 8 HA ILE 8 2.355 -7.221 1.657
54 HB ILE 8 HB ILE 8 1.429 -5.369 2.900
55 HG12 ILE 8 2HG1 ILE 8 1.026 -4.071 0.215
56 HG13 ILE 8 1HG1 ILE 8 -0.238 -4.637 1.277
57 HG21 ILE 8 1HG2 ILE 8 3.505 -4.437 0.923
58 HG22 ILE 8 2HG2 ILE 8 3.804 -5.276 2.445
59 HG23 ILE 8 3HG2 ILE 8 3.127 -3.647 2.454
60 HD11 ILE 8 3HD1 ILE 8 1.649 -2.374 1.903
61 HD12 ILE 8 1HD1 ILE 8 0.367 -2.972 2.955
62 HD13 ILE 8 2HD1 ILE 8 -0.038 -2.214 1.415
63 H LYS 9 H LYS 9 0.536 -7.464 3.000
64 HA LYS 9 HA LYS 9 -2.042 -7.727 1.666
65 HB2 LYS 9 2HB LYS 9 -0.690 -9.997 3.157
66 HB3 LYS 9 1HB LYS 9 -2.370 -10.001 2.639
67 HG2 LYS 9 2HG LYS 9 -1.671 -9.882 0.314
68 HG3 LYS 9 1HG LYS 9 0.020 -9.826 0.808
69 HD2 LYS 9 2HD LYS 9 -0.571 -12.050 0.090
70 HD3 LYS 9 1HD LYS 9 -0.243 -12.060 1.824
71 HE2 LYS 9 2HE LYS 9 -2.665 -11.991 2.256
72 HE3 LYS 9 1HE LYS 9 -2.966 -11.992 0.519
73 HZ1 LYS 9 3HZ LYS 9 -1.951 -14.174 0.385
74 HZ2 LYS 9 1HZ LYS 9 -3.218 -14.154 1.485
75 HZ3 LYS 9 2HZ LYS 9 -1.629 -14.154 2.049
76 H LEU 10 H LEU 10 -1.973 -5.796 3.112
77 HA LEU 10 HA LEU 10 -2.449 -6.383 5.964
78 HB2 LEU 10 2HB LEU 10 -1.515 -3.961 4.491
79 HB3 LEU 10 1HB LEU 10 -2.372 -3.770 5.987
80 HG LEU 10 HG LEU 10 -0.707 -4.849 7.245
81 HD11 LEU 10 1HD1 LEU 10 0.698 -5.488 4.650
82 HD12 LEU 10 2HD1 LEU 10 -0.087 -6.658 5.708
83 HD13 LEU 10 3HD1 LEU 10 1.353 -5.797 6.257
84 HD21 LEU 10 3HD2 LEU 10 1.241 -3.447 6.856
85 HD22 LEU 10 1HD2 LEU 10 -0.247 -2.524 6.658
86 HD23 LEU 10 2HD2 LEU 10 0.652 -3.064 5.243
87 H CYS 11 H CYS 11 -3.956 -4.687 6.880
88 HA CYS 11 HA CYS 11 -6.251 -4.191 5.158
89 HB2 CYS 11 2HB CYS 11 -6.546 -5.889 7.634
90 HB3 CYS 11 1HB CYS 11 -7.830 -5.314 6.580
91 H GLY 12 H GLY 12 -7.935 -2.960 6.323
92 HA2 GLY 12 2HA GLY 12 -8.627 -1.178 7.600
93 HA3 GLY 12 1HA GLY 12 -7.872 -2.045 8.905
94 H ARG 13 H ARG 13 -6.804 -0.702 10.027
95 HA ARG 13 HA ARG 13 -5.692 1.672 8.916
96 HB2 ARG 13 2HB ARG 13 -4.966 2.287 11.158
97 HB3 ARG 13 1HB ARG 13 -6.632 1.750 11.177
98 HG2 ARG 13 2HG ARG 13 -5.997 -0.351 12.140
99 HG3 ARG 13 1HG ARG 13 -4.283 0.056 11.993
100 HD2 ARG 13 2HD ARG 13 -5.002 0.407 14.265
101 HD3 ARG 13 1HD ARG 13 -4.665 1.963 13.516
102 HE ARG 13 HE ARG 13 -7.403 1.347 13.241
103 HH11 ARG 13 1HH1 ARG 13 -5.069 2.478 15.616
104 HH12 ARG 13 2HH1 ARG 13 -6.240 3.109 16.676
105 HH21 ARG 13 1HH2 ARG 13 -8.997 2.263 14.640
106 HH22 ARG 13 2HH2 ARG 13 -8.532 3.005 16.104
107 H GLU 14 H GLU 14 -4.495 -1.501 9.120
108 HA GLU 14 HA GLU 14 -1.758 -0.745 9.273
109 HB2 GLU 14 2HB GLU 14 -3.096 -3.275 8.282
110 HB3 GLU 14 1HB GLU 14 -1.363 -3.044 8.242
111 HG2 GLU 14 2HG GLU 14 -1.770 -4.344 10.138
112 HG3 GLU 14 1HG GLU 14 -1.505 -2.723 10.757
113 H LEU 15 H LEU 15 -4.159 -1.191 6.825
114 HA LEU 15 HA LEU 15 -2.505 -0.854 4.535
115 HB2 LEU 15 2HB LEU 15 -5.385 -0.095 4.977
116 HB3 LEU 15 1HB LEU 15 -4.579 -0.010 3.426
117 HG LEU 15 HG LEU 15 -4.893 -2.553 4.989
118 HD11 LEU 15 1HD1 LEU 15 -6.577 -1.408 2.771
119 HD12 LEU 15 2HD1 LEU 15 -7.082 -1.686 4.444
120 HD13 LEU 15 3HD1 LEU 15 -6.699 -3.050 3.400
121 HD21 LEU 15 3HD2 LEU 15 -3.092 -2.552 3.363
122 HD22 LEU 15 1HD2 LEU 15 -4.217 -2.006 2.104
123 HD23 LEU 15 2HD2 LEU 15 -4.434 -3.585 2.882
124 H VAL 16 H VAL 16 -4.262 1.377 6.584
125 HA VAL 16 HA VAL 16 -3.503 3.755 5.196
126 HB VAL 16 HB VAL 16 -4.183 3.492 8.148
127 HG11 VAL 16 1HG1 VAL 16 -4.380 5.865 6.295
128 HG12 VAL 16 2HG1 VAL 16 -3.201 5.647 7.587
129 HG13 VAL 16 3HG1 VAL 16 -4.911 5.828 7.977
130 HG21 VAL 16 3HG2 VAL 16 -6.034 3.968 5.816
131 HG22 VAL 16 1HG2 VAL 16 -6.491 4.004 7.517
132 HG23 VAL 16 2HG2 VAL 16 -5.941 2.496 6.782
133 H ARG 17 H ARG 17 -2.071 2.026 7.915
134 HA ARG 17 HA ARG 17 0.059 3.667 8.626
135 HB2 ARG 17 2HB ARG 17 -0.673 1.394 9.587
136 HB3 ARG 17 1HB ARG 17 0.187 0.690 8.279
137 HG2 ARG 17 2HG ARG 17 1.601 0.610 10.228
138 HG3 ARG 17 1HG ARG 17 2.301 1.664 9.002
139 HD2 ARG 17 2HD ARG 17 1.416 3.617 10.217
140 HD3 ARG 17 1HD ARG 17 0.773 2.536 11.449
141 HE ARG 17 HE ARG 17 3.403 1.893 11.312
142 HH11 ARG 17 1HH1 ARG 17 1.658 4.902 11.951
143 HH12 ARG 17 2HH1 ARG 17 2.891 5.583 12.900
144 HH21 ARG 17 1HH2 ARG 17 5.064 2.791 12.582
145 HH22 ARG 17 2HH2 ARG 17 4.903 4.334 13.298
146 H ALA 18 H ALA 18 0.023 0.995 6.485
147 HA ALA 18 HA ALA 18 2.522 1.186 5.246
148 HB1 ALA 18 1HB ALA 18 1.145 -0.793 5.073
149 HB2 ALA 18 2HB ALA 18 1.522 -0.216 3.442
150 HB3 ALA 18 3HB ALA 18 -0.054 0.094 4.147
151 H GLN 19 H GLN 19 -0.575 2.518 4.188
152 HA GLN 19 HA GLN 19 0.297 3.611 1.781
153 HB2 GLN 19 2HB GLN 19 -1.976 4.046 3.584
154 HB3 GLN 19 1HB GLN 19 -1.806 5.225 2.331
155 HG2 GLN 19 2HG GLN 19 -1.708 3.143 0.785
156 HG3 GLN 19 1HG GLN 19 -2.329 2.283 2.196
157 HE21 GLN 19 1HE2 GLN 19 -2.952 4.605 -0.227
158 HE22 GLN 19 2HE2 GLN 19 -4.665 4.696 -0.002
159 H ILE 20 H ILE 20 -0.298 5.241 4.899
160 HA ILE 20 HA ILE 20 0.581 7.787 4.119
161 HB ILE 20 HB ILE 20 0.742 6.539 6.882
162 HG12 ILE 20 2HG1 ILE 20 -1.550 6.637 6.040
163 HG13 ILE 20 1HG1 ILE 20 -1.332 7.783 7.354
164 HG21 ILE 20 1HG2 ILE 20 0.967 9.441 6.104
165 HG22 ILE 20 2HG2 ILE 20 2.249 8.428 6.772
166 HG23 ILE 20 3HG2 ILE 20 0.846 8.841 7.758
167 HD11 ILE 20 3HD1 ILE 20 -1.155 9.600 5.706
168 HD12 ILE 20 1HD1 ILE 20 -2.688 8.736 5.593
169 HD13 ILE 20 2HD1 ILE 20 -1.419 8.431 4.411
170 H ALA 21 H ALA 21 2.372 5.045 5.316
171 HA ALA 21 HA ALA 21 4.872 6.301 5.529
172 HB1 ALA 21 1HB ALA 21 4.329 4.150 6.561
173 HB2 ALA 21 2HB ALA 21 5.779 4.060 5.561
174 HB3 ALA 21 3HB ALA 21 4.249 3.417 4.961
175 H ILE 22 H ILE 22 3.397 4.405 2.903
176 HA ILE 22 HA ILE 22 5.622 4.698 1.177
177 HB ILE 22 HB ILE 22 3.716 2.849 1.001
178 HG12 ILE 22 2HG1 ILE 22 3.990 2.617 -1.391
179 HG13 ILE 22 1HG1 ILE 22 4.464 4.302 -1.536
180 HG21 ILE 22 1HG2 ILE 22 2.356 4.961 -0.554
181 HG22 ILE 22 2HG2 ILE 22 1.896 4.393 1.038
182 HG23 ILE 22 3HG2 ILE 22 1.864 3.277 -0.339
183 HD11 ILE 22 3HD1 ILE 22 6.043 2.175 -0.112
184 HD12 ILE 22 1HD1 ILE 22 6.530 3.848 -0.382
185 HD13 ILE 22 2HD1 ILE 22 6.329 2.762 -1.754
186 H CYS 23 H CYS 23 2.806 6.632 1.818
187 HA CYS 23 HA CYS 23 2.884 8.170 -0.588
188 HB2 CYS 23 2HB CYS 23 0.912 7.744 1.074
189 HB3 CYS 23 1HB CYS 23 1.589 9.097 1.966
190 H GLY 24 H GLY 24 4.464 8.300 2.466
191 HA2 GLY 24 2HA GLY 24 5.387 11.014 1.957
192 HA3 GLY 24 1HA GLY 24 5.637 10.092 3.434
193 H MET 25 H MET 25 6.321 7.899 1.137
194 HA MET 25 HA MET 25 8.856 8.693 0.263
195 HB2 MET 25 2HB MET 25 9.432 8.415 2.649
196 HB3 MET 25 1HB MET 25 8.804 6.777 2.603
197 HG2 MET 25 2HG MET 25 11.250 6.837 2.495
198 HG3 MET 25 1HG MET 25 10.536 6.106 1.059
199 HE1 MET 25 3HE MET 25 12.277 10.397 1.157
200 HE2 MET 25 1HE MET 25 12.247 9.327 2.558
201 HE3 MET 25 2HE MET 25 10.740 9.985 1.913
202 H SER 26 H SER 26 8.000 7.950 -1.581
203 HA SER 26 HA SER 26 7.436 5.092 -1.868
204 HB2 SER 26 2HB SER 26 7.312 7.245 -3.997
205 HB3 SER 26 1HB SER 26 6.603 5.635 -4.081
206 HG SER 26 HG SER 26 5.609 6.725 -1.926
207 H THR 27 H THR 27 10.055 6.880 -1.777
208 HA THR 27 HA THR 27 11.342 5.638 -4.020
209 HB THR 27 HB THR 27 12.964 7.629 -3.688
210 HG1 THR 27 1HG THR 27 12.362 8.710 -1.948
211 HG21 THR 27 3HG2 THR 27 10.151 8.075 -4.696
212 HG22 THR 27 1HG2 THR 27 11.482 7.381 -5.622
213 HG23 THR 27 2HG2 THR 27 11.551 9.067 -5.101
214 H TRP 28 H TRP 28 13.838 6.109 -3.327
215 HA TRP 28 HA TRP 28 14.135 3.869 -1.549
216 HB2 TRP 28 2HB TRP 28 16.106 5.094 -3.456
217 HB3 TRP 28 1HB TRP 28 16.482 3.730 -2.402
218 HD1 TRP 28 HD TRP 28 15.518 1.378 -3.050
219 HE1 TRP 28 1HE TRP 28 14.318 0.465 -5.123
220 HE3 TRP 28 3HE TRP 28 14.411 5.803 -5.372
221 HZ2 TRP 28 2HZ TRP 28 13.062 1.471 -7.439
222 HZ3 TRP 28 3HZ TRP 28 13.204 5.733 -7.515
223 HH2 TRP 28 HH TRP 28 12.545 3.612 -8.526
224 H SER 29 H SER 29 13.755 4.774 0.353
225 HA SER 29 HA SER 29 16.184 5.601 1.667
226 HB2 SER 29 2HB SER 29 13.599 7.164 1.937
227 HB3 SER 29 1HB SER 29 15.046 7.410 2.919
228 HG SER 29 HG SER 29 15.710 7.392 0.360
229 HN1 NH2 30 HT1 SER 29 16.298 3.753 2.769
230 HN2 NH2 30 HT2 SER 29 15.059 3.112 3.783
231 HA PCA 1 HA PCA 1 -13.581 6.162 -4.039
232 HB2 PCA 1 2HB PCA 1 -12.116 5.538 -1.634
233 HB3 PCA 1 1HB PCA 1 -13.070 7.005 -1.992
234 HG2 PCA 1 2HG PCA 1 -13.730 4.931 -0.162
235 HG3 PCA 1 1HG PCA 1 -14.818 6.251 -0.714
236 H LEU 2 H LEU 2 -11.423 6.065 -4.748
237 HA LEU 2 HA LEU 2 -10.688 3.506 -5.654
238 HB2 LEU 2 2HB LEU 2 -8.625 4.616 -6.579
239 HB3 LEU 2 1HB LEU 2 -10.158 5.250 -7.112
240 HG LEU 2 HG LEU 2 -9.818 7.164 -5.483
241 HD11 LEU 2 1HD1 LEU 2 -7.541 7.662 -4.769
242 HD12 LEU 2 2HD1 LEU 2 -7.021 6.073 -5.340
243 HD13 LEU 2 3HD1 LEU 2 -8.169 6.199 -4.012
244 HD21 LEU 2 3HD2 LEU 2 -8.240 8.327 -6.946
245 HD22 LEU 2 1HD2 LEU 2 -9.479 7.445 -7.841
246 HD23 LEU 2 2HD2 LEU 2 -7.846 6.789 -7.714
247 H TYR 3 H TYR 3 -9.669 5.300 -2.904
248 HA TYR 3 HA TYR 3 -7.414 3.678 -2.313
249 HB2 TYR 3 2HB TYR 3 -9.124 5.441 -0.586
250 HB3 TYR 3 1HB TYR 3 -7.757 4.522 0.023
251 HD1 TYR 3 2HD TYR 3 -5.608 4.902 -1.736
252 HD2 TYR 3 1HD TYR 3 -8.680 7.691 -0.826
253 HE1 TYR 3 2HE TYR 3 -4.124 6.744 -2.381
254 HE2 TYR 3 1HE TYR 3 -7.201 9.538 -1.477
255 HH TYR 3 HH TYR 3 -4.281 9.064 -3.160
256 H SER 4 H SER 4 -10.684 3.748 -1.081
257 HA SER 4 HA SER 4 -10.568 1.494 0.532
258 HB2 SER 4 2HB SER 4 -12.966 2.567 -0.952
259 HB3 SER 4 1HB SER 4 -12.990 1.568 0.506
260 HG SER 4 HG SER 4 -12.995 3.410 1.463
261 H ALA 5 H ALA 5 -11.249 1.743 -2.942
262 HA ALA 5 HA ALA 5 -12.027 -0.899 -3.429
263 HB1 ALA 5 1HB ALA 5 -10.420 0.930 -5.219
264 HB2 ALA 5 2HB ALA 5 -12.176 0.919 -5.091
265 HB3 ALA 5 3HB ALA 5 -11.330 -0.490 -5.738
266 H LEU 6 H LEU 6 -8.821 0.601 -3.613
267 HA LEU 6 HA LEU 6 -7.332 -1.727 -4.119
268 HB2 LEU 6 2HB LEU 6 -6.504 0.586 -4.420
269 HB3 LEU 6 1HB LEU 6 -6.515 0.804 -2.684
270 HG LEU 6 HG LEU 6 -4.816 -1.019 -2.513
271 HD11 LEU 6 1HD1 LEU 6 -3.568 -1.633 -4.519
272 HD12 LEU 6 2HD1 LEU 6 -4.725 -0.744 -5.508
273 HD13 LEU 6 3HD1 LEU 6 -5.247 -2.163 -4.598
274 HD21 LEU 6 3HD2 LEU 6 -4.143 1.306 -2.398
275 HD22 LEU 6 1HD2 LEU 6 -4.101 1.398 -4.159
276 HD23 LEU 6 2HD2 LEU 6 -2.944 0.383 -3.303
277 H ALA 7 H ALA 7 -8.365 -0.164 -1.162
278 HA ALA 7 HA ALA 7 -6.944 -1.579 0.725
279 HB1 ALA 7 1HB ALA 7 -9.777 -0.584 0.987
280 HB2 ALA 7 2HB ALA 7 -8.322 0.376 1.258
281 HB3 ALA 7 3HB ALA 7 -8.697 -0.982 2.322
282 H ASN 8 H ASN 8 -10.060 -2.478 -0.757
283 HA ASN 8 HA ASN 8 -10.396 -4.887 0.721
284 HB2 ASN 8 2HB ASN 8 -11.380 -4.256 -2.083
285 HB3 ASN 8 1HB ASN 8 -11.818 -5.706 -1.199
286 HD21 ASN 8 1HD2 ASN 8 -12.397 -2.382 -1.686
287 HD22 ASN 8 2HD2 ASN 8 -13.721 -2.232 -0.594
288 H LYS 9 H LYS 9 -8.948 -4.178 -2.364
289 HA LYS 9 HA LYS 9 -8.304 -6.801 -3.085
290 HB2 LYS 9 2HB LYS 9 -6.970 -4.218 -3.899
291 HB3 LYS 9 1HB LYS 9 -6.755 -5.747 -4.731
292 HG2 LYS 9 2HG LYS 9 -9.124 -5.781 -5.315
293 HG3 LYS 9 1HG LYS 9 -9.372 -4.286 -4.417
294 HD2 LYS 9 2HD LYS 9 -9.242 -3.773 -6.767
295 HD3 LYS 9 1HD LYS 9 -7.804 -3.149 -5.970
296 HE2 LYS 9 2HE LYS 9 -6.508 -5.038 -6.763
297 HE3 LYS 9 1HE LYS 9 -7.946 -5.758 -7.483
298 HZ1 LYS 9 3HZ LYS 9 -6.636 -4.637 -9.138
299 HZ2 LYS 9 1HZ LYS 9 -6.688 -3.188 -8.287
300 HZ3 LYS 9 2HZ LYS 9 -8.093 -3.821 -8.959
301 H CYS 10 H CYS 10 -6.257 -4.415 -1.432
302 HA CYS 10 HA CYS 10 -4.004 -6.182 -1.243
303 HB2 CYS 10 2HB CYS 10 -4.690 -3.848 0.550
304 HB3 CYS 10 1HB CYS 10 -3.098 -4.547 0.279
305 H CYS 11 H CYS 11 -6.863 -5.742 0.674
306 HA CYS 11 HA CYS 11 -5.809 -7.099 2.961
307 HB2 CYS 11 2HB CYS 11 -7.581 -5.367 3.100
308 HB3 CYS 11 1HB CYS 11 -8.656 -6.439 2.232
309 H HIS 12 H HIS 12 -7.770 -7.918 0.167
310 HA HIS 12 HA HIS 12 -8.293 -10.546 1.227
311 HB2 HIS 12 2HB HIS 12 -9.122 -9.106 -1.233
312 HB3 HIS 12 1HB HIS 12 -9.388 -10.833 -1.070
313 HD1 HIS 12 1HD HIS 12 -11.479 -11.495 0.304
314 HD2 HIS 12 2HD HIS 12 -10.432 -7.502 0.737
315 HE1 HIS 12 1HE HIS 12 -13.352 -10.422 1.610
316 H VAL 13 H VAL 13 -6.589 -9.242 -1.545
317 HA VAL 13 HA VAL 13 -5.282 -11.854 -1.729
318 HB VAL 13 HB VAL 13 -4.786 -11.338 -4.089
319 HG11 VAL 13 1HG1 VAL 13 -7.700 -11.444 -3.276
320 HG12 VAL 13 2HG1 VAL 13 -6.636 -12.832 -3.520
321 HG13 VAL 13 3HG1 VAL 13 -7.124 -11.833 -4.893
322 HG21 VAL 13 3HG2 VAL 13 -6.747 -9.077 -3.715
323 HG22 VAL 13 1HG2 VAL 13 -6.204 -9.674 -5.287
324 HG23 VAL 13 2HG2 VAL 13 -5.050 -8.949 -4.170
325 H GLY 14 H GLY 14 -4.707 -8.487 -2.183
326 HA2 GLY 14 2HA GLY 14 -2.747 -7.623 -0.833
327 HA3 GLY 14 1HA GLY 14 -1.841 -8.906 -1.529
328 H CYS 15 H CYS 15 -0.972 -6.398 -1.825
329 HA CYS 15 HA CYS 15 -1.196 -5.971 -4.686
330 HB2 CYS 15 2HB CYS 15 -1.621 -3.586 -4.393
331 HB3 CYS 15 1HB CYS 15 -2.965 -4.558 -3.816
332 H THR 16 H THR 16 0.442 -4.351 -5.358
333 HA THR 16 HA THR 16 2.786 -4.746 -3.837
334 HB THR 16 HB THR 16 3.855 -3.328 -5.610
335 HG1 THR 16 1HG THR 16 2.119 -3.397 -7.508
336 HG21 THR 16 3HG2 THR 16 2.255 -5.683 -6.596
337 HG22 THR 16 1HG2 THR 16 3.825 -5.767 -5.801
338 HG23 THR 16 2HG2 THR 16 3.679 -5.007 -7.385
339 H LYS 17 H LYS 17 3.990 -3.161 -3.026
340 HA LYS 17 HA LYS 17 2.622 -1.044 -1.610
341 HB2 LYS 17 2HB LYS 17 4.841 -2.332 -1.080
342 HB3 LYS 17 1HB LYS 17 5.604 -1.123 -2.088
343 HG2 LYS 17 2HG LYS 17 5.870 -0.624 0.151
344 HG3 LYS 17 1HG LYS 17 4.799 0.611 -0.558
345 HD2 LYS 17 2HD LYS 17 2.872 -0.507 0.449
346 HD3 LYS 17 1HD LYS 17 3.913 -1.797 1.056
347 HE2 LYS 17 2HE LYS 17 4.058 1.112 1.861
348 HE3 LYS 17 1HE LYS 17 3.335 -0.185 2.806
349 HZ1 LYS 17 3HZ LYS 17 6.189 -0.050 2.022
350 HZ2 LYS 17 1HZ LYS 17 5.496 -1.238 2.962
351 HZ3 LYS 17 2HZ LYS 17 5.601 0.335 3.529
352 H ARG 18 H ARG 18 4.266 -1.383 -4.609
353 HA ARG 18 HA ARG 18 4.518 1.318 -5.413
354 HB2 ARG 18 2HB ARG 18 3.976 -1.115 -7.124
355 HB3 ARG 18 1HB ARG 18 4.608 0.419 -7.686
356 HG2 ARG 18 2HG ARG 18 5.993 -1.477 -5.809
357 HG3 ARG 18 1HG ARG 18 6.335 -1.275 -7.523
358 HD2 ARG 18 2HD ARG 18 6.643 0.832 -5.393
359 HD3 ARG 18 1HD ARG 18 7.947 -0.083 -6.139
360 HE ARG 18 HE ARG 18 6.379 2.053 -7.323
361 HH11 ARG 18 1HH1 ARG 18 8.839 -0.455 -7.859
362 HH12 ARG 18 2HH1 ARG 18 9.573 0.364 -9.157
363 HH21 ARG 18 1HH2 ARG 18 7.421 3.140 -9.112
364 HH22 ARG 18 2HH2 ARG 18 8.761 2.398 -9.873
365 H SER 19 H SER 19 1.898 -0.950 -5.304
366 HA SER 19 HA SER 19 0.183 0.451 -7.056
367 HB2 SER 19 2HB SER 19 0.049 -1.968 -6.720
368 HB3 SER 19 1HB SER 19 -0.433 -1.759 -5.058
369 HG SER 19 HG SER 19 -2.321 -1.968 -6.111
370 H LEU 20 H LEU 20 0.600 0.275 -3.562
371 HA LEU 20 HA LEU 20 -1.475 2.341 -3.230
372 HB2 LEU 20 2HB LEU 20 0.473 1.973 -0.894
373 HB3 LEU 20 1HB LEU 20 -1.179 2.376 -0.974
374 HG LEU 20 HG LEU 20 -1.723 -0.013 -1.600
375 HD11 LEU 20 1HD1 LEU 20 1.034 -0.428 -0.543
376 HD12 LEU 20 2HD1 LEU 20 0.491 -0.754 -2.195
377 HD13 LEU 20 3HD1 LEU 20 -0.153 -1.690 -0.849
378 HD21 LEU 20 3HD2 LEU 20 -2.211 0.910 0.585
379 HD22 LEU 20 1HD2 LEU 20 -0.553 0.573 1.096
380 HD23 LEU 20 2HD2 LEU 20 -1.643 -0.759 0.712
381 H ALA 21 H ALA 21 1.847 2.281 -3.707
382 HA ALA 21 HA ALA 21 2.448 4.956 -3.085
383 HB1 ALA 21 1HB ALA 21 3.756 3.328 -5.250
384 HB2 ALA 21 2HB ALA 21 4.173 3.259 -3.539
385 HB3 ALA 21 3HB ALA 21 4.434 4.747 -4.452
386 H ARG 22 H ARG 22 1.104 3.618 -6.035
387 HA ARG 22 HA ARG 22 1.325 6.070 -7.506
388 HB2 ARG 22 2HB ARG 22 -0.150 4.981 -9.188
389 HB3 ARG 22 1HB ARG 22 1.252 4.010 -8.760
390 HG2 ARG 22 2HG ARG 22 -0.131 2.673 -7.273
391 HG3 ARG 22 1HG ARG 22 -1.530 3.648 -7.699
392 HD2 ARG 22 2HD ARG 22 -1.463 2.876 -9.947
393 HD3 ARG 22 1HD ARG 22 0.081 2.063 -9.682
394 HE ARG 22 HE ARG 22 -1.508 0.947 -7.836
395 HH11 ARG 22 1HH1 ARG 22 -2.059 1.439 -11.279
396 HH12 ARG 22 2HH1 ARG 22 -2.823 -0.053 -11.535
397 HH21 ARG 22 1HH2 ARG 22 -2.523 -1.099 -8.145
398 HH22 ARG 22 2HH2 ARG 22 -3.111 -1.553 -9.694
399 H PHE 23 H PHE 23 -0.914 4.920 -5.220
400 HA PHE 23 HA PHE 23 -2.888 6.907 -6.079
401 HB2 PHE 23 2HB PHE 23 -3.119 4.678 -4.055
402 HB3 PHE 23 1HB PHE 23 -4.354 5.907 -4.279
403 HD1 PHE 23 1HD PHE 23 -5.391 6.111 -6.609
404 HD2 PHE 23 2HD PHE 23 -3.125 2.757 -5.347
405 HE1 PHE 23 1HE PHE 23 -6.454 4.748 -8.352
406 HE2 PHE 23 2HE PHE 23 -4.171 1.381 -7.090
407 HZ PHE 23 HZ PHE 23 -5.842 2.375 -8.604
408 H CYS 24 H CYS 24 -1.126 5.910 -3.300
409 HA CYS 24 HA CYS 24 -0.331 8.548 -2.602
410 HB2 CYS 24 2HB CYS 24 -2.693 8.569 -1.692
411 HB3 CYS 24 1HB CYS 24 -2.271 7.203 -0.683
412 HN1 NH2 25 HT1 CYS 24 1.609 7.545 -2.733
413 HN2 NH2 25 HT2 CYS 24 2.161 6.342 -1.625
Start of MODEL 7
1 H1 ASP 1 1HT ASP 1 13.302 3.293 -3.473
2 H2 ASP 1 2HT ASP 1 13.137 4.495 -4.639
3 H3 ASP 1 3HT ASP 1 14.259 3.263 -4.878
4 HA ASP 1 HA ASP 1 11.305 3.015 -4.867
5 HB2 ASP 1 2HB ASP 1 13.381 2.853 -7.030
6 HB3 ASP 1 1HB ASP 1 11.734 2.269 -7.215
7 H SER 2 H SER 2 14.193 1.367 -4.041
8 HA SER 2 HA SER 2 13.813 -1.131 -5.175
9 HB2 SER 2 2HB SER 2 14.979 -0.629 -2.456
10 HB3 SER 2 1HB SER 2 15.452 -1.862 -3.629
11 HG SER 2 HG SER 2 16.085 -0.064 -5.020
12 H TRP 3 H TRP 3 12.322 0.318 -2.704
13 HA TRP 3 HA TRP 3 11.201 -2.044 -1.437
14 HB2 TRP 3 2HB TRP 3 9.916 -0.381 -0.015
15 HB3 TRP 3 1HB TRP 3 11.664 -0.306 0.116
16 HD1 TRP 3 HD TRP 3 12.782 1.978 -0.400
17 HE1 TRP 3 1HE TRP 3 11.957 4.280 -1.144
18 HE3 TRP 3 3HE TRP 3 7.988 0.752 -1.539
19 HZ2 TRP 3 2HZ TRP 3 9.539 5.437 -2.101
20 HZ3 TRP 3 3HZ TRP 3 6.490 2.433 -2.376
21 HH2 TRP 3 HH TRP 3 7.228 4.785 -2.652
22 H MET 4 H MET 4 10.267 -0.055 -4.082
23 HA MET 4 HA MET 4 7.461 -0.255 -3.478
24 HB2 MET 4 2HB MET 4 6.958 1.031 -5.419
25 HB3 MET 4 1HB MET 4 8.353 1.754 -4.655
26 HG2 MET 4 2HG MET 4 9.816 0.843 -6.326
27 HG3 MET 4 1HG MET 4 8.487 -0.063 -7.050
28 HE1 MET 4 3HE MET 4 10.373 1.789 -8.773
29 HE2 MET 4 1HE MET 4 9.198 2.644 -9.772
30 HE3 MET 4 2HE MET 4 8.992 0.925 -9.445
31 H GLU 5 H GLU 5 9.706 -2.080 -5.246
32 HA GLU 5 HA GLU 5 7.603 -3.499 -6.620
33 HB2 GLU 5 2HB GLU 5 10.563 -4.087 -6.447
34 HB3 GLU 5 1HB GLU 5 9.417 -4.923 -7.487
35 HG2 GLU 5 2HG GLU 5 8.963 -2.778 -8.632
36 HG3 GLU 5 1HG GLU 5 10.219 -2.030 -7.647
37 H GLU 6 H GLU 6 6.413 -4.134 -4.890
38 HA GLU 6 HA GLU 6 7.310 -6.480 -3.483
39 HB2 GLU 6 2HB GLU 6 8.088 -4.367 -2.149
40 HB3 GLU 6 1HB GLU 6 6.386 -4.067 -2.033
41 HG2 GLU 6 2HG GLU 6 7.275 -5.095 0.003
42 HG3 GLU 6 1HG GLU 6 5.928 -5.955 -0.739
43 H VAL 7 H VAL 7 5.551 -7.277 -2.276
44 HA VAL 7 HA VAL 7 2.912 -6.231 -2.808
45 HB VAL 7 HB VAL 7 3.158 -7.922 -4.583
46 HG11 VAL 7 1HG1 VAL 7 3.805 -9.899 -2.408
47 HG12 VAL 7 2HG1 VAL 7 4.912 -9.289 -3.637
48 HG13 VAL 7 3HG1 VAL 7 3.537 -10.289 -4.109
49 HG21 VAL 7 3HG2 VAL 7 0.942 -7.732 -3.582
50 HG22 VAL 7 1HG2 VAL 7 1.369 -8.919 -2.354
51 HG23 VAL 7 2HG2 VAL 7 1.250 -9.405 -4.042
52 H ILE 8 H ILE 8 1.786 -6.182 -1.035
53 HA ILE 8 HA ILE 8 2.615 -7.871 1.215
54 HB ILE 8 HB ILE 8 2.140 -6.001 2.762
55 HG12 ILE 8 2HG1 ILE 8 1.801 -4.393 0.228
56 HG13 ILE 8 1HG1 ILE 8 0.560 -4.748 1.406
57 HG21 ILE 8 1HG2 ILE 8 4.230 -5.316 0.700
58 HG22 ILE 8 2HG2 ILE 8 4.447 -6.363 2.100
59 HG23 ILE 8 3HG2 ILE 8 4.142 -4.641 2.326
60 HD11 ILE 8 3HD1 ILE 8 1.726 -3.375 3.077
61 HD12 ILE 8 1HD1 ILE 8 1.327 -2.447 1.630
62 HD13 ILE 8 2HD1 ILE 8 2.977 -3.009 1.891
63 H LYS 9 H LYS 9 0.815 -7.731 2.894
64 HA LYS 9 HA LYS 9 -1.782 -7.531 1.599
65 HB2 LYS 9 2HB LYS 9 -1.040 -9.913 1.477
66 HB3 LYS 9 1HB LYS 9 -0.934 -9.933 3.230
67 HG2 LYS 9 2HG LYS 9 -3.348 -9.440 3.341
68 HG3 LYS 9 1HG LYS 9 -3.419 -9.549 1.585
69 HD2 LYS 9 2HD LYS 9 -2.610 -11.861 1.706
70 HD3 LYS 9 1HD LYS 9 -2.577 -11.748 3.467
71 HE2 LYS 9 2HE LYS 9 -5.019 -11.444 1.724
72 HE3 LYS 9 1HE LYS 9 -4.592 -12.873 2.661
73 HZ1 LYS 9 3HZ LYS 9 -6.241 -11.492 3.773
74 HZ2 LYS 9 1HZ LYS 9 -5.185 -10.188 3.797
75 HZ3 LYS 9 2HZ LYS 9 -4.826 -11.579 4.685
76 H LEU 10 H LEU 10 -1.797 -5.601 2.822
77 HA LEU 10 HA LEU 10 -2.243 -6.009 5.693
78 HB2 LEU 10 2HB LEU 10 -1.224 -3.631 4.194
79 HB3 LEU 10 1HB LEU 10 -2.074 -3.417 5.691
80 HG LEU 10 HG LEU 10 -0.471 -4.701 6.892
81 HD11 LEU 10 1HD1 LEU 10 0.274 -6.268 5.196
82 HD12 LEU 10 2HD1 LEU 10 1.671 -5.392 5.840
83 HD13 LEU 10 3HD1 LEU 10 0.999 -4.955 4.266
84 HD21 LEU 10 3HD2 LEU 10 0.841 -2.603 5.200
85 HD22 LEU 10 1HD2 LEU 10 1.443 -3.189 6.747
86 HD23 LEU 10 2HD2 LEU 10 -0.095 -2.322 6.666
87 H CYS 11 H CYS 11 -3.710 -4.279 6.557
88 HA CYS 11 HA CYS 11 -5.917 -3.682 4.839
89 HB2 CYS 11 2HB CYS 11 -6.250 -5.958 5.006
90 HB3 CYS 11 1HB CYS 11 -6.128 -6.006 6.774
91 H GLY 12 H GLY 12 -7.644 -2.802 6.007
92 HA2 GLY 12 2HA GLY 12 -8.496 -1.185 7.445
93 HA3 GLY 12 1HA GLY 12 -7.714 -2.129 8.697
94 H ARG 13 H ARG 13 -6.709 -0.876 9.910
95 HA ARG 13 HA ARG 13 -5.760 1.695 9.226
96 HB2 ARG 13 2HB ARG 13 -5.179 0.018 11.652
97 HB3 ARG 13 1HB ARG 13 -4.755 1.709 11.452
98 HG2 ARG 13 2HG ARG 13 -7.091 2.318 11.348
99 HG3 ARG 13 1HG ARG 13 -7.558 0.617 11.458
100 HD2 ARG 13 2HD ARG 13 -6.033 2.186 13.531
101 HD3 ARG 13 1HD ARG 13 -7.727 1.708 13.637
102 HE ARG 13 HE ARG 13 -6.561 -0.640 13.296
103 HH11 ARG 13 1HH1 ARG 13 -5.667 1.993 15.482
104 HH12 ARG 13 2HH1 ARG 13 -5.063 0.962 16.695
105 HH21 ARG 13 1HH2 ARG 13 -5.651 -2.061 14.977
106 HH22 ARG 13 2HH2 ARG 13 -5.074 -1.353 16.407
107 H GLU 14 H GLU 14 -4.198 -1.506 9.336
108 HA GLU 14 HA GLU 14 -1.568 -0.432 9.448
109 HB2 GLU 14 2HB GLU 14 -2.610 -3.111 8.615
110 HB3 GLU 14 1HB GLU 14 -0.900 -2.733 8.642
111 HG2 GLU 14 2HG GLU 14 -1.239 -2.141 11.091
112 HG3 GLU 14 1HG GLU 14 -2.830 -2.885 10.931
113 H LEU 15 H LEU 15 -3.790 -1.241 7.002
114 HA LEU 15 HA LEU 15 -2.015 -1.110 4.810
115 HB2 LEU 15 2HB LEU 15 -4.305 -2.113 4.847
116 HB3 LEU 15 1HB LEU 15 -4.958 -0.491 4.857
117 HG LEU 15 HG LEU 15 -3.981 -0.080 2.645
118 HD11 LEU 15 1HD1 LEU 15 -2.045 -1.575 2.827
119 HD12 LEU 15 2HD1 LEU 15 -3.025 -1.971 1.411
120 HD13 LEU 15 3HD1 LEU 15 -3.143 -2.957 2.869
121 HD21 LEU 15 3HD2 LEU 15 -5.614 -2.591 2.882
122 HD22 LEU 15 1HD2 LEU 15 -5.384 -1.637 1.413
123 HD23 LEU 15 2HD2 LEU 15 -6.225 -0.937 2.807
124 H VAL 16 H VAL 16 -4.082 1.226 6.434
125 HA VAL 16 HA VAL 16 -3.414 3.478 4.789
126 HB VAL 16 HB VAL 16 -4.377 3.449 7.677
127 HG11 VAL 16 1HG1 VAL 16 -5.199 5.713 7.236
128 HG12 VAL 16 2HG1 VAL 16 -4.500 5.653 5.618
129 HG13 VAL 16 3HG1 VAL 16 -3.449 5.613 7.034
130 HG21 VAL 16 3HG2 VAL 16 -6.622 3.776 6.761
131 HG22 VAL 16 1HG2 VAL 16 -5.919 2.249 6.233
132 HG23 VAL 16 2HG2 VAL 16 -5.975 3.622 5.128
133 H ARG 17 H ARG 17 -2.119 2.185 7.796
134 HA ARG 17 HA ARG 17 -0.186 4.134 8.313
135 HB2 ARG 17 2HB ARG 17 -0.197 1.183 8.915
136 HB3 ARG 17 1HB ARG 17 1.095 2.240 9.444
137 HG2 ARG 17 2HG ARG 17 -0.412 3.493 10.825
138 HG3 ARG 17 1HG ARG 17 -1.799 2.617 10.176
139 HD2 ARG 17 2HD ARG 17 -1.117 1.810 12.406
140 HD3 ARG 17 1HD ARG 17 -1.013 0.551 11.179
141 HE ARG 17 HE ARG 17 1.448 1.964 11.647
142 HH11 ARG 17 1HH1 ARG 17 -0.554 -0.749 12.764
143 HH12 ARG 17 2HH1 ARG 17 0.753 -1.627 13.411
144 HH21 ARG 17 1HH2 ARG 17 3.190 0.821 12.581
145 HH22 ARG 17 2HH2 ARG 17 2.951 -0.703 13.325
146 H ALA 18 H ALA 18 0.058 1.219 6.418
147 HA ALA 18 HA ALA 18 2.726 1.523 5.572
148 HB1 ALA 18 1HB ALA 18 1.491 -0.571 5.307
149 HB2 ALA 18 2HB ALA 18 2.158 -0.033 3.762
150 HB3 ALA 18 3HB ALA 18 0.444 0.191 4.109
151 H GLN 19 H GLN 19 -0.301 2.512 4.083
152 HA GLN 19 HA GLN 19 0.615 3.721 1.777
153 HB2 GLN 19 2HB GLN 19 -1.671 4.161 3.588
154 HB3 GLN 19 1HB GLN 19 -1.516 5.259 2.256
155 HG2 GLN 19 2HG GLN 19 -1.442 3.239 0.777
156 HG3 GLN 19 1HG GLN 19 -1.806 2.263 2.208
157 HE21 GLN 19 1HE2 GLN 19 -3.229 2.571 -0.241
158 HE22 GLN 19 2HE2 GLN 19 -4.799 3.152 0.168
159 H ILE 20 H ILE 20 -0.088 5.262 4.874
160 HA ILE 20 HA ILE 20 0.931 7.814 4.314
161 HB ILE 20 HB ILE 20 0.809 6.434 7.021
162 HG12 ILE 20 2HG1 ILE 20 -1.394 6.604 5.972
163 HG13 ILE 20 1HG1 ILE 20 -1.287 7.685 7.351
164 HG21 ILE 20 1HG2 ILE 20 1.123 9.373 6.408
165 HG22 ILE 20 2HG2 ILE 20 2.339 8.320 7.129
166 HG23 ILE 20 3HG2 ILE 20 0.855 8.687 8.011
167 HD11 ILE 20 3HD1 ILE 20 -1.092 8.472 4.447
168 HD12 ILE 20 1HD1 ILE 20 -0.939 9.573 5.818
169 HD13 ILE 20 2HD1 ILE 20 -2.463 8.738 5.522
170 H ALA 21 H ALA 21 2.590 4.937 5.497
171 HA ALA 21 HA ALA 21 5.075 6.133 6.055
172 HB1 ALA 21 1HB ALA 21 6.012 3.879 5.939
173 HB2 ALA 21 2HB ALA 21 4.544 3.297 5.156
174 HB3 ALA 21 3HB ALA 21 4.487 3.863 6.824
175 H ILE 22 H ILE 22 3.733 4.723 3.134
176 HA ILE 22 HA ILE 22 5.942 4.906 1.418
177 HB ILE 22 HB ILE 22 3.048 5.414 0.688
178 HG12 ILE 22 2HG1 ILE 22 3.333 3.200 1.748
179 HG13 ILE 22 1HG1 ILE 22 2.890 3.074 0.052
180 HG21 ILE 22 1HG2 ILE 22 4.459 6.182 -1.063
181 HG22 ILE 22 2HG2 ILE 22 3.767 4.627 -1.571
182 HG23 ILE 22 3HG2 ILE 22 5.425 4.710 -1.000
183 HD11 ILE 22 3HD1 ILE 22 5.200 2.618 -0.509
184 HD12 ILE 22 1HD1 ILE 22 4.543 1.456 0.641
185 HD13 ILE 22 2HD1 ILE 22 5.637 2.729 1.200
186 H CYS 23 H CYS 23 3.308 7.157 1.987
187 HA CYS 23 HA CYS 23 4.250 9.104 0.128
188 HB2 CYS 23 2HB CYS 23 2.237 9.181 2.316
189 HB3 CYS 23 1HB CYS 23 2.440 10.423 1.096
190 H GLY 24 H GLY 24 4.553 8.596 3.454
191 HA2 GLY 24 2HA GLY 24 5.695 11.172 4.065
192 HA3 GLY 24 1HA GLY 24 5.628 9.788 5.149
193 H MET 25 H MET 25 6.938 8.170 2.869
194 HA MET 25 HA MET 25 9.538 9.319 2.883
195 HB2 MET 25 2HB MET 25 9.607 8.241 5.041
196 HB3 MET 25 1HB MET 25 8.999 6.742 4.360
197 HG2 MET 25 2HG MET 25 11.424 6.694 4.826
198 HG3 MET 25 1HG MET 25 11.003 6.398 3.137
199 HE1 MET 25 3HE MET 25 12.458 8.974 5.705
200 HE2 MET 25 1HE MET 25 11.104 9.877 5.027
201 HE3 MET 25 2HE MET 25 12.760 10.385 4.691
202 H SER 26 H SER 26 8.936 9.360 0.718
203 HA SER 26 HA SER 26 9.328 6.813 -0.653
204 HB2 SER 26 2HB SER 26 8.596 9.519 -1.793
205 HB3 SER 26 1HB SER 26 8.664 8.012 -2.705
206 HG SER 26 HG SER 26 7.090 7.849 -0.469
207 H THR 27 H THR 27 11.060 9.076 0.619
208 HA THR 27 HA THR 27 12.983 9.619 -1.471
209 HB THR 27 HB THR 27 13.301 10.227 1.437
210 HG1 THR 27 1HG THR 27 11.710 11.559 -0.537
211 HG21 THR 27 3HG2 THR 27 14.388 12.270 0.556
212 HG22 THR 27 1HG2 THR 27 14.020 11.742 -1.086
213 HG23 THR 27 2HG2 THR 27 15.143 10.814 -0.098
214 H TRP 28 H TRP 28 12.423 7.391 0.748
215 HA TRP 28 HA TRP 28 15.031 6.451 1.454
216 HB2 TRP 28 2HB TRP 28 12.956 6.003 2.751
217 HB3 TRP 28 1HB TRP 28 12.421 4.921 1.469
218 HD1 TRP 28 HD TRP 28 13.401 2.489 1.494
219 HE1 TRP 28 1HE TRP 28 14.887 1.209 3.147
220 HE3 TRP 28 3HE TRP 28 14.958 6.397 4.387
221 HZ2 TRP 28 2HZ TRP 28 16.499 1.763 5.371
222 HZ3 TRP 28 3HZ TRP 28 16.480 5.935 6.265
223 HH2 TRP 28 HH TRP 28 17.234 3.667 6.747
224 H SER 29 H SER 29 16.302 4.959 0.433
225 HA SER 29 HA SER 29 15.905 4.453 -2.300
226 HB2 SER 29 2HB SER 29 17.850 3.069 -0.434
227 HB3 SER 29 1HB SER 29 17.974 3.207 -2.184
228 HG SER 29 HG SER 29 17.759 5.643 -1.497
229 HN1 NH2 30 HT1 SER 29 16.251 2.011 0.253
230 HN2 NH2 30 HT2 SER 29 15.095 0.908 -0.396
231 HA PCA 1 HA PCA 1 -13.538 4.460 -4.091
232 HB2 PCA 1 2HB PCA 1 -14.162 2.381 -6.003
233 HB3 PCA 1 1HB PCA 1 -15.240 3.078 -4.765
234 HG2 PCA 1 2HG PCA 1 -15.246 3.540 -7.626
235 HG3 PCA 1 1HG PCA 1 -16.348 4.242 -6.393
236 H LEU 2 H LEU 2 -11.502 5.236 -5.861
237 HA LEU 2 HA LEU 2 -9.908 3.064 -6.803
238 HB2 LEU 2 2HB LEU 2 -9.032 5.837 -6.024
239 HB3 LEU 2 1HB LEU 2 -8.036 4.680 -6.879
240 HG LEU 2 HG LEU 2 -10.603 5.882 -7.929
241 HD11 LEU 2 1HD1 LEU 2 -8.809 7.520 -7.785
242 HD12 LEU 2 2HD1 LEU 2 -9.162 7.106 -9.461
243 HD13 LEU 2 3HD1 LEU 2 -7.736 6.434 -8.669
244 HD21 LEU 2 3HD2 LEU 2 -9.923 4.863 -10.065
245 HD22 LEU 2 1HD2 LEU 2 -10.218 3.646 -8.823
246 HD23 LEU 2 2HD2 LEU 2 -8.566 4.086 -9.251
247 H TYR 3 H TYR 3 -9.836 4.862 -3.821
248 HA TYR 3 HA TYR 3 -7.608 3.434 -2.720
249 HB2 TYR 3 2HB TYR 3 -9.697 5.198 -1.513
250 HB3 TYR 3 1HB TYR 3 -8.439 4.450 -0.556
251 HD1 TYR 3 1HD TYR 3 -6.032 5.122 -1.057
252 HD2 TYR 3 2HD TYR 3 -9.355 7.135 -2.776
253 HE1 TYR 3 1HE TYR 3 -4.587 7.026 -1.617
254 HE2 TYR 3 2HE TYR 3 -7.937 9.027 -3.340
255 HH TYR 3 HH TYR 3 -4.523 8.865 -3.177
256 H SER 4 H SER 4 -11.034 3.445 -2.231
257 HA SER 4 HA SER 4 -11.360 1.408 -0.412
258 HB2 SER 4 2HB SER 4 -13.161 1.999 -2.761
259 HB3 SER 4 1HB SER 4 -13.628 1.222 -1.246
260 HG SER 4 HG SER 4 -14.172 3.308 -1.014
261 H ALA 5 H ALA 5 -11.129 1.101 -3.972
262 HA ALA 5 HA ALA 5 -11.493 -1.668 -4.130
263 HB1 ALA 5 1HB ALA 5 -11.586 -0.176 -6.085
264 HB2 ALA 5 2HB ALA 5 -10.458 -1.506 -6.343
265 HB3 ALA 5 3HB ALA 5 -9.849 0.102 -5.949
266 H LEU 6 H LEU 6 -8.549 0.262 -3.827
267 HA LEU 6 HA LEU 6 -6.720 -1.885 -3.809
268 HB2 LEU 6 2HB LEU 6 -6.049 0.464 -4.134
269 HB3 LEU 6 1HB LEU 6 -6.513 0.830 -2.488
270 HG LEU 6 HG LEU 6 -4.755 -0.812 -1.738
271 HD11 LEU 6 1HD1 LEU 6 -3.921 -0.634 -4.615
272 HD12 LEU 6 2HD1 LEU 6 -4.474 -2.074 -3.753
273 HD13 LEU 6 3HD1 LEU 6 -2.950 -1.305 -3.307
274 HD21 LEU 6 3HD2 LEU 6 -4.382 1.567 -1.576
275 HD22 LEU 6 1HD2 LEU 6 -3.880 1.634 -3.262
276 HD23 LEU 6 2HD2 LEU 6 -2.893 0.772 -2.086
277 H ALA 7 H ALA 7 -8.413 -0.178 -1.225
278 HA ALA 7 HA ALA 7 -7.267 -1.368 0.995
279 HB1 ALA 7 1HB ALA 7 -9.252 -0.673 2.225
280 HB2 ALA 7 2HB ALA 7 -10.123 -0.439 0.709
281 HB3 ALA 7 3HB ALA 7 -8.747 0.591 1.103
282 H ASN 8 H ASN 8 -10.075 -2.359 -0.833
283 HA ASN 8 HA ASN 8 -10.554 -4.676 0.749
284 HB2 ASN 8 2HB ASN 8 -11.598 -3.821 -1.948
285 HB3 ASN 8 1HB ASN 8 -12.004 -5.384 -1.256
286 HD21 ASN 8 1HD2 ASN 8 -12.397 -1.934 -0.950
287 HD22 ASN 8 2HD2 ASN 8 -13.718 -1.970 0.141
288 H LYS 9 H LYS 9 -8.933 -4.138 -2.339
289 HA LYS 9 HA LYS 9 -8.453 -6.835 -2.956
290 HB2 LYS 9 2HB LYS 9 -8.160 -4.820 -4.525
291 HB3 LYS 9 1HB LYS 9 -6.682 -4.505 -3.666
292 HG2 LYS 9 2HG LYS 9 -5.728 -6.615 -4.356
293 HG3 LYS 9 1HG LYS 9 -7.223 -7.041 -5.190
294 HD2 LYS 9 2HD LYS 9 -6.932 -5.037 -6.632
295 HD3 LYS 9 1HD LYS 9 -5.386 -4.735 -5.842
296 HE2 LYS 9 2HE LYS 9 -5.038 -5.877 -7.961
297 HE3 LYS 9 1HE LYS 9 -4.576 -6.920 -6.621
298 HZ1 LYS 9 3HZ LYS 9 -5.857 -8.090 -8.337
299 HZ2 LYS 9 1HZ LYS 9 -7.159 -7.067 -8.082
300 HZ3 LYS 9 2HZ LYS 9 -6.673 -8.115 -6.866
301 H CYS 10 H CYS 10 -6.402 -4.537 -1.221
302 HA CYS 10 HA CYS 10 -4.260 -6.406 -0.882
303 HB2 CYS 10 2HB CYS 10 -4.258 -3.791 -0.721
304 HB3 CYS 10 1HB CYS 10 -4.777 -4.081 0.925
305 H CYS 11 H CYS 11 -7.163 -5.637 0.910
306 HA CYS 11 HA CYS 11 -6.335 -6.968 3.274
307 HB2 CYS 11 2HB CYS 11 -8.122 -5.188 3.119
308 HB3 CYS 11 1HB CYS 11 -9.154 -6.382 2.362
309 H HIS 12 H HIS 12 -8.153 -7.911 0.366
310 HA HIS 12 HA HIS 12 -8.745 -10.498 1.484
311 HB2 HIS 12 2HB HIS 12 -9.241 -9.279 -1.208
312 HB3 HIS 12 1HB HIS 12 -9.572 -10.972 -0.886
313 HD1 HIS 12 1HD HIS 12 -11.950 -11.398 -0.067
314 HD2 HIS 12 2HD HIS 12 -10.686 -7.512 0.618
315 HE1 HIS 12 1HE HIS 12 -13.944 -10.171 0.827
316 H VAL 13 H VAL 13 -6.795 -9.386 -1.232
317 HA VAL 13 HA VAL 13 -5.392 -11.948 -1.036
318 HB VAL 13 HB VAL 13 -4.712 -11.634 -3.415
319 HG11 VAL 13 1HG1 VAL 13 -6.922 -12.379 -4.323
320 HG12 VAL 13 2HG1 VAL 13 -7.680 -11.811 -2.833
321 HG13 VAL 13 3HG1 VAL 13 -6.541 -13.156 -2.783
322 HG21 VAL 13 3HG2 VAL 13 -6.084 -10.163 -4.853
323 HG22 VAL 13 1HG2 VAL 13 -5.122 -9.252 -3.689
324 HG23 VAL 13 2HG2 VAL 13 -6.846 -9.492 -3.410
325 H GLY 14 H GLY 14 -4.801 -8.599 -1.917
326 HA2 GLY 14 2HA GLY 14 -2.784 -7.896 -0.327
327 HA3 GLY 14 1HA GLY 14 -1.959 -8.956 -1.440
328 H CYS 15 H CYS 15 -1.118 -6.474 -1.336
329 HA CYS 15 HA CYS 15 -2.001 -5.394 -3.896
330 HB2 CYS 15 2HB CYS 15 -1.857 -3.128 -2.980
331 HB3 CYS 15 1HB CYS 15 -3.177 -4.066 -2.307
332 H THR 16 H THR 16 -0.421 -3.946 -4.822
333 HA THR 16 HA THR 16 2.200 -4.756 -4.022
334 HB THR 16 HB THR 16 2.811 -3.590 -6.239
335 HG1 THR 16 1HG THR 16 0.375 -4.168 -7.283
336 HG21 THR 16 3HG2 THR 16 2.166 -5.609 -7.530
337 HG22 THR 16 1HG2 THR 16 1.141 -6.110 -6.187
338 HG23 THR 16 2HG2 THR 16 2.894 -5.996 -5.975
339 H LYS 17 H LYS 17 3.772 -3.371 -3.661
340 HA LYS 17 HA LYS 17 3.154 -1.102 -1.982
341 HB2 LYS 17 2HB LYS 17 5.161 -2.692 -2.014
342 HB3 LYS 17 1HB LYS 17 5.834 -1.686 -3.279
343 HG2 LYS 17 2HG LYS 17 6.901 -1.016 -1.427
344 HG3 LYS 17 1HG LYS 17 5.629 0.214 -1.554
345 HD2 LYS 17 2HD LYS 17 4.409 -0.837 0.234
346 HD3 LYS 17 1HD LYS 17 5.470 -2.251 0.198
347 HE2 LYS 17 2HE LYS 17 7.368 -0.841 0.853
348 HE3 LYS 17 1HE LYS 17 6.325 0.564 0.927
349 HZ1 LYS 17 3HZ LYS 17 6.725 -0.311 3.087
350 HZ2 LYS 17 1HZ LYS 17 6.198 -1.843 2.668
351 HZ3 LYS 17 2HZ LYS 17 5.100 -0.567 2.771
352 H ARG 18 H ARG 18 4.215 -1.337 -5.345
353 HA ARG 18 HA ARG 18 4.405 1.457 -5.821
354 HB2 ARG 18 2HB ARG 18 3.588 -0.687 -7.786
355 HB3 ARG 18 1HB ARG 18 4.029 0.954 -8.208
356 HG2 ARG 18 2HG ARG 18 6.276 0.514 -7.283
357 HG3 ARG 18 1HG ARG 18 5.806 -1.170 -7.048
358 HD2 ARG 18 2HD ARG 18 5.976 0.352 -9.643
359 HD3 ARG 18 1HD ARG 18 7.023 -0.958 -9.107
360 HE ARG 18 HE ARG 18 4.327 -1.792 -9.182
361 HH11 ARG 18 1HH1 ARG 18 7.106 -1.178 -11.261
362 HH12 ARG 18 2HH1 ARG 18 6.525 -2.141 -12.541
363 HH21 ARG 18 1HH2 ARG 18 3.535 -3.099 -10.945
364 HH22 ARG 18 2HH2 ARG 18 4.452 -3.219 -12.377
365 H SER 19 H SER 19 1.734 -0.689 -5.516
366 HA SER 19 HA SER 19 -0.042 1.004 -6.915
367 HB2 SER 19 2HB SER 19 -0.294 -1.429 -6.867
368 HB3 SER 19 1HB SER 19 -0.678 -1.392 -5.164
369 HG SER 19 HG SER 19 -2.559 -1.409 -6.378
370 H LEU 20 H LEU 20 0.672 0.304 -3.497
371 HA LEU 20 HA LEU 20 -1.281 2.265 -2.642
372 HB2 LEU 20 2HB LEU 20 1.030 1.878 -0.695
373 HB3 LEU 20 1HB LEU 20 -0.631 2.150 -0.500
374 HG LEU 20 HG LEU 20 -1.145 -0.218 -1.110
375 HD11 LEU 20 1HD1 LEU 20 0.621 -1.826 -0.774
376 HD12 LEU 20 2HD1 LEU 20 1.787 -0.517 -0.596
377 HD13 LEU 20 3HD1 LEU 20 0.985 -0.782 -2.149
378 HD21 LEU 20 3HD2 LEU 20 -0.566 -1.015 1.116
379 HD22 LEU 20 1HD2 LEU 20 -1.242 0.618 1.152
380 HD23 LEU 20 2HD2 LEU 20 0.503 0.371 1.319
381 H ALA 21 H ALA 21 1.912 2.364 -3.644
382 HA ALA 21 HA ALA 21 2.443 5.049 -2.884
383 HB1 ALA 21 1HB ALA 21 4.357 4.966 -4.354
384 HB2 ALA 21 2HB ALA 21 3.708 3.544 -5.166
385 HB3 ALA 21 3HB ALA 21 4.229 3.436 -3.485
386 H ARG 22 H ARG 22 0.955 3.700 -5.741
387 HA ARG 22 HA ARG 22 1.027 6.218 -7.114
388 HB2 ARG 22 2HB ARG 22 -0.281 5.180 -8.880
389 HB3 ARG 22 1HB ARG 22 1.008 4.095 -8.385
390 HG2 ARG 22 2HG ARG 22 -0.637 2.847 -7.025
391 HG3 ARG 22 1HG ARG 22 -1.894 3.903 -7.644
392 HD2 ARG 22 2HD ARG 22 -1.423 3.186 -9.923
393 HD3 ARG 22 1HD ARG 22 -0.130 2.144 -9.334
394 HE ARG 22 HE ARG 22 -2.070 1.090 -7.984
395 HH11 ARG 22 1HH1 ARG 22 -2.250 2.225 -11.350
396 HH12 ARG 22 2HH1 ARG 22 -3.486 1.141 -11.786
397 HH21 ARG 22 1HH2 ARG 22 -3.744 -0.414 -8.626
398 HH22 ARG 22 2HH2 ARG 22 -4.337 -0.375 -10.229
399 H PHE 23 H PHE 23 -1.030 4.795 -4.858
400 HA PHE 23 HA PHE 23 -3.166 6.655 -5.550
401 HB2 PHE 23 2HB PHE 23 -3.151 4.300 -3.689
402 HB3 PHE 23 1HB PHE 23 -4.476 5.454 -3.732
403 HD1 PHE 23 1HD PHE 23 -5.350 5.924 -6.233
404 HD2 PHE 23 2HD PHE 23 -3.369 2.390 -4.954
405 HE1 PHE 23 1HE PHE 23 -6.348 4.684 -8.107
