NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
628949 |
5w8z   |
30310 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 MET 1 HT1 MET 1 -5.965 -3.281 13.051
2 H2 MET 1 HT2 MET 1 -4.394 -3.905 13.055
3 H3 MET 1 HT3 MET 1 -5.709 -4.938 13.280
4 HA MET 1 HA MET 1 -6.490 -4.531 11.060
5 HB2 MET 1 HB2 MET 1 -3.959 -2.857 10.754
6 HB3 MET 1 HB1 MET 1 -5.091 -3.251 9.463
7 HG2 MET 1 HG2 MET 1 -5.527 -1.009 10.131
8 HG3 MET 1 HG1 MET 1 -6.859 -1.994 10.737
9 HE1 MET 1 HE1 MET 1 -3.421 -0.445 13.436
10 HE2 MET 1 HE2 MET 1 -3.511 -0.095 11.712
11 HE3 MET 1 HE3 MET 1 -3.209 -1.745 12.261
12 H LYS 2 HN LYS 2 -5.339 -5.515 9.053
13 HA LYS 2 HA LYS 2 -3.416 -7.581 9.953
14 HB2 LYS 2 HB2 LYS 2 -5.419 -7.748 7.645
15 HB3 LYS 2 HB1 LYS 2 -4.338 -9.031 8.189
16 HG2 LYS 2 HG2 LYS 2 -5.569 -8.860 10.464
17 HG3 LYS 2 HG1 LYS 2 -6.769 -7.901 9.597
18 HD2 LYS 2 HD2 LYS 2 -7.554 -10.180 9.656
19 HD3 LYS 2 HD1 LYS 2 -7.067 -9.826 7.997
20 HE2 LYS 2 HE2 LYS 2 -4.879 -10.964 8.445
21 HE3 LYS 2 HE1 LYS 2 -5.463 -11.390 10.055
22 HZ1 LYS 2 HZ1 LYS 2 -6.568 -12.291 7.455
23 HZ2 LYS 2 HZ2 LYS 2 -7.311 -12.581 8.945
24 HZ3 LYS 2 HZ3 LYS 2 -5.785 -13.234 8.621
25 H LYS 3 HN LYS 3 -1.426 -7.312 9.168
26 HA LYS 3 HA LYS 3 -0.795 -5.466 7.027
27 HB2 LYS 3 HB2 LYS 3 1.050 -7.382 8.513
28 HB3 LYS 3 HB1 LYS 3 1.542 -5.989 7.553
29 HG2 LYS 3 HG2 LYS 3 0.649 -4.454 9.186
30 HG3 LYS 3 HG1 LYS 3 -0.122 -5.766 10.081
31 HD2 LYS 3 HD2 LYS 3 2.888 -5.383 9.756
32 HD3 LYS 3 HD1 LYS 3 1.953 -4.979 11.199
33 HE2 LYS 3 HE2 LYS 3 1.365 -7.346 11.510
34 HE3 LYS 3 HE1 LYS 3 2.218 -7.775 10.027
35 HZ1 LYS 3 HZ1 LYS 3 4.280 -7.064 11.044
36 HZ2 LYS 3 HZ2 LYS 3 3.530 -8.238 12.000
37 HZ3 LYS 3 HZ3 LYS 3 3.462 -6.616 12.451
38 H ILE 4 HN ILE 4 -1.131 -6.142 4.974
39 HA ILE 4 HA ILE 4 -0.374 -8.883 4.149
40 HB ILE 4 HB ILE 4 -1.856 -6.778 2.521
41 HG12 ILE 4 HG12 ILE 4 -2.975 -9.071 4.198
42 HG13 ILE 4 HG11 ILE 4 -3.310 -7.351 4.384
43 HG21 ILE 4 HG21 ILE 4 -0.698 -8.476 1.142
44 HG22 ILE 4 HG22 ILE 4 -2.449 -8.591 0.986
45 HG23 ILE 4 HG23 ILE 4 -1.574 -9.759 1.986
46 HD11 ILE 4 HD11 ILE 4 -4.146 -9.115 2.107
47 HD12 ILE 4 HD12 ILE 4 -4.429 -7.374 2.190
48 HD13 ILE 4 HD13 ILE 4 -5.173 -8.451 3.373
49 HA PRO 5 HA PRO 5 3.251 -6.991 2.104
50 HB2 PRO 5 HB2 PRO 5 3.359 -9.496 0.482
51 HB3 PRO 5 HB1 PRO 5 4.551 -8.857 1.633
52 HG2 PRO 5 HG2 PRO 5 3.113 -11.041 2.212
53 HG3 PRO 5 HG1 PRO 5 3.518 -9.847 3.473
54 HD2 PRO 5 HD2 PRO 5 0.934 -10.111 1.903
55 HD3 PRO 5 HD1 PRO 5 1.151 -9.947 3.660
56 H LEU 6 HN LEU 6 3.552 -5.877 0.153
57 HA LEU 6 HA LEU 6 1.322 -4.873 -1.090
58 HB2 LEU 6 HB2 LEU 6 3.456 -3.692 -1.045
59 HB3 LEU 6 HB1 LEU 6 4.188 -4.899 -2.086
60 HG LEU 6 HG LEU 6 2.657 -4.178 -3.944
61 HD11 LEU 6 HD11 LEU 6 0.814 -3.249 -2.640
62 HD12 LEU 6 HD12 LEU 6 1.433 -2.063 -3.784
63 HD13 LEU 6 HD13 LEU 6 1.848 -1.932 -2.072
64 HD21 LEU 6 HD21 LEU 6 4.957 -3.295 -3.790
65 HD22 LEU 6 HD22 LEU 6 4.369 -1.932 -2.834
66 HD23 LEU 6 HD23 LEU 6 3.848 -2.129 -4.509
67 H SER 7 HN SER 7 3.687 -7.067 -2.614
68 HA SER 7 HA SER 7 2.399 -7.318 -5.087
69 HB2 SER 7 HB2 SER 7 4.314 -9.269 -3.755
70 HB3 SER 7 HB1 SER 7 3.953 -9.186 -5.484
71 HG SER 7 HG SER 7 4.986 -7.258 -5.612
72 H LYS 8 HN LYS 8 2.065 -9.195 -2.102
73 HA LYS 8 HA LYS 8 0.586 -11.358 -3.264
74 HB2 LYS 8 HB2 LYS 8 1.949 -11.366 -1.052
75 HB3 LYS 8 HB1 LYS 8 0.534 -10.627 -0.307
76 HG2 LYS 8 HG2 LYS 8 0.538 -13.058 0.041
77 HG3 LYS 8 HG1 LYS 8 -0.840 -12.575 -0.959
78 HD2 LYS 8 HD2 LYS 8 0.507 -13.195 -3.000
79 HD3 LYS 8 HD1 LYS 8 1.768 -13.807 -1.930
80 HE2 LYS 8 HE2 LYS 8 0.253 -15.518 -1.076
81 HE3 LYS 8 HE1 LYS 8 -1.082 -14.857 -2.028
82 HZ1 LYS 8 HZ1 LYS 8 -0.103 -16.756 -3.120
83 HZ2 LYS 8 HZ2 LYS 8 1.416 -16.025 -3.118
84 HZ3 LYS 8 HZ3 LYS 8 0.167 -15.365 -4.041
85 H TYR 9 HN TYR 9 -0.264 -8.375 -1.616
86 HA TYR 9 HA TYR 9 -3.066 -8.641 -1.482
87 HB2 TYR 9 HB2 TYR 9 -1.853 -6.887 -0.245
88 HB3 TYR 9 HB1 TYR 9 -1.324 -6.143 -1.742
89 HD1 TYR 9 HD1 TYR 9 -4.192 -6.611 0.560
90 HD2 TYR 9 HD2 TYR 9 -2.888 -4.777 -3.096
91 HE1 TYR 9 HE1 TYR 9 -6.207 -5.245 0.510
92 HE2 TYR 9 HE2 TYR 9 -4.922 -3.402 -3.122
93 HH TYR 9 HH TYR 9 -7.179 -3.479 -2.245
94 H LEU 10 HN LEU 10 -0.888 -7.474 -4.006
95 HA LEU 10 HA LEU 10 -2.886 -6.528 -5.814
96 HB2 LEU 10 HB2 LEU 10 0.033 -7.224 -6.294
97 HB3 LEU 10 HB1 LEU 10 -0.996 -6.350 -7.421
98 HG LEU 10 HG LEU 10 -0.162 -5.359 -4.661
99 HD11 LEU 10 HD11 LEU 10 1.711 -5.340 -6.221
100 HD12 LEU 10 HD12 LEU 10 1.197 -3.698 -5.843
101 HD13 LEU 10 HD13 LEU 10 0.756 -4.425 -7.392
102 HD21 LEU 10 HD21 LEU 10 -1.790 -3.919 -6.779
103 HD22 LEU 10 HD22 LEU 10 -1.206 -3.216 -5.267
104 HD23 LEU 10 HD23 LEU 10 -2.391 -4.518 -5.229
105 H GLU 11 HN GLU 11 -1.588 -9.660 -5.150
106 HA GLU 11 HA GLU 11 -2.377 -10.937 -7.623
107 HB2 GLU 11 HB2 GLU 11 -1.595 -12.077 -4.903
108 HB3 GLU 11 HB1 GLU 11 -1.963 -13.069 -6.310
109 HG2 GLU 11 HG2 GLU 11 -0.057 -12.153 -7.518
110 HG3 GLU 11 HG1 GLU 11 0.267 -11.027 -6.201
111 H GLU 12 HN GLU 12 -3.704 -10.693 -4.318
112 HA GLU 12 HA GLU 12 -5.897 -12.538 -5.033
113 HB2 GLU 12 HB2 GLU 12 -4.789 -11.763 -2.307
114 HB3 GLU 12 HB1 GLU 12 -6.090 -12.922 -2.585
115 HG2 GLU 12 HG2 GLU 12 -4.487 -14.329 -3.908
116 HG3 GLU 12 HG1 GLU 12 -3.206 -13.193 -3.486
117 H HIS 13 HN HIS 13 -5.402 -9.415 -3.346
118 HA HIS 13 HA HIS 13 -8.238 -9.360 -2.618
119 HB2 HIS 13 HB2 HIS 13 -5.852 -7.707 -1.730
120 HB3 HIS 13 HB1 HIS 13 -7.502 -7.307 -1.261
121 HD1 HIS 13 HD1 HIS 13 -8.239 -8.315 0.876
122 HD2 HIS 13 HD2 HIS 13 -5.139 -10.474 -0.862
123 HE1 HIS 13 HE1 HIS 13 -7.681 -10.140 2.512
124 HE2 HIS 13 HE2 HIS 13 -5.939 -11.533 1.364
125 H GLY 14 HN GLY 14 -5.909 -7.265 -4.378
126 HA2 GLY 14 HA2 GLY 14 -8.080 -6.105 -5.934
127 HA3 GLY 14 HA1 GLY 14 -7.288 -4.984 -4.826
128 H THR 15 HN THR 15 -7.200 -4.341 -7.432
129 HA THR 15 HA THR 15 -4.639 -5.203 -8.575
130 HB THR 15 HB THR 15 -5.255 -3.757 -10.507
131 HG1 THR 15 HG1 THR 15 -7.827 -3.245 -9.805
132 HG21 THR 15 HG21 THR 15 -7.539 -5.557 -9.647
133 HG22 THR 15 HG22 THR 15 -6.070 -6.084 -10.472
134 HG23 THR 15 HG23 THR 15 -7.212 -5.019 -11.296
135 H GLN 16 HN GLN 16 -3.494 -3.204 -9.653
136 HA GLN 16 HA GLN 16 -2.345 -1.692 -7.508
137 HB2 GLN 16 HB2 GLN 16 -1.795 -1.546 -10.510
138 HB3 GLN 16 HB1 GLN 16 -0.823 -0.777 -9.266
139 HG2 GLN 16 HG2 GLN 16 0.368 -2.719 -9.914
140 HG3 GLN 16 HG1 GLN 16 -0.343 -3.096 -8.349
141 HE21 GLN 16 HE21 GLN 16 -1.937 -4.725 -8.245
142 HE22 GLN 16 HE22 GLN 16 -2.265 -5.791 -9.561
143 H SER 17 HN SER 17 -4.523 -1.069 -10.183
144 HA SER 17 HA SER 17 -4.773 1.767 -9.904
145 HB2 SER 17 HB2 SER 17 -6.700 -0.252 -11.141
146 HB3 SER 17 HB1 SER 17 -6.715 1.493 -11.409
147 HG SER 17 HG SER 17 -4.282 0.770 -11.984
148 H ALA 18 HN ALA 18 -6.737 -1.024 -8.829
149 HA ALA 18 HA ALA 18 -8.783 0.299 -7.439
150 HB1 ALA 18 HB1 ALA 18 -8.791 -2.130 -7.961
151 HB2 ALA 18 HB2 ALA 18 -9.149 -1.811 -6.263
152 HB3 ALA 18 HB3 ALA 18 -7.544 -2.384 -6.731
153 H LEU 19 HN LEU 19 -5.555 -0.652 -6.469
154 HA LEU 19 HA LEU 19 -5.781 -0.174 -3.698
155 HB2 LEU 19 HB2 LEU 19 -3.990 -1.576 -4.631
156 HB3 LEU 19 HB1 LEU 19 -3.314 -0.197 -5.486
157 HG LEU 19 HG LEU 19 -2.741 0.865 -3.304
158 HD11 LEU 19 HD11 LEU 19 -4.463 -0.108 -1.862
159 HD12 LEU 19 HD12 LEU 19 -2.859 -0.399 -1.199
160 HD13 LEU 19 HD13 LEU 19 -3.722 -1.705 -2.012
161 HD21 LEU 19 HD21 LEU 19 -1.059 -0.470 -4.470
162 HD22 LEU 19 HD22 LEU 19 -1.610 -1.932 -3.648
163 HD23 LEU 19 HD23 LEU 19 -0.867 -0.623 -2.725
164 H ALA 20 HN ALA 20 -4.347 1.770 -6.338
165 HA ALA 20 HA ALA 20 -3.734 4.135 -4.955
166 HB1 ALA 20 HB1 ALA 20 -3.701 5.214 -7.167
167 HB2 ALA 20 HB2 ALA 20 -4.584 3.850 -7.866
168 HB3 ALA 20 HB3 ALA 20 -2.952 3.619 -7.244
169 H ALA 21 HN ALA 21 -6.788 3.012 -6.298
170 HA ALA 21 HA ALA 21 -8.262 5.455 -6.109
171 HB1 ALA 21 HB1 ALA 21 -10.233 4.026 -6.505
172 HB2 ALA 21 HB2 ALA 21 -9.247 2.585 -6.228
173 HB3 ALA 21 HB3 ALA 21 -8.920 3.624 -7.614
174 H ALA 22 HN ALA 22 -7.822 2.639 -3.990
175 HA ALA 22 HA ALA 22 -9.693 3.418 -1.963
176 HB1 ALA 22 HB1 ALA 22 -8.740 1.566 -0.660
177 HB2 ALA 22 HB2 ALA 22 -7.398 1.433 -1.803
178 HB3 ALA 22 HB3 ALA 22 -9.043 1.069 -2.328
179 H LEU 23 HN LEU 23 -6.237 3.884 -2.474
180 HA LEU 23 HA LEU 23 -5.690 5.015 0.127
181 HB2 LEU 23 HB2 LEU 23 -3.981 5.173 -2.391
182 HB3 LEU 23 HB1 LEU 23 -3.458 5.510 -0.748
183 HG LEU 23 HG LEU 23 -4.202 2.791 -1.881
184 HD11 LEU 23 HD11 LEU 23 -1.842 2.225 -1.536
185 HD12 LEU 23 HD12 LEU 23 -1.519 3.873 -0.992
186 HD13 LEU 23 HD13 LEU 23 -2.035 3.575 -2.654
187 HD21 LEU 23 HD21 LEU 23 -4.931 2.884 0.438
188 HD22 LEU 23 HD22 LEU 23 -3.335 3.454 0.943
189 HD23 LEU 23 HD23 LEU 23 -3.524 1.831 0.278
190 H GLY 24 HN GLY 24 -6.648 6.200 -3.028
191 HA2 GLY 24 HA2 GLY 24 -7.443 8.283 -3.685
192 HA3 GLY 24 HA1 GLY 24 -7.024 8.928 -2.102
193 H VAL 25 HN VAL 25 -4.733 7.144 -4.031
194 HA VAL 25 HA VAL 25 -3.081 9.572 -4.437
195 HB VAL 25 HB VAL 25 -1.097 8.192 -4.212
196 HG11 VAL 25 HG11 VAL 25 -3.037 7.491 -1.985
197 HG12 VAL 25 HG12 VAL 25 -2.081 8.974 -2.100
198 HG13 VAL 25 HG13 VAL 25 -1.276 7.419 -1.878
199 HG21 VAL 25 HG21 VAL 25 -1.856 6.123 -5.333
200 HG22 VAL 25 HG22 VAL 25 -2.918 5.751 -3.974
201 HG23 VAL 25 HG23 VAL 25 -1.167 5.743 -3.753
202 H ASN 26 HN ASN 26 -1.366 9.055 -6.224
203 HA ASN 26 HA ASN 26 -2.732 8.402 -8.706
204 HB2 ASN 26 HB2 ASN 26 0.103 9.358 -8.095
205 HB3 ASN 26 HB1 ASN 26 -0.502 9.070 -9.726
206 HD21 ASN 26 HD21 ASN 26 0.449 11.559 -8.444
207 HD22 ASN 26 HD22 ASN 26 -0.845 12.689 -8.613
208 H GLN 27 HN GLN 27 -1.988 6.807 -10.200
209 HA GLN 27 HA GLN 27 -1.085 4.309 -9.078
210 HB2 GLN 27 HB2 GLN 27 -1.506 5.132 -11.998
211 HB3 GLN 27 HB1 GLN 27 -1.180 3.489 -11.449
212 HG2 GLN 27 HG2 GLN 27 -3.303 3.535 -10.145
213 HG3 GLN 27 HG1 GLN 27 -3.638 5.141 -10.803
214 HE21 GLN 27 HE21 GLN 27 -5.549 4.392 -11.845
215 HE22 GLN 27 HE22 GLN 27 -5.488 3.383 -13.245
216 H SER 28 HN SER 28 0.469 7.039 -10.588
217 HA SER 28 HA SER 28 2.908 5.963 -11.460
218 HB2 SER 28 HB2 SER 28 3.841 8.263 -11.070
219 HB3 SER 28 HB1 SER 28 2.273 8.317 -11.881
220 HG SER 28 HG SER 28 2.283 9.809 -10.210
221 H ALA 29 HN ALA 29 1.884 7.078 -8.265
222 HA ALA 29 HA ALA 29 4.127 6.477 -6.677
223 HB1 ALA 29 HB1 ALA 29 2.139 7.732 -5.927
224 HB2 ALA 29 HB2 ALA 29 2.512 6.395 -4.844
225 HB3 ALA 29 HB3 ALA 29 1.172 6.258 -5.987
226 H ILE 30 HN ILE 30 1.266 4.369 -7.324
227 HA ILE 30 HA ILE 30 2.145 2.195 -5.773
228 HB ILE 30 HB ILE 30 0.285 2.020 -8.201
229 HG12 ILE 30 HG12 ILE 30 -0.526 3.772 -6.693
230 HG13 ILE 30 HG11 ILE 30 -1.576 2.369 -6.572
231 HG21 ILE 30 HG21 ILE 30 0.979 -0.200 -7.418
232 HG22 ILE 30 HG22 ILE 30 -0.715 0.077 -7.015
233 HG23 ILE 30 HG23 ILE 30 0.519 0.208 -5.760
234 HD11 ILE 30 HD11 ILE 30 0.539 3.186 -4.577
235 HD12 ILE 30 HD12 ILE 30 -0.495 1.760 -4.451
236 HD13 ILE 30 HD13 ILE 30 -1.206 3.372 -4.406
237 H SER 31 HN SER 31 2.551 2.803 -9.249
238 HA SER 31 HA SER 31 3.814 0.317 -9.909
239 HB2 SER 31 HB2 SER 31 3.808 2.992 -11.391
240 HB3 SER 31 HB1 SER 31 4.277 1.431 -12.083
241 HG SER 31 HG SER 31 1.789 2.476 -11.647
242 H GLN 32 HN GLN 32 5.013 3.452 -8.787
243 HA GLN 32 HA GLN 32 7.799 2.987 -9.249
244 HB2 GLN 32 HB2 GLN 32 6.826 5.247 -8.888
245 HB3 GLN 32 HB1 GLN 32 6.424 4.833 -7.232
246 HG2 GLN 32 HG2 GLN 32 9.291 4.792 -8.203
247 HG3 GLN 32 HG1 GLN 32 8.524 6.298 -7.710
248 HE21 GLN 32 HE21 GLN 32 10.804 4.788 -6.559
249 HE22 GLN 32 HE22 GLN 32 10.396 4.520 -4.902
250 H MET 33 HN MET 33 5.598 2.366 -6.583
251 HA MET 33 HA MET 33 7.428 1.495 -4.594
252 HB2 MET 33 HB2 MET 33 4.522 0.651 -4.878
253 HB3 MET 33 HB1 MET 33 5.474 0.736 -3.399
254 HG2 MET 33 HG2 MET 33 5.455 3.196 -3.494
255 HG3 MET 33 HG1 MET 33 4.722 3.127 -5.068
256 HE1 MET 33 HE1 MET 33 4.183 1.817 -1.414
257 HE2 MET 33 HE2 MET 33 3.642 0.506 -2.469
258 HE3 MET 33 HE3 MET 33 2.472 1.385 -1.485
259 H VAL 34 HN VAL 34 5.396 -0.225 -6.909
260 HA VAL 34 HA VAL 34 6.099 -2.891 -6.363
261 HB VAL 34 HB VAL 34 5.027 -1.525 -8.881
262 HG11 VAL 34 HG11 VAL 34 5.271 -4.528 -8.437
263 HG12 VAL 34 HG12 VAL 34 6.175 -3.566 -9.609
264 HG13 VAL 34 HG13 VAL 34 4.432 -3.737 -9.777
265 HG21 VAL 34 HG21 VAL 34 3.626 -3.266 -6.806
266 HG22 VAL 34 HG22 VAL 34 2.869 -2.540 -8.228
267 HG23 VAL 34 HG23 VAL 34 3.501 -1.511 -6.945
268 H ARG 35 HN ARG 35 7.341 -0.622 -8.849
269 HA ARG 35 HA ARG 35 9.306 -2.505 -9.818
270 HB2 ARG 35 HB2 ARG 35 8.788 0.401 -10.522
271 HB3 ARG 35 HB1 ARG 35 10.013 -0.596 -11.306
272 HG2 ARG 35 HG2 ARG 35 8.211 -2.175 -12.036
273 HG3 ARG 35 HG1 ARG 35 7.015 -1.084 -11.330
274 HD2 ARG 35 HD2 ARG 35 8.934 -0.370 -13.577
275 HD3 ARG 35 HD1 ARG 35 7.233 -0.790 -13.782
276 HE ARG 35 HE ARG 35 7.486 1.396 -11.988
277 HH11 ARG 35 HH11 ARG 35 7.743 0.686 -15.441
278 HH12 ARG 35 HH12 ARG 35 7.339 2.307 -15.916
279 HH21 ARG 35 HH21 ARG 35 6.914 3.910 -14.331
280 HH22 ARG 35 HH22 ARG 35 6.997 3.522 -12.643
281 H ALA 36 HN ALA 36 9.301 -0.283 -7.221
282 HA ALA 36 HA ALA 36 12.130 0.184 -7.025
283 HB1 ALA 36 HB1 ALA 36 10.516 1.539 -5.738
284 HB2 ALA 36 HB2 ALA 36 11.663 0.751 -4.654
285 HB3 ALA 36 HB3 ALA 36 10.023 0.114 -4.822
286 H GLY 37 HN GLY 37 10.004 -2.473 -6.355
287 HA2 GLY 37 HA2 GLY 37 10.396 -4.670 -5.809
288 HA3 GLY 37 HA1 GLY 37 12.119 -4.322 -5.785
289 H ARG 38 HN ARG 38 10.100 -2.305 -3.887
290 HA ARG 38 HA ARG 38 11.013 -3.556 -1.392
291 HB2 ARG 38 HB2 ARG 38 11.404 -1.132 -1.586
292 HB3 ARG 38 HB1 ARG 38 9.699 -0.845 -1.914
293 HG2 ARG 38 HG2 ARG 38 10.239 -0.255 0.406
294 HG3 ARG 38 HG1 ARG 38 9.109 -1.605 0.344
295 HD2 ARG 38 HD2 ARG 38 11.149 -3.142 0.654
296 HD3 ARG 38 HD1 ARG 38 12.056 -1.681 1.058
297 HE ARG 38 HE ARG 38 10.075 -1.427 2.772
298 HH11 ARG 38 HH11 ARG 38 11.853 -4.354 1.965
299 HH12 ARG 38 HH12 ARG 38 11.614 -5.077 3.523
300 HH21 ARG 38 HH21 ARG 38 9.726 -2.393 4.798
301 HH22 ARG 38 HH22 ARG 38 10.400 -3.956 5.140
302 H CYS 39 HN CYS 39 9.690 -5.050 -0.580
303 HA CYS 39 HA CYS 39 6.905 -5.312 -1.084
304 HB2 CYS 39 HB2 CYS 39 8.322 -7.215 -0.364
305 HB3 CYS 39 HB1 CYS 39 8.577 -6.446 1.201
306 HG CYS 39 HG CYS 39 6.252 -8.493 0.307
307 H ILE 40 HN ILE 40 5.408 -3.968 -0.373
308 HA ILE 40 HA ILE 40 5.851 -2.251 1.984
309 HB ILE 40 HB ILE 40 3.698 -2.062 -0.183
310 HG12 ILE 40 HG12 ILE 40 5.927 -1.772 -1.200
311 HG13 ILE 40 HG11 ILE 40 5.049 -0.255 -1.202
312 HG21 ILE 40 HG21 ILE 40 4.547 -0.034 1.910
313 HG22 ILE 40 HG22 ILE 40 3.032 -0.938 1.879
314 HG23 ILE 40 HG23 ILE 40 3.374 0.246 0.620
315 HD11 ILE 40 HD11 ILE 40 7.294 -1.039 0.633
316 HD12 ILE 40 HD12 ILE 40 6.364 0.456 0.768
317 HD13 ILE 40 HD13 ILE 40 7.335 0.146 -0.672
318 H ASP 41 HN ASP 41 4.484 -2.313 3.746
319 HA ASP 41 HA ASP 41 2.606 -4.510 3.978
320 HB2 ASP 41 HB2 ASP 41 2.393 -3.825 6.345
321 HB3 ASP 41 HB1 ASP 41 4.063 -4.095 5.881
322 H ILE 42 HN ILE 42 0.700 -4.241 3.069
323 HA ILE 42 HA ILE 42 -0.745 -1.738 2.966
324 HB ILE 42 HB ILE 42 -1.542 -4.560 2.093
325 HG12 ILE 42 HG12 ILE 42 0.380 -3.716 0.794
326 HG13 ILE 42 HG11 ILE 42 -1.057 -3.755 -0.219
327 HG21 ILE 42 HG21 ILE 42 -2.908 -1.903 1.501
328 HG22 ILE 42 HG22 ILE 42 -3.539 -3.200 2.519
329 HG23 ILE 42 HG23 ILE 42 -3.337 -3.460 0.788
330 HD11 ILE 42 HD11 ILE 42 -1.297 -1.303 0.080
331 HD12 ILE 42 HD12 ILE 42 0.235 -1.749 -0.665
332 HD13 ILE 42 HD13 ILE 42 0.186 -1.295 1.037
333 H GLU 43 HN GLU 43 -1.697 -1.061 4.742
334 HA GLU 43 HA GLU 43 -2.387 -2.686 6.990
335 HB2 GLU 43 HB2 GLU 43 -1.641 -0.184 6.917
336 HB3 GLU 43 HB1 GLU 43 -3.307 0.180 6.509
337 HG2 GLU 43 HG2 GLU 43 -3.146 0.542 8.826
