Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
651948 | 6ydh RC | 34500 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 H GLY 1 1.811 -0.001 0.854
2 HA2 GLY 1 HA2 GLY 1 2.565 -0.953 -1.361
3 HA3 GLY 1 HA3 GLY 1 1.378 0.135 -2.065
4 H ALA 2 H ALA 2 1.856 2.287 -2.311
5 HA ALA 2 HA ALA 2 4.675 2.968 -2.068
6 HB1 ALA 2 HB1 ALA 2 4.327 4.571 -3.673
7 HB2 ALA 2 HB2 ALA 2 3.079 3.401 -4.101
8 HB3 ALA 2 HB3 ALA 2 2.654 4.850 -3.190
9 H MET 3 H MET 3 5.506 4.300 -0.583
10 HA MET 3 HA MET 3 3.978 5.148 1.635
11 HB2 MET 3 HB2 MET 3 6.033 6.312 2.345
12 HB3 MET 3 HB3 MET 3 6.347 4.654 1.851
13 HG2 MET 3 HG2 MET 3 7.243 5.382 -0.246
14 HG3 MET 3 HG3 MET 3 6.773 7.048 0.083
15 HE1 MET 3 HE1 MET 3 9.550 4.419 0.336
16 HE2 MET 3 HE2 MET 3 10.315 4.757 1.889
17 HE3 MET 3 HE3 MET 3 8.682 4.094 1.837
18 H GLY 4 H GLY 4 3.377 7.226 2.311
19 HA2 GLY 4 HA2 GLY 4 2.824 9.051 0.097
20 HA3 GLY 4 HA3 GLY 4 2.102 9.110 1.698
21 H SER 5 H SER 5 3.517 11.139 -0.040
22 HA SER 5 HA SER 5 5.894 11.794 1.469
23 HB2 SER 5 HB2 SER 5 5.636 13.953 -0.031
24 HB3 SER 5 HB3 SER 5 6.186 12.432 -0.734
25 HG SER 5 HG SER 5 3.663 13.669 -0.920
26 H GLU 6 H GLU 6 2.578 12.949 1.183
27 HA GLU 6 HA GLU 6 2.771 15.311 2.636
28 HB2 GLU 6 HB2 GLU 6 0.414 15.204 2.909
29 HB3 GLU 6 HB3 GLU 6 0.767 14.460 1.356
30 HG2 GLU 6 HG2 GLU 6 0.277 12.946 3.909
31 HG3 GLU 6 HG3 GLU 6 -0.934 13.248 2.665
32 H SER 7 H SER 7 2.585 11.988 3.729
33 HA SER 7 HA SER 7 1.944 12.398 6.412
34 HB2 SER 7 HB2 SER 7 2.777 10.194 6.815
35 HB3 SER 7 HB3 SER 7 2.091 10.182 5.190
36 HG SER 7 HG SER 7 4.176 9.177 5.334
37 H GLU 8 H GLU 8 5.045 12.561 4.744
38 HA GLU 8 HA GLU 8 6.491 13.046 7.207
39 HB2 GLU 8 HB2 GLU 8 7.223 12.697 4.336
40 HB3 GLU 8 HB3 GLU 8 8.350 13.546 5.384
41 HG2 GLU 8 HG2 GLU 8 8.287 11.579 6.917
42 HG3 GLU 8 HG3 GLU 8 7.332 10.735 5.700
43 H GLN 9 H GLN 9 7.821 14.964 7.510
44 HA GLN 9 HA GLN 9 6.903 17.349 6.082
45 HB2 GLN 9 HB2 GLN 9 6.408 18.562 8.068
46 HB3 GLN 9 HB3 GLN 9 5.550 17.032 8.185
47 HG2 GLN 9 HG2 GLN 9 7.938 16.469 9.402
48 HG3 GLN 9 HG3 GLN 9 7.643 18.141 9.875
49 HE21 GLN 9 HE21 GLN 9 7.636 15.779 11.532
50 HE22 GLN 9 HE22 GLN 9 6.063 15.673 12.238
51 H ARG 10 H ARG 10 8.328 19.159 6.248
52 HA ARG 10 HA ARG 10 10.991 18.550 7.332
53 HB2 ARG 10 HB2 ARG 10 10.315 19.523 4.562
54 HB3 ARG 10 HB3 ARG 10 11.906 19.764 5.271
55 HG2 ARG 10 HG2 ARG 10 12.276 17.827 4.143
56 HG3 ARG 10 HG3 ARG 10 11.733 17.166 5.687
57 HD2 ARG 10 HD2 ARG 10 9.667 16.565 4.854
58 HD3 ARG 10 HD3 ARG 10 9.731 17.754 3.553
59 HE ARG 10 HE ARG 10 10.777 15.071 3.510
60 HH11 ARG 10 HH11 ARG 10 10.943 18.251 2.104
61 HH12 ARG 10 HH12 ARG 10 11.602 17.695 0.601
62 HH21 ARG 10 HH21 ARG 10 11.645 14.326 1.536
63 HH22 ARG 10 HH22 ARG 10 12.000 15.462 0.279
64 H HIS 11 H HIS 11 12.355 20.495 7.585
65 HA HIS 11 HA HIS 11 10.700 22.776 8.406
66 HB2 HIS 11 HB2 HIS 11 13.438 21.837 9.253
67 HB3 HIS 11 HB3 HIS 11 12.814 23.427 9.682
68 HD1 HIS 11 HD1 HIS 11 10.957 23.532 11.460
69 HD2 HIS 11 HD2 HIS 11 12.247 19.678 10.598
70 HE1 HIS 11 HE1 HIS 11 9.990 22.079 13.271
71 H ALA 12 H ALA 12 11.047 22.688 5.727
72 HA ALA 12 HA ALA 12 13.337 24.328 5.003
73 HB1 ALA 12 HB1 ALA 12 11.390 22.668 3.572
74 HB2 ALA 12 HB2 ALA 12 11.851 24.149 2.733
75 HB3 ALA 12 HB3 ALA 12 13.088 22.990 3.219
76 H HIS 13 H HIS 13 12.978 26.325 5.926
77 HA HIS 13 HA HIS 13 10.464 27.703 5.443
78 HB2 HIS 13 HB2 HIS 13 12.795 28.080 7.217
79 HB3 HIS 13 HB3 HIS 13 12.041 29.563 6.639
80 HD1 HIS 13 HD1 HIS 13 11.018 30.219 8.872
81 HD2 HIS 13 HD2 HIS 13 9.886 26.431 7.596
82 HE1 HIS 13 HE1 HIS 13 9.152 29.522 10.408
83 H GLN 14 H GLN 14 10.192 28.586 3.500
84 HA GLN 14 HA GLN 14 12.383 30.205 2.396
85 HB2 GLN 14 HB2 GLN 14 10.858 28.007 1.099
86 HB3 GLN 14 HB3 GLN 14 11.236 29.415 0.117
87 HG2 GLN 14 HG2 GLN 14 13.472 28.997 0.123
88 HG3 GLN 14 HG3 GLN 14 13.432 28.196 1.692
89 HE21 GLN 14 HE21 GLN 14 13.732 26.095 1.652
90 HE22 GLN 14 HE22 GLN 14 13.406 25.041 0.323
91 H CYS 15 H CYS 15 11.628 31.814 0.790
92 HA CYS 15 HA CYS 15 9.548 33.380 1.829
93 HB2 CYS 15 HB2 CYS 15 11.517 34.129 0.390
94 HB3 CYS 15 HB3 CYS 15 10.584 33.576 -0.996
95 HG CYS 15 HG CYS 15 8.767 35.576 0.911
96 H VAL 16 H VAL 16 7.449 33.745 1.192
97 HA VAL 16 HA VAL 16 6.091 31.547 -0.029
98 HB VAL 16 HB VAL 16 4.051 32.890 0.268
99 HG11 VAL 16 HG11 VAL 16 3.960 32.663 2.566
100 HG12 VAL 16 HG12 VAL 16 5.309 31.606 2.149
101 HG13 VAL 16 HG13 VAL 16 5.619 33.219 2.791
102 HG21 VAL 16 HG21 VAL 16 4.503 35.076 1.654
103 HG22 VAL 16 HG22 VAL 16 6.046 35.038 0.802
104 HG23 VAL 16 HG23 VAL 16 4.537 35.101 -0.109
105 H SER 17 H SER 17 7.276 34.628 -1.117
106 HA SER 17 HA SER 17 5.703 34.692 -3.522
107 HB2 SER 17 HB2 SER 17 6.311 36.837 -2.913
108 HB3 SER 17 HB3 SER 17 7.913 36.342 -2.366
109 HG SER 17 HG SER 17 7.096 36.368 -5.083
110 H CYS 18 H CYS 18 9.219 34.394 -2.976
111 HA CYS 18 HA CYS 18 9.384 32.873 -5.490
112 HB2 CYS 18 HB2 CYS 18 11.324 34.684 -4.083
113 HB3 CYS 18 HB3 CYS 18 11.900 33.477 -5.227
114 HG CYS 18 HG CYS 18 11.863 35.807 -6.650
115 H GLY 19 H GLY 19 11.545 33.077 -2.673
116 HA2 GLY 19 HA2 GLY 19 11.140 30.833 -1.290
117 HA3 GLY 19 HA3 GLY 19 11.869 30.185 -2.751
118 H ILE 20 H ILE 20 12.654 33.237 -1.156
119 HA ILE 20 HA ILE 20 15.411 32.924 -1.338
120 HB ILE 20 HB ILE 20 13.862 34.540 0.690
121 HG12 ILE 20 HG12 ILE 20 14.950 36.253 -1.190
122 HG13 ILE 20 HG13 ILE 20 14.437 34.875 -2.158
123 HG21 ILE 20 HG21 ILE 20 16.028 34.408 1.552
124 HG22 ILE 20 HG22 ILE 20 16.768 34.475 -0.048
125 HG23 ILE 20 HG23 ILE 20 16.023 35.918 0.641
126 HD11 ILE 20 HD11 ILE 20 12.463 35.787 -0.201
127 HD12 ILE 20 HD12 ILE 20 12.854 36.955 -1.462
128 HD13 ILE 20 HD13 ILE 20 12.270 35.350 -1.898
129 H ASN 21 H ASN 21 16.999 32.211 0.049
130 HA ASN 21 HA ASN 21 16.251 30.127 1.863
131 HB2 ASN 21 HB2 ASN 21 18.750 30.023 2.282
132 HB3 ASN 21 HB3 ASN 21 18.247 29.777 0.613
133 HD21 ASN 21 HD21 ASN 21 20.519 30.324 0.223
134 HD22 ASN 21 HD22 ASN 21 20.949 31.990 0.064
135 H ILE 22 H ILE 22 14.936 31.661 3.211
136 HA ILE 22 HA ILE 22 16.609 33.088 5.168
137 HB ILE 22 HB ILE 22 14.496 34.237 5.838
138 HG12 ILE 22 HG12 ILE 22 13.394 32.939 3.337
139 HG13 ILE 22 HG13 ILE 22 12.940 32.511 4.983
140 HG21 ILE 22 HG21 ILE 22 14.568 34.960 3.034
141 HG22 ILE 22 HG22 ILE 22 15.073 35.881 4.451
142 HG23 ILE 22 HG23 ILE 22 16.185 34.736 3.702
143 HD11 ILE 22 HD11 ILE 22 11.788 34.449 3.320
144 HD12 ILE 22 HD12 ILE 22 11.410 34.102 5.007
145 HD13 ILE 22 HD13 ILE 22 12.617 35.323 4.607
146 H ALA 23 H ALA 23 16.300 30.247 5.241
147 HA ALA 23 HA ALA 23 14.317 29.400 7.051
148 HB1 ALA 23 HB1 ALA 23 15.728 27.942 5.556
149 HB2 ALA 23 HB2 ALA 23 17.030 28.137 6.729
150 HB3 ALA 23 HB3 ALA 23 15.520 27.363 7.209
151 H GLY 24 H GLY 24 14.063 30.028 9.088
152 HA2 GLY 24 HA2 GLY 24 14.542 30.517 11.282
153 HA3 GLY 24 HA3 GLY 24 16.132 29.817 11.018
154 H MET 25 H MET 25 15.239 32.347 8.889
155 HA MET 25 HA MET 25 17.275 34.056 10.055
156 HB2 MET 25 HB2 MET 25 15.752 34.026 7.478
157 HB3 MET 25 HB3 MET 25 16.545 35.508 7.994
158 HG2 MET 25 HG2 MET 25 17.965 32.872 7.735
159 HG3 MET 25 HG3 MET 25 17.862 34.060 6.437
160 HE1 MET 25 HE1 MET 25 21.302 33.508 8.307
161 HE2 MET 25 HE2 MET 25 20.369 33.402 9.800
162 HE3 MET 25 HE3 MET 25 19.866 32.486 8.380
163 H SER 26 H SER 26 16.619 36.551 9.736
164 HA SER 26 HA SER 26 14.422 36.941 11.602
165 HB2 SER 26 HB2 SER 26 16.457 38.889 10.492
166 HB3 SER 26 HB3 SER 26 15.254 39.276 11.721
167 HG SER 26 HG SER 26 17.638 37.977 11.966
168 H ALA 27 H ALA 27 13.375 36.094 9.280
169 HA ALA 27 HA ALA 27 12.547 38.423 7.727
170 HB1 ALA 27 HB1 ALA 27 11.260 35.998 6.904
171 HB2 ALA 27 HB2 ALA 27 12.418 37.000 6.029
172 HB3 ALA 27 HB3 ALA 27 12.991 35.722 7.101
173 H ALA 28 H ALA 28 10.132 38.331 7.041
174 HA ALA 28 HA ALA 28 8.565 38.907 9.282
175 HB1 ALA 28 HB1 ALA 28 8.148 38.717 6.392
176 HB2 ALA 28 HB2 ALA 28 6.707 38.385 7.354
177 HB3 ALA 28 HB3 ALA 28 7.564 39.914 7.549
178 H THR 29 H THR 29 8.147 37.424 10.804
179 HA THR 29 HA THR 29 7.236 34.758 9.955
180 HB THR 29 HB THR 29 7.694 34.913 12.786
181 HG1 THR 29 HG1 THR 29 9.909 35.425 12.737
182 HG21 THR 29 HG21 THR 29 8.995 33.421 10.510
183 HG22 THR 29 HG22 THR 29 9.390 33.146 12.207
184 HG23 THR 29 HG23 THR 29 7.757 32.831 11.620
185 H PHE 30 H PHE 30 5.096 34.580 9.913
186 HA PHE 30 HA PHE 30 3.561 35.612 12.190
187 HB2 PHE 30 HB2 PHE 30 1.733 36.231 10.540
188 HB3 PHE 30 HB3 PHE 30 3.155 37.269 10.535
189 HD1 PHE 30 HD1 PHE 30 4.844 37.022 8.720
190 HD2 PHE 30 HD2 PHE 30 1.084 35.029 8.622
191 HE1 PHE 30 HE1 PHE 30 5.108 36.649 6.302
192 HE2 PHE 30 HE2 PHE 30 1.343 34.652 6.204
193 HZ PHE 30 HZ PHE 30 3.357 35.461 5.041
194 H LYS 31 H LYS 31 1.435 34.592 12.418
195 HA LYS 31 HA LYS 31 1.550 31.787 11.566
196 HB2 LYS 31 HB2 LYS 31 1.421 32.032 13.946
197 HB3 LYS 31 HB3 LYS 31 0.080 33.162 13.815
198 HG2 LYS 31 HG2 LYS 31 -1.384 31.415 13.049
199 HG3 LYS 31 HG3 LYS 31 -0.045 30.267 12.999
200 HD2 LYS 31 HD2 LYS 31 -0.109 29.908 15.221
201 HD3 LYS 31 HD3 LYS 31 -0.423 31.606 15.586
202 HE2 LYS 31 HE2 LYS 31 -2.480 29.687 14.503
203 HE3 LYS 31 HE3 LYS 31 -2.280 30.068 16.212
204 HZ1 LYS 31 HZ1 LYS 31 -2.465 32.467 14.772
205 HZ2 LYS 31 HZ2 LYS 31 -3.748 31.471 14.297
206 HZ3 LYS 31 HZ3 LYS 31 -3.534 31.853 15.931
207 H CYS 32 H CYS 32 0.233 31.086 10.027
208 HA CYS 32 HA CYS 32 -1.670 32.754 8.772
209 HB2 CYS 32 HB2 CYS 32 -0.407 30.827 7.718
210 HB3 CYS 32 HB3 CYS 32 -1.524 29.747 8.544
211 HG CYS 32 HG CYS 32 -2.593 32.158 6.371
212 HA PRO 33 HA PRO 33 -5.066 32.133 11.560
213 HB2 PRO 33 HB2 PRO 33 -6.932 33.416 10.062
214 HB3 PRO 33 HB3 PRO 33 -5.702 34.269 11.003
215 HG2 PRO 33 HG2 PRO 33 -5.746 33.634 8.078
216 HG3 PRO 33 HG3 PRO 33 -5.270 35.137 8.889
217 HD2 PRO 33 HD2 PRO 33 -3.463 33.335 7.984
218 HD3 PRO 33 HD3 PRO 33 -3.177 34.333 9.424
219 H ASP 34 H ASP 34 -4.650 30.781 8.496
220 HA ASP 34 HA ASP 34 -7.243 29.458 8.431
221 HB2 ASP 34 HB2 ASP 34 -5.890 30.353 6.387
222 HB3 ASP 34 HB3 ASP 34 -4.989 28.848 6.546
223 H CYS 35 H CYS 35 -3.813 28.492 8.517
224 HA CYS 35 HA CYS 35 -4.663 25.931 9.698
225 HB2 CYS 35 HB2 CYS 35 -2.373 25.133 8.896
226 HB3 CYS 35 HB3 CYS 35 -3.584 25.436 7.656
227 HG CYS 35 HG CYS 35 -1.350 26.380 6.487
228 H GLY 36 H GLY 36 -2.164 28.451 9.810
229 HA2 GLY 36 HA2 GLY 36 -1.468 29.370 11.922
230 HA3 GLY 36 HA3 GLY 36 -1.789 27.808 12.660
231 H GLN 37 H GLN 37 -0.167 27.853 9.617
232 HA GLN 37 HA GLN 37 2.186 26.699 10.835
233 HB2 GLN 37 HB2 GLN 37 1.516 27.267 7.942
234 HB3 GLN 37 HB3 GLN 37 2.948 26.405 8.491
235 HG2 GLN 37 HG2 GLN 37 0.368 25.361 9.453
236 HG3 GLN 37 HG3 GLN 37 0.677 25.202 7.725
237 HE21 GLN 37 HE21 GLN 37 1.163 23.859 10.743
238 HE22 GLN 37 HE22 GLN 37 2.394 22.719 10.330
239 H GLU 38 H GLU 38 4.256 27.539 10.808
240 HA GLU 38 HA GLU 38 4.480 30.355 10.998
241 HB2 GLU 38 HB2 GLU 38 5.937 28.325 11.973
242 HB3 GLU 38 HB3 GLU 38 6.932 28.733 10.582
243 HG2 GLU 38 HG2 GLU 38 7.900 30.142 12.034
244 HG3 GLU 38 HG3 GLU 38 6.549 31.185 11.596
245 H ILE 39 H ILE 39 4.428 31.705 9.335
246 HA ILE 39 HA ILE 39 5.523 30.836 6.752
247 HB ILE 39 HB ILE 39 3.822 33.273 7.266
248 HG12 ILE 39 HG12 ILE 39 2.944 30.523 6.356
249 HG13 ILE 39 HG13 ILE 39 2.611 31.229 7.934
250 HG21 ILE 39 HG21 ILE 39 5.230 33.141 5.186
251 HG22 ILE 39 HG22 ILE 39 4.257 31.749 4.707
252 HG23 ILE 39 HG23 ILE 39 3.497 33.327 4.915
253 HD11 ILE 39 HD11 ILE 39 0.764 31.295 6.185
254 HD12 ILE 39 HD12 ILE 39 1.125 32.791 7.045
255 HD13 ILE 39 HD13 ILE 39 1.719 32.554 5.402
256 H SER 40 H SER 40 7.396 31.622 6.062
257 HA SER 40 HA SER 40 8.494 34.000 7.404
258 HB2 SER 40 HB2 SER 40 10.714 33.141 6.616
259 HB3 SER 40 HB3 SER 40 9.890 32.058 7.738
260 HG SER 40 HG SER 40 9.751 31.800 4.918
261 H ARG 41 H ARG 41 8.425 35.808 6.263
262 HA ARG 41 HA ARG 41 8.584 35.629 3.326
263 HB2 ARG 41 HB2 ARG 41 7.125 37.598 5.088
264 HB3 ARG 41 HB3 ARG 41 7.385 37.859 3.369
265 HG2 ARG 41 HG2 ARG 41 6.205 35.675 2.968
266 HG3 ARG 41 HG3 ARG 41 5.772 35.689 4.679
267 HD2 ARG 41 HD2 ARG 41 4.977 37.648 2.540
268 HD3 ARG 41 HD3 ARG 41 3.932 36.615 3.514
269 HE ARG 41 HE ARG 41 5.308 38.282 5.261
270 HH11 ARG 41 HH11 ARG 41 2.976 38.558 2.691
271 HH12 ARG 41 HH12 ARG 41 2.242 39.989 3.335
272 HH21 ARG 41 HH21 ARG 41 4.350 40.165 6.119
273 HH22 ARG 41 HH22 ARG 41 3.025 40.903 5.284
274 H CYS 42 H CYS 42 10.390 36.402 2.477
275 HA CYS 42 HA CYS 42 12.384 37.704 3.974
276 HB2 CYS 42 HB2 CYS 42 12.497 36.357 1.715
277 HB3 CYS 42 HB3 CYS 42 12.287 37.948 0.993
278 HG CYS 42 HG CYS 42 14.770 38.554 1.069
279 H SER 43 H SER 43 13.342 39.842 3.413
280 HA SER 43 HA SER 43 11.611 41.922 3.932
281 HB2 SER 43 HB2 SER 43 14.262 42.038 2.473
282 HB3 SER 43 HB3 SER 43 13.431 43.428 3.172
283 HG SER 43 HG SER 43 14.163 42.877 5.059
284 H LYS 44 H LYS 44 12.828 40.830 0.784
285 HA LYS 44 HA LYS 44 11.721 42.783 -0.838
286 HB2 LYS 44 HB2 LYS 44 11.995 39.839 -1.473
287 HB3 LYS 44 HB3 LYS 44 11.823 41.136 -2.647
288 HG2 LYS 44 HG2 LYS 44 14.109 41.008 -0.704
289 HG3 LYS 44 HG3 LYS 44 14.154 40.236 -2.291
290 HD2 LYS 44 HD2 LYS 44 13.510 42.542 -3.214
291 HD3 LYS 44 HD3 LYS 44 13.969 43.159 -1.625
292 HE2 LYS 44 HE2 LYS 44 15.936 43.385 -2.813
293 HE3 LYS 44 HE3 LYS 44 16.160 41.820 -2.032
294 HZ1 LYS 44 HZ1 LYS 44 15.024 41.030 -4.273
295 HZ2 LYS 44 HZ2 LYS 44 15.745 42.448 -4.848
296 HZ3 LYS 44 HZ3 LYS 44 16.696 41.244 -4.136
297 H CYS 45 H CYS 45 10.218 39.954 0.605
298 HA CYS 45 HA CYS 45 7.847 39.867 -0.843
299 HB2 CYS 45 HB2 CYS 45 8.883 38.514 1.322
300 HB3 CYS 45 HB3 CYS 45 7.501 39.349 2.020
301 HG CYS 45 HG CYS 45 5.860 38.302 -0.218
302 H ARG 46 H ARG 46 8.921 42.130 1.539
303 HA ARG 46 HA ARG 46 6.598 43.154 2.583
304 HB2 ARG 46 HB2 ARG 46 9.136 44.552 1.748
305 HB3 ARG 46 HB3 ARG 46 7.833 45.383 2.586
306 HG2 ARG 46 HG2 ARG 46 8.080 43.969 4.503
307 HG3 ARG 46 HG3 ARG 46 9.248 42.953 3.656
308 HD2 ARG 46 HD2 ARG 46 10.882 44.650 3.662
309 HD3 ARG 46 HD3 ARG 46 9.706 45.888 4.102
310 HE ARG 46 HE ARG 46 9.640 44.177 6.203
311 HH11 ARG 46 HH11 ARG 46 12.195 45.873 4.554
312 HH12 ARG 46 HH12 ARG 46 13.194 46.006 5.963
313 HH21 ARG 46 HH21 ARG 46 10.946 44.346 8.065
314 HH22 ARG 46 HH22 ARG 46 12.483 45.137 7.960
315 H LYS 47 H LYS 47 7.955 43.662 -0.617
316 HA LYS 47 HA LYS 47 6.069 45.697 -1.350
317 HB2 LYS 47 HB2 LYS 47 8.369 45.445 -2.340
318 HB3 LYS 47 HB3 LYS 47 7.786 44.014 -3.179
319 HG2 LYS 47 HG2 LYS 47 6.150 45.355 -4.373
320 HG3 LYS 47 HG3 LYS 47 6.678 46.797 -3.502
321 HD2 LYS 47 HD2 LYS 47 8.622 46.970 -4.690
322 HD3 LYS 47 HD3 LYS 47 8.736 45.230 -4.965
323 HE2 LYS 47 HE2 LYS 47 8.270 46.317 -7.056
324 HE3 LYS 47 HE3 LYS 47 6.843 45.410 -6.558
325 HZ1 LYS 47 HZ1 LYS 47 6.896 48.152 -5.653
326 HZ2 LYS 47 HZ2 LYS 47 6.823 47.980 -7.335
327 HZ3 LYS 47 HZ3 LYS 47 5.638 47.268 -6.360
328 H GLN 48 H GLN 48 6.328 42.215 -1.742
329 HA GLN 48 HA GLN 48 4.026 42.058 -3.475
330 HB2 GLN 48 HB2 GLN 48 5.589 39.887 -2.065
331 HB3 GLN 48 HB3 GLN 48 4.332 39.613 -3.265
332 HG2 GLN 48 HG2 GLN 48 6.876 41.132 -3.785
333 HG3 GLN 48 HG3 GLN 48 6.638 39.423 -4.148
334 HE21 GLN 48 HE21 GLN 48 7.117 41.885 -5.820
335 HE22 GLN 48 HE22 GLN 48 5.884 41.826 -7.028
336 H SER 49 H SER 49 4.325 42.700 -0.295
337 HA SER 49 HA SER 49 2.602 40.996 1.052
338 HB2 SER 49 HB2 SER 49 3.913 42.655 2.241
339 HB3 SER 49 HB3 SER 49 3.041 43.965 1.445
340 HG SER 49 HG SER 49 1.985 43.780 3.313
341 H ASN 50 H ASN 50 1.902 43.574 -1.186
342 HA ASN 50 HA ASN 50 -0.735 44.150 -0.622
343 HB2 ASN 50 HB2 ASN 50 0.391 45.413 -2.307
344 HB3 ASN 50 HB3 ASN 50 0.700 43.973 -3.272
345 HD21 ASN 50 HD21 ASN 50 -0.305 44.713 -5.095
346 HD22 ASN 50 HD22 ASN 50 -2.013 44.944 -5.206
347 H LEU 51 H LEU 51 0.624 41.305 -2.112
348 HA LEU 51 HA LEU 51 -1.913 39.938 -1.849
349 HB2 LEU 51 HB2 LEU 51 -0.716 40.662 -4.465
350 HB3 LEU 51 HB3 LEU 51 -1.422 39.055 -4.308
351 HG LEU 51 HG LEU 51 -2.893 41.639 -3.794
352 HD11 LEU 51 HD11 LEU 51 -3.897 41.415 -5.912
353 HD12 LEU 51 HD12 LEU 51 -2.167 41.207 -6.182
354 HD13 LEU 51 HD13 LEU 51 -3.229 39.799 -6.146
355 HD21 LEU 51 HD21 LEU 51 -3.463 39.102 -2.893
356 HD22 LEU 51 HD22 LEU 51 -4.621 40.418 -3.084
357 HD23 LEU 51 HD23 LEU 51 -4.419 39.228 -4.370
358 H TYR 52 H TYR 52 -1.159 38.366 -0.556
359 HA TYR 52 HA TYR 52 1.181 36.834 -1.486
360 HB2 TYR 52 HB2 TYR 52 1.756 36.359 0.766
361 HB3 TYR 52 HB3 TYR 52 1.390 38.080 0.721
362 HD1 TYR 52 HD1 TYR 52 -1.060 38.734 1.354
363 HD2 TYR 52 HD2 TYR 52 0.761 35.030 2.384
364 HE1 TYR 52 HE1 TYR 52 -2.701 38.438 3.162
365 HE2 TYR 52 HE2 TYR 52 -0.875 34.722 4.194
366 HH TYR 52 HH TYR 52 -2.356 36.066 5.585
367 H GLU 53 H GLU 53 1.095 34.541 -0.313
368 HA GLU 53 HA GLU 53 -1.546 33.403 -0.147
369 HB2 GLU 53 HB2 GLU 53 -1.314 33.428 -2.554
370 HB3 GLU 53 HB3 GLU 53 0.280 32.695 -2.447
371 HG2 GLU 53 HG2 GLU 53 -0.805 30.688 -1.426
372 HG3 GLU 53 HG3 GLU 53 -2.364 31.423 -1.795
373 H CYS 54 H CYS 54 -1.433 32.004 1.467
374 HA CYS 54 HA CYS 54 0.965 31.126 2.626
375 HB2 CYS 54 HB2 CYS 54 -1.201 31.275 3.826
376 HB3 CYS 54 HB3 CYS 54 -1.784 29.894 2.904
377 HG CYS 54 HG CYS 54 1.053 29.535 4.730
378 HA PRO 55 HA PRO 55 1.871 27.939 -0.392
379 HB2 PRO 55 HB2 PRO 55 4.298 27.308 0.649
380 HB3 PRO 55 HB3 PRO 55 4.030 28.725 -0.373
381 HG2 PRO 55 HG2 PRO 55 4.208 28.546 2.610
382 HG3 PRO 55 HG3 PRO 55 4.917 29.749 1.517
383 HD2 PRO 55 HD2 PRO 55 2.651 30.216 2.925
384 HD3 PRO 55 HD3 PRO 55 2.941 30.921 1.322
385 H ASP 56 H ASP 56 1.369 27.720 2.966
386 HA ASP 56 HA ASP 56 1.903 24.894 3.200
387 HB2 ASP 56 HB2 ASP 56 1.611 27.017 4.999
388 HB3 ASP 56 HB3 ASP 56 0.224 25.974 5.300
389 H CYS 57 H CYS 57 -1.045 26.888 3.460
390 HA CYS 57 HA CYS 57 -2.608 24.511 2.708
391 HB2 CYS 57 HB2 CYS 57 -4.537 25.681 3.748
392 HB3 CYS 57 HB3 CYS 57 -3.232 25.369 4.886
393 HG CYS 57 HG CYS 57 -2.980 28.364 3.453
394 H GLY 58 H GLY 58 -1.191 26.503 0.952
395 HA2 GLY 58 HA2 GLY 58 -1.603 27.791 -0.920
396 HA3 GLY 58 HA3 GLY 58 -2.824 26.563 -1.221
397 H PHE 59 H PHE 59 -2.718 29.011 1.339
398 HA PHE 59 HA PHE 59 -5.397 29.861 0.571
399 HB2 PHE 59 HB2 PHE 59 -5.065 29.419 2.922
400 HB3 PHE 59 HB3 PHE 59 -3.682 30.508 2.975
401 HD1 PHE 59 HD1 PHE 59 -7.105 30.884 1.547
402 HD2 PHE 59 HD2 PHE 59 -4.204 32.291 4.326
403 HE1 PHE 59 HE1 PHE 59 -8.598 32.741 2.161
404 HE2 PHE 59 HE2 PHE 59 -5.693 34.150 4.944
405 HZ PHE 59 HZ PHE 59 -7.893 34.376 3.862
406 H MET 60 H MET 60 -5.349 31.252 -1.102
407 HA MET 60 HA MET 60 -3.291 33.244 -1.376
408 HB2 MET 60 HB2 MET 60 -5.868 32.906 -2.921
409 HB3 MET 60 HB3 MET 60 -4.515 33.933 -3.379
410 HG2 MET 60 HG2 MET 60 -3.244 32.189 -4.085
411 HG3 MET 60 HG3 MET 60 -3.962 31.058 -2.940
412 HE1 MET 60 HE1 MET 60 -5.765 32.579 -6.822
413 HE2 MET 60 HE2 MET 60 -6.701 33.040 -5.400
414 HE3 MET 60 HE3 MET 60 -5.007 33.512 -5.531
415 H GLY 61 H GLY 61 -3.283 35.185 -0.459
416 HA2 GLY 61 HA2 GLY 61 -5.865 36.455 0.174
417 HA3 GLY 61 HA3 GLY 61 -4.618 36.342 1.407
418 HA PRO 62 HA PRO 62 -4.211 40.335 -1.036
419 HB2 PRO 62 HB2 PRO 62 -4.539 42.008 1.077
420 HB3 PRO 62 HB3 PRO 62 -5.889 41.418 0.100
421 HG2 PRO 62 HG2 PRO 62 -4.902 40.442 2.752
422 HG3 PRO 62 HG3 PRO 62 -6.568 40.702 2.205
423 HD2 PRO 62 HD2 PRO 62 -5.424 38.249 2.277
424 HD3 PRO 62 HD3 PRO 62 -6.638 38.701 1.064
Start of MODEL 2
1 H1 GLY 1 H GLY 1 -0.440 3.014 -5.694
2 HA2 GLY 1 HA2 GLY 1 0.689 4.514 -4.368
3 HA3 GLY 1 HA3 GLY 1 2.182 3.794 -4.950
4 H ALA 2 H ALA 2 2.321 6.390 -4.510
5 HA ALA 2 HA ALA 2 2.527 7.499 -7.203
6 HB1 ALA 2 HB1 ALA 2 1.317 9.445 -6.797
7 HB2 ALA 2 HB2 ALA 2 0.323 8.186 -6.064
8 HB3 ALA 2 HB3 ALA 2 1.339 9.210 -5.049
9 H MET 3 H MET 3 3.890 9.441 -7.281
10 HA MET 3 HA MET 3 6.121 9.169 -5.451
11 HB2 MET 3 HB2 MET 3 6.257 9.475 -8.011
12 HB3 MET 3 HB3 MET 3 5.935 11.173 -7.686
13 HG2 MET 3 HG2 MET 3 7.970 11.523 -6.724
14 HG3 MET 3 HG3 MET 3 8.125 9.854 -6.182
15 HE1 MET 3 HE1 MET 3 11.071 10.938 -8.779
16 HE2 MET 3 HE2 MET 3 10.211 11.884 -7.565
17 HE3 MET 3 HE3 MET 3 10.861 10.299 -7.148
18 H GLY 4 H GLY 4 6.868 10.718 -4.041
19 HA2 GLY 4 HA2 GLY 4 5.389 13.240 -3.840
20 HA3 GLY 4 HA3 GLY 4 5.394 12.178 -2.440
21 H SER 5 H SER 5 7.628 13.760 -4.714
22 HA SER 5 HA SER 5 9.684 13.804 -2.639
23 HB2 SER 5 HB2 SER 5 11.057 14.822 -4.577
24 HB3 SER 5 HB3 SER 5 10.602 13.122 -4.694
25 HG SER 5 HG SER 5 9.165 15.265 -5.878
26 H GLU 6 H GLU 6 7.790 16.007 -4.653
27 HA GLU 6 HA GLU 6 8.930 18.330 -3.329
28 HB2 GLU 6 HB2 GLU 6 7.544 19.634 -4.873
29 HB3 GLU 6 HB3 GLU 6 8.510 18.443 -5.733
30 HG2 GLU 6 HG2 GLU 6 6.230 17.046 -5.320
31 HG3 GLU 6 HG3 GLU 6 5.600 18.686 -5.471
32 H SER 7 H SER 7 5.901 16.543 -3.457
33 HA SER 7 HA SER 7 4.206 18.269 -2.129
34 HB2 SER 7 HB2 SER 7 4.290 15.266 -1.758
35 HB3 SER 7 HB3 SER 7 2.899 16.321 -1.507
36 HG SER 7 HG SER 7 2.517 16.256 -3.568
37 H GLU 8 H GLU 8 6.671 16.134 -0.809
38 HA GLU 8 HA GLU 8 5.994 16.313 1.899
39 HB2 GLU 8 HB2 GLU 8 8.535 15.749 0.420
40 HB3 GLU 8 HB3 GLU 8 8.580 15.964 2.164
41 HG2 GLU 8 HG2 GLU 8 6.753 14.001 0.813
42 HG3 GLU 8 HG3 GLU 8 8.389 13.595 1.330
43 H GLN 9 H GLN 9 6.915 17.571 3.597
44 HA GLN 9 HA GLN 9 8.291 20.028 2.842
45 HB2 GLN 9 HB2 GLN 9 5.669 19.999 4.346
46 HB3 GLN 9 HB3 GLN 9 6.696 21.412 4.140
47 HG2 GLN 9 HG2 GLN 9 5.507 19.873 1.849
48 HG3 GLN 9 HG3 GLN 9 4.739 21.274 2.593
49 HE21 GLN 9 HE21 GLN 9 5.352 21.269 -0.069
50 HE22 GLN 9 HE22 GLN 9 6.635 22.384 -0.376
51 H ARG 10 H ARG 10 9.739 20.674 4.331
52 HA ARG 10 HA ARG 10 10.278 18.976 6.560
53 HB2 ARG 10 HB2 ARG 10 11.488 21.522 5.519
54 HB3 ARG 10 HB3 ARG 10 11.991 20.854 7.066
55 HG2 ARG 10 HG2 ARG 10 13.551 19.950 5.655
56 HG3 ARG 10 HG3 ARG 10 12.338 18.668 5.686
57 HD2 ARG 10 HD2 ARG 10 11.565 19.174 3.560
58 HD3 ARG 10 HD3 ARG 10 12.200 20.818 3.612
59 HE ARG 10 HE ARG 10 14.409 19.204 3.711
60 HH11 ARG 10 HH11 ARG 10 11.722 19.611 1.535
61 HH12 ARG 10 HH12 ARG 10 12.620 19.142 0.130
62 HH21 ARG 10 HH21 ARG 10 15.602 18.584 1.868
63 HH22 ARG 10 HH22 ARG 10 14.827 18.557 0.321
64 H HIS 11 H HIS 11 10.952 20.337 8.686
65 HA HIS 11 HA HIS 11 8.543 21.848 9.460
66 HB2 HIS 11 HB2 HIS 11 10.145 19.799 10.971
67 HB3 HIS 11 HB3 HIS 11 9.142 20.973 11.818
68 HD1 HIS 11 HD1 HIS 11 6.550 20.785 11.455
69 HD2 HIS 11 HD2 HIS 11 8.781 17.709 9.775
70 HE1 HIS 11 HE1 HIS 11 4.894 18.971 10.914
71 H ALA 12 H ALA 12 9.883 23.686 8.653
72 HA ALA 12 HA ALA 12 11.203 24.941 10.893
73 HB1 ALA 12 HB1 ALA 12 13.162 25.543 9.234
74 HB2 ALA 12 HB2 ALA 12 13.200 24.070 10.203
75 HB3 ALA 12 HB3 ALA 12 12.712 23.999 8.510
76 H HIS 13 H HIS 13 11.762 27.226 10.415
77 HA HIS 13 HA HIS 13 9.611 28.500 9.060
78 HB2 HIS 13 HB2 HIS 13 12.055 29.421 10.513
79 HB3 HIS 13 HB3 HIS 13 11.193 30.572 9.496
80 HD1 HIS 13 HD1 HIS 13 11.197 31.286 12.352
81 HD2 HIS 13 HD2 HIS 13 8.363 28.694 10.769
82 HE1 HIS 13 HE1 HIS 13 9.255 31.358 13.948
83 H GLN 14 H GLN 14 9.504 28.334 6.899
84 HA GLN 14 HA GLN 14 11.845 29.232 5.360
85 HB2 GLN 14 HB2 GLN 14 10.232 26.762 5.064
86 HB3 GLN 14 HB3 GLN 14 10.680 27.590 3.578
87 HG2 GLN 14 HG2 GLN 14 12.795 26.914 3.710
88 HG3 GLN 14 HG3 GLN 14 12.905 27.303 5.426
89 HE21 GLN 14 HE21 GLN 14 12.969 25.686 6.831
90 HE22 GLN 14 HE22 GLN 14 12.635 24.030 6.472
91 H CYS 15 H CYS 15 11.205 29.882 3.083
92 HA CYS 15 HA CYS 15 9.251 31.914 3.226
93 HB2 CYS 15 HB2 CYS 15 11.310 31.824 1.720
94 HB3 CYS 15 HB3 CYS 15 10.373 30.766 0.672
95 HG CYS 15 HG CYS 15 8.748 33.573 1.430
96 H VAL 16 H VAL 16 7.189 32.053 2.446
97 HA VAL 16 HA VAL 16 5.723 29.612 2.198
98 HB VAL 16 HB VAL 16 3.758 31.028 1.871
99 HG11 VAL 16 HG11 VAL 16 3.672 31.886 4.024
100 HG12 VAL 16 HG12 VAL 16 4.945 30.671 4.144
101 HG13 VAL 16 HG13 VAL 16 5.365 32.378 4.004
102 HG21 VAL 16 HG21 VAL 16 5.755 32.951 1.050
103 HG22 VAL 16 HG22 VAL 16 4.012 32.955 0.782
104 HG23 VAL 16 HG23 VAL 16 4.676 33.622 2.273
105 H SER 17 H SER 17 7.121 31.883 -0.024
106 HA SER 17 HA SER 17 5.585 31.029 -2.299
107 HB2 SER 17 HB2 SER 17 7.060 33.258 -1.770
108 HB3 SER 17 HB3 SER 17 8.178 32.352 -2.789
109 HG SER 17 HG SER 17 6.553 32.242 -4.370
110 H CYS 18 H CYS 18 9.065 30.783 -1.540
111 HA CYS 18 HA CYS 18 9.161 28.355 -3.198
112 HB2 CYS 18 HB2 CYS 18 10.634 30.102 -4.009
113 HB3 CYS 18 HB3 CYS 18 11.355 30.282 -2.414
114 HG CYS 18 HG CYS 18 12.798 28.793 -4.631
115 H GLY 19 H GLY 19 11.273 29.548 -0.598
116 HA2 GLY 19 HA2 GLY 19 10.665 28.101 1.555
117 HA3 GLY 19 HA3 GLY 19 11.357 26.860 0.521
118 H ILE 20 H ILE 20 12.374 30.234 0.774
119 HA ILE 20 HA ILE 20 15.101 29.638 0.899
120 HB ILE 20 HB ILE 20 13.688 32.118 1.887
121 HG12 ILE 20 HG12 ILE 20 14.927 32.754 -0.472
122 HG13 ILE 20 HG13 ILE 20 14.409 31.100 -0.777
123 HG21 ILE 20 HG21 ILE 20 15.979 33.140 1.360
124 HG22 ILE 20 HG22 ILE 20 15.817 32.204 2.845
125 HG23 ILE 20 HG23 ILE 20 16.583 31.485 1.429
126 HD11 ILE 20 HD11 ILE 20 12.395 32.884 0.417
127 HD12 ILE 20 HD12 ILE 20 12.881 33.245 -1.240
128 HD13 ILE 20 HD13 ILE 20 12.232 31.655 -0.837
129 H ASN 21 H ASN 21 16.574 29.505 2.564
130 HA ASN 21 HA ASN 21 15.561 28.541 5.067
131 HB2 ASN 21 HB2 ASN 21 17.570 27.561 4.058
132 HB3 ASN 21 HB3 ASN 21 18.401 29.109 4.188
133 HD21 ASN 21 HD21 ASN 21 20.019 28.179 5.452
134 HD22 ASN 21 HD22 ASN 21 19.758 27.772 7.111
135 H ILE 22 H ILE 22 14.418 30.701 5.393
136 HA ILE 22 HA ILE 22 16.207 32.680 6.627
137 HB ILE 22 HB ILE 22 14.203 34.183 6.582
138 HG12 ILE 22 HG12 ILE 22 13.025 32.115 4.723
139 HG13 ILE 22 HG13 ILE 22 12.571 32.245 6.418
140 HG21 ILE 22 HG21 ILE 22 14.430 33.577 3.762
141 HG22 ILE 22 HG22 ILE 22 15.004 34.979 4.664
142 HG23 ILE 22 HG23 ILE 22 15.996 33.524 4.571
143 HD11 ILE 22 HD11 ILE 22 11.370 33.533 4.323
144 HD12 ILE 22 HD12 ILE 22 11.224 33.967 6.026
145 HD13 ILE 22 HD13 ILE 22 12.413 34.780 5.008
146 H ALA 23 H ALA 23 15.591 30.230 7.967
147 HA ALA 23 HA ALA 23 13.524 30.621 9.885
148 HB1 ALA 23 HB1 ALA 23 13.954 28.405 9.783
149 HB2 ALA 23 HB2 ALA 23 15.663 28.642 9.419
150 HB3 ALA 23 HB3 ALA 23 15.086 28.793 11.079
151 H GLY 24 H GLY 24 13.555 32.108 11.434
152 HA2 GLY 24 HA2 GLY 24 14.282 33.358 13.222
153 HA3 GLY 24 HA3 GLY 24 15.671 32.286 13.319
154 H MET 25 H MET 25 15.162 33.806 10.292
155 HA MET 25 HA MET 25 17.373 35.661 10.876
156 HB2 MET 25 HB2 MET 25 16.552 34.444 8.232
157 HB3 MET 25 HB3 MET 25 17.887 35.565 8.467
158 HG2 MET 25 HG2 MET 25 18.799 33.829 10.114
159 HG3 MET 25 HG3 MET 25 17.640 32.725 9.377
160 HE1 MET 25 HE1 MET 25 20.242 35.274 8.889
161 HE2 MET 25 HE2 MET 25 21.456 34.486 7.881
162 HE3 MET 25 HE3 MET 25 20.162 35.423 7.134
163 H SER 26 H SER 26 17.353 37.529 9.139
164 HA SER 26 HA SER 26 15.083 39.113 9.709
165 HB2 SER 26 HB2 SER 26 17.483 39.443 7.938
166 HB3 SER 26 HB3 SER 26 16.158 40.602 7.847
167 HG SER 26 HG SER 26 17.857 41.146 9.366
168 H ALA 27 H ALA 27 13.148 39.032 8.800
169 HA ALA 27 HA ALA 27 12.673 39.097 6.041
170 HB1 ALA 27 HB1 ALA 27 11.668 36.475 6.908
171 HB2 ALA 27 HB2 ALA 27 12.352 36.977 5.362
172 HB3 ALA 27 HB3 ALA 27 13.417 36.583 6.712
173 H ALA 28 H ALA 28 10.436 39.221 5.520
174 HA ALA 28 HA ALA 28 8.831 40.456 7.425
175 HB1 ALA 28 HB1 ALA 28 8.202 39.171 4.788
176 HB2 ALA 28 HB2 ALA 28 6.947 39.919 5.777
177 HB3 ALA 28 HB3 ALA 28 8.300 40.886 5.189
178 H THR 29 H THR 29 8.427 39.410 9.306
179 HA THR 29 HA THR 29 7.209 36.734 9.156
180 HB THR 29 HB THR 29 8.001 37.732 11.812
181 HG1 THR 29 HG1 THR 29 9.909 38.364 11.123
182 HG21 THR 29 HG21 THR 29 8.684 35.178 10.355
183 HG22 THR 29 HG22 THR 29 8.776 35.475 12.091
184 HG23 THR 29 HG23 THR 29 7.207 35.421 11.288
185 H PHE 30 H PHE 30 5.224 36.350 10.018
186 HA PHE 30 HA PHE 30 3.911 38.335 11.667
187 HB2 PHE 30 HB2 PHE 30 1.953 38.527 10.155
188 HB3 PHE 30 HB3 PHE 30 3.419 39.208 9.457
189 HD1 PHE 30 HD1 PHE 30 4.698 37.831 7.769
190 HD2 PHE 30 HD2 PHE 30 0.762 36.846 9.057
191 HE1 PHE 30 HE1 PHE 30 4.402 36.422 5.774
192 HE2 PHE 30 HE2 PHE 30 0.460 35.434 7.064
193 HZ PHE 30 HZ PHE 30 2.281 35.222 5.419
194 H LYS 31 H LYS 31 1.503 37.556 11.996
195 HA LYS 31 HA LYS 31 1.620 34.649 12.466
196 HB2 LYS 31 HB2 LYS 31 1.603 35.795 14.566
197 HB3 LYS 31 HB3 LYS 31 0.293 36.849 14.050
198 HG2 LYS 31 HG2 LYS 31 -1.210 34.900 13.970
199 HG3 LYS 31 HG3 LYS 31 0.107 33.888 14.568
200 HD2 LYS 31 HD2 LYS 31 -1.261 34.465 16.436
201 HD3 LYS 31 HD3 LYS 31 0.235 35.393 16.568
202 HE2 LYS 31 HE2 LYS 31 -0.803 37.386 15.985
203 HE3 LYS 31 HE3 LYS 31 -2.157 36.568 15.207
204 HZ1 LYS 31 HZ1 LYS 31 -1.679 37.053 18.067
205 HZ2 LYS 31 HZ2 LYS 31 -3.088 37.288 17.161
206 HZ3 LYS 31 HZ3 LYS 31 -2.614 35.723 17.598
207 H CYS 32 H CYS 32 0.189 33.435 11.424
208 HA CYS 32 HA CYS 32 -1.706 34.531 9.641
209 HB2 CYS 32 HB2 CYS 32 -0.573 32.269 9.466
210 HB3 CYS 32 HB3 CYS 32 -1.700 31.701 10.692
211 HG CYS 32 HG CYS 32 -3.726 32.961 8.671
212 HA PRO 33 HA PRO 33 -4.961 35.332 12.557
213 HB2 PRO 33 HB2 PRO 33 -6.824 36.067 10.725
214 HB3 PRO 33 HB3 PRO 33 -5.497 37.124 11.223
215 HG2 PRO 33 HG2 PRO 33 -5.737 35.404 8.785
216 HG3 PRO 33 HG3 PRO 33 -5.128 37.063 8.928
217 HD2 PRO 33 HD2 PRO 33 -3.484 34.918 8.757
218 HD3 PRO 33 HD3 PRO 33 -3.061 36.374 9.680
219 H ASP 34 H ASP 34 -4.777 32.852 10.288
220 HA ASP 34 HA ASP 34 -7.451 31.817 10.790
221 HB2 ASP 34 HB2 ASP 34 -6.081 31.715 8.549
222 HB3 ASP 34 HB3 ASP 34 -5.351 30.295 9.293
223 H CYS 35 H CYS 35 -4.091 30.703 11.210
224 HA CYS 35 HA CYS 35 -5.055 28.903 13.334
225 HB2 CYS 35 HB2 CYS 35 -2.874 27.661 12.886
226 HB3 CYS 35 HB3 CYS 35 -4.107 27.555 11.635
227 HG CYS 35 HG CYS 35 -2.853 29.626 10.088
228 H GLY 36 H GLY 36 -2.410 31.069 12.384
229 HA2 GLY 36 HA2 GLY 36 -1.543 32.688 13.930
230 HA3 GLY 36 HA3 GLY 36 -1.944 31.591 15.243
231 H GLN 37 H GLN 37 -0.461 30.260 12.431
232 HA GLN 37 HA GLN 37 1.854 29.505 13.987
233 HB2 GLN 37 HB2 GLN 37 1.201 28.924 11.094
234 HB3 GLN 37 HB3 GLN 37 2.469 28.160 12.042
235 HG2 GLN 37 HG2 GLN 37 -0.346 28.010 12.999
236 HG3 GLN 37 HG3 GLN 37 0.172 26.976 11.668
237 HE21 GLN 37 HE21 GLN 37 0.485 27.681 15.045
238 HE22 GLN 37 HE22 GLN 37 1.354 26.252 15.476
239 H GLU 38 H GLU 38 3.720 30.561 14.037
240 HA GLU 38 HA GLU 38 4.192 33.007 12.857
241 HB2 GLU 38 HB2 GLU 38 5.476 31.902 14.752
242 HB3 GLU 38 HB3 GLU 38 6.380 31.038 13.516
243 HG2 GLU 38 HG2 GLU 38 7.337 33.017 12.683
244 HG3 GLU 38 HG3 GLU 38 6.198 34.032 13.567
245 H ILE 39 H ILE 39 4.264 33.502 10.774
246 HA ILE 39 HA ILE 39 5.336 31.548 8.868
247 HB ILE 39 HB ILE 39 3.911 34.102 8.157
248 HG12 ILE 39 HG12 ILE 39 2.712 31.381 8.715
249 HG13 ILE 39 HG13 ILE 39 2.430 32.856 9.632
250 HG21 ILE 39 HG21 ILE 39 3.500 31.831 6.431
251 HG22 ILE 39 HG22 ILE 39 4.151 33.426 6.053
252 HG23 ILE 39 HG23 ILE 39 5.220 32.156 6.648
253 HD11 ILE 39 HD11 ILE 39 1.789 33.409 6.943
254 HD12 ILE 39 HD12 ILE 39 1.041 31.869 7.362
255 HD13 ILE 39 HD13 ILE 39 0.706 33.304 8.331
256 H SER 40 H SER 40 7.107 31.934 7.644
257 HA SER 40 HA SER 40 8.498 34.495 8.083
258 HB2 SER 40 HB2 SER 40 9.797 31.842 7.438
259 HB3 SER 40 HB3 SER 40 10.600 33.336 7.918
260 HG SER 40 HG SER 40 9.709 33.130 9.958
261 H ARG 41 H ARG 41 8.512 35.741 6.344
262 HA ARG 41 HA ARG 41 8.564 34.459 3.691
263 HB2 ARG 41 HB2 ARG 41 7.295 37.043 4.594
264 HB3 ARG 41 HB3 ARG 41 7.538 36.641 2.899
265 HG2 ARG 41 HG2 ARG 41 6.201 34.548 3.323
266 HG3 ARG 41 HG3 ARG 41 5.795 35.232 4.898
267 HD2 ARG 41 HD2 ARG 41 5.101 36.281 2.169
268 HD3 ARG 41 HD3 ARG 41 4.009 35.802 3.467
269 HE ARG 41 HE ARG 41 5.477 37.867 4.504
270 HH11 ARG 41 HH11 ARG 41 3.421 37.423 1.730
271 HH12 ARG 41 HH12 ARG 41 2.899 39.074 1.689
272 HH21 ARG 41 HH21 ARG 41 4.797 40.044 4.461
273 HH22 ARG 41 HH22 ARG 41 3.683 40.564 3.243
274 H CYS 42 H CYS 42 10.370 34.737 2.574
275 HA CYS 42 HA CYS 42 12.507 36.339 3.475
276 HB2 CYS 42 HB2 CYS 42 12.451 34.238 1.890
277 HB3 CYS 42 HB3 CYS 42 12.329 35.452 0.623
278 HG CYS 42 HG CYS 42 14.972 34.781 0.659
279 H SER 43 H SER 43 13.593 38.026 2.139
280 HA SER 43 HA SER 43 12.032 40.278 1.847
281 HB2 SER 43 HB2 SER 43 14.503 39.845 0.177
282 HB3 SER 43 HB3 SER 43 13.916 41.342 0.903
283 HG SER 43 HG SER 43 15.624 40.540 2.123
284 H LYS 44 H LYS 44 13.053 37.991 -0.665
285 HA LYS 44 HA LYS 44 12.016 39.274 -2.892
286 HB2 LYS 44 HB2 LYS 44 12.194 36.311 -2.318
287 HB3 LYS 44 HB3 LYS 44 11.865 36.999 -3.903
288 HG2 LYS 44 HG2 LYS 44 14.369 37.442 -2.289
289 HG3 LYS 44 HG3 LYS 44 14.203 36.341 -3.659
290 HD2 LYS 44 HD2 LYS 44 13.489 38.375 -5.008
291 HD3 LYS 44 HD3 LYS 44 14.063 39.347 -3.651
292 HE2 LYS 44 HE2 LYS 44 15.905 39.283 -5.059
293 HE3 LYS 44 HE3 LYS 44 16.247 37.993 -3.907
294 HZ1 LYS 44 HZ1 LYS 44 15.290 36.423 -5.551
295 HZ2 LYS 44 HZ2 LYS 44 15.192 37.694 -6.664
296 HZ3 LYS 44 HZ3 LYS 44 16.700 37.190 -6.085
297 H CYS 45 H CYS 45 10.395 37.302 -0.480
298 HA CYS 45 HA CYS 45 7.973 36.851 -1.770
299 HB2 CYS 45 HB2 CYS 45 9.004 36.342 0.743
300 HB3 CYS 45 HB3 CYS 45 7.676 37.447 1.078
301 HG CYS 45 HG CYS 45 5.902 35.756 -0.540
302 H ARG 46 H ARG 46 9.271 39.752 -0.412
303 HA ARG 46 HA ARG 46 7.053 41.249 0.203
304 HB2 ARG 46 HB2 ARG 46 9.638 42.062 -1.119
305 HB3 ARG 46 HB3 ARG 46 8.420 43.230 -0.622
306 HG2 ARG 46 HG2 ARG 46 9.303 41.281 1.417
307 HG3 ARG 46 HG3 ARG 46 10.467 42.513 0.925
308 HD2 ARG 46 HD2 ARG 46 9.424 43.657 2.592
309 HD3 ARG 46 HD3 ARG 46 8.362 44.092 1.254
310 HE ARG 46 HE ARG 46 7.473 41.721 2.538
311 HH11 ARG 46 HH11 ARG 46 7.578 45.184 2.882
312 HH12 ARG 46 HH12 ARG 46 6.157 45.260 3.869
313 HH21 ARG 46 HH21 ARG 46 5.600 41.808 3.837
314 HH22 ARG 46 HH22 ARG 46 5.033 43.339 4.413
315 H LYS 47 H LYS 47 8.332 40.452 -2.971
316 HA LYS 47 HA LYS 47 6.557 42.201 -4.391
317 HB2 LYS 47 HB2 LYS 47 8.784 41.447 -5.254
318 HB3 LYS 47 HB3 LYS 47 8.108 39.836 -5.456
319 HG2 LYS 47 HG2 LYS 47 8.006 40.823 -7.576
320 HG3 LYS 47 HG3 LYS 47 6.360 40.917 -6.945
321 HD2 LYS 47 HD2 LYS 47 6.873 43.252 -6.198
322 HD3 LYS 47 HD3 LYS 47 8.410 43.127 -7.058
323 HE2 LYS 47 HE2 LYS 47 6.993 42.503 -9.100
324 HE3 LYS 47 HE3 LYS 47 5.622 43.114 -8.175
325 HZ1 LYS 47 HZ1 LYS 47 6.937 45.219 -7.918
326 HZ2 LYS 47 HZ2 LYS 47 8.016 44.612 -9.072
327 HZ3 LYS 47 HZ3 LYS 47 6.399 44.890 -9.488
328 H GLN 48 H GLN 48 6.555 38.820 -3.442
329 HA GLN 48 HA GLN 48 4.194 38.199 -4.979
330 HB2 GLN 48 HB2 GLN 48 5.877 36.680 -3.006
331 HB3 GLN 48 HB3 GLN 48 4.334 36.043 -3.558
332 HG2 GLN 48 HG2 GLN 48 6.305 36.932 -5.595
333 HG3 GLN 48 HG3 GLN 48 6.594 35.415 -4.744
334 HE21 GLN 48 HE21 GLN 48 5.335 36.664 -7.457
335 HE22 GLN 48 HE22 GLN 48 4.155 35.461 -7.836
336 H SER 49 H SER 49 4.636 39.979 -2.287
337 HA SER 49 HA SER 49 2.841 39.060 -0.386
338 HB2 SER 49 HB2 SER 49 3.326 41.954 -1.132
339 HB3 SER 49 HB3 SER 49 2.711 41.358 0.409
340 HG SER 49 HG SER 49 4.876 41.688 0.682
341 H ASN 50 H ASN 50 2.250 40.647 -3.437
342 HA ASN 50 HA ASN 50 -0.328 41.576 -3.127
343 HB2 ASN 50 HB2 ASN 50 0.612 40.154 -5.617
344 HB3 ASN 50 HB3 ASN 50 -0.538 41.483 -5.496
345 HD21 ASN 50 HD21 ASN 50 0.728 43.250 -3.897
346 HD22 ASN 50 HD22 ASN 50 2.181 43.807 -4.647
347 H LEU 51 H LEU 51 0.803 38.293 -3.436
348 HA LEU 51 HA LEU 51 -1.810 37.306 -2.681
349 HB2 LEU 51 HB2 LEU 51 -0.553 36.727 -5.338
350 HB3 LEU 51 HB3 LEU 51 -1.633 35.562 -4.575
351 HG LEU 51 HG LEU 51 -2.355 38.380 -5.379
352 HD11 LEU 51 HD11 LEU 51 -2.325 37.301 -7.391
353 HD12 LEU 51 HD12 LEU 51 -2.652 35.722 -6.677
354 HD13 LEU 51 HD13 LEU 51 -3.956 36.896 -6.855
355 HD21 LEU 51 HD21 LEU 51 -4.039 38.180 -3.945
356 HD22 LEU 51 HD22 LEU 51 -4.642 36.840 -4.919
357 HD23 LEU 51 HD23 LEU 51 -3.576 36.525 -3.549
358 H TYR 52 H TYR 52 -1.217 36.189 -0.934
359 HA TYR 52 HA TYR 52 0.978 34.245 -1.223
360 HB2 TYR 52 HB2 TYR 52 1.700 34.653 0.995
361 HB3 TYR 52 HB3 TYR 52 1.462 36.243 0.280
362 HD1 TYR 52 HD1 TYR 52 -0.953 37.264 0.669
363 HD2 TYR 52 HD2 TYR 52 0.827 34.256 3.095
364 HE1 TYR 52 HE1 TYR 52 -2.456 37.874 2.517
365 HE2 TYR 52 HE2 TYR 52 -0.672 34.857 4.950
366 HH TYR 52 HH TYR 52 -3.311 37.099 4.528
367 H GLU 53 H GLU 53 0.803 32.598 0.719
368 HA GLU 53 HA GLU 53 -1.890 31.936 1.494
369 HB2 GLU 53 HB2 GLU 53 -1.986 31.000 -0.704
370 HB3 GLU 53 HB3 GLU 53 -0.404 30.256 -0.522
371 HG2 GLU 53 HG2 GLU 53 -1.320 28.785 1.223
372 HG3 GLU 53 HG3 GLU 53 -2.909 29.502 0.964
373 H CYS 54 H CYS 54 -1.773 31.147 3.482
374 HA CYS 54 HA CYS 54 0.637 30.573 4.785
375 HB2 CYS 54 HB2 CYS 54 -1.453 31.259 5.932
376 HB3 CYS 54 HB3 CYS 54 -2.144 29.681 5.575
377 HG CYS 54 HG CYS 54 -1.485 29.587 8.232
378 HA PRO 55 HA PRO 55 1.237 26.485 3.044
379 HB2 PRO 55 HB2 PRO 55 3.692 26.117 4.143
380 HB3 PRO 55 HB3 PRO 55 3.423 27.101 2.700
381 HG2 PRO 55 HG2 PRO 55 3.766 27.966 5.545
382 HG3 PRO 55 HG3 PRO 55 4.459 28.668 4.071
383 HD2 PRO 55 HD2 PRO 55 2.300 29.729 5.314
384 HD3 PRO 55 HD3 PRO 55 2.525 29.810 3.555
385 H ASP 56 H ASP 56 0.912 27.483 6.279
386 HA ASP 56 HA ASP 56 1.348 24.892 7.473
387 HB2 ASP 56 HB2 ASP 56 1.455 27.408 8.471
388 HB3 ASP 56 HB3 ASP 56 -0.164 26.939 8.980
389 H CYS 57 H CYS 57 -1.498 27.013 7.103
390 HA CYS 57 HA CYS 57 -3.196 24.619 7.315
391 HB2 CYS 57 HB2 CYS 57 -5.013 26.165 7.954
392 HB3 CYS 57 HB3 CYS 57 -3.643 26.266 9.053
393 HG CYS 57 HG CYS 57 -5.153 28.723 7.820
394 H GLY 58 H GLY 58 -1.788 25.800 4.915
395 HA2 GLY 58 HA2 GLY 58 -2.246 26.349 2.721
396 HA3 GLY 58 HA3 GLY 58 -3.520 25.155 2.917
397 H PHE 59 H PHE 59 -3.206 28.349 4.422
398 HA PHE 59 HA PHE 59 -5.891 28.996 3.494
399 HB2 PHE 59 HB2 PHE 59 -5.510 29.428 5.819
400 HB3 PHE 59 HB3 PHE 59 -4.035 30.323 5.471
401 HD1 PHE 59 HD1 PHE 59 -7.603 30.442 4.370
402 HD2 PHE 59 HD2 PHE 59 -4.201 32.581 5.772
403 HE1 PHE 59 HE1 PHE 59 -8.894 32.534 4.300
404 HE2 PHE 59 HE2 PHE 59 -5.487 34.677 5.705
405 HZ PHE 59 HZ PHE 59 -7.837 34.656 4.967
406 H MET 60 H MET 60 -5.958 29.776 1.479
407 HA MET 60 HA MET 60 -3.827 31.331 0.352
408 HB2 MET 60 HB2 MET 60 -6.603 30.741 -0.689
409 HB3 MET 60 HB3 MET 60 -5.323 31.515 -1.613
410 HG2 MET 60 HG2 MET 60 -4.055 29.564 -1.721
411 HG3 MET 60 HG3 MET 60 -4.935 28.811 -0.393
412 HE1 MET 60 HE1 MET 60 -5.170 26.462 -2.334
413 HE2 MET 60 HE2 MET 60 -5.948 26.915 -0.817
414 HE3 MET 60 HE3 MET 60 -6.927 26.414 -2.196
415 H GLY 61 H GLY 61 -3.643 33.494 0.190
416 HA2 GLY 61 HA2 GLY 61 -5.971 35.182 0.730
417 HA3 GLY 61 HA3 GLY 61 -4.590 35.346 1.804
418 HA PRO 62 HA PRO 62 -4.193 38.161 -1.952
419 HB2 PRO 62 HB2 PRO 62 -4.240 40.508 -0.589
420 HB3 PRO 62 HB3 PRO 62 -5.701 39.724 -1.202
421 HG2 PRO 62 HG2 PRO 62 -4.554 39.695 1.563
422 HG3 PRO 62 HG3 PRO 62 -6.243 39.882 1.053
423 HD2 PRO 62 HD2 PRO 62 -5.246 37.533 1.959
424 HD3 PRO 62 HD3 PRO 62 -6.529 37.617 0.735
Start of MODEL 3
1 H1 GLY 1 H GLY 1 -2.867 14.981 -9.832
2 HA2 GLY 1 HA2 GLY 1 -3.376 14.194 -7.253
3 HA3 GLY 1 HA3 GLY 1 -1.793 13.522 -7.614
4 H ALA 2 H ALA 2 -2.029 15.310 -5.582
5 HA ALA 2 HA ALA 2 -0.800 17.743 -6.706
6 HB1 ALA 2 HB1 ALA 2 -2.723 17.427 -4.431
7 HB2 ALA 2 HB2 ALA 2 -1.633 18.812 -4.513
8 HB3 ALA 2 HB3 ALA 2 -2.796 18.527 -5.808
9 H MET 3 H MET 3 1.333 17.408 -6.445
10 HA MET 3 HA MET 3 2.370 16.106 -4.079
11 HB2 MET 3 HB2 MET 3 4.573 16.440 -5.154
12 HB3 MET 3 HB3 MET 3 3.425 15.626 -6.207
13 HG2 MET 3 HG2 MET 3 3.094 17.574 -7.506
14 HG3 MET 3 HG3 MET 3 3.943 18.579 -6.335
15 HE1 MET 3 HE1 MET 3 7.464 16.993 -6.460
16 HE2 MET 3 HE2 MET 3 7.036 18.702 -6.550
17 HE3 MET 3 HE3 MET 3 6.176 17.635 -5.440
18 H GLY 4 H GLY 4 3.470 17.049 -2.413
19 HA2 GLY 4 HA2 GLY 4 4.757 19.398 -2.171
20 HA3 GLY 4 HA3 GLY 4 3.075 19.901 -2.074
21 H SER 5 H SER 5 2.063 17.666 -0.670
22 HA SER 5 HA SER 5 3.084 18.306 1.986
23 HB2 SER 5 HB2 SER 5 0.593 16.864 1.058
24 HB3 SER 5 HB3 SER 5 1.032 17.059 2.755
25 HG SER 5 HG SER 5 0.874 19.283 2.508
26 H GLU 6 H GLU 6 2.343 15.434 0.024
27 HA GLU 6 HA GLU 6 3.733 13.725 1.924
28 HB2 GLU 6 HB2 GLU 6 1.742 12.763 1.078
29 HB3 GLU 6 HB3 GLU 6 2.146 13.192 -0.579
30 HG2 GLU 6 HG2 GLU 6 2.415 10.816 -0.218
31 HG3 GLU 6 HG3 GLU 6 3.970 11.572 -0.561
32 H SER 7 H SER 7 4.116 14.964 -1.350
33 HA SER 7 HA SER 7 6.233 13.430 -2.245
34 HB2 SER 7 HB2 SER 7 4.925 15.258 -3.486
35 HB3 SER 7 HB3 SER 7 6.063 16.396 -2.765
36 HG SER 7 HG SER 7 6.539 14.344 -4.632
37 H GLU 8 H GLU 8 6.371 16.459 -0.383
38 HA GLU 8 HA GLU 8 8.895 15.614 0.780
39 HB2 GLU 8 HB2 GLU 8 8.601 18.041 -0.973
40 HB3 GLU 8 HB3 GLU 8 9.837 17.960 0.275
41 HG2 GLU 8 HG2 GLU 8 10.593 15.801 -0.810
42 HG3 GLU 8 HG3 GLU 8 9.542 16.231 -2.159
43 H GLN 9 H GLN 9 9.616 17.173 2.500
44 HA GLN 9 HA GLN 9 7.551 18.901 3.578
45 HB2 GLN 9 HB2 GLN 9 8.545 16.499 5.121
46 HB3 GLN 9 HB3 GLN 9 7.514 17.769 5.766
47 HG2 GLN 9 HG2 GLN 9 5.798 17.163 4.090
48 HG3 GLN 9 HG3 GLN 9 6.822 15.822 3.580
49 HE21 GLN 9 HE21 GLN 9 4.217 15.509 4.530
50 HE22 GLN 9 HE22 GLN 9 4.277 14.648 6.026
51 H ARG 10 H ARG 10 8.399 20.582 4.662
52 HA ARG 10 HA ARG 10 11.286 20.491 5.240
53 HB2 ARG 10 HB2 ARG 10 9.478 22.724 4.355
54 HB3 ARG 10 HB3 ARG 10 11.012 23.061 5.147
55 HG2 ARG 10 HG2 ARG 10 11.615 23.154 2.941
56 HG3 ARG 10 HG3 ARG 10 11.976 21.468 3.319
57 HD2 ARG 10 HD2 ARG 10 9.766 20.831 2.420
58 HD3 ARG 10 HD3 ARG 10 9.487 22.514 1.976
59 HE ARG 10 HE ARG 10 11.117 20.607 0.587
60 HH11 ARG 10 HH11 ARG 10 10.612 23.992 1.227
61 HH12 ARG 10 HH12 ARG 10 11.377 24.516 -0.237
62 HH21 ARG 10 HH21 ARG 10 12.126 21.285 -1.343
63 HH22 ARG 10 HH22 ARG 10 12.236 22.976 -1.698
64 H HIS 11 H HIS 11 11.938 20.713 7.280
65 HA HIS 11 HA HIS 11 9.955 21.585 9.277
66 HB2 HIS 11 HB2 HIS 11 12.227 19.613 9.453
67 HB3 HIS 11 HB3 HIS 11 11.468 20.291 10.890
68 HD1 HIS 11 HD1 HIS 11 10.569 17.974 11.598
69 HD2 HIS 11 HD2 HIS 11 9.184 19.278 7.904
70 HE1 HIS 11 HE1 HIS 11 8.664 16.440 11.015
71 H ALA 12 H ALA 12 10.756 23.776 8.540
72 HA ALA 12 HA ALA 12 12.371 24.913 10.526
73 HB1 ALA 12 HB1 ALA 12 14.216 25.659 8.814
74 HB2 ALA 12 HB2 ALA 12 14.348 24.125 9.674
75 HB3 ALA 12 HB3 ALA 12 13.771 24.155 8.008
76 H HIS 13 H HIS 13 12.741 27.230 10.186
77 HA HIS 13 HA HIS 13 10.499 28.456 8.939
78 HB2 HIS 13 HB2 HIS 13 12.909 29.431 10.415
79 HB3 HIS 13 HB3 HIS 13 11.958 30.587 9.488
80 HD1 HIS 13 HD1 HIS 13 10.578 31.821 11.125
81 HD2 HIS 13 HD2 HIS 13 10.678 27.750 11.946
82 HE1 HIS 13 HE1 HIS 13 9.023 31.490 13.073
83 H GLN 14 H GLN 14 10.369 28.416 6.774
84 HA GLN 14 HA GLN 14 12.604 29.592 5.269
85 HB2 GLN 14 HB2 GLN 14 11.222 26.995 4.823
86 HB3 GLN 14 HB3 GLN 14 11.660 27.935 3.403
87 HG2 GLN 14 HG2 GLN 14 13.865 27.567 3.667
88 HG3 GLN 14 HG3 GLN 14 13.772 27.598 5.427
89 HE21 GLN 14 HE21 GLN 14 15.323 25.756 4.904
90 HE22 GLN 14 HE22 GLN 14 14.621 24.181 4.798
91 H CYS 15 H CYS 15 11.880 30.275 3.026
92 HA CYS 15 HA CYS 15 9.719 32.076 3.272
93 HB2 CYS 15 HB2 CYS 15 11.767 32.281 1.761
94 HB3 CYS 15 HB3 CYS 15 10.942 31.182 0.664
95 HG CYS 15 HG CYS 15 10.769 34.351 0.638
96 H VAL 16 H VAL 16 7.661 32.053 2.435
97 HA VAL 16 HA VAL 16 6.444 29.487 2.118
98 HB VAL 16 HB VAL 16 4.355 30.728 1.763
99 HG11 VAL 16 HG11 VAL 16 4.230 30.858 3.975
100 HG12 VAL 16 HG12 VAL 16 5.989 30.768 4.065
101 HG13 VAL 16 HG13 VAL 16 5.189 32.337 3.966
102 HG21 VAL 16 HG21 VAL 16 6.174 33.129 1.739
103 HG22 VAL 16 HG22 VAL 16 5.088 32.586 0.461
104 HG23 VAL 16 HG23 VAL 16 4.428 33.227 1.965
105 H SER 17 H SER 17 7.624 31.941 -0.040
106 HA SER 17 HA SER 17 6.216 30.975 -2.351
107 HB2 SER 17 HB2 SER 17 6.723 33.137 -2.812
108 HB3 SER 17 HB3 SER 17 8.127 33.138 -1.745
109 HG SER 17 HG SER 17 9.323 32.838 -3.432
110 H CYS 18 H CYS 18 9.693 31.089 -1.549
111 HA CYS 18 HA CYS 18 10.064 28.710 -3.242
112 HB2 CYS 18 HB2 CYS 18 11.931 30.960 -2.504
113 HB3 CYS 18 HB3 CYS 18 12.512 29.454 -3.202
114 HG CYS 18 HG CYS 18 11.292 32.089 -4.714
115 H GLY 19 H GLY 19 12.025 30.108 -0.625
116 HA2 GLY 19 HA2 GLY 19 11.576 28.573 1.509
117 HA3 GLY 19 HA3 GLY 19 12.420 27.438 0.465
118 H ILE 20 H ILE 20 13.023 30.906 0.761
119 HA ILE 20 HA ILE 20 15.791 30.683 0.865
120 HB ILE 20 HB ILE 20 14.071 32.884 2.015
121 HG12 ILE 20 HG12 ILE 20 15.268 33.745 -0.347
122 HG13 ILE 20 HG13 ILE 20 14.769 32.094 -0.698
123 HG21 ILE 20 HG21 ILE 20 17.019 32.705 1.472
124 HG22 ILE 20 HG22 ILE 20 16.175 34.250 1.572
125 HG23 ILE 20 HG23 ILE 20 16.199 33.168 2.964
126 HD11 ILE 20 HD11 ILE 20 13.197 34.315 -0.900
127 HD12 ILE 20 HD12 ILE 20 12.618 32.653 -0.784
128 HD13 ILE 20 HD13 ILE 20 12.723 33.653 0.664
129 H ASN 21 H ASN 21 17.301 30.662 2.503
130 HA ASN 21 HA ASN 21 16.480 29.415 4.950
131 HB2 ASN 21 HB2 ASN 21 18.949 29.590 5.501
132 HB3 ASN 21 HB3 ASN 21 18.559 28.690 4.039
133 HD21 ASN 21 HD21 ASN 21 20.787 29.103 3.480
134 HD22 ASN 21 HD22 ASN 21 21.213 30.606 2.743
135 H ILE 22 H ILE 22 15.050 31.371 5.417
136 HA ILE 22 HA ILE 22 16.564 33.503 6.758
137 HB ILE 22 HB ILE 22 14.379 34.715 6.821
138 HG12 ILE 22 HG12 ILE 22 13.456 32.563 4.908
139 HG13 ILE 22 HG13 ILE 22 12.991 32.624 6.605
140 HG21 ILE 22 HG21 ILE 22 15.055 35.713 4.954
141 HG22 ILE 22 HG22 ILE 22 16.178 34.373 4.716
142 HG23 ILE 22 HG23 ILE 22 14.579 34.326 3.974
143 HD11 ILE 22 HD11 ILE 22 11.447 34.180 6.229
144 HD12 ILE 22 HD12 ILE 22 12.518 35.125 5.195
145 HD13 ILE 22 HD13 ILE 22 11.627 33.758 4.527
146 H ALA 23 H ALA 23 16.323 30.913 7.947
147 HA ALA 23 HA ALA 23 14.258 30.795 9.868
148 HB1 ALA 23 HB1 ALA 23 15.498 29.025 10.881
149 HB2 ALA 23 HB2 ALA 23 15.684 28.877 9.134
150 HB3 ALA 23 HB3 ALA 23 16.992 29.552 10.106
151 H GLY 24 H GLY 24 13.926 32.186 11.469
152 HA2 GLY 24 HA2 GLY 24 14.322 33.501 13.314
153 HA3 GLY 24 HA3 GLY 24 15.922 32.781 13.399
154 H MET 25 H MET 25 15.102 34.253 10.418
155 HA MET 25 HA MET 25 17.088 36.319 10.885
156 HB2 MET 25 HB2 MET 25 15.647 35.283 8.467
157 HB3 MET 25 HB3 MET 25 16.482 36.829 8.402
158 HG2 MET 25 HG2 MET 25 17.794 34.253 9.226
159 HG3 MET 25 HG3 MET 25 17.799 34.881 7.579
160 HE1 MET 25 HE1 MET 25 20.216 37.667 7.479
161 HE2 MET 25 HE2 MET 25 20.259 36.005 6.892
162 HE3 MET 25 HE3 MET 25 18.761 36.932 6.808
163 H SER 26 H SER 26 16.429 38.468 9.564
164 HA SER 26 HA SER 26 14.146 39.516 11.039
165 HB2 SER 26 HB2 SER 26 15.004 41.730 10.063
166 HB3 SER 26 HB3 SER 26 16.046 40.911 11.226
167 HG SER 26 HG SER 26 16.385 40.291 8.530
168 H ALA 27 H ALA 27 13.289 37.793 9.122
169 HA ALA 27 HA ALA 27 12.496 39.377 6.798
170 HB1 ALA 27 HB1 ALA 27 11.341 36.804 6.686
171 HB2 ALA 27 HB2 ALA 27 12.689 37.437 5.741
172 HB3 ALA 27 HB3 ALA 27 12.995 36.607 7.267
173 H ALA 28 H ALA 28 10.200 39.197 6.072
174 HA ALA 28 HA ALA 28 8.451 40.265 7.947
175 HB1 ALA 28 HB1 ALA 28 6.781 40.149 6.299
176 HB2 ALA 28 HB2 ALA 28 8.292 40.326 5.407
177 HB3 ALA 28 HB3 ALA 28 7.520 38.745 5.528
178 H THR 29 H THR 29 8.009 39.204 9.795
179 HA THR 29 HA THR 29 7.094 36.412 9.611
180 HB THR 29 HB THR 29 7.609 37.494 12.298
181 HG1 THR 29 HG1 THR 29 9.908 37.350 11.988
182 HG21 THR 29 HG21 THR 29 7.203 35.050 11.388
183 HG22 THR 29 HG22 THR 29 8.947 35.100 11.131
184 HG23 THR 29 HG23 THR 29 8.287 35.346 12.748
185 H PHE 30 H PHE 30 5.093 35.847 10.280
186 HA PHE 30 HA PHE 30 3.488 37.655 11.876
187 HB2 PHE 30 HB2 PHE 30 1.630 37.705 10.233
188 HB3 PHE 30 HB3 PHE 30 3.070 38.536 9.652
189 HD1 PHE 30 HD1 PHE 30 4.584 37.328 8.033
190 HD2 PHE 30 HD2 PHE 30 0.680 35.949 9.021
191 HE1 PHE 30 HE1 PHE 30 4.559 35.949 5.995
192 HE2 PHE 30 HE2 PHE 30 0.650 34.567 6.986
193 HZ PHE 30 HZ PHE 30 2.591 34.565 5.470
194 H LYS 31 H LYS 31 1.148 36.646 12.018
195 HA LYS 31 HA LYS 31 1.500 33.747 12.412
196 HB2 LYS 31 HB2 LYS 31 1.284 34.826 14.545
197 HB3 LYS 31 HB3 LYS 31 -0.106 35.754 13.996
198 HG2 LYS 31 HG2 LYS 31 -1.383 33.655 13.782
199 HG3 LYS 31 HG3 LYS 31 0.004 32.776 14.430
200 HD2 LYS 31 HD2 LYS 31 -1.403 35.016 15.877
201 HD3 LYS 31 HD3 LYS 31 -1.767 33.305 16.114
202 HE2 LYS 31 HE2 LYS 31 0.511 32.902 16.853
203 HE3 LYS 31 HE3 LYS 31 0.931 34.586 16.544
204 HZ1 LYS 31 HZ1 LYS 31 -1.296 34.016 18.361
205 HZ2 LYS 31 HZ2 LYS 31 0.279 33.774 18.928
206 HZ3 LYS 31 HZ3 LYS 31 -0.196 35.301 18.376
207 H CYS 32 H CYS 32 0.237 32.461 11.248
208 HA CYS 32 HA CYS 32 -1.662 33.464 9.415
209 HB2 CYS 32 HB2 CYS 32 -0.325 31.318 9.212
210 HB3 CYS 32 HB3 CYS 32 -1.457 30.603 10.354
211 HG CYS 32 HG CYS 32 -3.486 31.766 8.283
212 HA PRO 33 HA PRO 33 -5.111 33.854 12.188