406 HE2 PHE 23 2HE PHE 23 -4.368 1.147 -6.812
407 HZ PHE 23 HZ PHE 23 -5.857 2.292 -8.395
408 H CYS 24 H CYS 24 -1.190 5.761 -2.896
409 HA CYS 24 HA CYS 24 -0.284 6.899 -1.179
410 HB2 CYS 24 2HB CYS 24 0.282 8.621 -2.905
411 HB3 CYS 24 1HB CYS 24 -1.242 9.427 -2.563
412 HN1 NH2 25 HT1 CYS 24 -1.651 6.019 0.276
413 HN2 NH2 25 HT2 CYS 24 -2.998 6.852 0.970
Start of MODEL 8
1 H1 ASP 1 1HT ASP 1 14.287 3.416 -2.608
2 H2 ASP 1 2HT ASP 1 15.015 2.060 -3.239
3 H3 ASP 1 3HT ASP 1 14.089 1.929 -1.838
4 HA ASP 1 HA ASP 1 12.097 2.592 -3.112
5 HB2 ASP 1 2HB ASP 1 14.010 2.487 -5.453
6 HB3 ASP 1 1HB ASP 1 12.258 2.479 -5.588
7 H SER 2 H SER 2 14.475 0.082 -3.127
8 HA SER 2 HA SER 2 13.054 -1.770 -4.675
9 HB2 SER 2 2HB SER 2 15.067 -2.291 -2.478
10 HB3 SER 2 1HB SER 2 14.597 -3.426 -3.746
11 HG SER 2 HG SER 2 15.722 -2.348 -5.181
12 H TRP 3 H TRP 3 12.483 -0.564 -1.806
13 HA TRP 3 HA TRP 3 10.959 -2.713 -0.605
14 HB2 TRP 3 2HB TRP 3 10.246 -0.965 1.051
15 HB3 TRP 3 1HB TRP 3 11.985 -1.169 0.930
16 HD1 TRP 3 HD TRP 3 13.369 0.986 0.515
17 HE1 TRP 3 1HE TRP 3 12.822 3.450 -0.052
18 HE3 TRP 3 3HE TRP 3 8.363 0.548 -0.341
19 HZ2 TRP 3 2HZ TRP 3 10.570 4.980 -0.762
20 HZ3 TRP 3 3HZ TRP 3 7.093 2.472 -0.977
21 HH2 TRP 3 HH TRP 3 8.163 4.710 -1.178
22 H MET 4 H MET 4 10.436 -0.572 -3.121
23 HA MET 4 HA MET 4 7.609 -0.202 -2.595
24 HB2 MET 4 2HB MET 4 8.973 1.740 -3.264
25 HB3 MET 4 1HB MET 4 9.353 0.931 -4.775
26 HG2 MET 4 2HG MET 4 7.045 1.019 -5.438
27 HG3 MET 4 1HG MET 4 6.599 1.741 -3.895
28 HE1 MET 4 3HE MET 4 9.301 3.873 -6.978
29 HE2 MET 4 1HE MET 4 8.740 2.215 -7.158
30 HE3 MET 4 2HE MET 4 9.910 2.624 -5.898
31 H GLU 5 H GLU 5 9.792 -1.830 -4.808
32 HA GLU 5 HA GLU 5 7.565 -3.012 -6.216
33 HB2 GLU 5 2HB GLU 5 10.494 -3.832 -6.195
34 HB3 GLU 5 1HB GLU 5 9.276 -4.506 -7.255
35 HG2 GLU 5 2HG GLU 5 10.591 -2.995 -8.532
36 HG3 GLU 5 1HG GLU 5 9.035 -2.219 -8.261
37 H GLU 6 H GLU 6 6.366 -3.894 -4.643
38 HA GLU 6 HA GLU 6 7.313 -6.244 -3.273
39 HB2 GLU 6 2HB GLU 6 8.038 -4.027 -1.986
40 HB3 GLU 6 1HB GLU 6 6.327 -3.919 -1.735
41 HG2 GLU 6 2HG GLU 6 6.191 -5.812 -0.402
42 HG3 GLU 6 1HG GLU 6 7.823 -6.329 -0.825
43 H VAL 7 H VAL 7 5.488 -7.092 -2.092
44 HA VAL 7 HA VAL 7 2.895 -5.952 -2.614
45 HB VAL 7 HB VAL 7 3.133 -7.498 -4.517
46 HG11 VAL 7 1HG1 VAL 7 3.444 -9.902 -4.225
47 HG12 VAL 7 2HG1 VAL 7 3.701 -9.647 -2.499
48 HG13 VAL 7 3HG1 VAL 7 4.835 -8.969 -3.670
49 HG21 VAL 7 3HG2 VAL 7 0.905 -7.359 -3.542
50 HG22 VAL 7 1HG2 VAL 7 1.293 -8.658 -2.417
51 HG23 VAL 7 2HG2 VAL 7 1.201 -8.988 -4.145
52 H ILE 8 H ILE 8 1.622 -6.111 -0.928
53 HA ILE 8 HA ILE 8 2.379 -7.962 1.181
54 HB ILE 8 HB ILE 8 2.031 -6.332 2.940
55 HG12 ILE 8 2HG1 ILE 8 0.412 -4.805 1.790
56 HG13 ILE 8 1HG1 ILE 8 1.696 -3.942 2.616
57 HG21 ILE 8 1HG2 ILE 8 4.278 -6.582 2.231
58 HG22 ILE 8 2HG2 ILE 8 3.990 -4.896 2.663
59 HG23 ILE 8 3HG2 ILE 8 4.064 -5.370 0.966
60 HD11 ILE 8 3HD1 ILE 8 2.803 -3.599 0.436
61 HD12 ILE 8 1HD1 ILE 8 1.187 -2.897 0.517
62 HD13 ILE 8 2HD1 ILE 8 1.445 -4.408 -0.349
63 H LYS 9 H LYS 9 0.597 -8.171 2.805
64 HA LYS 9 HA LYS 9 -1.988 -7.561 1.597
65 HB2 LYS 9 2HB LYS 9 -1.422 -9.975 1.297
66 HB3 LYS 9 1HB LYS 9 -1.278 -10.128 3.040
67 HG2 LYS 9 2HG LYS 9 -3.619 -9.738 3.337
68 HG3 LYS 9 1HG LYS 9 -3.815 -9.304 1.640
69 HD2 LYS 9 2HD LYS 9 -4.626 -11.553 1.982
70 HD3 LYS 9 1HD LYS 9 -3.155 -11.608 1.015
71 HE2 LYS 9 2HE LYS 9 -1.886 -12.148 3.090
72 HE3 LYS 9 1HE LYS 9 -3.418 -12.209 3.959
73 HZ1 LYS 9 3HZ LYS 9 -4.106 -13.997 2.369
74 HZ2 LYS 9 1HZ LYS 9 -2.781 -14.412 3.327
75 HZ3 LYS 9 2HZ LYS 9 -2.556 -13.966 1.733
76 H LEU 10 H LEU 10 -2.324 -5.830 2.814
77 HA LEU 10 HA LEU 10 -2.571 -6.168 5.735
78 HB2 LEU 10 2HB LEU 10 -1.464 -3.863 4.174
79 HB3 LEU 10 1HB LEU 10 -2.290 -3.576 5.675
80 HG LEU 10 HG LEU 10 -0.704 -4.896 6.885
81 HD11 LEU 10 1HD1 LEU 10 0.735 -5.196 4.247
82 HD12 LEU 10 2HD1 LEU 10 -0.018 -6.496 5.178
83 HD13 LEU 10 3HD1 LEU 10 1.401 -5.652 5.815
84 HD21 LEU 10 3HD2 LEU 10 0.623 -2.848 5.141
85 HD22 LEU 10 1HD2 LEU 10 1.245 -3.436 6.680
86 HD23 LEU 10 2HD2 LEU 10 -0.273 -2.536 6.624
87 H CYS 11 H CYS 11 -3.927 -4.294 6.574
88 HA CYS 11 HA CYS 11 -6.230 -3.802 4.837
89 HB2 CYS 11 2HB CYS 11 -6.316 -5.203 7.389
90 HB3 CYS 11 1HB CYS 11 -7.788 -4.811 6.491
91 H GLY 12 H GLY 12 -7.711 -2.356 5.868
92 HA2 GLY 12 2HA GLY 12 -8.349 -0.485 7.083
93 HA3 GLY 12 1HA GLY 12 -7.887 -1.484 8.430
94 H ARG 13 H ARG 13 -6.754 -0.529 9.727
95 HA ARG 13 HA ARG 13 -5.496 1.973 9.386
96 HB2 ARG 13 2HB ARG 13 -6.327 1.187 11.549
97 HB3 ARG 13 1HB ARG 13 -5.120 -0.090 11.559
98 HG2 ARG 13 2HG ARG 13 -3.361 1.681 11.568
99 HG3 ARG 13 1HG ARG 13 -4.650 2.874 11.754
100 HD2 ARG 13 2HD ARG 13 -3.682 2.295 13.922
101 HD3 ARG 13 1HD ARG 13 -5.365 1.770 13.816
102 HE ARG 13 HE ARG 13 -3.726 -0.339 12.977
103 HH11 ARG 13 1HH1 ARG 13 -4.415 1.353 16.006
104 HH12 ARG 13 2HH1 ARG 13 -4.101 -0.016 16.971
105 HH21 ARG 13 1HH2 ARG 13 -3.327 -2.103 14.211
106 HH22 ARG 13 2HH2 ARG 13 -3.443 -2.086 15.920
107 H GLU 14 H GLU 14 -4.232 -1.376 9.259
108 HA GLU 14 HA GLU 14 -1.512 -0.559 9.447
109 HB2 GLU 14 2HB GLU 14 -2.893 -3.122 8.666
110 HB3 GLU 14 1HB GLU 14 -1.154 -2.947 8.557
111 HG2 GLU 14 2HG GLU 14 -1.847 -4.100 10.605
112 HG3 GLU 14 1HG GLU 14 -1.010 -2.594 10.952
113 H LEU 15 H LEU 15 -3.833 -1.058 6.998
114 HA LEU 15 HA LEU 15 -2.143 -1.147 4.727
115 HB2 LEU 15 2HB LEU 15 -4.661 -1.659 5.058
116 HB3 LEU 15 1HB LEU 15 -4.875 0.056 4.800
117 HG LEU 15 HG LEU 15 -3.696 -0.246 2.595
118 HD11 LEU 15 1HD1 LEU 15 -2.594 -2.325 3.077
119 HD12 LEU 15 2HD1 LEU 15 -3.751 -2.598 1.762
120 HD13 LEU 15 3HD1 LEU 15 -4.142 -3.079 3.425
121 HD21 LEU 15 3HD2 LEU 15 -5.662 -1.143 1.514
122 HD22 LEU 15 1HD2 LEU 15 -6.127 -0.025 2.800
123 HD23 LEU 15 2HD2 LEU 15 -6.243 -1.769 3.062
124 H VAL 16 H VAL 16 -3.868 1.398 6.455
125 HA VAL 16 HA VAL 16 -3.050 3.558 4.766
126 HB VAL 16 HB VAL 16 -4.166 3.568 7.599
127 HG11 VAL 16 1HG1 VAL 16 -3.892 5.853 5.644
128 HG12 VAL 16 2HG1 VAL 16 -3.003 5.653 7.157
129 HG13 VAL 16 3HG1 VAL 16 -4.747 5.912 7.187
130 HG21 VAL 16 3HG2 VAL 16 -6.285 4.186 6.507
131 HG22 VAL 16 1HG2 VAL 16 -5.708 2.594 6.006
132 HG23 VAL 16 2HG2 VAL 16 -5.514 3.982 4.936
133 H ARG 17 H ARG 17 -1.884 2.171 7.742
134 HA ARG 17 HA ARG 17 0.158 3.996 8.276
135 HB2 ARG 17 2HB ARG 17 -0.041 1.051 8.845
136 HB3 ARG 17 1HB ARG 17 1.277 2.026 9.456
137 HG2 ARG 17 2HG ARG 17 -1.642 2.425 10.064
138 HG3 ARG 17 1HG ARG 17 -0.458 1.659 11.122
139 HD2 ARG 17 2HD ARG 17 0.803 3.740 11.222
140 HD3 ARG 17 1HD ARG 17 -0.363 4.513 10.152
141 HE ARG 17 HE ARG 17 -2.027 4.162 11.850
142 HH11 ARG 17 1HH1 ARG 17 1.392 4.154 12.837
143 HH12 ARG 17 2HH1 ARG 17 1.083 4.511 14.462
144 HH21 ARG 17 1HH2 ARG 17 -2.456 4.680 14.153
145 HH22 ARG 17 2HH2 ARG 17 -1.137 4.797 15.224
146 H ALA 18 H ALA 18 0.140 1.163 6.261
147 HA ALA 18 HA ALA 18 2.850 1.303 5.454
148 HB1 ALA 18 1HB ALA 18 2.201 -0.164 3.594
149 HB2 ALA 18 2HB ALA 18 0.500 0.150 3.938
150 HB3 ALA 18 3HB ALA 18 1.492 -0.716 5.111
151 H GLN 19 H GLN 19 -0.122 2.546 4.059
152 HA GLN 19 HA GLN 19 0.766 3.798 1.765
153 HB2 GLN 19 2HB GLN 19 -1.377 4.496 3.721
154 HB3 GLN 19 1HB GLN 19 -1.230 5.395 2.241
155 HG2 GLN 19 2HG GLN 19 -1.446 3.230 1.035
156 HG3 GLN 19 1HG GLN 19 -1.744 2.452 2.588
157 HE21 GLN 19 1HE2 GLN 19 -3.333 2.532 0.279
158 HE22 GLN 19 2HE2 GLN 19 -4.846 3.231 0.681
159 H ILE 20 H ILE 20 0.175 5.353 4.869
160 HA ILE 20 HA ILE 20 1.316 7.845 4.435
161 HB ILE 20 HB ILE 20 1.148 6.261 7.015
162 HG12 ILE 20 2HG1 ILE 20 -0.607 8.470 5.923
163 HG13 ILE 20 1HG1 ILE 20 -1.000 6.755 5.913
164 HG21 ILE 20 1HG2 ILE 20 1.418 8.377 8.222
165 HG22 ILE 20 2HG2 ILE 20 1.708 9.209 6.696
166 HG23 ILE 20 3HG2 ILE 20 2.853 7.995 7.268
167 HD11 ILE 20 3HD1 ILE 20 -0.996 6.753 8.361
168 HD12 ILE 20 1HD1 ILE 20 -2.151 7.910 7.699
169 HD13 ILE 20 2HD1 ILE 20 -0.613 8.475 8.352
170 H ALA 21 H ALA 21 2.892 4.862 5.383
171 HA ALA 21 HA ALA 21 5.417 5.993 5.975
172 HB1 ALA 21 1HB ALA 21 4.714 3.171 5.200
173 HB2 ALA 21 2HB ALA 21 4.752 3.813 6.842
174 HB3 ALA 21 3HB ALA 21 6.245 3.685 5.907
175 H ILE 22 H ILE 22 3.894 5.003 3.031
176 HA ILE 22 HA ILE 22 6.349 5.149 1.470
177 HB ILE 22 HB ILE 22 3.461 4.852 0.578
178 HG12 ILE 22 2HG1 ILE 22 5.576 2.706 0.814
179 HG13 ILE 22 1HG1 ILE 22 4.306 2.980 2.002
180 HG21 ILE 22 1HG2 ILE 22 4.405 4.069 -1.535
181 HG22 ILE 22 2HG2 ILE 22 6.030 4.410 -0.940
182 HG23 ILE 22 3HG2 ILE 22 4.885 5.730 -1.188
183 HD11 ILE 22 3HD1 ILE 22 3.897 2.205 -0.878
184 HD12 ILE 22 1HD1 ILE 22 2.625 2.512 0.304
185 HD13 ILE 22 2HD1 ILE 22 3.723 1.154 0.531
186 H CYS 23 H CYS 23 3.566 7.087 2.275
187 HA CYS 23 HA CYS 23 3.849 8.992 0.174
188 HB2 CYS 23 2HB CYS 23 2.401 8.991 2.776
189 HB3 CYS 23 1HB CYS 23 2.363 10.356 1.677
190 H GLY 24 H GLY 24 5.114 8.696 3.338
191 HA2 GLY 24 2HA GLY 24 6.634 11.162 2.886
192 HA3 GLY 24 1HA GLY 24 6.378 10.418 4.474
193 H MET 25 H MET 25 7.554 8.813 5.102
194 HA MET 25 HA MET 25 8.862 6.929 3.611
195 HB2 MET 25 2HB MET 25 10.392 8.688 2.854
196 HB3 MET 25 1HB MET 25 10.799 9.076 4.525
197 HG2 MET 25 2HG MET 25 12.541 7.720 3.512
198 HG3 MET 25 1HG MET 25 11.740 6.839 4.805
199 HE1 MET 25 3HE MET 25 12.874 4.602 3.870
200 HE2 MET 25 1HE MET 25 13.615 5.518 2.557
201 HE3 MET 25 2HE MET 25 12.706 4.049 2.202
202 H SER 26 H SER 26 8.010 5.721 5.124
203 HA SER 26 HA SER 26 9.607 5.602 7.557
204 HB2 SER 26 2HB SER 26 7.495 6.769 8.173
205 HB3 SER 26 1HB SER 26 6.572 5.410 7.541
206 HG SER 26 HG SER 26 7.875 4.149 9.090
207 H THR 27 H THR 27 9.094 4.191 4.876
208 HA THR 27 HA THR 27 8.326 1.547 5.563
209 HB THR 27 HB THR 27 10.090 2.423 3.262
210 HG1 THR 27 1HG THR 27 7.243 2.280 3.325
211 HG21 THR 27 3HG2 THR 27 9.091 0.512 2.108
212 HG22 THR 27 1HG2 THR 27 8.117 0.150 3.530
213 HG23 THR 27 2HG2 THR 27 9.872 -0.015 3.600
214 H TRP 28 H TRP 28 11.034 3.357 5.433
215 HA TRP 28 HA TRP 28 12.678 1.728 7.128
216 HB2 TRP 28 2HB TRP 28 13.596 2.429 4.306
217 HB3 TRP 28 1HB TRP 28 14.656 1.857 5.583
218 HD1 TRP 28 HD TRP 28 12.645 0.645 2.750
219 HE1 TRP 28 1HE TRP 28 12.436 -1.923 2.808
220 HE3 TRP 28 3HE TRP 28 14.326 -0.211 7.497
221 HZ2 TRP 28 2HZ TRP 28 12.909 -4.016 4.614
222 HZ3 TRP 28 3HZ TRP 28 14.407 -2.528 8.313
223 HH2 TRP 28 HH TRP 28 13.715 -4.388 6.905
224 H SER 29 H SER 29 14.877 3.127 7.284
225 HA SER 29 HA SER 29 14.004 5.740 8.022
226 HB2 SER 29 2HB SER 29 16.792 4.586 7.982
227 HB3 SER 29 1HB SER 29 16.239 5.984 8.906
228 HG SER 29 HG SER 29 16.268 4.212 10.241
229 HN1 NH2 30 HT1 SER 29 13.575 6.999 6.333
230 HN2 NH2 30 HT2 SER 29 14.643 7.354 5.009
231 HA PCA 1 HA PCA 1 -13.661 4.189 -5.299
232 HB2 PCA 1 2HB PCA 1 -14.173 1.577 -6.247
233 HB3 PCA 1 1HB PCA 1 -15.412 2.816 -5.906
234 HG2 PCA 1 2HG PCA 1 -14.482 1.816 -8.485
235 HG3 PCA 1 1HG PCA 1 -15.820 2.967 -8.152
236 H LEU 2 H LEU 2 -11.262 4.283 -6.759
237 HA LEU 2 HA LEU 2 -9.799 1.793 -6.567
238 HB2 LEU 2 2HB LEU 2 -8.792 4.584 -6.999
239 HB3 LEU 2 1HB LEU 2 -7.798 3.142 -7.070
240 HG LEU 2 HG LEU 2 -10.112 3.754 -8.916
241 HD11 LEU 2 1HD1 LEU 2 -7.148 3.778 -9.434
242 HD12 LEU 2 2HD1 LEU 2 -8.180 5.201 -9.299
243 HD13 LEU 2 3HD1 LEU 2 -8.416 4.062 -10.625
244 HD21 LEU 2 3HD2 LEU 2 -9.859 1.356 -8.592
245 HD22 LEU 2 1HD2 LEU 2 -8.127 1.478 -8.914
246 HD23 LEU 2 2HD2 LEU 2 -9.288 1.815 -10.192
247 H TYR 3 H TYR 3 -10.282 4.322 -4.357
248 HA TYR 3 HA TYR 3 -8.139 3.425 -2.711
249 HB2 TYR 3 2HB TYR 3 -9.552 5.730 -2.798
250 HB3 TYR 3 1HB TYR 3 -10.311 4.928 -1.416
251 HD1 TYR 3 1HD TYR 3 -7.024 5.709 -2.855
252 HD2 TYR 3 2HD TYR 3 -9.281 5.059 0.673
253 HE1 TYR 3 1HE TYR 3 -5.100 6.289 -1.581
254 HE2 TYR 3 2HE TYR 3 -7.336 5.660 2.033
255 HH TYR 3 HH TYR 3 -4.823 5.670 1.749
256 H SER 4 H SER 4 -11.623 2.930 -2.800
257 HA SER 4 HA SER 4 -11.733 1.247 -0.518
258 HB2 SER 4 2HB SER 4 -13.629 1.455 -2.875
259 HB3 SER 4 1HB SER 4 -13.988 0.687 -1.328
260 HG SER 4 HG SER 4 -14.480 2.527 -0.596
261 H ALA 5 H ALA 5 -11.346 0.755 -3.985
262 HA ALA 5 HA ALA 5 -11.474 -2.022 -4.060
263 HB1 ALA 5 1HB ALA 5 -10.256 -1.868 -6.169
264 HB2 ALA 5 2HB ALA 5 -9.779 -0.216 -5.789
265 HB3 ALA 5 3HB ALA 5 -11.478 -0.597 -6.080
266 H LEU 6 H LEU 6 -8.639 0.105 -3.758
267 HA LEU 6 HA LEU 6 -6.706 -1.872 -3.436
268 HB2 LEU 6 2HB LEU 6 -6.210 0.519 -3.792
269 HB3 LEU 6 1HB LEU 6 -6.826 0.889 -2.199
270 HG LEU 6 HG LEU 6 -4.969 -0.455 -1.219
271 HD11 LEU 6 1HD1 LEU 6 -4.034 -0.558 -4.066
272 HD12 LEU 6 2HD1 LEU 6 -4.508 -1.929 -3.058
273 HD13 LEU 6 3HD1 LEU 6 -3.061 -1.000 -2.664
274 HD21 LEU 6 3HD2 LEU 6 -4.170 1.815 -3.033
275 HD22 LEU 6 1HD2 LEU 6 -3.205 1.206 -1.688
276 HD23 LEU 6 2HD2 LEU 6 -4.768 1.956 -1.382
277 H ALA 7 H ALA 7 -8.760 -0.297 -1.025
278 HA ALA 7 HA ALA 7 -7.654 -1.420 1.280
279 HB1 ALA 7 1HB ALA 7 -10.543 -0.687 0.802
280 HB2 ALA 7 2HB ALA 7 -9.277 0.426 1.318
281 HB3 ALA 7 3HB ALA 7 -9.773 -0.896 2.374
282 H ASN 8 H ASN 8 -10.416 -2.536 -0.605
283 HA ASN 8 HA ASN 8 -10.754 -4.936 0.870
284 HB2 ASN 8 2HB ASN 8 -11.736 -4.148 -1.879
285 HB3 ASN 8 1HB ASN 8 -12.099 -5.705 -1.152
286 HD21 ASN 8 1HD2 ASN 8 -12.692 -2.287 -1.035
287 HD22 ASN 8 2HD2 ASN 8 -14.061 -2.350 -0.008
288 H LYS 9 H LYS 9 -9.336 -4.350 -2.317
289 HA LYS 9 HA LYS 9 -8.666 -6.977 -2.901
290 HB2 LYS 9 2HB LYS 9 -7.499 -4.382 -3.795
291 HB3 LYS 9 1HB LYS 9 -6.946 -5.883 -4.484
292 HG2 LYS 9 2HG LYS 9 -9.282 -6.335 -5.205
293 HG3 LYS 9 1HG LYS 9 -9.755 -4.765 -4.554
294 HD2 LYS 9 2HD LYS 9 -9.444 -4.527 -6.914
295 HD3 LYS 9 1HD LYS 9 -8.097 -3.725 -6.111
296 HE2 LYS 9 2HE LYS 9 -7.286 -5.000 -8.003
297 HE3 LYS 9 1HE LYS 9 -6.703 -5.724 -6.511
298 HZ1 LYS 9 3HZ LYS 9 -8.456 -7.417 -6.715
299 HZ2 LYS 9 1HZ LYS 9 -7.492 -7.375 -8.097
300 HZ3 LYS 9 2HZ LYS 9 -9.009 -6.669 -8.112
301 H CYS 10 H CYS 10 -6.678 -4.557 -1.240
302 HA CYS 10 HA CYS 10 -4.415 -6.325 -1.100
303 HB2 CYS 10 2HB CYS 10 -4.444 -3.744 -0.978
304 HB3 CYS 10 1HB CYS 10 -4.957 -3.971 0.684
305 H CYS 11 H CYS 11 -7.261 -5.777 0.873
306 HA CYS 11 HA CYS 11 -6.174 -7.116 3.134
307 HB2 CYS 11 2HB CYS 11 -8.170 -5.460 3.067
308 HB3 CYS 11 1HB CYS 11 -9.096 -6.839 2.524
309 H HIS 12 H HIS 12 -8.019 -8.090 0.290
310 HA HIS 12 HA HIS 12 -8.424 -10.785 1.321
311 HB2 HIS 12 2HB HIS 12 -9.054 -9.591 -1.375
312 HB3 HIS 12 1HB HIS 12 -9.395 -11.254 -0.948
313 HD1 HIS 12 1HD HIS 12 -11.727 -11.602 0.126
314 HD2 HIS 12 2HD HIS 12 -10.354 -7.738 0.137
315 HE1 HIS 12 1HE HIS 12 -13.658 -10.236 1.000
316 H VAL 13 H VAL 13 -6.833 -9.350 -1.428
317 HA VAL 13 HA VAL 13 -5.419 -11.860 -1.827
318 HB VAL 13 HB VAL 13 -6.990 -10.359 -3.446
319 HG11 VAL 13 1HG1 VAL 13 -5.501 -8.633 -3.903
320 HG12 VAL 13 2HG1 VAL 13 -5.705 -9.594 -5.368
321 HG13 VAL 13 3HG1 VAL 13 -4.233 -9.756 -4.401
322 HG21 VAL 13 3HG2 VAL 13 -6.688 -12.614 -3.669
323 HG22 VAL 13 1HG2 VAL 13 -5.004 -12.451 -4.199
324 HG23 VAL 13 2HG2 VAL 13 -6.334 -11.858 -5.226
325 H GLY 14 H GLY 14 -4.949 -8.393 -1.671
326 HA2 GLY 14 2HA GLY 14 -2.872 -7.738 -0.409
327 HA3 GLY 14 1HA GLY 14 -2.041 -8.843 -1.480
328 H CYS 15 H CYS 15 -1.149 -6.336 -1.419
329 HA CYS 15 HA CYS 15 -1.910 -5.392 -4.058
330 HB2 CYS 15 2HB CYS 15 -1.962 -3.085 -3.264
331 HB3 CYS 15 1HB CYS 15 -3.258 -4.062 -2.603
332 H THR 16 H THR 16 -0.329 -3.946 -4.932
333 HA THR 16 HA THR 16 2.281 -4.641 -4.021
334 HB THR 16 HB THR 16 2.958 -3.324 -6.104
335 HG1 THR 16 1HG THR 16 0.468 -3.727 -7.204
336 HG21 THR 16 3HG2 THR 16 2.364 -5.180 -7.615
337 HG22 THR 16 1HG2 THR 16 1.201 -5.767 -6.424
338 HG23 THR 16 2HG2 THR 16 2.927 -5.766 -6.052
339 H LYS 17 H LYS 17 3.739 -3.235 -3.405
340 HA LYS 17 HA LYS 17 2.939 -0.981 -1.785
341 HB2 LYS 17 2HB LYS 17 5.097 -2.568 -1.906
342 HB3 LYS 17 1HB LYS 17 5.801 -1.210 -2.744
343 HG2 LYS 17 2HG LYS 17 6.432 -1.033 -0.535
344 HG3 LYS 17 1HG LYS 17 5.148 0.168 -0.732
345 HD2 LYS 17 2HD LYS 17 3.561 -1.278 0.341
346 HD3 LYS 17 1HD LYS 17 4.702 -2.623 0.312
347 HE2 LYS 17 2HE LYS 17 5.063 -0.063 1.840
348 HE3 LYS 17 1HE LYS 17 4.524 -1.592 2.537
349 HZ1 LYS 17 3HZ LYS 17 6.862 -1.337 2.924
350 HZ2 LYS 17 1HZ LYS 17 7.176 -1.078 1.275
351 HZ3 LYS 17 2HZ LYS 17 6.647 -2.575 1.787
352 H ARG 18 H ARG 18 4.257 -1.302 -5.011
353 HA ARG 18 HA ARG 18 4.456 1.368 -5.771
354 HB2 ARG 18 2HB ARG 18 3.963 -1.176 -7.204
355 HB3 ARG 18 1HB ARG 18 3.596 0.308 -8.061
356 HG2 ARG 18 2HG ARG 18 6.265 -0.427 -6.883
357 HG3 ARG 18 1HG ARG 18 5.816 -0.539 -8.587
358 HD2 ARG 18 2HD ARG 18 6.039 1.976 -6.918
359 HD3 ARG 18 1HD ARG 18 7.025 1.500 -8.295
360 HE ARG 18 HE ARG 18 4.719 1.614 -9.487
361 HH11 ARG 18 1HH1 ARG 18 5.968 3.887 -7.045
362 HH12 ARG 18 2HH1 ARG 18 5.113 5.228 -7.637
363 HH21 ARG 18 1HH2 ARG 18 3.532 3.467 -10.297
364 HH22 ARG 18 2HH2 ARG 18 3.703 4.990 -9.537
365 H SER 19 H SER 19 1.650 -0.633 -5.347
366 HA SER 19 HA SER 19 -0.108 1.025 -6.837
367 HB2 SER 19 2HB SER 19 -0.549 -1.350 -6.624
368 HB3 SER 19 1HB SER 19 -0.644 -1.251 -4.883
369 HG SER 19 HG SER 19 -2.665 -0.758 -5.134
370 H LEU 20 H LEU 20 0.548 0.485 -3.378
371 HA LEU 20 HA LEU 20 -1.331 2.520 -2.659
372 HB2 LEU 20 2HB LEU 20 0.890 1.934 -0.666
373 HB3 LEU 20 1HB LEU 20 -0.750 2.395 -0.460
374 HG LEU 20 HG LEU 20 -1.435 0.065 -1.210
375 HD11 LEU 20 1HD1 LEU 20 0.740 -0.610 -2.095
376 HD12 LEU 20 2HD1 LEU 20 0.164 -1.663 -0.813
377 HD13 LEU 20 3HD1 LEU 20 1.414 -0.466 -0.469
378 HD21 LEU 20 3HD2 LEU 20 -1.109 -0.822 1.025
379 HD22 LEU 20 1HD2 LEU 20 -1.626 0.871 1.080
380 HD23 LEU 20 2HD2 LEU 20 0.075 0.441 1.345
381 H ALA 21 H ALA 21 1.898 2.483 -3.554
382 HA ALA 21 HA ALA 21 2.579 5.145 -2.779
383 HB1 ALA 21 1HB ALA 21 3.715 3.593 -5.106
384 HB2 ALA 21 2HB ALA 21 4.273 3.430 -3.449
385 HB3 ALA 21 3HB ALA 21 4.467 4.969 -4.297
386 H ARG 22 H ARG 22 1.163 3.782 -5.639
387 HA ARG 22 HA ARG 22 1.197 6.105 -7.246
388 HB2 ARG 22 2HB ARG 22 0.987 3.862 -8.182
389 HB3 ARG 22 1HB ARG 22 -0.538 3.632 -7.349
390 HG2 ARG 22 2HG ARG 22 -0.952 4.075 -9.677
391 HG3 ARG 22 1HG ARG 22 -1.511 5.427 -8.683
392 HD2 ARG 22 2HD ARG 22 0.464 6.709 -9.252
393 HD3 ARG 22 1HD ARG 22 1.121 5.350 -10.168
394 HE ARG 22 HE ARG 22 -1.426 6.028 -11.113
395 HH11 ARG 22 1HH1 ARG 22 1.911 7.296 -11.209
396 HH12 ARG 22 2HH1 ARG 22 1.669 8.095 -12.692
397 HH21 ARG 22 1HH2 ARG 22 -1.677 7.109 -13.172
398 HH22 ARG 22 2HH2 ARG 22 -0.363 7.981 -13.818
399 H PHE 23 H PHE 23 -0.891 4.956 -4.803
400 HA PHE 23 HA PHE 23 -2.912 6.952 -5.501
401 HB2 PHE 23 2HB PHE 23 -3.027 4.716 -3.492
402 HB3 PHE 23 1HB PHE 23 -4.306 5.905 -3.706
403 HD1 PHE 23 2HD PHE 23 -5.030 6.180 -6.268
404 HD2 PHE 23 1HD PHE 23 -3.263 2.712 -4.577
405 HE1 PHE 23 2HE PHE 23 -5.955 4.830 -8.087
406 HE2 PHE 23 1HE PHE 23 -4.185 1.344 -6.392
407 HZ PHE 23 HZ PHE 23 -5.535 2.400 -8.159
408 H CYS 24 H CYS 24 -1.037 5.971 -2.792
409 HA CYS 24 HA CYS 24 -0.245 6.984 -0.969
410 HB2 CYS 24 2HB CYS 24 0.700 8.672 -2.491
411 HB3 CYS 24 1HB CYS 24 -0.814 9.568 -2.449
412 HN1 NH2 25 HT1 CYS 24 -1.591 6.383 0.532
413 HN2 NH2 25 HT2 CYS 24 -3.047 7.199 0.986
Start of MODEL 9
1 H1 ASP 1 1HT ASP 1 15.524 1.749 -3.601
2 H2 ASP 1 2HT ASP 1 14.421 1.857 -2.338
3 H3 ASP 1 3HT ASP 1 14.941 3.260 -3.144
4 HA ASP 1 HA ASP 1 12.761 2.761 -3.940
5 HB2 ASP 1 2HB ASP 1 13.150 2.377 -6.210
6 HB3 ASP 1 1HB ASP 1 14.401 3.533 -5.659
7 H SER 2 H SER 2 14.823 0.009 -3.660
8 HA SER 2 HA SER 2 13.412 -1.908 -4.989
9 HB2 SER 2 2HB SER 2 15.002 -2.248 -2.449
10 HB3 SER 2 1HB SER 2 14.524 -3.570 -3.516
11 HG SER 2 HG SER 2 15.678 -2.594 -5.167
12 H TRP 3 H TRP 3 12.422 -0.408 -2.321
13 HA TRP 3 HA TRP 3 10.510 -2.278 -1.290
14 HB2 TRP 3 2HB TRP 3 9.355 -0.247 -0.264
15 HB3 TRP 3 1HB TRP 3 11.022 -0.502 0.213
16 HD1 TRP 3 HD TRP 3 12.552 1.578 0.030
17 HE1 TRP 3 1HE TRP 3 12.393 3.894 -1.086
18 HE3 TRP 3 3HE TRP 3 8.181 0.998 -2.518
19 HZ2 TRP 3 2HZ TRP 3 10.684 5.283 -2.775
20 HZ3 TRP 3 3HZ TRP 3 7.357 2.824 -3.845
21 HH2 TRP 3 HH TRP 3 8.577 4.963 -3.991
22 H MET 4 H MET 4 10.569 -0.594 -4.171
23 HA MET 4 HA MET 4 7.823 -0.056 -4.563
24 HB2 MET 4 2HB MET 4 8.360 0.243 -6.918
25 HB3 MET 4 1HB MET 4 9.594 0.998 -5.926
26 HG2 MET 4 2HG MET 4 11.062 -0.931 -6.307
27 HG3 MET 4 1HG MET 4 9.801 -1.657 -7.303
28 HE1 MET 4 3HE MET 4 11.546 -1.993 -9.231
29 HE2 MET 4 1HE MET 4 12.806 -1.246 -8.249
30 HE3 MET 4 2HE MET 4 12.535 -0.698 -9.906
31 H GLU 5 H GLU 5 9.746 -2.922 -4.905
32 HA GLU 5 HA GLU 5 7.660 -4.289 -6.407
33 HB2 GLU 5 2HB GLU 5 10.448 -5.204 -5.648
34 HB3 GLU 5 1HB GLU 5 9.333 -6.087 -6.679
35 HG2 GLU 5 2HG GLU 5 9.385 -4.148 -8.265
36 HG3 GLU 5 1HG GLU 5 10.628 -3.436 -7.242
37 H GLU 6 H GLU 6 7.653 -3.490 -3.484
38 HA GLU 6 HA GLU 6 7.632 -5.969 -2.053
39 HB2 GLU 6 2HB GLU 6 8.229 -3.438 -1.258
40 HB3 GLU 6 1HB GLU 6 6.497 -3.432 -1.140
41 HG2 GLU 6 2HG GLU 6 6.398 -5.094 0.499
42 HG3 GLU 6 1HG GLU 6 8.113 -5.466 0.327
43 H VAL 7 H VAL 7 5.822 -6.693 -1.275
44 HA VAL 7 HA VAL 7 3.212 -5.682 -2.043
45 HB VAL 7 HB VAL 7 3.634 -7.140 -3.960
46 HG11 VAL 7 1HG1 VAL 7 4.178 -9.350 -1.997
47 HG12 VAL 7 2HG1 VAL 7 5.347 -8.571 -3.066
48 HG13 VAL 7 3HG1 VAL 7 4.042 -9.545 -3.745
49 HG21 VAL 7 3HG2 VAL 7 1.333 -7.156 -3.143
50 HG22 VAL 7 1HG2 VAL 7 1.710 -8.480 -2.048
51 HG23 VAL 7 2HG2 VAL 7 1.754 -8.741 -3.789
52 H ILE 8 H ILE 8 1.854 -5.805 -0.457
53 HA ILE 8 HA ILE 8 2.449 -7.751 1.633
54 HB ILE 8 HB ILE 8 1.980 -6.208 3.410
55 HG12 ILE 8 2HG1 ILE 8 0.399 -4.662 2.204
56 HG13 ILE 8 1HG1 ILE 8 1.596 -3.825 3.175
57 HG21 ILE 8 1HG2 ILE 8 3.931 -4.742 3.298
58 HG22 ILE 8 2HG2 ILE 8 4.085 -5.124 1.583
59 HG23 ILE 8 3HG2 ILE 8 4.260 -6.399 2.788
60 HD11 ILE 8 3HD1 ILE 8 1.594 -4.128 0.174
61 HD12 ILE 8 1HD1 ILE 8 2.874 -3.354 1.115
62 HD13 ILE 8 2HD1 ILE 8 1.254 -2.670 1.107
63 H LYS 9 H LYS 9 0.684 -8.213 3.067
64 HA LYS 9 HA LYS 9 -1.909 -7.830 1.750
65 HB2 LYS 9 2HB LYS 9 -1.029 -10.201 1.732
66 HB3 LYS 9 1HB LYS 9 -1.089 -10.174 3.485
67 HG2 LYS 9 2HG LYS 9 -3.531 -9.807 3.367
68 HG3 LYS 9 1HG LYS 9 -3.436 -9.924 1.609
69 HD2 LYS 9 2HD LYS 9 -2.425 -12.194 1.895
70 HD3 LYS 9 1HD LYS 9 -2.757 -12.063 3.621
71 HE2 LYS 9 2HE LYS 9 -4.801 -11.986 1.403
72 HE3 LYS 9 1HE LYS 9 -4.482 -13.349 2.467
73 HZ1 LYS 9 3HZ LYS 9 -6.421 -12.143 3.171
74 HZ2 LYS 9 1HZ LYS 9 -5.557 -10.699 3.330
75 HZ3 LYS 9 2HZ LYS 9 -5.231 -12.018 4.335
76 H LEU 10 H LEU 10 -1.948 -5.896 2.960
77 HA LEU 10 HA LEU 10 -2.556 -6.227 5.819
78 HB2 LEU 10 2HB LEU 10 -1.241 -4.003 4.323
79 HB3 LEU 10 1HB LEU 10 -2.216 -3.626 5.712
80 HG LEU 10 HG LEU 10 -0.796 -4.887 7.164
81 HD11 LEU 10 1HD1 LEU 10 0.810 -5.504 4.702
82 HD12 LEU 10 2HD1 LEU 10 -0.111 -6.682 5.639
83 HD13 LEU 10 3HD1 LEU 10 1.317 -5.906 6.341
84 HD21 LEU 10 3HD2 LEU 10 0.870 -3.154 5.364
85 HD22 LEU 10 1HD2 LEU 10 1.216 -3.554 7.040
86 HD23 LEU 10 2HD2 LEU 10 -0.191 -2.558 6.634
87 H CYS 11 H CYS 11 -3.944 -4.324 6.484
88 HA CYS 11 HA CYS 11 -6.007 -3.754 4.550
89 HB2 CYS 11 2HB CYS 11 -6.462 -5.972 5.128
90 HB3 CYS 11 1HB CYS 11 -6.467 -5.643 6.865
91 H GLY 12 H GLY 12 -7.661 -2.555 5.526
92 HA2 GLY 12 2HA GLY 12 -8.362 -0.567 6.620
93 HA3 GLY 12 1HA GLY 12 -7.927 -1.489 8.032
94 H ARG 13 H ARG 13 -6.844 -0.418 9.305
95 HA ARG 13 HA ARG 13 -5.543 2.051 8.773
96 HB2 ARG 13 2HB ARG 13 -5.479 0.313 11.231
97 HB3 ARG 13 1HB ARG 13 -4.851 1.953 11.148
98 HG2 ARG 13 2HG ARG 13 -7.039 2.827 10.714
99 HG3 ARG 13 1HG ARG 13 -7.704 1.199 10.594
100 HD2 ARG 13 2HD ARG 13 -8.243 2.145 12.734
101 HD3 ARG 13 1HD ARG 13 -7.111 0.814 12.946
102 HE ARG 13 HE ARG 13 -5.694 3.240 12.785
103 HH11 ARG 13 1HH1 ARG 13 -7.778 1.426 14.987
104 HH12 ARG 13 2HH1 ARG 13 -7.211 2.214 16.384
105 HH21 ARG 13 1HH2 ARG 13 -4.974 4.359 14.694
106 HH22 ARG 13 2HH2 ARG 13 -5.612 3.929 16.219
107 H GLU 14 H GLU 14 -4.440 -1.244 8.824
108 HA GLU 14 HA GLU 14 -1.712 -0.550 9.156
109 HB2 GLU 14 2HB GLU 14 -3.028 -3.031 8.121
110 HB3 GLU 14 1HB GLU 14 -1.292 -2.853 8.291
111 HG2 GLU 14 2HG GLU 14 -1.750 -2.313 10.728
112 HG3 GLU 14 1HG GLU 14 -3.392 -2.884 10.428
113 H LEU 15 H LEU 15 -3.868 -0.925 6.488
114 HA LEU 15 HA LEU 15 -1.948 -0.679 4.399
115 HB2 LEU 15 2HB LEU 15 -4.787 0.331 4.455
116 HB3 LEU 15 1HB LEU 15 -3.769 0.333 3.033
117 HG LEU 15 HG LEU 15 -4.749 -2.085 4.516
118 HD11 LEU 15 1HD1 LEU 15 -6.479 -0.927 3.235
119 HD12 LEU 15 2HD1 LEU 15 -6.053 -2.465 2.483
120 HD13 LEU 15 3HD1 LEU 15 -5.442 -0.953 1.809
121 HD21 LEU 15 3HD2 LEU 15 -3.776 -3.353 2.771
122 HD22 LEU 15 1HD2 LEU 15 -2.529 -2.409 3.559
123 HD23 LEU 15 2HD2 LEU 15 -3.140 -1.904 1.970
124 H VAL 16 H VAL 16 -3.732 1.664 6.267
125 HA VAL 16 HA VAL 16 -2.726 3.996 5.005
126 HB VAL 16 HB VAL 16 -3.487 3.720 7.932
127 HG11 VAL 16 1HG1 VAL 16 -4.081 6.093 7.785
128 HG12 VAL 16 2HG1 VAL 16 -3.510 6.125 6.117
129 HG13 VAL 16 3HG1 VAL 16 -2.375 5.819 7.430
130 HG21 VAL 16 3HG2 VAL 16 -5.756 4.379 7.266
131 HG22 VAL 16 1HG2 VAL 16 -5.278 2.843 6.542
132 HG23 VAL 16 2HG2 VAL 16 -5.268 4.313 5.571
133 H ARG 17 H ARG 17 -1.536 2.132 7.719
134 HA ARG 17 HA ARG 17 0.696 3.634 8.498
135 HB2 ARG 17 2HB ARG 17 -0.312 1.414 9.424
136 HB3 ARG 17 1HB ARG 17 0.710 0.667 8.261
137 HG2 ARG 17 2HG ARG 17 2.721 1.610 9.201
138 HG3 ARG 17 1HG ARG 17 1.778 2.452 10.433
139 HD2 ARG 17 2HD ARG 17 0.996 0.299 11.297
140 HD3 ARG 17 1HD ARG 17 1.935 -0.538 10.061
141 HE ARG 17 HE ARG 17 3.589 1.177 11.589
142 HH11 ARG 17 1HH1 ARG 17 1.944 -1.947 11.787
143 HH12 ARG 17 2HH1 ARG 17 3.024 -2.614 12.909
144 HH21 ARG 17 1HH2 ARG 17 5.063 0.285 13.125
145 HH22 ARG 17 2HH2 ARG 17 4.858 -1.302 13.707
146 H ALA 18 H ALA 18 0.457 0.974 6.340
147 HA ALA 18 HA ALA 18 3.073 0.969 5.263
148 HB1 ALA 18 1HB ALA 18 2.215 -0.465 3.479
149 HB2 ALA 18 2HB ALA 18 0.564 -0.018 3.907
150 HB3 ALA 18 3HB ALA 18 1.549 -0.939 5.041
151 H GLN 19 H GLN 19 0.179 2.596 4.124
152 HA GLN 19 HA GLN 19 1.158 3.688 1.745
153 HB2 GLN 19 2HB GLN 19 -0.952 4.365 3.690
154 HB3 GLN 19 1HB GLN 19 -0.697 5.499 2.404
155 HG2 GLN 19 2HG GLN 19 -1.150 3.726 0.794
156 HG3 GLN 19 1HG GLN 19 -1.300 2.554 2.112
157 HE21 GLN 19 1HE2 GLN 19 -3.237 3.232 0.097
158 HE22 GLN 19 2HE2 GLN 19 -4.610 3.823 1.000
159 H ILE 20 H ILE 20 0.829 5.144 4.946
160 HA ILE 20 HA ILE 20 2.253 7.515 4.438
161 HB ILE 20 HB ILE 20 1.982 6.027 7.087
162 HG12 ILE 20 2HG1 ILE 20 0.389 8.351 5.968
163 HG13 ILE 20 1HG1 ILE 20 -0.162 6.683 6.035
164 HG21 ILE 20 1HG2 ILE 20 3.840 7.621 7.190
165 HG22 ILE 20 2HG2 ILE 20 2.488 8.175 8.178
166 HG23 ILE 20 3HG2 ILE 20 2.784 8.904 6.600
167 HD11 ILE 20 3HD1 ILE 20 -1.137 8.016 7.819
168 HD12 ILE 20 1HD1 ILE 20 0.475 8.432 8.405
169 HD13 ILE 20 2HD1 ILE 20 -0.087 6.761 8.478
170 H ALA 21 H ALA 21 3.347 4.309 5.114
171 HA ALA 21 HA ALA 21 6.094 4.979 5.568
172 HB1 ALA 21 1HB ALA 21 4.904 2.328 4.802
173 HB2 ALA 21 2HB ALA 21 5.040 2.928 6.448
174 HB3 ALA 21 3HB ALA 21 6.498 2.601 5.507
175 H ILE 22 H ILE 22 4.150 4.475 2.760
176 HA ILE 22 HA ILE 22 6.545 4.202 1.168
177 HB ILE 22 HB ILE 22 4.361 2.852 0.623
178 HG12 ILE 22 2HG1 ILE 22 6.283 2.988 -0.960
179 HG13 ILE 22 1HG1 ILE 22 4.732 2.815 -1.762
180 HG21 ILE 22 1HG2 ILE 22 3.448 5.412 -0.607
181 HG22 ILE 22 2HG2 ILE 22 2.748 4.606 0.791
182 HG23 ILE 22 3HG2 ILE 22 2.692 3.826 -0.794
183 HD11 ILE 22 3HD1 ILE 22 6.335 5.352 -1.496
184 HD12 ILE 22 1HD1 ILE 22 4.765 5.217 -2.285
185 HD13 ILE 22 2HD1 ILE 22 6.160 4.369 -2.951
186 H CYS 23 H CYS 23 3.916 6.520 1.592
187 HA CYS 23 HA CYS 23 4.984 8.392 -0.283
188 HB2 CYS 23 2HB CYS 23 2.857 8.490 1.796
189 HB3 CYS 23 1HB CYS 23 3.294 9.887 0.831
190 H GLY 24 H GLY 24 5.363 7.864 3.047
191 HA2 GLY 24 2HA GLY 24 6.793 10.424 3.340
192 HA3 GLY 24 1HA GLY 24 6.128 9.493 4.672
193 H MET 25 H MET 25 8.082 8.194 2.030
194 HA MET 25 HA MET 25 10.370 8.120 3.781
195 HB2 MET 25 2HB MET 25 9.159 5.998 4.250
196 HB3 MET 25 1HB MET 25 9.305 5.568 2.553
197 HG2 MET 25 2HG MET 25 10.981 4.426 3.915
198 HG3 MET 25 1HG MET 25 11.725 5.521 2.751
199 HE1 MET 25 3HE MET 25 13.987 5.215 4.245
200 HE2 MET 25 1HE MET 25 13.124 4.253 5.443
201 HE3 MET 25 2HE MET 25 14.078 5.647 5.953
202 H SER 26 H SER 26 10.846 9.691 2.218
203 HA SER 26 HA SER 26 11.659 8.625 -0.374
204 HB2 SER 26 2HB SER 26 11.401 11.486 0.563
205 HB3 SER 26 1HB SER 26 11.692 10.927 -1.087
206 HG SER 26 HG SER 26 9.684 9.739 -0.850
207 H THR 27 H THR 27 12.983 8.418 2.342
208 HA THR 27 HA THR 27 15.424 9.863 2.191
209 HB THR 27 HB THR 27 14.925 7.306 3.717
210 HG1 THR 27 1HG THR 27 13.854 9.856 3.981
211 HG21 THR 27 3HG2 THR 27 16.475 8.303 5.357
212 HG22 THR 27 1HG2 THR 27 16.637 9.734 4.337
213 HG23 THR 27 2HG2 THR 27 17.240 8.177 3.772
214 H TRP 28 H TRP 28 14.220 7.210 0.795
215 HA TRP 28 HA TRP 28 16.797 6.074 -0.006
216 HB2 TRP 28 2HB TRP 28 14.006 5.132 -0.721
217 HB3 TRP 28 1HB TRP 28 15.495 4.297 -1.131
218 HD1 TRP 28 HD TRP 28 12.788 3.763 1.015
219 HE1 TRP 28 1HE TRP 28 13.397 2.518 3.172
220 HE3 TRP 28 3HE TRP 28 17.854 4.552 1.014
221 HZ2 TRP 28 2HZ TRP 28 15.701 1.971 4.698
222 HZ3 TRP 28 3HZ TRP 28 19.175 3.639 2.870
223 HH2 TRP 28 HH TRP 28 18.123 2.377 4.673
224 H SER 29 H SER 29 17.743 6.821 -1.757
225 HA SER 29 HA SER 29 16.256 7.542 -4.110
226 HB2 SER 29 2HB SER 29 18.013 9.562 -2.703
227 HB3 SER 29 1HB SER 29 17.228 9.774 -4.270
228 HG SER 29 HG SER 29 15.532 8.999 -2.302
229 HN1 NH2 30 HT1 SER 29 17.368 5.895 -5.078
230 HN2 NH2 30 HT2 SER 29 19.070 5.909 -5.369
231 HA PCA 1 HA PCA 1 -14.505 4.597 -6.605
232 HB2 PCA 1 2HB PCA 1 -13.579 4.628 -3.882
233 HB3 PCA 1 1HB PCA 1 -14.656 5.805 -4.690
234 HG2 PCA 1 2HG PCA 1 -15.348 3.903 -2.687
235 HG3 PCA 1 1HG PCA 1 -16.485 4.913 -3.641
236 H LEU 2 H LEU 2 -12.228 4.835 -6.732
237 HA LEU 2 HA LEU 2 -10.802 2.304 -6.919
238 HB2 LEU 2 2HB LEU 2 -9.836 5.124 -7.331
239 HB3 LEU 2 1HB LEU 2 -8.921 3.661 -7.641
240 HG LEU 2 HG LEU 2 -11.433 4.458 -9.115
241 HD11 LEU 2 1HD1 LEU 2 -8.539 4.558 -9.960
242 HD12 LEU 2 2HD1 LEU 2 -9.566 5.949 -9.615
243 HD13 LEU 2 3HD1 LEU 2 -9.928 4.904 -10.989
244 HD21 LEU 2 3HD2 LEU 2 -9.463 2.211 -9.562
245 HD22 LEU 2 1HD2 LEU 2 -10.796 2.634 -10.636
246 HD23 LEU 2 2HD2 LEU 2 -11.131 2.042 -9.014
247 H TYR 3 H TYR 3 -10.983 4.642 -4.485
248 HA TYR 3 HA TYR 3 -8.593 3.601 -3.396
249 HB2 TYR 3 2HB TYR 3 -9.370 5.896 -2.847
250 HB3 TYR 3 1HB TYR 3 -10.686 5.164 -1.905
251 HD1 TYR 3 1HD TYR 3 -7.103 4.689 -2.397
252 HD2 TYR 3 2HD TYR 3 -10.300 4.956 0.352
253 HE1 TYR 3 1HE TYR 3 -5.575 4.252 -0.684
254 HE2 TYR 3 2HE TYR 3 -8.762 4.532 2.194
255 HH TYR 3 HH TYR 3 -6.608 3.578 2.588
256 H SER 4 H SER 4 -12.028 3.089 -2.772
257 HA SER 4 HA SER 4 -11.787 1.275 -0.693
258 HB2 SER 4 2HB SER 4 -13.889 1.349 -2.850
259 HB3 SER 4 1HB SER 4 -14.060 0.786 -1.180
260 HG SER 4 HG SER 4 -13.976 2.809 -0.449
261 H ALA 5 H ALA 5 -11.699 0.878 -4.200
262 HA ALA 5 HA ALA 5 -11.721 -1.912 -4.342
263 HB1 ALA 5 1HB ALA 5 -10.360 0.049 -6.191
264 HB2 ALA 5 2HB ALA 5 -12.043 -0.460 -6.292
265 HB3 ALA 5 3HB ALA 5 -10.751 -1.629 -6.574
266 H LEU 6 H LEU 6 -8.991 0.364 -4.070
267 HA LEU 6 HA LEU 6 -6.888 -1.510 -4.066
268 HB2 LEU 6 2HB LEU 6 -6.456 0.901 -4.230
269 HB3 LEU 6 1HB LEU 6 -7.081 1.140 -2.609
270 HG LEU 6 HG LEU 6 -5.215 -0.408 -1.825
271 HD11 LEU 6 1HD1 LEU 6 -4.597 -1.396 -3.887
272 HD12 LEU 6 2HD1 LEU 6 -3.220 -0.518 -3.221
273 HD13 LEU 6 3HD1 LEU 6 -4.142 0.169 -4.558
274 HD21 LEU 6 3HD2 LEU 6 -3.558 1.383 -1.726
275 HD22 LEU 6 1HD2 LEU 6 -5.177 1.999 -1.411
276 HD23 LEU 6 2HD2 LEU 6 -4.426 2.265 -2.985
277 H ALA 7 H ALA 7 -8.682 -0.019 -1.441
278 HA ALA 7 HA ALA 7 -7.413 -1.148 0.735
279 HB1 ALA 7 1HB ALA 7 -9.026 0.693 0.884
280 HB2 ALA 7 2HB ALA 7 -9.410 -0.601 2.017
281 HB3 ALA 7 3HB ALA 7 -10.333 -0.432 0.524
282 H ASN 8 H ASN 8 -10.202 -2.393 -1.032
283 HA ASN 8 HA ASN 8 -10.447 -4.739 0.553
284 HB2 ASN 8 2HB ASN 8 -11.501 -4.117 -2.209
285 HB3 ASN 8 1HB ASN 8 -11.862 -5.604 -1.343
286 HD21 ASN 8 1HD2 ASN 8 -13.653 -3.515 -2.263
287 HD22 ASN 8 2HD2 ASN 8 -14.465 -2.934 -0.863
288 H LYS 9 H LYS 9 -8.748 -4.000 -2.406
289 HA LYS 9 HA LYS 9 -8.124 -6.655 -3.175
290 HB2 LYS 9 2HB LYS 9 -7.974 -4.554 -4.598
291 HB3 LYS 9 1HB LYS 9 -6.541 -4.136 -3.698
292 HG2 LYS 9 2HG LYS 9 -5.933 -5.023 -5.836
293 HG3 LYS 9 1HG LYS 9 -5.429 -6.156 -4.580
294 HD2 LYS 9 2HD LYS 9 -7.098 -7.689 -5.135
295 HD3 LYS 9 1HD LYS 9 -8.069 -6.472 -5.966
296 HE2 LYS 9 2HE LYS 9 -7.031 -7.978 -7.571
297 HE3 LYS 9 1HE LYS 9 -6.411 -6.344 -7.740
298 HZ1 LYS 9 3HZ LYS 9 -5.004 -8.679 -6.537
299 HZ2 LYS 9 1HZ LYS 9 -4.399 -7.092 -6.468
300 HZ3 LYS 9 2HZ LYS 9 -4.641 -7.847 -7.930
301 H CYS 10 H CYS 10 -6.202 -4.279 -1.390
302 HA CYS 10 HA CYS 10 -4.001 -6.017 -0.912
303 HB2 CYS 10 2HB CYS 10 -4.944 -3.759 0.844
304 HB3 CYS 10 1HB CYS 10 -3.307 -4.380 0.687
305 H CYS 11 H CYS 11 -6.982 -5.375 0.810
306 HA CYS 11 HA CYS 11 -6.277 -6.727 3.185
307 HB2 CYS 11 2HB CYS 11 -8.046 -4.971 2.950
308 HB3 CYS 11 1HB CYS 11 -9.030 -6.135 2.082
309 H HIS 12 H HIS 12 -7.950 -7.676 0.195
310 HA HIS 12 HA HIS 12 -8.673 -10.228 1.263
311 HB2 HIS 12 2HB HIS 12 -8.925 -8.952 -1.433
312 HB3 HIS 12 1HB HIS 12 -9.392 -10.618 -1.158
313 HD1 HIS 12 1HD HIS 12 -11.911 -9.725 -1.781
314 HD2 HIS 12 2HD HIS 12 -10.242 -8.244 1.701
315 HE1 HIS 12 1HE HIS 12 -13.795 -8.638 -0.527
316 H VAL 13 H VAL 13 -6.512 -9.122 -1.264
317 HA VAL 13 HA VAL 13 -5.143 -11.692 -0.979
318 HB VAL 13 HB VAL 13 -4.431 -11.456 -3.366
319 HG11 VAL 13 1HG1 VAL 13 -6.239 -12.990 -2.699
320 HG12 VAL 13 2HG1 VAL 13 -6.644 -12.256 -4.257
321 HG13 VAL 13 3HG1 VAL 13 -7.391 -11.659 -2.773
322 HG21 VAL 13 3HG2 VAL 13 -5.844 -10.067 -4.860
323 HG22 VAL 13 1HG2 VAL 13 -4.882 -9.099 -3.741
324 HG23 VAL 13 2HG2 VAL 13 -6.598 -9.355 -3.434
325 H GLY 14 H GLY 14 -4.582 -8.376 -1.953
326 HA2 GLY 14 2HA GLY 14 -2.682 -7.462 -0.384
327 HA3 GLY 14 1HA GLY 14 -1.758 -8.650 -1.249
328 H CYS 15 H CYS 15 -0.909 -6.173 -1.457
329 HA CYS 15 HA CYS 15 -1.289 -5.704 -4.263
330 HB2 CYS 15 2HB CYS 15 -1.704 -3.286 -3.927
331 HB3 CYS 15 1HB CYS 15 -3.034 -4.300 -3.390
332 H THR 16 H THR 16 0.295 -4.127 -5.029
333 HA THR 16 HA THR 16 2.762 -4.555 -3.694
334 HB THR 16 HB THR 16 3.680 -3.282 -5.691
335 HG1 THR 16 1HG THR 16 1.151 -3.728 -6.871
336 HG21 THR 16 3HG2 THR 16 3.689 -5.713 -5.622
337 HG22 THR 16 1HG2 THR 16 3.315 -5.154 -7.251
338 HG23 THR 16 2HG2 THR 16 2.025 -5.754 -6.206
339 H LYS 17 H LYS 17 4.120 -2.915 -3.193
340 HA LYS 17 HA LYS 17 2.985 -0.862 -1.549
341 HB2 LYS 17 2HB LYS 17 5.208 -2.112 -1.463
342 HB3 LYS 17 1HB LYS 17 5.879 -0.905 -2.514
343 HG2 LYS 17 2HG LYS 17 6.425 -0.413 -0.265
344 HG3 LYS 17 1HG LYS 17 5.248 0.810 -0.789
345 HD2 LYS 17 2HD LYS 17 3.488 -0.301 0.403
346 HD3 LYS 17 1HD LYS 17 4.506 -1.709 0.704
347 HE2 LYS 17 2HE LYS 17 4.936 1.059 1.821
348 HE3 LYS 17 1HE LYS 17 4.254 -0.311 2.695
349 HZ1 LYS 17 3HZ LYS 17 7.032 -0.023 1.689