338 HG3 GLU 43 HG1 GLU 43 -3.959 -1.013 8.658
339 H LEU 44 HN LEU 44 -3.981 -4.187 6.454
340 HA LEU 44 HA LEU 44 -6.390 -3.385 5.005
341 HB2 LEU 44 HB2 LEU 44 -5.343 -5.534 4.435
342 HB3 LEU 44 HB1 LEU 44 -5.535 -6.095 6.089
343 HG LEU 44 HG LEU 44 -8.032 -5.980 5.807
344 HD11 LEU 44 HD11 LEU 44 -8.153 -4.289 4.027
345 HD12 LEU 44 HD12 LEU 44 -9.011 -5.757 3.569
346 HD13 LEU 44 HD13 LEU 44 -7.413 -5.423 2.886
347 HD21 LEU 44 HD21 LEU 44 -6.783 -8.104 5.465
348 HD22 LEU 44 HD22 LEU 44 -6.683 -7.738 3.735
349 HD23 LEU 44 HD23 LEU 44 -8.255 -8.009 4.497
350 H TYR 45 HN TYR 45 -7.949 -2.455 6.084
351 HA TYR 45 HA TYR 45 -8.565 -2.917 8.893
352 HB2 TYR 45 HB2 TYR 45 -9.833 -1.137 6.761
353 HB3 TYR 45 HB1 TYR 45 -10.352 -1.179 8.446
354 HD1 TYR 45 HD1 TYR 45 -9.121 0.019 10.140
355 HD2 TYR 45 HD2 TYR 45 -7.488 -0.285 6.203
356 HE1 TYR 45 HE1 TYR 45 -7.411 1.682 10.720
357 HE2 TYR 45 HE2 TYR 45 -5.773 1.385 6.788
358 HH TYR 45 HH TYR 45 -5.345 3.145 8.396
359 H THR 46 HN THR 46 -10.727 -3.550 9.589
360 HA THR 46 HA THR 46 -11.454 -6.034 8.387
361 HB THR 46 HB THR 46 -11.501 -5.766 10.837
362 HG1 THR 46 HG1 THR 46 -14.125 -6.318 9.838
363 HG21 THR 46 HG21 THR 46 -13.311 -4.539 11.969
364 HG22 THR 46 HG22 THR 46 -13.905 -3.955 10.413
365 HG23 THR 46 HG23 THR 46 -12.321 -3.448 11.002
366 H ASP 47 HN ASP 47 -12.710 -2.806 7.984
367 HA ASP 47 HA ASP 47 -15.329 -3.607 7.019
368 HB2 ASP 47 HB2 ASP 47 -15.787 -1.280 6.705
369 HB3 ASP 47 HB1 ASP 47 -14.822 -1.372 8.170
370 H GLY 48 HN GLY 48 -12.183 -3.330 5.696
371 HA2 GLY 48 HA2 GLY 48 -11.818 -4.404 3.518
372 HA3 GLY 48 HA1 GLY 48 -13.216 -3.525 2.917
373 H ARG 49 HN ARG 49 -11.930 -1.166 4.723
374 HA ARG 49 HA ARG 49 -10.568 0.231 2.669
375 HB2 ARG 49 HB2 ARG 49 -10.722 0.588 5.671
376 HB3 ARG 49 HB1 ARG 49 -9.564 1.546 4.755
377 HG2 ARG 49 HG2 ARG 49 -11.426 2.466 3.395
378 HG3 ARG 49 HG1 ARG 49 -12.571 1.549 4.384
379 HD2 ARG 49 HD2 ARG 49 -12.313 3.948 5.083
380 HD3 ARG 49 HD1 ARG 49 -11.967 2.787 6.369
381 HE ARG 49 HE ARG 49 -9.696 3.790 4.815
382 HH11 ARG 49 HH11 ARG 49 -11.508 4.041 7.821
383 HH12 ARG 49 HH12 ARG 49 -10.223 4.847 8.664
384 HH21 ARG 49 HH21 ARG 49 -8.024 4.826 5.929
385 HH22 ARG 49 HH22 ARG 49 -8.244 5.292 7.592
386 H VAL 50 HN VAL 50 -8.368 0.650 2.344
387 HA VAL 50 HA VAL 50 -6.366 -0.860 3.891
388 HB VAL 50 HB VAL 50 -5.060 -1.328 1.812
389 HG11 VAL 50 HG11 VAL 50 -6.416 -3.100 2.796
390 HG12 VAL 50 HG12 VAL 50 -6.404 -3.245 1.041
391 HG13 VAL 50 HG13 VAL 50 -7.821 -2.588 1.856
392 HG21 VAL 50 HG21 VAL 50 -7.556 -0.435 0.307
393 HG22 VAL 50 HG22 VAL 50 -6.147 -1.216 -0.417
394 HG23 VAL 50 HG23 VAL 50 -5.991 0.384 0.309
395 H GLU 51 HN GLU 51 -4.393 0.163 4.100
396 HA GLU 51 HA GLU 51 -4.089 2.884 2.997
397 HB2 GLU 51 HB2 GLU 51 -5.113 3.153 5.212
398 HB3 GLU 51 HB1 GLU 51 -3.879 2.131 5.939
399 HG2 GLU 51 HG2 GLU 51 -2.154 3.802 5.409
400 HG3 GLU 51 HG1 GLU 51 -3.365 4.809 4.613
401 H CYS 52 HN CYS 52 -2.134 3.051 2.108
402 HA CYS 52 HA CYS 52 0.109 1.411 3.072
403 HB2 CYS 52 HB2 CYS 52 -0.227 1.340 0.652
404 HB3 CYS 52 HB1 CYS 52 -0.159 3.102 0.561
405 HG CYS 52 HG CYS 52 2.257 2.743 -0.271
406 H ARG 53 HN ARG 53 1.010 2.415 4.811
407 HA ARG 53 HA ARG 53 1.052 5.307 5.100
408 HB2 ARG 53 HB2 ARG 53 2.240 3.149 6.895
409 HB3 ARG 53 HB1 ARG 53 2.064 4.857 7.311
410 HG2 ARG 53 HG2 ARG 53 -0.392 4.647 7.113
411 HG3 ARG 53 HG1 ARG 53 -0.210 2.940 6.710
412 HD2 ARG 53 HD2 ARG 53 0.840 2.581 8.953
413 HD3 ARG 53 HD1 ARG 53 0.497 4.273 9.340
414 HE ARG 53 HE ARG 53 -1.859 2.968 8.462
415 HH11 ARG 53 HH11 ARG 53 0.220 3.119 11.292
416 HH12 ARG 53 HH12 ARG 53 -1.057 2.689 12.381
417 HH21 ARG 53 HH21 ARG 53 -3.517 2.432 9.904
418 HH22 ARG 53 HH22 ARG 53 -3.176 2.300 11.604
419 H GLU 54 HN GLU 54 3.229 2.901 3.880
420 HA GLU 54 HA GLU 54 5.666 4.315 3.803
421 HB2 GLU 54 HB2 GLU 54 5.561 2.002 3.067
422 HB3 GLU 54 HB1 GLU 54 4.410 2.395 1.800
423 HG2 GLU 54 HG2 GLU 54 6.438 2.093 0.671
424 HG3 GLU 54 HG1 GLU 54 6.273 3.832 0.755
425 H LEU 55 HN LEU 55 2.751 4.473 1.865
426 HA LEU 55 HA LEU 55 3.903 6.404 -0.020
427 HB2 LEU 55 HB2 LEU 55 2.671 4.169 -0.691
428 HB3 LEU 55 HB1 LEU 55 1.203 5.062 -0.354
429 HG LEU 55 HG LEU 55 1.826 5.008 -2.785
430 HD11 LEU 55 HD11 LEU 55 1.466 7.388 -3.287
431 HD12 LEU 55 HD12 LEU 55 1.829 7.815 -1.614
432 HD13 LEU 55 HD13 LEU 55 0.406 6.842 -1.989
433 HD21 LEU 55 HD21 LEU 55 4.277 5.016 -2.516
434 HD22 LEU 55 HD22 LEU 55 4.223 6.689 -1.956
435 HD23 LEU 55 HD23 LEU 55 3.754 6.295 -3.610
436 H ARG 56 HN ARG 56 3.841 8.113 1.401
437 HA ARG 56 HA ARG 56 1.366 9.308 2.289
438 HB2 ARG 56 HB2 ARG 56 4.195 10.382 2.001
439 HB3 ARG 56 HB1 ARG 56 2.849 11.326 2.653
440 HG2 ARG 56 HG2 ARG 56 2.570 9.779 4.490
441 HG3 ARG 56 HG1 ARG 56 3.787 8.689 3.810
442 HD2 ARG 56 HD2 ARG 56 4.313 11.526 4.719
443 HD3 ARG 56 HD1 ARG 56 4.665 10.080 5.669
444 HE ARG 56 HE ARG 56 6.100 11.059 3.322
445 HH11 ARG 56 HH11 ARG 56 5.727 8.398 5.606
446 HH12 ARG 56 HH12 ARG 56 7.257 7.693 5.193
447 HH21 ARG 56 HH21 ARG 56 8.576 8.650 3.583
448 HH22 ARG 56 HH22 ARG 56 8.049 10.088 2.765
449 HA PRO 57 HA PRO 57 0.261 11.526 -1.582
450 HB2 PRO 57 HB2 PRO 57 -0.219 13.877 0.264
451 HB3 PRO 57 HB1 PRO 57 -1.294 13.157 -0.956
452 HG2 PRO 57 HG2 PRO 57 -1.760 12.703 1.602
453 HG3 PRO 57 HG1 PRO 57 -1.910 11.375 0.425
454 HD2 PRO 57 HD2 PRO 57 0.344 11.951 2.342
455 HD3 PRO 57 HD1 PRO 57 -0.421 10.395 1.937
456 H ASP 58 HN ASP 58 2.730 12.503 0.607
457 HA ASP 58 HA ASP 58 3.774 14.779 -0.826
458 HB2 ASP 58 HB2 ASP 58 5.161 13.107 1.322
459 HB3 ASP 58 HB1 ASP 58 5.583 14.737 0.811
460 H VAL 59 HN VAL 59 3.740 11.618 -1.686
461 HA VAL 59 HA VAL 59 6.405 11.051 -2.391
462 HB VAL 59 HB VAL 59 4.666 9.302 -2.084
463 HG11 VAL 59 HG11 VAL 59 3.066 8.748 -3.865
464 HG12 VAL 59 HG12 VAL 59 3.551 10.193 -4.759
465 HG13 VAL 59 HG13 VAL 59 2.765 10.350 -3.188
466 HG21 VAL 59 HG21 VAL 59 6.754 8.747 -3.242
467 HG22 VAL 59 HG22 VAL 59 6.050 9.213 -4.792
468 HG23 VAL 59 HG23 VAL 59 5.416 7.816 -3.919
469 H PHE 60 HN PHE 60 3.689 12.365 -4.283
470 HA PHE 60 HA PHE 60 5.488 13.482 -6.319
471 HB2 PHE 60 HB2 PHE 60 3.205 11.560 -6.960
472 HB3 PHE 60 HB1 PHE 60 3.999 12.558 -8.168
473 HD1 PHE 60 HD1 PHE 60 6.778 12.288 -7.903
474 HD2 PHE 60 HD2 PHE 60 3.818 9.298 -7.113
475 HE1 PHE 60 HE1 PHE 60 8.444 10.522 -8.307
476 HE2 PHE 60 HE2 PHE 60 5.501 7.542 -7.514
477 HZ PHE 60 HZ PHE 60 7.810 8.150 -8.105
478 H GLY 61 HN GLY 61 3.248 14.200 -4.147
479 HA2 GLY 61 HA2 GLY 61 1.525 15.732 -3.938
480 HA3 GLY 61 HA1 GLY 61 1.833 16.253 -5.596
481 H ALA 62 HN ALA 62 0.879 13.216 -4.048
482 HA ALA 62 HA ALA 62 -0.759 12.394 -6.274
483 HB1 ALA 62 HB1 ALA 62 -0.980 10.280 -5.019
484 HB2 ALA 62 HB2 ALA 62 -0.215 11.022 -3.612
485 HB3 ALA 62 HB3 ALA 62 0.710 10.791 -5.096
Start of MODEL 2
1 H1 MET 1 HT1 MET 1 -4.727 -4.644 14.788
2 H2 MET 1 HT2 MET 1 -5.992 -4.581 13.674
3 H3 MET 1 HT3 MET 1 -5.489 -3.171 14.453
4 HA MET 1 HA MET 1 -4.742 -3.298 12.159
5 HB2 MET 1 HB2 MET 1 -2.361 -2.732 12.609
6 HB3 MET 1 HB1 MET 1 -3.449 -1.949 13.737
7 HG2 MET 1 HG2 MET 1 -2.761 -3.330 15.531
8 HG3 MET 1 HG1 MET 1 -1.983 -4.492 14.457
9 HE1 MET 1 HE1 MET 1 0.310 -4.069 13.201
10 HE2 MET 1 HE2 MET 1 1.192 -2.544 13.266
11 HE3 MET 1 HE3 MET 1 -0.358 -2.625 12.431
12 H LYS 2 HN LYS 2 -4.174 -4.635 10.513
13 HA LYS 2 HA LYS 2 -2.602 -7.079 11.106
14 HB2 LYS 2 HB2 LYS 2 -4.917 -6.955 9.118
15 HB3 LYS 2 HB1 LYS 2 -3.959 -8.375 9.544
16 HG2 LYS 2 HG2 LYS 2 -4.886 -7.937 11.978
17 HG3 LYS 2 HG1 LYS 2 -6.102 -6.964 11.154
18 HD2 LYS 2 HD2 LYS 2 -7.027 -9.164 11.519
19 HD3 LYS 2 HD1 LYS 2 -6.708 -9.009 9.789
20 HE2 LYS 2 HE2 LYS 2 -4.673 -10.350 10.012
21 HE3 LYS 2 HE1 LYS 2 -4.860 -10.399 11.766
22 HZ1 LYS 2 HZ1 LYS 2 -5.604 -12.446 10.728
23 HZ2 LYS 2 HZ2 LYS 2 -6.735 -11.601 9.803
24 HZ3 LYS 2 HZ3 LYS 2 -6.897 -11.660 11.483
25 H LYS 3 HN LYS 3 -0.700 -6.786 10.136
26 HA LYS 3 HA LYS 3 -0.301 -5.113 7.817
27 HB2 LYS 3 HB2 LYS 3 2.077 -5.813 7.994
28 HB3 LYS 3 HB1 LYS 3 1.450 -5.304 9.561
29 HG2 LYS 3 HG2 LYS 3 1.153 -7.669 10.221
30 HG3 LYS 3 HG1 LYS 3 1.783 -8.189 8.654
31 HD2 LYS 3 HD2 LYS 3 3.976 -7.164 9.197
32 HD3 LYS 3 HD1 LYS 3 3.333 -6.606 10.745
33 HE2 LYS 3 HE2 LYS 3 2.860 -9.079 11.264
34 HE3 LYS 3 HE1 LYS 3 3.867 -9.458 9.866
35 HZ1 LYS 3 HZ1 LYS 3 4.681 -8.018 12.332
36 HZ2 LYS 3 HZ2 LYS 3 5.651 -8.145 10.959
37 HZ3 LYS 3 HZ3 LYS 3 5.212 -9.539 11.813
38 H ILE 4 HN ILE 4 -0.273 -5.739 5.712
39 HA ILE 4 HA ILE 4 -0.001 -8.614 5.019
40 HB ILE 4 HB ILE 4 -1.551 -6.588 3.353
41 HG12 ILE 4 HG12 ILE 4 -2.625 -8.630 5.341
42 HG13 ILE 4 HG11 ILE 4 -2.883 -6.884 5.344
43 HG21 ILE 4 HG21 ILE 4 -1.448 -9.605 3.073
44 HG22 ILE 4 HG22 ILE 4 -0.587 -8.452 2.052
45 HG23 ILE 4 HG23 ILE 4 -2.352 -8.481 2.042
46 HD11 ILE 4 HD11 ILE 4 -3.962 -8.853 3.338
47 HD12 ILE 4 HD12 ILE 4 -4.180 -7.101 3.272
48 HD13 ILE 4 HD13 ILE 4 -4.858 -8.025 4.608
49 HA PRO 5 HA PRO 5 3.636 -7.008 2.807
50 HB2 PRO 5 HB2 PRO 5 3.443 -9.548 1.216
51 HB3 PRO 5 HB1 PRO 5 4.778 -8.964 2.227
52 HG2 PRO 5 HG2 PRO 5 3.283 -11.026 3.032
53 HG3 PRO 5 HG1 PRO 5 3.851 -9.806 4.198
54 HD2 PRO 5 HD2 PRO 5 1.122 -10.022 2.899
55 HD3 PRO 5 HD1 PRO 5 1.509 -9.728 4.608
56 H LEU 6 HN LEU 6 3.869 -5.865 0.838
57 HA LEU 6 HA LEU 6 1.576 -4.776 -0.227
58 HB2 LEU 6 HB2 LEU 6 3.777 -3.708 -0.362
59 HB3 LEU 6 HB1 LEU 6 4.321 -4.902 -1.526
60 HG LEU 6 HG LEU 6 2.653 -4.020 -3.187
61 HD11 LEU 6 HD11 LEU 6 0.971 -3.148 -1.659
62 HD12 LEU 6 HD12 LEU 6 1.497 -1.902 -2.788
63 HD13 LEU 6 HD13 LEU 6 2.082 -1.884 -1.120
64 HD21 LEU 6 HD21 LEU 6 3.833 -1.965 -3.740
65 HD22 LEU 6 HD22 LEU 6 4.975 -3.188 -3.181
66 HD23 LEU 6 HD23 LEU 6 4.499 -1.873 -2.105
67 H SER 7 HN SER 7 3.688 -7.056 -2.046
68 HA SER 7 HA SER 7 2.039 -7.300 -4.297
69 HB2 SER 7 HB2 SER 7 4.072 -9.313 -3.243
70 HB3 SER 7 HB1 SER 7 3.447 -9.237 -4.895
71 HG SER 7 HG SER 7 4.706 -7.575 -5.300
72 H LYS 8 HN LYS 8 2.124 -9.151 -1.286
73 HA LYS 8 HA LYS 8 0.431 -11.312 -1.963
74 HB2 LYS 8 HB2 LYS 8 1.955 -10.531 0.255
75 HB3 LYS 8 HB1 LYS 8 0.328 -10.386 0.881
76 HG2 LYS 8 HG2 LYS 8 1.412 -12.900 -0.407
77 HG3 LYS 8 HG1 LYS 8 1.530 -12.565 1.322
78 HD2 LYS 8 HD2 LYS 8 -0.913 -12.561 1.522
79 HD3 LYS 8 HD1 LYS 8 -1.092 -12.774 -0.225
80 HE2 LYS 8 HE2 LYS 8 -0.155 -14.994 -0.120
81 HE3 LYS 8 HE1 LYS 8 0.346 -14.775 1.555
82 HZ1 LYS 8 HZ1 LYS 8 -2.461 -14.841 0.615
83 HZ2 LYS 8 HZ2 LYS 8 -1.954 -14.703 2.218
84 HZ3 LYS 8 HZ3 LYS 8 -1.650 -16.122 1.352
85 H TYR 9 HN TYR 9 -0.184 -8.079 -0.646
86 HA TYR 9 HA TYR 9 -2.993 -8.283 -0.312
87 HB2 TYR 9 HB2 TYR 9 -1.692 -6.520 0.851
88 HB3 TYR 9 HB1 TYR 9 -1.261 -5.793 -0.689
89 HD1 TYR 9 HD1 TYR 9 -4.021 -6.275 1.772
90 HD2 TYR 9 HD2 TYR 9 -2.896 -4.462 -1.962
91 HE1 TYR 9 HE1 TYR 9 -6.077 -5.005 1.759
92 HE2 TYR 9 HE2 TYR 9 -4.980 -3.181 -1.959
93 HH TYR 9 HH TYR 9 -7.279 -3.452 -0.969
94 H LEU 10 HN LEU 10 -0.915 -7.147 -2.940
95 HA LEU 10 HA LEU 10 -2.982 -6.132 -4.596
96 HB2 LEU 10 HB2 LEU 10 -0.134 -6.918 -5.284
97 HB3 LEU 10 HB1 LEU 10 -1.204 -6.018 -6.353
98 HG LEU 10 HG LEU 10 -0.182 -5.039 -3.655
99 HD11 LEU 10 HD11 LEU 10 1.195 -3.468 -4.928
100 HD12 LEU 10 HD12 LEU 10 0.653 -4.205 -6.440
101 HD13 LEU 10 HD13 LEU 10 1.611 -5.143 -5.290
102 HD21 LEU 10 HD21 LEU 10 -1.825 -3.553 -5.727
103 HD22 LEU 10 HD22 LEU 10 -1.135 -2.866 -4.252
104 HD23 LEU 10 HD23 LEU 10 -2.386 -4.101 -4.140
105 H GLU 11 HN GLU 11 -1.781 -9.357 -4.108
106 HA GLU 11 HA GLU 11 -2.705 -10.435 -6.625
107 HB2 GLU 11 HB2 GLU 11 -1.804 -11.763 -4.040
108 HB3 GLU 11 HB1 GLU 11 -2.343 -12.678 -5.445
109 HG2 GLU 11 HG2 GLU 11 0.067 -10.833 -5.328
110 HG3 GLU 11 HG1 GLU 11 0.096 -12.596 -5.363
111 H GLU 12 HN GLU 12 -3.903 -10.595 -3.229
112 HA GLU 12 HA GLU 12 -6.181 -12.233 -4.165
113 HB2 GLU 12 HB2 GLU 12 -5.296 -11.768 -1.298
114 HB3 GLU 12 HB1 GLU 12 -6.371 -13.030 -1.895
115 HG2 GLU 12 HG2 GLU 12 -4.529 -14.134 -3.022
116 HG3 GLU 12 HG1 GLU 12 -3.432 -12.810 -2.617
117 H HIS 13 HN HIS 13 -5.520 -9.095 -2.775
118 HA HIS 13 HA HIS 13 -8.170 -8.966 -1.446
119 HB2 HIS 13 HB2 HIS 13 -5.657 -7.328 -0.910
120 HB3 HIS 13 HB1 HIS 13 -7.143 -7.286 0.034
121 HD1 HIS 13 HD1 HIS 13 -7.475 -9.105 1.777
122 HD2 HIS 13 HD2 HIS 13 -4.112 -9.732 -0.556
123 HE1 HIS 13 HE1 HIS 13 -6.230 -10.980 2.872
124 HE2 HIS 13 HE2 HIS 13 -4.351 -11.505 1.288
125 H GLY 14 HN GLY 14 -5.973 -7.052 -3.491
126 HA2 GLY 14 HA2 GLY 14 -8.112 -5.744 -4.894
127 HA3 GLY 14 HA1 GLY 14 -7.342 -4.660 -3.738
128 H THR 15 HN THR 15 -7.218 -3.965 -6.353
129 HA THR 15 HA THR 15 -4.637 -4.821 -7.464
130 HB THR 15 HB THR 15 -5.249 -3.179 -9.325
131 HG1 THR 15 HG1 THR 15 -7.912 -3.148 -8.676
132 HG21 THR 15 HG21 THR 15 -7.263 -5.383 -8.783
133 HG22 THR 15 HG22 THR 15 -5.694 -5.587 -9.567
134 HG23 THR 15 HG23 THR 15 -6.948 -4.621 -10.346
135 H GLN 16 HN GLN 16 -3.372 -2.871 -8.484
136 HA GLN 16 HA GLN 16 -2.387 -1.191 -6.382
137 HB2 GLN 16 HB2 GLN 16 -1.822 -1.002 -9.383
138 HB3 GLN 16 HB1 GLN 16 -0.899 -0.213 -8.111
139 HG2 GLN 16 HG2 GLN 16 0.425 -2.057 -8.759
140 HG3 GLN 16 HG1 GLN 16 -0.314 -2.545 -7.248
141 HE21 GLN 16 HE21 GLN 16 -1.851 -4.235 -7.283
142 HE22 GLN 16 HE22 GLN 16 -2.069 -5.256 -8.658
143 H SER 17 HN SER 17 -4.570 -0.871 -9.091
144 HA SER 17 HA SER 17 -5.115 1.879 -9.076
145 HB2 SER 17 HB2 SER 17 -7.040 -0.380 -9.766
146 HB3 SER 17 HB1 SER 17 -7.073 1.277 -10.387
147 HG SER 17 HG SER 17 -6.132 -0.218 -11.860
148 H ALA 18 HN ALA 18 -6.773 -0.833 -7.475
149 HA ALA 18 HA ALA 18 -8.783 0.599 -6.112
150 HB1 ALA 18 HB1 ALA 18 -8.856 -1.849 -6.478
151 HB2 ALA 18 HB2 ALA 18 -9.056 -1.440 -4.770
152 HB3 ALA 18 HB3 ALA 18 -7.504 -2.050 -5.356
153 H LEU 19 HN LEU 19 -5.523 -0.419 -5.203
154 HA LEU 19 HA LEU 19 -5.683 0.233 -2.455
155 HB2 LEU 19 HB2 LEU 19 -4.017 -1.355 -3.255
156 HB3 LEU 19 HB1 LEU 19 -3.287 -0.143 -4.289
157 HG LEU 19 HG LEU 19 -2.426 1.079 -2.317
158 HD11 LEU 19 HD11 LEU 19 -4.177 0.606 -0.704
159 HD12 LEU 19 HD12 LEU 19 -2.594 0.193 -0.056
160 HD13 LEU 19 HD13 LEU 19 -3.679 -1.087 -0.614
161 HD21 LEU 19 HD21 LEU 19 -1.021 -0.666 -3.300
162 HD22 LEU 19 HD22 LEU 19 -1.719 -1.868 -2.210
163 HD23 LEU 19 HD23 LEU 19 -0.756 -0.536 -1.562
164 H ALA 20 HN ALA 20 -4.161 1.910 -5.221
165 HA ALA 20 HA ALA 20 -3.352 4.298 -3.996
166 HB1 ALA 20 HB1 ALA 20 -2.664 3.576 -6.258
167 HB2 ALA 20 HB2 ALA 20 -3.311 5.217 -6.279
168 HB3 ALA 20 HB3 ALA 20 -4.297 3.870 -6.861
169 H ALA 21 HN ALA 21 -6.514 3.394 -5.369
170 HA ALA 21 HA ALA 21 -7.795 5.904 -5.179
171 HB1 ALA 21 HB1 ALA 21 -9.893 4.633 -5.395
172 HB2 ALA 21 HB2 ALA 21 -9.024 3.128 -5.072
173 HB3 ALA 21 HB3 ALA 21 -8.676 4.054 -6.535
174 H ALA 22 HN ALA 22 -7.429 3.247 -2.865
175 HA ALA 22 HA ALA 22 -9.105 4.347 -0.805
176 HB1 ALA 22 HB1 ALA 22 -8.684 1.928 -0.975
177 HB2 ALA 22 HB2 ALA 22 -8.186 2.542 0.604
178 HB3 ALA 22 HB3 ALA 22 -6.971 2.186 -0.628
179 H LEU 23 HN LEU 23 -5.686 4.574 -1.614
180 HA LEU 23 HA LEU 23 -4.894 5.939 0.820
181 HB2 LEU 23 HB2 LEU 23 -3.381 5.811 -1.827
182 HB3 LEU 23 HB1 LEU 23 -2.718 6.225 -0.256
183 HG LEU 23 HG LEU 23 -3.631 3.487 -1.194
184 HD11 LEU 23 HD11 LEU 23 -0.879 4.468 -0.400
185 HD12 LEU 23 HD12 LEU 23 -1.443 4.117 -2.038
186 HD13 LEU 23 HD13 LEU 23 -1.307 2.814 -0.860
187 HD21 LEU 23 HD21 LEU 23 -2.941 2.615 0.995
188 HD22 LEU 23 HD22 LEU 23 -4.318 3.704 1.110
189 HD23 LEU 23 HD23 LEU 23 -2.710 4.266 1.580
190 H GLY 24 HN GLY 24 -6.278 6.810 -2.213
191 HA2 GLY 24 HA2 GLY 24 -6.908 8.799 -3.155
192 HA3 GLY 24 HA1 GLY 24 -6.447 9.624 -1.673
193 H VAL 25 HN VAL 25 -4.383 7.570 -3.597