213 HB2 PRO 33 HB2 PRO 33 -6.943 34.500 10.292
214 HB3 PRO 33 HB3 PRO 33 -5.741 35.646 10.897
215 HG2 PRO 33 HG2 PRO 33 -5.710 34.015 8.386
216 HG3 PRO 33 HG3 PRO 33 -5.259 35.714 8.623
217 HD2 PRO 33 HD2 PRO 33 -3.424 33.730 8.455
218 HD3 PRO 33 HD3 PRO 33 -3.177 35.178 9.453
219 H ASP 34 H ASP 34 -4.599 31.498 9.838
220 HA ASP 34 HA ASP 34 -7.190 30.212 10.165
221 HB2 ASP 34 HB2 ASP 34 -5.735 30.324 7.989
222 HB3 ASP 34 HB3 ASP 34 -4.883 28.963 8.715
223 H CYS 35 H CYS 35 -3.768 29.382 10.715
224 HA CYS 35 HA CYS 35 -4.667 27.416 12.717
225 HB2 CYS 35 HB2 CYS 35 -2.365 26.389 12.333
226 HB3 CYS 35 HB3 CYS 35 -3.525 26.227 11.020
227 HG CYS 35 HG CYS 35 -1.450 26.767 9.503
228 H GLY 36 H GLY 36 -2.182 29.840 11.984
229 HA2 GLY 36 HA2 GLY 36 -1.540 31.464 13.634
230 HA3 GLY 36 HA3 GLY 36 -1.895 30.277 14.881
231 H GLN 37 H GLN 37 -0.178 29.202 12.096
232 HA GLN 37 HA GLN 37 2.130 28.600 13.728
233 HB2 GLN 37 HB2 GLN 37 1.646 28.073 10.790
234 HB3 GLN 37 HB3 GLN 37 2.949 27.399 11.759
235 HG2 GLN 37 HG2 GLN 37 0.225 26.923 12.767
236 HG3 GLN 37 HG3 GLN 37 0.640 26.127 11.249
237 HE21 GLN 37 HE21 GLN 37 0.448 24.129 12.370
238 HE22 GLN 37 HE22 GLN 37 1.733 23.556 13.372
239 H GLU 38 H GLU 38 3.864 29.844 13.918
240 HA GLU 38 HA GLU 38 4.159 32.356 12.824
241 HB2 GLU 38 HB2 GLU 38 5.459 31.162 14.742
242 HB3 GLU 38 HB3 GLU 38 6.574 30.697 13.465
243 HG2 GLU 38 HG2 GLU 38 7.098 32.955 12.978
244 HG3 GLU 38 HG3 GLU 38 5.783 33.546 13.991
245 H ILE 39 H ILE 39 4.297 32.913 10.759
246 HA ILE 39 HA ILE 39 5.665 31.127 8.877
247 HB ILE 39 HB ILE 39 4.031 33.543 8.136
248 HG12 ILE 39 HG12 ILE 39 3.082 30.705 8.576
249 HG13 ILE 39 HG13 ILE 39 2.601 32.124 9.500
250 HG21 ILE 39 HG21 ILE 39 5.588 32.417 6.489
251 HG22 ILE 39 HG22 ILE 39 4.514 31.020 6.574
252 HG23 ILE 39 HG23 ILE 39 3.903 32.568 5.990
253 HD11 ILE 39 HD11 ILE 39 1.449 31.054 7.137
254 HD12 ILE 39 HD12 ILE 39 0.917 32.427 8.108
255 HD13 ILE 39 HD13 ILE 39 2.060 32.671 6.787
256 H SER 40 H SER 40 7.426 31.742 7.719
257 HA SER 40 HA SER 40 8.508 34.429 8.268
258 HB2 SER 40 HB2 SER 40 9.865 31.750 8.200
259 HB3 SER 40 HB3 SER 40 10.778 33.217 7.848
260 HG SER 40 HG SER 40 10.732 33.722 9.889
261 H ARG 41 H ARG 41 8.393 35.627 6.494
262 HA ARG 41 HA ARG 41 8.910 34.342 3.893
263 HB2 ARG 41 HB2 ARG 41 7.204 36.758 4.520
264 HB3 ARG 41 HB3 ARG 41 7.548 36.165 2.901
265 HG2 ARG 41 HG2 ARG 41 6.464 34.018 3.515
266 HG3 ARG 41 HG3 ARG 41 6.015 34.739 5.062
267 HD2 ARG 41 HD2 ARG 41 5.102 35.505 2.304
268 HD3 ARG 41 HD3 ARG 41 4.125 34.978 3.674
269 HE ARG 41 HE ARG 41 5.293 37.266 4.555
270 HH11 ARG 41 HH11 ARG 41 3.396 36.433 1.757
271 HH12 ARG 41 HH12 ARG 41 2.699 38.011 1.598
272 HH21 ARG 41 HH21 ARG 41 4.381 39.347 4.357
273 HH22 ARG 41 HH22 ARG 41 3.260 39.668 3.077
274 H CYS 42 H CYS 42 10.589 35.049 2.735
275 HA CYS 42 HA CYS 42 12.407 36.935 3.827
276 HB2 CYS 42 HB2 CYS 42 12.815 34.908 2.217
277 HB3 CYS 42 HB3 CYS 42 12.502 36.091 0.952
278 HG CYS 42 HG CYS 42 14.853 37.116 0.923
279 H SER 43 H SER 43 13.234 38.838 2.627
280 HA SER 43 HA SER 43 11.310 40.779 2.277
281 HB2 SER 43 HB2 SER 43 13.857 40.964 0.711
282 HB3 SER 43 HB3 SER 43 13.026 42.208 1.645
283 HG SER 43 HG SER 43 14.987 41.347 2.615
284 H LYS 44 H LYS 44 12.877 38.782 -0.195
285 HA LYS 44 HA LYS 44 11.829 39.936 -2.478
286 HB2 LYS 44 HB2 LYS 44 12.276 36.985 -1.994
287 HB3 LYS 44 HB3 LYS 44 12.165 37.770 -3.564
288 HG2 LYS 44 HG2 LYS 44 14.264 38.495 -1.542
289 HG3 LYS 44 HG3 LYS 44 14.485 37.213 -2.736
290 HD2 LYS 44 HD2 LYS 44 14.386 38.717 -4.532
291 HD3 LYS 44 HD3 LYS 44 13.667 39.989 -3.541
292 HE2 LYS 44 HE2 LYS 44 16.390 38.941 -2.888
293 HE3 LYS 44 HE3 LYS 44 16.188 40.109 -4.194
294 HZ1 LYS 44 HZ1 LYS 44 16.694 41.135 -2.026
295 HZ2 LYS 44 HZ2 LYS 44 15.220 41.660 -2.671
296 HZ3 LYS 44 HZ3 LYS 44 15.238 40.529 -1.413
297 H CYS 45 H CYS 45 10.322 37.717 -0.212
298 HA CYS 45 HA CYS 45 8.097 36.941 -1.684
299 HB2 CYS 45 HB2 CYS 45 8.983 36.512 0.872
300 HB3 CYS 45 HB3 CYS 45 7.552 37.497 1.152
301 HG CYS 45 HG CYS 45 7.065 34.990 -1.011
302 H ARG 46 H ARG 46 8.857 39.990 -0.244
303 HA ARG 46 HA ARG 46 6.406 41.153 0.181
304 HB2 ARG 46 HB2 ARG 46 8.964 42.316 -0.909
305 HB3 ARG 46 HB3 ARG 46 7.553 43.311 -0.574
306 HG2 ARG 46 HG2 ARG 46 8.753 41.531 1.518
307 HG3 ARG 46 HG3 ARG 46 9.360 43.161 1.217
308 HD2 ARG 46 HD2 ARG 46 6.512 42.455 1.918
309 HD3 ARG 46 HD3 ARG 46 7.711 43.092 3.044
310 HE ARG 46 HE ARG 46 6.231 44.566 1.066
311 HH11 ARG 46 HH11 ARG 46 9.107 44.483 3.027
312 HH12 ARG 46 HH12 ARG 46 9.338 46.199 2.991
313 HH21 ARG 46 HH21 ARG 46 6.525 46.827 1.011
314 HH22 ARG 46 HH22 ARG 46 7.869 47.532 1.845
315 H LYS 47 H LYS 47 8.031 40.549 -2.873
316 HA LYS 47 HA LYS 47 6.147 42.040 -4.443
317 HB2 LYS 47 HB2 LYS 47 8.535 41.596 -5.102
318 HB3 LYS 47 HB3 LYS 47 8.081 39.920 -5.387
319 HG2 LYS 47 HG2 LYS 47 6.502 42.032 -6.745
320 HG3 LYS 47 HG3 LYS 47 8.136 41.708 -7.329
321 HD2 LYS 47 HD2 LYS 47 7.314 39.205 -7.205
322 HD3 LYS 47 HD3 LYS 47 5.724 39.959 -7.345
323 HE2 LYS 47 HE2 LYS 47 7.946 40.676 -9.225
324 HE3 LYS 47 HE3 LYS 47 6.958 39.241 -9.496
325 HZ1 LYS 47 HZ1 LYS 47 5.234 41.363 -8.953
326 HZ2 LYS 47 HZ2 LYS 47 6.353 41.918 -10.094
327 HZ3 LYS 47 HZ3 LYS 47 5.434 40.534 -10.414
328 H GLN 48 H GLN 48 6.554 38.688 -3.477
329 HA GLN 48 HA GLN 48 4.439 37.742 -5.194
330 HB2 GLN 48 HB2 GLN 48 6.208 36.491 -3.124
331 HB3 GLN 48 HB3 GLN 48 4.777 35.637 -3.685
332 HG2 GLN 48 HG2 GLN 48 6.679 36.728 -5.695
333 HG3 GLN 48 HG3 GLN 48 7.110 35.265 -4.812
334 HE21 GLN 48 HE21 GLN 48 5.423 33.542 -4.810
335 HE22 GLN 48 HE22 GLN 48 4.545 33.288 -6.276
336 H SER 49 H SER 49 4.403 39.553 -2.486
337 HA SER 49 HA SER 49 2.606 38.375 -0.733
338 HB2 SER 49 HB2 SER 49 3.885 40.718 -0.725
339 HB3 SER 49 HB3 SER 49 2.309 41.292 -1.268
340 HG SER 49 HG SER 49 1.425 40.708 0.611
341 H ASN 50 H ASN 50 2.053 39.866 -3.835
342 HA ASN 50 HA ASN 50 -0.646 40.433 -3.746
343 HB2 ASN 50 HB2 ASN 50 0.678 39.152 -6.135
344 HB3 ASN 50 HB3 ASN 50 -0.646 40.312 -6.122
345 HD21 ASN 50 HD21 ASN 50 2.172 40.228 -7.269
346 HD22 ASN 50 HD22 ASN 50 2.844 41.753 -6.812
347 H LEU 51 H LEU 51 0.945 37.339 -3.899
348 HA LEU 51 HA LEU 51 -1.569 36.005 -3.370
349 HB2 LEU 51 HB2 LEU 51 -1.057 36.189 -5.940
350 HB3 LEU 51 HB3 LEU 51 0.047 34.859 -5.598
351 HG LEU 51 HG LEU 51 -2.082 34.044 -6.454
352 HD11 LEU 51 HD11 LEU 51 -0.858 32.644 -4.891
353 HD12 LEU 51 HD12 LEU 51 -1.664 33.428 -3.532
354 HD13 LEU 51 HD13 LEU 51 -2.597 32.450 -4.666
355 HD21 LEU 51 HD21 LEU 51 -4.073 34.803 -5.800
356 HD22 LEU 51 HD22 LEU 51 -3.665 34.639 -4.092
357 HD23 LEU 51 HD23 LEU 51 -3.194 36.091 -4.975
358 H TYR 52 H TYR 52 -0.988 35.022 -1.538
359 HA TYR 52 HA TYR 52 1.449 33.368 -1.583
360 HB2 TYR 52 HB2 TYR 52 1.958 33.938 0.650
361 HB3 TYR 52 HB3 TYR 52 1.540 35.465 -0.120
362 HD1 TYR 52 HD1 TYR 52 -1.036 36.102 0.079
363 HD2 TYR 52 HD2 TYR 52 1.035 33.479 2.713
364 HE1 TYR 52 HE1 TYR 52 -2.730 36.517 1.814
365 HE2 TYR 52 HE2 TYR 52 -0.654 33.886 4.455
366 HH TYR 52 HH TYR 52 -3.063 34.617 4.548
367 H GLU 53 H GLU 53 1.337 31.738 0.352
368 HA GLU 53 HA GLU 53 -1.304 30.782 0.991
369 HB2 GLU 53 HB2 GLU 53 -1.104 29.846 -1.231
370 HB3 GLU 53 HB3 GLU 53 0.486 29.198 -0.856
371 HG2 GLU 53 HG2 GLU 53 -1.294 28.188 1.082
372 HG3 GLU 53 HG3 GLU 53 -2.073 28.006 -0.488
373 H CYS 54 H CYS 54 -1.226 29.990 2.982
374 HA CYS 54 HA CYS 54 1.182 29.702 4.411
375 HB2 CYS 54 HB2 CYS 54 -1.010 30.237 5.448
376 HB3 CYS 54 HB3 CYS 54 -1.542 28.593 5.117
377 HG CYS 54 HG CYS 54 1.295 28.943 6.917
378 HA PRO 55 HA PRO 55 2.206 25.638 2.828
379 HB2 PRO 55 HB2 PRO 55 4.617 25.497 4.067
380 HB3 PRO 55 HB3 PRO 55 4.351 26.424 2.585
381 HG2 PRO 55 HG2 PRO 55 4.462 27.376 5.421
382 HG3 PRO 55 HG3 PRO 55 5.178 28.100 3.969
383 HD2 PRO 55 HD2 PRO 55 2.873 29.007 5.065
384 HD3 PRO 55 HD3 PRO 55 3.189 29.068 3.319
385 H ASP 56 H ASP 56 1.651 26.680 6.024
386 HA ASP 56 HA ASP 56 2.214 24.155 7.299
387 HB2 ASP 56 HB2 ASP 56 1.881 26.783 8.177
388 HB3 ASP 56 HB3 ASP 56 0.480 25.926 8.812
389 H CYS 57 H CYS 57 -0.769 26.049 6.791
390 HA CYS 57 HA CYS 57 -2.290 23.539 6.977
391 HB2 CYS 57 HB2 CYS 57 -4.246 24.959 7.468
392 HB3 CYS 57 HB3 CYS 57 -2.944 25.216 8.623
393 HG CYS 57 HG CYS 57 -4.578 27.474 7.131
394 H GLY 58 H GLY 58 -0.847 24.729 4.605
395 HA2 GLY 58 HA2 GLY 58 -1.227 25.167 2.371
396 HA3 GLY 58 HA3 GLY 58 -2.417 23.886 2.550
397 H PHE 59 H PHE 59 -2.447 27.129 3.972
398 HA PHE 59 HA PHE 59 -5.111 27.539 2.870
399 HB2 PHE 59 HB2 PHE 59 -4.914 28.081 5.187
400 HB3 PHE 59 HB3 PHE 59 -3.472 29.050 4.905
401 HD1 PHE 59 HD1 PHE 59 -6.737 29.031 3.123
402 HD2 PHE 59 HD2 PHE 59 -4.010 31.197 5.570
403 HE1 PHE 59 HE1 PHE 59 -8.138 31.041 2.900
404 HE2 PHE 59 HE2 PHE 59 -5.407 33.210 5.351
405 HZ PHE 59 HZ PHE 59 -7.475 33.134 4.015
406 H MET 60 H MET 60 -5.046 28.175 0.792
407 HA MET 60 HA MET 60 -3.017 29.959 -0.199
408 HB2 MET 60 HB2 MET 60 -4.469 28.047 -1.396
409 HB3 MET 60 HB3 MET 60 -5.467 29.439 -1.794
410 HG2 MET 60 HG2 MET 60 -2.791 30.159 -2.317
411 HG3 MET 60 HG3 MET 60 -3.048 28.557 -3.005
412 HE1 MET 60 HE1 MET 60 -2.486 29.322 -5.187
413 HE2 MET 60 HE2 MET 60 -3.962 28.479 -5.656
414 HE3 MET 60 HE3 MET 60 -3.610 30.076 -6.317
415 H GLY 61 H GLY 61 -3.185 32.106 -0.657
416 HA2 GLY 61 HA2 GLY 61 -5.756 33.448 -0.497
417 HA3 GLY 61 HA3 GLY 61 -4.621 33.853 0.782
418 HA PRO 62 HA PRO 62 -3.978 36.616 -2.960
419 HB2 PRO 62 HB2 PRO 62 -4.447 38.961 -1.674
420 HB3 PRO 62 HB3 PRO 62 -5.726 38.018 -2.449
421 HG2 PRO 62 HG2 PRO 62 -4.951 38.144 0.440
422 HG3 PRO 62 HG3 PRO 62 -6.569 38.144 -0.285
423 HD2 PRO 62 HD2 PRO 62 -5.459 35.925 0.799
424 HD3 PRO 62 HD3 PRO 62 -6.574 35.858 -0.581
Start of MODEL 4
1 H1 GLY 1 H GLY 1 13.559 5.804 -6.760
2 HA2 GLY 1 HA2 GLY 1 11.019 6.443 -5.790
3 HA3 GLY 1 HA3 GLY 1 12.462 6.278 -4.801
4 H ALA 2 H ALA 2 14.000 8.257 -5.052
5 HA ALA 2 HA ALA 2 14.362 10.456 -4.591
6 HB1 ALA 2 HB1 ALA 2 11.874 11.175 -6.091
7 HB2 ALA 2 HB2 ALA 2 13.414 12.030 -6.005
8 HB3 ALA 2 HB3 ALA 2 13.283 10.541 -6.940
9 H MET 3 H MET 3 13.157 9.120 -2.560
10 HA MET 3 HA MET 3 10.822 10.559 -1.651
11 HB2 MET 3 HB2 MET 3 12.531 8.403 -0.418
12 HB3 MET 3 HB3 MET 3 11.203 9.166 0.446
13 HG2 MET 3 HG2 MET 3 9.785 8.482 -1.596
14 HG3 MET 3 HG3 MET 3 11.117 7.384 -1.950
15 HE1 MET 3 HE1 MET 3 9.660 5.563 -2.037
16 HE2 MET 3 HE2 MET 3 9.178 4.583 -0.653
17 HE3 MET 3 HE3 MET 3 8.115 5.861 -1.241
18 H GLY 4 H GLY 4 10.733 12.135 -0.117
19 HA2 GLY 4 HA2 GLY 4 12.860 12.763 1.654
20 HA3 GLY 4 HA3 GLY 4 12.887 13.843 0.268
21 H SER 5 H SER 5 11.807 15.675 0.505
22 HA SER 5 HA SER 5 10.254 16.234 2.793
23 HB2 SER 5 HB2 SER 5 9.745 18.378 1.666
24 HB3 SER 5 HB3 SER 5 11.464 17.992 1.603
25 HG SER 5 HG SER 5 9.890 18.537 -0.417
26 H GLU 6 H GLU 6 9.396 15.424 -0.535
27 HA GLU 6 HA GLU 6 6.644 15.908 -0.378
28 HB2 GLU 6 HB2 GLU 6 6.498 14.211 -2.250
29 HB3 GLU 6 HB3 GLU 6 7.585 15.564 -2.527
30 HG2 GLU 6 HG2 GLU 6 9.062 13.472 -1.300
31 HG3 GLU 6 HG3 GLU 6 8.145 12.797 -2.647
32 H SER 7 H SER 7 8.567 13.116 0.554
33 HA SER 7 HA SER 7 6.361 11.384 1.038
34 HB2 SER 7 HB2 SER 7 8.326 10.195 0.742
35 HB3 SER 7 HB3 SER 7 9.283 11.339 1.683
36 HG SER 7 HG SER 7 8.999 10.047 3.301
37 H GLU 8 H GLU 8 8.416 13.362 3.158
38 HA GLU 8 HA GLU 8 6.234 13.715 5.008
39 HB2 GLU 8 HB2 GLU 8 7.303 12.763 6.942
40 HB3 GLU 8 HB3 GLU 8 7.211 11.529 5.693
41 HG2 GLU 8 HG2 GLU 8 9.596 12.198 5.096
42 HG3 GLU 8 HG3 GLU 8 9.610 13.058 6.635
43 H GLN 9 H GLN 9 6.683 15.316 6.635
44 HA GLN 9 HA GLN 9 9.187 16.764 6.480
45 HB2 GLN 9 HB2 GLN 9 7.926 18.940 6.064
46 HB3 GLN 9 HB3 GLN 9 8.143 17.875 4.682
47 HG2 GLN 9 HG2 GLN 9 5.909 17.226 4.674
48 HG3 GLN 9 HG3 GLN 9 5.647 17.776 6.328
49 HE21 GLN 9 HE21 GLN 9 4.207 19.347 6.247
50 HE22 GLN 9 HE22 GLN 9 4.246 20.704 5.178
51 H ARG 10 H ARG 10 9.237 18.594 8.052
52 HA ARG 10 HA ARG 10 7.427 18.093 10.322
53 HB2 ARG 10 HB2 ARG 10 10.341 17.995 10.181
54 HB3 ARG 10 HB3 ARG 10 9.760 19.073 11.444
55 HG2 ARG 10 HG2 ARG 10 10.105 16.893 12.371
56 HG3 ARG 10 HG3 ARG 10 8.373 17.225 12.325
57 HD2 ARG 10 HD2 ARG 10 7.968 15.583 10.838
58 HD3 ARG 10 HD3 ARG 10 9.449 15.900 9.935
59 HE ARG 10 HE ARG 10 9.076 13.955 11.993
60 HH11 ARG 10 HH11 ARG 10 11.412 16.054 10.492
61 HH12 ARG 10 HH12 ARG 10 12.771 15.072 10.932
62 HH21 ARG 10 HH21 ARG 10 10.856 12.654 12.578
63 HH22 ARG 10 HH22 ARG 10 12.453 13.138 12.118
64 H HIS 11 H HIS 11 10.007 20.463 9.723
65 HA HIS 11 HA HIS 11 8.007 22.595 10.103
66 HB2 HIS 11 HB2 HIS 11 10.913 22.513 10.929
67 HB3 HIS 11 HB3 HIS 11 9.925 23.970 10.975
68 HD1 HIS 11 HD1 HIS 11 11.180 22.792 13.539
69 HD2 HIS 11 HD2 HIS 11 7.321 21.986 12.228
70 HE1 HIS 11 HE1 HIS 11 9.907 22.087 15.590
71 H ALA 12 H ALA 12 8.236 21.714 7.590
72 HA ALA 12 HA ALA 12 10.274 22.883 6.028
73 HB1 ALA 12 HB1 ALA 12 8.315 22.660 4.233
74 HB2 ALA 12 HB2 ALA 12 9.230 21.272 4.819
75 HB3 ALA 12 HB3 ALA 12 7.643 21.631 5.499
76 H HIS 13 H HIS 13 10.604 25.033 6.417
77 HA HIS 13 HA HIS 13 8.326 26.856 6.084
78 HB2 HIS 13 HB2 HIS 13 10.872 26.973 7.594
79 HB3 HIS 13 HB3 HIS 13 10.325 28.486 6.876
80 HD1 HIS 13 HD1 HIS 13 10.169 29.068 9.555
81 HD2 HIS 13 HD2 HIS 13 7.308 26.497 7.985
82 HE1 HIS 13 HE1 HIS 13 8.280 29.070 11.215
83 H GLN 14 H GLN 14 8.057 27.517 4.057
84 HA GLN 14 HA GLN 14 10.434 28.376 2.551
85 HB2 GLN 14 HB2 GLN 14 8.262 26.517 1.742
86 HB3 GLN 14 HB3 GLN 14 8.834 27.653 0.528
87 HG2 GLN 14 HG2 GLN 14 10.824 26.626 0.302
88 HG3 GLN 14 HG3 GLN 14 10.919 26.193 2.009
89 HE21 GLN 14 HE21 GLN 14 11.752 24.222 0.755
90 HE22 GLN 14 HE22 GLN 14 10.581 22.996 0.428
91 H CYS 15 H CYS 15 9.827 29.845 0.694
92 HA CYS 15 HA CYS 15 8.351 32.042 1.705
93 HB2 CYS 15 HB2 CYS 15 10.308 32.102 0.068
94 HB3 CYS 15 HB3 CYS 15 9.149 31.653 -1.177
95 HG CYS 15 HG CYS 15 8.084 34.257 0.577
96 H VAL 16 H VAL 16 6.352 32.842 1.166
97 HA VAL 16 HA VAL 16 4.402 30.938 0.304
98 HB VAL 16 HB VAL 16 2.763 32.681 0.651
99 HG11 VAL 16 HG11 VAL 16 3.023 32.972 2.956
100 HG12 VAL 16 HG12 VAL 16 3.962 31.522 2.599
101 HG13 VAL 16 HG13 VAL 16 4.781 33.066 2.838
102 HG21 VAL 16 HG21 VAL 16 4.021 34.912 1.580
103 HG22 VAL 16 HG22 VAL 16 5.087 34.424 0.262
104 HG23 VAL 16 HG23 VAL 16 3.377 34.724 -0.051
105 H SER 17 H SER 17 6.189 33.502 -1.214
106 HA SER 17 HA SER 17 4.467 33.718 -3.505
107 HB2 SER 17 HB2 SER 17 5.588 35.684 -3.424
108 HB3 SER 17 HB3 SER 17 6.954 34.980 -2.558
109 HG SER 17 HG SER 17 7.894 35.223 -4.434
110 H CYS 18 H CYS 18 7.842 32.608 -3.152
111 HA CYS 18 HA CYS 18 7.416 30.867 -5.485
112 HB2 CYS 18 HB2 CYS 18 9.770 32.369 -4.453
113 HB3 CYS 18 HB3 CYS 18 10.075 30.831 -5.250
114 HG CYS 18 HG CYS 18 8.391 31.813 -7.504
115 H GLY 19 H GLY 19 9.770 30.752 -2.822
116 HA2 GLY 19 HA2 GLY 19 8.930 28.832 -1.182
117 HA3 GLY 19 HA3 GLY 19 9.330 27.881 -2.604
118 H ILE 20 H ILE 20 11.022 30.742 -1.406
119 HA ILE 20 HA ILE 20 13.574 29.690 -1.730
120 HB ILE 20 HB ILE 20 12.686 31.829 0.209
121 HG12 ILE 20 HG12 ILE 20 14.005 33.026 -1.905
122 HG13 ILE 20 HG13 ILE 20 13.075 31.753 -2.689
123 HG21 ILE 20 HG21 ILE 20 15.036 32.580 0.109
124 HG22 ILE 20 HG22 ILE 20 14.860 30.982 0.834
125 HG23 ILE 20 HG23 ILE 20 15.432 31.138 -0.827
126 HD11 ILE 20 HD11 ILE 20 11.102 32.751 -2.265
127 HD12 ILE 20 HD12 ILE 20 11.634 33.398 -0.713
128 HD13 ILE 20 HD13 ILE 20 12.114 34.194 -2.212
129 H ASN 21 H ASN 21 15.045 28.705 -0.379
130 HA ASN 21 HA ASN 21 13.938 27.081 1.713
131 HB2 ASN 21 HB2 ASN 21 16.815 27.404 0.830
132 HB3 ASN 21 HB3 ASN 21 16.195 26.133 1.881
133 HD21 ASN 21 HD21 ASN 21 16.768 27.113 -1.300
134 HD22 ASN 21 HD22 ASN 21 15.999 25.792 -2.105
135 H ILE 22 H ILE 22 13.347 29.332 2.752
136 HA ILE 22 HA ILE 22 15.535 30.279 4.455
137 HB ILE 22 HB ILE 22 13.984 32.100 5.094
138 HG12 ILE 22 HG12 ILE 22 12.169 30.915 2.983
139 HG13 ILE 22 HG13 ILE 22 11.884 30.824 4.717
140 HG21 ILE 22 HG21 ILE 22 13.808 32.405 2.223
141 HG22 ILE 22 HG22 ILE 22 14.795 33.282 3.391
142 HG23 ILE 22 HG23 ILE 22 15.373 31.758 2.716
143 HD11 ILE 22 HD11 ILE 22 10.917 32.810 4.707
144 HD12 ILE 22 HD12 ILE 22 12.322 33.545 3.934
145 HD13 ILE 22 HD13 ILE 22 11.053 32.817 2.949
146 H ALA 23 H ALA 23 14.418 27.691 4.937
147 HA ALA 23 HA ALA 23 12.596 27.881 7.155
148 HB1 ALA 23 HB1 ALA 23 14.186 25.429 6.509
149 HB2 ALA 23 HB2 ALA 23 12.551 25.562 7.157
150 HB3 ALA 23 HB3 ALA 23 12.863 25.944 5.463
151 H GLY 24 H GLY 24 13.214 28.543 9.103
152 HA2 GLY 24 HA2 GLY 24 14.377 28.261 11.134
153 HA3 GLY 24 HA3 GLY 24 15.667 27.451 10.257
154 H MET 25 H MET 25 15.614 29.693 8.233
155 HA MET 25 HA MET 25 17.592 31.314 9.537
156 HB2 MET 25 HB2 MET 25 16.374 31.753 6.810
157 HB3 MET 25 HB3 MET 25 17.924 32.342 7.396
158 HG2 MET 25 HG2 MET 25 17.186 29.472 6.873
159 HG3 MET 25 HG3 MET 25 18.233 30.485 5.882
160 HE1 MET 25 HE1 MET 25 21.480 30.780 7.843
161 HE2 MET 25 HE2 MET 25 20.608 31.054 6.335
162 HE3 MET 25 HE3 MET 25 20.195 31.986 7.774
163 H SER 26 H SER 26 17.298 33.823 8.619
164 HA SER 26 HA SER 26 15.020 34.775 10.176
165 HB2 SER 26 HB2 SER 26 16.876 35.953 10.888
166 HB3 SER 26 HB3 SER 26 17.618 35.958 9.288
167 HG SER 26 HG SER 26 16.861 38.020 9.772
168 H ALA 27 H ALA 27 13.311 35.826 9.339
169 HA ALA 27 HA ALA 27 13.270 37.250 6.921
170 HB1 ALA 27 HB1 ALA 27 11.676 34.800 6.473
171 HB2 ALA 27 HB2 ALA 27 12.541 35.820 5.324
172 HB3 ALA 27 HB3 ALA 27 13.426 34.653 6.306
173 H ALA 28 H ALA 28 10.937 37.656 6.182
174 HA ALA 28 HA ALA 28 9.453 38.628 8.348
175 HB1 ALA 28 HB1 ALA 28 7.782 38.189 6.044
176 HB2 ALA 28 HB2 ALA 28 8.360 39.703 6.740
177 HB3 ALA 28 HB3 ALA 28 9.351 38.838 5.565
178 H THR 29 H THR 29 8.885 37.138 9.871
179 HA THR 29 HA THR 29 7.187 34.897 8.987
180 HB THR 29 HB THR 29 8.190 34.795 11.746
181 HG1 THR 29 HG1 THR 29 10.258 34.893 11.305
182 HG21 THR 29 HG21 THR 29 8.420 32.802 9.493
183 HG22 THR 29 HG22 THR 29 8.522 32.484 11.224
184 HG23 THR 29 HG23 THR 29 6.987 32.972 10.506
185 H PHE 30 H PHE 30 5.171 34.664 9.809
186 HA PHE 30 HA PHE 30 4.318 36.169 12.128
187 HB2 PHE 30 HB2 PHE 30 2.597 37.437 11.043
188 HB3 PHE 30 HB3 PHE 30 4.103 37.758 10.190
189 HD1 PHE 30 HD1 PHE 30 4.542 36.067 8.168
190 HD2 PHE 30 HD2 PHE 30 0.730 37.065 9.776
191 HE1 PHE 30 HE1 PHE 30 3.480 35.413 6.047
192 HE2 PHE 30 HE2 PHE 30 -0.339 36.413 7.658
193 HZ PHE 30 HZ PHE 30 1.036 35.585 5.790
194 H LYS 31 H LYS 31 1.852 35.800 12.444
195 HA LYS 31 HA LYS 31 1.327 32.962 11.869
196 HB2 LYS 31 HB2 LYS 31 1.498 33.322 14.224
197 HB3 LYS 31 HB3 LYS 31 0.459 34.738 14.149
198 HG2 LYS 31 HG2 LYS 31 -1.430 33.296 13.523
199 HG3 LYS 31 HG3 LYS 31 -0.378 31.886 13.666
200 HD2 LYS 31 HD2 LYS 31 -0.681 33.794 15.955
201 HD3 LYS 31 HD3 LYS 31 -1.896 32.548 15.663
202 HE2 LYS 31 HE2 LYS 31 -0.425 30.824 16.111
203 HE3 LYS 31 HE3 LYS 31 0.995 31.803 15.746
204 HZ1 LYS 31 HZ1 LYS 31 0.034 31.244 18.231
205 HZ2 LYS 31 HZ2 LYS 31 1.145 32.462 17.850
206 HZ3 LYS 31 HZ3 LYS 31 -0.504 32.825 17.959
207 H CYS 32 H CYS 32 -0.309 32.463 10.571
208 HA CYS 32 HA CYS 32 -1.902 34.437 9.331
209 HB2 CYS 32 HB2 CYS 32 -1.259 32.184 8.371
210 HB3 CYS 32 HB3 CYS 32 -2.487 31.476 9.413
211 HG CYS 32 HG CYS 32 -3.348 33.955 7.248
212 HA PRO 33 HA PRO 33 -4.986 34.886 12.494
213 HB2 PRO 33 HB2 PRO 33 -6.640 36.504 11.073
214 HB3 PRO 33 HB3 PRO 33 -5.138 37.075 11.810
215 HG2 PRO 33 HG2 PRO 33 -5.676 36.287 8.972
216 HG3 PRO 33 HG3 PRO 33 -4.754 37.668 9.594
217 HD2 PRO 33 HD2 PRO 33 -3.564 35.411 8.686
218 HD3 PRO 33 HD3 PRO 33 -2.875 36.393 9.995
219 H ASP 34 H ASP 34 -5.280 33.289 9.533
220 HA ASP 34 HA ASP 34 -8.107 32.675 9.826
221 HB2 ASP 34 HB2 ASP 34 -6.800 33.034 7.598
222 HB3 ASP 34 HB3 ASP 34 -6.290 31.363 7.829
223 H CYS 35 H CYS 35 -5.054 30.838 9.688
224 HA CYS 35 HA CYS 35 -6.388 28.691 11.199
225 HB2 CYS 35 HB2 CYS 35 -4.492 27.255 10.278
226 HB3 CYS 35 HB3 CYS 35 -5.706 27.788 9.122
227 HG CYS 35 HG CYS 35 -4.059 29.937 8.201
228 H GLY 36 H GLY 36 -3.340 30.473 10.839
229 HA2 GLY 36 HA2 GLY 36 -2.186 31.321 12.766
230 HA3 GLY 36 HA3 GLY 36 -2.827 29.974 13.694
231 H GLN 37 H GLN 37 -1.602 29.314 10.542
232 HA GLN 37 HA GLN 37 0.483 27.666 11.678
233 HB2 GLN 37 HB2 GLN 37 -0.220 28.151 8.779
234 HB3 GLN 37 HB3 GLN 37 0.836 26.886 9.394
235 HG2 GLN 37 HG2 GLN 37 -2.018 27.085 10.272
236 HG3 GLN 37 HG3 GLN 37 -1.573 26.278 8.769
237 HE21 GLN 37 HE21 GLN 37 -1.061 26.285 12.249
238 HE22 GLN 37 HE22 GLN 37 -0.660 24.610 12.379
239 H GLU 38 H GLU 38 2.525 28.260 11.959
240 HA GLU 38 HA GLU 38 3.508 30.804 11.559
241 HB2 GLU 38 HB2 GLU 38 4.495 28.893 12.947
242 HB3 GLU 38 HB3 GLU 38 5.264 28.358 11.460
243 HG2 GLU 38 HG2 GLU 38 6.643 30.215 11.349
244 HG3 GLU 38 HG3 GLU 38 5.614 31.165 12.419
245 H ILE 39 H ILE 39 3.710 31.889 9.723
246 HA ILE 39 HA ILE 39 4.424 30.440 7.272
247 HB ILE 39 HB ILE 39 3.552 33.307 7.317
248 HG12 ILE 39 HG12 ILE 39 1.745 30.881 7.398
249 HG13 ILE 39 HG13 ILE 39 1.875 32.126 8.636
250 HG21 ILE 39 HG21 ILE 39 2.917 32.928 5.086
251 HG22 ILE 39 HG22 ILE 39 4.467 32.108 5.270
252 HG23 ILE 39 HG23 ILE 39 2.970 31.176 5.282
253 HD11 ILE 39 HD11 ILE 39 0.146 32.040 6.419
254 HD12 ILE 39 HD12 ILE 39 0.315 33.315 7.626
255 HD13 ILE 39 HD13 ILE 39 1.275 33.367 6.147
256 H SER 40 H SER 40 6.295 30.789 6.229
257 HA SER 40 HA SER 40 8.087 32.857 7.322
258 HB2 SER 40 HB2 SER 40 8.529 30.043 6.511
259 HB3 SER 40 HB3 SER 40 9.791 31.185 6.045
260 HG SER 40 HG SER 40 8.779 30.765 8.665
261 H ARG 41 H ARG 41 8.281 34.545 6.019
262 HA ARG 41 HA ARG 41 8.227 34.091 3.108
263 HB2 ARG 41 HB2 ARG 41 7.285 36.440 4.746
264 HB3 ARG 41 HB3 ARG 41 7.540 36.540 3.009
265 HG2 ARG 41 HG2 ARG 41 5.770 35.127 2.536
266 HG3 ARG 41 HG3 ARG 41 5.771 34.421 4.153
267 HD2 ARG 41 HD2 ARG 41 3.858 35.935 3.760
268 HD3 ARG 41 HD3 ARG 41 4.888 36.458 5.091
269 HE ARG 41 HE ARG 41 5.884 37.842 3.013
270 HH11 ARG 41 HH11 ARG 41 2.640 37.392 4.194
271 HH12 ARG 41 HH12 ARG 41 2.088 38.942 3.652
272 HH21 ARG 41 HH21 ARG 41 5.170 39.885 2.295
273 HH22 ARG 41 HH22 ARG 41 3.528 40.359 2.571
274 H CYS 42 H CYS 42 9.931 34.734 1.929
275 HA CYS 42 HA CYS 42 12.312 35.579 3.265
276 HB2 CYS 42 HB2 CYS 42 12.012 34.095 1.124
277 HB3 CYS 42 HB3 CYS 42 12.013 35.641 0.284
278 HG CYS 42 HG CYS 42 14.560 36.038 0.321
279 H SER 43 H SER 43 13.613 37.451 2.508
280 HA SER 43 HA SER 43 12.361 39.857 2.977
281 HB2 SER 43 HB2 SER 43 14.842 39.423 1.295
282 HB3 SER 43 HB3 SER 43 14.368 40.936 2.067
283 HG SER 43 HG SER 43 15.019 40.195 3.944
284 H LYS 44 H LYS 44 13.049 38.330 -0.145
285 HA LYS 44 HA LYS 44 12.264 40.351 -1.858
286 HB2 LYS 44 HB2 LYS 44 11.898 37.365 -2.156
287 HB3 LYS 44 HB3 LYS 44 11.694 38.523 -3.464
288 HG2 LYS 44 HG2 LYS 44 14.243 38.085 -1.922
289 HG3 LYS 44 HG3 LYS 44 13.882 37.412 -3.513
290 HD2 LYS 44 HD2 LYS 44 13.586 39.749 -4.347
291 HD3 LYS 44 HD3 LYS 44 14.157 40.324 -2.779
292 HE2 LYS 44 HE2 LYS 44 16.305 39.486 -3.121
293 HE3 LYS 44 HE3 LYS 44 15.775 38.384 -4.391
294 HZ1 LYS 44 HZ1 LYS 44 15.406 40.263 -5.842
295 HZ2 LYS 44 HZ2 LYS 44 15.853 41.344 -4.620
296 HZ3 LYS 44 HZ3 LYS 44 16.999 40.285 -5.273
297 H CYS 45 H CYS 45 10.288 38.100 -0.027
298 HA CYS 45 HA CYS 45 7.835 38.441 -1.273
299 HB2 CYS 45 HB2 CYS 45 8.671 37.028 0.866
300 HB3 CYS 45 HB3 CYS 45 7.808 38.322 1.689
301 HG CYS 45 HG CYS 45 5.684 37.578 -0.483
302 H ARG 46 H ARG 46 9.612 40.614 0.756
303 HA ARG 46 HA ARG 46 7.688 42.276 1.787
304 HB2 ARG 46 HB2 ARG 46 10.409 42.920 0.660
305 HB3 ARG 46 HB3 ARG 46 9.410 44.125 1.460
306 HG2 ARG 46 HG2 ARG 46 9.442 42.847 3.510
307 HG3 ARG 46 HG3 ARG 46 10.346 41.555 2.717
308 HD2 ARG 46 HD2 ARG 46 11.306 44.390 3.092
309 HD3 ARG 46 HD3 ARG 46 11.790 43.010 4.076
310 HE ARG 46 HE ARG 46 12.428 42.211 1.584
311 HH11 ARG 46 HH11 ARG 46 13.106 45.114 3.382
312 HH12 ARG 46 HH12 ARG 46 14.618 45.408 2.588
313 HH21 ARG 46 HH21 ARG 46 14.417 42.588 0.532
314 HH22 ARG 46 HH22 ARG 46 15.362 43.971 0.967
315 H LYS 47 H LYS 47 8.873 42.108 -1.516
316 HA LYS 47 HA LYS 47 7.464 44.453 -2.387
317 HB2 LYS 47 HB2 LYS 47 8.879 42.231 -3.856
318 HB3 LYS 47 HB3 LYS 47 8.058 43.544 -4.690
319 HG2 LYS 47 HG2 LYS 47 10.178 44.065 -2.636
320 HG3 LYS 47 HG3 LYS 47 10.571 43.753 -4.328
321 HD2 LYS 47 HD2 LYS 47 9.446 45.684 -5.056
322 HD3 LYS 47 HD3 LYS 47 8.591 45.865 -3.523
323 HE2 LYS 47 HE2 LYS 47 10.403 46.784 -2.465
324 HE3 LYS 47 HE3 LYS 47 11.564 45.959 -3.503
325 HZ1 LYS 47 HZ1 LYS 47 9.963 47.778 -4.991
326 HZ2 LYS 47 HZ2 LYS 47 10.738 48.570 -3.712
327 HZ3 LYS 47 HZ3 LYS 47 11.647 47.705 -4.846
328 H GLN 48 H GLN 48 6.874 40.988 -2.386
329 HA GLN 48 HA GLN 48 4.467 41.220 -3.963
330 HB2 GLN 48 HB2 GLN 48 6.087 39.203 -3.832
331 HB3 GLN 48 HB3 GLN 48 5.235 38.807 -2.346
332 HG2 GLN 48 HG2 GLN 48 4.208 37.539 -4.027
333 HG3 GLN 48 HG3 GLN 48 3.106 38.875 -3.699
334 HE21 GLN 48 HE21 GLN 48 2.491 40.134 -5.333
335 HE22 GLN 48 HE22 GLN 48 3.142 40.081 -6.932
336 H SER 49 H SER 49 5.161 42.075 -0.898
337 HA SER 49 HA SER 49 3.208 40.965 0.728
338 HB2 SER 49 HB2 SER 49 5.057 42.482 1.477
339 HB3 SER 49 HB3 SER 49 4.144 43.842 0.825
340 HG SER 49 HG SER 49 3.887 43.285 3.156
341 H ASN 50 H ASN 50 2.937 43.407 -1.745
342 HA ASN 50 HA ASN 50 0.555 44.640 -1.103
343 HB2 ASN 50 HB2 ASN 50 1.992 45.264 -3.023
344 HB3 ASN 50 HB3 ASN 50 1.455 43.819 -3.874
345 HD21 ASN 50 HD21 ASN 50 0.112 44.364 -5.422
346 HD22 ASN 50 HD22 ASN 50 -1.165 45.523 -5.304
347 H LEU 51 H LEU 51 1.104 41.427 -2.350
348 HA LEU 51 HA LEU 51 -1.645 40.723 -1.784
349 HB2 LEU 51 HB2 LEU 51 -0.540 40.898 -4.533
350 HB3 LEU 51 HB3 LEU 51 -1.586 39.530 -4.157
351 HG LEU 51 HG LEU 51 -2.357 42.433 -3.859
352 HD11 LEU 51 HD11 LEU 51 -2.061 41.845 -6.198
353 HD12 LEU 51 HD12 LEU 51 -3.084 40.423 -5.986
354 HD13 LEU 51 HD13 LEU 51 -3.773 42.038 -5.818
355 HD21 LEU 51 HD21 LEU 51 -3.427 40.174 -2.650
356 HD22 LEU 51 HD22 LEU 51 -4.205 41.746 -2.828
357 HD23 LEU 51 HD23 LEU 51 -4.487 40.483 -4.025
358 H TYR 52 H TYR 52 -1.243 39.091 -0.429
359 HA TYR 52 HA TYR 52 0.621 36.988 -1.319
360 HB2 TYR 52 HB2 TYR 52 1.273 36.593 0.928
361 HB3 TYR 52 HB3 TYR 52 1.319 38.339 0.717
362 HD1 TYR 52 HD1 TYR 52 -0.879 39.605 1.413
363 HD2 TYR 52 HD2 TYR 52 0.186 35.717 2.774
364 HE1 TYR 52 HE1 TYR 52 -2.369 39.881 3.350
365 HE2 TYR 52 HE2 TYR 52 -1.301 35.982 4.714
366 HH TYR 52 HH TYR 52 -3.664 38.193 4.932
367 H GLU 53 H GLU 53 0.121 34.877 0.018
368 HA GLU 53 HA GLU 53 -2.673 34.424 0.553
369 HB2 GLU 53 HB2 GLU 53 -2.727 34.252 -1.861
370 HB3 GLU 53 HB3 GLU 53 -1.354 33.154 -1.850
371 HG2 GLU 53 HG2 GLU 53 -2.769 31.553 -0.538
372 HG3 GLU 53 HG3 GLU 53 -4.135 32.622 -0.848
373 H CYS 54 H CYS 54 -2.736 33.092 2.227
374 HA CYS 54 HA CYS 54 -0.471 31.739 3.212
375 HB2 CYS 54 HB2 CYS 54 -2.373 32.492 4.618
376 HB3 CYS 54 HB3 CYS 54 -3.377 31.244 3.890
377 HG CYS 54 HG CYS 54 -2.762 30.280 6.373
378 HA PRO 55 HA PRO 55 -0.736 28.253 0.410
379 HB2 PRO 55 HB2 PRO 55 1.570 27.092 1.252
380 HB3 PRO 55 HB3 PRO 55 1.536 28.470 0.145
381 HG2 PRO 55 HG2 PRO 55 2.017 28.425 3.099
382 HG3 PRO 55 HG3 PRO 55 2.864 29.346 1.842
383 HD2 PRO 55 HD2 PRO 55 0.964 30.449 3.425
384 HD3 PRO 55 HD3 PRO 55 1.225 30.963 1.746
385 H ASP 56 H ASP 56 -0.855 28.358 3.813
386 HA ASP 56 HA ASP 56 -1.010 25.508 4.229
387 HB2 ASP 56 HB2 ASP 56 -1.872 27.636 6.183
388 HB3 ASP 56 HB3 ASP 56 -1.304 26.005 6.528
389 H CYS 57 H CYS 57 -3.329 28.188 4.659
390 HA CYS 57 HA CYS 57 -5.506 26.246 4.281
391 HB2 CYS 57 HB2 CYS 57 -6.948 27.902 5.408
392 HB3 CYS 57 HB3 CYS 57 -5.594 27.412 6.419
393 HG CYS 57 HG CYS 57 -6.537 30.382 5.898
394 H GLY 58 H GLY 58 -3.867 27.692 2.205
395 HA2 GLY 58 HA2 GLY 58 -4.177 28.914 0.270
396 HA3 GLY 58 HA3 GLY 58 -5.681 28.007 0.207
397 H PHE 59 H PHE 59 -4.698 30.523 2.501
398 HA PHE 59 HA PHE 59 -7.170 31.951 1.917
399 HB2 PHE 59 HB2 PHE 59 -6.732 31.640 4.250
400 HB3 PHE 59 HB3 PHE 59 -5.091 32.256 4.086
401 HD1 PHE 59 HD1 PHE 59 -8.412 33.545 2.976
402 HD2 PHE 59 HD2 PHE 59 -4.878 34.220 5.252
403 HE1 PHE 59 HE1 PHE 59 -9.209 35.803 3.538
404 HE2 PHE 59 HE2 PHE 59 -5.671 36.479 5.818
405 HZ PHE 59 HZ PHE 59 -7.839 37.273 4.962
406 H MET 60 H MET 60 -7.002 33.190 0.140
407 HA MET 60 HA MET 60 -4.571 34.588 -0.518
408 HB2 MET 60 HB2 MET 60 -7.310 34.781 -1.782
409 HB3 MET 60 HB3 MET 60 -5.813 35.410 -2.458
410 HG2 MET 60 HG2 MET 60 -5.085 33.368 -3.119
411 HG3 MET 60 HG3 MET 60 -5.893 32.528 -1.797
412 HE1 MET 60 HE1 MET 60 -5.379 32.189 -4.840
413 HE2 MET 60 HE2 MET 60 -6.613 30.930 -4.882
414 HE3 MET 60 HE3 MET 60 -6.765 32.350 -5.918
415 H GLY 61 H GLY 61 -4.010 36.539 0.185
416 HA2 GLY 61 HA2 GLY 61 -6.140 38.424 0.956
417 HA3 GLY 61 HA3 GLY 61 -4.800 38.115 2.050
418 HA PRO 62 HA PRO 62 -3.844 41.696 -0.849
419 HB2 PRO 62 HB2 PRO 62 -3.579 43.587 1.081
420 HB3 PRO 62 HB3 PRO 62 -5.121 43.225 0.296
421 HG2 PRO 62 HG2 PRO 62 -4.083 42.302 2.948
422 HG3 PRO 62 HG3 PRO 62 -5.706 42.874 2.519
423 HD2 PRO 62 HD2 PRO 62 -5.106 40.246 2.771
424 HD3 PRO 62 HD3 PRO 62 -6.321 40.842 1.622
Start of MODEL 5
1 H1 GLY 1 H GLY 1 -1.800 11.304 -8.433
2 HA2 GLY 1 HA2 GLY 1 0.814 10.631 -9.172
3 HA3 GLY 1 HA3 GLY 1 0.369 12.004 -8.169
4 H ALA 2 H ALA 2 2.520 9.765 -8.153
5 HA ALA 2 HA ALA 2 2.077 8.655 -5.494
6 HB1 ALA 2 HB1 ALA 2 4.571 7.818 -6.263
7 HB2 ALA 2 HB2 ALA 2 3.066 6.937 -6.526
8 HB3 ALA 2 HB3 ALA 2 3.721 7.962 -7.802
9 H MET 3 H MET 3 4.206 10.910 -7.168
10 HA MET 3 HA MET 3 5.844 11.377 -4.846
11 HB2 MET 3 HB2 MET 3 5.734 12.408 -7.636
12 HB3 MET 3 HB3 MET 3 6.518 13.416 -6.427
13 HG2 MET 3 HG2 MET 3 8.070 11.654 -5.898
14 HG3 MET 3 HG3 MET 3 7.235 10.549 -6.986
15 HE1 MET 3 HE1 MET 3 8.625 10.646 -10.036
16 HE2 MET 3 HE2 MET 3 9.952 10.352 -8.912
17 HE3 MET 3 HE3 MET 3 8.327 9.788 -8.524
18 H GLY 4 H GLY 4 6.028 13.420 -3.751
19 HA2 GLY 4 HA2 GLY 4 3.745 15.236 -4.019
20 HA3 GLY 4 HA3 GLY 4 3.987 14.451 -2.465
21 H SER 5 H SER 5 4.256 17.311 -3.687
22 HA SER 5 HA SER 5 6.953 17.886 -2.668
23 HB2 SER 5 HB2 SER 5 6.623 20.108 -3.828
24 HB3 SER 5 HB3 SER 5 6.678 18.709 -4.901
25 HG SER 5 HG SER 5 4.766 19.245 -5.551
26 H GLU 6 H GLU 6 3.566 18.862 -2.418
27 HA GLU 6 HA GLU 6 4.054 20.832 -0.398
28 HB2 GLU 6 HB2 GLU 6 1.621 20.952 -0.211
29 HB3 GLU 6 HB3 GLU 6 2.122 20.994 -1.895
30 HG2 GLU 6 HG2 GLU 6 1.599 18.582 -2.065
31 HG3 GLU 6 HG3 GLU 6 0.986 18.635 -0.413
32 H SER 7 H SER 7 3.034 17.461 -0.433
33 HA SER 7 HA SER 7 2.256 17.193 2.230
34 HB2 SER 7 HB2 SER 7 3.545 15.179 0.375
35 HB3 SER 7 HB3 SER 7 2.829 14.770 1.934
36 HG SER 7 HG SER 7 0.873 15.078 1.138
37 H GLU 8 H GLU 8 5.460 16.823 0.752
38 HA GLU 8 HA GLU 8 6.735 16.213 3.250
39 HB2 GLU 8 HB2 GLU 8 7.879 16.959 0.554
40 HB3 GLU 8 HB3 GLU 8 8.840 16.449 1.935
41 HG2 GLU 8 HG2 GLU 8 7.604 14.299 1.934
42 HG3 GLU 8 HG3 GLU 8 6.790 14.816 0.458
43 H GLN 9 H GLN 9 8.365 17.521 4.271
44 HA GLN 9 HA GLN 9 8.634 20.293 3.616
45 HB2 GLN 9 HB2 GLN 9 7.541 21.264 5.498
46 HB3 GLN 9 HB3 GLN 9 6.381 20.188 4.732
47 HG2 GLN 9 HG2 GLN 9 7.174 18.451 6.451
48 HG3 GLN 9 HG3 GLN 9 7.859 19.832 7.307
49 HE21 GLN 9 HE21 GLN 9 6.282 21.682 7.602
50 HE22 GLN 9 HE22 GLN 9 4.679 21.256 8.084
51 H ARG 10 H ARG 10 10.278 21.320 4.791
52 HA ARG 10 HA ARG 10 12.044 19.464 6.194
53 HB2 ARG 10 HB2 ARG 10 12.442 22.130 4.871
54 HB3 ARG 10 HB3 ARG 10 13.637 21.503 5.998
55 HG2 ARG 10 HG2 ARG 10 14.431 20.845 3.918
56 HG3 ARG 10 HG3 ARG 10 13.628 19.399 4.535
57 HD2 ARG 10 HD2 ARG 10 11.653 19.908 3.212
58 HD3 ARG 10 HD3 ARG 10 12.402 21.397 2.637
59 HE ARG 10 HE ARG 10 13.950 19.050 2.064
60 HH11 ARG 10 HH11 ARG 10 11.331 21.072 0.981
61 HH12 ARG 10 HH12 ARG 10 11.492 20.614 -0.682
62 HH21 ARG 10 HH21 ARG 10 14.172 18.439 -0.122
63 HH22 ARG 10 HH22 ARG 10 13.108 19.115 -1.308
64 H HIS 11 H HIS 11 13.267 20.319 8.087
65 HA HIS 11 HA HIS 11 11.396 21.548 9.946
66 HB2 HIS 11 HB2 HIS 11 14.101 20.265 10.370
67 HB3 HIS 11 HB3 HIS 11 13.102 20.924 11.662
68 HD1 HIS 11 HD1 HIS 11 10.859 19.644 12.179
69 HD2 HIS 11 HD2 HIS 11 13.399 17.742 9.497
70 HE1 HIS 11 HE1 HIS 11 10.026 17.276 12.028
71 H ALA 12 H ALA 12 11.710 23.593 8.595
72 HA ALA 12 HA ALA 12 13.301 25.408 10.099
73 HB1 ALA 12 HB1 ALA 12 15.221 25.253 8.984
74 HB2 ALA 12 HB2 ALA 12 14.497 24.236 7.737
75 HB3 ALA 12 HB3 ALA 12 14.387 25.992 7.617
76 H HIS 13 H HIS 13 12.792 27.569 9.676
77 HA HIS 13 HA HIS 13 10.253 27.977 8.413
78 HB2 HIS 13 HB2 HIS 13 12.122 30.125 9.412
79 HB3 HIS 13 HB3 HIS 13 10.371 30.208 9.246
80 HD1 HIS 13 HD1 HIS 13 12.092 30.663 11.913
81 HD2 HIS 13 HD2 HIS 13 9.891 27.286 10.907
82 HE1 HIS 13 HE1 HIS 13 11.562 29.531 14.096
83 H GLN 14 H GLN 14 10.228 27.847 6.242
84 HA GLN 14 HA GLN 14 12.254 29.355 4.736
85 HB2 GLN 14 HB2 GLN 14 10.733 26.866 4.207
86 HB3 GLN 14 HB3 GLN 14 11.026 27.913 2.825
87 HG2 GLN 14 HG2 GLN 14 13.206 27.418 2.748
88 HG3 GLN 14 HG3 GLN 14 13.376 27.427 4.503
89 HE21 GLN 14 HE21 GLN 14 11.467 25.509 2.205
90 HE22 GLN 14 HE22 GLN 14 12.002 23.971 2.781
91 H CYS 15 H CYS 15 11.415 30.274 2.620
92 HA CYS 15 HA CYS 15 9.338 32.121 3.202
93 HB2 CYS 15 HB2 CYS 15 11.337 32.487 1.668
94 HB3 CYS 15 HB3 CYS 15 10.468 31.541 0.466
95 HG CYS 15 HG CYS 15 10.151 34.185 -0.250
96 H VAL 16 H VAL 16 7.248 32.235 2.484
97 HA VAL 16 HA VAL 16 5.965 29.762 1.844
98 HB VAL 16 HB VAL 16 3.892 30.995 1.872
99 HG11 VAL 16 HG11 VAL 16 5.179 30.513 4.016
100 HG12 VAL 16 HG12 VAL 16 5.589 32.229 4.023
101 HG13 VAL 16 HG13 VAL 16 3.900 31.725 4.106
102 HG21 VAL 16 HG21 VAL 16 4.504 32.938 0.594
103 HG22 VAL 16 HG22 VAL 16 3.893 33.463 2.163
104 HG23 VAL 16 HG23 VAL 16 5.628 33.461 1.848
105 H SER 17 H SER 17 7.104 32.494 0.025
106 HA SER 17 HA SER 17 5.574 31.918 -2.336
107 HB2 SER 17 HB2 SER 17 6.154 34.162 -2.250
108 HB3 SER 17 HB3 SER 17 7.772 33.827 -1.633
109 HG SER 17 HG SER 17 8.451 33.327 -3.640
110 H CYS 18 H CYS 18 9.083 31.820 -1.691
111 HA CYS 18 HA CYS 18 9.311 29.733 -3.752
112 HB2 CYS 18 HB2 CYS 18 10.628 31.721 -4.240
113 HB3 CYS 18 HB3 CYS 18 11.396 31.633 -2.659
114 HG CYS 18 HG CYS 18 12.941 29.461 -3.164
115 H GLY 19 H GLY 19 11.374 30.614 -0.990
116 HA2 GLY 19 HA2 GLY 19 10.946 28.780 0.880
117 HA3 GLY 19 HA3 GLY 19 11.674 27.780 -0.367
118 H ILE 20 H ILE 20 12.494 31.118 0.455
119 HA ILE 20 HA ILE 20 15.249 30.726 0.382
120 HB ILE 20 HB ILE 20 13.714 32.822 1.923
121 HG12 ILE 20 HG12 ILE 20 14.797 34.038 -0.280
122 HG13 ILE 20 HG13 ILE 20 14.388 32.449 -0.917
123 HG21 ILE 20 HG21 ILE 20 16.614 32.715 1.106
124 HG22 ILE 20 HG22 ILE 20 15.805 34.130 1.780
125 HG23 ILE 20 HG23 ILE 20 15.976 32.667 2.749
126 HD11 ILE 20 HD11 ILE 20 12.344 33.902 0.672
127 HD12 ILE 20 HD12 ILE 20 12.676 34.434 -0.977
128 HD13 ILE 20 HD13 ILE 20 12.147 32.779 -0.674
129 H ASN 21 H ASN 21 16.811 30.350 1.921
130 HA ASN 21 HA ASN 21 15.984 28.827 4.211
131 HB2 ASN 21 HB2 ASN 21 18.672 29.641 3.113
132 HB3 ASN 21 HB3 ASN 21 18.511 28.772 4.637
133 HD21 ASN 21 HD21 ASN 21 19.501 28.193 1.768
134 HD22 ASN 21 HD22 ASN 21 18.827 26.637 1.436
135 H ILE 22 H ILE 22 14.796 31.002 4.837
136 HA ILE 22 HA ILE 22 16.558 32.712 6.431
137 HB ILE 22 HB ILE 22 14.556 34.140 6.735
138 HG12 ILE 22 HG12 ILE 22 13.253 32.224 4.788
139 HG13 ILE 22 HG13 ILE 22 12.874 32.329 6.503
140 HG21 ILE 22 HG21 ILE 22 15.114 35.237 4.875
141 HG22 ILE 22 HG22 ILE 22 16.165 33.868 4.513
142 HG23 ILE 22 HG23 ILE 22 14.538 33.932 3.837
143 HD11 ILE 22 HD11 ILE 22 11.787 33.811 4.352
144 HD12 ILE 22 HD12 ILE 22 11.382 33.893 6.067
145 HD13 ILE 22 HD13 ILE 22 12.650 34.928 5.409
146 H ALA 23 H ALA 23 16.011 29.987 7.250
147 HA ALA 23 HA ALA 23 14.121 30.115 9.425
148 HB1 ALA 23 HB1 ALA 23 14.490 28.039 8.151
149 HB2 ALA 23 HB2 ALA 23 16.137 27.969 8.777
150 HB3 ALA 23 HB3 ALA 23 14.768 27.829 9.880
151 H GLY 24 H GLY 24 14.576 31.122 11.267
152 HA2 GLY 24 HA2 GLY 24 15.789 31.175 13.328
153 HA3 GLY 24 HA3 GLY 24 17.244 30.744 12.442
154 H MET 25 H MET 25 16.496 32.777 10.339
155 HA MET 25 HA MET 25 17.746 35.037 11.686
156 HB2 MET 25 HB2 MET 25 18.130 35.925 9.458
157 HB3 MET 25 HB3 MET 25 18.658 34.249 9.532
158 HG2 MET 25 HG2 MET 25 16.886 33.500 8.233
159 HG3 MET 25 HG3 MET 25 15.930 34.950 8.532
160 HE1 MET 25 HE1 MET 25 17.110 37.173 8.218
161 HE2 MET 25 HE2 MET 25 18.321 37.541 6.990
162 HE3 MET 25 HE3 MET 25 16.615 37.470 6.551
163 H SER 26 H SER 26 16.958 37.259 10.713
164 HA SER 26 HA SER 26 14.254 37.572 11.618
165 HB2 SER 26 HB2 SER 26 15.963 39.272 12.107
166 HB3 SER 26 HB3 SER 26 16.142 39.592 10.382
167 HG SER 26 HG SER 26 14.514 40.891 10.547
168 H ALA 27 H ALA 27 12.459 38.212 10.443
169 HA ALA 27 HA ALA 27 12.425 38.903 7.730
170 HB1 ALA 27 HB1 ALA 27 11.223 36.293 7.611
171 HB2 ALA 27 HB2 ALA 27 12.480 36.996 6.593
172 HB3 ALA 27 HB3 ALA 27 12.916 36.173 8.091
173 H ALA 28 H ALA 28 10.107 38.381 6.774
174 HA ALA 28 HA ALA 28 8.245 39.708 8.383
175 HB1 ALA 28 HB1 ALA 28 8.362 39.072 5.761
176 HB2 ALA 28 HB2 ALA 28 7.133 37.935 6.315
177 HB3 ALA 28 HB3 ALA 28 6.912 39.667 6.570
178 H THR 29 H THR 29 7.878 38.812 10.366
179 HA THR 29 HA THR 29 6.903 36.039 10.457
180 HB THR 29 HB THR 29 7.211 37.125 13.079
181 HG1 THR 29 HG1 THR 29 9.524 37.522 12.916
182 HG21 THR 29 HG21 THR 29 9.178 35.362 12.949
183 HG22 THR 29 HG22 THR 29 7.490 34.852 12.957
184 HG23 THR 29 HG23 THR 29 8.380 34.933 11.436
185 H PHE 30 H PHE 30 4.764 35.876 10.365
186 HA PHE 30 HA PHE 30 3.151 37.646 12.056
187 HB2 PHE 30 HB2 PHE 30 1.428 37.698 10.194
188 HB3 PHE 30 HB3 PHE 30 2.883 38.650 9.917
189 HD1 PHE 30 HD1 PHE 30 4.639 37.785 8.382
190 HD2 PHE 30 HD2 PHE 30 0.835 35.914 8.771
191 HE1 PHE 30 HE1 PHE 30 5.004 36.608 6.253
192 HE2 PHE 30 HE2 PHE 30 1.194 34.734 6.643
193 HZ PHE 30 HZ PHE 30 3.281 35.079 5.381
194 H LYS 31 H LYS 31 1.071 36.780 12.627
195 HA LYS 31 HA LYS 31 1.113 33.857 12.737
196 HB2 LYS 31 HB2 LYS 31 0.880 34.932 14.876
197 HB3 LYS 31 HB3 LYS 31 -0.448 35.924 14.290
198 HG2 LYS 31 HG2 LYS 31 -1.789 33.860 13.987
199 HG3 LYS 31 HG3 LYS 31 -0.472 32.946 14.726
200 HD2 LYS 31 HD2 LYS 31 -1.998 35.200 16.031
201 HD3 LYS 31 HD3 LYS 31 -2.239 33.480 16.345
202 HE2 LYS 31 HE2 LYS 31 0.071 33.308 17.140
203 HE3 LYS 31 HE3 LYS 31 0.307 35.027 16.828
204 HZ1 LYS 31 HZ1 LYS 31 -1.301 33.726 18.921
205 HZ2 LYS 31 HZ2 LYS 31 -0.188 34.993 19.058
206 HZ3 LYS 31 HZ3 LYS 31 -1.717 35.279 18.394
207 H CYS 32 H CYS 32 -0.139 32.686 11.451
208 HA CYS 32 HA CYS 32 -1.939 33.838 9.606
209 HB2 CYS 32 HB2 CYS 32 -0.673 31.658 9.343
210 HB3 CYS 32 HB3 CYS 32 -1.860 30.932 10.421
211 HG CYS 32 HG CYS 32 -3.408 30.255 8.500
212 HA PRO 33 HA PRO 33 -5.481 34.227 12.248
213 HB2 PRO 33 HB2 PRO 33 -7.241 34.929 10.304
214 HB3 PRO 33 HB3 PRO 33 -6.039 36.047 10.961
215 HG2 PRO 33 HG2 PRO 33 -5.955 34.448 8.432
216 HG3 PRO 33 HG3 PRO 33 -5.483 36.135 8.705
217 HD2 PRO 33 HD2 PRO 33 -3.678 34.122 8.570
218 HD3 PRO 33 HD3 PRO 33 -3.439 35.552 9.594
219 H ASP 34 H ASP 34 -4.947 31.904 9.861
220 HA ASP 34 HA ASP 34 -7.565 30.653 10.114
221 HB2 ASP 34 HB2 ASP 34 -6.109 30.789 7.958
222 HB3 ASP 34 HB3 ASP 34 -5.235 29.433 8.666
223 H CYS 35 H CYS 35 -4.165 29.756 10.698
224 HA CYS 35 HA CYS 35 -5.125 27.758 12.638
225 HB2 CYS 35 HB2 CYS 35 -2.820 26.719 12.272
226 HB3 CYS 35 HB3 CYS 35 -3.967 26.587 10.944
227 HG CYS 35 HG CYS 35 -1.307 27.074 10.029
228 H GLY 36 H GLY 36 -2.577 30.149 12.008
229 HA2 GLY 36 HA2 GLY 36 -1.961 31.731 13.716
230 HA3 GLY 36 HA3 GLY 36 -2.341 30.510 14.922
231 H GLN 37 H GLN 37 -0.590 29.517 12.124
232 HA GLN 37 HA GLN 37 1.690 28.845 13.768
233 HB2 GLN 37 HB2 GLN 37 1.190 28.399 10.820
234 HB3 GLN 37 HB3 GLN 37 2.539 27.737 11.734
235 HG2 GLN 37 HG2 GLN 37 -0.344 27.164 12.365
236 HG3 GLN 37 HG3 GLN 37 0.655 26.155 11.321
237 HE21 GLN 37 HE21 GLN 37 -0.387 26.676 14.437
238 HE22 GLN 37 HE22 GLN 37 0.769 25.703 15.275
239 H GLU 38 H GLU 38 3.775 29.620 13.544
240 HA GLU 38 HA GLU 38 4.037 32.331 12.769
241 HB2 GLU 38 HB2 GLU 38 5.664 30.318 14.068
242 HB3 GLU 38 HB3 GLU 38 6.618 31.265 12.936
243 HG2 GLU 38 HG2 GLU 38 6.858 32.633 14.694
244 HG3 GLU 38 HG3 GLU 38 5.285 33.238 14.178
245 H ILE 39 H ILE 39 4.079 33.028 10.743
246 HA ILE 39 HA ILE 39 5.264 31.324 8.666
247 HB ILE 39 HB ILE 39 3.588 33.793 8.236
248 HG12 ILE 39 HG12 ILE 39 2.695 30.902 8.282
249 HG13 ILE 39 HG13 ILE 39 2.317 32.103 9.512
250 HG21 ILE 39 HG21 ILE 39 5.073 32.957 6.392
251 HG22 ILE 39 HG22 ILE 39 4.108 31.481 6.381
252 HG23 ILE 39 HG23 ILE 39 3.356 33.029 5.997
253 HD11 ILE 39 HD11 ILE 39 0.897 33.281 8.085
254 HD12 ILE 39 HD12 ILE 39 1.544 32.493 6.646
255 HD13 ILE 39 HD13 ILE 39 0.537 31.583 7.772
256 H SER 40 H SER 40 7.200 31.806 7.885
257 HA SER 40 HA SER 40 8.255 34.519 8.325
258 HB2 SER 40 HB2 SER 40 10.454 33.587 8.379
259 HB3 SER 40 HB3 SER 40 9.450 32.554 9.397
260 HG SER 40 HG SER 40 10.772 31.970 7.076
261 H ARG 41 H ARG 41 8.142 35.743 6.569
262 HA ARG 41 HA ARG 41 8.637 34.489 3.948
263 HB2 ARG 41 HB2 ARG 41 6.974 36.930 4.595
264 HB3 ARG 41 HB3 ARG 41 7.281 36.313 2.977
265 HG2 ARG 41 HG2 ARG 41 6.211 34.150 3.758
266 HG3 ARG 41 HG3 ARG 41 5.668 35.056 5.172
267 HD2 ARG 41 HD2 ARG 41 5.036 35.666 2.287
268 HD3 ARG 41 HD3 ARG 41 3.925 35.015 3.492
269 HE ARG 41 HE ARG 41 4.902 37.419 4.484
270 HH11 ARG 41 HH11 ARG 41 2.987 36.299 1.801
271 HH12 ARG 41 HH12 ARG 41 2.073 37.765 1.673
272 HH21 ARG 41 HH21 ARG 41 3.704 39.354 4.326
273 HH22 ARG 41 HH22 ARG 41 2.482 39.502 3.109
274 H CYS 42 H CYS 42 10.444 35.082 2.958
275 HA CYS 42 HA CYS 42 12.231 36.976 4.022
276 HB2 CYS 42 HB2 CYS 42 12.601 34.949 2.380
277 HB3 CYS 42 HB3 CYS 42 12.370 36.177 1.142
278 HG CYS 42 HG CYS 42 14.729 37.199 1.255
279 H SER 43 H SER 43 13.120 38.853 2.789
280 HA SER 43 HA SER 43 11.255 40.852 2.468
281 HB2 SER 43 HB2 SER 43 13.866 40.801 0.954
282 HB3 SER 43 HB3 SER 43 13.000 42.205 1.576
283 HG SER 43 HG SER 43 14.061 41.957 3.359
284 H LYS 44 H LYS 44 12.456 38.568 0.095
285 HA LYS 44 HA LYS 44 11.618 39.737 -2.265
286 HB2 LYS 44 HB2 LYS 44 11.557 36.808 -1.516
287 HB3 LYS 44 HB3 LYS 44 11.441 37.432 -3.156
288 HG2 LYS 44 HG2 LYS 44 13.791 37.978 -1.366
289 HG3 LYS 44 HG3 LYS 44 13.702 36.586 -2.447
290 HD2 LYS 44 HD2 LYS 44 13.923 37.859 -4.327
291 HD3 LYS 44 HD3 LYS 44 13.134 39.261 -3.602
292 HE2 LYS 44 HE2 LYS 44 15.102 39.805 -2.355
293 HE3 LYS 44 HE3 LYS 44 15.881 38.295 -2.826
294 HZ1 LYS 44 HZ1 LYS 44 16.614 40.318 -4.074
295 HZ2 LYS 44 HZ2 LYS 44 16.080 39.040 -5.045
296 HZ3 LYS 44 HZ3 LYS 44 15.076 40.376 -4.778
297 H CYS 45 H CYS 45 9.732 38.242 0.245
298 HA CYS 45 HA CYS 45 7.388 37.607 -1.065
299 HB2 CYS 45 HB2 CYS 45 6.320 37.663 1.029
300 HB3 CYS 45 HB3 CYS 45 8.001 37.307 1.411
301 HG CYS 45 HG CYS 45 7.542 39.003 3.384
302 H ARG 46 H ARG 46 8.725 40.724 -0.381
303 HA ARG 46 HA ARG 46 6.551 42.396 -0.370
304 HB2 ARG 46 HB2 ARG 46 9.290 42.727 -1.572
305 HB3 ARG 46 HB3 ARG 46 8.101 44.022 -1.625
306 HG2 ARG 46 HG2 ARG 46 7.989 44.048 0.801
307 HG3 ARG 46 HG3 ARG 46 9.137 42.709 0.879
308 HD2 ARG 46 HD2 ARG 46 9.799 45.292 -0.501
309 HD3 ARG 46 HD3 ARG 46 10.043 45.075 1.231
310 HE ARG 46 HE ARG 46 11.316 42.944 0.163
311 HH11 ARG 46 HH11 ARG 46 11.463 46.368 -0.453
312 HH12 ARG 46 HH12 ARG 46 13.127 46.342 -0.936
313 HH21 ARG 46 HH21 ARG 46 13.507 42.897 -0.470
314 HH22 ARG 46 HH22 ARG 46 14.288 44.367 -0.946
315 H LYS 47 H LYS 47 8.003 40.741 -3.105
316 HA LYS 47 HA LYS 47 6.347 42.102 -5.041
317 HB2 LYS 47 HB2 LYS 47 8.365 39.880 -5.188
318 HB3 LYS 47 HB3 LYS 47 7.341 40.261 -6.566
319 HG2 LYS 47 HG2 LYS 47 8.219 42.507 -6.649
320 HG3 LYS 47 HG3 LYS 47 9.171 42.218 -5.191
321 HD2 LYS 47 HD2 LYS 47 10.724 41.918 -6.894
322 HD3 LYS 47 HD3 LYS 47 10.207 40.268 -6.539
323 HE2 LYS 47 HE2 LYS 47 10.262 40.545 -8.917
324 HE3 LYS 47 HE3 LYS 47 8.577 40.445 -8.411
325 HZ1 LYS 47 HZ1 LYS 47 8.226 42.369 -9.418
326 HZ2 LYS 47 HZ2 LYS 47 9.303 43.131 -8.359
327 HZ3 LYS 47 HZ3 LYS 47 9.862 42.506 -9.828
328 H GLN 48 H GLN 48 6.361 39.044 -3.325
329 HA GLN 48 HA GLN 48 4.180 37.952 -4.865
330 HB2 GLN 48 HB2 GLN 48 5.817 37.039 -2.539
331 HB3 GLN 48 HB3 GLN 48 4.267 36.264 -2.838
332 HG2 GLN 48 HG2 GLN 48 5.620 34.890 -4.035
333 HG3 GLN 48 HG3 GLN 48 5.220 36.068 -5.283
334 HE21 GLN 48 HE21 GLN 48 7.266 35.015 -6.112
335 HE22 GLN 48 HE22 GLN 48 8.753 35.787 -5.694
336 H SER 49 H SER 49 4.297 40.347 -2.669
337 HA SER 49 HA SER 49 2.374 39.820 -0.748
338 HB2 SER 49 HB2 SER 49 1.973 42.298 -0.750
339 HB3 SER 49 HB3 SER 49 3.675 41.849 -0.647
340 HG SER 49 HG SER 49 3.696 43.318 -2.218
341 H ASN 50 H ASN 50 1.989 40.626 -4.133
342 HA ASN 50 HA ASN 50 -0.665 41.380 -4.235
343 HB2 ASN 50 HB2 ASN 50 0.519 41.540 -6.253
344 HB3 ASN 50 HB3 ASN 50 1.083 39.874 -6.162
345 HD21 ASN 50 HD21 ASN 50 0.305 38.975 -7.951
346 HD22 ASN 50 HD22 ASN 50 -1.359 38.957 -8.416
347 H LEU 51 H LEU 51 0.716 38.173 -3.890
348 HA LEU 51 HA LEU 51 -1.830 37.147 -2.996
349 HB2 LEU 51 HB2 LEU 51 -1.732 36.939 -5.545
350 HB3 LEU 51 HB3 LEU 51 -0.494 35.715 -5.272
351 HG LEU 51 HG LEU 51 -2.301 34.589 -3.781
352 HD11 LEU 51 HD11 LEU 51 -4.319 35.678 -5.605
353 HD12 LEU 51 HD12 LEU 51 -4.429 35.282 -3.890
354 HD13 LEU 51 HD13 LEU 51 -3.728 36.819 -4.397
355 HD21 LEU 51 HD21 LEU 51 -3.387 33.867 -6.165
356 HD22 LEU 51 HD22 LEU 51 -1.852 34.567 -6.681
357 HD23 LEU 51 HD23 LEU 51 -1.870 33.238 -5.522
358 H TYR 52 H TYR 52 -1.460 35.858 -1.322
359 HA TYR 52 HA TYR 52 1.068 34.354 -1.226
360 HB2 TYR 52 HB2 TYR 52 1.438 34.917 1.032
361 HB3 TYR 52 HB3 TYR 52 0.984 36.435 0.266
362 HD1 TYR 52 HD1 TYR 52 -1.579 37.019 0.383
363 HD2 TYR 52 HD2 TYR 52 0.388 34.300 3.000
364 HE1 TYR 52 HE1 TYR 52 -3.373 37.322 2.038
365 HE2 TYR 52 HE2 TYR 52 -1.402 34.595 4.661
366 HH TYR 52 HH TYR 52 -4.333 36.289 3.923
367 H GLU 53 H GLU 53 0.949 32.638 0.577
368 HA GLU 53 HA GLU 53 -1.674 31.592 1.148
369 HB2 GLU 53 HB2 GLU 53 -1.517 30.716 -1.062
370 HB3 GLU 53 HB3 GLU 53 0.152 30.220 -0.820
371 HG2 GLU 53 HG2 GLU 53 -1.881 29.041 0.976
372 HG3 GLU 53 HG3 GLU 53 -1.887 28.522 -0.708
373 H CYS 54 H CYS 54 -1.650 30.443 2.989
374 HA CYS 54 HA CYS 54 0.801 30.201 4.443
375 HB2 CYS 54 HB2 CYS 54 -1.367 30.738 5.525
376 HB3 CYS 54 HB3 CYS 54 -1.940 29.122 5.131
377 HG CYS 54 HG CYS 54 -1.365 29.033 7.805
378 HA PRO 55 HA PRO 55 1.736 26.183 2.701
379 HB2 PRO 55 HB2 PRO 55 4.142 25.937 3.934
380 HB3 PRO 55 HB3 PRO 55 3.898 26.932 2.493
381 HG2 PRO 55 HG2 PRO 55 4.026 27.760 5.367
382 HG3 PRO 55 HG3 PRO 55 4.760 28.529 3.947
383 HD2 PRO 55 HD2 PRO 55 2.474 29.439 5.079
384 HD3 PRO 55 HD3 PRO 55 2.794 29.567 3.337
385 H ASP 56 H ASP 56 1.219 27.103 5.945
386 HA ASP 56 HA ASP 56 1.717 24.513 7.108
387 HB2 ASP 56 HB2 ASP 56 0.146 26.754 8.372
388 HB3 ASP 56 HB3 ASP 56 1.051 25.472 9.172
389 H CYS 57 H CYS 57 -1.218 26.495 6.666
390 HA CYS 57 HA CYS 57 -2.801 24.019 6.764
391 HB2 CYS 57 HB2 CYS 57 -4.725 25.483 7.284
392 HB3 CYS 57 HB3 CYS 57 -3.431 25.639 8.465
393 HG CYS 57 HG CYS 57 -4.959 28.015 7.009
394 H GLY 58 H GLY 58 -1.322 25.248 4.437
395 HA2 GLY 58 HA2 GLY 58 -1.687 25.785 2.220
396 HA3 GLY 58 HA3 GLY 58 -2.892 24.512 2.347
397 H PHE 59 H PHE 59 -2.889 27.703 3.884
398 HA PHE 59 HA PHE 59 -5.546 28.182 2.796
399 HB2 PHE 59 HB2 PHE 59 -5.315 28.638 5.138
400 HB3 PHE 59 HB3 PHE 59 -3.889 29.634 4.862
401 HD1 PHE 59 HD1 PHE 59 -7.262 29.573 3.271
402 HD2 PHE 59 HD2 PHE 59 -4.362 31.802 5.449
403 HE1 PHE 59 HE1 PHE 59 -8.691 31.570 3.124
404 HE2 PHE 59 HE2 PHE 59 -5.788 33.802 5.307
405 HZ PHE 59 HZ PHE 59 -7.955 33.688 4.142
406 H MET 60 H MET 60 -5.546 28.947 0.772
407 HA MET 60 HA MET 60 -3.476 30.736 -0.162
408 HB2 MET 60 HB2 MET 60 -5.979 29.792 -1.569
409 HB3 MET 60 HB3 MET 60 -4.610 30.602 -2.317
410 HG2 MET 60 HG2 MET 60 -3.250 28.747 -2.155
411 HG3 MET 60 HG3 MET 60 -4.197 28.041 -0.847
412 HE1 MET 60 HE1 MET 60 -6.888 26.109 -2.275
413 HE2 MET 60 HE2 MET 60 -5.292 25.475 -1.872
414 HE3 MET 60 HE3 MET 60 -5.997 26.771 -0.905
415 H GLY 61 H GLY 61 -3.566 32.890 -0.165
416 HA2 GLY 61 HA2 GLY 61 -6.194 34.202 -0.058
417 HA3 GLY 61 HA3 GLY 61 -4.994 34.598 1.163
418 HA PRO 62 HA PRO 62 -4.591 37.387 -2.609
419 HB2 PRO 62 HB2 PRO 62 -5.143 39.718 -1.330
420 HB3 PRO 62 HB3 PRO 62 -6.391 38.713 -2.078
421 HG2 PRO 62 HG2 PRO 62 -5.575 38.894 0.797