350 HZ2 LYS 17 1HZ LYS 17 6.395 -1.500 2.228
351 HZ3 LYS 17 2HZ LYS 17 6.506 -0.186 3.267
352 H ARG 18 H ARG 18 4.171 -0.811 -4.804
353 HA ARG 18 HA ARG 18 3.862 2.027 -5.055
354 HB2 ARG 18 2HB ARG 18 4.100 -0.105 -7.163
355 HB3 ARG 18 1HB ARG 18 3.974 1.610 -7.517
356 HG2 ARG 18 2HG ARG 18 6.165 0.251 -5.969
357 HG3 ARG 18 1HG ARG 18 6.275 0.869 -7.616
358 HD2 ARG 18 2HD ARG 18 5.769 2.546 -5.142
359 HD3 ARG 18 1HD ARG 18 7.305 2.389 -5.981
360 HE ARG 18 HE ARG 18 5.431 3.216 -7.835
361 HH11 ARG 18 1HH1 ARG 18 6.865 4.570 -4.856
362 HH12 ARG 18 2HH1 ARG 18 6.874 6.169 -5.441
363 HH21 ARG 18 1HH2 ARG 18 5.417 5.453 -8.567
364 HH22 ARG 18 2HH2 ARG 18 6.051 6.675 -7.547
365 H SER 19 H SER 19 1.738 -0.600 -5.160
366 HA SER 19 HA SER 19 -0.291 0.661 -6.697
367 HB2 SER 19 2HB SER 19 -0.027 -1.834 -6.431
368 HB3 SER 19 1HB SER 19 -0.554 -1.681 -4.768
369 HG SER 19 HG SER 19 -1.944 -1.267 -7.160
370 H LEU 20 H LEU 20 0.446 0.271 -3.222
371 HA LEU 20 HA LEU 20 -1.813 1.905 -2.485
372 HB2 LEU 20 2HB LEU 20 0.609 1.776 -0.629
373 HB3 LEU 20 1HB LEU 20 -1.026 2.107 -0.298
374 HG LEU 20 HG LEU 20 -1.581 -0.304 -0.854
375 HD11 LEU 20 1HD1 LEU 20 0.185 -1.889 -0.521
376 HD12 LEU 20 2HD1 LEU 20 1.353 -0.582 -0.355
377 HD13 LEU 20 3HD1 LEU 20 0.553 -0.862 -1.906
378 HD21 LEU 20 3HD2 LEU 20 -1.667 0.598 1.390
379 HD22 LEU 20 1HD2 LEU 20 0.083 0.390 1.543
380 HD23 LEU 20 2HD2 LEU 20 -0.961 -1.022 1.399
381 H ALA 21 H ALA 21 1.408 2.445 -3.296
382 HA ALA 21 HA ALA 21 1.707 5.157 -2.628
383 HB1 ALA 21 1HB ALA 21 3.467 5.300 -4.251
384 HB2 ALA 21 2HB ALA 21 2.864 3.866 -5.073
385 HB3 ALA 21 3HB ALA 21 3.542 3.728 -3.448
386 H ARG 22 H ARG 22 0.108 3.767 -5.432
387 HA ARG 22 HA ARG 22 -0.134 6.355 -6.684
388 HB2 ARG 22 2HB ARG 22 -1.455 5.159 -8.441
389 HB3 ARG 22 1HB ARG 22 0.188 4.577 -8.228
390 HG2 ARG 22 2HG ARG 22 -0.660 2.692 -6.945
391 HG3 ARG 22 1HG ARG 22 -2.304 3.292 -7.144
392 HD2 ARG 22 2HD ARG 22 -0.476 2.540 -9.419
393 HD3 ARG 22 1HD ARG 22 -1.692 1.469 -8.725
394 HE ARG 22 HE ARG 22 -2.909 3.881 -9.422
395 HH11 ARG 22 1HH1 ARG 22 -1.368 1.149 -11.085
396 HH12 ARG 22 2HH1 ARG 22 -2.416 1.192 -12.418
397 HH21 ARG 22 1HH2 ARG 22 -4.317 3.961 -11.246
398 HH22 ARG 22 2HH2 ARG 22 -4.141 2.855 -12.533
399 H PHE 23 H PHE 23 -1.652 5.231 -4.160
400 HA PHE 23 HA PHE 23 -4.020 6.829 -4.811
401 HB2 PHE 23 2HB PHE 23 -4.030 4.257 -3.223
402 HB3 PHE 23 1HB PHE 23 -5.385 5.378 -3.289
403 HD1 PHE 23 1HD PHE 23 -6.442 5.848 -5.532
404 HD2 PHE 23 2HD PHE 23 -3.748 2.619 -4.906
405 HE1 PHE 23 1HE PHE 23 -7.268 4.769 -7.567
406 HE2 PHE 23 2HE PHE 23 -4.577 1.524 -6.940
407 HZ PHE 23 HZ PHE 23 -6.340 2.597 -8.280
408 H CYS 24 H CYS 24 -2.313 5.350 -2.217
409 HA CYS 24 HA CYS 24 -1.672 5.987 -0.131
410 HB2 CYS 24 2HB CYS 24 -0.193 7.246 -1.772
411 HB3 CYS 24 1HB CYS 24 -1.185 8.656 -1.442
412 HN1 NH2 25 HT1 CYS 24 -3.711 5.864 0.888
413 HN2 NH2 25 HT2 CYS 24 -4.572 7.278 1.363
Start of MODEL 10
1 H1 ASP 1 1HT ASP 1 11.043 -4.952 1.002
2 H2 ASP 1 2HT ASP 1 11.618 -5.116 2.576
3 H3 ASP 1 3HT ASP 1 12.666 -5.398 1.287
4 HA ASP 1 HA ASP 1 11.424 -2.822 2.069
5 HB2 ASP 1 2HB ASP 1 13.677 -2.111 2.473
6 HB3 ASP 1 1HB ASP 1 13.303 -3.494 3.521
7 H SER 2 H SER 2 13.211 -4.549 -0.376
8 HA SER 2 HA SER 2 13.651 -2.228 -1.930
9 HB2 SER 2 2HB SER 2 15.057 -4.012 -2.272
10 HB3 SER 2 1HB SER 2 13.749 -5.145 -2.726
11 HG SER 2 HG SER 2 14.687 -4.438 -4.580
12 H TRP 3 H TRP 3 12.542 -1.307 -3.235
13 HA TRP 3 HA TRP 3 9.729 -1.424 -2.980
14 HB2 TRP 3 2HB TRP 3 11.340 0.282 -4.861
15 HB3 TRP 3 1HB TRP 3 9.658 0.543 -4.416
16 HD1 TRP 3 HD TRP 3 13.047 1.659 -3.475
17 HE1 TRP 3 1HE TRP 3 13.047 2.761 -1.185
18 HE3 TRP 3 3HE TRP 3 8.406 0.180 -1.737
19 HZ2 TRP 3 2HZ TRP 3 11.417 3.000 1.052
20 HZ3 TRP 3 3HZ TRP 3 7.768 0.882 0.510
21 HH2 TRP 3 HH TRP 3 9.230 2.271 1.874
22 H MET 4 H MET 4 11.760 -2.799 -5.365
23 HA MET 4 HA MET 4 9.636 -3.004 -7.330
24 HB2 MET 4 2HB MET 4 12.419 -4.185 -7.319
25 HB3 MET 4 1HB MET 4 11.283 -4.324 -8.651
26 HG2 MET 4 2HG MET 4 11.288 -1.882 -8.886
27 HG3 MET 4 1HG MET 4 12.457 -1.770 -7.576
28 HE1 MET 4 3HE MET 4 12.877 -0.445 -10.442
29 HE2 MET 4 1HE MET 4 14.564 -0.848 -10.763
30 HE3 MET 4 2HE MET 4 14.070 -0.334 -9.150
31 H GLU 5 H GLU 5 10.427 -4.669 -4.549
32 HA GLU 5 HA GLU 5 9.219 -7.177 -5.559
33 HB2 GLU 5 2HB GLU 5 11.383 -6.862 -3.476
34 HB3 GLU 5 1HB GLU 5 10.680 -8.378 -4.012
35 HG2 GLU 5 2HG GLU 5 11.669 -8.121 -6.191
36 HG3 GLU 5 1HG GLU 5 12.240 -6.505 -5.776
37 H GLU 6 H GLU 6 8.168 -4.739 -4.053
38 HA GLU 6 HA GLU 6 7.546 -5.918 -1.473
39 HB2 GLU 6 2HB GLU 6 7.043 -3.146 -2.516
40 HB3 GLU 6 1HB GLU 6 6.569 -3.791 -0.947
41 HG2 GLU 6 2HG GLU 6 9.407 -3.575 -1.889
42 HG3 GLU 6 1HG GLU 6 8.588 -2.349 -0.923
43 H VAL 7 H VAL 7 5.844 -6.970 -1.314
44 HA VAL 7 HA VAL 7 3.326 -5.973 -2.335
45 HB VAL 7 HB VAL 7 3.915 -7.695 -4.013
46 HG11 VAL 7 1HG1 VAL 7 5.439 -9.067 -2.734
47 HG12 VAL 7 2HG1 VAL 7 4.142 -10.061 -3.405
48 HG13 VAL 7 3HG1 VAL 7 4.118 -9.613 -1.701
49 HG21 VAL 7 3HG2 VAL 7 1.922 -9.156 -3.803
50 HG22 VAL 7 1HG2 VAL 7 1.550 -7.467 -3.473
51 HG23 VAL 7 2HG2 VAL 7 1.703 -8.593 -2.145
52 H ILE 8 H ILE 8 1.773 -6.076 -0.846
53 HA ILE 8 HA ILE 8 2.369 -7.675 1.531
54 HB ILE 8 HB ILE 8 1.698 -5.873 3.018
55 HG12 ILE 8 2HG1 ILE 8 1.437 -4.249 0.497
56 HG13 ILE 8 1HG1 ILE 8 0.139 -4.719 1.566
57 HG21 ILE 8 1HG2 ILE 8 3.618 -4.372 2.776
58 HG22 ILE 8 2HG2 ILE 8 3.868 -4.964 1.135
59 HG23 ILE 8 3HG2 ILE 8 4.072 -6.055 2.501
60 HD11 ILE 8 3HD1 ILE 8 2.369 -2.827 2.295
61 HD12 ILE 8 1HD1 ILE 8 1.048 -3.324 3.349
62 HD13 ILE 8 2HD1 ILE 8 0.711 -2.374 1.902
63 H LYS 9 H LYS 9 0.551 -7.839 2.908
64 HA LYS 9 HA LYS 9 -2.044 -7.445 1.679
65 HB2 LYS 9 2HB LYS 9 -1.474 -9.789 1.161
66 HB3 LYS 9 1HB LYS 9 -1.160 -10.092 2.865
67 HG2 LYS 9 2HG LYS 9 -3.467 -9.834 3.421
68 HG3 LYS 9 1HG LYS 9 -3.847 -9.232 1.808
69 HD2 LYS 9 2HD LYS 9 -4.561 -11.545 2.063
70 HD3 LYS 9 1HD LYS 9 -3.284 -11.413 0.862
71 HE2 LYS 9 2HE LYS 9 -1.649 -12.150 2.558
72 HE3 LYS 9 1HE LYS 9 -2.964 -12.331 3.722
73 HZ1 LYS 9 3HZ LYS 9 -2.732 -13.774 1.150
74 HZ2 LYS 9 1HZ LYS 9 -3.960 -13.988 2.263
75 HZ3 LYS 9 2HZ LYS 9 -2.374 -14.447 2.642
76 H LEU 10 H LEU 10 -2.527 -5.904 2.998
77 HA LEU 10 HA LEU 10 -2.698 -6.394 5.894
78 HB2 LEU 10 2HB LEU 10 -1.558 -4.039 4.441
79 HB3 LEU 10 1HB LEU 10 -2.416 -3.784 5.923
80 HG LEU 10 HG LEU 10 -0.862 -5.046 7.185
81 HD11 LEU 10 1HD1 LEU 10 -0.232 -6.776 5.546
82 HD12 LEU 10 2HD1 LEU 10 1.208 -5.999 6.209
83 HD13 LEU 10 3HD1 LEU 10 0.621 -5.556 4.603
84 HD21 LEU 10 3HD2 LEU 10 -0.317 -2.715 6.759
85 HD22 LEU 10 1HD2 LEU 10 0.607 -3.189 5.343
86 HD23 LEU 10 2HD2 LEU 10 1.143 -3.687 6.947
87 H CYS 11 H CYS 11 -4.093 -4.574 6.788
88 HA CYS 11 HA CYS 11 -6.306 -3.935 4.977
89 HB2 CYS 11 2HB CYS 11 -6.843 -5.477 7.508
90 HB3 CYS 11 1HB CYS 11 -8.009 -4.947 6.301
91 H GLY 12 H GLY 12 -7.894 -2.501 6.010
92 HA2 GLY 12 2HA GLY 12 -8.502 -0.648 7.251
93 HA3 GLY 12 1HA GLY 12 -7.923 -1.598 8.596
94 H ARG 13 H ARG 13 -6.831 -0.357 9.806
95 HA ARG 13 HA ARG 13 -5.462 1.999 9.055
96 HB2 ARG 13 2HB ARG 13 -5.025 0.355 11.542
97 HB3 ARG 13 1HB ARG 13 -4.489 2.007 11.291
98 HG2 ARG 13 2HG ARG 13 -7.327 1.051 11.427
99 HG3 ARG 13 1HG ARG 13 -6.453 1.930 12.677
100 HD2 ARG 13 2HD ARG 13 -6.252 3.844 11.163
101 HD3 ARG 13 1HD ARG 13 -7.134 2.948 9.922
102 HE ARG 13 HE ARG 13 -8.366 3.324 12.513
103 HH11 ARG 13 1HH1 ARG 13 -8.280 4.248 9.072
104 HH12 ARG 13 2HH1 ARG 13 -9.841 4.921 9.091
105 HH21 ARG 13 1HH2 ARG 13 -10.511 4.306 12.496
106 HH22 ARG 13 2HH2 ARG 13 -11.103 4.966 11.029
107 H GLU 14 H GLU 14 -4.433 -1.327 9.000
108 HA GLU 14 HA GLU 14 -1.666 -0.802 9.200
109 HB2 GLU 14 2HB GLU 14 -3.254 -3.119 8.124
110 HB3 GLU 14 1HB GLU 14 -1.503 -3.121 8.260
111 HG2 GLU 14 2HG GLU 14 -3.421 -2.767 10.541
112 HG3 GLU 14 1HG GLU 14 -2.593 -4.268 10.121
113 H LEU 15 H LEU 15 -4.016 -1.030 6.656
114 HA LEU 15 HA LEU 15 -2.245 -0.827 4.426
115 HB2 LEU 15 2HB LEU 15 -5.090 0.098 4.744
116 HB3 LEU 15 1HB LEU 15 -4.219 0.088 3.228
117 HG LEU 15 HG LEU 15 -4.778 -2.379 4.843
118 HD11 LEU 15 1HD1 LEU 15 -6.522 -2.794 3.147
119 HD12 LEU 15 2HD1 LEU 15 -6.267 -1.150 2.534
120 HD13 LEU 15 3HD1 LEU 15 -6.864 -1.407 4.172
121 HD21 LEU 15 3HD2 LEU 15 -4.262 -3.517 2.835
122 HD22 LEU 15 1HD2 LEU 15 -2.889 -2.522 3.302
123 HD23 LEU 15 2HD2 LEU 15 -3.946 -1.999 1.973
124 H VAL 16 H VAL 16 -3.989 1.514 6.379
125 HA VAL 16 HA VAL 16 -3.250 3.811 4.899
126 HB VAL 16 HB VAL 16 -3.978 3.690 7.845
127 HG11 VAL 16 1HG1 VAL 16 -3.001 5.824 7.203
128 HG12 VAL 16 2HG1 VAL 16 -4.720 6.004 7.551
129 HG13 VAL 16 3HG1 VAL 16 -4.158 5.971 5.879
130 HG21 VAL 16 3HG2 VAL 16 -6.281 4.162 7.129
131 HG22 VAL 16 1HG2 VAL 16 -5.704 2.618 6.503
132 HG23 VAL 16 2HG2 VAL 16 -5.777 4.026 5.445
133 H ARG 17 H ARG 17 -1.873 2.278 7.725
134 HA ARG 17 HA ARG 17 0.185 4.043 8.388
135 HB2 ARG 17 2HB ARG 17 -0.658 1.750 9.387
136 HB3 ARG 17 1HB ARG 17 0.565 1.101 8.362
137 HG2 ARG 17 2HG ARG 17 1.527 1.314 10.548
138 HG3 ARG 17 1HG ARG 17 2.299 2.472 9.471
139 HD2 ARG 17 2HD ARG 17 0.019 3.187 11.316
140 HD3 ARG 17 1HD ARG 17 1.706 3.316 11.786
141 HE ARG 17 HE ARG 17 1.986 4.953 10.041
142 HH11 ARG 17 1HH1 ARG 17 -1.383 4.306 11.002
143 HH12 ARG 17 2HH1 ARG 17 -1.925 5.852 10.532
144 HH21 ARG 17 1HH2 ARG 17 1.165 7.101 9.469
145 HH22 ARG 17 2HH2 ARG 17 -0.501 7.432 9.671
146 H ALA 18 H ALA 18 0.205 1.244 6.385
147 HA ALA 18 HA ALA 18 2.802 1.392 5.298
148 HB1 ALA 18 1HB ALA 18 0.335 0.186 4.050
149 HB2 ALA 18 2HB ALA 18 1.452 -0.640 5.137
150 HB3 ALA 18 3HB ALA 18 1.989 -0.125 3.539
151 H GLN 19 H GLN 19 -0.270 2.579 4.018
152 HA GLN 19 HA GLN 19 0.571 3.640 1.622
153 HB2 GLN 19 2HB GLN 19 -1.649 4.129 3.486
154 HB3 GLN 19 1HB GLN 19 -1.447 5.269 2.174
155 HG2 GLN 19 2HG GLN 19 -1.623 3.484 0.576
156 HG3 GLN 19 1HG GLN 19 -1.633 2.275 1.867
157 HE21 GLN 19 1HE2 GLN 19 -3.482 2.707 -0.268
158 HE22 GLN 19 2HE2 GLN 19 -5.014 3.035 0.467
159 H ILE 20 H ILE 20 0.167 5.299 4.691
160 HA ILE 20 HA ILE 20 1.109 7.811 3.886
161 HB ILE 20 HB ILE 20 1.313 6.569 6.644
162 HG12 ILE 20 2HG1 ILE 20 -0.990 6.690 5.888
163 HG13 ILE 20 1HG1 ILE 20 -0.721 7.896 7.137
164 HG21 ILE 20 1HG2 ILE 20 2.856 8.435 6.458
165 HG22 ILE 20 2HG2 ILE 20 1.500 8.860 7.503
166 HG23 ILE 20 3HG2 ILE 20 1.561 9.464 5.847
167 HD11 ILE 20 3HD1 ILE 20 -2.102 8.774 5.364
168 HD12 ILE 20 1HD1 ILE 20 -0.862 8.407 4.168
169 HD13 ILE 20 2HD1 ILE 20 -0.559 9.627 5.404
170 H ALA 21 H ALA 21 2.917 5.110 5.260
171 HA ALA 21 HA ALA 21 5.427 6.418 5.339
172 HB1 ALA 21 1HB ALA 21 6.390 4.177 5.554
173 HB2 ALA 21 2HB ALA 21 4.839 3.467 5.102
174 HB3 ALA 21 3HB ALA 21 4.991 4.379 6.604
175 H ILE 22 H ILE 22 3.886 4.381 2.931
176 HA ILE 22 HA ILE 22 6.072 4.311 1.132
177 HB ILE 22 HB ILE 22 3.782 2.911 1.379
178 HG12 ILE 22 2HG1 ILE 22 5.609 2.030 0.251
179 HG13 ILE 22 1HG1 ILE 22 4.201 1.963 -0.838
180 HG21 ILE 22 1HG2 ILE 22 3.213 4.713 -0.936
181 HG22 ILE 22 2HG2 ILE 22 2.273 4.561 0.548
182 HG23 ILE 22 3HG2 ILE 22 2.351 3.212 -0.593
183 HD11 ILE 22 3HD1 ILE 22 5.151 3.964 -1.989
184 HD12 ILE 22 1HD1 ILE 22 6.163 2.509 -2.087
185 HD13 ILE 22 2HD1 ILE 22 6.561 3.781 -0.942
186 H CYS 23 H CYS 23 3.488 6.507 1.674
187 HA CYS 23 HA CYS 23 3.817 7.851 -0.835
188 HB2 CYS 23 2HB CYS 23 1.710 7.722 0.726
189 HB3 CYS 23 1HB CYS 23 2.442 9.124 1.501
190 H GLY 24 H GLY 24 5.271 7.980 2.256
191 HA2 GLY 24 2HA GLY 24 6.479 10.583 1.778
192 HA3 GLY 24 1HA GLY 24 6.646 9.582 3.219
193 H MET 25 H MET 25 7.133 7.312 1.179
194 HA MET 25 HA MET 25 9.798 7.843 0.237
195 HB2 MET 25 2HB MET 25 9.182 5.704 2.309
196 HB3 MET 25 1HB MET 25 10.615 5.681 1.310
197 HG2 MET 25 2HG MET 25 10.051 8.040 3.045
198 HG3 MET 25 1HG MET 25 10.690 6.568 3.761
199 HE1 MET 25 3HE MET 25 13.001 9.221 0.723
200 HE2 MET 25 1HE MET 25 11.344 9.523 1.227
201 HE3 MET 25 2HE MET 25 11.723 8.173 0.136
202 H SER 26 H SER 26 8.593 7.613 -1.658
203 HA SER 26 HA SER 26 7.306 5.100 -2.155
204 HB2 SER 26 2HB SER 26 7.766 7.352 -4.108
205 HB3 SER 26 1HB SER 26 6.657 5.994 -4.320
206 HG SER 26 HG SER 26 5.975 6.899 -2.059
207 H THR 27 H THR 27 10.302 6.225 -2.456
208 HA THR 27 HA THR 27 11.344 3.814 -3.444
209 HB THR 27 HB THR 27 12.059 6.288 -5.070
210 HG1 THR 27 1HG THR 27 9.828 4.675 -5.314
211 HG21 THR 27 3HG2 THR 27 12.395 3.331 -5.555
212 HG22 THR 27 1HG2 THR 27 13.673 4.506 -5.263
213 HG23 THR 27 2HG2 THR 27 12.755 4.557 -6.764
214 H TRP 28 H TRP 28 13.782 4.309 -3.489
215 HA TRP 28 HA TRP 28 14.490 5.634 -1.014
216 HB2 TRP 28 2HB TRP 28 16.281 4.314 -3.081
217 HB3 TRP 28 1HB TRP 28 16.786 4.852 -1.489
218 HD1 TRP 28 HD TRP 28 15.545 1.839 -3.289
219 HE1 TRP 28 1HE TRP 28 15.060 -0.048 -1.622
220 HE3 TRP 28 3HE TRP 28 15.615 4.529 1.070
221 HZ2 TRP 28 2HZ TRP 28 14.700 -0.370 1.135
222 HZ3 TRP 28 3HZ TRP 28 15.162 3.338 3.175
223 HH2 TRP 28 HH TRP 28 14.716 0.948 3.201
224 H SER 29 H SER 29 15.209 7.715 -0.898
225 HA SER 29 HA SER 29 15.567 9.112 -3.414
226 HB2 SER 29 2HB SER 29 15.390 10.217 -0.604
227 HB3 SER 29 1HB SER 29 15.306 11.136 -2.106
228 HG SER 29 HG SER 29 13.473 9.388 -2.413
229 HN1 NH2 30 HT1 SER 29 17.613 8.608 -4.053
230 HN2 NH2 30 HT2 SER 29 19.045 8.950 -3.152
231 HA PCA 1 HA PCA 1 -13.790 5.868 -5.092
232 HB2 PCA 1 2HB PCA 1 -12.672 5.508 -2.479
233 HB3 PCA 1 1HB PCA 1 -13.557 6.936 -3.085
234 HG2 PCA 1 2HG PCA 1 -14.449 5.041 -1.139
235 HG3 PCA 1 1HG PCA 1 -15.427 6.344 -1.900
236 H LEU 2 H LEU 2 -11.733 5.356 -5.765
237 HA LEU 2 HA LEU 2 -11.084 2.558 -5.711
238 HB2 LEU 2 2HB LEU 2 -9.536 4.835 -6.934
239 HB3 LEU 2 1HB LEU 2 -9.174 3.131 -7.127
240 HG LEU 2 HG LEU 2 -11.700 4.446 -8.105
241 HD11 LEU 2 1HD1 LEU 2 -9.213 3.628 -9.596
242 HD12 LEU 2 2HD1 LEU 2 -9.773 5.279 -9.316
243 HD13 LEU 2 3HD1 LEU 2 -10.717 4.189 -10.328
244 HD21 LEU 2 3HD2 LEU 2 -11.962 2.331 -9.351
245 HD22 LEU 2 1HD2 LEU 2 -11.986 2.083 -7.605
246 HD23 LEU 2 2HD2 LEU 2 -10.539 1.695 -8.528
247 H TYR 3 H TYR 3 -10.133 5.099 -3.828
248 HA TYR 3 HA TYR 3 -7.900 3.883 -2.726
249 HB2 TYR 3 2HB TYR 3 -8.348 6.066 -2.000
250 HB3 TYR 3 1HB TYR 3 -10.033 5.694 -1.627
251 HD1 TYR 3 2HD TYR 3 -6.573 4.883 -0.611
252 HD2 TYR 3 1HD TYR 3 -10.649 5.155 0.486
253 HE1 TYR 3 2HE TYR 3 -5.975 4.337 1.648
254 HE2 TYR 3 1HE TYR 3 -10.138 4.600 2.724
255 HH TYR 3 HH TYR 3 -6.794 4.512 3.839
256 H SER 4 H SER 4 -11.361 3.503 -1.931
257 HA SER 4 HA SER 4 -10.998 1.549 0.047
258 HB2 SER 4 2HB SER 4 -13.416 2.174 -1.650
259 HB3 SER 4 1HB SER 4 -13.405 1.346 -0.088
260 HG SER 4 HG SER 4 -13.385 3.192 0.837
261 H ALA 5 H ALA 5 -11.490 1.448 -3.427
262 HA ALA 5 HA ALA 5 -11.925 -1.305 -3.755
263 HB1 ALA 5 1HB ALA 5 -11.241 -0.967 -6.072
264 HB2 ALA 5 2HB ALA 5 -10.521 0.578 -5.645
265 HB3 ALA 5 3HB ALA 5 -12.271 0.365 -5.539
266 H LEU 6 H LEU 6 -8.947 0.611 -3.719
267 HA LEU 6 HA LEU 6 -7.116 -1.477 -4.121
268 HB2 LEU 6 2HB LEU 6 -6.488 0.892 -4.265
269 HB3 LEU 6 1HB LEU 6 -6.806 1.089 -2.553
270 HG LEU 6 HG LEU 6 -4.997 -0.645 -2.160
271 HD11 LEU 6 1HD1 LEU 6 -3.318 -0.901 -3.893
272 HD12 LEU 6 2HD1 LEU 6 -4.355 -0.029 -5.020
273 HD13 LEU 6 3HD1 LEU 6 -4.876 -1.581 -4.360
274 HD21 LEU 6 3HD2 LEU 6 -4.174 1.978 -3.395
275 HD22 LEU 6 1HD2 LEU 6 -3.199 0.979 -2.320
276 HD23 LEU 6 2HD2 LEU 6 -4.672 1.738 -1.719
277 H ALA 7 H ALA 7 -8.482 -0.041 -1.215
278 HA ALA 7 HA ALA 7 -7.049 -1.378 0.716
279 HB1 ALA 7 1HB ALA 7 -8.875 -0.870 2.249
280 HB2 ALA 7 2HB ALA 7 -9.939 -0.540 0.882
281 HB3 ALA 7 3HB ALA 7 -8.550 0.500 1.187
282 H ASN 8 H ASN 8 -10.116 -2.380 -0.756
283 HA ASN 8 HA ASN 8 -10.246 -4.833 0.651
284 HB2 ASN 8 2HB ASN 8 -11.621 -3.875 -1.846
285 HB3 ASN 8 1HB ASN 8 -11.772 -5.552 -1.338
286 HD21 ASN 8 1HD2 ASN 8 -13.799 -3.434 -1.512
287 HD22 ASN 8 2HD2 ASN 8 -14.467 -3.297 0.069
288 H LYS 9 H LYS 9 -8.833 -3.968 -2.406
289 HA LYS 9 HA LYS 9 -8.220 -6.586 -3.284
290 HB2 LYS 9 2HB LYS 9 -8.304 -4.523 -4.738
291 HB3 LYS 9 1HB LYS 9 -6.913 -3.917 -3.908
292 HG2 LYS 9 2HG LYS 9 -6.795 -6.417 -5.594
293 HG3 LYS 9 1HG LYS 9 -6.578 -4.804 -6.264
294 HD2 LYS 9 2HD LYS 9 -4.776 -4.539 -4.452
295 HD3 LYS 9 1HD LYS 9 -4.849 -6.294 -4.314
296 HE2 LYS 9 2HE LYS 9 -4.171 -4.707 -6.806
297 HE3 LYS 9 1HE LYS 9 -3.041 -5.601 -5.805
298 HZ1 LYS 9 3HZ LYS 9 -4.281 -7.669 -6.484
299 HZ2 LYS 9 1HZ LYS 9 -3.545 -6.843 -7.754
300 HZ3 LYS 9 2HZ LYS 9 -5.180 -6.705 -7.531
301 H CYS 10 H CYS 10 -6.226 -4.263 -1.505
302 HA CYS 10 HA CYS 10 -3.997 -6.074 -1.265
303 HB2 CYS 10 2HB CYS 10 -4.663 -3.697 0.470
304 HB3 CYS 10 1HB CYS 10 -3.081 -4.428 0.219
305 H CYS 11 H CYS 11 -6.902 -5.555 0.592
306 HA CYS 11 HA CYS 11 -5.904 -6.964 2.870
307 HB2 CYS 11 2HB CYS 11 -7.675 -5.228 3.022
308 HB3 CYS 11 1HB CYS 11 -8.749 -6.278 2.125
309 H HIS 12 H HIS 12 -7.873 -7.737 0.036
310 HA HIS 12 HA HIS 12 -8.582 -10.328 1.033
311 HB2 HIS 12 2HB HIS 12 -8.879 -9.023 -1.650
312 HB3 HIS 12 1HB HIS 12 -9.404 -10.666 -1.336
313 HD1 HIS 12 1HD HIS 12 -11.831 -9.466 -2.020
314 HD2 HIS 12 2HD HIS 12 -10.127 -8.419 1.605
315 HE1 HIS 12 1HE HIS 12 -13.665 -8.388 -0.682
316 H VAL 13 H VAL 13 -6.529 -9.176 -1.534
317 HA VAL 13 HA VAL 13 -5.201 -11.784 -1.469
318 HB VAL 13 HB VAL 13 -4.569 -11.355 -3.860
319 HG11 VAL 13 1HG1 VAL 13 -6.807 -12.130 -4.701
320 HG12 VAL 13 2HG1 VAL 13 -7.509 -11.609 -3.166
321 HG13 VAL 13 3HG1 VAL 13 -6.357 -12.943 -3.195
322 HG21 VAL 13 3HG2 VAL 13 -5.065 -8.977 -4.009
323 HG22 VAL 13 1HG2 VAL 13 -6.768 -9.292 -3.679
324 HG23 VAL 13 2HG2 VAL 13 -6.040 -9.866 -5.179
325 H GLY 14 H GLY 14 -4.641 -8.412 -2.153
326 HA2 GLY 14 2HA GLY 14 -2.699 -7.488 -0.748
327 HA3 GLY 14 1HA GLY 14 -1.812 -8.811 -1.397
328 H CYS 15 H CYS 15 -0.957 -6.278 -1.714
329 HA CYS 15 HA CYS 15 -1.105 -5.978 -4.597
330 HB2 CYS 15 2HB CYS 15 -1.484 -3.565 -4.408
331 HB3 CYS 15 1HB CYS 15 -2.849 -4.506 -3.829
332 H THR 16 H THR 16 0.543 -4.432 -5.343
333 HA THR 16 HA THR 16 2.929 -4.827 -3.938
334 HB THR 16 HB THR 16 3.756 -3.278 -5.828
335 HG1 THR 16 1HG THR 16 2.264 -3.157 -7.584
336 HG21 THR 16 3HG2 THR 16 3.689 -5.133 -7.449
337 HG22 THR 16 1HG2 THR 16 2.456 -5.939 -6.478
338 HG23 THR 16 2HG2 THR 16 4.089 -5.705 -5.840
339 H LYS 17 H LYS 17 4.222 -3.192 -3.266
340 HA LYS 17 HA LYS 17 2.914 -1.203 -1.595
341 HB2 LYS 17 2HB LYS 17 5.128 -2.538 -1.307
342 HB3 LYS 17 1HB LYS 17 5.858 -1.293 -2.294
343 HG2 LYS 17 2HG LYS 17 6.293 -0.838 -0.005
344 HG3 LYS 17 1HG LYS 17 5.129 0.348 -0.592
345 HD2 LYS 17 2HD LYS 17 3.305 -0.923 0.444
346 HD3 LYS 17 1HD LYS 17 4.455 -2.141 0.988
347 HE2 LYS 17 2HE LYS 17 4.430 0.763 1.833
348 HE3 LYS 17 1HE LYS 17 3.808 -0.585 2.775
349 HZ1 LYS 17 3HZ LYS 17 6.004 0.063 3.498
350 HZ2 LYS 17 1HZ LYS 17 6.671 -0.238 1.994
351 HZ3 LYS 17 2HZ LYS 17 6.045 -1.490 2.911
352 H ARG 18 H ARG 18 4.462 -1.210 -4.695
353 HA ARG 18 HA ARG 18 4.378 1.557 -5.229
354 HB2 ARG 18 2HB ARG 18 4.320 -0.875 -7.003
355 HB3 ARG 18 1HB ARG 18 4.254 0.752 -7.658
356 HG2 ARG 18 2HG ARG 18 6.398 1.268 -6.737
357 HG3 ARG 18 1HG ARG 18 6.471 -0.287 -5.909
358 HD2 ARG 18 2HD ARG 18 6.618 -1.463 -7.966
359 HD3 ARG 18 1HD ARG 18 6.215 -0.026 -8.900
360 HE ARG 18 HE ARG 18 8.512 0.451 -7.379
361 HH11 ARG 18 1HH1 ARG 18 7.547 -1.525 -10.152
362 HH12 ARG 18 2HH1 ARG 18 9.031 -1.366 -10.966
363 HH21 ARG 18 1HH2 ARG 18 10.587 0.660 -8.502
364 HH22 ARG 18 2HH2 ARG 18 10.757 -0.084 -10.032
365 H SER 19 H SER 19 1.925 -0.883 -5.171
366 HA SER 19 HA SER 19 0.056 0.523 -6.777
367 HB2 SER 19 2HB SER 19 0.034 -1.925 -6.567
368 HB3 SER 19 1HB SER 19 -0.344 -1.814 -4.867
369 HG SER 19 HG SER 19 -2.298 -0.635 -5.584
370 H LEU 20 H LEU 20 0.650 0.143 -3.311
371 HA LEU 20 HA LEU 20 -1.521 2.004 -2.673
372 HB2 LEU 20 2HB LEU 20 0.729 1.612 -0.666
373 HB3 LEU 20 1HB LEU 20 -0.929 2.007 -0.440
374 HG LEU 20 HG LEU 20 -1.487 -0.386 -1.170
375 HD11 LEU 20 1HD1 LEU 20 0.215 -2.020 -0.641
376 HD12 LEU 20 2HD1 LEU 20 1.371 -0.722 -0.360
377 HD13 LEU 20 3HD1 LEU 20 0.720 -0.991 -1.981
378 HD21 LEU 20 3HD2 LEU 20 -1.835 0.422 1.080
379 HD22 LEU 20 1HD2 LEU 20 -0.113 0.196 1.430
380 HD23 LEU 20 2HD2 LEU 20 -1.136 -1.201 1.107
381 H ALA 21 H ALA 21 1.746 2.244 -3.417
382 HA ALA 21 HA ALA 21 2.244 4.917 -2.685
383 HB1 ALA 21 1HB ALA 21 4.095 4.913 -4.206
384 HB2 ALA 21 2HB ALA 21 3.388 3.587 -5.120
385 HB3 ALA 21 3HB ALA 21 3.975 3.301 -3.485
386 H ARG 22 H ARG 22 0.635 3.671 -5.524
387 HA ARG 22 HA ARG 22 0.493 6.316 -6.685
388 HB2 ARG 22 2HB ARG 22 -0.709 5.247 -8.569
389 HB3 ARG 22 1HB ARG 22 0.842 4.507 -8.235
390 HG2 ARG 22 2HG ARG 22 -0.352 2.686 -7.031
391 HG3 ARG 22 1HG ARG 22 -1.878 3.413 -7.539
392 HD2 ARG 22 2HD ARG 22 -1.283 3.119 -9.870
393 HD3 ARG 22 1HD ARG 22 0.300 2.503 -9.417
394 HE ARG 22 HE ARG 22 -2.196 1.110 -8.705
395 HH11 ARG 22 1HH1 ARG 22 1.098 1.036 -10.026
396 HH12 ARG 22 2HH1 ARG 22 1.065 -0.611 -10.420
397 HH21 ARG 22 1HH2 ARG 22 -2.208 -1.217 -9.225
398 HH22 ARG 22 2HH2 ARG 22 -0.831 -1.914 -9.940
399 H PHE 23 H PHE 23 -1.074 5.149 -4.214
400 HA PHE 23 HA PHE 23 -3.520 6.627 -4.892
401 HB2 PHE 23 2HB PHE 23 -3.293 4.132 -3.223
402 HB3 PHE 23 1HB PHE 23 -4.674 5.212 -3.097
403 HD1 PHE 23 1HD PHE 23 -2.871 2.907 -5.321
404 HD2 PHE 23 2HD PHE 23 -6.369 5.234 -4.747
405 HE1 PHE 23 1HE PHE 23 -3.936 1.746 -7.189
406 HE2 PHE 23 2HE PHE 23 -7.447 4.085 -6.621
407 HZ PHE 23 HZ PHE 23 -6.237 2.330 -7.851
408 H CYS 24 H CYS 24 -1.792 5.479 -2.118
409 HA CYS 24 HA CYS 24 -1.167 6.408 -0.146
410 HB2 CYS 24 2HB CYS 24 -1.762 9.100 -1.412
411 HB3 CYS 24 1HB CYS 24 -0.926 8.856 0.112
412 HN1 NH2 25 HT1 CYS 24 -3.782 8.641 -1.053
413 HN2 NH2 25 HT2 CYS 24 -4.764 8.255 0.321
Start of MODEL 11
1 H1 ASP 1 1HT ASP 1 10.129 -5.908 2.617
2 H2 ASP 1 2HT ASP 1 11.483 -5.837 1.620
3 H3 ASP 1 3HT ASP 1 9.922 -5.654 0.978
4 HA ASP 1 HA ASP 1 9.546 -3.646 2.054
5 HB2 ASP 1 2HB ASP 1 12.253 -4.039 3.317
6 HB3 ASP 1 1HB ASP 1 11.444 -2.482 3.242
7 H SER 2 H SER 2 11.978 -4.881 -0.038
8 HA SER 2 HA SER 2 13.002 -2.417 -0.936
9 HB2 SER 2 2HB SER 2 12.611 -4.892 -2.533
10 HB3 SER 2 1HB SER 2 13.854 -3.684 -2.770
11 HG SER 2 HG SER 2 14.541 -4.266 -0.529
12 H TRP 3 H TRP 3 12.218 -1.109 -2.416
13 HA TRP 3 HA TRP 3 9.374 -0.952 -2.400
14 HB2 TRP 3 2HB TRP 3 11.332 0.918 -3.707
15 HB3 TRP 3 1HB TRP 3 9.602 1.210 -3.578
16 HD1 TRP 3 HD TRP 3 12.683 2.072 -1.893
17 HE1 TRP 3 1HE TRP 3 12.278 2.840 0.514
18 HE3 TRP 3 3HE TRP 3 7.885 0.406 -1.298
19 HZ2 TRP 3 2HZ TRP 3 10.211 2.751 2.430
20 HZ3 TRP 3 3HZ TRP 3 6.783 0.762 0.839
21 HH2 TRP 3 HH TRP 3 7.912 1.921 2.680
22 H MET 4 H MET 4 11.489 -2.112 -4.851
23 HA MET 4 HA MET 4 9.530 -1.589 -6.903
24 HB2 MET 4 2HB MET 4 11.926 -1.578 -7.481
25 HB3 MET 4 1HB MET 4 12.031 -3.277 -7.056
26 HG2 MET 4 2HG MET 4 11.892 -2.990 -9.463
27 HG3 MET 4 1HG MET 4 10.486 -3.850 -8.837
28 HE1 MET 4 3HE MET 4 11.859 -0.456 -10.253
29 HE2 MET 4 1HE MET 4 11.214 0.049 -8.691
30 HE3 MET 4 2HE MET 4 10.435 0.581 -10.180
31 H GLU 5 H GLU 5 10.704 -4.419 -5.161
32 HA GLU 5 HA GLU 5 8.416 -5.837 -6.252
33 HB2 GLU 5 2HB GLU 5 11.068 -6.897 -5.341
34 HB3 GLU 5 1HB GLU 5 9.672 -7.943 -5.577
35 HG2 GLU 5 2HG GLU 5 10.876 -6.163 -7.680
36 HG3 GLU 5 1HG GLU 5 11.191 -7.891 -7.516
37 H GLU 6 H GLU 6 6.906 -5.331 -4.914
38 HA GLU 6 HA GLU 6 7.018 -6.411 -2.222
39 HB2 GLU 6 2HB GLU 6 6.574 -3.536 -2.896
40 HB3 GLU 6 1HB GLU 6 5.797 -4.292 -1.515
41 HG2 GLU 6 2HG GLU 6 8.745 -4.316 -1.894
42 HG3 GLU 6 1HG GLU 6 7.890 -3.002 -1.088
43 H VAL 7 H VAL 7 5.253 -7.478 -1.915
44 HA VAL 7 HA VAL 7 2.720 -6.426 -2.592
45 HB VAL 7 HB VAL 7 3.074 -7.644 -4.681
46 HG11 VAL 7 1HG1 VAL 7 3.485 -10.058 -4.779
47 HG12 VAL 7 2HG1 VAL 7 3.683 -10.081 -3.026
48 HG13 VAL 7 3HG1 VAL 7 4.819 -9.179 -4.029
49 HG21 VAL 7 3HG2 VAL 7 0.813 -7.739 -3.774
50 HG22 VAL 7 1HG2 VAL 7 1.217 -9.190 -2.865
51 HG23 VAL 7 2HG2 VAL 7 1.184 -9.236 -4.626
52 H ILE 8 H ILE 8 1.773 -6.471 -0.780
53 HA ILE 8 HA ILE 8 1.993 -8.816 0.942
54 HB ILE 8 HB ILE 8 2.123 -7.388 2.952
55 HG12 ILE 8 2HG1 ILE 8 2.528 -5.121 1.004
56 HG13 ILE 8 1HG1 ILE 8 1.117 -5.370 2.008
57 HG21 ILE 8 1HG2 ILE 8 4.403 -6.917 1.050
58 HG22 ILE 8 2HG2 ILE 8 4.192 -8.312 2.110
59 HG23 ILE 8 3HG2 ILE 8 4.474 -6.713 2.800
60 HD11 ILE 8 3HD1 ILE 8 3.892 -4.771 3.025
61 HD12 ILE 8 1HD1 ILE 8 2.461 -5.028 4.023
62 HD13 ILE 8 2HD1 ILE 8 2.545 -3.635 2.945
63 H LYS 9 H LYS 9 0.349 -8.514 2.737
64 HA LYS 9 HA LYS 9 -2.001 -7.243 1.606
65 HB2 LYS 9 2HB LYS 9 -3.391 -8.911 2.869
66 HB3 LYS 9 1HB LYS 9 -2.424 -9.601 1.577
67 HG2 LYS 9 2HG LYS 9 -0.831 -10.453 3.172
68 HG3 LYS 9 1HG LYS 9 -1.689 -9.664 4.494
69 HD2 LYS 9 2HD LYS 9 -2.186 -12.070 4.350
70 HD3 LYS 9 1HD LYS 9 -3.629 -11.085 4.121
71 HE2 LYS 9 2HE LYS 9 -3.547 -11.452 1.743
72 HE3 LYS 9 1HE LYS 9 -1.995 -12.276 1.878
73 HZ1 LYS 9 3HZ LYS 9 -4.561 -13.235 3.052
74 HZ2 LYS 9 1HZ LYS 9 -3.083 -14.017 3.154
75 HZ3 LYS 9 2HZ LYS 9 -3.843 -13.856 1.669
76 H LEU 10 H LEU 10 -3.193 -5.989 2.935
77 HA LEU 10 HA LEU 10 -2.722 -5.769 5.732
78 HB2 LEU 10 2HB LEU 10 -2.321 -3.337 5.665
79 HB3 LEU 10 1HB LEU 10 -0.867 -4.076 5.289
80 HG LEU 10 HG LEU 10 -2.741 -2.564 3.725
81 HD11 LEU 10 1HD1 LEU 10 -0.797 -1.522 4.975
82 HD12 LEU 10 2HD1 LEU 10 -0.670 -1.234 3.242
83 HD13 LEU 10 3HD1 LEU 10 0.298 -2.496 3.995
84 HD21 LEU 10 3HD2 LEU 10 -0.513 -4.174 2.501
85 HD22 LEU 10 1HD2 LEU 10 -1.398 -2.909 1.651
86 HD23 LEU 10 2HD2 LEU 10 -2.241 -4.360 2.199
87 H CYS 11 H CYS 11 -4.028 -3.897 6.524
88 HA CYS 11 HA CYS 11 -6.489 -3.486 5.056
89 HB2 CYS 11 2HB CYS 11 -6.530 -5.108 7.562
90 HB3 CYS 11 1HB CYS 11 -7.921 -4.645 6.610
91 H GLY 12 H GLY 12 -7.902 -2.124 6.269
92 HA2 GLY 12 2HA GLY 12 -8.380 -0.279 7.606
93 HA3 GLY 12 1HA GLY 12 -7.784 -1.330 8.860
94 H ARG 13 H ARG 13 -6.508 -0.448 10.052
95 HA ARG 13 HA ARG 13 -5.209 2.042 9.685
96 HB2 ARG 13 2HB ARG 13 -4.533 -0.076 11.742
97 HB3 ARG 13 1HB ARG 13 -4.181 1.640 11.843
98 HG2 ARG 13 2HG ARG 13 -6.593 2.116 11.975
99 HG3 ARG 13 1HG ARG 13 -6.921 0.388 11.888
100 HD2 ARG 13 2HD ARG 13 -5.585 0.079 13.960
101 HD3 ARG 13 1HD ARG 13 -5.412 1.832 14.059
102 HE ARG 13 HE ARG 13 -8.117 1.292 13.847
103 HH11 ARG 13 1HH1 ARG 13 -5.548 0.884 16.222
104 HH12 ARG 13 2HH1 ARG 13 -6.592 0.657 17.543
105 HH21 ARG 13 1HH2 ARG 13 -9.568 1.059 15.673
106 HH22 ARG 13 2HH2 ARG 13 -8.935 0.777 17.222
107 H GLU 14 H GLU 14 -4.171 -1.315 9.427
108 HA GLU 14 HA GLU 14 -1.408 -0.839 9.157
109 HB2 GLU 14 2HB GLU 14 -3.140 -3.054 8.127
110 HB3 GLU 14 1HB GLU 14 -1.400 -3.034 7.939
111 HG2 GLU 14 2HG GLU 14 -1.203 -2.976 10.411
112 HG3 GLU 14 1HG GLU 14 -2.960 -3.139 10.506
113 H LEU 15 H LEU 15 -4.060 -0.847 6.820
114 HA LEU 15 HA LEU 15 -2.543 -0.887 4.518
115 HB2 LEU 15 2HB LEU 15 -5.182 0.507 5.057
116 HB3 LEU 15 1HB LEU 15 -4.448 0.586 3.483
117 HG LEU 15 HG LEU 15 -5.114 -2.069 4.706
118 HD11 LEU 15 1HD1 LEU 15 -7.306 -1.879 3.588
119 HD12 LEU 15 2HD1 LEU 15 -6.950 -0.199 3.168
120 HD13 LEU 15 3HD1 LEU 15 -7.134 -0.676 4.860
121 HD21 LEU 15 3HD2 LEU 15 -3.784 -1.706 2.517
122 HD22 LEU 15 1HD2 LEU 15 -5.320 -1.165 1.865
123 HD23 LEU 15 2HD2 LEU 15 -5.163 -2.815 2.514
124 H VAL 16 H VAL 16 -3.745 1.658 6.586
125 HA VAL 16 HA VAL 16 -2.817 3.931 5.142
126 HB VAL 16 HB VAL 16 -3.597 3.652 8.068
127 HG11 VAL 16 1HG1 VAL 16 -3.917 6.054 8.089
128 HG12 VAL 16 2HG1 VAL 16 -3.341 6.165 6.424
129 HG13 VAL 16 3HG1 VAL 16 -2.241 5.656 7.708
130 HG21 VAL 16 3HG2 VAL 16 -5.734 4.603 7.374
131 HG22 VAL 16 1HG2 VAL 16 -5.398 3.074 6.560
132 HG23 VAL 16 2HG2 VAL 16 -5.184 4.603 5.700
133 H ARG 17 H ARG 17 -1.530 2.142 7.850
134 HA ARG 17 HA ARG 17 0.654 3.755 8.406
135 HB2 ARG 17 2HB ARG 17 0.004 0.923 8.916
136 HB3 ARG 17 1HB ARG 17 1.700 1.330 9.045
137 HG2 ARG 17 2HG ARG 17 0.451 1.414 11.203
138 HG3 ARG 17 1HG ARG 17 1.243 2.931 10.787
139 HD2 ARG 17 2HD ARG 17 -0.862 3.837 9.996
140 HD3 ARG 17 1HD ARG 17 -1.657 2.300 10.289
141 HE ARG 17 HE ARG 17 -0.882 2.765 12.693
142 HH11 ARG 17 1HH1 ARG 17 -1.778 5.337 10.465
143 HH12 ARG 17 2HH1 ARG 17 -2.723 6.210 11.573
144 HH21 ARG 17 1HH2 ARG 17 -2.141 3.988 14.267
145 HH22 ARG 17 2HH2 ARG 17 -2.926 5.427 13.807
146 H ALA 18 H ALA 18 0.453 1.186 6.075
147 HA ALA 18 HA ALA 18 3.186 1.567 5.272
148 HB1 ALA 18 1HB ALA 18 2.726 0.037 3.438
149 HB2 ALA 18 2HB ALA 18 1.002 0.106 3.802
150 HB3 ALA 18 3HB ALA 18 2.120 -0.617 4.959
151 H GLN 19 H GLN 19 0.022 2.493 3.939
152 HA GLN 19 HA GLN 19 0.848 3.633 1.558
153 HB2 GLN 19 2HB GLN 19 -1.428 3.982 3.393
154 HB3 GLN 19 1HB GLN 19 -1.275 5.174 2.131
155 HG2 GLN 19 2HG GLN 19 -1.340 3.425 0.475
156 HG3 GLN 19 1HG GLN 19 -1.412 2.174 1.737
157 HE21 GLN 19 1HE2 GLN 19 -3.238 2.708 -0.448
158 HE22 GLN 19 2HE2 GLN 19 -4.758 3.083 0.280
159 H ILE 20 H ILE 20 0.268 5.242 4.644
160 HA ILE 20 HA ILE 20 1.130 7.792 3.834
161 HB ILE 20 HB ILE 20 0.906 6.597 6.609
162 HG12 ILE 20 2HG1 ILE 20 -1.220 6.667 5.457
163 HG13 ILE 20 1HG1 ILE 20 -1.200 7.876 6.732
164 HG21 ILE 20 1HG2 ILE 20 2.421 8.486 6.695
165 HG22 ILE 20 2HG2 ILE 20 0.890 8.885 7.476
166 HG23 ILE 20 3HG2 ILE 20 1.240 9.493 5.858
167 HD11 ILE 20 3HD1 ILE 20 -0.772 9.613 5.038
168 HD12 ILE 20 1HD1 ILE 20 -2.276 8.738 4.753
169 HD13 ILE 20 2HD1 ILE 20 -0.858 8.379 3.778
170 H ALA 21 H ALA 21 2.877 5.079 5.259
171 HA ALA 21 HA ALA 21 5.280 6.433 5.792
172 HB1 ALA 21 1HB ALA 21 4.802 4.189 6.663
173 HB2 ALA 21 2HB ALA 21 6.334 4.232 5.787
174 HB3 ALA 21 3HB ALA 21 4.903 3.540 5.027
175 H ILE 22 H ILE 22 4.238 4.632 2.929
176 HA ILE 22 HA ILE 22 6.623 5.065 1.403
177 HB ILE 22 HB ILE 22 3.861 4.628 0.235
178 HG12 ILE 22 2HG1 ILE 22 5.785 2.473 1.080
179 HG13 ILE 22 1HG1 ILE 22 4.442 2.994 2.088
180 HG21 ILE 22 1HG2 ILE 22 5.632 5.143 -1.369
181 HG22 ILE 22 2HG2 ILE 22 5.183 3.438 -1.510
182 HG23 ILE 22 3HG2 ILE 22 6.657 3.894 -0.666
183 HD11 ILE 22 3HD1 ILE 22 2.878 2.367 0.329
184 HD12 ILE 22 1HD1 ILE 22 3.859 1.004 0.859
185 HD13 ILE 22 2HD1 ILE 22 4.222 1.820 -0.669
186 H CYS 23 H CYS 23 3.736 6.843 1.976
187 HA CYS 23 HA CYS 23 3.836 8.580 -0.279
188 HB2 CYS 23 2HB CYS 23 1.830 7.864 1.144
189 HB3 CYS 23 1HB CYS 23 2.389 9.031 2.324
190 H GLY 24 H GLY 24 5.265 8.545 2.878
191 HA2 GLY 24 2HA GLY 24 6.188 11.318 2.555
192 HA3 GLY 24 1HA GLY 24 6.252 10.393 4.050
193 H MET 25 H MET 25 7.279 8.008 2.713
194 HA MET 25 HA MET 25 10.017 8.896 2.323
195 HB2 MET 25 2HB MET 25 8.978 6.193 3.224
196 HB3 MET 25 1HB MET 25 10.667 6.566 2.933
197 HG2 MET 25 2HG MET 25 8.904 7.769 5.057
198 HG3 MET 25 1HG MET 25 10.181 6.579 5.301
199 HE1 MET 25 3HE MET 25 11.748 9.716 6.986
200 HE2 MET 25 1HE MET 25 11.359 8.003 7.154
201 HE3 MET 25 2HE MET 25 10.064 9.195 7.032
202 H SER 26 H SER 26 8.913 9.382 0.309
203 HA SER 26 HA SER 26 8.433 7.258 -1.578
204 HB2 SER 26 2HB SER 26 8.621 10.235 -1.953
205 HB3 SER 26 1HB SER 26 7.992 9.066 -3.119
206 HG SER 26 HG SER 26 6.763 8.567 -0.871
207 H THR 27 H THR 27 11.111 7.401 -0.435
208 HA THR 27 HA THR 27 12.691 7.428 -2.824
209 HB THR 27 HB THR 27 13.693 8.554 -0.204
210 HG1 THR 27 1HG THR 27 12.873 10.229 -2.355
211 HG21 THR 27 3HG2 THR 27 15.331 9.712 -1.674
212 HG22 THR 27 1HG2 THR 27 14.591 8.940 -3.072
213 HG23 THR 27 2HG2 THR 27 15.401 7.963 -1.841
214 H TRP 28 H TRP 28 14.742 6.279 -1.953
215 HA TRP 28 HA TRP 28 13.848 3.990 -0.460
216 HB2 TRP 28 2HB TRP 28 16.446 4.568 -1.874
217 HB3 TRP 28 1HB TRP 28 16.218 3.136 -0.879
218 HD1 TRP 28 HD TRP 28 14.922 1.155 -1.892
219 HE1 TRP 28 1HE TRP 28 13.929 0.639 -4.190
220 HE3 TRP 28 3HE TRP 28 15.216 5.818 -3.980
221 HZ2 TRP 28 2HZ TRP 28 13.334 2.006 -6.578
222 HZ3 TRP 28 3HZ TRP 28 14.409 6.117 -6.282
223 HH2 TRP 28 HH TRP 28 13.488 4.249 -7.550
224 H SER 29 H SER 29 13.430 5.129 1.386
225 HA SER 29 HA SER 29 15.752 5.795 3.045
226 HB2 SER 29 2HB SER 29 12.872 6.663 3.400
227 HB3 SER 29 1HB SER 29 14.288 7.288 4.245
228 HG SER 29 HG SER 29 15.005 7.830 1.965
229 HN1 NH2 30 HT1 SER 29 16.084 3.734 3.810
230 HN2 NH2 30 HT2 SER 29 14.929 2.815 4.711
231 HA PCA 1 HA PCA 1 -13.624 4.682 -6.835
232 HB2 PCA 1 2HB PCA 1 -12.538 4.925 -4.214
233 HB3 PCA 1 1HB PCA 1 -13.631 6.081 -5.023
234 HG2 PCA 1 2HG PCA 1 -14.217 4.323 -2.816
235 HG3 PCA 1 1HG PCA 1 -15.352 5.425 -3.668
236 H LEU 2 H LEU 2 -11.308 4.636 -6.875
237 HA LEU 2 HA LEU 2 -10.307 1.984 -7.000
238 HB2 LEU 2 2HB LEU 2 -8.913 4.633 -7.290
239 HB3 LEU 2 1HB LEU 2 -8.148 3.086 -7.581
240 HG LEU 2 HG LEU 2 -10.479 4.206 -9.145
241 HD11 LEU 2 1HD1 LEU 2 -7.569 3.915 -9.869
242 HD12 LEU 2 2HD1 LEU 2 -8.421 5.429 -9.564
243 HD13 LEU 2 3HD1 LEU 2 -8.853 4.438 -10.957
244 HD21 LEU 2 3HD2 LEU 2 -8.835 1.702 -9.551
245 HD22 LEU 2 1HD2 LEU 2 -10.045 2.325 -10.671
246 HD23 LEU 2 2HD2 LEU 2 -10.534 1.770 -9.076
247 H TYR 3 H TYR 3 -10.049 4.562 -4.685
248 HA TYR 3 HA TYR 3 -7.981 3.534 -3.072
249 HB2 TYR 3 2HB TYR 3 -10.379 5.208 -2.349
250 HB3 TYR 3 1HB TYR 3 -9.226 4.683 -1.138
251 HD1 TYR 3 2HD TYR 3 -6.725 5.264 -1.696
252 HD2 TYR 3 1HD TYR 3 -10.084 7.265 -3.345
253 HE1 TYR 3 2HE TYR 3 -5.327 7.215 -2.137
254 HE2 TYR 3 1HE TYR 3 -8.694 9.234 -3.796
255 HH TYR 3 HH TYR 3 -5.275 9.164 -3.542
256 H SER 4 H SER 4 -11.487 3.125 -2.666
257 HA SER 4 HA SER 4 -11.307 1.282 -0.580
258 HB2 SER 4 2HB SER 4 -13.552 1.686 -2.555
259 HB3 SER 4 1HB SER 4 -13.674 0.999 -0.931
260 HG SER 4 HG SER 4 -14.029 2.955 -0.367
261 H ALA 5 H ALA 5 -11.314 0.897 -4.079
262 HA ALA 5 HA ALA 5 -11.684 -1.891 -4.161
263 HB1 ALA 5 1HB ALA 5 -10.105 -0.149 -6.063
264 HB2 ALA 5 2HB ALA 5 -11.838 -0.462 -6.166
265 HB3 ALA 5 3HB ALA 5 -10.686 -1.780 -6.395
266 H LEU 6 H LEU 6 -8.730 0.095 -4.162
267 HA LEU 6 HA LEU 6 -6.855 -1.980 -4.043
268 HB2 LEU 6 2HB LEU 6 -6.238 0.357 -4.510
269 HB3 LEU 6 1HB LEU 6 -6.708 0.821 -2.889
270 HG LEU 6 HG LEU 6 -4.893 -0.608 -1.990
271 HD11 LEU 6 1HD1 LEU 6 -4.136 -0.901 -4.881
272 HD12 LEU 6 2HD1 LEU 6 -4.700 -2.182 -3.804
273 HD13 LEU 6 3HD1 LEU 6 -3.151 -1.397 -3.508
274 HD21 LEU 6 3HD2 LEU 6 -4.471 1.773 -2.255
275 HD22 LEU 6 1HD2 LEU 6 -4.029 1.529 -3.944
276 HD23 LEU 6 2HD2 LEU 6 -3.014 0.879 -2.666
277 H ALA 7 H ALA 7 -8.442 -0.167 -1.458
278 HA ALA 7 HA ALA 7 -7.207 -1.283 0.739
279 HB1 ALA 7 1HB ALA 7 -9.178 -0.623 2.016
280 HB2 ALA 7 2HB ALA 7 -10.098 -0.452 0.520
281 HB3 ALA 7 3HB ALA 7 -8.743 0.627 0.849
282 H ASN 8 H ASN 8 -10.183 -2.423 -0.840
283 HA ASN 8 HA ASN 8 -10.449 -4.700 0.836
284 HB2 ASN 8 2HB ASN 8 -11.704 -3.978 -1.793
285 HB3 ASN 8 1HB ASN 8 -11.969 -5.556 -1.071
286 HD21 ASN 8 1HD2 ASN 8 -12.550 -2.150 -0.811
287 HD22 ASN 8 2HD2 ASN 8 -13.782 -2.242 0.375
288 H LYS 9 H LYS 9 -9.170 -4.330 -2.426
289 HA LYS 9 HA LYS 9 -8.626 -7.043 -2.850
290 HB2 LYS 9 2HB LYS 9 -7.506 -4.543 -4.022
291 HB3 LYS 9 1HB LYS 9 -6.951 -6.094 -4.588
292 HG2 LYS 9 2HG LYS 9 -9.332 -6.637 -5.145