194 HA VAL 25 HA VAL 25 -2.715 9.827 -4.510
195 HB VAL 25 HB VAL 25 -0.687 8.597 -4.111
196 HG11 VAL 25 HG11 VAL 25 -2.431 8.126 -1.669
197 HG12 VAL 25 HG12 VAL 25 -1.675 9.665 -2.097
198 HG13 VAL 25 HG13 VAL 25 -0.671 8.274 -1.695
199 HG21 VAL 25 HG21 VAL 25 -1.381 6.358 -4.825
200 HG22 VAL 25 HG22 VAL 25 -2.368 6.167 -3.377
201 HG23 VAL 25 HG23 VAL 25 -0.607 6.266 -3.240
202 H ASN 26 HN ASN 26 -1.365 9.263 -6.440
203 HA ASN 26 HA ASN 26 -2.742 7.701 -8.438
204 HB2 ASN 26 HB2 ASN 26 -0.192 9.329 -8.415
205 HB3 ASN 26 HB1 ASN 26 -0.501 8.229 -9.751
206 HD21 ASN 26 HD21 ASN 26 -1.687 11.106 -8.088
207 HD22 ASN 26 HD22 ASN 26 -2.655 11.671 -9.401
208 H GLN 27 HN GLN 27 -1.876 5.875 -9.554
209 HA GLN 27 HA GLN 27 -0.867 3.799 -7.898
210 HB2 GLN 27 HB2 GLN 27 -0.998 3.836 -10.938
211 HB3 GLN 27 HB1 GLN 27 -0.910 2.405 -9.912
212 HG2 GLN 27 HG2 GLN 27 -3.138 2.883 -9.014
213 HG3 GLN 27 HG1 GLN 27 -3.229 4.367 -9.963
214 HE21 GLN 27 HE21 GLN 27 -5.049 3.725 -11.128
215 HE22 GLN 27 HE22 GLN 27 -5.017 2.453 -12.297
216 H SER 28 HN SER 28 0.668 6.174 -9.832
217 HA SER 28 HA SER 28 3.163 5.280 -10.492
218 HB2 SER 28 HB2 SER 28 2.647 7.998 -9.202
219 HB3 SER 28 HB1 SER 28 3.844 7.599 -10.436
220 HG SER 28 HG SER 28 2.240 7.436 -11.933
221 H ALA 29 HN ALA 29 2.004 6.406 -7.328
222 HA ALA 29 HA ALA 29 4.275 6.257 -5.712
223 HB1 ALA 29 HB1 ALA 29 1.389 5.579 -5.038
224 HB2 ALA 29 HB2 ALA 29 2.120 7.185 -4.974
225 HB3 ALA 29 HB3 ALA 29 2.659 5.922 -3.867
226 H ILE 30 HN ILE 30 1.825 3.638 -6.173
227 HA ILE 30 HA ILE 30 3.140 1.793 -4.509
228 HB ILE 30 HB ILE 30 1.059 1.326 -6.703
229 HG12 ILE 30 HG12 ILE 30 -0.424 0.786 -4.650
230 HG13 ILE 30 HG11 ILE 30 0.865 1.449 -3.656
231 HG21 ILE 30 HG21 ILE 30 2.067 -0.728 -4.710
232 HG22 ILE 30 HG22 ILE 30 2.317 -0.770 -6.456
233 HG23 ILE 30 HG23 ILE 30 0.689 -0.939 -5.795
234 HD11 ILE 30 HD11 ILE 30 0.534 3.616 -4.697
235 HD12 ILE 30 HD12 ILE 30 -0.965 2.990 -3.992
236 HD13 ILE 30 HD13 ILE 30 -0.711 2.924 -5.740
237 H SER 31 HN SER 31 3.391 2.271 -8.030
238 HA SER 31 HA SER 31 5.032 0.018 -8.649
239 HB2 SER 31 HB2 SER 31 4.792 2.691 -10.126
240 HB3 SER 31 HB1 SER 31 5.395 1.170 -10.802
241 HG SER 31 HG SER 31 3.090 0.546 -9.835
242 H GLN 32 HN GLN 32 5.850 3.381 -7.717
243 HA GLN 32 HA GLN 32 8.694 3.065 -8.052
244 HB2 GLN 32 HB2 GLN 32 7.035 5.178 -6.618
245 HB3 GLN 32 HB1 GLN 32 8.791 5.252 -6.730
246 HG2 GLN 32 HG2 GLN 32 6.864 5.278 -9.074
247 HG3 GLN 32 HG1 GLN 32 7.702 6.680 -8.410
248 HE21 GLN 32 HE21 GLN 32 9.973 6.839 -8.705
249 HE22 GLN 32 HE22 GLN 32 10.771 5.985 -9.980
250 H MET 33 HN MET 33 6.442 2.492 -5.447
251 HA MET 33 HA MET 33 8.281 2.210 -3.260
252 HB2 MET 33 HB2 MET 33 5.561 0.898 -3.613
253 HB3 MET 33 HB1 MET 33 6.429 1.146 -2.103
254 HG2 MET 33 HG2 MET 33 6.114 3.569 -2.276
255 HG3 MET 33 HG1 MET 33 5.447 3.382 -3.870
256 HE1 MET 33 HE1 MET 33 4.477 0.784 -1.080
257 HE2 MET 33 HE2 MET 33 3.353 1.776 -0.145
258 HE3 MET 33 HE3 MET 33 5.056 2.230 -0.248
259 H VAL 34 HN VAL 34 6.883 0.043 -5.651
260 HA VAL 34 HA VAL 34 8.047 -2.415 -4.881
261 HB VAL 34 HB VAL 34 6.906 -1.383 -7.516
262 HG11 VAL 34 HG11 VAL 34 7.797 -4.241 -6.992
263 HG12 VAL 34 HG12 VAL 34 8.554 -3.106 -8.113
264 HG13 VAL 34 HG13 VAL 34 6.909 -3.665 -8.409
265 HG21 VAL 34 HG21 VAL 34 5.806 -3.402 -5.520
266 HG22 VAL 34 HG22 VAL 34 5.003 -2.875 -7.003
267 HG23 VAL 34 HG23 VAL 34 5.277 -1.726 -5.692
268 H ARG 35 HN ARG 35 8.998 0.008 -7.332
269 HA ARG 35 HA ARG 35 11.339 -1.340 -8.245
270 HB2 ARG 35 HB2 ARG 35 10.420 1.543 -8.580
271 HB3 ARG 35 HB1 ARG 35 11.850 0.888 -9.376
272 HG2 ARG 35 HG2 ARG 35 10.466 -0.702 -10.619
273 HG3 ARG 35 HG1 ARG 35 9.020 -0.135 -9.779
274 HD2 ARG 35 HD2 ARG 35 9.337 2.116 -10.768
275 HD3 ARG 35 HD1 ARG 35 10.778 1.536 -11.612
276 HE ARG 35 HE ARG 35 8.433 -0.015 -12.197
277 HH11 ARG 35 HH11 ARG 35 9.474 2.987 -14.687
278 HH12 ARG 35 HH12 ARG 35 10.168 2.926 -13.101
279 HH21 ARG 35 HH21 ARG 35 7.970 1.395 -15.350
280 HH22 ARG 35 HH22 ARG 35 7.513 0.113 -14.275
281 H ALA 36 HN ALA 36 10.759 0.874 -5.610
282 HA ALA 36 HA ALA 36 13.381 1.796 -5.078
283 HB1 ALA 36 HB1 ALA 36 11.376 2.777 -4.027
284 HB2 ALA 36 HB2 ALA 36 12.538 2.263 -2.802
285 HB3 ALA 36 HB3 ALA 36 11.102 1.283 -3.125
286 H GLY 37 HN GLY 37 11.991 -1.330 -4.832
287 HA2 GLY 37 HA2 GLY 37 12.821 -3.348 -4.146
288 HA3 GLY 37 HA1 GLY 37 14.341 -2.562 -3.739
289 H ARG 38 HN ARG 38 11.497 -1.203 -2.396
290 HA ARG 38 HA ARG 38 12.246 -2.098 0.309
291 HB2 ARG 38 HB2 ARG 38 12.147 0.329 -0.013
292 HB3 ARG 38 HB1 ARG 38 10.540 0.222 -0.717
293 HG2 ARG 38 HG2 ARG 38 10.441 1.102 1.567
294 HG3 ARG 38 HG1 ARG 38 9.605 -0.444 1.456
295 HD2 ARG 38 HD2 ARG 38 11.557 -1.575 2.484
296 HD3 ARG 38 HD1 ARG 38 12.390 -0.014 2.599
297 HE ARG 38 HE ARG 38 9.897 0.248 3.841
298 HH11 ARG 38 HH11 ARG 38 12.889 -1.505 4.439
299 HH12 ARG 38 HH12 ARG 38 12.667 -1.527 6.152
300 HH21 ARG 38 HH21 ARG 38 10.830 -0.531 7.086
301 HH22 ARG 38 HH22 ARG 38 9.647 0.242 6.079
302 H CYS 39 HN CYS 39 11.144 -3.863 0.990
303 HA CYS 39 HA CYS 39 8.610 -4.742 0.021
304 HB2 CYS 39 HB2 CYS 39 10.227 -6.315 1.039
305 HB3 CYS 39 HB1 CYS 39 10.082 -5.495 2.591
306 HG CYS 39 HG CYS 39 7.621 -7.260 0.997
307 H ILE 40 HN ILE 40 6.607 -4.059 0.647
308 HA ILE 40 HA ILE 40 6.444 -1.945 2.715
309 HB ILE 40 HB ILE 40 4.514 -2.462 0.403
310 HG12 ILE 40 HG12 ILE 40 6.748 -1.862 -0.489
311 HG13 ILE 40 HG11 ILE 40 5.561 -0.606 -0.802
312 HG21 ILE 40 HG21 ILE 40 3.488 -1.279 2.291
313 HG22 ILE 40 HG22 ILE 40 3.627 -0.235 0.878
314 HG23 ILE 40 HG23 ILE 40 4.757 -0.053 2.220
315 HD11 ILE 40 HD11 ILE 40 6.483 0.682 1.088
316 HD12 ILE 40 HD12 ILE 40 7.652 0.359 -0.196
317 HD13 ILE 40 HD13 ILE 40 7.709 -0.574 1.295
318 H ASP 41 HN ASP 41 4.802 -1.996 4.252
319 HA ASP 41 HA ASP 41 3.146 -4.442 4.500
320 HB2 ASP 41 HB2 ASP 41 3.850 -2.382 6.642
321 HB3 ASP 41 HB1 ASP 41 2.961 -3.885 6.894
322 H ILE 42 HN ILE 42 1.014 -4.211 4.326
323 HA ILE 42 HA ILE 42 -0.223 -1.572 3.945
324 HB ILE 42 HB ILE 42 -1.247 -4.350 3.153
325 HG12 ILE 42 HG12 ILE 42 0.640 -3.612 1.723
326 HG13 ILE 42 HG11 ILE 42 -0.860 -3.637 0.801
327 HG21 ILE 42 HG21 ILE 42 -3.148 -2.881 3.686
328 HG22 ILE 42 HG22 ILE 42 -3.079 -3.181 1.949
329 HG23 ILE 42 HG23 ILE 42 -2.524 -1.635 2.598
330 HD11 ILE 42 HD11 ILE 42 0.509 -1.202 1.932
331 HD12 ILE 42 HD12 ILE 42 -1.021 -1.195 1.044
332 HD13 ILE 42 HD13 ILE 42 0.463 -1.714 0.248
333 H GLU 43 HN GLU 43 -1.151 -0.829 5.732
334 HA GLU 43 HA GLU 43 -1.999 -2.376 7.973
335 HB2 GLU 43 HB2 GLU 43 -1.247 -0.132 8.375
336 HB3 GLU 43 HB1 GLU 43 -2.308 0.538 7.150
337 HG2 GLU 43 HG2 GLU 43 -3.082 1.124 9.380
338 HG3 GLU 43 HG1 GLU 43 -4.262 0.111 8.555
339 H LEU 44 HN LEU 44 -3.597 -3.786 7.596
340 HA LEU 44 HA LEU 44 -6.076 -3.069 6.207
341 HB2 LEU 44 HB2 LEU 44 -5.054 -5.250 5.667
342 HB3 LEU 44 HB1 LEU 44 -5.094 -5.715 7.359
343 HG LEU 44 HG LEU 44 -7.595 -5.744 7.299
344 HD11 LEU 44 HD11 LEU 44 -7.974 -4.059 5.572
345 HD12 LEU 44 HD12 LEU 44 -8.805 -5.563 5.187
346 HD13 LEU 44 HD13 LEU 44 -7.302 -5.143 4.340
347 HD21 LEU 44 HD21 LEU 44 -6.308 -7.804 6.803
348 HD22 LEU 44 HD22 LEU 44 -6.400 -7.424 5.074
349 HD23 LEU 44 HD23 LEU 44 -7.875 -7.762 5.996
350 H TYR 45 HN TYR 45 -7.540 -2.107 7.382
351 HA TYR 45 HA TYR 45 -7.760 -2.286 10.272
352 HB2 TYR 45 HB2 TYR 45 -9.400 -0.781 8.165
353 HB3 TYR 45 HB1 TYR 45 -9.636 -0.618 9.901
354 HD1 TYR 45 HD1 TYR 45 -7.907 0.535 11.290
355 HD2 TYR 45 HD2 TYR 45 -7.551 0.353 7.042
356 HE1 TYR 45 HE1 TYR 45 -6.247 2.343 11.357
357 HE2 TYR 45 HE2 TYR 45 -5.893 2.149 7.098
358 HH TYR 45 HH TYR 45 -4.343 3.149 9.916
359 H THR 46 HN THR 46 -9.771 -2.885 11.330
360 HA THR 46 HA THR 46 -10.753 -5.423 10.613
361 HB THR 46 HB THR 46 -11.902 -3.458 12.649
362 HG1 THR 46 HG1 THR 46 -9.554 -4.765 12.562
363 HG21 THR 46 HG21 THR 46 -12.729 -5.445 13.851
364 HG22 THR 46 HG22 THR 46 -12.101 -6.498 12.582
365 HG23 THR 46 HG23 THR 46 -13.427 -5.387 12.230
366 H ASP 47 HN ASP 47 -12.090 -2.185 10.143
367 HA ASP 47 HA ASP 47 -14.760 -2.973 9.423
368 HB2 ASP 47 HB2 ASP 47 -15.107 -0.616 8.868
369 HB3 ASP 47 HB1 ASP 47 -14.241 -0.740 10.393
370 H GLY 48 HN GLY 48 -11.795 -3.039 7.741
371 HA2 GLY 48 HA2 GLY 48 -11.671 -4.256 5.686
372 HA3 GLY 48 HA1 GLY 48 -13.203 -3.566 5.180
373 H ARG 49 HN ARG 49 -11.701 -0.977 6.485
374 HA ARG 49 HA ARG 49 -10.810 0.145 3.997
375 HB2 ARG 49 HB2 ARG 49 -11.670 1.557 5.901
376 HB3 ARG 49 HB1 ARG 49 -10.238 1.137 6.835
377 HG2 ARG 49 HG2 ARG 49 -8.816 2.251 5.108
378 HG3 ARG 49 HG1 ARG 49 -10.275 2.715 4.230
379 HD2 ARG 49 HD2 ARG 49 -10.992 4.099 6.118
380 HD3 ARG 49 HD1 ARG 49 -9.591 3.580 7.063
381 HE ARG 49 HE ARG 49 -9.598 5.405 4.755
382 HH11 ARG 49 HH11 ARG 49 -6.329 4.841 7.041
383 HH12 ARG 49 HH12 ARG 49 -7.703 3.822 7.264
384 HH21 ARG 49 HH21 ARG 49 -7.750 6.727 4.461
385 HH22 ARG 49 HH22 ARG 49 -6.350 6.481 5.463
386 H VAL 50 HN VAL 50 -8.663 0.621 3.368
387 HA VAL 50 HA VAL 50 -6.463 -0.642 4.889
388 HB VAL 50 HB VAL 50 -5.320 -1.232 2.777
389 HG11 VAL 50 HG11 VAL 50 -6.671 -2.934 3.885
390 HG12 VAL 50 HG12 VAL 50 -6.757 -3.144 2.139
391 HG13 VAL 50 HG13 VAL 50 -8.110 -2.416 3.003
392 HG21 VAL 50 HG21 VAL 50 -6.291 0.459 1.268
393 HG22 VAL 50 HG22 VAL 50 -7.865 -0.334 1.356
394 HG23 VAL 50 HG23 VAL 50 -6.500 -1.161 0.597
395 H GLU 51 HN GLU 51 -4.490 0.376 4.758
396 HA GLU 51 HA GLU 51 -4.129 2.888 3.357
397 HB2 GLU 51 HB2 GLU 51 -5.235 3.479 5.563
398 HB3 GLU 51 HB1 GLU 51 -3.872 2.740 6.402
399 HG2 GLU 51 HG2 GLU 51 -2.354 4.399 5.356
400 HG3 GLU 51 HG1 GLU 51 -3.732 5.146 4.549
401 H CYS 52 HN CYS 52 -1.933 3.169 2.918
402 HA CYS 52 HA CYS 52 -0.161 0.944 3.654
403 HB2 CYS 52 HB2 CYS 52 -0.329 1.430 1.253
404 HB3 CYS 52 HB1 CYS 52 0.144 3.105 1.538
405 HG CYS 52 HG CYS 52 2.066 0.758 0.700
406 H ARG 53 HN ARG 53 0.799 1.297 5.514
407 HA ARG 53 HA ARG 53 1.144 3.731 6.849
408 HB2 ARG 53 HB2 ARG 53 2.533 2.408 8.449
409 HB3 ARG 53 HB1 ARG 53 1.026 1.595 8.030
410 HG2 ARG 53 HG2 ARG 53 2.269 0.178 6.404
411 HG3 ARG 53 HG1 ARG 53 3.773 0.955 6.903
412 HD2 ARG 53 HD2 ARG 53 1.958 -0.784 8.605
413 HD3 ARG 53 HD1 ARG 53 3.563 -1.196 7.998
414 HE ARG 53 HE ARG 53 2.907 0.590 10.214
415 HH11 ARG 53 HH11 ARG 53 6.724 -0.420 9.376
416 HH12 ARG 53 HH12 ARG 53 5.478 -0.841 8.239
417 HH21 ARG 53 HH21 ARG 53 6.202 0.714 11.298
418 HH22 ARG 53 HH22 ARG 53 4.560 1.165 11.640
419 H GLU 54 HN GLU 54 3.272 2.053 4.593
420 HA GLU 54 HA GLU 54 5.646 3.603 5.140
421 HB2 GLU 54 HB2 GLU 54 5.708 1.263 4.264
422 HB3 GLU 54 HB1 GLU 54 5.015 1.837 2.755
423 HG2 GLU 54 HG2 GLU 54 7.386 1.571 2.443
424 HG3 GLU 54 HG1 GLU 54 7.020 3.292 2.415
425 H LEU 55 HN LEU 55 2.988 3.765 2.832
426 HA LEU 55 HA LEU 55 4.318 5.546 1.022
427 HB2 LEU 55 HB2 LEU 55 2.683 3.785 0.274
428 HB3 LEU 55 HB1 LEU 55 1.392 4.703 1.014
429 HG LEU 55 HG LEU 55 1.726 4.885 -1.559
430 HD11 LEU 55 HD11 LEU 55 1.028 7.205 -1.682
431 HD12 LEU 55 HD12 LEU 55 1.515 7.459 -0.003
432 HD13 LEU 55 HD13 LEU 55 0.196 6.350 -0.384
433 HD21 LEU 55 HD21 LEU 55 3.339 6.525 -2.363
434 HD22 LEU 55 HD22 LEU 55 4.160 5.206 -1.537
435 HD23 LEU 55 HD23 LEU 55 3.959 6.762 -0.728
436 H ARG 56 HN ARG 56 4.793 7.291 2.200
437 HA ARG 56 HA ARG 56 2.972 9.099 3.395
438 HB2 ARG 56 HB2 ARG 56 5.736 9.416 2.209
439 HB3 ARG 56 HB1 ARG 56 4.837 10.815 2.798
440 HG2 ARG 56 HG2 ARG 56 4.673 9.747 5.038
441 HG3 ARG 56 HG1 ARG 56 5.644 8.389 4.448
442 HD2 ARG 56 HD2 ARG 56 7.577 9.724 4.236
443 HD3 ARG 56 HD1 ARG 56 6.658 11.231 4.253
444 HE ARG 56 HE ARG 56 7.213 9.516 6.603
445 HH11 ARG 56 HH11 ARG 56 6.427 13.471 6.794
446 HH12 ARG 56 HH12 ARG 56 6.322 12.656 5.265
447 HH21 ARG 56 HH21 ARG 56 7.363 10.621 8.610
448 HH22 ARG 56 HH22 ARG 56 7.013 12.312 8.685
449 HA PRO 57 HA PRO 57 1.136 10.931 -0.377
450 HB2 PRO 57 HB2 PRO 57 0.546 13.308 1.347
451 HB3 PRO 57 HB1 PRO 57 -0.578 12.257 0.458
452 HG2 PRO 57 HG2 PRO 57 -0.443 12.137 3.129
453 HG3 PRO 57 HG1 PRO 57 -0.667 10.661 2.158
454 HD2 PRO 57 HD2 PRO 57 1.887 11.718 3.397
455 HD3 PRO 57 HD1 PRO 57 1.224 10.064 3.421
456 H ASP 58 HN ASP 58 3.850 12.021 1.355
457 HA ASP 58 HA ASP 58 4.435 14.462 -0.067
458 HB2 ASP 58 HB2 ASP 58 6.339 12.706 1.558
459 HB3 ASP 58 HB1 ASP 58 6.655 14.355 1.029
460 H VAL 59 HN VAL 59 4.924 11.090 -0.606
461 HA VAL 59 HA VAL 59 7.245 10.901 -2.111
462 HB VAL 59 HB VAL 59 4.643 9.317 -2.354
463 HG11 VAL 59 HG11 VAL 59 7.384 8.557 -3.484
464 HG12 VAL 59 HG12 VAL 59 5.962 8.983 -4.431
465 HG13 VAL 59 HG13 VAL 59 5.959 7.513 -3.463
466 HG21 VAL 59 HG21 VAL 59 5.701 9.166 -0.141
467 HG22 VAL 59 HG22 VAL 59 7.227 8.670 -0.883
468 HG23 VAL 59 HG23 VAL 59 5.809 7.622 -0.994
469 H PHE 60 HN PHE 60 3.986 11.800 -3.193
470 HA PHE 60 HA PHE 60 5.059 13.117 -5.593
471 HB2 PHE 60 HB2 PHE 60 2.854 10.989 -5.629
472 HB3 PHE 60 HB1 PHE 60 3.084 12.139 -6.939
473 HD1 PHE 60 HD1 PHE 60 5.615 12.264 -7.857
474 HD2 PHE 60 HD2 PHE 60 3.902 8.873 -5.869
475 HE1 PHE 60 HE1 PHE 60 7.286 10.798 -8.900
476 HE2 PHE 60 HE2 PHE 60 5.574 7.418 -6.941
477 HZ PHE 60 HZ PHE 60 7.267 8.380 -8.450
478 H GLY 61 HN GLY 61 2.727 14.074 -6.688
479 HA2 GLY 61 HA2 GLY 61 1.599 15.962 -4.881
480 HA3 GLY 61 HA1 GLY 61 0.981 15.553 -6.474
481 H ALA 62 HN ALA 62 0.859 12.684 -5.663
482 HA ALA 62 HA ALA 62 -0.411 11.097 -4.771
483 HB1 ALA 62 HB1 ALA 62 0.328 11.973 -2.584
484 HB2 ALA 62 HB2 ALA 62 -1.316 11.331 -2.501
485 HB3 ALA 62 HB3 ALA 62 -1.054 13.075 -2.552
Start of MODEL 3
1 H1 MET 1 HT1 MET 1 -7.575 -2.712 13.273
2 H2 MET 1 HT2 MET 1 -6.314 -3.562 14.009
3 H3 MET 1 HT3 MET 1 -7.281 -4.325 12.854
4 HA MET 1 HA MET 1 -6.488 -2.931 11.137
5 HB2 MET 1 HB2 MET 1 -4.775 -1.224 11.518
6 HB3 MET 1 HB1 MET 1 -6.166 -0.885 12.527
7 HG2 MET 1 HG2 MET 1 -4.859 -1.982 14.438
8 HG3 MET 1 HG1 MET 1 -3.455 -1.923 13.377
9 HE1 MET 1 HE1 MET 1 -4.111 0.969 11.853
10 HE2 MET 1 HE2 MET 1 -2.503 0.441 12.348
11 HE3 MET 1 HE3 MET 1 -3.108 2.017 12.858
12 H LYS 2 HN LYS 2 -5.360 -4.395 10.008
13 HA LYS 2 HA LYS 2 -2.987 -5.733 11.111
14 HB2 LYS 2 HB2 LYS 2 -3.834 -7.885 10.260
15 HB3 LYS 2 HB1 LYS 2 -4.953 -7.177 11.415
16 HG2 LYS 2 HG2 LYS 2 -6.342 -6.358 9.476
17 HG3 LYS 2 HG1 LYS 2 -5.293 -7.290 8.403
18 HD2 LYS 2 HD2 LYS 2 -7.028 -8.395 10.649
19 HD3 LYS 2 HD1 LYS 2 -7.347 -8.542 8.918
20 HE2 LYS 2 HE2 LYS 2 -5.378 -9.954 8.634
21 HE3 LYS 2 HE1 LYS 2 -4.910 -9.707 10.317
22 HZ1 LYS 2 HZ1 LYS 2 -7.343 -11.101 9.368
23 HZ2 LYS 2 HZ2 LYS 2 -6.955 -10.822 10.985
24 HZ3 LYS 2 HZ3 LYS 2 -5.975 -11.827 10.041
25 H LYS 3 HN LYS 3 -1.361 -6.063 9.558
26 HA LYS 3 HA LYS 3 -1.719 -4.591 7.044
27 HB2 LYS 3 HB2 LYS 3 0.704 -4.510 6.904
28 HB3 LYS 3 HB1 LYS 3 0.198 -4.003 8.511
29 HG2 LYS 3 HG2 LYS 3 0.870 -6.140 9.464
30 HG3 LYS 3 HG1 LYS 3 1.213 -6.785 7.856
31 HD2 LYS 3 HD2 LYS 3 2.964 -4.978 7.608
32 HD3 LYS 3 HD1 LYS 3 2.715 -4.585 9.312
33 HE2 LYS 3 HE2 LYS 3 3.475 -6.806 9.967
34 HE3 LYS 3 HE1 LYS 3 3.571 -7.315 8.279
35 HZ1 LYS 3 HZ1 LYS 3 5.254 -5.562 7.950
36 HZ2 LYS 3 HZ2 LYS 3 5.736 -6.766 9.036
37 HZ3 LYS 3 HZ3 LYS 3 5.234 -5.261 9.615
38 H ILE 4 HN ILE 4 -1.356 -5.446 5.047
39 HA ILE 4 HA ILE 4 -0.700 -8.326 4.720
40 HB ILE 4 HB ILE 4 -2.333 -6.518 2.886
41 HG12 ILE 4 HG12 ILE 4 -3.231 -8.810 4.672
42 HG13 ILE 4 HG11 ILE 4 -3.712 -7.118 4.787
43 HG21 ILE 4 HG21 ILE 4 -1.055 -8.174 1.567
44 HG22 ILE 4 HG22 ILE 4 -2.791 -8.448 1.451
45 HG23 ILE 4 HG23 ILE 4 -1.798 -9.483 2.490
46 HD11 ILE 4 HD11 ILE 4 -4.807 -7.365 2.555
47 HD12 ILE 4 HD12 ILE 4 -5.505 -8.350 3.845
48 HD13 ILE 4 HD13 ILE 4 -4.446 -9.092 2.647
49 HA PRO 5 HA PRO 5 2.926 -6.720 2.429