422 HG3 PRO 62 HG3 PRO 62 -7.203 38.816 0.099
423 HD2 PRO 62 HD2 PRO 62 -5.975 36.657 1.178
424 HD3 PRO 62 HD3 PRO 62 -7.109 36.530 -0.182
Start of MODEL 6
1 H1 GLY 1 H GLY 1 13.788 3.576 -6.422
2 HA2 GLY 1 HA2 GLY 1 11.969 2.134 -7.141
3 HA3 GLY 1 HA3 GLY 1 12.448 1.642 -5.524
4 H ALA 2 H ALA 2 10.150 3.628 -7.328
5 HA ALA 2 HA ALA 2 8.023 4.305 -6.871
6 HB1 ALA 2 HB1 ALA 2 6.564 2.693 -6.008
7 HB2 ALA 2 HB2 ALA 2 7.869 1.756 -6.734
8 HB3 ALA 2 HB3 ALA 2 7.812 1.980 -4.986
9 H MET 3 H MET 3 9.893 5.683 -5.421
10 HA MET 3 HA MET 3 9.205 5.719 -2.628
11 HB2 MET 3 HB2 MET 3 10.763 7.798 -4.165
12 HB3 MET 3 HB3 MET 3 10.790 7.510 -2.430
13 HG2 MET 3 HG2 MET 3 11.681 5.190 -3.009
14 HG3 MET 3 HG3 MET 3 11.965 5.841 -4.622
15 HE1 MET 3 HE1 MET 3 15.326 6.094 -4.273
16 HE2 MET 3 HE2 MET 3 13.863 6.136 -5.257
17 HE3 MET 3 HE3 MET 3 14.693 7.637 -4.849
18 H GLY 4 H GLY 4 7.939 7.176 -1.542
19 HA2 GLY 4 HA2 GLY 4 6.143 8.775 -3.228
20 HA3 GLY 4 HA3 GLY 4 5.815 8.256 -1.582
21 H SER 5 H SER 5 8.373 10.120 -3.230
22 HA SER 5 HA SER 5 9.038 11.727 -1.057
23 HB2 SER 5 HB2 SER 5 9.165 12.654 -3.927
24 HB3 SER 5 HB3 SER 5 10.225 13.105 -2.593
25 HG SER 5 HG SER 5 10.897 11.394 -4.229
26 H GLU 6 H GLU 6 6.582 12.172 -3.549
27 HA GLU 6 HA GLU 6 5.852 14.808 -2.820
28 HB2 GLU 6 HB2 GLU 6 3.854 14.431 -4.171
29 HB3 GLU 6 HB3 GLU 6 5.285 13.834 -5.000
30 HG2 GLU 6 HG2 GLU 6 4.668 11.551 -4.026
31 HG3 GLU 6 HG3 GLU 6 3.097 12.273 -3.681
32 H SER 7 H SER 7 4.782 11.628 -1.767
33 HA SER 7 HA SER 7 2.494 12.388 -0.346
34 HB2 SER 7 HB2 SER 7 3.001 10.048 -0.840
35 HB3 SER 7 HB3 SER 7 4.415 10.114 0.212
36 HG SER 7 HG SER 7 1.687 10.132 0.887
37 H GLU 8 H GLU 8 5.858 12.041 0.748
38 HA GLU 8 HA GLU 8 5.170 13.167 3.343
39 HB2 GLU 8 HB2 GLU 8 7.448 12.637 3.983
40 HB3 GLU 8 HB3 GLU 8 6.708 11.241 3.212
41 HG2 GLU 8 HG2 GLU 8 7.926 11.593 1.208
42 HG3 GLU 8 HG3 GLU 8 8.487 13.172 1.754
43 H GLN 9 H GLN 9 6.502 14.930 4.242
44 HA GLN 9 HA GLN 9 8.055 16.640 2.642
45 HB2 GLN 9 HB2 GLN 9 6.384 18.559 2.565
46 HB3 GLN 9 HB3 GLN 9 6.129 17.249 1.420
47 HG2 GLN 9 HG2 GLN 9 4.352 16.351 2.735
48 HG3 GLN 9 HG3 GLN 9 4.690 17.475 4.049
49 HE21 GLN 9 HE21 GLN 9 2.230 17.591 3.438
50 HE22 GLN 9 HE22 GLN 9 1.820 18.909 2.399
51 H ARG 10 H ARG 10 9.084 18.149 3.872
52 HA ARG 10 HA ARG 10 8.779 17.948 6.713
53 HB2 ARG 10 HB2 ARG 10 10.633 19.357 4.850
54 HB3 ARG 10 HB3 ARG 10 10.527 19.938 6.506
55 HG2 ARG 10 HG2 ARG 10 12.269 18.443 6.629
56 HG3 ARG 10 HG3 ARG 10 10.900 17.449 7.133
57 HD2 ARG 10 HD2 ARG 10 12.013 16.095 5.604
58 HD3 ARG 10 HD3 ARG 10 10.722 16.816 4.644
59 HE ARG 10 HE ARG 10 12.305 17.893 3.390
60 HH11 ARG 10 HH11 ARG 10 13.772 16.731 6.326
61 HH12 ARG 10 HH12 ARG 10 15.384 17.130 5.833
62 HH21 ARG 10 HH21 ARG 10 14.423 18.423 2.730
63 HH22 ARG 10 HH22 ARG 10 15.753 18.093 3.787
64 H HIS 11 H HIS 11 8.969 20.184 7.943
65 HA HIS 11 HA HIS 11 6.972 22.049 6.863
66 HB2 HIS 11 HB2 HIS 11 6.945 20.653 9.520
67 HB3 HIS 11 HB3 HIS 11 6.189 22.233 9.340
68 HD1 HIS 11 HD1 HIS 11 3.764 21.993 9.002
69 HD2 HIS 11 HD2 HIS 11 5.874 18.903 7.196
70 HE1 HIS 11 HE1 HIS 11 2.026 20.541 7.910
71 H ALA 12 H ALA 12 9.790 22.330 6.853
72 HA ALA 12 HA ALA 12 10.675 23.916 9.047
73 HB1 ALA 12 HB1 ALA 12 11.774 22.946 6.537
74 HB2 ALA 12 HB2 ALA 12 12.311 24.579 6.930
75 HB3 ALA 12 HB3 ALA 12 12.574 23.265 8.076
76 H HIS 13 H HIS 13 11.242 26.181 8.966
77 HA HIS 13 HA HIS 13 9.125 27.790 7.958
78 HB2 HIS 13 HB2 HIS 13 11.640 28.272 9.481
79 HB3 HIS 13 HB3 HIS 13 10.895 29.649 8.673
80 HD1 HIS 13 HD1 HIS 13 9.039 30.771 9.893
81 HD2 HIS 13 HD2 HIS 13 9.815 26.967 11.373
82 HE1 HIS 13 HE1 HIS 13 7.589 30.535 11.934
83 H GLN 14 H GLN 14 8.933 28.028 5.811
84 HA GLN 14 HA GLN 14 11.294 28.994 4.338
85 HB2 GLN 14 HB2 GLN 14 9.351 26.853 3.665
86 HB3 GLN 14 HB3 GLN 14 9.861 27.901 2.348
87 HG2 GLN 14 HG2 GLN 14 11.960 27.077 2.317
88 HG3 GLN 14 HG3 GLN 14 12.004 26.823 4.061
89 HE21 GLN 14 HE21 GLN 14 11.322 25.448 0.990
90 HE22 GLN 14 HE22 GLN 14 10.978 23.846 1.536
91 H CYS 15 H CYS 15 10.646 30.163 2.281
92 HA CYS 15 HA CYS 15 8.939 32.321 2.965
93 HB2 CYS 15 HB2 CYS 15 10.957 32.401 1.425
94 HB3 CYS 15 HB3 CYS 15 9.939 31.661 0.195
95 HG CYS 15 HG CYS 15 8.925 34.544 1.683
96 H VAL 16 H VAL 16 6.896 32.838 2.307
97 HA VAL 16 HA VAL 16 5.174 30.681 1.580
98 HB VAL 16 HB VAL 16 3.368 32.284 1.670
99 HG11 VAL 16 HG11 VAL 16 5.407 32.794 3.835
100 HG12 VAL 16 HG12 VAL 16 3.684 33.155 3.946
101 HG13 VAL 16 HG13 VAL 16 4.227 31.484 3.797
102 HG21 VAL 16 HG21 VAL 16 5.564 34.346 1.671
103 HG22 VAL 16 HG22 VAL 16 4.264 34.147 0.496
104 HG23 VAL 16 HG23 VAL 16 3.898 34.701 2.130
105 H SER 17 H SER 17 6.799 33.211 -0.156
106 HA SER 17 HA SER 17 5.170 33.022 -2.515
107 HB2 SER 17 HB2 SER 17 6.161 35.117 -2.345
108 HB3 SER 17 HB3 SER 17 7.696 34.458 -1.781
109 HG SER 17 HG SER 17 8.252 34.742 -3.794
110 H CYS 18 H CYS 18 8.604 32.251 -1.919
111 HA CYS 18 HA CYS 18 8.419 30.221 -4.041
112 HB2 CYS 18 HB2 CYS 18 10.054 31.950 -4.532
113 HB3 CYS 18 HB3 CYS 18 10.825 31.707 -2.969
114 HG CYS 18 HG CYS 18 11.911 29.265 -3.535
115 H GLY 19 H GLY 19 10.685 30.648 -1.334
116 HA2 GLY 19 HA2 GLY 19 9.957 28.855 0.502
117 HA3 GLY 19 HA3 GLY 19 10.518 27.795 -0.782
118 H ILE 20 H ILE 20 11.857 30.938 0.110
119 HA ILE 20 HA ILE 20 14.515 30.098 0.027
120 HB ILE 20 HB ILE 20 13.347 32.410 1.581
121 HG12 ILE 20 HG12 ILE 20 14.601 33.448 -0.620
122 HG13 ILE 20 HG13 ILE 20 13.941 31.948 -1.264
123 HG21 ILE 20 HG21 ILE 20 15.668 33.348 1.319
124 HG22 ILE 20 HG22 ILE 20 15.520 31.991 2.435
125 HG23 ILE 20 HG23 ILE 20 16.178 31.736 0.819
126 HD11 ILE 20 HD11 ILE 20 12.121 33.621 0.351
127 HD12 ILE 20 HD12 ILE 20 12.587 34.234 -1.235
128 HD13 ILE 20 HD13 ILE 20 11.805 32.660 -1.093
129 H ASN 21 H ASN 21 15.996 29.483 1.574
130 HA ASN 21 HA ASN 21 14.931 28.089 3.845
131 HB2 ASN 21 HB2 ASN 21 17.633 28.406 2.607
132 HB3 ASN 21 HB3 ASN 21 17.528 27.823 4.266
133 HD21 ASN 21 HD21 ASN 21 17.607 25.713 4.392
134 HD22 ASN 21 HD22 ASN 21 16.943 24.592 3.256
135 H ILE 22 H ILE 22 14.068 30.383 4.514
136 HA ILE 22 HA ILE 22 16.058 31.811 6.120
137 HB ILE 22 HB ILE 22 14.232 33.487 6.457
138 HG12 ILE 22 HG12 ILE 22 12.786 31.965 4.287
139 HG13 ILE 22 HG13 ILE 22 12.393 31.801 5.995
140 HG21 ILE 22 HG21 ILE 22 14.299 33.474 3.575
141 HG22 ILE 22 HG22 ILE 22 15.100 34.558 4.713
142 HG23 ILE 22 HG23 ILE 22 15.872 33.042 4.248
143 HD11 ILE 22 HD11 ILE 22 12.479 34.565 5.061
144 HD12 ILE 22 HD12 ILE 22 11.250 33.571 4.279
145 HD13 ILE 22 HD13 ILE 22 11.271 33.727 6.035
146 H ALA 23 H ALA 23 15.215 29.211 6.958
147 HA ALA 23 HA ALA 23 13.227 29.377 8.981
148 HB1 ALA 23 HB1 ALA 23 14.022 27.280 7.825
149 HB2 ALA 23 HB2 ALA 23 15.450 27.354 8.857
150 HB3 ALA 23 HB3 ALA 23 13.850 27.173 9.577
151 H GLY 24 H GLY 24 13.396 30.522 10.791
152 HA2 GLY 24 HA2 GLY 24 14.243 31.340 12.766
153 HA3 GLY 24 HA3 GLY 24 15.536 30.159 12.619
154 H MET 25 H MET 25 15.135 32.276 9.957
155 HA MET 25 HA MET 25 17.522 33.767 10.816
156 HB2 MET 25 HB2 MET 25 16.501 33.281 8.012
157 HB3 MET 25 HB3 MET 25 17.983 34.126 8.439
158 HG2 MET 25 HG2 MET 25 18.667 31.948 9.594
159 HG3 MET 25 HG3 MET 25 17.351 31.211 8.683
160 HE1 MET 25 HE1 MET 25 19.573 29.584 6.779
161 HE2 MET 25 HE2 MET 25 20.957 30.359 7.551
162 HE3 MET 25 HE3 MET 25 19.556 29.892 8.516
163 H SER 26 H SER 26 17.546 35.891 9.199
164 HA SER 26 HA SER 26 15.485 37.548 10.309
165 HB2 SER 26 HB2 SER 26 17.497 38.345 8.201
166 HB3 SER 26 HB3 SER 26 16.670 39.390 9.356
167 HG SER 26 HG SER 26 18.917 38.759 9.853
168 H ALA 27 H ALA 27 13.562 37.949 9.458
169 HA ALA 27 HA ALA 27 13.073 38.539 6.763
170 HB1 ALA 27 HB1 ALA 27 11.634 36.458 6.297
171 HB2 ALA 27 HB2 ALA 27 13.384 36.323 6.118
172 HB3 ALA 27 HB3 ALA 27 12.594 35.690 7.562
173 H ALA 28 H ALA 28 10.730 38.734 6.285
174 HA ALA 28 HA ALA 28 9.364 40.094 8.276
175 HB1 ALA 28 HB1 ALA 28 8.979 39.708 5.619
176 HB2 ALA 28 HB2 ALA 28 7.643 38.777 6.296
177 HB3 ALA 28 HB3 ALA 28 7.818 40.486 6.694
178 H THR 29 H THR 29 8.913 39.197 10.199
179 HA THR 29 HA THR 29 7.627 36.550 10.243
180 HB THR 29 HB THR 29 8.390 37.558 12.854
181 HG1 THR 29 HG1 THR 29 10.079 38.590 11.783
182 HG21 THR 29 HG21 THR 29 7.880 35.220 12.377
183 HG22 THR 29 HG22 THR 29 9.235 35.140 11.252
184 HG23 THR 29 HG23 THR 29 9.531 35.384 12.974
185 H PHE 30 H PHE 30 5.492 36.616 10.419
186 HA PHE 30 HA PHE 30 4.286 38.479 12.329
187 HB2 PHE 30 HB2 PHE 30 2.474 39.008 10.728
188 HB3 PHE 30 HB3 PHE 30 4.045 39.571 10.167
189 HD1 PHE 30 HD1 PHE 30 5.283 38.150 8.466
190 HD2 PHE 30 HD2 PHE 30 1.169 37.600 9.410
191 HE1 PHE 30 HE1 PHE 30 4.963 36.937 6.349
192 HE2 PHE 30 HE2 PHE 30 0.843 36.385 7.295
193 HZ PHE 30 HZ PHE 30 2.741 36.052 5.762
194 H LYS 31 H LYS 31 1.874 37.917 12.600
195 HA LYS 31 HA LYS 31 1.647 34.984 12.726
196 HB2 LYS 31 HB2 LYS 31 1.659 35.900 14.932
197 HB3 LYS 31 HB3 LYS 31 0.501 37.148 14.490
198 HG2 LYS 31 HG2 LYS 31 -1.212 35.414 14.163
199 HG3 LYS 31 HG3 LYS 31 -0.046 34.192 14.676
200 HD2 LYS 31 HD2 LYS 31 -0.966 36.529 16.350
201 HD3 LYS 31 HD3 LYS 31 -1.571 34.876 16.493
202 HE2 LYS 31 HE2 LYS 31 0.958 34.288 16.779
203 HE3 LYS 31 HE3 LYS 31 1.107 35.991 17.210
204 HZ1 LYS 31 HZ1 LYS 31 0.717 35.016 19.235
205 HZ2 LYS 31 HZ2 LYS 31 -0.857 35.443 18.784
206 HZ3 LYS 31 HZ3 LYS 31 -0.331 33.844 18.611
207 H CYS 32 H CYS 32 0.146 34.043 11.515
208 HA CYS 32 HA CYS 32 -1.553 35.512 9.803
209 HB2 CYS 32 HB2 CYS 32 -0.650 33.177 9.413
210 HB3 CYS 32 HB3 CYS 32 -1.870 32.602 10.543
211 HG CYS 32 HG CYS 32 -3.502 32.141 8.616
212 HA PRO 33 HA PRO 33 -4.839 36.342 12.671
213 HB2 PRO 33 HB2 PRO 33 -6.557 37.410 10.860
214 HB3 PRO 33 HB3 PRO 33 -5.159 38.288 11.492
215 HG2 PRO 33 HG2 PRO 33 -5.461 36.822 8.900
216 HG3 PRO 33 HG3 PRO 33 -4.710 38.398 9.213
217 HD2 PRO 33 HD2 PRO 33 -3.263 36.131 8.894
218 HD3 PRO 33 HD3 PRO 33 -2.745 37.453 9.960
219 H ASP 34 H ASP 34 -4.808 34.083 10.166
220 HA ASP 34 HA ASP 34 -7.578 33.258 10.505
221 HB2 ASP 34 HB2 ASP 34 -6.224 33.247 8.287
222 HB3 ASP 34 HB3 ASP 34 -5.530 31.750 8.906
223 H CYS 35 H CYS 35 -4.356 31.778 10.878
224 HA CYS 35 HA CYS 35 -5.550 29.889 12.797
225 HB2 CYS 35 HB2 CYS 35 -3.470 28.503 12.288
226 HB3 CYS 35 HB3 CYS 35 -4.667 28.625 11.004
227 HG CYS 35 HG CYS 35 -2.388 28.783 9.598
228 H GLY 36 H GLY 36 -2.679 31.869 12.136
229 HA2 GLY 36 HA2 GLY 36 -1.754 33.256 13.879
230 HA3 GLY 36 HA3 GLY 36 -2.260 32.045 15.048
231 H GLN 37 H GLN 37 -0.823 30.928 12.126
232 HA GLN 37 HA GLN 37 1.407 29.848 13.614
233 HB2 GLN 37 HB2 GLN 37 0.706 29.617 10.682
234 HB3 GLN 37 HB3 GLN 37 1.972 28.712 11.501
235 HG2 GLN 37 HG2 GLN 37 -0.763 28.531 12.616
236 HG3 GLN 37 HG3 GLN 37 -0.455 27.727 11.078
237 HE21 GLN 37 HE21 GLN 37 1.978 26.719 11.275
238 HE22 GLN 37 HE22 GLN 37 2.106 25.608 12.592
239 H GLU 38 H GLU 38 3.487 30.499 13.545
240 HA GLU 38 HA GLU 38 4.122 33.107 12.729
241 HB2 GLU 38 HB2 GLU 38 5.312 31.772 14.490
242 HB3 GLU 38 HB3 GLU 38 6.076 30.852 13.201
243 HG2 GLU 38 HG2 GLU 38 7.038 32.971 12.337
244 HG3 GLU 38 HG3 GLU 38 6.379 33.794 13.750
245 H ILE 39 H ILE 39 4.237 33.816 10.710
246 HA ILE 39 HA ILE 39 5.153 31.994 8.599
247 HB ILE 39 HB ILE 39 3.904 34.698 8.167
248 HG12 ILE 39 HG12 ILE 39 2.517 32.023 8.442
249 HG13 ILE 39 HG13 ILE 39 2.351 33.399 9.526
250 HG21 ILE 39 HG21 ILE 39 3.846 32.282 6.382
251 HG22 ILE 39 HG22 ILE 39 3.498 33.960 5.967
252 HG23 ILE 39 HG23 ILE 39 5.152 33.467 6.332
253 HD11 ILE 39 HD11 ILE 39 0.681 34.162 8.304
254 HD12 ILE 39 HD12 ILE 39 1.739 34.264 6.896
255 HD13 ILE 39 HD13 ILE 39 0.845 32.779 7.221
256 H SER 40 H SER 40 7.019 32.304 7.549
257 HA SER 40 HA SER 40 8.485 34.811 8.056
258 HB2 SER 40 HB2 SER 40 9.312 32.520 9.077
259 HB3 SER 40 HB3 SER 40 9.942 32.268 7.450
260 HG SER 40 HG SER 40 10.825 33.936 9.427
261 H ARG 41 H ARG 41 8.430 35.975 6.249
262 HA ARG 41 HA ARG 41 8.844 34.589 3.681
263 HB2 ARG 41 HB2 ARG 41 7.514 37.273 4.036
264 HB3 ARG 41 HB3 ARG 41 7.535 36.263 2.597
265 HG2 ARG 41 HG2 ARG 41 6.087 34.661 3.613
266 HG3 ARG 41 HG3 ARG 41 6.206 35.471 5.176
267 HD2 ARG 41 HD2 ARG 41 4.094 35.918 3.888
268 HD3 ARG 41 HD3 ARG 41 4.989 37.350 4.394
269 HE ARG 41 HE ARG 41 5.792 36.612 1.800
270 HH11 ARG 41 HH11 ARG 41 3.070 37.961 3.501
271 HH12 ARG 41 HH12 ARG 41 2.496 38.860 2.136
272 HH21 ARG 41 HH21 ARG 41 5.046 37.792 -0.004
273 HH22 ARG 41 HH22 ARG 41 3.621 38.763 0.143
274 H CYS 42 H CYS 42 10.714 34.984 2.714
275 HA CYS 42 HA CYS 42 12.694 36.658 3.703
276 HB2 CYS 42 HB2 CYS 42 12.738 34.722 1.904
277 HB3 CYS 42 HB3 CYS 42 12.615 36.065 0.775
278 HG CYS 42 HG CYS 42 15.048 36.014 3.161
279 H SER 43 H SER 43 13.730 38.497 2.506
280 HA SER 43 HA SER 43 12.106 40.715 2.445
281 HB2 SER 43 HB2 SER 43 14.519 40.540 0.657
282 HB3 SER 43 HB3 SER 43 13.936 41.915 1.595
283 HG SER 43 HG SER 43 14.452 40.575 3.488
284 H LYS 44 H LYS 44 12.803 38.446 -0.128
285 HA LYS 44 HA LYS 44 11.970 39.837 -2.360
286 HB2 LYS 44 HB2 LYS 44 11.554 36.917 -1.697
287 HB3 LYS 44 HB3 LYS 44 11.333 37.613 -3.297
288 HG2 LYS 44 HG2 LYS 44 13.917 37.622 -1.751
289 HG3 LYS 44 HG3 LYS 44 13.500 36.486 -3.037
290 HD2 LYS 44 HD2 LYS 44 13.274 38.378 -4.600
291 HD3 LYS 44 HD3 LYS 44 13.754 39.482 -3.309
292 HE2 LYS 44 HE2 LYS 44 15.876 38.112 -3.118
293 HE3 LYS 44 HE3 LYS 44 15.397 37.330 -4.623
294 HZ1 LYS 44 HZ1 LYS 44 16.180 40.135 -4.167
295 HZ2 LYS 44 HZ2 LYS 44 16.758 39.042 -5.323
296 HZ3 LYS 44 HZ3 LYS 44 15.220 39.724 -5.498
297 H CYS 45 H CYS 45 10.063 38.492 0.226
298 HA CYS 45 HA CYS 45 7.560 38.303 -0.916
299 HB2 CYS 45 HB2 CYS 45 6.661 38.438 1.267
300 HB3 CYS 45 HB3 CYS 45 8.262 37.737 1.469
301 HG CYS 45 HG CYS 45 7.123 40.775 2.434
302 H ARG 46 H ARG 46 9.401 41.140 -0.157
303 HA ARG 46 HA ARG 46 7.504 43.107 0.088
304 HB2 ARG 46 HB2 ARG 46 10.146 43.190 -1.374
305 HB3 ARG 46 HB3 ARG 46 9.180 44.618 -1.026
306 HG2 ARG 46 HG2 ARG 46 10.039 42.768 1.165
307 HG3 ARG 46 HG3 ARG 46 11.114 44.026 0.551
308 HD2 ARG 46 HD2 ARG 46 8.312 44.610 1.468
309 HD3 ARG 46 HD3 ARG 46 9.683 44.605 2.577
310 HE ARG 46 HE ARG 46 10.362 46.249 0.446
311 HH11 ARG 46 HH11 ARG 46 7.991 46.150 2.993
312 HH12 ARG 46 HH12 ARG 46 7.839 47.872 3.097
313 HH21 ARG 46 HH21 ARG 46 10.170 48.518 0.572
314 HH22 ARG 46 HH22 ARG 46 9.078 49.219 1.718
315 H LYS 47 H LYS 47 8.552 41.448 -2.824
316 HA LYS 47 HA LYS 47 7.019 43.162 -4.571
317 HB2 LYS 47 HB2 LYS 47 8.759 40.756 -4.930
318 HB3 LYS 47 HB3 LYS 47 7.637 41.194 -6.212
319 HG2 LYS 47 HG2 LYS 47 9.647 43.106 -5.055
320 HG3 LYS 47 HG3 LYS 47 9.964 42.086 -6.460
321 HD2 LYS 47 HD2 LYS 47 8.399 43.200 -7.775
322 HD3 LYS 47 HD3 LYS 47 7.555 43.866 -6.375
323 HE2 LYS 47 HE2 LYS 47 8.705 45.699 -7.218
324 HE3 LYS 47 HE3 LYS 47 9.761 45.125 -5.928
325 HZ1 LYS 47 HZ1 LYS 47 10.241 45.265 -8.751
326 HZ2 LYS 47 HZ2 LYS 47 11.343 45.132 -7.474
327 HZ3 LYS 47 HZ3 LYS 47 10.609 43.745 -8.106
328 H GLN 48 H GLN 48 6.662 40.031 -3.036
329 HA GLN 48 HA GLN 48 4.271 39.366 -4.506
330 HB2 GLN 48 HB2 GLN 48 5.905 38.078 -2.377
331 HB3 GLN 48 HB3 GLN 48 4.223 37.585 -2.525
332 HG2 GLN 48 HG2 GLN 48 5.788 37.668 -5.024
333 HG3 GLN 48 HG3 GLN 48 6.230 36.424 -3.856
334 HE21 GLN 48 HE21 GLN 48 5.501 35.067 -5.700
335 HE22 GLN 48 HE22 GLN 48 3.827 34.646 -5.773
336 H SER 49 H SER 49 4.854 41.572 -2.184
337 HA SER 49 HA SER 49 2.952 41.207 -0.201
338 HB2 SER 49 HB2 SER 49 4.523 42.993 0.027
339 HB3 SER 49 HB3 SER 49 3.997 43.736 -1.483
340 HG SER 49 HG SER 49 2.689 44.836 -0.272
341 H ASN 50 H ASN 50 2.570 42.318 -3.499
342 HA ASN 50 HA ASN 50 0.068 43.482 -3.415
343 HB2 ASN 50 HB2 ASN 50 1.505 43.408 -5.425
344 HB3 ASN 50 HB3 ASN 50 1.152 41.692 -5.601
345 HD21 ASN 50 HD21 ASN 50 -0.257 44.906 -5.626
346 HD22 ASN 50 HD22 ASN 50 -1.614 44.506 -6.618
347 H LEU 51 H LEU 51 0.932 40.080 -3.375
348 HA LEU 51 HA LEU 51 -1.685 39.390 -2.392
349 HB2 LEU 51 HB2 LEU 51 -1.836 39.425 -4.931
350 HB3 LEU 51 HB3 LEU 51 -0.758 38.031 -4.908
351 HG LEU 51 HG LEU 51 -2.576 36.991 -3.359
352 HD11 LEU 51 HD11 LEU 51 -4.584 38.467 -4.876
353 HD12 LEU 51 HD12 LEU 51 -4.569 37.981 -3.181
354 HD13 LEU 51 HD13 LEU 51 -3.732 39.449 -3.685
355 HD21 LEU 51 HD21 LEU 51 -2.394 37.231 -6.287
356 HD22 LEU 51 HD22 LEU 51 -2.425 35.797 -5.262
357 HD23 LEU 51 HD23 LEU 51 -3.929 36.624 -5.666
358 H TYR 52 H TYR 52 -1.464 37.845 -0.913
359 HA TYR 52 HA TYR 52 0.760 35.941 -1.166
360 HB2 TYR 52 HB2 TYR 52 1.421 36.213 1.090
361 HB3 TYR 52 HB3 TYR 52 1.247 37.846 0.457
362 HD1 TYR 52 HD1 TYR 52 -1.258 38.805 0.769
363 HD2 TYR 52 HD2 TYR 52 0.573 35.827 3.194
364 HE1 TYR 52 HE1 TYR 52 -2.804 39.355 2.602
365 HE2 TYR 52 HE2 TYR 52 -0.968 36.368 5.033
366 HH TYR 52 HH TYR 52 -2.889 37.459 5.565
367 H GLU 53 H GLU 53 0.479 34.150 0.572
368 HA GLU 53 HA GLU 53 -2.242 33.553 1.307
369 HB2 GLU 53 HB2 GLU 53 -2.335 32.842 -0.997
370 HB3 GLU 53 HB3 GLU 53 -0.839 31.935 -0.823
371 HG2 GLU 53 HG2 GLU 53 -2.004 30.494 0.852
372 HG3 GLU 53 HG3 GLU 53 -3.501 31.323 0.430
373 H CYS 54 H CYS 54 -2.189 32.527 3.191
374 HA CYS 54 HA CYS 54 0.236 31.694 4.381
375 HB2 CYS 54 HB2 CYS 54 -1.725 32.521 5.657
376 HB3 CYS 54 HB3 CYS 54 -2.592 31.049 5.237
377 HG CYS 54 HG CYS 54 0.359 30.475 6.695
378 HA PRO 55 HA PRO 55 0.338 27.685 2.384
379 HB2 PRO 55 HB2 PRO 55 2.761 26.979 3.385
380 HB3 PRO 55 HB3 PRO 55 2.572 28.080 2.015
381 HG2 PRO 55 HG2 PRO 55 3.071 28.712 4.898
382 HG3 PRO 55 HG3 PRO 55 3.805 29.430 3.452
383 HD2 PRO 55 HD2 PRO 55 1.805 30.636 4.822
384 HD3 PRO 55 HD3 PRO 55 1.998 30.808 3.065
385 H ASP 56 H ASP 56 0.245 28.493 5.696
386 HA ASP 56 HA ASP 56 0.398 25.796 6.703
387 HB2 ASP 56 HB2 ASP 56 0.855 28.179 7.866
388 HB3 ASP 56 HB3 ASP 56 -0.817 27.934 8.364
389 H CYS 57 H CYS 57 -2.196 28.245 6.585
390 HA CYS 57 HA CYS 57 -4.154 26.057 6.743
391 HB2 CYS 57 HB2 CYS 57 -5.766 27.800 7.442
392 HB3 CYS 57 HB3 CYS 57 -4.381 27.699 8.522
393 HG CYS 57 HG CYS 57 -4.050 29.953 6.063
394 H GLY 58 H GLY 58 -2.659 27.159 4.340
395 HA2 GLY 58 HA2 GLY 58 -3.099 27.818 2.171
396 HA3 GLY 58 HA3 GLY 58 -4.472 26.738 2.357
397 H PHE 59 H PHE 59 -3.890 29.815 4.002
398 HA PHE 59 HA PHE 59 -6.500 30.740 3.103
399 HB2 PHE 59 HB2 PHE 59 -6.076 31.032 5.445
400 HB3 PHE 59 HB3 PHE 59 -4.535 31.819 5.126
401 HD1 PHE 59 HD1 PHE 59 -8.014 32.311 3.865
402 HD2 PHE 59 HD2 PHE 59 -4.588 34.029 5.716
403 HE1 PHE 59 HE1 PHE 59 -9.133 34.502 3.894
404 HE2 PHE 59 HE2 PHE 59 -5.702 36.223 5.749
405 HZ PHE 59 HZ PHE 59 -7.977 36.462 4.836
406 H MET 60 H MET 60 -6.563 31.697 1.177
407 HA MET 60 HA MET 60 -4.276 33.144 0.147
408 HB2 MET 60 HB2 MET 60 -7.016 32.746 -1.068
409 HB3 MET 60 HB3 MET 60 -5.595 33.370 -1.896
410 HG2 MET 60 HG2 MET 60 -4.697 31.331 -2.185
411 HG3 MET 60 HG3 MET 60 -5.268 30.740 -0.626
412 HE1 MET 60 HE1 MET 60 -8.324 29.331 -0.780
413 HE2 MET 60 HE2 MET 60 -7.195 28.189 -1.509
414 HE3 MET 60 HE3 MET 60 -6.642 29.292 -0.249
415 H GLY 61 H GLY 61 -3.952 35.252 0.401
416 HA2 GLY 61 HA2 GLY 61 -6.291 37.000 0.791
417 HA3 GLY 61 HA3 GLY 61 -4.932 37.091 1.901
418 HA PRO 62 HA PRO 62 -4.385 40.033 -1.738
419 HB2 PRO 62 HB2 PRO 62 -4.405 42.328 -0.288
420 HB3 PRO 62 HB3 PRO 62 -5.870 41.604 -0.961
421 HG2 PRO 62 HG2 PRO 62 -4.786 41.443 1.825
422 HG3 PRO 62 HG3 PRO 62 -6.457 41.691 1.288
423 HD2 PRO 62 HD2 PRO 62 -5.537 39.286 2.124
424 HD3 PRO 62 HD3 PRO 62 -6.791 39.448 0.878
Start of MODEL 7
1 H1 GLY 1 H GLY 1 11.036 7.917 -8.088
2 HA2 GLY 1 HA2 GLY 1 10.711 7.538 -5.175
3 HA3 GLY 1 HA3 GLY 1 11.925 8.582 -5.899
4 H ALA 2 H ALA 2 8.418 8.149 -5.586
5 HA ALA 2 HA ALA 2 7.616 10.638 -6.547
6 HB1 ALA 2 HB1 ALA 2 5.827 9.254 -6.270
7 HB2 ALA 2 HB2 ALA 2 6.420 8.608 -4.740
8 HB3 ALA 2 HB3 ALA 2 5.680 10.207 -4.794
9 H MET 3 H MET 3 6.483 12.305 -5.066
10 HA MET 3 HA MET 3 8.514 13.417 -3.367
11 HB2 MET 3 HB2 MET 3 7.119 15.350 -3.229
12 HB3 MET 3 HB3 MET 3 7.034 14.765 -4.885
13 HG2 MET 3 HG2 MET 3 4.926 13.484 -3.941
14 HG3 MET 3 HG3 MET 3 4.956 14.802 -2.773
15 HE1 MET 3 HE1 MET 3 5.915 17.064 -3.832
16 HE2 MET 3 HE2 MET 3 5.216 17.806 -5.271
17 HE3 MET 3 HE3 MET 3 4.250 17.645 -3.805
18 H GLY 4 H GLY 4 8.399 13.817 -1.152
19 HA2 GLY 4 HA2 GLY 4 6.586 12.007 0.286
20 HA3 GLY 4 HA3 GLY 4 8.087 12.669 0.915
21 H SER 5 H SER 5 4.744 13.430 0.106
22 HA SER 5 HA SER 5 4.878 15.994 1.448
23 HB2 SER 5 HB2 SER 5 2.377 14.625 0.462
24 HB3 SER 5 HB3 SER 5 2.657 16.351 0.690
25 HG SER 5 HG SER 5 2.775 15.488 -1.537
26 H GLU 6 H GLU 6 2.870 13.070 1.859
27 HA GLU 6 HA GLU 6 2.292 13.846 4.601
28 HB2 GLU 6 HB2 GLU 6 0.403 13.024 3.434
29 HB3 GLU 6 HB3 GLU 6 1.292 11.642 2.809
30 HG2 GLU 6 HG2 GLU 6 -0.248 10.963 4.547
31 HG3 GLU 6 HG3 GLU 6 1.419 10.699 5.053
32 H SER 7 H SER 7 4.000 11.314 2.838
33 HA SER 7 HA SER 7 4.592 9.610 4.963
34 HB2 SER 7 HB2 SER 7 5.046 9.405 2.377
35 HB3 SER 7 HB3 SER 7 6.620 10.072 2.807
36 HG SER 7 HG SER 7 5.993 7.596 2.919
37 H GLU 8 H GLU 8 6.454 12.360 3.694
38 HA GLU 8 HA GLU 8 8.278 12.181 5.968
39 HB2 GLU 8 HB2 GLU 8 8.318 13.700 3.375
40 HB3 GLU 8 HB3 GLU 8 9.387 14.148 4.697
41 HG2 GLU 8 HG2 GLU 8 10.293 11.853 4.696
42 HG3 GLU 8 HG3 GLU 8 9.281 11.485 3.301
43 H GLN 9 H GLN 9 8.869 14.211 7.098
44 HA GLN 9 HA GLN 9 6.490 15.538 8.009
45 HB2 GLN 9 HB2 GLN 9 9.378 16.039 8.747
46 HB3 GLN 9 HB3 GLN 9 7.971 16.649 9.608
47 HG2 GLN 9 HG2 GLN 9 8.453 14.861 10.911
48 HG3 GLN 9 HG3 GLN 9 7.383 14.081 9.746
49 HE21 GLN 9 HE21 GLN 9 8.797 12.321 10.890
50 HE22 GLN 9 HE22 GLN 9 10.180 11.819 9.985
51 H ARG 10 H ARG 10 7.133 18.076 8.559
52 HA ARG 10 HA ARG 10 7.883 19.304 5.995
53 HB2 ARG 10 HB2 ARG 10 6.055 21.018 6.484
54 HB3 ARG 10 HB3 ARG 10 5.534 19.434 5.925
55 HG2 ARG 10 HG2 ARG 10 5.710 19.867 8.852
56 HG3 ARG 10 HG3 ARG 10 4.396 20.656 7.977
57 HD2 ARG 10 HD2 ARG 10 3.387 18.682 7.437
58 HD3 ARG 10 HD3 ARG 10 4.906 17.789 7.409
59 HE ARG 10 HE ARG 10 4.235 18.634 10.042
60 HH11 ARG 10 HH11 ARG 10 3.513 16.251 7.609
61 HH12 ARG 10 HH12 ARG 10 3.001 15.051 8.749
62 HH21 ARG 10 HH21 ARG 10 3.563 17.063 11.554
63 HH22 ARG 10 HH22 ARG 10 3.029 15.515 10.993
64 H HIS 11 H HIS 11 9.915 19.466 7.311
65 HA HIS 11 HA HIS 11 9.818 21.793 9.116
66 HB2 HIS 11 HB2 HIS 11 11.981 19.686 8.996
67 HB3 HIS 11 HB3 HIS 11 11.795 20.952 10.205
68 HD1 HIS 11 HD1 HIS 11 11.713 17.657 10.447
69 HD2 HIS 11 HD2 HIS 11 8.626 20.394 10.939
70 HE1 HIS 11 HE1 HIS 11 10.007 16.496 11.885
71 H ALA 12 H ALA 12 9.996 23.348 7.490
72 HA ALA 12 HA ALA 12 12.613 24.082 6.760
73 HB1 ALA 12 HB1 ALA 12 11.387 22.222 4.983
74 HB2 ALA 12 HB2 ALA 12 11.544 23.775 4.162
75 HB3 ALA 12 HB3 ALA 12 12.966 22.998 4.858
76 H HIS 13 H HIS 13 12.304 26.179 7.165
77 HA HIS 13 HA HIS 13 9.851 27.507 6.366
78 HB2 HIS 13 HB2 HIS 13 12.128 28.121 8.157
79 HB3 HIS 13 HB3 HIS 13 11.367 29.503 7.375
80 HD1 HIS 13 HD1 HIS 13 10.751 30.031 9.979
81 HD2 HIS 13 HD2 HIS 13 8.753 26.870 8.168
82 HE1 HIS 13 HE1 HIS 13 8.733 29.600 11.416
83 H GLN 14 H GLN 14 9.704 28.042 4.280
84 HA GLN 14 HA GLN 14 12.004 29.408 3.046
85 HB2 GLN 14 HB2 GLN 14 10.261 27.234 2.019
86 HB3 GLN 14 HB3 GLN 14 10.730 28.485 0.875
87 HG2 GLN 14 HG2 GLN 14 12.903 27.852 0.854
88 HG3 GLN 14 HG3 GLN 14 12.878 27.311 2.532
89 HE21 GLN 14 HE21 GLN 14 14.033 25.452 1.766
90 HE22 GLN 14 HE22 GLN 14 13.174 24.140 1.042
91 H CYS 15 H CYS 15 11.315 30.790 1.140
92 HA CYS 15 HA CYS 15 9.397 32.680 2.044
93 HB2 CYS 15 HB2 CYS 15 11.460 33.157 0.641
94 HB3 CYS 15 HB3 CYS 15 10.566 32.521 -0.735
95 HG CYS 15 HG CYS 15 10.730 35.490 -0.307
96 H VAL 16 H VAL 16 7.351 33.133 1.327
97 HA VAL 16 HA VAL 16 5.858 30.962 0.226
98 HB VAL 16 HB VAL 16 3.917 32.387 0.425
99 HG11 VAL 16 HG11 VAL 16 5.866 32.539 2.707
100 HG12 VAL 16 HG12 VAL 16 4.206 33.119 2.844
101 HG13 VAL 16 HG13 VAL 16 4.520 31.421 2.484
102 HG21 VAL 16 HG21 VAL 16 4.169 34.746 1.188
103 HG22 VAL 16 HG22 VAL 16 5.902 34.608 0.890
104 HG23 VAL 16 HG23 VAL 16 4.763 34.455 -0.447
105 H SER 17 H SER 17 7.324 33.837 -1.058
106 HA SER 17 HA SER 17 5.831 33.835 -3.514
107 HB2 SER 17 HB2 SER 17 7.155 35.785 -2.287
108 HB3 SER 17 HB3 SER 17 8.475 35.206 -3.302
109 HG SER 17 HG SER 17 7.079 35.498 -5.110
110 H CYS 18 H CYS 18 9.292 33.293 -2.824
111 HA CYS 18 HA CYS 18 9.402 31.573 -5.208
112 HB2 CYS 18 HB2 CYS 18 10.896 33.472 -5.371
113 HB3 CYS 18 HB3 CYS 18 11.589 33.109 -3.795
114 HG CYS 18 HG CYS 18 13.588 32.293 -5.357
115 H GLY 19 H GLY 19 11.482 31.799 -2.333
116 HA2 GLY 19 HA2 GLY 19 10.831 29.711 -0.807
117 HA3 GLY 19 HA3 GLY 19 11.547 28.893 -2.188
118 H ILE 20 H ILE 20 12.551 31.977 -0.791
119 HA ILE 20 HA ILE 20 15.275 31.384 -0.830
120 HB ILE 20 HB ILE 20 13.826 33.340 0.958
121 HG12 ILE 20 HG12 ILE 20 15.074 34.798 -0.983
122 HG13 ILE 20 HG13 ILE 20 14.621 33.353 -1.880
123 HG21 ILE 20 HG21 ILE 20 16.034 34.493 1.035
124 HG22 ILE 20 HG22 ILE 20 16.010 32.930 1.851
125 HG23 ILE 20 HG23 ILE 20 16.744 33.080 0.255
126 HD11 ILE 20 HD11 ILE 20 12.555 34.623 -0.180
127 HD12 ILE 20 HD12 ILE 20 13.020 35.439 -1.673
128 HD13 ILE 20 HD13 ILE 20 12.400 33.789 -1.726
129 H ASN 21 H ASN 21 16.729 30.664 0.693
130 HA ASN 21 HA ASN 21 15.683 28.884 2.688
131 HB2 ASN 21 HB2 ASN 21 18.142 28.507 3.185
132 HB3 ASN 21 HB3 ASN 21 17.632 28.140 1.540
133 HD21 ASN 21 HD21 ASN 21 19.951 28.341 1.135
134 HD22 ASN 21 HD22 ASN 21 20.601 29.909 0.811
135 H ILE 22 H ILE 22 14.626 31.026 3.596
136 HA ILE 22 HA ILE 22 16.424 32.345 5.490
137 HB ILE 22 HB ILE 22 14.475 33.826 5.957
138 HG12 ILE 22 HG12 ILE 22 13.201 32.430 3.597
139 HG13 ILE 22 HG13 ILE 22 12.752 32.130 5.272
140 HG21 ILE 22 HG21 ILE 22 16.196 33.800 3.777
141 HG22 ILE 22 HG22 ILE 22 14.613 34.164 3.091
142 HG23 ILE 22 HG23 ILE 22 15.270 35.175 4.378
143 HD11 ILE 22 HD11 ILE 22 11.456 33.927 5.334
144 HD12 ILE 22 HD12 ILE 22 12.706 34.949 4.624
145 HD13 ILE 22 HD13 ILE 22 11.644 34.001 3.582
146 H ALA 23 H ALA 23 15.766 29.597 5.923
147 HA ALA 23 HA ALA 23 13.695 29.321 7.846
148 HB1 ALA 23 HB1 ALA 23 14.716 27.474 6.466
149 HB2 ALA 23 HB2 ALA 23 16.093 27.525 7.567
150 HB3 ALA 23 HB3 ALA 23 14.490 27.114 8.178
151 H GLY 24 H GLY 24 13.686 30.216 9.798
152 HA2 GLY 24 HA2 GLY 24 14.374 30.820 11.907
153 HA3 GLY 24 HA3 GLY 24 15.774 29.784 11.672
154 H MET 25 H MET 25 15.289 32.208 9.301
155 HA MET 25 HA MET 25 17.519 33.742 10.453
156 HB2 MET 25 HB2 MET 25 16.569 33.604 7.586
157 HB3 MET 25 HB3 MET 25 17.954 34.520 8.164
158 HG2 MET 25 HG2 MET 25 17.721 31.540 8.456
159 HG3 MET 25 HG3 MET 25 18.460 32.321 7.060
160 HE1 MET 25 HE1 MET 25 21.901 33.138 8.048
161 HE2 MET 25 HE2 MET 25 20.711 32.723 6.815
162 HE3 MET 25 HE3 MET 25 20.634 34.289 7.623
163 H SER 26 H SER 26 17.383 36.088 9.172
164 HA SER 26 HA SER 26 15.167 37.376 10.476
165 HB2 SER 26 HB2 SER 26 17.040 38.715 10.625
166 HB3 SER 26 HB3 SER 26 17.611 38.279 9.015
167 HG SER 26 HG SER 26 16.412 39.812 8.157
168 H ALA 27 H ALA 27 13.230 37.645 9.612
169 HA ALA 27 HA ALA 27 12.746 38.724 7.073
170 HB1 ALA 27 HB1 ALA 27 13.424 36.697 6.072
171 HB2 ALA 27 HB2 ALA 27 12.526 35.729 7.241
172 HB3 ALA 27 HB3 ALA 27 11.660 36.684 6.037
173 H ALA 28 H ALA 28 10.386 38.610 6.481
174 HA ALA 28 HA ALA 28 8.794 39.383 8.630
175 HB1 ALA 28 HB1 ALA 28 6.955 38.607 6.766
176 HB2 ALA 28 HB2 ALA 28 7.778 40.167 6.797
177 HB3 ALA 28 HB3 ALA 28 8.395 38.864 5.781
178 H THR 29 H THR 29 8.475 38.043 10.315
179 HA THR 29 HA THR 29 7.516 35.315 9.758
180 HB THR 29 HB THR 29 8.196 35.844 12.540
181 HG1 THR 29 HG1 THR 29 10.476 35.975 12.118
182 HG21 THR 29 HG21 THR 29 9.832 33.868 11.769
183 HG22 THR 29 HG22 THR 29 8.125 33.609 12.127
184 HG23 THR 29 HG23 THR 29 8.658 33.791 10.456
185 H PHE 30 H PHE 30 5.417 34.982 10.021
186 HA PHE 30 HA PHE 30 4.013 36.279 12.227
187 HB2 PHE 30 HB2 PHE 30 2.123 36.903 10.749
188 HB3 PHE 30 HB3 PHE 30 3.602 37.774 10.358
189 HD1 PHE 30 HD1 PHE 30 4.984 36.976 8.400
190 HD2 PHE 30 HD2 PHE 30 1.017 35.622 9.140
191 HE1 PHE 30 HE1 PHE 30 4.806 36.229 6.063
192 HE2 PHE 30 HE2 PHE 30 0.833 34.872 6.804
193 HZ PHE 30 HZ PHE 30 2.729 35.176 5.262
194 H LYS 31 H LYS 31 1.619 35.412 12.200
195 HA LYS 31 HA LYS 31 1.775 32.504 11.746
196 HB2 LYS 31 HB2 LYS 31 1.689 32.921 14.098
197 HB3 LYS 31 HB3 LYS 31 0.383 34.084 13.908
198 HG2 LYS 31 HG2 LYS 31 -1.103 32.264 13.180
199 HG3 LYS 31 HG3 LYS 31 0.208 31.113 13.450
200 HD2 LYS 31 HD2 LYS 31 -0.973 30.955 15.428
201 HD3 LYS 31 HD3 LYS 31 0.258 32.150 15.840
202 HE2 LYS 31 HE2 LYS 31 -2.373 33.045 14.744
203 HE3 LYS 31 HE3 LYS 31 -2.249 32.578 16.439
204 HZ1 LYS 31 HZ1 LYS 31 -1.529 34.627 16.818
205 HZ2 LYS 31 HZ2 LYS 31 -0.108 34.237 15.987
206 HZ3 LYS 31 HZ3 LYS 31 -1.392 34.974 15.168
207 H CYS 32 H CYS 32 0.391 31.676 10.330
208 HA CYS 32 HA CYS 32 -1.480 33.267 8.938
209 HB2 CYS 32 HB2 CYS 32 -0.308 31.194 8.076
210 HB3 CYS 32 HB3 CYS 32 -1.443 30.250 9.033
211 HG CYS 32 HG CYS 32 -3.115 30.063 7.105
212 HA PRO 33 HA PRO 33 -4.823 33.071 11.854
213 HB2 PRO 33 HB2 PRO 33 -6.662 34.307 10.285
214 HB3 PRO 33 HB3 PRO 33 -5.372 35.178 11.122
215 HG2 PRO 33 HG2 PRO 33 -5.516 34.292 8.266
216 HG3 PRO 33 HG3 PRO 33 -4.950 35.835 8.932
217 HD2 PRO 33 HD2 PRO 33 -3.252 33.874 8.155
218 HD3 PRO 33 HD3 PRO 33 -2.885 34.980 9.494
219 H ASP 34 H ASP 34 -4.551 31.443 8.908
220 HA ASP 34 HA ASP 34 -7.203 30.255 8.997
221 HB2 ASP 34 HB2 ASP 34 -5.833 30.871 6.868
222 HB3 ASP 34 HB3 ASP 34 -5.000 29.349 7.169
223 H CYS 35 H CYS 35 -3.832 29.106 9.151
224 HA CYS 35 HA CYS 35 -4.808 26.734 10.600
225 HB2 CYS 35 HB2 CYS 35 -2.597 25.709 9.839
226 HB3 CYS 35 HB3 CYS 35 -3.818 25.965 8.597
227 HG CYS 35 HG CYS 35 -1.395 26.570 7.432
228 H GLY 36 H GLY 36 -2.160 29.090 10.399
229 HA2 GLY 36 HA2 GLY 36 -1.370 30.172 12.406
230 HA3 GLY 36 HA3 GLY 36 -1.733 28.696 13.288
231 H GLN 37 H GLN 37 -0.222 28.364 10.215
232 HA GLN 37 HA GLN 37 2.128 27.243 11.468
233 HB2 GLN 37 HB2 GLN 37 1.470 27.566 8.535
234 HB3 GLN 37 HB3 GLN 37 2.774 26.593 9.202
235 HG2 GLN 37 HG2 GLN 37 0.060 25.993 10.187
236 HG3 GLN 37 HG3 GLN 37 0.392 25.599 8.502
237 HE21 GLN 37 HE21 GLN 37 -0.073 23.424 9.497
238 HE22 GLN 37 HE22 GLN 37 1.282 22.542 10.105
239 H GLU 38 H GLU 38 3.929 28.324 11.890
240 HA GLU 38 HA GLU 38 4.311 31.024 11.489
241 HB2 GLU 38 HB2 GLU 38 5.622 29.347 12.963
242 HB3 GLU 38 HB3 GLU 38 6.636 29.121 11.545
243 HG2 GLU 38 HG2 GLU 38 7.264 31.430 11.548
244 HG3 GLU 38 HG3 GLU 38 6.112 31.788 12.833
245 H ILE 39 H ILE 39 4.388 32.109 9.643
246 HA ILE 39 HA ILE 39 5.562 30.840 7.275
247 HB ILE 39 HB ILE 39 4.047 33.441 7.322
248 HG12 ILE 39 HG12 ILE 39 2.960 30.637 6.995
249 HG13 ILE 39 HG13 ILE 39 2.596 31.755 8.305
250 HG21 ILE 39 HG21 ILE 39 5.484 32.734 5.346
251 HG22 ILE 39 HG22 ILE 39 4.299 31.454 5.084
252 HG23 ILE 39 HG23 ILE 39 3.803 33.145 5.003
253 HD11 ILE 39 HD11 ILE 39 0.876 32.506 7.147
254 HD12 ILE 39 HD12 ILE 39 1.979 33.074 5.893
255 HD13 ILE 39 HD13 ILE 39 1.297 31.450 5.798
256 H SER 40 H SER 40 7.393 31.549 6.354
257 HA SER 40 HA SER 40 8.589 34.028 7.411
258 HB2 SER 40 HB2 SER 40 10.775 33.013 7.293
259 HB3 SER 40 HB3 SER 40 9.721 31.933 8.206
260 HG SER 40 HG SER 40 10.761 31.644 5.615
261 H ARG 41 H ARG 41 8.442 35.508 5.856
262 HA ARG 41 HA ARG 41 9.077 34.697 3.095
263 HB2 ARG 41 HB2 ARG 41 7.457 37.120 3.863
264 HB3 ARG 41 HB3 ARG 41 7.601 36.369 2.279
265 HG2 ARG 41 HG2 ARG 41 6.333 34.463 3.007
266 HG3 ARG 41 HG3 ARG 41 6.302 35.072 4.664
267 HD2 ARG 41 HD2 ARG 41 4.969 36.262 2.239
268 HD3 ARG 41 HD3 ARG 41 4.191 35.563 3.658
269 HE ARG 41 HE ARG 41 5.651 37.588 4.693
270 HH11 ARG 41 HH11 ARG 41 3.343 37.391 2.094
271 HH12 ARG 41 HH12 ARG 41 2.783 39.018 2.294
272 HH21 ARG 41 HH21 ARG 41 4.922 39.732 4.966
273 HH22 ARG 41 HH22 ARG 41 3.683 40.349 3.927
274 H CYS 42 H CYS 42 10.897 35.488 2.285
275 HA CYS 42 HA CYS 42 12.665 37.120 3.668
276 HB2 CYS 42 HB2 CYS 42 12.952 35.616 1.516
277 HB3 CYS 42 HB3 CYS 42 12.688 37.140 0.678
278 HG CYS 42 HG CYS 42 14.885 38.427 1.706
279 H SER 43 H SER 43 13.504 39.269 2.922
280 HA SER 43 HA SER 43 11.647 41.265 3.256
281 HB2 SER 43 HB2 SER 43 14.062 41.763 1.543
282 HB3 SER 43 HB3 SER 43 13.348 42.792 2.784
283 HG SER 43 HG SER 43 15.191 40.767 3.018
284 H LYS 44 H LYS 44 12.622 39.668 0.299
285 HA LYS 44 HA LYS 44 11.674 41.395 -1.630
286 HB2 LYS 44 HB2 LYS 44 11.679 38.381 -1.538
287 HB3 LYS 44 HB3 LYS 44 11.200 39.284 -2.969
288 HG2 LYS 44 HG2 LYS 44 13.857 39.723 -1.652
289 HG3 LYS 44 HG3 LYS 44 13.603 38.439 -2.837
290 HD2 LYS 44 HD2 LYS 44 13.103 39.975 -4.549
291 HD3 LYS 44 HD3 LYS 44 12.872 41.299 -3.404
292 HE2 LYS 44 HE2 LYS 44 15.001 41.468 -4.636
293 HE3 LYS 44 HE3 LYS 44 15.234 41.321 -2.895
294 HZ1 LYS 44 HZ1 LYS 44 15.997 39.162 -3.095
295 HZ2 LYS 44 HZ2 LYS 44 15.306 38.933 -4.622
296 HZ3 LYS 44 HZ3 LYS 44 16.677 39.909 -4.452
297 H CYS 45 H CYS 45 9.884 39.317 0.530
298 HA CYS 45 HA CYS 45 7.427 39.178 -0.734
299 HB2 CYS 45 HB2 CYS 45 6.501 38.624 1.358
300 HB3 CYS 45 HB3 CYS 45 8.176 38.098 1.468
301 HG CYS 45 HG CYS 45 8.929 40.513 2.848
302 H ARG 46 H ARG 46 8.983 41.889 0.732
303 HA ARG 46 HA ARG 46 6.917 43.547 1.448
304 HB2 ARG 46 HB2 ARG 46 9.569 44.141 0.154
305 HB3 ARG 46 HB3 ARG 46 8.457 45.427 0.602
306 HG2 ARG 46 HG2 ARG 46 9.614 43.384 2.488
307 HG3 ARG 46 HG3 ARG 46 10.167 45.050 2.307
308 HD2 ARG 46 HD2 ARG 46 7.471 45.351 2.720
309 HD3 ARG 46 HD3 ARG 46 7.867 43.977 3.752
310 HE ARG 46 HE ARG 46 8.911 45.426 5.165
311 HH11 ARG 46 HH11 ARG 46 8.725 46.898 2.015
312 HH12 ARG 46 HH12 ARG 46 9.391 48.409 2.539
313 HH21 ARG 46 HH21 ARG 46 9.789 47.411 5.866
314 HH22 ARG 46 HH22 ARG 46 9.996 48.700 4.729
315 H LYS 47 H LYS 47 8.066 42.776 -1.782
316 HA LYS 47 HA LYS 47 6.331 44.705 -3.052
317 HB2 LYS 47 HB2 LYS 47 7.280 44.005 -5.097
318 HB3 LYS 47 HB3 LYS 47 8.597 43.940 -3.933
319 HG2 LYS 47 HG2 LYS 47 7.760 41.429 -3.710
320 HG3 LYS 47 HG3 LYS 47 7.206 41.748 -5.356
321 HD2 LYS 47 HD2 LYS 47 10.019 42.254 -4.393
322 HD3 LYS 47 HD3 LYS 47 9.505 40.774 -5.205
323 HE2 LYS 47 HE2 LYS 47 9.280 41.800 -7.230
324 HE3 LYS 47 HE3 LYS 47 8.871 43.360 -6.517
325 HZ1 LYS 47 HZ1 LYS 47 10.962 43.987 -6.778
326 HZ2 LYS 47 HZ2 LYS 47 11.500 42.719 -5.796
327 HZ3 LYS 47 HZ3 LYS 47 11.353 42.492 -7.466
328 H GLN 48 H GLN 48 6.307 41.283 -2.317
329 HA GLN 48 HA GLN 48 3.978 40.751 -3.936
330 HB2 GLN 48 HB2 GLN 48 5.355 39.037 -1.860
331 HB3 GLN 48 HB3 GLN 48 4.092 38.494 -2.958
332 HG2 GLN 48 HG2 GLN 48 6.531 39.716 -4.126
333 HG3 GLN 48 HG3 GLN 48 6.647 38.089 -3.458
334 HE21 GLN 48 HE21 GLN 48 6.790 39.139 -6.238
335 HE22 GLN 48 HE22 GLN 48 5.626 38.220 -7.123
336 H SER 49 H SER 49 4.369 42.381 -1.145
337 HA SER 49 HA SER 49 2.534 41.358 0.667
338 HB2 SER 49 HB2 SER 49 3.069 44.283 0.096
339 HB3 SER 49 HB3 SER 49 2.387 43.619 1.580
340 HG SER 49 HG SER 49 4.337 43.238 2.232
341 H ASN 50 H ASN 50 2.013 43.219 -2.256
342 HA ASN 50 HA ASN 50 -0.591 44.071 -1.919
343 HB2 ASN 50 HB2 ASN 50 0.514 42.969 -4.508
344 HB3 ASN 50 HB3 ASN 50 -0.750 44.181 -4.314
345 HD21 ASN 50 HD21 ASN 50 0.094 46.044 -2.779
346 HD22 ASN 50 HD22 ASN 50 1.602 46.722 -3.278
347 H LEU 51 H LEU 51 0.608 40.873 -2.729
348 HA LEU 51 HA LEU 51 -1.935 39.710 -2.015
349 HB2 LEU 51 HB2 LEU 51 -1.994 40.353 -4.502
350 HB3 LEU 51 HB3 LEU 51 -0.852 39.030 -4.728
351 HG LEU 51 HG LEU 51 -2.616 37.552 -3.613
352 HD11 LEU 51 HD11 LEU 51 -3.897 40.040 -3.334
353 HD12 LEU 51 HD12 LEU 51 -4.821 39.126 -4.526
354 HD13 LEU 51 HD13 LEU 51 -4.525 38.443 -2.927
355 HD21 LEU 51 HD21 LEU 51 -2.439 37.034 -5.811
356 HD22 LEU 51 HD22 LEU 51 -4.040 37.773 -5.865
357 HD23 LEU 51 HD23 LEU 51 -2.621 38.708 -6.335
358 H TYR 52 H TYR 52 -1.514 37.960 -0.853
359 HA TYR 52 HA TYR 52 0.863 36.357 -1.509
360 HB2 TYR 52 HB2 TYR 52 1.514 36.185 0.758
361 HB3 TYR 52 HB3 TYR 52 1.179 37.894 0.503
362 HD1 TYR 52 HD1 TYR 52 -1.379 38.543 1.009
363 HD2 TYR 52 HD2 TYR 52 0.703 35.236 2.693
364 HE1 TYR 52 HE1 TYR 52 -2.955 38.520 2.897
365 HE2 TYR 52 HE2 TYR 52 -0.869 35.203 4.585
366 HH TYR 52 HH TYR 52 -3.691 37.308 4.667
367 H GLU 53 H GLU 53 0.765 34.205 -0.223
368 HA GLU 53 HA GLU 53 -1.881 33.210 0.333
369 HB2 GLU 53 HB2 GLU 53 -2.001 32.984 -2.037
370 HB3 GLU 53 HB3 GLU 53 -0.373 32.328 -2.124
371 HG2 GLU 53 HG2 GLU 53 -2.212 30.784 -0.451
372 HG3 GLU 53 HG3 GLU 53 -2.652 30.857 -2.156
373 H CYS 54 H CYS 54 -1.718 31.788 1.932
374 HA CYS 54 HA CYS 54 0.781 30.947 2.945
375 HB2 CYS 54 HB2 CYS 54 -1.248 31.253 4.338
376 HB3 CYS 54 HB3 CYS 54 -1.965 29.842 3.570
377 HG CYS 54 HG CYS 54 0.998 29.072 4.796
378 HA PRO 55 HA PRO 55 1.291 27.540 0.081
379 HB2 PRO 55 HB2 PRO 55 3.778 26.873 0.940
380 HB3 PRO 55 HB3 PRO 55 3.469 28.235 -0.143
381 HG2 PRO 55 HG2 PRO 55 3.912 28.233 2.817
382 HG3 PRO 55 HG3 PRO 55 4.562 29.336 1.590
383 HD2 PRO 55 HD2 PRO 55 2.453 29.983 3.160
384 HD3 PRO 55 HD3 PRO 55 2.620 30.574 1.495
385 H ASP 56 H ASP 56 1.119 27.548 3.485
386 HA ASP 56 HA ASP 56 1.563 24.724 3.852
387 HB2 ASP 56 HB2 ASP 56 1.692 26.861 5.533
388 HB3 ASP 56 HB3 ASP 56 0.112 26.205 5.952
389 H CYS 57 H CYS 57 -1.280 26.852 4.202
390 HA CYS 57 HA CYS 57 -2.991 24.490 3.829
391 HB2 CYS 57 HB2 CYS 57 -4.784 25.857 4.846
392 HB3 CYS 57 HB3 CYS 57 -3.400 25.668 5.916
393 HG CYS 57 HG CYS 57 -4.886 28.375 5.310
394 H GLY 58 H GLY 58 -1.612 26.274 1.777
395 HA2 GLY 58 HA2 GLY 58 -2.114 27.342 -0.206
396 HA3 GLY 58 HA3 GLY 58 -3.353 26.100 -0.307
397 H PHE 59 H PHE 59 -3.138 28.783 1.990
398 HA PHE 59 HA PHE 59 -5.830 29.592 1.220
399 HB2 PHE 59 HB2 PHE 59 -5.496 29.369 3.582
400 HB3 PHE 59 HB3 PHE 59 -4.045 30.365 3.530
401 HD1 PHE 59 HD1 PHE 59 -7.554 30.746 2.311
402 HD2 PHE 59 HD2 PHE 59 -4.332 32.388 4.554
403 HE1 PHE 59 HE1 PHE 59 -8.912 32.740 2.794
404 HE2 PHE 59 HE2 PHE 59 -5.684 34.385 5.041
405 HZ PHE 59 HZ PHE 59 -7.977 34.563 4.162
406 H MET 60 H MET 60 -6.017 31.013 -0.376
407 HA MET 60 HA MET 60 -3.875 32.860 -0.994
408 HB2 MET 60 HB2 MET 60 -6.589 32.572 -2.294
409 HB3 MET 60 HB3 MET 60 -5.214 33.462 -2.934
410 HG2 MET 60 HG2 MET 60 -4.034 31.525 -3.438
411 HG3 MET 60 HG3 MET 60 -5.016 30.535 -2.360
412 HE1 MET 60 HE1 MET 60 -5.543 28.646 -3.908
413 HE2 MET 60 HE2 MET 60 -7.047 29.155 -3.139
414 HE3 MET 60 HE3 MET 60 -7.028 28.745 -4.854
415 H GLY 61 H GLY 61 -3.764 34.928 -0.385
416 HA2 GLY 61 HA2 GLY 61 -6.224 36.293 0.467
417 HA3 GLY 61 HA3 GLY 61 -4.860 36.232 1.574
418 HA PRO 62 HA PRO 62 -4.627 39.993 -1.259
419 HB2 PRO 62 HB2 PRO 62 -4.854 41.870 0.689
420 HB3 PRO 62 HB3 PRO 62 -6.249 41.191 -0.159
421 HG2 PRO 62 HG2 PRO 62 -5.137 40.481 2.528
422 HG3 PRO 62 HG3 PRO 62 -6.828 40.692 2.037
423 HD2 PRO 62 HD2 PRO 62 -5.680 38.254 2.300
424 HD3 PRO 62 HD3 PRO 62 -6.951 38.587 1.106
Start of MODEL 8
1 H1 GLY 1 H GLY 1 2.477 8.956 -5.774
2 HA2 GLY 1 HA2 GLY 1 4.556 8.122 -6.828
3 HA3 GLY 1 HA3 GLY 1 5.423 9.204 -5.748
4 H ALA 2 H ALA 2 4.762 8.806 -3.333
5 HA ALA 2 HA ALA 2 4.265 6.013 -2.727
6 HB1 ALA 2 HB1 ALA 2 6.312 5.426 -1.906
7 HB2 ALA 2 HB2 ALA 2 6.816 6.517 -3.197
8 HB3 ALA 2 HB3 ALA 2 6.763 7.089 -1.530
9 H MET 3 H MET 3 3.499 5.687 -0.669
10 HA MET 3 HA MET 3 2.435 7.932 0.692
11 HB2 MET 3 HB2 MET 3 2.695 5.068 1.627
12 HB3 MET 3 HB3 MET 3 1.681 6.298 2.371
13 HG2 MET 3 HG2 MET 3 0.489 6.486 0.162
14 HG3 MET 3 HG3 MET 3 1.374 5.048 -0.341
15 HE1 MET 3 HE1 MET 3 0.575 2.917 -0.218
16 HE2 MET 3 HE2 MET 3 -0.900 2.363 0.576
17 HE3 MET 3 HE3 MET 3 -0.992 3.541 -0.734
18 H GLY 4 H GLY 4 2.854 8.584 2.893
19 HA2 GLY 4 HA2 GLY 4 4.232 8.605 4.849
20 HA3 GLY 4 HA3 GLY 4 5.529 7.892 3.900
21 H SER 5 H SER 5 5.803 9.487 1.773
22 HA SER 5 HA SER 5 7.307 11.620 2.672
23 HB2 SER 5 HB2 SER 5 7.254 10.568 0.337
24 HB3 SER 5 HB3 SER 5 5.900 11.648 0.003
25 HG SER 5 HG SER 5 8.508 12.192 -0.052
26 H GLU 6 H GLU 6 3.948 11.645 1.518
27 HA GLU 6 HA GLU 6 3.547 14.422 1.799
28 HB2 GLU 6 HB2 GLU 6 1.560 12.146 1.848
29 HB3 GLU 6 HB3 GLU 6 1.123 13.846 1.748
30 HG2 GLU 6 HG2 GLU 6 1.039 13.260 -0.453
31 HG3 GLU 6 HG3 GLU 6 2.707 13.818 -0.334
32 H SER 7 H SER 7 2.685 11.708 3.935
33 HA SER 7 HA SER 7 1.508 13.174 5.982
34 HB2 SER 7 HB2 SER 7 1.462 10.694 5.805
35 HB3 SER 7 HB3 SER 7 3.157 10.653 6.289
36 HG SER 7 HG SER 7 2.447 10.688 8.255
37 H GLU 8 H GLU 8 4.898 12.510 5.327
38 HA GLU 8 HA GLU 8 5.710 13.907 7.759
39 HB2 GLU 8 HB2 GLU 8 7.197 12.298 5.695
40 HB3 GLU 8 HB3 GLU 8 8.044 13.281 6.882
41 HG2 GLU 8 HG2 GLU 8 6.221 10.950 7.409
42 HG3 GLU 8 HG3 GLU 8 7.960 11.038 7.680
43 H GLN 9 H GLN 9 7.649 15.425 7.468
44 HA GLN 9 HA GLN 9 7.838 16.875 5.009
45 HB2 GLN 9 HB2 GLN 9 6.859 18.939 5.664
46 HB3 GLN 9 HB3 GLN 9 5.668 17.692 6.010
47 HG2 GLN 9 HG2 GLN 9 6.490 17.712 8.383
48 HG3 GLN 9 HG3 GLN 9 7.432 19.141 7.961
49 HE21 GLN 9 HE21 GLN 9 5.621 19.327 9.946
50 HE22 GLN 9 HE22 GLN 9 4.262 20.268 9.443
51 H ARG 10 H ARG 10 9.178 18.944 5.370
52 HA ARG 10 HA ARG 10 11.200 18.383 7.440
53 HB2 ARG 10 HB2 ARG 10 11.453 19.255 4.588
54 HB3 ARG 10 HB3 ARG 10 12.681 19.745 5.749
55 HG2 ARG 10 HG2 ARG 10 13.614 17.819 4.981
56 HG3 ARG 10 HG3 ARG 10 12.672 17.174 6.327
57 HD2 ARG 10 HD2 ARG 10 12.345 15.794 4.372
58 HD3 ARG 10 HD3 ARG 10 10.848 16.642 4.755
59 HE ARG 10 HE ARG 10 12.076 18.250 2.934
60 HH11 ARG 10 HH11 ARG 10 11.148 14.896 2.996
61 HH12 ARG 10 HH12 ARG 10 10.886 14.801 1.286
62 HH21 ARG 10 HH21 ARG 10 11.735 18.139 0.681
63 HH22 ARG 10 HH22 ARG 10 11.221 16.646 -0.030
64 H HIS 11 H HIS 11 12.583 20.430 7.865
65 HA HIS 11 HA HIS 11 10.705 22.583 8.502
66 HB2 HIS 11 HB2 HIS 11 13.429 21.852 9.570
67 HB3 HIS 11 HB3 HIS 11 12.644 23.379 9.962
68 HD1 HIS 11 HD1 HIS 11 11.411 23.306 12.092
69 HD2 HIS 11 HD2 HIS 11 11.536 19.577 10.266
70 HE1 HIS 11 HE1 HIS 11 10.221 21.747 13.666
71 H ALA 12 H ALA 12 11.428 22.450 5.830
72 HA ALA 12 HA ALA 12 13.580 24.319 5.338
73 HB1 ALA 12 HB1 ALA 12 13.624 23.286 3.377
74 HB2 ALA 12 HB2 ALA 12 12.189 22.363 3.823
75 HB3 ALA 12 HB3 ALA 12 12.019 23.915 3.004
76 H HIS 13 H HIS 13 13.000 26.282 6.208
77 HA HIS 13 HA HIS 13 10.433 27.463 5.533
78 HB2 HIS 13 HB2 HIS 13 12.588 28.011 7.472
79 HB3 HIS 13 HB3 HIS 13 11.786 29.439 6.824
80 HD1 HIS 13 HD1 HIS 13 10.939 29.720 9.354
81 HD2 HIS 13 HD2 HIS 13 9.383 26.493 7.251
82 HE1 HIS 13 HE1 HIS 13 8.911 28.989 10.649
83 H GLN 14 H GLN 14 10.237 28.308 3.564
84 HA GLN 14 HA GLN 14 12.443 29.976 2.547
85 HB2 GLN 14 HB2 GLN 14 10.833 27.867 1.216
86 HB3 GLN 14 HB3 GLN 14 11.212 29.295 0.263
87 HG2 GLN 14 HG2 GLN 14 13.437 28.833 0.192
88 HG3 GLN 14 HG3 GLN 14 13.427 27.995 1.743
89 HE21 GLN 14 HE21 GLN 14 14.432 27.293 -1.000
90 HE22 GLN 14 HE22 GLN 14 13.760 25.734 -1.320
91 H CYS 15 H CYS 15 11.674 31.586 0.877
92 HA CYS 15 HA CYS 15 9.633 33.192 2.027
93 HB2 CYS 15 HB2 CYS 15 11.667 34.011 0.752
94 HB3 CYS 15 HB3 CYS 15 10.834 33.531 -0.721
95 HG CYS 15 HG CYS 15 8.853 35.425 1.106
96 H VAL 16 H VAL 16 7.552 33.553 1.415
97 HA VAL 16 HA VAL 16 6.221 31.508 -0.051
98 HB VAL 16 HB VAL 16 4.185 32.741 0.348
99 HG11 VAL 16 HG11 VAL 16 4.988 31.500 2.232
100 HG12 VAL 16 HG12 VAL 16 6.082 32.806 2.689
101 HG13 VAL 16 HG13 VAL 16 4.337 33.030 2.821
102 HG21 VAL 16 HG21 VAL 16 4.288 34.972 1.485
103 HG22 VAL 16 HG22 VAL 16 6.014 35.006 1.126
104 HG23 VAL 16 HG23 VAL 16 4.840 34.973 -0.190
105 H SER 17 H SER 17 7.492 34.638 -0.855
106 HA SER 17 HA SER 17 6.004 34.924 -3.297
107 HB2 SER 17 HB2 SER 17 6.796 36.905 -2.094
108 HB3 SER 17 HB3 SER 17 8.467 36.384 -2.309
109 HG SER 17 HG SER 17 6.783 36.739 -4.537
110 H CYS 18 H CYS 18 9.493 34.509 -2.663
111 HA CYS 18 HA CYS 18 9.719 33.196 -5.286
112 HB2 CYS 18 HB2 CYS 18 11.090 35.185 -5.131
113 HB3 CYS 18 HB3 CYS 18 11.796 34.627 -3.620
114 HG CYS 18 HG CYS 18 13.679 34.425 -5.710
115 H GLY 19 H GLY 19 11.776 33.093 -2.388
116 HA2 GLY 19 HA2 GLY 19 11.256 30.754 -1.217
117 HA3 GLY 19 HA3 GLY 19 12.023 30.210 -2.702
118 H ILE 20 H ILE 20 12.831 33.091 -0.826
119 HA ILE 20 HA ILE 20 15.590 32.659 -0.925
120 HB ILE 20 HB ILE 20 14.025 34.270 1.094
121 HG12 ILE 20 HG12 ILE 20 15.198 36.053 -0.600
122 HG13 ILE 20 HG13 ILE 20 14.856 34.722 -1.701
123 HG21 ILE 20 HG21 ILE 20 16.219 33.855 1.957
124 HG22 ILE 20 HG22 ILE 20 16.959 34.260 0.407
125 HG23 ILE 20 HG23 ILE 20 16.168 35.514 1.362
126 HD11 ILE 20 HD11 ILE 20 12.690 35.630 0.109
127 HD12 ILE 20 HD12 ILE 20 13.117 36.644 -1.268
128 HD13 ILE 20 HD13 ILE 20 12.604 34.977 -1.527
129 H ASN 21 H ASN 21 17.070 31.811 0.505
130 HA ASN 21 HA ASN 21 16.105 29.722 2.223
131 HB2 ASN 21 HB2 ASN 21 18.840 30.715 1.454
132 HB3 ASN 21 HB3 ASN 21 18.634 29.514 2.725
133 HD21 ASN 21 HD21 ASN 21 20.008 29.159 0.262
134 HD22 ASN 21 HD22 ASN 21 19.190 27.913 -0.612
135 H ILE 22 H ILE 22 14.937 31.667 3.402
136 HA ILE 22 HA ILE 22 16.655 32.806 5.476
137 HB ILE 22 HB ILE 22 14.618 34.093 6.127
138 HG12 ILE 22 HG12 ILE 22 13.443 32.988 3.570
139 HG13 ILE 22 HG13 ILE 22 13.006 32.410 5.174
140 HG21 ILE 22 HG21 ILE 22 15.327 35.700 4.758
141 HG22 ILE 22 HG22 ILE 22 16.362 34.484 4.010
142 HG23 ILE 22 HG23 ILE 22 14.771 34.827 3.330
143 HD11 ILE 22 HD11 ILE 22 12.797 35.302 4.878
144 HD12 ILE 22 HD12 ILE 22 11.738 34.392 3.801
145 HD13 ILE 22 HD13 ILE 22 11.652 34.138 5.544
146 H ALA 23 H ALA 23 16.170 29.998 5.537
147 HA ALA 23 HA ALA 23 14.106 29.306 7.345
148 HB1 ALA 23 HB1 ALA 23 14.861 27.483 6.172
149 HB2 ALA 23 HB2 ALA 23 16.555 27.949 6.322
150 HB3 ALA 23 HB3 ALA 23 15.704 27.260 7.705
151 H GLY 24 H GLY 24 13.952 29.951 9.387
152 HA2 GLY 24 HA2 GLY 24 14.513 30.356 11.580
153 HA3 GLY 24 HA3 GLY 24 16.011 29.486 11.284
154 H MET 25 H MET 25 15.375 32.126 9.197
155 HA MET 25 HA MET 25 17.417 33.700 10.611
156 HB2 MET 25 HB2 MET 25 16.557 33.816 7.714
157 HB3 MET 25 HB3 MET 25 17.816 34.804 8.443
158 HG2 MET 25 HG2 MET 25 17.940 31.809 8.456
159 HG3 MET 25 HG3 MET 25 18.539 32.769 7.105
160 HE1 MET 25 HE1 MET 25 20.758 34.732 7.625
161 HE2 MET 25 HE2 MET 25 21.968 33.491 7.953
162 HE3 MET 25 HE3 MET 25 20.676 33.178 6.794
163 H SER 26 H SER 26 17.100 36.168 9.639
164 HA SER 26 HA SER 26 14.733 37.073 10.998
165 HB2 SER 26 HB2 SER 26 16.702 38.387 11.318
166 HB3 SER 26 HB3 SER 26 16.974 38.522 9.581
167 HG SER 26 HG SER 26 15.552 40.123 11.164
168 H ALA 27 H ALA 27 12.814 37.409 10.111
169 HA ALA 27 HA ALA 27 12.374 38.687 7.651
170 HB1 ALA 27 HB1 ALA 27 11.477 35.893 7.304
171 HB2 ALA 27 HB2 ALA 27 12.043 37.063 6.111
172 HB3 ALA 27 HB3 ALA 27 13.204 36.198 7.119
173 H ALA 28 H ALA 28 10.034 38.565 6.983
174 HA ALA 28 HA ALA 28 8.359 39.167 9.107
175 HB1 ALA 28 HB1 ALA 28 6.792 39.603 7.541
176 HB2 ALA 28 HB2 ALA 28 8.156 39.414 6.439
177 HB3 ALA 28 HB3 ALA 28 7.044 38.071 6.705
178 H THR 29 H THR 29 8.042 37.765 10.739
179 HA THR 29 HA THR 29 7.254 35.008 10.081
180 HB THR 29 HB THR 29 7.673 35.396 12.897
181 HG1 THR 29 HG1 THR 29 10.009 35.928 11.391
182 HG21 THR 29 HG21 THR 29 8.693 33.686 10.696
183 HG22 THR 29 HG22 THR 29 9.666 33.782 12.164
184 HG23 THR 29 HG23 THR 29 7.993 33.233 12.250
185 H PHE 30 H PHE 30 5.125 34.724 10.036
186 HA PHE 30 HA PHE 30 3.520 35.799 12.237
187 HB2 PHE 30 HB2 PHE 30 1.725 36.441 10.659
188 HB3 PHE 30 HB3 PHE 30 3.198 37.372 10.408
189 HD1 PHE 30 HD1 PHE 30 4.749 36.660 8.528
190 HD2 PHE 30 HD2 PHE 30 0.753 35.248 8.912
191 HE1 PHE 30 HE1 PHE 30 4.752 36.015 6.153
192 HE2 PHE 30 HE2 PHE 30 0.749 34.600 6.539
193 HZ PHE 30 HZ PHE 30 2.751 34.982 5.156
194 H LYS 31 H LYS 31 1.242 34.810 12.152
195 HA LYS 31 HA LYS 31 1.529 31.950 11.519
196 HB2 LYS 31 HB2 LYS 31 1.245 32.246 13.868
197 HB3 LYS 31 HB3 LYS 31 -0.077 33.382 13.633
198 HG2 LYS 31 HG2 LYS 31 -1.458 31.567 12.726
199 HG3 LYS 31 HG3 LYS 31 -0.135 30.435 13.017
200 HD2 LYS 31 HD2 LYS 31 -1.301 32.120 15.216
201 HD3 LYS 31 HD3 LYS 31 -1.990 30.556 14.772
202 HE2 LYS 31 HE2 LYS 31 -0.538 29.936 16.441
203 HE3 LYS 31 HE3 LYS 31 0.485 29.738 15.018
204 HZ1 LYS 31 HZ1 LYS 31 0.550 32.378 16.189
205 HZ2 LYS 31 HZ2 LYS 31 1.160 31.159 17.191
206 HZ3 LYS 31 HZ3 LYS 31 1.821 31.399 15.653
207 H CYS 32 H CYS 32 0.296 31.128 9.967
208 HA CYS 32 HA CYS 32 -1.540 32.702 8.505
209 HB2 CYS 32 HB2 CYS 32 -0.200 30.726 7.646
210 HB3 CYS 32 HB3 CYS 32 -1.364 29.688 8.460
211 HG CYS 32 HG CYS 32 -2.855 29.527 6.385
212 HA PRO 33 HA PRO 33 -5.088 32.205 11.124