293 HG3 LYS 9 1HG LYS 9 -9.757 -4.990 -4.681
294 HD2 LYS 9 2HD LYS 9 -9.514 -5.102 -7.081
295 HD3 LYS 9 1HD LYS 9 -8.196 -4.151 -6.405
296 HE2 LYS 9 2HE LYS 9 -6.685 -6.040 -6.603
297 HE3 LYS 9 1HE LYS 9 -8.005 -7.068 -7.163
298 HZ1 LYS 9 3HZ LYS 9 -8.206 -5.661 -9.101
299 HZ2 LYS 9 1HZ LYS 9 -6.640 -6.278 -8.989
300 HZ3 LYS 9 2HZ LYS 9 -6.950 -4.679 -8.559
301 H CYS 10 H CYS 10 -6.564 -4.519 -1.521
302 HA CYS 10 HA CYS 10 -4.298 -6.294 -1.362
303 HB2 CYS 10 2HB CYS 10 -4.411 -3.697 -1.625
304 HB3 CYS 10 1HB CYS 10 -4.586 -3.709 0.124
305 H CYS 11 H CYS 11 -7.045 -5.627 0.579
306 HA CYS 11 HA CYS 11 -5.897 -6.570 3.027
307 HB2 CYS 11 2HB CYS 11 -7.778 -4.972 2.938
308 HB3 CYS 11 1HB CYS 11 -8.778 -6.204 2.203
309 H HIS 12 H HIS 12 -7.714 -7.887 0.353
310 HA HIS 12 HA HIS 12 -7.973 -10.442 1.702
311 HB2 HIS 12 2HB HIS 12 -9.022 -9.464 -0.950
312 HB3 HIS 12 1HB HIS 12 -9.154 -11.142 -0.439
313 HD1 HIS 12 1HD HIS 12 -11.492 -11.535 0.368
314 HD2 HIS 12 2HD HIS 12 -10.061 -7.797 1.403
315 HE1 HIS 12 1HE HIS 12 -13.310 -10.469 1.759
316 H VAL 13 H VAL 13 -6.671 -9.438 -1.445
317 HA VAL 13 HA VAL 13 -5.098 -11.880 -1.335
318 HB VAL 13 HB VAL 13 -4.623 -11.511 -3.741
319 HG11 VAL 13 1HG1 VAL 13 -7.539 -11.600 -2.948
320 HG12 VAL 13 2HG1 VAL 13 -6.447 -12.982 -3.030
321 HG13 VAL 13 3HG1 VAL 13 -6.924 -12.142 -4.512
322 HG21 VAL 13 3HG2 VAL 13 -4.976 -9.107 -3.949
323 HG22 VAL 13 1HG2 VAL 13 -6.682 -9.301 -3.545
324 HG23 VAL 13 2HG2 VAL 13 -6.053 -9.964 -5.052
325 H GLY 14 H GLY 14 -4.680 -8.522 -2.130
326 HA2 GLY 14 2HA GLY 14 -2.813 -7.518 -0.708
327 HA3 GLY 14 1HA GLY 14 -1.816 -8.723 -1.453
328 H CYS 15 H CYS 15 -0.895 -6.408 -1.943
329 HA CYS 15 HA CYS 15 -1.460 -5.914 -4.718
330 HB2 CYS 15 2HB CYS 15 -1.969 -3.590 -4.449
331 HB3 CYS 15 1HB CYS 15 -3.149 -4.538 -3.559
332 H THR 16 H THR 16 0.033 -4.231 -5.508
333 HA THR 16 HA THR 16 2.562 -4.673 -4.391
334 HB THR 16 HB THR 16 3.361 -3.068 -6.153
335 HG1 THR 16 1HG THR 16 0.855 -3.209 -7.383
336 HG21 THR 16 3HG2 THR 16 1.630 -5.361 -7.097
337 HG22 THR 16 1HG2 THR 16 3.312 -5.474 -6.584
338 HG23 THR 16 2HG2 THR 16 2.894 -4.578 -8.044
339 H LYS 17 H LYS 17 3.809 -3.290 -3.447
340 HA LYS 17 HA LYS 17 2.720 -1.348 -1.579
341 HB2 LYS 17 2HB LYS 17 4.817 -2.805 -1.667
342 HB3 LYS 17 1HB LYS 17 5.606 -1.495 -2.487
343 HG2 LYS 17 2HG LYS 17 6.228 -1.423 -0.274
344 HG3 LYS 17 1HG LYS 17 5.010 -0.135 -0.396
345 HD2 LYS 17 2HD LYS 17 3.384 -1.507 0.675
346 HD3 LYS 17 1HD LYS 17 4.366 -2.956 0.463
347 HE2 LYS 17 2HE LYS 17 5.029 -0.609 2.239
348 HE3 LYS 17 1HE LYS 17 4.431 -2.178 2.777
349 HZ1 LYS 17 3HZ LYS 17 6.521 -3.149 1.689
350 HZ2 LYS 17 1HZ LYS 17 6.778 -2.196 3.049
351 HZ3 LYS 17 2HZ LYS 17 7.069 -1.569 1.558
352 H ARG 18 H ARG 18 4.140 -1.145 -4.732
353 HA ARG 18 HA ARG 18 4.257 1.682 -4.843
354 HB2 ARG 18 2HB ARG 18 4.341 -0.475 -6.926
355 HB3 ARG 18 1HB ARG 18 4.365 1.231 -7.348
356 HG2 ARG 18 2HG ARG 18 6.434 1.559 -6.196
357 HG3 ARG 18 1HG ARG 18 6.361 -0.061 -5.502
358 HD2 ARG 18 2HD ARG 18 6.477 0.447 -8.471
359 HD3 ARG 18 1HD ARG 18 7.914 0.237 -7.478
360 HE ARG 18 HE ARG 18 7.315 -1.991 -7.072
361 HH11 ARG 18 1HH1 ARG 18 5.105 -0.498 -9.391
362 HH12 ARG 18 2HH1 ARG 18 4.540 -1.982 -9.996
363 HH21 ARG 18 1HH2 ARG 18 6.584 -3.989 -7.945
364 HH22 ARG 18 2HH2 ARG 18 5.435 -4.014 -9.199
365 H SER 19 H SER 19 1.689 -0.597 -5.170
366 HA SER 19 HA SER 19 0.053 1.089 -6.781
367 HB2 SER 19 2HB SER 19 -1.638 -0.621 -6.583
368 HB3 SER 19 1HB SER 19 -0.100 -1.506 -6.458
369 HG SER 19 HG SER 19 -0.346 -1.698 -4.317
370 H LEU 20 H LEU 20 0.357 0.282 -3.369
371 HA LEU 20 HA LEU 20 -1.587 2.145 -2.312
372 HB2 LEU 20 2HB LEU 20 0.948 1.688 -0.817
373 HB3 LEU 20 1HB LEU 20 -0.673 1.853 -0.277
374 HG LEU 20 HG LEU 20 0.101 -0.692 -1.631
375 HD11 LEU 20 1HD1 LEU 20 1.697 -0.283 0.206
376 HD12 LEU 20 2HD1 LEU 20 0.579 -1.593 0.589
377 HD13 LEU 20 3HD1 LEU 20 0.346 0.003 1.302
378 HD21 LEU 20 3HD2 LEU 20 -1.949 0.083 0.434
379 HD22 LEU 20 1HD2 LEU 20 -1.663 -1.524 -0.241
380 HD23 LEU 20 2HD2 LEU 20 -2.246 -0.236 -1.290
381 H ALA 21 H ALA 21 1.701 2.332 -3.072
382 HA ALA 21 HA ALA 21 2.287 4.904 -2.187
383 HB1 ALA 21 1HB ALA 21 4.152 4.907 -3.676
384 HB2 ALA 21 2HB ALA 21 3.390 3.684 -4.687
385 HB3 ALA 21 3HB ALA 21 3.926 3.263 -3.065
386 H ARG 22 H ARG 22 0.706 3.955 -5.200
387 HA ARG 22 HA ARG 22 0.749 6.736 -6.051
388 HB2 ARG 22 2HB ARG 22 -0.294 5.982 -8.177
389 HB3 ARG 22 1HB ARG 22 1.254 5.239 -7.841
390 HG2 ARG 22 2HG ARG 22 0.196 3.182 -7.236
391 HG3 ARG 22 1HG ARG 22 -1.404 3.923 -7.342
392 HD2 ARG 22 2HD ARG 22 0.528 3.691 -9.646
393 HD3 ARG 22 1HD ARG 22 -0.798 2.566 -9.342
394 HE ARG 22 HE ARG 22 -2.176 4.770 -9.427
395 HH11 ARG 22 1HH1 ARG 22 0.545 4.010 -11.567
396 HH12 ARG 22 2HH1 ARG 22 -0.094 4.841 -12.893
397 HH21 ARG 22 1HH2 ARG 22 -3.044 5.879 -11.225
398 HH22 ARG 22 2HH2 ARG 22 -2.191 5.936 -12.716
399 H PHE 23 H PHE 23 -1.033 5.348 -3.947
400 HA PHE 23 HA PHE 23 -3.347 6.942 -4.730
401 HB2 PHE 23 2HB PHE 23 -3.379 4.291 -3.301
402 HB3 PHE 23 1HB PHE 23 -4.745 5.398 -3.235
403 HD1 PHE 23 2HD PHE 23 -5.873 6.056 -5.369
404 HD2 PHE 23 1HD PHE 23 -3.041 2.904 -5.174
405 HE1 PHE 23 2HE PHE 23 -6.701 5.178 -7.511
406 HE2 PHE 23 1HE PHE 23 -3.861 2.018 -7.309
407 HZ PHE 23 HZ PHE 23 -5.695 3.155 -8.482
408 H CYS 24 H CYS 24 -1.710 5.650 -1.966
409 HA CYS 24 HA CYS 24 -1.229 6.521 0.109
410 HB2 CYS 24 2HB CYS 24 -0.022 8.212 -1.201
411 HB3 CYS 24 1HB CYS 24 -1.492 9.145 -1.405
412 HN1 NH2 25 HT1 CYS 24 -3.254 5.656 0.898
413 HN2 NH2 25 HT2 CYS 24 -4.506 6.726 1.409
Start of MODEL 12
1 H1 ASP 1 1HT ASP 1 9.941 -2.016 2.206
2 H2 ASP 1 2HT ASP 1 10.217 -3.108 0.975
3 H3 ASP 1 3HT ASP 1 9.375 -1.700 0.644
4 HA ASP 1 HA ASP 1 11.350 -0.420 1.182
5 HB2 ASP 1 2HB ASP 1 12.634 -3.152 1.303
6 HB3 ASP 1 1HB ASP 1 13.507 -1.622 1.297
7 H SER 2 H SER 2 11.323 -3.383 -0.766
8 HA SER 2 HA SER 2 12.374 -1.887 -2.994
9 HB2 SER 2 2HB SER 2 12.166 -4.117 -4.169
10 HB3 SER 2 1HB SER 2 13.285 -3.986 -2.803
11 HG SER 2 HG SER 2 10.615 -4.874 -2.505
12 H TRP 3 H TRP 3 11.065 -0.627 -3.795
13 HA TRP 3 HA TRP 3 8.281 -0.633 -3.611
14 HB2 TRP 3 2HB TRP 3 9.914 0.894 -5.617
15 HB3 TRP 3 1HB TRP 3 8.256 1.245 -5.137
16 HD1 TRP 3 HD TRP 3 11.558 2.414 -4.502
17 HE1 TRP 3 1HE TRP 3 11.743 3.646 -2.237
18 HE3 TRP 3 3HE TRP 3 7.232 0.804 -2.373
19 HZ2 TRP 3 2HZ TRP 3 10.255 3.868 0.133
20 HZ3 TRP 3 3HZ TRP 3 6.680 1.532 -0.131
21 HH2 TRP 3 HH TRP 3 8.172 3.058 1.122
22 H MET 4 H MET 4 10.235 -1.641 -6.364
23 HA MET 4 HA MET 4 7.924 -1.914 -8.050
24 HB2 MET 4 2HB MET 4 10.778 -2.791 -8.494
25 HB3 MET 4 1HB MET 4 9.506 -2.944 -9.690
26 HG2 MET 4 2HG MET 4 9.231 -0.503 -9.695
27 HG3 MET 4 1HG MET 4 10.533 -0.366 -8.517
28 HE1 MET 4 3HE MET 4 12.633 -2.566 -9.556
29 HE2 MET 4 1HE MET 4 13.090 -0.938 -9.050
30 HE3 MET 4 2HE MET 4 13.648 -1.573 -10.597
31 H GLU 5 H GLU 5 9.121 -3.843 -5.636
32 HA GLU 5 HA GLU 5 8.046 -6.249 -6.939
33 HB2 GLU 5 2HB GLU 5 10.224 -6.044 -4.880
34 HB3 GLU 5 1HB GLU 5 9.518 -7.556 -5.438
35 HG2 GLU 5 2HG GLU 5 10.256 -7.087 -7.699
36 HG3 GLU 5 1HG GLU 5 10.930 -5.548 -7.171
37 H GLU 6 H GLU 6 7.720 -4.159 -4.234
38 HA GLU 6 HA GLU 6 6.676 -5.956 -2.411
39 HB2 GLU 6 2HB GLU 6 6.566 -3.018 -2.634
40 HB3 GLU 6 1HB GLU 6 5.590 -3.834 -1.436
41 HG2 GLU 6 2HG GLU 6 7.713 -4.895 -0.623
42 HG3 GLU 6 1HG GLU 6 8.569 -3.777 -1.694
43 H VAL 7 H VAL 7 5.083 -6.931 -2.378
44 HA VAL 7 HA VAL 7 2.482 -5.831 -3.026
45 HB VAL 7 HB VAL 7 2.898 -7.325 -4.931
46 HG11 VAL 7 1HG1 VAL 7 4.680 -8.678 -4.003
47 HG12 VAL 7 2HG1 VAL 7 3.417 -9.686 -4.701
48 HG13 VAL 7 3HG1 VAL 7 3.528 -9.499 -2.947
49 HG21 VAL 7 3HG2 VAL 7 1.057 -8.662 -2.940
50 HG22 VAL 7 1HG2 VAL 7 1.072 -8.968 -4.677
51 HG23 VAL 7 2HG2 VAL 7 0.629 -7.377 -4.059
52 H ILE 8 H ILE 8 1.488 -5.683 -1.192
53 HA ILE 8 HA ILE 8 2.233 -7.649 0.765
54 HB ILE 8 HB ILE 8 1.949 -5.691 2.510
55 HG12 ILE 8 2HG1 ILE 8 3.095 -3.654 1.686
56 HG13 ILE 8 1HG1 ILE 8 3.003 -4.313 0.051
57 HG21 ILE 8 1HG2 ILE 8 3.863 -7.125 2.355
58 HG22 ILE 8 2HG2 ILE 8 4.403 -5.448 2.478
59 HG23 ILE 8 3HG2 ILE 8 4.434 -6.273 0.922
60 HD11 ILE 8 3HD1 ILE 8 0.718 -3.441 1.797
61 HD12 ILE 8 1HD1 ILE 8 0.543 -4.192 0.206
62 HD13 ILE 8 2HD1 ILE 8 1.333 -2.625 0.363
63 H LYS 9 H LYS 9 0.961 -7.283 2.811
64 HA LYS 9 HA LYS 9 -1.848 -7.651 2.026
65 HB2 LYS 9 2HB LYS 9 -0.615 -9.770 2.328
66 HB3 LYS 9 1HB LYS 9 -0.210 -9.283 3.965
67 HG2 LYS 9 2HG LYS 9 -1.987 -10.848 4.069
68 HG3 LYS 9 1HG LYS 9 -2.644 -9.262 4.476
69 HD2 LYS 9 2HD LYS 9 -3.571 -9.034 2.266
70 HD3 LYS 9 1HD LYS 9 -2.803 -10.536 1.747
71 HE2 LYS 9 2HE LYS 9 -4.930 -10.237 3.859
72 HE3 LYS 9 1HE LYS 9 -5.149 -10.900 2.241
73 HZ1 LYS 9 3HZ LYS 9 -4.938 -12.640 3.868
74 HZ2 LYS 9 1HZ LYS 9 -3.451 -12.070 4.384
75 HZ3 LYS 9 2HZ LYS 9 -3.622 -12.707 2.833
76 H LEU 10 H LEU 10 -3.121 -6.342 3.296
77 HA LEU 10 HA LEU 10 -2.704 -5.830 6.030
78 HB2 LEU 10 2HB LEU 10 -2.438 -3.412 5.865
79 HB3 LEU 10 1HB LEU 10 -0.942 -4.072 5.497
80 HG LEU 10 HG LEU 10 -2.852 -2.581 3.998
81 HD11 LEU 10 1HD1 LEU 10 0.179 -2.717 3.986
82 HD12 LEU 10 2HD1 LEU 10 -0.766 -1.661 5.010
83 HD13 LEU 10 3HD1 LEU 10 -0.761 -1.419 3.254
84 HD21 LEU 10 3HD2 LEU 10 -2.637 -4.484 2.561
85 HD22 LEU 10 1HD2 LEU 10 -0.892 -4.344 2.537
86 HD23 LEU 10 2HD2 LEU 10 -1.884 -3.082 1.775
87 H CYS 11 H CYS 11 -4.149 -4.012 6.685
88 HA CYS 11 HA CYS 11 -6.495 -3.536 5.074
89 HB2 CYS 11 2HB CYS 11 -6.737 -5.122 7.610
90 HB3 CYS 11 1HB CYS 11 -8.078 -4.558 6.635
91 H GLY 12 H GLY 12 -7.969 -2.118 6.295
92 HA2 GLY 12 2HA GLY 12 -8.368 -0.258 7.554
93 HA3 GLY 12 1HA GLY 12 -7.826 -1.282 8.858
94 H ARG 13 H ARG 13 -6.540 -0.348 10.029
95 HA ARG 13 HA ARG 13 -5.210 2.093 9.467
96 HB2 ARG 13 2HB ARG 13 -4.953 0.180 11.774
97 HB3 ARG 13 1HB ARG 13 -4.202 1.771 11.723
98 HG2 ARG 13 2HG ARG 13 -6.344 2.842 11.658
99 HG3 ARG 13 1HG ARG 13 -7.161 1.288 11.497
100 HD2 ARG 13 2HD ARG 13 -7.268 2.191 13.798
101 HD3 ARG 13 1HD ARG 13 -6.456 0.637 13.700
102 HE ARG 13 HE ARG 13 -4.349 1.852 13.814
103 HH11 ARG 13 1HH1 ARG 13 -7.199 3.663 14.891
104 HH12 ARG 13 2HH1 ARG 13 -6.348 4.506 16.106
105 HH21 ARG 13 1HH2 ARG 13 -3.209 3.031 15.445
106 HH22 ARG 13 2HH2 ARG 13 -4.035 4.165 16.418
107 H GLU 14 H GLU 14 -4.228 -1.239 9.383
108 HA GLU 14 HA GLU 14 -1.414 -0.840 9.213
109 HB2 GLU 14 2HB GLU 14 -3.232 -3.043 8.274
110 HB3 GLU 14 1HB GLU 14 -1.489 -3.107 8.091
111 HG2 GLU 14 2HG GLU 14 -2.883 -2.776 10.738
112 HG3 GLU 14 1HG GLU 14 -2.423 -4.340 10.063
113 H LEU 15 H LEU 15 -4.034 -0.806 6.873
114 HA LEU 15 HA LEU 15 -2.472 -0.875 4.578
115 HB2 LEU 15 2HB LEU 15 -5.115 0.558 5.041
116 HB3 LEU 15 1HB LEU 15 -4.352 0.542 3.477
117 HG LEU 15 HG LEU 15 -5.099 -2.052 4.796
118 HD11 LEU 15 1HD1 LEU 15 -7.076 -0.576 4.900
119 HD12 LEU 15 2HD1 LEU 15 -7.286 -1.853 3.710
120 HD13 LEU 15 3HD1 LEU 15 -6.894 -0.214 3.180
121 HD21 LEU 15 3HD2 LEU 15 -3.770 -1.840 2.600
122 HD22 LEU 15 1HD2 LEU 15 -5.261 -1.208 1.928
123 HD23 LEU 15 2HD2 LEU 15 -5.219 -2.849 2.604
124 H VAL 16 H VAL 16 -3.701 1.666 6.628
125 HA VAL 16 HA VAL 16 -2.759 3.957 5.207
126 HB VAL 16 HB VAL 16 -3.390 3.737 8.170
127 HG11 VAL 16 1HG1 VAL 16 -2.236 5.802 7.586
128 HG12 VAL 16 2HG1 VAL 16 -3.916 6.117 8.031
129 HG13 VAL 16 3HG1 VAL 16 -3.439 6.120 6.335
130 HG21 VAL 16 3HG2 VAL 16 -5.242 4.364 5.877
131 HG22 VAL 16 1HG2 VAL 16 -5.653 4.479 7.588
132 HG23 VAL 16 2HG2 VAL 16 -5.266 2.911 6.878
133 H ARG 17 H ARG 17 -1.441 2.077 7.846
134 HA ARG 17 HA ARG 17 0.804 3.594 8.379
135 HB2 ARG 17 2HB ARG 17 0.156 0.730 8.678
136 HB3 ARG 17 1HB ARG 17 1.808 1.208 8.963
137 HG2 ARG 17 2HG ARG 17 0.955 2.849 10.641
138 HG3 ARG 17 1HG ARG 17 -0.657 2.162 10.395
139 HD2 ARG 17 2HD ARG 17 0.090 0.009 11.106
140 HD3 ARG 17 1HD ARG 17 1.759 0.563 11.167
141 HE ARG 17 HE ARG 17 0.493 2.206 12.869
142 HH11 ARG 17 1HH1 ARG 17 0.376 -1.316 12.585
143 HH12 ARG 17 2HH1 ARG 17 0.455 -1.600 14.260
144 HH21 ARG 17 1HH2 ARG 17 0.556 1.844 15.138
145 HH22 ARG 17 2HH2 ARG 17 0.586 0.264 15.769
146 H ALA 18 H ALA 18 0.447 1.052 6.022
147 HA ALA 18 HA ALA 18 3.137 1.255 5.117
148 HB1 ALA 18 1HB ALA 18 1.809 -0.755 4.697
149 HB2 ALA 18 2HB ALA 18 2.450 -0.075 3.199
150 HB3 ALA 18 3HB ALA 18 0.759 0.172 3.629
151 H GLN 19 H GLN 19 0.089 2.633 4.011
152 HA GLN 19 HA GLN 19 0.832 3.933 1.704
153 HB2 GLN 19 2HB GLN 19 -1.057 4.561 3.900
154 HB3 GLN 19 1HB GLN 19 -0.969 5.673 2.573
155 HG2 GLN 19 2HG GLN 19 -1.498 3.800 1.070
156 HG3 GLN 19 1HG GLN 19 -1.656 2.739 2.481
157 HE21 GLN 19 1HE2 GLN 19 -3.584 3.330 0.478
158 HE22 GLN 19 2HE2 GLN 19 -4.924 4.083 1.272
159 H ILE 20 H ILE 20 0.748 5.291 4.956
160 HA ILE 20 HA ILE 20 1.976 7.744 4.467
161 HB ILE 20 HB ILE 20 1.992 6.104 7.020
162 HG12 ILE 20 2HG1 ILE 20 0.219 8.399 6.149
163 HG13 ILE 20 1HG1 ILE 20 -0.241 6.701 6.157
164 HG21 ILE 20 1HG2 ILE 20 3.780 7.770 7.098
165 HG22 ILE 20 2HG2 ILE 20 2.477 8.204 8.204
166 HG23 ILE 20 3HG2 ILE 20 2.632 9.036 6.658
167 HD11 ILE 20 3HD1 ILE 20 -1.144 7.881 8.076
168 HD12 ILE 20 1HD1 ILE 20 0.485 8.342 8.572
169 HD13 ILE 20 2HD1 ILE 20 0.010 6.643 8.574
170 H ALA 21 H ALA 21 3.404 4.645 5.331
171 HA ALA 21 HA ALA 21 6.047 5.577 5.636
172 HB1 ALA 21 1HB ALA 21 5.109 2.784 5.005
173 HB2 ALA 21 2HB ALA 21 5.252 3.477 6.620
174 HB3 ALA 21 3HB ALA 21 6.694 3.237 5.632
175 H ILE 22 H ILE 22 4.206 4.929 2.827
176 HA ILE 22 HA ILE 22 6.507 4.530 1.088
177 HB ILE 22 HB ILE 22 3.649 5.182 0.305
178 HG12 ILE 22 2HG1 ILE 22 4.979 2.485 0.306
179 HG13 ILE 22 1HG1 ILE 22 3.943 3.047 1.616
180 HG21 ILE 22 1HG2 ILE 22 4.308 4.274 -1.881
181 HG22 ILE 22 2HG2 ILE 22 5.950 4.033 -1.285
182 HG23 ILE 22 3HG2 ILE 22 5.296 5.665 -1.434
183 HD11 ILE 22 3HD1 ILE 22 2.725 1.612 0.105
184 HD12 ILE 22 1HD1 ILE 22 3.143 2.653 -1.255
185 HD13 ILE 22 2HD1 ILE 22 2.096 3.258 0.027
186 H CYS 23 H CYS 23 4.023 7.028 1.472
187 HA CYS 23 HA CYS 23 5.458 8.773 -0.270
188 HB2 CYS 23 2HB CYS 23 2.989 8.997 1.329
189 HB3 CYS 23 1HB CYS 23 3.763 10.463 0.738
190 H GLY 24 H GLY 24 5.463 8.261 3.050
191 HA2 GLY 24 2HA GLY 24 6.782 10.588 3.925
192 HA3 GLY 24 1HA GLY 24 6.903 9.006 4.684
193 H MET 25 H MET 25 7.900 7.855 2.091
194 HA MET 25 HA MET 25 10.424 9.158 1.734
195 HB2 MET 25 2HB MET 25 11.739 7.072 2.089
196 HB3 MET 25 1HB MET 25 11.031 7.709 3.570
197 HG2 MET 25 2HG MET 25 9.293 5.993 3.449
198 HG3 MET 25 1HG MET 25 10.005 5.380 1.960
199 HE1 MET 25 3HE MET 25 13.476 4.033 3.229
200 HE2 MET 25 1HE MET 25 13.166 5.664 2.638
201 HE3 MET 25 2HE MET 25 12.435 4.281 1.829
202 H SER 26 H SER 26 9.038 9.467 -0.185
203 HA SER 26 HA SER 26 8.746 7.167 -1.857
204 HB2 SER 26 2HB SER 26 7.752 8.933 -3.441
205 HB3 SER 26 1HB SER 26 6.894 8.552 -1.945
206 HG SER 26 HG SER 26 8.780 10.640 -1.990
207 H THR 27 H THR 27 11.032 6.908 -1.721
208 HA THR 27 HA THR 27 12.327 7.967 -4.046
209 HB THR 27 HB THR 27 14.445 7.906 -2.488
210 HG1 THR 27 1HG THR 27 12.932 8.941 -0.488
211 HG21 THR 27 3HG2 THR 27 14.177 10.314 -1.969
212 HG22 THR 27 1HG2 THR 27 12.462 10.191 -2.355
213 HG23 THR 27 2HG2 THR 27 13.671 9.947 -3.617
214 H TRP 28 H TRP 28 13.516 6.440 -4.943
215 HA TRP 28 HA TRP 28 12.933 3.731 -4.170
216 HB2 TRP 28 2HB TRP 28 12.961 4.446 -6.575
217 HB3 TRP 28 1HB TRP 28 14.705 4.626 -6.455
218 HD1 TRP 28 HD TRP 28 11.984 1.907 -6.464
219 HE1 TRP 28 1HE TRP 28 13.056 -0.322 -7.131
220 HE3 TRP 28 3HE TRP 28 16.881 3.369 -6.609
221 HZ2 TRP 28 2HZ TRP 28 15.627 -1.337 -7.677
222 HZ3 TRP 28 3HZ TRP 28 18.587 1.704 -7.223
223 HH2 TRP 28 HH TRP 28 17.971 -0.600 -7.745
224 H SER 29 H SER 29 15.202 5.771 -3.514
225 HA SER 29 HA SER 29 16.943 3.697 -2.386
226 HB2 SER 29 2HB SER 29 18.103 4.974 -4.164
227 HB3 SER 29 1HB SER 29 17.748 6.474 -3.318
228 HG SER 29 HG SER 29 19.634 4.518 -2.796
229 HN1 NH2 30 HT1 SER 29 15.604 3.672 -0.569
230 HN2 NH2 30 HT2 SER 29 15.545 4.969 0.577
231 HA PCA 1 HA PCA 1 -12.997 3.640 -7.412
232 HB2 PCA 1 2HB PCA 1 -13.656 0.917 -7.835
233 HB3 PCA 1 1HB PCA 1 -14.788 2.297 -7.909
234 HG2 PCA 1 2HG PCA 1 -13.797 0.664 -10.092
235 HG3 PCA 1 1HG PCA 1 -14.948 2.043 -10.173
236 H LEU 2 H LEU 2 -10.422 3.332 -8.423
237 HA LEU 2 HA LEU 2 -9.205 0.839 -7.525
238 HB2 LEU 2 2HB LEU 2 -8.308 2.180 -9.427
239 HB3 LEU 2 1HB LEU 2 -7.869 3.428 -8.287
240 HG LEU 2 HG LEU 2 -6.310 1.830 -7.191
241 HD11 LEU 2 1HD1 LEU 2 -5.726 -0.243 -8.361
242 HD12 LEU 2 2HD1 LEU 2 -7.075 0.012 -9.470
243 HD13 LEU 2 3HD1 LEU 2 -7.379 -0.261 -7.755
244 HD21 LEU 2 3HD2 LEU 2 -5.889 2.220 -10.155
245 HD22 LEU 2 1HD2 LEU 2 -4.631 1.841 -8.979
246 HD23 LEU 2 2HD2 LEU 2 -5.490 3.378 -8.886
247 H TYR 3 H TYR 3 -9.848 3.799 -5.896
248 HA TYR 3 HA TYR 3 -7.983 2.916 -3.931
249 HB2 TYR 3 2HB TYR 3 -8.459 5.369 -4.210
250 HB3 TYR 3 1HB TYR 3 -10.052 5.084 -3.486
251 HD1 TYR 3 1HD TYR 3 -6.598 4.013 -2.864
252 HD2 TYR 3 2HD TYR 3 -10.155 5.606 -1.228
253 HE1 TYR 3 1HE TYR 3 -5.575 3.943 -0.756
254 HE2 TYR 3 2HE TYR 3 -9.137 5.586 1.003
255 HH TYR 3 HH TYR 3 -7.344 4.278 2.124
256 H SER 4 H SER 4 -11.441 2.781 -4.371
257 HA SER 4 HA SER 4 -12.055 1.613 -1.912
258 HB2 SER 4 2HB SER 4 -13.425 1.242 -4.584
259 HB3 SER 4 1HB SER 4 -14.136 0.909 -3.002
260 HG SER 4 HG SER 4 -14.697 2.949 -3.882
261 H ALA 5 H ALA 5 -11.227 0.243 -5.063
262 HA ALA 5 HA ALA 5 -11.436 -2.461 -4.356
263 HB1 ALA 5 1HB ALA 5 -10.239 -2.921 -6.406
264 HB2 ALA 5 2HB ALA 5 -9.722 -1.237 -6.505
265 HB3 ALA 5 3HB ALA 5 -11.431 -1.646 -6.666
266 H LEU 6 H LEU 6 -8.657 -0.258 -4.367
267 HA LEU 6 HA LEU 6 -6.563 -1.925 -3.858
268 HB2 LEU 6 2HB LEU 6 -6.225 0.418 -4.209
269 HB3 LEU 6 1HB LEU 6 -7.132 0.826 -2.773
270 HG LEU 6 HG LEU 6 -5.318 -0.184 -1.394
271 HD11 LEU 6 1HD1 LEU 6 -3.883 -0.367 -4.019
272 HD12 LEU 6 2HD1 LEU 6 -4.401 -1.714 -3.008
273 HD13 LEU 6 3HD1 LEU 6 -3.155 -0.609 -2.434
274 HD21 LEU 6 3HD2 LEU 6 -5.422 2.206 -1.818
275 HD22 LEU 6 1HD2 LEU 6 -4.449 2.000 -3.272
276 HD23 LEU 6 2HD2 LEU 6 -3.753 1.651 -1.686
277 H ALA 7 H ALA 7 -8.520 -0.353 -1.350
278 HA ALA 7 HA ALA 7 -7.239 -1.463 0.856
279 HB1 ALA 7 1HB ALA 7 -9.223 -0.874 2.136
280 HB2 ALA 7 2HB ALA 7 -10.135 -0.677 0.640
281 HB3 ALA 7 3HB ALA 7 -8.794 0.412 1.007
282 H ASN 8 H ASN 8 -10.007 -2.630 -0.954
283 HA ASN 8 HA ASN 8 -10.435 -4.882 0.743
284 HB2 ASN 8 2HB ASN 8 -11.480 -4.248 -2.024
285 HB3 ASN 8 1HB ASN 8 -11.973 -5.653 -1.085
286 HD21 ASN 8 1HD2 ASN 8 -13.576 -3.350 -2.047
287 HD22 ASN 8 2HD2 ASN 8 -14.277 -2.690 -0.622
288 H LYS 9 H LYS 9 -8.661 -4.314 -2.184
289 HA LYS 9 HA LYS 9 -8.231 -7.038 -2.902
290 HB2 LYS 9 2HB LYS 9 -7.974 -4.915 -4.397
291 HB3 LYS 9 1HB LYS 9 -6.478 -4.688 -3.552
292 HG2 LYS 9 2HG LYS 9 -5.600 -6.786 -4.376
293 HG3 LYS 9 1HG LYS 9 -7.116 -7.095 -5.228
294 HD2 LYS 9 2HD LYS 9 -6.803 -5.030 -6.516
295 HD3 LYS 9 1HD LYS 9 -5.271 -4.755 -5.692
296 HE2 LYS 9 2HE LYS 9 -4.864 -5.714 -7.861
297 HE3 LYS 9 1HE LYS 9 -4.427 -6.879 -6.615
298 HZ1 LYS 9 3HZ LYS 9 -6.953 -6.896 -8.190
299 HZ2 LYS 9 1HZ LYS 9 -6.535 -8.018 -7.003
300 HZ3 LYS 9 2HZ LYS 9 -5.648 -7.927 -8.412
301 H CYS 10 H CYS 10 -6.135 -4.632 -1.367
302 HA CYS 10 HA CYS 10 -4.138 -6.513 -0.799
303 HB2 CYS 10 2HB CYS 10 -4.687 -3.728 0.161
304 HB3 CYS 10 1HB CYS 10 -3.438 -4.724 0.909
305 H CYS 11 H CYS 11 -7.119 -5.779 0.772
306 HA CYS 11 HA CYS 11 -6.320 -6.837 3.314
307 HB2 CYS 11 2HB CYS 11 -8.174 -5.103 2.937
308 HB3 CYS 11 1HB CYS 11 -9.148 -6.436 2.351
309 H HIS 12 H HIS 12 -7.941 -8.039 0.423
310 HA HIS 12 HA HIS 12 -8.494 -10.552 1.752
311 HB2 HIS 12 2HB HIS 12 -9.198 -9.441 -0.927
312 HB3 HIS 12 1HB HIS 12 -9.408 -11.151 -0.608
313 HD1 HIS 12 1HD HIS 12 -11.579 -11.788 0.648
314 HD2 HIS 12 2HD HIS 12 -10.757 -7.711 0.724
315 HE1 HIS 12 1HE HIS 12 -13.604 -10.688 1.644
316 H VAL 13 H VAL 13 -6.699 -9.548 -1.111
317 HA VAL 13 HA VAL 13 -5.298 -12.104 -0.902
318 HB VAL 13 HB VAL 13 -4.689 -11.796 -3.301
319 HG11 VAL 13 1HG1 VAL 13 -7.641 -11.964 -2.630
320 HG12 VAL 13 2HG1 VAL 13 -6.500 -13.307 -2.601
321 HG13 VAL 13 3HG1 VAL 13 -6.922 -12.540 -4.135
322 HG21 VAL 13 3HG2 VAL 13 -5.106 -9.418 -3.579
323 HG22 VAL 13 1HG2 VAL 13 -6.821 -9.654 -3.240
324 HG23 VAL 13 2HG2 VAL 13 -6.107 -10.335 -4.703
325 H GLY 14 H GLY 14 -4.766 -8.786 -1.728
326 HA2 GLY 14 2HA GLY 14 -2.798 -7.759 -0.468
327 HA3 GLY 14 1HA GLY 14 -1.889 -9.088 -1.080
328 H CYS 15 H CYS 15 -1.517 -6.249 -1.642
329 HA CYS 15 HA CYS 15 -1.351 -6.511 -4.417
330 HB2 CYS 15 2HB CYS 15 -2.607 -4.357 -4.989
331 HB3 CYS 15 1HB CYS 15 -3.546 -5.769 -4.543
332 H THR 16 H THR 16 -0.392 -4.456 -5.485
333 HA THR 16 HA THR 16 2.062 -4.396 -4.255
334 HB THR 16 HB THR 16 2.694 -2.777 -6.061
335 HG1 THR 16 1HG THR 16 0.239 -3.445 -7.263
336 HG21 THR 16 3HG2 THR 16 2.594 -4.492 -7.822
337 HG22 THR 16 1HG2 THR 16 1.424 -5.401 -6.864
338 HG23 THR 16 2HG2 THR 16 3.069 -5.179 -6.270
339 H LYS 17 H LYS 17 3.238 -3.008 -3.480
340 HA LYS 17 HA LYS 17 2.267 -1.023 -1.654
341 HB2 LYS 17 2HB LYS 17 4.394 -2.386 -1.667
342 HB3 LYS 17 1HB LYS 17 5.062 -1.277 -2.827
343 HG2 LYS 17 2HG LYS 17 5.910 -0.742 -0.785
344 HG3 LYS 17 1HG LYS 17 4.681 0.517 -1.066
345 HD2 LYS 17 2HD LYS 17 3.160 -0.653 0.426
346 HD3 LYS 17 1HD LYS 17 4.290 -2.003 0.563
347 HE2 LYS 17 2HE LYS 17 4.714 0.814 1.554
348 HE3 LYS 17 1HE LYS 17 4.450 -0.625 2.533
349 HZ1 LYS 17 3HZ LYS 17 6.813 -0.122 0.798
350 HZ2 LYS 17 1HZ LYS 17 6.543 -1.538 1.639
351 HZ3 LYS 17 2HZ LYS 17 6.799 -0.093 2.465
352 H ARG 18 H ARG 18 3.430 -1.000 -4.923
353 HA ARG 18 HA ARG 18 3.536 1.788 -5.340
354 HB2 ARG 18 2HB ARG 18 3.073 -0.494 -7.250
355 HB3 ARG 18 1HB ARG 18 3.302 1.176 -7.743
356 HG2 ARG 18 2HG ARG 18 5.314 -0.457 -6.206
357 HG3 ARG 18 1HG ARG 18 5.348 -0.184 -7.948
358 HD2 ARG 18 2HD ARG 18 5.538 1.939 -5.804
359 HD3 ARG 18 1HD ARG 18 6.854 1.346 -6.811
360 HE ARG 18 HE ARG 18 4.967 2.160 -8.583
361 HH11 ARG 18 1HH1 ARG 18 6.774 3.820 -5.976
362 HH12 ARG 18 2HH1 ARG 18 6.652 5.331 -6.696
363 HH21 ARG 18 1HH2 ARG 18 4.844 4.236 -9.548
364 HH22 ARG 18 2HH2 ARG 18 5.514 5.603 -8.785
365 H SER 19 H SER 19 0.928 -0.487 -5.221
366 HA SER 19 HA SER 19 -0.925 1.125 -6.622
367 HB2 SER 19 2HB SER 19 -1.064 -1.293 -6.579
368 HB3 SER 19 1HB SER 19 -1.318 -1.338 -4.861
369 HG SER 19 HG SER 19 -3.204 0.192 -5.531
370 H LEU 20 H LEU 20 -0.028 0.590 -3.285
371 HA LEU 20 HA LEU 20 -1.984 2.633 -2.350
372 HB2 LEU 20 2HB LEU 20 0.327 1.819 -0.524
373 HB3 LEU 20 1HB LEU 20 -1.216 2.467 -0.207
374 HG LEU 20 HG LEU 20 -2.312 0.365 -0.848
375 HD11 LEU 20 1HD1 LEU 20 -0.563 -0.703 -2.111
376 HD12 LEU 20 2HD1 LEU 20 -1.031 -1.698 -0.733
377 HD13 LEU 20 3HD1 LEU 20 0.458 -0.754 -0.673
378 HD21 LEU 20 3HD2 LEU 20 -0.430 0.327 1.485
379 HD22 LEU 20 1HD2 LEU 20 -1.823 -0.738 1.288
380 HD23 LEU 20 2HD2 LEU 20 -2.068 1.000 1.452
381 H ALA 21 H ALA 21 1.223 2.512 -3.274
382 HA ALA 21 HA ALA 21 2.194 4.988 -2.393
383 HB1 ALA 21 1HB ALA 21 3.834 4.905 -4.158
384 HB2 ALA 21 2HB ALA 21 2.835 3.787 -5.073
385 HB3 ALA 21 3HB ALA 21 3.567 3.264 -3.558
386 H ARG 22 H ARG 22 0.305 4.296 -5.241
387 HA ARG 22 HA ARG 22 0.402 6.991 -6.218
388 HB2 ARG 22 2HB ARG 22 -1.161 6.215 -7.950
389 HB3 ARG 22 1HB ARG 22 0.223 5.149 -7.783
390 HG2 ARG 22 2HG ARG 22 -1.222 3.673 -6.352
391 HG3 ARG 22 1HG ARG 22 -2.586 4.682 -6.830
392 HD2 ARG 22 2HD ARG 22 -2.460 2.710 -8.229
393 HD3 ARG 22 1HD ARG 22 -2.127 4.151 -9.187
394 HE ARG 22 HE ARG 22 0.298 3.556 -8.816
395 HH11 ARG 22 1HH1 ARG 22 -2.204 1.042 -8.932
396 HH12 ARG 22 2HH1 ARG 22 -1.162 -0.158 -9.512
397 HH21 ARG 22 1HH2 ARG 22 1.729 1.893 -9.602
398 HH22 ARG 22 2HH2 ARG 22 1.119 0.324 -9.898
399 H PHE 23 H PHE 23 -1.004 6.020 -3.572
400 HA PHE 23 HA PHE 23 -3.140 7.996 -3.815
401 HB2 PHE 23 2HB PHE 23 -3.366 5.332 -2.412
402 HB3 PHE 23 1HB PHE 23 -4.488 6.660 -2.157
403 HD1 PHE 23 2HD PHE 23 -5.812 7.504 -4.119
404 HD2 PHE 23 1HD PHE 23 -3.615 3.872 -4.211
405 HE1 PHE 23 2HE PHE 23 -7.146 6.752 -6.041
406 HE2 PHE 23 1HE PHE 23 -4.940 3.111 -6.128
407 HZ PHE 23 HZ PHE 23 -6.712 4.553 -7.045
408 H CYS 24 H CYS 24 -1.608 6.048 -1.392
409 HA CYS 24 HA CYS 24 -0.732 6.463 0.644
410 HB2 CYS 24 2HB CYS 24 -0.123 9.180 -0.518
411 HB3 CYS 24 1HB CYS 24 0.470 8.630 1.045
412 HN1 NH2 25 HT1 CYS 24 -2.177 9.652 0.108
413 HN2 NH2 25 HT2 CYS 24 -3.182 9.604 1.509
Start of MODEL 13
1 H1 ASP 1 1HT ASP 1 11.903 4.853 -7.277
2 H2 ASP 1 2HT ASP 1 12.888 3.565 -7.604
3 H3 ASP 1 3HT ASP 1 12.089 3.633 -6.138
4 HA ASP 1 HA ASP 1 9.932 3.450 -7.311
5 HB2 ASP 1 2HB ASP 1 11.727 3.041 -9.718
6 HB3 ASP 1 1HB ASP 1 10.014 2.721 -9.715
7 H SER 2 H SER 2 12.940 1.646 -7.414
8 HA SER 2 HA SER 2 11.875 -0.828 -8.100
9 HB2 SER 2 2HB SER 2 14.323 -0.260 -6.435
10 HB3 SER 2 1HB SER 2 13.983 -1.776 -7.266
11 HG SER 2 HG SER 2 15.260 0.228 -8.220
12 H TRP 3 H TRP 3 11.759 0.746 -5.292
13 HA TRP 3 HA TRP 3 11.188 -1.478 -3.553
14 HB2 TRP 3 2HB TRP 3 10.421 0.316 -1.896
15 HB3 TRP 3 1HB TRP 3 12.103 0.363 -2.401
16 HD1 TRP 3 HD TRP 3 12.954 2.554 -3.495
17 HE1 TRP 3 1HE TRP 3 11.892 4.816 -4.103
18 HE3 TRP 3 3HE TRP 3 8.036 1.393 -2.712
19 HZ2 TRP 3 2HZ TRP 3 9.321 5.944 -4.240
20 HZ3 TRP 3 3HZ TRP 3 6.368 3.076 -3.137
21 HH2 TRP 3 HH TRP 3 6.976 5.340 -3.865
22 H MET 4 H MET 4 9.343 0.147 -5.859
23 HA MET 4 HA MET 4 6.806 -0.030 -4.542
24 HB2 MET 4 2HB MET 4 7.395 0.328 -7.475
25 HB3 MET 4 1HB MET 4 5.822 0.392 -6.689
26 HG2 MET 4 2HG MET 4 6.580 2.328 -5.383
27 HG3 MET 4 1HG MET 4 8.103 2.294 -6.267
28 HE1 MET 4 3HE MET 4 7.013 1.473 -9.222
29 HE2 MET 4 1HE MET 4 8.267 2.665 -8.877
30 HE3 MET 4 2HE MET 4 6.913 3.091 -9.920
31 H GLU 5 H GLU 5 8.760 -2.147 -6.414
32 HA GLU 5 HA GLU 5 6.528 -3.870 -6.901
33 HB2 GLU 5 2HB GLU 5 9.431 -4.131 -7.674
34 HB3 GLU 5 1HB GLU 5 8.224 -5.376 -7.994
35 HG2 GLU 5 2HG GLU 5 6.921 -3.785 -9.305
36 HG3 GLU 5 1HG GLU 5 8.113 -2.539 -8.974
37 H GLU 6 H GLU 6 5.981 -4.055 -4.886
38 HA GLU 6 HA GLU 6 7.175 -6.249 -3.408
39 HB2 GLU 6 2HB GLU 6 7.836 -3.844 -2.472
40 HB3 GLU 6 1HB GLU 6 6.122 -3.774 -2.159
41 HG2 GLU 6 2HG GLU 6 6.171 -5.594 -0.643
42 HG3 GLU 6 1HG GLU 6 7.886 -5.856 -0.939
43 H VAL 7 H VAL 7 5.463 -7.039 -2.050
44 HA VAL 7 HA VAL 7 2.796 -6.088 -2.476
45 HB VAL 7 HB VAL 7 2.974 -7.424 -4.492
46 HG11 VAL 7 1HG1 VAL 7 4.836 -8.842 -3.948
47 HG12 VAL 7 2HG1 VAL 7 3.473 -9.833 -4.475
48 HG13 VAL 7 3HG1 VAL 7 3.865 -9.707 -2.758
49 HG21 VAL 7 3HG2 VAL 7 1.186 -9.097 -4.160
50 HG22 VAL 7 1HG2 VAL 7 0.818 -7.561 -3.374
51 HG23 VAL 7 2HG2 VAL 7 1.376 -8.927 -2.414
52 H ILE 8 H ILE 8 1.751 -6.246 -0.662
53 HA ILE 8 HA ILE 8 2.313 -8.442 1.167
54 HB ILE 8 HB ILE 8 2.327 -6.898 3.121
55 HG12 ILE 8 2HG1 ILE 8 2.535 -4.756 1.016
56 HG13 ILE 8 1HG1 ILE 8 1.185 -5.010 2.095
57 HG21 ILE 8 1HG2 ILE 8 4.443 -7.739 2.321
58 HG22 ILE 8 2HG2 ILE 8 4.635 -6.080 2.889
59 HG23 ILE 8 3HG2 ILE 8 4.562 -6.416 1.160
60 HD11 ILE 8 3HD1 ILE 8 3.955 -4.166 2.943
61 HD12 ILE 8 1HD1 ILE 8 2.584 -4.433 4.022
62 HD13 ILE 8 2HD1 ILE 8 2.536 -3.122 2.844
63 H LYS 9 H LYS 9 0.738 -8.232 3.032
64 HA LYS 9 HA LYS 9 -1.896 -7.463 1.982
65 HB2 LYS 9 2HB LYS 9 -1.590 -9.936 2.119
66 HB3 LYS 9 1HB LYS 9 -1.284 -9.771 3.844
67 HG2 LYS 9 2HG LYS 9 -3.549 -8.904 4.166
68 HG3 LYS 9 1HG LYS 9 -3.854 -9.049 2.438
69 HD2 LYS 9 2HD LYS 9 -4.840 -10.933 3.557
70 HD3 LYS 9 1HD LYS 9 -3.447 -11.491 2.633
71 HE2 LYS 9 2HE LYS 9 -3.522 -12.532 4.822
72 HE3 LYS 9 1HE LYS 9 -2.094 -11.512 4.671
73 HZ1 LYS 9 3HZ LYS 9 -3.222 -11.264 6.825
74 HZ2 LYS 9 1HZ LYS 9 -4.614 -10.752 6.062
75 HZ3 LYS 9 2HZ LYS 9 -3.231 -9.805 6.001
76 H LEU 10 H LEU 10 -3.231 -6.355 3.374
77 HA LEU 10 HA LEU 10 -2.697 -5.902 6.105
78 HB2 LEU 10 2HB LEU 10 -2.344 -3.482 5.885
79 HB3 LEU 10 1HB LEU 10 -0.885 -4.230 5.520
80 HG LEU 10 HG LEU 10 -2.797 -2.791 3.924
81 HD11 LEU 10 1HD1 LEU 10 -0.728 -1.522 3.283
82 HD12 LEU 10 2HD1 LEU 10 0.239 -2.773 4.042
83 HD13 LEU 10 3HD1 LEU 10 -0.766 -1.739 5.042
84 HD21 LEU 10 3HD2 LEU 10 -1.624 -3.293 1.785
85 HD22 LEU 10 1HD2 LEU 10 -2.368 -4.722 2.508
86 HD23 LEU 10 2HD2 LEU 10 -0.630 -4.471 2.655
87 H CYS 11 H CYS 11 -4.045 -4.009 6.783
88 HA CYS 11 HA CYS 11 -6.491 -3.538 5.329
89 HB2 CYS 11 2HB CYS 11 -6.627 -5.191 7.840
90 HB3 CYS 11 1HB CYS 11 -8.001 -4.641 6.914
91 H GLY 12 H GLY 12 -7.901 -2.134 6.645
92 HA2 GLY 12 2HA GLY 12 -8.262 -0.287 8.005
93 HA3 GLY 12 1HA GLY 12 -7.605 -1.328 9.243
94 H ARG 13 H ARG 13 -6.344 -0.163 10.392
95 HA ARG 13 HA ARG 13 -4.915 2.082 9.494
96 HB2 ARG 13 2HB ARG 13 -5.531 1.981 11.803
97 HB3 ARG 13 1HB ARG 13 -4.685 0.469 12.044
98 HG2 ARG 13 2HG ARG 13 -3.459 2.265 13.067
99 HG3 ARG 13 1HG ARG 13 -2.549 1.642 11.698
100 HD2 ARG 13 2HD ARG 13 -3.373 3.514 10.329
101 HD3 ARG 13 1HD ARG 13 -4.224 4.150 11.737
102 HE ARG 13 HE ARG 13 -1.493 3.703 12.303
103 HH11 ARG 13 1HH1 ARG 13 -3.632 6.058 10.713
104 HH12 ARG 13 2HH1 ARG 13 -2.524 7.338 10.872
105 HH21 ARG 13 1HH2 ARG 13 -0.046 5.440 12.536
106 HH22 ARG 13 2HH2 ARG 13 -0.440 6.999 11.946
107 H GLU 14 H GLU 14 -4.082 -1.319 9.581
108 HA GLU 14 HA GLU 14 -1.271 -1.048 9.259
109 HB2 GLU 14 2HB GLU 14 -3.202 -3.192 8.383
110 HB3 GLU 14 1HB GLU 14 -1.472 -3.317 8.140
111 HG2 GLU 14 2HG GLU 14 -2.867 -3.074 10.795
112 HG3 GLU 14 1HG GLU 14 -2.239 -4.564 10.093
113 H LEU 15 H LEU 15 -3.985 -0.964 7.010
114 HA LEU 15 HA LEU 15 -2.530 -1.086 4.658
115 HB2 LEU 15 2HB LEU 15 -5.095 0.405 5.279
116 HB3 LEU 15 1HB LEU 15 -4.410 0.438 3.679
117 HG LEU 15 HG LEU 15 -5.113 -2.174 4.958
118 HD11 LEU 15 1HD1 LEU 15 -6.945 -0.281 3.439
119 HD12 LEU 15 2HD1 LEU 15 -7.100 -0.716 5.148
120 HD13 LEU 15 3HD1 LEU 15 -7.338 -1.937 3.906
121 HD21 LEU 15 3HD2 LEU 15 -5.261 -2.931 2.814
122 HD22 LEU 15 1HD2 LEU 15 -3.838 -1.901 2.731
123 HD23 LEU 15 2HD2 LEU 15 -5.383 -1.318 2.107
124 H VAL 16 H VAL 16 -3.566 1.479 6.745
125 HA VAL 16 HA VAL 16 -2.627 3.724 5.277
126 HB VAL 16 HB VAL 16 -3.225 3.557 8.239
127 HG11 VAL 16 1HG1 VAL 16 -2.103 5.608 7.596
128 HG12 VAL 16 2HG1 VAL 16 -3.777 5.933 8.043
129 HG13 VAL 16 3HG1 VAL 16 -3.308 5.896 6.345
130 HG21 VAL 16 3HG2 VAL 16 -5.116 4.132 5.970
131 HG22 VAL 16 1HG2 VAL 16 -5.504 4.232 7.687
132 HG23 VAL 16 2HG2 VAL 16 -5.096 2.677 6.966
133 H ARG 17 H ARG 17 -1.249 1.627 7.639
134 HA ARG 17 HA ARG 17 0.949 3.186 8.335
135 HB2 ARG 17 2HB ARG 17 0.506 0.231 8.433
136 HB3 ARG 17 1HB ARG 17 2.008 0.919 8.996
137 HG2 ARG 17 2HG ARG 17 0.665 2.331 10.574
138 HG3 ARG 17 1HG ARG 17 -0.755 1.420 10.062
139 HD2 ARG 17 2HD ARG 17 0.131 0.496 12.110
140 HD3 ARG 17 1HD ARG 17 0.336 -0.652 10.789
141 HE ARG 17 HE ARG 17 2.584 1.074 11.288
142 HH11 ARG 17 1HH1 ARG 17 1.083 -2.076 11.941
143 HH12 ARG 17 2HH1 ARG 17 2.531 -2.806 12.459
144 HH21 ARG 17 1HH2 ARG 17 4.577 0.045 12.056
145 HH22 ARG 17 2HH2 ARG 17 4.527 -1.599 12.520
146 H ALA 18 H ALA 18 0.647 0.727 5.893
147 HA ALA 18 HA ALA 18 3.313 1.166 4.938
148 HB1 ALA 18 1HB ALA 18 2.720 -0.253 3.051
149 HB2 ALA 18 2HB ALA 18 1.022 -0.176 3.520
150 HB3 ALA 18 3HB ALA 18 2.191 -0.975 4.571
151 H GLN 19 H GLN 19 0.132 2.320 3.970
152 HA GLN 19 HA GLN 19 0.811 3.623 1.596
153 HB2 GLN 19 2HB GLN 19 -1.323 3.957 3.640
154 HB3 GLN 19 1HB GLN 19 -1.209 5.109 2.321
155 HG2 GLN 19 2HG GLN 19 -1.617 3.456 0.716
156 HG3 GLN 19 1HG GLN 19 -1.281 2.153 1.864
157 HE21 GLN 19 1HE2 GLN 19 -3.220 1.184 1.347
158 HE22 GLN 19 2HE2 GLN 19 -4.732 1.806 1.906
159 H ILE 20 H ILE 20 0.396 5.141 4.791
160 HA ILE 20 HA ILE 20 1.465 7.588 3.920
161 HB ILE 20 HB ILE 20 1.138 6.548 6.748
162 HG12 ILE 20 2HG1 ILE 20 -0.500 8.451 5.061
163 HG13 ILE 20 1HG1 ILE 20 -0.957 6.826 5.554
164 HG21 ILE 20 1HG2 ILE 20 2.877 8.278 6.742
165 HG22 ILE 20 2HG2 ILE 20 1.408 8.889 7.506
166 HG23 ILE 20 3HG2 ILE 20 1.807 9.366 5.858
167 HD11 ILE 20 3HD1 ILE 20 -1.040 7.565 7.884
168 HD12 ILE 20 1HD1 ILE 20 -2.114 8.517 6.861
169 HD13 ILE 20 2HD1 ILE 20 -0.566 9.186 7.382
170 H ALA 21 H ALA 21 3.018 4.726 5.171
171 HA ALA 21 HA ALA 21 5.533 5.877 5.717
172 HB1 ALA 21 1HB ALA 21 4.970 3.589 6.418
173 HB2 ALA 21 2HB ALA 21 6.457 3.622 5.468
174 HB3 ALA 21 3HB ALA 21 4.949 3.083 4.729
175 H ILE 22 H ILE 22 4.070 4.657 2.762
176 HA ILE 22 HA ILE 22 6.334 5.074 1.076
177 HB ILE 22 HB ILE 22 3.381 4.896 0.407
178 HG12 ILE 22 2HG1 ILE 22 4.361 2.843 1.389
179 HG13 ILE 22 1HG1 ILE 22 3.855 2.615 -0.283
180 HG21 ILE 22 1HG2 ILE 22 4.151 4.431 -1.911
181 HG22 ILE 22 2HG2 ILE 22 5.779 4.896 -1.417
182 HG23 ILE 22 3HG2 ILE 22 4.467 6.077 -1.365
183 HD11 ILE 22 3HD1 ILE 22 6.112 2.866 -1.016
184 HD12 ILE 22 1HD1 ILE 22 5.989 1.541 0.140
185 HD13 ILE 22 2HD1 ILE 22 6.678 3.089 0.648
186 H CYS 23 H CYS 23 3.675 7.035 2.150
187 HA CYS 23 HA CYS 23 4.018 9.184 0.286
188 HB2 CYS 23 2HB CYS 23 2.826 9.117 3.021
189 HB3 CYS 23 1HB CYS 23 2.639 10.424 1.884
190 H GLY 24 H GLY 24 5.342 8.358 3.273
191 HA2 GLY 24 2HA GLY 24 7.093 10.733 3.217
192 HA3 GLY 24 1HA GLY 24 6.430 10.117 4.726
193 H MET 25 H MET 25 7.992 8.614 1.942
194 HA MET 25 HA MET 25 9.939 7.466 3.819
195 HB2 MET 25 2HB MET 25 10.360 5.644 2.118
196 HB3 MET 25 1HB MET 25 8.766 5.627 2.830
197 HG2 MET 25 2HG MET 25 8.507 5.097 0.543
198 HG3 MET 25 1HG MET 25 7.912 6.736 0.748
199 HE1 MET 25 3HE MET 25 11.646 5.444 0.451
200 HE2 MET 25 1HE MET 25 11.894 5.587 -1.288
201 HE3 MET 25 2HE MET 25 10.730 4.422 -0.659
202 H SER 26 H SER 26 10.048 10.022 2.739
203 HA SER 26 HA SER 26 11.663 10.241 0.447
204 HB2 SER 26 2HB SER 26 11.160 12.302 2.575
205 HB3 SER 26 1HB SER 26 11.604 12.588 0.890
206 HG SER 26 HG SER 26 9.543 11.088 0.690
207 H THR 27 H THR 27 12.694 8.864 2.993
208 HA THR 27 HA THR 27 15.251 10.150 3.390
209 HB THR 27 HB THR 27 14.495 7.328 4.139
210 HG1 THR 27 1HG THR 27 13.381 9.657 4.944
211 HG21 THR 27 3HG2 THR 27 16.849 7.978 4.492
212 HG22 THR 27 1HG2 THR 27 16.032 7.715 6.033
213 HG23 THR 27 2HG2 THR 27 16.322 9.357 5.458
214 H TRP 28 H TRP 28 13.722 8.165 1.347
215 HA TRP 28 HA TRP 28 16.109 7.624 -0.248
216 HB2 TRP 28 2HB TRP 28 15.456 5.529 0.990
217 HB3 TRP 28 1HB TRP 28 13.876 5.610 0.226
218 HD1 TRP 28 HD TRP 28 13.660 4.177 -1.893
219 HE1 TRP 28 1HE TRP 28 15.287 3.110 -3.571
220 HE3 TRP 28 3HE TRP 28 18.048 6.089 -0.102
221 HZ2 TRP 28 2HZ TRP 28 18.056 3.089 -4.077
222 HZ3 TRP 28 3HZ TRP 28 20.144 5.497 -1.248
223 HH2 TRP 28 HH TRP 28 20.145 4.027 -3.191
224 H SER 29 H SER 29 15.413 7.254 -2.573
225 HA SER 29 HA SER 29 13.405 9.201 -3.240
226 HB2 SER 29 2HB SER 29 15.083 7.457 -5.035
227 HB3 SER 29 1HB SER 29 14.218 8.929 -5.494
228 HG SER 29 HG SER 29 15.582 9.824 -3.629
229 HN1 NH2 30 HT1 SER 29 11.367 8.524 -3.070
230 HN2 NH2 30 HT2 SER 29 10.733 7.028 -3.643
231 HA PCA 1 HA PCA 1 -12.951 3.876 -8.526
232 HB2 PCA 1 2HB PCA 1 -13.438 3.021 -5.837
233 HB3 PCA 1 1HB PCA 1 -14.115 4.453 -6.662
234 HG2 PCA 1 2HG PCA 1 -15.472 2.040 -5.929