50 HB2 PRO 5 HB2 PRO 5 2.800 -9.325 0.942
51 HB3 PRO 5 HB1 PRO 5 4.125 -8.656 1.919
52 HG2 PRO 5 HG2 PRO 5 2.696 -10.724 2.826
53 HG3 PRO 5 HG1 PRO 5 3.224 -9.431 3.930
54 HD2 PRO 5 HD2 PRO 5 0.517 -9.804 2.639
55 HD3 PRO 5 HD1 PRO 5 0.889 -9.425 4.333
56 H LEU 6 HN LEU 6 3.081 -5.587 0.486
57 HA LEU 6 HA LEU 6 0.803 -4.775 -0.836
58 HB2 LEU 6 HB2 LEU 6 2.870 -3.471 -0.796
59 HB3 LEU 6 HB1 LEU 6 3.693 -4.675 -1.768
60 HG LEU 6 HG LEU 6 2.176 -4.146 -3.679
61 HD11 LEU 6 HD11 LEU 6 0.786 -2.139 -3.673
62 HD12 LEU 6 HD12 LEU 6 1.129 -1.892 -1.958
63 HD13 LEU 6 HD13 LEU 6 0.235 -3.319 -2.486
64 HD21 LEU 6 HD21 LEU 6 4.377 -3.080 -3.571
65 HD22 LEU 6 HD22 LEU 6 3.701 -1.728 -2.662
66 HD23 LEU 6 HD23 LEU 6 3.196 -2.019 -4.331
67 H SER 7 HN SER 7 3.348 -6.912 -2.066
68 HA SER 7 HA SER 7 2.361 -7.466 -4.590
69 HB2 SER 7 HB2 SER 7 3.817 -9.585 -4.373
70 HB3 SER 7 HB1 SER 7 4.620 -8.040 -4.106
71 HG SER 7 HG SER 7 4.288 -10.118 -2.401
72 H LYS 8 HN LYS 8 1.760 -9.252 -1.538
73 HA LYS 8 HA LYS 8 0.089 -11.258 -2.709
74 HB2 LYS 8 HB2 LYS 8 1.244 -11.659 -0.576
75 HB3 LYS 8 HB1 LYS 8 0.276 -10.409 0.210
76 HG2 LYS 8 HG2 LYS 8 -1.737 -11.688 -0.028
77 HG3 LYS 8 HG1 LYS 8 -0.971 -12.828 -1.132
78 HD2 LYS 8 HD2 LYS 8 0.436 -13.651 0.738
79 HD3 LYS 8 HD1 LYS 8 -0.397 -12.543 1.837
80 HE2 LYS 8 HE2 LYS 8 -2.527 -13.683 1.417
81 HE3 LYS 8 HE1 LYS 8 -1.764 -14.732 0.220
82 HZ1 LYS 8 HZ1 LYS 8 -1.175 -14.676 3.124
83 HZ2 LYS 8 HZ2 LYS 8 -0.386 -15.646 1.989
84 HZ3 LYS 8 HZ3 LYS 8 -2.036 -15.872 2.291
85 H TYR 9 HN TYR 9 -0.576 -8.144 -1.181
86 HA TYR 9 HA TYR 9 -3.389 -8.284 -0.974
87 HB2 TYR 9 HB2 TYR 9 -2.094 -6.556 0.205
88 HB3 TYR 9 HB1 TYR 9 -1.568 -5.861 -1.313
89 HD1 TYR 9 HD1 TYR 9 -4.356 -6.171 1.050
90 HD2 TYR 9 HD2 TYR 9 -3.151 -4.496 -2.705
91 HE1 TYR 9 HE1 TYR 9 -6.352 -4.770 1.024
92 HE2 TYR 9 HE2 TYR 9 -5.162 -3.093 -2.715
93 HH TYR 9 HH TYR 9 -7.183 -2.748 -0.001
94 H LEU 10 HN LEU 10 -1.241 -7.239 -3.568
95 HA LEU 10 HA LEU 10 -3.185 -6.226 -5.349
96 HB2 LEU 10 HB2 LEU 10 -0.373 -7.218 -5.898
97 HB3 LEU 10 HB1 LEU 10 -1.362 -6.313 -7.036
98 HG LEU 10 HG LEU 10 -0.323 -5.268 -4.375
99 HD11 LEU 10 HD11 LEU 10 1.473 -5.496 -5.991
100 HD12 LEU 10 HD12 LEU 10 1.126 -3.794 -5.697
101 HD13 LEU 10 HD13 LEU 10 0.562 -4.565 -7.182
102 HD21 LEU 10 HD21 LEU 10 -1.926 -3.766 -6.481
103 HD22 LEU 10 HD22 LEU 10 -1.231 -3.071 -5.013
104 HD23 LEU 10 HD23 LEU 10 -2.516 -4.269 -4.892
105 H GLU 11 HN GLU 11 -1.961 -9.425 -4.728
106 HA GLU 11 HA GLU 11 -3.220 -10.674 -7.038
107 HB2 GLU 11 HB2 GLU 11 -2.048 -11.946 -4.529
108 HB3 GLU 11 HB1 GLU 11 -2.476 -12.791 -6.016
109 HG2 GLU 11 HG2 GLU 11 -0.285 -10.731 -5.680
110 HG3 GLU 11 HG1 GLU 11 -0.066 -12.466 -5.852
111 H GLU 12 HN GLU 12 -4.005 -10.162 -3.622
112 HA GLU 12 HA GLU 12 -6.029 -12.292 -3.661
113 HB2 GLU 12 HB2 GLU 12 -4.254 -12.266 -1.898
114 HB3 GLU 12 HB1 GLU 12 -4.882 -10.737 -1.304
115 HG2 GLU 12 HG2 GLU 12 -5.671 -12.468 0.147
116 HG3 GLU 12 HG1 GLU 12 -7.047 -11.883 -0.784
117 H HIS 13 HN HIS 13 -5.798 -8.874 -2.535
118 HA HIS 13 HA HIS 13 -8.687 -8.868 -1.966
119 HB2 HIS 13 HB2 HIS 13 -6.349 -7.209 -1.034
120 HB3 HIS 13 HB1 HIS 13 -7.957 -6.518 -0.935
121 HD1 HIS 13 HD1 HIS 13 -8.920 -6.816 1.316
122 HD2 HIS 13 HD2 HIS 13 -6.451 -9.988 0.276
123 HE1 HIS 13 HE1 HIS 13 -8.922 -8.341 3.290
124 HE2 HIS 13 HE2 HIS 13 -7.657 -10.371 2.533
125 H GLY 14 HN GLY 14 -6.283 -6.871 -3.684
126 HA2 GLY 14 HA2 GLY 14 -8.272 -5.845 -5.528
127 HA3 GLY 14 HA1 GLY 14 -7.695 -4.668 -4.350
128 H THR 15 HN THR 15 -7.336 -4.456 -7.152
129 HA THR 15 HA THR 15 -4.652 -5.324 -7.879
130 HB THR 15 HB THR 15 -5.299 -4.095 -10.081
131 HG1 THR 15 HG1 THR 15 -7.973 -4.240 -9.211
132 HG21 THR 15 HG21 THR 15 -7.039 -6.410 -9.164
133 HG22 THR 15 HG22 THR 15 -5.447 -6.541 -9.907
134 HG23 THR 15 HG23 THR 15 -6.803 -5.910 -10.841
135 H GLN 16 HN GLN 16 -3.472 -3.500 -9.266
136 HA GLN 16 HA GLN 16 -2.487 -1.614 -7.388
137 HB2 GLN 16 HB2 GLN 16 -1.989 -1.763 -10.392
138 HB3 GLN 16 HB1 GLN 16 -1.109 -0.718 -9.289
139 HG2 GLN 16 HG2 GLN 16 0.335 -2.527 -9.620
140 HG3 GLN 16 HG1 GLN 16 -0.401 -2.865 -8.061
141 HE21 GLN 16 HE21 GLN 16 -1.953 -4.545 -7.936
142 HE22 GLN 16 HE22 GLN 16 -2.021 -5.792 -9.115
143 H SER 17 HN SER 17 -4.701 -1.425 -10.086
144 HA SER 17 HA SER 17 -5.159 1.381 -10.148
145 HB2 SER 17 HB2 SER 17 -7.016 -0.872 -11.014
146 HB3 SER 17 HB1 SER 17 -7.071 0.805 -11.565
147 HG SER 17 HG SER 17 -5.693 0.256 -13.035
148 H ALA 18 HN ALA 18 -6.851 -1.363 -8.630
149 HA ALA 18 HA ALA 18 -8.999 -0.001 -7.408
150 HB1 ALA 18 HB1 ALA 18 -8.923 -2.471 -7.680
151 HB2 ALA 18 HB2 ALA 18 -9.287 -2.001 -6.019
152 HB3 ALA 18 HB3 ALA 18 -7.665 -2.560 -6.440
153 H LEU 19 HN LEU 19 -5.736 -0.664 -6.346
154 HA LEU 19 HA LEU 19 -6.132 0.050 -3.604
155 HB2 LEU 19 HB2 LEU 19 -4.404 -1.569 -4.185
156 HB3 LEU 19 HB1 LEU 19 -3.593 -0.395 -5.210
157 HG LEU 19 HG LEU 19 -3.064 0.979 -3.200
158 HD11 LEU 19 HD11 LEU 19 -4.888 0.336 -1.705
159 HD12 LEU 19 HD12 LEU 19 -3.333 0.083 -0.922
160 HD13 LEU 19 HD13 LEU 19 -4.230 -1.296 -1.558
161 HD21 LEU 19 HD21 LEU 19 -2.054 -1.880 -3.075
162 HD22 LEU 19 HD22 LEU 19 -1.280 -0.479 -2.328
163 HD23 LEU 19 HD23 LEU 19 -1.412 -0.578 -4.081
164 H ALA 20 HN ALA 20 -4.479 1.553 -6.388
165 HA ALA 20 HA ALA 20 -3.779 4.051 -5.310
166 HB1 ALA 20 HB1 ALA 20 -2.957 3.224 -7.494
167 HB2 ALA 20 HB2 ALA 20 -3.669 4.830 -7.657
168 HB3 ALA 20 HB3 ALA 20 -4.572 3.406 -8.184
169 H ALA 21 HN ALA 21 -6.868 2.897 -6.636
170 HA ALA 21 HA ALA 21 -8.299 5.362 -6.625
171 HB1 ALA 21 HB1 ALA 21 -10.326 3.953 -6.772
172 HB2 ALA 21 HB2 ALA 21 -9.365 2.526 -6.375
173 HB3 ALA 21 HB3 ALA 21 -9.073 3.387 -7.884
174 H ALA 22 HN ALA 22 -7.799 2.812 -4.210
175 HA ALA 22 HA ALA 22 -9.525 3.893 -2.175
176 HB1 ALA 22 HB1 ALA 22 -7.345 1.794 -1.939
177 HB2 ALA 22 HB2 ALA 22 -9.040 1.473 -2.309
178 HB3 ALA 22 HB3 ALA 22 -8.587 2.130 -0.732
179 H LEU 23 HN LEU 23 -6.205 4.400 -3.121
180 HA LEU 23 HA LEU 23 -5.500 5.827 -0.652
181 HB2 LEU 23 HB2 LEU 23 -3.811 5.372 -3.140
182 HB3 LEU 23 HB1 LEU 23 -3.246 6.023 -1.608
183 HG LEU 23 HG LEU 23 -4.134 3.173 -2.171
184 HD11 LEU 23 HD11 LEU 23 -1.410 4.244 -1.405
185 HD12 LEU 23 HD12 LEU 23 -1.901 3.663 -2.997
186 HD13 LEU 23 HD13 LEU 23 -1.831 2.542 -1.640
187 HD21 LEU 23 HD21 LEU 23 -4.945 3.742 0.040
188 HD22 LEU 23 HD22 LEU 23 -3.363 4.374 0.505
189 HD23 LEU 23 HD23 LEU 23 -3.568 2.650 0.188
190 H GLY 24 HN GLY 24 -6.918 6.490 -3.668
191 HA2 GLY 24 HA2 GLY 24 -7.553 8.422 -4.739
192 HA3 GLY 24 HA1 GLY 24 -6.966 9.335 -3.355
193 H VAL 25 HN VAL 25 -4.713 7.189 -4.857
194 HA VAL 25 HA VAL 25 -3.206 9.462 -6.005
195 HB VAL 25 HB VAL 25 -1.160 8.250 -5.556
196 HG11 VAL 25 HG11 VAL 25 -2.936 8.017 -3.108
197 HG12 VAL 25 HG12 VAL 25 -2.136 9.497 -3.652
198 HG13 VAL 25 HG13 VAL 25 -1.175 8.121 -3.112
199 HG21 VAL 25 HG21 VAL 25 -1.831 5.936 -6.093
200 HG22 VAL 25 HG22 VAL 25 -2.845 5.867 -4.649
201 HG23 VAL 25 HG23 VAL 25 -1.093 5.992 -4.489
202 H ASN 26 HN ASN 26 -1.644 8.679 -7.787
203 HA ASN 26 HA ASN 26 -3.042 7.071 -9.791
204 HB2 ASN 26 HB2 ASN 26 -0.548 8.805 -9.881
205 HB3 ASN 26 HB1 ASN 26 -1.022 7.785 -11.236
206 HD21 ASN 26 HD21 ASN 26 -1.926 10.580 -9.304
207 HD22 ASN 26 HD22 ASN 26 -3.019 11.253 -10.451
208 H GLN 27 HN GLN 27 -1.826 5.396 -10.954
209 HA GLN 27 HA GLN 27 -0.683 3.439 -9.231
210 HB2 GLN 27 HB2 GLN 27 -0.981 3.603 -12.248
211 HB3 GLN 27 HB1 GLN 27 -0.245 2.213 -11.453
212 HG2 GLN 27 HG2 GLN 27 -2.359 1.846 -10.188
213 HG3 GLN 27 HG1 GLN 27 -3.084 3.203 -11.058
214 HE21 GLN 27 HE21 GLN 27 -1.761 -0.033 -11.414
215 HE22 GLN 27 HE22 GLN 27 -2.568 -0.409 -12.890
216 H SER 28 HN SER 28 0.740 6.065 -10.940
217 HA SER 28 HA SER 28 3.377 5.245 -11.405
218 HB2 SER 28 HB2 SER 28 3.918 7.694 -11.150
219 HB3 SER 28 HB1 SER 28 2.504 7.403 -12.164
220 HG SER 28 HG SER 28 2.680 8.564 -9.648
221 H ALA 29 HN ALA 29 1.825 6.460 -8.474
222 HA ALA 29 HA ALA 29 3.995 6.513 -6.655
223 HB1 ALA 29 HB1 ALA 29 1.782 7.553 -6.206
224 HB2 ALA 29 HB2 ALA 29 2.263 6.465 -4.910
225 HB3 ALA 29 HB3 ALA 29 1.049 5.947 -6.085
226 H ILE 30 HN ILE 30 1.550 3.993 -7.322
227 HA ILE 30 HA ILE 30 2.509 2.018 -5.556
228 HB ILE 30 HB ILE 30 1.030 1.470 -8.164
229 HG12 ILE 30 HG12 ILE 30 -0.212 3.164 -6.878
230 HG13 ILE 30 HG11 ILE 30 -1.084 1.639 -6.866
231 HG21 ILE 30 HG21 ILE 30 1.157 -0.192 -5.611
232 HG22 ILE 30 HG22 ILE 30 1.935 -0.579 -7.145
233 HG23 ILE 30 HG23 ILE 30 0.175 -0.571 -7.033
234 HD11 ILE 30 HD11 ILE 30 -1.206 2.711 -4.704
235 HD12 ILE 30 HD12 ILE 30 0.553 2.790 -4.604
236 HD13 ILE 30 HD13 ILE 30 -0.264 1.226 -4.573
237 H SER 31 HN SER 31 3.321 2.697 -8.919
238 HA SER 31 HA SER 31 4.892 0.404 -9.488
239 HB2 SER 31 HB2 SER 31 4.833 3.156 -10.807
240 HB3 SER 31 HB1 SER 31 5.632 1.736 -11.488
241 HG SER 31 HG SER 31 3.561 0.719 -11.539
242 H GLN 32 HN GLN 32 5.674 3.676 -8.305
243 HA GLN 32 HA GLN 32 8.497 3.471 -8.342
244 HB2 GLN 32 HB2 GLN 32 7.430 5.633 -8.186
245 HB3 GLN 32 HB1 GLN 32 6.620 5.202 -6.690
246 HG2 GLN 32 HG2 GLN 32 9.606 5.127 -6.605
247 HG3 GLN 32 HG1 GLN 32 8.893 6.721 -6.829
248 HE21 GLN 32 HE21 GLN 32 9.711 7.335 -4.761
249 HE22 GLN 32 HE22 GLN 32 8.962 6.815 -3.297
250 H MET 33 HN MET 33 6.106 2.626 -5.970
251 HA MET 33 HA MET 33 7.759 1.881 -3.777
252 HB2 MET 33 HB2 MET 33 4.928 1.039 -4.467
253 HB3 MET 33 HB1 MET 33 5.686 0.930 -2.885
254 HG2 MET 33 HG2 MET 33 5.861 3.681 -3.769
255 HG3 MET 33 HG1 MET 33 4.211 3.126 -3.997
256 HE1 MET 33 HE1 MET 33 4.095 0.906 -1.727
257 HE2 MET 33 HE2 MET 33 2.779 2.016 -2.148
258 HE3 MET 33 HE3 MET 33 3.284 1.843 -0.466
259 H VAL 34 HN VAL 34 6.369 0.138 -6.508
260 HA VAL 34 HA VAL 34 7.161 -2.506 -5.781
261 HB VAL 34 HB VAL 34 6.210 -1.234 -8.381
262 HG11 VAL 34 HG11 VAL 34 6.802 -4.197 -8.018
263 HG12 VAL 34 HG12 VAL 34 7.699 -3.074 -9.042
264 HG13 VAL 34 HG13 VAL 34 6.019 -3.450 -9.418
265 HG21 VAL 34 HG21 VAL 34 4.858 -3.224 -6.497
266 HG22 VAL 34 HG22 VAL 34 4.148 -2.544 -7.964
267 HG23 VAL 34 HG23 VAL 34 4.518 -1.494 -6.600
268 H ARG 35 HN ARG 35 8.582 -0.044 -7.937
269 HA ARG 35 HA ARG 35 10.788 -1.662 -8.835
270 HB2 ARG 35 HB2 ARG 35 10.336 1.338 -9.004
271 HB3 ARG 35 HB1 ARG 35 11.639 0.477 -9.819
272 HG2 ARG 35 HG2 ARG 35 10.006 -0.741 -11.192
273 HG3 ARG 35 HG1 ARG 35 8.680 0.038 -10.325
274 HD2 ARG 35 HD2 ARG 35 10.719 1.384 -12.129
275 HD3 ARG 35 HD1 ARG 35 8.997 1.160 -12.462
276 HE ARG 35 HE ARG 35 10.025 2.864 -10.256
277 HH11 ARG 35 HH11 ARG 35 7.792 2.459 -12.946
278 HH12 ARG 35 HH12 ARG 35 7.019 3.982 -12.657
279 HH21 ARG 35 HH21 ARG 35 8.971 4.816 -9.913
280 HH22 ARG 35 HH22 ARG 35 7.681 5.311 -10.951
281 H ALA 36 HN ALA 36 10.195 0.319 -6.047
282 HA ALA 36 HA ALA 36 12.855 0.928 -5.273
283 HB1 ALA 36 HB1 ALA 36 10.895 2.001 -4.226
284 HB2 ALA 36 HB2 ALA 36 11.921 1.248 -3.002
285 HB3 ALA 36 HB3 ALA 36 10.423 0.460 -3.505
286 H GLY 37 HN GLY 37 10.982 -2.006 -5.181
287 HA2 GLY 37 HA2 GLY 37 11.602 -4.190 -4.816
288 HA3 GLY 37 HA1 GLY 37 13.223 -3.650 -4.392
289 H ARG 38 HN ARG 38 10.864 -1.950 -2.683
290 HA ARG 38 HA ARG 38 11.437 -3.391 -0.191
291 HB2 ARG 38 HB2 ARG 38 10.489 -0.606 -0.887
292 HB3 ARG 38 HB1 ARG 38 10.035 -1.255 0.675
293 HG2 ARG 38 HG2 ARG 38 12.011 0.167 0.859
294 HG3 ARG 38 HG1 ARG 38 12.384 -1.490 1.319
295 HD2 ARG 38 HD2 ARG 38 13.001 -0.410 -1.446
296 HD3 ARG 38 HD1 ARG 38 14.127 -0.234 -0.097
297 HE ARG 38 HE ARG 38 13.274 -2.949 -0.492
298 HH11 ARG 38 HH11 ARG 38 16.750 -1.825 -2.108
299 HH12 ARG 38 HH12 ARG 38 15.642 -0.609 -1.566
300 HH21 ARG 38 HH21 ARG 38 16.230 -4.030 -1.959
301 HH22 ARG 38 HH22 ARG 38 14.708 -4.524 -1.291
302 H CYS 39 HN CYS 39 10.045 -4.882 0.496
303 HA CYS 39 HA CYS 39 7.409 -5.299 -0.455
304 HB2 CYS 39 HB2 CYS 39 8.631 -6.280 2.167
305 HB3 CYS 39 HB1 CYS 39 7.246 -6.978 1.326
306 HG CYS 39 HG CYS 39 9.439 -7.101 -0.931
307 H ILE 40 HN ILE 40 5.619 -4.153 0.023
308 HA ILE 40 HA ILE 40 5.829 -2.018 2.036
309 HB ILE 40 HB ILE 40 3.900 -2.318 -0.305
310 HG12 ILE 40 HG12 ILE 40 6.207 -1.947 -1.102
311 HG13 ILE 40 HG11 ILE 40 5.190 -0.553 -1.433
312 HG21 ILE 40 HG21 ILE 40 2.914 -1.027 1.530
313 HG22 ILE 40 HG22 ILE 40 3.197 -0.046 0.100
314 HG23 ILE 40 HG23 ILE 40 4.287 0.082 1.479
315 HD11 ILE 40 HD11 ILE 40 6.188 0.624 0.470
316 HD12 ILE 40 HD12 ILE 40 7.396 0.126 -0.715
317 HD13 ILE 40 HD13 ILE 40 7.220 -0.774 0.790
318 H ASP 41 HN ASP 41 4.250 -1.636 3.562
319 HA ASP 41 HA ASP 41 2.464 -3.871 4.250
320 HB2 ASP 41 HB2 ASP 41 2.945 -1.388 5.948
321 HB3 ASP 41 HB1 ASP 41 2.415 -2.984 6.469
322 H ILE 42 HN ILE 42 0.402 -3.767 3.568
323 HA ILE 42 HA ILE 42 -0.951 -1.168 3.149
324 HB ILE 42 HB ILE 42 -1.868 -3.956 2.280
325 HG12 ILE 42 HG12 ILE 42 0.161 -3.280 1.030
326 HG13 ILE 42 HG11 ILE 42 -1.243 -3.269 -0.029
327 HG21 ILE 42 HG21 ILE 42 -2.994 -1.206 1.601
328 HG22 ILE 42 HG22 ILE 42 -3.759 -2.419 2.627
329 HG23 ILE 42 HG23 ILE 42 -3.550 -2.733 0.904
330 HD11 ILE 42 HD11 ILE 42 0.069 -0.833 1.201
331 HD12 ILE 42 HD12 ILE 42 -1.343 -0.817 0.143
332 HD13 ILE 42 HD13 ILE 42 0.213 -1.368 -0.473
333 H GLU 43 HN GLU 43 -2.064 -0.495 4.862
334 HA GLU 43 HA GLU 43 -2.723 -2.175 7.078
335 HB2 GLU 43 HB2 GLU 43 -2.057 0.256 7.225
336 HB3 GLU 43 HB1 GLU 43 -3.622 0.681 6.549
337 HG2 GLU 43 HG2 GLU 43 -3.640 0.959 8.959
338 HG3 GLU 43 HG1 GLU 43 -4.752 -0.334 8.495
339 H LEU 44 HN LEU 44 -4.476 -3.323 7.356
340 HA LEU 44 HA LEU 44 -6.871 -2.955 5.664
341 HB2 LEU 44 HB2 LEU 44 -5.454 -5.373 6.691
342 HB3 LEU 44 HB1 LEU 44 -7.196 -5.464 6.756
343 HG LEU 44 HG LEU 44 -6.155 -6.482 4.709
344 HD11 LEU 44 HD11 LEU 44 -8.145 -4.251 4.211
345 HD12 LEU 44 HD12 LEU 44 -8.519 -5.894 4.735
346 HD13 LEU 44 HD13 LEU 44 -7.830 -5.619 3.136
347 HD21 LEU 44 HD21 LEU 44 -4.352 -4.820 4.335
348 HD22 LEU 44 HD22 LEU 44 -5.558 -3.610 3.887
349 HD23 LEU 44 HD23 LEU 44 -5.343 -5.054 2.897
350 H TYR 45 HN TYR 45 -8.331 -1.812 6.712
351 HA TYR 45 HA TYR 45 -8.975 -2.332 9.532
352 HB2 TYR 45 HB2 TYR 45 -10.135 -0.365 7.511
353 HB3 TYR 45 HB1 TYR 45 -10.643 -0.487 9.195
354 HD1 TYR 45 HD1 TYR 45 -8.858 -0.087 11.024
355 HD2 TYR 45 HD2 TYR 45 -8.255 1.042 6.935
356 HE1 TYR 45 HE1 TYR 45 -7.096 1.466 11.710
357 HE2 TYR 45 HE2 TYR 45 -6.485 2.609 7.635
358 HH TYR 45 HH TYR 45 -5.846 3.846 9.666
359 H THR 46 HN THR 46 -10.906 -3.328 10.146
360 HA THR 46 HA THR 46 -11.662 -5.505 8.498
361 HB THR 46 HB THR 46 -11.508 -5.665 10.984
362 HG1 THR 46 HG1 THR 46 -13.176 -6.878 9.449
363 HG21 THR 46 HG21 THR 46 -13.344 -4.841 12.411
364 HG22 THR 46 HG22 THR 46 -14.105 -4.081 11.013
365 HG23 THR 46 HG23 THR 46 -12.545 -3.495 11.593
366 H ASP 47 HN ASP 47 -12.986 -2.325 8.806
367 HA ASP 47 HA ASP 47 -15.685 -2.969 7.988
368 HB2 ASP 47 HB2 ASP 47 -16.142 -0.636 8.108
369 HB3 ASP 47 HB1 ASP 47 -15.009 -0.948 9.415
370 H GLY 48 HN GLY 48 -12.803 -2.936 6.316
371 HA2 GLY 48 HA2 GLY 48 -12.875 -3.837 4.070
372 HA3 GLY 48 HA1 GLY 48 -14.210 -2.752 3.712
373 H ARG 49 HN ARG 49 -12.468 -0.720 5.407
374 HA ARG 49 HA ARG 49 -11.336 0.571 3.083
375 HB2 ARG 49 HB2 ARG 49 -11.771 1.350 5.949
376 HB3 ARG 49 HB1 ARG 49 -10.543 2.236 5.060
377 HG2 ARG 49 HG2 ARG 49 -12.718 3.386 5.045
378 HG3 ARG 49 HG1 ARG 49 -12.181 2.972 3.417
379 HD2 ARG 49 HD2 ARG 49 -13.699 1.023 3.421
380 HD3 ARG 49 HD1 ARG 49 -14.248 1.454 5.044
381 HE ARG 49 HE ARG 49 -14.595 3.248 2.711
382 HH11 ARG 49 HH11 ARG 49 -15.952 1.643 5.539
383 HH12 ARG 49 HH12 ARG 49 -17.495 2.416 5.371
384 HH21 ARG 49 HH21 ARG 49 -17.875 3.888 3.643
385 HH22 ARG 49 HH22 ARG 49 -16.612 4.227 2.502