213 HB2 PRO 33 HB2 PRO 33 -6.868 33.392 9.453
214 HB3 PRO 33 HB3 PRO 33 -5.701 34.304 10.418
215 HG2 PRO 33 HG2 PRO 33 -5.570 33.514 7.533
216 HG3 PRO 33 HG3 PRO 33 -5.149 35.062 8.290
217 HD2 PRO 33 HD2 PRO 33 -3.284 33.228 7.589
218 HD3 PRO 33 HD3 PRO 33 -3.087 34.304 8.987
219 H ASP 34 H ASP 34 -4.485 30.694 8.168
220 HA ASP 34 HA ASP 34 -7.064 29.350 8.022
221 HB2 ASP 34 HB2 ASP 34 -5.628 30.147 6.009
222 HB3 ASP 34 HB3 ASP 34 -4.690 28.686 6.306
223 H CYS 35 H CYS 35 -3.640 28.402 8.325
224 HA CYS 35 HA CYS 35 -4.541 25.897 9.584
225 HB2 CYS 35 HB2 CYS 35 -2.191 25.097 8.980
226 HB3 CYS 35 HB3 CYS 35 -3.316 25.327 7.647
227 HG CYS 35 HG CYS 35 -0.557 26.171 7.159
228 H GLY 36 H GLY 36 -2.085 28.455 9.755
229 HA2 GLY 36 HA2 GLY 36 -1.561 29.476 11.874
230 HA3 GLY 36 HA3 GLY 36 -1.895 27.934 12.649
231 H GLN 37 H GLN 37 -0.086 27.864 9.724
232 HA GLN 37 HA GLN 37 2.218 26.858 11.154
233 HB2 GLN 37 HB2 GLN 37 1.678 27.191 8.199
234 HB3 GLN 37 HB3 GLN 37 3.126 26.450 8.868
235 HG2 GLN 37 HG2 GLN 37 1.652 24.770 9.983
236 HG3 GLN 37 HG3 GLN 37 0.298 25.455 9.085
237 HE21 GLN 37 HE21 GLN 37 3.514 24.054 8.642
238 HE22 GLN 37 HE22 GLN 37 3.165 23.285 7.135
239 H GLU 38 H GLU 38 4.166 27.834 11.388
240 HA GLU 38 HA GLU 38 4.320 30.639 11.287
241 HB2 GLU 38 HB2 GLU 38 5.670 29.001 12.730
242 HB3 GLU 38 HB3 GLU 38 6.720 28.822 11.331
243 HG2 GLU 38 HG2 GLU 38 7.161 31.233 11.367
244 HG3 GLU 38 HG3 GLU 38 6.138 31.387 12.794
245 H ILE 39 H ILE 39 4.393 31.836 9.511
246 HA ILE 39 HA ILE 39 5.728 30.781 7.121
247 HB ILE 39 HB ILE 39 4.024 33.259 7.241
248 HG12 ILE 39 HG12 ILE 39 3.146 30.414 6.704
249 HG13 ILE 39 HG13 ILE 39 2.687 31.396 8.091
250 HG21 ILE 39 HG21 ILE 39 3.911 33.103 4.913
251 HG22 ILE 39 HG22 ILE 39 5.590 32.712 5.289
252 HG23 ILE 39 HG23 ILE 39 4.448 31.423 4.909
253 HD11 ILE 39 HD11 ILE 39 2.039 32.817 5.715
254 HD12 ILE 39 HD12 ILE 39 1.401 31.177 5.596
255 HD13 ILE 39 HD13 ILE 39 0.965 32.196 6.969
256 H SER 40 H SER 40 7.611 31.576 6.449
257 HA SER 40 HA SER 40 8.556 34.101 7.642
258 HB2 SER 40 HB2 SER 40 10.852 33.205 7.369
259 HB3 SER 40 HB3 SER 40 9.867 32.203 8.434
260 HG SER 40 HG SER 40 9.467 30.872 6.541
261 H ARG 41 H ARG 41 8.428 35.679 6.191
262 HA ARG 41 HA ARG 41 9.165 35.080 3.401
263 HB2 ARG 41 HB2 ARG 41 7.443 37.393 4.275
264 HB3 ARG 41 HB3 ARG 41 7.646 36.741 2.655
265 HG2 ARG 41 HG2 ARG 41 6.431 34.752 3.246
266 HG3 ARG 41 HG3 ARG 41 6.335 35.271 4.930
267 HD2 ARG 41 HD2 ARG 41 5.034 36.558 2.537
268 HD3 ARG 41 HD3 ARG 41 4.235 35.736 3.877
269 HE ARG 41 HE ARG 41 5.632 37.771 5.048
270 HH11 ARG 41 HH11 ARG 41 3.226 37.547 2.542
271 HH12 ARG 41 HH12 ARG 41 2.550 39.108 2.872
272 HH21 ARG 41 HH21 ARG 41 4.750 39.827 5.493
273 HH22 ARG 41 HH22 ARG 41 3.418 40.404 4.550
274 H CYS 42 H CYS 42 10.978 35.984 2.702
275 HA CYS 42 HA CYS 42 12.645 37.582 4.239
276 HB2 CYS 42 HB2 CYS 42 13.027 36.239 1.986
277 HB3 CYS 42 HB3 CYS 42 12.764 37.822 1.266
278 HG CYS 42 HG CYS 42 15.493 37.484 1.380
279 H SER 43 H SER 43 13.440 39.802 3.607
280 HA SER 43 HA SER 43 11.519 41.716 4.050
281 HB2 SER 43 HB2 SER 43 14.195 41.949 2.667
282 HB3 SER 43 HB3 SER 43 13.203 43.348 3.078
283 HG SER 43 HG SER 43 14.734 42.884 4.710
284 H LYS 44 H LYS 44 12.544 40.319 1.010
285 HA LYS 44 HA LYS 44 11.548 42.122 -0.821
286 HB2 LYS 44 HB2 LYS 44 11.656 39.110 -0.888
287 HB3 LYS 44 HB3 LYS 44 11.122 40.062 -2.267
288 HG2 LYS 44 HG2 LYS 44 13.803 40.393 -0.942
289 HG3 LYS 44 HG3 LYS 44 13.511 39.360 -2.344
290 HD2 LYS 44 HD2 LYS 44 12.811 41.264 -3.653
291 HD3 LYS 44 HD3 LYS 44 12.938 42.321 -2.245
292 HE2 LYS 44 HE2 LYS 44 15.281 42.172 -2.212
293 HE3 LYS 44 HE3 LYS 44 15.291 40.763 -3.272
294 HZ1 LYS 44 HZ1 LYS 44 14.584 43.544 -4.035
295 HZ2 LYS 44 HZ2 LYS 44 15.967 42.688 -4.501
296 HZ3 LYS 44 HZ3 LYS 44 14.444 42.206 -5.060
297 H CYS 45 H CYS 45 9.816 39.899 1.232
298 HA CYS 45 HA CYS 45 7.369 39.722 -0.030
299 HB2 CYS 45 HB2 CYS 45 6.444 39.130 2.064
300 HB3 CYS 45 HB3 CYS 45 8.121 38.605 2.135
301 HG CYS 45 HG CYS 45 8.802 39.975 4.205
302 H ARG 46 H ARG 46 8.817 42.442 1.552
303 HA ARG 46 HA ARG 46 6.678 44.012 2.252
304 HB2 ARG 46 HB2 ARG 46 9.320 44.781 1.015
305 HB3 ARG 46 HB3 ARG 46 8.162 45.970 1.598
306 HG2 ARG 46 HG2 ARG 46 9.280 43.781 3.329
307 HG3 ARG 46 HG3 ARG 46 10.018 45.377 3.181
308 HD2 ARG 46 HD2 ARG 46 7.171 44.883 4.042
309 HD3 ARG 46 HD3 ARG 46 8.518 45.134 5.151
310 HE ARG 46 HE ARG 46 7.134 47.134 3.627
311 HH11 ARG 46 HH11 ARG 46 10.128 46.308 5.200
312 HH12 ARG 46 HH12 ARG 46 10.612 47.956 5.430
313 HH21 ARG 46 HH21 ARG 46 7.761 49.307 3.924
314 HH22 ARG 46 HH22 ARG 46 9.265 49.660 4.704
315 H LYS 47 H LYS 47 7.936 43.357 -0.958
316 HA LYS 47 HA LYS 47 6.210 45.290 -2.232
317 HB2 LYS 47 HB2 LYS 47 8.567 44.278 -2.974
318 HB3 LYS 47 HB3 LYS 47 7.524 43.126 -3.796
319 HG2 LYS 47 HG2 LYS 47 7.163 46.085 -4.114
320 HG3 LYS 47 HG3 LYS 47 8.298 45.167 -5.107
321 HD2 LYS 47 HD2 LYS 47 6.218 43.616 -5.496
322 HD3 LYS 47 HD3 LYS 47 5.316 45.060 -5.030
323 HE2 LYS 47 HE2 LYS 47 6.564 46.321 -6.778
324 HE3 LYS 47 HE3 LYS 47 7.295 44.801 -7.291
325 HZ1 LYS 47 HZ1 LYS 47 5.422 45.288 -8.679
326 HZ2 LYS 47 HZ2 LYS 47 5.034 43.954 -7.712
327 HZ3 LYS 47 HZ3 LYS 47 4.405 45.480 -7.340
328 H GLN 48 H GLN 48 6.236 41.836 -1.624
329 HA GLN 48 HA GLN 48 3.941 41.331 -3.297
330 HB2 GLN 48 HB2 GLN 48 5.599 39.661 -1.432
331 HB3 GLN 48 HB3 GLN 48 4.072 39.054 -2.060
332 HG2 GLN 48 HG2 GLN 48 5.588 38.203 -3.561
333 HG3 GLN 48 HG3 GLN 48 5.056 39.677 -4.370
334 HE21 GLN 48 HE21 GLN 48 6.771 40.337 -5.478
335 HE22 GLN 48 HE22 GLN 48 8.347 40.603 -4.823
336 H SER 49 H SER 49 4.256 42.857 -0.439
337 HA SER 49 HA SER 49 2.413 41.735 1.303
338 HB2 SER 49 HB2 SER 49 2.910 44.686 0.838
339 HB3 SER 49 HB3 SER 49 2.192 43.970 2.281
340 HG SER 49 HG SER 49 4.423 44.387 2.557
341 H ASN 50 H ASN 50 1.897 43.684 -1.563
342 HA ASN 50 HA ASN 50 -0.729 44.470 -1.240
343 HB2 ASN 50 HB2 ASN 50 0.986 44.845 -3.201
344 HB3 ASN 50 HB3 ASN 50 0.170 43.454 -3.908
345 HD21 ASN 50 HD21 ASN 50 -0.039 45.554 -5.381
346 HD22 ASN 50 HD22 ASN 50 -1.572 46.339 -5.235
347 H LEU 51 H LEU 51 0.550 41.327 -2.136
348 HA LEU 51 HA LEU 51 -1.939 40.063 -1.456
349 HB2 LEU 51 HB2 LEU 51 -2.081 40.872 -3.906
350 HB3 LEU 51 HB3 LEU 51 -0.962 39.552 -4.241
351 HG LEU 51 HG LEU 51 -2.762 38.096 -3.035
352 HD11 LEU 51 HD11 LEU 51 -4.829 39.784 -4.164
353 HD12 LEU 51 HD12 LEU 51 -4.751 38.987 -2.593
354 HD13 LEU 51 HD13 LEU 51 -3.992 40.562 -2.820
355 HD21 LEU 51 HD21 LEU 51 -3.503 37.424 -5.102
356 HD22 LEU 51 HD22 LEU 51 -3.618 39.072 -5.719
357 HD23 LEU 51 HD23 LEU 51 -2.040 38.303 -5.545
358 H TYR 52 H TYR 52 -1.453 38.226 -0.461
359 HA TYR 52 HA TYR 52 0.987 36.787 -1.263
360 HB2 TYR 52 HB2 TYR 52 1.606 36.400 0.986
361 HB3 TYR 52 HB3 TYR 52 1.189 38.108 0.912
362 HD1 TYR 52 HD1 TYR 52 -1.385 38.596 1.450
363 HD2 TYR 52 HD2 TYR 52 0.785 35.178 2.759
364 HE1 TYR 52 HE1 TYR 52 -2.991 38.288 3.287
365 HE2 TYR 52 HE2 TYR 52 -0.816 34.859 4.599
366 HH TYR 52 HH TYR 52 -3.045 35.441 5.222
367 H GLU 53 H GLU 53 0.970 34.504 -0.239
368 HA GLU 53 HA GLU 53 -1.633 33.333 0.156
369 HB2 GLU 53 HB2 GLU 53 -1.704 33.382 -2.232
370 HB3 GLU 53 HB3 GLU 53 -0.052 32.793 -2.356
371 HG2 GLU 53 HG2 GLU 53 -0.774 30.648 -1.383
372 HG3 GLU 53 HG3 GLU 53 -2.433 31.245 -1.360
373 H CYS 54 H CYS 54 -1.398 31.801 1.634
374 HA CYS 54 HA CYS 54 1.102 30.957 2.595
375 HB2 CYS 54 HB2 CYS 54 -1.001 30.962 3.924
376 HB3 CYS 54 HB3 CYS 54 -1.572 29.595 2.974
377 HG CYS 54 HG CYS 54 -0.782 28.609 5.440
378 HA PRO 55 HA PRO 55 1.918 27.976 -0.651
379 HB2 PRO 55 HB2 PRO 55 4.427 27.380 0.197
380 HB3 PRO 55 HB3 PRO 55 4.045 28.841 -0.723
381 HG2 PRO 55 HG2 PRO 55 4.422 28.505 2.228
382 HG3 PRO 55 HG3 PRO 55 5.018 29.792 1.163
383 HD2 PRO 55 HD2 PRO 55 2.834 30.096 2.735
384 HD3 PRO 55 HD3 PRO 55 2.995 30.898 1.159
385 H ASP 56 H ASP 56 1.671 27.555 2.723
386 HA ASP 56 HA ASP 56 2.301 24.740 2.751
387 HB2 ASP 56 HB2 ASP 56 1.880 26.798 4.698
388 HB3 ASP 56 HB3 ASP 56 0.802 25.451 5.054
389 H CYS 57 H CYS 57 -0.679 26.616 3.332
390 HA CYS 57 HA CYS 57 -2.228 24.223 2.614
391 HB2 CYS 57 HB2 CYS 57 -4.116 25.324 3.773
392 HB3 CYS 57 HB3 CYS 57 -2.732 25.083 4.832
393 HG CYS 57 HG CYS 57 -4.389 27.757 4.519
394 H GLY 58 H GLY 58 -0.952 26.344 0.839
395 HA2 GLY 58 HA2 GLY 58 -1.504 27.628 -0.997
396 HA3 GLY 58 HA3 GLY 58 -2.668 26.341 -1.276
397 H PHE 59 H PHE 59 -2.610 28.726 1.342
398 HA PHE 59 HA PHE 59 -5.348 29.461 0.664
399 HB2 PHE 59 HB2 PHE 59 -4.968 28.965 2.987
400 HB3 PHE 59 HB3 PHE 59 -3.608 30.082 3.055
401 HD1 PHE 59 HD1 PHE 59 -7.278 29.917 2.565
402 HD2 PHE 59 HD2 PHE 59 -3.930 32.320 3.628
403 HE1 PHE 59 HE1 PHE 59 -8.800 31.714 3.279
404 HE2 PHE 59 HE2 PHE 59 -5.446 34.120 4.345
405 HZ PHE 59 HZ PHE 59 -7.884 33.819 4.171
406 H MET 60 H MET 60 -5.548 30.997 -0.833
407 HA MET 60 HA MET 60 -3.546 33.038 -1.197
408 HB2 MET 60 HB2 MET 60 -6.255 32.739 -2.507
409 HB3 MET 60 HB3 MET 60 -4.963 33.809 -3.034
410 HG2 MET 60 HG2 MET 60 -3.733 32.116 -3.931
411 HG3 MET 60 HG3 MET 60 -4.368 30.913 -2.811
412 HE1 MET 60 HE1 MET 60 -4.978 30.261 -6.725
413 HE2 MET 60 HE2 MET 60 -3.715 30.364 -5.498
414 HE3 MET 60 HE3 MET 60 -4.937 29.096 -5.401
415 H GLY 61 H GLY 61 -3.582 35.094 -0.488
416 HA2 GLY 61 HA2 GLY 61 -6.077 36.197 0.580
417 HA3 GLY 61 HA3 GLY 61 -4.702 36.081 1.669
418 HA PRO 62 HA PRO 62 -4.683 40.134 -0.751
419 HB2 PRO 62 HB2 PRO 62 -5.055 41.783 1.374
420 HB3 PRO 62 HB3 PRO 62 -6.393 41.113 0.432
421 HG2 PRO 62 HG2 PRO 62 -5.279 40.197 3.055
422 HG3 PRO 62 HG3 PRO 62 -6.972 40.356 2.552
423 HD2 PRO 62 HD2 PRO 62 -5.680 37.976 2.588
424 HD3 PRO 62 HD3 PRO 62 -6.952 38.355 1.408
Start of MODEL 9
1 H1 GLY 1 H GLY 1 4.729 5.924 -7.932
2 HA2 GLY 1 HA2 GLY 1 2.552 7.496 -7.559
3 HA3 GLY 1 HA3 GLY 1 3.349 6.663 -6.232
4 H ALA 2 H ALA 2 3.136 8.167 -4.649
5 HA ALA 2 HA ALA 2 4.862 10.473 -4.803
6 HB1 ALA 2 HB1 ALA 2 3.331 12.171 -4.713
7 HB2 ALA 2 HB2 ALA 2 2.472 11.033 -5.750
8 HB3 ALA 2 HB3 ALA 2 2.066 11.145 -4.038
9 H MET 3 H MET 3 5.817 10.724 -2.891
10 HA MET 3 HA MET 3 5.149 9.116 -0.666
11 HB2 MET 3 HB2 MET 3 6.925 10.278 0.496
12 HB3 MET 3 HB3 MET 3 7.437 9.930 -1.150
13 HG2 MET 3 HG2 MET 3 6.717 12.291 -1.720
14 HG3 MET 3 HG3 MET 3 6.598 12.563 0.017
15 HE1 MET 3 HE1 MET 3 8.749 13.330 -2.837
16 HE2 MET 3 HE2 MET 3 8.308 14.463 -1.560
17 HE3 MET 3 HE3 MET 3 10.003 14.062 -1.836
18 H GLY 4 H GLY 4 4.472 9.786 1.448
19 HA2 GLY 4 HA2 GLY 4 2.260 11.596 1.368
20 HA3 GLY 4 HA3 GLY 4 2.855 10.742 2.784
21 H SER 5 H SER 5 3.080 13.648 0.872
22 HA SER 5 HA SER 5 5.202 14.941 2.104
23 HB2 SER 5 HB2 SER 5 4.149 17.039 1.375
24 HB3 SER 5 HB3 SER 5 4.056 15.815 0.109
25 HG SER 5 HG SER 5 1.991 16.134 0.153
26 H GLU 6 H GLU 6 1.861 14.597 3.152
27 HA GLU 6 HA GLU 6 2.036 16.424 5.324
28 HB2 GLU 6 HB2 GLU 6 0.116 14.229 4.595
29 HB3 GLU 6 HB3 GLU 6 -0.024 15.084 6.125
30 HG2 GLU 6 HG2 GLU 6 0.061 16.531 3.501
31 HG3 GLU 6 HG3 GLU 6 -1.440 15.906 4.180
32 H SER 7 H SER 7 2.565 12.961 4.980
33 HA SER 7 HA SER 7 2.755 12.329 7.716
34 HB2 SER 7 HB2 SER 7 2.643 10.796 5.574
35 HB3 SER 7 HB3 SER 7 4.402 10.865 5.690
36 HG SER 7 HG SER 7 3.296 9.107 6.858
37 H GLU 8 H GLU 8 5.308 13.009 5.325
38 HA GLU 8 HA GLU 8 7.395 12.973 7.272
39 HB2 GLU 8 HB2 GLU 8 8.843 13.695 5.486
40 HB3 GLU 8 HB3 GLU 8 7.747 12.469 4.865
41 HG2 GLU 8 HG2 GLU 8 6.315 14.348 4.000
42 HG3 GLU 8 HG3 GLU 8 7.640 15.435 4.412
43 H GLN 9 H GLN 9 8.468 14.660 8.242
44 HA GLN 9 HA GLN 9 7.492 17.378 7.768
45 HB2 GLN 9 HB2 GLN 9 7.630 16.070 10.490
46 HB3 GLN 9 HB3 GLN 9 7.317 17.777 10.206
47 HG2 GLN 9 HG2 GLN 9 5.267 17.220 9.022
48 HG3 GLN 9 HG3 GLN 9 5.586 15.503 9.262
49 HE21 GLN 9 HE21 GLN 9 4.090 14.819 10.630
50 HE22 GLN 9 HE22 GLN 9 3.707 15.544 12.150
51 H ARG 10 H ARG 10 9.007 18.960 8.037
52 HA ARG 10 HA ARG 10 11.486 18.463 9.415
53 HB2 ARG 10 HB2 ARG 10 12.940 18.785 7.478
54 HB3 ARG 10 HB3 ARG 10 11.928 17.363 7.268
55 HG2 ARG 10 HG2 ARG 10 10.981 19.947 6.147
56 HG3 ARG 10 HG3 ARG 10 12.290 19.094 5.325
57 HD2 ARG 10 HD2 ARG 10 10.816 17.046 5.368
58 HD3 ARG 10 HD3 ARG 10 9.509 18.099 5.906
59 HE ARG 10 HE ARG 10 10.605 17.907 3.253
60 HH11 ARG 10 HH11 ARG 10 8.854 19.908 5.500
61 HH12 ARG 10 HH12 ARG 10 8.087 20.850 4.265
62 HH21 ARG 10 HH21 ARG 10 9.602 19.140 1.617
63 HH22 ARG 10 HH22 ARG 10 8.512 20.412 2.056
64 H HIS 11 H HIS 11 13.015 20.400 9.062
65 HA HIS 11 HA HIS 11 11.490 22.778 9.584
66 HB2 HIS 11 HB2 HIS 11 14.448 22.198 9.479
67 HB3 HIS 11 HB3 HIS 11 13.814 23.816 9.766
68 HD1 HIS 11 HD1 HIS 11 13.432 24.391 12.142
69 HD2 HIS 11 HD2 HIS 11 13.451 20.282 11.527
70 HE1 HIS 11 HE1 HIS 11 13.232 23.368 14.431
71 H ALA 12 H ALA 12 10.556 22.493 7.281
72 HA ALA 12 HA ALA 12 12.258 23.564 5.183
73 HB1 ALA 12 HB1 ALA 12 9.415 22.578 5.203
74 HB2 ALA 12 HB2 ALA 12 10.183 23.288 3.783
75 HB3 ALA 12 HB3 ALA 12 10.829 21.805 4.487
76 H HIS 13 H HIS 13 12.655 25.684 5.801
77 HA HIS 13 HA HIS 13 10.301 27.454 5.893
78 HB2 HIS 13 HB2 HIS 13 13.011 27.711 7.194
79 HB3 HIS 13 HB3 HIS 13 11.896 29.067 7.053
80 HD1 HIS 13 HD1 HIS 13 12.750 28.035 9.814
81 HD2 HIS 13 HD2 HIS 13 9.334 26.773 7.814
82 HE1 HIS 13 HE1 HIS 13 11.206 27.171 11.601
83 H GLN 14 H GLN 14 10.006 28.446 4.014
84 HA GLN 14 HA GLN 14 12.259 29.792 2.751
85 HB2 GLN 14 HB2 GLN 14 10.749 27.527 1.562
86 HB3 GLN 14 HB3 GLN 14 11.132 28.876 0.502
87 HG2 GLN 14 HG2 GLN 14 13.356 28.446 0.521
88 HG3 GLN 14 HG3 GLN 14 13.330 27.797 2.160
89 HE21 GLN 14 HE21 GLN 14 12.303 27.082 -1.146
90 HE22 GLN 14 HE22 GLN 14 12.503 25.370 -1.026
91 H CYS 15 H CYS 15 11.473 31.205 0.904
92 HA CYS 15 HA CYS 15 9.397 32.875 1.859
93 HB2 CYS 15 HB2 CYS 15 11.395 33.569 0.453
94 HB3 CYS 15 HB3 CYS 15 10.544 32.899 -0.933
95 HG CYS 15 HG CYS 15 8.481 34.907 0.598
96 H VAL 16 H VAL 16 7.304 33.137 1.218
97 HA VAL 16 HA VAL 16 5.994 30.891 0.052
98 HB VAL 16 HB VAL 16 3.938 32.147 0.305
99 HG11 VAL 16 HG11 VAL 16 5.431 31.264 2.322
100 HG12 VAL 16 HG12 VAL 16 5.390 32.973 2.755
101 HG13 VAL 16 HG13 VAL 16 3.884 32.071 2.578
102 HG21 VAL 16 HG21 VAL 16 4.405 34.529 1.450
103 HG22 VAL 16 HG22 VAL 16 5.795 34.443 0.368
104 HG23 VAL 16 HG23 VAL 16 4.162 34.321 -0.285
105 H SER 17 H SER 17 7.196 33.912 -1.165
106 HA SER 17 HA SER 17 5.670 33.859 -3.599
107 HB2 SER 17 HB2 SER 17 6.280 36.030 -3.063
108 HB3 SER 17 HB3 SER 17 7.883 35.553 -2.503
109 HG SER 17 HG SER 17 8.572 35.405 -4.581
110 H CYS 18 H CYS 18 9.173 33.577 -2.972
111 HA CYS 18 HA CYS 18 9.376 31.920 -5.397
112 HB2 CYS 18 HB2 CYS 18 10.690 33.936 -5.588
113 HB3 CYS 18 HB3 CYS 18 11.439 33.649 -4.022
114 HG CYS 18 HG CYS 18 12.728 32.963 -6.803
115 H GLY 19 H GLY 19 11.501 32.299 -2.571
116 HA2 GLY 19 HA2 GLY 19 11.082 30.132 -1.069
117 HA3 GLY 19 HA3 GLY 19 11.847 29.412 -2.477
118 H ILE 20 H ILE 20 12.573 32.556 -1.042
119 HA ILE 20 HA ILE 20 15.337 32.246 -1.144
120 HB ILE 20 HB ILE 20 13.741 33.991 0.736
121 HG12 ILE 20 HG12 ILE 20 14.843 35.577 -1.243
122 HG13 ILE 20 HG13 ILE 20 14.355 34.130 -2.120
123 HG21 ILE 20 HG21 ILE 20 15.990 35.353 0.435
124 HG22 ILE 20 HG22 ILE 20 15.810 34.121 1.685
125 HG23 ILE 20 HG23 ILE 20 16.647 33.735 0.181
126 HD11 ILE 20 HD11 ILE 20 12.163 34.556 -1.862
127 HD12 ILE 20 HD12 ILE 20 12.371 35.235 -0.247
128 HD13 ILE 20 HD13 ILE 20 12.738 36.212 -1.668
129 H ASN 21 H ASN 21 16.895 31.660 0.341
130 HA ASN 21 HA ASN 21 16.115 29.688 2.264
131 HB2 ASN 21 HB2 ASN 21 18.605 29.664 2.774
132 HB3 ASN 21 HB3 ASN 21 18.155 29.281 1.114
133 HD21 ASN 21 HD21 ASN 21 20.188 31.053 3.013
134 HD22 ASN 21 HD22 ASN 21 20.687 32.240 1.861
135 H ILE 22 H ILE 22 14.734 31.285 3.465
136 HA ILE 22 HA ILE 22 16.314 32.882 5.365
137 HB ILE 22 HB ILE 22 14.094 33.948 5.924
138 HG12 ILE 22 HG12 ILE 22 13.182 32.763 3.306
139 HG13 ILE 22 HG13 ILE 22 12.795 32.021 4.855
140 HG21 ILE 22 HG21 ILE 22 14.284 34.695 3.162
141 HG22 ILE 22 HG22 ILE 22 14.804 35.580 4.597
142 HG23 ILE 22 HG23 ILE 22 15.895 34.427 3.828
143 HD11 ILE 22 HD11 ILE 22 11.331 33.665 5.430
144 HD12 ILE 22 HD12 ILE 22 12.164 34.895 4.479
145 HD13 ILE 22 HD13 ILE 22 11.151 33.696 3.676
146 H ALA 23 H ALA 23 16.109 30.048 5.632
147 HA ALA 23 HA ALA 23 14.115 29.384 7.567
148 HB1 ALA 23 HB1 ALA 23 14.983 27.639 6.179
149 HB2 ALA 23 HB2 ALA 23 16.632 27.963 6.715
150 HB3 ALA 23 HB3 ALA 23 15.452 27.297 7.844
151 H GLY 24 H GLY 24 14.106 30.109 9.589
152 HA2 GLY 24 HA2 GLY 24 14.843 30.516 11.736
153 HA3 GLY 24 HA3 GLY 24 16.389 29.810 11.288
154 H MET 25 H MET 25 15.259 32.340 9.275
155 HA MET 25 HA MET 25 17.372 34.076 10.297
156 HB2 MET 25 HB2 MET 25 15.740 34.106 7.761
157 HB3 MET 25 HB3 MET 25 16.829 35.413 8.204
158 HG2 MET 25 HG2 MET 25 17.697 32.550 7.916
159 HG3 MET 25 HG3 MET 25 17.764 33.732 6.612
160 HE1 MET 25 HE1 MET 25 20.140 35.457 6.424
161 HE2 MET 25 HE2 MET 25 21.320 34.228 6.877
162 HE3 MET 25 HE3 MET 25 19.870 33.770 5.985
163 H SER 26 H SER 26 16.675 36.553 9.831
164 HA SER 26 HA SER 26 14.505 37.018 11.712
165 HB2 SER 26 HB2 SER 26 16.601 38.828 10.505
166 HB3 SER 26 HB3 SER 26 15.306 39.421 11.545
167 HG SER 26 HG SER 26 17.226 38.958 12.714
168 H ALA 27 H ALA 27 13.447 36.026 9.445
169 HA ALA 27 HA ALA 27 12.537 38.272 7.811
170 HB1 ALA 27 HB1 ALA 27 12.457 36.794 6.157
171 HB2 ALA 27 HB2 ALA 27 13.083 35.572 7.264
172 HB3 ALA 27 HB3 ALA 27 11.342 35.775 7.068
173 H ALA 28 H ALA 28 10.113 38.008 7.127
174 HA ALA 28 HA ALA 28 8.552 38.526 9.428
175 HB1 ALA 28 HB1 ALA 28 7.433 37.897 6.711
176 HB2 ALA 28 HB2 ALA 28 6.764 38.948 7.960
177 HB3 ALA 28 HB3 ALA 28 8.212 39.436 7.079
178 H THR 29 H THR 29 8.286 36.877 10.839
179 HA THR 29 HA THR 29 7.248 34.327 9.795
180 HB THR 29 HB THR 29 7.929 34.064 12.539
181 HG1 THR 29 HG1 THR 29 10.102 34.702 12.501
182 HG21 THR 29 HG21 THR 29 8.250 32.120 11.424
183 HG22 THR 29 HG22 THR 29 8.716 32.932 9.930
184 HG23 THR 29 HG23 THR 29 9.890 32.741 11.232
185 H PHE 30 H PHE 30 5.109 34.197 9.935
186 HA PHE 30 HA PHE 30 3.819 35.053 12.432
187 HB2 PHE 30 HB2 PHE 30 1.835 35.744 10.974
188 HB3 PHE 30 HB3 PHE 30 3.236 36.810 10.965
189 HD1 PHE 30 HD1 PHE 30 4.774 36.806 9.025
190 HD2 PHE 30 HD2 PHE 30 1.109 34.641 9.012
191 HE1 PHE 30 HE1 PHE 30 4.883 36.643 6.572
192 HE2 PHE 30 HE2 PHE 30 1.213 34.473 6.559
193 HZ PHE 30 HZ PHE 30 3.101 35.476 5.336
194 H LYS 31 H LYS 31 1.588 34.102 12.647
195 HA LYS 31 HA LYS 31 1.671 31.307 11.753
196 HB2 LYS 31 HB2 LYS 31 1.583 31.486 14.133
197 HB3 LYS 31 HB3 LYS 31 0.275 32.659 14.061
198 HG2 LYS 31 HG2 LYS 31 -1.256 30.972 13.275
199 HG3 LYS 31 HG3 LYS 31 0.049 29.786 13.188
200 HD2 LYS 31 HD2 LYS 31 0.132 29.509 15.458
201 HD3 LYS 31 HD3 LYS 31 -0.428 31.150 15.787
202 HE2 LYS 31 HE2 LYS 31 -2.165 28.957 14.665
203 HE3 LYS 31 HE3 LYS 31 -2.065 29.360 16.378
204 HZ1 LYS 31 HZ1 LYS 31 -2.555 31.752 15.212
205 HZ2 LYS 31 HZ2 LYS 31 -3.478 30.697 14.265
206 HZ3 LYS 31 HZ3 LYS 31 -3.720 30.764 15.938
207 H CYS 32 H CYS 32 0.306 30.630 10.244
208 HA CYS 32 HA CYS 32 -1.591 32.339 9.036
209 HB2 CYS 32 HB2 CYS 32 -0.382 30.393 7.949
210 HB3 CYS 32 HB3 CYS 32 -1.507 29.331 8.788
211 HG CYS 32 HG CYS 32 -3.355 29.446 7.018
212 HA PRO 33 HA PRO 33 -4.940 31.760 11.890
213 HB2 PRO 33 HB2 PRO 33 -6.808 33.097 10.443
214 HB3 PRO 33 HB3 PRO 33 -5.543 33.915 11.368
215 HG2 PRO 33 HG2 PRO 33 -5.658 33.312 8.438
216 HG3 PRO 33 HG3 PRO 33 -5.135 34.796 9.255
217 HD2 PRO 33 HD2 PRO 33 -3.385 32.967 8.295
218 HD3 PRO 33 HD3 PRO 33 -3.049 33.943 9.739
219 H ASP 34 H ASP 34 -4.603 30.418 8.818
220 HA ASP 34 HA ASP 34 -7.227 29.153 8.790
221 HB2 ASP 34 HB2 ASP 34 -5.817 30.042 6.738
222 HB3 ASP 34 HB3 ASP 34 -5.075 28.448 6.840
223 H CYS 35 H CYS 35 -3.817 28.114 8.767
224 HA CYS 35 HA CYS 35 -4.686 25.554 9.935
225 HB2 CYS 35 HB2 CYS 35 -2.434 24.723 9.083
226 HB3 CYS 35 HB3 CYS 35 -3.646 25.089 7.861
227 HG CYS 35 HG CYS 35 -2.508 27.651 7.315
228 H GLY 36 H GLY 36 -2.160 28.043 10.055
229 HA2 GLY 36 HA2 GLY 36 -1.440 28.909 12.189
230 HA3 GLY 36 HA3 GLY 36 -1.728 27.319 12.879
231 H GLN 37 H GLN 37 -0.176 27.493 9.804
232 HA GLN 37 HA GLN 37 2.216 26.321 10.926
233 HB2 GLN 37 HB2 GLN 37 1.518 27.002 8.065
234 HB3 GLN 37 HB3 GLN 37 2.924 26.079 8.578
235 HG2 GLN 37 HG2 GLN 37 0.317 25.074 9.507
236 HG3 GLN 37 HG3 GLN 37 0.616 24.974 7.772
237 HE21 GLN 37 HE21 GLN 37 0.361 22.841 9.734
238 HE22 GLN 37 HE22 GLN 37 1.832 21.938 9.660
239 H GLU 38 H GLU 38 4.344 27.134 10.605
240 HA GLU 38 HA GLU 38 4.524 29.971 10.973
241 HB2 GLU 38 HB2 GLU 38 6.290 27.655 11.245
242 HB3 GLU 38 HB3 GLU 38 7.112 29.080 10.627
243 HG2 GLU 38 HG2 GLU 38 7.381 29.537 12.805
244 HG3 GLU 38 HG3 GLU 38 5.749 30.186 12.657
245 H ILE 39 H ILE 39 4.426 31.355 9.340
246 HA ILE 39 HA ILE 39 5.472 30.547 6.717
247 HB ILE 39 HB ILE 39 3.753 32.953 7.301
248 HG12 ILE 39 HG12 ILE 39 2.901 30.181 6.436
249 HG13 ILE 39 HG13 ILE 39 2.549 30.935 7.987
250 HG21 ILE 39 HG21 ILE 39 3.797 31.549 4.689
251 HG22 ILE 39 HG22 ILE 39 3.609 33.265 5.052
252 HG23 ILE 39 HG23 ILE 39 5.205 32.518 5.124
253 HD11 ILE 39 HD11 ILE 39 1.619 32.038 5.352
254 HD12 ILE 39 HD12 ILE 39 0.668 30.943 6.354
255 HD13 ILE 39 HD13 ILE 39 1.117 32.534 6.968
256 H SER 40 H SER 40 7.494 31.163 6.350
257 HA SER 40 HA SER 40 8.411 33.736 7.445
258 HB2 SER 40 HB2 SER 40 10.694 32.845 7.219
259 HB3 SER 40 HB3 SER 40 9.697 31.790 8.220
260 HG SER 40 HG SER 40 10.336 30.302 6.880
261 H ARG 41 H ARG 41 8.575 35.350 6.051
262 HA ARG 41 HA ARG 41 9.122 34.721 3.224
263 HB2 ARG 41 HB2 ARG 41 7.381 36.871 4.427
264 HB3 ARG 41 HB3 ARG 41 7.906 36.897 2.749
265 HG2 ARG 41 HG2 ARG 41 6.388 35.384 2.136
266 HG3 ARG 41 HG3 ARG 41 6.708 34.362 3.538
267 HD2 ARG 41 HD2 ARG 41 4.680 34.994 4.238
268 HD3 ARG 41 HD3 ARG 41 5.457 36.519 4.662
269 HE ARG 41 HE ARG 41 3.660 36.031 2.446
270 HH11 ARG 41 HH11 ARG 41 6.024 38.149 3.875
271 HH12 ARG 41 HH12 ARG 41 5.493 39.546 3.000
272 HH21 ARG 41 HH21 ARG 41 2.951 37.863 1.287
273 HH22 ARG 41 HH22 ARG 41 3.744 39.383 1.529
274 H CYS 42 H CYS 42 10.598 35.982 2.123
275 HA CYS 42 HA CYS 42 12.566 37.299 3.755
276 HB2 CYS 42 HB2 CYS 42 12.938 35.840 1.637
277 HB3 CYS 42 HB3 CYS 42 12.572 37.316 0.751
278 HG CYS 42 HG CYS 42 14.771 38.669 1.356
279 H SER 43 H SER 43 13.417 39.457 3.216
280 HA SER 43 HA SER 43 11.544 41.455 3.484
281 HB2 SER 43 HB2 SER 43 14.303 41.651 2.253
282 HB3 SER 43 HB3 SER 43 13.342 43.027 2.794
283 HG SER 43 HG SER 43 13.313 41.655 4.871
284 H LYS 44 H LYS 44 12.961 40.166 0.519
285 HA LYS 44 HA LYS 44 12.015 42.003 -1.322
286 HB2 LYS 44 HB2 LYS 44 12.346 39.013 -1.612
287 HB3 LYS 44 HB3 LYS 44 12.072 40.112 -2.958
288 HG2 LYS 44 HG2 LYS 44 14.390 40.434 -1.080
289 HG3 LYS 44 HG3 LYS 44 14.464 39.402 -2.511
290 HD2 LYS 44 HD2 LYS 44 13.911 41.320 -3.924
291 HD3 LYS 44 HD3 LYS 44 13.822 42.352 -2.495
292 HE2 LYS 44 HE2 LYS 44 16.177 41.939 -2.035
293 HE3 LYS 44 HE3 LYS 44 16.273 40.856 -3.422
294 HZ1 LYS 44 HZ1 LYS 44 16.098 43.780 -3.355
295 HZ2 LYS 44 HZ2 LYS 44 17.049 42.779 -4.334
296 HZ3 LYS 44 HZ3 LYS 44 15.401 42.969 -4.666
297 H CYS 45 H CYS 45 10.332 39.370 0.273
298 HA CYS 45 HA CYS 45 8.052 39.218 -1.316
299 HB2 CYS 45 HB2 CYS 45 8.894 37.952 0.931
300 HB3 CYS 45 HB3 CYS 45 7.622 38.969 1.597
301 HG CYS 45 HG CYS 45 6.823 37.216 -1.169
302 H ARG 46 H ARG 46 9.079 41.674 0.870
303 HA ARG 46 HA ARG 46 6.754 42.849 1.728
304 HB2 ARG 46 HB2 ARG 46 9.369 44.057 0.855
305 HB3 ARG 46 HB3 ARG 46 8.057 45.052 1.471
306 HG2 ARG 46 HG2 ARG 46 8.101 43.870 3.578
307 HG3 ARG 46 HG3 ARG 46 9.340 42.773 2.963
308 HD2 ARG 46 HD2 ARG 46 10.320 44.503 4.376
309 HD3 ARG 46 HD3 ARG 46 10.882 44.649 2.711
310 HE ARG 46 HE ARG 46 8.668 46.306 2.982
311 HH11 ARG 46 HH11 ARG 46 11.890 46.038 4.273
312 HH12 ARG 46 HH12 ARG 46 12.067 47.742 4.537
313 HH21 ARG 46 HH21 ARG 46 8.888 48.551 3.325
314 HH22 ARG 46 HH22 ARG 46 10.358 49.170 3.998
315 H LYS 47 H LYS 47 8.203 42.983 -1.469
316 HA LYS 47 HA LYS 47 6.381 44.965 -2.467
317 HB2 LYS 47 HB2 LYS 47 8.741 44.460 -3.329
318 HB3 LYS 47 HB3 LYS 47 8.026 43.072 -4.139
319 HG2 LYS 47 HG2 LYS 47 8.051 44.711 -5.778
320 HG3 LYS 47 HG3 LYS 47 6.396 44.767 -5.169
321 HD2 LYS 47 HD2 LYS 47 6.973 47.009 -5.244
322 HD3 LYS 47 HD3 LYS 47 7.319 46.588 -3.565
323 HE2 LYS 47 HE2 LYS 47 9.180 47.828 -4.300
324 HE3 LYS 47 HE3 LYS 47 9.700 46.144 -4.320
325 HZ1 LYS 47 HZ1 LYS 47 9.092 46.157 -6.744
326 HZ2 LYS 47 HZ2 LYS 47 8.949 47.839 -6.630
327 HZ3 LYS 47 HZ3 LYS 47 10.437 47.095 -6.326
328 H GLN 48 H GLN 48 6.585 41.454 -2.497
329 HA GLN 48 HA GLN 48 4.318 41.162 -4.257
330 HB2 GLN 48 HB2 GLN 48 6.170 39.312 -2.830
331 HB3 GLN 48 HB3 GLN 48 4.605 38.690 -3.336
332 HG2 GLN 48 HG2 GLN 48 5.956 38.155 -5.120
333 HG3 GLN 48 HG3 GLN 48 5.223 39.671 -5.642
334 HE21 GLN 48 HE21 GLN 48 8.100 38.315 -4.116
335 HE22 GLN 48 HE22 GLN 48 9.198 39.511 -4.708
336 H SER 49 H SER 49 4.560 42.114 -1.152
337 HA SER 49 HA SER 49 2.777 40.578 0.317
338 HB2 SER 49 HB2 SER 49 3.995 42.240 1.486
339 HB3 SER 49 HB3 SER 49 3.436 43.520 0.410
340 HG SER 49 HG SER 49 2.410 43.092 2.647
341 H ASN 50 H ASN 50 2.179 42.858 -2.230
342 HA ASN 50 HA ASN 50 -0.440 43.599 -1.794
343 HB2 ASN 50 HB2 ASN 50 0.956 44.447 -3.647
344 HB3 ASN 50 HB3 ASN 50 0.811 42.890 -4.457
345 HD21 ASN 50 HD21 ASN 50 -0.868 42.552 -5.757
346 HD22 ASN 50 HD22 ASN 50 -2.225 43.608 -5.926
347 H LEU 51 H LEU 51 0.827 40.525 -2.853
348 HA LEU 51 HA LEU 51 -1.755 39.294 -2.418
349 HB2 LEU 51 HB2 LEU 51 -1.393 40.109 -4.914
350 HB3 LEU 51 HB3 LEU 51 -0.486 38.601 -5.015
351 HG LEU 51 HG LEU 51 -2.501 37.366 -4.325
352 HD11 LEU 51 HD11 LEU 51 -3.659 38.981 -3.015
353 HD12 LEU 51 HD12 LEU 51 -3.757 40.102 -4.373
354 HD13 LEU 51 HD13 LEU 51 -4.678 38.598 -4.403
355 HD21 LEU 51 HD21 LEU 51 -1.888 38.277 -6.776
356 HD22 LEU 51 HD22 LEU 51 -3.276 37.242 -6.443
357 HD23 LEU 51 HD23 LEU 51 -3.491 38.987 -6.585
358 H TYR 52 H TYR 52 -1.282 37.648 -1.133
359 HA TYR 52 HA TYR 52 1.075 36.001 -1.768
360 HB2 TYR 52 HB2 TYR 52 1.667 35.810 0.509
361 HB3 TYR 52 HB3 TYR 52 1.328 37.521 0.272
362 HD1 TYR 52 HD1 TYR 52 -1.221 38.175 0.742
363 HD2 TYR 52 HD2 TYR 52 0.781 34.797 2.381
364 HE1 TYR 52 HE1 TYR 52 -2.847 38.114 2.586
365 HE2 TYR 52 HE2 TYR 52 -0.840 34.726 4.229
366 HH TYR 52 HH TYR 52 -2.474 35.896 5.291
367 H GLU 53 H GLU 53 0.924 33.837 -0.512
368 HA GLU 53 HA GLU 53 -1.743 32.856 -0.040
369 HB2 GLU 53 HB2 GLU 53 -1.738 32.702 -2.447
370 HB3 GLU 53 HB3 GLU 53 -0.166 31.916 -2.438
371 HG2 GLU 53 HG2 GLU 53 -1.204 30.017 -1.201
372 HG3 GLU 53 HG3 GLU 53 -2.770 30.788 -1.446
373 H CYS 54 H CYS 54 -1.573 31.529 1.631
374 HA CYS 54 HA CYS 54 0.846 30.643 2.705
375 HB2 CYS 54 HB2 CYS 54 -1.268 30.858 3.983
376 HB3 CYS 54 HB3 CYS 54 -1.900 29.450 3.138
377 HG CYS 54 HG CYS 54 1.030 28.983 4.723
378 HA PRO 55 HA PRO 55 1.596 27.339 -0.233
379 HB2 PRO 55 HB2 PRO 55 4.072 26.744 0.707
380 HB3 PRO 55 HB3 PRO 55 3.754 28.120 -0.357
381 HG2 PRO 55 HG2 PRO 55 4.083 28.063 2.618
382 HG3 PRO 55 HG3 PRO 55 4.736 29.218 1.442
383 HD2 PRO 55 HD2 PRO 55 2.546 29.748 2.943
384 HD3 PRO 55 HD3 PRO 55 2.754 30.386 1.299
385 H ASP 56 H ASP 56 1.233 27.259 3.141
386 HA ASP 56 HA ASP 56 1.790 24.446 3.471
387 HB2 ASP 56 HB2 ASP 56 1.440 26.686 5.190
388 HB3 ASP 56 HB3 ASP 56 0.238 25.477 5.635
389 H CYS 57 H CYS 57 -1.136 26.473 3.684
390 HA CYS 57 HA CYS 57 -2.732 24.061 3.131
391 HB2 CYS 57 HB2 CYS 57 -4.608 25.223 4.230
392 HB3 CYS 57 HB3 CYS 57 -3.232 25.035 5.311
393 HG CYS 57 HG CYS 57 -4.881 27.690 4.858
394 H GLY 58 H GLY 58 -1.392 26.005 1.253
395 HA2 GLY 58 HA2 GLY 58 -1.884 27.219 -0.647
396 HA3 GLY 58 HA3 GLY 58 -3.116 25.983 -0.853
397 H PHE 59 H PHE 59 -2.909 28.511 1.620
398 HA PHE 59 HA PHE 59 -5.612 29.347 0.917
399 HB2 PHE 59 HB2 PHE 59 -5.280 28.984 3.257
400 HB3 PHE 59 HB3 PHE 59 -3.820 29.967 3.266
401 HD1 PHE 59 HD1 PHE 59 -7.181 30.642 1.818
402 HD2 PHE 59 HD2 PHE 59 -4.232 31.740 4.684
403 HE1 PHE 59 HE1 PHE 59 -8.518 32.614 2.433
404 HE2 PHE 59 HE2 PHE 59 -5.564 33.713 5.304
405 HZ PHE 59 HZ PHE 59 -7.711 34.152 4.179
406 H MET 60 H MET 60 -5.652 30.733 -0.749
407 HA MET 60 HA MET 60 -3.579 32.669 -1.195
408 HB2 MET 60 HB2 MET 60 -6.286 32.419 -2.518
409 HB3 MET 60 HB3 MET 60 -4.933 33.381 -3.099
410 HG2 MET 60 HG2 MET 60 -3.862 31.603 -3.964
411 HG3 MET 60 HG3 MET 60 -4.372 30.527 -2.666
412 HE1 MET 60 HE1 MET 60 -6.279 29.455 -2.370
413 HE2 MET 60 HE2 MET 60 -7.812 29.929 -3.101
414 HE3 MET 60 HE3 MET 60 -6.932 28.533 -3.724
415 H GLY 61 H GLY 61 -3.496 34.734 -0.548
416 HA2 GLY 61 HA2 GLY 61 -5.952 36.047 0.369
417 HA3 GLY 61 HA3 GLY 61 -4.616 35.912 1.502
418 HA PRO 62 HA PRO 62 -4.297 39.786 -1.203
419 HB2 PRO 62 HB2 PRO 62 -4.774 41.613 0.748
420 HB3 PRO 62 HB3 PRO 62 -6.057 40.914 -0.248
421 HG2 PRO 62 HG2 PRO 62 -5.195 40.177 2.523
422 HG3 PRO 62 HG3 PRO 62 -6.834 40.350 1.870
423 HD2 PRO 62 HD2 PRO 62 -5.644 37.940 2.199
424 HD3 PRO 62 HD3 PRO 62 -6.800 38.263 0.892
Start of MODEL 10
1 H1 GLY 1 H GLY 1 19.979 7.888 -2.647
2 HA2 GLY 1 HA2 GLY 1 22.515 7.348 -1.574
3 HA3 GLY 1 HA3 GLY 1 22.283 9.090 -1.573
4 H ALA 2 H ALA 2 20.022 6.413 -0.960
5 HA ALA 2 HA ALA 2 18.562 6.041 0.751
6 HB1 ALA 2 HB1 ALA 2 20.816 5.582 1.806
7 HB2 ALA 2 HB2 ALA 2 20.692 7.180 2.543
8 HB3 ALA 2 HB3 ALA 2 19.494 5.941 2.918
9 H MET 3 H MET 3 18.130 8.460 -0.573
10 HA MET 3 HA MET 3 17.652 10.481 1.464
11 HB2 MET 3 HB2 MET 3 17.080 11.950 -0.331
12 HB3 MET 3 HB3 MET 3 18.513 11.057 -0.823
13 HG2 MET 3 HG2 MET 3 17.072 9.534 -2.125
14 HG3 MET 3 HG3 MET 3 15.683 10.527 -1.693
15 HE1 MET 3 HE1 MET 3 18.050 10.672 -5.239
16 HE2 MET 3 HE2 MET 3 17.358 9.434 -4.191
17 HE3 MET 3 HE3 MET 3 16.303 10.434 -5.190
18 H GLY 4 H GLY 4 15.675 11.089 2.233
19 HA2 GLY 4 HA2 GLY 4 13.321 9.656 1.183
20 HA3 GLY 4 HA3 GLY 4 13.649 9.688 2.909
21 H SER 5 H SER 5 13.472 12.032 0.223
22 HA SER 5 HA SER 5 12.281 13.980 2.035
23 HB2 SER 5 HB2 SER 5 14.024 14.843 0.619
24 HB3 SER 5 HB3 SER 5 13.249 14.186 -0.823
25 HG SER 5 HG SER 5 12.488 16.172 -0.883
26 H GLU 6 H GLU 6 11.487 12.146 -0.871
27 HA GLU 6 HA GLU 6 8.907 13.348 -1.198
28 HB2 GLU 6 HB2 GLU 6 8.547 11.605 -2.891
29 HB3 GLU 6 HB3 GLU 6 10.091 12.414 -3.114
30 HG2 GLU 6 HG2 GLU 6 11.038 10.443 -1.724
31 HG3 GLU 6 HG3 GLU 6 9.531 9.641 -2.165
32 H SER 7 H SER 7 10.158 10.432 0.320
33 HA SER 7 HA SER 7 7.723 9.119 0.775
34 HB2 SER 7 HB2 SER 7 10.096 8.207 1.075
35 HB3 SER 7 HB3 SER 7 10.083 8.996 2.652
36 HG SER 7 HG SER 7 9.156 6.635 2.102
37 H GLU 8 H GLU 8 9.594 11.246 2.939
38 HA GLU 8 HA GLU 8 7.098 12.089 4.196
39 HB2 GLU 8 HB2 GLU 8 9.446 10.952 5.723
40 HB3 GLU 8 HB3 GLU 8 8.102 11.810 6.464
41 HG2 GLU 8 HG2 GLU 8 6.658 10.011 5.244
42 HG3 GLU 8 HG3 GLU 8 8.169 9.104 5.226
43 H GLN 9 H GLN 9 7.528 13.928 5.770
44 HA GLN 9 HA GLN 9 9.869 15.516 4.994
45 HB2 GLN 9 HB2 GLN 9 7.090 16.684 5.133
46 HB3 GLN 9 HB3 GLN 9 8.560 17.481 4.589
47 HG2 GLN 9 HG2 GLN 9 7.948 16.944 2.530
48 HG3 GLN 9 HG3 GLN 9 8.361 15.279 2.937
49 HE21 GLN 9 HE21 GLN 9 5.670 17.496 3.619
50 HE22 GLN 9 HE22 GLN 9 4.422 16.388 3.173
51 H ARG 10 H ARG 10 9.474 17.780 6.376
52 HA ARG 10 HA ARG 10 8.963 16.933 9.148
53 HB2 ARG 10 HB2 ARG 10 11.275 18.614 8.162
54 HB3 ARG 10 HB3 ARG 10 10.887 18.335 9.854
55 HG2 ARG 10 HG2 ARG 10 11.729 16.267 7.836
56 HG3 ARG 10 HG3 ARG 10 12.683 16.885 9.186
57 HD2 ARG 10 HD2 ARG 10 10.485 16.053 10.500
58 HD3 ARG 10 HD3 ARG 10 10.485 14.916 9.153
59 HE ARG 10 HE ARG 10 12.254 13.861 10.126
60 HH11 ARG 10 HH11 ARG 10 12.079 17.107 11.373
61 HH12 ARG 10 HH12 ARG 10 13.360 16.875 12.517
62 HH21 ARG 10 HH21 ARG 10 13.941 13.544 11.627
63 HH22 ARG 10 HH22 ARG 10 14.419 14.849 12.660
64 H HIS 11 H HIS 11 9.998 19.992 7.661
65 HA HIS 11 HA HIS 11 7.654 21.277 8.892
66 HB2 HIS 11 HB2 HIS 11 10.425 22.263 8.280
67 HB3 HIS 11 HB3 HIS 11 9.094 23.401 8.474
68 HD1 HIS 11 HD1 HIS 11 11.467 23.394 10.433
69 HD2 HIS 11 HD2 HIS 11 7.925 21.313 11.049
70 HE1 HIS 11 HE1 HIS 11 11.310 23.056 12.920
71 H ALA 12 H ALA 12 6.089 21.912 7.577
72 HA ALA 12 HA ALA 12 6.571 22.030 4.708
73 HB1 ALA 12 HB1 ALA 12 4.287 21.813 4.413
74 HB2 ALA 12 HB2 ALA 12 4.562 20.901 5.897
75 HB3 ALA 12 HB3 ALA 12 3.911 22.538 5.976
76 H HIS 13 H HIS 13 7.888 24.065 5.992
77 HA HIS 13 HA HIS 13 6.228 26.456 5.725
78 HB2 HIS 13 HB2 HIS 13 8.782 25.800 7.078
79 HB3 HIS 13 HB3 HIS 13 8.641 27.432 6.431
80 HD1 HIS 13 HD1 HIS 13 8.648 28.316 8.900
81 HD2 HIS 13 HD2 HIS 13 5.400 25.924 7.906
82 HE1 HIS 13 HE1 HIS 13 6.962 28.676 10.732
83 H GLN 14 H GLN 14 6.085 27.345 3.779
84 HA GLN 14 HA GLN 14 8.520 27.603 2.166
85 HB2 GLN 14 HB2 GLN 14 5.994 26.242 1.412
86 HB3 GLN 14 HB3 GLN 14 6.728 27.273 0.191
87 HG2 GLN 14 HG2 GLN 14 8.587 25.946 -0.014
88 HG3 GLN 14 HG3 GLN 14 8.419 25.274 1.607
89 HE21 GLN 14 HE21 GLN 14 8.869 23.309 0.237
90 HE22 GLN 14 HE22 GLN 14 7.497 22.470 -0.393
91 H CYS 15 H CYS 15 8.188 29.198 0.344
92 HA CYS 15 HA CYS 15 7.188 31.629 1.432
93 HB2 CYS 15 HB2 CYS 15 9.152 31.331 -0.182
94 HB3 CYS 15 HB3 CYS 15 7.943 31.188 -1.453
95 HG CYS 15 HG CYS 15 8.785 33.747 -1.710
96 H VAL 16 H VAL 16 5.362 32.767 0.981
97 HA VAL 16 HA VAL 16 3.125 31.321 -0.056
98 HB VAL 16 HB VAL 16 1.820 33.314 0.411
99 HG11 VAL 16 HG11 VAL 16 2.735 31.754 2.253
100 HG12 VAL 16 HG12 VAL 16 3.762 33.122 2.683
101 HG13 VAL 16 HG13 VAL 16 2.007 33.288 2.728
102 HG21 VAL 16 HG21 VAL 16 4.514 34.613 0.671
103 HG22 VAL 16 HG22 VAL 16 3.138 35.107 -0.315
104 HG23 VAL 16 HG23 VAL 16 3.080 35.296 1.438
105 H SER 17 H SER 17 5.401 33.585 -1.354
106 HA SER 17 HA SER 17 3.796 34.348 -3.612
107 HB2 SER 17 HB2 SER 17 5.617 35.672 -4.281
108 HB3 SER 17 HB3 SER 17 5.731 35.675 -2.521
109 HG SER 17 HG SER 17 7.754 35.243 -3.396
110 H CYS 18 H CYS 18 6.544 32.169 -3.076
111 HA CYS 18 HA CYS 18 5.863 30.834 -5.610
112 HB2 CYS 18 HB2 CYS 18 8.582 31.553 -4.527
113 HB3 CYS 18 HB3 CYS 18 8.366 30.287 -5.730
114 HG CYS 18 HG CYS 18 6.919 33.207 -6.519
115 H GLY 19 H GLY 19 8.236 30.131 -3.057
116 HA2 GLY 19 HA2 GLY 19 7.075 28.340 -1.461
117 HA3 GLY 19 HA3 GLY 19 7.245 27.396 -2.934
118 H ILE 20 H ILE 20 9.493 29.817 -1.681
119 HA ILE 20 HA ILE 20 11.774 28.273 -2.123
120 HB ILE 20 HB ILE 20 11.399 30.528 -0.148
121 HG12 ILE 20 HG12 ILE 20 12.879 31.448 -2.294
122 HG13 ILE 20 HG13 ILE 20 11.687 30.400 -3.056
123 HG21 ILE 20 HG21 ILE 20 13.903 29.260 -1.245
124 HG22 ILE 20 HG22 ILE 20 13.863 30.781 -0.352
125 HG23 ILE 20 HG23 ILE 20 13.366 29.283 0.435
126 HD11 ILE 20 HD11 ILE 20 9.967 31.772 -2.559
127 HD12 ILE 20 HD12 ILE 20 10.681 32.300 -1.035
128 HD13 ILE 20 HD13 ILE 20 11.255 32.977 -2.558
129 H ASN 21 H ASN 21 13.045 26.982 -0.833
130 HA ASN 21 HA ASN 21 11.696 25.602 1.291
131 HB2 ASN 21 HB2 ASN 21 13.873 24.318 1.424
132 HB3 ASN 21 HB3 ASN 21 13.066 24.273 -0.141
133 HD21 ASN 21 HD21 ASN 21 15.936 24.851 1.458
134 HD22 ASN 21 HD22 ASN 21 16.803 25.617 0.176
135 H ILE 22 H ILE 22 11.597 27.869 2.400
136 HA ILE 22 HA ILE 22 14.004 28.361 3.997
137 HB ILE 22 HB ILE 22 12.807 30.410 4.760
138 HG12 ILE 22 HG12 ILE 22 10.797 29.649 2.630
139 HG13 ILE 22 HG13 ILE 22 10.510 29.540 4.363
140 HG21 ILE 22 HG21 ILE 22 13.824 31.474 3.093
141 HG22 ILE 22 HG22 ILE 22 14.084 29.899 2.342
142 HG23 ILE 22 HG23 ILE 22 12.668 30.858 1.911
143 HD11 ILE 22 HD11 ILE 22 9.921 31.667 4.448
144 HD12 ILE 22 HD12 ILE 22 11.423 32.168 3.671
145 HD13 ILE 22 HD13 ILE 22 10.030 31.716 2.689
146 H ALA 23 H ALA 23 12.474 26.008 4.509
147 HA ALA 23 HA ALA 23 10.668 26.298 6.647
148 HB1 ALA 23 HB1 ALA 23 10.466 24.199 5.848
149 HB2 ALA 23 HB2 ALA 23 12.172 24.083 5.416
150 HB3 ALA 23 HB3 ALA 23 11.666 23.836 7.087
151 H GLY 24 H GLY 24 11.061 27.098 8.599
152 HA2 GLY 24 HA2 GLY 24 12.073 27.464 10.631
153 HA3 GLY 24 HA3 GLY 24 13.131 26.109 10.268
154 H MET 25 H MET 25 13.071 28.624 7.944
155 HA MET 25 HA MET 25 15.819 29.289 8.566
156 HB2 MET 25 HB2 MET 25 13.959 29.832 6.291
157 HB3 MET 25 HB3 MET 25 15.374 30.856 6.492
158 HG2 MET 25 HG2 MET 25 15.481 27.857 6.301
159 HG3 MET 25 HG3 MET 25 15.679 28.946 4.930
160 HE1 MET 25 HE1 MET 25 18.069 28.193 8.563
161 HE2 MET 25 HE2 MET 25 16.811 27.233 7.784
162 HE3 MET 25 HE3 MET 25 18.498 27.022 7.315
163 H SER 26 H SER 26 16.285 31.792 8.076
164 HA SER 26 HA SER 26 14.849 33.208 10.181
165 HB2 SER 26 HB2 SER 26 17.458 33.079 9.819
166 HB3 SER 26 HB3 SER 26 17.157 34.404 8.694
167 HG SER 26 HG SER 26 16.658 34.305 11.474
168 H ALA 27 H ALA 27 13.266 32.845 7.979
169 HA ALA 27 HA ALA 27 13.349 35.320 6.431
170 HB1 ALA 27 HB1 ALA 27 11.088 33.779 5.730
171 HB2 ALA 27 HB2 ALA 27 12.571 34.023 4.809
172 HB3 ALA 27 HB3 ALA 27 12.441 32.665 5.927
173 H ALA 28 H ALA 28 11.214 36.432 6.056
174 HA ALA 28 HA ALA 28 10.209 37.451 8.450
175 HB1 ALA 28 HB1 ALA 28 9.269 38.949 7.101
176 HB2 ALA 28 HB2 ALA 28 9.946 38.044 5.747
177 HB3 ALA 28 HB3 ALA 28 8.303 37.713 6.295
178 H THR 29 H THR 29 9.342 36.056 9.897
179 HA THR 29 HA THR 29 7.159 34.304 8.991
180 HB THR 29 HB THR 29 8.271 34.012 11.732
181 HG1 THR 29 HG1 THR 29 9.679 33.364 9.347
182 HG21 THR 29 HG21 THR 29 7.910 31.764 9.828
183 HG22 THR 29 HG22 THR 29 7.527 31.865 11.547
184 HG23 THR 29 HG23 THR 29 6.459 32.614 10.360
185 H PHE 30 H PHE 30 5.139 34.502 9.803
186 HA PHE 30 HA PHE 30 4.638 36.132 12.149
187 HB2 PHE 30 HB2 PHE 30 3.010 37.585 10.971
188 HB3 PHE 30 HB3 PHE 30 4.661 37.825 10.408
189 HD1 PHE 30 HD1 PHE 30 5.367 36.698 8.254
190 HD2 PHE 30 HD2 PHE 30 1.305 37.018 9.485
191 HE1 PHE 30 HE1 PHE 30 4.637 36.293 5.939
192 HE2 PHE 30 HE2 PHE 30 0.569 36.612 7.173
193 HZ PHE 30 HZ PHE 30 2.236 36.248 5.396
194 H LYS 31 H LYS 31 2.121 36.285 12.443
195 HA LYS 31 HA LYS 31 1.031 33.607 11.873
196 HB2 LYS 31 HB2 LYS 31 1.374 33.831 14.226
197 HB3 LYS 31 HB3 LYS 31 0.646 35.432 14.245
198 HG2 LYS 31 HG2 LYS 31 -1.528 34.498 13.783
199 HG3 LYS 31 HG3 LYS 31 -0.831 32.885 13.612
200 HD2 LYS 31 HD2 LYS 31 -0.605 32.600 15.854
201 HD3 LYS 31 HD3 LYS 31 -0.278 34.310 16.147
202 HE2 LYS 31 HE2 LYS 31 -2.843 34.455 15.350
203 HE3 LYS 31 HE3 LYS 31 -2.843 32.845 16.070
204 HZ1 LYS 31 HZ1 LYS 31 -2.938 35.324 17.367
205 HZ2 LYS 31 HZ2 LYS 31 -2.951 33.779 18.057
206 HZ3 LYS 31 HZ3 LYS 31 -1.482 34.575 17.795
207 H CYS 32 H CYS 32 -0.713 33.513 10.626
208 HA CYS 32 HA CYS 32 -1.923 35.824 9.544
209 HB2 CYS 32 HB2 CYS 32 -1.781 33.539 8.463
210 HB3 CYS 32 HB3 CYS 32 -3.087 33.038 9.530
211 HG CYS 32 HG CYS 32 -4.844 33.629 7.757
212 HA PRO 33 HA PRO 33 -4.736 36.719 12.861
213 HB2 PRO 33 HB2 PRO 33 -6.090 38.695 11.583
214 HB3 PRO 33 HB3 PRO 33 -4.477 38.924 12.270
215 HG2 PRO 33 HG2 PRO 33 -5.270 38.392 9.432
216 HG3 PRO 33 HG3 PRO 33 -4.069 39.534 10.063
217 HD2 PRO 33 HD2 PRO 33 -3.386 37.134 9.013
218 HD3 PRO 33 HD3 PRO 33 -2.466 37.899 10.326
219 H ASP 34 H ASP 34 -5.452 35.349 9.859
220 HA ASP 34 HA ASP 34 -8.332 35.287 10.262
221 HB2 ASP 34 HB2 ASP 34 -7.071 35.494 7.990
222 HB3 ASP 34 HB3 ASP 34 -6.891 33.747 8.127
223 H CYS 35 H CYS 35 -5.701 32.907 9.917
224 HA CYS 35 HA CYS 35 -7.373 30.986 11.397
225 HB2 CYS 35 HB2 CYS 35 -5.829 29.257 10.329
226 HB3 CYS 35 HB3 CYS 35 -6.967 30.066 9.258
227 HG CYS 35 HG CYS 35 -4.587 29.752 7.865
228 H GLY 36 H GLY 36 -4.049 32.151 10.959
229 HA2 GLY 36 HA2 GLY 36 -2.682 32.668 12.868
230 HA3 GLY 36 HA3 GLY 36 -3.529 31.415 13.762
231 H GLN 37 H GLN 37 -2.595 30.696 10.529
232 HA GLN 37 HA GLN 37 -0.806 28.637 11.483
233 HB2 GLN 37 HB2 GLN 37 -1.540 29.386 8.647
234 HB3 GLN 37 HB3 GLN 37 -0.713 27.918 9.153
235 HG2 GLN 37 HG2 GLN 37 -3.292 28.393 10.465
236 HG3 GLN 37 HG3 GLN 37 -3.376 28.124 8.725
237 HE21 GLN 37 HE21 GLN 37 -1.491 26.796 11.428
238 HE22 GLN 37 HE22 GLN 37 -1.791 25.138 11.044
239 H GLU 38 H GLU 38 1.321 28.832 11.679
240 HA GLU 38 HA GLU 38 2.745 31.164 11.323
241 HB2 GLU 38 HB2 GLU 38 3.347 28.853 12.469
242 HB3 GLU 38 HB3 GLU 38 4.171 28.571 10.942
243 HG2 GLU 38 HG2 GLU 38 5.691 30.272 11.292
244 HG3 GLU 38 HG3 GLU 38 4.651 31.101 12.450
245 H ILE 39 H ILE 39 3.063 32.280 9.521
246 HA ILE 39 HA ILE 39 3.343 30.852 6.975
247 HB ILE 39 HB ILE 39 3.065 33.831 7.302
248 HG12 ILE 39 HG12 ILE 39 0.866 31.767 7.054
249 HG13 ILE 39 HG13 ILE 39 1.170 32.804 8.443
250 HG21 ILE 39 HG21 ILE 39 3.577 32.219 5.108
251 HG22 ILE 39 HG22 ILE 39 1.856 32.583 4.986
252 HG23 ILE 39 HG23 ILE 39 3.031 33.895 5.076
253 HD11 ILE 39 HD11 ILE 39 0.881 34.466 6.174
254 HD12 ILE 39 HD12 ILE 39 -0.445 33.304 6.173
255 HD13 ILE 39 HD13 ILE 39 -0.171 34.329 7.582
256 H SER 40 H SER 40 5.173 30.891 5.794
257 HA SER 40 HA SER 40 7.448 32.406 6.897
258 HB2 SER 40 HB2 SER 40 8.914 30.674 6.147
259 HB3 SER 40 HB3 SER 40 7.575 29.875 6.970
260 HG SER 40 HG SER 40 7.064 28.935 5.166
261 H ARG 41 H ARG 41 7.928 34.123 5.710
262 HA ARG 41 HA ARG 41 7.617 33.945 2.785
263 HB2 ARG 41 HB2 ARG 41 7.324 36.302 4.646
264 HB3 ARG 41 HB3 ARG 41 7.467 36.476 2.902
265 HG2 ARG 41 HG2 ARG 41 5.455 34.984 2.694
266 HG3 ARG 41 HG3 ARG 41 5.268 35.128 4.443
267 HD2 ARG 41 HD2 ARG 41 5.079 37.281 2.356
268 HD3 ARG 41 HD3 ARG 41 3.853 36.766 3.515
269 HE ARG 41 HE ARG 41 5.893 37.655 5.075
270 HH11 ARG 41 HH11 ARG 41 4.065 39.028 2.450
271 HH12 ARG 41 HH12 ARG 41 4.217 40.656 3.023
272 HH21 ARG 41 HH21 ARG 41 6.100 39.793 5.841
273 HH22 ARG 41 HH22 ARG 41 5.376 41.090 4.952
274 H CYS 42 H CYS 42 9.464 33.885 1.707
275 HA CYS 42 HA CYS 42 11.985 34.287 2.913
276 HB2 CYS 42 HB2 CYS 42 11.268 32.931 0.769
277 HB3 CYS 42 HB3 CYS 42 11.649 34.438 -0.055
278 HG CYS 42 HG CYS 42 13.987 33.236 2.065
279 H SER 43 H SER 43 13.650 35.817 2.056
280 HA SER 43 HA SER 43 12.998 38.441 2.579
281 HB2 SER 43 HB2 SER 43 15.154 39.044 1.689
282 HB3 SER 43 HB3 SER 43 15.316 37.473 2.473
283 HG SER 43 HG SER 43 15.442 38.143 -0.227
284 H LYS 44 H LYS 44 13.167 36.818 -0.566
285 HA LYS 44 HA LYS 44 12.750 38.993 -2.232
286 HB2 LYS 44 HB2 LYS 44 11.722 36.169 -2.570
287 HB3 LYS 44 HB3 LYS 44 11.826 37.370 -3.851
288 HG2 LYS 44 HG2 LYS 44 14.268 36.606 -2.308
289 HG3 LYS 44 HG3 LYS 44 13.680 35.583 -3.620
290 HD2 LYS 44 HD2 LYS 44 14.115 37.171 -5.232
291 HD3 LYS 44 HD3 LYS 44 13.999 38.513 -4.091
292 HE2 LYS 44 HE2 LYS 44 16.260 38.462 -4.383
293 HE3 LYS 44 HE3 LYS 44 16.118 37.327 -3.042
294 HZ1 LYS 44 HZ1 LYS 44 17.510 36.319 -4.629
295 HZ2 LYS 44 HZ2 LYS 44 16.017 35.537 -4.782
296 HZ3 LYS 44 HZ3 LYS 44 16.481 36.705 -5.915
297 H CYS 45 H CYS 45 10.458 37.180 -0.299
298 HA CYS 45 HA CYS 45 8.080 38.097 -1.465
299 HB2 CYS 45 HB2 CYS 45 8.741 36.413 0.623
300 HB3 CYS 45 HB3 CYS 45 7.932 37.748 1.435
301 HG CYS 45 HG CYS 45 5.817 37.418 -0.722
302 H ARG 46 H ARG 46 10.338 39.635 0.660
303 HA ARG 46 HA ARG 46 8.845 41.551 1.939
304 HB2 ARG 46 HB2 ARG 46 11.592 41.789 0.707
305 HB3 ARG 46 HB3 ARG 46 10.892 43.008 1.763
306 HG2 ARG 46 HG2 ARG 46 11.254 40.140 2.584
307 HG3 ARG 46 HG3 ARG 46 12.473 41.388 2.851
308 HD2 ARG 46 HD2 ARG 46 10.123 42.516 3.795
309 HD3 ARG 46 HD3 ARG 46 10.028 40.832 4.309
310 HE ARG 46 HE ARG 46 11.647 41.277 5.847
311 HH11 ARG 46 HH11 ARG 46 11.813 43.687 3.340
312 HH12 ARG 46 HH12 ARG 46 13.040 44.617 4.135
313 HH21 ARG 46 HH21 ARG 46 13.262 42.493 6.903
314 HH22 ARG 46 HH22 ARG 46 13.864 43.936 6.161
315 H LYS 47 H LYS 47 9.857 41.467 -1.424
316 HA LYS 47 HA LYS 47 8.962 44.131 -2.006
317 HB2 LYS 47 HB2 LYS 47 10.766 42.825 -3.251
318 HB3 LYS 47 HB3 LYS 47 9.454 41.933 -4.011
319 HG2 LYS 47 HG2 LYS 47 9.955 43.586 -5.555
320 HG3 LYS 47 HG3 LYS 47 8.558 44.241 -4.697
321 HD2 LYS 47 HD2 LYS 47 10.092 45.544 -3.264
322 HD3 LYS 47 HD3 LYS 47 11.455 44.934 -4.206
323 HE2 LYS 47 HE2 LYS 47 11.087 46.944 -5.247
324 HE3 LYS 47 HE3 LYS 47 10.074 45.884 -6.226
325 HZ1 LYS 47 HZ1 LYS 47 8.180 46.793 -5.419
326 HZ2 LYS 47 HZ2 LYS 47 8.835 47.130 -3.896
327 HZ3 LYS 47 HZ3 LYS 47 9.184 48.139 -5.209
328 H GLN 48 H GLN 48 7.628 40.890 -2.274
329 HA GLN 48 HA GLN 48 5.279 41.780 -3.693
330 HB2 GLN 48 HB2 GLN 48 5.978 39.128 -2.425
331 HB3 GLN 48 HB3 GLN 48 4.513 39.428 -3.351
332 HG2 GLN 48 HG2 GLN 48 7.287 39.782 -4.454
333 HG3 GLN 48 HG3 GLN 48 6.349 38.297 -4.605
334 HE21 GLN 48 HE21 GLN 48 4.011 38.794 -5.404
335 HE22 GLN 48 HE22 GLN 48 3.928 39.807 -6.801
336 H SER 49 H SER 49 6.246 42.179 -0.608
337 HA SER 49 HA SER 49 4.152 41.375 1.021
338 HB2 SER 49 HB2 SER 49 6.349 42.424 1.735
339 HB3 SER 49 HB3 SER 49 5.635 43.988 1.344
340 HG SER 49 HG SER 49 5.261 42.413 3.524
341 H ASN 50 H ASN 50 4.343 44.031 -1.228
342 HA ASN 50 HA ASN 50 2.316 45.689 -0.364
343 HB2 ASN 50 HB2 ASN 50 3.849 46.026 -2.355
344 HB3 ASN 50 HB3 ASN 50 2.768 44.973 -3.263
345 HD21 ASN 50 HD21 ASN 50 3.190 48.076 -1.801
346 HD22 ASN 50 HD22 ASN 50 1.783 48.818 -2.475
347 H LEU 51 H LEU 51 2.096 42.558 -1.886
348 HA LEU 51 HA LEU 51 -0.719 42.423 -1.233
349 HB2 LEU 51 HB2 LEU 51 -0.332 43.399 -3.627
350 HB3 LEU 51 HB3 LEU 51 0.001 41.720 -4.044
351 HG LEU 51 HG LEU 51 -2.302 42.350 -4.567
352 HD11 LEU 51 HD11 LEU 51 -2.165 40.425 -2.252
353 HD12 LEU 51 HD12 LEU 51 -3.403 40.485 -3.507
354 HD13 LEU 51 HD13 LEU 51 -1.749 40.035 -3.921
355 HD21 LEU 51 HD21 LEU 51 -3.613 43.515 -3.194
356 HD22 LEU 51 HD22 LEU 51 -3.280 42.434 -1.841
357 HD23 LEU 51 HD23 LEU 51 -2.184 43.770 -2.192
358 H TYR 52 H TYR 52 -0.469 40.678 0.055
359 HA TYR 52 HA TYR 52 0.795 38.291 -1.121
360 HB2 TYR 52 HB2 TYR 52 1.427 37.582 1.054
361 HB3 TYR 52 HB3 TYR 52 1.842 39.290 0.967
362 HD1 TYR 52 HD1 TYR 52 0.065 40.945 1.910
363 HD2 TYR 52 HD2 TYR 52 0.173 36.796 2.844
364 HE1 TYR 52 HE1 TYR 52 -1.258 41.374 3.939
365 HE2 TYR 52 HE2 TYR 52 -1.151 37.212 4.875
366 HH TYR 52 HH TYR 52 -1.439 39.813 6.381
367 H GLU 53 H GLU 53 -0.096 36.245 0.171
368 HA GLU 53 HA GLU 53 -2.914 36.359 0.753
369 HB2 GLU 53 HB2 GLU 53 -3.115 36.300 -1.630
370 HB3 GLU 53 HB3 GLU 53 -1.908 35.030 -1.761
371 HG2 GLU 53 HG2 GLU 53 -3.434 33.492 -0.593
372 HG3 GLU 53 HG3 GLU 53 -4.651 34.767 -0.553
373 H CYS 54 H CYS 54 -3.157 35.045 2.423
374 HA CYS 54 HA CYS 54 -1.234 33.192 3.275
375 HB2 CYS 54 HB2 CYS 54 -2.911 34.260 4.759
376 HB3 CYS 54 HB3 CYS 54 -4.166 33.280 4.011
377 HG CYS 54 HG CYS 54 -1.578 31.558 5.291
378 HA PRO 55 HA PRO 55 -2.272 29.964 0.344
379 HB2 PRO 55 HB2 PRO 55 -0.227 28.327 1.059
380 HB3 PRO 55 HB3 PRO 55 -0.011 29.731 0.007
381 HG2 PRO 55 HG2 PRO 55 0.531 29.459 2.938
382 HG3 PRO 55 HG3 PRO 55 1.512 30.245 1.687
383 HD2 PRO 55 HD2 PRO 55 -0.082 31.636 3.378
384 HD3 PRO 55 HD3 PRO 55 0.232 32.162 1.711
385 H ASP 56 H ASP 56 -2.297 29.949 3.745
386 HA ASP 56 HA ASP 56 -3.005 27.170 4.062
387 HB2 ASP 56 HB2 ASP 56 -2.081 29.200 5.760
388 HB3 ASP 56 HB3 ASP 56 -3.710 28.835 6.320
389 H CYS 57 H CYS 57 -4.723 30.247 4.622
390 HA CYS 57 HA CYS 57 -7.255 28.796 4.242
391 HB2 CYS 57 HB2 CYS 57 -8.304 30.674 5.481
392 HB3 CYS 57 HB3 CYS 57 -7.100 29.817 6.435
393 HG CYS 57 HG CYS 57 -7.335 32.956 6.112
394 H GLY 58 H GLY 58 -5.405 29.994 2.191
395 HA2 GLY 58 HA2 GLY 58 -5.503 31.352 0.327
396 HA3 GLY 58 HA3 GLY 58 -7.165 30.783 0.274
397 H PHE 59 H PHE 59 -5.622 32.909 2.653
398 HA PHE 59 HA PHE 59 -7.751 34.851 2.226
399 HB2 PHE 59 HB2 PHE 59 -7.296 34.285 4.526
400 HB3 PHE 59 HB3 PHE 59 -5.585 34.649 4.324
401 HD1 PHE 59 HD1 PHE 59 -8.711 36.489 3.449
402 HD2 PHE 59 HD2 PHE 59 -5.015 36.492 5.560
403 HE1 PHE 59 HE1 PHE 59 -9.124 38.807 4.164
404 HE2 PHE 59 HE2 PHE 59 -5.423 38.809 6.279
405 HZ PHE 59 HZ PHE 59 -7.479 39.970 5.580
406 H MET 60 H MET 60 -7.359 36.104 0.490
407 HA MET 60 HA MET 60 -4.710 37.001 -0.184
408 HB2 MET 60 HB2 MET 60 -7.379 37.846 -1.324
409 HB3 MET 60 HB3 MET 60 -5.803 38.180 -2.027
410 HG2 MET 60 HG2 MET 60 -5.566 36.088 -2.846
411 HG3 MET 60 HG3 MET 60 -6.445 35.347 -1.511
412 HE1 MET 60 HE1 MET 60 -6.322 34.701 -4.413
413 HE2 MET 60 HE2 MET 60 -7.833 33.835 -4.136
414 HE3 MET 60 HE3 MET 60 -7.734 35.051 -5.410
415 H GLY 61 H GLY 61 -3.722 38.726 0.626
416 HA2 GLY 61 HA2 GLY 61 -5.369 40.988 1.550
417 HA3 GLY 61 HA3 GLY 61 -4.119 40.326 2.592
418 HA PRO 62 HA PRO 62 -2.413 43.774 -0.108
419 HB2 PRO 62 HB2 PRO 62 -1.669 45.407 1.929
420 HB3 PRO 62 HB3 PRO 62 -3.271 45.469 1.185
421 HG2 PRO 62 HG2 PRO 62 -2.413 44.140 3.727
422 HG3 PRO 62 HG3 PRO 62 -3.868 45.101 3.402