235 HG3 PCA 1 1HG PCA 1 -16.132 3.423 -6.880
236 H LEU 2 H LEU 2 -10.956 3.398 -8.802
237 HA LEU 2 HA LEU 2 -9.816 0.898 -8.164
238 HB2 LEU 2 2HB LEU 2 -7.683 1.696 -8.919
239 HB3 LEU 2 1HB LEU 2 -8.917 2.260 -10.012
240 HG LEU 2 HG LEU 2 -7.610 4.000 -7.900
241 HD11 LEU 2 1HD1 LEU 2 -6.997 3.738 -10.837
242 HD12 LEU 2 2HD1 LEU 2 -5.959 3.233 -9.502
243 HD13 LEU 2 3HD1 LEU 2 -6.316 4.944 -9.746
244 HD21 LEU 2 3HD2 LEU 2 -9.813 4.805 -8.678
245 HD22 LEU 2 1HD2 LEU 2 -9.236 4.732 -10.343
246 HD23 LEU 2 2HD2 LEU 2 -8.503 5.860 -9.204
247 H TYR 3 H TYR 3 -9.941 3.871 -6.388
248 HA TYR 3 HA TYR 3 -7.903 3.181 -4.511
249 HB2 TYR 3 2HB TYR 3 -10.046 5.268 -4.541
250 HB3 TYR 3 1HB TYR 3 -9.109 4.962 -3.094
251 HD1 TYR 3 1HD TYR 3 -8.718 5.846 -6.703
252 HD2 TYR 3 2HD TYR 3 -7.066 5.969 -2.795
253 HE1 TYR 3 1HE TYR 3 -6.928 7.329 -7.505
254 HE2 TYR 3 2HE TYR 3 -5.288 7.447 -3.588
255 HH TYR 3 HH TYR 3 -4.162 7.952 -5.628
256 H SER 4 H SER 4 -11.433 3.173 -4.291
257 HA SER 4 HA SER 4 -11.638 2.121 -1.733
258 HB2 SER 4 2HB SER 4 -13.511 1.630 -4.039
259 HB3 SER 4 1HB SER 4 -13.907 1.665 -2.317
260 HG SER 4 HG SER 4 -13.147 3.888 -2.366
261 H ALA 5 H ALA 5 -11.314 0.527 -4.881
262 HA ALA 5 HA ALA 5 -11.615 -2.096 -3.831
263 HB1 ALA 5 1HB ALA 5 -10.930 -2.849 -6.045
264 HB2 ALA 5 2HB ALA 5 -10.449 -1.203 -6.464
265 HB3 ALA 5 3HB ALA 5 -12.146 -1.577 -6.157
266 H LEU 6 H LEU 6 -8.939 0.081 -4.292
267 HA LEU 6 HA LEU 6 -6.794 -1.724 -4.264
268 HB2 LEU 6 2HB LEU 6 -6.804 0.780 -4.789
269 HB3 LEU 6 1HB LEU 6 -6.826 1.052 -3.071
270 HG LEU 6 HG LEU 6 -4.559 -0.446 -4.390
271 HD11 LEU 6 1HD1 LEU 6 -3.396 1.713 -4.524
272 HD12 LEU 6 2HD1 LEU 6 -4.892 2.538 -4.079
273 HD13 LEU 6 3HD1 LEU 6 -4.800 1.621 -5.577
274 HD21 LEU 6 3HD2 LEU 6 -3.252 0.460 -2.442
275 HD22 LEU 6 1HD2 LEU 6 -4.615 -0.526 -1.908
276 HD23 LEU 6 2HD2 LEU 6 -4.709 1.229 -1.848
277 H ALA 7 H ALA 7 -8.276 0.100 -1.628
278 HA ALA 7 HA ALA 7 -6.782 -0.941 0.484
279 HB1 ALA 7 1HB ALA 7 -8.619 -0.222 1.940
280 HB2 ALA 7 2HB ALA 7 -9.673 -0.062 0.536
281 HB3 ALA 7 3HB ALA 7 -8.272 0.994 0.712
282 H ASN 8 H ASN 8 -9.761 -2.111 -0.955
283 HA ASN 8 HA ASN 8 -10.102 -4.295 0.832
284 HB2 ASN 8 2HB ASN 8 -11.286 -3.819 -1.906
285 HB3 ASN 8 1HB ASN 8 -11.753 -5.138 -0.841
286 HD21 ASN 8 1HD2 ASN 8 -11.527 -3.426 1.583
287 HD22 ASN 8 2HD2 ASN 8 -12.901 -2.413 1.533
288 H LYS 9 H LYS 9 -8.650 -3.972 -2.337
289 HA LYS 9 HA LYS 9 -8.157 -6.661 -2.913
290 HB2 LYS 9 2HB LYS 9 -7.893 -4.723 -4.489
291 HB3 LYS 9 1HB LYS 9 -6.473 -4.246 -3.593
292 HG2 LYS 9 2HG LYS 9 -5.795 -5.358 -5.591
293 HG3 LYS 9 1HG LYS 9 -5.388 -6.376 -4.208
294 HD2 LYS 9 2HD LYS 9 -6.310 -7.721 -6.003
295 HD3 LYS 9 1HD LYS 9 -7.413 -7.712 -4.632
296 HE2 LYS 9 2HE LYS 9 -8.795 -6.024 -5.744
297 HE3 LYS 9 1HE LYS 9 -7.670 -5.994 -7.103
298 HZ1 LYS 9 3HZ LYS 9 -8.186 -8.298 -7.518
299 HZ2 LYS 9 1HZ LYS 9 -9.587 -7.379 -7.569
300 HZ3 LYS 9 2HZ LYS 9 -9.246 -8.347 -6.225
301 H CYS 10 H CYS 10 -6.140 -4.285 -1.256
302 HA CYS 10 HA CYS 10 -3.961 -6.009 -0.730
303 HB2 CYS 10 2HB CYS 10 -4.866 -3.693 0.968
304 HB3 CYS 10 1HB CYS 10 -3.239 -4.335 0.786
305 H CYS 11 H CYS 11 -7.004 -5.435 0.913
306 HA CYS 11 HA CYS 11 -6.168 -6.795 3.298
307 HB2 CYS 11 2HB CYS 11 -7.815 -4.904 3.269
308 HB3 CYS 11 1HB CYS 11 -8.959 -5.976 2.486
309 H HIS 12 H HIS 12 -8.003 -7.557 0.427
310 HA HIS 12 HA HIS 12 -8.920 -10.089 1.397
311 HB2 HIS 12 2HB HIS 12 -8.917 -8.789 -1.304
312 HB3 HIS 12 1HB HIS 12 -9.409 -10.459 -1.106
313 HD1 HIS 12 1HD HIS 12 -11.904 -10.189 -1.591
314 HD2 HIS 12 2HD HIS 12 -10.511 -7.497 1.231
315 HE1 HIS 12 1HE HIS 12 -13.927 -8.989 -0.741
316 H VAL 13 H VAL 13 -6.500 -9.103 -0.942
317 HA VAL 13 HA VAL 13 -5.297 -11.756 -0.640
318 HB VAL 13 HB VAL 13 -4.627 -11.632 -3.058
319 HG11 VAL 13 1HG1 VAL 13 -6.498 -13.065 -2.297
320 HG12 VAL 13 2HG1 VAL 13 -6.868 -12.381 -3.888
321 HG13 VAL 13 3HG1 VAL 13 -7.587 -11.683 -2.436
322 HG21 VAL 13 3HG2 VAL 13 -6.004 -10.239 -4.570
323 HG22 VAL 13 1HG2 VAL 13 -4.998 -9.273 -3.490
324 HG23 VAL 13 2HG2 VAL 13 -6.719 -9.458 -3.159
325 H GLY 14 H GLY 14 -4.705 -8.507 -1.749
326 HA2 GLY 14 2HA GLY 14 -2.787 -7.517 -0.342
327 HA3 GLY 14 1HA GLY 14 -1.843 -8.733 -1.149
328 H CYS 15 H CYS 15 -1.074 -6.243 -1.638
329 HA CYS 15 HA CYS 15 -1.795 -5.854 -4.420
330 HB2 CYS 15 2HB CYS 15 -2.142 -3.438 -4.052
331 HB3 CYS 15 1HB CYS 15 -3.388 -4.432 -3.302
332 H THR 16 H THR 16 -0.330 -4.179 -5.395
333 HA THR 16 HA THR 16 2.282 -4.676 -4.416
334 HB THR 16 HB THR 16 3.007 -3.446 -6.451
335 HG1 THR 16 1HG THR 16 0.419 -3.498 -7.471
336 HG21 THR 16 3HG2 THR 16 2.664 -5.870 -6.538
337 HG22 THR 16 1HG2 THR 16 2.230 -5.119 -8.073
338 HG23 THR 16 2HG2 THR 16 0.968 -5.621 -6.947
339 H LYS 17 H LYS 17 3.699 -3.133 -3.939
340 HA LYS 17 HA LYS 17 2.768 -1.114 -2.151
341 HB2 LYS 17 2HB LYS 17 4.965 -2.444 -2.341
342 HB3 LYS 17 1HB LYS 17 5.585 -1.087 -3.256
343 HG2 LYS 17 2HG LYS 17 6.267 -0.859 -1.007
344 HG3 LYS 17 1HG LYS 17 4.989 0.346 -1.269
345 HD2 LYS 17 2HD LYS 17 3.381 -1.043 -0.136
346 HD3 LYS 17 1HD LYS 17 4.514 -2.391 -0.073
347 HE2 LYS 17 2HE LYS 17 4.819 0.249 1.376
348 HE3 LYS 17 1HE LYS 17 4.283 -1.269 2.091
349 HZ1 LYS 17 3HZ LYS 17 6.976 -0.721 0.951
350 HZ2 LYS 17 1HZ LYS 17 6.445 -2.240 1.471
351 HZ3 LYS 17 2HZ LYS 17 6.593 -0.958 2.558
352 H ARG 18 H ARG 18 3.736 -0.988 -5.522
353 HA ARG 18 HA ARG 18 3.743 1.826 -5.866
354 HB2 ARG 18 2HB ARG 18 2.914 1.353 -8.172
355 HB3 ARG 18 1HB ARG 18 4.490 0.657 -7.853
356 HG2 ARG 18 2HG ARG 18 3.216 -1.500 -7.487
357 HG3 ARG 18 1HG ARG 18 1.788 -0.641 -8.067
358 HD2 ARG 18 2HD ARG 18 2.995 -0.114 -10.153
359 HD3 ARG 18 1HD ARG 18 4.365 -1.056 -9.568
360 HE ARG 18 HE ARG 18 1.869 -2.475 -9.627
361 HH11 ARG 18 1HH1 ARG 18 4.804 -1.675 -11.458
362 HH12 ARG 18 2HH1 ARG 18 4.620 -2.931 -12.578
363 HH21 ARG 18 1HH2 ARG 18 1.633 -4.237 -11.161
364 HH22 ARG 18 2HH2 ARG 18 2.788 -4.425 -12.395
365 H SER 19 H SER 19 1.295 -0.450 -5.790
366 HA SER 19 HA SER 19 -0.852 1.104 -6.695
367 HB2 SER 19 2HB SER 19 -0.887 -1.345 -6.674
368 HB3 SER 19 1HB SER 19 -0.877 -1.405 -4.930
369 HG SER 19 HG SER 19 -2.873 -0.023 -6.371
370 H LEU 20 H LEU 20 0.112 0.248 -3.336
371 HA LEU 20 HA LEU 20 -1.718 2.210 -2.212
372 HB2 LEU 20 2HB LEU 20 0.663 1.448 -0.574
373 HB3 LEU 20 1HB LEU 20 -0.952 1.785 -0.122
374 HG LEU 20 HG LEU 20 -1.572 -0.490 -1.150
375 HD11 LEU 20 1HD1 LEU 20 0.594 -0.929 -2.208
376 HD12 LEU 20 2HD1 LEU 20 0.211 -2.131 -0.979
377 HD13 LEU 20 3HD1 LEU 20 1.361 -0.843 -0.621
378 HD21 LEU 20 3HD2 LEU 20 0.063 -0.278 1.335
379 HD22 LEU 20 1HD2 LEU 20 -1.076 -1.560 0.949
380 HD23 LEU 20 2HD2 LEU 20 -1.673 0.086 1.221
381 H ALA 21 H ALA 21 1.357 2.382 -3.523
382 HA ALA 21 HA ALA 21 2.247 4.773 -2.330
383 HB1 ALA 21 1HB ALA 21 3.726 3.360 -3.713
384 HB2 ALA 21 2HB ALA 21 3.748 5.041 -4.245
385 HB3 ALA 21 3HB ALA 21 2.822 3.843 -5.148
386 H ARG 22 H ARG 22 0.133 4.118 -5.003
387 HA ARG 22 HA ARG 22 -0.174 6.895 -5.773
388 HB2 ARG 22 2HB ARG 22 -1.733 4.465 -6.636
389 HB3 ARG 22 1HB ARG 22 -1.733 6.039 -7.424
390 HG2 ARG 22 2HG ARG 22 0.628 5.794 -7.932
391 HG3 ARG 22 1HG ARG 22 0.589 4.254 -7.051
392 HD2 ARG 22 2HD ARG 22 -0.942 3.332 -8.679
393 HD3 ARG 22 1HD ARG 22 -0.998 4.875 -9.538
394 HE ARG 22 HE ARG 22 1.642 3.939 -9.275
395 HH11 ARG 22 1HH1 ARG 22 -1.293 3.313 -11.129
396 HH12 ARG 22 2HH1 ARG 22 -0.464 2.808 -12.531
397 HH21 ARG 22 1HH2 ARG 22 2.774 3.240 -11.174
398 HH22 ARG 22 2HH2 ARG 22 1.894 2.736 -12.546
399 H PHE 23 H PHE 23 -1.526 4.700 -3.667
400 HA PHE 23 HA PHE 23 -4.138 5.914 -3.400
401 HB2 PHE 23 2HB PHE 23 -3.501 3.532 -2.602
402 HB3 PHE 23 1HB PHE 23 -2.752 4.315 -1.248
403 HD1 PHE 23 1HD PHE 23 -4.200 5.879 0.229
404 HD2 PHE 23 2HD PHE 23 -5.846 3.018 -2.458
405 HE1 PHE 23 1HE PHE 23 -6.321 5.927 1.469
406 HE2 PHE 23 2HE PHE 23 -7.955 3.072 -1.224
407 HZ PHE 23 HZ PHE 23 -8.200 4.525 0.740
408 H CYS 24 H CYS 24 -1.493 5.608 -1.274
409 HA CYS 24 HA CYS 24 -0.420 6.924 0.242
410 HB2 CYS 24 2HB CYS 24 -0.134 8.465 -1.725
411 HB3 CYS 24 1HB CYS 24 -1.594 9.312 -1.232
412 HN1 NH2 25 HT1 CYS 24 -3.123 9.208 -0.047
413 HN2 NH2 25 HT2 CYS 24 -3.741 8.916 1.538
Start of MODEL 14
1 H1 ASP 1 1HT ASP 1 12.709 -5.026 0.905
2 H2 ASP 1 2HT ASP 1 11.109 -4.582 0.691
3 H3 ASP 1 3HT ASP 1 11.783 -4.529 2.220
4 HA ASP 1 HA ASP 1 11.551 -2.344 1.306
5 HB2 ASP 1 2HB ASP 1 14.390 -3.293 1.633
6 HB3 ASP 1 1HB ASP 1 13.978 -1.596 1.416
7 H SER 2 H SER 2 12.930 -4.570 -0.993
8 HA SER 2 HA SER 2 13.651 -2.509 -2.832
9 HB2 SER 2 2HB SER 2 12.863 -5.265 -3.543
10 HB3 SER 2 1HB SER 2 13.980 -4.231 -4.398
11 HG SER 2 HG SER 2 14.760 -4.617 -1.813
12 H TRP 3 H TRP 3 12.360 -1.460 -3.922
13 HA TRP 3 HA TRP 3 9.590 -1.446 -3.361
14 HB2 TRP 3 2HB TRP 3 11.031 0.145 -5.486
15 HB3 TRP 3 1HB TRP 3 9.402 0.464 -4.899
16 HD1 TRP 3 HD TRP 3 12.904 1.453 -4.309
17 HE1 TRP 3 1HE TRP 3 13.145 2.763 -2.092
18 HE3 TRP 3 3HE TRP 3 8.341 0.414 -2.209
19 HZ2 TRP 3 2HZ TRP 3 11.632 3.278 0.204
20 HZ3 TRP 3 3HZ TRP 3 7.841 1.353 0.007
21 HH2 TRP 3 HH TRP 3 9.447 2.753 1.181
22 H MET 4 H MET 4 11.340 -2.673 -6.085
23 HA MET 4 HA MET 4 9.174 -3.049 -7.850
24 HB2 MET 4 2HB MET 4 11.683 -4.743 -7.676
25 HB3 MET 4 1HB MET 4 10.582 -4.669 -9.033
26 HG2 MET 4 2HG MET 4 12.456 -3.388 -9.643
27 HG3 MET 4 1HG MET 4 11.193 -2.229 -9.253
28 HE1 MET 4 3HE MET 4 14.612 -3.812 -8.224
29 HE2 MET 4 1HE MET 4 13.601 -4.341 -6.879
30 HE3 MET 4 2HE MET 4 14.880 -3.159 -6.611
31 H GLU 5 H GLU 5 10.281 -4.874 -5.089
32 HA GLU 5 HA GLU 5 8.424 -7.030 -5.788
33 HB2 GLU 5 2HB GLU 5 10.887 -7.110 -4.057
34 HB3 GLU 5 1HB GLU 5 9.766 -8.448 -4.260
35 HG2 GLU 5 2HG GLU 5 11.490 -7.188 -6.373
36 HG3 GLU 5 1HG GLU 5 11.660 -8.798 -5.671
37 H GLU 6 H GLU 6 8.311 -4.375 -4.108
38 HA GLU 6 HA GLU 6 7.535 -5.427 -1.579
39 HB2 GLU 6 2HB GLU 6 7.287 -2.643 -2.694
40 HB3 GLU 6 1HB GLU 6 6.677 -3.204 -1.130
41 HG2 GLU 6 2HG GLU 6 9.551 -3.339 -1.944
42 HG3 GLU 6 1HG GLU 6 8.843 -2.039 -0.984
43 H VAL 7 H VAL 7 5.898 -6.415 -1.326
44 HA VAL 7 HA VAL 7 3.298 -5.473 -2.155
45 HB VAL 7 HB VAL 7 3.820 -7.040 -3.990
46 HG11 VAL 7 1HG1 VAL 7 5.532 -8.372 -2.914
47 HG12 VAL 7 2HG1 VAL 7 4.284 -9.405 -3.607
48 HG13 VAL 7 3HG1 VAL 7 4.320 -9.114 -1.869
49 HG21 VAL 7 3HG2 VAL 7 1.948 -8.659 -3.743
50 HG22 VAL 7 1HG2 VAL 7 1.491 -7.034 -3.238
51 HG23 VAL 7 2HG2 VAL 7 1.845 -8.250 -2.032
52 H ILE 8 H ILE 8 1.812 -5.783 -0.643
53 HA ILE 8 HA ILE 8 2.379 -7.641 1.488
54 HB ILE 8 HB ILE 8 1.929 -6.078 3.273
55 HG12 ILE 8 2HG1 ILE 8 0.479 -4.448 2.071
56 HG13 ILE 8 1HG1 ILE 8 1.705 -3.665 3.050
57 HG21 ILE 8 1HG2 ILE 8 4.232 -6.369 2.797
58 HG22 ILE 8 2HG2 ILE 8 3.949 -4.706 3.310
59 HG23 ILE 8 3HG2 ILE 8 4.196 -5.071 1.602
60 HD11 ILE 8 3HD1 ILE 8 1.406 -2.513 0.946
61 HD12 ILE 8 1HD1 ILE 8 1.739 -3.998 0.052
62 HD13 ILE 8 2HD1 ILE 8 3.012 -3.238 1.007
63 H LYS 9 H LYS 9 0.486 -7.980 2.789
64 HA LYS 9 HA LYS 9 -1.916 -7.032 1.495
65 HB2 LYS 9 2HB LYS 9 -3.029 -9.216 2.035
66 HB3 LYS 9 1HB LYS 9 -1.811 -9.297 0.778
67 HG2 LYS 9 2HG LYS 9 -0.222 -10.230 2.423
68 HG3 LYS 9 1HG LYS 9 -1.500 -10.188 3.639
69 HD2 LYS 9 2HD LYS 9 -1.597 -11.739 1.047
70 HD3 LYS 9 1HD LYS 9 -1.251 -12.428 2.630
71 HE2 LYS 9 2HE LYS 9 -3.834 -11.081 1.800
72 HE3 LYS 9 1HE LYS 9 -3.581 -12.808 1.981
73 HZ1 LYS 9 3HZ LYS 9 -3.112 -12.434 4.345
74 HZ2 LYS 9 1HZ LYS 9 -4.655 -11.910 3.907
75 HZ3 LYS 9 2HZ LYS 9 -3.451 -10.784 4.149
76 H LEU 10 H LEU 10 -1.921 -5.418 2.901
77 HA LEU 10 HA LEU 10 -2.624 -6.067 5.682
78 HB2 LEU 10 2HB LEU 10 -1.287 -3.692 4.453
79 HB3 LEU 10 1HB LEU 10 -2.237 -3.490 5.891
80 HG LEU 10 HG LEU 10 -0.837 -4.892 7.176
81 HD11 LEU 10 1HD1 LEU 10 0.739 -5.393 4.650
82 HD12 LEU 10 2HD1 LEU 10 -0.225 -6.595 5.513
83 HD13 LEU 10 3HD1 LEU 10 1.234 -5.927 6.255
84 HD21 LEU 10 3HD2 LEU 10 -0.109 -2.579 6.883
85 HD22 LEU 10 1HD2 LEU 10 0.877 -3.067 5.511
86 HD23 LEU 10 2HD2 LEU 10 1.267 -3.658 7.128
87 H CYS 11 H CYS 11 -4.005 -4.254 6.569
88 HA CYS 11 HA CYS 11 -6.106 -3.536 4.691
89 HB2 CYS 11 2HB CYS 11 -6.507 -5.786 5.088
90 HB3 CYS 11 1HB CYS 11 -6.539 -5.606 6.853
91 H GLY 12 H GLY 12 -7.725 -2.400 5.673
92 HA2 GLY 12 2HA GLY 12 -8.476 -0.544 6.933
93 HA3 GLY 12 1HA GLY 12 -7.988 -1.526 8.284
94 H ARG 13 H ARG 13 -6.854 -0.564 9.571
95 HA ARG 13 HA ARG 13 -5.618 1.961 9.209
96 HB2 ARG 13 2HB ARG 13 -5.163 -0.067 11.382
97 HB3 ARG 13 1HB ARG 13 -4.619 1.596 11.420
98 HG2 ARG 13 2HG ARG 13 -6.908 2.368 11.475
99 HG3 ARG 13 1HG ARG 13 -7.490 0.706 11.325
100 HD2 ARG 13 2HD ARG 13 -5.821 1.809 13.584
101 HD3 ARG 13 1HD ARG 13 -7.541 1.440 13.663
102 HE ARG 13 HE ARG 13 -6.453 -0.899 12.878
103 HH11 ARG 13 1HH1 ARG 13 -5.750 1.243 15.583
104 HH12 ARG 13 2HH1 ARG 13 -5.152 0.027 16.607
105 HH21 ARG 13 1HH2 ARG 13 -5.633 -2.611 14.280
106 HH22 ARG 13 2HH2 ARG 13 -5.121 -2.224 15.852
107 H GLU 14 H GLU 14 -4.332 -1.353 9.226
108 HA GLU 14 HA GLU 14 -1.611 -0.598 9.344
109 HB2 GLU 14 2HB GLU 14 -2.885 -3.122 8.297
110 HB3 GLU 14 1HB GLU 14 -1.172 -2.909 8.563
111 HG2 GLU 14 2HG GLU 14 -1.907 -4.134 10.404
112 HG3 GLU 14 1HG GLU 14 -1.800 -2.487 11.012
113 H LEU 15 H LEU 15 -3.888 -1.108 6.893
114 HA LEU 15 HA LEU 15 -2.113 -1.121 4.695
115 HB2 LEU 15 2HB LEU 15 -4.498 -1.921 4.776
116 HB3 LEU 15 1HB LEU 15 -4.981 -0.243 4.692
117 HG LEU 15 HG LEU 15 -3.940 -0.044 2.489
118 HD11 LEU 15 1HD1 LEU 15 -3.119 -2.074 1.384
119 HD12 LEU 15 2HD1 LEU 15 -3.341 -2.974 2.885
120 HD13 LEU 15 3HD1 LEU 15 -2.144 -1.682 2.798
121 HD21 LEU 15 3HD2 LEU 15 -6.266 -0.701 2.646
122 HD22 LEU 15 1HD2 LEU 15 -5.788 -2.393 2.811
123 HD23 LEU 15 2HD2 LEU 15 -5.467 -1.535 1.303
124 H VAL 16 H VAL 16 -3.959 1.393 6.323
125 HA VAL 16 HA VAL 16 -3.115 3.602 4.704
126 HB VAL 16 HB VAL 16 -3.950 3.568 7.625
127 HG11 VAL 16 1HG1 VAL 16 -3.897 5.855 5.658
128 HG12 VAL 16 2HG1 VAL 16 -2.821 5.634 7.041
129 HG13 VAL 16 3HG1 VAL 16 -4.543 5.919 7.300
130 HG21 VAL 16 3HG2 VAL 16 -5.627 4.009 5.161
131 HG22 VAL 16 1HG2 VAL 16 -6.178 4.220 6.824
132 HG23 VAL 16 2HG2 VAL 16 -5.695 2.623 6.251
133 H ARG 17 H ARG 17 -1.862 2.041 7.588
134 HA ARG 17 HA ARG 17 0.240 3.786 8.121
135 HB2 ARG 17 2HB ARG 17 -0.071 0.849 8.630
136 HB3 ARG 17 1HB ARG 17 1.335 1.744 9.181
137 HG2 ARG 17 2HG ARG 17 -0.062 3.142 10.568
138 HG3 ARG 17 1HG ARG 17 -1.511 2.353 9.943
139 HD2 ARG 17 2HD ARG 17 -0.807 1.524 12.179
140 HD3 ARG 17 1HD ARG 17 -0.881 0.265 10.959
141 HE ARG 17 HE ARG 17 1.469 0.261 10.844
142 HH11 ARG 17 1HH1 ARG 17 0.184 2.192 13.523
143 HH12 ARG 17 2HH1 ARG 17 1.589 2.075 14.471
144 HH21 ARG 17 1HH2 ARG 17 3.410 0.097 12.174
145 HH22 ARG 17 2HH2 ARG 17 3.485 0.882 13.681
146 H ALA 18 H ALA 18 0.120 0.967 6.084
147 HA ALA 18 HA ALA 18 2.811 1.030 5.200
148 HB1 ALA 18 1HB ALA 18 1.385 -0.950 4.927
149 HB2 ALA 18 2HB ALA 18 2.084 -0.452 3.386
150 HB3 ALA 18 3HB ALA 18 0.400 -0.078 3.753
151 H GLN 19 H GLN 19 -0.084 2.557 4.047
152 HA GLN 19 HA GLN 19 0.890 3.711 1.675
153 HB2 GLN 19 2HB GLN 19 -1.310 4.223 3.574
154 HB3 GLN 19 1HB GLN 19 -1.056 5.430 2.349
155 HG2 GLN 19 2HG GLN 19 -1.421 3.815 0.637
156 HG3 GLN 19 1HG GLN 19 -1.382 2.497 1.814
157 HE21 GLN 19 1HE2 GLN 19 -3.344 1.748 1.230
158 HE22 GLN 19 2HE2 GLN 19 -4.816 2.566 1.592
159 H ILE 20 H ILE 20 0.464 5.113 4.883
160 HA ILE 20 HA ILE 20 1.844 7.523 4.427
161 HB ILE 20 HB ILE 20 1.598 5.983 7.037
162 HG12 ILE 20 2HG1 ILE 20 -0.115 8.221 5.921
163 HG13 ILE 20 1HG1 ILE 20 -0.571 6.526 5.994
164 HG21 ILE 20 1HG2 ILE 20 1.987 8.147 8.157
165 HG22 ILE 20 2HG2 ILE 20 2.257 8.904 6.587
166 HG23 ILE 20 3HG2 ILE 20 3.372 7.669 7.172
167 HD11 ILE 20 3HD1 ILE 20 -1.627 7.812 7.768
168 HD12 ILE 20 1HD1 ILE 20 -0.043 8.312 8.361
169 HD13 ILE 20 2HD1 ILE 20 -0.517 6.614 8.435
170 H ALA 21 H ALA 21 2.978 4.334 5.298
171 HA ALA 21 HA ALA 21 5.661 4.995 5.812
172 HB1 ALA 21 1HB ALA 21 4.559 2.362 4.853
173 HB2 ALA 21 2HB ALA 21 4.606 2.891 6.533
174 HB3 ALA 21 3HB ALA 21 6.109 2.624 5.655
175 H ILE 22 H ILE 22 3.943 4.215 2.843
176 HA ILE 22 HA ILE 22 6.395 4.153 1.341
177 HB ILE 22 HB ILE 22 4.150 2.837 0.780
178 HG12 ILE 22 2HG1 ILE 22 6.161 2.665 -0.623
179 HG13 ILE 22 1HG1 ILE 22 4.694 2.692 -1.594
180 HG21 ILE 22 1HG2 ILE 22 2.624 4.661 0.687
181 HG22 ILE 22 2HG2 ILE 22 2.700 3.837 -0.871
182 HG23 ILE 22 3HG2 ILE 22 3.520 5.383 -0.649
183 HD11 ILE 22 3HD1 ILE 22 6.613 4.978 -1.207
184 HD12 ILE 22 1HD1 ILE 22 5.157 5.011 -2.202
185 HD13 ILE 22 2HD1 ILE 22 6.498 3.946 -2.632
186 H CYS 23 H CYS 23 3.771 6.429 1.875
187 HA CYS 23 HA CYS 23 4.782 8.294 -0.029
188 HB2 CYS 23 2HB CYS 23 2.672 8.376 2.055
189 HB3 CYS 23 1HB CYS 23 3.179 9.850 1.238
190 H GLY 24 H GLY 24 5.325 7.777 3.274
191 HA2 GLY 24 2HA GLY 24 6.755 10.273 3.653
192 HA3 GLY 24 1HA GLY 24 6.611 8.975 4.829
193 H MET 25 H MET 25 7.491 7.278 2.333
194 HA MET 25 HA MET 25 10.372 7.853 2.434
195 HB2 MET 25 2HB MET 25 9.647 5.947 3.998
196 HB3 MET 25 1HB MET 25 9.143 5.076 2.559
197 HG2 MET 25 2HG MET 25 11.299 4.280 3.235
198 HG3 MET 25 1HG MET 25 11.477 5.185 1.733
199 HE1 MET 25 3HE MET 25 14.836 5.945 3.589
200 HE2 MET 25 1HE MET 25 14.091 5.352 2.104
201 HE3 MET 25 2HE MET 25 13.933 4.430 3.599
202 H SER 26 H SER 26 8.838 8.812 0.513
203 HA SER 26 HA SER 26 8.239 6.898 -1.501
204 HB2 SER 26 2HB SER 26 7.462 9.072 -2.703
205 HB3 SER 26 1HB SER 26 6.555 8.436 -1.327
206 HG SER 26 HG SER 26 6.977 10.172 -0.282
207 H THR 27 H THR 27 10.485 6.370 -1.547
208 HA THR 27 HA THR 27 12.253 7.989 -3.115
209 HB THR 27 HB THR 27 12.434 5.010 -2.646
210 HG1 THR 27 1HG THR 27 12.685 7.154 -0.911
211 HG21 THR 27 3HG2 THR 27 14.864 5.405 -2.820
212 HG22 THR 27 1HG2 THR 27 14.561 7.117 -3.110
213 HG23 THR 27 2HG2 THR 27 14.032 5.917 -4.289
214 H TRP 28 H TRP 28 10.273 5.393 -3.594
215 HA TRP 28 HA TRP 28 10.020 5.924 -6.453
216 HB2 TRP 28 2HB TRP 28 10.674 3.196 -5.326
217 HB3 TRP 28 1HB TRP 28 9.962 3.415 -6.922
218 HD1 TRP 28 HD TRP 28 13.249 3.551 -5.096
219 HE1 TRP 28 1HE TRP 28 15.120 4.168 -6.754
220 HE3 TRP 28 3HE TRP 28 10.388 4.864 -9.122
221 HZ2 TRP 28 2HZ TRP 28 15.360 5.086 -9.397
222 HZ3 TRP 28 3HZ TRP 28 11.519 5.601 -11.176
223 HH2 TRP 28 HH TRP 28 13.954 5.709 -11.309
224 H SER 29 H SER 29 7.985 6.084 -6.996
225 HA SER 29 HA SER 29 6.006 4.811 -5.258
226 HB2 SER 29 2HB SER 29 5.716 7.272 -6.998
227 HB3 SER 29 1HB SER 29 4.472 6.602 -5.940
228 HG SER 29 HG SER 29 7.027 7.463 -5.078
229 HN1 NH2 30 HT1 SER 29 6.005 2.871 -6.383
230 HN2 NH2 30 HT2 SER 29 5.396 2.718 -7.995
231 HA PCA 1 HA PCA 1 -14.356 3.709 -4.489
232 HB2 PCA 1 2HB PCA 1 -14.202 1.823 -6.618
233 HB3 PCA 1 1HB PCA 1 -15.691 2.349 -5.783
234 HG2 PCA 1 2HG PCA 1 -14.822 2.987 -8.472
235 HG3 PCA 1 1HG PCA 1 -16.318 3.532 -7.640
236 H LEU 2 H LEU 2 -12.204 5.065 -5.695
237 HA LEU 2 HA LEU 2 -9.957 3.380 -6.404
238 HB2 LEU 2 2HB LEU 2 -9.931 6.106 -5.154
239 HB3 LEU 2 1HB LEU 2 -8.555 5.299 -5.876
240 HG LEU 2 HG LEU 2 -11.026 6.210 -7.345
241 HD11 LEU 2 1HD1 LEU 2 -9.510 7.841 -8.364
242 HD12 LEU 2 2HD1 LEU 2 -8.217 7.298 -7.294
243 HD13 LEU 2 3HD1 LEU 2 -9.654 8.074 -6.626
244 HD21 LEU 2 3HD2 LEU 2 -10.038 4.216 -8.349
245 HD22 LEU 2 1HD2 LEU 2 -8.460 5.007 -8.363
246 HD23 LEU 2 2HD2 LEU 2 -9.772 5.640 -9.352
247 H TYR 3 H TYR 3 -10.934 4.692 -3.343
248 HA TYR 3 HA TYR 3 -8.654 3.405 -2.219
249 HB2 TYR 3 2HB TYR 3 -9.650 5.612 -1.386
250 HB3 TYR 3 1HB TYR 3 -10.886 4.609 -0.609
251 HD1 TYR 3 2HD TYR 3 -7.261 4.608 -1.123
252 HD2 TYR 3 1HD TYR 3 -10.453 3.996 1.594
253 HE1 TYR 3 2HE TYR 3 -5.671 4.052 0.526
254 HE2 TYR 3 1HE TYR 3 -8.842 3.408 3.350
255 HH TYR 3 HH TYR 3 -5.553 4.056 3.020
256 H SER 4 H SER 4 -12.084 2.930 -2.426
257 HA SER 4 HA SER 4 -12.487 0.853 -0.674
258 HB2 SER 4 2HB SER 4 -13.750 1.260 -3.372
259 HB3 SER 4 1HB SER 4 -14.461 0.456 -1.970
260 HG SER 4 HG SER 4 -14.998 2.276 -1.216
261 H ALA 5 H ALA 5 -11.647 0.733 -4.140
262 HA ALA 5 HA ALA 5 -11.559 -2.071 -4.286
263 HB1 ALA 5 1HB ALA 5 -10.528 -1.745 -6.458
264 HB2 ALA 5 2HB ALA 5 -10.232 -0.049 -6.066
265 HB3 ALA 5 3HB ALA 5 -11.885 -0.636 -6.244
266 H LEU 6 H LEU 6 -9.030 0.350 -3.745
267 HA LEU 6 HA LEU 6 -6.877 -1.476 -3.805
268 HB2 LEU 6 2HB LEU 6 -6.528 0.960 -3.915
269 HB3 LEU 6 1HB LEU 6 -7.118 1.126 -2.274
270 HG LEU 6 HG LEU 6 -5.187 -0.314 -1.536
271 HD11 LEU 6 1HD1 LEU 6 -3.256 -0.487 -3.017
272 HD12 LEU 6 2HD1 LEU 6 -4.219 0.172 -4.338
273 HD13 LEU 6 3HD1 LEU 6 -4.649 -1.381 -3.620
274 HD21 LEU 6 3HD2 LEU 6 -5.151 2.096 -1.228
275 HD22 LEU 6 1HD2 LEU 6 -4.534 2.309 -2.865
276 HD23 LEU 6 2HD2 LEU 6 -3.542 1.509 -1.648
277 H ALA 7 H ALA 7 -8.738 -0.136 -1.090
278 HA ALA 7 HA ALA 7 -7.476 -1.432 1.000
279 HB1 ALA 7 1HB ALA 7 -9.516 -1.051 2.274
280 HB2 ALA 7 2HB ALA 7 -10.401 -0.730 0.783
281 HB3 ALA 7 3HB ALA 7 -9.116 0.363 1.300
282 H ASN 8 H ASN 8 -10.269 -2.466 -0.862
283 HA ASN 8 HA ASN 8 -10.728 -4.909 0.434
284 HB2 ASN 8 2HB ASN 8 -12.376 -3.902 -1.055
285 HB3 ASN 8 1HB ASN 8 -11.288 -4.093 -2.422
286 HD21 ASN 8 1HD2 ASN 8 -11.138 -6.103 -3.438
287 HD22 ASN 8 2HD2 ASN 8 -12.156 -7.411 -3.024
288 H LYS 9 H LYS 9 -8.685 -4.054 -2.264
289 HA LYS 9 HA LYS 9 -8.103 -6.712 -3.065
290 HB2 LYS 9 2HB LYS 9 -7.924 -4.583 -4.486
291 HB3 LYS 9 1HB LYS 9 -6.505 -4.227 -3.559
292 HG2 LYS 9 2HG LYS 9 -5.314 -6.073 -4.403
293 HG3 LYS 9 1HG LYS 9 -6.760 -6.731 -5.180
294 HD2 LYS 9 2HD LYS 9 -6.895 -4.712 -6.577
295 HD3 LYS 9 1HD LYS 9 -5.408 -4.125 -5.832
296 HE2 LYS 9 2HE LYS 9 -4.178 -5.979 -6.721
297 HE3 LYS 9 1HE LYS 9 -5.654 -6.713 -7.350
298 HZ1 LYS 9 3HZ LYS 9 -4.464 -4.137 -8.225
299 HZ2 LYS 9 1HZ LYS 9 -5.912 -4.795 -8.810
300 HZ3 LYS 9 2HZ LYS 9 -4.455 -5.593 -9.081
301 H CYS 10 H CYS 10 -6.263 -4.371 -1.166
302 HA CYS 10 HA CYS 10 -4.081 -6.180 -0.764
303 HB2 CYS 10 2HB CYS 10 -4.883 -3.905 1.030
304 HB3 CYS 10 1HB CYS 10 -3.271 -4.542 0.750
305 H CYS 11 H CYS 11 -7.085 -5.479 0.932
306 HA CYS 11 HA CYS 11 -6.420 -6.814 3.325
307 HB2 CYS 11 2HB CYS 11 -8.272 -5.090 2.924
308 HB3 CYS 11 1HB CYS 11 -9.203 -6.394 2.220
309 H HIS 12 H HIS 12 -7.796 -7.847 0.242
310 HA HIS 12 HA HIS 12 -8.243 -10.488 1.362
311 HB2 HIS 12 2HB HIS 12 -9.089 -9.212 -1.209
312 HB3 HIS 12 1HB HIS 12 -9.229 -10.945 -0.981
313 HD1 HIS 12 1HD HIS 12 -11.233 -11.745 0.478
314 HD2 HIS 12 2HD HIS 12 -10.691 -7.635 0.464
315 HE1 HIS 12 1HE HIS 12 -13.259 -10.779 1.616
316 H VAL 13 H VAL 13 -6.616 -9.202 -1.540
317 HA VAL 13 HA VAL 13 -5.144 -11.717 -1.550
318 HB VAL 13 HB VAL 13 -4.477 -11.148 -3.894
319 HG11 VAL 13 1HG1 VAL 13 -6.260 -12.760 -3.422
320 HG12 VAL 13 2HG1 VAL 13 -6.682 -11.822 -4.859
321 HG13 VAL 13 3HG1 VAL 13 -7.425 -11.441 -3.305
322 HG21 VAL 13 3HG2 VAL 13 -4.934 -8.762 -3.936
323 HG22 VAL 13 1HG2 VAL 13 -6.649 -9.060 -3.660
324 HG23 VAL 13 2HG2 VAL 13 -5.897 -9.572 -5.170
325 H GLY 14 H GLY 14 -4.604 -8.326 -2.027
326 HA2 GLY 14 2HA GLY 14 -2.648 -7.516 -0.545
327 HA3 GLY 14 1HA GLY 14 -1.765 -8.730 -1.404
328 H CYS 15 H CYS 15 -1.083 -6.064 -1.449
329 HA CYS 15 HA CYS 15 -1.382 -5.584 -4.283
330 HB2 CYS 15 2HB CYS 15 -1.721 -3.170 -3.827
331 HB3 CYS 15 1HB CYS 15 -3.082 -4.187 -3.374
332 H THR 16 H THR 16 0.239 -4.107 -5.048
333 HA THR 16 HA THR 16 2.657 -4.564 -3.684
334 HB THR 16 HB THR 16 3.601 -3.292 -5.648
335 HG1 THR 16 1HG THR 16 1.667 -3.516 -7.366
336 HG21 THR 16 3HG2 THR 16 1.898 -5.728 -6.125
337 HG22 THR 16 1HG2 THR 16 3.576 -5.701 -5.591
338 HG23 THR 16 2HG2 THR 16 3.155 -5.147 -7.216
339 H LYS 17 H LYS 17 3.987 -3.002 -3.023
340 HA LYS 17 HA LYS 17 2.887 -0.842 -1.509
341 HB2 LYS 17 2HB LYS 17 5.146 -2.095 -1.351
342 HB3 LYS 17 1HB LYS 17 5.715 -0.922 -2.522
343 HG2 LYS 17 2HG LYS 17 6.394 -0.145 -0.446
344 HG3 LYS 17 1HG LYS 17 4.992 0.860 -0.860
345 HD2 LYS 17 2HD LYS 17 4.773 0.254 1.445
346 HD3 LYS 17 1HD LYS 17 3.614 -0.737 0.559
347 HE2 LYS 17 2HE LYS 17 4.762 -2.115 2.180
348 HE3 LYS 17 1HE LYS 17 5.272 -2.609 0.573
349 HZ1 LYS 17 3HZ LYS 17 7.240 -0.915 1.089
350 HZ2 LYS 17 1HZ LYS 17 7.276 -2.475 1.735
351 HZ3 LYS 17 2HZ LYS 17 6.764 -1.204 2.661
352 H ARG 18 H ARG 18 4.247 -1.143 -4.659
353 HA ARG 18 HA ARG 18 4.401 1.528 -5.502
354 HB2 ARG 18 2HB ARG 18 3.768 -0.929 -7.153
355 HB3 ARG 18 1HB ARG 18 4.420 0.588 -7.749
356 HG2 ARG 18 2HG ARG 18 6.490 0.203 -6.522
357 HG3 ARG 18 1HG ARG 18 5.834 -1.292 -5.856
358 HD2 ARG 18 2HD ARG 18 6.351 -0.728 -8.788
359 HD3 ARG 18 1HD ARG 18 7.347 -1.716 -7.733
360 HE ARG 18 HE ARG 18 5.670 -3.371 -7.701
361 HH11 ARG 18 1HH1 ARG 18 4.913 -0.729 -9.960
362 HH12 ARG 18 2HH1 ARG 18 3.755 -1.640 -10.822
363 HH21 ARG 18 1HH2 ARG 18 4.134 -4.599 -8.933
364 HH22 ARG 18 2HH2 ARG 18 3.303 -3.885 -10.242
365 H SER 19 H SER 19 1.752 -0.747 -5.250
366 HA SER 19 HA SER 19 -0.061 0.714 -6.858
367 HB2 SER 19 2HB SER 19 -0.284 -1.705 -6.617
368 HB3 SER 19 1HB SER 19 -0.526 -1.557 -4.890
369 HG SER 19 HG SER 19 -2.321 0.000 -5.831
370 H LEU 20 H LEU 20 0.440 0.288 -3.350
371 HA LEU 20 HA LEU 20 -1.647 2.207 -2.753
372 HB2 LEU 20 2HB LEU 20 0.606 1.873 -0.745
373 HB3 LEU 20 1HB LEU 20 -1.059 2.264 -0.524
374 HG LEU 20 HG LEU 20 -1.611 -0.139 -1.138
375 HD11 LEU 20 1HD1 LEU 20 0.100 -1.745 -0.636
376 HD12 LEU 20 2HD1 LEU 20 1.263 -0.449 -0.380
377 HD13 LEU 20 3HD1 LEU 20 0.605 -0.741 -1.995
378 HD21 LEU 20 3HD2 LEU 20 -0.164 0.589 1.382
379 HD22 LEU 20 1HD2 LEU 20 -1.139 -0.863 1.148
380 HD23 LEU 20 2HD2 LEU 20 -1.902 0.716 1.052
381 H ALA 21 H ALA 21 1.611 2.410 -3.503
382 HA ALA 21 HA ALA 21 2.062 5.075 -2.776
383 HB1 ALA 21 1HB ALA 21 3.895 5.097 -4.341
384 HB2 ALA 21 2HB ALA 21 3.248 3.675 -5.158
385 HB3 ALA 21 3HB ALA 21 3.848 3.544 -3.505
386 H ARG 22 H ARG 22 0.638 3.796 -5.743
387 HA ARG 22 HA ARG 22 0.480 6.455 -6.836
388 HB2 ARG 22 2HB ARG 22 -0.745 5.499 -8.743
389 HB3 ARG 22 1HB ARG 22 0.755 4.654 -8.424
390 HG2 ARG 22 2HG ARG 22 -0.416 2.800 -7.474
391 HG3 ARG 22 1HG ARG 22 -1.948 3.674 -7.544
392 HD2 ARG 22 2HD ARG 22 -1.850 3.707 -9.968
393 HD3 ARG 22 1HD ARG 22 -0.273 2.928 -9.941
394 HE ARG 22 HE ARG 22 -1.311 0.950 -9.119
395 HH11 ARG 22 1HH1 ARG 22 -3.657 3.391 -10.210
396 HH12 ARG 22 2HH1 ARG 22 -4.836 2.265 -10.657
397 HH21 ARG 22 1HH2 ARG 22 -2.982 -0.595 -9.676
398 HH22 ARG 22 2HH2 ARG 22 -4.465 -0.063 -10.308
399 H PHE 23 H PHE 23 -1.414 4.696 -4.731
400 HA PHE 23 HA PHE 23 -3.767 6.292 -5.375
401 HB2 PHE 23 2HB PHE 23 -3.395 3.985 -3.498
402 HB3 PHE 23 1HB PHE 23 -4.832 4.995 -3.426
403 HD1 PHE 23 1HD PHE 23 -6.357 5.080 -5.386
404 HD2 PHE 23 2HD PHE 23 -3.117 2.350 -5.188
405 HE1 PHE 23 1HE PHE 23 -7.376 3.738 -7.177
406 HE2 PHE 23 2HE PHE 23 -4.124 1.009 -6.975
407 HZ PHE 23 HZ PHE 23 -6.253 1.701 -7.973
408 H CYS 24 H CYS 24 -1.587 5.733 -2.797
409 HA CYS 24 HA CYS 24 -2.509 7.719 -1.026
410 HB2 CYS 24 2HB CYS 24 -0.986 6.001 -0.242
411 HB3 CYS 24 1HB CYS 24 0.243 6.501 -1.388
412 HN1 NH2 25 HT1 CYS 24 0.534 7.999 -2.882
413 HN2 NH2 25 HT2 CYS 24 0.324 9.667 -3.260
Start of MODEL 15
1 H1 ASP 1 1HT ASP 1 12.125 1.129 1.894
2 H2 ASP 1 2HT ASP 1 12.984 -0.317 1.830
3 H3 ASP 1 3HT ASP 1 11.992 0.017 3.171
4 HA ASP 1 HA ASP 1 10.956 -1.584 1.705
5 HB2 ASP 1 2HB ASP 1 9.643 1.125 1.525
6 HB3 ASP 1 1HB ASP 1 8.852 -0.425 1.341
7 H SER 2 H SER 2 10.171 -2.083 -0.334
8 HA SER 2 HA SER 2 11.443 -0.532 -2.487
9 HB2 SER 2 2HB SER 2 10.240 -3.274 -2.701
10 HB3 SER 2 1HB SER 2 11.352 -2.488 -3.802
11 HG SER 2 HG SER 2 12.738 -2.446 -1.726
12 H TRP 3 H TRP 3 10.159 0.184 -4.121
13 HA TRP 3 HA TRP 3 7.317 0.186 -3.515
14 HB2 TRP 3 2HB TRP 3 8.769 1.855 -5.576
15 HB3 TRP 3 1HB TRP 3 7.090 2.028 -5.092
16 HD1 TRP 3 HD TRP 3 9.655 4.179 -4.838
17 HE1 TRP 3 1HE TRP 3 9.954 5.367 -2.595
18 HE3 TRP 3 3HE TRP 3 6.991 0.999 -1.818
19 HZ2 TRP 3 2HZ TRP 3 9.210 5.021 0.080
20 HZ3 TRP 3 3HZ TRP 3 6.853 1.483 0.529
21 HH2 TRP 3 HH TRP 3 7.937 3.468 1.499
22 H MET 4 H MET 4 9.511 -0.538 -6.174
23 HA MET 4 HA MET 4 7.411 -1.151 -7.980
24 HB2 MET 4 2HB MET 4 9.752 -0.402 -8.588
25 HB3 MET 4 1HB MET 4 10.290 -2.034 -8.239
26 HG2 MET 4 2HG MET 4 8.212 -1.345 -10.325
27 HG3 MET 4 1HG MET 4 9.925 -1.500 -10.667
28 HE1 MET 4 3HE MET 4 11.234 -3.779 -10.663
29 HE2 MET 4 1HE MET 4 10.548 -5.309 -10.110
30 HE3 MET 4 2HE MET 4 10.808 -3.996 -8.964
31 H GLU 5 H GLU 5 9.595 -3.263 -6.083
32 HA GLU 5 HA GLU 5 7.553 -5.280 -6.551
33 HB2 GLU 5 2HB GLU 5 9.629 -5.786 -7.851
34 HB3 GLU 5 1HB GLU 5 10.487 -5.926 -6.319
35 HG2 GLU 5 2HG GLU 5 8.803 -7.676 -5.660
36 HG3 GLU 5 1HG GLU 5 8.234 -7.639 -7.322
37 H GLU 6 H GLU 6 6.615 -4.691 -4.672
38 HA GLU 6 HA GLU 6 7.530 -6.310 -2.516
39 HB2 GLU 6 2HB GLU 6 8.246 -3.665 -2.162
40 HB3 GLU 6 1HB GLU 6 6.533 -3.657 -1.807
41 HG2 GLU 6 2HG GLU 6 6.655 -5.023 0.020
42 HG3 GLU 6 1HG GLU 6 8.282 -5.568 -0.364
43 H VAL 7 H VAL 7 5.767 -6.905 -1.414
44 HA VAL 7 HA VAL 7 3.179 -5.935 -2.259
45 HB VAL 7 HB VAL 7 3.540 -7.656 -3.928
46 HG11 VAL 7 1HG1 VAL 7 4.187 -9.492 -1.644
47 HG12 VAL 7 2HG1 VAL 7 5.279 -8.942 -2.920
48 HG13 VAL 7 3HG1 VAL 7 3.922 -10.004 -3.306
49 HG21 VAL 7 3HG2 VAL 7 1.266 -7.560 -3.051
50 HG22 VAL 7 1HG2 VAL 7 1.691 -8.698 -1.775
51 HG23 VAL 7 2HG2 VAL 7 1.689 -9.224 -3.455
52 H ILE 8 H ILE 8 1.784 -5.916 -0.718
53 HA ILE 8 HA ILE 8 2.475 -7.403 1.698
54 HB ILE 8 HB ILE 8 1.638 -5.582 3.065
55 HG12 ILE 8 2HG1 ILE 8 1.313 -4.111 0.455
56 HG13 ILE 8 1HG1 ILE 8 0.022 -4.641 1.507
57 HG21 ILE 8 1HG2 ILE 8 3.451 -3.946 2.715
58 HG22 ILE 8 2HG2 ILE 8 3.779 -4.674 1.142
59 HG23 ILE 8 3HG2 ILE 8 4.018 -5.614 2.612
60 HD11 ILE 8 3HD1 ILE 8 0.406 -2.249 1.741
61 HD12 ILE 8 1HD1 ILE 8 2.076 -2.556 2.213
62 HD13 ILE 8 2HD1 ILE 8 0.752 -3.103 3.244
63 H LYS 9 H LYS 9 0.640 -7.553 3.111
64 HA LYS 9 HA LYS 9 -1.916 -7.605 1.745
65 HB2 LYS 9 2HB LYS 9 -0.981 -9.883 1.627
66 HB3 LYS 9 1HB LYS 9 -0.820 -9.913 3.376
67 HG2 LYS 9 2HG LYS 9 -3.265 -9.722 3.589
68 HG3 LYS 9 1HG LYS 9 -3.407 -9.733 1.832
69 HD2 LYS 9 2HD LYS 9 -2.220 -11.946 3.506
70 HD3 LYS 9 1HD LYS 9 -3.849 -11.941 2.835
71 HE2 LYS 9 2HE LYS 9 -2.888 -11.832 0.565
72 HE3 LYS 9 1HE LYS 9 -1.270 -11.860 1.260
73 HZ1 LYS 9 3HZ LYS 9 -1.909 -14.039 0.513
74 HZ2 LYS 9 1HZ LYS 9 -3.293 -14.017 1.468
75 HZ3 LYS 9 2HZ LYS 9 -1.770 -14.040 2.188
76 H LEU 10 H LEU 10 -2.094 -5.718 2.919
77 HA LEU 10 HA LEU 10 -2.640 -6.009 5.798
78 HB2 LEU 10 2HB LEU 10 -1.391 -3.777 4.249
79 HB3 LEU 10 1HB LEU 10 -2.374 -3.408 5.630
80 HG LEU 10 HG LEU 10 -0.915 -4.583 7.116
81 HD11 LEU 10 1HD1 LEU 10 1.207 -5.574 6.391
82 HD12 LEU 10 2HD1 LEU 10 0.806 -5.192 4.721
83 HD13 LEU 10 3HD1 LEU 10 -0.149 -6.388 5.600
84 HD21 LEU 10 3HD2 LEU 10 1.052 -3.180 6.959
85 HD22 LEU 10 1HD2 LEU 10 -0.402 -2.269 6.579
86 HD23 LEU 10 2HD2 LEU 10 0.670 -2.801 5.284
87 H CYS 11 H CYS 11 -4.070 -4.103 6.428
88 HA CYS 11 HA CYS 11 -6.275 -3.798 4.531
89 HB2 CYS 11 2HB CYS 11 -6.390 -5.083 7.145
90 HB3 CYS 11 1HB CYS 11 -7.865 -4.793 6.203
91 H GLY 12 H GLY 12 -7.918 -2.378 5.550
92 HA2 GLY 12 2HA GLY 12 -8.575 -0.477 6.685
93 HA3 GLY 12 1HA GLY 12 -8.082 -1.430 8.054
94 H ARG 13 H ARG 13 -7.003 -0.374 9.332
95 HA ARG 13 HA ARG 13 -5.754 2.101 8.714
96 HB2 ARG 13 2HB ARG 13 -5.735 0.499 11.262
97 HB3 ARG 13 1HB ARG 13 -5.042 2.106 11.096
98 HG2 ARG 13 2HG ARG 13 -7.948 1.355 10.778
99 HG3 ARG 13 1HG ARG 13 -7.230 2.233 12.129
100 HD2 ARG 13 2HD ARG 13 -7.412 3.170 9.261
101 HD3 ARG 13 1HD ARG 13 -8.360 3.768 10.618
102 HE ARG 13 HE ARG 13 -5.824 4.153 11.411
103 HH11 ARG 13 1HH1 ARG 13 -7.629 5.157 8.528
104 HH12 ARG 13 2HH1 ARG 13 -6.712 6.581 8.281
105 HH21 ARG 13 1HH2 ARG 13 -4.547 6.106 11.033
106 HH22 ARG 13 2HH2 ARG 13 -4.917 7.118 9.724
107 H GLU 14 H GLU 14 -4.519 -1.191 9.086
108 HA GLU 14 HA GLU 14 -1.759 -0.485 9.349
109 HB2 GLU 14 2HB GLU 14 -3.144 -2.943 8.249
110 HB3 GLU 14 1HB GLU 14 -1.402 -2.795 8.367
111 HG2 GLU 14 2HG GLU 14 -3.286 -2.655 10.696
112 HG3 GLU 14 1HG GLU 14 -2.430 -4.106 10.173
113 H LEU 15 H LEU 15 -3.976 -0.868 6.757
114 HA LEU 15 HA LEU 15 -2.146 -0.925 4.607
115 HB2 LEU 15 2HB LEU 15 -4.722 -1.400 4.814
116 HB3 LEU 15 1HB LEU 15 -4.854 0.296 4.411
117 HG LEU 15 HG LEU 15 -3.559 -0.176 2.327
118 HD11 LEU 15 1HD1 LEU 15 -3.469 -2.573 1.672
119 HD12 LEU 15 2HD1 LEU 15 -3.984 -2.976 3.326
120 HD13 LEU 15 3HD1 LEU 15 -2.438 -2.189 3.053
121 HD21 LEU 15 3HD2 LEU 15 -6.083 -1.742 2.756
122 HD22 LEU 15 1HD2 LEU 15 -5.433 -1.234 1.197
123 HD23 LEU 15 2HD2 LEU 15 -6.001 -0.022 2.354
124 H VAL 16 H VAL 16 -3.962 1.611 6.247
125 HA VAL 16 HA VAL 16 -3.010 3.805 4.673
126 HB VAL 16 HB VAL 16 -4.030 3.853 7.538
127 HG11 VAL 16 1HG1 VAL 16 -3.929 6.040 5.466
128 HG12 VAL 16 2HG1 VAL 16 -2.899 5.905 6.893
129 HG13 VAL 16 3HG1 VAL 16 -4.636 6.161 7.079
130 HG21 VAL 16 3HG2 VAL 16 -5.578 4.146 4.965
131 HG22 VAL 16 1HG2 VAL 16 -6.228 4.391 6.586
132 HG23 VAL 16 2HG2 VAL 16 -5.670 2.793 6.092
133 H ARG 17 H ARG 17 -1.936 2.298 7.654
134 HA ARG 17 HA ARG 17 0.151 4.013 8.350
135 HB2 ARG 17 2HB ARG 17 -0.086 1.029 8.659
136 HB3 ARG 17 1HB ARG 17 1.199 1.933 9.410
137 HG2 ARG 17 2HG ARG 17 -0.535 3.210 10.661
138 HG3 ARG 17 1HG ARG 17 -1.746 2.139 9.954
139 HD2 ARG 17 2HD ARG 17 -1.083 1.382 12.186
140 HD3 ARG 17 1HD ARG 17 -0.646 0.198 10.954
141 HE ARG 17 HE ARG 17 1.426 2.062 11.553
142 HH11 ARG 17 1HH1 ARG 17 0.049 -1.094 12.528
143 HH12 ARG 17 2HH1 ARG 17 1.475 -1.568 13.341
144 HH21 ARG 17 1HH2 ARG 17 3.337 1.325 12.610
145 HH22 ARG 17 2HH2 ARG 17 3.366 -0.186 13.386
146 H ALA 18 H ALA 18 0.092 1.328 6.149
147 HA ALA 18 HA ALA 18 2.867 1.424 5.463
148 HB1 ALA 18 1HB ALA 18 2.285 -0.115 3.649
149 HB2 ALA 18 2HB ALA 18 0.572 0.186 3.936
150 HB3 ALA 18 3HB ALA 18 1.544 -0.621 5.167
151 H GLN 19 H GLN 19 -0.083 2.660 4.024
152 HA GLN 19 HA GLN 19 0.849 3.789 1.688
153 HB2 GLN 19 2HB GLN 19 -1.218 4.629 3.635
154 HB3 GLN 19 1HB GLN 19 -1.021 5.543 2.185
155 HG2 GLN 19 2HG GLN 19 -1.345 3.213 1.063
156 HG3 GLN 19 1HG GLN 19 -2.035 2.783 2.634
157 HE21 GLN 19 1HE2 GLN 19 -2.345 4.595 -0.204
158 HE22 GLN 19 2HE2 GLN 19 -3.941 5.194 0.045
159 H ILE 20 H ILE 20 0.336 5.357 4.821
160 HA ILE 20 HA ILE 20 1.473 7.831 4.287
161 HB ILE 20 HB ILE 20 1.227 6.405 6.957
162 HG12 ILE 20 2HG1 ILE 20 -0.450 8.574 5.673
163 HG13 ILE 20 1HG1 ILE 20 -0.882 6.873 5.763
164 HG21 ILE 20 1HG2 ILE 20 1.514 8.606 8.024
165 HG22 ILE 20 2HG2 ILE 20 1.855 9.325 6.451
166 HG23 ILE 20 3HG2 ILE 20 2.961 8.134 7.133
167 HD11 ILE 20 3HD1 ILE 20 -0.510 8.721 8.108
168 HD12 ILE 20 1HD1 ILE 20 -0.978 7.023 8.185
169 HD13 ILE 20 2HD1 ILE 20 -2.055 8.201 7.432
170 H ALA 21 H ALA 21 3.033 4.873 5.324
171 HA ALA 21 HA ALA 21 5.571 5.991 5.827
172 HB1 ALA 21 1HB ALA 21 6.419 3.699 5.616
173 HB2 ALA 21 2HB ALA 21 4.879 3.201 4.909
174 HB3 ALA 21 3HB ALA 21 4.944 3.745 6.582
175 H ILE 22 H ILE 22 3.982 4.931 2.898
176 HA ILE 22 HA ILE 22 6.282 5.215 1.199