386 H VAL 50 HN VAL 50 -9.242 0.894 2.577
387 HA VAL 50 HA VAL 50 -7.121 -0.212 4.313
388 HB VAL 50 HB VAL 50 -5.870 -0.985 2.348
389 HG11 VAL 50 HG11 VAL 50 -7.376 -2.607 3.392
390 HG12 VAL 50 HG12 VAL 50 -7.270 -2.901 1.655
391 HG13 VAL 50 HG13 VAL 50 -8.694 -2.105 2.330
392 HG21 VAL 50 HG21 VAL 50 -6.621 0.647 0.662
393 HG22 VAL 50 HG22 VAL 50 -8.234 -0.068 0.651
394 HG23 VAL 50 HG23 VAL 50 -6.854 -0.996 0.060
395 H GLU 51 HN GLU 51 -5.114 0.794 4.113
396 HA GLU 51 HA GLU 51 -4.732 3.064 2.369
397 HB2 GLU 51 HB2 GLU 51 -4.365 4.734 4.070
398 HB3 GLU 51 HB1 GLU 51 -5.935 4.026 4.361
399 HG2 GLU 51 HG2 GLU 51 -5.088 4.248 6.507
400 HG3 GLU 51 HG1 GLU 51 -4.719 2.565 6.142
401 H CYS 52 HN CYS 52 -2.531 3.426 2.006
402 HA CYS 52 HA CYS 52 -0.671 1.482 3.202
403 HB2 CYS 52 HB2 CYS 52 -0.791 1.531 0.739
404 HB3 CYS 52 HB1 CYS 52 -0.320 3.231 0.739
405 HG CYS 52 HG CYS 52 1.640 0.790 2.094
406 H ARG 53 HN ARG 53 0.107 2.323 5.079
407 HA ARG 53 HA ARG 53 0.431 5.117 5.583
408 HB2 ARG 53 HB2 ARG 53 0.042 3.133 7.240
409 HB3 ARG 53 HB1 ARG 53 1.791 2.956 7.224
410 HG2 ARG 53 HG2 ARG 53 2.144 4.977 8.359
411 HG3 ARG 53 HG1 ARG 53 0.615 5.673 7.813
412 HD2 ARG 53 HD2 ARG 53 1.009 3.546 9.944
413 HD3 ARG 53 HD1 ARG 53 0.393 5.192 10.169
414 HE ARG 53 HE ARG 53 -1.165 3.668 8.310
415 HH11 ARG 53 HH11 ARG 53 -0.838 4.259 11.761
416 HH12 ARG 53 HH12 ARG 53 -2.462 3.767 12.092
417 HH21 ARG 53 HH21 ARG 53 -3.183 2.968 8.750
418 HH22 ARG 53 HH22 ARG 53 -3.812 3.022 10.363
419 H GLU 54 HN GLU 54 2.470 2.695 4.260
420 HA GLU 54 HA GLU 54 4.993 3.982 4.287
421 HB2 GLU 54 HB2 GLU 54 4.599 1.582 3.826
422 HB3 GLU 54 HB1 GLU 54 3.816 2.009 2.309
423 HG2 GLU 54 HG2 GLU 54 6.060 1.279 1.876
424 HG3 GLU 54 HG1 GLU 54 5.934 2.993 1.500
425 H LEU 55 HN LEU 55 2.137 4.334 2.256
426 HA LEU 55 HA LEU 55 3.561 5.913 0.232
427 HB2 LEU 55 HB2 LEU 55 2.217 3.891 -0.468
428 HB3 LEU 55 HB1 LEU 55 0.776 4.700 0.097
429 HG LEU 55 HG LEU 55 1.219 4.688 -2.448
430 HD11 LEU 55 HD11 LEU 55 0.718 7.402 -1.182
431 HD12 LEU 55 HD12 LEU 55 -0.494 6.148 -1.454
432 HD13 LEU 55 HD13 LEU 55 0.296 6.917 -2.827
433 HD21 LEU 55 HD21 LEU 55 2.722 6.425 -3.348
434 HD22 LEU 55 HD22 LEU 55 3.609 5.227 -2.405
435 HD23 LEU 55 HD23 LEU 55 3.260 6.813 -1.712
436 H ARG 56 HN ARG 56 3.677 7.856 1.215
437 HA ARG 56 HA ARG 56 1.272 9.335 1.980
438 HB2 ARG 56 HB2 ARG 56 4.196 10.188 1.749
439 HB3 ARG 56 HB1 ARG 56 2.899 11.275 2.220
440 HG2 ARG 56 HG2 ARG 56 4.127 10.553 4.187
441 HG3 ARG 56 HG1 ARG 56 2.487 9.909 4.254
442 HD2 ARG 56 HD2 ARG 56 3.231 7.708 3.709
443 HD3 ARG 56 HD1 ARG 56 4.823 8.273 3.218
444 HE ARG 56 HE ARG 56 3.828 7.946 5.958
445 HH11 ARG 56 HH11 ARG 56 7.712 8.537 5.092
446 HH12 ARG 56 HH12 ARG 56 6.519 8.724 3.845
447 HH21 ARG 56 HH21 ARG 56 5.426 7.661 7.583
448 HH22 ARG 56 HH22 ARG 56 7.094 7.935 7.197
449 HA PRO 57 HA PRO 57 0.443 10.754 -2.232
450 HB2 PRO 57 HB2 PRO 57 -0.743 13.206 -1.755
451 HB3 PRO 57 HB1 PRO 57 -1.560 11.660 -1.438
452 HG2 PRO 57 HG2 PRO 57 -0.090 13.438 0.498
453 HG3 PRO 57 HG1 PRO 57 -1.692 12.676 0.668
454 HD2 PRO 57 HD2 PRO 57 0.466 11.581 1.822
455 HD3 PRO 57 HD1 PRO 57 -0.789 10.554 1.094
456 H ASP 58 HN ASP 58 2.681 12.272 -0.197
457 HA ASP 58 HA ASP 58 3.558 14.460 -1.825
458 HB2 ASP 58 HB2 ASP 58 5.087 13.003 0.382
459 HB3 ASP 58 HB1 ASP 58 5.398 14.633 -0.207
460 H VAL 59 HN VAL 59 3.986 11.093 -2.005
461 HA VAL 59 HA VAL 59 6.510 10.622 -3.061
462 HB VAL 59 HB VAL 59 4.843 8.905 -2.357
463 HG11 VAL 59 HG11 VAL 59 3.073 8.159 -3.895
464 HG12 VAL 59 HG12 VAL 59 3.476 9.470 -5.004
465 HG13 VAL 59 HG13 VAL 59 2.845 9.836 -3.398
466 HG21 VAL 59 HG21 VAL 59 5.408 7.186 -4.053
467 HG22 VAL 59 HG22 VAL 59 6.806 8.178 -3.635
468 HG23 VAL 59 HG23 VAL 59 5.954 8.455 -5.154
469 H PHE 60 HN PHE 60 3.813 12.168 -4.553
470 HA PHE 60 HA PHE 60 4.383 11.848 -7.297
471 HB2 PHE 60 HB2 PHE 60 2.805 13.910 -5.720
472 HB3 PHE 60 HB1 PHE 60 2.932 13.979 -7.475
473 HD1 PHE 60 HD1 PHE 60 1.138 13.077 -8.651
474 HD2 PHE 60 HD2 PHE 60 2.109 11.376 -4.842
475 HE1 PHE 60 HE1 PHE 60 -0.759 11.541 -8.838
476 HE2 PHE 60 HE2 PHE 60 0.197 9.862 -5.046
477 HZ PHE 60 HZ PHE 60 -1.235 9.939 -7.042
478 H GLY 61 HN GLY 61 6.208 12.504 -8.244
479 HA2 GLY 61 HA2 GLY 61 7.826 13.916 -9.077
480 HA3 GLY 61 HA1 GLY 61 7.165 15.226 -8.109
481 H ALA 62 HN ALA 62 7.753 12.480 -6.215
482 HA ALA 62 HA ALA 62 10.273 13.595 -5.127
483 HB1 ALA 62 HB1 ALA 62 8.090 12.006 -3.718
484 HB2 ALA 62 HB2 ALA 62 8.326 13.745 -3.602
485 HB3 ALA 62 HB3 ALA 62 9.548 12.649 -2.946
Start of MODEL 4
1 H1 MET 1 HT1 MET 1 -4.850 -4.023 13.017
2 H2 MET 1 HT2 MET 1 -6.336 -4.823 12.995
3 H3 MET 1 HT3 MET 1 -6.279 -3.143 12.809
4 HA MET 1 HA MET 1 -6.692 -4.229 10.722
5 HB2 MET 1 HB2 MET 1 -4.945 -3.106 9.406
6 HB3 MET 1 HB1 MET 1 -5.461 -2.088 10.745
7 HG2 MET 1 HG2 MET 1 -2.915 -3.737 10.664
8 HG3 MET 1 HG1 MET 1 -3.031 -1.998 10.412
9 HE1 MET 1 HE1 MET 1 -0.987 -3.214 12.476
10 HE2 MET 1 HE2 MET 1 -1.238 -2.190 13.890
11 HE3 MET 1 HE3 MET 1 -1.208 -1.468 12.282
12 H LYS 2 HN LYS 2 -5.660 -5.403 8.891
13 HA LYS 2 HA LYS 2 -4.230 -7.817 9.808
14 HB2 LYS 2 HB2 LYS 2 -6.082 -7.440 7.411
15 HB3 LYS 2 HB1 LYS 2 -5.273 -8.948 7.841
16 HG2 LYS 2 HG2 LYS 2 -7.383 -7.508 9.497
17 HG3 LYS 2 HG1 LYS 2 -7.635 -8.966 8.525
18 HD2 LYS 2 HD2 LYS 2 -6.124 -10.245 9.979
19 HD3 LYS 2 HD1 LYS 2 -5.719 -8.791 10.897
20 HE2 LYS 2 HE2 LYS 2 -8.067 -8.630 11.654
21 HE3 LYS 2 HE1 LYS 2 -8.455 -10.097 10.754
22 HZ1 LYS 2 HZ1 LYS 2 -6.552 -9.887 13.019
23 HZ2 LYS 2 HZ2 LYS 2 -6.876 -11.295 12.147
24 HZ3 LYS 2 HZ3 LYS 2 -8.095 -10.578 13.070
25 H LYS 3 HN LYS 3 -2.168 -7.829 9.256
26 HA LYS 3 HA LYS 3 -1.056 -5.999 7.310
27 HB2 LYS 3 HB2 LYS 3 0.247 -8.062 9.139
28 HB3 LYS 3 HB1 LYS 3 1.127 -6.893 8.149
29 HG2 LYS 3 HG2 LYS 3 0.136 -5.038 9.406
30 HG3 LYS 3 HG1 LYS 3 -0.818 -6.174 10.375
31 HD2 LYS 3 HD2 LYS 3 1.248 -7.135 11.313
32 HD3 LYS 3 HD1 LYS 3 2.233 -6.081 10.292
33 HE2 LYS 3 HE2 LYS 3 1.313 -4.111 11.474
34 HE3 LYS 3 HE1 LYS 3 0.348 -5.180 12.494
35 HZ1 LYS 3 HZ1 LYS 3 3.310 -5.135 12.355
36 HZ2 LYS 3 HZ2 LYS 3 2.384 -6.152 13.332
37 HZ3 LYS 3 HZ3 LYS 3 2.367 -4.485 13.598
38 H ILE 4 HN ILE 4 -1.326 -6.586 5.223
39 HA ILE 4 HA ILE 4 -0.829 -9.382 4.355
40 HB ILE 4 HB ILE 4 -2.108 -7.149 2.726
41 HG12 ILE 4 HG12 ILE 4 -3.454 -9.305 4.404
42 HG13 ILE 4 HG11 ILE 4 -3.620 -7.555 4.573
43 HG21 ILE 4 HG21 ILE 4 -2.126 -10.138 2.199
44 HG22 ILE 4 HG22 ILE 4 -1.125 -8.958 1.356
45 HG23 ILE 4 HG23 ILE 4 -2.880 -8.892 1.189
46 HD11 ILE 4 HD11 ILE 4 -4.733 -7.487 2.379
47 HD12 ILE 4 HD12 ILE 4 -5.578 -8.492 3.552
48 HD13 ILE 4 HD13 ILE 4 -4.611 -9.247 2.288
49 HA PRO 5 HA PRO 5 2.982 -7.849 2.298
50 HB2 PRO 5 HB2 PRO 5 2.725 -10.328 0.628
51 HB3 PRO 5 HB1 PRO 5 4.052 -9.841 1.706
52 HG2 PRO 5 HG2 PRO 5 2.435 -11.857 2.397
53 HG3 PRO 5 HG1 PRO 5 3.018 -10.698 3.614
54 HD2 PRO 5 HD2 PRO 5 0.336 -10.727 2.206
55 HD3 PRO 5 HD1 PRO 5 0.663 -10.553 3.942
56 H LEU 6 HN LEU 6 3.323 -6.719 0.379
57 HA LEU 6 HA LEU 6 1.183 -5.596 -0.963
58 HB2 LEU 6 HB2 LEU 6 3.442 -4.606 -0.878
59 HB3 LEU 6 HB1 LEU 6 4.053 -5.863 -1.941
60 HG LEU 6 HG LEU 6 2.525 -4.984 -3.770
61 HD11 LEU 6 HD11 LEU 6 0.847 -3.879 -2.375
62 HD12 LEU 6 HD12 LEU 6 1.530 -2.760 -3.550
63 HD13 LEU 6 HD13 LEU 6 2.039 -2.682 -1.860
64 HD21 LEU 6 HD21 LEU 6 3.916 -3.066 -4.344
65 HD22 LEU 6 HD22 LEU 6 4.904 -4.361 -3.670
66 HD23 LEU 6 HD23 LEU 6 4.496 -2.959 -2.681
67 H SER 7 HN SER 7 3.437 -8.054 -2.227
68 HA SER 7 HA SER 7 2.355 -8.467 -4.746
69 HB2 SER 7 HB2 SER 7 3.733 -10.571 -3.021
70 HB3 SER 7 HB1 SER 7 3.713 -10.475 -4.788
71 HG SER 7 HG SER 7 4.847 -8.458 -4.558
72 H LYS 8 HN LYS 8 1.686 -10.187 -1.696
73 HA LYS 8 HA LYS 8 -0.071 -12.171 -2.652
74 HB2 LYS 8 HB2 LYS 8 1.074 -12.328 -0.476
75 HB3 LYS 8 HB1 LYS 8 0.202 -10.924 0.116
76 HG2 LYS 8 HG2 LYS 8 -0.739 -12.963 1.071
77 HG3 LYS 8 HG1 LYS 8 -1.925 -12.188 0.020
78 HD2 LYS 8 HD2 LYS 8 -1.995 -14.579 -0.377
79 HD3 LYS 8 HD1 LYS 8 -1.308 -13.802 -1.805
80 HE2 LYS 8 HE2 LYS 8 0.976 -14.412 -0.961
81 HE3 LYS 8 HE1 LYS 8 0.209 -15.276 0.373
82 HZ1 LYS 8 HZ1 LYS 8 -0.910 -16.676 -1.259
83 HZ2 LYS 8 HZ2 LYS 8 0.772 -16.780 -1.383
84 HZ3 LYS 8 HZ3 LYS 8 -0.103 -15.876 -2.510
85 H TYR 9 HN TYR 9 -0.638 -8.895 -1.415
86 HA TYR 9 HA TYR 9 -3.470 -8.969 -1.334
87 HB2 TYR 9 HB2 TYR 9 -2.191 -7.252 -0.092
88 HB3 TYR 9 HB1 TYR 9 -1.576 -6.579 -1.594
89 HD1 TYR 9 HD1 TYR 9 -4.617 -6.971 0.521
90 HD2 TYR 9 HD2 TYR 9 -2.952 -5.088 -2.960
91 HE1 TYR 9 HE1 TYR 9 -6.593 -5.578 0.320
92 HE2 TYR 9 HE2 TYR 9 -4.950 -3.687 -3.147
93 HH TYR 9 HH TYR 9 -7.322 -3.790 -2.469
94 H LEU 10 HN LEU 10 -1.126 -7.877 -3.780
95 HA LEU 10 HA LEU 10 -2.922 -6.698 -5.591
96 HB2 LEU 10 HB2 LEU 10 -0.140 -7.815 -6.054
97 HB3 LEU 10 HB1 LEU 10 -1.013 -6.829 -7.222
98 HG LEU 10 HG LEU 10 -0.038 -5.942 -4.479
99 HD11 LEU 10 HD11 LEU 10 1.764 -6.135 -6.080
100 HD12 LEU 10 HD12 LEU 10 1.451 -4.441 -5.703
101 HD13 LEU 10 HD13 LEU 10 0.889 -5.122 -7.234
102 HD21 LEU 10 HD21 LEU 10 -2.153 -4.831 -4.931
103 HD22 LEU 10 HD22 LEU 10 -1.581 -4.320 -6.522
104 HD23 LEU 10 HD23 LEU 10 -0.823 -3.683 -5.060
105 H GLU 11 HN GLU 11 -1.870 -10.004 -5.211
106 HA GLU 11 HA GLU 11 -2.902 -10.937 -7.737
107 HB2 GLU 11 HB2 GLU 11 -2.033 -12.518 -5.287
108 HB3 GLU 11 HB1 GLU 11 -2.360 -13.191 -6.883
109 HG2 GLU 11 HG2 GLU 11 -0.101 -11.301 -6.137
110 HG3 GLU 11 HG1 GLU 11 0.046 -13.013 -6.508
111 H GLU 12 HN GLU 12 -3.986 -11.074 -4.303
112 HA GLU 12 HA GLU 12 -6.312 -12.689 -5.132
113 HB2 GLU 12 HB2 GLU 12 -5.221 -12.200 -2.344
114 HB3 GLU 12 HB1 GLU 12 -6.572 -13.261 -2.746
115 HG2 GLU 12 HG2 GLU 12 -4.943 -14.610 -4.149
116 HG3 GLU 12 HG1 GLU 12 -3.646 -13.633 -3.452
117 H HIS 13 HN HIS 13 -5.633 -9.833 -3.031
118 HA HIS 13 HA HIS 13 -8.483 -9.712 -2.310
119 HB2 HIS 13 HB2 HIS 13 -6.123 -8.149 -1.192
120 HB3 HIS 13 HB1 HIS 13 -7.752 -8.156 -0.530
121 HD1 HIS 13 HD1 HIS 13 -8.260 -9.906 1.178
122 HD2 HIS 13 HD2 HIS 13 -4.766 -10.725 -0.916
123 HE1 HIS 13 HE1 HIS 13 -7.210 -11.858 2.346
124 HE2 HIS 13 HE2 HIS 13 -5.242 -12.474 0.900
125 H GLY 14 HN GLY 14 -6.287 -8.054 -4.368
126 HA2 GLY 14 HA2 GLY 14 -8.113 -6.526 -5.728
127 HA3 GLY 14 HA1 GLY 14 -7.579 -5.483 -4.411
128 H THR 15 HN THR 15 -7.128 -5.107 -7.254
129 HA THR 15 HA THR 15 -4.375 -5.896 -7.830
130 HB THR 15 HB THR 15 -4.814 -4.773 -10.031
131 HG1 THR 15 HG1 THR 15 -7.535 -4.498 -9.330
132 HG21 THR 15 HG21 THR 15 -6.971 -6.745 -9.197
133 HG22 THR 15 HG22 THR 15 -5.358 -7.160 -9.785
134 HG23 THR 15 HG23 THR 15 -6.507 -6.359 -10.857
135 H GLN 16 HN GLN 16 -3.272 -3.919 -9.181
136 HA GLN 16 HA GLN 16 -2.335 -2.119 -7.178
137 HB2 GLN 16 HB2 GLN 16 -1.835 -1.980 -10.189
138 HB3 GLN 16 HB1 GLN 16 -0.921 -1.131 -8.951
139 HG2 GLN 16 HG2 GLN 16 0.463 -2.936 -9.576
140 HG3 GLN 16 HG1 GLN 16 -0.242 -3.423 -8.044
141 HE21 GLN 16 HE21 GLN 16 -1.765 -5.132 -8.031
142 HE22 GLN 16 HE22 GLN 16 -1.939 -6.209 -9.367
143 H SER 17 HN SER 17 -4.588 -1.937 -9.842
144 HA SER 17 HA SER 17 -5.136 0.848 -9.831
145 HB2 SER 17 HB2 SER 17 -6.898 -1.457 -10.756
146 HB3 SER 17 HB1 SER 17 -7.065 0.238 -11.217
147 HG SER 17 HG SER 17 -4.573 -0.829 -11.676
148 H ALA 18 HN ALA 18 -6.719 -1.977 -8.318
149 HA ALA 18 HA ALA 18 -8.852 -0.653 -7.009
150 HB1 ALA 18 HB1 ALA 18 -8.774 -3.112 -7.379
151 HB2 ALA 18 HB2 ALA 18 -9.075 -2.703 -5.688
152 HB3 ALA 18 HB3 ALA 18 -7.466 -3.233 -6.192
153 H LEU 19 HN LEU 19 -5.547 -1.369 -6.103
154 HA LEU 19 HA LEU 19 -5.783 -0.807 -3.324
155 HB2 LEU 19 HB2 LEU 19 -4.041 -2.302 -4.147
156 HB3 LEU 19 HB1 LEU 19 -3.357 -1.032 -5.146
157 HG LEU 19 HG LEU 19 -2.639 0.200 -3.106
158 HD11 LEU 19 HD11 LEU 19 -4.366 -0.524 -1.536
159 HD12 LEU 19 HD12 LEU 19 -2.755 -0.811 -0.884
160 HD13 LEU 19 HD13 LEU 19 -3.698 -2.159 -1.526
161 HD21 LEU 19 HD21 LEU 19 -1.088 -1.365 -4.172
162 HD22 LEU 19 HD22 LEU 19 -1.681 -2.674 -3.144
163 HD23 LEU 19 HD23 LEU 19 -0.835 -1.298 -2.429
164 H ALA 20 HN ALA 20 -4.241 0.913 -6.050
165 HA ALA 20 HA ALA 20 -3.600 3.343 -4.809
166 HB1 ALA 20 HB1 ALA 20 -3.438 4.236 -7.093
167 HB2 ALA 20 HB2 ALA 20 -4.326 2.842 -7.722
168 HB3 ALA 20 HB3 ALA 20 -2.731 2.619 -7.004
169 H ALA 21 HN ALA 21 -6.655 2.285 -6.323
170 HA ALA 21 HA ALA 21 -8.041 4.740 -6.284
171 HB1 ALA 21 HB1 ALA 21 -10.094 3.405 -6.474
172 HB2 ALA 21 HB2 ALA 21 -9.203 1.945 -6.028
173 HB3 ALA 21 HB3 ALA 21 -8.835 2.773 -7.541
174 H ALA 22 HN ALA 22 -7.782 2.153 -3.864
175 HA ALA 22 HA ALA 22 -9.517 3.295 -1.914
176 HB1 ALA 22 HB1 ALA 22 -8.606 1.587 -0.403
177 HB2 ALA 22 HB2 ALA 22 -7.308 1.242 -1.550
178 HB3 ALA 22 HB3 ALA 22 -8.984 0.887 -1.981
179 H LEU 23 HN LEU 23 -6.003 3.403 -2.421
180 HA LEU 23 HA LEU 23 -5.360 4.835 -0.029
181 HB2 LEU 23 HB2 LEU 23 -3.725 4.536 -2.584
182 HB3 LEU 23 HB1 LEU 23 -3.108 5.083 -1.031
183 HG LEU 23 HG LEU 23 -4.103 2.281 -1.697
184 HD11 LEU 23 HD11 LEU 23 -1.902 2.740 -2.631
185 HD12 LEU 23 HD12 LEU 23 -1.802 1.560 -1.328
186 HD13 LEU 23 HD13 LEU 23 -1.306 3.230 -1.043
187 HD21 LEU 23 HD21 LEU 23 -3.374 1.643 0.582
188 HD22 LEU 23 HD22 LEU 23 -4.735 2.761 0.580
189 HD23 LEU 23 HD23 LEU 23 -3.112 3.351 0.960
190 H GLY 24 HN GLY 24 -6.511 5.759 -3.164
191 HA2 GLY 24 HA2 GLY 24 -7.145 7.785 -4.042
192 HA3 GLY 24 HA1 GLY 24 -6.691 8.568 -2.532
193 H VAL 25 HN VAL 25 -4.756 6.585 -4.700
194 HA VAL 25 HA VAL 25 -2.986 8.808 -5.467
195 HB VAL 25 HB VAL 25 -0.979 7.488 -5.052
196 HG11 VAL 25 HG11 VAL 25 -2.721 7.336 -2.579
197 HG12 VAL 25 HG12 VAL 25 -1.892 8.792 -3.152
198 HG13 VAL 25 HG13 VAL 25 -0.956 7.390 -2.633
199 HG21 VAL 25 HG21 VAL 25 -1.017 5.247 -3.969
200 HG22 VAL 25 HG22 VAL 25 -1.799 5.228 -5.550
201 HG23 VAL 25 HG23 VAL 25 -2.781 5.229 -4.084
202 H ASN 26 HN ASN 26 -1.394 7.966 -7.232
203 HA ASN 26 HA ASN 26 -2.861 6.448 -9.273
204 HB2 ASN 26 HB2 ASN 26 -0.201 7.935 -9.421
205 HB3 ASN 26 HB1 ASN 26 -0.990 7.161 -10.785
206 HD21 ASN 26 HD21 ASN 26 -2.835 8.137 -11.699
207 HD22 ASN 26 HD22 ASN 26 -3.295 9.759 -11.317
208 H GLN 27 HN GLN 27 -1.729 4.766 -10.504
209 HA GLN 27 HA GLN 27 -0.435 2.775 -8.912
210 HB2 GLN 27 HB2 GLN 27 -0.834 2.972 -11.930
211 HB3 GLN 27 HB1 GLN 27 -0.160 1.557 -11.116
212 HG2 GLN 27 HG2 GLN 27 -2.268 1.261 -9.869
213 HG3 GLN 27 HG1 GLN 27 -2.952 2.676 -10.667
214 HE21 GLN 27 HE21 GLN 27 -3.570 2.513 -12.845
215 HE22 GLN 27 HE22 GLN 27 -3.713 0.994 -13.655
216 H SER 28 HN SER 28 0.715 5.484 -10.711
217 HA SER 28 HA SER 28 3.383 4.981 -11.225
218 HB2 SER 28 HB2 SER 28 2.219 7.549 -10.033
219 HB3 SER 28 HB1 SER 28 3.709 7.410 -10.971
220 HG SER 28 HG SER 28 2.523 6.953 -12.771
221 H ALA 29 HN ALA 29 1.816 5.817 -8.133
222 HA ALA 29 HA ALA 29 4.097 5.830 -6.445
223 HB1 ALA 29 HB1 ALA 29 1.913 6.744 -5.760
224 HB2 ALA 29 HB2 ALA 29 2.481 5.529 -4.617
225 HB3 ALA 29 HB3 ALA 29 1.214 5.121 -5.780
226 H ILE 30 HN ILE 30 1.671 3.241 -7.016
227 HA ILE 30 HA ILE 30 2.745 1.339 -5.268
228 HB ILE 30 HB ILE 30 1.183 0.739 -7.836
229 HG12 ILE 30 HG12 ILE 30 -0.057 2.440 -6.575
230 HG13 ILE 30 HG11 ILE 30 -0.898 0.902 -6.435
231 HG21 ILE 30 HG21 ILE 30 2.099 -1.295 -6.812
232 HG22 ILE 30 HG22 ILE 30 0.342 -1.263 -6.634
233 HG23 ILE 30 HG23 ILE 30 1.376 -0.863 -5.260
234 HD11 ILE 30 HD11 ILE 30 -0.935 2.060 -4.344
235 HD12 ILE 30 HD12 ILE 30 0.819 2.225 -4.340
236 HD13 ILE 30 HD13 ILE 30 0.080 0.628 -4.175
237 H SER 31 HN SER 31 3.387 1.838 -8.733
238 HA SER 31 HA SER 31 5.074 -0.393 -9.213
239 HB2 SER 31 HB2 SER 31 5.017 2.299 -10.654
240 HB3 SER 31 HB1 SER 31 5.735 0.807 -11.270
241 HG SER 31 HG SER 31 3.046 0.838 -10.487