423 HD2 PRO 62 HD2 PRO 62 -3.891 42.394 3.456
424 HD3 PRO 62 HD3 PRO 62 -4.961 43.337 2.399
Start of MODEL 11
1 H1 GLY 1 H GLY 1 12.495 12.309 -10.355
2 HA2 GLY 1 HA2 GLY 1 12.165 12.055 -8.090
3 HA3 GLY 1 HA3 GLY 1 11.513 13.687 -8.062
4 H ALA 2 H ALA 2 10.363 11.908 -6.428
5 HA ALA 2 HA ALA 2 7.944 10.960 -7.801
6 HB1 ALA 2 HB1 ALA 2 7.944 10.127 -5.101
7 HB2 ALA 2 HB2 ALA 2 8.174 9.145 -6.548
8 HB3 ALA 2 HB3 ALA 2 9.568 9.856 -5.735
9 H MET 3 H MET 3 5.873 11.421 -6.940
10 HA MET 3 HA MET 3 5.668 14.068 -5.826
11 HB2 MET 3 HB2 MET 3 4.151 13.002 -7.613
12 HB3 MET 3 HB3 MET 3 3.368 12.180 -6.270
13 HG2 MET 3 HG2 MET 3 2.038 14.031 -6.549
14 HG3 MET 3 HG3 MET 3 3.133 14.553 -5.271
15 HE1 MET 3 HE1 MET 3 1.257 16.300 -7.235
16 HE2 MET 3 HE2 MET 3 2.198 17.137 -6.001
17 HE3 MET 3 HE3 MET 3 2.278 17.667 -7.681
18 H GLY 4 H GLY 4 5.479 14.575 -3.744
19 HA2 GLY 4 HA2 GLY 4 3.975 13.077 -1.871
20 HA3 GLY 4 HA3 GLY 4 5.685 12.726 -1.671
21 H SER 5 H SER 5 3.165 15.047 -1.227
22 HA SER 5 HA SER 5 5.025 17.071 -0.245
23 HB2 SER 5 HB2 SER 5 2.045 17.075 -0.730
24 HB3 SER 5 HB3 SER 5 2.876 18.404 0.078
25 HG SER 5 HG SER 5 3.146 19.073 -1.905
26 H GLU 6 H GLU 6 2.345 15.061 0.913
27 HA GLU 6 HA GLU 6 2.525 16.006 3.607
28 HB2 GLU 6 HB2 GLU 6 1.079 13.729 2.280
29 HB3 GLU 6 HB3 GLU 6 1.087 13.903 4.029
30 HG2 GLU 6 HG2 GLU 6 -0.232 15.760 3.996
31 HG3 GLU 6 HG3 GLU 6 0.315 16.256 2.395
32 H SER 7 H SER 7 3.640 13.118 1.891
33 HA SER 7 HA SER 7 4.604 11.638 4.018
34 HB2 SER 7 HB2 SER 7 4.505 11.008 1.533
35 HB3 SER 7 HB3 SER 7 6.063 11.821 1.384
36 HG SER 7 HG SER 7 6.604 10.356 3.284
37 H GLU 8 H GLU 8 6.104 14.335 2.317
38 HA GLU 8 HA GLU 8 8.641 14.123 3.571
39 HB2 GLU 8 HB2 GLU 8 7.224 16.288 2.052
40 HB3 GLU 8 HB3 GLU 8 8.748 16.626 2.861
41 HG2 GLU 8 HG2 GLU 8 8.393 14.399 0.876
42 HG3 GLU 8 HG3 GLU 8 8.912 16.025 0.434
43 H GLN 9 H GLN 9 9.556 15.598 5.133
44 HA GLN 9 HA GLN 9 7.737 16.073 7.327
45 HB2 GLN 9 HB2 GLN 9 10.719 16.495 7.077
46 HB3 GLN 9 HB3 GLN 9 9.800 16.719 8.559
47 HG2 GLN 9 HG2 GLN 9 9.069 14.288 8.255
48 HG3 GLN 9 HG3 GLN 9 10.380 14.180 7.082
49 HE21 GLN 9 HE21 GLN 9 11.969 13.097 8.004
50 HE22 GLN 9 HE22 GLN 9 12.612 13.387 9.580
51 H ARG 10 H ARG 10 8.153 18.183 8.618
52 HA ARG 10 HA ARG 10 8.318 20.467 6.772
53 HB2 ARG 10 HB2 ARG 10 6.472 21.515 8.190
54 HB3 ARG 10 HB3 ARG 10 5.994 20.244 7.073
55 HG2 ARG 10 HG2 ARG 10 6.683 19.374 9.804
56 HG3 ARG 10 HG3 ARG 10 5.218 20.344 9.636
57 HD2 ARG 10 HD2 ARG 10 4.714 18.699 7.667
58 HD3 ARG 10 HD3 ARG 10 5.861 17.656 8.506
59 HE ARG 10 HE ARG 10 3.961 18.609 10.345
60 HH11 ARG 10 HH11 ARG 10 4.225 16.447 7.628
61 HH12 ARG 10 HH12 ARG 10 2.946 15.409 8.163
62 HH21 ARG 10 HH21 ARG 10 2.275 17.249 11.060
63 HH22 ARG 10 HH22 ARG 10 1.837 15.866 10.115
64 H HIS 11 H HIS 11 10.547 20.205 7.854
65 HA HIS 11 HA HIS 11 10.568 21.843 10.303
66 HB2 HIS 11 HB2 HIS 11 12.258 19.458 9.583
67 HB3 HIS 11 HB3 HIS 11 12.794 20.638 10.774
68 HD1 HIS 11 HD1 HIS 11 12.204 20.039 13.091
69 HD2 HIS 11 HD2 HIS 11 9.522 18.427 10.358
70 HE1 HIS 11 HE1 HIS 11 10.585 18.683 14.457
71 H ALA 12 H ALA 12 10.561 23.165 7.984
72 HA ALA 12 HA ALA 12 13.171 24.401 7.962
73 HB1 ALA 12 HB1 ALA 12 12.636 24.085 5.217
74 HB2 ALA 12 HB2 ALA 12 13.974 23.411 6.147
75 HB3 ALA 12 HB3 ALA 12 12.485 22.488 5.950
76 H HIS 13 H HIS 13 12.741 26.495 8.093
77 HA HIS 13 HA HIS 13 10.200 27.542 7.172
78 HB2 HIS 13 HB2 HIS 13 12.411 28.509 8.906
79 HB3 HIS 13 HB3 HIS 13 11.461 29.733 8.068
80 HD1 HIS 13 HD1 HIS 13 10.469 30.552 10.319
81 HD2 HIS 13 HD2 HIS 13 9.588 26.598 9.399
82 HE1 HIS 13 HE1 HIS 13 8.639 29.884 11.910
83 H GLN 14 H GLN 14 10.056 27.882 5.040
84 HA GLN 14 HA GLN 14 12.245 29.364 3.738
85 HB2 GLN 14 HB2 GLN 14 10.672 27.010 2.851
86 HB3 GLN 14 HB3 GLN 14 11.040 28.220 1.629
87 HG2 GLN 14 HG2 GLN 14 13.246 27.739 1.614
88 HG3 GLN 14 HG3 GLN 14 13.285 27.346 3.332
89 HE21 GLN 14 HE21 GLN 14 13.408 26.115 0.249
90 HE22 GLN 14 HE22 GLN 14 13.104 24.453 0.606
91 H CYS 15 H CYS 15 11.470 30.575 1.750
92 HA CYS 15 HA CYS 15 9.424 32.380 2.533
93 HB2 CYS 15 HB2 CYS 15 11.448 32.911 1.099
94 HB3 CYS 15 HB3 CYS 15 10.610 32.120 -0.230
95 HG CYS 15 HG CYS 15 8.793 34.481 1.293
96 H VAL 16 H VAL 16 7.330 32.555 1.918
97 HA VAL 16 HA VAL 16 6.013 30.247 0.910
98 HB VAL 16 HB VAL 16 3.964 31.569 1.016
99 HG11 VAL 16 HG11 VAL 16 3.859 31.699 3.312
100 HG12 VAL 16 HG12 VAL 16 5.276 30.672 3.093
101 HG13 VAL 16 HG13 VAL 16 5.477 32.386 3.455
102 HG21 VAL 16 HG21 VAL 16 4.182 33.952 1.888
103 HG22 VAL 16 HG22 VAL 16 5.869 33.864 1.383
104 HG23 VAL 16 HG23 VAL 16 4.582 33.684 0.192
105 H SER 17 H SER 17 7.249 33.146 -0.541
106 HA SER 17 HA SER 17 5.728 32.917 -2.968
107 HB2 SER 17 HB2 SER 17 6.485 35.112 -2.277
108 HB3 SER 17 HB3 SER 17 8.164 34.573 -2.270
109 HG SER 17 HG SER 17 8.119 35.323 -4.242
110 H CYS 18 H CYS 18 9.226 32.648 -2.309
111 HA CYS 18 HA CYS 18 9.422 30.815 -4.603
112 HB2 CYS 18 HB2 CYS 18 10.774 32.807 -4.889
113 HB3 CYS 18 HB3 CYS 18 11.521 32.568 -3.314
114 HG CYS 18 HG CYS 18 12.156 31.011 -6.242
115 H GLY 19 H GLY 19 11.520 31.342 -1.781
116 HA2 GLY 19 HA2 GLY 19 11.043 29.299 -0.135
117 HA3 GLY 19 HA3 GLY 19 11.794 28.459 -1.484
118 H ILE 20 H ILE 20 12.600 31.678 -0.274
119 HA ILE 20 HA ILE 20 15.360 31.254 -0.323
120 HB ILE 20 HB ILE 20 13.808 33.244 1.337
121 HG12 ILE 20 HG12 ILE 20 14.969 34.612 -0.736
122 HG13 ILE 20 HG13 ILE 20 14.547 33.085 -1.505
123 HG21 ILE 20 HG21 ILE 20 16.017 33.042 2.232
124 HG22 ILE 20 HG22 ILE 20 16.731 33.104 0.621
125 HG23 ILE 20 HG23 ILE 20 15.944 34.533 1.293
126 HD11 ILE 20 HD11 ILE 20 12.460 34.354 0.150
127 HD12 ILE 20 HD12 ILE 20 12.882 35.156 -1.363
128 HD13 ILE 20 HD13 ILE 20 12.331 33.481 -1.377
129 H ASN 21 H ASN 21 16.870 30.744 1.233
130 HA ASN 21 HA ASN 21 15.956 29.050 3.363
131 HB2 ASN 21 HB2 ASN 21 18.749 29.980 2.658
132 HB3 ASN 21 HB3 ASN 21 18.360 28.715 3.819
133 HD21 ASN 21 HD21 ASN 21 17.506 26.750 3.067
134 HD22 ASN 21 HD22 ASN 21 17.709 26.254 1.424
135 H ILE 22 H ILE 22 14.764 31.176 4.127
136 HA ILE 22 HA ILE 22 16.485 32.736 5.910
137 HB ILE 22 HB ILE 22 14.452 34.132 6.276
138 HG12 ILE 22 HG12 ILE 22 13.262 32.538 4.001
139 HG13 ILE 22 HG13 ILE 22 12.848 32.269 5.691
140 HG21 ILE 22 HG21 ILE 22 16.178 34.048 4.097
141 HG22 ILE 22 HG22 ILE 22 14.578 34.284 3.395
142 HG23 ILE 22 HG23 ILE 22 15.183 35.411 4.610
143 HD11 ILE 22 HD11 ILE 22 11.551 33.952 3.984
144 HD12 ILE 22 HD12 ILE 22 11.480 34.024 5.744
145 HD13 ILE 22 HD13 ILE 22 12.611 35.053 4.864
146 H ALA 23 H ALA 23 15.980 29.993 6.539
147 HA ALA 23 HA ALA 23 13.926 29.742 8.485
148 HB1 ALA 23 HB1 ALA 23 16.419 28.063 8.311
149 HB2 ALA 23 HB2 ALA 23 14.849 27.611 8.975
150 HB3 ALA 23 HB3 ALA 23 15.034 27.857 7.239
151 H GLY 24 H GLY 24 13.871 30.771 10.369
152 HA2 GLY 24 HA2 GLY 24 14.526 31.563 12.425
153 HA3 GLY 24 HA3 GLY 24 15.976 30.583 12.262
154 H MET 25 H MET 25 15.374 32.802 9.723
155 HA MET 25 HA MET 25 17.506 34.539 10.771
156 HB2 MET 25 HB2 MET 25 16.632 34.115 7.907
157 HB3 MET 25 HB3 MET 25 17.962 35.136 8.436
158 HG2 MET 25 HG2 MET 25 17.896 32.209 9.063
159 HG3 MET 25 HG3 MET 25 18.505 32.813 7.524
160 HE1 MET 25 HE1 MET 25 21.448 33.142 7.497
161 HE2 MET 25 HE2 MET 25 20.209 34.353 7.171
162 HE3 MET 25 HE3 MET 25 21.565 34.742 8.230
163 H SER 26 H SER 26 17.276 36.757 9.295
164 HA SER 26 HA SER 26 14.974 38.032 10.445
165 HB2 SER 26 HB2 SER 26 17.106 39.217 10.366
166 HB3 SER 26 HB3 SER 26 17.126 39.110 8.606
167 HG SER 26 HG SER 26 15.339 40.576 10.244
168 H ALA 27 H ALA 27 13.041 38.203 9.543
169 HA ALA 27 HA ALA 27 12.555 38.956 6.890
170 HB1 ALA 27 HB1 ALA 27 13.263 36.851 6.122
171 HB2 ALA 27 HB2 ALA 27 12.423 36.002 7.419
172 HB3 ALA 27 HB3 ALA 27 11.501 36.770 6.127
173 H ALA 28 H ALA 28 10.237 38.884 6.331
174 HA ALA 28 HA ALA 28 8.616 39.805 8.381
175 HB1 ALA 28 HB1 ALA 28 7.355 38.452 6.045
176 HB2 ALA 28 HB2 ALA 28 6.944 39.981 6.822
177 HB3 ALA 28 HB3 ALA 28 8.356 39.878 5.771
178 H THR 29 H THR 29 8.327 38.603 10.180
179 HA THR 29 HA THR 29 7.370 35.839 9.862
180 HB THR 29 HB THR 29 8.004 36.623 12.593
181 HG1 THR 29 HG1 THR 29 10.111 37.113 12.336
182 HG21 THR 29 HG21 THR 29 7.817 34.331 12.160
183 HG22 THR 29 HG22 THR 29 8.783 34.436 10.688
184 HG23 THR 29 HG23 THR 29 9.558 34.594 12.264
185 H PHE 30 H PHE 30 5.289 35.457 10.203
186 HA PHE 30 HA PHE 30 3.841 36.969 12.231
187 HB2 PHE 30 HB2 PHE 30 1.957 37.417 10.684
188 HB3 PHE 30 HB3 PHE 30 3.430 38.261 10.214
189 HD1 PHE 30 HD1 PHE 30 4.839 37.272 8.361
190 HD2 PHE 30 HD2 PHE 30 0.873 35.976 9.205
191 HE1 PHE 30 HE1 PHE 30 4.686 36.286 6.112
192 HE2 PHE 30 HE2 PHE 30 0.714 34.987 6.957
193 HZ PHE 30 HZ PHE 30 2.622 35.143 5.407
194 H LYS 31 H LYS 31 1.451 36.070 12.254
195 HA LYS 31 HA LYS 31 1.652 33.133 12.104
196 HB2 LYS 31 HB2 LYS 31 1.532 33.780 14.400
197 HB3 LYS 31 HB3 LYS 31 0.220 34.906 14.082
198 HG2 LYS 31 HG2 LYS 31 -1.266 33.043 13.568
199 HG3 LYS 31 HG3 LYS 31 0.051 31.906 13.865
200 HD2 LYS 31 HD2 LYS 31 -0.039 32.182 16.128
201 HD3 LYS 31 HD3 LYS 31 -0.594 33.854 16.011
202 HE2 LYS 31 HE2 LYS 31 -2.788 32.899 15.148
203 HE3 LYS 31 HE3 LYS 31 -2.194 31.328 15.685
204 HZ1 LYS 31 HZ1 LYS 31 -2.217 33.609 17.548
205 HZ2 LYS 31 HZ2 LYS 31 -3.639 32.737 17.265
206 HZ3 LYS 31 HZ3 LYS 31 -2.275 31.952 17.887
207 H CYS 32 H CYS 32 0.285 32.138 10.781
208 HA CYS 32 HA CYS 32 -1.581 33.551 9.203
209 HB2 CYS 32 HB2 CYS 32 -0.384 31.405 8.587
210 HB3 CYS 32 HB3 CYS 32 -1.524 30.562 9.629
211 HG CYS 32 HG CYS 32 -2.174 32.185 6.700
212 HA PRO 33 HA PRO 33 -4.955 33.647 12.089
213 HB2 PRO 33 HB2 PRO 33 -6.783 34.693 10.377
214 HB3 PRO 33 HB3 PRO 33 -5.508 35.659 11.129
215 HG2 PRO 33 HG2 PRO 33 -5.614 34.469 8.384
216 HG3 PRO 33 HG3 PRO 33 -5.065 36.079 8.885
217 HD2 PRO 33 HD2 PRO 33 -3.347 34.058 8.342
218 HD3 PRO 33 HD3 PRO 33 -3.002 35.305 9.558
219 H ASP 34 H ASP 34 -4.633 31.707 9.348
220 HA ASP 34 HA ASP 34 -7.280 30.516 9.537
221 HB2 ASP 34 HB2 ASP 34 -5.918 30.914 7.361
222 HB3 ASP 34 HB3 ASP 34 -5.046 29.457 7.831
223 H CYS 35 H CYS 35 -3.904 29.405 9.819
224 HA CYS 35 HA CYS 35 -4.874 27.191 11.502
225 HB2 CYS 35 HB2 CYS 35 -2.643 26.121 10.883
226 HB3 CYS 35 HB3 CYS 35 -3.840 26.240 9.600
227 HG CYS 35 HG CYS 35 -1.464 26.769 8.365
228 H GLY 36 H GLY 36 -2.258 29.557 11.105
229 HA2 GLY 36 HA2 GLY 36 -1.506 30.846 12.996
230 HA3 GLY 36 HA3 GLY 36 -1.878 29.471 14.025
231 H GLN 37 H GLN 37 -0.303 28.827 11.033
232 HA GLN 37 HA GLN 37 2.027 27.863 12.445
233 HB2 GLN 37 HB2 GLN 37 1.400 27.857 9.488
234 HB3 GLN 37 HB3 GLN 37 2.726 26.997 10.257
235 HG2 GLN 37 HG2 GLN 37 -0.099 26.489 11.088
236 HG3 GLN 37 HG3 GLN 37 0.573 25.718 9.652
237 HE21 GLN 37 HE21 GLN 37 0.745 25.974 13.118
238 HE22 GLN 37 HE22 GLN 37 1.677 24.543 13.379
239 H GLU 38 H GLU 38 3.825 28.983 12.768
240 HA GLU 38 HA GLU 38 4.200 31.631 12.102
241 HB2 GLU 38 HB2 GLU 38 5.504 30.104 13.745
242 HB3 GLU 38 HB3 GLU 38 6.540 29.767 12.365
243 HG2 GLU 38 HG2 GLU 38 7.219 32.020 12.199
244 HG3 GLU 38 HG3 GLU 38 5.956 32.557 13.304
245 H ILE 39 H ILE 39 4.291 32.526 10.156
246 HA ILE 39 HA ILE 39 5.495 31.031 7.940
247 HB ILE 39 HB ILE 39 3.972 33.618 7.708
248 HG12 ILE 39 HG12 ILE 39 2.894 30.792 7.658
249 HG13 ILE 39 HG13 ILE 39 2.517 32.034 8.847
250 HG21 ILE 39 HG21 ILE 39 3.727 33.058 5.427
251 HG22 ILE 39 HG22 ILE 39 5.418 32.749 5.823
252 HG23 ILE 39 HG23 ILE 39 4.282 31.406 5.696
253 HD11 ILE 39 HD11 ILE 39 1.919 33.097 6.303
254 HD12 ILE 39 HD12 ILE 39 1.231 31.475 6.381
255 HD13 ILE 39 HD13 ILE 39 0.809 32.671 7.606
256 H SER 40 H SER 40 7.303 31.686 6.917
257 HA SER 40 HA SER 40 8.498 34.243 7.767
258 HB2 SER 40 HB2 SER 40 10.698 33.215 7.676
259 HB3 SER 40 HB3 SER 40 9.661 32.271 8.746
260 HG SER 40 HG SER 40 10.484 31.669 6.110
261 H ARG 41 H ARG 41 8.290 35.577 6.086
262 HA ARG 41 HA ARG 41 8.957 34.549 3.405
263 HB2 ARG 41 HB2 ARG 41 7.266 36.981 3.966
264 HB3 ARG 41 HB3 ARG 41 7.443 36.112 2.448
265 HG2 ARG 41 HG2 ARG 41 6.224 34.235 3.316
266 HG3 ARG 41 HG3 ARG 41 6.167 34.966 4.921
267 HD2 ARG 41 HD2 ARG 41 4.060 35.189 3.585
268 HD3 ARG 41 HD3 ARG 41 4.738 36.711 4.162
269 HE ARG 41 HE ARG 41 5.692 36.157 1.566
270 HH11 ARG 41 HH11 ARG 41 2.810 37.143 3.250
271 HH12 ARG 41 HH12 ARG 41 2.165 38.021 1.902
272 HH21 ARG 41 HH21 ARG 41 4.855 37.309 -0.216
273 HH22 ARG 41 HH22 ARG 41 3.329 38.114 -0.069
274 H CYS 42 H CYS 42 10.773 35.302 2.554
275 HA CYS 42 HA CYS 42 12.477 37.109 3.789
276 HB2 CYS 42 HB2 CYS 42 12.842 35.412 1.805
277 HB3 CYS 42 HB3 CYS 42 12.533 36.831 0.812
278 HG CYS 42 HG CYS 42 14.683 37.762 3.046
279 H SER 43 H SER 43 13.262 39.202 2.871
280 HA SER 43 HA SER 43 11.340 41.162 2.976
281 HB2 SER 43 HB2 SER 43 13.077 42.594 1.732
282 HB3 SER 43 HB3 SER 43 13.579 41.854 3.252
283 HG SER 43 HG SER 43 15.086 41.621 1.464
284 H LYS 44 H LYS 44 12.428 39.324 0.206
285 HA LYS 44 HA LYS 44 11.480 40.835 -1.898
286 HB2 LYS 44 HB2 LYS 44 11.487 37.832 -1.557
287 HB3 LYS 44 HB3 LYS 44 11.156 38.644 -3.082
288 HG2 LYS 44 HG2 LYS 44 13.704 39.016 -1.530
289 HG3 LYS 44 HG3 LYS 44 13.496 37.802 -2.795
290 HD2 LYS 44 HD2 LYS 44 13.283 39.408 -4.470
291 HD3 LYS 44 HD3 LYS 44 12.882 40.688 -3.322
292 HE2 LYS 44 HE2 LYS 44 15.213 40.486 -2.426
293 HE3 LYS 44 HE3 LYS 44 15.566 39.389 -3.760
294 HZ1 LYS 44 HZ1 LYS 44 16.102 41.881 -4.008
295 HZ2 LYS 44 HZ2 LYS 44 15.381 41.071 -5.306
296 HZ3 LYS 44 HZ3 LYS 44 14.445 42.059 -4.301
297 H CYS 45 H CYS 45 9.696 38.901 0.401
298 HA CYS 45 HA CYS 45 7.275 38.584 -0.900
299 HB2 CYS 45 HB2 CYS 45 6.316 38.179 1.210
300 HB3 CYS 45 HB3 CYS 45 8.003 37.719 1.404
301 HG CYS 45 HG CYS 45 8.754 39.793 2.949
302 H ARG 46 H ARG 46 8.726 41.455 0.352
303 HA ARG 46 HA ARG 46 6.620 43.115 0.901
304 HB2 ARG 46 HB2 ARG 46 9.253 43.655 -0.453
305 HB3 ARG 46 HB3 ARG 46 8.105 44.949 -0.131
306 HG2 ARG 46 HG2 ARG 46 8.226 44.540 2.234
307 HG3 ARG 46 HG3 ARG 46 9.242 43.121 1.972
308 HD2 ARG 46 HD2 ARG 46 9.949 45.988 1.358
309 HD3 ARG 46 HD3 ARG 46 10.607 44.997 2.659
310 HE ARG 46 HE ARG 46 11.161 43.614 0.360
311 HH11 ARG 46 HH11 ARG 46 11.854 46.799 1.582
312 HH12 ARG 46 HH12 ARG 46 13.355 46.942 0.728
313 HH21 ARG 46 HH21 ARG 46 13.135 43.791 -0.770
314 HH22 ARG 46 HH22 ARG 46 14.082 45.231 -0.610
315 H LYS 47 H LYS 47 7.867 42.199 -2.274
316 HA LYS 47 HA LYS 47 5.983 43.886 -3.669
317 HB2 LYS 47 HB2 LYS 47 7.070 43.258 -5.631
318 HB3 LYS 47 HB3 LYS 47 8.359 43.194 -4.436
319 HG2 LYS 47 HG2 LYS 47 7.997 40.750 -4.248
320 HG3 LYS 47 HG3 LYS 47 6.813 40.864 -5.552
321 HD2 LYS 47 HD2 LYS 47 8.837 40.201 -6.574
322 HD3 LYS 47 HD3 LYS 47 8.654 41.918 -6.942
323 HE2 LYS 47 HE2 LYS 47 10.840 41.890 -6.277
324 HE3 LYS 47 HE3 LYS 47 10.058 42.186 -4.725
325 HZ1 LYS 47 HZ1 LYS 47 10.141 39.439 -5.053
326 HZ2 LYS 47 HZ2 LYS 47 11.670 40.002 -5.509
327 HZ3 LYS 47 HZ3 LYS 47 11.055 40.373 -3.977
328 H GLN 48 H GLN 48 6.238 40.541 -2.697
329 HA GLN 48 HA GLN 48 4.050 39.654 -4.343
330 HB2 GLN 48 HB2 GLN 48 6.056 38.277 -3.415
331 HB3 GLN 48 HB3 GLN 48 5.078 38.149 -1.960
332 HG2 GLN 48 HG2 GLN 48 4.532 36.225 -3.098
333 HG3 GLN 48 HG3 GLN 48 3.228 37.319 -3.557
334 HE21 GLN 48 HE21 GLN 48 2.861 36.048 -5.412
335 HE22 GLN 48 HE22 GLN 48 3.891 36.164 -6.794
336 H SER 49 H SER 49 4.155 41.566 -1.691
337 HA SER 49 HA SER 49 2.264 40.573 0.084
338 HB2 SER 49 HB2 SER 49 2.558 43.487 -0.666
339 HB3 SER 49 HB3 SER 49 1.996 42.827 0.870
340 HG SER 49 HG SER 49 4.048 42.122 1.310
341 H ASN 50 H ASN 50 1.839 42.182 -3.003
342 HA ASN 50 HA ASN 50 -0.831 42.880 -2.899
343 HB2 ASN 50 HB2 ASN 50 0.506 41.678 -5.328
344 HB3 ASN 50 HB3 ASN 50 -0.826 42.831 -5.296
345 HD21 ASN 50 HD21 ASN 50 1.579 43.172 -6.716
346 HD22 ASN 50 HD22 ASN 50 2.402 44.539 -6.052
347 H LEU 51 H LEU 51 0.619 39.722 -3.372
348 HA LEU 51 HA LEU 51 -1.914 38.455 -2.789
349 HB2 LEU 51 HB2 LEU 51 -1.629 38.887 -5.353
350 HB3 LEU 51 HB3 LEU 51 -0.536 37.507 -5.262
351 HG LEU 51 HG LEU 51 -2.775 36.856 -6.002
352 HD11 LEU 51 HD11 LEU 51 -2.179 35.827 -3.232
353 HD12 LEU 51 HD12 LEU 51 -3.083 35.002 -4.502
354 HD13 LEU 51 HD13 LEU 51 -1.356 35.300 -4.701
355 HD21 LEU 51 HD21 LEU 51 -4.571 37.811 -5.118
356 HD22 LEU 51 HD22 LEU 51 -4.239 36.984 -3.596
357 HD23 LEU 51 HD23 LEU 51 -3.584 38.596 -3.885
358 H TYR 52 H TYR 52 -1.409 37.028 -1.276
359 HA TYR 52 HA TYR 52 1.041 35.430 -1.609
360 HB2 TYR 52 HB2 TYR 52 1.578 35.608 0.682
361 HB3 TYR 52 HB3 TYR 52 1.164 37.246 0.188
362 HD1 TYR 52 HD1 TYR 52 -1.368 37.900 0.554
363 HD2 TYR 52 HD2 TYR 52 0.635 34.763 2.616
364 HE1 TYR 52 HE1 TYR 52 -3.039 38.025 2.354
365 HE2 TYR 52 HE2 TYR 52 -1.031 34.879 4.422
366 HH TYR 52 HH TYR 52 -3.734 37.183 4.283
367 H GLU 53 H GLU 53 0.950 33.482 -0.013
368 HA GLU 53 HA GLU 53 -1.686 32.444 0.513
369 HB2 GLU 53 HB2 GLU 53 -1.553 31.919 -1.842
370 HB3 GLU 53 HB3 GLU 53 0.043 31.211 -1.636
371 HG2 GLU 53 HG2 GLU 53 -1.008 29.505 -0.135
372 HG3 GLU 53 HG3 GLU 53 -2.577 30.149 -0.617
373 H CYS 54 H CYS 54 -1.637 31.066 2.186
374 HA CYS 54 HA CYS 54 0.859 30.551 3.491
375 HB2 CYS 54 HB2 CYS 54 -1.240 31.023 4.728
376 HB3 CYS 54 HB3 CYS 54 -1.897 29.494 4.156
377 HG CYS 54 HG CYS 54 1.040 29.353 5.816
378 HA PRO 55 HA PRO 55 1.552 26.762 1.208
379 HB2 PRO 55 HB2 PRO 55 3.993 26.269 2.290
380 HB3 PRO 55 HB3 PRO 55 3.734 27.451 1.001
381 HG2 PRO 55 HG2 PRO 55 4.012 27.894 3.948
382 HG3 PRO 55 HG3 PRO 55 4.720 28.813 2.607
383 HD2 PRO 55 HD2 PRO 55 2.522 29.652 3.947
384 HD3 PRO 55 HD3 PRO 55 2.777 29.993 2.224
385 H ASP 56 H ASP 56 1.195 27.272 4.560
386 HA ASP 56 HA ASP 56 1.634 24.538 5.363
387 HB2 ASP 56 HB2 ASP 56 0.200 26.651 6.966
388 HB3 ASP 56 HB3 ASP 56 1.082 25.246 7.558
389 H CYS 57 H CYS 57 -1.234 26.660 5.287
390 HA CYS 57 HA CYS 57 -2.907 24.245 5.129
391 HB2 CYS 57 HB2 CYS 57 -4.748 25.664 5.944
392 HB3 CYS 57 HB3 CYS 57 -3.390 25.655 7.062
393 HG CYS 57 HG CYS 57 -4.943 28.214 6.028
394 H GLY 58 H GLY 58 -1.475 25.728 2.927
395 HA2 GLY 58 HA2 GLY 58 -1.905 26.580 0.823
396 HA3 GLY 58 HA3 GLY 58 -3.153 25.342 0.829
397 H PHE 59 H PHE 59 -2.949 28.304 2.764
398 HA PHE 59 HA PHE 59 -5.630 29.014 1.871
399 HB2 PHE 59 HB2 PHE 59 -5.323 29.138 4.237
400 HB3 PHE 59 HB3 PHE 59 -3.846 30.079 4.061
401 HD1 PHE 59 HD1 PHE 59 -7.217 30.469 2.524
402 HD2 PHE 59 HD2 PHE 59 -4.204 32.136 5.026
403 HE1 PHE 59 HE1 PHE 59 -8.524 32.546 2.708
404 HE2 PHE 59 HE2 PHE 59 -5.507 34.215 5.215
405 HZ PHE 59 HZ PHE 59 -7.669 34.423 4.054
406 H MET 60 H MET 60 -5.665 30.052 -0.027
407 HA MET 60 HA MET 60 -3.560 31.884 -0.782
408 HB2 MET 60 HB2 MET 60 -6.143 31.217 -2.204
409 HB3 MET 60 HB3 MET 60 -4.784 32.100 -2.887
410 HG2 MET 60 HG2 MET 60 -3.530 30.231 -3.177
411 HG3 MET 60 HG3 MET 60 -4.250 29.400 -1.800
412 HE1 MET 60 HE1 MET 60 -6.064 27.938 -1.775
413 HE2 MET 60 HE2 MET 60 -6.764 27.152 -3.191
414 HE3 MET 60 HE3 MET 60 -5.044 26.973 -2.842
415 H GLY 61 H GLY 61 -3.545 33.986 -0.342
416 HA2 GLY 61 HA2 GLY 61 -6.125 35.367 0.015
417 HA3 GLY 61 HA3 GLY 61 -4.852 35.550 1.213
418 HA PRO 62 HA PRO 62 -4.525 38.838 -2.137
419 HB2 PRO 62 HB2 PRO 62 -4.890 40.975 -0.502
420 HB3 PRO 62 HB3 PRO 62 -6.225 40.140 -1.304
421 HG2 PRO 62 HG2 PRO 62 -5.234 39.865 1.508
422 HG3 PRO 62 HG3 PRO 62 -6.902 39.953 0.913
423 HD2 PRO 62 HD2 PRO 62 -5.718 37.614 1.588
424 HD3 PRO 62 HD3 PRO 62 -6.935 37.732 0.301
Start of MODEL 12
1 H1 GLY 1 H GLY 1 10.803 -2.230 0.382
2 HA2 GLY 1 HA2 GLY 1 9.410 -1.571 2.154
3 HA3 GLY 1 HA3 GLY 1 9.762 -0.031 1.385
4 H ALA 2 H ALA 2 7.817 0.922 1.934
5 HA ALA 2 HA ALA 2 5.577 0.160 0.246
6 HB1 ALA 2 HB1 ALA 2 4.967 0.589 3.141
7 HB2 ALA 2 HB2 ALA 2 4.011 -0.224 1.901
8 HB3 ALA 2 HB3 ALA 2 5.446 -1.007 2.563
9 H MET 3 H MET 3 3.810 1.806 0.345
10 HA MET 3 HA MET 3 4.905 4.409 0.079
11 HB2 MET 3 HB2 MET 3 2.616 5.120 -0.380
12 HB3 MET 3 HB3 MET 3 2.990 3.639 -1.251
13 HG2 MET 3 HG2 MET 3 1.907 2.818 1.189
14 HG3 MET 3 HG3 MET 3 0.908 4.166 0.651
15 HE1 MET 3 HE1 MET 3 -0.323 1.166 0.960
16 HE2 MET 3 HE2 MET 3 -1.150 2.670 0.553
17 HE3 MET 3 HE3 MET 3 -1.348 1.249 -0.474
18 H GLY 4 H GLY 4 4.393 6.309 1.277
19 HA2 GLY 4 HA2 GLY 4 2.969 6.936 3.365
20 HA3 GLY 4 HA3 GLY 4 4.004 5.739 4.131
21 H SER 5 H SER 5 6.429 6.140 3.684
22 HA SER 5 HA SER 5 7.148 8.554 4.889
23 HB2 SER 5 HB2 SER 5 9.469 7.950 4.300
24 HB3 SER 5 HB3 SER 5 8.585 6.571 4.952
25 HG SER 5 HG SER 5 8.511 5.663 2.986
26 H GLU 6 H GLU 6 7.273 7.582 1.477
27 HA GLU 6 HA GLU 6 8.444 9.920 0.474
28 HB2 GLU 6 HB2 GLU 6 7.477 9.237 -1.702
29 HB3 GLU 6 HB3 GLU 6 8.304 7.922 -0.879
30 HG2 GLU 6 HG2 GLU 6 5.998 7.254 -0.009
31 HG3 GLU 6 HG3 GLU 6 5.361 8.345 -1.237
32 H SER 7 H SER 7 5.095 9.110 1.179
33 HA SER 7 HA SER 7 3.928 11.367 -0.070
34 HB2 SER 7 HB2 SER 7 2.959 9.518 2.112
35 HB3 SER 7 HB3 SER 7 1.973 10.832 1.470
36 HG SER 7 HG SER 7 2.401 9.822 -0.647
37 H GLU 8 H GLU 8 4.862 10.715 3.296
38 HA GLU 8 HA GLU 8 4.028 13.202 4.331
39 HB2 GLU 8 HB2 GLU 8 6.045 11.179 5.295
40 HB3 GLU 8 HB3 GLU 8 5.662 12.637 6.199
41 HG2 GLU 8 HG2 GLU 8 3.501 11.938 6.665
42 HG3 GLU 8 HG3 GLU 8 3.495 10.761 5.352
43 H GLN 9 H GLN 9 5.304 15.002 5.003
44 HA GLN 9 HA GLN 9 7.909 15.290 3.695
45 HB2 GLN 9 HB2 GLN 9 7.199 17.649 3.047
46 HB3 GLN 9 HB3 GLN 9 6.521 16.332 2.099
47 HG2 GLN 9 HG2 GLN 9 4.415 16.556 3.067
48 HG3 GLN 9 HG3 GLN 9 5.039 17.484 4.430
49 HE21 GLN 9 HE21 GLN 9 3.584 17.624 1.408
50 HE22 GLN 9 HE22 GLN 9 3.728 19.324 1.132
51 H ARG 10 H ARG 10 8.728 17.674 4.348
52 HA ARG 10 HA ARG 10 8.303 17.921 7.254
53 HB2 ARG 10 HB2 ARG 10 10.901 18.512 5.840
54 HB3 ARG 10 HB3 ARG 10 10.620 18.383 7.572
55 HG2 ARG 10 HG2 ARG 10 10.419 16.112 5.604
56 HG3 ARG 10 HG3 ARG 10 11.792 16.433 6.665
57 HD2 ARG 10 HD2 ARG 10 8.980 15.728 7.488
58 HD3 ARG 10 HD3 ARG 10 10.419 14.722 7.652
59 HE ARG 10 HE ARG 10 10.995 17.001 9.050
60 HH11 ARG 10 HH11 ARG 10 8.473 14.603 9.149
61 HH12 ARG 10 HH12 ARG 10 8.198 14.774 10.851
62 HH21 ARG 10 HH21 ARG 10 10.642 17.235 11.291
63 HH22 ARG 10 HH22 ARG 10 9.432 16.272 12.069
64 H HIS 11 H HIS 11 9.304 20.138 8.006
65 HA HIS 11 HA HIS 11 7.725 22.167 6.814
66 HB2 HIS 11 HB2 HIS 11 8.971 23.685 8.395
67 HB3 HIS 11 HB3 HIS 11 8.170 22.314 9.159
68 HD1 HIS 11 HD1 HIS 11 9.765 22.332 11.174
69 HD2 HIS 11 HD2 HIS 11 11.677 21.802 7.523
70 HE1 HIS 11 HE1 HIS 11 12.108 21.614 11.740
71 H ALA 12 H ALA 12 8.926 24.414 6.451
72 HA ALA 12 HA ALA 12 11.462 24.468 5.267
73 HB1 ALA 12 HB1 ALA 12 9.417 23.376 3.576
74 HB2 ALA 12 HB2 ALA 12 10.026 24.885 2.897
75 HB3 ALA 12 HB3 ALA 12 11.141 23.569 3.263
76 H HIS 13 H HIS 13 11.853 26.473 5.980
77 HA HIS 13 HA HIS 13 9.838 28.552 5.751
78 HB2 HIS 13 HB2 HIS 13 12.581 28.453 7.001
79 HB3 HIS 13 HB3 HIS 13 11.659 29.948 6.875
80 HD1 HIS 13 HD1 HIS 13 12.475 28.480 9.574
81 HD2 HIS 13 HD2 HIS 13 8.754 28.354 7.731
82 HE1 HIS 13 HE1 HIS 13 10.839 27.918 11.400
83 H GLN 14 H GLN 14 9.615 29.442 3.799
84 HA GLN 14 HA GLN 14 11.965 30.622 2.541
85 HB2 GLN 14 HB2 GLN 14 10.378 28.395 1.420
86 HB3 GLN 14 HB3 GLN 14 10.720 29.718 0.312
87 HG2 GLN 14 HG2 GLN 14 12.898 29.207 0.164
88 HG3 GLN 14 HG3 GLN 14 13.022 28.777 1.869
89 HE21 GLN 14 HE21 GLN 14 11.596 26.731 2.353
90 HE22 GLN 14 HE22 GLN 14 11.891 25.399 1.294
91 H CYS 15 H CYS 15 11.294 32.048 0.662
92 HA CYS 15 HA CYS 15 9.333 33.877 1.561
93 HB2 CYS 15 HB2 CYS 15 11.414 34.287 0.073
94 HB3 CYS 15 HB3 CYS 15 10.369 33.814 -1.261
95 HG CYS 15 HG CYS 15 9.047 36.155 0.734
96 H VAL 16 H VAL 16 7.219 34.040 1.146
97 HA VAL 16 HA VAL 16 5.812 31.930 -0.096
98 HB VAL 16 HB VAL 16 3.810 33.237 0.249
99 HG11 VAL 16 HG11 VAL 16 5.096 32.199 2.197
100 HG12 VAL 16 HG12 VAL 16 5.571 33.848 2.602
101 HG13 VAL 16 HG13 VAL 16 3.865 33.400 2.587
102 HG21 VAL 16 HG21 VAL 16 3.957 35.420 -0.220
103 HG22 VAL 16 HG22 VAL 16 4.528 35.602 1.438
104 HG23 VAL 16 HG23 VAL 16 5.687 35.467 0.116
105 H SER 17 H SER 17 7.110 34.918 -1.284
106 HA SER 17 HA SER 17 5.515 34.993 -3.672
107 HB2 SER 17 HB2 SER 17 7.087 36.828 -2.335
108 HB3 SER 17 HB3 SER 17 8.048 36.458 -3.767
109 HG SER 17 HG SER 17 5.302 37.162 -3.844
110 H CYS 18 H CYS 18 9.016 34.527 -3.156
111 HA CYS 18 HA CYS 18 9.074 32.935 -5.630
112 HB2 CYS 18 HB2 CYS 18 10.503 34.884 -5.761
113 HB3 CYS 18 HB3 CYS 18 11.270 34.473 -4.233
114 HG CYS 18 HG CYS 18 13.270 33.590 -5.632
115 H GLY 19 H GLY 19 11.263 33.084 -2.831
116 HA2 GLY 19 HA2 GLY 19 10.758 30.916 -1.378
117 HA3 GLY 19 HA3 GLY 19 11.402 30.173 -2.835
118 H ILE 20 H ILE 20 12.437 33.211 -1.360
119 HA ILE 20 HA ILE 20 15.166 32.655 -1.584
120 HB ILE 20 HB ILE 20 13.795 34.548 0.330
121 HG12 ILE 20 HG12 ILE 20 15.014 35.995 -1.703
122 HG13 ILE 20 HG13 ILE 20 14.319 34.610 -2.538
123 HG21 ILE 20 HG21 ILE 20 16.130 35.704 0.019
124 HG22 ILE 20 HG22 ILE 20 15.906 34.430 1.219
125 HG23 ILE 20 HG23 ILE 20 16.658 34.058 -0.333
126 HD11 ILE 20 HD11 ILE 20 12.551 35.937 -0.604
127 HD12 ILE 20 HD12 ILE 20 12.989 36.886 -2.024
128 HD13 ILE 20 HD13 ILE 20 12.214 35.314 -2.219
129 H ASN 21 H ASN 21 16.712 31.922 -0.158
130 HA ASN 21 HA ASN 21 15.825 30.040 1.806
131 HB2 ASN 21 HB2 ASN 21 18.649 31.003 1.317
132 HB3 ASN 21 HB3 ASN 21 18.156 29.500 2.092
133 HD21 ASN 21 HD21 ASN 21 18.448 31.216 -0.916
134 HD22 ASN 21 HD22 ASN 21 18.263 29.844 -1.949
135 H ILE 22 H ILE 22 14.638 31.713 3.074
136 HA ILE 22 HA ILE 22 16.422 33.175 4.903
137 HB ILE 22 HB ILE 22 14.365 34.472 5.524
138 HG12 ILE 22 HG12 ILE 22 13.192 33.235 3.029
139 HG13 ILE 22 HG13 ILE 22 12.778 32.710 4.657
140 HG21 ILE 22 HG21 ILE 22 14.471 35.094 2.713
141 HG22 ILE 22 HG22 ILE 22 15.102 36.000 4.089
142 HG23 ILE 22 HG23 ILE 22 16.081 34.738 3.341
143 HD11 ILE 22 HD11 ILE 22 12.517 35.591 4.179
144 HD12 ILE 22 HD12 ILE 22 11.417 34.567 3.256
145 HD13 ILE 22 HD13 ILE 22 11.443 34.470 5.017
146 H ALA 23 H ALA 23 15.946 30.369 5.176
147 HA ALA 23 HA ALA 23 13.964 29.885 7.169
148 HB1 ALA 23 HB1 ALA 23 14.859 28.153 5.620
149 HB2 ALA 23 HB2 ALA 23 16.372 28.191 6.525
150 HB3 ALA 23 HB3 ALA 23 14.883 27.678 7.318
151 H GLY 24 H GLY 24 14.063 30.625 9.183
152 HA2 GLY 24 HA2 GLY 24 14.877 30.989 11.309
153 HA3 GLY 24 HA3 GLY 24 16.338 30.131 10.842
154 H MET 25 H MET 25 15.423 32.738 8.819
155 HA MET 25 HA MET 25 17.736 34.252 9.733
156 HB2 MET 25 HB2 MET 25 15.952 34.471 7.314
157 HB3 MET 25 HB3 MET 25 17.177 35.674 7.694
158 HG2 MET 25 HG2 MET 25 17.742 32.747 7.290
159 HG3 MET 25 HG3 MET 25 17.890 33.976 6.035
160 HE1 MET 25 HE1 MET 25 20.538 35.397 5.842
161 HE2 MET 25 HE2 MET 25 21.462 33.928 6.159
162 HE3 MET 25 HE3 MET 25 19.917 33.833 5.315
163 H SER 26 H SER 26 17.233 36.802 9.280
164 HA SER 26 HA SER 26 15.262 37.458 11.327
165 HB2 SER 26 HB2 SER 26 16.302 39.724 11.240
166 HB3 SER 26 HB3 SER 26 17.462 38.445 11.599
167 HG SER 26 HG SER 26 18.398 39.673 10.040
168 H ALA 27 H ALA 27 14.065 36.605 9.009
169 HA ALA 27 HA ALA 27 13.235 38.995 7.547
170 HB1 ALA 27 HB1 ALA 27 11.871 36.609 6.716
171 HB2 ALA 27 HB2 ALA 27 12.991 37.629 5.814
172 HB3 ALA 27 HB3 ALA 27 13.607 36.315 6.815
173 H ALA 28 H ALA 28 10.830 39.099 7.013
174 HA ALA 28 HA ALA 28 9.383 39.408 9.427
175 HB1 ALA 28 HB1 ALA 28 8.785 39.749 6.536
176 HB2 ALA 28 HB2 ALA 28 7.430 39.648 7.661
177 HB3 ALA 28 HB3 ALA 28 8.654 40.902 7.865
178 H THR 29 H THR 29 8.382 37.905 10.578
179 HA THR 29 HA THR 29 7.362 35.511 9.192
180 HB THR 29 HB THR 29 8.016 35.333 12.086
181 HG1 THR 29 HG1 THR 29 10.067 35.716 11.788
182 HG21 THR 29 HG21 THR 29 8.427 33.067 11.591
183 HG22 THR 29 HG22 THR 29 7.031 33.499 10.603
184 HG23 THR 29 HG23 THR 29 8.632 33.394 9.870
185 H PHE 30 H PHE 30 5.312 34.863 9.624
186 HA PHE 30 HA PHE 30 3.851 35.983 11.866
187 HB2 PHE 30 HB2 PHE 30 2.077 36.948 10.534
188 HB3 PHE 30 HB3 PHE 30 3.609 37.668 10.049
189 HD1 PHE 30 HD1 PHE 30 4.795 36.476 8.028
190 HD2 PHE 30 HD2 PHE 30 0.639 36.206 8.905
191 HE1 PHE 30 HE1 PHE 30 4.345 35.858 5.689
192 HE2 PHE 30 HE2 PHE 30 0.182 35.587 6.568
193 HZ PHE 30 HZ PHE 30 2.036 35.413 4.956
194 H LYS 31 H LYS 31 2.033 34.798 12.438
195 HA LYS 31 HA LYS 31 1.945 32.114 11.329
196 HB2 LYS 31 HB2 LYS 31 1.963 32.222 13.714
197 HB3 LYS 31 HB3 LYS 31 0.653 33.396 13.735
198 HG2 LYS 31 HG2 LYS 31 -0.871 31.680 12.851
199 HG3 LYS 31 HG3 LYS 31 0.447 30.508 12.905
200 HD2 LYS 31 HD2 LYS 31 0.346 30.298 15.159
201 HD3 LYS 31 HD3 LYS 31 -0.087 31.992 15.404
202 HE2 LYS 31 HE2 LYS 31 -1.970 29.914 14.299
203 HE3 LYS 31 HE3 LYS 31 -1.879 30.348 16.005
204 HZ1 LYS 31 HZ1 LYS 31 -2.217 32.539 14.117
205 HZ2 LYS 31 HZ2 LYS 31 -3.545 31.510 14.319
206 HZ3 LYS 31 HZ3 LYS 31 -2.891 32.319 15.653
207 H CYS 32 H CYS 32 0.481 31.432 9.911
208 HA CYS 32 HA CYS 32 -1.445 33.171 8.794
209 HB2 CYS 32 HB2 CYS 32 -0.320 31.211 7.649
210 HB3 CYS 32 HB3 CYS 32 -1.414 30.162 8.542
211 HG CYS 32 HG CYS 32 -2.152 32.342 6.035
212 HA PRO 33 HA PRO 33 -4.651 32.634 11.820
213 HB2 PRO 33 HB2 PRO 33 -6.558 34.034 10.488
214 HB3 PRO 33 HB3 PRO 33 -5.229 34.809 11.358
215 HG2 PRO 33 HG2 PRO 33 -5.506 34.251 8.430
216 HG3 PRO 33 HG3 PRO 33 -4.907 35.711 9.239
217 HD2 PRO 33 HD2 PRO 33 -3.251 33.856 8.167
218 HD3 PRO 33 HD3 PRO 33 -2.820 34.805 9.605
219 H ASP 34 H ASP 34 -4.508 31.338 8.711
220 HA ASP 34 HA ASP 34 -7.158 30.137 8.791
221 HB2 ASP 34 HB2 ASP 34 -5.943 31.009 6.676
222 HB3 ASP 34 HB3 ASP 34 -5.036 29.501 6.758
223 H CYS 35 H CYS 35 -3.790 28.982 8.581
224 HA CYS 35 HA CYS 35 -4.684 26.444 9.777
225 HB2 CYS 35 HB2 CYS 35 -2.488 25.562 8.830
226 HB3 CYS 35 HB3 CYS 35 -3.737 25.970 7.661
227 HG CYS 35 HG CYS 35 -1.165 26.699 6.711
228 H GLY 36 H GLY 36 -2.086 28.861 9.824
229 HA2 GLY 36 HA2 GLY 36 -1.227 29.688 11.909
230 HA3 GLY 36 HA3 GLY 36 -1.592 28.128 12.632
231 H GLN 37 H GLN 37 -0.132 28.127 9.515
232 HA GLN 37 HA GLN 37 2.224 26.852 10.598
233 HB2 GLN 37 HB2 GLN 37 1.514 27.494 7.730
234 HB3 GLN 37 HB3 GLN 37 2.827 26.451 8.260
235 HG2 GLN 37 HG2 GLN 37 -0.036 25.891 8.954
236 HG3 GLN 37 HG3 GLN 37 0.700 25.330 7.454
237 HE21 GLN 37 HE21 GLN 37 -0.362 23.641 9.420
238 HE22 GLN 37 HE22 GLN 37 0.928 22.705 10.087
239 H GLU 38 H GLU 38 4.083 27.829 11.040
240 HA GLU 38 HA GLU 38 4.491 30.554 10.984
241 HB2 GLU 38 HB2 GLU 38 5.913 28.387 11.885
242 HB3 GLU 38 HB3 GLU 38 6.952 29.001 10.608
243 HG2 GLU 38 HG2 GLU 38 7.735 30.496 12.031
244 HG3 GLU 38 HG3 GLU 38 6.139 31.244 12.070
245 H ILE 39 H ILE 39 4.500 31.876 9.298
246 HA ILE 39 HA ILE 39 5.526 30.922 6.723
247 HB ILE 39 HB ILE 39 4.110 33.536 7.180
248 HG12 ILE 39 HG12 ILE 39 2.853 30.855 6.551
249 HG13 ILE 39 HG13 ILE 39 2.693 31.730 8.071
250 HG21 ILE 39 HG21 ILE 39 5.383 32.513 4.986
251 HG22 ILE 39 HG22 ILE 39 3.704 32.059 4.694
252 HG23 ILE 39 HG23 ILE 39 4.127 33.751 4.953
253 HD11 ILE 39 HD11 ILE 39 0.861 31.839 6.166
254 HD12 ILE 39 HD12 ILE 39 1.209 33.212 7.217
255 HD13 ILE 39 HD13 ILE 39 1.901 33.144 5.596
256 H SER 40 H SER 40 7.302 31.748 5.776
257 HA SER 40 HA SER 40 8.729 33.876 7.230
258 HB2 SER 40 HB2 SER 40 9.617 31.360 5.954
259 HB3 SER 40 HB3 SER 40 10.659 32.757 5.684
260 HG SER 40 HG SER 40 10.245 32.949 8.157
261 H ARG 41 H ARG 41 8.796 35.776 6.250
262 HA ARG 41 HA ARG 41 8.627 35.851 3.308
263 HB2 ARG 41 HB2 ARG 41 7.507 37.688 5.409
264 HB3 ARG 41 HB3 ARG 41 7.770 38.248 3.763
265 HG2 ARG 41 HG2 ARG 41 6.283 36.512 2.921
266 HG3 ARG 41 HG3 ARG 41 6.035 35.922 4.566
267 HD2 ARG 41 HD2 ARG 41 4.236 37.441 3.623
268 HD3 ARG 41 HD3 ARG 41 4.886 37.876 5.204
269 HE ARG 41 HE ARG 41 6.186 39.174 2.983
270 HH11 ARG 41 HH11 ARG 41 3.586 39.320 5.293
271 HH12 ARG 41 HH12 ARG 41 3.418 41.042 5.191
272 HH21 ARG 41 HH21 ARG 41 5.975 41.441 2.841
273 HH22 ARG 41 HH22 ARG 41 4.777 42.247 3.795
274 H CYS 42 H CYS 42 10.300 36.693 2.251
275 HA CYS 42 HA CYS 42 12.608 37.600 3.652
276 HB2 CYS 42 HB2 CYS 42 12.399 36.395 1.337
277 HB3 CYS 42 HB3 CYS 42 12.223 38.030 0.710
278 HG CYS 42 HG CYS 42 14.749 38.346 0.443
279 H SER 43 H SER 43 13.709 39.670 3.176
280 HA SER 43 HA SER 43 12.222 41.861 3.951
281 HB2 SER 43 HB2 SER 43 14.545 42.430 2.196
282 HB3 SER 43 HB3 SER 43 14.172 43.040 3.808
283 HG SER 43 HG SER 43 15.918 41.667 3.976
284 H LYS 44 H LYS 44 12.931 40.704 0.705
285 HA LYS 44 HA LYS 44 11.916 42.950 -0.687
286 HB2 LYS 44 HB2 LYS 44 11.958 40.122 -1.730
287 HB3 LYS 44 HB3 LYS 44 12.062 41.615 -2.653
288 HG2 LYS 44 HG2 LYS 44 14.155 40.539 -0.773
289 HG3 LYS 44 HG3 LYS 44 14.220 40.519 -2.537
290 HD2 LYS 44 HD2 LYS 44 14.005 43.041 -0.901
291 HD3 LYS 44 HD3 LYS 44 15.538 42.355 -1.443
292 HE2 LYS 44 HE2 LYS 44 13.576 42.608 -3.582
293 HE3 LYS 44 HE3 LYS 44 13.981 44.152 -2.834
294 HZ1 LYS 44 HZ1 LYS 44 16.076 44.085 -3.619
295 HZ2 LYS 44 HZ2 LYS 44 16.219 42.407 -3.464
296 HZ3 LYS 44 HZ3 LYS 44 15.401 43.067 -4.790
297 H CYS 45 H CYS 45 10.442 40.037 0.591
298 HA CYS 45 HA CYS 45 8.013 40.057 -0.747
299 HB2 CYS 45 HB2 CYS 45 9.080 38.499 1.176
300 HB3 CYS 45 HB3 CYS 45 7.926 39.408 2.144
301 HG CYS 45 HG CYS 45 7.127 36.746 1.035
302 H ARG 46 H ARG 46 9.202 42.174 1.719
303 HA ARG 46 HA ARG 46 6.917 43.168 2.881
304 HB2 ARG 46 HB2 ARG 46 9.403 44.669 2.043
305 HB3 ARG 46 HB3 ARG 46 8.167 45.321 3.110
306 HG2 ARG 46 HG2 ARG 46 9.621 42.768 3.720
307 HG3 ARG 46 HG3 ARG 46 10.240 44.350 4.198
308 HD2 ARG 46 HD2 ARG 46 7.597 43.134 4.989
309 HD3 ARG 46 HD3 ARG 46 9.004 43.355 6.027
310 HE ARG 46 HE ARG 46 7.053 45.329 5.323
311 HH11 ARG 46 HH11 ARG 46 10.368 44.826 6.260
312 HH12 ARG 46 HH12 ARG 46 10.554 46.411 6.935
313 HH21 ARG 46 HH21 ARG 46 7.285 47.418 6.208
314 HH22 ARG 46 HH22 ARG 46 8.799 47.884 6.906
315 H LYS 47 H LYS 47 8.225 43.854 -0.307
316 HA LYS 47 HA LYS 47 6.383 45.974 -0.879
317 HB2 LYS 47 HB2 LYS 47 8.619 45.759 -1.957
318 HB3 LYS 47 HB3 LYS 47 8.038 44.331 -2.802
319 HG2 LYS 47 HG2 LYS 47 7.992 46.329 -4.213
320 HG3 LYS 47 HG3 LYS 47 6.380 45.653 -3.967
321 HD2 LYS 47 HD2 LYS 47 5.837 47.346 -2.371
322 HD3 LYS 47 HD3 LYS 47 7.502 47.931 -2.342
323 HE2 LYS 47 HE2 LYS 47 6.137 49.419 -3.670
324 HE3 LYS 47 HE3 LYS 47 7.284 48.577 -4.712
325 HZ1 LYS 47 HZ1 LYS 47 4.411 48.497 -4.712
326 HZ2 LYS 47 HZ2 LYS 47 5.503 48.106 -5.943
327 HZ3 LYS 47 HZ3 LYS 47 5.117 46.960 -4.760
328 H GLN 48 H GLN 48 6.483 42.510 -1.406
329 HA GLN 48 HA GLN 48 4.167 42.504 -3.123
330 HB2 GLN 48 HB2 GLN 48 5.628 40.231 -1.768
331 HB3 GLN 48 HB3 GLN 48 4.352 40.042 -2.963
332 HG2 GLN 48 HG2 GLN 48 6.880 41.547 -3.544
333 HG3 GLN 48 HG3 GLN 48 6.742 39.804 -3.770
334 HE21 GLN 48 HE21 GLN 48 6.045 42.894 -5.033
335 HE22 GLN 48 HE22 GLN 48 5.221 42.380 -6.462
336 H SER 49 H SER 49 4.504 43.067 0.066
337 HA SER 49 HA SER 49 2.719 41.424 1.398
338 HB2 SER 49 HB2 SER 49 4.225 43.405 2.243
339 HB3 SER 49 HB3 SER 49 2.761 44.359 2.006
340 HG SER 49 HG SER 49 1.713 43.125 3.500
341 H ASN 50 H ASN 50 2.102 44.066 -0.797
342 HA ASN 50 HA ASN 50 -0.519 44.705 -0.223
343 HB2 ASN 50 HB2 ASN 50 0.513 44.421 -3.044
344 HB3 ASN 50 HB3 ASN 50 -0.691 45.554 -2.438
345 HD21 ASN 50 HD21 ASN 50 1.675 46.166 -3.919
346 HD22 ASN 50 HD22 ASN 50 2.653 47.180 -2.919
347 H LEU 51 H LEU 51 0.761 41.853 -1.764
348 HA LEU 51 HA LEU 51 -1.819 40.560 -1.547
349 HB2 LEU 51 HB2 LEU 51 -0.623 41.364 -4.122
350 HB3 LEU 51 HB3 LEU 51 -1.250 39.720 -4.040
351 HG LEU 51 HG LEU 51 -2.880 42.168 -3.379
352 HD11 LEU 51 HD11 LEU 51 -3.238 40.619 -5.895
353 HD12 LEU 51 HD12 LEU 51 -3.641 42.297 -5.533
354 HD13 LEU 51 HD13 LEU 51 -1.963 41.834 -5.816
355 HD21 LEU 51 HD21 LEU 51 -3.751 39.361 -4.045
356 HD22 LEU 51 HD22 LEU 51 -3.574 39.977 -2.402
357 HD23 LEU 51 HD23 LEU 51 -4.760 40.697 -3.491
358 H TYR 52 H TYR 52 -0.944 39.095 -0.139
359 HA TYR 52 HA TYR 52 1.314 37.477 -1.105
360 HB2 TYR 52 HB2 TYR 52 1.817 36.943 1.146
361 HB3 TYR 52 HB3 TYR 52 1.456 38.666 1.143
362 HD1 TYR 52 HD1 TYR 52 -0.950 39.352 1.789
363 HD2 TYR 52 HD2 TYR 52 0.705 35.521 2.620
364 HE1 TYR 52 HE1 TYR 52 -2.646 39.005 3.535
365 HE2 TYR 52 HE2 TYR 52 -0.988 35.163 4.368
366 HH TYR 52 HH TYR 52 -3.744 36.965 4.654
367 H GLU 53 H GLU 53 1.176 35.149 -0.060
368 HA GLU 53 HA GLU 53 -1.478 34.036 0.043
369 HB2 GLU 53 HB2 GLU 53 -1.262 34.153 -2.351
370 HB3 GLU 53 HB3 GLU 53 0.345 33.441 -2.290
371 HG2 GLU 53 HG2 GLU 53 -0.671 31.361 -1.397
372 HG3 GLU 53 HG3 GLU 53 -2.260 32.084 -1.642
373 H CYS 54 H CYS 54 -1.342 32.648 1.666
374 HA CYS 54 HA CYS 54 1.030 31.665 2.759
375 HB2 CYS 54 HB2 CYS 54 -1.141 31.796 3.961
376 HB3 CYS 54 HB3 CYS 54 -1.730 30.449 2.996
377 HG CYS 54 HG CYS 54 1.138 29.748 4.537
378 HA PRO 55 HA PRO 55 1.882 28.588 -0.390
379 HB2 PRO 55 HB2 PRO 55 4.317 27.907 0.598
380 HB3 PRO 55 HB3 PRO 55 4.045 29.361 -0.370
381 HG2 PRO 55 HG2 PRO 55 4.258 29.076 2.603
382 HG3 PRO 55 HG3 PRO 55 4.961 30.313 1.544
383 HD2 PRO 55 HD2 PRO 55 2.716 30.743 2.995
384 HD3 PRO 55 HD3 PRO 55 2.990 31.502 1.414
385 H ASP 56 H ASP 56 1.397 28.254 2.956
386 HA ASP 56 HA ASP 56 1.923 25.418 3.086
387 HB2 ASP 56 HB2 ASP 56 0.400 27.050 5.114
388 HB3 ASP 56 HB3 ASP 56 1.292 25.553 5.372
389 H CYS 57 H CYS 57 -0.999 27.440 3.404
390 HA CYS 57 HA CYS 57 -2.593 25.096 2.608
391 HB2 CYS 57 HB2 CYS 57 -4.494 26.199 3.723
392 HB3 CYS 57 HB3 CYS 57 -3.156 25.925 4.833
393 HG CYS 57 HG CYS 57 -3.824 28.321 5.707
394 H GLY 58 H GLY 58 -1.174 27.155 0.917
395 HA2 GLY 58 HA2 GLY 58 -1.592 28.502 -0.909
396 HA3 GLY 58 HA3 GLY 58 -2.825 27.295 -1.243
397 H PHE 59 H PHE 59 -2.679 29.651 1.400
398 HA PHE 59 HA PHE 59 -5.352 30.558 0.665
399 HB2 PHE 59 HB2 PHE 59 -5.105 30.022 2.984
400 HB3 PHE 59 HB3 PHE 59 -3.644 30.996 3.116
401 HD1 PHE 59 HD1 PHE 59 -6.973 31.758 1.629
402 HD2 PHE 59 HD2 PHE 59 -4.083 32.691 4.611
403 HE1 PHE 59 HE1 PHE 59 -8.328 33.686 2.335
404 HE2 PHE 59 HE2 PHE 59 -5.434 34.620 5.323
405 HZ PHE 59 HZ PHE 59 -7.559 35.121 4.184
406 H MET 60 H MET 60 -5.281 32.035 -0.930
407 HA MET 60 HA MET 60 -3.194 34.006 -1.101
408 HB2 MET 60 HB2 MET 60 -5.780 33.797 -2.654
409 HB3 MET 60 HB3 MET 60 -4.409 34.820 -3.062
410 HG2 MET 60 HG2 MET 60 -3.177 33.094 -3.868
411 HG3 MET 60 HG3 MET 60 -3.901 31.919 -2.773
412 HE1 MET 60 HE1 MET 60 -4.382 30.184 -3.772
413 HE2 MET 60 HE2 MET 60 -6.076 30.043 -4.243
414 HE3 MET 60 HE3 MET 60 -4.810 29.957 -5.468
415 H GLY 61 H GLY 61 -3.152 35.889 -0.071
416 HA2 GLY 61 HA2 GLY 61 -5.713 37.161 0.643
417 HA3 GLY 61 HA3 GLY 61 -4.451 36.975 1.852
418 HA PRO 62 HA PRO 62 -4.040 41.057 -0.471
419 HB2 PRO 62 HB2 PRO 62 -4.475 42.679 1.662
420 HB3 PRO 62 HB3 PRO 62 -5.776 42.099 0.615
421 HG2 PRO 62 HG2 PRO 62 -4.893 41.074 3.286
422 HG3 PRO 62 HG3 PRO 62 -6.538 41.329 2.673
423 HD2 PRO 62 HD2 PRO 62 -5.371 38.887 2.741
424 HD3 PRO 62 HD3 PRO 62 -6.538 39.353 1.486
Start of MODEL 13
1 H1 GLY 1 H GLY 1 4.714 25.353 -10.045
2 HA2 GLY 1 HA2 GLY 1 5.575 23.309 -10.960
3 HA3 GLY 1 HA3 GLY 1 6.854 23.353 -9.755
4 H ALA 2 H ALA 2 6.331 21.169 -9.226
5 HA ALA 2 HA ALA 2 3.790 20.827 -7.785
6 HB1 ALA 2 HB1 ALA 2 4.200 19.246 -9.619
7 HB2 ALA 2 HB2 ALA 2 5.676 18.710 -8.815
8 HB3 ALA 2 HB3 ALA 2 4.108 18.435 -8.056
9 H MET 3 H MET 3 3.940 21.113 -5.664
10 HA MET 3 HA MET 3 6.459 20.835 -4.282
11 HB2 MET 3 HB2 MET 3 5.068 22.657 -3.604
12 HB3 MET 3 HB3 MET 3 3.686 21.596 -3.368
13 HG2 MET 3 HG2 MET 3 4.514 20.738 -1.390
14 HG3 MET 3 HG3 MET 3 6.173 21.194 -1.769
15 HE1 MET 3 HE1 MET 3 4.478 21.882 1.164
16 HE2 MET 3 HE2 MET 3 3.446 23.298 0.961
17 HE3 MET 3 HE3 MET 3 3.106 21.821 0.059
18 H GLY 4 H GLY 4 7.044 19.265 -2.842
19 HA2 GLY 4 HA2 GLY 4 5.306 16.886 -2.787
20 HA3 GLY 4 HA3 GLY 4 7.052 16.868 -2.589
21 H SER 5 H SER 5 5.207 15.611 -0.846
22 HA SER 5 HA SER 5 5.312 17.298 1.558
23 HB2 SER 5 HB2 SER 5 3.122 16.227 0.807
24 HB3 SER 5 HB3 SER 5 3.831 14.682 1.276
25 HG SER 5 HG SER 5 2.539 15.801 2.917
26 H GLU 6 H GLU 6 5.720 13.850 0.723
27 HA GLU 6 HA GLU 6 7.185 13.205 3.041
28 HB2 GLU 6 HB2 GLU 6 5.992 11.693 1.245
29 HB3 GLU 6 HB3 GLU 6 7.582 11.690 0.494
30 HG2 GLU 6 HG2 GLU 6 8.408 11.005 2.857
31 HG3 GLU 6 HG3 GLU 6 6.725 10.548 3.113
32 H SER 7 H SER 7 8.212 14.064 -0.239
33 HA SER 7 HA SER 7 10.959 13.658 0.096
34 HB2 SER 7 HB2 SER 7 9.271 15.250 -1.775
35 HB3 SER 7 HB3 SER 7 10.997 15.611 -1.720
36 HG SER 7 HG SER 7 11.183 13.953 -2.988
37 H GLU 8 H GLU 8 9.091 16.682 0.373
38 HA GLU 8 HA GLU 8 11.206 18.316 1.183
39 HB2 GLU 8 HB2 GLU 8 8.242 18.494 1.718
40 HB3 GLU 8 HB3 GLU 8 9.377 19.749 2.195
41 HG2 GLU 8 HG2 GLU 8 8.899 18.798 -0.620
42 HG3 GLU 8 HG3 GLU 8 8.257 20.276 0.093
43 H GLN 9 H GLN 9 11.739 19.164 3.266
44 HA GLN 9 HA GLN 9 12.088 17.204 5.243
45 HB2 GLN 9 HB2 GLN 9 12.229 20.207 5.564
46 HB3 GLN 9 HB3 GLN 9 12.933 19.015 6.648
47 HG2 GLN 9 HG2 GLN 9 14.261 18.222 4.613
48 HG3 GLN 9 HG3 GLN 9 13.768 19.740 3.866
49 HE21 GLN 9 HE21 GLN 9 16.400 19.238 4.196
50 HE22 GLN 9 HE22 GLN 9 17.058 20.249 5.432
51 H ARG 10 H ARG 10 11.471 17.962 7.659
52 HA ARG 10 HA ARG 10 8.536 18.209 7.652
53 HB2 ARG 10 HB2 ARG 10 10.258 16.923 9.775
54 HB3 ARG 10 HB3 ARG 10 8.502 16.900 9.680
55 HG2 ARG 10 HG2 ARG 10 10.390 15.597 7.728
56 HG3 ARG 10 HG3 ARG 10 9.464 14.775 8.986
57 HD2 ARG 10 HD2 ARG 10 7.441 15.977 7.794
58 HD3 ARG 10 HD3 ARG 10 8.548 15.977 6.421
59 HE ARG 10 HE ARG 10 8.566 13.405 7.410
60 HH11 ARG 10 HH11 ARG 10 6.206 15.603 6.099
61 HH12 ARG 10 HH12 ARG 10 5.211 14.348 5.439
62 HH21 ARG 10 HH21 ARG 10 7.265 11.743 6.546
63 HH22 ARG 10 HH22 ARG 10 5.814 12.152 5.695
64 H HIS 11 H HIS 11 11.521 19.293 9.142
65 HA HIS 11 HA HIS 11 9.999 21.421 10.499
66 HB2 HIS 11 HB2 HIS 11 12.202 19.681 11.485
67 HB3 HIS 11 HB3 HIS 11 12.205 21.363 12.006
68 HD1 HIS 11 HD1 HIS 11 11.390 21.260 14.349
69 HD2 HIS 11 HD2 HIS 11 9.066 18.961 11.785
70 HE1 HIS 11 HE1 HIS 11 9.465 20.437 15.742
71 H ALA 12 H ALA 12 10.250 23.025 9.010
72 HA ALA 12 HA ALA 12 12.648 24.487 8.984
73 HB1 ALA 12 HB1 ALA 12 13.838 23.532 7.374
74 HB2 ALA 12 HB2 ALA 12 12.548 22.370 7.061
75 HB3 ALA 12 HB3 ALA 12 12.555 23.925 6.229
76 H HIS 13 H HIS 13 11.967 26.509 8.791
77 HA HIS 13 HA HIS 13 9.396 27.080 7.591
78 HB2 HIS 13 HB2 HIS 13 11.349 29.068 8.752
79 HB3 HIS 13 HB3 HIS 13 9.613 29.267 8.530
80 HD1 HIS 13 HD1 HIS 13 8.171 28.681 10.475
81 HD2 HIS 13 HD2 HIS 13 11.998 27.102 10.823
82 HE1 HIS 13 HE1 HIS 13 8.278 27.679 12.779
83 H GLN 14 H GLN 14 9.397 27.090 5.420
84 HA GLN 14 HA GLN 14 11.558 28.514 4.028
85 HB2 GLN 14 HB2 GLN 14 9.810 26.222 3.327
86 HB3 GLN 14 HB3 GLN 14 10.236 27.318 2.020
87 HG2 GLN 14 HG2 GLN 14 12.403 26.685 2.005
88 HG3 GLN 14 HG3 GLN 14 12.449 26.407 3.745
89 HE21 GLN 14 HE21 GLN 14 11.514 25.065 0.655
90 HE22 GLN 14 HE22 GLN 14 11.458 23.416 1.170
91 H CYS 15 H CYS 15 10.833 29.640 1.972
92 HA CYS 15 HA CYS 15 8.933 31.635 2.656
93 HB2 CYS 15 HB2 CYS 15 10.963 31.920 1.159
94 HB3 CYS 15 HB3 CYS 15 10.045 31.104 -0.100
95 HG CYS 15 HG CYS 15 9.412 33.452 -0.997
96 H VAL 16 H VAL 16 6.850 31.931 2.036
97 HA VAL 16 HA VAL 16 5.353 29.654 1.217
98 HB VAL 16 HB VAL 16 3.404 31.078 1.311
99 HG11 VAL 16 HG11 VAL 16 4.655 30.342 3.422
100 HG12 VAL 16 HG12 VAL 16 5.165 32.026 3.547
101 HG13 VAL 16 HG13 VAL 16 3.450 31.619 3.585
102 HG21 VAL 16 HG21 VAL 16 3.659 33.515 1.783
103 HG22 VAL 16 HG22 VAL 16 5.380 33.352 1.432
104 HG23 VAL 16 HG23 VAL 16 4.189 33.034 0.171
105 H SER 17 H SER 17 6.759 32.357 -0.446
106 HA SER 17 HA SER 17 5.186 32.071 -2.832
107 HB2 SER 17 HB2 SER 17 5.982 34.238 -2.632
108 HB3 SER 17 HB3 SER 17 7.551 33.716 -2.019
109 HG SER 17 HG SER 17 8.247 33.808 -3.987
110 H CYS 18 H CYS 18 8.666 31.590 -2.200
111 HA CYS 18 HA CYS 18 8.688 29.597 -4.366
112 HB2 CYS 18 HB2 CYS 18 10.175 31.478 -4.785
113 HB3 CYS 18 HB3 CYS 18 10.946 31.252 -3.219
114 HG CYS 18 HG CYS 18 12.486 29.207 -3.850
115 H GLY 19 H GLY 19 10.858 30.159 -1.604
116 HA2 GLY 19 HA2 GLY 19 10.270 28.280 0.185
117 HA3 GLY 19 HA3 GLY 19 10.916 27.288 -1.113
118 H ILE 20 H ILE 20 12.005 30.506 -0.144
119 HA ILE 20 HA ILE 20 14.718 29.899 -0.242
120 HB ILE 20 HB ILE 20 13.355 32.030 1.410
121 HG12 ILE 20 HG12 ILE 20 14.559 33.239 -0.754
122 HG13 ILE 20 HG13 ILE 20 13.953 31.738 -1.445
123 HG21 ILE 20 HG21 ILE 20 15.613 31.625 2.201
124 HG22 ILE 20 HG22 ILE 20 16.236 31.766 0.557
125 HG23 ILE 20 HG23 ILE 20 15.531 33.171 1.357
126 HD11 ILE 20 HD11 ILE 20 12.499 33.945 -1.333
127 HD12 ILE 20 HD12 ILE 20 11.785 32.338 -1.191
128 HD13 ILE 20 HD13 ILE 20 12.101 33.294 0.257
129 H ASN 21 H ASN 21 16.248 29.335 1.275
130 HA ASN 21 HA ASN 21 15.308 27.758 3.481
131 HB2 ASN 21 HB2 ASN 21 17.336 27.261 2.002
132 HB3 ASN 21 HB3 ASN 21 18.180 28.497 2.930
133 HD21 ASN 21 HD21 ASN 21 16.200 25.595 3.407
134 HD22 ASN 21 HD22 ASN 21 17.104 24.992 4.750
135 H ILE 22 H ILE 22 14.275 29.968 4.230
136 HA ILE 22 HA ILE 22 16.155 31.438 5.933
137 HB ILE 22 HB ILE 22 14.312 33.047 6.260
138 HG12 ILE 22 HG12 ILE 22 12.842 31.289 4.283
139 HG13 ILE 22 HG13 ILE 22 12.429 31.499 5.982
140 HG21 ILE 22 HG21 ILE 22 14.263 33.010 3.373
141 HG22 ILE 22 HG22 ILE 22 15.055 34.140 4.471
142 HG23 ILE 22 HG23 ILE 22 15.874 32.653 3.994
143 HD11 ILE 22 HD11 ILE 22 12.542 34.066 4.807
144 HD12 ILE 22 HD12 ILE 22 11.594 33.025 3.746
145 HD13 ILE 22 HD13 ILE 22 11.140 33.204 5.440
146 H ALA 23 H ALA 23 15.415 28.765 6.636
147 HA ALA 23 HA ALA 23 13.428 28.900 8.717
148 HB1 ALA 23 HB1 ALA 23 13.907 26.584 9.101
149 HB2 ALA 23 HB2 ALA 23 13.851 26.856 7.360
150 HB3 ALA 23 HB3 ALA 23 15.405 26.691 8.176
151 H GLY 24 H GLY 24 13.820 29.843 10.607
152 HA2 GLY 24 HA2 GLY 24 14.853 30.373 12.591
153 HA3 GLY 24 HA3 GLY 24 15.983 29.066 12.268
154 H MET 25 H MET 25 15.723 31.456 9.828
155 HA MET 25 HA MET 25 18.356 32.496 10.605
156 HB2 MET 25 HB2 MET 25 16.926 32.402 7.950
157 HB3 MET 25 HB3 MET 25 18.411 33.308 8.205
158 HG2 MET 25 HG2 MET 25 18.167 30.362 8.738
159 HG3 MET 25 HG3 MET 25 18.675 31.031 7.189
160 HE1 MET 25 HE1 MET 25 20.573 31.131 6.504
161 HE2 MET 25 HE2 MET 25 21.863 32.104 7.211
162 HE3 MET 25 HE3 MET 25 21.903 30.347 7.357
163 H SER 26 H SER 26 15.764 33.903 8.624
164 HA SER 26 HA SER 26 14.951 35.883 10.424
165 HB2 SER 26 HB2 SER 26 16.120 37.823 9.097
166 HB3 SER 26 HB3 SER 26 16.986 37.003 10.395
167 HG SER 26 HG SER 26 18.385 36.971 8.734
168 H ALA 27 H ALA 27 13.046 36.565 9.703
169 HA ALA 27 HA ALA 27 12.503 37.500 7.123
170 HB1 ALA 27 HB1 ALA 27 12.663 34.740 7.127
171 HB2 ALA 27 HB2 ALA 27 10.932 35.062 7.215
172 HB3 ALA 27 HB3 ALA 27 11.890 35.742 5.899
173 H ALA 28 H ALA 28 10.118 37.786 6.747
174 HA ALA 28 HA ALA 28 8.912 38.899 9.037
175 HB1 ALA 28 HB1 ALA 28 7.884 38.303 6.279
176 HB2 ALA 28 HB2 ALA 28 6.869 39.034 7.522
177 HB3 ALA 28 HB3 ALA 28 8.329 39.860 6.976
178 H THR 29 H THR 29 8.329 37.643 10.704
179 HA THR 29 HA THR 29 6.949 35.111 10.175
180 HB THR 29 HB THR 29 7.308 35.461 12.960
181 HG1 THR 29 HG1 THR 29 9.386 36.092 13.164
182 HG21 THR 29 HG21 THR 29 8.751 33.520 12.743
183 HG22 THR 29 HG22 THR 29 7.350 33.342 11.687
184 HG23 THR 29 HG23 THR 29 8.912 33.802 11.010
185 H PHE 30 H PHE 30 4.808 35.243 10.072
186 HA PHE 30 HA PHE 30 3.416 36.906 12.060
187 HB2 PHE 30 HB2 PHE 30 1.655 37.282 10.269
188 HB3 PHE 30 HB3 PHE 30 3.182 38.125 10.035
189 HD1 PHE 30 HD1 PHE 30 4.814 37.268 8.368
190 HD2 PHE 30 HD2 PHE 30 0.875 35.692 8.709
191 HE1 PHE 30 HE1 PHE 30 5.023 36.271 6.128
192 HE2 PHE 30 HE2 PHE 30 1.078 34.692 6.471
193 HZ PHE 30 HZ PHE 30 3.154 34.980 5.177
194 H LYS 31 H LYS 31 1.243 36.199 12.573
195 HA LYS 31 HA LYS 31 1.024 33.282 12.443
196 HB2 LYS 31 HB2 LYS 31 0.932 34.162 14.674
197 HB3 LYS 31 HB3 LYS 31 -0.291 35.341 14.217
198 HG2 LYS 31 HG2 LYS 31 -1.923 33.604 13.901
199 HG3 LYS 31 HG3 LYS 31 -0.704 32.359 14.186
200 HD2 LYS 31 HD2 LYS 31 -0.882 32.552 16.409
201 HD3 LYS 31 HD3 LYS 31 -0.855 34.315 16.341
202 HE2 LYS 31 HE2 LYS 31 -3.236 34.291 15.685
203 HE3 LYS 31 HE3 LYS 31 -3.242 32.536 15.849
204 HZ1 LYS 31 HZ1 LYS 31 -3.732 32.831 17.975
205 HZ2 LYS 31 HZ2 LYS 31 -2.211 33.533 18.213
206 HZ3 LYS 31 HZ3 LYS 31 -3.546 34.508 17.854
207 H CYS 32 H CYS 32 -0.356 32.351 11.094
208 HA CYS 32 HA CYS 32 -2.078 33.827 9.410
209 HB2 CYS 32 HB2 CYS 32 -1.024 31.577 8.913
210 HB3 CYS 32 HB3 CYS 32 -2.247 30.862 9.957
211 HG CYS 32 HG CYS 32 -2.706 32.405 6.949
212 HA PRO 33 HA PRO 33 -5.518 34.284 12.173
213 HB2 PRO 33 HB2 PRO 33 -7.246 35.310 10.348