177 HB ILE 22 HB ILE 22 3.357 5.257 0.376
178 HG12 ILE 22 2HG1 ILE 22 5.214 2.874 0.532
179 HG13 ILE 22 1HG1 ILE 22 3.941 3.221 1.696
180 HG21 ILE 22 1HG2 ILE 22 4.898 6.041 -1.348
181 HG22 ILE 22 2HG2 ILE 22 4.232 4.469 -1.792
182 HG23 ILE 22 3HG2 ILE 22 5.873 4.584 -1.160
183 HD11 ILE 22 3HD1 ILE 22 3.565 2.617 -1.227
184 HD12 ILE 22 1HD1 ILE 22 2.287 3.019 -0.082
185 HD13 ILE 22 2HD1 ILE 22 3.221 1.537 0.127
186 H CYS 23 H CYS 23 3.565 7.194 2.206
187 HA CYS 23 HA CYS 23 4.101 9.347 0.401
188 HB2 CYS 23 2HB CYS 23 2.327 8.987 2.770
189 HB3 CYS 23 1HB CYS 23 2.643 10.609 2.179
190 H GLY 24 H GLY 24 5.186 8.502 3.515
191 HA2 GLY 24 2HA GLY 24 6.460 10.991 4.097
192 HA3 GLY 24 1HA GLY 24 6.764 9.457 4.908
193 H MET 25 H MET 25 7.237 8.315 2.101
194 HA MET 25 HA MET 25 10.005 9.284 1.843
195 HB2 MET 25 2HB MET 25 8.954 6.472 1.534
196 HB3 MET 25 1HB MET 25 10.599 6.957 1.142
197 HG2 MET 25 2HG MET 25 9.296 7.059 3.846
198 HG3 MET 25 1HG MET 25 10.490 5.875 3.312
199 HE1 MET 25 3HE MET 25 12.418 8.056 5.958
200 HE2 MET 25 1HE MET 25 11.912 6.428 5.509
201 HE3 MET 25 2HE MET 25 10.708 7.623 5.995
202 H SER 26 H SER 26 7.720 10.216 0.439
203 HA SER 26 HA SER 26 7.756 9.056 -2.217
204 HB2 SER 26 2HB SER 26 6.381 11.521 -1.147
205 HB3 SER 26 1HB SER 26 6.146 10.849 -2.763
206 HG SER 26 HG SER 26 5.871 8.971 -0.805
207 H THR 27 H THR 27 10.280 10.037 -1.384
208 HA THR 27 HA THR 27 10.773 12.534 -2.716
209 HB THR 27 HB THR 27 12.810 10.533 -1.754
210 HG1 THR 27 1HG THR 27 11.274 12.436 -0.315
211 HG21 THR 27 3HG2 THR 27 12.817 13.551 -1.931
212 HG22 THR 27 1HG2 THR 27 13.692 12.454 -2.997
213 HG23 THR 27 2HG2 THR 27 14.134 12.570 -1.289
214 H TRP 28 H TRP 28 10.590 9.384 -3.449
215 HA TRP 28 HA TRP 28 11.368 9.830 -6.207
216 HB2 TRP 28 2HB TRP 28 12.615 7.693 -6.381
217 HB3 TRP 28 1HB TRP 28 13.392 8.789 -5.252
218 HD1 TRP 28 HD TRP 28 11.667 5.392 -5.446
219 HE1 TRP 28 1HE TRP 28 11.986 4.167 -3.206
220 HE3 TRP 28 3HE TRP 28 13.713 9.170 -2.713
221 HZ2 TRP 28 2HZ TRP 28 12.942 4.713 -0.641
222 HZ3 TRP 28 3HZ TRP 28 14.300 8.738 -0.357
223 HH2 TRP 28 HH TRP 28 13.922 6.544 0.650
224 H SER 29 H SER 29 10.193 8.613 -7.673
225 HA SER 29 HA SER 29 7.870 7.339 -6.531
226 HB2 SER 29 2HB SER 29 7.155 7.505 -9.016
227 HB3 SER 29 1HB SER 29 7.248 8.988 -8.064
228 HG SER 29 HG SER 29 9.074 7.969 -9.951
229 HN1 NH2 30 HT1 SER 29 8.590 5.349 -5.991
230 HN2 NH2 30 HT2 SER 29 9.211 4.179 -7.105
231 HA PCA 1 HA PCA 1 -14.322 4.890 -5.449
232 HB2 PCA 1 2HB PCA 1 -13.618 4.269 -2.728
233 HB3 PCA 1 1HB PCA 1 -14.677 5.588 -3.301
234 HG2 PCA 1 2HG PCA 1 -15.490 3.266 -1.873
235 HG3 PCA 1 1HG PCA 1 -16.576 4.412 -2.732
236 H LEU 2 H LEU 2 -12.156 4.979 -5.832
237 HA LEU 2 HA LEU 2 -10.717 2.494 -6.229
238 HB2 LEU 2 2HB LEU 2 -9.679 5.314 -6.338
239 HB3 LEU 2 1HB LEU 2 -8.854 3.879 -6.906
240 HG LEU 2 HG LEU 2 -11.325 5.115 -8.104
241 HD11 LEU 2 1HD1 LEU 2 -9.874 5.544 -10.015
242 HD12 LEU 2 2HD1 LEU 2 -8.510 4.863 -9.131
243 HD13 LEU 2 3HD1 LEU 2 -9.277 6.341 -8.559
244 HD21 LEU 2 3HD2 LEU 2 -11.078 3.404 -9.857
245 HD22 LEU 2 1HD2 LEU 2 -11.436 2.697 -8.282
246 HD23 LEU 2 2HD2 LEU 2 -9.793 2.647 -8.917
247 H TYR 3 H TYR 3 -10.594 4.755 -3.659
248 HA TYR 3 HA TYR 3 -8.333 3.354 -2.726
249 HB2 TYR 3 2HB TYR 3 -8.640 5.650 -1.966
250 HB3 TYR 3 1HB TYR 3 -10.143 5.191 -1.142
251 HD1 TYR 3 1HD TYR 3 -6.687 3.982 -1.447
252 HD2 TYR 3 2HD TYR 3 -9.977 4.741 1.104
253 HE1 TYR 3 1HE TYR 3 -5.445 3.086 0.330
254 HE2 TYR 3 2HE TYR 3 -8.727 3.853 2.990
255 HH TYR 3 HH TYR 3 -5.396 3.276 2.813
256 H SER 4 H SER 4 -11.755 3.106 -2.195
257 HA SER 4 HA SER 4 -11.643 1.264 -0.080
258 HB2 SER 4 2HB SER 4 -13.675 2.579 -0.770
259 HB3 SER 4 1HB SER 4 -13.816 1.540 -2.182
260 HG SER 4 HG SER 4 -13.656 0.337 0.320
261 H ALA 5 H ALA 5 -11.694 0.944 -3.580
262 HA ALA 5 HA ALA 5 -11.804 -1.829 -3.808
263 HB1 ALA 5 1HB ALA 5 -12.123 -0.282 -5.688
264 HB2 ALA 5 2HB ALA 5 -10.888 -1.487 -6.054
265 HB3 ALA 5 3HB ALA 5 -10.417 0.152 -5.614
266 H LEU 6 H LEU 6 -9.024 0.345 -3.464
267 HA LEU 6 HA LEU 6 -6.992 -1.580 -3.643
268 HB2 LEU 6 2HB LEU 6 -6.584 0.875 -3.680
269 HB3 LEU 6 1HB LEU 6 -7.022 0.964 -1.988
270 HG LEU 6 HG LEU 6 -5.068 -0.513 -1.464
271 HD11 LEU 6 1HD1 LEU 6 -3.322 -0.760 -3.145
272 HD12 LEU 6 2HD1 LEU 6 -4.398 -0.059 -4.355
273 HD13 LEU 6 3HD1 LEU 6 -4.808 -1.595 -3.588
274 HD21 LEU 6 3HD2 LEU 6 -3.357 1.233 -1.742
275 HD22 LEU 6 1HD2 LEU 6 -4.891 1.908 -1.198
276 HD23 LEU 6 2HD2 LEU 6 -4.403 2.071 -2.885
277 H ALA 7 H ALA 7 -8.789 -0.326 -0.886
278 HA ALA 7 HA ALA 7 -7.523 -1.724 1.157
279 HB1 ALA 7 1HB ALA 7 -10.418 -0.906 1.041
280 HB2 ALA 7 2HB ALA 7 -9.078 0.128 1.534
281 HB3 ALA 7 3HB ALA 7 -9.500 -1.287 2.499
282 H ASN 8 H ASN 8 -10.343 -2.649 -0.756
283 HA ASN 8 HA ASN 8 -10.739 -5.168 0.481
284 HB2 ASN 8 2HB ASN 8 -11.433 -4.301 -2.340
285 HB3 ASN 8 1HB ASN 8 -11.886 -5.849 -1.656
286 HD21 ASN 8 1HD2 ASN 8 -13.525 -5.907 -0.073
287 HD22 ASN 8 2HD2 ASN 8 -14.560 -4.540 0.149
288 H LYS 9 H LYS 9 -8.952 -4.196 -2.373
289 HA LYS 9 HA LYS 9 -8.258 -6.757 -3.270
290 HB2 LYS 9 2HB LYS 9 -8.162 -4.543 -4.524
291 HB3 LYS 9 1HB LYS 9 -6.668 -4.234 -3.671
292 HG2 LYS 9 2HG LYS 9 -6.182 -5.025 -5.874
293 HG3 LYS 9 1HG LYS 9 -5.698 -6.253 -4.698
294 HD2 LYS 9 2HD LYS 9 -7.648 -7.553 -5.183
295 HD3 LYS 9 1HD LYS 9 -8.312 -6.272 -6.200
296 HE2 LYS 9 2HE LYS 9 -5.771 -7.807 -6.731
297 HE3 LYS 9 1HE LYS 9 -7.325 -8.106 -7.511
298 HZ1 LYS 9 3HZ LYS 9 -5.931 -6.783 -8.922
299 HZ2 LYS 9 1HZ LYS 9 -5.711 -5.611 -7.736
300 HZ3 LYS 9 2HZ LYS 9 -7.228 -5.848 -8.415
301 H CYS 10 H CYS 10 -6.292 -4.476 -1.369
302 HA CYS 10 HA CYS 10 -4.101 -6.255 -1.062
303 HB2 CYS 10 2HB CYS 10 -4.955 -4.056 0.819
304 HB3 CYS 10 1HB CYS 10 -3.346 -4.744 0.655
305 H CYS 11 H CYS 11 -7.111 -5.878 0.692
306 HA CYS 11 HA CYS 11 -6.143 -7.374 2.915
307 HB2 CYS 11 2HB CYS 11 -7.974 -5.562 2.885
308 HB3 CYS 11 1HB CYS 11 -9.029 -6.850 2.326
309 H HIS 12 H HIS 12 -7.908 -8.095 -0.051
310 HA HIS 12 HA HIS 12 -8.583 -10.759 0.882
311 HB2 HIS 12 2HB HIS 12 -9.061 -9.296 -1.684
312 HB3 HIS 12 1HB HIS 12 -9.333 -11.024 -1.574
313 HD1 HIS 12 1HD HIS 12 -11.755 -11.595 -0.939
314 HD2 HIS 12 2HD HIS 12 -10.581 -7.837 0.383
315 HE1 HIS 12 1HE HIS 12 -13.806 -10.534 0.033
316 H VAL 13 H VAL 13 -6.549 -9.390 -1.624
317 HA VAL 13 HA VAL 13 -5.188 -11.987 -1.734
318 HB VAL 13 HB VAL 13 -4.527 -11.370 -4.078
319 HG11 VAL 13 1HG1 VAL 13 -6.310 -13.021 -3.611
320 HG12 VAL 13 2HG1 VAL 13 -6.752 -12.064 -5.031
321 HG13 VAL 13 3HG1 VAL 13 -7.481 -11.710 -3.464
322 HG21 VAL 13 3HG2 VAL 13 -5.014 -9.003 -4.064
323 HG22 VAL 13 1HG2 VAL 13 -6.720 -9.326 -3.752
324 HG23 VAL 13 2HG2 VAL 13 -6.004 -9.792 -5.293
325 H GLY 14 H GLY 14 -4.714 -8.577 -2.140
326 HA2 GLY 14 2HA GLY 14 -2.889 -7.718 -0.621
327 HA3 GLY 14 1HA GLY 14 -1.874 -8.893 -1.391
328 H CYS 15 H CYS 15 -0.959 -6.473 -1.630
329 HA CYS 15 HA CYS 15 -1.382 -5.871 -4.427
330 HB2 CYS 15 2HB CYS 15 -1.689 -3.463 -3.925
331 HB3 CYS 15 1HB CYS 15 -3.044 -4.474 -3.448
332 H THR 16 H THR 16 0.236 -4.349 -5.199
333 HA THR 16 HA THR 16 2.694 -4.835 -3.871
334 HB THR 16 HB THR 16 3.649 -3.530 -5.806
335 HG1 THR 16 1HG THR 16 1.376 -3.862 -7.314
336 HG21 THR 16 3HG2 THR 16 1.951 -5.938 -6.481
337 HG22 THR 16 1HG2 THR 16 3.585 -5.981 -5.819
338 HG23 THR 16 2HG2 THR 16 3.306 -5.341 -7.439
339 H LYS 17 H LYS 17 4.089 -3.173 -3.429
340 HA LYS 17 HA LYS 17 2.930 -1.089 -1.839
341 HB2 LYS 17 2HB LYS 17 5.224 -2.372 -1.854
342 HB3 LYS 17 1HB LYS 17 5.818 -0.987 -2.732
343 HG2 LYS 17 2HG LYS 17 6.296 -0.793 -0.458
344 HG3 LYS 17 1HG LYS 17 5.040 0.419 -0.809
345 HD2 LYS 17 2HD LYS 17 3.360 -1.081 0.155
346 HD3 LYS 17 1HD LYS 17 4.586 -2.327 0.391
347 HE2 LYS 17 2HE LYS 17 4.487 0.373 1.732
348 HE3 LYS 17 1HE LYS 17 4.101 -1.180 2.473
349 HZ1 LYS 17 3HZ LYS 17 6.324 -0.725 3.109
350 HZ2 LYS 17 1HZ LYS 17 6.749 -0.219 1.558
351 HZ3 LYS 17 2HZ LYS 17 6.471 -1.822 1.838
352 H ARG 18 H ARG 18 4.152 -1.227 -5.146
353 HA ARG 18 HA ARG 18 3.924 1.486 -5.864
354 HB2 ARG 18 2HB ARG 18 3.638 -1.058 -7.399
355 HB3 ARG 18 1HB ARG 18 3.134 0.437 -8.156
356 HG2 ARG 18 2HG ARG 18 5.391 1.331 -7.822
357 HG3 ARG 18 1HG ARG 18 5.868 -0.214 -7.110
358 HD2 ARG 18 2HD ARG 18 4.756 0.120 -9.898
359 HD3 ARG 18 1HD ARG 18 6.472 0.025 -9.520
360 HE ARG 18 HE ARG 18 5.697 -2.245 -8.463
361 HH11 ARG 18 1HH1 ARG 18 4.566 -0.874 -11.540
362 HH12 ARG 18 2HH1 ARG 18 4.398 -2.387 -12.290
363 HH21 ARG 18 1HH2 ARG 18 5.503 -4.309 -9.537
364 HH22 ARG 18 2HH2 ARG 18 4.941 -4.357 -11.144
365 H SER 19 H SER 19 1.532 -0.942 -5.331
366 HA SER 19 HA SER 19 -0.576 0.309 -6.723
367 HB2 SER 19 2HB SER 19 -0.459 -2.116 -6.301
368 HB3 SER 19 1HB SER 19 -0.609 -1.840 -4.576
369 HG SER 19 HG SER 19 -2.503 -1.030 -6.509
370 H LEU 20 H LEU 20 0.485 0.189 -3.338
371 HA LEU 20 HA LEU 20 -1.548 2.202 -2.623
372 HB2 LEU 20 2HB LEU 20 0.812 1.808 -0.746
373 HB3 LEU 20 1HB LEU 20 -0.781 2.311 -0.513
374 HG LEU 20 HG LEU 20 -1.642 0.032 -0.864
375 HD11 LEU 20 1HD1 LEU 20 1.257 -0.699 -0.655
376 HD12 LEU 20 2HD1 LEU 20 0.208 -0.954 -2.057
377 HD13 LEU 20 3HD1 LEU 20 -0.093 -1.828 -0.556
378 HD21 LEU 20 3HD2 LEU 20 0.325 0.391 1.358
379 HD22 LEU 20 1HD2 LEU 20 -1.041 -0.718 1.360
380 HD23 LEU 20 2HD2 LEU 20 -1.330 1.027 1.353
381 H ALA 21 H ALA 21 1.672 2.194 -3.562
382 HA ALA 21 HA ALA 21 2.366 4.835 -2.872
383 HB1 ALA 21 1HB ALA 21 4.175 4.725 -4.446
384 HB2 ALA 21 2HB ALA 21 3.387 3.416 -5.316
385 HB3 ALA 21 3HB ALA 21 3.996 3.141 -3.681
386 H ARG 22 H ARG 22 0.588 3.717 -5.642
387 HA ARG 22 HA ARG 22 0.675 6.255 -6.951
388 HB2 ARG 22 2HB ARG 22 -1.003 5.312 -8.509
389 HB3 ARG 22 1HB ARG 22 0.405 4.287 -8.316
390 HG2 ARG 22 2HG ARG 22 -0.964 2.957 -6.656
391 HG3 ARG 22 1HG ARG 22 -2.360 3.874 -7.229
392 HD2 ARG 22 2HD ARG 22 -2.157 1.741 -8.407
393 HD3 ARG 22 1HD ARG 22 -1.935 3.103 -9.507
394 HE ARG 22 HE ARG 22 0.547 2.261 -8.468
395 HH11 ARG 22 1HH1 ARG 22 -1.888 1.182 -10.828
396 HH12 ARG 22 2HH1 ARG 22 -0.767 0.415 -11.838
397 HH21 ARG 22 1HH2 ARG 22 2.078 1.239 -9.894
398 HH22 ARG 22 2HH2 ARG 22 1.524 0.425 -11.293
399 H PHE 23 H PHE 23 -1.179 5.010 -4.435
400 HA PHE 23 HA PHE 23 -3.176 7.142 -4.678
401 HB2 PHE 23 2HB PHE 23 -2.992 4.764 -2.805
402 HB3 PHE 23 1HB PHE 23 -4.200 6.029 -2.642
403 HD1 PHE 23 2HD PHE 23 -3.026 3.271 -4.784
404 HD2 PHE 23 1HD PHE 23 -6.116 6.069 -4.001
405 HE1 PHE 23 2HE PHE 23 -4.501 2.062 -6.335
406 HE2 PHE 23 1HE PHE 23 -7.597 4.878 -5.540
407 HZ PHE 23 HZ PHE 23 -6.795 2.864 -6.718
408 H CYS 24 H CYS 24 -1.033 5.740 -2.374
409 HA CYS 24 HA CYS 24 0.002 8.293 -1.544
410 HB2 CYS 24 2HB CYS 24 -1.932 8.151 -0.051
411 HB3 CYS 24 1HB CYS 24 -1.483 6.518 0.420
412 HN1 NH2 25 HT1 CYS 24 2.005 7.698 -2.060
413 HN2 NH2 25 HT2 CYS 24 2.809 6.281 -1.485
Start of MODEL 16
1 H1 ASP 1 1HT ASP 1 9.124 -2.686 1.317
2 H2 ASP 1 2HT ASP 1 8.941 -1.016 1.152
3 H3 ASP 1 3HT ASP 1 9.021 -1.727 2.702
4 HA ASP 1 HA ASP 1 11.044 -0.612 2.090
5 HB2 ASP 1 2HB ASP 1 11.138 -3.605 2.408
6 HB3 ASP 1 1HB ASP 1 12.559 -2.570 2.564
7 H SER 2 H SER 2 10.233 -3.279 -0.054
8 HA SER 2 HA SER 2 12.158 -2.268 -1.972
9 HB2 SER 2 2HB SER 2 9.994 -4.199 -2.502
10 HB3 SER 2 1HB SER 2 11.583 -4.150 -3.225
11 HG SER 2 HG SER 2 12.059 -4.482 -0.688
12 H TRP 3 H TRP 3 11.511 -0.751 -3.235
13 HA TRP 3 HA TRP 3 8.738 0.099 -3.034
14 HB2 TRP 3 2HB TRP 3 11.078 1.718 -4.016
15 HB3 TRP 3 1HB TRP 3 9.438 2.314 -3.754
16 HD1 TRP 3 HD TRP 3 12.623 2.235 -2.068
17 HE1 TRP 3 1HE TRP 3 12.391 2.547 0.479
18 HE3 TRP 3 3HE TRP 3 7.612 1.369 -1.575
19 HZ2 TRP 3 2HZ TRP 3 10.389 2.433 2.426
20 HZ3 TRP 3 3HZ TRP 3 6.632 1.463 0.673
21 HH2 TRP 3 HH TRP 3 7.985 1.990 2.629
22 H MET 4 H MET 4 10.911 -1.083 -5.408
23 HA MET 4 HA MET 4 9.182 -0.250 -7.567
24 HB2 MET 4 2HB MET 4 11.580 -2.096 -7.602
25 HB3 MET 4 1HB MET 4 10.667 -1.630 -9.022
26 HG2 MET 4 2HG MET 4 11.267 0.706 -8.653
27 HG3 MET 4 1HG MET 4 12.181 0.243 -7.223
28 HE1 MET 4 3HE MET 4 13.619 -2.465 -8.120
29 HE2 MET 4 1HE MET 4 14.431 -1.147 -7.273
30 HE3 MET 4 2HE MET 4 15.138 -1.821 -8.739
31 H GLU 5 H GLU 5 9.979 -3.286 -5.945
32 HA GLU 5 HA GLU 5 7.375 -4.227 -6.834
33 HB2 GLU 5 2HB GLU 5 8.999 -5.220 -8.356
34 HB3 GLU 5 1HB GLU 5 9.922 -5.843 -6.999
35 HG2 GLU 5 2HG GLU 5 8.069 -7.282 -6.377
36 HG3 GLU 5 1HG GLU 5 7.103 -6.625 -7.695
37 H GLU 6 H GLU 6 6.260 -4.392 -5.001
38 HA GLU 6 HA GLU 6 7.116 -6.322 -3.067
39 HB2 GLU 6 2HB GLU 6 7.894 -3.808 -2.305
40 HB3 GLU 6 1HB GLU 6 6.184 -3.773 -1.981
41 HG2 GLU 6 2HG GLU 6 6.205 -5.458 -0.398
42 HG3 GLU 6 1HG GLU 6 7.853 -5.930 -0.794
43 H VAL 7 H VAL 7 5.392 -7.002 -1.875
44 HA VAL 7 HA VAL 7 2.747 -5.991 -2.460
45 HB VAL 7 HB VAL 7 3.173 -7.668 -4.258
46 HG11 VAL 7 1HG1 VAL 7 3.580 -9.636 -2.031
47 HG12 VAL 7 2HG1 VAL 7 4.764 -9.107 -3.231
48 HG13 VAL 7 3HG1 VAL 7 3.365 -10.056 -3.729
49 HG21 VAL 7 3HG2 VAL 7 1.152 -8.615 -2.233
50 HG22 VAL 7 1HG2 VAL 7 1.199 -9.091 -3.931
51 HG23 VAL 7 2HG2 VAL 7 0.888 -7.410 -3.492
52 H ILE 8 H ILE 8 1.341 -6.367 -0.788
53 HA ILE 8 HA ILE 8 2.197 -8.075 1.410
54 HB ILE 8 HB ILE 8 1.830 -6.432 3.137
55 HG12 ILE 8 2HG1 ILE 8 0.079 -5.032 2.082
56 HG13 ILE 8 1HG1 ILE 8 1.356 -4.051 2.777
57 HG21 ILE 8 1HG2 ILE 8 3.680 -4.860 2.839
58 HG22 ILE 8 2HG2 ILE 8 3.755 -5.310 1.137
59 HG23 ILE 8 3HG2 ILE 8 4.085 -6.515 2.380
60 HD11 ILE 8 3HD1 ILE 8 0.926 -4.660 -0.136
61 HD12 ILE 8 1HD1 ILE 8 2.276 -3.734 0.523
62 HD13 ILE 8 2HD1 ILE 8 0.628 -3.131 0.694
63 H LYS 9 H LYS 9 0.343 -8.168 3.067
64 HA LYS 9 HA LYS 9 -2.225 -7.818 1.715
65 HB2 LYS 9 2HB LYS 9 -1.568 -10.217 1.707
66 HB3 LYS 9 1HB LYS 9 -1.384 -10.164 3.450
67 HG2 LYS 9 2HG LYS 9 -3.789 -9.695 3.673
68 HG3 LYS 9 1HG LYS 9 -3.958 -9.800 1.919
69 HD2 LYS 9 2HD LYS 9 -3.178 -12.121 1.986
70 HD3 LYS 9 1HD LYS 9 -2.991 -12.010 3.734
71 HE2 LYS 9 2HE LYS 9 -5.581 -11.720 2.210
72 HE3 LYS 9 1HE LYS 9 -5.087 -13.145 3.113
73 HZ1 LYS 9 3HZ LYS 9 -6.583 -11.833 4.452
74 HZ2 LYS 9 1HZ LYS 9 -5.663 -10.453 4.216
75 HZ3 LYS 9 2HZ LYS 9 -5.056 -11.709 5.130
76 H LEU 10 H LEU 10 -2.531 -5.898 2.800
77 HA LEU 10 HA LEU 10 -2.828 -6.073 5.731
78 HB2 LEU 10 2HB LEU 10 -1.698 -3.881 4.043
79 HB3 LEU 10 1HB LEU 10 -2.527 -3.491 5.508
80 HG LEU 10 HG LEU 10 -0.944 -4.607 6.863
81 HD11 LEU 10 1HD1 LEU 10 1.092 -5.679 5.944
82 HD12 LEU 10 2HD1 LEU 10 0.442 -5.455 4.317
83 HD13 LEU 10 3HD1 LEU 10 -0.378 -6.524 5.454
84 HD21 LEU 10 3HD2 LEU 10 -0.383 -2.348 6.170
85 HD22 LEU 10 1HD2 LEU 10 0.482 -2.982 4.775
86 HD23 LEU 10 2HD2 LEU 10 1.078 -3.309 6.402
87 H CYS 11 H CYS 11 -4.186 -4.219 6.495
88 HA CYS 11 HA CYS 11 -6.427 -3.580 4.725
89 HB2 CYS 11 2HB CYS 11 -6.977 -4.870 7.382
90 HB3 CYS 11 1HB CYS 11 -8.107 -4.487 6.096
91 H GLY 12 H GLY 12 -7.810 -1.950 5.678
92 HA2 GLY 12 2HA GLY 12 -8.275 -0.014 6.839
93 HA3 GLY 12 1HA GLY 12 -7.942 -1.029 8.212
94 H ARG 13 H ARG 13 -6.761 -0.172 9.526
95 HA ARG 13 HA ARG 13 -5.306 2.199 9.321
96 HB2 ARG 13 2HB ARG 13 -6.189 1.189 11.419
97 HB3 ARG 13 1HB ARG 13 -4.906 -0.006 11.339
98 HG2 ARG 13 2HG ARG 13 -3.254 1.782 11.534
99 HG3 ARG 13 1HG ARG 13 -4.562 2.963 11.637
100 HD2 ARG 13 2HD ARG 13 -5.412 1.683 13.631
101 HD3 ARG 13 1HD ARG 13 -3.910 0.758 13.582
102 HE ARG 13 HE ARG 13 -3.396 3.511 13.519
103 HH11 ARG 13 1HH1 ARG 13 -4.197 0.924 15.818
104 HH12 ARG 13 2HH1 ARG 13 -3.660 1.794 17.168
105 HH21 ARG 13 1HH2 ARG 13 -2.702 4.697 15.370
106 HH22 ARG 13 2HH2 ARG 13 -2.803 4.005 16.917
107 H GLU 14 H GLU 14 -4.274 -1.154 8.917
108 HA GLU 14 HA GLU 14 -1.500 -0.578 8.992
109 HB2 GLU 14 2HB GLU 14 -3.010 -2.888 7.794
110 HB3 GLU 14 1HB GLU 14 -1.265 -2.809 7.962
111 HG2 GLU 14 2HG GLU 14 -3.301 -2.839 10.172
112 HG3 GLU 14 1HG GLU 14 -2.202 -4.144 9.735
113 H LEU 15 H LEU 15 -3.907 -0.739 6.490
114 HA LEU 15 HA LEU 15 -2.213 -0.439 4.229
115 HB2 LEU 15 2HB LEU 15 -5.020 0.580 4.635
116 HB3 LEU 15 1HB LEU 15 -4.183 0.567 3.100
117 HG LEU 15 HG LEU 15 -4.864 -1.895 4.686
118 HD11 LEU 15 1HD1 LEU 15 -6.230 -0.648 2.307
119 HD12 LEU 15 2HD1 LEU 15 -6.874 -0.787 3.952
120 HD13 LEU 15 3HD1 LEU 15 -6.591 -2.235 2.996
121 HD21 LEU 15 3HD2 LEU 15 -4.343 -3.061 2.683
122 HD22 LEU 15 1HD2 LEU 15 -2.941 -2.132 3.195
123 HD23 LEU 15 2HD2 LEU 15 -3.933 -1.559 1.841
124 H VAL 16 H VAL 16 -3.763 1.886 6.354
125 HA VAL 16 HA VAL 16 -2.862 4.227 4.991
126 HB VAL 16 HB VAL 16 -3.592 3.916 7.931
127 HG11 VAL 16 1HG1 VAL 16 -4.094 6.305 7.876
128 HG12 VAL 16 2HG1 VAL 16 -3.536 6.389 6.203
129 HG13 VAL 16 3HG1 VAL 16 -2.401 5.992 7.496
130 HG21 VAL 16 3HG2 VAL 16 -5.831 4.693 7.294
131 HG22 VAL 16 1HG2 VAL 16 -5.417 3.167 6.512
132 HG23 VAL 16 2HG2 VAL 16 -5.347 4.674 5.599
133 H ARG 17 H ARG 17 -1.636 2.398 7.721
134 HA ARG 17 HA ARG 17 0.644 3.892 8.249
135 HB2 ARG 17 2HB ARG 17 0.007 0.993 8.608
136 HB3 ARG 17 1HB ARG 17 1.596 1.602 9.027
137 HG2 ARG 17 2HG ARG 17 0.571 3.178 10.594
138 HG3 ARG 17 1HG ARG 17 -1.020 2.557 10.157
139 HD2 ARG 17 2HD ARG 17 -0.582 0.457 11.119
140 HD3 ARG 17 1HD ARG 17 1.153 0.775 11.206
141 HE ARG 17 HE ARG 17 0.280 2.687 12.728
142 HH11 ARG 17 1HH1 ARG 17 -0.970 -0.670 12.745
143 HH12 ARG 17 2HH1 ARG 17 -1.127 -0.705 14.442
144 HH21 ARG 17 1HH2 ARG 17 0.011 2.578 15.034
145 HH22 ARG 17 2HH2 ARG 17 -0.576 1.145 15.752
146 H ALA 18 H ALA 18 0.198 1.301 5.985
147 HA ALA 18 HA ALA 18 2.860 1.245 5.037
148 HB1 ALA 18 1HB ALA 18 1.323 -0.627 4.687
149 HB2 ALA 18 2HB ALA 18 1.977 -0.056 3.150
150 HB3 ALA 18 3HB ALA 18 0.336 0.378 3.628
151 H GLN 19 H GLN 19 -0.045 2.821 3.841
152 HA GLN 19 HA GLN 19 0.927 4.075 1.574
153 HB2 GLN 19 2HB GLN 19 -1.227 4.590 3.541
154 HB3 GLN 19 1HB GLN 19 -1.005 5.793 2.307
155 HG2 GLN 19 2HG GLN 19 -1.379 4.089 0.597
156 HG3 GLN 19 1HG GLN 19 -1.440 2.835 1.836
157 HE21 GLN 19 1HE2 GLN 19 -3.354 3.452 -0.174
158 HE22 GLN 19 2HE2 GLN 19 -4.833 3.856 0.611
159 H ILE 20 H ILE 20 0.564 5.457 4.812
160 HA ILE 20 HA ILE 20 1.904 7.881 4.367
161 HB ILE 20 HB ILE 20 1.581 6.345 6.967
162 HG12 ILE 20 2HG1 ILE 20 -0.557 6.937 5.954
163 HG13 ILE 20 1HG1 ILE 20 -0.291 7.886 7.407
164 HG21 ILE 20 1HG2 ILE 20 2.369 9.234 6.607
165 HG22 ILE 20 2HG2 ILE 20 3.395 7.940 7.223
166 HG23 ILE 20 3HG2 ILE 20 1.986 8.461 8.145
167 HD11 ILE 20 3HD1 ILE 20 0.032 8.841 4.563
168 HD12 ILE 20 1HD1 ILE 20 0.358 9.802 6.008
169 HD13 ILE 20 2HD1 ILE 20 -1.278 9.242 5.671
170 H ALA 21 H ALA 21 3.184 4.720 5.255
171 HA ALA 21 HA ALA 21 5.823 5.510 5.844
172 HB1 ALA 21 1HB ALA 21 6.428 3.167 5.386
173 HB2 ALA 21 2HB ALA 21 4.831 2.909 4.677
174 HB3 ALA 21 3HB ALA 21 4.983 3.282 6.392
175 H ILE 22 H ILE 22 4.204 4.729 2.846
176 HA ILE 22 HA ILE 22 6.520 4.817 1.192
177 HB ILE 22 HB ILE 22 3.628 5.263 0.380
178 HG12 ILE 22 2HG1 ILE 22 5.238 2.723 0.279
179 HG13 ILE 22 1HG1 ILE 22 4.097 3.095 1.570
180 HG21 ILE 22 1HG2 ILE 22 6.054 4.425 -1.218
181 HG22 ILE 22 2HG2 ILE 22 5.272 6.003 -1.281
182 HG23 ILE 22 3HG2 ILE 22 4.409 4.569 -1.839
183 HD11 ILE 22 3HD1 ILE 22 2.308 3.183 -0.099
184 HD12 ILE 22 1HD1 ILE 22 3.108 1.611 -0.049
185 HD13 ILE 22 2HD1 ILE 22 3.475 2.746 -1.347
186 H CYS 23 H CYS 23 4.089 7.166 2.162
187 HA CYS 23 HA CYS 23 5.151 9.204 0.469
188 HB2 CYS 23 2HB CYS 23 3.143 9.137 2.638
189 HB3 CYS 23 1HB CYS 23 3.809 10.688 2.137
190 H GLY 24 H GLY 24 5.881 8.174 3.612
191 HA2 GLY 24 2HA GLY 24 7.548 10.455 4.214
192 HA3 GLY 24 1HA GLY 24 7.487 8.955 5.133
193 H MET 25 H MET 25 8.031 7.205 2.924
194 HA MET 25 HA MET 25 10.812 7.848 2.356
195 HB2 MET 25 2HB MET 25 9.707 5.174 3.268
196 HB3 MET 25 1HB MET 25 11.345 5.448 2.702
197 HG2 MET 25 2HG MET 25 11.792 6.885 4.594
198 HG3 MET 25 1HG MET 25 10.122 6.731 5.133
199 HE1 MET 25 3HE MET 25 13.176 3.267 5.141
200 HE2 MET 25 1HE MET 25 13.519 4.882 4.533
201 HE3 MET 25 2HE MET 25 12.406 3.827 3.658
202 H SER 26 H SER 26 9.645 8.564 0.471
203 HA SER 26 HA SER 26 8.567 6.621 -1.357
204 HB2 SER 26 2HB SER 26 9.421 9.455 -1.944
205 HB3 SER 26 1HB SER 26 8.262 8.480 -2.848
206 HG SER 26 HG SER 26 7.237 8.397 -0.585
207 H THR 27 H THR 27 11.519 6.775 -0.407
208 HA THR 27 HA THR 27 12.697 6.223 -2.950
209 HB THR 27 HB THR 27 14.747 7.492 -2.150
210 HG1 THR 27 1HG THR 27 14.380 8.032 -0.108
211 HG21 THR 27 3HG2 THR 27 13.948 9.667 -3.005
212 HG22 THR 27 1HG2 THR 27 12.283 9.111 -2.834
213 HG23 THR 27 2HG2 THR 27 13.358 8.329 -3.992
214 H TRP 28 H TRP 28 14.173 4.727 -2.783
215 HA TRP 28 HA TRP 28 14.053 2.933 -0.597
216 HB2 TRP 28 2HB TRP 28 14.484 2.309 -3.023
217 HB3 TRP 28 1HB TRP 28 16.130 2.878 -2.784
218 HD1 TRP 28 HD TRP 28 13.748 0.121 -1.662
219 HE1 TRP 28 1HE TRP 28 15.136 -1.835 -0.705
220 HE3 TRP 28 3HE TRP 28 18.358 2.282 -1.767
221 HZ2 TRP 28 2HZ TRP 28 17.827 -2.377 -0.094
222 HZ3 TRP 28 3HZ TRP 28 20.282 0.993 -0.985
223 HH2 TRP 28 HH TRP 28 20.028 -1.295 -0.162
224 H SER 29 H SER 29 15.099 2.976 1.227
225 HA SER 29 HA SER 29 17.495 4.618 1.450
226 HB2 SER 29 2HB SER 29 15.687 3.523 3.614
227 HB3 SER 29 1HB SER 29 17.016 4.665 3.838
228 HG SER 29 HG SER 29 15.305 5.495 1.917
229 HN1 NH2 30 HT1 SER 29 16.413 1.757 3.270
230 HN2 NH2 30 HT2 SER 29 17.876 0.869 3.071
231 HA PCA 1 HA PCA 1 -14.042 3.959 -6.648
232 HB2 PCA 1 2HB PCA 1 -12.616 4.842 -4.314
233 HB3 PCA 1 1HB PCA 1 -13.798 5.769 -5.280
234 HG2 PCA 1 2HG PCA 1 -14.131 4.575 -2.654
235 HG3 PCA 1 1HG PCA 1 -15.318 5.549 -3.587
236 H LEU 2 H LEU 2 -11.612 4.222 -6.773
237 HA LEU 2 HA LEU 2 -10.419 1.673 -6.808
238 HB2 LEU 2 2HB LEU 2 -9.157 4.391 -7.152
239 HB3 LEU 2 1HB LEU 2 -8.329 2.873 -7.420
240 HG LEU 2 HG LEU 2 -10.709 3.863 -8.997
241 HD11 LEU 2 1HD1 LEU 2 -9.112 4.129 -10.817
242 HD12 LEU 2 2HD1 LEU 2 -7.799 3.659 -9.738
243 HD13 LEU 2 3HD1 LEU 2 -8.693 5.150 -9.440
244 HD21 LEU 2 3HD2 LEU 2 -8.973 1.415 -9.359
245 HD22 LEU 2 1HD2 LEU 2 -10.212 1.971 -10.486
246 HD23 LEU 2 2HD2 LEU 2 -10.671 1.428 -8.877
247 H TYR 3 H TYR 3 -10.231 4.303 -4.544
248 HA TYR 3 HA TYR 3 -8.176 3.346 -2.903
249 HB2 TYR 3 2HB TYR 3 -10.600 4.988 -2.339
250 HB3 TYR 3 1HB TYR 3 -9.660 4.381 -0.989
251 HD1 TYR 3 1HD TYR 3 -7.223 5.033 -0.845
252 HD2 TYR 3 2HD TYR 3 -9.912 6.879 -3.563
253 HE1 TYR 3 1HE TYR 3 -5.677 6.926 -1.071
254 HE2 TYR 3 2HE TYR 3 -8.368 8.775 -3.808
255 HH TYR 3 HH TYR 3 -6.576 9.834 -2.461
256 H SER 4 H SER 4 -11.610 2.614 -2.776
257 HA SER 4 HA SER 4 -11.369 0.767 -0.644
258 HB2 SER 4 2HB SER 4 -13.495 1.978 -1.250
259 HB3 SER 4 1HB SER 4 -13.614 0.941 -2.666
260 HG SER 4 HG SER 4 -14.689 -0.283 -1.302
261 H ALA 5 H ALA 5 -11.276 0.510 -4.145
262 HA ALA 5 HA ALA 5 -11.398 -2.276 -4.371
263 HB1 ALA 5 1HB ALA 5 -10.292 -1.968 -6.547
264 HB2 ALA 5 2HB ALA 5 -9.863 -0.321 -6.094
265 HB3 ALA 5 3HB ALA 5 -11.559 -0.760 -6.309
266 H LEU 6 H LEU 6 -8.621 -0.095 -4.112
267 HA LEU 6 HA LEU 6 -6.560 -1.974 -3.944
268 HB2 LEU 6 2HB LEU 6 -6.156 0.412 -4.227
269 HB3 LEU 6 1HB LEU 6 -6.858 0.747 -2.661
270 HG LEU 6 HG LEU 6 -4.971 -0.501 -1.609
271 HD11 LEU 6 1HD1 LEU 6 -2.972 -0.935 -2.932
272 HD12 LEU 6 2HD1 LEU 6 -3.851 -0.497 -4.397
273 HD13 LEU 6 3HD1 LEU 6 -4.341 -1.910 -3.460
274 HD21 LEU 6 3HD2 LEU 6 -3.317 1.274 -1.936
275 HD22 LEU 6 1HD2 LEU 6 -4.942 1.931 -1.751
276 HD23 LEU 6 2HD2 LEU 6 -4.204 1.839 -3.350
277 H ALA 7 H ALA 7 -8.507 -0.492 -1.395
278 HA ALA 7 HA ALA 7 -7.282 -1.676 0.799
279 HB1 ALA 7 1HB ALA 7 -9.283 -1.111 2.035
280 HB2 ALA 7 2HB ALA 7 -10.181 -0.897 0.532
281 HB3 ALA 7 3HB ALA 7 -8.863 0.205 0.936
282 H ASN 8 H ASN 8 -10.185 -2.741 -0.936
283 HA ASN 8 HA ASN 8 -10.490 -5.092 0.594
284 HB2 ASN 8 2HB ASN 8 -11.635 -4.318 -2.084
285 HB3 ASN 8 1HB ASN 8 -11.930 -5.901 -1.377
286 HD21 ASN 8 1HD2 ASN 8 -12.590 -2.505 -1.154
287 HD22 ASN 8 2HD2 ASN 8 -13.902 -2.612 -0.046
288 H LYS 9 H LYS 9 -8.922 -4.534 -2.526
289 HA LYS 9 HA LYS 9 -8.200 -7.180 -3.099
290 HB2 LYS 9 2HB LYS 9 -6.875 -4.572 -3.725
291 HB3 LYS 9 1HB LYS 9 -6.139 -6.063 -4.233
292 HG2 LYS 9 2HG LYS 9 -8.174 -6.549 -5.539
293 HG3 LYS 9 1HG LYS 9 -8.814 -4.967 -5.061
294 HD2 LYS 9 2HD LYS 9 -6.882 -3.880 -6.082
295 HD3 LYS 9 1HD LYS 9 -6.228 -5.452 -6.536
296 HE2 LYS 9 2HE LYS 9 -8.821 -4.259 -7.502
297 HE3 LYS 9 1HE LYS 9 -7.299 -4.348 -8.396
298 HZ1 LYS 9 3HZ LYS 9 -8.871 -6.699 -7.465
299 HZ2 LYS 9 1HZ LYS 9 -7.436 -6.757 -8.334
300 HZ3 LYS 9 2HZ LYS 9 -8.823 -6.126 -9.046
301 H CYS 10 H CYS 10 -6.440 -4.763 -1.285
302 HA CYS 10 HA CYS 10 -4.194 -6.447 -0.852
303 HB2 CYS 10 2HB CYS 10 -4.507 -3.837 -0.681
304 HB3 CYS 10 1HB CYS 10 -4.959 -4.220 0.968
305 H CYS 11 H CYS 11 -7.192 -5.904 0.813
306 HA CYS 11 HA CYS 11 -6.317 -7.160 3.201
307 HB2 CYS 11 2HB CYS 11 -8.164 -5.402 2.941
308 HB3 CYS 11 1HB CYS 11 -9.177 -6.719 2.373
309 H HIS 12 H HIS 12 -7.927 -8.183 0.240
310 HA HIS 12 HA HIS 12 -8.488 -10.783 1.405
311 HB2 HIS 12 2HB HIS 12 -9.215 -9.497 -1.178
312 HB3 HIS 12 1HB HIS 12 -9.391 -11.232 -0.966
313 HD1 HIS 12 1HD HIS 12 -11.551 -11.968 0.149
314 HD2 HIS 12 2HD HIS 12 -10.739 -7.943 0.689
315 HE1 HIS 12 1HE HIS 12 -13.583 -11.007 1.308
316 H VAL 13 H VAL 13 -6.663 -9.573 -1.354
317 HA VAL 13 HA VAL 13 -5.270 -12.156 -1.348
318 HB VAL 13 HB VAL 13 -4.672 -11.681 -3.728
319 HG11 VAL 13 1HG1 VAL 13 -7.614 -11.928 -3.039
320 HG12 VAL 13 2HG1 VAL 13 -6.467 -13.265 -3.145
321 HG13 VAL 13 3HG1 VAL 13 -6.930 -12.376 -4.600
322 HG21 VAL 13 3HG2 VAL 13 -6.125 -10.139 -5.023
323 HG22 VAL 13 1HG2 VAL 13 -5.115 -9.295 -3.848
324 HG23 VAL 13 2HG2 VAL 13 -6.823 -9.568 -3.507
325 H GLY 14 H GLY 14 -4.810 -8.787 -1.932
326 HA2 GLY 14 2HA GLY 14 -2.910 -7.998 -0.384
327 HA3 GLY 14 1HA GLY 14 -1.937 -9.023 -1.410
328 H CYS 15 H CYS 15 -1.382 -6.389 -1.259
329 HA CYS 15 HA CYS 15 -2.154 -5.487 -3.935
330 HB2 CYS 15 2HB CYS 15 -2.268 -3.202 -3.134
331 HB3 CYS 15 1HB CYS 15 -3.471 -4.207 -2.352
332 H THR 16 H THR 16 -0.592 -3.847 -4.709
333 HA THR 16 HA THR 16 2.015 -4.611 -3.767
334 HB THR 16 HB THR 16 2.769 -3.505 -5.946
335 HG1 THR 16 1HG THR 16 0.165 -4.085 -6.842
336 HG21 THR 16 3HG2 THR 16 1.121 -6.025 -5.931
337 HG22 THR 16 1HG2 THR 16 2.846 -5.892 -5.622
338 HG23 THR 16 2HG2 THR 16 2.212 -5.563 -7.239
339 H LYS 17 H LYS 17 3.533 -3.185 -3.363
340 HA LYS 17 HA LYS 17 2.705 -0.959 -1.811
341 HB2 LYS 17 2HB LYS 17 4.919 -2.469 -2.083
342 HB3 LYS 17 1HB LYS 17 5.601 -0.949 -2.569
343 HG2 LYS 17 2HG LYS 17 5.927 -1.198 -0.224
344 HG3 LYS 17 1HG LYS 17 4.598 -0.033 -0.374
345 HD2 LYS 17 2HD LYS 17 2.992 -1.892 -0.081
346 HD3 LYS 17 1HD LYS 17 4.343 -3.001 0.117
347 HE2 LYS 17 2HE LYS 17 3.631 -0.696 1.921
348 HE3 LYS 17 1HE LYS 17 3.337 -2.397 2.252
349 HZ1 LYS 17 3HZ LYS 17 5.899 -2.596 1.968
350 HZ2 LYS 17 1HZ LYS 17 5.270 -1.927 3.405
351 HZ3 LYS 17 2HZ LYS 17 5.858 -0.915 2.240
352 H ARG 18 H ARG 18 3.900 -1.033 -5.112
353 HA ARG 18 HA ARG 18 4.034 1.791 -5.389
354 HB2 ARG 18 2HB ARG 18 3.441 -0.277 -7.489
355 HB3 ARG 18 1HB ARG 18 3.838 1.396 -7.814
356 HG2 ARG 18 2HG ARG 18 6.060 0.966 -6.767
357 HG3 ARG 18 1HG ARG 18 5.615 -0.745 -6.693
358 HD2 ARG 18 2HD ARG 18 6.883 -0.337 -8.712
359 HD3 ARG 18 1HD ARG 18 5.210 -0.718 -9.126
360 HE ARG 18 HE ARG 18 6.317 1.997 -9.041
361 HH11 ARG 18 1HH1 ARG 18 4.158 -0.381 -10.607
362 HH12 ARG 18 2HH1 ARG 18 3.629 0.700 -11.793
363 HH21 ARG 18 1HH2 ARG 18 5.573 3.444 -10.735
364 HH22 ARG 18 2HH2 ARG 18 4.453 2.898 -11.886
365 H SER 19 H SER 19 1.450 -0.478 -5.371
366 HA SER 19 HA SER 19 -0.415 1.129 -6.769
367 HB2 SER 19 2HB SER 19 -0.485 -1.328 -6.703
368 HB3 SER 19 1HB SER 19 -0.864 -1.302 -5.003
369 HG SER 19 HG SER 19 -2.743 -1.491 -6.083
370 H LEU 20 H LEU 20 0.452 0.584 -3.406
371 HA LEU 20 HA LEU 20 -1.617 2.467 -2.575
372 HB2 LEU 20 2HB LEU 20 0.692 1.936 -0.657
373 HB3 LEU 20 1HB LEU 20 -0.924 2.398 -0.372
374 HG LEU 20 HG LEU 20 -1.664 0.076 -1.096
375 HD11 LEU 20 1HD1 LEU 20 -0.049 -1.674 -0.764
376 HD12 LEU 20 2HD1 LEU 20 1.212 -0.472 -0.497
377 HD13 LEU 20 3HD1 LEU 20 0.449 -0.616 -2.086
378 HD21 LEU 20 3HD2 LEU 20 -1.772 0.863 1.197
379 HD22 LEU 20 1HD2 LEU 20 -0.056 0.479 1.397
380 HD23 LEU 20 2HD2 LEU 20 -1.218 -0.816 1.130
381 H ALA 21 H ALA 21 1.622 2.541 -3.454
382 HA ALA 21 HA ALA 21 2.409 5.082 -2.557
383 HB1 ALA 21 1HB ALA 21 3.956 3.399 -3.514
384 HB2 ALA 21 2HB ALA 21 4.165 5.011 -4.198
385 HB3 ALA 21 3HB ALA 21 3.307 3.774 -5.112
386 H ARG 22 H ARG 22 0.678 4.182 -5.456
387 HA ARG 22 HA ARG 22 0.792 6.799 -6.587
388 HB2 ARG 22 2HB ARG 22 -0.938 5.988 -8.185
389 HB3 ARG 22 1HB ARG 22 0.503 4.987 -8.103
390 HG2 ARG 22 2HG ARG 22 -0.677 3.407 -6.684
391 HG3 ARG 22 1HG ARG 22 -2.116 4.417 -6.758
392 HD2 ARG 22 2HD ARG 22 -2.332 4.043 -9.105
393 HD3 ARG 22 1HD ARG 22 -0.775 3.212 -9.165
394 HE ARG 22 HE ARG 22 -2.252 1.850 -7.329
395 HH11 ARG 22 1HH1 ARG 22 -2.814 2.674 -10.733
396 HH12 ARG 22 2HH1 ARG 22 -3.508 1.162 -11.110
397 HH21 ARG 22 1HH2 ARG 22 -3.194 -0.195 -7.857
398 HH22 ARG 22 2HH2 ARG 22 -3.744 -0.488 -9.450
399 H PHE 23 H PHE 23 -1.166 5.456 -4.179
400 HA PHE 23 HA PHE 23 -3.108 7.637 -4.503
401 HB2 PHE 23 2HB PHE 23 -3.330 5.075 -2.917
402 HB3 PHE 23 1HB PHE 23 -4.504 6.378 -2.839
403 HD1 PHE 23 1HD PHE 23 -5.777 6.982 -4.920
404 HD2 PHE 23 2HD PHE 23 -3.404 3.472 -4.620
405 HE1 PHE 23 1HE PHE 23 -6.987 6.007 -6.823
406 HE2 PHE 23 2HE PHE 23 -4.605 2.490 -6.524
407 HZ PHE 23 HZ PHE 23 -6.397 3.757 -7.629
408 H CYS 24 H CYS 24 -1.634 5.887 -1.922
409 HA CYS 24 HA CYS 24 -0.967 6.376 0.152
410 HB2 CYS 24 2HB CYS 24 0.820 7.526 -1.073
411 HB3 CYS 24 1HB CYS 24 -0.137 8.998 -1.105
412 HN1 NH2 25 HT1 CYS 24 -1.751 9.765 -0.331
413 HN2 NH2 25 HT2 CYS 24 -3.085 9.787 0.759
Start of MODEL 17
1 H1 ASP 1 1HT ASP 1 12.176 -2.183 3.628
2 H2 ASP 1 2HT ASP 1 13.439 -1.835 2.555
3 H3 ASP 1 3HT ASP 1 12.750 -3.356 2.560
4 HA ASP 1 HA ASP 1 10.668 -2.448 1.786
5 HB2 ASP 1 2HB ASP 1 10.593 -0.115 1.027
6 HB3 ASP 1 1HB ASP 1 10.882 -0.201 2.759
7 H SER 2 H SER 2 10.305 -2.543 -0.360
8 HA SER 2 HA SER 2 12.490 -2.033 -2.224
9 HB2 SER 2 2HB SER 2 10.484 -4.247 -2.545
10 HB3 SER 2 1HB SER 2 11.917 -3.963 -3.499
11 HG SER 2 HG SER 2 11.890 -4.769 -0.782
12 H TRP 3 H TRP 3 11.667 -0.949 -3.973
13 HA TRP 3 HA TRP 3 8.926 -0.095 -3.550
14 HB2 TRP 3 2HB TRP 3 11.015 1.247 -5.265
15 HB3 TRP 3 1HB TRP 3 9.366 1.819 -5.052
16 HD1 TRP 3 HD TRP 3 12.428 3.004 -4.039
17 HE1 TRP 3 1HE TRP 3 12.499 3.954 -1.646
18 HE3 TRP 3 3HE TRP 3 8.137 0.892 -2.122
19 HZ2 TRP 3 2HZ TRP 3 10.977 3.834 0.709
20 HZ3 TRP 3 3HZ TRP 3 7.548 1.339 0.159
21 HH2 TRP 3 HH TRP 3 8.930 2.796 1.582
22 H MET 4 H MET 4 10.913 -1.367 -6.122
23 HA MET 4 HA MET 4 8.861 -1.120 -8.041
24 HB2 MET 4 2HB MET 4 11.348 -2.815 -8.085
25 HB3 MET 4 1HB MET 4 10.246 -2.645 -9.441
26 HG2 MET 4 2HG MET 4 11.781 -0.415 -8.129
27 HG3 MET 4 1HG MET 4 12.175 -1.177 -9.670
28 HE1 MET 4 3HE MET 4 9.262 -1.560 -10.999
29 HE2 MET 4 1HE MET 4 10.696 -0.975 -11.848
30 HE3 MET 4 2HE MET 4 9.189 -0.069 -11.937
31 H GLU 5 H GLU 5 9.915 -3.960 -6.166
32 HA GLU 5 HA GLU 5 7.216 -4.891 -6.623
33 HB2 GLU 5 2HB GLU 5 8.682 -6.106 -8.230
34 HB3 GLU 5 1HB GLU 5 9.563 -6.768 -6.859
35 HG2 GLU 5 2HG GLU 5 7.423 -7.751 -6.037
36 HG3 GLU 5 1HG GLU 5 6.667 -7.218 -7.532
37 H GLU 6 H GLU 6 6.785 -4.188 -4.555
38 HA GLU 6 HA GLU 6 7.523 -6.214 -2.595
39 HB2 GLU 6 2HB GLU 6 8.423 -3.721 -2.122
40 HB3 GLU 6 1HB GLU 6 6.701 -3.480 -1.820
41 HG2 GLU 6 2HG GLU 6 6.632 -4.961 -0.026
42 HG3 GLU 6 1HG GLU 6 8.259 -5.549 -0.358
43 H VAL 7 H VAL 7 5.799 -6.688 -1.338
44 HA VAL 7 HA VAL 7 3.175 -5.768 -2.164
45 HB VAL 7 HB VAL 7 3.621 -7.489 -3.832
46 HG11 VAL 7 1HG1 VAL 7 4.044 -9.829 -3.238
47 HG12 VAL 7 2HG1 VAL 7 4.173 -9.349 -1.544
48 HG13 VAL 7 3HG1 VAL 7 5.335 -8.744 -2.722
49 HG21 VAL 7 3HG2 VAL 7 1.748 -9.057 -3.426
50 HG22 VAL 7 1HG2 VAL 7 1.312 -7.391 -3.043
51 HG23 VAL 7 2HG2 VAL 7 1.683 -8.518 -1.747
52 H ILE 8 H ILE 8 1.637 -6.024 -0.635
53 HA ILE 8 HA ILE 8 2.381 -7.475 1.798
54 HB ILE 8 HB ILE 8 1.509 -5.685 3.205
55 HG12 ILE 8 2HG1 ILE 8 1.205 -4.143 0.632
56 HG13 ILE 8 1HG1 ILE 8 -0.097 -4.738 1.632
57 HG21 ILE 8 1HG2 ILE 8 3.896 -5.668 2.799
58 HG22 ILE 8 2HG2 ILE 8 3.297 -4.014 2.927
59 HG23 ILE 8 3HG2 ILE 8 3.665 -4.697 1.345
60 HD11 ILE 8 3HD1 ILE 8 0.565 -3.237 3.440
61 HD12 ILE 8 1HD1 ILE 8 0.208 -2.349 1.959
62 HD13 ILE 8 2HD1 ILE 8 1.882 -2.620 2.445
63 H LYS 9 H LYS 9 0.445 -7.629 3.207
64 HA LYS 9 HA LYS 9 -2.112 -7.489 1.839
65 HB2 LYS 9 2HB LYS 9 -1.259 -9.844 1.563
66 HB3 LYS 9 1HB LYS 9 -1.208 -9.985 3.312
67 HG2 LYS 9 2HG LYS 9 -3.652 -9.655 3.392
68 HG3 LYS 9 1HG LYS 9 -3.683 -9.577 1.630
69 HD2 LYS 9 2HD LYS 9 -2.715 -11.848 1.549
70 HD3 LYS 9 1HD LYS 9 -2.790 -11.921 3.308
71 HE2 LYS 9 2HE LYS 9 -5.139 -11.619 1.433
72 HE3 LYS 9 1HE LYS 9 -4.664 -13.097 2.257
73 HZ1 LYS 9 3HZ LYS 9 -5.111 -11.961 4.382
74 HZ2 LYS 9 1HZ LYS 9 -6.474 -12.033 3.402
75 HZ3 LYS 9 2HZ LYS 9 -5.628 -10.598 3.558
76 H LEU 10 H LEU 10 -1.985 -5.668 3.245
77 HA LEU 10 HA LEU 10 -2.629 -6.255 6.058
78 HB2 LEU 10 2HB LEU 10 -1.313 -3.899 4.759
79 HB3 LEU 10 1HB LEU 10 -2.253 -3.670 6.197
80 HG LEU 10 HG LEU 10 -0.838 -5.069 7.499
81 HD11 LEU 10 1HD1 LEU 10 -0.191 -6.741 5.807
82 HD12 LEU 10 2HD1 LEU 10 1.225 -6.082 6.631
83 HD13 LEU 10 3HD1 LEU 10 0.811 -5.525 5.010
84 HD21 LEU 10 3HD2 LEU 10 1.239 -3.795 7.456
85 HD22 LEU 10 1HD2 LEU 10 -0.164 -2.749 7.251
86 HD23 LEU 10 2HD2 LEU 10 0.826 -3.177 5.858
87 H CYS 11 H CYS 11 -3.988 -4.383 6.918
88 HA CYS 11 HA CYS 11 -6.168 -3.746 5.082
89 HB2 CYS 11 2HB CYS 11 -6.314 -5.437 7.434
90 HB3 CYS 11 1HB CYS 11 -7.802 -4.854 6.657
91 H GLY 12 H GLY 12 -7.749 -2.447 6.240
92 HA2 GLY 12 2HA GLY 12 -8.443 -0.745 7.617
93 HA3 GLY 12 1HA GLY 12 -7.764 -1.725 8.894
94 H ARG 13 H ARG 13 -6.663 -0.550 10.106
95 HA ARG 13 HA ARG 13 -5.505 1.931 9.308
96 HB2 ARG 13 2HB ARG 13 -5.297 0.412 11.904
97 HB3 ARG 13 1HB ARG 13 -4.641 2.017 11.635
98 HG2 ARG 13 2HG ARG 13 -7.553 1.280 11.428
99 HG3 ARG 13 1HG ARG 13 -6.794 2.066 12.814
100 HD2 ARG 13 2HD ARG 13 -6.165 3.949 11.408
101 HD3 ARG 13 1HD ARG 13 -6.905 3.175 10.007
102 HE ARG 13 HE ARG 13 -8.745 3.435 12.128
103 HH11 ARG 13 1HH1 ARG 13 -7.125 5.355 9.654
104 HH12 ARG 13 2HH1 ARG 13 -8.401 6.488 9.510
105 HH21 ARG 13 1HH2 ARG 13 -10.465 5.002 11.952
106 HH22 ARG 13 2HH2 ARG 13 -10.314 6.287 10.842
107 H GLU 14 H GLU 14 -4.279 -1.362 9.537
108 HA GLU 14 HA GLU 14 -1.553 -0.458 9.725
109 HB2 GLU 14 2HB GLU 14 -2.895 -3.116 9.350
110 HB3 GLU 14 1HB GLU 14 -1.177 -2.954 9.039
111 HG2 GLU 14 2HG GLU 14 -1.607 -3.820 11.272
112 HG3 GLU 14 1HG GLU 14 -0.810 -2.258 11.344
113 H LEU 15 H LEU 15 -3.866 -1.197 7.351
114 HA LEU 15 HA LEU 15 -2.144 -1.406 5.121
115 HB2 LEU 15 2HB LEU 15 -4.640 -1.938 5.309
116 HB3 LEU 15 1HB LEU 15 -4.900 -0.219 5.101
117 HG LEU 15 HG LEU 15 -3.702 -0.365 2.924
118 HD11 LEU 15 1HD1 LEU 15 -3.467 -2.653 1.998