242 H GLN 32 HN GLN 32 5.796 3.001 -8.257
243 HA GLN 32 HA GLN 32 8.634 2.814 -8.365
244 HB2 GLN 32 HB2 GLN 32 7.368 4.967 -8.354
245 HB3 GLN 32 HB1 GLN 32 6.913 4.675 -6.678
246 HG2 GLN 32 HG2 GLN 32 9.424 4.659 -6.146
247 HG3 GLN 32 HG1 GLN 32 9.681 5.262 -7.777
248 HE21 GLN 32 HE21 GLN 32 8.911 7.383 -8.296
249 HE22 GLN 32 HE22 GLN 32 8.602 8.535 -7.051
250 H MET 33 HN MET 33 6.271 2.205 -5.845
251 HA MET 33 HA MET 33 7.963 1.805 -3.600
252 HB2 MET 33 HB2 MET 33 5.258 0.529 -4.133
253 HB3 MET 33 HB1 MET 33 6.012 0.798 -2.567
254 HG2 MET 33 HG2 MET 33 5.782 3.257 -2.885
255 HG3 MET 33 HG1 MET 33 5.094 2.961 -4.459
256 HE1 MET 33 HE1 MET 33 3.002 1.564 -0.641
257 HE2 MET 33 HE2 MET 33 4.722 1.965 -0.761
258 HE3 MET 33 HE3 MET 33 4.088 0.511 -1.548
259 H VAL 34 HN VAL 34 6.818 -0.258 -6.188
260 HA VAL 34 HA VAL 34 8.008 -2.724 -5.348
261 HB VAL 34 HB VAL 34 6.826 -1.739 -7.980
262 HG11 VAL 34 HG11 VAL 34 7.806 -4.563 -7.458
263 HG12 VAL 34 HG12 VAL 34 8.525 -3.406 -8.579
264 HG13 VAL 34 HG13 VAL 34 6.899 -4.014 -8.875
265 HG21 VAL 34 HG21 VAL 34 5.797 -3.782 -5.977
266 HG22 VAL 34 HG22 VAL 34 4.975 -3.287 -7.461
267 HG23 VAL 34 HG23 VAL 34 5.214 -2.124 -6.155
268 H ARG 35 HN ARG 35 9.029 -0.017 -7.454
269 HA ARG 35 HA ARG 35 11.360 -1.307 -8.544
270 HB2 ARG 35 HB2 ARG 35 10.673 1.661 -8.470
271 HB3 ARG 35 HB1 ARG 35 11.982 0.947 -9.408
272 HG2 ARG 35 HG2 ARG 35 9.003 0.606 -9.840
273 HG3 ARG 35 HG1 ARG 35 10.155 1.429 -10.888
274 HD2 ARG 35 HD2 ARG 35 11.259 -0.762 -11.331
275 HD3 ARG 35 HD1 ARG 35 10.034 -1.559 -10.331
276 HE ARG 35 HE ARG 35 9.276 0.021 -12.712
277 HH11 ARG 35 HH11 ARG 35 8.113 -3.785 -12.130
278 HH12 ARG 35 HH12 ARG 35 9.226 -3.064 -11.013
279 HH21 ARG 35 HH21 ARG 35 7.887 -0.969 -14.198
280 HH22 ARG 35 HH22 ARG 35 7.355 -2.598 -13.935
281 H ALA 36 HN ALA 36 10.691 0.324 -5.596
282 HA ALA 36 HA ALA 36 13.285 1.080 -4.757
283 HB1 ALA 36 HB1 ALA 36 11.226 1.835 -3.633
284 HB2 ALA 36 HB2 ALA 36 12.303 1.036 -2.484
285 HB3 ALA 36 HB3 ALA 36 10.891 0.180 -3.111
286 H GLY 37 HN GLY 37 11.808 -2.002 -5.214
287 HA2 GLY 37 HA2 GLY 37 12.630 -4.143 -5.027
288 HA3 GLY 37 HA1 GLY 37 14.115 -3.503 -4.337
289 H ARG 38 HN ARG 38 11.481 -2.245 -2.735
290 HA ARG 38 HA ARG 38 11.965 -3.891 -0.358
291 HB2 ARG 38 HB2 ARG 38 10.509 -1.228 -0.713
292 HB3 ARG 38 HB1 ARG 38 10.832 -2.016 0.830
293 HG2 ARG 38 HG2 ARG 38 12.967 -0.979 -1.080
294 HG3 ARG 38 HG1 ARG 38 12.377 -0.127 0.351
295 HD2 ARG 38 HD2 ARG 38 13.147 -2.139 1.723
296 HD3 ARG 38 HD1 ARG 38 13.951 -2.727 0.263
297 HE ARG 38 HE ARG 38 15.147 -0.477 0.311
298 HH11 ARG 38 HH11 ARG 38 14.126 -2.086 3.267
299 HH12 ARG 38 HH12 ARG 38 15.363 -1.349 4.231
300 HH21 ARG 38 HH21 ARG 38 16.855 0.097 3.287
301 HH22 ARG 38 HH22 ARG 38 16.761 0.471 1.595
302 H CYS 39 HN CYS 39 10.433 -5.292 0.369
303 HA CYS 39 HA CYS 39 7.890 -5.658 -0.944
304 HB2 CYS 39 HB2 CYS 39 9.119 -7.584 0.032
305 HB3 CYS 39 HB1 CYS 39 8.955 -6.882 1.640
306 HG CYS 39 HG CYS 39 6.530 -7.656 2.137
307 H ILE 40 HN ILE 40 6.033 -4.636 -0.425
308 HA ILE 40 HA ILE 40 6.068 -2.717 1.804
309 HB ILE 40 HB ILE 40 4.160 -2.824 -0.582
310 HG12 ILE 40 HG12 ILE 40 6.446 -2.419 -1.414
311 HG13 ILE 40 HG11 ILE 40 5.485 -0.955 -1.559
312 HG21 ILE 40 HG21 ILE 40 3.515 -0.568 0.062
313 HG22 ILE 40 HG22 ILE 40 4.636 -0.611 1.418
314 HG23 ILE 40 HG23 ILE 40 3.241 -1.687 1.394
315 HD11 ILE 40 HD11 ILE 40 6.590 -0.069 0.449
316 HD12 ILE 40 HD12 ILE 40 7.717 -0.446 -0.855
317 HD13 ILE 40 HD13 ILE 40 7.578 -1.532 0.525
318 H ASP 41 HN ASP 41 4.369 -2.640 3.311
319 HA ASP 41 HA ASP 41 2.651 -5.016 3.541
320 HB2 ASP 41 HB2 ASP 41 4.028 -4.351 5.504
321 HB3 ASP 41 HB1 ASP 41 3.219 -2.782 5.539
322 H ILE 42 HN ILE 42 0.421 -4.845 3.660
323 HA ILE 42 HA ILE 42 -0.881 -2.269 3.028
324 HB ILE 42 HB ILE 42 -1.678 -5.015 1.923
325 HG12 ILE 42 HG12 ILE 42 0.323 -4.184 0.740
326 HG13 ILE 42 HG11 ILE 42 -1.073 -4.120 -0.328
327 HG21 ILE 42 HG21 ILE 42 -2.928 -2.286 1.412
328 HG22 ILE 42 HG22 ILE 42 -3.654 -3.614 2.319
329 HG23 ILE 42 HG23 ILE 42 -3.375 -3.784 0.586
330 HD11 ILE 42 HD11 ILE 42 -1.237 -1.692 0.076
331 HD12 ILE 42 HD12 ILE 42 0.313 -2.175 -0.606
332 HD13 ILE 42 HD13 ILE 42 0.195 -1.786 1.108
333 H GLU 43 HN GLU 43 -1.810 -1.785 4.946
334 HA GLU 43 HA GLU 43 -2.802 -3.783 6.783
335 HB2 GLU 43 HB2 GLU 43 -2.792 -0.743 6.841
336 HB3 GLU 43 HB1 GLU 43 -3.451 -1.733 8.145
337 HG2 GLU 43 HG2 GLU 43 -1.306 -2.703 8.611
338 HG3 GLU 43 HG1 GLU 43 -0.585 -1.987 7.172
339 H LEU 44 HN LEU 44 -4.516 -4.801 6.081
340 HA LEU 44 HA LEU 44 -6.780 -3.634 4.720
341 HB2 LEU 44 HB2 LEU 44 -5.968 -5.833 4.055
342 HB3 LEU 44 HB1 LEU 44 -6.106 -6.435 5.697
343 HG LEU 44 HG LEU 44 -8.637 -6.189 5.499
344 HD11 LEU 44 HD11 LEU 44 -8.734 -4.543 3.696
345 HD12 LEU 44 HD12 LEU 44 -9.643 -5.993 3.278
346 HD13 LEU 44 HD13 LEU 44 -8.046 -5.716 2.563
347 HD21 LEU 44 HD21 LEU 44 -7.499 -8.360 5.204
348 HD22 LEU 44 HD22 LEU 44 -7.369 -8.049 3.466
349 HD23 LEU 44 HD23 LEU 44 -8.959 -8.227 4.224
350 H TYR 45 HN TYR 45 -8.515 -2.871 5.749
351 HA TYR 45 HA TYR 45 -9.009 -3.270 8.591
352 HB2 TYR 45 HB2 TYR 45 -10.461 -1.551 6.536
353 HB3 TYR 45 HB1 TYR 45 -10.736 -1.519 8.276
354 HD1 TYR 45 HD1 TYR 45 -8.671 -0.921 9.779
355 HD2 TYR 45 HD2 TYR 45 -8.844 -0.062 5.594
356 HE1 TYR 45 HE1 TYR 45 -6.913 0.774 10.046
357 HE2 TYR 45 HE2 TYR 45 -7.094 1.626 5.865
358 HH TYR 45 HH TYR 45 -6.176 3.067 7.673
359 H THR 46 HN THR 46 -11.151 -3.911 9.358
360 HA THR 46 HA THR 46 -11.974 -6.374 8.211
361 HB THR 46 HB THR 46 -13.270 -4.824 10.502
362 HG1 THR 46 HG1 THR 46 -11.829 -6.252 11.745
363 HG21 THR 46 HG21 THR 46 -14.652 -6.752 9.737
364 HG22 THR 46 HG22 THR 46 -13.965 -7.046 11.335
365 HG23 THR 46 HG23 THR 46 -13.254 -7.818 9.917
366 H ASP 47 HN ASP 47 -13.202 -3.112 7.858
367 HA ASP 47 HA ASP 47 -15.851 -3.875 6.956
368 HB2 ASP 47 HB2 ASP 47 -16.264 -1.558 6.614
369 HB3 ASP 47 HB1 ASP 47 -15.233 -1.622 8.038
370 H GLY 48 HN GLY 48 -12.726 -3.805 5.540
371 HA2 GLY 48 HA2 GLY 48 -12.494 -5.027 3.444
372 HA3 GLY 48 HA1 GLY 48 -13.866 -4.138 2.812
373 H ARG 49 HN ARG 49 -12.480 -1.724 4.349
374 HA ARG 49 HA ARG 49 -11.101 -0.551 2.146
375 HB2 ARG 49 HB2 ARG 49 -11.436 0.166 5.065
376 HB3 ARG 49 HB1 ARG 49 -10.272 1.064 4.097
377 HG2 ARG 49 HG2 ARG 49 -12.046 1.781 2.571
378 HG3 ARG 49 HG1 ARG 49 -13.235 0.840 3.484
379 HD2 ARG 49 HD2 ARG 49 -13.003 2.249 5.411
380 HD3 ARG 49 HD1 ARG 49 -11.556 3.027 4.761
381 HE ARG 49 HE ARG 49 -14.288 3.399 3.655
382 HH11 ARG 49 HH11 ARG 49 -11.494 6.302 3.884
383 HH12 ARG 49 HH12 ARG 49 -11.108 4.705 4.439
384 HH21 ARG 49 HH21 ARG 49 -14.776 5.509 2.942
385 HH22 ARG 49 HH22 ARG 49 -13.576 6.760 3.034
386 H VAL 50 HN VAL 50 -8.829 0.211 2.193
387 HA VAL 50 HA VAL 50 -6.941 -1.257 3.910
388 HB VAL 50 HB VAL 50 -5.345 -1.622 2.012
389 HG11 VAL 50 HG11 VAL 50 -7.987 -3.049 1.631
390 HG12 VAL 50 HG12 VAL 50 -6.722 -3.482 2.783
391 HG13 VAL 50 HG13 VAL 50 -6.412 -3.596 1.054
392 HG21 VAL 50 HG21 VAL 50 -7.669 -0.870 0.191
393 HG22 VAL 50 HG22 VAL 50 -6.118 -1.531 -0.337
394 HG23 VAL 50 HG23 VAL 50 -6.186 0.062 0.418
395 H GLU 51 HN GLU 51 -4.944 -0.217 4.192
396 HA GLU 51 HA GLU 51 -4.379 2.311 2.888
397 HB2 GLU 51 HB2 GLU 51 -5.744 2.942 4.880
398 HB3 GLU 51 HB1 GLU 51 -4.583 2.129 5.924
399 HG2 GLU 51 HG2 GLU 51 -2.829 3.713 5.251
400 HG3 GLU 51 HG1 GLU 51 -3.947 4.502 4.135
401 H CYS 52 HN CYS 52 -2.277 2.367 2.442
402 HA CYS 52 HA CYS 52 -0.447 0.412 3.630
403 HB2 CYS 52 HB2 CYS 52 -0.524 0.432 1.199
404 HB3 CYS 52 HB1 CYS 52 -0.226 2.167 1.155
405 HG CYS 52 HG CYS 52 1.999 -0.154 2.295
406 H ARG 53 HN ARG 53 0.973 1.045 5.118
407 HA ARG 53 HA ARG 53 1.207 3.709 6.108
408 HB2 ARG 53 HB2 ARG 53 1.421 1.566 7.438
409 HB3 ARG 53 HB1 ARG 53 2.992 1.309 6.691
410 HG2 ARG 53 HG2 ARG 53 3.835 3.378 7.752
411 HG3 ARG 53 HG1 ARG 53 2.241 3.662 8.461
412 HD2 ARG 53 HD2 ARG 53 4.079 1.315 9.053
413 HD3 ARG 53 HD1 ARG 53 3.756 2.686 10.118
414 HE ARG 53 HE ARG 53 1.354 1.295 9.400
415 HH11 ARG 53 HH11 ARG 53 3.221 0.142 12.758
416 HH12 ARG 53 HH12 ARG 53 4.084 1.085 11.596
417 HH21 ARG 53 HH21 ARG 53 0.256 0.064 10.953
418 HH22 ARG 53 HH22 ARG 53 1.072 -0.433 12.400
419 H GLU 54 HN GLU 54 3.270 1.571 4.172
420 HA GLU 54 HA GLU 54 5.536 3.296 4.002
421 HB2 GLU 54 HB2 GLU 54 5.464 0.756 3.669
422 HB3 GLU 54 HB1 GLU 54 4.845 1.080 2.057
423 HG2 GLU 54 HG2 GLU 54 7.180 0.735 1.810
424 HG3 GLU 54 HG1 GLU 54 6.930 2.468 1.634
425 H LEU 55 HN LEU 55 2.528 3.193 2.283
426 HA LEU 55 HA LEU 55 3.350 4.814 0.073
427 HB2 LEU 55 HB2 LEU 55 1.312 3.329 0.024
428 HB3 LEU 55 HB1 LEU 55 0.533 4.396 1.168
429 HG LEU 55 HG LEU 55 -0.205 4.666 -1.243
430 HD11 LEU 55 HD11 LEU 55 -0.277 7.095 -1.288
431 HD12 LEU 55 HD12 LEU 55 0.937 7.178 -0.016
432 HD13 LEU 55 HD13 LEU 55 -0.646 6.470 0.313
433 HD21 LEU 55 HD21 LEU 55 1.219 5.852 -2.830
434 HD22 LEU 55 HD22 LEU 55 1.947 4.325 -2.338
435 HD23 LEU 55 HD23 LEU 55 2.552 5.844 -1.669
436 H ARG 56 HN ARG 56 4.527 6.418 1.163
437 HA ARG 56 HA ARG 56 3.103 8.511 2.574
438 HB2 ARG 56 HB2 ARG 56 5.836 8.514 1.208
439 HB3 ARG 56 HB1 ARG 56 5.198 9.847 2.163
440 HG2 ARG 56 HG2 ARG 56 5.822 7.057 3.221
441 HG3 ARG 56 HG1 ARG 56 6.836 8.490 3.434
442 HD2 ARG 56 HD2 ARG 56 4.005 8.147 4.499
443 HD3 ARG 56 HD1 ARG 56 5.483 8.004 5.449
444 HE ARG 56 HE ARG 56 5.889 10.417 4.781
445 HH11 ARG 56 HH11 ARG 56 1.952 10.724 5.558
446 HH12 ARG 56 HH12 ARG 56 2.621 9.174 5.166
447 HH21 ARG 56 HH21 ARG 56 4.977 12.448 5.279
448 HH22 ARG 56 HH22 ARG 56 3.281 12.574 5.625
449 HA PRO 57 HA PRO 57 1.302 10.245 -1.285
450 HB2 PRO 57 HB2 PRO 57 1.256 12.718 0.453
451 HB3 PRO 57 HB1 PRO 57 -0.045 12.003 -0.527
452 HG2 PRO 57 HG2 PRO 57 -0.097 11.709 2.102
453 HG3 PRO 57 HG1 PRO 57 -0.508 10.332 1.051
454 HD2 PRO 57 HD2 PRO 57 2.068 10.861 2.534
455 HD3 PRO 57 HD1 PRO 57 1.175 9.336 2.338
456 H ASP 58 HN ASP 58 4.035 11.447 0.489
457 HA ASP 58 HA ASP 58 5.015 13.538 -1.097
458 HB2 ASP 58 HB2 ASP 58 5.757 13.002 1.222
459 HB3 ASP 58 HB1 ASP 58 6.567 11.558 0.626
460 H VAL 59 HN VAL 59 5.087 10.114 -1.579
461 HA VAL 59 HA VAL 59 7.218 9.513 -3.167
462 HB VAL 59 HB VAL 59 4.362 8.502 -3.078
463 HG11 VAL 59 HG11 VAL 59 6.454 7.398 -5.001
464 HG12 VAL 59 HG12 VAL 59 4.925 8.155 -5.445
465 HG13 VAL 59 HG13 VAL 59 4.927 6.606 -4.604
466 HG21 VAL 59 HG21 VAL 59 5.436 6.450 -2.178
467 HG22 VAL 59 HG22 VAL 59 5.918 7.875 -1.255
468 HG23 VAL 59 HG23 VAL 59 7.031 7.168 -2.429
469 H PHE 60 HN PHE 60 4.340 11.297 -4.206
470 HA PHE 60 HA PHE 60 5.746 12.173 -6.605
471 HB2 PHE 60 HB2 PHE 60 3.895 11.632 -8.144
472 HB3 PHE 60 HB1 PHE 60 4.583 10.185 -7.426
473 HD1 PHE 60 HD1 PHE 60 3.344 9.280 -5.282
474 HD2 PHE 60 HD2 PHE 60 1.553 11.873 -8.163
475 HE1 PHE 60 HE1 PHE 60 1.115 8.522 -4.586
476 HE2 PHE 60 HE2 PHE 60 -0.672 11.113 -7.454
477 HZ PHE 60 HZ PHE 60 -0.891 9.444 -5.671
478 H GLY 61 HN GLY 61 4.482 13.207 -3.968
479 HA2 GLY 61 HA2 GLY 61 3.537 15.159 -3.222
480 HA3 GLY 61 HA1 GLY 61 3.749 15.800 -4.850
481 H ALA 62 HN ALA 62 1.749 13.457 -3.103
482 HA ALA 62 HA ALA 62 -0.460 13.636 -4.942
483 HB1 ALA 62 HB1 ALA 62 -1.448 11.881 -3.557
484 HB2 ALA 62 HB2 ALA 62 -0.216 12.126 -2.316
485 HB3 ALA 62 HB3 ALA 62 0.240 11.498 -3.904
Start of MODEL 5
1 H1 MET 1 HT1 MET 1 -6.357 -2.183 13.258
2 H2 MET 1 HT2 MET 1 -5.978 -3.690 13.916
3 H3 MET 1 HT3 MET 1 -7.047 -3.581 12.613
4 HA MET 1 HA MET 1 -5.352 -2.813 11.170
5 HB2 MET 1 HB2 MET 1 -3.945 -1.513 12.557
6 HB3 MET 1 HB1 MET 1 -3.700 -2.813 13.714
7 HG2 MET 1 HG2 MET 1 -1.706 -2.213 12.268
8 HG3 MET 1 HG1 MET 1 -2.151 -3.921 12.281
9 HE1 MET 1 HE1 MET 1 -0.860 -3.465 8.608
10 HE2 MET 1 HE2 MET 1 -0.679 -4.360 10.118
11 HE3 MET 1 HE3 MET 1 -0.206 -2.663 10.035
12 H LYS 2 HN LYS 2 -4.902 -4.402 9.830
13 HA LYS 2 HA LYS 2 -4.243 -7.122 10.784
14 HB2 LYS 2 HB2 LYS 2 -6.170 -6.451 8.503
15 HB3 LYS 2 HB1 LYS 2 -5.725 -8.063 9.059
16 HG2 LYS 2 HG2 LYS 2 -6.823 -7.570 11.254
17 HG3 LYS 2 HG1 LYS 2 -7.316 -5.999 10.614
18 HD2 LYS 2 HD2 LYS 2 -9.171 -7.606 10.480
19 HD3 LYS 2 HD1 LYS 2 -8.662 -7.120 8.863
20 HE2 LYS 2 HE2 LYS 2 -7.559 -9.213 8.484
21 HE3 LYS 2 HE1 LYS 2 -7.685 -9.675 10.184
22 HZ1 LYS 2 HZ1 LYS 2 -10.087 -9.805 9.933
23 HZ2 LYS 2 HZ2 LYS 2 -9.315 -10.821 8.830
24 HZ3 LYS 2 HZ3 LYS 2 -9.972 -9.356 8.303
25 H LYS 3 HN LYS 3 -2.315 -7.638 9.935
26 HA LYS 3 HA LYS 3 -1.159 -5.917 7.904
27 HB2 LYS 3 HB2 LYS 3 0.952 -6.785 8.586
28 HB3 LYS 3 HB1 LYS 3 0.016 -6.525 10.048
29 HG2 LYS 3 HG2 LYS 3 -0.461 -8.969 10.137
30 HG3 LYS 3 HG1 LYS 3 0.562 -9.197 8.717
31 HD2 LYS 3 HD2 LYS 3 1.374 -8.341 11.508
32 HD3 LYS 3 HD1 LYS 3 1.922 -9.742 10.590
33 HE2 LYS 3 HE2 LYS 3 2.653 -6.834 10.136
34 HE3 LYS 3 HE1 LYS 3 3.717 -8.145 10.632
35 HZ1 LYS 3 HZ1 LYS 3 2.453 -7.778 7.967
36 HZ2 LYS 3 HZ2 LYS 3 3.293 -9.170 8.422
37 HZ3 LYS 3 HZ3 LYS 3 4.100 -7.688 8.347
38 H ILE 4 HN ILE 4 -0.831 -6.409 5.842
39 HA ILE 4 HA ILE 4 -1.012 -9.205 4.850
40 HB ILE 4 HB ILE 4 -2.175 -6.754 3.459
41 HG12 ILE 4 HG12 ILE 4 -3.551 -9.070 4.861
42 HG13 ILE 4 HG11 ILE 4 -3.726 -7.350 5.193
43 HG21 ILE 4 HG21 ILE 4 -2.238 -9.624 2.503
44 HG22 ILE 4 HG22 ILE 4 -1.253 -8.330 1.825
45 HG23 ILE 4 HG23 ILE 4 -3.008 -8.248 1.706
46 HD11 ILE 4 HD11 ILE 4 -5.681 -8.170 4.097
47 HD12 ILE 4 HD12 ILE 4 -4.730 -8.832 2.773
48 HD13 ILE 4 HD13 ILE 4 -4.837 -7.081 2.996
49 HA PRO 5 HA PRO 5 2.827 -7.936 2.689
50 HB2 PRO 5 HB2 PRO 5 2.323 -10.274 0.889
51 HB3 PRO 5 HB1 PRO 5 3.686 -9.981 1.989
52 HG2 PRO 5 HG2 PRO 5 1.845 -11.877 2.511
53 HG3 PRO 5 HG1 PRO 5 2.606 -10.935 3.818
54 HD2 PRO 5 HD2 PRO 5 -0.108 -10.517 2.533
55 HD3 PRO 5 HD1 PRO 5 0.320 -10.513 4.256
56 H LEU 6 HN LEU 6 3.121 -6.614 0.902
57 HA LEU 6 HA LEU 6 1.033 -5.347 -0.376
58 HB2 LEU 6 HB2 LEU 6 3.297 -4.412 -0.246
59 HB3 LEU 6 HB1 LEU 6 3.909 -5.667 -1.306
60 HG LEU 6 HG LEU 6 2.566 -4.708 -3.185
61 HD11 LEU 6 HD11 LEU 6 0.742 -3.679 -1.932
62 HD12 LEU 6 HD12 LEU 6 1.536 -2.495 -2.966
63 HD13 LEU 6 HD13 LEU 6 1.860 -2.501 -1.230
64 HD21 LEU 6 HD21 LEU 6 4.911 -4.054 -2.891
65 HD22 LEU 6 HD22 LEU 6 4.423 -2.721 -1.842
66 HD23 LEU 6 HD23 LEU 6 3.959 -2.722 -3.544
67 H SER 7 HN SER 7 3.153 -7.840 -1.693
68 HA SER 7 HA SER 7 2.101 -8.127 -4.243
69 HB2 SER 7 HB2 SER 7 3.214 -10.449 -4.057
70 HB3 SER 7 HB1 SER 7 4.242 -9.049 -3.736
71 HG SER 7 HG SER 7 4.100 -10.995 -2.179
72 H LYS 8 HN LYS 8 1.223 -9.831 -1.232
73 HA LYS 8 HA LYS 8 -0.540 -11.720 -2.411
74 HB2 LYS 8 HB2 LYS 8 0.623 -11.881 -0.119
75 HB3 LYS 8 HB1 LYS 8 -0.617 -10.792 0.496
76 HG2 LYS 8 HG2 LYS 8 -1.199 -13.110 1.002
77 HG3 LYS 8 HG1 LYS 8 -2.365 -12.432 -0.142
78 HD2 LYS 8 HD2 LYS 8 -0.891 -13.496 -1.995
79 HD3 LYS 8 HD1 LYS 8 -0.119 -14.403 -0.695
80 HE2 LYS 8 HE2 LYS 8 -2.218 -15.486 -0.141
81 HE3 LYS 8 HE1 LYS 8 -3.093 -14.446 -1.274
82 HZ1 LYS 8 HZ1 LYS 8 -1.099 -16.536 -1.929
83 HZ2 LYS 8 HZ2 LYS 8 -1.657 -15.409 -3.060
84 HZ3 LYS 8 HZ3 LYS 8 -2.736 -16.501 -2.350
85 H TYR 9 HN TYR 9 -1.034 -8.560 -0.930
86 HA TYR 9 HA TYR 9 -3.860 -8.476 -0.967
87 HB2 TYR 9 HB2 TYR 9 -2.433 -6.861 0.333
88 HB3 TYR 9 HB1 TYR 9 -1.899 -6.130 -1.170
89 HD1 TYR 9 HD1 TYR 9 -4.693 -6.391 1.250
90 HD2 TYR 9 HD2 TYR 9 -3.472 -4.734 -2.529
91 HE1 TYR 9 HE1 TYR 9 -6.650 -4.943 1.243
92 HE2 TYR 9 HE2 TYR 9 -5.463 -3.279 -2.506
93 HH TYR 9 HH TYR 9 -7.697 -3.259 -1.515
94 H LEU 10 HN LEU 10 -1.372 -7.546 -3.309
95 HA LEU 10 HA LEU 10 -3.112 -6.366 -5.224
96 HB2 LEU 10 HB2 LEU 10 -0.249 -7.340 -5.466
97 HB3 LEU 10 HB1 LEU 10 -1.089 -6.439 -6.721
98 HG LEU 10 HG LEU 10 -0.441 -5.395 -3.932