214 HB3 PRO 33 HB3 PRO 33 -5.936 36.254 11.067
215 HG2 PRO 33 HG2 PRO 33 -6.047 34.888 8.405
216 HG3 PRO 33 HG3 PRO 33 -5.420 36.496 8.813
217 HD2 PRO 33 HD2 PRO 33 -3.806 34.353 8.450
218 HD3 PRO 33 HD3 PRO 33 -3.419 35.658 9.590
219 H ASP 34 H ASP 34 -5.239 32.142 9.585
220 HA ASP 34 HA ASP 34 -7.954 31.108 9.803
221 HB2 ASP 34 HB2 ASP 34 -6.543 31.316 7.622
222 HB3 ASP 34 HB3 ASP 34 -5.780 29.829 8.176
223 H CYS 35 H CYS 35 -4.634 29.872 10.195
224 HA CYS 35 HA CYS 35 -5.721 27.789 11.972
225 HB2 CYS 35 HB2 CYS 35 -3.524 26.600 11.447
226 HB3 CYS 35 HB3 CYS 35 -4.701 26.695 10.142
227 HG CYS 35 HG CYS 35 -2.355 27.083 8.855
228 H GLY 36 H GLY 36 -2.996 30.014 11.495
229 HA2 GLY 36 HA2 GLY 36 -2.205 31.370 13.317
230 HA3 GLY 36 HA3 GLY 36 -2.675 30.085 14.421
231 H GLN 37 H GLN 37 -1.069 29.187 11.508
232 HA GLN 37 HA GLN 37 1.169 28.176 13.033
233 HB2 GLN 37 HB2 GLN 37 0.588 28.036 10.069
234 HB3 GLN 37 HB3 GLN 37 1.878 27.173 10.896
235 HG2 GLN 37 HG2 GLN 37 -0.977 26.813 11.710
236 HG3 GLN 37 HG3 GLN 37 -0.300 25.927 10.344
237 HE21 GLN 37 HE21 GLN 37 -1.052 25.586 13.437
238 HE22 GLN 37 HE22 GLN 37 0.158 24.465 13.950
239 H GLU 38 H GLU 38 3.313 28.776 12.821
240 HA GLU 38 HA GLU 38 3.807 31.511 12.278
241 HB2 GLU 38 HB2 GLU 38 5.069 29.678 13.774
242 HB3 GLU 38 HB3 GLU 38 6.088 29.609 12.343
243 HG2 GLU 38 HG2 GLU 38 7.199 31.248 13.398
244 HG3 GLU 38 HG3 GLU 38 5.958 32.265 12.669
245 H ILE 39 H ILE 39 3.876 32.380 10.321
246 HA ILE 39 HA ILE 39 4.860 30.769 8.072
247 HB ILE 39 HB ILE 39 3.406 33.405 7.908
248 HG12 ILE 39 HG12 ILE 39 2.262 30.610 7.711
249 HG13 ILE 39 HG13 ILE 39 2.012 31.720 9.055
250 HG21 ILE 39 HG21 ILE 39 3.070 32.878 5.615
251 HG22 ILE 39 HG22 ILE 39 4.780 32.619 5.959
252 HG23 ILE 39 HG23 ILE 39 3.687 31.241 5.836
253 HD11 ILE 39 HD11 ILE 39 0.163 31.520 7.322
254 HD12 ILE 39 HD12 ILE 39 0.679 33.145 7.775
255 HD13 ILE 39 HD13 ILE 39 1.227 32.437 6.256
256 H SER 40 H SER 40 6.879 31.090 7.442
257 HA SER 40 HA SER 40 8.152 33.677 8.015
258 HB2 SER 40 HB2 SER 40 9.505 31.060 7.328
259 HB3 SER 40 HB3 SER 40 10.277 32.531 7.919
260 HG SER 40 HG SER 40 9.897 31.820 9.847
261 H ARG 41 H ARG 41 8.126 35.020 6.342
262 HA ARG 41 HA ARG 41 8.536 33.908 3.643
263 HB2 ARG 41 HB2 ARG 41 7.058 36.418 4.457
264 HB3 ARG 41 HB3 ARG 41 7.329 35.896 2.799
265 HG2 ARG 41 HG2 ARG 41 6.076 33.795 3.362
266 HG3 ARG 41 HG3 ARG 41 5.648 34.554 4.897
267 HD2 ARG 41 HD2 ARG 41 4.977 35.551 2.132
268 HD3 ARG 41 HD3 ARG 41 3.856 34.867 3.309
269 HE ARG 41 HE ARG 41 5.191 37.125 4.383
270 HH11 ARG 41 HH11 ARG 41 2.677 36.213 2.154
271 HH12 ARG 41 HH12 ARG 41 1.797 37.694 2.339
272 HH21 ARG 41 HH21 ARG 41 4.041 39.078 4.635
273 HH22 ARG 41 HH22 ARG 41 2.574 39.323 3.750
274 H CYS 42 H CYS 42 10.320 34.501 2.599
275 HA CYS 42 HA CYS 42 12.286 36.123 3.806
276 HB2 CYS 42 HB2 CYS 42 12.468 34.241 1.977
277 HB3 CYS 42 HB3 CYS 42 12.299 35.590 0.860
278 HG CYS 42 HG CYS 42 14.682 36.606 1.142
279 H SER 43 H SER 43 13.296 38.039 2.748
280 HA SER 43 HA SER 43 11.587 40.195 2.659
281 HB2 SER 43 HB2 SER 43 14.328 39.808 1.457
282 HB3 SER 43 HB3 SER 43 13.487 41.357 1.400
283 HG SER 43 HG SER 43 13.417 41.322 3.678
284 H LYS 44 H LYS 44 12.589 38.079 0.048
285 HA LYS 44 HA LYS 44 11.801 39.538 -2.166
286 HB2 LYS 44 HB2 LYS 44 11.690 36.566 -1.646
287 HB3 LYS 44 HB3 LYS 44 11.350 37.277 -3.219
288 HG2 LYS 44 HG2 LYS 44 13.931 37.760 -1.765
289 HG3 LYS 44 HG3 LYS 44 13.689 36.383 -2.842
290 HD2 LYS 44 HD2 LYS 44 13.193 37.883 -4.687
291 HD3 LYS 44 HD3 LYS 44 13.341 39.280 -3.618
292 HE2 LYS 44 HE2 LYS 44 15.424 39.274 -4.563
293 HE3 LYS 44 HE3 LYS 44 15.721 38.251 -3.158
294 HZ1 LYS 44 HZ1 LYS 44 15.346 37.428 -5.973
295 HZ2 LYS 44 HZ2 LYS 44 16.660 37.119 -4.954
296 HZ3 LYS 44 HZ3 LYS 44 15.186 36.329 -4.697
297 H CYS 45 H CYS 45 9.856 37.906 0.213
298 HA CYS 45 HA CYS 45 7.458 37.569 -1.111
299 HB2 CYS 45 HB2 CYS 45 6.433 37.433 0.992
300 HB3 CYS 45 HB3 CYS 45 8.100 36.971 1.313
301 HG CYS 45 HG CYS 45 6.376 39.651 2.380
302 H ARG 46 H ARG 46 9.006 40.498 -0.118
303 HA ARG 46 HA ARG 46 6.947 42.294 0.126
304 HB2 ARG 46 HB2 ARG 46 9.684 42.581 -1.094
305 HB3 ARG 46 HB3 ARG 46 8.583 43.947 -0.977
306 HG2 ARG 46 HG2 ARG 46 8.512 43.715 1.438
307 HG3 ARG 46 HG3 ARG 46 9.562 42.299 1.345
308 HD2 ARG 46 HD2 ARG 46 10.947 44.130 1.929
309 HD3 ARG 46 HD3 ARG 46 11.268 43.779 0.231
310 HE ARG 46 HE ARG 46 9.258 45.779 0.560
311 HH11 ARG 46 HH11 ARG 46 12.694 45.221 0.560
312 HH12 ARG 46 HH12 ARG 46 13.090 46.849 0.119
313 HH21 ARG 46 HH21 ARG 46 9.766 47.925 -0.022
314 HH22 ARG 46 HH22 ARG 46 11.424 48.387 -0.211
315 H LYS 47 H LYS 47 8.246 40.865 -2.807
316 HA LYS 47 HA LYS 47 6.652 42.536 -4.543
317 HB2 LYS 47 HB2 LYS 47 8.357 40.102 -5.097
318 HB3 LYS 47 HB3 LYS 47 7.538 41.039 -6.339
319 HG2 LYS 47 HG2 LYS 47 9.587 42.166 -4.445
320 HG3 LYS 47 HG3 LYS 47 9.942 41.585 -6.073
321 HD2 LYS 47 HD2 LYS 47 8.410 43.243 -7.005
322 HD3 LYS 47 HD3 LYS 47 8.026 43.812 -5.379
323 HE2 LYS 47 HE2 LYS 47 10.178 44.694 -5.064
324 HE3 LYS 47 HE3 LYS 47 10.843 43.784 -6.420
325 HZ1 LYS 47 HZ1 LYS 47 8.718 45.740 -6.938
326 HZ2 LYS 47 HZ2 LYS 47 10.288 46.305 -6.657
327 HZ3 LYS 47 HZ3 LYS 47 9.989 45.241 -7.938
328 H GLN 48 H GLN 48 6.494 39.310 -3.176
329 HA GLN 48 HA GLN 48 4.226 38.532 -4.779
330 HB2 GLN 48 HB2 GLN 48 5.402 37.209 -2.328
331 HB3 GLN 48 HB3 GLN 48 4.234 36.492 -3.431
332 HG2 GLN 48 HG2 GLN 48 6.788 37.468 -4.575
333 HG3 GLN 48 HG3 GLN 48 6.827 36.002 -3.597
334 HE21 GLN 48 HE21 GLN 48 7.536 35.830 -6.184
335 HE22 GLN 48 HE22 GLN 48 6.323 35.007 -7.097
336 H SER 49 H SER 49 4.532 40.656 -2.330
337 HA SER 49 HA SER 49 2.580 40.038 -0.459
338 HB2 SER 49 HB2 SER 49 3.631 42.642 -1.529
339 HB3 SER 49 HB3 SER 49 2.317 42.626 -0.353
340 HG SER 49 HG SER 49 4.015 42.618 0.946
341 H ASN 50 H ASN 50 2.260 41.310 -3.707
342 HA ASN 50 HA ASN 50 -0.330 42.268 -3.678
343 HB2 ASN 50 HB2 ASN 50 1.009 42.555 -5.642
344 HB3 ASN 50 HB3 ASN 50 1.183 40.815 -5.851
345 HD21 ASN 50 HD21 ASN 50 0.089 40.154 -7.541
346 HD22 ASN 50 HD22 ASN 50 -1.482 40.693 -8.017
347 H LEU 51 H LEU 51 0.807 38.952 -3.771
348 HA LEU 51 HA LEU 51 -1.826 38.013 -3.032
349 HB2 LEU 51 HB2 LEU 51 -1.553 38.107 -5.626
350 HB3 LEU 51 HB3 LEU 51 -0.574 36.661 -5.384
351 HG LEU 51 HG LEU 51 -2.878 36.126 -6.025
352 HD11 LEU 51 HD11 LEU 51 -1.463 34.708 -4.444
353 HD12 LEU 51 HD12 LEU 51 -2.497 35.328 -3.157
354 HD13 LEU 51 HD13 LEU 51 -3.199 34.398 -4.480
355 HD21 LEU 51 HD21 LEU 51 -3.497 38.151 -4.117
356 HD22 LEU 51 HD22 LEU 51 -4.579 37.297 -5.217
357 HD23 LEU 51 HD23 LEU 51 -4.256 36.641 -3.612
358 H TYR 52 H TYR 52 -1.558 36.560 -1.481
359 HA TYR 52 HA TYR 52 0.809 34.816 -1.563
360 HB2 TYR 52 HB2 TYR 52 1.275 35.140 0.724
361 HB3 TYR 52 HB3 TYR 52 0.974 36.758 0.099
362 HD1 TYR 52 HD1 TYR 52 -1.621 37.460 0.247
363 HD2 TYR 52 HD2 TYR 52 0.309 34.607 2.744
364 HE1 TYR 52 HE1 TYR 52 -3.345 37.807 1.966
365 HE2 TYR 52 HE2 TYR 52 -1.410 34.946 4.470
366 HH TYR 52 HH TYR 52 -3.988 37.344 4.049
367 H GLU 53 H GLU 53 0.537 32.975 0.097
368 HA GLU 53 HA GLU 53 -2.173 32.164 0.640
369 HB2 GLU 53 HB2 GLU 53 -2.052 31.504 -1.683
370 HB3 GLU 53 HB3 GLU 53 -0.518 30.690 -1.413
371 HG2 GLU 53 HG2 GLU 53 -1.721 29.158 0.166
372 HG3 GLU 53 HG3 GLU 53 -3.226 29.886 -0.392
373 H CYS 54 H CYS 54 -2.165 31.107 2.507
374 HA CYS 54 HA CYS 54 0.231 30.428 3.842
375 HB2 CYS 54 HB2 CYS 54 -1.868 31.072 4.997
376 HB3 CYS 54 HB3 CYS 54 -2.590 29.549 4.490
377 HG CYS 54 HG CYS 54 0.226 29.641 6.418
378 HA PRO 55 HA PRO 55 0.780 26.488 1.783
379 HB2 PRO 55 HB2 PRO 55 3.177 25.945 2.936
380 HB3 PRO 55 HB3 PRO 55 2.996 27.061 1.578
381 HG2 PRO 55 HG2 PRO 55 3.247 27.660 4.500
382 HG3 PRO 55 HG3 PRO 55 4.020 28.466 3.122
383 HD2 PRO 55 HD2 PRO 55 1.843 29.482 4.372
384 HD3 PRO 55 HD3 PRO 55 2.142 29.711 2.637
385 H ASP 56 H ASP 56 0.396 27.206 5.094
386 HA ASP 56 HA ASP 56 0.691 24.506 6.058
387 HB2 ASP 56 HB2 ASP 56 -0.676 26.759 7.519
388 HB3 ASP 56 HB3 ASP 56 0.155 25.362 8.198
389 H CYS 57 H CYS 57 -2.073 26.751 5.819
390 HA CYS 57 HA CYS 57 -3.855 24.411 5.759
391 HB2 CYS 57 HB2 CYS 57 -5.643 25.981 6.443
392 HB3 CYS 57 HB3 CYS 57 -4.323 25.920 7.605
393 HG CYS 57 HG CYS 57 -4.013 28.336 5.305
394 H GLY 58 H GLY 58 -2.322 25.695 3.505
395 HA2 GLY 58 HA2 GLY 58 -2.679 26.442 1.349
396 HA3 GLY 58 HA3 GLY 58 -3.994 25.278 1.405
397 H PHE 59 H PHE 59 -3.689 28.299 3.220
398 HA PHE 59 HA PHE 59 -6.304 29.110 2.245
399 HB2 PHE 59 HB2 PHE 59 -5.982 29.364 4.602
400 HB3 PHE 59 HB3 PHE 59 -4.467 30.228 4.364
401 HD1 PHE 59 HD1 PHE 59 -7.811 30.669 2.787
402 HD2 PHE 59 HD2 PHE 59 -4.745 32.350 5.214
403 HE1 PHE 59 HE1 PHE 59 -9.027 32.807 2.835
404 HE2 PHE 59 HE2 PHE 59 -5.957 34.491 5.267
405 HZ PHE 59 HZ PHE 59 -8.100 34.722 4.076
406 H MET 60 H MET 60 -6.293 30.037 0.291
407 HA MET 60 HA MET 60 -4.089 31.695 -0.578
408 HB2 MET 60 HB2 MET 60 -6.711 31.088 -1.956
409 HB3 MET 60 HB3 MET 60 -5.306 31.847 -2.692
410 HG2 MET 60 HG2 MET 60 -4.187 29.897 -2.907
411 HG3 MET 60 HG3 MET 60 -4.875 29.212 -1.437
412 HE1 MET 60 HE1 MET 60 -6.205 30.318 -5.174
413 HE2 MET 60 HE2 MET 60 -4.729 29.358 -5.065
414 HE3 MET 60 HE3 MET 60 -6.206 28.635 -5.701
415 H GLY 61 H GLY 61 -3.949 33.797 -0.172
416 HA2 GLY 61 HA2 GLY 61 -6.446 35.352 0.048
417 HA3 GLY 61 HA3 GLY 61 -5.179 35.522 1.254
418 HA PRO 62 HA PRO 62 -4.620 38.566 -2.307
419 HB2 PRO 62 HB2 PRO 62 -4.997 40.830 -0.857
420 HB3 PRO 62 HB3 PRO 62 -6.317 39.975 -1.664
421 HG2 PRO 62 HG2 PRO 62 -5.480 39.886 1.209
422 HG3 PRO 62 HG3 PRO 62 -7.112 39.977 0.521
423 HD2 PRO 62 HD2 PRO 62 -6.041 37.662 1.430
424 HD3 PRO 62 HD3 PRO 62 -7.186 37.717 0.074
Start of MODEL 14
1 H1 GLY 1 H GLY 1 1.751 -0.117 4.387
2 HA2 GLY 1 HA2 GLY 1 2.887 1.833 3.764
3 HA3 GLY 1 HA3 GLY 1 4.001 1.154 4.942
4 H ALA 2 H ALA 2 3.389 1.759 1.586
5 HA ALA 2 HA ALA 2 5.473 0.247 0.454
6 HB1 ALA 2 HB1 ALA 2 5.085 1.423 -1.527
7 HB2 ALA 2 HB2 ALA 2 3.521 1.425 -0.712
8 HB3 ALA 2 HB3 ALA 2 4.538 2.865 -0.672
9 H MET 3 H MET 3 7.180 1.691 -0.926
10 HA MET 3 HA MET 3 8.995 2.680 1.064
11 HB2 MET 3 HB2 MET 3 9.527 1.362 -1.108
12 HB3 MET 3 HB3 MET 3 9.430 2.930 -1.898
13 HG2 MET 3 HG2 MET 3 11.680 2.722 -1.461
14 HG3 MET 3 HG3 MET 3 11.113 3.686 -0.099
15 HE1 MET 3 HE1 MET 3 12.089 0.210 -1.404
16 HE2 MET 3 HE2 MET 3 12.208 -0.785 0.048
17 HE3 MET 3 HE3 MET 3 10.626 -0.289 -0.555
18 H GLY 4 H GLY 4 9.894 4.771 1.189
19 HA2 GLY 4 HA2 GLY 4 8.930 6.920 -0.445
20 HA3 GLY 4 HA3 GLY 4 8.176 6.906 1.142
21 H SER 5 H SER 5 11.487 5.935 0.442
22 HA SER 5 HA SER 5 12.586 7.432 2.537
23 HB2 SER 5 HB2 SER 5 13.988 6.434 0.045
24 HB3 SER 5 HB3 SER 5 14.763 6.889 1.562
25 HG SER 5 HG SER 5 13.489 5.188 2.545
26 H GLU 6 H GLU 6 12.281 8.147 -0.912
27 HA GLU 6 HA GLU 6 13.556 10.738 -0.568
28 HB2 GLU 6 HB2 GLU 6 14.154 9.654 -2.586
29 HB3 GLU 6 HB3 GLU 6 12.484 9.248 -2.955
30 HG2 GLU 6 HG2 GLU 6 13.274 11.026 -4.392
31 HG3 GLU 6 HG3 GLU 6 11.987 11.604 -3.335
32 H SER 7 H SER 7 10.366 9.383 -1.194
33 HA SER 7 HA SER 7 8.987 11.726 -1.807
34 HB2 SER 7 HB2 SER 7 7.646 9.632 -0.148
35 HB3 SER 7 HB3 SER 7 7.051 10.487 -1.571
36 HG SER 7 HG SER 7 7.849 8.973 -2.788
37 H GLU 8 H GLU 8 9.466 10.170 1.358
38 HA GLU 8 HA GLU 8 8.203 12.334 2.767
39 HB2 GLU 8 HB2 GLU 8 9.883 10.068 3.854
40 HB3 GLU 8 HB3 GLU 8 8.832 11.123 4.788
41 HG2 GLU 8 HG2 GLU 8 6.946 10.253 3.295
42 HG3 GLU 8 HG3 GLU 8 8.080 8.986 2.830
43 H GLN 9 H GLN 9 9.197 13.812 4.173
44 HA GLN 9 HA GLN 9 11.959 14.003 4.629
45 HB2 GLN 9 HB2 GLN 9 12.417 16.015 3.189
46 HB3 GLN 9 HB3 GLN 9 12.248 14.499 2.315
47 HG2 GLN 9 HG2 GLN 9 9.979 15.088 1.687
48 HG3 GLN 9 HG3 GLN 9 10.100 16.586 2.608
49 HE21 GLN 9 HE21 GLN 9 9.518 16.304 -0.180
50 HE22 GLN 9 HE22 GLN 9 10.769 17.123 -1.046
51 H ARG 10 H ARG 10 12.572 16.138 5.578
52 HA ARG 10 HA ARG 10 10.559 16.977 7.409
53 HB2 ARG 10 HB2 ARG 10 13.403 17.717 6.880
54 HB3 ARG 10 HB3 ARG 10 12.423 18.798 7.861
55 HG2 ARG 10 HG2 ARG 10 13.549 17.370 9.359
56 HG3 ARG 10 HG3 ARG 10 11.876 16.808 9.304
57 HD2 ARG 10 HD2 ARG 10 13.351 14.907 9.229
58 HD3 ARG 10 HD3 ARG 10 12.555 15.083 7.666
59 HE ARG 10 HE ARG 10 15.097 16.388 7.757
60 HH11 ARG 10 HH11 ARG 10 13.511 13.322 7.309
61 HH12 ARG 10 HH12 ARG 10 14.796 12.648 6.362
62 HH21 ARG 10 HH21 ARG 10 16.796 15.512 6.512
63 HH22 ARG 10 HH22 ARG 10 16.664 13.894 5.910
64 H HIS 11 H HIS 11 10.020 19.302 7.765
65 HA HIS 11 HA HIS 11 9.352 20.539 5.192
66 HB2 HIS 11 HB2 HIS 11 7.577 21.668 6.310
67 HB3 HIS 11 HB3 HIS 11 7.544 20.002 6.879
68 HD1 HIS 11 HD1 HIS 11 7.250 23.292 8.128
69 HD2 HIS 11 HD2 HIS 11 9.156 19.853 9.469
70 HE1 HIS 11 HE1 HIS 11 7.606 23.638 10.594
71 H ALA 12 H ALA 12 8.937 23.124 5.849
72 HA ALA 12 HA ALA 12 10.892 24.384 7.408
73 HB1 ALA 12 HB1 ALA 12 12.735 24.132 6.187
74 HB2 ALA 12 HB2 ALA 12 11.830 23.455 4.832
75 HB3 ALA 12 HB3 ALA 12 11.992 25.204 4.999
76 H HIS 13 H HIS 13 10.779 26.661 7.298
77 HA HIS 13 HA HIS 13 8.277 27.654 6.327
78 HB2 HIS 13 HB2 HIS 13 10.563 29.301 7.409
79 HB3 HIS 13 HB3 HIS 13 8.849 29.705 7.407
80 HD1 HIS 13 HD1 HIS 13 10.702 29.567 9.974
81 HD2 HIS 13 HD2 HIS 13 8.043 26.635 8.712
82 HE1 HIS 13 HE1 HIS 13 10.138 28.239 12.034
83 H GLN 14 H GLN 14 8.081 27.823 4.167
84 HA GLN 14 HA GLN 14 10.254 29.069 2.643
85 HB2 GLN 14 HB2 GLN 14 8.068 27.174 1.992
86 HB3 GLN 14 HB3 GLN 14 8.515 28.320 0.735
87 HG2 GLN 14 HG2 GLN 14 10.741 27.517 0.669
88 HG3 GLN 14 HG3 GLN 14 10.511 26.567 2.136
89 HE21 GLN 14 HE21 GLN 14 11.471 25.557 -0.311
90 HE22 GLN 14 HE22 GLN 14 10.329 24.402 -0.899
91 H CYS 15 H CYS 15 9.742 30.699 1.049
92 HA CYS 15 HA CYS 15 8.160 32.782 2.084
93 HB2 CYS 15 HB2 CYS 15 10.148 32.981 0.513
94 HB3 CYS 15 HB3 CYS 15 9.052 32.535 -0.789
95 HG CYS 15 HG CYS 15 9.019 35.143 -1.193
96 H VAL 16 H VAL 16 6.179 33.616 1.469
97 HA VAL 16 HA VAL 16 4.262 31.715 0.532
98 HB VAL 16 HB VAL 16 2.611 33.467 0.825
99 HG11 VAL 16 HG11 VAL 16 2.726 33.611 3.125
100 HG12 VAL 16 HG12 VAL 16 3.817 32.265 2.797
101 HG13 VAL 16 HG13 VAL 16 4.471 33.869 3.128
102 HG21 VAL 16 HG21 VAL 16 3.288 35.512 0.180
103 HG22 VAL 16 HG22 VAL 16 3.823 35.670 1.853
104 HG23 VAL 16 HG23 VAL 16 4.972 35.198 0.600
105 H SER 17 H SER 17 6.072 34.314 -0.907
106 HA SER 17 HA SER 17 4.423 34.522 -3.252
107 HB2 SER 17 HB2 SER 17 5.691 36.463 -2.524
108 HB3 SER 17 HB3 SER 17 7.204 35.566 -2.663
109 HG SER 17 HG SER 17 5.455 35.995 -4.849
110 H CYS 18 H CYS 18 7.802 33.465 -2.794
111 HA CYS 18 HA CYS 18 7.480 31.729 -5.148
112 HB2 CYS 18 HB2 CYS 18 9.230 33.393 -5.429
113 HB3 CYS 18 HB3 CYS 18 9.981 32.901 -3.915
114 HG CYS 18 HG CYS 18 11.437 32.033 -6.233
115 H GLY 19 H GLY 19 9.764 31.661 -2.422
116 HA2 GLY 19 HA2 GLY 19 8.917 29.708 -0.817
117 HA3 GLY 19 HA3 GLY 19 9.398 28.779 -2.229
118 H ILE 20 H ILE 20 10.958 31.684 -0.963
119 HA ILE 20 HA ILE 20 13.551 30.715 -1.195
120 HB ILE 20 HB ILE 20 12.530 32.807 0.729
121 HG12 ILE 20 HG12 ILE 20 13.869 34.072 -1.327
122 HG13 ILE 20 HG13 ILE 20 13.022 32.771 -2.157
123 HG21 ILE 20 HG21 ILE 20 15.289 31.970 -0.077
124 HG22 ILE 20 HG22 ILE 20 14.961 33.625 0.439
125 HG23 ILE 20 HG23 ILE 20 14.643 32.280 1.535
126 HD11 ILE 20 HD11 ILE 20 11.948 35.171 -1.683
127 HD12 ILE 20 HD12 ILE 20 10.999 33.690 -1.809
128 HD13 ILE 20 HD13 ILE 20 11.435 34.324 -0.223
129 H ASN 21 H ASN 21 15.003 29.767 0.202
130 HA ASN 21 HA ASN 21 13.881 28.076 2.227
131 HB2 ASN 21 HB2 ASN 21 15.743 27.350 0.758
132 HB3 ASN 21 HB3 ASN 21 16.786 28.547 1.519
133 HD21 ASN 21 HD21 ASN 21 18.124 27.654 2.895
134 HD22 ASN 21 HD22 ASN 21 17.776 26.334 3.954
135 H ILE 22 H ILE 22 13.069 30.075 3.411
136 HA ILE 22 HA ILE 22 15.138 31.213 5.158
137 HB ILE 22 HB ILE 22 13.338 32.824 5.839
138 HG12 ILE 22 HG12 ILE 22 11.872 31.640 3.472
139 HG13 ILE 22 HG13 ILE 22 11.427 31.388 5.156
140 HG21 ILE 22 HG21 ILE 22 14.246 34.185 4.337
141 HG22 ILE 22 HG22 ILE 22 14.955 32.770 3.559
142 HG23 ILE 22 HG23 ILE 22 13.391 33.382 3.019
143 HD11 ILE 22 HD11 ILE 22 10.346 33.322 5.252
144 HD12 ILE 22 HD12 ILE 22 11.675 34.197 4.491
145 HD13 ILE 22 HD13 ILE 22 10.483 33.363 3.494
146 H ALA 23 H ALA 23 14.261 28.522 5.539
147 HA ALA 23 HA ALA 23 12.326 28.385 7.628
148 HB1 ALA 23 HB1 ALA 23 12.677 26.110 7.625
149 HB2 ALA 23 HB2 ALA 23 13.175 26.539 5.989
150 HB3 ALA 23 HB3 ALA 23 14.391 26.266 7.237
151 H GLY 24 H GLY 24 12.621 29.155 9.612
152 HA2 GLY 24 HA2 GLY 24 13.580 29.542 11.665
153 HA3 GLY 24 HA3 GLY 24 14.797 28.346 11.243
154 H MET 25 H MET 25 14.431 30.946 9.044
155 HA MET 25 HA MET 25 16.890 32.169 10.109
156 HB2 MET 25 HB2 MET 25 15.897 32.093 7.254
157 HB3 MET 25 HB3 MET 25 17.376 32.872 7.800
158 HG2 MET 25 HG2 MET 25 18.131 30.617 8.616
159 HG3 MET 25 HG3 MET 25 16.743 29.937 7.771
160 HE1 MET 25 HE1 MET 25 20.432 30.859 7.490
161 HE2 MET 25 HE2 MET 25 19.833 29.203 7.400
162 HE3 MET 25 HE3 MET 25 20.632 29.929 6.006
163 H SER 26 H SER 26 17.042 34.509 8.892
164 HA SER 26 HA SER 26 15.140 36.108 10.239
165 HB2 SER 26 HB2 SER 26 17.548 36.710 9.557
166 HB3 SER 26 HB3 SER 26 16.870 37.090 7.974
167 HG SER 26 HG SER 26 17.033 38.794 9.760
168 H ALA 27 H ALA 27 13.126 36.543 9.669
169 HA ALA 27 HA ALA 27 12.348 37.464 7.136
170 HB1 ALA 27 HB1 ALA 27 12.543 35.344 6.198
171 HB2 ALA 27 HB2 ALA 27 11.924 34.541 7.641
172 HB3 ALA 27 HB3 ALA 27 10.829 35.453 6.602
173 H ALA 28 H ALA 28 10.177 38.132 7.075
174 HA ALA 28 HA ALA 28 9.042 38.887 9.505
175 HB1 ALA 28 HB1 ALA 28 8.202 38.928 6.679
176 HB2 ALA 28 HB2 ALA 28 6.908 39.023 7.873
177 HB3 ALA 28 HB3 ALA 28 8.207 40.216 7.884
178 H THR 29 H THR 29 8.154 37.656 11.016
179 HA THR 29 HA THR 29 6.699 35.230 10.190
180 HB THR 29 HB THR 29 7.435 35.394 13.021
181 HG1 THR 29 HG1 THR 29 9.446 35.948 12.687
182 HG21 THR 29 HG21 THR 29 8.222 33.088 12.548
183 HG22 THR 29 HG22 THR 29 6.555 33.364 12.044
184 HG23 THR 29 HG23 THR 29 7.847 33.342 10.844
185 H PHE 30 H PHE 30 4.570 35.408 10.339
186 HA PHE 30 HA PHE 30 3.421 36.819 12.639
187 HB2 PHE 30 HB2 PHE 30 1.639 37.714 11.057
188 HB3 PHE 30 HB3 PHE 30 3.228 38.463 10.940
189 HD1 PHE 30 HD1 PHE 30 4.729 37.867 9.053
190 HD2 PHE 30 HD2 PHE 30 0.680 36.568 9.231
191 HE1 PHE 30 HE1 PHE 30 4.786 37.371 6.643
192 HE2 PHE 30 HE2 PHE 30 0.730 36.069 6.822
193 HZ PHE 30 HZ PHE 30 2.785 36.469 5.525
194 H LYS 31 H LYS 31 1.014 36.354 12.810
195 HA LYS 31 HA LYS 31 0.566 33.515 12.171
196 HB2 LYS 31 HB2 LYS 31 0.642 33.913 14.553
197 HB3 LYS 31 HB3 LYS 31 -0.520 35.225 14.413
198 HG2 LYS 31 HG2 LYS 31 -2.201 33.571 13.625
199 HG3 LYS 31 HG3 LYS 31 -1.030 32.294 13.962
200 HD2 LYS 31 HD2 LYS 31 -1.930 34.284 16.035
201 HD3 LYS 31 HD3 LYS 31 -2.740 32.738 15.772
202 HE2 LYS 31 HE2 LYS 31 -1.277 32.161 17.437
203 HE3 LYS 31 HE3 LYS 31 -0.302 31.789 16.016
204 HZ1 LYS 31 HZ1 LYS 31 0.266 33.584 18.090
205 HZ2 LYS 31 HZ2 LYS 31 1.214 33.207 16.740
206 HZ3 LYS 31 HZ3 LYS 31 0.100 34.477 16.663
207 H CYS 32 H CYS 32 -0.952 33.050 10.730
208 HA CYS 32 HA CYS 32 -2.538 35.028 9.490
209 HB2 CYS 32 HB2 CYS 32 -1.767 32.822 8.493
210 HB3 CYS 32 HB3 CYS 32 -3.059 32.057 9.409
211 HG CYS 32 HG CYS 32 -4.732 34.271 8.010
212 HA PRO 33 HA PRO 33 -5.805 35.248 12.491
213 HB2 PRO 33 HB2 PRO 33 -7.421 36.888 11.052
214 HB3 PRO 33 HB3 PRO 33 -5.980 37.461 11.900
215 HG2 PRO 33 HG2 PRO 33 -6.335 36.796 9.003
216 HG3 PRO 33 HG3 PRO 33 -5.489 38.169 9.740
217 HD2 PRO 33 HD2 PRO 33 -4.186 35.990 8.799
218 HD3 PRO 33 HD3 PRO 33 -3.600 36.926 10.189
219 H ASP 34 H ASP 34 -5.866 33.750 9.477
220 HA ASP 34 HA ASP 34 -8.693 33.054 9.577
221 HB2 ASP 34 HB2 ASP 34 -7.265 33.565 7.443
222 HB3 ASP 34 HB3 ASP 34 -6.756 31.887 7.610
223 H CYS 35 H CYS 35 -5.563 31.353 9.559
224 HA CYS 35 HA CYS 35 -6.901 29.076 10.864
225 HB2 CYS 35 HB2 CYS 35 -4.902 27.757 9.984
226 HB3 CYS 35 HB3 CYS 35 -6.071 28.304 8.788
227 HG CYS 35 HG CYS 35 -4.463 30.551 8.060
228 H GLY 36 H GLY 36 -3.911 30.985 10.771
229 HA2 GLY 36 HA2 GLY 36 -2.908 31.773 12.808
230 HA3 GLY 36 HA3 GLY 36 -3.533 30.345 13.620
231 H GLN 37 H GLN 37 -2.094 29.963 10.505
232 HA GLN 37 HA GLN 37 -0.010 28.321 11.653
233 HB2 GLN 37 HB2 GLN 37 -0.646 28.982 8.772
234 HB3 GLN 37 HB3 GLN 37 0.547 27.803 9.299
235 HG2 GLN 37 HG2 GLN 37 -2.262 27.532 10.242
236 HG3 GLN 37 HG3 GLN 37 -1.859 27.066 8.590
237 HE21 GLN 37 HE21 GLN 37 0.504 25.898 8.733
238 HE22 GLN 37 HE22 GLN 37 0.477 24.521 9.776
239 H GLU 38 H GLU 38 2.195 28.664 11.508
240 HA GLU 38 HA GLU 38 3.058 31.361 11.608
241 HB2 GLU 38 HB2 GLU 38 4.082 29.332 12.783
242 HB3 GLU 38 HB3 GLU 38 4.865 28.978 11.249
243 HG2 GLU 38 HG2 GLU 38 5.933 31.197 11.314
244 HG3 GLU 38 HG3 GLU 38 5.201 31.476 12.893
245 H ILE 39 H ILE 39 3.248 32.648 9.904
246 HA ILE 39 HA ILE 39 4.032 31.488 7.320
247 HB ILE 39 HB ILE 39 2.899 34.245 7.767
248 HG12 ILE 39 HG12 ILE 39 1.414 31.700 7.074
249 HG13 ILE 39 HG13 ILE 39 1.308 32.563 8.605
250 HG21 ILE 39 HG21 ILE 39 2.510 34.279 5.441
251 HG22 ILE 39 HG22 ILE 39 4.148 33.660 5.643
252 HG23 ILE 39 HG23 ILE 39 2.824 32.551 5.285
253 HD11 ILE 39 HD11 ILE 39 -0.558 32.908 6.911
254 HD12 ILE 39 HD12 ILE 39 0.150 34.346 7.646
255 HD13 ILE 39 HD13 ILE 39 0.605 33.878 6.008
256 H SER 40 H SER 40 5.974 31.896 6.497
257 HA SER 40 HA SER 40 7.539 34.112 7.651
258 HB2 SER 40 HB2 SER 40 8.638 31.537 6.502
259 HB3 SER 40 HB3 SER 40 9.547 32.801 7.329
260 HG SER 40 HG SER 40 8.402 32.302 9.224
261 H ARG 41 H ARG 41 7.924 35.705 6.277
262 HA ARG 41 HA ARG 41 8.037 35.086 3.398
263 HB2 ARG 41 HB2 ARG 41 6.955 37.466 4.878
264 HB3 ARG 41 HB3 ARG 41 7.447 37.600 3.196
265 HG2 ARG 41 HG2 ARG 41 5.773 36.158 2.463
266 HG3 ARG 41 HG3 ARG 41 5.514 35.491 4.076
267 HD2 ARG 41 HD2 ARG 41 3.684 36.887 3.801
268 HD3 ARG 41 HD3 ARG 41 4.813 37.898 4.701
269 HE ARG 41 HE ARG 41 3.997 38.227 1.930
270 HH11 ARG 41 HH11 ARG 41 6.121 39.179 4.519
271 HH12 ARG 41 HH12 ARG 41 6.552 40.688 3.785
272 HH21 ARG 41 HH21 ARG 41 4.557 40.211 0.954
273 HH22 ARG 41 HH22 ARG 41 5.661 41.275 1.758
274 H CYS 42 H CYS 42 9.844 35.582 2.320
275 HA CYS 42 HA CYS 42 12.154 36.455 3.724
276 HB2 CYS 42 HB2 CYS 42 11.939 34.926 1.616
277 HB3 CYS 42 HB3 CYS 42 11.978 36.445 0.729
278 HG CYS 42 HG CYS 42 14.521 36.876 0.888
279 H SER 43 H SER 43 13.522 38.288 3.038
280 HA SER 43 HA SER 43 12.272 40.726 3.357
281 HB2 SER 43 HB2 SER 43 14.838 40.409 1.801
282 HB3 SER 43 HB3 SER 43 14.353 41.748 2.840
283 HG SER 43 HG SER 43 15.464 40.694 4.285
284 H LYS 44 H LYS 44 13.181 39.099 0.349
285 HA LYS 44 HA LYS 44 12.597 41.101 -1.472
286 HB2 LYS 44 HB2 LYS 44 12.126 38.131 -1.798
287 HB3 LYS 44 HB3 LYS 44 12.232 39.300 -3.108
288 HG2 LYS 44 HG2 LYS 44 14.455 38.687 -1.172
289 HG3 LYS 44 HG3 LYS 44 14.300 37.995 -2.789
290 HD2 LYS 44 HD2 LYS 44 14.303 40.345 -3.682
291 HD3 LYS 44 HD3 LYS 44 14.719 40.888 -2.055
292 HE2 LYS 44 HE2 LYS 44 16.635 39.130 -2.268
293 HE3 LYS 44 HE3 LYS 44 16.333 39.289 -3.997
294 HZ1 LYS 44 HZ1 LYS 44 16.455 41.853 -3.219
295 HZ2 LYS 44 HZ2 LYS 44 17.572 41.146 -2.163
296 HZ3 LYS 44 HZ3 LYS 44 17.768 40.982 -3.836
297 H CYS 45 H CYS 45 10.432 38.928 0.232
298 HA CYS 45 HA CYS 45 8.104 39.313 -1.251
299 HB2 CYS 45 HB2 CYS 45 8.764 37.915 1.014
300 HB3 CYS 45 HB3 CYS 45 7.695 39.156 1.654
301 HG CYS 45 HG CYS 45 6.828 37.103 -0.940
302 H ARG 46 H ARG 46 9.773 41.449 0.873
303 HA ARG 46 HA ARG 46 7.827 43.121 1.840
304 HB2 ARG 46 HB2 ARG 46 10.598 43.714 0.822
305 HB3 ARG 46 HB3 ARG 46 9.581 44.967 1.521
306 HG2 ARG 46 HG2 ARG 46 10.140 42.430 3.008
307 HG3 ARG 46 HG3 ARG 46 11.282 43.775 3.028
308 HD2 ARG 46 HD2 ARG 46 8.381 43.916 3.844
309 HD3 ARG 46 HD3 ARG 46 9.754 43.833 4.948
310 HE ARG 46 HE ARG 46 8.821 46.140 3.509
311 HH11 ARG 46 HH11 ARG 46 11.550 44.646 5.071
312 HH12 ARG 46 HH12 ARG 46 12.361 46.146 5.379
313 HH21 ARG 46 HH21 ARG 46 9.879 48.121 3.909
314 HH22 ARG 46 HH22 ARG 46 11.409 48.122 4.718
315 H LYS 47 H LYS 47 9.096 42.932 -1.428
316 HA LYS 47 HA LYS 47 7.734 45.289 -2.342
317 HB2 LYS 47 HB2 LYS 47 9.401 43.155 -3.581
318 HB3 LYS 47 HB3 LYS 47 8.328 44.067 -4.636
319 HG2 LYS 47 HG2 LYS 47 10.300 45.375 -2.784
320 HG3 LYS 47 HG3 LYS 47 10.684 44.924 -4.447
321 HD2 LYS 47 HD2 LYS 47 8.272 46.594 -3.853
322 HD3 LYS 47 HD3 LYS 47 9.871 47.337 -3.932
323 HE2 LYS 47 HE2 LYS 47 8.934 45.544 -6.135
324 HE3 LYS 47 HE3 LYS 47 8.389 47.219 -6.069
325 HZ1 LYS 47 HZ1 LYS 47 10.993 46.150 -6.736
326 HZ2 LYS 47 HZ2 LYS 47 10.258 47.595 -7.219
327 HZ3 LYS 47 HZ3 LYS 47 11.027 47.499 -5.715
328 H GLN 48 H GLN 48 7.125 41.826 -2.368
329 HA GLN 48 HA GLN 48 4.761 42.077 -4.003
330 HB2 GLN 48 HB2 GLN 48 6.135 39.812 -2.601
331 HB3 GLN 48 HB3 GLN 48 4.495 39.608 -3.203
332 HG2 GLN 48 HG2 GLN 48 5.956 38.780 -4.865
333 HG3 GLN 48 HG3 GLN 48 5.326 40.318 -5.451
334 HE21 GLN 48 HE21 GLN 48 8.103 38.767 -3.957
335 HE22 GLN 48 HE22 GLN 48 9.276 39.901 -4.525
336 H SER 49 H SER 49 5.379 42.919 -0.919
337 HA SER 49 HA SER 49 3.381 41.816 0.654
338 HB2 SER 49 HB2 SER 49 5.244 43.374 1.390
339 HB3 SER 49 HB3 SER 49 4.247 44.707 0.809
340 HG SER 49 HG SER 49 2.729 44.237 2.339
341 H ASN 50 H ASN 50 3.166 44.194 -1.868
342 HA ASN 50 HA ASN 50 0.798 45.484 -1.294
343 HB2 ASN 50 HB2 ASN 50 2.323 45.936 -3.244
344 HB3 ASN 50 HB3 ASN 50 1.609 44.543 -4.050
345 HD21 ASN 50 HD21 ASN 50 -0.313 44.747 -5.047
346 HD22 ASN 50 HD22 ASN 50 -1.229 46.211 -5.108
347 H LEU 51 H LEU 51 1.307 42.218 -2.404
348 HA LEU 51 HA LEU 51 -1.462 41.583 -1.848
349 HB2 LEU 51 HB2 LEU 51 -0.307 41.600 -4.587
350 HB3 LEU 51 HB3 LEU 51 -1.408 40.291 -4.160
351 HG LEU 51 HG LEU 51 -2.093 43.224 -3.981
352 HD11 LEU 51 HD11 LEU 51 -3.419 42.861 -5.992
353 HD12 LEU 51 HD12 LEU 51 -1.709 42.556 -6.298
354 HD13 LEU 51 HD13 LEU 51 -2.824 41.204 -6.097
355 HD21 LEU 51 HD21 LEU 51 -4.196 41.188 -4.168
356 HD22 LEU 51 HD22 LEU 51 -3.256 41.142 -2.677
357 HD23 LEU 51 HD23 LEU 51 -4.089 42.623 -3.149
358 H TYR 52 H TYR 52 -1.268 39.900 -0.536
359 HA TYR 52 HA TYR 52 0.632 37.769 -1.263
360 HB2 TYR 52 HB2 TYR 52 1.227 37.439 1.007
361 HB3 TYR 52 HB3 TYR 52 1.306 39.178 0.746
362 HD1 TYR 52 HD1 TYR 52 -0.949 40.463 1.308
363 HD2 TYR 52 HD2 TYR 52 0.144 36.669 2.895
364 HE1 TYR 52 HE1 TYR 52 -2.478 40.821 3.200
365 HE2 TYR 52 HE2 TYR 52 -1.383 37.016 4.791
366 HH TYR 52 HH TYR 52 -2.795 40.040 5.484
367 H GLU 53 H GLU 53 0.060 35.697 0.054
368 HA GLU 53 HA GLU 53 -2.743 35.317 0.597
369 HB2 GLU 53 HB2 GLU 53 -2.846 35.128 -1.798
370 HB3 GLU 53 HB3 GLU 53 -1.461 34.046 -1.823
371 HG2 GLU 53 HG2 GLU 53 -2.799 32.385 -0.564
372 HG3 GLU 53 HG3 GLU 53 -4.190 33.458 -0.703
373 H CYS 54 H CYS 54 -2.872 33.948 2.241
374 HA CYS 54 HA CYS 54 -0.655 32.594 3.298
375 HB2 CYS 54 HB2 CYS 54 -2.650 33.276 4.611
376 HB3 CYS 54 HB3 CYS 54 -3.582 32.020 3.805
377 HG CYS 54 HG CYS 54 -0.778 30.993 5.363
378 HA PRO 55 HA PRO 55 -0.697 29.173 0.403
379 HB2 PRO 55 HB2 PRO 55 1.596 28.051 1.328
380 HB3 PRO 55 HB3 PRO 55 1.579 29.452 0.251
381 HG2 PRO 55 HG2 PRO 55 1.922 29.351 3.223
382 HG3 PRO 55 HG3 PRO 55 2.802 30.321 2.027
383 HD2 PRO 55 HD2 PRO 55 0.803 31.340 3.542
384 HD3 PRO 55 HD3 PRO 55 1.128 31.899 1.889
385 H ASP 56 H ASP 56 -0.995 29.200 3.793
386 HA ASP 56 HA ASP 56 -1.088 26.337 4.143
387 HB2 ASP 56 HB2 ASP 56 -0.907 28.617 5.842
388 HB3 ASP 56 HB3 ASP 56 -2.331 27.697 6.321
389 H CYS 57 H CYS 57 -3.493 28.954 4.475
390 HA CYS 57 HA CYS 57 -5.597 26.962 3.961
391 HB2 CYS 57 HB2 CYS 57 -7.137 28.572 5.038
392 HB3 CYS 57 HB3 CYS 57 -5.838 28.068 6.112
393 HG CYS 57 HG CYS 57 -6.790 31.040 5.623
394 H GLY 58 H GLY 58 -3.887 28.514 2.012
395 HA2 GLY 58 HA2 GLY 58 -4.132 29.760 0.084
396 HA3 GLY 58 HA3 GLY 58 -5.609 28.820 -0.074
397 H PHE 59 H PHE 59 -4.813 31.299 2.328
398 HA PHE 59 HA PHE 59 -7.286 32.681 1.658
399 HB2 PHE 59 HB2 PHE 59 -6.923 32.336 4.003
400 HB3 PHE 59 HB3 PHE 59 -5.302 33.015 3.910
401 HD1 PHE 59 HD1 PHE 59 -8.506 34.292 2.520
402 HD2 PHE 59 HD2 PHE 59 -5.326 34.871 5.290
403 HE1 PHE 59 HE1 PHE 59 -9.408 36.510 3.087
404 HE2 PHE 59 HE2 PHE 59 -6.223 37.090 5.861
405 HZ PHE 59 HZ PHE 59 -8.266 37.912 4.759
406 H MET 60 H MET 60 -7.107 33.984 -0.063
407 HA MET 60 HA MET 60 -4.690 35.402 -0.682
408 HB2 MET 60 HB2 MET 60 -7.452 35.699 -1.875
409 HB3 MET 60 HB3 MET 60 -5.958 36.332 -2.554
410 HG2 MET 60 HG2 MET 60 -5.254 34.291 -3.281
411 HG3 MET 60 HG3 MET 60 -6.130 33.418 -2.026
412 HE1 MET 60 HE1 MET 60 -8.158 32.481 -2.097
413 HE2 MET 60 HE2 MET 60 -9.320 33.782 -2.356
414 HE3 MET 60 HE3 MET 60 -9.302 32.388 -3.436
415 H GLY 61 H GLY 61 -4.166 37.480 -0.264
416 HA2 GLY 61 HA2 GLY 61 -6.212 39.311 0.737
417 HA3 GLY 61 HA3 GLY 61 -4.883 38.932 1.822
418 HA PRO 62 HA PRO 62 -3.841 42.568 -0.993
419 HB2 PRO 62 HB2 PRO 62 -3.617 44.432 0.968
420 HB3 PRO 62 HB3 PRO 62 -5.138 44.093 0.134
421 HG2 PRO 62 HG2 PRO 62 -4.184 43.128 2.803
422 HG3 PRO 62 HG3 PRO 62 -5.790 43.719 2.335
423 HD2 PRO 62 HD2 PRO 62 -5.219 41.082 2.570
424 HD3 PRO 62 HD3 PRO 62 -6.395 41.704 1.394
Start of MODEL 15
1 H1 GLY 1 H GLY 1 6.612 3.607 -9.891
2 HA2 GLY 1 HA2 GLY 1 8.285 2.471 -8.124
3 HA3 GLY 1 HA3 GLY 1 9.407 3.041 -9.351
4 H ALA 2 H ALA 2 6.730 4.167 -7.299
5 HA ALA 2 HA ALA 2 8.057 6.796 -7.176
6 HB1 ALA 2 HB1 ALA 2 5.836 7.714 -6.598
7 HB2 ALA 2 HB2 ALA 2 5.877 6.963 -8.193
8 HB3 ALA 2 HB3 ALA 2 5.140 6.111 -6.837
9 H MET 3 H MET 3 8.770 7.504 -5.263
10 HA MET 3 HA MET 3 8.434 5.799 -2.940
11 HB2 MET 3 HB2 MET 3 10.168 8.175 -3.563
12 HB3 MET 3 HB3 MET 3 10.020 7.563 -1.921
13 HG2 MET 3 HG2 MET 3 10.895 5.426 -2.583
14 HG3 MET 3 HG3 MET 3 10.910 5.917 -4.275
15 HE1 MET 3 HE1 MET 3 13.050 4.643 -3.710
16 HE2 MET 3 HE2 MET 3 14.049 5.757 -4.643
17 HE3 MET 3 HE3 MET 3 14.498 5.346 -2.988
18 H GLY 4 H GLY 4 7.440 6.363 -1.032
19 HA2 GLY 4 HA2 GLY 4 5.200 8.007 -1.115
20 HA3 GLY 4 HA3 GLY 4 5.973 7.448 0.360
21 H SER 5 H SER 5 5.395 10.106 -1.703
22 HA SER 5 HA SER 5 7.341 11.773 -0.274
23 HB2 SER 5 HB2 SER 5 7.646 12.239 -2.520
24 HB3 SER 5 HB3 SER 5 5.941 12.004 -2.908
25 HG SER 5 HG SER 5 5.627 14.050 -2.585
26 H GLU 6 H GLU 6 3.905 11.473 -1.003
27 HA GLU 6 HA GLU 6 3.074 13.864 0.250
28 HB2 GLU 6 HB2 GLU 6 1.569 11.292 -0.258
29 HB3 GLU 6 HB3 GLU 6 0.825 12.789 0.284
30 HG2 GLU 6 HG2 GLU 6 2.106 12.190 -2.356
31 HG3 GLU 6 HG3 GLU 6 0.456 12.713 -2.023
32 H SER 7 H SER 7 3.607 10.598 1.436
33 HA SER 7 HA SER 7 2.361 10.731 3.904
34 HB2 SER 7 HB2 SER 7 4.195 9.099 4.633
35 HB3 SER 7 HB3 SER 7 3.228 8.631 3.235
36 HG SER 7 HG SER 7 5.581 8.403 3.033
37 H GLU 8 H GLU 8 5.762 11.516 3.168
38 HA GLU 8 HA GLU 8 6.255 12.572 5.777
39 HB2 GLU 8 HB2 GLU 8 8.433 13.113 4.982
40 HB3 GLU 8 HB3 GLU 8 7.995 11.573 4.255
41 HG2 GLU 8 HG2 GLU 8 7.380 12.752 2.186
42 HG3 GLU 8 HG3 GLU 8 7.899 14.268 2.919
43 H GLN 9 H GLN 9 6.579 14.729 6.384
44 HA GLN 9 HA GLN 9 5.678 16.784 4.497
45 HB2 GLN 9 HB2 GLN 9 4.695 16.636 7.348
46 HB3 GLN 9 HB3 GLN 9 4.195 17.779 6.109
47 HG2 GLN 9 HG2 GLN 9 2.501 16.422 5.682
48 HG3 GLN 9 HG3 GLN 9 3.673 15.299 4.994
49 HE21 GLN 9 HE21 GLN 9 1.222 14.582 6.207
50 HE22 GLN 9 HE22 GLN 9 1.582 13.637 7.608
51 H ARG 10 H ARG 10 7.349 18.119 4.317
52 HA ARG 10 HA ARG 10 8.787 18.892 6.771
53 HB2 ARG 10 HB2 ARG 10 9.802 18.254 4.026
54 HB3 ARG 10 HB3 ARG 10 10.683 19.396 5.031
55 HG2 ARG 10 HG2 ARG 10 11.725 17.368 5.453
56 HG3 ARG 10 HG3 ARG 10 10.627 17.560 6.820
57 HD2 ARG 10 HD2 ARG 10 9.106 15.992 5.957
58 HD3 ARG 10 HD3 ARG 10 9.834 16.046 4.352
59 HE ARG 10 HE ARG 10 10.703 14.473 6.605
60 HH11 ARG 10 HH11 ARG 10 11.613 15.899 3.562
61 HH12 ARG 10 HH12 ARG 10 12.915 14.791 3.284
62 HH21 ARG 10 HH21 ARG 10 12.415 13.009 6.250
63 HH22 ARG 10 HH22 ARG 10 13.370 13.147 4.813
64 H HIS 11 H HIS 11 7.605 20.740 7.174
65 HA HIS 11 HA HIS 11 7.834 22.864 5.145
66 HB2 HIS 11 HB2 HIS 11 5.562 22.103 6.933
67 HB3 HIS 11 HB3 HIS 11 5.769 23.797 6.498
68 HD1 HIS 11 HD1 HIS 11 3.642 23.855 5.068
69 HD2 HIS 11 HD2 HIS 11 6.420 21.028 3.821
70 HE1 HIS 11 HE1 HIS 11 2.856 23.093 2.803
71 H ALA 12 H ALA 12 9.891 23.375 6.133
72 HA ALA 12 HA ALA 12 9.855 24.387 8.857
73 HB1 ALA 12 HB1 ALA 12 11.809 23.239 7.235
74 HB2 ALA 12 HB2 ALA 12 12.297 24.924 7.418
75 HB3 ALA 12 HB3 ALA 12 12.029 23.924 8.846
76 H HIS 13 H HIS 13 11.572 26.489 8.795
77 HA HIS 13 HA HIS 13 9.882 28.624 7.979
78 HB2 HIS 13 HB2 HIS 13 12.749 28.653 8.945
79 HB3 HIS 13 HB3 HIS 13 11.736 30.081 8.755
80 HD1 HIS 13 HD1 HIS 13 12.961 29.203 11.490
81 HD2 HIS 13 HD2 HIS 13 9.102 28.346 10.211
82 HE1 HIS 13 HE1 HIS 13 11.632 28.798 13.586
83 H GLN 14 H GLN 14 9.590 29.007 5.869
84 HA GLN 14 HA GLN 14 11.912 29.723 4.272
85 HB2 GLN 14 HB2 GLN 14 10.248 27.329 3.805
86 HB3 GLN 14 HB3 GLN 14 10.561 28.319 2.386
87 HG2 GLN 14 HG2 GLN 14 12.818 27.909 2.424
88 HG3 GLN 14 HG3 GLN 14 12.833 27.553 4.151
89 HE21 GLN 14 HE21 GLN 14 14.190 25.847 2.736
90 HE22 GLN 14 HE22 GLN 14 13.347 24.360 2.493
91 H CYS 15 H CYS 15 11.200 30.648 2.114
92 HA CYS 15 HA CYS 15 9.270 32.673 2.591
93 HB2 CYS 15 HB2 CYS 15 11.322 32.828 1.093
94 HB3 CYS 15 HB3 CYS 15 10.406 31.915 -0.100
95 HG CYS 15 HG CYS 15 10.057 34.349 -1.099
96 H VAL 16 H VAL 16 7.194 32.894 1.906
97 HA VAL 16 HA VAL 16 5.752 30.517 1.246
98 HB VAL 16 HB VAL 16 3.766 31.874 1.292
99 HG11 VAL 16 HG11 VAL 16 4.571 31.331 3.459
100 HG12 VAL 16 HG12 VAL 16 5.778 32.615 3.405
101 HG13 VAL 16 HG13 VAL 16 4.065 33.020 3.512
102 HG21 VAL 16 HG21 VAL 16 4.089 34.395 1.714
103 HG22 VAL 16 HG22 VAL 16 5.695 34.154 1.026
104 HG23 VAL 16 HG23 VAL 16 4.261 33.793 0.065
105 H SER 17 H SER 17 7.134 33.125 -0.560
106 HA SER 17 HA SER 17 5.550 32.723 -2.923
107 HB2 SER 17 HB2 SER 17 6.870 34.415 -3.919
108 HB3 SER 17 HB3 SER 17 6.736 34.885 -2.225
109 HG SER 17 HG SER 17 8.910 34.916 -3.271
110 H CYS 18 H CYS 18 8.858 31.903 -1.928
111 HA CYS 18 HA CYS 18 8.885 29.848 -4.034
112 HB2 CYS 18 HB2 CYS 18 10.949 31.917 -3.392
113 HB3 CYS 18 HB3 CYS 18 11.471 30.347 -3.988
114 HG CYS 18 HG CYS 18 10.627 32.889 -5.733
115 H GLY 19 H GLY 19 11.204 30.780 -1.504
116 HA2 GLY 19 HA2 GLY 19 10.736 29.110 0.530
117 HA3 GLY 19 HA3 GLY 19 11.378 27.999 -0.672
118 H ILE 20 H ILE 20 12.367 31.347 -0.133
119 HA ILE 20 HA ILE 20 15.101 30.809 -0.247
120 HB ILE 20 HB ILE 20 13.711 33.116 1.120
121 HG12 ILE 20 HG12 ILE 20 14.847 34.010 -1.240
122 HG13 ILE 20 HG13 ILE 20 14.220 32.423 -1.674
123 HG21 ILE 20 HG21 ILE 20 16.092 34.098 0.321
124 HG22 ILE 20 HG22 ILE 20 15.781 33.466 1.938
125 HG23 ILE 20 HG23 ILE 20 16.549 32.443 0.724
126 HD11 ILE 20 HD11 ILE 20 12.073 33.074 -1.482
127 HD12 ILE 20 HD12 ILE 20 12.407 34.173 -0.144
128 HD13 ILE 20 HD13 ILE 20 12.774 34.661 -1.799
129 H ASN 21 H ASN 21 16.690 30.519 1.289
130 HA ASN 21 HA ASN 21 15.894 29.200 3.695
131 HB2 ASN 21 HB2 ASN 21 18.698 30.114 3.086
132 HB3 ASN 21 HB3 ASN 21 18.179 28.708 4.011
133 HD21 ASN 21 HD21 ASN 21 19.791 29.324 1.427
134 HD22 ASN 21 HD22 ASN 21 19.220 28.116 0.331
135 H ILE 22 H ILE 22 14.656 31.046 4.565
136 HA ILE 22 HA ILE 22 16.395 33.007 5.912
137 HB ILE 22 HB ILE 22 14.270 34.345 6.198
138 HG12 ILE 22 HG12 ILE 22 13.194 32.650 3.954
139 HG13 ILE 22 HG13 ILE 22 12.839 32.273 5.637
140 HG21 ILE 22 HG21 ILE 22 14.447 34.336 3.332
141 HG22 ILE 22 HG22 ILE 22 15.048 35.526 4.486
142 HG23 ILE 22 HG23 ILE 22 16.049 34.143 4.044
143 HD11 ILE 22 HD11 ILE 22 11.426 34.014 5.866
144 HD12 ILE 22 HD12 ILE 22 12.349 35.052 4.779
145 HD13 ILE 22 HD13 ILE 22 11.281 33.813 4.120
146 H ALA 23 H ALA 23 15.974 30.350 6.894
147 HA ALA 23 HA ALA 23 13.991 30.300 8.924
148 HB1 ALA 23 HB1 ALA 23 16.526 28.675 8.841
149 HB2 ALA 23 HB2 ALA 23 15.021 28.282 9.671
150 HB3 ALA 23 HB3 ALA 23 15.079 28.291 7.909
151 H GLY 24 H GLY 24 13.959 31.460 10.729
152 HA2 GLY 24 HA2 GLY 24 14.663 32.473 12.671
153 HA3 GLY 24 HA3 GLY 24 16.193 31.628 12.483
154 H MET 25 H MET 25 15.197 33.536 9.818
155 HA MET 25 HA MET 25 17.366 35.406 10.358
156 HB2 MET 25 HB2 MET 25 15.697 34.847 7.909
157 HB3 MET 25 HB3 MET 25 16.848 36.173 7.992
158 HG2 MET 25 HG2 MET 25 17.551 33.277 8.401
159 HG3 MET 25 HG3 MET 25 17.727 34.150 6.880
160 HE1 MET 25 HE1 MET 25 19.635 34.134 10.740
161 HE2 MET 25 HE2 MET 25 19.046 32.819 9.723
162 HE3 MET 25 HE3 MET 25 20.744 33.291 9.658
163 H SER 26 H SER 26 16.754 37.701 9.256
164 HA SER 26 HA SER 26 14.615 38.722 10.951
165 HB2 SER 26 HB2 SER 26 16.974 39.750 10.761
166 HB3 SER 26 HB3 SER 26 16.421 40.397 9.216
167 HG SER 26 HG SER 26 15.710 41.104 11.798
168 H ALA 27 H ALA 27 13.529 37.243 8.976
169 HA ALA 27 HA ALA 27 12.728 39.055 6.827
170 HB1 ALA 27 HB1 ALA 27 13.035 37.093 5.758
171 HB2 ALA 27 HB2 ALA 27 12.744 36.134 7.209
172 HB3 ALA 27 HB3 ALA 27 11.383 36.781 6.293
173 H ALA 28 H ALA 28 10.339 38.910 6.202
174 HA ALA 28 HA ALA 28 8.778 40.044 8.207
175 HB1 ALA 28 HB1 ALA 28 8.258 40.406 5.889
176 HB2 ALA 28 HB2 ALA 28 7.927 38.691 5.650
177 HB3 ALA 28 HB3 ALA 28 6.865 39.660 6.671
178 H THR 29 H THR 29 8.491 38.947 10.077
179 HA THR 29 HA THR 29 7.411 36.214 9.927
180 HB THR 29 HB THR 29 8.051 36.946 12.614
181 HG1 THR 29 HG1 THR 29 10.123 37.620 12.442
182 HG21 THR 29 HG21 THR 29 9.930 35.134 11.924
183 HG22 THR 29 HG22 THR 29 8.261 34.713 12.307
184 HG23 THR 29 HG23 THR 29 8.763 34.885 10.625
185 H PHE 30 H PHE 30 5.268 36.148 10.052
186 HA PHE 30 HA PHE 30 3.936 37.775 12.100
187 HB2 PHE 30 HB2 PHE 30 2.011 38.034 10.447
188 HB3 PHE 30 HB3 PHE 30 3.449 39.001 10.135
189 HD1 PHE 30 HD1 PHE 30 5.020 38.323 8.338
190 HD2 PHE 30 HD2 PHE 30 1.264 36.404 8.909
191 HE1 PHE 30 HE1 PHE 30 5.155 37.391 6.065
192 HE2 PHE 30 HE2 PHE 30 1.393 35.468 6.638
193 HZ PHE 30 HZ PHE 30 3.340 35.961 5.212
194 H LYS 31 H LYS 31 1.582 36.989 12.362
195 HA LYS 31 HA LYS 31 1.614 34.044 12.353
196 HB2 LYS 31 HB2 LYS 31 1.607 34.830 14.604
197 HB3 LYS 31 HB3 LYS 31 0.352 36.013 14.258
198 HG2 LYS 31 HG2 LYS 31 -1.250 34.197 13.890
199 HG3 LYS 31 HG3 LYS 31 0.011 33.020 14.264
200 HD2 LYS 31 HD2 LYS 31 -1.384 33.384 16.212
201 HD3 LYS 31 HD3 LYS 31 0.237 34.015 16.509
202 HE2 LYS 31 HE2 LYS 31 -0.496 36.259 16.150
203 HE3 LYS 31 HE3 LYS 31 -2.070 35.712 15.574
204 HZ1 LYS 31 HZ1 LYS 31 -1.278 34.896 18.261
205 HZ2 LYS 31 HZ2 LYS 31 -1.678 36.526 18.043
206 HZ3 LYS 31 HZ3 LYS 31 -2.803 35.320 17.664
207 H CYS 32 H CYS 32 0.201 33.070 11.071
208 HA CYS 32 HA CYS 32 -1.689 34.485 9.522
209 HB2 CYS 32 HB2 CYS 32 -0.564 32.295 8.923
210 HB3 CYS 32 HB3 CYS 32 -1.686 31.508 10.027
211 HG CYS 32 HG CYS 32 -2.542 33.229 7.195
212 HA PRO 33 HA PRO 33 -4.972 34.739 12.494
213 HB2 PRO 33 HB2 PRO 33 -6.853 35.711 10.794
214 HB3 PRO 33 HB3 PRO 33 -5.546 36.704 11.450
215 HG2 PRO 33 HG2 PRO 33 -5.756 35.374 8.776
216 HG3 PRO 33 HG3 PRO 33 -5.180 37.004 9.173
217 HD2 PRO 33 HD2 PRO 33 -3.494 34.944 8.677
218 HD3 PRO 33 HD3 PRO 33 -3.098 36.248 9.814
219 H ASP 34 H ASP 34 -4.757 32.656 9.849
220 HA ASP 34 HA ASP 34 -7.402 31.493 10.210
221 HB2 ASP 34 HB2 ASP 34 -5.493 31.581 8.087
222 HB3 ASP 34 HB3 ASP 34 -5.788 29.894 8.497
223 H CYS 35 H CYS 35 -4.015 30.394 10.381
224 HA CYS 35 HA CYS 35 -4.903 28.240 12.182
225 HB2 CYS 35 HB2 CYS 35 -2.687 27.164 11.522
226 HB3 CYS 35 HB3 CYS 35 -3.929 27.231 10.277
227 HG CYS 35 HG CYS 35 -1.761 27.786 8.816
228 H GLY 36 H GLY 36 -2.320 30.605 11.606
229 HA2 GLY 36 HA2 GLY 36 -1.473 31.965 13.388
230 HA3 GLY 36 HA3 GLY 36 -1.866 30.673 14.512
231 H GLN 37 H GLN 37 -0.334 29.860 11.522
232 HA GLN 37 HA GLN 37 1.968 28.863 12.956
233 HB2 GLN 37 HB2 GLN 37 1.297 28.789 10.009
234 HB3 GLN 37 HB3 GLN 37 2.643 27.947 10.765
235 HG2 GLN 37 HG2 GLN 37 -0.228 27.480 11.519
236 HG3 GLN 37 HG3 GLN 37 0.619 26.552 10.282
237 HE21 GLN 37 HE21 GLN 37 1.691 24.809 10.902
238 HE22 GLN 37 HE22 GLN 37 2.111 24.409 12.529
239 H GLU 38 H GLU 38 4.104 29.496 12.659
240 HA GLU 38 HA GLU 38 4.523 32.262 12.210
241 HB2 GLU 38 HB2 GLU 38 5.876 30.414 13.592
242 HB3 GLU 38 HB3 GLU 38 6.833 30.394 12.118
243 HG2 GLU 38 HG2 GLU 38 7.956 32.111 12.945
244 HG3 GLU 38 HG3 GLU 38 6.513 33.086 12.675
245 H ILE 39 H ILE 39 4.495 33.205 10.286
246 HA ILE 39 HA ILE 39 5.453 31.704 7.947
247 HB ILE 39 HB ILE 39 3.867 34.268 7.911
248 HG12 ILE 39 HG12 ILE 39 2.858 31.421 7.719
249 HG13 ILE 39 HG13 ILE 39 2.583 32.518 9.067
250 HG21 ILE 39 HG21 ILE 39 5.206 33.569 5.893
251 HG22 ILE 39 HG22 ILE 39 4.141 32.169 5.774
252 HG23 ILE 39 HG23 ILE 39 3.478 33.796 5.622
253 HD11 ILE 39 HD11 ILE 39 0.702 32.219 7.389
254 HD12 ILE 39 HD12 ILE 39 1.149 33.871 7.814
255 HD13 ILE 39 HD13 ILE 39 1.689 33.178 6.285
256 H SER 40 H SER 40 7.465 32.123 7.345
257 HA SER 40 HA SER 40 8.530 34.837 7.772
258 HB2 SER 40 HB2 SER 40 10.048 32.223 7.580
259 HB3 SER 40 HB3 SER 40 10.766 33.814 7.836
260 HG SER 40 HG SER 40 10.036 32.216 9.693
261 H ARG 41 H ARG 41 8.496 35.959 5.942
262 HA ARG 41 HA ARG 41 9.193 34.573 3.436
263 HB2 ARG 41 HB2 ARG 41 7.520 37.072 3.733
264 HB3 ARG 41 HB3 ARG 41 7.828 36.184 2.248
265 HG2 ARG 41 HG2 ARG 41 6.439 34.426 2.861
266 HG3 ARG 41 HG3 ARG 41 6.485 34.862 4.571
267 HD2 ARG 41 HD2 ARG 41 4.328 35.418 3.561
268 HD3 ARG 41 HD3 ARG 41 5.177 36.863 4.109
269 HE ARG 41 HE ARG 41 5.758 36.378 1.391
270 HH11 ARG 41 HH11 ARG 41 3.185 37.463 3.470
271 HH12 ARG 41 HH12 ARG 41 2.440 38.446 2.254
272 HH21 ARG 41 HH21 ARG 41 4.787 37.669 -0.219
273 HH22 ARG 41 HH22 ARG 41 3.351 38.562 0.155
274 H CYS 42 H CYS 42 10.856 35.328 2.254
275 HA CYS 42 HA CYS 42 12.770 37.020 3.363
276 HB2 CYS 42 HB2 CYS 42 12.948 35.306 1.412
277 HB3 CYS 42 HB3 CYS 42 12.517 36.673 0.391
278 HG CYS 42 HG CYS 42 15.076 36.988 0.032
279 H SER 43 H SER 43 13.568 39.086 2.482
280 HA SER 43 HA SER 43 11.735 41.123 2.674
281 HB2 SER 43 HB2 SER 43 13.976 41.718 0.854
282 HB3 SER 43 HB3 SER 43 13.509 42.501 2.364
283 HG SER 43 HG SER 43 15.512 41.406 2.545
284 H LYS 44 H LYS 44 12.671 39.293 -0.159
285 HA LYS 44 HA LYS 44 11.709 40.881 -2.202
286 HB2 LYS 44 HB2 LYS 44 11.538 37.870 -1.987
287 HB3 LYS 44 HB3 LYS 44 11.384 38.795 -3.474
288 HG2 LYS 44 HG2 LYS 44 13.842 39.081 -1.809
289 HG3 LYS 44 HG3 LYS 44 13.646 37.674 -2.856
290 HD2 LYS 44 HD2 LYS 44 13.747 38.922 -4.780
291 HD3 LYS 44 HD3 LYS 44 13.137 40.380 -3.994
292 HE2 LYS 44 HE2 LYS 44 15.306 40.537 -2.770
293 HE3 LYS 44 HE3 LYS 44 15.895 39.187 -3.740
294 HZ1 LYS 44 HZ1 LYS 44 15.353 41.953 -4.538
295 HZ2 LYS 44 HZ2 LYS 44 16.637 40.938 -4.968
296 HZ3 LYS 44 HZ3 LYS 44 15.119 40.733 -5.688
297 H CYS 45 H CYS 45 9.944 38.931 0.100
298 HA CYS 45 HA CYS 45 7.474 38.738 -1.150
299 HB2 CYS 45 HB2 CYS 45 6.581 38.205 0.947
300 HB3 CYS 45 HB3 CYS 45 8.273 37.748 1.097
301 HG CYS 45 HG CYS 45 6.526 39.837 2.924
302 H ARG 46 H ARG 46 9.042 41.487 0.237
303 HA ARG 46 HA ARG 46 6.981 43.165 0.915
304 HB2 ARG 46 HB2 ARG 46 9.642 43.699 -0.374
305 HB3 ARG 46 HB3 ARG 46 8.530 45.015 -0.021
306 HG2 ARG 46 HG2 ARG 46 8.504 44.144 2.367
307 HG3 ARG 46 HG3 ARG 46 9.894 43.161 1.902
308 HD2 ARG 46 HD2 ARG 46 10.074 45.991 1.142
309 HD3 ARG 46 HD3 ARG 46 10.038 45.695 2.880
310 HE ARG 46 HE ARG 46 12.108 44.678 2.733
311 HH11 ARG 46 HH11 ARG 46 10.857 45.347 -0.446
312 HH12 ARG 46 HH12 ARG 46 12.359 45.024 -1.247
313 HH21 ARG 46 HH21 ARG 46 14.091 44.250 1.690
314 HH22 ARG 46 HH22 ARG 46 14.197 44.399 -0.031
315 H LYS 47 H LYS 47 8.097 42.283 -2.293
316 HA LYS 47 HA LYS 47 6.381 44.193 -3.616
317 HB2 LYS 47 HB2 LYS 47 8.376 42.155 -4.458
318 HB3 LYS 47 HB3 LYS 47 7.133 42.591 -5.623
319 HG2 LYS 47 HG2 LYS 47 7.783 44.939 -5.441
320 HG3 LYS 47 HG3 LYS 47 9.033 44.500 -4.274
321 HD2 LYS 47 HD2 LYS 47 10.149 43.140 -5.955
322 HD3 LYS 47 HD3 LYS 47 8.875 43.505 -7.120
323 HE2 LYS 47 HE2 LYS 47 10.761 44.916 -7.579
324 HE3 LYS 47 HE3 LYS 47 9.463 45.911 -6.922
325 HZ1 LYS 47 HZ1 LYS 47 12.074 45.337 -5.833
326 HZ2 LYS 47 HZ2 LYS 47 11.056 46.661 -5.564
327 HZ3 LYS 47 HZ3 LYS 47 10.816 45.222 -4.707
328 H GLN 48 H GLN 48 6.335 40.780 -2.808
329 HA GLN 48 HA GLN 48 3.967 40.249 -4.369
330 HB2 GLN 48 HB2 GLN 48 5.807 38.569 -3.866
331 HB3 GLN 48 HB3 GLN 48 5.162 38.489 -2.232
332 HG2 GLN 48 HG2 GLN 48 3.311 37.340 -2.864
333 HG3 GLN 48 HG3 GLN 48 3.263 38.079 -4.464
334 HE21 GLN 48 HE21 GLN 48 3.368 35.230 -3.230
335 HE22 GLN 48 HE22 GLN 48 4.503 34.418 -4.248
336 H SER 49 H SER 49 4.425 41.927 -1.621
337 HA SER 49 HA SER 49 2.630 40.962 0.255
338 HB2 SER 49 HB2 SER 49 3.046 43.889 -0.382
339 HB3 SER 49 HB3 SER 49 2.561 43.190 1.162
340 HG SER 49 HG SER 49 4.580 42.438 1.474
341 H ASN 50 H ASN 50 2.035 42.696 -2.724
342 HA ASN 50 HA ASN 50 -0.555 43.579 -2.360
343 HB2 ASN 50 HB2 ASN 50 0.463 42.342 -4.922
344 HB3 ASN 50 HB3 ASN 50 -0.775 43.583 -4.748
345 HD21 ASN 50 HD21 ASN 50 0.205 45.453 -3.228
346 HD22 ASN 50 HD22 ASN 50 1.684 46.101 -3.843
347 H LEU 51 H LEU 51 0.610 40.336 -2.993
348 HA LEU 51 HA LEU 51 -1.951 39.246 -2.213
349 HB2 LEU 51 HB2 LEU 51 -1.858 39.697 -4.784
350 HB3 LEU 51 HB3 LEU 51 -0.852 38.250 -4.805
351 HG LEU 51 HG LEU 51 -3.184 37.756 -5.358
352 HD11 LEU 51 HD11 LEU 51 -3.436 35.864 -3.955
353 HD12 LEU 51 HD12 LEU 51 -1.702 36.134 -4.133
354 HD13 LEU 51 HD13 LEU 51 -2.523 36.623 -2.650
355 HD21 LEU 51 HD21 LEU 51 -3.694 39.499 -3.151
356 HD22 LEU 51 HD22 LEU 51 -4.831 38.806 -4.308
357 HD23 LEU 51 HD23 LEU 51 -4.427 37.926 -2.834
358 H TYR 52 H TYR 52 -1.490 37.688 -0.822
359 HA TYR 52 HA TYR 52 0.816 35.943 -1.359
360 HB2 TYR 52 HB2 TYR 52 1.560 36.036 0.881
361 HB3 TYR 52 HB3 TYR 52 1.247 37.709 0.436
362 HD1 TYR 52 HD1 TYR 52 -1.264 38.487 0.969
363 HD2 TYR 52 HD2 TYR 52 0.800 35.330 2.938
364 HE1 TYR 52 HE1 TYR 52 -2.758 38.728 2.908
365 HE2 TYR 52 HE2 TYR 52 -0.689 35.561 4.882
366 HH TYR 52 HH TYR 52 -3.026 36.435 5.316
367 H GLU 53 H GLU 53 0.704 34.002 0.276
368 HA GLU 53 HA GLU 53 -1.961 33.162 0.977
369 HB2 GLU 53 HB2 GLU 53 -2.009 32.627 -1.384
370 HB3 GLU 53 HB3 GLU 53 -0.468 31.790 -1.262
371 HG2 GLU 53 HG2 GLU 53 -1.577 30.191 0.323
372 HG3 GLU 53 HG3 GLU 53 -3.109 30.954 -0.100
373 H CYS 54 H CYS 54 -1.818 32.006 2.779
374 HA CYS 54 HA CYS 54 0.659 31.277 3.914
375 HB2 CYS 54 HB2 CYS 54 -1.369 31.807 5.236
376 HB3 CYS 54 HB3 CYS 54 -2.107 30.313 4.672
377 HG CYS 54 HG CYS 54 -0.552 30.671 7.383
378 HA PRO 55 HA PRO 55 1.138 27.483 1.580
379 HB2 PRO 55 HB2 PRO 55 3.613 26.919 2.544
380 HB3 PRO 55 HB3 PRO 55 3.326 28.112 1.271
381 HG2 PRO 55 HG2 PRO 55 3.756 28.536 4.203
382 HG3 PRO 55 HG3 PRO 55 4.425 29.440 2.832
383 HD2 PRO 55 HD2 PRO 55 2.317 30.335 4.277
384 HD3 PRO 55 HD3 PRO 55 2.499 30.675 2.545
385 H ASP 56 H ASP 56 0.952 27.990 4.946
386 HA ASP 56 HA ASP 56 1.359 25.245 5.725
387 HB2 ASP 56 HB2 ASP 56 0.025 27.359 7.405
388 HB3 ASP 56 HB3 ASP 56 0.953 25.959 7.938
389 H CYS 57 H CYS 57 -1.462 27.431 5.780
390 HA CYS 57 HA CYS 57 -3.195 25.055 5.699
391 HB2 CYS 57 HB2 CYS 57 -4.969 26.530 6.570
392 HB3 CYS 57 HB3 CYS 57 -3.572 26.486 7.638
393 HG CYS 57 HG CYS 57 -4.092 29.065 7.856
394 H GLY 58 H GLY 58 -1.814 26.531 3.439
395 HA2 GLY 58 HA2 GLY 58 -2.312 27.373 1.347
396 HA3 GLY 58 HA3 GLY 58 -3.573 26.149 1.403
397 H PHE 59 H PHE 59 -3.270 29.109 3.327
398 HA PHE 59 HA PHE 59 -5.970 29.851 2.521
399 HB2 PHE 59 HB2 PHE 59 -5.568 29.958 4.881
400 HB3 PHE 59 HB3 PHE 59 -4.107 30.911 4.648
401 HD1 PHE 59 HD1 PHE 59 -7.561 31.253 3.288
402 HD2 PHE 59 HD2 PHE 59 -4.422 32.987 5.580
403 HE1 PHE 59 HE1 PHE 59 -8.877 33.318 3.521
404 HE2 PHE 59 HE2 PHE 59 -5.733 35.055 5.817
405 HZ PHE 59 HZ PHE 59 -7.965 35.222 4.788
406 H MET 60 H MET 60 -6.194 31.047 0.754
407 HA MET 60 HA MET 60 -4.046 32.716 -0.215
408 HB2 MET 60 HB2 MET 60 -6.838 32.233 -1.267
409 HB3 MET 60 HB3 MET 60 -5.618 33.199 -2.086
410 HG2 MET 60 HG2 MET 60 -4.579 30.603 -1.407
411 HG3 MET 60 HG3 MET 60 -6.068 30.465 -2.340
412 HE1 MET 60 HE1 MET 60 -5.247 31.363 -5.797
413 HE2 MET 60 HE2 MET 60 -6.358 30.723 -4.585
414 HE3 MET 60 HE3 MET 60 -6.153 32.466 -4.761
415 H GLY 61 H GLY 61 -3.772 34.792 0.264
416 HA2 GLY 61 HA2 GLY 61 -6.131 36.375 1.054
417 HA3 GLY 61 HA3 GLY 61 -4.669 36.411 2.029
418 HA PRO 62 HA PRO 62 -4.626 39.722 -1.342
419 HB2 PRO 62 HB2 PRO 62 -4.741 41.876 0.307
420 HB3 PRO 62 HB3 PRO 62 -6.182 41.092 -0.350
421 HG2 PRO 62 HG2 PRO 62 -4.923 40.787 2.349
422 HG3 PRO 62 HG3 PRO 62 -6.638 40.938 1.925
423 HD2 PRO 62 HD2 PRO 62 -5.483 38.556 2.493