119 HD12 LEU 15 2HD1 LEU 15 -3.868 -3.260 3.626
120 HD13 LEU 15 3HD1 LEU 15 -2.394 -2.335 3.370
121 HD21 LEU 15 3HD2 LEU 15 -6.094 -2.167 3.246
122 HD22 LEU 15 1HD2 LEU 15 -5.528 -1.434 1.746
123 HD23 LEU 15 2HD2 LEU 15 -6.147 -0.411 3.047
124 H VAL 16 H VAL 16 -3.845 1.215 6.713
125 HA VAL 16 HA VAL 16 -2.966 3.250 4.964
126 HB VAL 16 HB VAL 16 -3.914 3.551 7.836
127 HG11 VAL 16 1HG1 VAL 16 -2.813 5.549 7.030
128 HG12 VAL 16 2HG1 VAL 16 -4.555 5.826 7.130
129 HG13 VAL 16 3HG1 VAL 16 -3.796 5.534 5.566
130 HG21 VAL 16 3HG2 VAL 16 -6.127 4.006 6.878
131 HG22 VAL 16 1HG2 VAL 16 -5.576 2.375 6.495
132 HG23 VAL 16 2HG2 VAL 16 -5.501 3.643 5.271
133 H ARG 17 H ARG 17 -1.710 1.923 7.985
134 HA ARG 17 HA ARG 17 0.379 3.701 8.479
135 HB2 ARG 17 2HB ARG 17 0.339 0.709 8.888
136 HB3 ARG 17 1HB ARG 17 1.568 1.742 9.571
137 HG2 ARG 17 2HG ARG 17 -0.190 2.915 10.847
138 HG3 ARG 17 1HG ARG 17 -1.373 1.786 10.193
139 HD2 ARG 17 2HD ARG 17 -0.020 -0.074 11.179
140 HD3 ARG 17 1HD ARG 17 0.980 1.139 11.972
141 HE ARG 17 HE ARG 17 -1.798 0.478 12.509
142 HH11 ARG 17 1HH1 ARG 17 1.115 2.284 13.448
143 HH12 ARG 17 2HH1 ARG 17 0.482 2.818 14.932
144 HH21 ARG 17 1HH2 ARG 17 -2.692 1.317 14.558
145 HH22 ARG 17 2HH2 ARG 17 -1.719 2.290 15.547
146 H ALA 18 H ALA 18 0.360 0.889 6.433
147 HA ALA 18 HA ALA 18 3.041 1.169 5.515
148 HB1 ALA 18 1HB ALA 18 0.741 -0.278 4.199
149 HB2 ALA 18 2HB ALA 18 1.838 -0.966 5.398
150 HB3 ALA 18 3HB ALA 18 2.451 -0.483 3.816
151 H GLN 19 H GLN 19 -0.070 2.202 4.265
152 HA GLN 19 HA GLN 19 0.718 3.314 1.817
153 HB2 GLN 19 2HB GLN 19 -1.448 3.976 3.748
154 HB3 GLN 19 1HB GLN 19 -1.273 4.902 2.288
155 HG2 GLN 19 2HG GLN 19 -1.473 2.630 1.084
156 HG3 GLN 19 1HG GLN 19 -1.974 1.999 2.649
157 HE21 GLN 19 1HE2 GLN 19 -2.743 4.158 0.082
158 HE22 GLN 19 2HE2 GLN 19 -4.431 4.326 0.441
159 H ILE 20 H ILE 20 0.209 4.938 4.904
160 HA ILE 20 HA ILE 20 1.027 7.510 4.275
161 HB ILE 20 HB ILE 20 1.467 6.079 6.924
162 HG12 ILE 20 2HG1 ILE 20 -0.725 7.965 6.047
163 HG13 ILE 20 1HG1 ILE 20 -0.892 6.218 6.186
164 HG21 ILE 20 1HG2 ILE 20 1.611 8.317 7.929
165 HG22 ILE 20 2HG2 ILE 20 1.528 9.035 6.320
166 HG23 ILE 20 3HG2 ILE 20 2.913 8.040 6.768
167 HD11 ILE 20 3HD1 ILE 20 -1.872 7.365 8.100
168 HD12 ILE 20 1HD1 ILE 20 -0.322 8.129 8.449
169 HD13 ILE 20 2HD1 ILE 20 -0.495 6.379 8.598
170 H ALA 21 H ALA 21 3.009 4.822 5.326
171 HA ALA 21 HA ALA 21 5.473 6.152 5.456
172 HB1 ALA 21 1HB ALA 21 6.493 3.935 5.283
173 HB2 ALA 21 2HB ALA 21 4.941 3.269 4.767
174 HB3 ALA 21 3HB ALA 21 5.121 3.925 6.391
175 H ILE 22 H ILE 22 3.897 4.481 2.780
176 HA ILE 22 HA ILE 22 6.090 4.970 0.991
177 HB ILE 22 HB ILE 22 4.124 3.068 1.019
178 HG12 ILE 22 2HG1 ILE 22 6.180 2.880 -0.177
179 HG13 ILE 22 1HG1 ILE 22 4.813 2.440 -1.210
180 HG21 ILE 22 1HG2 ILE 22 3.208 4.967 -1.070
181 HG22 ILE 22 2HG2 ILE 22 2.334 4.501 0.394
182 HG23 ILE 22 3HG2 ILE 22 2.661 3.305 -0.867
183 HD11 ILE 22 3HD1 ILE 22 6.414 4.994 -1.314
184 HD12 ILE 22 1HD1 ILE 22 5.026 4.620 -2.334
185 HD13 ILE 22 2HD1 ILE 22 6.498 3.658 -2.462
186 H CYS 23 H CYS 23 3.210 6.509 1.874
187 HA CYS 23 HA CYS 23 2.969 8.277 -0.373
188 HB2 CYS 23 2HB CYS 23 1.196 7.569 1.481
189 HB3 CYS 23 1HB CYS 23 1.834 8.968 2.329
190 H GLY 24 H GLY 24 4.753 8.216 2.574
191 HA2 GLY 24 2HA GLY 24 5.738 10.928 2.168
192 HA3 GLY 24 1HA GLY 24 6.057 9.898 3.565
193 H MET 25 H MET 25 6.323 8.178 0.708
194 HA MET 25 HA MET 25 9.162 8.689 0.471
195 HB2 MET 25 2HB MET 25 7.880 5.974 0.767
196 HB3 MET 25 1HB MET 25 9.452 6.189 0.018
197 HG2 MET 25 2HG MET 25 8.717 6.943 2.831
198 HG3 MET 25 1HG MET 25 9.656 5.531 2.340
199 HE1 MET 25 3HE MET 25 11.625 6.156 3.954
200 HE2 MET 25 1HE MET 25 10.682 7.538 4.513
201 HE3 MET 25 2HE MET 25 12.364 7.757 4.026
202 H SER 26 H SER 26 8.230 9.950 -1.129
203 HA SER 26 HA SER 26 7.419 8.529 -3.553
204 HB2 SER 26 2HB SER 26 7.584 11.501 -2.999
205 HB3 SER 26 1HB SER 26 6.839 10.727 -4.403
206 HG SER 26 HG SER 26 5.575 9.563 -2.746
207 H THR 27 H THR 27 10.153 8.712 -2.233
208 HA THR 27 HA THR 27 11.664 9.391 -4.575
209 HB THR 27 HB THR 27 13.487 9.882 -2.831
210 HG1 THR 27 1HG THR 27 12.906 10.181 -0.789
211 HG21 THR 27 3HG2 THR 27 12.408 11.678 -4.127
212 HG22 THR 27 1HG2 THR 27 12.737 12.203 -2.476
213 HG23 THR 27 2HG2 THR 27 11.101 11.745 -2.947
214 H TRP 28 H TRP 28 13.862 8.270 -3.968
215 HA TRP 28 HA TRP 28 13.161 5.467 -3.609
216 HB2 TRP 28 2HB TRP 28 14.415 6.178 -5.671
217 HB3 TRP 28 1HB TRP 28 15.778 6.600 -4.646
218 HD1 TRP 28 HD TRP 28 13.711 3.491 -5.650
219 HE1 TRP 28 1HE TRP 28 15.245 1.434 -5.550
220 HE3 TRP 28 3HE TRP 28 17.939 5.717 -3.822
221 HZ2 TRP 28 2HZ TRP 28 17.896 0.829 -4.797
222 HZ3 TRP 28 3HZ TRP 28 19.931 4.325 -3.449
223 HH2 TRP 28 HH TRP 28 19.908 1.937 -3.924
224 H SER 29 H SER 29 12.897 6.093 -1.296
225 HA SER 29 HA SER 29 15.440 5.584 0.083
226 HB2 SER 29 2HB SER 29 13.100 7.212 1.115
227 HB3 SER 29 1HB SER 29 14.618 6.920 1.965
228 HG SER 29 HG SER 29 14.697 8.901 0.998
229 HN1 NH2 30 HT1 SER 29 14.864 3.369 -0.235
230 HN2 NH2 30 HT2 SER 29 13.676 2.583 0.741
231 HA PCA 1 HA PCA 1 -14.109 4.363 -4.098
232 HB2 PCA 1 2HB PCA 1 -14.886 2.497 -6.093
233 HB3 PCA 1 1HB PCA 1 -15.978 3.392 -4.994
234 HG2 PCA 1 2HG PCA 1 -15.645 3.745 -7.829
235 HG3 PCA 1 1HG PCA 1 -16.673 4.719 -6.722
236 H LEU 2 H LEU 2 -11.953 5.156 -5.736
237 HA LEU 2 HA LEU 2 -10.620 2.765 -6.682
238 HB2 LEU 2 2HB LEU 2 -9.528 5.563 -6.416
239 HB3 LEU 2 1HB LEU 2 -8.733 4.222 -7.220
240 HG LEU 2 HG LEU 2 -11.347 5.454 -8.099
241 HD11 LEU 2 1HD1 LEU 2 -10.067 6.330 -9.985
242 HD12 LEU 2 2HD1 LEU 2 -8.582 5.715 -9.258
243 HD13 LEU 2 3HD1 LEU 2 -9.503 6.980 -8.446
244 HD21 LEU 2 3HD2 LEU 2 -11.222 3.102 -8.702
245 HD22 LEU 2 1HD2 LEU 2 -9.612 3.343 -9.387
246 HD23 LEU 2 2HD2 LEU 2 -11.013 4.108 -10.133
247 H TYR 3 H TYR 3 -10.330 4.877 -3.930
248 HA TYR 3 HA TYR 3 -8.085 3.524 -2.803
249 HB2 TYR 3 2HB TYR 3 -10.123 5.399 -1.689
250 HB3 TYR 3 1HB TYR 3 -8.988 4.592 -0.631
251 HD1 TYR 3 1HD TYR 3 -6.579 5.152 -0.805
252 HD2 TYR 3 2HD TYR 3 -9.476 7.122 -3.190
253 HE1 TYR 3 1HE TYR 3 -4.939 6.901 -1.341
254 HE2 TYR 3 2HE TYR 3 -7.860 8.869 -3.739
255 HH TYR 3 HH TYR 3 -5.800 9.808 -2.599
256 H SER 4 H SER 4 -11.503 3.381 -2.286
257 HA SER 4 HA SER 4 -11.637 1.311 -0.446
258 HB2 SER 4 2HB SER 4 -13.570 1.874 -2.701
259 HB3 SER 4 1HB SER 4 -13.935 1.037 -1.191
260 HG SER 4 HG SER 4 -14.534 3.253 -1.215
261 H ALA 5 H ALA 5 -11.295 1.179 -3.985
262 HA ALA 5 HA ALA 5 -11.524 -1.628 -4.244
263 HB1 ALA 5 1HB ALA 5 -11.720 -0.100 -6.173
264 HB2 ALA 5 2HB ALA 5 -10.487 -1.330 -6.444
265 HB3 ALA 5 3HB ALA 5 -10.013 0.311 -6.006
266 H LEU 6 H LEU 6 -8.772 0.541 -3.854
267 HA LEU 6 HA LEU 6 -6.685 -1.302 -3.908
268 HB2 LEU 6 2HB LEU 6 -6.400 1.173 -3.873
269 HB3 LEU 6 1HB LEU 6 -6.905 1.192 -2.197
270 HG LEU 6 HG LEU 6 -4.914 -0.214 -1.646
271 HD11 LEU 6 1HD1 LEU 6 -4.182 0.355 -4.501
272 HD12 LEU 6 2HD1 LEU 6 -4.534 -1.222 -3.793
273 HD13 LEU 6 3HD1 LEU 6 -3.100 -0.334 -3.297
274 HD21 LEU 6 3HD2 LEU 6 -4.296 2.447 -2.962
275 HD22 LEU 6 1HD2 LEU 6 -3.283 1.624 -1.775
276 HD23 LEU 6 2HD2 LEU 6 -4.864 2.226 -1.307
277 H ALA 7 H ALA 7 -8.544 -0.104 -1.144
278 HA ALA 7 HA ALA 7 -7.369 -1.588 0.905
279 HB1 ALA 7 1HB ALA 7 -9.466 -1.240 2.137
280 HB2 ALA 7 2HB ALA 7 -10.255 -0.734 0.643
281 HB3 ALA 7 3HB ALA 7 -8.946 0.233 1.320
282 H ASN 8 H ASN 8 -10.148 -2.340 -1.098
283 HA ASN 8 HA ASN 8 -10.767 -4.852 -0.079
284 HB2 ASN 8 2HB ASN 8 -12.334 -3.677 -1.468
285 HB3 ASN 8 1HB ASN 8 -11.200 -3.621 -2.805
286 HD21 ASN 8 1HD2 ASN 8 -11.115 -5.313 -4.195
287 HD22 ASN 8 2HD2 ASN 8 -12.162 -6.671 -4.100
288 H LYS 9 H LYS 9 -8.560 -3.955 -2.696
289 HA LYS 9 HA LYS 9 -7.886 -6.618 -3.368
290 HB2 LYS 9 2HB LYS 9 -6.866 -3.940 -4.077
291 HB3 LYS 9 1HB LYS 9 -5.726 -5.258 -4.257
292 HG2 LYS 9 2HG LYS 9 -8.474 -5.260 -5.482
293 HG3 LYS 9 1HG LYS 9 -7.030 -4.666 -6.313
294 HD2 LYS 9 2HD LYS 9 -5.970 -6.838 -6.095
295 HD3 LYS 9 1HD LYS 9 -7.339 -7.456 -5.182
296 HE2 LYS 9 2HE LYS 9 -7.442 -6.475 -8.027
297 HE3 LYS 9 1HE LYS 9 -7.340 -8.167 -7.541
298 HZ1 LYS 9 3HZ LYS 9 -9.568 -6.300 -6.931
299 HZ2 LYS 9 1HZ LYS 9 -9.458 -7.890 -6.382
300 HZ3 LYS 9 2HZ LYS 9 -9.594 -7.579 -8.020
301 H CYS 10 H CYS 10 -6.136 -4.296 -1.377
302 HA CYS 10 HA CYS 10 -3.975 -6.051 -0.827
303 HB2 CYS 10 2HB CYS 10 -5.014 -3.845 0.938
304 HB3 CYS 10 1HB CYS 10 -3.384 -4.501 0.888
305 H CYS 11 H CYS 11 -7.082 -5.557 0.754
306 HA CYS 11 HA CYS 11 -6.279 -7.113 3.005
307 HB2 CYS 11 2HB CYS 11 -8.028 -5.221 2.923
308 HB3 CYS 11 1HB CYS 11 -9.128 -6.450 2.317
309 H HIS 12 H HIS 12 -7.898 -7.731 -0.059
310 HA HIS 12 HA HIS 12 -8.761 -10.346 0.795
311 HB2 HIS 12 2HB HIS 12 -8.865 -8.916 -1.837
312 HB3 HIS 12 1HB HIS 12 -9.244 -10.627 -1.721
313 HD1 HIS 12 1HD HIS 12 -11.752 -10.193 -2.366
314 HD2 HIS 12 2HD HIS 12 -10.458 -8.225 1.046
315 HE1 HIS 12 1HE HIS 12 -13.822 -9.337 -1.253
316 H VAL 13 H VAL 13 -6.414 -9.165 -1.554
317 HA VAL 13 HA VAL 13 -5.160 -11.817 -1.375
318 HB VAL 13 HB VAL 13 -4.351 -11.421 -3.710
319 HG11 VAL 13 1HG1 VAL 13 -7.338 -11.654 -3.225
320 HG12 VAL 13 2HG1 VAL 13 -6.191 -12.996 -3.223
321 HG13 VAL 13 3HG1 VAL 13 -6.557 -12.143 -4.727
322 HG21 VAL 13 3HG2 VAL 13 -6.512 -9.310 -3.718
323 HG22 VAL 13 1HG2 VAL 13 -5.706 -9.925 -5.162
324 HG23 VAL 13 2HG2 VAL 13 -4.784 -9.048 -3.943
325 H GLY 14 H GLY 14 -4.628 -8.485 -1.983
326 HA2 GLY 14 2HA GLY 14 -2.807 -7.610 -0.429
327 HA3 GLY 14 1HA GLY 14 -1.796 -8.746 -1.269
328 H CYS 15 H CYS 15 -0.926 -6.361 -1.499
329 HA CYS 15 HA CYS 15 -1.419 -5.713 -4.268
330 HB2 CYS 15 2HB CYS 15 -1.736 -3.320 -3.748
331 HB3 CYS 15 1HB CYS 15 -3.074 -4.335 -3.227
332 H THR 16 H THR 16 0.169 -4.186 -5.043
333 HA THR 16 HA THR 16 2.655 -4.666 -3.771
334 HB THR 16 HB THR 16 3.596 -3.385 -5.697
335 HG1 THR 16 1HG THR 16 1.240 -3.529 -7.109
336 HG21 THR 16 3HG2 THR 16 3.393 -5.809 -5.829
337 HG22 THR 16 1HG2 THR 16 3.070 -5.081 -7.402
338 HG23 THR 16 2HG2 THR 16 1.733 -5.655 -6.402
339 H LYS 17 H LYS 17 4.037 -3.049 -3.297
340 HA LYS 17 HA LYS 17 2.958 -0.932 -1.671
341 HB2 LYS 17 2HB LYS 17 5.132 -2.249 -1.397
342 HB3 LYS 17 1HB LYS 17 5.807 -1.274 -2.663
343 HG2 LYS 17 2HG LYS 17 6.432 -0.635 -0.418
344 HG3 LYS 17 1HG LYS 17 5.754 0.687 -1.373
345 HD2 LYS 17 2HD LYS 17 4.874 0.812 0.880
346 HD3 LYS 17 1HD LYS 17 3.572 0.328 -0.186
347 HE2 LYS 17 2HE LYS 17 3.418 -0.993 1.804
348 HE3 LYS 17 1HE LYS 17 4.011 -2.053 0.531
349 HZ1 LYS 17 3HZ LYS 17 6.237 -1.869 1.423
350 HZ2 LYS 17 1HZ LYS 17 5.184 -2.301 2.651
351 HZ3 LYS 17 2HZ LYS 17 5.734 -0.728 2.561
352 H ARG 18 H ARG 18 4.211 -1.071 -4.876
353 HA ARG 18 HA ARG 18 3.962 1.728 -5.344
354 HB2 ARG 18 2HB ARG 18 4.146 -0.574 -7.256
355 HB3 ARG 18 1HB ARG 18 3.827 1.053 -7.828
356 HG2 ARG 18 2HG ARG 18 5.935 1.787 -6.747
357 HG3 ARG 18 1HG ARG 18 6.253 0.104 -6.326
358 HD2 ARG 18 2HD ARG 18 5.870 1.165 -9.124
359 HD3 ARG 18 1HD ARG 18 7.421 0.788 -8.382
360 HE ARG 18 HE ARG 18 6.712 -1.527 -8.279
361 HH11 ARG 18 1HH1 ARG 18 4.867 0.543 -10.530
362 HH12 ARG 18 2HH1 ARG 18 4.430 -0.766 -11.525
363 HH21 ARG 18 1HH2 ARG 18 6.121 -3.263 -9.705
364 HH22 ARG 18 2HH2 ARG 18 5.114 -2.944 -11.042
365 H SER 19 H SER 19 1.669 -0.756 -5.131
366 HA SER 19 HA SER 19 -0.332 0.421 -6.774
367 HB2 SER 19 2HB SER 19 -0.266 -2.023 -6.259
368 HB3 SER 19 1HB SER 19 -0.598 -1.666 -4.575
369 HG SER 19 HG SER 19 -2.508 -0.471 -5.904
370 H LEU 20 H LEU 20 0.500 0.391 -3.333
371 HA LEU 20 HA LEU 20 -1.598 2.332 -2.677
372 HB2 LEU 20 2HB LEU 20 0.940 2.161 -1.032
373 HB3 LEU 20 1HB LEU 20 -0.626 2.664 -0.601
374 HG LEU 20 HG LEU 20 -0.359 0.825 0.579
375 HD11 LEU 20 1HD1 LEU 20 -2.463 0.652 -0.280
376 HD12 LEU 20 2HD1 LEU 20 -1.752 -0.975 -0.253
377 HD13 LEU 20 3HD1 LEU 20 -1.847 -0.082 -1.769
378 HD21 LEU 20 3HD2 LEU 20 0.474 -1.362 -0.186
379 HD22 LEU 20 1HD2 LEU 20 1.651 -0.052 -0.260
380 HD23 LEU 20 2HD2 LEU 20 0.856 -0.612 -1.737
381 H ALA 21 H ALA 21 1.681 2.463 -3.442
382 HA ALA 21 HA ALA 21 2.191 5.183 -3.081
383 HB1 ALA 21 1HB ALA 21 3.889 3.475 -3.692
384 HB2 ALA 21 2HB ALA 21 4.049 5.020 -4.530
385 HB3 ALA 21 3HB ALA 21 3.349 3.636 -5.368
386 H ARG 22 H ARG 22 0.541 3.757 -5.828
387 HA ARG 22 HA ARG 22 0.646 6.218 -7.305
388 HB2 ARG 22 2HB ARG 22 -0.847 5.097 -8.966
389 HB3 ARG 22 1HB ARG 22 0.656 4.254 -8.654
390 HG2 ARG 22 2HG ARG 22 -0.628 2.742 -7.118
391 HG3 ARG 22 1HG ARG 22 -2.101 3.523 -7.703
392 HD2 ARG 22 2HD ARG 22 -1.607 2.857 -9.969
393 HD3 ARG 22 1HD ARG 22 -0.054 2.194 -9.468
394 HE ARG 22 HE ARG 22 -2.621 1.102 -8.519
395 HH11 ARG 22 1HH1 ARG 22 0.596 0.605 -9.990
396 HH12 ARG 22 2HH1 ARG 22 0.484 -1.080 -10.006
397 HH21 ARG 22 1HH2 ARG 22 -2.755 -1.239 -8.536
398 HH22 ARG 22 2HH2 ARG 22 -1.473 -2.168 -9.152
399 H PHE 23 H PHE 23 -1.161 5.309 -4.775
400 HA PHE 23 HA PHE 23 -3.240 7.278 -5.459
401 HB2 PHE 23 2HB PHE 23 -3.370 4.994 -3.469
402 HB3 PHE 23 1HB PHE 23 -4.611 6.225 -3.652
403 HD1 PHE 23 2HD PHE 23 -5.839 6.374 -5.837
404 HD2 PHE 23 1HD PHE 23 -3.327 3.104 -4.835
405 HE1 PHE 23 2HE PHE 23 -6.928 5.013 -7.564
406 HE2 PHE 23 1HE PHE 23 -4.410 1.734 -6.551
407 HZ PHE 23 HZ PHE 23 -6.219 2.681 -7.923
408 H CYS 24 H CYS 24 -1.571 5.904 -2.766
409 HA CYS 24 HA CYS 24 -0.402 8.330 -1.920
410 HB2 CYS 24 2HB CYS 24 -2.690 8.765 -1.035
411 HB3 CYS 24 1HB CYS 24 -2.630 7.243 -0.163
412 HN1 NH2 25 HT1 CYS 24 1.404 7.226 -1.924
413 HN2 NH2 25 HT2 CYS 24 1.721 5.839 -0.939
Start of MODEL 18
1 H1 ASP 1 1HT ASP 1 9.852 -5.097 1.144
2 H2 ASP 1 2HT ASP 1 9.986 -5.069 2.819
3 H3 ASP 1 3HT ASP 1 11.353 -4.875 1.867
4 HA ASP 1 HA ASP 1 9.123 -2.942 2.008
5 HB2 ASP 1 2HB ASP 1 11.917 -2.902 3.023
6 HB3 ASP 1 1HB ASP 1 10.854 -1.497 2.914
7 H SER 2 H SER 2 10.627 -4.306 -0.215
8 HA SER 2 HA SER 2 12.276 -2.341 -1.434
9 HB2 SER 2 2HB SER 2 10.797 -4.622 -2.745
10 HB3 SER 2 1HB SER 2 12.180 -3.755 -3.395
11 HG SER 2 HG SER 2 13.177 -4.470 -1.254
12 H TRP 3 H TRP 3 11.732 -1.066 -3.262
13 HA TRP 3 HA TRP 3 8.959 -0.243 -3.156
14 HB2 TRP 3 2HB TRP 3 11.319 1.156 -4.408
15 HB3 TRP 3 1HB TRP 3 9.666 1.751 -4.482
16 HD1 TRP 3 HD TRP 3 12.580 2.616 -2.738
17 HE1 TRP 3 1HE TRP 3 12.136 3.539 -0.386
18 HE3 TRP 3 3HE TRP 3 7.802 0.940 -2.093
19 HZ2 TRP 3 2HZ TRP 3 10.056 3.529 1.508
20 HZ3 TRP 3 3HZ TRP 3 6.675 1.402 -0.023
21 HH2 TRP 3 HH TRP 3 7.758 2.684 1.777
22 H MET 4 H MET 4 11.322 -1.206 -5.589
23 HA MET 4 HA MET 4 9.625 -0.817 -7.790
24 HB2 MET 4 2HB MET 4 11.988 -2.656 -7.497
25 HB3 MET 4 1HB MET 4 11.143 -2.401 -9.017
26 HG2 MET 4 2HG MET 4 11.701 0.013 -8.849
27 HG3 MET 4 1HG MET 4 12.640 -0.344 -7.406
28 HE1 MET 4 3HE MET 4 15.536 -2.579 -8.834
29 HE2 MET 4 1HE MET 4 14.008 -3.159 -8.170
30 HE3 MET 4 2HE MET 4 14.849 -1.817 -7.398
31 H GLU 5 H GLU 5 10.267 -3.805 -5.972
32 HA GLU 5 HA GLU 5 7.631 -4.616 -6.824
33 HB2 GLU 5 2HB GLU 5 9.349 -5.802 -8.222
34 HB3 GLU 5 1HB GLU 5 9.940 -6.547 -6.743
35 HG2 GLU 5 2HG GLU 5 7.768 -7.565 -6.358
36 HG3 GLU 5 1HG GLU 5 7.148 -6.811 -7.821
37 H GLU 6 H GLU 6 6.433 -4.985 -5.118
38 HA GLU 6 HA GLU 6 7.284 -6.621 -2.988
39 HB2 GLU 6 2HB GLU 6 8.164 -4.147 -2.453
40 HB3 GLU 6 1HB GLU 6 6.438 -3.913 -2.206
41 HG2 GLU 6 2HG GLU 6 7.541 -4.317 -0.097
42 HG3 GLU 6 1HG GLU 6 6.350 -5.558 -0.484
43 H VAL 7 H VAL 7 5.513 -7.093 -1.753
44 HA VAL 7 HA VAL 7 2.950 -5.992 -2.344
45 HB VAL 7 HB VAL 7 3.112 -7.538 -4.238
46 HG11 VAL 7 1HG1 VAL 7 4.774 -9.076 -3.388
47 HG12 VAL 7 2HG1 VAL 7 3.359 -9.943 -3.977
48 HG13 VAL 7 3HG1 VAL 7 3.601 -9.728 -2.243
49 HG21 VAL 7 3HG2 VAL 7 1.263 -8.641 -2.123
50 HG22 VAL 7 1HG2 VAL 7 1.124 -8.938 -3.855
51 HG23 VAL 7 2HG2 VAL 7 0.909 -7.308 -3.219
52 H ILE 8 H ILE 8 1.629 -6.173 -0.668
53 HA ILE 8 HA ILE 8 2.244 -8.105 1.422
54 HB ILE 8 HB ILE 8 1.907 -6.472 3.212
55 HG12 ILE 8 2HG1 ILE 8 0.506 -4.801 1.948
56 HG13 ILE 8 1HG1 ILE 8 1.761 -4.074 2.932
57 HG21 ILE 8 1HG2 ILE 8 4.139 -5.643 1.400
58 HG22 ILE 8 2HG2 ILE 8 4.166 -6.915 2.619
59 HG23 ILE 8 3HG2 ILE 8 3.999 -5.230 3.110
60 HD11 ILE 8 3HD1 ILE 8 1.540 -2.928 0.812
61 HD12 ILE 8 1HD1 ILE 8 1.818 -4.435 -0.063
62 HD13 ILE 8 2HD1 ILE 8 3.110 -3.726 0.904
63 H LYS 9 H LYS 9 0.355 -8.332 2.915
64 HA LYS 9 HA LYS 9 -2.059 -7.440 1.569
65 HB2 LYS 9 2HB LYS 9 -3.225 -9.538 2.183
66 HB3 LYS 9 1HB LYS 9 -1.912 -9.789 1.054
67 HG2 LYS 9 2HG LYS 9 -0.511 -10.538 3.008
68 HG3 LYS 9 1HG LYS 9 -1.967 -10.443 3.990
69 HD2 LYS 9 2HD LYS 9 -1.604 -12.186 1.542
70 HD3 LYS 9 1HD LYS 9 -1.569 -12.738 3.214
71 HE2 LYS 9 2HE LYS 9 -3.948 -11.477 1.828
72 HE3 LYS 9 1HE LYS 9 -3.724 -13.196 2.117
73 HZ1 LYS 9 3HZ LYS 9 -5.158 -12.250 3.774
74 HZ2 LYS 9 1HZ LYS 9 -3.995 -11.112 4.226
75 HZ3 LYS 9 2HZ LYS 9 -3.724 -12.746 4.501
76 H LEU 10 H LEU 10 -2.234 -5.736 2.798
77 HA LEU 10 HA LEU 10 -2.794 -6.129 5.661
78 HB2 LEU 10 2HB LEU 10 -1.626 -3.850 4.126
79 HB3 LEU 10 1HB LEU 10 -2.539 -3.520 5.563
80 HG LEU 10 HG LEU 10 -1.012 -4.688 6.947
81 HD11 LEU 10 1HD1 LEU 10 -0.367 -6.540 5.462
82 HD12 LEU 10 2HD1 LEU 10 1.070 -5.725 6.082
83 HD13 LEU 10 3HD1 LEU 10 0.518 -5.413 4.435
84 HD21 LEU 10 3HD2 LEU 10 0.525 -2.979 5.008
85 HD22 LEU 10 1HD2 LEU 10 1.009 -3.349 6.658
86 HD23 LEU 10 2HD2 LEU 10 -0.439 -2.379 6.348
87 H CYS 11 H CYS 11 -4.226 -4.285 6.413
88 HA CYS 11 HA CYS 11 -6.408 -3.803 4.532
89 HB2 CYS 11 2HB CYS 11 -7.004 -5.109 7.187
90 HB3 CYS 11 1HB CYS 11 -8.115 -4.737 5.876
91 H GLY 12 H GLY 12 -8.004 -2.307 5.467
92 HA2 GLY 12 2HA GLY 12 -8.617 -0.379 6.554
93 HA3 GLY 12 1HA GLY 12 -8.092 -1.254 7.962
94 H ARG 13 H ARG 13 -6.983 -0.079 9.145
95 HA ARG 13 HA ARG 13 -5.681 2.266 8.245
96 HB2 ARG 13 2HB ARG 13 -5.874 1.009 10.964
97 HB3 ARG 13 1HB ARG 13 -4.953 2.475 10.664
98 HG2 ARG 13 2HG ARG 13 -7.892 2.161 10.068
99 HG3 ARG 13 1HG ARG 13 -7.236 2.902 11.529
100 HD2 ARG 13 2HD ARG 13 -6.123 4.593 10.186
101 HD3 ARG 13 1HD ARG 13 -6.723 3.858 8.706
102 HE ARG 13 HE ARG 13 -8.987 4.341 9.898
103 HH11 ARG 13 1HH1 ARG 13 -6.130 6.429 9.822
104 HH12 ARG 13 2HH1 ARG 13 -7.002 7.883 9.788
105 HH21 ARG 13 1HH2 ARG 13 -10.222 6.394 9.830
106 HH22 ARG 13 2HH2 ARG 13 -9.368 7.854 9.755
107 H GLU 14 H GLU 14 -4.572 -0.988 8.582
108 HA GLU 14 HA GLU 14 -1.841 -0.264 8.940
109 HB2 GLU 14 2HB GLU 14 -3.172 -2.747 7.854
110 HB3 GLU 14 1HB GLU 14 -1.437 -2.588 8.068
111 HG2 GLU 14 2HG GLU 14 -3.517 -2.470 10.240
112 HG3 GLU 14 1HG GLU 14 -2.439 -3.822 9.900
113 H LEU 15 H LEU 15 -4.009 -0.725 6.276
114 HA LEU 15 HA LEU 15 -2.175 -0.501 4.124
115 HB2 LEU 15 2HB LEU 15 -5.014 0.470 4.302
116 HB3 LEU 15 1HB LEU 15 -4.087 0.343 2.824
117 HG LEU 15 HG LEU 15 -4.756 -2.006 4.568
118 HD11 LEU 15 1HD1 LEU 15 -6.447 -2.478 2.862
119 HD12 LEU 15 2HD1 LEU 15 -6.125 -0.888 2.139
120 HD13 LEU 15 3HD1 LEU 15 -6.783 -1.013 3.771
121 HD21 LEU 15 3HD2 LEU 15 -3.826 -1.800 1.715
122 HD22 LEU 15 1HD2 LEU 15 -4.215 -3.260 2.626
123 HD23 LEU 15 2HD2 LEU 15 -2.828 -2.276 3.103
124 H VAL 16 H VAL 16 -4.013 1.885 5.949
125 HA VAL 16 HA VAL 16 -3.070 4.174 4.497
126 HB VAL 16 HB VAL 16 -4.013 4.102 7.388
127 HG11 VAL 16 1HG1 VAL 16 -3.929 6.374 5.407
128 HG12 VAL 16 2HG1 VAL 16 -2.901 6.184 6.828
129 HG13 VAL 16 3HG1 VAL 16 -4.635 6.445 7.021
130 HG21 VAL 16 3HG2 VAL 16 -5.627 4.514 4.877
131 HG22 VAL 16 1HG2 VAL 16 -6.231 4.683 6.527
132 HG23 VAL 16 2HG2 VAL 16 -5.687 3.110 5.944
133 H ARG 17 H ARG 17 -2.011 2.637 7.475
134 HA ARG 17 HA ARG 17 0.120 4.327 8.061
135 HB2 ARG 17 2HB ARG 17 -0.443 1.459 8.679
136 HB3 ARG 17 1HB ARG 17 1.057 2.182 9.214
137 HG2 ARG 17 2HG ARG 17 -0.194 3.845 10.488
138 HG3 ARG 17 1HG ARG 17 -1.710 3.160 9.898
139 HD2 ARG 17 2HD ARG 17 -1.280 1.093 11.037
140 HD3 ARG 17 1HD ARG 17 0.340 1.632 11.482
141 HE ARG 17 HE ARG 17 -1.226 3.518 12.552
142 HH11 ARG 17 1HH1 ARG 17 -1.471 -0.021 12.764
143 HH12 ARG 17 2HH1 ARG 17 -1.961 0.007 14.394
144 HH21 ARG 17 1HH2 ARG 17 -1.926 3.518 14.760
145 HH22 ARG 17 2HH2 ARG 17 -2.246 2.051 15.557
146 H ALA 18 H ALA 18 -0.047 1.543 6.005
147 HA ALA 18 HA ALA 18 2.677 1.479 5.298
148 HB1 ALA 18 1HB ALA 18 1.969 0.114 3.386
149 HB2 ALA 18 2HB ALA 18 0.292 0.568 3.684
150 HB3 ALA 18 3HB ALA 18 1.162 -0.406 4.868
151 H GLN 19 H GLN 19 -0.135 2.812 3.626
152 HA GLN 19 HA GLN 19 0.969 3.972 1.396
153 HB2 GLN 19 2HB GLN 19 -1.359 4.515 3.133
154 HB3 GLN 19 1HB GLN 19 -1.081 5.649 1.846
155 HG2 GLN 19 2HG GLN 19 -1.252 3.857 0.226
156 HG3 GLN 19 1HG GLN 19 -1.352 2.668 1.534
157 HE21 GLN 19 1HE2 GLN 19 -3.283 1.894 0.759
158 HE22 GLN 19 2HE2 GLN 19 -4.758 2.785 0.916
159 H ILE 20 H ILE 20 0.294 5.632 4.446
160 HA ILE 20 HA ILE 20 1.469 8.090 3.749
161 HB ILE 20 HB ILE 20 1.112 6.926 6.529
162 HG12 ILE 20 2HG1 ILE 20 -1.021 7.038 5.358
163 HG13 ILE 20 1HG1 ILE 20 -0.970 8.266 6.613
164 HG21 ILE 20 1HG2 ILE 20 2.678 8.780 6.588
165 HG22 ILE 20 2HG2 ILE 20 1.153 9.250 7.340
166 HG23 ILE 20 3HG2 ILE 20 1.539 9.800 5.710
167 HD11 ILE 20 3HD1 ILE 20 -2.012 9.131 4.611
168 HD12 ILE 20 1HD1 ILE 20 -0.588 8.716 3.655
169 HD13 ILE 20 2HD1 ILE 20 -0.481 9.959 4.900
170 H ALA 21 H ALA 21 2.878 5.234 5.295
171 HA ALA 21 HA ALA 21 5.371 6.467 5.860
172 HB1 ALA 21 1HB ALA 21 4.751 3.536 5.556
173 HB2 ALA 21 2HB ALA 21 4.620 4.463 7.050
174 HB3 ALA 21 3HB ALA 21 6.198 4.218 6.299
175 H ILE 22 H ILE 22 4.058 4.880 3.056
176 HA ILE 22 HA ILE 22 6.489 4.472 1.665
177 HB ILE 22 HB ILE 22 3.726 4.983 0.520
178 HG12 ILE 22 2HG1 ILE 22 5.220 2.405 0.970
179 HG13 ILE 22 1HG1 ILE 22 3.898 2.991 1.967
180 HG21 ILE 22 1HG2 ILE 22 6.206 3.872 -0.804
181 HG22 ILE 22 2HG2 ILE 22 5.469 5.444 -1.124
182 HG23 ILE 22 3HG2 ILE 22 4.599 3.962 -1.527
183 HD11 ILE 22 3HD1 ILE 22 3.721 2.225 -0.937
184 HD12 ILE 22 1HD1 ILE 22 2.401 2.860 0.046
185 HD13 ILE 22 2HD1 ILE 22 3.118 1.295 0.438
186 H CYS 23 H CYS 23 4.164 7.113 1.666
187 HA CYS 23 HA CYS 23 5.668 8.717 -0.167
188 HB2 CYS 23 2HB CYS 23 3.419 9.257 1.713
189 HB3 CYS 23 1HB CYS 23 4.158 10.546 0.780
190 H GLY 24 H GLY 24 5.642 8.308 3.184
191 HA2 GLY 24 2HA GLY 24 7.254 10.544 3.882
192 HA3 GLY 24 1HA GLY 24 7.056 9.090 4.853
193 H MET 25 H MET 25 7.980 7.224 2.920
194 HA MET 25 HA MET 25 10.835 7.773 3.167
195 HB2 MET 25 2HB MET 25 9.362 5.178 2.824
196 HB3 MET 25 1HB MET 25 11.115 5.309 2.829
197 HG2 MET 25 2HG MET 25 11.004 6.220 5.109
198 HG3 MET 25 1HG MET 25 9.255 6.005 5.082
199 HE1 MET 25 3HE MET 25 8.905 2.100 4.904
200 HE2 MET 25 1HE MET 25 8.936 3.208 3.533
201 HE3 MET 25 2HE MET 25 8.048 3.639 4.992
202 H SER 26 H SER 26 9.166 8.725 1.017
203 HA SER 26 HA SER 26 10.225 7.328 -1.307
204 HB2 SER 26 2HB SER 26 8.439 9.757 -1.058
205 HB3 SER 26 1HB SER 26 8.993 9.117 -2.611
206 HG SER 26 HG SER 26 7.701 7.447 -0.725
207 H THR 27 H THR 27 12.055 8.452 0.523
208 HA THR 27 HA THR 27 13.227 10.822 -0.533
209 HB THR 27 HB THR 27 14.468 8.751 1.285
210 HG1 THR 27 1HG THR 27 12.744 10.916 1.965
211 HG21 THR 27 3HG2 THR 27 14.841 11.757 1.121
212 HG22 THR 27 1HG2 THR 27 15.980 10.549 0.524
213 HG23 THR 27 2HG2 THR 27 15.659 10.679 2.253
214 H TRP 28 H TRP 28 13.189 7.669 -1.229
215 HA TRP 28 HA TRP 28 15.041 7.937 -3.433
216 HB2 TRP 28 2HB TRP 28 16.110 5.722 -3.024
217 HB3 TRP 28 1HB TRP 28 16.447 6.833 -1.708
218 HD1 TRP 28 HD TRP 28 14.795 3.504 -2.477
219 HE1 TRP 28 1HE TRP 28 14.075 2.376 -0.265
220 HE3 TRP 28 3HE TRP 28 15.644 7.366 0.723
221 HZ2 TRP 28 2HZ TRP 28 13.878 3.044 2.446
222 HZ3 TRP 28 3HZ TRP 28 15.160 7.052 3.125
223 HH2 TRP 28 HH TRP 28 14.299 4.927 3.963
224 H SER 29 H SER 29 14.482 6.515 -5.168
225 HA SER 29 HA SER 29 11.740 5.516 -4.887
226 HB2 SER 29 2HB SER 29 13.128 6.557 -7.355
227 HB3 SER 29 1HB SER 29 11.440 6.054 -7.242
228 HG SER 29 HG SER 29 12.431 7.991 -5.494
229 HN1 NH2 30 HT1 SER 29 12.227 3.441 -4.394
230 HN2 NH2 30 HT2 SER 29 13.111 2.361 -5.418
231 HA PCA 1 HA PCA 1 -14.292 4.152 -3.187
232 HB2 PCA 1 2HB PCA 1 -14.996 2.041 -4.963
233 HB3 PCA 1 1HB PCA 1 -16.114 2.888 -3.854
234 HG2 PCA 1 2HG PCA 1 -16.049 3.020 -6.724
235 HG3 PCA 1 1HG PCA 1 -17.074 4.002 -5.620
236 H LEU 2 H LEU 2 -12.440 5.058 -5.092
237 HA LEU 2 HA LEU 2 -10.829 3.105 -6.332
238 HB2 LEU 2 2HB LEU 2 -10.722 5.495 -6.848
239 HB3 LEU 2 1HB LEU 2 -10.018 5.808 -5.278
240 HG LEU 2 HG LEU 2 -8.032 4.478 -5.956
241 HD11 LEU 2 1HD1 LEU 2 -7.706 3.969 -8.324
242 HD12 LEU 2 2HD1 LEU 2 -9.369 4.459 -8.648
243 HD13 LEU 2 3HD1 LEU 2 -9.046 3.056 -7.630
244 HD21 LEU 2 3HD2 LEU 2 -7.123 6.174 -7.475
245 HD22 LEU 2 1HD2 LEU 2 -8.014 6.897 -6.134
246 HD23 LEU 2 2HD2 LEU 2 -8.753 6.799 -7.733
247 H TYR 3 H TYR 3 -10.370 4.703 -3.261
248 HA TYR 3 HA TYR 3 -8.012 3.274 -2.537
249 HB2 TYR 3 2HB TYR 3 -9.931 4.968 -0.988
250 HB3 TYR 3 1HB TYR 3 -8.563 4.188 -0.225
251 HD1 TYR 3 1HD TYR 3 -9.573 6.672 -2.789
252 HD2 TYR 3 2HD TYR 3 -6.357 5.118 -0.482
253 HE1 TYR 3 1HE TYR 3 -8.163 8.540 -3.512
254 HE2 TYR 3 2HE TYR 3 -4.938 6.980 -1.197
255 HH TYR 3 HH TYR 3 -6.187 9.734 -2.725
256 H SER 4 H SER 4 -11.308 3.075 -1.522
257 HA SER 4 HA SER 4 -11.177 0.922 0.198
258 HB2 SER 4 2HB SER 4 -13.442 1.659 -1.657
259 HB3 SER 4 1HB SER 4 -13.583 0.752 -0.147
260 HG SER 4 HG SER 4 -14.020 3.094 -0.068
261 H ALA 5 H ALA 5 -11.321 0.919 -3.332
262 HA ALA 5 HA ALA 5 -11.773 -1.857 -3.643
263 HB1 ALA 5 1HB ALA 5 -10.429 0.062 -5.548
264 HB2 ALA 5 2HB ALA 5 -12.162 -0.215 -5.433
265 HB3 ALA 5 3HB ALA 5 -11.100 -1.519 -5.964
266 H LEU 6 H LEU 6 -8.837 0.125 -3.580
267 HA LEU 6 HA LEU 6 -6.966 -1.956 -3.922
268 HB2 LEU 6 2HB LEU 6 -6.308 0.413 -4.079
269 HB3 LEU 6 1HB LEU 6 -6.700 0.653 -2.390
270 HG LEU 6 HG LEU 6 -4.872 -0.925 -1.788
271 HD11 LEU 6 1HD1 LEU 6 -4.217 -0.772 -4.717
272 HD12 LEU 6 2HD1 LEU 6 -4.726 -2.206 -3.820
273 HD13 LEU 6 3HD1 LEU 6 -3.171 -1.450 -3.473
274 HD21 LEU 6 3HD2 LEU 6 -4.475 1.480 -1.715
275 HD22 LEU 6 1HD2 LEU 6 -4.017 1.474 -3.414
276 HD23 LEU 6 2HD2 LEU 6 -3.017 0.642 -2.226
277 H ALA 7 H ALA 7 -8.527 -0.582 -1.119
278 HA ALA 7 HA ALA 7 -7.250 -1.976 0.904
279 HB1 ALA 7 1HB ALA 7 -8.775 -0.090 1.296
280 HB2 ALA 7 2HB ALA 7 -9.204 -1.493 2.276
281 HB3 ALA 7 3HB ALA 7 -10.137 -1.107 0.830
282 H ASN 8 H ASN 8 -10.237 -2.822 -0.789
283 HA ASN 8 HA ASN 8 -10.661 -5.297 0.475
284 HB2 ASN 8 2HB ASN 8 -11.472 -4.418 -2.306
285 HB3 ASN 8 1HB ASN 8 -12.032 -5.897 -1.538
286 HD21 ASN 8 1HD2 ASN 8 -13.489 -3.553 -2.485
287 HD22 ASN 8 2HD2 ASN 8 -14.382 -2.963 -1.142
288 H LYS 9 H LYS 9 -9.024 -4.545 -2.542
289 HA LYS 9 HA LYS 9 -8.393 -7.184 -3.331
290 HB2 LYS 9 2HB LYS 9 -8.240 -4.945 -4.662
291 HB3 LYS 9 1HB LYS 9 -6.709 -4.746 -3.861
292 HG2 LYS 9 2HG LYS 9 -5.887 -6.829 -4.894
293 HG3 LYS 9 1HG LYS 9 -7.416 -6.970 -5.771
294 HD2 LYS 9 2HD LYS 9 -7.001 -4.689 -6.700
295 HD3 LYS 9 1HD LYS 9 -5.397 -4.732 -5.977
296 HE2 LYS 9 2HE LYS 9 -5.162 -5.328 -8.273
297 HE3 LYS 9 1HE LYS 9 -4.966 -6.808 -7.343
298 HZ1 LYS 9 3HZ LYS 9 -7.455 -5.966 -8.701
299 HZ2 LYS 9 1HZ LYS 9 -7.241 -7.416 -7.884
300 HZ3 LYS 9 2HZ LYS 9 -6.385 -7.115 -9.299
301 H CYS 10 H CYS 10 -6.562 -4.856 -1.427
302 HA CYS 10 HA CYS 10 -4.275 -6.547 -1.099
303 HB2 CYS 10 2HB CYS 10 -4.452 -3.972 -0.873
304 HB3 CYS 10 1HB CYS 10 -5.103 -4.308 0.716
305 H CYS 11 H CYS 11 -7.257 -6.026 0.676
306 HA CYS 11 HA CYS 11 -6.350 -7.418 2.961
307 HB2 CYS 11 2HB CYS 11 -8.271 -5.676 2.757
308 HB3 CYS 11 1HB CYS 11 -9.241 -7.040 2.233
309 H HIS 12 H HIS 12 -7.947 -8.322 -0.049
310 HA HIS 12 HA HIS 12 -8.503 -10.980 0.913
311 HB2 HIS 12 2HB HIS 12 -8.879 -9.641 -1.747
312 HB3 HIS 12 1HB HIS 12 -9.072 -11.379 -1.573
313 HD1 HIS 12 1HD HIS 12 -11.420 -12.056 -1.121
314 HD2 HIS 12 2HD HIS 12 -10.602 -8.225 0.217
315 HE1 HIS 12 1HE HIS 12 -13.611 -11.155 -0.225
316 H VAL 13 H VAL 13 -6.395 -9.668 -1.604
317 HA VAL 13 HA VAL 13 -4.865 -12.148 -1.353
318 HB VAL 13 HB VAL 13 -4.077 -11.753 -3.703
319 HG11 VAL 13 1HG1 VAL 13 -7.056 -12.050 -3.294
320 HG12 VAL 13 2HG1 VAL 13 -5.873 -13.356 -3.182
321 HG13 VAL 13 3HG1 VAL 13 -6.190 -12.576 -4.738
322 HG21 VAL 13 3HG2 VAL 13 -4.592 -9.389 -3.971
323 HG22 VAL 13 1HG2 VAL 13 -6.314 -9.719 -3.757
324 HG23 VAL 13 2HG2 VAL 13 -5.470 -10.332 -5.176
325 H GLY 14 H GLY 14 -4.473 -8.769 -2.175
326 HA2 GLY 14 2HA GLY 14 -2.752 -7.918 -0.377
327 HA3 GLY 14 1HA GLY 14 -1.687 -8.847 -1.411
328 H CYS 15 H CYS 15 -1.085 -6.350 -1.249
329 HA CYS 15 HA CYS 15 -1.898 -5.312 -3.836
330 HB2 CYS 15 2HB CYS 15 -1.843 -3.043 -2.862
331 HB3 CYS 15 1HB CYS 15 -3.205 -4.027 -2.372
332 H THR 16 H THR 16 -0.352 -3.985 -4.815
333 HA THR 16 HA THR 16 2.268 -4.695 -3.964
334 HB THR 16 HB THR 16 2.901 -3.538 -6.147
335 HG1 THR 16 1HG THR 16 0.972 -3.501 -7.569
336 HG21 THR 16 3HG2 THR 16 2.128 -5.442 -7.508
337 HG22 THR 16 1HG2 THR 16 1.007 -5.889 -6.223
338 HG23 THR 16 2HG2 THR 16 2.746 -5.969 -5.943
339 H LYS 17 H LYS 17 3.800 -3.268 -3.567
340 HA LYS 17 HA LYS 17 3.047 -1.170 -1.773
341 HB2 LYS 17 2HB LYS 17 5.127 -2.664 -1.902
342 HB3 LYS 17 1HB LYS 17 5.789 -1.458 -3.003
343 HG2 LYS 17 2HG LYS 17 6.649 -1.046 -0.907
344 HG3 LYS 17 1HG LYS 17 5.407 0.199 -1.157
345 HD2 LYS 17 2HD LYS 17 3.852 -1.071 0.226
346 HD3 LYS 17 1HD LYS 17 5.032 -2.372 0.393
347 HE2 LYS 17 2HE LYS 17 6.561 -0.795 1.514
348 HE3 LYS 17 1HE LYS 17 5.320 0.449 1.395
349 HZ1 LYS 17 3HZ LYS 17 5.380 -0.612 3.548
350 HZ2 LYS 17 1HZ LYS 17 5.054 -2.099 2.878
351 HZ3 LYS 17 2HZ LYS 17 3.893 -0.883 2.847
352 H ARG 18 H ARG 18 4.192 -1.109 -5.093
353 HA ARG 18 HA ARG 18 4.301 1.719 -5.289
354 HB2 ARG 18 2HB ARG 18 4.022 -0.393 -7.416
355 HB3 ARG 18 1HB ARG 18 4.215 1.316 -7.764
356 HG2 ARG 18 2HG ARG 18 6.376 1.309 -6.649
357 HG3 ARG 18 1HG ARG 18 6.192 -0.401 -6.272
358 HD2 ARG 18 2HD ARG 18 7.595 -0.112 -8.229
359 HD3 ARG 18 1HD ARG 18 6.079 -0.895 -8.680
360 HE ARG 18 HE ARG 18 6.212 1.981 -8.927
361 HH11 ARG 18 1HH1 ARG 18 6.443 -1.146 -10.637
362 HH12 ARG 18 2HH1 ARG 18 6.132 -0.463 -12.157
363 HH21 ARG 18 1HH2 ARG 18 5.803 2.868 -11.047
364 HH22 ARG 18 2HH2 ARG 18 5.754 1.838 -12.399
365 H SER 19 H SER 19 1.730 -0.538 -5.395
366 HA SER 19 HA SER 19 -0.074 1.177 -6.769
367 HB2 SER 19 2HB SER 19 -0.295 -1.272 -6.814
368 HB3 SER 19 1HB SER 19 -0.627 -1.328 -5.102
369 HG SER 19 HG SER 19 -2.192 0.213 -6.927
370 H LEU 20 H LEU 20 0.569 0.320 -3.361
371 HA LEU 20 HA LEU 20 -1.401 2.229 -2.432
372 HB2 LEU 20 2HB LEU 20 0.909 1.588 -0.583
373 HB3 LEU 20 1HB LEU 20 -0.699 2.023 -0.254
374 HG LEU 20 HG LEU 20 -1.420 -0.274 -1.097
375 HD11 LEU 20 1HD1 LEU 20 0.724 -0.896 -2.081
376 HD12 LEU 20 2HD1 LEU 20 0.227 -2.001 -0.802
377 HD13 LEU 20 3HD1 LEU 20 1.465 -0.785 -0.483
378 HD21 LEU 20 3HD2 LEU 20 -1.533 0.470 1.228
379 HD22 LEU 20 1HD2 LEU 20 0.174 0.042 1.412
380 HD23 LEU 20 2HD2 LEU 20 -1.016 -1.220 1.101
381 H ALA 21 H ALA 21 1.842 2.366 -3.310
382 HA ALA 21 HA ALA 21 2.495 4.959 -2.362
383 HB1 ALA 21 1HB ALA 21 4.159 3.338 -3.334
384 HB2 ALA 21 2HB ALA 21 4.297 4.981 -3.956
385 HB3 ALA 21 3HB ALA 21 3.512 3.738 -4.925
386 H ARG 22 H ARG 22 0.977 3.857 -5.278
387 HA ARG 22 HA ARG 22 0.746 6.335 -6.579
388 HB2 ARG 22 2HB ARG 22 0.567 4.219 -7.748
389 HB3 ARG 22 1HB ARG 22 -0.828 3.770 -6.795
390 HG2 ARG 22 2HG ARG 22 -1.486 4.390 -9.032
391 HG3 ARG 22 1HG ARG 22 -2.122 5.542 -7.860
392 HD2 ARG 22 2HD ARG 22 0.424 6.021 -9.380
393 HD3 ARG 22 1HD ARG 22 -1.145 6.483 -10.034
394 HE ARG 22 HE ARG 22 -1.081 7.595 -7.557
395 HH11 ARG 22 1HH1 ARG 22 1.071 7.763 -10.330
396 HH12 ARG 22 2HH1 ARG 22 1.544 9.378 -10.062
397 HH21 ARG 22 1HH2 ARG 22 -0.417 9.782 -7.132
398 HH22 ARG 22 2HH2 ARG 22 0.685 10.558 -8.168
399 H PHE 23 H PHE 23 -1.081 4.762 -4.149
400 HA PHE 23 HA PHE 23 -3.313 6.593 -4.427
401 HB2 PHE 23 2HB PHE 23 -2.836 4.226 -2.634
402 HB3 PHE 23 1HB PHE 23 -4.192 5.315 -2.372
403 HD1 PHE 23 1HD PHE 23 -2.713 3.861 -5.486
404 HD2 PHE 23 2HD PHE 23 -6.117 4.246 -2.992
405 HE1 PHE 23 1HE PHE 23 -4.027 2.589 -7.112
406 HE2 PHE 23 2HE PHE 23 -7.440 2.967 -4.616
407 HZ PHE 23 HZ PHE 23 -6.397 2.140 -6.679
408 H CYS 24 H CYS 24 -1.312 5.655 -1.774
409 HA CYS 24 HA CYS 24 -0.331 6.730 -0.066
410 HB2 CYS 24 2HB CYS 24 0.671 8.068 -1.909
411 HB3 CYS 24 1HB CYS 24 -0.619 9.245 -1.715
412 HN1 NH2 25 HT1 CYS 24 -2.624 9.257 -1.047
413 HN2 NH2 25 HT2 CYS 24 -3.415 9.370 0.486
Start of MODEL 19
1 H1 ASP 1 1HT ASP 1 13.158 2.574 -5.486
2 H2 ASP 1 2HT ASP 1 11.606 2.644 -4.742
3 H3 ASP 1 3HT ASP 1 12.042 3.742 -5.902
4 HA ASP 1 HA ASP 1 10.502 2.130 -6.690
5 HB2 ASP 1 2HB ASP 1 13.146 2.412 -8.111
6 HB3 ASP 1 1HB ASP 1 11.669 1.829 -8.874
7 H SER 2 H SER 2 13.640 0.657 -5.993
8 HA SER 2 HA SER 2 12.962 -1.886 -6.925
9 HB2 SER 2 2HB SER 2 14.891 -1.097 -4.742
10 HB3 SER 2 1HB SER 2 14.781 -2.727 -5.406
11 HG SER 2 HG SER 2 15.795 -2.132 -7.074
12 H TRP 3 H TRP 3 12.230 -0.380 -4.172
13 HA TRP 3 HA TRP 3 11.090 -2.708 -2.812
14 HB2 TRP 3 2HB TRP 3 10.600 -1.045 -0.945
15 HB3 TRP 3 1HB TRP 3 12.291 -1.290 -1.337
16 HD1 TRP 3 HD TRP 3 13.686 0.853 -1.833
17 HE1 TRP 3 1HE TRP 3 13.126 3.338 -2.149
18 HE3 TRP 3 3HE TRP 3 8.582 0.581 -1.951
19 HZ2 TRP 3 2HZ TRP 3 10.866 4.965 -2.427
20 HZ3 TRP 3 3HZ TRP 3 7.321 2.561 -2.275
21 HH2 TRP 3 HH TRP 3 8.412 4.778 -2.492
22 H MET 4 H MET 4 10.040 -0.573 -5.073
23 HA MET 4 HA MET 4 7.424 0.026 -3.981
24 HB2 MET 4 2HB MET 4 8.717 1.687 -5.252
25 HB3 MET 4 1HB MET 4 8.664 0.655 -6.666
26 HG2 MET 4 2HG MET 4 6.304 0.950 -6.835
27 HG3 MET 4 1HG MET 4 6.263 1.905 -5.347
28 HE1 MET 4 3HE MET 4 4.990 2.921 -8.109
29 HE2 MET 4 1HE MET 4 5.548 4.594 -8.139
30 HE3 MET 4 2HE MET 4 4.978 3.882 -6.630
31 H GLU 5 H GLU 5 8.887 -2.369 -5.829
32 HA GLU 5 HA GLU 5 6.498 -3.259 -7.203
33 HB2 GLU 5 2HB GLU 5 9.342 -4.246 -7.100
34 HB3 GLU 5 1HB GLU 5 8.072 -5.083 -7.980
35 HG2 GLU 5 2HG GLU 5 8.813 -2.215 -8.476
36 HG3 GLU 5 1HG GLU 5 9.522 -3.569 -9.354
37 H GLU 6 H GLU 6 7.001 -3.306 -4.157
38 HA GLU 6 HA GLU 6 7.080 -6.046 -3.424
39 HB2 GLU 6 2HB GLU 6 7.920 -3.889 -2.153
40 HB3 GLU 6 1HB GLU 6 6.240 -3.745 -1.748
41 HG2 GLU 6 2HG GLU 6 6.189 -5.852 -0.611
42 HG3 GLU 6 1HG GLU 6 7.857 -6.182 -1.081
43 H VAL 7 H VAL 7 5.433 -6.883 -2.303
44 HA VAL 7 HA VAL 7 2.705 -5.883 -2.697
45 HB VAL 7 HB VAL 7 3.098 -7.595 -4.457
46 HG11 VAL 7 1HG1 VAL 7 4.813 -8.895 -3.411
47 HG12 VAL 7 2HG1 VAL 7 3.470 -9.934 -3.878
48 HG13 VAL 7 3HG1 VAL 7 3.680 -9.470 -2.189
49 HG21 VAL 7 3HG2 VAL 7 1.203 -9.103 -3.979
50 HG22 VAL 7 1HG2 VAL 7 0.832 -7.427 -3.572
51 HG23 VAL 7 2HG2 VAL 7 1.222 -8.576 -2.296
52 H ILE 8 H ILE 8 1.366 -6.228 -0.995
53 HA ILE 8 HA ILE 8 2.368 -7.790 1.263
54 HB ILE 8 HB ILE 8 1.782 -6.040 2.862
55 HG12 ILE 8 2HG1 ILE 8 1.180 -4.333 0.447
56 HG13 ILE 8 1HG1 ILE 8 -0.005 -4.976 1.562
57 HG21 ILE 8 1HG2 ILE 8 4.072 -6.057 2.095
58 HG22 ILE 8 2HG2 ILE 8 3.541 -4.395 2.383
59 HG23 ILE 8 3HG2 ILE 8 3.650 -5.015 0.737
60 HD11 ILE 8 3HD1 ILE 8 0.377 -2.651 2.057