99 HD11 LEU 10 HD11 LEU 10 1.554 -5.580 -5.322
100 HD12 LEU 10 HD12 LEU 10 1.129 -3.894 -5.046
101 HD13 LEU 10 HD13 LEU 10 0.775 -4.647 -6.605
102 HD21 LEU 10 HD21 LEU 10 -1.759 -3.955 -6.249
103 HD22 LEU 10 HD22 LEU 10 -1.253 -3.223 -4.723
104 HD23 LEU 10 HD23 LEU 10 -2.532 -4.433 -4.732
105 H GLU 11 HN GLU 11 -2.436 -9.689 -4.563
106 HA GLU 11 HA GLU 11 -3.234 -10.645 -7.197
107 HB2 GLU 11 HB2 GLU 11 -3.068 -12.196 -4.562
108 HB3 GLU 11 HB1 GLU 11 -3.289 -12.893 -6.165
109 HG2 GLU 11 HG2 GLU 11 -1.035 -11.956 -6.809
110 HG3 GLU 11 HG1 GLU 11 -0.826 -11.477 -5.123
111 H GLU 12 HN GLU 12 -4.777 -10.586 -3.938
112 HA GLU 12 HA GLU 12 -7.208 -11.786 -5.149
113 HB2 GLU 12 HB2 GLU 12 -6.313 -11.794 -2.233
114 HB3 GLU 12 HB1 GLU 12 -7.700 -12.646 -2.906
115 HG2 GLU 12 HG2 GLU 12 -6.092 -13.977 -4.334
116 HG3 GLU 12 HG1 GLU 12 -4.774 -13.208 -3.449
117 H HIS 13 HN HIS 13 -6.156 -9.172 -2.988
118 HA HIS 13 HA HIS 13 -8.922 -8.565 -2.212
119 HB2 HIS 13 HB2 HIS 13 -6.276 -7.361 -1.287
120 HB3 HIS 13 HB1 HIS 13 -7.853 -6.965 -0.619
121 HD1 HIS 13 HD1 HIS 13 -8.812 -8.527 1.124
122 HD2 HIS 13 HD2 HIS 13 -5.260 -9.922 -0.522
123 HE1 HIS 13 HE1 HIS 13 -8.086 -10.413 2.603
124 HE2 HIS 13 HE2 HIS 13 -6.045 -11.364 1.482
125 H GLY 14 HN GLY 14 -6.520 -7.431 -4.430
126 HA2 GLY 14 HA2 GLY 14 -8.254 -5.719 -5.805
127 HA3 GLY 14 HA1 GLY 14 -7.297 -4.722 -4.712
128 H THR 15 HN THR 15 -7.125 -4.317 -7.411
129 HA THR 15 HA THR 15 -4.513 -5.341 -8.291
130 HB THR 15 HB THR 15 -4.929 -3.825 -10.270
131 HG1 THR 15 HG1 THR 15 -7.469 -3.272 -10.086
132 HG21 THR 15 HG21 THR 15 -7.242 -5.698 -9.664
133 HG22 THR 15 HG22 THR 15 -5.697 -6.165 -10.380
134 HG23 THR 15 HG23 THR 15 -6.789 -5.096 -11.260
135 H GLN 16 HN GLN 16 -3.133 -3.340 -9.267
136 HA GLN 16 HA GLN 16 -2.323 -1.703 -7.048
137 HB2 GLN 16 HB2 GLN 16 -1.442 -1.554 -9.971
138 HB3 GLN 16 HB1 GLN 16 -0.734 -0.611 -8.666
139 HG2 GLN 16 HG2 GLN 16 0.764 -2.398 -8.995
140 HG3 GLN 16 HG1 GLN 16 -0.146 -2.839 -7.553
141 HE21 GLN 16 HE21 GLN 16 -1.651 -4.560 -7.702
142 HE22 GLN 16 HE22 GLN 16 -1.589 -5.704 -8.985
143 H SER 17 HN SER 17 -4.273 -1.239 -9.937
144 HA SER 17 HA SER 17 -4.817 1.519 -9.769
145 HB2 SER 17 HB2 SER 17 -6.599 -0.757 -10.742
146 HB3 SER 17 HB1 SER 17 -6.885 0.955 -11.060
147 HG SER 17 HG SER 17 -4.883 0.999 -12.174
148 H ALA 18 HN ALA 18 -6.466 -1.308 -8.386
149 HA ALA 18 HA ALA 18 -8.575 0.004 -7.058
150 HB1 ALA 18 HB1 ALA 18 -7.248 -2.629 -6.319
151 HB2 ALA 18 HB2 ALA 18 -8.537 -2.432 -7.510
152 HB3 ALA 18 HB3 ALA 18 -8.853 -2.087 -5.808
153 H LEU 19 HN LEU 19 -5.315 -0.893 -6.047
154 HA LEU 19 HA LEU 19 -5.678 -0.336 -3.278
155 HB2 LEU 19 HB2 LEU 19 -3.927 -1.896 -4.002
156 HB3 LEU 19 HB1 LEU 19 -3.121 -0.625 -4.910
157 HG LEU 19 HG LEU 19 -2.617 0.565 -2.759
158 HD11 LEU 19 HD11 LEU 19 -4.454 -0.253 -1.369
159 HD12 LEU 19 HD12 LEU 19 -2.897 -0.542 -0.601
160 HD13 LEU 19 HD13 LEU 19 -3.758 -1.877 -1.370
161 HD21 LEU 19 HD21 LEU 19 -0.934 -0.905 -3.750
162 HD22 LEU 19 HD22 LEU 19 -1.582 -2.286 -2.861
163 HD23 LEU 19 HD23 LEU 19 -0.843 -0.939 -1.990
164 H ALA 20 HN ALA 20 -3.953 1.387 -5.888
165 HA ALA 20 HA ALA 20 -3.216 3.721 -4.503
166 HB1 ALA 20 HB1 ALA 20 -2.292 3.068 -6.686
167 HB2 ALA 20 HB2 ALA 20 -2.931 4.712 -6.733
168 HB3 ALA 20 HB3 ALA 20 -3.845 3.386 -7.460
169 H ALA 21 HN ALA 21 -6.193 2.995 -6.355
170 HA ALA 21 HA ALA 21 -7.430 5.527 -6.119
171 HB1 ALA 21 HB1 ALA 21 -9.521 4.354 -6.692
172 HB2 ALA 21 HB2 ALA 21 -8.738 2.798 -6.386
173 HB3 ALA 21 HB3 ALA 21 -8.188 3.819 -7.715
174 H ALA 22 HN ALA 22 -7.416 2.683 -4.017
175 HA ALA 22 HA ALA 22 -9.329 3.572 -2.101
176 HB1 ALA 22 HB1 ALA 22 -8.478 1.748 -0.689
177 HB2 ALA 22 HB2 ALA 22 -7.085 1.552 -1.760
178 HB3 ALA 22 HB3 ALA 22 -8.710 1.200 -2.349
179 H LEU 23 HN LEU 23 -5.843 3.994 -2.434
180 HA LEU 23 HA LEU 23 -5.506 5.286 0.160
181 HB2 LEU 23 HB2 LEU 23 -3.505 5.011 -2.130
182 HB3 LEU 23 HB1 LEU 23 -3.138 5.448 -0.468
183 HG LEU 23 HG LEU 23 -4.139 2.727 -1.399
184 HD11 LEU 23 HD11 LEU 23 -1.829 3.112 -2.083
185 HD12 LEU 23 HD12 LEU 23 -1.923 1.872 -0.836
186 HD13 LEU 23 HD13 LEU 23 -1.381 3.500 -0.419
187 HD21 LEU 23 HD21 LEU 23 -3.349 3.600 1.388
188 HD22 LEU 23 HD22 LEU 23 -3.722 1.946 0.892
189 HD23 LEU 23 HD23 LEU 23 -4.973 3.185 0.830
190 H GLY 24 HN GLY 24 -6.551 6.240 -2.910
191 HA2 GLY 24 HA2 GLY 24 -7.302 8.291 -3.652
192 HA3 GLY 24 HA1 GLY 24 -6.610 9.056 -2.234
193 H VAL 25 HN VAL 25 -4.498 7.054 -4.039
194 HA VAL 25 HA VAL 25 -3.023 9.401 -5.096
195 HB VAL 25 HB VAL 25 -0.962 8.191 -4.691
196 HG11 VAL 25 HG11 VAL 25 -1.957 9.350 -2.730
197 HG12 VAL 25 HG12 VAL 25 -0.966 7.970 -2.257
198 HG13 VAL 25 HG13 VAL 25 -2.727 7.831 -2.244
199 HG21 VAL 25 HG21 VAL 25 -0.876 5.901 -3.734
200 HG22 VAL 25 HG22 VAL 25 -1.674 5.913 -5.305
201 HG23 VAL 25 HG23 VAL 25 -2.638 5.794 -3.833
202 H ASN 26 HN ASN 26 -1.381 8.608 -6.842
203 HA ASN 26 HA ASN 26 -2.733 7.150 -8.996
204 HB2 ASN 26 HB2 ASN 26 -0.066 8.648 -8.893
205 HB3 ASN 26 HB1 ASN 26 -0.712 7.866 -10.332
206 HD21 ASN 26 HD21 ASN 26 -0.597 9.933 -11.370
207 HD22 ASN 26 HD22 ASN 26 -1.782 11.154 -11.067
208 H GLN 27 HN GLN 27 -1.546 5.409 -10.151
209 HA GLN 27 HA GLN 27 -0.546 3.378 -8.424
210 HB2 GLN 27 HB2 GLN 27 -0.436 3.549 -11.474
211 HB3 GLN 27 HB1 GLN 27 -0.026 2.110 -10.544
212 HG2 GLN 27 HG2 GLN 27 -2.329 1.965 -9.712
213 HG3 GLN 27 HG1 GLN 27 -2.758 3.431 -10.596
214 HE21 GLN 27 HE21 GLN 27 -2.820 3.346 -12.912
215 HE22 GLN 27 HE22 GLN 27 -2.967 1.840 -13.750
216 H SER 28 HN SER 28 1.049 5.946 -10.122
217 HA SER 28 HA SER 28 3.653 5.001 -10.396
218 HB2 SER 28 HB2 SER 28 2.725 7.840 -9.767
219 HB3 SER 28 HB1 SER 28 4.327 7.403 -10.369
220 HG SER 28 HG SER 28 3.175 6.416 -12.189
221 H ALA 29 HN ALA 29 2.051 6.392 -7.551
222 HA ALA 29 HA ALA 29 4.137 6.422 -5.659
223 HB1 ALA 29 HB1 ALA 29 1.226 5.663 -5.197
224 HB2 ALA 29 HB2 ALA 29 1.826 7.312 -5.316
225 HB3 ALA 29 HB3 ALA 29 2.367 6.285 -3.996
226 H ILE 30 HN ILE 30 1.843 3.815 -6.406
227 HA ILE 30 HA ILE 30 2.880 1.857 -4.679
228 HB ILE 30 HB ILE 30 1.449 1.339 -7.340
229 HG12 ILE 30 HG12 ILE 30 0.108 2.958 -6.093
230 HG13 ILE 30 HG11 ILE 30 -0.698 1.397 -6.051
231 HG21 ILE 30 HG21 ILE 30 1.555 -0.352 -4.813
232 HG22 ILE 30 HG22 ILE 30 2.374 -0.701 -6.338
233 HG23 ILE 30 HG23 ILE 30 0.612 -0.716 -6.259
234 HD11 ILE 30 HD11 ILE 30 0.869 2.670 -3.803
235 HD12 ILE 30 HD12 ILE 30 0.120 1.070 -3.744
236 HD13 ILE 30 HD13 ILE 30 -0.882 2.508 -3.929
237 H SER 31 HN SER 31 3.710 2.767 -8.001
238 HA SER 31 HA SER 31 5.345 0.507 -8.662
239 HB2 SER 31 HB2 SER 31 5.289 3.298 -9.932
240 HB3 SER 31 HB1 SER 31 5.964 1.833 -10.650
241 HG SER 31 HG SER 31 3.297 1.766 -9.811
242 H GLN 32 HN GLN 32 6.033 3.752 -7.300
243 HA GLN 32 HA GLN 32 8.888 3.585 -7.453
244 HB2 GLN 32 HB2 GLN 32 7.116 5.245 -5.588
245 HB3 GLN 32 HB1 GLN 32 8.864 5.415 -5.699
246 HG2 GLN 32 HG2 GLN 32 6.842 6.011 -7.868
247 HG3 GLN 32 HG1 GLN 32 7.797 7.174 -6.960
248 HE21 GLN 32 HE21 GLN 32 10.033 7.331 -7.407
249 HE22 GLN 32 HE22 GLN 32 10.692 6.812 -8.916
250 H MET 33 HN MET 33 6.502 2.715 -5.031
251 HA MET 33 HA MET 33 8.207 1.934 -2.898
252 HB2 MET 33 HB2 MET 33 5.374 1.081 -3.554
253 HB3 MET 33 HB1 MET 33 6.170 0.903 -1.994
254 HG2 MET 33 HG2 MET 33 6.309 3.693 -2.819
255 HG3 MET 33 HG1 MET 33 4.651 3.124 -2.916
256 HE1 MET 33 HE1 MET 33 4.664 0.870 -0.685
257 HE2 MET 33 HE2 MET 33 3.357 2.027 -0.970
258 HE3 MET 33 HE3 MET 33 3.992 1.797 0.663
259 H VAL 34 HN VAL 34 6.670 0.165 -5.539
260 HA VAL 34 HA VAL 34 7.475 -2.466 -4.821
261 HB VAL 34 HB VAL 34 6.375 -1.205 -7.371
262 HG11 VAL 34 HG11 VAL 34 7.065 -4.145 -7.039
263 HG12 VAL 34 HG12 VAL 34 7.835 -3.007 -8.148
264 HG13 VAL 34 HG13 VAL 34 6.144 -3.443 -8.374
265 HG21 VAL 34 HG21 VAL 34 5.195 -3.250 -5.448
266 HG22 VAL 34 HG22 VAL 34 4.380 -2.570 -6.860
267 HG23 VAL 34 HG23 VAL 34 4.800 -1.531 -5.499
268 H ARG 35 HN ARG 35 8.760 -0.125 -7.222
269 HA ARG 35 HA ARG 35 10.863 -1.916 -8.074
270 HB2 ARG 35 HB2 ARG 35 10.327 0.998 -8.789
271 HB3 ARG 35 HB1 ARG 35 11.572 0.002 -9.534
272 HG2 ARG 35 HG2 ARG 35 8.570 -0.345 -9.744
273 HG3 ARG 35 HG1 ARG 35 9.699 0.092 -11.026
274 HD2 ARG 35 HD2 ARG 35 9.429 -2.593 -9.640
275 HD3 ARG 35 HD1 ARG 35 9.075 -2.215 -11.328
276 HE ARG 35 HE ARG 35 11.640 -1.630 -11.320
277 HH11 ARG 35 HH11 ARG 35 10.099 -4.385 -9.774
278 HH12 ARG 35 HH12 ARG 35 11.499 -5.398 -9.899
279 HH21 ARG 35 HH21 ARG 35 13.506 -2.972 -11.437
280 HH22 ARG 35 HH22 ARG 35 13.425 -4.601 -10.841
281 H ALA 36 HN ALA 36 10.584 0.360 -5.524
282 HA ALA 36 HA ALA 36 13.359 0.964 -5.150
283 HB1 ALA 36 HB1 ALA 36 11.586 2.298 -4.084
284 HB2 ALA 36 HB2 ALA 36 12.690 1.650 -2.871
285 HB3 ALA 36 HB3 ALA 36 11.104 0.908 -3.109
286 H GLY 37 HN GLY 37 11.692 -1.959 -4.920
287 HA2 GLY 37 HA2 GLY 37 12.363 -4.063 -4.250
288 HA3 GLY 37 HA1 GLY 37 13.854 -3.371 -3.627
289 H ARG 38 HN ARG 38 11.119 -1.729 -2.537
290 HA ARG 38 HA ARG 38 11.454 -2.757 0.163
291 HB2 ARG 38 HB2 ARG 38 10.163 -0.329 -1.091
292 HB3 ARG 38 HB1 ARG 38 9.542 -0.864 0.461
293 HG2 ARG 38 HG2 ARG 38 11.187 0.931 0.711
294 HG3 ARG 38 HG1 ARG 38 11.703 -0.547 1.512
295 HD2 ARG 38 HD2 ARG 38 12.713 0.322 -1.213
296 HD3 ARG 38 HD1 ARG 38 13.517 0.734 0.297
297 HE ARG 38 HE ARG 38 13.683 -1.718 -1.117
298 HH11 ARG 38 HH11 ARG 38 14.666 -1.812 2.787
299 HH12 ARG 38 HH12 ARG 38 13.769 -0.457 2.184
300 HH21 ARG 38 HH21 ARG 38 14.754 -3.526 -0.255
301 HH22 ARG 38 HH22 ARG 38 15.221 -3.538 1.419
302 H CYS 39 HN CYS 39 10.360 -4.569 0.627
303 HA CYS 39 HA CYS 39 7.821 -5.286 -0.557
304 HB2 CYS 39 HB2 CYS 39 9.580 -6.964 0.115
305 HB3 CYS 39 HB1 CYS 39 9.321 -6.531 1.799
306 HG CYS 39 HG CYS 39 7.247 -8.016 2.220
307 H ILE 40 HN ILE 40 5.965 -4.324 0.116
308 HA ILE 40 HA ILE 40 6.057 -2.677 2.563
309 HB ILE 40 HB ILE 40 4.181 -2.492 0.146
310 HG12 ILE 40 HG12 ILE 40 6.565 -1.953 -0.411
311 HG13 ILE 40 HG11 ILE 40 5.478 -0.589 -0.617
312 HG21 ILE 40 HG21 ILE 40 4.502 -0.559 2.463
313 HG22 ILE 40 HG22 ILE 40 3.124 -1.624 2.177
314 HG23 ILE 40 HG23 ILE 40 3.480 -0.326 1.041
315 HD11 ILE 40 HD11 ILE 40 6.280 0.361 1.499
316 HD12 ILE 40 HD12 ILE 40 7.585 0.099 0.339
317 HD13 ILE 40 HD13 ILE 40 7.371 -1.017 1.685
318 H ASP 41 HN ASP 41 4.570 -2.932 4.186
319 HA ASP 41 HA ASP 41 2.664 -5.182 3.983
320 HB2 ASP 41 HB2 ASP 41 4.208 -5.105 5.933
321 HB3 ASP 41 HB1 ASP 41 3.558 -3.535 6.394
322 H ILE 42 HN ILE 42 0.615 -4.757 3.547
323 HA ILE 42 HA ILE 42 -0.453 -2.069 3.454
324 HB ILE 42 HB ILE 42 -1.689 -4.774 2.733
325 HG12 ILE 42 HG12 ILE 42 0.115 -4.091 1.201
326 HG13 ILE 42 HG11 ILE 42 -1.438 -3.990 0.382
327 HG21 ILE 42 HG21 ILE 42 -2.883 -2.003 2.309
328 HG22 ILE 42 HG22 ILE 42 -3.497 -3.252 3.394
329 HG23 ILE 42 HG23 ILE 42 -3.528 -3.509 1.651
330 HD11 ILE 42 HD11 ILE 42 0.146 -1.662 1.490
331 HD12 ILE 42 HD12 ILE 42 -1.430 -1.541 0.701
332 HD13 ILE 42 HD13 ILE 42 -0.032 -2.110 -0.205
333 H GLU 43 HN GLU 43 -1.509 -1.161 5.033
334 HA GLU 43 HA GLU 43 -2.337 -2.564 7.418
335 HB2 GLU 43 HB2 GLU 43 -1.243 -0.348 7.534
336 HB3 GLU 43 HB1 GLU 43 -2.542 0.364 6.587
337 HG2 GLU 43 HG2 GLU 43 -4.130 -0.059 8.425
338 HG3 GLU 43 HG1 GLU 43 -2.851 -0.829 9.359
339 H LEU 44 HN LEU 44 -4.008 -3.902 6.849
340 HA LEU 44 HA LEU 44 -6.418 -2.875 5.530
341 HB2 LEU 44 HB2 LEU 44 -5.677 -5.118 4.876
342 HB3 LEU 44 HB1 LEU 44 -5.663 -5.650 6.549
343 HG LEU 44 HG LEU 44 -8.181 -5.366 6.610
344 HD11 LEU 44 HD11 LEU 44 -8.452 -3.750 4.802
345 HD12 LEU 44 HD12 LEU 44 -9.426 -5.190 4.516
346 HD13 LEU 44 HD13 LEU 44 -7.913 -4.956 3.622
347 HD21 LEU 44 HD21 LEU 44 -7.176 -7.572 6.229
348 HD22 LEU 44 HD22 LEU 44 -7.182 -7.276 4.486
349 HD23 LEU 44 HD23 LEU 44 -8.708 -7.397 5.373
350 H TYR 45 HN TYR 45 -8.068 -2.107 6.678
351 HA TYR 45 HA TYR 45 -8.228 -2.337 9.571
352 HB2 TYR 45 HB2 TYR 45 -10.102 -0.993 7.571
353 HB3 TYR 45 HB1 TYR 45 -10.163 -0.802 9.317
354 HD1 TYR 45 HD1 TYR 45 -9.457 1.081 6.677
355 HD2 TYR 45 HD2 TYR 45 -7.383 -0.377 10.104
356 HE1 TYR 45 HE1 TYR 45 -7.905 2.959 6.518
357 HE2 TYR 45 HE2 TYR 45 -5.827 1.517 9.954
358 HH TYR 45 HH TYR 45 -5.015 3.048 8.013
359 H THR 46 HN THR 46 -10.083 -3.124 10.630
360 HA THR 46 HA THR 46 -10.819 -5.727 9.806
361 HB THR 46 HB THR 46 -12.305 -5.592 11.927
362 HG1 THR 46 HG1 THR 46 -12.626 -3.508 12.373
363 HG21 THR 46 HG21 THR 46 -10.040 -6.587 12.003
364 HG22 THR 46 HG22 THR 46 -10.379 -5.671 13.472
365 HG23 THR 46 HG23 THR 46 -9.335 -4.984 12.226
366 H ASP 47 HN ASP 47 -12.394 -2.630 9.379
367 HA ASP 47 HA ASP 47 -15.048 -3.669 8.901
368 HB2 ASP 47 HB2 ASP 47 -15.726 -1.443 8.460
369 HB3 ASP 47 HB1 ASP 47 -14.458 -1.265 9.662
370 H GLY 48 HN GLY 48 -12.173 -3.422 7.056
371 HA2 GLY 48 HA2 GLY 48 -12.080 -4.746 5.010
372 HA3 GLY 48 HA1 GLY 48 -13.623 -4.053 4.535
373 H ARG 49 HN ARG 49 -12.286 -1.387 5.758
374 HA ARG 49 HA ARG 49 -11.338 -0.333 3.267
375 HB2 ARG 49 HB2 ARG 49 -11.354 0.730 6.103
376 HB3 ARG 49 HB1 ARG 49 -10.437 1.576 4.871
377 HG2 ARG 49 HG2 ARG 49 -12.590 1.770 3.541
378 HG3 ARG 49 HG1 ARG 49 -13.429 1.139 4.963
379 HD2 ARG 49 HD2 ARG 49 -13.562 3.559 4.990
380 HD3 ARG 49 HD1 ARG 49 -12.503 3.042 6.304
381 HE ARG 49 HE ARG 49 -11.518 4.101 3.710
382 HH11 ARG 49 HH11 ARG 49 -9.824 4.983 7.261
383 HH12 ARG 49 HH12 ARG 49 -11.204 3.936 7.227
384 HH21 ARG 49 HH21 ARG 49 -9.740 5.481 3.774
385 HH22 ARG 49 HH22 ARG 49 -8.984 5.870 5.287
386 H VAL 50 HN VAL 50 -9.183 0.558 2.875
387 HA VAL 50 HA VAL 50 -6.970 -0.444 4.559
388 HB VAL 50 HB VAL 50 -5.528 -0.706 2.487
389 HG11 VAL 50 HG11 VAL 50 -7.872 -2.615 2.681
390 HG12 VAL 50 HG12 VAL 50 -6.386 -2.666 3.634
391 HG13 VAL 50 HG13 VAL 50 -6.323 -2.941 1.897
392 HG21 VAL 50 HG21 VAL 50 -6.626 -1.075 0.285
393 HG22 VAL 50 HG22 VAL 50 -6.844 0.574 0.870
394 HG23 VAL 50 HG23 VAL 50 -8.174 -0.579 0.981
395 H GLU 51 HN GLU 51 -5.420 1.035 4.936
396 HA GLU 51 HA GLU 51 -4.912 3.223 3.119
397 HB2 GLU 51 HB2 GLU 51 -6.755 4.067 4.628
398 HB3 GLU 51 HB1 GLU 51 -5.683 3.844 6.004
399 HG2 GLU 51 HG2 GLU 51 -4.152 5.523 5.132
400 HG3 GLU 51 HG1 GLU 51 -5.129 5.707 3.671
401 H CYS 52 HN CYS 52 -2.765 3.442 3.056
402 HA CYS 52 HA CYS 52 -1.211 1.663 4.783
403 HB2 CYS 52 HB2 CYS 52 -1.181 1.299 2.328
404 HB3 CYS 52 HB1 CYS 52 -0.519 2.914 2.094
405 HG CYS 52 HG CYS 52 1.036 0.264 3.610
406 H ARG 53 HN ARG 53 0.070 2.493 6.323
407 HA ARG 53 HA ARG 53 0.579 5.270 6.720
408 HB2 ARG 53 HB2 ARG 53 0.598 3.568 8.546
409 HB3 ARG 53 HB1 ARG 53 2.018 2.820 7.828
410 HG2 ARG 53 HG2 ARG 53 2.960 5.372 8.175
411 HG3 ARG 53 HG1 ARG 53 1.798 5.283 9.501
412 HD2 ARG 53 HD2 ARG 53 3.992 4.597 10.297
413 HD3 ARG 53 HD1 ARG 53 2.915 3.192 10.293
414 HE ARG 53 HE ARG 53 4.446 3.479 7.864
415 HH11 ARG 53 HH11 ARG 53 5.793 0.985 10.731
416 HH12 ARG 53 HH12 ARG 53 4.571 2.148 11.136
417 HH21 ARG 53 HH21 ARG 53 6.064 1.979 7.367
418 HH22 ARG 53 HH22 ARG 53 6.638 0.890 8.592
419 H GLU 54 HN GLU 54 2.363 2.614 5.254
420 HA GLU 54 HA GLU 54 4.858 3.920 4.882
421 HB2 GLU 54 HB2 GLU 54 4.360 1.406 4.924
422 HB3 GLU 54 HB1 GLU 54 3.827 1.588 3.256
423 HG2 GLU 54 HG2 GLU 54 6.131 0.789 3.371
424 HG3 GLU 54 HG1 GLU 54 6.048 2.370 2.601
425 H LEU 55 HN LEU 55 1.947 3.630 2.921
426 HA LEU 55 HA LEU 55 3.114 5.342 0.820
427 HB2 LEU 55 HB2 LEU 55 1.916 3.101 0.273
428 HB3 LEU 55 HB1 LEU 55 0.423 3.915 0.690
429 HG LEU 55 HG LEU 55 0.887 3.785 -1.787
430 HD11 LEU 55 HD11 LEU 55 0.293 6.077 -2.380
431 HD12 LEU 55 HD12 LEU 55 0.730 6.631 -0.760
432 HD13 LEU 55 HD13 LEU 55 -0.623 5.523 -0.979
433 HD21 LEU 55 HD21 LEU 55 2.604 5.174 -2.796