424 HD3 PRO 62 HD3 PRO 62 -6.818 38.718 1.334
Start of MODEL 16
1 H1 GLY 1 H GLY 1 -0.093 20.532 -11.918
2 HA2 GLY 1 HA2 GLY 1 2.134 22.026 -10.984
3 HA3 GLY 1 HA3 GLY 1 0.634 22.788 -10.474
4 H ALA 2 H ALA 2 2.955 20.518 -9.690
5 HA ALA 2 HA ALA 2 1.140 19.126 -7.835
6 HB1 ALA 2 HB1 ALA 2 3.477 18.252 -9.394
7 HB2 ALA 2 HB2 ALA 2 3.402 17.650 -7.738
8 HB3 ALA 2 HB3 ALA 2 2.067 17.343 -8.849
9 H MET 3 H MET 3 1.236 19.764 -5.792
10 HA MET 3 HA MET 3 3.393 21.420 -4.846
11 HB2 MET 3 HB2 MET 3 2.103 21.570 -2.781
12 HB3 MET 3 HB3 MET 3 1.071 21.860 -4.174
13 HG2 MET 3 HG2 MET 3 0.285 19.524 -4.030
14 HG3 MET 3 HG3 MET 3 1.251 19.322 -2.570
15 HE1 MET 3 HE1 MET 3 -2.586 21.699 -3.147
16 HE2 MET 3 HE2 MET 3 -1.129 22.649 -3.439
17 HE3 MET 3 HE3 MET 3 -1.431 21.186 -4.376
18 H GLY 4 H GLY 4 5.123 20.814 -3.698
19 HA2 GLY 4 HA2 GLY 4 5.322 17.979 -2.943
20 HA3 GLY 4 HA3 GLY 4 6.679 19.060 -3.218
21 H SER 5 H SER 5 3.791 19.552 -1.221
22 HA SER 5 HA SER 5 5.561 20.093 1.053
23 HB2 SER 5 HB2 SER 5 3.407 21.070 2.046
24 HB3 SER 5 HB3 SER 5 4.121 21.933 0.684
25 HG SER 5 HG SER 5 1.721 20.608 0.869
26 H GLU 6 H GLU 6 2.531 18.392 0.285
27 HA GLU 6 HA GLU 6 2.281 17.101 2.779
28 HB2 GLU 6 HB2 GLU 6 0.599 17.390 0.761
29 HB3 GLU 6 HB3 GLU 6 1.241 15.823 0.288
30 HG2 GLU 6 HG2 GLU 6 0.681 15.075 2.663
31 HG3 GLU 6 HG3 GLU 6 -0.279 16.549 2.764
32 H SER 7 H SER 7 3.567 15.947 -0.332
33 HA SER 7 HA SER 7 4.232 13.365 0.399
34 HB2 SER 7 HB2 SER 7 4.379 14.147 -1.909
35 HB3 SER 7 HB3 SER 7 5.720 15.211 -1.484
36 HG SER 7 HG SER 7 7.032 13.574 -1.594
37 H GLU 8 H GLU 8 6.352 16.231 0.507
38 HA GLU 8 HA GLU 8 7.714 15.097 2.822
39 HB2 GLU 8 HB2 GLU 8 9.035 15.707 0.191
40 HB3 GLU 8 HB3 GLU 8 9.940 15.769 1.697
41 HG2 GLU 8 HG2 GLU 8 8.459 13.369 0.647
42 HG3 GLU 8 HG3 GLU 8 10.199 13.629 0.546
43 H GLN 9 H GLN 9 8.878 16.637 4.059
44 HA GLN 9 HA GLN 9 8.992 19.389 3.289
45 HB2 GLN 9 HB2 GLN 9 7.524 20.148 5.220
46 HB3 GLN 9 HB3 GLN 9 6.692 19.485 3.819
47 HG2 GLN 9 HG2 GLN 9 6.335 17.399 4.944
48 HG3 GLN 9 HG3 GLN 9 7.323 17.919 6.308
49 HE21 GLN 9 HE21 GLN 9 5.421 17.369 7.562
50 HE22 GLN 9 HE22 GLN 9 4.152 18.530 7.724
51 H ARG 10 H ARG 10 10.131 20.694 4.801
52 HA ARG 10 HA ARG 10 11.643 19.109 6.767
53 HB2 ARG 10 HB2 ARG 10 13.322 21.023 6.550
54 HB3 ARG 10 HB3 ARG 10 13.168 19.935 5.177
55 HG2 ARG 10 HG2 ARG 10 11.497 22.386 5.195
56 HG3 ARG 10 HG3 ARG 10 13.226 22.559 4.891
57 HD2 ARG 10 HD2 ARG 10 11.745 20.453 3.407
58 HD3 ARG 10 HD3 ARG 10 11.494 22.132 2.933
59 HE ARG 10 HE ARG 10 14.233 21.745 3.104
60 HH11 ARG 10 HH11 ARG 10 11.562 20.521 1.236
61 HH12 ARG 10 HH12 ARG 10 12.523 20.197 -0.168
62 HH21 ARG 10 HH21 ARG 10 15.509 21.323 1.260
63 HH22 ARG 10 HH22 ARG 10 14.768 20.653 -0.153
64 H HIS 11 H HIS 11 12.120 20.019 8.807
65 HA HIS 11 HA HIS 11 10.074 21.884 9.731
66 HB2 HIS 11 HB2 HIS 11 12.059 20.228 11.303
67 HB3 HIS 11 HB3 HIS 11 10.755 21.192 11.990
68 HD1 HIS 11 HD1 HIS 11 11.372 17.884 11.738
69 HD2 HIS 11 HD2 HIS 11 8.251 20.172 10.226
70 HE1 HIS 11 HE1 HIS 11 9.477 16.273 11.364
71 H ALA 12 H ALA 12 11.088 23.724 8.680
72 HA ALA 12 HA ALA 12 12.823 25.128 10.486
73 HB1 ALA 12 HB1 ALA 12 14.756 24.539 9.544
74 HB2 ALA 12 HB2 ALA 12 13.949 23.799 8.162
75 HB3 ALA 12 HB3 ALA 12 14.270 25.533 8.171
76 H HIS 13 H HIS 13 13.004 27.375 9.992
77 HA HIS 13 HA HIS 13 10.680 28.444 8.749
78 HB2 HIS 13 HB2 HIS 13 13.067 29.544 10.139
79 HB3 HIS 13 HB3 HIS 13 12.186 30.636 9.075
80 HD1 HIS 13 HD1 HIS 13 11.847 31.781 11.577
81 HD2 HIS 13 HD2 HIS 13 9.671 28.355 10.691
82 HE1 HIS 13 HE1 HIS 13 9.947 31.747 13.224
83 H GLN 14 H GLN 14 10.468 28.268 6.599
84 HA GLN 14 HA GLN 14 12.635 29.354 4.933
85 HB2 GLN 14 HB2 GLN 14 11.257 26.738 4.740
86 HB3 GLN 14 HB3 GLN 14 11.531 27.589 3.226
87 HG2 GLN 14 HG2 GLN 14 13.752 27.252 3.281
88 HG3 GLN 14 HG3 GLN 14 13.846 27.443 5.031
89 HE21 GLN 14 HE21 GLN 14 14.378 25.327 2.658
90 HE22 GLN 14 HE22 GLN 14 14.093 23.838 3.487
91 H CYS 15 H CYS 15 11.890 30.089 2.786
92 HA CYS 15 HA CYS 15 9.710 31.844 3.010
93 HB2 CYS 15 HB2 CYS 15 11.720 32.029 1.453
94 HB3 CYS 15 HB3 CYS 15 10.887 30.891 0.402
95 HG CYS 15 HG CYS 15 8.841 33.343 1.182
96 H VAL 16 H VAL 16 7.627 31.778 2.265
97 HA VAL 16 HA VAL 16 6.433 29.194 1.996
98 HB VAL 16 HB VAL 16 4.320 30.353 1.815
99 HG11 VAL 16 HG11 VAL 16 6.210 31.537 3.836
100 HG12 VAL 16 HG12 VAL 16 4.467 31.801 3.869
101 HG13 VAL 16 HG13 VAL 16 5.115 30.170 4.045
102 HG21 VAL 16 HG21 VAL 16 4.622 32.140 0.375
103 HG22 VAL 16 HG22 VAL 16 4.459 32.946 1.935
104 HG23 VAL 16 HG23 VAL 16 6.056 32.715 1.224
105 H SER 17 H SER 17 7.505 31.661 -0.201
106 HA SER 17 HA SER 17 6.019 30.690 -2.460
107 HB2 SER 17 HB2 SER 17 7.163 33.067 -1.945
108 HB3 SER 17 HB3 SER 17 8.461 32.330 -2.886
109 HG SER 17 HG SER 17 5.939 33.153 -3.673
110 H CYS 18 H CYS 18 9.524 30.812 -1.789
111 HA CYS 18 HA CYS 18 9.843 28.448 -3.511
112 HB2 CYS 18 HB2 CYS 18 11.581 30.803 -2.920
113 HB3 CYS 18 HB3 CYS 18 12.355 29.270 -3.308
114 HG CYS 18 HG CYS 18 9.930 30.214 -5.434
115 H GLY 19 H GLY 19 11.861 29.805 -0.915
116 HA2 GLY 19 HA2 GLY 19 11.472 28.254 1.210
117 HA3 GLY 19 HA3 GLY 19 12.259 27.113 0.129
118 H ILE 20 H ILE 20 12.935 30.566 0.436
119 HA ILE 20 HA ILE 20 15.697 30.303 0.435
120 HB ILE 20 HB ILE 20 14.052 32.503 1.690
121 HG12 ILE 20 HG12 ILE 20 15.202 33.382 -0.698
122 HG13 ILE 20 HG13 ILE 20 14.633 31.755 -1.056
123 HG21 ILE 20 HG21 ILE 20 16.961 32.442 0.901
124 HG22 ILE 20 HG22 ILE 20 16.075 33.884 1.399
125 HG23 ILE 20 HG23 ILE 20 16.314 32.559 2.538
126 HD11 ILE 20 HD11 ILE 20 13.124 33.993 -1.220
127 HD12 ILE 20 HD12 ILE 20 12.485 32.365 -0.993
128 HD13 ILE 20 HD13 ILE 20 12.718 33.423 0.399
129 H ASN 21 H ASN 21 17.269 30.213 2.009
130 HA ASN 21 HA ASN 21 16.513 28.951 4.472
131 HB2 ASN 21 HB2 ASN 21 19.018 29.051 4.910
132 HB3 ASN 21 HB3 ASN 21 18.516 28.151 3.482
133 HD21 ASN 21 HD21 ASN 21 19.180 28.798 1.509
134 HD22 ASN 21 HD22 ASN 21 20.217 30.152 1.230
135 H ILE 22 H ILE 22 15.198 31.113 4.822
136 HA ILE 22 HA ILE 22 16.851 33.102 6.197
137 HB ILE 22 HB ILE 22 14.774 34.453 6.301
138 HG12 ILE 22 HG12 ILE 22 13.598 32.275 4.562
139 HG13 ILE 22 HG13 ILE 22 13.205 32.511 6.261
140 HG21 ILE 22 HG21 ILE 22 14.768 33.964 3.462
141 HG22 ILE 22 HG22 ILE 22 15.396 35.343 4.363
142 HG23 ILE 22 HG23 ILE 22 16.409 33.923 4.106
143 HD11 ILE 22 HD11 ILE 22 11.711 34.064 5.764
144 HD12 ILE 22 HD12 ILE 22 12.870 34.954 4.778
145 HD13 ILE 22 HD13 ILE 22 11.934 33.639 4.067
146 H ALA 23 H ALA 23 16.383 30.456 7.327
147 HA ALA 23 HA ALA 23 14.476 30.790 9.466
148 HB1 ALA 23 HB1 ALA 23 15.911 28.612 10.188
149 HB2 ALA 23 HB2 ALA 23 14.538 28.575 9.082
150 HB3 ALA 23 HB3 ALA 23 16.182 28.626 8.446
151 H GLY 24 H GLY 24 14.897 32.027 11.171
152 HA2 GLY 24 HA2 GLY 24 16.141 32.260 13.233
153 HA3 GLY 24 HA3 GLY 24 17.608 31.920 12.327
154 H MET 25 H MET 25 16.602 33.728 10.128
155 HA MET 25 HA MET 25 17.803 36.133 11.159
156 HB2 MET 25 HB2 MET 25 17.688 36.956 8.901
157 HB3 MET 25 HB3 MET 25 18.227 35.282 8.856
158 HG2 MET 25 HG2 MET 25 16.519 34.682 7.582
159 HG3 MET 25 HG3 MET 25 15.358 35.450 8.662
160 HE1 MET 25 HE1 MET 25 17.587 37.611 5.263
161 HE2 MET 25 HE2 MET 25 18.327 36.607 6.509
162 HE3 MET 25 HE3 MET 25 17.367 35.862 5.231
163 H SER 26 H SER 26 16.598 38.232 10.122
164 HA SER 26 HA SER 26 13.995 38.264 11.474
165 HB2 SER 26 HB2 SER 26 15.750 39.895 12.193
166 HB3 SER 26 HB3 SER 26 15.682 40.616 10.585
167 HG SER 26 HG SER 26 14.201 41.255 12.607
168 H ALA 27 H ALA 27 13.276 37.076 9.437
169 HA ALA 27 HA ALA 27 12.822 38.860 7.167
170 HB1 ALA 27 HB1 ALA 27 11.656 36.242 6.869
171 HB2 ALA 27 HB2 ALA 27 12.915 37.027 5.916
172 HB3 ALA 27 HB3 ALA 27 13.343 36.128 7.371
173 H ALA 28 H ALA 28 10.586 38.609 6.117
174 HA ALA 28 HA ALA 28 8.653 39.719 7.774
175 HB1 ALA 28 HB1 ALA 28 8.011 38.156 5.286
176 HB2 ALA 28 HB2 ALA 28 7.150 39.538 5.962
177 HB3 ALA 28 HB3 ALA 28 8.746 39.759 5.246
178 H THR 29 H THR 29 8.085 38.666 9.606
179 HA THR 29 HA THR 29 7.070 35.912 9.338
180 HB THR 29 HB THR 29 7.646 37.010 12.037
181 HG1 THR 29 HG1 THR 29 9.681 36.232 10.196
182 HG21 THR 29 HG21 THR 29 8.431 34.353 10.869
183 HG22 THR 29 HG22 THR 29 8.150 34.775 12.559
184 HG23 THR 29 HG23 THR 29 6.792 34.669 11.439
185 H PHE 30 H PHE 30 5.036 35.422 10.003
186 HA PHE 30 HA PHE 30 3.481 37.280 11.575
187 HB2 PHE 30 HB2 PHE 30 1.821 37.797 9.977
188 HB3 PHE 30 HB3 PHE 30 3.349 38.057 9.142
189 HD1 PHE 30 HD1 PHE 30 4.251 35.902 7.874
190 HD2 PHE 30 HD2 PHE 30 0.180 36.645 8.870
191 HE1 PHE 30 HE1 PHE 30 3.538 34.368 6.088
192 HE2 PHE 30 HE2 PHE 30 -0.540 35.111 7.086
193 HZ PHE 30 HZ PHE 30 1.140 33.970 5.693
194 H LYS 31 H LYS 31 1.315 36.417 12.079
195 HA LYS 31 HA LYS 31 1.432 33.500 12.283
196 HB2 LYS 31 HB2 LYS 31 1.131 34.578 14.393
197 HB3 LYS 31 HB3 LYS 31 -0.162 35.591 13.763
198 HG2 LYS 31 HG2 LYS 31 -1.566 33.594 13.484
199 HG3 LYS 31 HG3 LYS 31 -0.275 32.610 14.177
200 HD2 LYS 31 HD2 LYS 31 -1.389 34.966 15.660
201 HD3 LYS 31 HD3 LYS 31 -2.191 33.395 15.716
202 HE2 LYS 31 HE2 LYS 31 0.738 33.619 16.286
203 HE3 LYS 31 HE3 LYS 31 -0.441 34.014 17.536
204 HZ1 LYS 31 HZ1 LYS 31 -1.258 31.845 17.550
205 HZ2 LYS 31 HZ2 LYS 31 -0.543 31.450 16.068
206 HZ3 LYS 31 HZ3 LYS 31 0.419 31.642 17.447
207 H CYS 32 H CYS 32 0.181 32.237 11.079
208 HA CYS 32 HA CYS 32 -1.573 33.280 9.125
209 HB2 CYS 32 HB2 CYS 32 -0.310 31.090 9.011
210 HB3 CYS 32 HB3 CYS 32 -1.507 30.428 10.117
211 HG CYS 32 HG CYS 32 -1.822 31.216 6.845
212 HA PRO 33 HA PRO 33 -5.163 33.831 11.679
213 HB2 PRO 33 HB2 PRO 33 -6.870 34.467 9.666
214 HB3 PRO 33 HB3 PRO 33 -5.671 35.599 10.303
215 HG2 PRO 33 HG2 PRO 33 -5.548 33.893 7.846
216 HG3 PRO 33 HG3 PRO 33 -5.064 35.586 8.058
217 HD2 PRO 33 HD2 PRO 33 -3.278 33.550 8.051
218 HD3 PRO 33 HD3 PRO 33 -3.046 35.020 9.019
219 H ASP 34 H ASP 34 -4.606 31.406 9.397
220 HA ASP 34 HA ASP 34 -7.240 30.195 9.629
221 HB2 ASP 34 HB2 ASP 34 -5.718 30.204 7.522
222 HB3 ASP 34 HB3 ASP 34 -4.869 28.888 8.328
223 H CYS 35 H CYS 35 -3.878 29.261 10.362
224 HA CYS 35 HA CYS 35 -4.939 27.391 12.376
225 HB2 CYS 35 HB2 CYS 35 -2.653 26.283 12.135
226 HB3 CYS 35 HB3 CYS 35 -3.758 26.113 10.776
227 HG CYS 35 HG CYS 35 -2.497 28.236 9.331
228 H GLY 36 H GLY 36 -2.330 29.702 11.701
229 HA2 GLY 36 HA2 GLY 36 -1.721 31.354 13.338
230 HA3 GLY 36 HA3 GLY 36 -2.172 30.214 14.597
231 H GLN 37 H GLN 37 -0.366 28.998 11.931
232 HA GLN 37 HA GLN 37 1.847 28.384 13.686
233 HB2 GLN 37 HB2 GLN 37 1.492 27.765 10.749
234 HB3 GLN 37 HB3 GLN 37 2.706 27.072 11.817
235 HG2 GLN 37 HG2 GLN 37 -0.219 26.764 12.378
236 HG3 GLN 37 HG3 GLN 37 0.628 25.684 11.271
237 HE21 GLN 37 HE21 GLN 37 -0.311 24.265 13.094
238 HE22 GLN 37 HE22 GLN 37 0.781 23.901 14.382
239 H GLU 38 H GLU 38 3.638 29.548 13.887
240 HA GLU 38 HA GLU 38 4.058 32.019 12.735
241 HB2 GLU 38 HB2 GLU 38 5.243 30.886 14.735
242 HB3 GLU 38 HB3 GLU 38 6.360 30.258 13.531
243 HG2 GLU 38 HG2 GLU 38 6.677 32.672 12.799
244 HG3 GLU 38 HG3 GLU 38 5.852 33.113 14.293
245 H ILE 39 H ILE 39 4.279 32.508 10.660
246 HA ILE 39 HA ILE 39 5.667 30.627 8.885
247 HB ILE 39 HB ILE 39 4.170 33.028 7.903
248 HG12 ILE 39 HG12 ILE 39 2.960 30.375 8.709
249 HG13 ILE 39 HG13 ILE 39 2.621 31.942 9.435
250 HG21 ILE 39 HG21 ILE 39 5.607 31.554 6.434
251 HG22 ILE 39 HG22 ILE 39 4.412 30.284 6.699
252 HG23 ILE 39 HG23 ILE 39 3.940 31.787 5.907
253 HD11 ILE 39 HD11 ILE 39 1.344 30.685 7.243
254 HD12 ILE 39 HD12 ILE 39 0.976 32.237 7.996
255 HD13 ILE 39 HD13 ILE 39 2.124 32.156 6.660
256 H SER 40 H SER 40 7.456 31.194 7.735
257 HA SER 40 HA SER 40 8.581 33.863 8.285
258 HB2 SER 40 HB2 SER 40 10.824 32.674 7.882
259 HB3 SER 40 HB3 SER 40 9.990 32.326 9.396
260 HG SER 40 HG SER 40 10.204 30.721 7.083
261 H ARG 41 H ARG 41 8.505 35.106 6.543
262 HA ARG 41 HA ARG 41 8.965 33.866 3.909
263 HB2 ARG 41 HB2 ARG 41 7.195 36.176 4.700
264 HB3 ARG 41 HB3 ARG 41 7.663 35.875 3.032
265 HG2 ARG 41 HG2 ARG 41 6.359 34.012 2.853
266 HG3 ARG 41 HG3 ARG 41 6.462 33.640 4.575
267 HD2 ARG 41 HD2 ARG 41 4.211 34.391 3.874
268 HD3 ARG 41 HD3 ARG 41 4.938 35.428 5.102
269 HE ARG 41 HE ARG 41 5.616 36.667 2.810
270 HH11 ARG 41 HH11 ARG 41 2.586 35.473 4.040
271 HH12 ARG 41 HH12 ARG 41 1.634 36.666 3.221
272 HH21 ARG 41 HH21 ARG 41 4.373 38.244 1.727
273 HH22 ARG 41 HH22 ARG 41 2.651 38.241 1.905
274 H CYS 42 H CYS 42 10.346 34.876 2.476
275 HA CYS 42 HA CYS 42 12.320 36.606 3.671
276 HB2 CYS 42 HB2 CYS 42 12.680 34.660 1.971
277 HB3 CYS 42 HB3 CYS 42 12.272 35.870 0.761
278 HG CYS 42 HG CYS 42 14.547 37.053 2.841
279 H SER 43 H SER 43 13.093 38.565 2.531
280 HA SER 43 HA SER 43 11.168 40.523 2.361
281 HB2 SER 43 HB2 SER 43 13.932 40.356 1.170
282 HB3 SER 43 HB3 SER 43 12.934 41.799 0.996
283 HG SER 43 HG SER 43 14.357 41.835 2.836
284 H LYS 44 H LYS 44 12.605 38.661 -0.294
285 HA LYS 44 HA LYS 44 11.413 39.913 -2.450
286 HB2 LYS 44 HB2 LYS 44 11.906 36.944 -2.149
287 HB3 LYS 44 HB3 LYS 44 11.712 37.815 -3.665
288 HG2 LYS 44 HG2 LYS 44 13.870 38.645 -1.788
289 HG3 LYS 44 HG3 LYS 44 14.087 37.194 -2.769
290 HD2 LYS 44 HD2 LYS 44 13.889 38.412 -4.786
291 HD3 LYS 44 HD3 LYS 44 13.268 39.838 -3.950
292 HE2 LYS 44 HE2 LYS 44 15.441 40.118 -2.843
293 HE3 LYS 44 HE3 LYS 44 16.055 38.705 -3.702
294 HZ1 LYS 44 HZ1 LYS 44 16.744 40.246 -5.161
295 HZ2 LYS 44 HZ2 LYS 44 15.151 40.184 -5.728
296 HZ3 LYS 44 HZ3 LYS 44 15.621 41.407 -4.657
297 H CYS 45 H CYS 45 10.040 37.657 -0.158
298 HA CYS 45 HA CYS 45 7.739 36.908 -1.561
299 HB2 CYS 45 HB2 CYS 45 8.728 36.118 0.752
300 HB3 CYS 45 HB3 CYS 45 7.630 37.331 1.398
301 HG CYS 45 HG CYS 45 5.324 36.165 0.446
302 H ARG 46 H ARG 46 8.551 39.844 0.109
303 HA ARG 46 HA ARG 46 6.102 40.945 0.689
304 HB2 ARG 46 HB2 ARG 46 7.149 43.042 0.708
305 HB3 ARG 46 HB3 ARG 46 8.454 41.913 1.046
306 HG2 ARG 46 HG2 ARG 46 9.107 42.012 -1.334
307 HG3 ARG 46 HG3 ARG 46 7.854 43.227 -1.595
308 HD2 ARG 46 HD2 ARG 46 9.367 44.766 -1.054
309 HD3 ARG 46 HD3 ARG 46 9.285 44.156 0.598
310 HE ARG 46 HE ARG 46 11.071 42.508 -0.618
311 HH11 ARG 46 HH11 ARG 46 10.797 45.960 -0.265
312 HH12 ARG 46 HH12 ARG 46 12.508 46.231 -0.296
313 HH21 ARG 46 HH21 ARG 46 13.326 42.851 -0.660
314 HH22 ARG 46 HH22 ARG 46 13.946 44.461 -0.522
315 H LYS 47 H LYS 47 7.623 40.541 -2.433
316 HA LYS 47 HA LYS 47 5.711 42.191 -3.822
317 HB2 LYS 47 HB2 LYS 47 7.831 40.281 -4.817
318 HB3 LYS 47 HB3 LYS 47 6.825 41.269 -5.868
319 HG2 LYS 47 HG2 LYS 47 8.543 42.466 -3.720
320 HG3 LYS 47 HG3 LYS 47 9.152 42.131 -5.342
321 HD2 LYS 47 HD2 LYS 47 6.612 43.662 -5.058
322 HD3 LYS 47 HD3 LYS 47 8.137 44.484 -4.718
323 HE2 LYS 47 HE2 LYS 47 7.854 42.891 -7.226
324 HE3 LYS 47 HE3 LYS 47 7.123 44.492 -7.134
325 HZ1 LYS 47 HZ1 LYS 47 9.472 45.152 -6.278
326 HZ2 LYS 47 HZ2 LYS 47 9.962 43.741 -7.074
327 HZ3 LYS 47 HZ3 LYS 47 9.196 44.978 -7.938
328 H GLN 48 H GLN 48 6.196 38.767 -3.200
329 HA GLN 48 HA GLN 48 4.031 37.971 -4.940
330 HB2 GLN 48 HB2 GLN 48 5.949 36.549 -3.140
331 HB3 GLN 48 HB3 GLN 48 4.485 35.721 -3.652
332 HG2 GLN 48 HG2 GLN 48 6.392 36.987 -5.593
333 HG3 GLN 48 HG3 GLN 48 6.557 35.323 -5.035
334 HE21 GLN 48 HE21 GLN 48 5.793 33.925 -6.433
335 HE22 GLN 48 HE22 GLN 48 4.415 34.141 -7.452
336 H SER 49 H SER 49 4.088 39.455 -2.039
337 HA SER 49 HA SER 49 2.387 38.038 -0.366
338 HB2 SER 49 HB2 SER 49 2.296 41.040 -0.667
339 HB3 SER 49 HB3 SER 49 1.999 40.084 0.784
340 HG SER 49 HG SER 49 4.370 39.398 0.158
341 H ASN 50 H ASN 50 1.688 39.843 -3.255
342 HA ASN 50 HA ASN 50 -1.003 40.386 -2.992
343 HB2 ASN 50 HB2 ASN 50 0.121 41.202 -4.919
344 HB3 ASN 50 HB3 ASN 50 0.620 39.585 -5.405
345 HD21 ASN 50 HD21 ASN 50 -1.959 41.891 -5.334
346 HD22 ASN 50 HD22 ASN 50 -3.019 41.049 -6.408
347 H LEU 51 H LEU 51 0.579 37.328 -3.531
348 HA LEU 51 HA LEU 51 -1.906 35.936 -3.016
349 HB2 LEU 51 HB2 LEU 51 -1.525 36.384 -5.577
350 HB3 LEU 51 HB3 LEU 51 -0.408 35.029 -5.428
351 HG LEU 51 HG LEU 51 -2.287 33.641 -4.586
352 HD11 LEU 51 HD11 LEU 51 -3.994 34.838 -3.748
353 HD12 LEU 51 HD12 LEU 51 -3.670 36.226 -4.786
354 HD13 LEU 51 HD13 LEU 51 -4.561 34.841 -5.418
355 HD21 LEU 51 HD21 LEU 51 -3.040 33.097 -6.695
356 HD22 LEU 51 HD22 LEU 51 -3.120 34.780 -7.218
357 HD23 LEU 51 HD23 LEU 51 -1.557 33.976 -7.065
358 H TYR 52 H TYR 52 -1.046 35.020 -1.206
359 HA TYR 52 HA TYR 52 1.348 33.342 -1.568
360 HB2 TYR 52 HB2 TYR 52 1.898 33.668 0.706
361 HB3 TYR 52 HB3 TYR 52 1.419 35.258 0.121
362 HD1 TYR 52 HD1 TYR 52 -1.074 35.914 0.521
363 HD2 TYR 52 HD2 TYR 52 0.944 32.832 2.650
364 HE1 TYR 52 HE1 TYR 52 -2.732 36.085 2.329
365 HE2 TYR 52 HE2 TYR 52 -0.710 32.993 4.463
366 HH TYR 52 HH TYR 52 -2.939 33.764 4.858
367 H GLU 53 H GLU 53 1.300 31.578 0.340
368 HA GLU 53 HA GLU 53 -1.304 30.428 0.782
369 HB2 GLU 53 HB2 GLU 53 -0.986 29.615 -1.451
370 HB3 GLU 53 HB3 GLU 53 0.663 29.121 -1.096
371 HG2 GLU 53 HG2 GLU 53 -0.224 27.453 0.499
372 HG3 GLU 53 HG3 GLU 53 -1.856 27.902 0.006
373 H CYS 54 H CYS 54 -1.227 29.690 2.788
374 HA CYS 54 HA CYS 54 1.171 29.341 4.231
375 HB2 CYS 54 HB2 CYS 54 -1.014 29.929 5.260
376 HB3 CYS 54 HB3 CYS 54 -1.584 28.299 4.920
377 HG CYS 54 HG CYS 54 -1.037 28.345 7.611
378 HA PRO 55 HA PRO 55 2.090 25.262 2.626
379 HB2 PRO 55 HB2 PRO 55 4.488 25.043 3.880
380 HB3 PRO 55 HB3 PRO 55 4.258 25.989 2.404
381 HG2 PRO 55 HG2 PRO 55 4.377 26.916 5.248
382 HG3 PRO 55 HG3 PRO 55 5.122 27.630 3.806
383 HD2 PRO 55 HD2 PRO 55 2.837 28.593 4.894
384 HD3 PRO 55 HD3 PRO 55 3.166 28.658 3.150
385 H ASP 56 H ASP 56 1.564 26.297 5.834
386 HA ASP 56 HA ASP 56 2.034 23.741 7.084
387 HB2 ASP 56 HB2 ASP 56 0.508 26.067 8.254
388 HB3 ASP 56 HB3 ASP 56 1.343 24.777 9.115
389 H CYS 57 H CYS 57 -0.880 25.746 6.609
390 HA CYS 57 HA CYS 57 -2.496 23.299 6.794
391 HB2 CYS 57 HB2 CYS 57 -4.399 24.806 7.237
392 HB3 CYS 57 HB3 CYS 57 -3.101 25.027 8.403
393 HG CYS 57 HG CYS 57 -4.623 27.326 6.850
394 H GLY 58 H GLY 58 -0.985 24.435 4.418
395 HA2 GLY 58 HA2 GLY 58 -1.336 24.868 2.177
396 HA3 GLY 58 HA3 GLY 58 -2.531 23.591 2.352
397 H PHE 59 H PHE 59 -2.543 26.866 3.710
398 HA PHE 59 HA PHE 59 -5.186 27.273 2.534
399 HB2 PHE 59 HB2 PHE 59 -5.092 27.746 4.879
400 HB3 PHE 59 HB3 PHE 59 -3.658 28.749 4.680
401 HD1 PHE 59 HD1 PHE 59 -7.076 28.595 3.178
402 HD2 PHE 59 HD2 PHE 59 -4.036 30.985 4.956
403 HE1 PHE 59 HE1 PHE 59 -8.507 30.583 2.944
404 HE2 PHE 59 HE2 PHE 59 -5.462 32.977 4.726
405 HZ PHE 59 HZ PHE 59 -7.701 32.777 3.719
406 H MET 60 H MET 60 -5.124 28.058 0.523
407 HA MET 60 HA MET 60 -3.021 29.858 -0.322
408 HB2 MET 60 HB2 MET 60 -5.445 28.874 -1.837
409 HB3 MET 60 HB3 MET 60 -4.062 29.713 -2.527
410 HG2 MET 60 HG2 MET 60 -2.767 27.873 -2.521
411 HG3 MET 60 HG3 MET 60 -3.451 27.264 -1.016
412 HE1 MET 60 HE1 MET 60 -3.204 24.816 -3.611
413 HE2 MET 60 HE2 MET 60 -3.860 25.711 -4.981
414 HE3 MET 60 HE3 MET 60 -2.580 26.420 -3.996
415 H GLY 61 H GLY 61 -3.124 31.992 -0.125
416 HA2 GLY 61 HA2 GLY 61 -5.762 33.295 -0.259
417 HA3 GLY 61 HA3 GLY 61 -4.673 33.665 1.069
418 HA PRO 62 HA PRO 62 -3.968 36.610 -2.511
419 HB2 PRO 62 HB2 PRO 62 -4.463 38.883 -1.111
420 HB3 PRO 62 HB3 PRO 62 -5.727 37.978 -1.952
421 HG2 PRO 62 HG2 PRO 62 -4.992 37.955 0.950
422 HG3 PRO 62 HG3 PRO 62 -6.600 37.988 0.204
423 HD2 PRO 62 HD2 PRO 62 -5.496 35.719 1.186
424 HD3 PRO 62 HD3 PRO 62 -6.593 35.721 -0.211
Start of MODEL 17
1 H1 GLY 1 H GLY 1 -5.006 16.648 5.190
2 HA2 GLY 1 HA2 GLY 1 -4.083 15.519 7.677
3 HA3 GLY 1 HA3 GLY 1 -5.615 15.186 6.882
4 H ALA 2 H ALA 2 -2.378 14.823 5.514
5 HA ALA 2 HA ALA 2 -2.516 11.929 5.761
6 HB1 ALA 2 HB1 ALA 2 -3.770 12.299 3.727
7 HB2 ALA 2 HB2 ALA 2 -2.469 13.293 3.072
8 HB3 ALA 2 HB3 ALA 2 -2.211 11.569 3.340
9 H MET 3 H MET 3 -0.522 10.881 5.384
10 HA MET 3 HA MET 3 1.766 12.534 5.925
11 HB2 MET 3 HB2 MET 3 2.982 10.482 6.182
12 HB3 MET 3 HB3 MET 3 1.409 10.278 6.943
13 HG2 MET 3 HG2 MET 3 0.668 9.193 4.773
14 HG3 MET 3 HG3 MET 3 2.375 9.152 4.337
15 HE1 MET 3 HE1 MET 3 0.200 6.775 7.556
16 HE2 MET 3 HE2 MET 3 -0.304 8.284 6.795
17 HE3 MET 3 HE3 MET 3 -0.333 6.779 5.875
18 H GLY 4 H GLY 4 3.603 12.805 4.639
19 HA2 GLY 4 HA2 GLY 4 4.275 11.677 2.252
20 HA3 GLY 4 HA3 GLY 4 3.073 12.880 1.810
21 H SER 5 H SER 5 5.128 13.541 0.582
22 HA SER 5 HA SER 5 7.170 14.871 2.090
23 HB2 SER 5 HB2 SER 5 6.503 14.783 -0.854
24 HB3 SER 5 HB3 SER 5 7.835 15.744 -0.213
25 HG SER 5 HG SER 5 8.447 13.619 0.820
26 H GLU 6 H GLU 6 4.257 15.844 0.372
27 HA GLU 6 HA GLU 6 4.673 18.621 0.410
28 HB2 GLU 6 HB2 GLU 6 2.849 17.153 -0.777
29 HB3 GLU 6 HB3 GLU 6 1.928 17.459 0.689
30 HG2 GLU 6 HG2 GLU 6 3.162 19.775 -0.697
31 HG3 GLU 6 HG3 GLU 6 1.745 19.020 -1.425
32 H SER 7 H SER 7 2.859 16.544 2.663
33 HA SER 7 HA SER 7 2.059 18.523 4.448
34 HB2 SER 7 HB2 SER 7 2.103 16.567 6.147
35 HB3 SER 7 HB3 SER 7 1.042 16.429 4.745
36 HG SER 7 HG SER 7 2.702 14.656 5.429
37 H GLU 8 H GLU 8 5.018 16.569 4.419
38 HA GLU 8 HA GLU 8 6.069 17.972 6.730
39 HB2 GLU 8 HB2 GLU 8 7.910 16.451 6.630
40 HB3 GLU 8 HB3 GLU 8 6.445 15.523 6.344
41 HG2 GLU 8 HG2 GLU 8 6.945 15.805 3.865
42 HG3 GLU 8 HG3 GLU 8 8.545 16.345 4.371
43 H GLN 9 H GLN 9 8.660 18.353 6.308
44 HA GLN 9 HA GLN 9 8.924 19.984 3.883
45 HB2 GLN 9 HB2 GLN 9 9.821 20.948 6.598
46 HB3 GLN 9 HB3 GLN 9 9.806 21.852 5.089
47 HG2 GLN 9 HG2 GLN 9 7.324 21.674 5.085
48 HG3 GLN 9 HG3 GLN 9 7.426 20.942 6.686
49 HE21 GLN 9 HE21 GLN 9 5.965 22.937 6.924
50 HE22 GLN 9 HE22 GLN 9 6.756 24.379 7.451
51 H ARG 10 H ARG 10 11.365 20.932 4.006
52 HA ARG 10 HA ARG 10 13.066 18.563 4.422
53 HB2 ARG 10 HB2 ARG 10 13.672 20.833 2.535
54 HB3 ARG 10 HB3 ARG 10 14.396 19.231 2.577
55 HG2 ARG 10 HG2 ARG 10 12.966 18.626 1.001
56 HG3 ARG 10 HG3 ARG 10 11.672 18.786 2.190
57 HD2 ARG 10 HD2 ARG 10 10.889 20.200 0.579
58 HD3 ARG 10 HD3 ARG 10 11.852 21.333 1.527
59 HE ARG 10 HE ARG 10 13.470 20.211 -0.473
60 HH11 ARG 10 HH11 ARG 10 10.772 22.382 -0.115
61 HH12 ARG 10 HH12 ARG 10 11.149 23.294 -1.539
62 HH21 ARG 10 HH21 ARG 10 13.977 21.404 -2.350
63 HH22 ARG 10 HH22 ARG 10 12.972 22.736 -2.810
64 H HIS 11 H HIS 11 12.473 20.457 6.485
65 HA HIS 11 HA HIS 11 13.474 21.767 8.059
66 HB2 HIS 11 HB2 HIS 11 15.897 20.271 7.043
67 HB3 HIS 11 HB3 HIS 11 15.865 21.227 8.521
68 HD1 HIS 11 HD1 HIS 11 14.572 20.248 10.539
69 HD2 HIS 11 HD2 HIS 11 14.637 17.781 7.197
70 HE1 HIS 11 HE1 HIS 11 13.780 18.002 11.346
71 H ALA 12 H ALA 12 12.981 23.178 5.784
72 HA ALA 12 HA ALA 12 15.024 25.216 5.927
73 HB1 ALA 12 HB1 ALA 12 14.594 24.891 3.141
74 HB2 ALA 12 HB2 ALA 12 16.102 24.755 4.045
75 HB3 ALA 12 HB3 ALA 12 15.087 23.333 3.804
76 H HIS 13 H HIS 13 13.849 26.975 6.287
77 HA HIS 13 HA HIS 13 11.144 27.193 5.268
78 HB2 HIS 13 HB2 HIS 13 12.678 29.243 6.870
79 HB3 HIS 13 HB3 HIS 13 10.932 29.118 6.680
80 HD1 HIS 13 HD1 HIS 13 12.364 29.117 9.459
81 HD2 HIS 13 HD2 HIS 13 11.138 25.727 7.393
82 HE1 HIS 13 HE1 HIS 13 12.090 27.328 11.205
83 H GLN 14 H GLN 14 10.974 27.744 3.184
84 HA GLN 14 HA GLN 14 12.805 29.729 2.062
85 HB2 GLN 14 HB2 GLN 14 11.073 27.591 0.948
86 HB3 GLN 14 HB3 GLN 14 11.306 29.021 -0.048
87 HG2 GLN 14 HG2 GLN 14 13.624 28.684 -0.180
88 HG3 GLN 14 HG3 GLN 14 13.611 27.518 1.142
89 HE21 GLN 14 HE21 GLN 14 14.497 25.826 0.067
90 HE22 GLN 14 HE22 GLN 14 13.739 25.025 -1.263
91 H CYS 15 H CYS 15 11.789 31.304 0.477
92 HA CYS 15 HA CYS 15 9.773 32.795 1.884
93 HB2 CYS 15 HB2 CYS 15 11.755 33.802 0.668
94 HB3 CYS 15 HB3 CYS 15 10.931 33.411 -0.836
95 HG CYS 15 HG CYS 15 9.230 35.244 1.445
96 H VAL 16 H VAL 16 7.669 33.110 1.340
97 HA VAL 16 HA VAL 16 6.369 31.151 -0.234
98 HB VAL 16 HB VAL 16 4.319 32.356 0.200
99 HG11 VAL 16 HG11 VAL 16 5.979 32.642 2.688
100 HG12 VAL 16 HG12 VAL 16 4.278 32.200 2.545
101 HG13 VAL 16 HG13 VAL 16 5.530 31.067 2.034
102 HG21 VAL 16 HG21 VAL 16 4.329 34.538 1.333
103 HG22 VAL 16 HG22 VAL 16 6.086 34.590 1.198
104 HG23 VAL 16 HG23 VAL 16 5.088 34.616 -0.256
105 H SER 17 H SER 17 7.599 34.325 -0.926
106 HA SER 17 HA SER 17 6.112 34.670 -3.361
107 HB2 SER 17 HB2 SER 17 6.692 36.768 -2.744
108 HB3 SER 17 HB3 SER 17 8.078 36.209 -1.807
109 HG SER 17 HG SER 17 9.328 36.585 -3.456
110 H CYS 18 H CYS 18 9.605 34.290 -2.728
111 HA CYS 18 HA CYS 18 9.848 33.033 -5.380
112 HB2 CYS 18 HB2 CYS 18 11.651 34.821 -3.808
113 HB3 CYS 18 HB3 CYS 18 12.382 33.634 -4.882
114 HG CYS 18 HG CYS 18 11.787 36.504 -5.773
115 H GLY 19 H GLY 19 11.950 33.002 -2.512
116 HA2 GLY 19 HA2 GLY 19 11.532 30.616 -1.371
117 HA3 GLY 19 HA3 GLY 19 12.345 30.144 -2.855
118 H ILE 20 H ILE 20 12.969 33.036 -0.929
119 HA ILE 20 HA ILE 20 15.747 32.764 -0.999
120 HB ILE 20 HB ILE 20 14.083 34.240 1.045
121 HG12 ILE 20 HG12 ILE 20 15.204 36.079 -0.687
122 HG13 ILE 20 HG13 ILE 20 14.758 34.753 -1.755
123 HG21 ILE 20 HG21 ILE 20 16.164 34.191 2.024
124 HG22 ILE 20 HG22 ILE 20 17.009 34.155 0.476
125 HG23 ILE 20 HG23 ILE 20 16.279 35.655 1.047
126 HD11 ILE 20 HD11 ILE 20 13.106 36.756 -1.014
127 HD12 ILE 20 HD12 ILE 20 12.569 35.161 -1.543
128 HD13 ILE 20 HD13 ILE 20 12.696 35.523 0.178
129 H ASN 21 H ASN 21 17.261 32.016 0.465
130 HA ASN 21 HA ASN 21 16.427 29.808 2.095
131 HB2 ASN 21 HB2 ASN 21 19.171 31.065 1.875
132 HB3 ASN 21 HB3 ASN 21 18.796 29.468 2.514
133 HD21 ASN 21 HD21 ASN 21 19.438 31.328 -0.262
134 HD22 ASN 21 HD22 ASN 21 19.280 30.066 -1.430
135 H ILE 22 H ILE 22 15.025 31.474 3.340
136 HA ILE 22 HA ILE 22 16.532 32.813 5.456
137 HB ILE 22 HB ILE 22 14.308 33.722 6.137
138 HG12 ILE 22 HG12 ILE 22 13.325 32.548 3.532
139 HG13 ILE 22 HG13 ILE 22 13.017 31.809 5.100
140 HG21 ILE 22 HG21 ILE 22 14.325 34.571 3.375
141 HG22 ILE 22 HG22 ILE 22 14.760 35.465 4.831
142 HG23 ILE 22 HG23 ILE 22 15.960 34.453 4.027
143 HD11 ILE 22 HD11 ILE 22 11.426 33.647 3.834
144 HD12 ILE 22 HD12 ILE 22 11.359 33.218 5.544
145 HD13 ILE 22 HD13 ILE 22 12.294 34.619 5.022
146 H ALA 23 H ALA 23 16.525 29.965 5.440
147 HA ALA 23 HA ALA 23 14.613 28.842 7.171
148 HB1 ALA 23 HB1 ALA 23 16.165 27.568 5.691
149 HB2 ALA 23 HB2 ALA 23 17.463 27.929 6.829
150 HB3 ALA 23 HB3 ALA 23 16.081 26.963 7.346
151 H GLY 24 H GLY 24 14.233 29.403 9.209
152 HA2 GLY 24 HA2 GLY 24 14.596 29.876 11.430
153 HA3 GLY 24 HA3 GLY 24 16.255 29.344 11.199
154 H MET 25 H MET 25 15.175 31.831 9.106
155 HA MET 25 HA MET 25 17.056 33.681 10.263
156 HB2 MET 25 HB2 MET 25 15.397 33.564 7.801
157 HB3 MET 25 HB3 MET 25 15.874 35.158 8.370
158 HG2 MET 25 HG2 MET 25 17.797 32.906 7.848
159 HG3 MET 25 HG3 MET 25 17.397 34.165 6.681
160 HE1 MET 25 HE1 MET 25 19.271 35.161 6.140
161 HE2 MET 25 HE2 MET 25 20.303 36.206 7.118
162 HE3 MET 25 HE3 MET 25 20.602 34.468 7.067
163 H SER 26 H SER 26 16.225 36.093 10.297
164 HA SER 26 HA SER 26 13.959 36.112 12.158
165 HB2 SER 26 HB2 SER 26 16.195 37.059 12.858
166 HB3 SER 26 HB3 SER 26 15.951 38.333 11.664
167 HG SER 26 HG SER 26 14.188 37.747 13.811
168 H ALA 27 H ALA 27 13.463 35.912 9.359
169 HA ALA 27 HA ALA 27 12.697 38.525 8.401
170 HB1 ALA 27 HB1 ALA 27 11.976 35.845 7.229
171 HB2 ALA 27 HB2 ALA 27 11.961 37.413 6.421
172 HB3 ALA 27 HB3 ALA 27 13.493 36.687 6.908
173 H ALA 28 H ALA 28 10.295 38.225 7.232
174 HA ALA 28 HA ALA 28 8.490 38.524 9.412
175 HB1 ALA 28 HB1 ALA 28 8.522 39.164 6.656
176 HB2 ALA 28 HB2 ALA 28 7.070 38.212 6.964
177 HB3 ALA 28 HB3 ALA 28 7.372 39.683 7.888
178 H THR 29 H THR 29 7.367 37.018 10.444
179 HA THR 29 HA THR 29 6.777 34.489 9.054
180 HB THR 29 HB THR 29 6.951 34.038 11.877
181 HG1 THR 29 HG1 THR 29 8.489 35.555 12.160
182 HG21 THR 29 HG21 THR 29 8.682 32.393 11.134
183 HG22 THR 29 HG22 THR 29 7.152 32.270 10.265
184 HG23 THR 29 HG23 THR 29 8.537 33.054 9.505
185 H PHE 30 H PHE 30 4.733 33.758 9.220
186 HA PHE 30 HA PHE 30 2.982 34.794 11.308
187 HB2 PHE 30 HB2 PHE 30 1.387 35.743 9.895
188 HB3 PHE 30 HB3 PHE 30 2.903 36.247 9.155
189 HD1 PHE 30 HD1 PHE 30 3.795 34.828 7.221
190 HD2 PHE 30 HD2 PHE 30 -0.207 34.602 8.655
191 HE1 PHE 30 HE1 PHE 30 3.092 33.817 5.091
192 HE2 PHE 30 HE2 PHE 30 -0.915 33.590 6.527
193 HZ PHE 30 HZ PHE 30 0.735 33.196 4.742
194 H LYS 31 H LYS 31 1.104 33.537 11.654
195 HA LYS 31 HA LYS 31 1.413 30.775 10.787
196 HB2 LYS 31 HB2 LYS 31 1.076 31.043 13.134
197 HB3 LYS 31 HB3 LYS 31 -0.308 32.099 12.882
198 HG2 LYS 31 HG2 LYS 31 -1.558 30.206 11.937
199 HG3 LYS 31 HG3 LYS 31 -0.176 29.155 12.259
200 HD2 LYS 31 HD2 LYS 31 -1.275 30.767 14.506
201 HD3 LYS 31 HD3 LYS 31 -2.192 29.361 13.961
202 HE2 LYS 31 HE2 LYS 31 -0.827 28.470 15.608
203 HE3 LYS 31 HE3 LYS 31 0.071 28.119 14.133
204 HZ1 LYS 31 HZ1 LYS 31 1.056 29.386 16.320
205 HZ2 LYS 31 HZ2 LYS 31 1.747 29.415 14.775
206 HZ3 LYS 31 HZ3 LYS 31 0.727 30.671 15.269
207 H CYS 32 H CYS 32 0.223 29.862 9.247
208 HA CYS 32 HA CYS 32 -1.646 31.340 7.729
209 HB2 CYS 32 HB2 CYS 32 -0.227 29.405 6.921
210 HB3 CYS 32 HB3 CYS 32 -1.352 28.335 7.748
211 HG CYS 32 HG CYS 32 -2.401 30.526 5.350
212 HA PRO 33 HA PRO 33 -5.206 30.764 10.319
213 HB2 PRO 33 HB2 PRO 33 -6.998 31.895 8.622
214 HB3 PRO 33 HB3 PRO 33 -5.868 32.842 9.597
215 HG2 PRO 33 HG2 PRO 33 -5.678 32.046 6.718
216 HG3 PRO 33 HG3 PRO 33 -5.310 33.607 7.473
217 HD2 PRO 33 HD2 PRO 33 -3.386 31.823 6.803
218 HD3 PRO 33 HD3 PRO 33 -3.237 32.909 8.200
219 H ASP 34 H ASP 34 -4.520 29.253 7.384
220 HA ASP 34 HA ASP 34 -7.061 27.845 7.200
221 HB2 ASP 34 HB2 ASP 34 -5.638 28.654 5.201
222 HB3 ASP 34 HB3 ASP 34 -4.621 27.257 5.541
223 H CYS 35 H CYS 35 -3.623 26.961 7.549
224 HA CYS 35 HA CYS 35 -4.493 24.461 8.838
225 HB2 CYS 35 HB2 CYS 35 -2.147 23.670 8.254
226 HB3 CYS 35 HB3 CYS 35 -3.246 23.906 6.900
227 HG CYS 35 HG CYS 35 -0.576 24.737 6.300
228 H GLY 36 H GLY 36 -2.106 27.080 8.997
229 HA2 GLY 36 HA2 GLY 36 -1.576 28.134 11.085
230 HA3 GLY 36 HA3 GLY 36 -1.936 26.618 11.898
231 H GLN 37 H GLN 37 -0.060 26.534 8.998
232 HA GLN 37 HA GLN 37 2.194 25.480 10.472
233 HB2 GLN 37 HB2 GLN 37 1.842 25.916 7.501
234 HB3 GLN 37 HB3 GLN 37 3.148 25.015 8.259
235 HG2 GLN 37 HG2 GLN 37 0.321 24.213 8.760
236 HG3 GLN 37 HG3 GLN 37 1.105 23.769 7.245
237 HE21 GLN 37 HE21 GLN 37 2.490 22.102 7.215
238 HE22 GLN 37 HE22 GLN 37 2.959 21.188 8.604
239 H GLU 38 H GLU 38 4.028 26.517 10.958
240 HA GLU 38 HA GLU 38 4.243 29.288 10.854
241 HB2 GLU 38 HB2 GLU 38 5.519 27.836 12.399
242 HB3 GLU 38 HB3 GLU 38 6.499 27.286 11.048
243 HG2 GLU 38 HG2 GLU 38 7.327 29.550 10.710
244 HG3 GLU 38 HG3 GLU 38 6.328 30.120 12.046
245 H ILE 39 H ILE 39 4.388 30.526 9.111
246 HA ILE 39 HA ILE 39 5.873 29.533 6.777
247 HB ILE 39 HB ILE 39 4.132 31.964 6.683
248 HG12 ILE 39 HG12 ILE 39 3.182 29.094 6.552
249 HG13 ILE 39 HG13 ILE 39 2.721 30.299 7.750
250 HG21 ILE 39 HG21 ILE 39 4.539 29.828 4.609
251 HG22 ILE 39 HG22 ILE 39 3.965 31.481 4.387
252 HG23 ILE 39 HG23 ILE 39 5.653 31.182 4.803
253 HD11 ILE 39 HD11 ILE 39 2.139 31.358 5.193
254 HD12 ILE 39 HD12 ILE 39 1.506 29.714 5.261
255 HD13 ILE 39 HD13 ILE 39 1.021 30.896 6.477
256 H SER 40 H SER 40 7.716 30.472 6.167
257 HA SER 40 HA SER 40 8.498 32.972 7.514
258 HB2 SER 40 HB2 SER 40 9.817 30.691 7.769
259 HB3 SER 40 HB3 SER 40 10.519 31.183 6.227
260 HG SER 40 HG SER 40 11.775 32.000 7.892
261 H ARG 41 H ARG 41 8.671 34.725 6.296
262 HA ARG 41 HA ARG 41 9.266 34.409 3.432
263 HB2 ARG 41 HB2 ARG 41 7.453 36.591 4.400
264 HB3 ARG 41 HB3 ARG 41 7.598 35.903 2.788
265 HG2 ARG 41 HG2 ARG 41 5.686 34.869 3.330
266 HG3 ARG 41 HG3 ARG 41 6.756 33.742 4.168
267 HD2 ARG 41 HD2 ARG 41 4.899 34.451 5.595
268 HD3 ARG 41 HD3 ARG 41 6.453 34.973 6.244
269 HE ARG 41 HE ARG 41 5.737 37.126 6.052
270 HH11 ARG 41 HH11 ARG 41 3.856 35.140 3.898
271 HH12 ARG 41 HH12 ARG 41 2.804 36.430 3.417
272 HH21 ARG 41 HH21 ARG 41 4.358 38.832 5.427
273 HH22 ARG 41 HH22 ARG 41 3.091 38.530 4.287
274 H CYS 42 H CYS 42 10.977 35.538 2.793
275 HA CYS 42 HA CYS 42 12.567 37.054 4.488
276 HB2 CYS 42 HB2 CYS 42 13.012 36.013 2.104
277 HB3 CYS 42 HB3 CYS 42 12.586 37.629 1.553
278 HG CYS 42 HG CYS 42 14.915 38.626 1.906
279 H SER 43 H SER 43 13.180 39.377 4.171
280 HA SER 43 HA SER 43 11.120 41.077 4.827
281 HB2 SER 43 HB2 SER 43 13.801 41.653 3.565
282 HB3 SER 43 HB3 SER 43 12.702 42.933 4.078
283 HG SER 43 HG SER 43 13.829 42.632 5.870
284 H LYS 44 H LYS 44 12.290 40.183 1.650
285 HA LYS 44 HA LYS 44 11.159 42.142 0.065
286 HB2 LYS 44 HB2 LYS 44 11.346 39.186 -0.544
287 HB3 LYS 44 HB3 LYS 44 11.115 40.463 -1.732
288 HG2 LYS 44 HG2 LYS 44 13.520 40.246 0.064
289 HG3 LYS 44 HG3 LYS 44 13.442 39.608 -1.580
290 HD2 LYS 44 HD2 LYS 44 13.199 41.776 -2.506
291 HD3 LYS 44 HD3 LYS 44 12.889 42.493 -0.923
292 HE2 LYS 44 HE2 LYS 44 15.136 43.023 -1.603
293 HE3 LYS 44 HE3 LYS 44 15.196 41.894 -0.251
294 HZ1 LYS 44 HZ1 LYS 44 16.291 41.609 -2.829
295 HZ2 LYS 44 HZ2 LYS 44 16.439 40.576 -1.498
296 HZ3 LYS 44 HZ3 LYS 44 15.154 40.380 -2.581
297 H CYS 45 H CYS 45 9.621 39.518 1.756
298 HA CYS 45 HA CYS 45 7.227 39.260 0.415
299 HB2 CYS 45 HB2 CYS 45 6.334 38.324 2.388
300 HB3 CYS 45 HB3 CYS 45 8.058 37.983 2.468
301 HG CYS 45 HG CYS 45 6.152 39.821 4.503
302 H ARG 46 H ARG 46 8.364 41.897 2.357
303 HA ARG 46 HA ARG 46 6.054 43.155 3.153
304 HB2 ARG 46 HB2 ARG 46 8.672 44.281 2.178
305 HB3 ARG 46 HB3 ARG 46 7.377 45.315 2.767
306 HG2 ARG 46 HG2 ARG 46 7.447 44.198 4.928
307 HG3 ARG 46 HG3 ARG 46 8.718 43.124 4.339
308 HD2 ARG 46 HD2 ARG 46 10.188 45.042 3.998
309 HD3 ARG 46 HD3 ARG 46 8.914 46.127 4.554
310 HE ARG 46 HE ARG 46 10.632 44.484 6.180
311 HH11 ARG 46 HH11 ARG 46 7.607 46.198 6.008
312 HH12 ARG 46 HH12 ARG 46 7.459 46.373 7.725
313 HH21 ARG 46 HH21 ARG 46 10.449 44.708 8.443
314 HH22 ARG 46 HH22 ARG 46 9.076 45.526 9.109
315 H LYS 47 H LYS 47 7.513 43.086 -0.046
316 HA LYS 47 HA LYS 47 5.609 44.962 -1.142
317 HB2 LYS 47 HB2 LYS 47 7.954 44.788 -1.970
318 HB3 LYS 47 HB3 LYS 47 7.582 43.183 -2.585
319 HG2 LYS 47 HG2 LYS 47 7.263 44.379 -4.482
320 HG3 LYS 47 HG3 LYS 47 5.638 44.504 -3.804
321 HD2 LYS 47 HD2 LYS 47 7.550 46.569 -2.926
322 HD3 LYS 47 HD3 LYS 47 7.100 46.622 -4.632
323 HE2 LYS 47 HE2 LYS 47 5.162 46.571 -2.320
324 HE3 LYS 47 HE3 LYS 47 5.639 48.015 -3.212
325 HZ1 LYS 47 HZ1 LYS 47 3.585 46.266 -3.822
326 HZ2 LYS 47 HZ2 LYS 47 4.144 47.557 -4.762
327 HZ3 LYS 47 HZ3 LYS 47 4.771 46.004 -5.001
328 H GLN 48 H GLN 48 6.045 41.489 -0.993
329 HA GLN 48 HA GLN 48 3.936 40.939 -2.879
330 HB2 GLN 48 HB2 GLN 48 5.350 39.075 -0.965
331 HB3 GLN 48 HB3 GLN 48 4.315 38.592 -2.302
332 HG2 GLN 48 HG2 GLN 48 6.579 40.337 -3.003
333 HG3 GLN 48 HG3 GLN 48 6.996 38.720 -2.438
334 HE21 GLN 48 HE21 GLN 48 6.835 40.284 -5.127
335 HE22 GLN 48 HE22 GLN 48 6.138 39.119 -6.195
336 H SER 49 H SER 49 3.882 42.108 0.160
337 HA SER 49 HA SER 49 2.082 40.564 1.599
338 HB2 SER 49 HB2 SER 49 3.361 42.808 2.181
339 HB3 SER 49 HB3 SER 49 1.831 43.542 1.701
340 HG SER 49 HG SER 49 2.358 42.606 4.027
341 H ASN 50 H ASN 50 1.519 42.820 -1.023
342 HA ASN 50 HA ASN 50 -1.200 43.253 -0.808
343 HB2 ASN 50 HB2 ASN 50 0.212 42.771 -3.433
344 HB3 ASN 50 HB3 ASN 50 -1.191 43.794 -3.136
345 HD21 ASN 50 HD21 ASN 50 -0.441 45.193 -0.934
346 HD22 ASN 50 HD22 ASN 50 0.923 46.188 -1.300
347 H LEU 51 H LEU 51 0.510 40.423 -1.968
348 HA LEU 51 HA LEU 51 -1.921 38.864 -1.777
349 HB2 LEU 51 HB2 LEU 51 -0.611 39.533 -4.352
350 HB3 LEU 51 HB3 LEU 51 -1.177 37.877 -4.136
351 HG LEU 51 HG LEU 51 -2.947 40.293 -3.808
352 HD11 LEU 51 HD11 LEU 51 -1.875 39.867 -6.138
353 HD12 LEU 51 HD12 LEU 51 -3.004 38.513 -6.205
354 HD13 LEU 51 HD13 LEU 51 -3.610 40.158 -6.012
355 HD21 LEU 51 HD21 LEU 51 -4.092 37.719 -4.573
356 HD22 LEU 51 HD22 LEU 51 -3.311 37.704 -2.991
357 HD23 LEU 51 HD23 LEU 51 -4.597 38.863 -3.328
358 H TYR 52 H TYR 52 -1.400 37.069 -0.734
359 HA TYR 52 HA TYR 52 1.255 35.884 -1.201
360 HB2 TYR 52 HB2 TYR 52 1.564 35.450 1.091
361 HB3 TYR 52 HB3 TYR 52 0.947 37.097 1.039
362 HD1 TYR 52 HD1 TYR 52 -1.687 37.286 1.241
363 HD2 TYR 52 HD2 TYR 52 0.611 33.966 2.584
364 HE1 TYR 52 HE1 TYR 52 -3.501 36.658 2.778
365 HE2 TYR 52 HE2 TYR 52 -1.198 33.329 4.123
366 HH TYR 52 HH TYR 52 -3.150 34.626 5.307
367 H GLU 53 H GLU 53 1.291 33.552 -0.296
368 HA GLU 53 HA GLU 53 -1.218 32.140 -0.379
369 HB2 GLU 53 HB2 GLU 53 -0.840 32.397 -2.762
370 HB3 GLU 53 HB3 GLU 53 0.800 31.785 -2.600
371 HG2 GLU 53 HG2 GLU 53 -0.202 29.630 -1.778
372 HG3 GLU 53 HG3 GLU 53 -1.771 30.270 -2.264
373 H CYS 54 H CYS 54 -1.103 30.355 0.839
374 HA CYS 54 HA CYS 54 1.368 29.702 2.137
375 HB2 CYS 54 HB2 CYS 54 -0.820 29.627 3.303
376 HB3 CYS 54 HB3 CYS 54 -1.301 28.284 2.273
377 HG CYS 54 HG CYS 54 0.185 28.153 5.131
378 HA PRO 55 HA PRO 55 2.536 26.798 -1.065
379 HB2 PRO 55 HB2 PRO 55 4.962 26.217 0.007
380 HB3 PRO 55 HB3 PRO 55 4.647 27.693 -0.913
381 HG2 PRO 55 HG2 PRO 55 4.744 27.294 2.052
382 HG3 PRO 55 HG3 PRO 55 5.418 28.614 1.078
383 HD2 PRO 55 HD2 PRO 55 3.089 28.850 2.439
384 HD3 PRO 55 HD3 PRO 55 3.388 29.690 0.904
385 H ASP 56 H ASP 56 1.983 26.294 2.262
386 HA ASP 56 HA ASP 56 2.652 23.490 2.292
387 HB2 ASP 56 HB2 ASP 56 2.638 25.158 4.285
388 HB3 ASP 56 HB3 ASP 56 0.907 24.837 4.333
389 H CYS 57 H CYS 57 -0.407 25.300 2.619
390 HA CYS 57 HA CYS 57 -1.821 22.907 1.656
391 HB2 CYS 57 HB2 CYS 57 -3.842 23.940 2.693
392 HB3 CYS 57 HB3 CYS 57 -2.571 23.570 3.851
393 HG CYS 57 HG CYS 57 -3.347 25.897 4.855
394 H GLY 58 H GLY 58 -0.456 25.059 0.066
395 HA2 GLY 58 HA2 GLY 58 -0.880 26.455 -1.726
396 HA3 GLY 58 HA3 GLY 58 -2.016 25.184 -2.151
397 H PHE 59 H PHE 59 -2.168 27.421 0.587
398 HA PHE 59 HA PHE 59 -4.861 28.166 -0.213
399 HB2 PHE 59 HB2 PHE 59 -4.544 27.631 2.119
400 HB3 PHE 59 HB3 PHE 59 -3.231 28.797 2.254
401 HD1 PHE 59 HD1 PHE 59 -6.760 28.838 1.027
402 HD2 PHE 59 HD2 PHE 59 -3.769 30.678 3.432
403 HE1 PHE 59 HE1 PHE 59 -8.372 30.569 1.701
404 HE2 PHE 59 HE2 PHE 59 -5.377 32.412 4.111
405 HZ PHE 59 HZ PHE 59 -7.682 32.359 3.244
406 H MET 60 H MET 60 -4.902 29.653 -1.794
407 HA MET 60 HA MET 60 -2.984 31.823 -1.854
408 HB2 MET 60 HB2 MET 60 -5.346 31.276 -3.661
409 HB3 MET 60 HB3 MET 60 -4.073 32.454 -3.952
410 HG2 MET 60 HG2 MET 60 -2.589 30.895 -4.627
411 HG3 MET 60 HG3 MET 60 -3.204 29.670 -3.520
412 HE1 MET 60 HE1 MET 60 -5.653 31.284 -6.785
413 HE2 MET 60 HE2 MET 60 -4.087 31.921 -6.282
414 HE3 MET 60 HE3 MET 60 -4.192 30.823 -7.658
415 H GLY 61 H GLY 61 -3.274 33.662 -0.788
416 HA2 GLY 61 HA2 GLY 61 -6.027 34.659 -0.436
417 HA3 GLY 61 HA3 GLY 61 -4.920 34.602 0.929
418 HA PRO 62 HA PRO 62 -4.645 38.723 -1.334
419 HB2 PRO 62 HB2 PRO 62 -5.475 40.268 0.738
420 HB3 PRO 62 HB3 PRO 62 -6.587 39.573 -0.448
421 HG2 PRO 62 HG2 PRO 62 -5.908 38.610 2.304
422 HG3 PRO 62 HG3 PRO 62 -7.492 38.708 1.511
423 HD2 PRO 62 HD2 PRO 62 -6.101 36.393 1.708
424 HD3 PRO 62 HD3 PRO 62 -7.161 36.756 0.331
Start of MODEL 18
1 H1 GLY 1 H GLY 1 -1.295 13.295 -5.126
2 HA2 GLY 1 HA2 GLY 1 -2.025 12.211 -2.559
3 HA3 GLY 1 HA3 GLY 1 -0.774 11.282 -3.371
4 H ALA 2 H ALA 2 -0.683 12.868 -0.884
5 HA ALA 2 HA ALA 2 1.227 14.969 -1.627
6 HB1 ALA 2 HB1 ALA 2 0.870 15.130 1.106
7 HB2 ALA 2 HB2 ALA 2 0.062 16.116 -0.112
8 HB3 ALA 2 HB3 ALA 2 -0.720 14.661 0.504
9 H MET 3 H MET 3 3.018 13.653 -2.071
10 HA MET 3 HA MET 3 4.010 11.888 0.015
11 HB2 MET 3 HB2 MET 3 4.698 12.408 -2.839
12 HB3 MET 3 HB3 MET 3 5.949 11.746 -1.795
13 HG2 MET 3 HG2 MET 3 5.036 9.829 -2.617
14 HG3 MET 3 HG3 MET 3 4.080 10.034 -1.151
15 HE1 MET 3 HE1 MET 3 4.462 10.834 -4.762
16 HE2 MET 3 HE2 MET 3 3.523 9.381 -5.106
17 HE3 MET 3 HE3 MET 3 2.836 10.972 -5.432
18 H GLY 4 H GLY 4 5.541 12.404 1.451
19 HA2 GLY 4 HA2 GLY 4 7.534 14.411 0.899
20 HA3 GLY 4 HA3 GLY 4 6.339 14.925 2.081
21 H SER 5 H SER 5 5.894 12.634 3.507
22 HA SER 5 HA SER 5 8.059 12.609 5.291
23 HB2 SER 5 HB2 SER 5 6.875 10.820 6.445
24 HB3 SER 5 HB3 SER 5 5.722 12.045 5.918
25 HG SER 5 HG SER 5 5.813 9.435 5.297
26 H GLU 6 H GLU 6 7.169 10.446 2.659
27 HA GLU 6 HA GLU 6 9.042 8.410 3.225
28 HB2 GLU 6 HB2 GLU 6 7.683 9.229 0.657
29 HB3 GLU 6 HB3 GLU 6 8.717 7.814 0.791
30 HG2 GLU 6 HG2 GLU 6 6.581 6.955 1.032
31 HG3 GLU 6 HG3 GLU 6 7.158 7.094 2.691
32 H SER 7 H SER 7 9.162 11.123 0.920
33 HA SER 7 HA SER 7 11.716 10.653 -0.082
34 HB2 SER 7 HB2 SER 7 11.674 13.246 -0.421
35 HB3 SER 7 HB3 SER 7 10.508 12.242 -1.283
36 HG SER 7 HG SER 7 9.795 14.222 0.003
37 H GLU 8 H GLU 8 10.738 12.790 2.594
38 HA GLU 8 HA GLU 8 13.173 12.248 4.014
39 HB2 GLU 8 HB2 GLU 8 14.098 14.454 4.021
40 HB3 GLU 8 HB3 GLU 8 13.863 13.983 2.343
41 HG2 GLU 8 HG2 GLU 8 11.784 15.291 2.287
42 HG3 GLU 8 HG3 GLU 8 12.081 15.801 3.948
43 H GLN 9 H GLN 9 13.116 12.950 6.173
44 HA GLN 9 HA GLN 9 10.431 13.695 7.087
45 HB2 GLN 9 HB2 GLN 9 12.712 12.209 8.331
46 HB3 GLN 9 HB3 GLN 9 11.524 12.992 9.364
47 HG2 GLN 9 HG2 GLN 9 9.745 11.712 8.242
48 HG3 GLN 9 HG3 GLN 9 10.975 10.886 7.287
49 HE21 GLN 9 HE21 GLN 9 9.188 9.520 8.889
50 HE22 GLN 9 HE22 GLN 9 10.044 8.791 10.200
51 H ARG 10 H ARG 10 12.398 15.607 6.020
52 HA ARG 10 HA ARG 10 12.800 17.258 8.427
53 HB2 ARG 10 HB2 ARG 10 14.351 17.205 5.834
54 HB3 ARG 10 HB3 ARG 10 14.562 18.431 7.077
55 HG2 ARG 10 HG2 ARG 10 16.260 16.978 7.580
56 HG3 ARG 10 HG3 ARG 10 14.975 16.380 8.632
57 HD2 ARG 10 HD2 ARG 10 14.526 14.555 7.234
58 HD3 ARG 10 HD3 ARG 10 15.382 15.277 5.872
59 HE ARG 10 HE ARG 10 17.351 14.442 6.703
60 HH11 ARG 10 HH11 ARG 10 14.874 14.212 9.138
61 HH12 ARG 10 HH12 ARG 10 15.835 13.249 10.211
62 HH21 ARG 10 HH21 ARG 10 18.627 13.175 8.107
63 HH22 ARG 10 HH22 ARG 10 17.970 12.661 9.624
64 H HIS 11 H HIS 11 12.360 19.498 8.280
65 HA HIS 11 HA HIS 11 10.640 20.260 6.012
66 HB2 HIS 11 HB2 HIS 11 9.418 21.710 7.726
67 HB3 HIS 11 HB3 HIS 11 9.139 19.973 7.814
68 HD1 HIS 11 HD1 HIS 11 8.753 19.592 10.242
69 HD2 HIS 11 HD2 HIS 11 12.104 21.943 9.537
70 HE1 HIS 11 HE1 HIS 11 9.841 19.902 12.488
71 H ALA 12 H ALA 12 10.249 22.828 6.295
72 HA ALA 12 HA ALA 12 12.339 24.427 7.253
73 HB1 ALA 12 HB1 ALA 12 12.952 24.882 4.592
74 HB2 ALA 12 HB2 ALA 12 13.959 24.043 5.773
75 HB3 ALA 12 HB3 ALA 12 12.882 23.124 4.720
76 H HIS 13 H HIS 13 11.745 26.529 7.202
77 HA HIS 13 HA HIS 13 9.172 27.165 6.060
78 HB2 HIS 13 HB2 HIS 13 11.053 29.052 7.479
79 HB3 HIS 13 HB3 HIS 13 9.311 29.216 7.282
80 HD1 HIS 13 HD1 HIS 13 10.880 29.164 10.047
81 HD2 HIS 13 HD2 HIS 13 8.779 26.008 8.347
82 HE1 HIS 13 HE1 HIS 13 10.269 27.654 11.963
83 H GLN 14 H GLN 14 9.183 27.440 3.903
84 HA GLN 14 HA GLN 14 11.326 28.989 2.660
85 HB2 GLN 14 HB2 GLN 14 9.293 27.047 1.697
86 HB3 GLN 14 HB3 GLN 14 9.809 28.293 0.569
87 HG2 GLN 14 HG2 GLN 14 12.041 27.560 0.615
88 HG3 GLN 14 HG3 GLN 14 11.764 26.557 2.039
89 HE21 GLN 14 HE21 GLN 14 9.995 26.896 -1.013
90 HE22 GLN 14 HE22 GLN 14 10.089 25.229 -1.453
91 H CYS 15 H CYS 15 10.617 30.516 0.874
92 HA CYS 15 HA CYS 15 8.877 32.480 2.023
93 HB2 CYS 15 HB2 CYS 15 10.971 32.962 0.679
94 HB3 CYS 15 HB3 CYS 15 10.059 32.507 -0.755
95 HG CYS 15 HG CYS 15 8.808 34.927 1.270
96 H VAL 16 H VAL 16 6.852 33.089 1.410
97 HA VAL 16 HA VAL 16 5.213 31.162 0.124
98 HB VAL 16 HB VAL 16 3.392 32.720 0.410
99 HG11 VAL 16 HG11 VAL 16 5.333 32.608 2.704
100 HG12 VAL 16 HG12 VAL 16 3.707 33.273 2.865
101 HG13 VAL 16 HG13 VAL 16 3.928 31.584 2.408
102 HG21 VAL 16 HG21 VAL 16 4.464 34.754 -0.348
103 HG22 VAL 16 HG22 VAL 16 3.784 35.004 1.260
104 HG23 VAL 16 HG23 VAL 16 5.520 34.757 1.065
105 H SER 17 H SER 17 6.907 33.995 -0.967
106 HA SER 17 HA SER 17 5.444 34.255 -3.427
107 HB2 SER 17 HB2 SER 17 6.920 36.010 -2.056
108 HB3 SER 17 HB3 SER 17 8.172 35.420 -3.149
109 HG SER 17 HG SER 17 7.311 36.880 -4.417
110 H CYS 18 H CYS 18 8.850 33.425 -2.750
111 HA CYS 18 HA CYS 18 8.862 31.850 -5.236
112 HB2 CYS 18 HB2 CYS 18 10.481 33.661 -5.260
113 HB3 CYS 18 HB3 CYS 18 11.149 33.125 -3.723
114 HG CYS 18 HG CYS 18 12.569 32.540 -6.341
115 H GLY 19 H GLY 19 10.930 31.761 -2.345
116 HA2 GLY 19 HA2 GLY 19 10.124 29.633 -0.951
117 HA3 GLY 19 HA3 GLY 19 10.798 28.854 -2.375
118 H ILE 20 H ILE 20 11.992 31.775 -0.790
119 HA ILE 20 HA ILE 20 14.670 30.974 -0.837
120 HB ILE 20 HB ILE 20 13.350 32.980 0.996
121 HG12 ILE 20 HG12 ILE 20 14.788 34.357 -0.907
122 HG13 ILE 20 HG13 ILE 20 14.131 33.009 -1.830
123 HG21 ILE 20 HG21 ILE 20 16.234 32.392 0.396
124 HG22 ILE 20 HG22 ILE 20 15.701 33.951 1.026
125 HG23 ILE 20 HG23 ILE 20 15.433 32.483 1.965
126 HD11 ILE 20 HD11 ILE 20 12.832 35.299 -1.497
127 HD12 ILE 20 HD12 ILE 20 12.005 33.750 -1.654
128 HD13 ILE 20 HD13 ILE 20 12.262 34.455 -0.058
129 H ASN 21 H ASN 21 16.039 30.091 0.678
130 HA ASN 21 HA ASN 21 14.831 28.326 2.591
131 HB2 ASN 21 HB2 ASN 21 17.673 28.906 1.781
132 HB3 ASN 21 HB3 ASN 21 17.305 27.849 3.140
133 HD21 ASN 21 HD21 ASN 21 17.585 28.114 -0.222
134 HD22 ASN 21 HD22 ASN 21 17.039 26.528 -0.635
135 H ILE 22 H ILE 22 13.858 30.370 3.649
136 HA ILE 22 HA ILE 22 15.713 31.575 5.571
137 HB ILE 22 HB ILE 22 13.793 33.081 6.120
138 HG12 ILE 22 HG12 ILE 22 12.513 31.858 3.669
139 HG13 ILE 22 HG13 ILE 22 12.036 31.470 5.318
140 HG21 ILE 22 HG21 ILE 22 13.934 33.646 3.316
141 HG22 ILE 22 HG22 ILE 22 14.727 34.467 4.660
142 HG23 ILE 22 HG23 ILE 22 15.503 33.083 3.891
143 HD11 ILE 22 HD11 ILE 22 10.933 33.415 3.767
144 HD12 ILE 22 HD12 ILE 22 10.842 33.339 5.526
145 HD13 ILE 22 HD13 ILE 22 12.077 34.330 4.750
146 H ALA 23 H ALA 23 15.080 28.863 5.957
147 HA ALA 23 HA ALA 23 12.959 28.449 7.773
148 HB1 ALA 23 HB1 ALA 23 14.121 26.659 6.495
149 HB2 ALA 23 HB2 ALA 23 15.506 26.850 7.571
150 HB3 ALA 23 HB3 ALA 23 13.954 26.314 8.217
151 H GLY 24 H GLY 24 12.760 29.338 9.719
152 HA2 GLY 24 HA2 GLY 24 13.264 29.986 11.866
153 HA3 GLY 24 HA3 GLY 24 14.746 29.053 11.725
154 H MET 25 H MET 25 14.247 31.440 9.320
155 HA MET 25 HA MET 25 16.526 32.929 10.272
156 HB2 MET 25 HB2 MET 25 14.858 32.907 7.804
157 HB3 MET 25 HB3 MET 25 15.758 34.373 8.171
158 HG2 MET 25 HG2 MET 25 17.005 31.643 8.007
159 HG3 MET 25 HG3 MET 25 16.918 32.771 6.656
160 HE1 MET 25 HE1 MET 25 19.008 31.167 8.289
161 HE2 MET 25 HE2 MET 25 20.389 32.156 7.815
162 HE3 MET 25 HE3 MET 25 19.930 32.039 9.514
163 H SER 26 H SER 26 16.234 35.470 9.872
164 HA SER 26 HA SER 26 14.149 36.267 11.763
165 HB2 SER 26 HB2 SER 26 16.650 36.881 12.004
166 HB3 SER 26 HB3 SER 26 16.335 38.065 10.736
167 HG SER 26 HG SER 26 15.894 38.346 13.297
168 H ALA 27 H ALA 27 13.158 35.648 9.277
169 HA ALA 27 HA ALA 27 12.788 38.173 7.853
170 HB1 ALA 27 HB1 ALA 27 11.271 36.017 6.735
171 HB2 ALA 27 HB2 ALA 27 12.626 36.906 6.039
172 HB3 ALA 27 HB3 ALA 27 12.924 35.486 7.043
173 H ALA 28 H ALA 28 10.316 38.035 6.842
174 HA ALA 28 HA ALA 28 8.676 38.944 8.930
175 HB1 ALA 28 HB1 ALA 28 7.542 39.753 7.204
176 HB2 ALA 28 HB2 ALA 28 8.547 38.809 6.105
177 HB3 ALA 28 HB3 ALA 28 7.053 38.123 6.743
178 H THR 29 H THR 29 8.185 37.586 10.563
179 HA THR 29 HA THR 29 7.031 34.965 9.877
180 HB THR 29 HB THR 29 7.688 35.360 12.695
181 HG1 THR 29 HG1 THR 29 9.879 35.518 12.465
182 HG21 THR 29 HG21 THR 29 8.615 33.169 12.483
183 HG22 THR 29 HG22 THR 29 7.134 33.203 11.525
184 HG23 THR 29 HG23 THR 29 8.704 33.312 10.728
185 H PHE 30 H PHE 30 4.912 34.760 10.118
186 HA PHE 30 HA PHE 30 3.559 36.115 12.316
187 HB2 PHE 30 HB2 PHE 30 1.766 36.941 10.815
188 HB3 PHE 30 HB3 PHE 30 3.322 37.697 10.489
189 HD1 PHE 30 HD1 PHE 30 4.687 36.842 8.540
190 HD2 PHE 30 HD2 PHE 30 0.600 35.815 9.136
191 HE1 PHE 30 HE1 PHE 30 4.511 36.186 6.175
192 HE2 PHE 30 HE2 PHE 30 0.417 35.157 6.772
193 HZ PHE 30 HZ PHE 30 2.373 35.343 5.288
194 H LYS 31 H LYS 31 1.098 35.454 12.189
195 HA LYS 31 HA LYS 31 1.022 32.561 11.631
196 HB2 LYS 31 HB2 LYS 31 0.935 32.884 13.997
197 HB3 LYS 31 HB3 LYS 31 -0.262 34.163 13.842
198 HG2 LYS 31 HG2 LYS 31 -1.890 32.513 13.021
199 HG3 LYS 31 HG3 LYS 31 -0.688 31.241 13.251
200 HD2 LYS 31 HD2 LYS 31 -1.940 31.115 15.200
201 HD3 LYS 31 HD3 LYS 31 -0.576 32.127 15.684
202 HE2 LYS 31 HE2 LYS 31 -1.930 34.127 15.339
203 HE3 LYS 31 HE3 LYS 31 -3.287 33.130 14.817
204 HZ1 LYS 31 HZ1 LYS 31 -2.309 33.670 17.488
205 HZ2 LYS 31 HZ2 LYS 31 -3.870 33.281 16.963
206 HZ3 LYS 31 HZ3 LYS 31 -2.727 32.056 17.199
207 H CYS 32 H CYS 32 -0.405 31.912 10.165
208 HA CYS 32 HA CYS 32 -2.115 33.713 8.820
209 HB2 CYS 32 HB2 CYS 32 -1.107 31.586 7.884
210 HB3 CYS 32 HB3 CYS 32 -2.332 30.702 8.785
211 HG CYS 32 HG CYS 32 -2.961 32.976 6.305
212 HA PRO 33 HA PRO 33 -5.509 33.678 11.682
213 HB2 PRO 33 HB2 PRO 33 -7.215 35.123 10.143