61 HD12 ILE 8 1HD1 ILE 8 2.115 -2.941 2.218
62 HD13 ILE 8 2HD1 ILE 8 0.988 -3.657 3.366
63 H LYS 9 H LYS 9 0.554 -7.871 2.941
64 HA LYS 9 HA LYS 9 -2.057 -7.669 1.712
65 HB2 LYS 9 2HB LYS 9 -1.396 -10.023 1.414
66 HB3 LYS 9 1HB LYS 9 -1.081 -10.166 3.137
67 HG2 LYS 9 2HG LYS 9 -3.437 -9.783 3.609
68 HG3 LYS 9 1HG LYS 9 -3.760 -9.600 1.890
69 HD2 LYS 9 2HD LYS 9 -3.126 -11.889 1.482
70 HD3 LYS 9 1HD LYS 9 -2.644 -12.091 3.169
71 HE2 LYS 9 2HE LYS 9 -5.434 -11.434 2.227
72 HE3 LYS 9 1HE LYS 9 -4.874 -13.042 2.677
73 HZ1 LYS 9 3HZ LYS 9 -4.977 -10.681 4.502
74 HZ2 LYS 9 1HZ LYS 9 -4.460 -12.226 4.924
75 HZ3 LYS 9 2HZ LYS 9 -6.052 -11.968 4.492
76 H LEU 10 H LEU 10 -2.277 -5.871 2.986
77 HA LEU 10 HA LEU 10 -2.600 -6.273 5.900
78 HB2 LEU 10 2HB LEU 10 -1.392 -3.993 4.381
79 HB3 LEU 10 1HB LEU 10 -2.256 -3.675 5.847
80 HG LEU 10 HG LEU 10 -0.729 -4.930 7.165
81 HD11 LEU 10 1HD1 LEU 10 0.753 -5.579 4.603
82 HD12 LEU 10 2HD1 LEU 10 -0.145 -6.731 5.589
83 HD13 LEU 10 3HD1 LEU 10 1.314 -5.971 6.228
84 HD21 LEU 10 3HD2 LEU 10 -0.158 -2.592 6.537
85 HD22 LEU 10 1HD2 LEU 10 0.880 -3.222 5.281
86 HD23 LEU 10 2HD2 LEU 10 1.246 -3.565 6.974
87 H CYS 11 H CYS 11 -3.938 -4.393 6.746
88 HA CYS 11 HA CYS 11 -6.159 -3.807 4.941
89 HB2 CYS 11 2HB CYS 11 -6.684 -5.141 7.579
90 HB3 CYS 11 1HB CYS 11 -7.842 -4.679 6.340
91 H GLY 12 H GLY 12 -7.665 -2.268 5.867
92 HA2 GLY 12 2HA GLY 12 -8.247 -0.332 6.998
93 HA3 GLY 12 1HA GLY 12 -7.783 -1.264 8.388
94 H ARG 13 H ARG 13 -6.575 -0.301 9.606
95 HA ARG 13 HA ARG 13 -5.303 2.157 9.031
96 HB2 ARG 13 2HB ARG 13 -6.243 1.691 11.235
97 HB3 ARG 13 1HB ARG 13 -5.092 0.386 11.463
98 HG2 ARG 13 2HG ARG 13 -3.257 1.972 11.514
99 HG3 ARG 13 1HG ARG 13 -4.370 3.295 11.178
100 HD2 ARG 13 2HD ARG 13 -4.501 1.516 13.615
101 HD3 ARG 13 1HD ARG 13 -3.748 3.109 13.579
102 HE ARG 13 HE ARG 13 -6.463 3.130 12.676
103 HH11 ARG 13 1HH1 ARG 13 -4.490 3.154 15.616
104 HH12 ARG 13 2HH1 ARG 13 -5.614 4.043 16.533
105 HH21 ARG 13 1HH2 ARG 13 -8.012 4.331 13.946
106 HH22 ARG 13 2HH2 ARG 13 -7.652 4.729 15.566
107 H GLU 14 H GLU 14 -4.132 -1.175 9.017
108 HA GLU 14 HA GLU 14 -1.371 -0.423 9.156
109 HB2 GLU 14 2HB GLU 14 -2.784 -2.952 8.340
110 HB3 GLU 14 1HB GLU 14 -1.052 -2.777 8.200
111 HG2 GLU 14 2HG GLU 14 -1.555 -3.987 10.198
112 HG3 GLU 14 1HG GLU 14 -0.927 -2.405 10.636
113 H LEU 15 H LEU 15 -3.730 -0.845 6.653
114 HA LEU 15 HA LEU 15 -1.974 -0.651 4.423
115 HB2 LEU 15 2HB LEU 15 -4.801 0.318 4.739
116 HB3 LEU 15 1HB LEU 15 -3.943 0.294 3.212
117 HG LEU 15 HG LEU 15 -4.585 -2.140 4.855
118 HD11 LEU 15 1HD1 LEU 15 -5.924 -0.983 2.421
119 HD12 LEU 15 2HD1 LEU 15 -6.611 -1.142 4.052
120 HD13 LEU 15 3HD1 LEU 15 -6.238 -2.579 3.113
121 HD21 LEU 15 3HD2 LEU 15 -2.637 -2.392 3.438
122 HD22 LEU 15 1HD2 LEU 15 -3.579 -1.839 2.038
123 HD23 LEU 15 2HD2 LEU 15 -4.018 -3.334 2.887
124 H VAL 16 H VAL 16 -3.643 1.716 6.401
125 HA VAL 16 HA VAL 16 -2.764 4.018 5.004
126 HB VAL 16 HB VAL 16 -3.471 3.828 7.954
127 HG11 VAL 16 1HG1 VAL 16 -2.380 5.922 7.384
128 HG12 VAL 16 2HG1 VAL 16 -4.085 6.195 7.740
129 HG13 VAL 16 3HG1 VAL 16 -3.525 6.182 6.068
130 HG21 VAL 16 3HG2 VAL 16 -5.263 4.323 5.584
131 HG22 VAL 16 1HG2 VAL 16 -5.740 4.497 7.273
132 HG23 VAL 16 2HG2 VAL 16 -5.279 2.915 6.645
133 H ARG 17 H ARG 17 -1.478 2.265 7.769
134 HA ARG 17 HA ARG 17 0.745 3.806 8.394
135 HB2 ARG 17 2HB ARG 17 0.511 0.811 8.333
136 HB3 ARG 17 1HB ARG 17 1.842 1.644 9.090
137 HG2 ARG 17 2HG ARG 17 -1.044 1.720 9.896
138 HG3 ARG 17 1HG ARG 17 0.284 0.901 10.719
139 HD2 ARG 17 2HD ARG 17 1.343 3.121 11.070
140 HD3 ARG 17 1HD ARG 17 -0.111 3.870 10.397
141 HE ARG 17 HE ARG 17 -0.691 2.040 12.461
142 HH11 ARG 17 1HH1 ARG 17 0.218 5.390 11.841
143 HH12 ARG 17 2HH1 ARG 17 -0.144 5.963 13.392
144 HH21 ARG 17 1HH2 ARG 17 -1.220 2.765 14.613
145 HH22 ARG 17 2HH2 ARG 17 -1.006 4.396 15.039
146 H ALA 18 H ALA 18 0.576 1.147 6.152
147 HA ALA 18 HA ALA 18 3.191 1.348 5.142
148 HB1 ALA 18 1HB ALA 18 0.770 0.228 3.738
149 HB2 ALA 18 2HB ALA 18 1.803 -0.653 4.862
150 HB3 ALA 18 3HB ALA 18 2.453 -0.093 3.322
151 H GLN 19 H GLN 19 0.220 2.834 4.091
152 HA GLN 19 HA GLN 19 1.128 4.050 1.722
153 HB2 GLN 19 2HB GLN 19 -1.096 4.422 3.637
154 HB3 GLN 19 1HB GLN 19 -0.888 5.647 2.418
155 HG2 GLN 19 2HG GLN 19 -1.227 3.995 0.680
156 HG3 GLN 19 1HG GLN 19 -1.180 2.690 1.867
157 HE21 GLN 19 1HE2 GLN 19 -3.176 1.942 1.240
158 HE22 GLN 19 2HE2 GLN 19 -4.648 2.766 1.613
159 H ILE 20 H ILE 20 0.655 5.396 4.964
160 HA ILE 20 HA ILE 20 1.776 7.918 4.377
161 HB ILE 20 HB ILE 20 1.648 6.579 7.106
162 HG12 ILE 20 2HG1 ILE 20 -0.570 6.640 6.122
163 HG13 ILE 20 1HG1 ILE 20 -0.471 7.825 7.415
164 HG21 ILE 20 1HG2 ILE 20 3.126 8.515 7.103
165 HG22 ILE 20 2HG2 ILE 20 1.656 8.860 8.015
166 HG23 ILE 20 3HG2 ILE 20 1.853 9.503 6.384
167 HD11 ILE 20 3HD1 ILE 20 -1.703 8.722 5.551
168 HD12 ILE 20 1HD1 ILE 20 -0.359 8.376 4.454
169 HD13 ILE 20 2HD1 ILE 20 -0.172 9.583 5.724
170 H ALA 21 H ALA 21 3.208 4.937 5.571
171 HA ALA 21 HA ALA 21 5.788 6.003 6.044
172 HB1 ALA 21 1HB ALA 21 5.010 3.936 7.104
173 HB2 ALA 21 2HB ALA 21 6.527 3.702 6.233
174 HB3 ALA 21 3HB ALA 21 5.010 3.140 5.530
175 H ILE 22 H ILE 22 4.262 4.615 3.174
176 HA ILE 22 HA ILE 22 6.693 4.230 1.770
177 HB ILE 22 HB ILE 22 4.436 3.175 1.049
178 HG12 ILE 22 2HG1 ILE 22 6.080 4.651 -0.999
179 HG13 ILE 22 1HG1 ILE 22 6.401 3.046 -0.351
180 HG21 ILE 22 1HG2 ILE 22 3.960 5.867 -0.196
181 HG22 ILE 22 2HG2 ILE 22 3.034 5.156 1.124
182 HG23 ILE 22 3HG2 ILE 22 3.013 4.404 -0.472
183 HD11 ILE 22 3HD1 ILE 22 4.023 3.851 -1.967
184 HD12 ILE 22 1HD1 ILE 22 4.336 2.238 -1.358
185 HD13 ILE 22 2HD1 ILE 22 5.403 2.943 -2.583
186 H CYS 23 H CYS 23 4.504 6.926 2.058
187 HA CYS 23 HA CYS 23 5.930 8.564 0.173
188 HB2 CYS 23 2HB CYS 23 3.759 9.055 2.157
189 HB3 CYS 23 1HB CYS 23 4.445 10.330 1.167
190 H GLY 24 H GLY 24 5.974 8.003 3.513
191 HA2 GLY 24 2HA GLY 24 7.609 10.287 4.185
192 HA3 GLY 24 1HA GLY 24 7.216 8.953 5.258
193 H MET 25 H MET 25 8.248 7.147 2.987
194 HA MET 25 HA MET 25 11.065 7.683 3.268
195 HB2 MET 25 2HB MET 25 10.563 6.105 5.078
196 HB3 MET 25 1HB MET 25 9.807 5.007 3.934
197 HG2 MET 25 2HG MET 25 11.950 4.651 2.828
198 HG3 MET 25 1HG MET 25 12.724 5.786 3.926
199 HE1 MET 25 3HE MET 25 11.501 5.134 6.729
200 HE2 MET 25 1HE MET 25 13.237 5.286 6.469
201 HE3 MET 25 2HE MET 25 12.594 3.893 7.338
202 H SER 26 H SER 26 10.576 8.398 1.230
203 HA SER 26 HA SER 26 10.579 6.308 -0.829
204 HB2 SER 26 2HB SER 26 10.118 9.301 -1.037
205 HB3 SER 26 1HB SER 26 10.043 8.150 -2.372
206 HG SER 26 HG SER 26 8.437 7.428 -0.265
207 H THR 27 H THR 27 12.801 6.479 0.677
208 HA THR 27 HA THR 27 14.693 8.433 0.090
209 HB THR 27 HB THR 27 15.219 5.601 0.993
210 HG1 THR 27 1HG THR 27 14.266 7.906 2.361
211 HG21 THR 27 3HG2 THR 27 17.128 6.621 2.176
212 HG22 THR 27 1HG2 THR 27 16.686 8.203 1.533
213 HG23 THR 27 2HG2 THR 27 17.236 6.932 0.444
214 H TRP 28 H TRP 28 14.049 5.496 -1.271
215 HA TRP 28 HA TRP 28 16.126 5.939 -3.336
216 HB2 TRP 28 2HB TRP 28 14.654 3.316 -2.935
217 HB3 TRP 28 1HB TRP 28 16.084 3.602 -3.908
218 HD1 TRP 28 HD TRP 28 15.061 2.431 -0.605
219 HE1 TRP 28 1HE TRP 28 17.071 2.222 0.982
220 HE3 TRP 28 3HE TRP 28 18.500 4.996 -3.365
221 HZ2 TRP 28 2HZ TRP 28 19.784 3.046 1.045
222 HZ3 TRP 28 3HZ TRP 28 20.782 5.246 -2.475
223 HH2 TRP 28 HH TRP 28 21.407 4.291 -0.317
224 H SER 29 H SER 29 15.228 7.180 -4.812
225 HA SER 29 HA SER 29 12.788 6.244 -6.121
226 HB2 SER 29 2HB SER 29 13.479 9.116 -5.431
227 HB3 SER 29 1HB SER 29 12.125 8.621 -6.446
228 HG SER 29 HG SER 29 12.536 8.134 -3.684
229 HN1 NH2 30 HT1 SER 29 13.710 5.438 -7.880
230 HN2 NH2 30 HT2 SER 29 14.813 6.253 -8.937
231 HA PCA 1 HA PCA 1 -13.984 3.084 -5.710
232 HB2 PCA 1 2HB PCA 1 -14.992 0.968 -7.345
233 HB3 PCA 1 1HB PCA 1 -15.952 2.051 -6.298
234 HG2 PCA 1 2HG PCA 1 -15.822 2.018 -9.184
235 HG3 PCA 1 1HG PCA 1 -16.750 3.151 -8.144
236 H LEU 2 H LEU 2 -11.955 3.380 -7.704
237 HA LEU 2 HA LEU 2 -10.706 0.740 -7.964
238 HB2 LEU 2 2HB LEU 2 -9.556 3.441 -8.726
239 HB3 LEU 2 1HB LEU 2 -8.766 1.913 -9.006
240 HG LEU 2 HG LEU 2 -10.750 1.330 -10.507
241 HD11 LEU 2 1HD1 LEU 2 -11.965 3.202 -11.485
242 HD12 LEU 2 2HD1 LEU 2 -11.211 4.299 -10.328
243 HD13 LEU 2 3HD1 LEU 2 -12.304 3.037 -9.763
244 HD21 LEU 2 3HD2 LEU 2 -9.796 2.559 -12.398
245 HD22 LEU 2 1HD2 LEU 2 -8.548 1.860 -11.366
246 HD23 LEU 2 2HD2 LEU 2 -8.906 3.584 -11.274
247 H TYR 3 H TYR 3 -10.165 3.707 -6.257
248 HA TYR 3 HA TYR 3 -7.859 2.745 -4.888
249 HB2 TYR 3 2HB TYR 3 -9.640 5.094 -4.502
250 HB3 TYR 3 1HB TYR 3 -8.289 4.776 -3.427
251 HD1 TYR 3 1HD TYR 3 -6.034 4.183 -4.916
252 HD2 TYR 3 2HD TYR 3 -9.276 6.610 -6.194
253 HE1 TYR 3 1HE TYR 3 -4.576 5.255 -6.571
254 HE2 TYR 3 2HE TYR 3 -7.826 7.685 -7.855
255 HH TYR 3 HH TYR 3 -5.378 8.086 -8.140
256 H SER 4 H SER 4 -11.142 3.262 -3.972
257 HA SER 4 HA SER 4 -11.204 2.087 -1.461
258 HB2 SER 4 2HB SER 4 -13.186 3.156 -2.488
259 HB3 SER 4 1HB SER 4 -13.307 1.831 -3.641
260 HG SER 4 HG SER 4 -13.780 1.851 -0.874
261 H ALA 5 H ALA 5 -11.229 0.503 -4.655
262 HA ALA 5 HA ALA 5 -11.605 -2.133 -3.827
263 HB1 ALA 5 1HB ALA 5 -11.770 -1.416 -6.173
264 HB2 ALA 5 2HB ALA 5 -10.667 -2.781 -5.976
265 HB3 ALA 5 3HB ALA 5 -10.027 -1.154 -6.201
266 H LEU 6 H LEU 6 -8.710 -0.169 -4.089
267 HA LEU 6 HA LEU 6 -6.725 -2.071 -3.792
268 HB2 LEU 6 2HB LEU 6 -6.215 0.265 -4.276
269 HB3 LEU 6 1HB LEU 6 -6.806 0.752 -2.704
270 HG LEU 6 HG LEU 6 -4.928 -0.486 -1.648
271 HD11 LEU 6 1HD1 LEU 6 -4.038 -0.886 -4.484
272 HD12 LEU 6 2HD1 LEU 6 -4.525 -2.138 -3.336
273 HD13 LEU 6 3HD1 LEU 6 -3.058 -1.199 -3.056
274 HD21 LEU 6 3HD2 LEU 6 -4.693 1.922 -2.060
275 HD22 LEU 6 1HD2 LEU 6 -4.095 1.599 -3.683
276 HD23 LEU 6 2HD2 LEU 6 -3.142 1.126 -2.287
277 H ALA 7 H ALA 7 -8.644 -0.502 -1.283
278 HA ALA 7 HA ALA 7 -7.209 -1.538 0.918
279 HB1 ALA 7 1HB ALA 7 -8.685 0.416 1.102
280 HB2 ALA 7 2HB ALA 7 -9.124 -0.835 2.267
281 HB3 ALA 7 3HB ALA 7 -10.083 -0.617 0.803
282 H ASN 8 H ASN 8 -10.056 -2.625 -0.793
283 HA ASN 8 HA ASN 8 -10.558 -4.849 0.938
284 HB2 ASN 8 2HB ASN 8 -11.548 -4.424 -1.886
285 HB3 ASN 8 1HB ASN 8 -12.173 -5.595 -0.738
286 HD21 ASN 8 1HD2 ASN 8 -13.585 -3.557 -2.105
287 HD22 ASN 8 2HD2 ASN 8 -14.265 -2.517 -0.923
288 H LYS 9 H LYS 9 -9.041 -4.392 -2.176
289 HA LYS 9 HA LYS 9 -8.683 -7.089 -2.838
290 HB2 LYS 9 2HB LYS 9 -8.401 -4.904 -4.284
291 HB3 LYS 9 1HB LYS 9 -6.768 -4.938 -3.669
292 HG2 LYS 9 2HG LYS 9 -6.781 -5.977 -5.821
293 HG3 LYS 9 1HG LYS 9 -6.483 -7.215 -4.597
294 HD2 LYS 9 2HD LYS 9 -8.862 -7.856 -4.676
295 HD3 LYS 9 1HD LYS 9 -9.143 -6.623 -5.903
296 HE2 LYS 9 2HE LYS 9 -7.568 -7.775 -7.378
297 HE3 LYS 9 1HE LYS 9 -7.335 -9.017 -6.151
298 HZ1 LYS 9 3HZ LYS 9 -9.852 -8.414 -7.615
299 HZ2 LYS 9 1HZ LYS 9 -9.761 -9.470 -6.306
300 HZ3 LYS 9 2HZ LYS 9 -8.921 -9.813 -7.707
301 H CYS 10 H CYS 10 -6.631 -4.792 -1.140
302 HA CYS 10 HA CYS 10 -4.396 -6.531 -0.868
303 HB2 CYS 10 2HB CYS 10 -4.566 -3.934 -0.550
304 HB3 CYS 10 1HB CYS 10 -5.088 -4.359 1.062
305 H CYS 11 H CYS 11 -7.284 -5.923 1.043
306 HA CYS 11 HA CYS 11 -6.330 -7.374 3.282
307 HB2 CYS 11 2HB CYS 11 -8.146 -5.538 3.173
308 HB3 CYS 11 1HB CYS 11 -9.220 -6.834 2.670
309 H HIS 12 H HIS 12 -8.141 -8.173 0.381
310 HA HIS 12 HA HIS 12 -8.780 -10.819 1.331
311 HB2 HIS 12 2HB HIS 12 -9.239 -9.408 -1.272
312 HB3 HIS 12 1HB HIS 12 -9.497 -11.138 -1.126
313 HD1 HIS 12 1HD HIS 12 -11.902 -11.702 -0.589
314 HD2 HIS 12 2HD HIS 12 -10.779 -7.970 0.842
315 HE1 HIS 12 1HE HIS 12 -13.960 -10.711 0.450
316 H VAL 13 H VAL 13 -6.728 -9.558 -1.262
317 HA VAL 13 HA VAL 13 -5.340 -12.131 -1.148
318 HB VAL 13 HB VAL 13 -4.724 -11.806 -3.533
319 HG11 VAL 13 1HG1 VAL 13 -6.550 -13.307 -2.905
320 HG12 VAL 13 2HG1 VAL 13 -6.982 -12.478 -4.407
321 HG13 VAL 13 3HG1 VAL 13 -7.672 -11.950 -2.873
322 HG21 VAL 13 3HG2 VAL 13 -6.827 -9.637 -3.486
323 HG22 VAL 13 1HG2 VAL 13 -6.099 -10.317 -4.942
324 HG23 VAL 13 2HG2 VAL 13 -5.104 -9.419 -3.796
325 H GLY 14 H GLY 14 -4.853 -8.779 -1.989
326 HA2 GLY 14 2HA GLY 14 -2.961 -8.011 -0.345
327 HA3 GLY 14 1HA GLY 14 -1.997 -8.966 -1.431
328 H CYS 15 H CYS 15 -1.299 -6.500 -1.321
329 HA CYS 15 HA CYS 15 -2.250 -5.339 -3.821
330 HB2 CYS 15 2HB CYS 15 -2.275 -3.137 -2.794
331 HB3 CYS 15 1HB CYS 15 -3.497 -4.202 -2.122
332 H THR 16 H THR 16 -0.726 -3.649 -4.548
333 HA THR 16 HA THR 16 1.919 -4.426 -3.725
334 HB THR 16 HB THR 16 2.641 -3.282 -5.857
335 HG1 THR 16 1HG THR 16 0.112 -3.706 -6.881
336 HG21 THR 16 3HG2 THR 16 0.827 -5.684 -6.060
337 HG22 THR 16 1HG2 THR 16 2.545 -5.708 -5.669
338 HG23 THR 16 2HG2 THR 16 2.015 -5.200 -7.272
339 H LYS 17 H LYS 17 3.473 -2.951 -3.493
340 HA LYS 17 HA LYS 17 2.756 -0.754 -1.816
341 HB2 LYS 17 2HB LYS 17 4.889 -2.233 -1.778
342 HB3 LYS 17 1HB LYS 17 5.533 -1.231 -3.041
343 HG2 LYS 17 2HG LYS 17 6.386 -0.693 -0.902
344 HG3 LYS 17 1HG LYS 17 5.538 0.696 -1.592
345 HD2 LYS 17 2HD LYS 17 4.970 0.564 0.742
346 HD3 LYS 17 1HD LYS 17 3.556 0.030 -0.146
347 HE2 LYS 17 2HE LYS 17 3.845 -1.458 1.713
348 HE3 LYS 17 1HE LYS 17 4.306 -2.350 0.270
349 HZ1 LYS 17 3HZ LYS 17 6.123 -1.163 2.310
350 HZ2 LYS 17 1HZ LYS 17 6.666 -1.790 0.843
351 HZ3 LYS 17 2HZ LYS 17 5.923 -2.794 1.918
352 H ARG 18 H ARG 18 3.939 -0.883 -5.117
353 HA ARG 18 HA ARG 18 3.914 1.805 -5.841
354 HB2 ARG 18 2HB ARG 18 3.139 0.925 -8.084
355 HB3 ARG 18 1HB ARG 18 4.688 0.292 -7.496
356 HG2 ARG 18 2HG ARG 18 3.435 -1.705 -6.745
357 HG3 ARG 18 1HG ARG 18 1.990 -1.047 -7.514
358 HD2 ARG 18 2HD ARG 18 4.593 -1.693 -8.895
359 HD3 ARG 18 1HD ARG 18 3.154 -2.709 -8.895
360 HE ARG 18 HE ARG 18 2.169 -0.479 -9.866
361 HH11 ARG 18 1HH1 ARG 18 5.268 -2.031 -10.677
362 HH12 ARG 18 2HH1 ARG 18 5.182 -1.651 -12.336
363 HH21 ARG 18 1HH2 ARG 18 2.060 0.029 -12.170
364 HH22 ARG 18 2HH2 ARG 18 3.331 -0.423 -13.196
365 H SER 19 H SER 19 1.353 -0.355 -5.492
366 HA SER 19 HA SER 19 -0.670 1.226 -6.706
367 HB2 SER 19 2HB SER 19 -0.660 -1.252 -6.566
368 HB3 SER 19 1HB SER 19 -0.990 -1.143 -4.852
369 HG SER 19 HG SER 19 -2.855 -1.439 -6.016
370 H LEU 20 H LEU 20 0.390 0.680 -3.358
371 HA LEU 20 HA LEU 20 -1.652 2.478 -2.287
372 HB2 LEU 20 2HB LEU 20 0.841 2.152 -0.699
373 HB3 LEU 20 1HB LEU 20 -0.812 2.172 -0.251
374 HG LEU 20 HG LEU 20 0.282 -0.252 -1.579
375 HD11 LEU 20 1HD1 LEU 20 1.616 0.252 0.449
376 HD12 LEU 20 2HD1 LEU 20 0.616 -1.183 0.644
377 HD13 LEU 20 3HD1 LEU 20 0.122 0.342 1.385
378 HD21 LEU 20 3HD2 LEU 20 -2.119 0.345 0.132
379 HD22 LEU 20 1HD2 LEU 20 -1.548 -1.280 -0.285
380 HD23 LEU 20 2HD2 LEU 20 -2.035 -0.196 -1.562
381 H ALA 21 H ALA 21 1.466 2.694 -3.546
382 HA ALA 21 HA ALA 21 2.210 5.276 -2.693
383 HB1 ALA 21 1HB ALA 21 3.731 3.752 -3.947
384 HB2 ALA 21 2HB ALA 21 3.709 5.392 -4.586
385 HB3 ALA 21 3HB ALA 21 2.819 4.113 -5.409
386 H ARG 22 H ARG 22 0.228 4.288 -5.410
387 HA ARG 22 HA ARG 22 -0.105 6.991 -6.326
388 HB2 ARG 22 2HB ARG 22 -1.618 6.084 -8.025
389 HB3 ARG 22 1HB ARG 22 -0.126 5.167 -7.944
390 HG2 ARG 22 2HG ARG 22 -1.377 3.509 -6.515
391 HG3 ARG 22 1HG ARG 22 -2.846 4.370 -6.965
392 HD2 ARG 22 2HD ARG 22 -0.888 3.060 -8.840
393 HD3 ARG 22 1HD ARG 22 -2.480 2.454 -8.414
394 HE ARG 22 HE ARG 22 -3.315 4.590 -9.475
395 HH11 ARG 22 1HH1 ARG 22 -0.240 3.150 -10.512
396 HH12 ARG 22 2HH1 ARG 22 -0.451 3.561 -12.151
397 HH21 ARG 22 1HH2 ARG 22 -3.565 5.168 -11.734
398 HH22 ARG 22 2HH2 ARG 22 -2.361 4.704 -12.867
399 H PHE 23 H PHE 23 -1.288 5.611 -3.703
400 HA PHE 23 HA PHE 23 -3.770 7.198 -3.779
401 HB2 PHE 23 2HB PHE 23 -3.965 4.684 -3.325
402 HB3 PHE 23 1HB PHE 23 -3.107 4.967 -1.856
403 HD1 PHE 23 1HD PHE 23 -5.957 6.728 -3.508
404 HD2 PHE 23 2HD PHE 23 -4.419 4.899 0.007
405 HE1 PHE 23 1HE PHE 23 -8.034 7.278 -2.319
406 HE2 PHE 23 2HE PHE 23 -6.496 5.447 1.198
407 HZ PHE 23 HZ PHE 23 -8.304 6.636 0.038
408 H CYS 24 H CYS 24 -1.638 5.889 -1.457
409 HA CYS 24 HA CYS 24 -0.455 6.642 0.326
410 HB2 CYS 24 2HB CYS 24 0.704 7.994 -1.404
411 HB3 CYS 24 1HB CYS 24 -0.425 9.307 -1.108
412 HN1 NH2 25 HT1 CYS 24 -2.288 9.626 -0.251
413 HN2 NH2 25 HT2 CYS 24 -3.049 9.633 1.302
Start of MODEL 20
1 H1 ASP 1 1HT ASP 1 14.032 4.373 -2.492
2 H2 ASP 1 2HT ASP 1 14.762 3.460 -3.670
3 H3 ASP 1 3HT ASP 1 14.045 2.698 -2.350
4 HA ASP 1 HA ASP 1 11.864 3.619 -3.088
5 HB2 ASP 1 2HB ASP 1 11.708 4.489 -5.283
6 HB3 ASP 1 1HB ASP 1 12.779 5.552 -4.335
7 H SER 2 H SER 2 14.393 1.811 -4.604
8 HA SER 2 HA SER 2 12.978 0.336 -6.467
9 HB2 SER 2 2HB SER 2 15.252 -0.755 -4.822
10 HB3 SER 2 1HB SER 2 14.838 -1.150 -6.492
11 HG SER 2 HG SER 2 15.336 1.005 -7.058
12 H TRP 3 H TRP 3 12.786 0.175 -3.276
13 HA TRP 3 HA TRP 3 11.818 -2.508 -2.865
14 HB2 TRP 3 2HB TRP 3 11.155 -1.663 -0.562
15 HB3 TRP 3 1HB TRP 3 12.864 -1.547 -0.952
16 HD1 TRP 3 HD TRP 3 13.950 0.782 -0.666
17 HE1 TRP 3 1HE TRP 3 13.093 3.156 -0.151
18 HE3 TRP 3 3HE TRP 3 8.923 -0.062 -0.997
19 HZ2 TRP 3 2HZ TRP 3 10.622 4.485 0.089
20 HZ3 TRP 3 3HZ TRP 3 7.403 1.746 -0.634
21 HH2 TRP 3 HH TRP 3 8.218 4.029 -0.085
22 H MET 4 H MET 4 10.403 0.216 -4.201
23 HA MET 4 HA MET 4 7.795 0.114 -3.134
24 HB2 MET 4 2HB MET 4 8.763 1.173 -5.773
25 HB3 MET 4 1HB MET 4 7.103 1.309 -5.221
26 HG2 MET 4 2HG MET 4 7.861 2.618 -3.298
27 HG3 MET 4 1HG MET 4 9.520 2.487 -3.877
28 HE1 MET 4 3HE MET 4 8.955 2.776 -7.139
29 HE2 MET 4 1HE MET 4 10.326 3.448 -6.253
30 HE3 MET 4 2HE MET 4 9.334 4.488 -7.271
31 H GLU 5 H GLU 5 9.349 -1.751 -5.578
32 HA GLU 5 HA GLU 5 6.836 -2.927 -6.297
33 HB2 GLU 5 2HB GLU 5 9.638 -3.789 -6.994
34 HB3 GLU 5 1HB GLU 5 8.185 -4.615 -7.540
35 HG2 GLU 5 2HG GLU 5 7.487 -2.361 -8.492
36 HG3 GLU 5 1HG GLU 5 9.165 -1.887 -8.245
37 H GLU 6 H GLU 6 6.054 -3.468 -4.452
38 HA GLU 6 HA GLU 6 7.045 -5.908 -3.250
39 HB2 GLU 6 2HB GLU 6 7.818 -3.797 -1.939
40 HB3 GLU 6 1HB GLU 6 6.106 -3.546 -1.677
41 HG2 GLU 6 2HG GLU 6 5.862 -5.532 -0.427
42 HG3 GLU 6 1HG GLU 6 7.504 -6.033 -0.819
43 H VAL 7 H VAL 7 5.352 -6.792 -2.022
44 HA VAL 7 HA VAL 7 2.681 -5.881 -2.571
45 HB VAL 7 HB VAL 7 3.112 -7.347 -4.496
46 HG11 VAL 7 1HG1 VAL 7 3.719 -9.528 -2.514
47 HG12 VAL 7 2HG1 VAL 7 4.856 -8.769 -3.628
48 HG13 VAL 7 3HG1 VAL 7 3.530 -9.750 -4.253
49 HG21 VAL 7 3HG2 VAL 7 0.856 -7.312 -3.593
50 HG22 VAL 7 1HG2 VAL 7 1.248 -8.645 -2.509
51 HG23 VAL 7 2HG2 VAL 7 1.239 -8.897 -4.258
52 H ILE 8 H ILE 8 1.569 -5.989 -0.831
53 HA ILE 8 HA ILE 8 2.378 -7.859 1.278
54 HB ILE 8 HB ILE 8 1.880 -6.100 2.952
55 HG12 ILE 8 2HG1 ILE 8 1.655 -4.354 0.505
56 HG13 ILE 8 1HG1 ILE 8 0.391 -4.705 1.660
57 HG21 ILE 8 1HG2 ILE 8 4.188 -6.516 2.341
58 HG22 ILE 8 2HG2 ILE 8 3.945 -4.797 2.658
59 HG23 ILE 8 3HG2 ILE 8 4.060 -5.379 0.998
60 HD11 ILE 8 3HD1 ILE 8 2.874 -3.097 2.213
61 HD12 ILE 8 1HD1 ILE 8 1.621 -3.477 3.392
62 HD13 ILE 8 2HD1 ILE 8 1.243 -2.464 2.000
63 H LYS 9 H LYS 9 0.614 -7.816 2.990
64 HA LYS 9 HA LYS 9 -2.021 -7.600 1.764
65 HB2 LYS 9 2HB LYS 9 -1.298 -9.967 1.607
66 HB3 LYS 9 1HB LYS 9 -1.026 -9.989 3.342
67 HG2 LYS 9 2HG LYS 9 -3.420 -9.584 3.708
68 HG3 LYS 9 1HG LYS 9 -3.676 -9.608 1.963
69 HD2 LYS 9 2HD LYS 9 -2.824 -11.911 1.889
70 HD3 LYS 9 1HD LYS 9 -2.618 -11.877 3.640
71 HE2 LYS 9 2HE LYS 9 -5.216 -11.563 2.152
72 HE3 LYS 9 1HE LYS 9 -4.697 -13.003 3.013
73 HZ1 LYS 9 3HZ LYS 9 -5.348 -10.355 4.188
74 HZ2 LYS 9 1HZ LYS 9 -4.695 -11.637 5.080
75 HZ3 LYS 9 2HZ LYS 9 -6.199 -11.773 4.350
76 H LEU 10 H LEU 10 -2.482 -5.825 2.979
77 HA LEU 10 HA LEU 10 -2.554 -6.146 5.912
78 HB2 LEU 10 2HB LEU 10 -1.614 -3.816 4.283
79 HB3 LEU 10 1HB LEU 10 -2.384 -3.542 5.814
80 HG LEU 10 HG LEU 10 -0.686 -4.741 6.983
81 HD11 LEU 10 1HD1 LEU 10 -0.023 -6.393 5.296
82 HD12 LEU 10 2HD1 LEU 10 1.401 -5.487 5.825
83 HD13 LEU 10 3HD1 LEU 10 0.628 -5.111 4.282
84 HD21 LEU 10 3HD2 LEU 10 0.559 -2.790 5.082
85 HD22 LEU 10 1HD2 LEU 10 1.171 -3.220 6.670
86 HD23 LEU 10 2HD2 LEU 10 -0.361 -2.347 6.509
87 H CYS 11 H CYS 11 -3.964 -4.361 6.793
88 HA CYS 11 HA CYS 11 -6.294 -3.909 5.074
89 HB2 CYS 11 2HB CYS 11 -6.635 -5.157 7.773
90 HB3 CYS 11 1HB CYS 11 -7.881 -4.781 6.609
91 H GLY 12 H GLY 12 -7.735 -2.389 5.894
92 HA2 GLY 12 2HA GLY 12 -8.345 -0.358 6.861
93 HA3 GLY 12 1HA GLY 12 -7.956 -1.213 8.319
94 H ARG 13 H ARG 13 -6.726 -0.310 9.513
95 HA ARG 13 HA ARG 13 -5.464 2.170 8.966
96 HB2 ARG 13 2HB ARG 13 -5.371 0.369 11.374
97 HB3 ARG 13 1HB ARG 13 -4.690 1.991 11.325
98 HG2 ARG 13 2HG ARG 13 -6.846 2.969 11.001
99 HG3 ARG 13 1HG ARG 13 -7.592 1.385 10.784
100 HD2 ARG 13 2HD ARG 13 -7.996 2.356 13.017
101 HD3 ARG 13 1HD ARG 13 -7.140 0.819 13.085
102 HE ARG 13 HE ARG 13 -5.750 3.397 13.254
103 HH11 ARG 13 1HH1 ARG 13 -6.377 0.159 14.582
104 HH12 ARG 13 2HH1 ARG 13 -5.155 0.240 15.747
105 HH21 ARG 13 1HH2 ARG 13 -4.116 3.524 14.848
106 HH22 ARG 13 2HH2 ARG 13 -3.840 2.239 15.927
107 H GLU 14 H GLU 14 -4.319 -1.139 8.991
108 HA GLU 14 HA GLU 14 -1.543 -0.487 9.097
109 HB2 GLU 14 2HB GLU 14 -3.085 -2.922 8.206
110 HB3 GLU 14 1HB GLU 14 -1.335 -2.836 8.127
111 HG2 GLU 14 2HG GLU 14 -2.996 -2.587 10.618
112 HG3 GLU 14 1HG GLU 14 -2.090 -4.016 10.109
113 H LEU 15 H LEU 15 -3.958 -0.827 6.627
114 HA LEU 15 HA LEU 15 -2.282 -0.658 4.345
115 HB2 LEU 15 2HB LEU 15 -5.083 0.392 4.749
116 HB3 LEU 15 1HB LEU 15 -4.275 0.312 3.198
117 HG LEU 15 HG LEU 15 -4.847 -2.098 4.897
118 HD11 LEU 15 1HD1 LEU 15 -6.658 -2.540 3.328
119 HD12 LEU 15 2HD1 LEU 15 -6.415 -0.940 2.596
120 HD13 LEU 15 3HD1 LEU 15 -6.930 -1.091 4.281
121 HD21 LEU 15 3HD2 LEU 15 -4.104 -1.808 1.999
122 HD22 LEU 15 1HD2 LEU 15 -4.438 -3.298 2.883
123 HD23 LEU 15 2HD2 LEU 15 -3.024 -2.333 3.303
124 H VAL 16 H VAL 16 -3.797 1.751 6.374
125 HA VAL 16 HA VAL 16 -2.840 4.043 4.983
126 HB VAL 16 HB VAL 16 -3.443 3.839 7.949
127 HG11 VAL 16 1HG1 VAL 16 -2.271 5.876 7.339
128 HG12 VAL 16 2HG1 VAL 16 -3.941 6.233 7.776
129 HG13 VAL 16 3HG1 VAL 16 -3.461 6.205 6.080
130 HG21 VAL 16 3HG2 VAL 16 -5.718 4.609 7.383
131 HG22 VAL 16 1HG2 VAL 16 -5.353 3.025 6.698
132 HG23 VAL 16 2HG2 VAL 16 -5.318 4.454 5.672
133 H ARG 17 H ARG 17 -1.548 2.158 7.666
134 HA ARG 17 HA ARG 17 0.751 3.668 8.137
135 HB2 ARG 17 2HB ARG 17 0.254 0.727 8.464
136 HB3 ARG 17 1HB ARG 17 1.742 1.463 8.999
137 HG2 ARG 17 2HG ARG 17 0.398 2.944 10.480
138 HG3 ARG 17 1HG ARG 17 -1.035 2.042 9.984
139 HD2 ARG 17 2HD ARG 17 -0.207 1.180 12.087
140 HD3 ARG 17 1HD ARG 17 -0.008 -0.022 10.819
141 HE ARG 17 HE ARG 17 2.316 1.579 11.185
142 HH11 ARG 17 1HH1 ARG 17 0.606 -1.317 12.304
143 HH12 ARG 17 2HH1 ARG 17 1.923 -1.961 13.168
144 HH21 ARG 17 1HH2 ARG 17 4.175 0.670 12.355
145 HH22 ARG 17 2HH2 ARG 17 4.011 -0.807 13.183
146 H ALA 18 H ALA 18 0.224 1.074 5.889
147 HA ALA 18 HA ALA 18 2.872 0.973 4.849
148 HB1 ALA 18 1HB ALA 18 0.283 0.136 3.550
149 HB2 ALA 18 2HB ALA 18 1.308 -0.873 4.571
150 HB3 ALA 18 3HB ALA 18 1.897 -0.316 3.003
151 H GLN 19 H GLN 19 0.009 2.727 3.958
152 HA GLN 19 HA GLN 19 0.922 3.965 1.621
153 HB2 GLN 19 2HB GLN 19 -1.096 4.555 3.698
154 HB3 GLN 19 1HB GLN 19 -0.888 5.746 2.458
155 HG2 GLN 19 2HG GLN 19 -1.373 3.997 0.794
156 HG3 GLN 19 1HG GLN 19 -1.592 2.819 2.098
157 HE21 GLN 19 1HE2 GLN 19 -3.430 3.483 0.077
158 HE22 GLN 19 2HE2 GLN 19 -4.820 4.168 0.838
159 H ILE 20 H ILE 20 0.732 5.197 4.911
160 HA ILE 20 HA ILE 20 2.230 7.536 4.628
161 HB ILE 20 HB ILE 20 2.067 5.686 7.033
162 HG12 ILE 20 2HG1 ILE 20 -0.112 6.529 6.384
163 HG13 ILE 20 1HG1 ILE 20 0.389 7.290 7.886
164 HG21 ILE 20 1HG2 ILE 20 2.751 7.580 8.427
165 HG22 ILE 20 2HG2 ILE 20 3.032 8.535 6.973
166 HG23 ILE 20 3HG2 ILE 20 4.012 7.101 7.290
167 HD11 ILE 20 3HD1 ILE 20 -0.687 8.888 6.427
168 HD12 ILE 20 1HD1 ILE 20 0.466 8.538 5.139
169 HD13 ILE 20 2HD1 ILE 20 1.015 9.308 6.628
170 H ALA 21 H ALA 21 3.313 4.249 5.162
171 HA ALA 21 HA ALA 21 6.047 4.710 5.531
172 HB1 ALA 21 1HB ALA 21 4.950 2.581 6.042
173 HB2 ALA 21 2HB ALA 21 6.354 2.357 4.992
174 HB3 ALA 21 3HB ALA 21 4.729 2.294 4.319
175 H ILE 22 H ILE 22 4.136 4.501 2.607
176 HA ILE 22 HA ILE 22 6.496 4.285 0.970
177 HB ILE 22 HB ILE 22 4.117 3.244 0.510
178 HG12 ILE 22 2HG1 ILE 22 6.019 3.017 -1.001
179 HG13 ILE 22 1HG1 ILE 22 4.490 3.124 -1.867
180 HG21 ILE 22 1HG2 ILE 22 2.866 5.308 0.650
181 HG22 ILE 22 2HG2 ILE 22 2.614 4.414 -0.831
182 HG23 ILE 22 3HG2 ILE 22 3.636 5.867 -0.845
183 HD11 ILE 22 3HD1 ILE 22 6.261 4.311 -3.035
184 HD12 ILE 22 1HD1 ILE 22 6.591 5.276 -1.594
185 HD13 ILE 22 2HD1 ILE 22 5.058 5.458 -2.444
186 H CYS 23 H CYS 23 4.333 6.727 2.058
187 HA CYS 23 HA CYS 23 5.268 8.751 0.258
188 HB2 CYS 23 2HB CYS 23 3.533 8.746 2.655
189 HB3 CYS 23 1HB CYS 23 4.272 10.266 2.170
190 H GLY 24 H GLY 24 6.359 7.579 3.294
191 HA2 GLY 24 2HA GLY 24 8.410 9.642 3.336
192 HA3 GLY 24 1HA GLY 24 8.151 8.405 4.578
193 H MET 25 H MET 25 9.006 6.536 4.391
194 HA MET 25 HA MET 25 9.890 5.151 2.150
195 HB2 MET 25 2HB MET 25 12.342 5.339 2.205
196 HB3 MET 25 1HB MET 25 11.607 6.888 1.844
197 HG2 MET 25 2HG MET 25 12.014 7.616 4.146
198 HG3 MET 25 1HG MET 25 12.733 6.047 4.514
199 HE1 MET 25 3HE MET 25 14.924 7.233 5.412
200 HE2 MET 25 1HE MET 25 14.215 8.810 5.064
201 HE3 MET 25 2HE MET 25 15.842 8.428 4.497
202 H SER 26 H SER 26 8.612 4.739 4.594
203 HA SER 26 HA SER 26 10.393 3.757 6.577
204 HB2 SER 26 2HB SER 26 7.445 3.300 6.535
205 HB3 SER 26 1HB SER 26 8.506 3.638 7.907
206 HG SER 26 HG SER 26 7.757 5.600 7.593
207 H THR 27 H THR 27 9.602 2.427 3.857
208 HA THR 27 HA THR 27 9.323 -0.338 4.762
209 HB THR 27 HB THR 27 9.712 0.738 1.964
210 HG1 THR 27 1HG THR 27 7.484 0.516 3.614
211 HG21 THR 27 3HG2 THR 27 8.742 -1.413 1.210
212 HG22 THR 27 1HG2 THR 27 8.646 -1.946 2.888
213 HG23 THR 27 2HG2 THR 27 10.219 -1.664 2.143
214 H TRP 28 H TRP 28 11.538 1.895 4.098
215 HA TRP 28 HA TRP 28 13.808 0.062 3.703
216 HB2 TRP 28 2HB TRP 28 13.289 1.601 1.818
217 HB3 TRP 28 1HB TRP 28 13.469 2.959 2.910
218 HD1 TRP 28 HD TRP 28 15.519 0.272 1.111
219 HE1 TRP 28 1HE TRP 28 17.949 1.102 0.936
220 HE3 TRP 28 3HE TRP 28 15.143 4.488 3.959
221 HZ2 TRP 28 2HZ TRP 28 19.498 3.253 1.885
222 HZ3 TRP 28 3HZ TRP 28 17.137 5.880 4.272
223 HH2 TRP 28 HH TRP 28 19.273 5.275 3.255
224 H SER 29 H SER 29 15.387 0.207 5.233
225 HA SER 29 HA SER 29 15.001 2.161 7.359
226 HB2 SER 29 2HB SER 29 16.542 -0.449 7.414
227 HB3 SER 29 1HB SER 29 16.275 0.624 8.789
228 HG SER 29 HG SER 29 14.448 -0.965 7.375
229 HN1 NH2 30 HT1 SER 29 16.252 3.854 7.156
230 HN2 NH2 30 HT2 SER 29 17.848 3.910 6.489
231 HA PCA 1 HA PCA 1 -13.079 3.992 -7.807
232 HB2 PCA 1 2HB PCA 1 -12.840 3.673 -4.970
233 HB3 PCA 1 1HB PCA 1 -13.497 5.085 -5.838
234 HG2 PCA 1 2HG PCA 1 -14.944 3.191 -4.261
235 HG3 PCA 1 1HG PCA 1 -15.646 4.474 -5.310
236 H LEU 2 H LEU 2 -11.140 3.277 -8.240
237 HA LEU 2 HA LEU 2 -10.362 0.586 -7.726
238 HB2 LEU 2 2HB LEU 2 -8.719 2.888 -8.784
239 HB3 LEU 2 1HB LEU 2 -8.124 1.256 -8.647
240 HG LEU 2 HG LEU 2 -8.631 1.589 -10.905
241 HD11 LEU 2 1HD1 LEU 2 -10.366 -0.018 -11.410
242 HD12 LEU 2 2HD1 LEU 2 -10.912 0.043 -9.736
243 HD13 LEU 2 3HD1 LEU 2 -9.298 -0.563 -10.115
244 HD21 LEU 2 3HD2 LEU 2 -10.824 2.345 -11.749
245 HD22 LEU 2 1HD2 LEU 2 -10.011 3.569 -10.772
246 HD23 LEU 2 2HD2 LEU 2 -11.334 2.636 -10.083
247 H TYR 3 H TYR 3 -9.784 3.585 -6.165
248 HA TYR 3 HA TYR 3 -7.574 2.757 -4.583
249 HB2 TYR 3 2HB TYR 3 -9.591 4.929 -4.225
250 HB3 TYR 3 1HB TYR 3 -8.185 4.744 -3.193
251 HD1 TYR 3 1HD TYR 3 -6.038 4.177 -5.121
252 HD2 TYR 3 2HD TYR 3 -9.342 6.836 -5.473
253 HE1 TYR 3 1HE TYR 3 -4.772 5.525 -6.730
254 HE2 TYR 3 2HE TYR 3 -8.087 8.190 -7.085
255 HH TYR 3 HH TYR 3 -5.252 7.127 -8.579
256 H SER 4 H SER 4 -10.971 3.192 -3.804
257 HA SER 4 HA SER 4 -11.008 1.967 -1.315
258 HB2 SER 4 2HB SER 4 -13.200 1.805 -3.391
259 HB3 SER 4 1HB SER 4 -13.384 1.792 -1.634
260 HG SER 4 HG SER 4 -12.356 3.943 -1.725
261 H ALA 5 H ALA 5 -11.243 0.547 -4.566
262 HA ALA 5 HA ALA 5 -11.704 -2.141 -3.834
263 HB1 ALA 5 1HB ALA 5 -10.979 -2.695 -6.082
264 HB2 ALA 5 2HB ALA 5 -10.252 -1.101 -6.265
265 HB3 ALA 5 3HB ALA 5 -12.003 -1.258 -6.132
266 H LEU 6 H LEU 6 -8.772 -0.249 -4.166
267 HA LEU 6 HA LEU 6 -6.828 -2.223 -3.996
268 HB2 LEU 6 2HB LEU 6 -6.215 0.031 -4.523
269 HB3 LEU 6 1HB LEU 6 -6.898 0.636 -3.033
270 HG LEU 6 HG LEU 6 -5.089 -0.555 -1.795
271 HD11 LEU 6 1HD1 LEU 6 -3.979 -0.999 -4.540
272 HD12 LEU 6 2HD1 LEU 6 -4.524 -2.239 -3.406
273 HD13 LEU 6 3HD1 LEU 6 -3.112 -1.247 -3.027
274 HD21 LEU 6 3HD2 LEU 6 -4.190 1.484 -3.828
275 HD22 LEU 6 1HD2 LEU 6 -3.332 1.068 -2.347
276 HD23 LEU 6 2HD2 LEU 6 -4.917 1.827 -2.258
277 H ALA 7 H ALA 7 -8.499 -0.473 -1.423
278 HA ALA 7 HA ALA 7 -7.112 -1.560 0.753
279 HB1 ALA 7 1HB ALA 7 -9.976 -0.605 0.648
280 HB2 ALA 7 2HB ALA 7 -8.564 0.409 0.943
281 HB3 ALA 7 3HB ALA 7 -9.021 -0.829 2.113
282 H ASN 8 H ASN 8 -10.173 -2.508 -0.686
283 HA ASN 8 HA ASN 8 -10.683 -4.789 0.863
284 HB2 ASN 8 2HB ASN 8 -12.417 -3.797 -0.522
285 HB3 ASN 8 1HB ASN 8 -11.496 -4.135 -1.979
286 HD21 ASN 8 1HD2 ASN 8 -11.629 -6.151 -2.896
287 HD22 ASN 8 2HD2 ASN 8 -12.685 -7.379 -2.344
288 H LYS 9 H LYS 9 -8.998 -4.417 -2.188
289 HA LYS 9 HA LYS 9 -8.485 -7.128 -2.741
290 HB2 LYS 9 2HB LYS 9 -8.253 -5.224 -4.395
291 HB3 LYS 9 1HB LYS 9 -6.864 -4.707 -3.491
292 HG2 LYS 9 2HG LYS 9 -5.669 -6.739 -4.026
293 HG3 LYS 9 1HG LYS 9 -7.066 -7.337 -4.924
294 HD2 LYS 9 2HD LYS 9 -6.901 -5.449 -6.458
295 HD3 LYS 9 1HD LYS 9 -5.530 -4.818 -5.547
296 HE2 LYS 9 2HE LYS 9 -5.594 -7.497 -6.931
297 HE3 LYS 9 1HE LYS 9 -4.856 -6.040 -7.591
298 HZ1 LYS 9 3HZ LYS 9 -3.257 -6.027 -5.873
299 HZ2 LYS 9 1HZ LYS 9 -3.280 -7.564 -6.490
300 HZ3 LYS 9 2HZ LYS 9 -3.989 -7.245 -4.990
301 H CYS 10 H CYS 10 -6.527 -4.718 -1.088
302 HA CYS 10 HA CYS 10 -4.268 -6.420 -0.781
303 HB2 CYS 10 2HB CYS 10 -4.445 -3.829 -0.633
304 HB3 CYS 10 1HB CYS 10 -4.944 -4.130 1.016
305 H CYS 11 H CYS 11 -7.133 -5.799 1.130
306 HA CYS 11 HA CYS 11 -6.115 -7.151 3.405
307 HB2 CYS 11 2HB CYS 11 -7.903 -5.389 3.441
308 HB3 CYS 11 1HB CYS 11 -8.998 -6.570 2.742
309 H HIS 12 H HIS 12 -8.075 -8.043 0.602
310 HA HIS 12 HA HIS 12 -8.683 -10.636 1.672
311 HB2 HIS 12 2HB HIS 12 -9.146 -9.335 -0.988
312 HB3 HIS 12 1HB HIS 12 -9.419 -11.056 -0.779
313 HD1 HIS 12 1HD HIS 12 -11.989 -11.171 -0.786
314 HD2 HIS 12 2HD HIS 12 -10.482 -8.198 1.675
315 HE1 HIS 12 1HE HIS 12 -13.972 -10.220 0.429
316 H VAL 13 H VAL 13 -6.625 -9.464 -0.903
317 HA VAL 13 HA VAL 13 -5.189 -12.001 -0.705
318 HB VAL 13 HB VAL 13 -4.646 -11.782 -3.133
319 HG11 VAL 13 1HG1 VAL 13 -6.829 -12.729 -3.830
320 HG12 VAL 13 2HG1 VAL 13 -7.553 -12.065 -2.360
321 HG13 VAL 13 3HG1 VAL 13 -6.347 -13.343 -2.243
322 HG21 VAL 13 3HG2 VAL 13 -6.199 -10.478 -4.554
323 HG22 VAL 13 1HG2 VAL 13 -5.234 -9.442 -3.503
324 HG23 VAL 13 2HG2 VAL 13 -6.916 -9.782 -3.101
325 H GLY 14 H GLY 14 -4.776 -8.682 -1.787
326 HA2 GLY 14 2HA GLY 14 -2.772 -7.848 -0.279
327 HA3 GLY 14 1HA GLY 14 -1.897 -8.891 -1.360
328 H CYS 15 H CYS 15 -1.168 -6.383 -1.317
329 HA CYS 15 HA CYS 15 -2.115 -5.331 -3.862
330 HB2 CYS 15 2HB CYS 15 -2.165 -3.100 -2.948
331 HB3 CYS 15 1HB CYS 15 -3.378 -4.142 -2.230
332 H THR 16 H THR 16 -0.625 -3.754 -4.749
333 HA THR 16 HA THR 16 2.052 -4.349 -3.934
334 HB THR 16 HB THR 16 2.613 -3.123 -6.088
335 HG1 THR 16 1HG THR 16 0.891 -2.867 -7.523
336 HG21 THR 16 3HG2 THR 16 0.896 -5.604 -6.215
337 HG22 THR 16 1HG2 THR 16 2.634 -5.561 -5.932
338 HG23 THR 16 2HG2 THR 16 1.981 -5.051 -7.490
339 H LYS 17 H LYS 17 3.471 -2.881 -3.440
340 HA LYS 17 HA LYS 17 2.644 -0.704 -1.792
341 HB2 LYS 17 2HB LYS 17 4.744 -2.043 -1.555
342 HB3 LYS 17 1HB LYS 17 5.428 -1.235 -2.919
343 HG2 LYS 17 2HG LYS 17 6.278 -0.450 -0.867
344 HG3 LYS 17 1HG LYS 17 5.518 0.863 -1.785
345 HD2 LYS 17 2HD LYS 17 4.928 1.160 0.527
346 HD3 LYS 17 1HD LYS 17 3.493 0.544 -0.275
347 HE2 LYS 17 2HE LYS 17 3.790 -0.536 1.875
348 HE3 LYS 17 1HE LYS 17 4.021 -1.711 0.586
349 HZ1 LYS 17 3HZ LYS 17 5.604 -1.634 2.548
350 HZ2 LYS 17 1HZ LYS 17 6.369 -0.350 1.829
351 HZ3 LYS 17 2HZ LYS 17 6.281 -1.911 1.090
352 H ARG 18 H ARG 18 3.839 -0.762 -5.022
353 HA ARG 18 HA ARG 18 3.842 2.023 -5.586
354 HB2 ARG 18 2HB ARG 18 3.315 -0.337 -7.378
355 HB3 ARG 18 1HB ARG 18 3.320 1.305 -7.992
356 HG2 ARG 18 2HG ARG 18 5.643 -0.075 -6.661
357 HG3 ARG 18 1HG ARG 18 5.427 0.124 -8.401
358 HD2 ARG 18 2HD ARG 18 5.729 2.336 -6.367
359 HD3 ARG 18 1HD ARG 18 6.933 1.821 -7.543
360 HE ARG 18 HE ARG 18 4.834 2.459 -9.082
361 HH11 ARG 18 1HH1 ARG 18 6.575 4.235 -6.531
362 HH12 ARG 18 2HH1 ARG 18 6.206 5.759 -7.180
363 HH21 ARG 18 1HH2 ARG 18 4.349 4.614 -9.933
364 HH22 ARG 18 2HH2 ARG 18 4.944 5.986 -9.117
365 H SER 19 H SER 19 1.224 -0.241 -5.328
366 HA SER 19 HA SER 19 -0.660 1.377 -6.704
367 HB2 SER 19 2HB SER 19 -0.737 -1.050 -6.718
368 HB3 SER 19 1HB SER 19 -1.037 -1.122 -5.006
369 HG SER 19 HG SER 19 -2.988 -1.256 -6.107
370 H LEU 20 H LEU 20 0.252 0.778 -3.379
371 HA LEU 20 HA LEU 20 -1.829 2.627 -2.437
372 HB2 LEU 20 2HB LEU 20 0.540 1.971 -0.669
373 HB3 LEU 20 1HB LEU 20 -1.054 2.469 -0.257
374 HG LEU 20 HG LEU 20 -1.827 0.152 -1.086
375 HD11 LEU 20 1HD1 LEU 20 -0.183 -1.589 -0.774
376 HD12 LEU 20 2HD1 LEU 20 1.058 -0.373 -0.487
377 HD13 LEU 20 3HD1 LEU 20 0.298 -0.501 -2.077
378 HD21 LEU 20 3HD2 LEU 20 -0.214 0.473 1.409
379 HD22 LEU 20 1HD2 LEU 20 -1.417 -0.778 1.119
380 HD23 LEU 20 2HD2 LEU 20 -1.925 0.913 1.227
381 H ALA 21 H ALA 21 1.380 2.777 -3.391
382 HA ALA 21 HA ALA 21 2.218 5.280 -2.475
383 HB1 ALA 21 1HB ALA 21 2.759 4.166 -5.215
384 HB2 ALA 21 2HB ALA 21 3.650 3.739 -3.757
385 HB3 ALA 21 3HB ALA 21 3.705 5.392 -4.373
386 H ARG 22 H ARG 22 0.336 4.575 -5.314
387 HA ARG 22 HA ARG 22 0.247 7.266 -6.246
388 HB2 ARG 22 2HB ARG 22 -1.550 6.481 -7.768
389 HB3 ARG 22 1HB ARG 22 -0.098 5.486 -7.809
390 HG2 ARG 22 2HG ARG 22 -1.157 3.874 -6.342
391 HG3 ARG 22 1HG ARG 22 -2.607 4.868 -6.297
392 HD2 ARG 22 2HD ARG 22 -2.977 4.522 -8.622
393 HD3 ARG 22 1HD ARG 22 -1.429 3.681 -8.794
394 HE ARG 22 HE ARG 22 -2.622 2.239 -6.920
395 HH11 ARG 22 1HH1 ARG 22 -3.897 3.365 -10.034
396 HH12 ARG 22 2HH1 ARG 22 -4.860 1.972 -10.260
397 HH21 ARG 22 1HH2 ARG 22 -3.891 0.359 -7.296
398 HH22 ARG 22 2HH2 ARG 22 -4.852 0.243 -8.705
399 H PHE 23 H PHE 23 -1.437 5.798 -3.719
400 HA PHE 23 HA PHE 23 -3.547 7.863 -3.833
401 HB2 PHE 23 2HB PHE 23 -4.273 5.439 -3.633
402 HB3 PHE 23 1HB PHE 23 -3.483 5.390 -2.100
403 HD1 PHE 23 1HD PHE 23 -6.022 7.527 -3.811
404 HD2 PHE 23 2HD PHE 23 -4.686 5.758 -0.184
405 HE1 PHE 23 1HE PHE 23 -8.011 8.398 -2.657
406 HE2 PHE 23 2HE PHE 23 -6.670 6.623 0.977
407 HZ PHE 23 HZ PHE 23 -8.337 7.943 -0.259
408 H CYS 24 H CYS 24 -1.943 6.016 -1.470
409 HA CYS 24 HA CYS 24 -1.100 6.426 0.610
410 HB2 CYS 24 2HB CYS 24 0.720 7.308 -0.768
411 HB3 CYS 24 1HB CYS 24 -0.043 8.892 -0.786
412 HN1 NH2 25 HT1 CYS 24 -3.023 6.680 1.767
413 HN2 NH2 25 HT2 CYS 24 -3.596 8.220 2.278