214 HB3 PRO 33 HB3 PRO 33 -5.871 35.851 11.030
215 HG2 PRO 33 HG2 PRO 33 -6.042 35.093 8.139
216 HG3 PRO 33 HG3 PRO 33 -5.362 36.556 8.874
217 HD2 PRO 33 HD2 PRO 33 -3.820 34.494 8.039
218 HD3 PRO 33 HD3 PRO 33 -3.384 35.512 9.426
219 H ASP 34 H ASP 34 -5.321 32.145 8.681
220 HA ASP 34 HA ASP 34 -8.065 31.177 8.693
221 HB2 ASP 34 HB2 ASP 34 -6.636 31.772 6.602
222 HB3 ASP 34 HB3 ASP 34 -5.915 30.183 6.845
223 H CYS 35 H CYS 35 -4.800 29.748 8.811
224 HA CYS 35 HA CYS 35 -5.980 27.400 10.141
225 HB2 CYS 35 HB2 CYS 35 -3.838 26.246 9.371
226 HB3 CYS 35 HB3 CYS 35 -5.006 26.654 8.120
227 HG CYS 35 HG CYS 35 -2.470 27.106 7.081
228 H GLY 36 H GLY 36 -3.162 29.558 10.103
229 HA2 GLY 36 HA2 GLY 36 -2.324 30.482 12.162
230 HA3 GLY 36 HA3 GLY 36 -2.836 29.013 12.979
231 H GLN 37 H GLN 37 -1.280 28.663 9.930
232 HA GLN 37 HA GLN 37 0.931 27.296 11.192
233 HB2 GLN 37 HB2 GLN 37 0.379 27.780 8.260
234 HB3 GLN 37 HB3 GLN 37 1.576 26.672 8.918
235 HG2 GLN 37 HG2 GLN 37 -1.205 26.280 9.818
236 HG3 GLN 37 HG3 GLN 37 -0.864 25.917 8.127
237 HE21 GLN 37 HE21 GLN 37 0.055 25.188 11.437
238 HE22 GLN 37 HE22 GLN 37 0.692 23.615 11.112
239 H GLU 38 H GLU 38 2.805 28.203 11.697
240 HA GLU 38 HA GLU 38 3.429 30.871 11.404
241 HB2 GLU 38 HB2 GLU 38 4.553 29.155 12.900
242 HB3 GLU 38 HB3 GLU 38 5.502 28.682 11.499
243 HG2 GLU 38 HG2 GLU 38 6.285 31.050 11.335
244 HG3 GLU 38 HG3 GLU 38 5.484 31.354 12.876
245 H ILE 39 H ILE 39 3.647 32.008 9.600
246 HA ILE 39 HA ILE 39 4.774 30.723 7.218
247 HB ILE 39 HB ILE 39 3.483 33.441 7.319
248 HG12 ILE 39 HG12 ILE 39 2.172 30.751 6.872
249 HG13 ILE 39 HG13 ILE 39 1.867 31.854 8.209
250 HG21 ILE 39 HG21 ILE 39 4.903 32.692 5.355
251 HG22 ILE 39 HG22 ILE 39 3.638 31.508 5.024
252 HG23 ILE 39 HG23 ILE 39 3.265 33.231 4.983
253 HD11 ILE 39 HD11 ILE 39 0.247 32.781 7.034
254 HD12 ILE 39 HD12 ILE 39 1.428 33.298 5.830
255 HD13 ILE 39 HD13 ILE 39 0.619 31.740 5.659
256 H SER 40 H SER 40 6.646 31.365 6.300
257 HA SER 40 HA SER 40 8.036 33.664 7.511
258 HB2 SER 40 HB2 SER 40 9.412 31.182 6.478
259 HB3 SER 40 HB3 SER 40 10.116 32.491 7.426
260 HG SER 40 HG SER 40 8.858 31.834 9.181
261 H ARG 41 H ARG 41 8.024 35.229 6.033
262 HA ARG 41 HA ARG 41 8.633 34.511 3.240
263 HB2 ARG 41 HB2 ARG 41 7.205 37.018 4.110
264 HB3 ARG 41 HB3 ARG 41 7.303 36.329 2.495
265 HG2 ARG 41 HG2 ARG 41 5.880 34.498 3.136
266 HG3 ARG 41 HG3 ARG 41 5.873 35.047 4.813
267 HD2 ARG 41 HD2 ARG 41 4.670 36.419 2.418
268 HD3 ARG 41 HD3 ARG 41 3.824 35.747 3.812
269 HE ARG 41 HE ARG 41 5.421 37.609 4.928
270 HH11 ARG 41 HH11 ARG 41 3.192 37.701 2.256
271 HH12 ARG 41 HH12 ARG 41 2.782 39.368 2.486
272 HH21 ARG 41 HH21 ARG 41 4.890 39.805 5.241
273 HH22 ARG 41 HH22 ARG 41 3.749 40.564 4.183
274 H CYS 42 H CYS 42 10.539 35.170 2.517
275 HA CYS 42 HA CYS 42 12.394 36.604 3.999
276 HB2 CYS 42 HB2 CYS 42 12.608 35.161 1.793
277 HB3 CYS 42 HB3 CYS 42 12.504 36.736 1.016
278 HG CYS 42 HG CYS 42 14.877 37.629 1.660
279 H SER 43 H SER 43 13.427 38.702 3.333
280 HA SER 43 HA SER 43 11.731 40.831 3.710
281 HB2 SER 43 HB2 SER 43 13.908 41.466 4.045
282 HB3 SER 43 HB3 SER 43 14.502 40.547 2.662
283 HG SER 43 HG SER 43 14.589 42.485 1.814
284 H LYS 44 H LYS 44 12.639 39.268 0.710
285 HA LYS 44 HA LYS 44 11.855 41.134 -1.164
286 HB2 LYS 44 HB2 LYS 44 11.622 38.125 -1.206
287 HB3 LYS 44 HB3 LYS 44 11.286 39.132 -2.608
288 HG2 LYS 44 HG2 LYS 44 13.914 39.165 -1.150
289 HG3 LYS 44 HG3 LYS 44 13.574 38.112 -2.525
290 HD2 LYS 44 HD2 LYS 44 13.223 39.993 -3.963
291 HD3 LYS 44 HD3 LYS 44 13.296 41.113 -2.601
292 HE2 LYS 44 HE2 LYS 44 15.654 40.342 -2.222
293 HE3 LYS 44 HE3 LYS 44 15.539 39.453 -3.740
294 HZ1 LYS 44 HZ1 LYS 44 14.730 41.884 -4.494
295 HZ2 LYS 44 HZ2 LYS 44 15.834 42.297 -3.281
296 HZ3 LYS 44 HZ3 LYS 44 16.333 41.353 -4.594
297 H CYS 45 H CYS 45 9.885 39.126 0.895
298 HA CYS 45 HA CYS 45 7.450 39.168 -0.403
299 HB2 CYS 45 HB2 CYS 45 6.448 38.680 1.674
300 HB3 CYS 45 HB3 CYS 45 8.078 38.031 1.804
301 HG CYS 45 HG CYS 45 8.688 40.802 2.990
302 H ARG 46 H ARG 46 9.136 41.759 1.159
303 HA ARG 46 HA ARG 46 7.150 43.542 1.802
304 HB2 ARG 46 HB2 ARG 46 9.902 43.966 0.661
305 HB3 ARG 46 HB3 ARG 46 8.857 45.324 1.057
306 HG2 ARG 46 HG2 ARG 46 8.694 44.392 3.382
307 HG3 ARG 46 HG3 ARG 46 9.955 43.244 2.927
308 HD2 ARG 46 HD2 ARG 46 11.087 45.019 3.970
309 HD3 ARG 46 HD3 ARG 46 11.332 45.268 2.242
310 HE ARG 46 HE ARG 46 9.058 46.685 3.228
311 HH11 ARG 46 HH11 ARG 46 12.529 46.767 2.974
312 HH12 ARG 46 HH12 ARG 46 12.624 48.495 3.058
313 HH21 ARG 46 HH21 ARG 46 9.170 48.960 3.339
314 HH22 ARG 46 HH22 ARG 46 10.714 49.741 3.266
315 H LYS 47 H LYS 47 8.393 42.722 -1.378
316 HA LYS 47 HA LYS 47 6.876 44.789 -2.705
317 HB2 LYS 47 HB2 LYS 47 9.121 43.828 -3.475
318 HB3 LYS 47 HB3 LYS 47 8.207 42.429 -4.024
319 HG2 LYS 47 HG2 LYS 47 7.182 43.589 -5.717
320 HG3 LYS 47 HG3 LYS 47 7.365 45.146 -4.907
321 HD2 LYS 47 HD2 LYS 47 8.978 45.383 -6.498
322 HD3 LYS 47 HD3 LYS 47 9.940 44.586 -5.252
323 HE2 LYS 47 HE2 LYS 47 10.392 43.484 -7.314
324 HE3 LYS 47 HE3 LYS 47 9.388 42.403 -6.348
325 HZ1 LYS 47 HZ1 LYS 47 8.608 42.443 -8.607
326 HZ2 LYS 47 HZ2 LYS 47 7.453 43.183 -7.615
327 HZ3 LYS 47 HZ3 LYS 47 8.469 44.129 -8.583
328 H GLN 48 H GLN 48 6.574 41.357 -2.055
329 HA GLN 48 HA GLN 48 4.276 41.037 -3.768
330 HB2 GLN 48 HB2 GLN 48 6.112 39.287 -2.884
331 HB3 GLN 48 HB3 GLN 48 4.868 39.027 -1.669
332 HG2 GLN 48 HG2 GLN 48 4.602 37.445 -3.457
333 HG3 GLN 48 HG3 GLN 48 3.245 38.570 -3.454
334 HE21 GLN 48 HE21 GLN 48 2.879 39.821 -5.205
335 HE22 GLN 48 HE22 GLN 48 3.822 39.769 -6.651
336 H SER 49 H SER 49 4.673 42.572 -0.924
337 HA SER 49 HA SER 49 2.692 41.652 0.787
338 HB2 SER 49 HB2 SER 49 4.448 43.609 1.015
339 HB3 SER 49 HB3 SER 49 3.095 44.601 0.470
340 HG SER 49 HG SER 49 3.156 44.432 2.746
341 H ASN 50 H ASN 50 2.438 43.646 -2.089
342 HA ASN 50 HA ASN 50 -0.116 44.662 -1.826
343 HB2 ASN 50 HB2 ASN 50 1.001 43.594 -4.421
344 HB3 ASN 50 HB3 ASN 50 -0.146 44.913 -4.204
345 HD21 ASN 50 HD21 ASN 50 2.580 44.693 -5.450
346 HD22 ASN 50 HD22 ASN 50 3.481 45.984 -4.740
347 H LEU 51 H LEU 51 0.903 41.429 -2.741
348 HA LEU 51 HA LEU 51 -1.754 40.423 -2.205
349 HB2 LEU 51 HB2 LEU 51 -0.607 40.585 -4.935
350 HB3 LEU 51 HB3 LEU 51 -1.459 39.104 -4.501
351 HG LEU 51 HG LEU 51 -2.652 41.872 -4.361
352 HD11 LEU 51 HD11 LEU 51 -3.253 39.745 -6.396
353 HD12 LEU 51 HD12 LEU 51 -3.754 41.436 -6.395
354 HD13 LEU 51 HD13 LEU 51 -2.064 41.017 -6.672
355 HD21 LEU 51 HD21 LEU 51 -4.480 40.950 -3.462
356 HD22 LEU 51 HD22 LEU 51 -4.400 39.539 -4.517
357 HD23 LEU 51 HD23 LEU 51 -3.427 39.597 -3.048
358 H TYR 52 H TYR 52 -1.525 38.618 -1.074
359 HA TYR 52 HA TYR 52 0.752 36.853 -1.654
360 HB2 TYR 52 HB2 TYR 52 1.304 36.597 0.630
361 HB3 TYR 52 HB3 TYR 52 1.106 38.331 0.398
362 HD1 TYR 52 HD1 TYR 52 -1.440 39.136 0.802
363 HD2 TYR 52 HD2 TYR 52 0.377 35.701 2.535
364 HE1 TYR 52 HE1 TYR 52 -3.084 39.196 2.631
365 HE2 TYR 52 HE2 TYR 52 -1.262 35.751 4.368
366 HH TYR 52 HH TYR 52 -4.067 37.658 4.274
367 H GLU 53 H GLU 53 0.434 34.697 -0.409
368 HA GLU 53 HA GLU 53 -2.303 33.909 0.026
369 HB2 GLU 53 HB2 GLU 53 -2.275 33.765 -2.383
370 HB3 GLU 53 HB3 GLU 53 -0.765 32.864 -2.355
371 HG2 GLU 53 HG2 GLU 53 -1.964 31.046 -1.136
372 HG3 GLU 53 HG3 GLU 53 -3.463 31.932 -1.410
373 H CYS 54 H CYS 54 -2.302 32.484 1.628
374 HA CYS 54 HA CYS 54 0.078 31.420 2.709
375 HB2 CYS 54 HB2 CYS 54 -1.968 31.879 4.034
376 HB3 CYS 54 HB3 CYS 54 -2.770 30.540 3.223
377 HG CYS 54 HG CYS 54 -2.160 29.576 5.705
378 HA PRO 55 HA PRO 55 0.405 28.014 -0.183
379 HB2 PRO 55 HB2 PRO 55 2.800 27.137 0.748
380 HB3 PRO 55 HB3 PRO 55 2.639 28.531 -0.327
381 HG2 PRO 55 HG2 PRO 55 2.981 28.462 2.646
382 HG3 PRO 55 HG3 PRO 55 3.758 29.521 1.454
383 HD2 PRO 55 HD2 PRO 55 1.658 30.322 2.964
384 HD3 PRO 55 HD3 PRO 55 1.928 30.915 1.312
385 H ASP 56 H ASP 56 0.118 28.001 3.213
386 HA ASP 56 HA ASP 56 0.319 25.147 3.559
387 HB2 ASP 56 HB2 ASP 56 0.568 27.247 5.270
388 HB3 ASP 56 HB3 ASP 56 -1.075 26.722 5.628
389 H CYS 57 H CYS 57 -2.353 27.494 3.856
390 HA CYS 57 HA CYS 57 -4.232 25.285 3.364
391 HB2 CYS 57 HB2 CYS 57 -5.942 26.743 4.393
392 HB3 CYS 57 HB3 CYS 57 -4.603 26.414 5.487
393 HG CYS 57 HG CYS 57 -4.267 29.227 3.693
394 H GLY 58 H GLY 58 -2.669 26.983 1.400
395 HA2 GLY 58 HA2 GLY 58 -3.026 28.158 -0.554
396 HA3 GLY 58 HA3 GLY 58 -4.378 27.047 -0.716
397 H PHE 59 H PHE 59 -3.954 29.619 1.676
398 HA PHE 59 HA PHE 59 -6.546 30.700 0.912
399 HB2 PHE 59 HB2 PHE 59 -6.226 30.413 3.270
400 HB3 PHE 59 HB3 PHE 59 -4.691 31.272 3.226
401 HD1 PHE 59 HD1 PHE 59 -8.083 32.062 1.890
402 HD2 PHE 59 HD2 PHE 59 -4.860 33.226 4.415
403 HE1 PHE 59 HE1 PHE 59 -9.252 34.165 2.407
404 HE2 PHE 59 HE2 PHE 59 -6.024 35.330 4.937
405 HZ PHE 59 HZ PHE 59 -8.223 35.801 3.933
406 H MET 60 H MET 60 -6.524 32.068 -0.755
407 HA MET 60 HA MET 60 -4.248 33.765 -1.287
408 HB2 MET 60 HB2 MET 60 -6.934 33.645 -2.670
409 HB3 MET 60 HB3 MET 60 -5.502 34.479 -3.260
410 HG2 MET 60 HG2 MET 60 -4.494 32.567 -3.940
411 HG3 MET 60 HG3 MET 60 -5.238 31.593 -2.674
412 HE1 MET 60 HE1 MET 60 -6.820 29.406 -4.374
413 HE2 MET 60 HE2 MET 60 -6.748 30.203 -2.802
414 HE3 MET 60 HE3 MET 60 -8.243 30.231 -3.738
415 H GLY 61 H GLY 61 -3.973 35.742 -0.493
416 HA2 GLY 61 HA2 GLY 61 -6.362 37.308 0.236
417 HA3 GLY 61 HA3 GLY 61 -5.023 37.153 1.363
418 HA PRO 62 HA PRO 62 -4.488 40.897 -1.448
419 HB2 PRO 62 HB2 PRO 62 -4.600 42.776 0.508
420 HB3 PRO 62 HB3 PRO 62 -6.031 42.203 -0.356
421 HG2 PRO 62 HG2 PRO 62 -4.998 41.402 2.337
422 HG3 PRO 62 HG3 PRO 62 -6.665 41.735 1.831
423 HD2 PRO 62 HD2 PRO 62 -5.697 39.220 2.091
424 HD3 PRO 62 HD3 PRO 62 -6.929 39.649 0.887
Start of MODEL 19
1 H1 GLY 1 H GLY 1 5.651 -3.495 0.043
2 HA2 GLY 1 HA2 GLY 1 4.530 -1.918 1.423
3 HA3 GLY 1 HA3 GLY 1 6.018 -1.697 2.332
4 H ALA 2 H ALA 2 4.756 0.538 1.670
5 HA ALA 2 HA ALA 2 6.450 1.654 -0.455
6 HB1 ALA 2 HB1 ALA 2 3.500 2.175 -0.110
7 HB2 ALA 2 HB2 ALA 2 4.562 3.067 -1.200
8 HB3 ALA 2 HB3 ALA 2 4.279 1.345 -1.457
9 H MET 3 H MET 3 6.990 3.860 -0.212
10 HA MET 3 HA MET 3 7.243 4.699 2.506
11 HB2 MET 3 HB2 MET 3 8.006 5.909 -0.138
12 HB3 MET 3 HB3 MET 3 8.182 6.816 1.358
13 HG2 MET 3 HG2 MET 3 10.268 5.906 1.137
14 HG3 MET 3 HG3 MET 3 9.479 4.708 2.159
15 HE1 MET 3 HE1 MET 3 11.369 5.022 -1.484
16 HE2 MET 3 HE2 MET 3 11.965 4.977 0.175
17 HE3 MET 3 HE3 MET 3 12.080 3.541 -0.842
18 H GLY 4 H GLY 4 6.364 6.537 3.505
19 HA2 GLY 4 HA2 GLY 4 3.726 7.263 2.472
20 HA3 GLY 4 HA3 GLY 4 4.312 7.538 4.106
21 H SER 5 H SER 5 5.399 8.460 0.834
22 HA SER 5 HA SER 5 6.586 10.859 1.517
23 HB2 SER 5 HB2 SER 5 6.422 11.470 -0.817
24 HB3 SER 5 HB3 SER 5 6.726 9.736 -0.717
25 HG SER 5 HG SER 5 4.942 10.636 -2.155
26 H GLU 6 H GLU 6 3.227 10.293 0.503
27 HA GLU 6 HA GLU 6 2.342 12.929 0.533
28 HB2 GLU 6 HB2 GLU 6 1.151 10.704 -0.173
29 HB3 GLU 6 HB3 GLU 6 0.558 10.719 1.482
30 HG2 GLU 6 HG2 GLU 6 -0.164 13.149 0.925
31 HG3 GLU 6 HG3 GLU 6 -0.013 12.616 -0.748
32 H SER 7 H SER 7 2.725 10.631 3.165
33 HA SER 7 HA SER 7 1.323 11.983 5.164
34 HB2 SER 7 HB2 SER 7 2.481 9.634 5.165
35 HB3 SER 7 HB3 SER 7 3.868 10.523 5.793
36 HG SER 7 HG SER 7 1.398 11.000 6.987
37 H GLU 8 H GLU 8 4.796 12.140 4.381
38 HA GLU 8 HA GLU 8 4.860 14.913 5.236
39 HB2 GLU 8 HB2 GLU 8 6.375 12.719 6.630
40 HB3 GLU 8 HB3 GLU 8 6.956 14.379 6.635
41 HG2 GLU 8 HG2 GLU 8 5.782 14.324 8.591
42 HG3 GLU 8 HG3 GLU 8 4.546 14.914 7.481
43 H GLN 9 H GLN 9 6.755 16.039 4.544
44 HA GLN 9 HA GLN 9 8.619 14.619 2.821
45 HB2 GLN 9 HB2 GLN 9 6.996 16.940 1.769
46 HB3 GLN 9 HB3 GLN 9 8.222 16.032 0.893
47 HG2 GLN 9 HG2 GLN 9 6.795 14.011 1.115
48 HG3 GLN 9 HG3 GLN 9 5.546 15.029 1.828
49 HE21 GLN 9 HE21 GLN 9 6.994 13.922 -1.041
50 HE22 GLN 9 HE22 GLN 9 6.048 14.844 -2.155
51 H ARG 10 H ARG 10 10.412 16.015 2.101
52 HA ARG 10 HA ARG 10 11.452 17.525 4.239
53 HB2 ARG 10 HB2 ARG 10 12.288 16.990 1.422
54 HB3 ARG 10 HB3 ARG 10 13.091 18.281 2.306
55 HG2 ARG 10 HG2 ARG 10 14.460 16.476 2.714
56 HG3 ARG 10 HG3 ARG 10 13.420 16.482 4.140
57 HD2 ARG 10 HD2 ARG 10 12.667 14.875 1.733
58 HD3 ARG 10 HD3 ARG 10 13.864 14.255 2.870
59 HE ARG 10 HE ARG 10 11.575 15.107 4.274
60 HH11 ARG 10 HH11 ARG 10 12.658 12.580 2.138
61 HH12 ARG 10 HH12 ARG 10 11.548 11.402 2.756
62 HH21 ARG 10 HH21 ARG 10 10.108 13.566 5.096
63 HH22 ARG 10 HH22 ARG 10 10.097 11.964 4.438
64 H HIS 11 H HIS 11 11.621 19.695 4.598
65 HA HIS 11 HA HIS 11 10.992 21.688 2.684
66 HB2 HIS 11 HB2 HIS 11 8.933 22.539 3.937
67 HB3 HIS 11 HB3 HIS 11 8.710 21.123 2.915
68 HD1 HIS 11 HD1 HIS 11 6.911 19.876 4.105
69 HD2 HIS 11 HD2 HIS 11 9.946 21.090 6.670
70 HE1 HIS 11 HE1 HIS 11 6.384 18.811 6.322
71 H ALA 12 H ALA 12 10.382 23.839 4.083
72 HA ALA 12 HA ALA 12 11.453 24.098 6.661
73 HB1 ALA 12 HB1 ALA 12 13.638 23.877 6.185
74 HB2 ALA 12 HB2 ALA 12 13.402 24.194 4.467
75 HB3 ALA 12 HB3 ALA 12 13.495 25.536 5.607
76 H HIS 13 H HIS 13 12.041 26.500 7.110
77 HA HIS 13 HA HIS 13 9.819 28.067 6.280
78 HB2 HIS 13 HB2 HIS 13 12.181 28.471 8.048
79 HB3 HIS 13 HB3 HIS 13 11.346 29.907 7.464
80 HD1 HIS 13 HD1 HIS 13 10.889 30.102 10.157
81 HD2 HIS 13 HD2 HIS 13 8.818 27.158 8.081
82 HE1 HIS 13 HE1 HIS 13 8.958 29.466 11.638
83 H GLN 14 H GLN 14 9.710 28.722 4.216
84 HA GLN 14 HA GLN 14 12.027 30.179 3.131
85 HB2 GLN 14 HB2 GLN 14 10.381 28.028 1.925
86 HB3 GLN 14 HB3 GLN 14 10.819 29.365 0.870
87 HG2 GLN 14 HG2 GLN 14 13.023 28.830 0.866
88 HG3 GLN 14 HG3 GLN 14 12.976 28.151 2.492
89 HE21 GLN 14 HE21 GLN 14 14.242 26.964 0.270
90 HE22 GLN 14 HE22 GLN 14 13.440 25.470 -0.066
91 H CYS 15 H CYS 15 11.363 31.664 1.293
92 HA CYS 15 HA CYS 15 9.377 33.454 2.252
93 HB2 CYS 15 HB2 CYS 15 11.467 34.067 0.952
94 HB3 CYS 15 HB3 CYS 15 10.640 33.490 -0.490
95 HG CYS 15 HG CYS 15 8.873 35.720 1.270
96 H VAL 16 H VAL 16 7.306 33.773 1.642
97 HA VAL 16 HA VAL 16 5.926 31.688 0.300
98 HB VAL 16 HB VAL 16 3.930 33.011 0.580
99 HG11 VAL 16 HG11 VAL 16 5.815 33.190 2.924
100 HG12 VAL 16 HG12 VAL 16 4.083 33.510 3.027
101 HG13 VAL 16 HG13 VAL 16 4.658 31.907 2.568
102 HG21 VAL 16 HG21 VAL 16 5.814 35.277 1.217
103 HG22 VAL 16 HG22 VAL 16 4.686 35.169 -0.135
104 HG23 VAL 16 HG23 VAL 16 4.076 35.321 1.513
105 H SER 17 H SER 17 7.327 34.690 -0.731
106 HA SER 17 HA SER 17 5.867 34.849 -3.201
107 HB2 SER 17 HB2 SER 17 6.644 36.923 -2.342
108 HB3 SER 17 HB3 SER 17 8.280 36.304 -2.119
109 HG SER 17 HG SER 17 7.246 36.240 -4.700
110 H CYS 18 H CYS 18 9.329 34.325 -2.506
111 HA CYS 18 HA CYS 18 9.503 32.792 -5.012
112 HB2 CYS 18 HB2 CYS 18 11.599 34.336 -3.481
113 HB3 CYS 18 HB3 CYS 18 11.982 33.255 -4.816
114 HG CYS 18 HG CYS 18 10.016 34.856 -6.429
115 H GLY 19 H GLY 19 11.550 32.865 -2.105
116 HA2 GLY 19 HA2 GLY 19 10.945 30.655 -0.742
117 HA3 GLY 19 HA3 GLY 19 11.695 29.959 -2.170
118 H ILE 20 H ILE 20 12.603 32.961 -0.548
119 HA ILE 20 HA ILE 20 15.343 32.431 -0.596
120 HB ILE 20 HB ILE 20 13.832 34.245 1.288
121 HG12 ILE 20 HG12 ILE 20 15.048 35.856 -0.535
122 HG13 ILE 20 HG13 ILE 20 14.680 34.454 -1.533
123 HG21 ILE 20 HG21 ILE 20 16.028 35.444 1.427
124 HG22 ILE 20 HG22 ILE 20 15.998 33.858 2.198
125 HG23 ILE 20 HG23 ILE 20 16.761 34.057 0.621
126 HD11 ILE 20 HD11 ILE 20 12.421 34.751 -1.354
127 HD12 ILE 20 HD12 ILE 20 12.542 35.592 0.192
128 HD13 ILE 20 HD13 ILE 20 12.983 36.422 -1.301
129 H ASN 21 H ASN 21 16.797 31.665 0.910
130 HA ASN 21 HA ASN 21 15.771 29.735 2.772
131 HB2 ASN 21 HB2 ASN 21 18.164 29.281 3.245
132 HB3 ASN 21 HB3 ASN 21 17.794 29.231 1.524
133 HD21 ASN 21 HD21 ASN 21 19.862 30.415 3.830
134 HD22 ASN 21 HD22 ASN 21 20.621 31.660 2.903
135 H ILE 22 H ILE 22 14.631 31.782 3.790
136 HA ILE 22 HA ILE 22 16.354 33.025 5.803
137 HB ILE 22 HB ILE 22 14.347 34.423 6.315
138 HG12 ILE 22 HG12 ILE 22 13.189 33.235 3.792
139 HG13 ILE 22 HG13 ILE 22 12.724 32.698 5.402
140 HG21 ILE 22 HG21 ILE 22 14.579 34.978 3.491
141 HG22 ILE 22 HG22 ILE 22 15.175 35.899 4.872
142 HG23 ILE 22 HG23 ILE 22 16.146 34.589 4.200
143 HD11 ILE 22 HD11 ILE 22 12.563 35.580 5.088
144 HD12 ILE 22 HD12 ILE 22 11.536 34.700 3.957
145 HD13 ILE 22 HD13 ILE 22 11.367 34.432 5.692
146 H ALA 23 H ALA 23 15.745 30.241 6.045
147 HA ALA 23 HA ALA 23 13.640 29.827 7.917
148 HB1 ALA 23 HB1 ALA 23 14.601 27.601 8.206
149 HB2 ALA 23 HB2 ALA 23 14.477 28.026 6.498
150 HB3 ALA 23 HB3 ALA 23 16.039 28.101 7.314
151 H GLY 24 H GLY 24 13.626 30.580 9.929
152 HA2 GLY 24 HA2 GLY 24 14.306 31.029 12.079
153 HA3 GLY 24 HA3 GLY 24 15.696 29.997 11.780
154 H MET 25 H MET 25 15.255 32.587 9.583
155 HA MET 25 HA MET 25 17.476 34.025 10.871
156 HB2 MET 25 HB2 MET 25 16.607 34.085 7.976
157 HB3 MET 25 HB3 MET 25 18.002 34.913 8.654
158 HG2 MET 25 HG2 MET 25 17.697 31.935 8.802
159 HG3 MET 25 HG3 MET 25 18.411 32.738 7.405
160 HE1 MET 25 HE1 MET 25 21.275 33.656 7.603
161 HE2 MET 25 HE2 MET 25 19.940 34.774 7.887
162 HE3 MET 25 HE3 MET 25 21.298 34.717 9.011
163 H SER 26 H SER 26 17.384 36.439 9.699
164 HA SER 26 HA SER 26 15.189 37.691 11.050
165 HB2 SER 26 HB2 SER 26 17.230 38.966 9.215
166 HB3 SER 26 HB3 SER 26 16.222 39.785 10.409
167 HG SER 26 HG SER 26 18.037 39.489 11.514
168 H ALA 27 H ALA 27 13.228 37.942 10.234
169 HA ALA 27 HA ALA 27 12.677 39.120 7.754
170 HB1 ALA 27 HB1 ALA 27 12.370 37.461 6.274
171 HB2 ALA 27 HB2 ALA 27 13.431 36.542 7.342
172 HB3 ALA 27 HB3 ALA 27 11.680 36.376 7.481
173 H ALA 28 H ALA 28 10.277 38.839 7.162
174 HA ALA 28 HA ALA 28 8.718 39.544 9.384
175 HB1 ALA 28 HB1 ALA 28 6.810 39.440 7.860
176 HB2 ALA 28 HB2 ALA 28 8.182 40.259 7.115
177 HB3 ALA 28 HB3 ALA 28 7.801 38.595 6.671
178 H THR 29 H THR 29 8.167 38.241 10.998
179 HA THR 29 HA THR 29 7.503 35.437 10.392
180 HB THR 29 HB THR 29 7.783 35.901 13.210
181 HG1 THR 29 HG1 THR 29 9.732 36.833 13.335
182 HG21 THR 29 HG21 THR 29 9.309 34.292 11.167
183 HG22 THR 29 HG22 THR 29 9.632 34.217 12.899
184 HG23 THR 29 HG23 THR 29 8.058 33.726 12.273
185 H PHE 30 H PHE 30 5.386 35.104 10.264
186 HA PHE 30 HA PHE 30 3.665 36.009 12.417
187 HB2 PHE 30 HB2 PHE 30 2.034 37.075 10.977
188 HB3 PHE 30 HB3 PHE 30 3.597 37.854 10.752
189 HD1 PHE 30 HD1 PHE 30 5.037 36.931 8.779
190 HD2 PHE 30 HD2 PHE 30 0.825 36.426 9.130
191 HE1 PHE 30 HE1 PHE 30 4.885 36.539 6.354
192 HE2 PHE 30 HE2 PHE 30 0.666 36.032 6.707
193 HZ PHE 30 HZ PHE 30 2.698 36.088 5.315
194 H LYS 31 H LYS 31 1.848 34.741 12.699
195 HA LYS 31 HA LYS 31 1.896 32.199 11.282
196 HB2 LYS 31 HB2 LYS 31 0.887 31.285 13.112
197 HB3 LYS 31 HB3 LYS 31 1.611 32.688 13.887
198 HG2 LYS 31 HG2 LYS 31 -0.554 33.889 13.554
199 HG3 LYS 31 HG3 LYS 31 -1.244 32.363 12.997
200 HD2 LYS 31 HD2 LYS 31 -0.975 31.349 15.101
201 HD3 LYS 31 HD3 LYS 31 0.137 32.603 15.655
202 HE2 LYS 31 HE2 LYS 31 -2.101 32.807 16.665
203 HE3 LYS 31 HE3 LYS 31 -1.657 34.221 15.711
204 HZ1 LYS 31 HZ1 LYS 31 -3.982 33.350 15.397
205 HZ2 LYS 31 HZ2 LYS 31 -3.084 33.570 13.979
206 HZ3 LYS 31 HZ3 LYS 31 -3.300 32.016 14.612
207 H CYS 32 H CYS 32 0.276 31.415 10.009
208 HA CYS 32 HA CYS 32 -1.411 33.264 8.700
209 HB2 CYS 32 HB2 CYS 32 -0.496 31.111 7.738
210 HB3 CYS 32 HB3 CYS 32 -1.710 30.258 8.685
211 HG CYS 32 HG CYS 32 -2.697 30.304 6.130
212 HA PRO 33 HA PRO 33 -4.782 33.361 11.568
213 HB2 PRO 33 HB2 PRO 33 -6.546 34.657 9.963
214 HB3 PRO 33 HB3 PRO 33 -5.195 35.471 10.759
215 HG2 PRO 33 HG2 PRO 33 -5.418 34.489 7.940
216 HG3 PRO 33 HG3 PRO 33 -4.746 36.016 8.544
217 HD2 PRO 33 HD2 PRO 33 -3.189 33.918 7.834
218 HD3 PRO 33 HD3 PRO 33 -2.739 35.046 9.128
219 H ASP 34 H ASP 34 -4.595 31.545 8.756
220 HA ASP 34 HA ASP 34 -7.330 30.530 8.943
221 HB2 ASP 34 HB2 ASP 34 -5.813 31.037 6.761
222 HB3 ASP 34 HB3 ASP 34 -5.449 29.330 6.999
223 H CYS 35 H CYS 35 -3.978 29.383 9.134
224 HA CYS 35 HA CYS 35 -4.972 26.993 10.543
225 HB2 CYS 35 HB2 CYS 35 -2.775 25.943 9.730
226 HB3 CYS 35 HB3 CYS 35 -4.051 26.170 8.541
227 HG CYS 35 HG CYS 35 -1.963 26.871 7.053
228 H GLY 36 H GLY 36 -2.272 29.282 10.261
229 HA2 GLY 36 HA2 GLY 36 -1.423 30.357 12.255
230 HA3 GLY 36 HA3 GLY 36 -1.773 28.879 13.139
231 H GLN 37 H GLN 37 -0.323 28.673 10.001
232 HA GLN 37 HA GLN 37 2.012 27.417 11.142
233 HB2 GLN 37 HB2 GLN 37 1.221 27.949 8.275
234 HB3 GLN 37 HB3 GLN 37 2.651 27.048 8.761
235 HG2 GLN 37 HG2 GLN 37 0.025 26.166 9.821
236 HG3 GLN 37 HG3 GLN 37 0.387 25.853 8.124
237 HE21 GLN 37 HE21 GLN 37 -0.015 23.768 9.802
238 HE22 GLN 37 HE22 GLN 37 1.472 22.938 10.095
239 H GLU 38 H GLU 38 3.864 28.396 11.598
240 HA GLU 38 HA GLU 38 4.306 31.112 11.450
241 HB2 GLU 38 HB2 GLU 38 5.614 29.246 12.700
242 HB3 GLU 38 HB3 GLU 38 6.596 29.182 11.243
243 HG2 GLU 38 HG2 GLU 38 7.380 31.364 11.535
244 HG3 GLU 38 HG3 GLU 38 6.113 31.757 12.697
245 H ILE 39 H ILE 39 4.364 32.372 9.717
246 HA ILE 39 HA ILE 39 5.421 31.313 7.198
247 HB ILE 39 HB ILE 39 3.994 33.938 7.596
248 HG12 ILE 39 HG12 ILE 39 2.846 31.227 6.902
249 HG13 ILE 39 HG13 ILE 39 2.516 32.162 8.356
250 HG21 ILE 39 HG21 ILE 39 5.375 32.879 5.431
251 HG22 ILE 39 HG22 ILE 39 3.675 32.606 5.051
252 HG23 ILE 39 HG23 ILE 39 4.248 34.236 5.406
253 HD11 ILE 39 HD11 ILE 39 1.900 33.821 6.173
254 HD12 ILE 39 HD12 ILE 39 1.204 32.237 5.830
255 HD13 ILE 39 HD13 ILE 39 0.792 33.076 7.326
256 H SER 40 H SER 40 7.308 31.959 6.379
257 HA SER 40 HA SER 40 8.628 34.287 7.616
258 HB2 SER 40 HB2 SER 40 10.770 33.182 7.237
259 HB3 SER 40 HB3 SER 40 9.714 32.131 8.179
260 HG SER 40 HG SER 40 9.345 30.897 6.377
261 H ARG 41 H ARG 41 8.379 35.914 6.210
262 HA ARG 41 HA ARG 41 9.001 35.395 3.376
263 HB2 ARG 41 HB2 ARG 41 7.359 37.708 4.392
264 HB3 ARG 41 HB3 ARG 41 7.493 37.113 2.743
265 HG2 ARG 41 HG2 ARG 41 6.258 35.129 3.301
266 HG3 ARG 41 HG3 ARG 41 6.235 35.580 5.006
267 HD2 ARG 41 HD2 ARG 41 4.115 36.055 3.753
268 HD3 ARG 41 HD3 ARG 41 4.822 37.444 4.577
269 HE ARG 41 HE ARG 41 5.711 37.291 1.886
270 HH11 ARG 41 HH11 ARG 41 2.976 38.175 3.850
271 HH12 ARG 41 HH12 ARG 41 2.359 39.321 2.707
272 HH21 ARG 41 HH21 ARG 41 4.909 38.798 0.372
273 HH22 ARG 41 HH22 ARG 41 3.459 39.674 0.728
274 H CYS 42 H CYS 42 10.851 36.232 2.698
275 HA CYS 42 HA CYS 42 12.561 37.794 4.227
276 HB2 CYS 42 HB2 CYS 42 12.908 36.436 1.979
277 HB3 CYS 42 HB3 CYS 42 12.669 38.020 1.250
278 HG CYS 42 HG CYS 42 14.873 38.038 3.762
279 H SER 43 H SER 43 13.397 39.995 3.608
280 HA SER 43 HA SER 43 11.509 41.947 4.036
281 HB2 SER 43 HB2 SER 43 13.294 43.490 2.906
282 HB3 SER 43 HB3 SER 43 13.700 42.646 4.401
283 HG SER 43 HG SER 43 14.922 42.493 2.057
284 H LYS 44 H LYS 44 12.569 40.561 0.998
285 HA LYS 44 HA LYS 44 11.608 42.391 -0.828
286 HB2 LYS 44 HB2 LYS 44 11.570 39.372 -1.001
287 HB3 LYS 44 HB3 LYS 44 11.313 40.453 -2.365
288 HG2 LYS 44 HG2 LYS 44 13.816 40.434 -0.696
289 HG3 LYS 44 HG3 LYS 44 13.615 39.512 -2.187
290 HD2 LYS 44 HD2 LYS 44 13.424 41.469 -3.490
291 HD3 LYS 44 HD3 LYS 44 13.174 42.485 -2.068
292 HE2 LYS 44 HE2 LYS 44 15.426 42.759 -2.979
293 HE3 LYS 44 HE3 LYS 44 15.468 42.072 -1.356
294 HZ1 LYS 44 HZ1 LYS 44 15.575 40.380 -3.781
295 HZ2 LYS 44 HZ2 LYS 44 16.971 41.024 -3.074
296 HZ3 LYS 44 HZ3 LYS 44 15.989 39.963 -2.194
297 H CYS 45 H CYS 45 9.840 40.149 1.173
298 HA CYS 45 HA CYS 45 7.412 40.003 -0.142
299 HB2 CYS 45 HB2 CYS 45 6.468 39.314 1.898
300 HB3 CYS 45 HB3 CYS 45 8.160 38.848 2.027
301 HG CYS 45 HG CYS 45 6.657 40.179 4.335
302 H ARG 46 H ARG 46 8.857 42.682 1.495
303 HA ARG 46 HA ARG 46 6.728 44.242 2.240
304 HB2 ARG 46 HB2 ARG 46 9.374 45.004 1.016
305 HB3 ARG 46 HB3 ARG 46 8.219 46.208 1.571
306 HG2 ARG 46 HG2 ARG 46 8.389 45.462 3.817
307 HG3 ARG 46 HG3 ARG 46 9.300 44.029 3.335
308 HD2 ARG 46 HD2 ARG 46 10.827 45.631 4.260
309 HD3 ARG 46 HD3 ARG 46 11.110 45.522 2.523
310 HE ARG 46 HE ARG 46 9.296 47.607 3.041
311 HH11 ARG 46 HH11 ARG 46 12.655 46.794 3.456
312 HH12 ARG 46 HH12 ARG 46 13.195 48.439 3.398
313 HH21 ARG 46 HH21 ARG 46 9.994 49.777 2.963
314 HH22 ARG 46 HH22 ARG 46 11.681 50.135 3.119
315 H LYS 47 H LYS 47 7.943 43.626 -0.991
316 HA LYS 47 HA LYS 47 6.222 45.592 -2.220
317 HB2 LYS 47 HB2 LYS 47 7.909 43.404 -3.449
318 HB3 LYS 47 HB3 LYS 47 7.085 44.674 -4.345
319 HG2 LYS 47 HG2 LYS 47 8.513 46.168 -2.622
320 HG3 LYS 47 HG3 LYS 47 9.575 44.767 -2.781
321 HD2 LYS 47 HD2 LYS 47 8.420 45.974 -5.248
322 HD3 LYS 47 HD3 LYS 47 9.748 46.810 -4.438
323 HE2 LYS 47 HE2 LYS 47 10.965 45.470 -5.815
324 HE3 LYS 47 HE3 LYS 47 10.783 44.364 -4.454
325 HZ1 LYS 47 HZ1 LYS 47 8.731 43.538 -5.660
326 HZ2 LYS 47 HZ2 LYS 47 9.305 44.371 -7.016
327 HZ3 LYS 47 HZ3 LYS 47 10.225 43.124 -6.337
328 H GLN 48 H GLN 48 6.228 42.125 -1.673
329 HA GLN 48 HA GLN 48 3.896 41.675 -3.313
330 HB2 GLN 48 HB2 GLN 48 5.803 40.029 -1.798
331 HB3 GLN 48 HB3 GLN 48 4.154 39.419 -1.789
332 HG2 GLN 48 HG2 GLN 48 4.388 39.926 -4.393
333 HG3 GLN 48 HG3 GLN 48 6.086 39.640 -4.012
334 HE21 GLN 48 HE21 GLN 48 5.387 37.883 -5.646
335 HE22 GLN 48 HE22 GLN 48 4.918 36.375 -4.946
336 H SER 49 H SER 49 4.277 43.138 -0.433
337 HA SER 49 HA SER 49 2.473 41.994 1.330
338 HB2 SER 49 HB2 SER 49 4.015 44.001 1.706
339 HB3 SER 49 HB3 SER 49 2.744 44.978 0.971
340 HG SER 49 HG SER 49 2.672 44.794 3.319
341 H ASN 50 H ASN 50 1.889 43.957 -1.507
342 HA ASN 50 HA ASN 50 -0.726 44.751 -1.118
343 HB2 ASN 50 HB2 ASN 50 0.479 45.532 -3.038
344 HB3 ASN 50 HB3 ASN 50 0.683 43.893 -3.649
345 HD21 ASN 50 HD21 ASN 50 -2.173 45.515 -2.340
346 HD22 ASN 50 HD22 ASN 50 -3.140 45.337 -3.760
347 H LEU 51 H LEU 51 0.521 41.603 -2.036
348 HA LEU 51 HA LEU 51 -2.000 40.377 -1.351
349 HB2 LEU 51 HB2 LEU 51 -2.258 41.033 -3.739
350 HB3 LEU 51 HB3 LEU 51 -0.884 39.999 -4.125
351 HG LEU 51 HG LEU 51 -2.431 38.186 -2.926
352 HD11 LEU 51 HD11 LEU 51 -4.687 38.533 -3.067
353 HD12 LEU 51 HD12 LEU 51 -4.142 40.165 -2.678
354 HD13 LEU 51 HD13 LEU 51 -4.536 39.740 -4.344
355 HD21 LEU 51 HD21 LEU 51 -2.507 37.277 -4.972
356 HD22 LEU 51 HD22 LEU 51 -3.328 38.674 -5.668
357 HD23 LEU 51 HD23 LEU 51 -1.575 38.690 -5.469
358 H TYR 52 H TYR 52 -1.474 38.687 -0.150
359 HA TYR 52 HA TYR 52 0.959 37.172 -0.838
360 HB2 TYR 52 HB2 TYR 52 1.487 36.889 1.439
361 HB3 TYR 52 HB3 TYR 52 1.021 38.581 1.306
362 HD1 TYR 52 HD1 TYR 52 -1.549 39.042 1.762
363 HD2 TYR 52 HD2 TYR 52 0.586 35.637 3.158
364 HE1 TYR 52 HE1 TYR 52 -3.226 38.724 3.533
365 HE2 TYR 52 HE2 TYR 52 -1.086 35.309 4.932
366 HH TYR 52 HH TYR 52 -2.875 36.162 5.957
367 H GLU 53 H GLU 53 0.891 34.929 0.280
368 HA GLU 53 HA GLU 53 -1.729 33.767 0.575
369 HB2 GLU 53 HB2 GLU 53 -1.671 33.723 -1.812
370 HB3 GLU 53 HB3 GLU 53 -0.014 33.136 -1.824
371 HG2 GLU 53 HG2 GLU 53 -0.772 31.024 -0.828
372 HG3 GLU 53 HG3 GLU 53 -2.433 31.613 -0.881
373 H CYS 54 H CYS 54 -1.642 32.102 1.951
374 HA CYS 54 HA CYS 54 0.853 31.341 3.102
375 HB2 CYS 54 HB2 CYS 54 -1.265 31.471 4.391
376 HB3 CYS 54 HB3 CYS 54 -1.875 30.091 3.486
377 HG CYS 54 HG CYS 54 -1.221 28.984 5.861
378 HA PRO 55 HA PRO 55 1.661 28.176 0.041
379 HB2 PRO 55 HB2 PRO 55 4.105 27.509 1.019
380 HB3 PRO 55 HB3 PRO 55 3.827 28.943 0.024
381 HG2 PRO 55 HG2 PRO 55 4.068 28.720 2.999
382 HG3 PRO 55 HG3 PRO 55 4.764 29.932 1.908
383 HD2 PRO 55 HD2 PRO 55 2.534 30.398 3.372
384 HD3 PRO 55 HD3 PRO 55 2.795 31.123 1.773
385 H ASP 56 H ASP 56 1.276 27.911 3.421
386 HA ASP 56 HA ASP 56 1.772 25.077 3.592
387 HB2 ASP 56 HB2 ASP 56 1.775 27.052 5.443
388 HB3 ASP 56 HB3 ASP 56 0.163 26.390 5.700
389 H CYS 57 H CYS 57 -1.151 27.081 4.016
390 HA CYS 57 HA CYS 57 -2.767 24.730 3.315
391 HB2 CYS 57 HB2 CYS 57 -4.644 25.915 4.368
392 HB3 CYS 57 HB3 CYS 57 -3.293 25.740 5.481
393 HG CYS 57 HG CYS 57 -4.918 28.380 5.028
394 H GLY 58 H GLY 58 -1.335 26.711 1.502
395 HA2 GLY 58 HA2 GLY 58 -1.763 27.948 -0.400
396 HA3 GLY 58 HA3 GLY 58 -2.953 26.686 -0.682
397 H PHE 59 H PHE 59 -2.889 29.233 1.788
398 HA PHE 59 HA PHE 59 -5.582 30.011 0.958
399 HB2 PHE 59 HB2 PHE 59 -5.374 29.579 3.309
400 HB3 PHE 59 HB3 PHE 59 -3.961 30.622 3.432
401 HD1 PHE 59 HD1 PHE 59 -7.579 30.701 2.575
402 HD2 PHE 59 HD2 PHE 59 -4.211 32.829 4.075
403 HE1 PHE 59 HE1 PHE 59 -9.037 32.598 3.149
404 HE2 PHE 59 HE2 PHE 59 -5.664 34.729 4.652
405 HZ PHE 59 HZ PHE 59 -8.080 34.615 4.188
406 H MET 60 H MET 60 -5.612 31.491 -0.611
407 HA MET 60 HA MET 60 -3.529 33.483 -0.845
408 HB2 MET 60 HB2 MET 60 -5.022 32.223 -2.696
409 HB3 MET 60 HB3 MET 60 -5.980 33.685 -2.502
410 HG2 MET 60 HG2 MET 60 -3.286 34.486 -2.709
411 HG3 MET 60 HG3 MET 60 -3.574 33.291 -3.972
412 HE1 MET 60 HE1 MET 60 -5.392 34.756 -6.572
413 HE2 MET 60 HE2 MET 60 -5.029 33.298 -5.648
414 HE3 MET 60 HE3 MET 60 -6.594 34.090 -5.468
415 H GLY 61 H GLY 61 -3.678 35.631 -0.392
416 HA2 GLY 61 HA2 GLY 61 -6.243 36.799 0.330
417 HA3 GLY 61 HA3 GLY 61 -5.070 36.675 1.633
418 HA PRO 62 HA PRO 62 -4.514 40.675 -0.777
419 HB2 PRO 62 HB2 PRO 62 -5.009 42.351 1.301
420 HB3 PRO 62 HB3 PRO 62 -6.278 41.753 0.225
421 HG2 PRO 62 HG2 PRO 62 -5.492 40.786 2.947
422 HG3 PRO 62 HG3 PRO 62 -7.113 41.037 2.274
423 HD2 PRO 62 HD2 PRO 62 -5.966 38.590 2.438
424 HD3 PRO 62 HD3 PRO 62 -7.087 39.034 1.135
Start of MODEL 20
1 H1 GLY 1 H GLY 1 2.896 21.595 5.831
2 HA2 GLY 1 HA2 GLY 1 2.360 21.168 3.530
3 HA3 GLY 1 HA3 GLY 1 3.274 22.604 3.092
4 H ALA 2 H ALA 2 3.952 19.641 4.961
5 HA ALA 2 HA ALA 2 6.616 19.512 3.838
6 HB1 ALA 2 HB1 ALA 2 5.142 17.880 5.881
7 HB2 ALA 2 HB2 ALA 2 6.721 17.397 5.263
8 HB3 ALA 2 HB3 ALA 2 6.537 18.934 6.107
9 H MET 3 H MET 3 6.936 18.674 1.888
10 HA MET 3 HA MET 3 5.085 17.110 0.476
11 HB2 MET 3 HB2 MET 3 8.069 17.308 0.029
12 HB3 MET 3 HB3 MET 3 6.882 16.750 -1.142
13 HG2 MET 3 HG2 MET 3 6.963 19.519 0.032
14 HG3 MET 3 HG3 MET 3 7.640 19.063 -1.529
15 HE1 MET 3 HE1 MET 3 6.206 21.285 -1.799
16 HE2 MET 3 HE2 MET 3 5.965 20.515 -3.368
17 HE3 MET 3 HE3 MET 3 4.590 21.201 -2.502
18 H GLY 4 H GLY 4 4.982 14.915 0.016
19 HA2 GLY 4 HA2 GLY 4 5.256 12.658 0.355
20 HA3 GLY 4 HA3 GLY 4 6.869 13.014 0.955
21 H SER 5 H SER 5 3.802 11.924 1.766
22 HA SER 5 HA SER 5 3.904 12.699 4.554
23 HB2 SER 5 HB2 SER 5 2.021 10.628 3.473
24 HB3 SER 5 HB3 SER 5 1.756 11.817 4.749
25 HG SER 5 HG SER 5 1.229 13.272 3.300
26 H GLU 6 H GLU 6 4.317 9.754 2.635
27 HA GLU 6 HA GLU 6 4.727 8.019 4.836
28 HB2 GLU 6 HB2 GLU 6 5.646 6.455 3.155
29 HB3 GLU 6 HB3 GLU 6 4.098 7.134 2.672
30 HG2 GLU 6 HG2 GLU 6 5.166 7.419 0.716
31 HG3 GLU 6 HG3 GLU 6 5.724 8.898 1.496
32 H SER 7 H SER 7 6.888 9.963 2.851
33 HA SER 7 HA SER 7 9.243 8.928 4.198
34 HB2 SER 7 HB2 SER 7 8.697 10.474 1.774
35 HB3 SER 7 HB3 SER 7 10.079 11.084 2.684
36 HG SER 7 HG SER 7 11.129 9.224 2.377
37 H GLU 8 H GLU 8 7.350 11.903 4.057
38 HA GLU 8 HA GLU 8 7.201 13.674 5.479
39 HB2 GLU 8 HB2 GLU 8 8.961 12.172 7.408
40 HB3 GLU 8 HB3 GLU 8 7.755 13.399 7.769
41 HG2 GLU 8 HG2 GLU 8 5.975 11.894 7.171
42 HG3 GLU 8 HG3 GLU 8 7.137 10.674 6.654
43 H GLN 9 H GLN 9 8.272 15.582 5.677
44 HA GLN 9 HA GLN 9 11.175 15.636 5.719
45 HB2 GLN 9 HB2 GLN 9 9.587 16.879 3.467
46 HB3 GLN 9 HB3 GLN 9 11.304 17.133 3.751
47 HG2 GLN 9 HG2 GLN 9 10.017 14.481 3.140
48 HG3 GLN 9 HG3 GLN 9 10.869 15.498 1.979
49 HE21 GLN 9 HE21 GLN 9 11.458 12.784 2.796
50 HE22 GLN 9 HE22 GLN 9 13.062 12.803 3.439
51 H ARG 10 H ARG 10 11.691 17.059 7.230
52 HA ARG 10 HA ARG 10 10.003 19.455 7.542
53 HB2 ARG 10 HB2 ARG 10 11.587 18.134 9.746
54 HB3 ARG 10 HB3 ARG 10 10.393 19.416 9.903
55 HG2 ARG 10 HG2 ARG 10 9.865 16.563 9.101
56 HG3 ARG 10 HG3 ARG 10 9.459 17.322 10.641
57 HD2 ARG 10 HD2 ARG 10 8.125 18.996 9.185
58 HD3 ARG 10 HD3 ARG 10 8.243 17.754 7.939
59 HE ARG 10 HE ARG 10 6.683 16.528 9.074
60 HH11 ARG 10 HH11 ARG 10 7.990 18.948 11.208
61 HH12 ARG 10 HH12 ARG 10 6.865 18.618 12.484
62 HH21 ARG 10 HH21 ARG 10 5.195 16.085 10.745
63 HH22 ARG 10 HH22 ARG 10 5.276 16.989 12.220
64 H HIS 11 H HIS 11 11.489 20.968 9.192
65 HA HIS 11 HA HIS 11 13.169 22.503 9.200
66 HB2 HIS 11 HB2 HIS 11 14.704 20.054 8.328
67 HB3 HIS 11 HB3 HIS 11 15.479 21.592 8.695
68 HD1 HIS 11 HD1 HIS 11 16.674 21.039 10.820
69 HD2 HIS 11 HD2 HIS 11 12.682 19.891 10.903
70 HE1 HIS 11 HE1 HIS 11 16.238 20.296 13.182
71 H ALA 12 H ALA 12 11.641 22.998 7.148
72 HA ALA 12 HA ALA 12 13.458 24.010 5.155
73 HB1 ALA 12 HB1 ALA 12 13.047 22.642 3.438
74 HB2 ALA 12 HB2 ALA 12 12.423 21.517 4.644
75 HB3 ALA 12 HB3 ALA 12 11.318 22.588 3.782
76 H HIS 13 H HIS 13 12.793 26.069 5.355
77 HA HIS 13 HA HIS 13 9.928 26.616 4.933
78 HB2 HIS 13 HB2 HIS 13 11.795 28.379 6.519
79 HB3 HIS 13 HB3 HIS 13 10.039 28.478 6.421
80 HD1 HIS 13 HD1 HIS 13 8.694 27.032 8.008
81 HD2 HIS 13 HD2 HIS 13 12.771 26.246 8.144
82 HE1 HIS 13 HE1 HIS 13 9.023 25.533 10.000
83 H GLN 14 H GLN 14 9.767 27.268 2.879
84 HA GLN 14 HA GLN 14 11.800 29.103 1.815
85 HB2 GLN 14 HB2 GLN 14 10.035 27.046 0.607
86 HB3 GLN 14 HB3 GLN 14 10.358 28.478 -0.362
87 HG2 GLN 14 HG2 GLN 14 12.600 28.011 -0.555
88 HG3 GLN 14 HG3 GLN 14 12.631 27.030 0.909
89 HE21 GLN 14 HE21 GLN 14 13.559 26.473 -1.835
90 HE22 GLN 14 HE22 GLN 14 12.767 25.010 -2.301
91 H CYS 15 H CYS 15 10.934 30.753 0.234
92 HA CYS 15 HA CYS 15 9.000 32.365 1.570
93 HB2 CYS 15 HB2 CYS 15 10.986 33.198 0.228
94 HB3 CYS 15 HB3 CYS 15 10.073 32.790 -1.219
95 HG CYS 15 HG CYS 15 8.391 34.725 0.930
96 H VAL 16 H VAL 16 6.898 32.781 1.076
97 HA VAL 16 HA VAL 16 5.457 30.818 -0.392
98 HB VAL 16 HB VAL 16 3.471 32.062 0.151
99 HG11 VAL 16 HG11 VAL 16 3.523 31.756 2.417
100 HG12 VAL 16 HG12 VAL 16 4.987 30.884 1.961
101 HG13 VAL 16 HG13 VAL 16 5.099 32.526 2.597
102 HG21 VAL 16 HG21 VAL 16 3.756 34.274 1.401
103 HG22 VAL 16 HG22 VAL 16 5.389 34.298 0.736
104 HG23 VAL 16 HG23 VAL 16 3.997 34.293 -0.346
105 H SER 17 H SER 17 6.760 33.942 -1.161
106 HA SER 17 HA SER 17 5.166 34.336 -3.520
107 HB2 SER 17 HB2 SER 17 5.980 36.303 -2.417
108 HB3 SER 17 HB3 SER 17 7.642 35.717 -2.470
109 HG SER 17 HG SER 17 6.034 36.438 -4.697
110 H CYS 18 H CYS 18 8.669 33.821 -3.063
111 HA CYS 18 HA CYS 18 8.740 32.582 -5.731
112 HB2 CYS 18 HB2 CYS 18 10.152 34.554 -5.567
113 HB3 CYS 18 HB3 CYS 18 10.942 33.904 -4.136
114 HG CYS 18 HG CYS 18 11.889 33.630 -7.196
115 H GLY 19 H GLY 19 10.916 32.364 -2.926
116 HA2 GLY 19 HA2 GLY 19 10.417 30.006 -1.796
117 HA3 GLY 19 HA3 GLY 19 11.093 29.485 -3.332
118 H ILE 20 H ILE 20 12.060 32.298 -1.428
119 HA ILE 20 HA ILE 20 14.798 31.832 -1.687
120 HB ILE 20 HB ILE 20 13.373 33.373 0.486
121 HG12 ILE 20 HG12 ILE 20 14.484 35.204 -1.210
122 HG13 ILE 20 HG13 ILE 20 14.025 33.929 -2.333
123 HG21 ILE 20 HG21 ILE 20 15.638 34.616 0.467
124 HG22 ILE 20 HG22 ILE 20 15.517 33.078 1.321
125 HG23 ILE 20 HG23 ILE 20 16.257 33.143 -0.279
126 HD11 ILE 20 HD11 ILE 20 11.789 34.208 -1.945
127 HD12 ILE 20 HD12 ILE 20 12.039 34.866 -0.328
128 HD13 ILE 20 HD13 ILE 20 12.372 35.860 -1.746
129 H ASN 21 H ASN 21 16.343 30.905 -0.382
130 HA ASN 21 HA ASN 21 15.454 28.747 1.287
131 HB2 ASN 21 HB2 ASN 21 18.261 29.767 0.790
132 HB3 ASN 21 HB3 ASN 21 17.834 28.222 1.520
133 HD21 ASN 21 HD21 ASN 21 19.435 27.990 -0.506
134 HD22 ASN 21 HD22 ASN 21 18.625 27.474 -1.943
135 H ILE 22 H ILE 22 14.309 30.363 2.740
136 HA ILE 22 HA ILE 22 16.128 31.526 4.730
137 HB ILE 22 HB ILE 22 14.062 32.667 5.590
138 HG12 ILE 22 HG12 ILE 22 12.853 31.700 2.992
139 HG13 ILE 22 HG13 ILE 22 12.461 31.036 4.575
140 HG21 ILE 22 HG21 ILE 22 14.041 33.707 2.918
141 HG22 ILE 22 HG22 ILE 22 14.762 34.388 4.377
142 HG23 ILE 22 HG23 ILE 22 15.684 33.262 3.381
143 HD11 ILE 22 HD11 ILE 22 11.025 32.940 3.394
144 HD12 ILE 22 HD12 ILE 22 11.181 32.802 5.145
145 HD13 ILE 22 HD13 ILE 22 12.178 33.956 4.259
146 H ALA 23 H ALA 23 15.723 28.697 4.635
147 HA ALA 23 HA ALA 23 13.816 27.854 6.560
148 HB1 ALA 23 HB1 ALA 23 15.117 26.502 4.741
149 HB2 ALA 23 HB2 ALA 23 16.301 26.290 6.031
150 HB3 ALA 23 HB3 ALA 23 14.644 25.730 6.254
151 H GLY 24 H GLY 24 13.855 28.354 8.648
152 HA2 GLY 24 HA2 GLY 24 14.620 28.609 10.801
153 HA3 GLY 24 HA3 GLY 24 16.080 27.766 10.306
154 H MET 25 H MET 25 15.265 30.543 8.476
155 HA MET 25 HA MET 25 17.473 31.998 9.750
156 HB2 MET 25 HB2 MET 25 16.198 32.337 7.030
157 HB3 MET 25 HB3 MET 25 17.501 33.340 7.655
158 HG2 MET 25 HG2 MET 25 18.789 31.138 7.929
159 HG3 MET 25 HG3 MET 25 17.566 30.459 6.857
160 HE1 MET 25 HE1 MET 25 21.283 32.607 5.680
161 HE2 MET 25 HE2 MET 25 20.480 33.179 7.142
162 HE3 MET 25 HE3 MET 25 20.928 31.481 6.989
163 H SER 26 H SER 26 17.106 34.534 9.236
164 HA SER 26 HA SER 26 14.741 35.214 10.791
165 HB2 SER 26 HB2 SER 26 17.154 36.822 9.934
166 HB3 SER 26 HB3 SER 26 15.798 37.508 10.828
167 HG SER 26 HG SER 26 17.550 35.441 11.662
168 H ALA 27 H ALA 27 12.936 35.988 9.931
169 HA ALA 27 HA ALA 27 12.847 37.810 7.772
170 HB1 ALA 27 HB1 ALA 27 12.477 36.566 5.943
171 HB2 ALA 27 HB2 ALA 27 13.255 35.277 6.861
172 HB3 ALA 27 HB3 ALA 27 11.495 35.392 6.818
173 H ALA 28 H ALA 28 10.428 37.786 6.846
174 HA ALA 28 HA ALA 28 8.772 38.333 9.095
175 HB1 ALA 28 HB1 ALA 28 7.277 38.125 6.647
176 HB2 ALA 28 HB2 ALA 28 7.648 39.551 7.617
177 HB3 ALA 28 HB3 ALA 28 8.782 39.006 6.381
178 H THR 29 H THR 29 7.933 36.766 10.306
179 HA THR 29 HA THR 29 6.738 34.440 8.943
180 HB THR 29 HB THR 29 7.782 34.338 11.765
181 HG1 THR 29 HG1 THR 29 9.203 33.553 9.422
182 HG21 THR 29 HG21 THR 29 7.548 32.090 9.787
183 HG22 THR 29 HG22 THR 29 7.618 32.013 11.547
184 HG23 THR 29 HG23 THR 29 6.165 32.613 10.748
185 H PHE 30 H PHE 30 4.728 33.770 9.593
186 HA PHE 30 HA PHE 30 3.458 34.914 11.921
187 HB2 PHE 30 HB2 PHE 30 1.503 35.745 10.490
188 HB3 PHE 30 HB3 PHE 30 2.961 36.731 10.500
189 HD1 PHE 30 HD1 PHE 30 4.461 36.744 8.550
190 HD2 PHE 30 HD2 PHE 30 0.742 34.673 8.508
191 HE1 PHE 30 HE1 PHE 30 4.554 36.634 6.094
192 HE2 PHE 30 HE2 PHE 30 0.830 34.559 6.052
193 HZ PHE 30 HZ PHE 30 2.738 35.539 4.842
194 H LYS 31 H LYS 31 1.001 34.219 11.849
195 HA LYS 31 HA LYS 31 0.972 31.392 11.025
196 HB2 LYS 31 HB2 LYS 31 0.854 31.613 13.423
197 HB3 LYS 31 HB3 LYS 31 -0.444 32.794 13.296
198 HG2 LYS 31 HG2 LYS 31 -1.880 31.032 12.304
199 HG3 LYS 31 HG3 LYS 31 -0.587 29.868 12.604
200 HD2 LYS 31 HD2 LYS 31 -1.747 31.570 14.794
201 HD3 LYS 31 HD3 LYS 31 -2.451 30.016 14.340
202 HE2 LYS 31 HE2 LYS 31 0.473 30.151 14.880
203 HE3 LYS 31 HE3 LYS 31 -0.636 30.211 16.249
204 HZ1 LYS 31 HZ1 LYS 31 0.201 27.971 14.800
205 HZ2 LYS 31 HZ2 LYS 31 -0.864 28.028 16.113
206 HZ3 LYS 31 HZ3 LYS 31 -1.460 28.157 14.534
207 H CYS 32 H CYS 32 -0.419 30.811 9.497
208 HA CYS 32 HA CYS 32 -2.151 32.662 8.250
209 HB2 CYS 32 HB2 CYS 32 -1.075 30.627 7.189
210 HB3 CYS 32 HB3 CYS 32 -2.297 29.656 8.002
211 HG CYS 32 HG CYS 32 -4.011 29.852 6.115
212 HA PRO 33 HA PRO 33 -5.593 32.350 11.034
213 HB2 PRO 33 HB2 PRO 33 -7.320 33.829 9.550
214 HB3 PRO 33 HB3 PRO 33 -6.014 34.545 10.502
215 HG2 PRO 33 HG2 PRO 33 -6.115 33.952 7.569
216 HG3 PRO 33 HG3 PRO 33 -5.494 35.391 8.399
217 HD2 PRO 33 HD2 PRO 33 -3.873 33.429 7.473
218 HD3 PRO 33 HD3 PRO 33 -3.492 34.377 8.925
219 H ASP 34 H ASP 34 -5.306 30.996 7.958
220 HA ASP 34 HA ASP 34 -8.018 29.949 7.857
221 HB2 ASP 34 HB2 ASP 34 -6.443 30.681 5.856
222 HB3 ASP 34 HB3 ASP 34 -5.876 29.019 5.996
223 H CYS 35 H CYS 35 -4.722 28.587 7.924
224 HA CYS 35 HA CYS 35 -5.854 26.108 9.027
225 HB2 CYS 35 HB2 CYS 35 -3.565 25.163 8.398
226 HB3 CYS 35 HB3 CYS 35 -4.637 25.592 7.070
227 HG CYS 35 HG CYS 35 -1.895 26.244 6.545
228 H GLY 36 H GLY 36 -3.190 28.418 9.447
229 HA2 GLY 36 HA2 GLY 36 -2.625 29.217 11.649
230 HA3 GLY 36 HA3 GLY 36 -3.119 27.658 12.293
231 H GLN 37 H GLN 37 -1.288 27.532 9.411
232 HA GLN 37 HA GLN 37 0.905 26.289 10.827
233 HB2 GLN 37 HB2 GLN 37 1.639 25.505 8.743
234 HB3 GLN 37 HB3 GLN 37 -0.115 25.494 8.612
235 HG2 GLN 37 HG2 GLN 37 0.144 26.617 6.719
236 HG3 GLN 37 HG3 GLN 37 0.581 28.005 7.713
237 HE21 GLN 37 HE21 GLN 37 2.073 25.054 6.420
238 HE22 GLN 37 HE22 GLN 37 3.556 25.805 5.952
239 H GLU 38 H GLU 38 3.086 26.938 10.708
240 HA GLU 38 HA GLU 38 3.468 29.764 10.843
241 HB2 GLU 38 HB2 GLU 38 4.698 28.023 12.209
242 HB3 GLU 38 HB3 GLU 38 5.621 27.651 10.759
243 HG2 GLU 38 HG2 GLU 38 6.651 29.754 10.739
244 HG3 GLU 38 HG3 GLU 38 5.485 30.429 11.876
245 H ILE 39 H ILE 39 3.589 31.018 9.108
246 HA ILE 39 HA ILE 39 4.629 29.937 6.600
247 HB ILE 39 HB ILE 39 3.367 32.637 7.075
248 HG12 ILE 39 HG12 ILE 39 2.104 30.056 6.124
249 HG13 ILE 39 HG13 ILE 39 1.789 30.859 7.658
250 HG21 ILE 39 HG21 ILE 39 3.595 31.117 4.492
251 HG22 ILE 39 HG22 ILE 39 3.187 32.816 4.733
252 HG23 ILE 39 HG23 ILE 39 4.830 32.252 5.038
253 HD11 ILE 39 HD11 ILE 39 0.457 31.205 5.216
254 HD12 ILE 39 HD12 ILE 39 0.208 32.083 6.725
255 HD13 ILE 39 HD13 ILE 39 1.343 32.698 5.524
256 H SER 40 H SER 40 6.500 30.565 5.684
257 HA SER 40 HA SER 40 8.060 32.636 7.085
258 HB2 SER 40 HB2 SER 40 8.912 30.047 5.803
259 HB3 SER 40 HB3 SER 40 10.062 31.355 6.079
260 HG SER 40 HG SER 40 9.577 31.242 8.289
261 H ARG 41 H ARG 41 8.404 34.416 5.949
262 HA ARG 41 HA ARG 41 8.673 34.207 3.028
263 HB2 ARG 41 HB2 ARG 41 7.123 36.340 4.509
264 HB3 ARG 41 HB3 ARG 41 7.412 36.303 2.775
265 HG2 ARG 41 HG2 ARG 41 6.128 34.242 2.592
266 HG3 ARG 41 HG3 ARG 41 5.857 34.251 4.335
267 HD2 ARG 41 HD2 ARG 41 3.910 35.126 3.205
268 HD3 ARG 41 HD3 ARG 41 4.697 36.414 4.115
269 HE ARG 41 HE ARG 41 5.617 36.358 1.432
270 HH11 ARG 41 HH11 ARG 41 2.906 37.299 3.403
271 HH12 ARG 41 HH12 ARG 41 2.382 38.544 2.318
272 HH21 ARG 41 HH21 ARG 41 4.938 37.994 -0.004
273 HH22 ARG 41 HH22 ARG 41 3.539 38.938 0.379
274 H CYS 42 H CYS 42 10.451 35.148 2.263
275 HA CYS 42 HA CYS 42 12.367 36.324 3.952
276 HB2 CYS 42 HB2 CYS 42 12.598 35.187 1.596
277 HB3 CYS 42 HB3 CYS 42 12.377 36.827 0.999
278 HG CYS 42 HG CYS 42 14.623 36.962 3.352
279 H SER 43 H SER 43 13.324 38.508 3.639
280 HA SER 43 HA SER 43 11.562 40.523 4.277
281 HB2 SER 43 HB2 SER 43 14.147 41.029 2.802
282 HB3 SER 43 HB3 SER 43 13.363 42.056 4.002
283 HG SER 43 HG SER 43 14.939 39.798 4.345
284 H LYS 44 H LYS 44 12.632 39.469 1.106
285 HA LYS 44 HA LYS 44 11.815 41.578 -0.479
286 HB2 LYS 44 HB2 LYS 44 11.660 38.615 -1.063
287 HB3 LYS 44 HB3 LYS 44 11.491 39.880 -2.274
288 HG2 LYS 44 HG2 LYS 44 13.935 39.626 -0.550
289 HG3 LYS 44 HG3 LYS 44 13.757 38.767 -2.082
290 HD2 LYS 44 HD2 LYS 44 13.820 40.709 -3.330
291 HD3 LYS 44 HD3 LYS 44 13.279 41.714 -1.983
292 HE2 LYS 44 HE2 LYS 44 15.916 40.318 -1.828
293 HE3 LYS 44 HE3 LYS 44 15.767 41.798 -2.774
294 HZ1 LYS 44 HZ1 LYS 44 14.948 41.583 0.069
295 HZ2 LYS 44 HZ2 LYS 44 16.471 42.129 -0.426
296 HZ3 LYS 44 HZ3 LYS 44 15.081 42.992 -0.858
297 H CYS 45 H CYS 45 9.893 39.183 1.163
298 HA CYS 45 HA CYS 45 7.505 39.314 -0.225
299 HB2 CYS 45 HB2 CYS 45 6.481 38.383 1.661
300 HB3 CYS 45 HB3 CYS 45 8.159 37.877 1.821
301 HG CYS 45 HG CYS 45 6.772 40.525 3.490
302 H ARG 46 H ARG 46 9.007 41.695 1.777
303 HA ARG 46 HA ARG 46 6.923 43.243 2.663
304 HB2 ARG 46 HB2 ARG 46 9.649 43.998 1.636
305 HB3 ARG 46 HB3 ARG 46 8.528 45.212 2.237
306 HG2 ARG 46 HG2 ARG 46 8.505 44.210 4.409
307 HG3 ARG 46 HG3 ARG 46 9.446 42.832 3.833
308 HD2 ARG 46 HD2 ARG 46 10.897 44.334 5.029
309 HD3 ARG 46 HD3 ARG 46 11.308 44.377 3.315
310 HE ARG 46 HE ARG 46 10.767 46.590 3.300
311 HH11 ARG 46 HH11 ARG 46 9.248 45.095 6.052
312 HH12 ARG 46 HH12 ARG 46 8.646 46.586 6.695
313 HH21 ARG 46 HH21 ARG 46 9.980 48.561 4.136
314 HH22 ARG 46 HH22 ARG 46 9.062 48.558 5.604
315 H LYS 47 H LYS 47 8.205 42.987 -0.591
316 HA LYS 47 HA LYS 47 6.596 45.164 -1.597
317 HB2 LYS 47 HB2 LYS 47 8.394 43.133 -2.915
318 HB3 LYS 47 HB3 LYS 47 7.443 44.289 -3.839
319 HG2 LYS 47 HG2 LYS 47 8.592 46.069 -2.371
320 HG3 LYS 47 HG3 LYS 47 9.747 44.788 -2.000
321 HD2 LYS 47 HD2 LYS 47 9.018 45.519 -4.824
322 HD3 LYS 47 HD3 LYS 47 10.311 46.339 -3.946
323 HE2 LYS 47 HE2 LYS 47 10.221 43.348 -4.182
324 HE3 LYS 47 HE3 LYS 47 10.933 44.349 -5.446
325 HZ1 LYS 47 HZ1 LYS 47 11.855 43.902 -2.693
326 HZ2 LYS 47 HZ2 LYS 47 12.739 43.897 -4.135
327 HZ3 LYS 47 HZ3 LYS 47 12.233 45.363 -3.458
328 H GLN 48 H GLN 48 6.464 41.657 -1.509
329 HA GLN 48 HA GLN 48 4.173 41.509 -3.254
330 HB2 GLN 48 HB2 GLN 48 5.621 39.468 -1.572
331 HB3 GLN 48 HB3 GLN 48 4.176 39.081 -2.496
332 HG2 GLN 48 HG2 GLN 48 5.834 38.439 -3.939
333 HG3 GLN 48 HG3 GLN 48 5.504 40.080 -4.491
334 HE21 GLN 48 HE21 GLN 48 7.149 41.444 -4.630
335 HE22 GLN 48 HE22 GLN 48 8.720 41.199 -3.955
336 H SER 49 H SER 49 4.512 42.579 -0.197
337 HA SER 49 HA SER 49 2.588 41.299 1.338
338 HB2 SER 49 HB2 SER 49 4.214 43.140 2.044
339 HB3 SER 49 HB3 SER 49 3.035 44.283 1.404
340 HG SER 49 HG SER 49 3.025 42.962 3.754
341 H ASN 50 H ASN 50 2.219 43.672 -1.210
342 HA ASN 50 HA ASN 50 -0.367 44.545 -0.796
343 HB2 ASN 50 HB2 ASN 50 1.399 45.102 -2.670
344 HB3 ASN 50 HB3 ASN 50 0.513 43.881 -3.578
345 HD21 ASN 50 HD21 ASN 50 -0.270 46.596 -1.425
346 HD22 ASN 50 HD22 ASN 50 -1.479 47.279 -2.452
347 H LEU 51 H LEU 51 0.759 41.492 -2.100
348 HA LEU 51 HA LEU 51 -1.866 40.343 -1.718
349 HB2 LEU 51 HB2 LEU 51 -1.611 41.369 -4.110
350 HB3 LEU 51 HB3 LEU 51 -0.650 39.923 -4.413
351 HG LEU 51 HG LEU 51 -2.963 39.671 -5.177
352 HD11 LEU 51 HD11 LEU 51 -1.660 37.724 -4.387
353 HD12 LEU 51 HD12 LEU 51 -2.374 37.930 -2.788
354 HD13 LEU 51 HD13 LEU 51 -3.399 37.530 -4.166
355 HD21 LEU 51 HD21 LEU 51 -4.639 40.507 -3.989
356 HD22 LEU 51 HD22 LEU 51 -4.329 39.308 -2.734
357 HD23 LEU 51 HD23 LEU 51 -3.543 40.885 -2.660
358 H TYR 52 H TYR 52 -1.458 38.551 -0.623
359 HA TYR 52 HA TYR 52 0.849 36.904 -1.428
360 HB2 TYR 52 HB2 TYR 52 1.380 36.424 0.819
361 HB3 TYR 52 HB3 TYR 52 1.085 38.159 0.789
362 HD1 TYR 52 HD1 TYR 52 -1.438 38.831 1.305
363 HD2 TYR 52 HD2 TYR 52 0.406 35.190 2.507
364 HE1 TYR 52 HE1 TYR 52 -3.110 38.581 3.092
365 HE2 TYR 52 HE2 TYR 52 -1.261 34.929 4.297
366 HH TYR 52 HH TYR 52 -3.292 37.419 5.293
367 H GLU 53 H GLU 53 0.603 34.611 -0.428
368 HA GLU 53 HA GLU 53 -2.105 33.664 -0.159
369 HB2 GLU 53 HB2 GLU 53 -2.084 33.740 -2.541
370 HB3 GLU 53 HB3 GLU 53 -0.475 33.036 -2.616
371 HG2 GLU 53 HG2 GLU 53 -1.376 30.931 -1.721
372 HG3 GLU 53 HG3 GLU 53 -2.989 31.643 -1.724
373 H CYS 54 H CYS 54 -2.111 32.009 1.214
374 HA CYS 54 HA CYS 54 0.294 30.959 2.276
375 HB2 CYS 54 HB2 CYS 54 -1.825 31.162 3.558
376 HB3 CYS 54 HB3 CYS 54 -2.516 29.878 2.573
377 HG CYS 54 HG CYS 54 0.345 28.905 3.915
378 HA PRO 55 HA PRO 55 0.901 27.934 -0.970
379 HB2 PRO 55 HB2 PRO 55 3.293 27.053 -0.036
380 HB3 PRO 55 HB3 PRO 55 3.113 28.557 -0.945
381 HG2 PRO 55 HG2 PRO 55 3.331 28.147 2.012
382 HG3 PRO 55 HG3 PRO 55 4.108 29.372 0.992
383 HD2 PRO 55 HD2 PRO 55 1.909 29.898 2.483
384 HD3 PRO 55 HD3 PRO 55 2.222 30.695 0.928
385 H ASP 56 H ASP 56 0.486 27.501 2.388
386 HA ASP 56 HA ASP 56 0.796 24.635 2.394
387 HB2 ASP 56 HB2 ASP 56 1.177 26.180 4.387
388 HB3 ASP 56 HB3 ASP 56 -0.576 26.295 4.506
389 H CYS 57 H CYS 57 -1.986 26.811 2.910
390 HA CYS 57 HA CYS 57 -3.756 24.612 2.094
391 HB2 CYS 57 HB2 CYS 57 -5.555 25.886 3.194
392 HB3 CYS 57 HB3 CYS 57 -4.235 25.536 4.303
393 HG CYS 57 HG CYS 57 -4.414 27.969 5.159
394 H GLY 58 H GLY 58 -2.180 26.591 0.392
395 HA2 GLY 58 HA2 GLY 58 -2.515 27.954 -1.442
396 HA3 GLY 58 HA3 GLY 58 -3.771 26.778 -1.801
397 H PHE 59 H PHE 59 -3.603 29.172 0.812
398 HA PHE 59 HA PHE 59 -6.230 30.153 -0.011
399 HB2 PHE 59 HB2 PHE 59 -6.105 29.575 2.309
400 HB3 PHE 59 HB3 PHE 59 -4.626 30.505 2.523
401 HD1 PHE 59 HD1 PHE 59 -8.036 31.173 1.150
402 HD2 PHE 59 HD2 PHE 59 -4.909 32.401 3.763
403 HE1 PHE 59 HE1 PHE 59 -9.368 33.129 1.819
404 HE2 PHE 59 HE2 PHE 59 -6.237 34.360 4.438
405 HZ PHE 59 HZ PHE 59 -8.469 34.727 3.464
406 H MET 60 H MET 60 -6.278 31.828 -1.348
407 HA MET 60 HA MET 60 -4.029 33.632 -1.568
408 HB2 MET 60 HB2 MET 60 -6.611 33.284 -3.058
409 HB3 MET 60 HB3 MET 60 -5.642 34.734 -3.284
410 HG2 MET 60 HG2 MET 60 -3.715 33.238 -3.858
411 HG3 MET 60 HG3 MET 60 -4.853 31.892 -3.852
412 HE1 MET 60 HE1 MET 60 -7.568 33.479 -5.662
413 HE2 MET 60 HE2 MET 60 -7.021 32.193 -6.737
414 HE3 MET 60 HE3 MET 60 -6.994 31.953 -4.990
415 H GLY 61 H GLY 61 -3.854 35.597 -0.678
416 HA2 GLY 61 HA2 GLY 61 -6.275 36.925 0.323
417 HA3 GLY 61 HA3 GLY 61 -4.952 36.628 1.441
418 HA PRO 62 HA PRO 62 -4.469 40.749 -0.822
419 HB2 PRO 62 HB2 PRO 62 -4.796 42.357 1.341
420 HB3 PRO 62 HB3 PRO 62 -6.140 41.843 0.314
421 HG2 PRO 62 HG2 PRO 62 -5.245 40.747 2.952
422 HG3 PRO 62 HG3 PRO 62 -6.890 41.076 2.377
423 HD2 PRO 62 HD2 PRO 62 -5.820 38.588 2.388
424 HD3 PRO 62 HD3 PRO 62 -6.992 39.118 1.164