434 HD22 LEU 55 HD22 LEU 55 3.324 4.032 -1.675
435 HD23 LEU 55 HD23 LEU 55 3.144 5.723 -1.209
436 H ARG 56 HN ARG 56 3.054 7.152 2.271
437 HA ARG 56 HA ARG 56 0.498 8.432 2.799
438 HB2 ARG 56 HB2 ARG 56 3.375 9.404 2.985
439 HB3 ARG 56 HB1 ARG 56 1.980 10.420 3.360
440 HG2 ARG 56 HG2 ARG 56 1.311 8.928 5.163
441 HG3 ARG 56 HG1 ARG 56 2.619 7.808 4.771
442 HD2 ARG 56 HD2 ARG 56 4.277 9.514 5.371
443 HD3 ARG 56 HD1 ARG 56 2.982 10.666 5.693
444 HE ARG 56 HE ARG 56 2.469 9.569 7.671
445 HH11 ARG 56 HH11 ARG 56 5.029 7.804 6.025
446 HH12 ARG 56 HH12 ARG 56 5.427 6.855 7.422
447 HH21 ARG 56 HH21 ARG 56 4.262 7.148 9.383
448 HH22 ARG 56 HH22 ARG 56 2.982 8.316 9.479
449 HA PRO 57 HA PRO 57 -0.049 10.758 -1.179
450 HB2 PRO 57 HB2 PRO 57 -0.177 13.016 0.860
451 HB3 PRO 57 HB1 PRO 57 -1.167 12.758 -0.598
452 HG2 PRO 57 HG2 PRO 57 -2.155 12.095 1.754
453 HG3 PRO 57 HG1 PRO 57 -2.397 11.017 0.361
454 HD2 PRO 57 HD2 PRO 57 -0.580 10.667 2.718
455 HD3 PRO 57 HD1 PRO 57 -1.402 9.442 1.724
456 H ASP 58 HN ASP 58 2.220 11.700 1.336
457 HA ASP 58 HA ASP 58 3.589 13.789 -0.016
458 HB2 ASP 58 HB2 ASP 58 4.565 12.086 2.328
459 HB3 ASP 58 HB1 ASP 58 5.207 13.652 1.842
460 H VAL 59 HN VAL 59 3.804 10.398 -0.310
461 HA VAL 59 HA VAL 59 6.405 9.808 -0.994
462 HB VAL 59 HB VAL 59 3.717 8.698 -1.899
463 HG11 VAL 59 HG11 VAL 59 6.424 7.555 -2.735
464 HG12 VAL 59 HG12 VAL 59 5.201 8.234 -3.811
465 HG13 VAL 59 HG13 VAL 59 4.868 6.741 -2.934
466 HG21 VAL 59 HG21 VAL 59 4.401 6.762 -0.496
467 HG22 VAL 59 HG22 VAL 59 4.427 8.268 0.422
468 HG23 VAL 59 HG23 VAL 59 5.940 7.557 -0.144
469 H PHE 60 HN PHE 60 4.023 11.562 -2.924
470 HA PHE 60 HA PHE 60 6.090 12.408 -4.778
471 HB2 PHE 60 HB2 PHE 60 5.005 11.672 -6.829
472 HB3 PHE 60 HB1 PHE 60 5.368 10.284 -5.816
473 HD1 PHE 60 HD1 PHE 60 3.198 10.007 -3.991
474 HD2 PHE 60 HD2 PHE 60 3.072 11.272 -8.062
475 HE1 PHE 60 HE1 PHE 60 0.878 9.227 -4.162
476 HE2 PHE 60 HE2 PHE 60 0.747 10.491 -8.229
477 HZ PHE 60 HZ PHE 60 -0.347 9.475 -6.276
478 H GLY 61 HN GLY 61 3.849 13.348 -2.832
479 HA2 GLY 61 HA2 GLY 61 2.852 15.389 -2.526
480 HA3 GLY 61 HA1 GLY 61 3.401 15.884 -4.121
481 H ALA 62 HN ALA 62 1.097 13.678 -2.581
482 HA ALA 62 HA ALA 62 -0.895 14.159 -4.722
483 HB1 ALA 62 HB1 ALA 62 -0.572 11.767 -2.859
484 HB2 ALA 62 HB2 ALA 62 -0.141 11.818 -4.569
485 HB3 ALA 62 HB3 ALA 62 -1.833 11.952 -4.082
Start of MODEL 6
1 H1 MET 1 HT1 MET 1 -3.099 -4.585 13.193
2 H2 MET 1 HT2 MET 1 -4.619 -5.309 13.137
3 H3 MET 1 HT3 MET 1 -4.458 -3.675 12.766
4 HA MET 1 HA MET 1 -4.768 -4.995 10.787
5 HB2 MET 1 HB2 MET 1 -1.869 -4.045 10.815
6 HB3 MET 1 HB1 MET 1 -2.989 -4.063 9.455
7 HG2 MET 1 HG2 MET 1 -2.746 -1.794 10.138
8 HG3 MET 1 HG1 MET 1 -4.347 -2.318 10.657
9 HE1 MET 1 HE1 MET 1 -0.772 -1.924 13.574
10 HE2 MET 1 HE2 MET 1 -0.654 -1.551 11.856
11 HE3 MET 1 HE3 MET 1 -0.898 -3.218 12.379
12 H LYS 2 HN LYS 2 -4.379 -6.916 9.679
13 HA LYS 2 HA LYS 2 -2.207 -8.680 10.601
14 HB2 LYS 2 HB2 LYS 2 -3.353 -10.455 9.342
15 HB3 LYS 2 HB1 LYS 2 -4.480 -9.660 10.429
16 HG2 LYS 2 HG2 LYS 2 -5.322 -8.325 8.461
17 HG3 LYS 2 HG1 LYS 2 -4.299 -9.322 7.426
18 HD2 LYS 2 HD2 LYS 2 -6.602 -10.158 7.397
19 HD3 LYS 2 HD1 LYS 2 -5.542 -11.347 8.152
20 HE2 LYS 2 HE2 LYS 2 -6.326 -10.680 10.372
21 HE3 LYS 2 HE1 LYS 2 -7.302 -9.388 9.673
22 HZ1 LYS 2 HZ1 LYS 2 -7.714 -12.294 9.168
23 HZ2 LYS 2 HZ2 LYS 2 -8.676 -11.039 8.585
24 HZ3 LYS 2 HZ3 LYS 2 -8.620 -11.354 10.239
25 H LYS 3 HN LYS 3 -0.437 -9.087 9.315
26 HA LYS 3 HA LYS 3 0.077 -7.244 7.142
27 HB2 LYS 3 HB2 LYS 3 2.358 -8.150 7.119
28 HB3 LYS 3 HB1 LYS 3 1.865 -7.749 8.759
29 HG2 LYS 3 HG2 LYS 3 1.471 -10.126 9.255
30 HG3 LYS 3 HG1 LYS 3 1.901 -10.560 7.597
31 HD2 LYS 3 HD2 LYS 3 4.204 -9.684 7.977
32 HD3 LYS 3 HD1 LYS 3 3.766 -9.272 9.637
33 HE2 LYS 3 HE2 LYS 3 3.394 -11.655 10.141
34 HE3 LYS 3 HE1 LYS 3 3.779 -12.078 8.471
35 HZ1 LYS 3 HZ1 LYS 3 5.630 -10.891 10.471
36 HZ2 LYS 3 HZ2 LYS 3 6.016 -11.118 8.845
37 HZ3 LYS 3 HZ3 LYS 3 5.694 -12.448 9.830
38 H ILE 4 HN ILE 4 0.006 -7.655 5.032
39 HA ILE 4 HA ILE 4 -0.041 -10.442 4.023
40 HB ILE 4 HB ILE 4 -1.190 -7.960 2.680
41 HG12 ILE 4 HG12 ILE 4 -2.572 -10.279 4.072
42 HG13 ILE 4 HG11 ILE 4 -2.712 -8.561 4.440
43 HG21 ILE 4 HG21 ILE 4 -0.304 -9.538 1.011
44 HG22 ILE 4 HG22 ILE 4 -2.060 -9.412 0.915
45 HG23 ILE 4 HG23 ILE 4 -1.315 -10.816 1.686
46 HD11 ILE 4 HD11 ILE 4 -4.692 -9.321 3.367
47 HD12 ILE 4 HD12 ILE 4 -3.779 -9.984 2.018
48 HD13 ILE 4 HD13 ILE 4 -3.843 -8.235 2.269
49 HA PRO 5 HA PRO 5 3.865 -9.218 1.996
50 HB2 PRO 5 HB2 PRO 5 3.176 -11.357 -0.003
51 HB3 PRO 5 HB1 PRO 5 4.606 -11.225 1.044
52 HG2 PRO 5 HG2 PRO 5 2.715 -13.071 1.526
53 HG3 PRO 5 HG1 PRO 5 3.556 -12.243 2.861
54 HD2 PRO 5 HD2 PRO 5 0.813 -11.674 1.723
55 HD3 PRO 5 HD1 PRO 5 1.314 -11.758 3.422
56 H LEU 6 HN LEU 6 4.080 -7.583 0.500
57 HA LEU 6 HA LEU 6 2.076 -6.225 -0.740
58 HB2 LEU 6 HB2 LEU 6 4.329 -5.318 -0.538
59 HB3 LEU 6 HB1 LEU 6 4.957 -6.517 -1.653
60 HG LEU 6 HG LEU 6 3.607 -5.437 -3.500
61 HD11 LEU 6 HD11 LEU 6 1.846 -4.383 -2.190
62 HD12 LEU 6 HD12 LEU 6 2.695 -3.184 -3.165
63 HD13 LEU 6 HD13 LEU 6 3.020 -3.303 -1.432
64 HD21 LEU 6 HD21 LEU 6 5.979 -4.911 -3.184
65 HD22 LEU 6 HD22 LEU 6 5.553 -3.601 -2.082
66 HD23 LEU 6 HD23 LEU 6 5.085 -3.512 -3.782
67 H SER 7 HN SER 7 4.092 -8.740 -2.212
68 HA SER 7 HA SER 7 2.998 -8.814 -4.773
69 HB2 SER 7 HB2 SER 7 3.956 -11.203 -4.757
70 HB3 SER 7 HB1 SER 7 5.085 -9.903 -4.355
71 HG SER 7 HG SER 7 5.433 -11.055 -2.622
72 H LYS 8 HN LYS 8 2.175 -10.917 -1.948
73 HA LYS 8 HA LYS 8 0.203 -12.442 -3.304
74 HB2 LYS 8 HB2 LYS 8 0.955 -12.116 -0.398
75 HB3 LYS 8 HB1 LYS 8 -0.544 -12.952 -0.790
76 HG2 LYS 8 HG2 LYS 8 1.215 -14.569 -0.471
77 HG3 LYS 8 HG1 LYS 8 0.723 -14.570 -2.167
78 HD2 LYS 8 HD2 LYS 8 2.737 -13.008 -2.581
79 HD3 LYS 8 HD1 LYS 8 3.262 -13.429 -0.945
80 HE2 LYS 8 HE2 LYS 8 4.379 -14.855 -2.578
81 HE3 LYS 8 HE1 LYS 8 3.276 -15.829 -1.602
82 HZ1 LYS 8 HZ1 LYS 8 3.150 -16.343 -3.984
83 HZ2 LYS 8 HZ2 LYS 8 2.650 -14.763 -4.308
84 HZ3 LYS 8 HZ3 LYS 8 1.673 -15.785 -3.386
85 H TYR 9 HN TYR 9 -0.021 -9.370 -1.673
86 HA TYR 9 HA TYR 9 -2.877 -9.264 -1.581
87 HB2 TYR 9 HB2 TYR 9 -1.423 -7.715 -0.229
88 HB3 TYR 9 HB1 TYR 9 -0.918 -6.915 -1.716
89 HD1 TYR 9 HD1 TYR 9 -3.846 -7.626 0.478
90 HD2 TYR 9 HD2 TYR 9 -2.344 -5.257 -2.761
91 HE1 TYR 9 HE1 TYR 9 -5.846 -6.234 0.576
92 HE2 TYR 9 HE2 TYR 9 -4.359 -3.853 -2.656
93 HH TYR 9 HH TYR 9 -6.660 -4.020 -1.889
94 H LEU 10 HN LEU 10 -0.416 -8.027 -3.848
95 HA LEU 10 HA LEU 10 -2.211 -6.873 -5.725
96 HB2 LEU 10 HB2 LEU 10 0.675 -7.774 -6.079
97 HB3 LEU 10 HB1 LEU 10 -0.197 -6.717 -7.181
98 HG LEU 10 HG LEU 10 0.568 -6.059 -4.312
99 HD11 LEU 10 HD11 LEU 10 2.066 -4.385 -5.301
100 HD12 LEU 10 HD12 LEU 10 1.640 -4.953 -6.917
101 HD13 LEU 10 HD13 LEU 10 2.490 -6.023 -5.800
102 HD21 LEU 10 HD21 LEU 10 -0.897 -4.353 -6.330
103 HD22 LEU 10 HD22 LEU 10 -0.264 -3.791 -4.781
104 HD23 LEU 10 HD23 LEU 10 -1.544 -5.000 -4.820
105 H GLU 11 HN GLU 11 -1.143 -10.115 -5.234
106 HA GLU 11 HA GLU 11 -1.817 -11.113 -7.890
107 HB2 GLU 11 HB2 GLU 11 -1.021 -12.537 -5.308
108 HB3 GLU 11 HB1 GLU 11 -1.352 -13.372 -6.821
109 HG2 GLU 11 HG2 GLU 11 0.540 -12.318 -7.909
110 HG3 GLU 11 HG1 GLU 11 0.816 -11.279 -6.511
111 H GLU 12 HN GLU 12 -3.083 -11.428 -4.553
112 HA GLU 12 HA GLU 12 -5.352 -13.038 -5.583
113 HB2 GLU 12 HB2 GLU 12 -3.955 -13.184 -2.876
114 HB3 GLU 12 HB1 GLU 12 -5.286 -14.213 -3.400
115 HG2 GLU 12 HG2 GLU 12 -3.891 -15.234 -5.122
116 HG3 GLU 12 HG1 GLU 12 -2.574 -14.120 -4.769
117 H HIS 13 HN HIS 13 -4.449 -10.664 -3.056
118 HA HIS 13 HA HIS 13 -7.244 -10.451 -2.156
119 HB2 HIS 13 HB2 HIS 13 -4.649 -9.321 -1.038
120 HB3 HIS 13 HB1 HIS 13 -6.226 -8.968 -0.351
121 HD1 HIS 13 HD1 HIS 13 -7.004 -10.497 1.419
122 HD2 HIS 13 HD2 HIS 13 -4.009 -12.221 -0.891
123 HE1 HIS 13 HE1 HIS 13 -6.454 -12.662 2.542
124 HE2 HIS 13 HE2 HIS 13 -4.764 -13.758 1.045
125 H GLY 14 HN GLY 14 -5.605 -9.032 -4.601
126 HA2 GLY 14 HA2 GLY 14 -7.389 -7.000 -5.192
127 HA3 GLY 14 HA1 GLY 14 -6.122 -6.237 -4.228
128 H THR 15 HN THR 15 -6.016 -5.064 -6.398
129 HA THR 15 HA THR 15 -3.788 -6.256 -7.969
130 HB THR 15 HB THR 15 -4.547 -4.677 -9.832
131 HG1 THR 15 HG1 THR 15 -7.005 -4.291 -9.481
132 HG21 THR 15 HG21 THR 15 -6.591 -6.794 -9.071
133 HG22 THR 15 HG22 THR 15 -5.082 -7.099 -9.935
134 HG23 THR 15 HG23 THR 15 -6.337 -6.108 -10.679
135 H GLN 16 HN GLN 16 -2.525 -4.296 -9.050
136 HA GLN 16 HA GLN 16 -1.574 -2.521 -7.029
137 HB2 GLN 16 HB2 GLN 16 -1.172 -2.285 -10.053
138 HB3 GLN 16 HB1 GLN 16 -0.302 -1.358 -8.836
139 HG2 GLN 16 HG2 GLN 16 1.237 -3.024 -9.385
140 HG3 GLN 16 HG1 GLN 16 0.481 -3.679 -7.936
141 HE21 GLN 16 HE21 GLN 16 -0.937 -5.466 -8.159
142 HE22 GLN 16 HE22 GLN 16 -0.945 -6.445 -9.580
143 H SER 17 HN SER 17 -3.876 -2.285 -9.653
144 HA SER 17 HA SER 17 -4.598 0.407 -9.594
145 HB2 SER 17 HB2 SER 17 -6.359 -2.016 -10.165
146 HB3 SER 17 HB1 SER 17 -6.670 -0.361 -10.687
147 HG SER 17 HG SER 17 -4.219 -1.093 -11.491
148 H ALA 18 HN ALA 18 -5.957 -2.374 -7.812
149 HA ALA 18 HA ALA 18 -8.016 -0.985 -6.459
150 HB1 ALA 18 HB1 ALA 18 -7.991 -3.432 -6.763
151 HB2 ALA 18 HB2 ALA 18 -8.186 -2.985 -5.065
152 HB3 ALA 18 HB3 ALA 18 -6.620 -3.557 -5.655
153 H LEU 19 HN LEU 19 -4.707 -1.861 -5.588
154 HA LEU 19 HA LEU 19 -4.868 -1.148 -2.856
155 HB2 LEU 19 HB2 LEU 19 -3.120 -2.663 -3.707
156 HB3 LEU 19 HB1 LEU 19 -2.424 -1.361 -4.660
157 HG LEU 19 HG LEU 19 -1.768 -0.166 -2.583
158 HD11 LEU 19 HD11 LEU 19 -3.541 -0.885 -1.066
159 HD12 LEU 19 HD12 LEU 19 -1.953 -1.204 -0.375
160 HD13 LEU 19 HD13 LEU 19 -2.899 -2.530 -1.057
161 HD21 LEU 19 HD21 LEU 19 -0.184 -1.730 -3.604
162 HD22 LEU 19 HD22 LEU 19 -0.813 -3.042 -2.604
163 HD23 LEU 19 HD23 LEU 19 0.008 -1.672 -1.852
164 H ALA 20 HN ALA 20 -3.481 0.513 -5.684
165 HA ALA 20 HA ALA 20 -2.813 2.977 -4.534
166 HB1 ALA 20 HB1 ALA 20 -2.793 3.813 -6.837
167 HB2 ALA 20 HB2 ALA 20 -3.695 2.395 -7.387
168 HB3 ALA 20 HB3 ALA 20 -2.057 2.216 -6.749
169 H ALA 21 HN ALA 21 -5.903 1.847 -5.908
170 HA ALA 21 HA ALA 21 -7.299 4.314 -5.808
171 HB1 ALA 21 HB1 ALA 21 -9.323 2.976 -6.076
172 HB2 ALA 21 HB2 ALA 21 -8.427 1.503 -5.671
173 HB3 ALA 21 HB3 ALA 21 -8.046 2.400 -7.143
174 H ALA 22 HN ALA 22 -6.856 1.728 -3.437
175 HA ALA 22 HA ALA 22 -8.700 2.719 -1.483
176 HB1 ALA 22 HB1 ALA 22 -6.348 0.818 -1.151
177 HB2 ALA 22 HB2 ALA 22 -8.010 0.369 -1.525
178 HB3 ALA 22 HB3 ALA 22 -7.641 1.096 0.035
179 H LEU 23 HN LEU 23 -5.252 3.145 -2.088
180 HA LEU 23 HA LEU 23 -4.713 4.654 0.314
181 HB2 LEU 23 HB2 LEU 23 -3.036 4.380 -2.210
182 HB3 LEU 23 HB1 LEU 23 -2.477 4.973 -0.656
183 HG LEU 23 HG LEU 23 -3.250 2.120 -1.355
184 HD11 LEU 23 HD11 LEU 23 -1.023 2.791 -2.111
185 HD12 LEU 23 HD12 LEU 23 -0.933 1.581 -0.835
186 HD13 LEU 23 HD13 LEU 23 -0.596 3.276 -0.466
187 HD21 LEU 23 HD21 LEU 23 -4.084 2.544 0.876
188 HD22 LEU 23 HD22 LEU 23 -2.528 3.215 1.370
189 HD23 LEU 23 HD23 LEU 23 -2.660 1.503 0.962
190 H GLY 24 HN GLY 24 -5.913 5.408 -2.835
191 HA2 GLY 24 HA2 GLY 24 -6.603 7.384 -3.803
192 HA3 GLY 24 HA1 GLY 24 -6.108 8.251 -2.356
193 H VAL 25 HN VAL 25 -3.934 6.132 -4.028
194 HA VAL 25 HA VAL 25 -2.313 8.390 -5.053
195 HB VAL 25 HB VAL 25 -0.311 7.129 -4.621
196 HG11 VAL 25 HG11 VAL 25 -2.120 6.814 -2.200
197 HG12 VAL 25 HG12 VAL 25 -1.224 8.271 -2.643
198 HG13 VAL 25 HG13 VAL 25 -0.354 6.811 -2.178
199 HG21 VAL 25 HG21 VAL 25 -1.013 4.882 -5.283
200 HG22 VAL 25 HG22 VAL 25 -2.044 4.746 -3.859
201 HG23 VAL 25 HG23 VAL 25 -0.288 4.819 -3.674
202 H ASN 26 HN ASN 26 -0.933 7.746 -6.984
203 HA ASN 26 HA ASN 26 -2.386 6.109 -8.921
204 HB2 ASN 26 HB2 ASN 26 -1.322 8.280 -9.596
205 HB3 ASN 26 HB1 ASN 26 0.259 7.615 -9.204
206 HD21 ASN 26 HD21 ASN 26 1.089 7.812 -11.267
207 HD22 ASN 26 HD22 ASN 26 0.531 6.890 -12.622
208 H GLN 27 HN GLN 27 -1.402 4.319 -10.032
209 HA GLN 27 HA GLN 27 -0.251 2.339 -8.417
210 HB2 GLN 27 HB2 GLN 27 -0.321 2.461 -11.465
211 HB3 GLN 27 HB1 GLN 27 0.066 1.027 -10.522
212 HG2 GLN 27 HG2 GLN 27 -2.196 1.050 -9.552
213 HG3 GLN 27 HG1 GLN 27 -2.605 2.458 -10.537
214 HE21 GLN 27 HE21 GLN 27 -2.849 2.174 -12.809
215 HE22 GLN 27 HE22 GLN 27 -3.007 0.608 -13.522
216 H SER 28 HN SER 28 1.287 4.822 -10.290
217 HA SER 28 HA SER 28 3.826 3.908 -10.804
218 HB2 SER 28 HB2 SER 28 4.503 6.358 -10.458
219 HB3 SER 28 HB1 SER 28 3.146 6.098 -11.558
220 HG SER 28 HG SER 28 3.228 7.389 -9.141
221 H ALA 29 HN ALA 29 2.576 5.265 -7.773
222 HA ALA 29 HA ALA 29 4.807 5.074 -6.102
223 HB1 ALA 29 HB1 ALA 29 2.751 6.208 -5.487
224 HB2 ALA 29 HB2 ALA 29 3.124 4.968 -4.291
225 HB3 ALA 29 HB3 ALA 29 1.865 4.693 -5.497
226 H ILE 30 HN ILE 30 2.198 2.691 -6.571
227 HA ILE 30 HA ILE 30 3.100 0.752 -4.752
228 HB ILE 30 HB ILE 30 1.429 0.255 -7.276
229 HG12 ILE 30 HG12 ILE 30 0.390 2.104 -6.091
230 HG13 ILE 30 HG11 ILE 30 -0.588 0.670 -5.830
231 HG21 ILE 30 HG21 ILE 30 1.483 -1.262 -4.644
232 HG22 ILE 30 HG22 ILE 30 2.141 -1.824 -6.186
233 HG23 ILE 30 HG23 ILE 30 0.403 -1.584 -5.999
234 HD11 ILE 30 HD11 ILE 30 1.292 1.963 -3.855
235 HD12 ILE 30 HD12 ILE 30 0.424 0.450 -3.575
236 HD13 ILE 30 HD13 ILE 30 -0.469 1.948 -3.823
237 H SER 31 HN SER 31 3.695 1.161 -8.227
238 HA SER 31 HA SER 31 5.056 -1.326 -8.635
239 HB2 SER 31 HB2 SER 31 3.846 -0.210 -10.451
240 HB3 SER 31 HB1 SER 31 4.900 1.204 -10.341
241 HG SER 31 HG SER 31 6.277 0.197 -11.563
242 H GLN 32 HN GLN 32 6.125 2.032 -7.887
243 HA GLN 32 HA GLN 32 8.934 1.469 -8.190
244 HB2 GLN 32 HB2 GLN 32 7.425 3.681 -6.729
245 HB3 GLN 32 HB1 GLN 32 9.183 3.590 -6.729
246 HG2 GLN 32 HG2 GLN 32 7.451 3.845 -9.196
247 HG3 GLN 32 HG1 GLN 32 8.313 5.168 -8.412
248 HE21 GLN 32 HE21 GLN 32 10.579 5.263 -8.619
249 HE22 GLN 32 HE22 GLN 32 11.435 4.359 -9.815
250 H MET 33 HN MET 33 6.625 1.111 -5.583
251 HA MET 33 HA MET 33 8.407 0.438 -3.450
252 HB2 MET 33 HB2 MET 33 5.485 -0.240 -3.924
253 HB3 MET 33 HB1 MET 33 6.338 -0.489 -2.406
254 HG2 MET 33 HG2 MET 33 6.625 2.281 -3.325
255 HG3 MET 33 HG1 MET 33 4.933 1.833 -3.166
256 HE1 MET 33 HE1 MET 33 5.271 -0.385 -0.822
257 HE2 MET 33 HE2 MET 33 3.940 0.778 -0.968
258 HE3 MET 33 HE3 MET 33 4.832 0.635 0.563
259 H VAL 34 HN VAL 34 6.756 -1.415 -5.965
260 HA VAL 34 HA VAL 34 7.622 -4.031 -5.264
261 HB VAL 34 HB VAL 34 6.648 -2.778 -7.874
262 HG11 VAL 34 HG11 VAL 34 7.200 -5.728 -7.428
263 HG12 VAL 34 HG12 VAL 34 8.075 -4.656 -8.525
264 HG13 VAL 34 HG13 VAL 34 6.378 -5.031 -8.828
265 HG21 VAL 34 HG21 VAL 34 5.285 -4.694 -5.954
266 HG22 VAL 34 HG22 VAL 34 4.573 -4.039 -7.431
267 HG23 VAL 34 HG23 VAL 34 4.970 -2.965 -6.088
268 H ARG 35 HN ARG 35 8.948 -1.541 -7.444
269 HA ARG 35 HA ARG 35 11.135 -3.157 -8.430
270 HB2 ARG 35 HB2 ARG 35 10.512 -0.185 -8.785
271 HB3 ARG 35 HB1 ARG 35 11.800 -1.043 -9.634
272 HG2 ARG 35 HG2 ARG 35 10.184 -2.456 -10.774
273 HG3 ARG 35 HG1 ARG 35 8.863 -1.767 -9.835
274 HD2 ARG 35 HD2 ARG 35 9.447 0.487 -10.902
275 HD3 ARG 35 HD1 ARG 35 10.502 -0.418 -12.000
276 HE ARG 35 HE ARG 35 7.782 -1.403 -11.825
277 HH11 ARG 35 HH11 ARG 35 9.920 0.775 -13.610
278 HH12 ARG 35 HH12 ARG 35 8.888 0.810 -15.005
279 HH21 ARG 35 HH21 ARG 35 6.442 -1.303 -13.636
280 HH22 ARG 35 HH22 ARG 35 6.920 -0.368 -15.016
281 H ALA 36 HN ALA 36 10.693 -1.229 -5.650
282 HA ALA 36 HA ALA 36 13.315 -0.243 -5.203
283 HB1 ALA 36 HB1 ALA 36 11.336 0.592 -3.997
284 HB2 ALA 36 HB2 ALA 36 12.577 0.047 -2.868
285 HB3 ALA 36 HB3 ALA 36 11.158 -0.961 -3.178
286 H GLY 37 HN GLY 37 11.919 -3.428 -4.874
287 HA2 GLY 37 HA2 GLY 37 12.830 -5.458 -4.257
288 HA3 GLY 37 HA1 GLY 37 14.393 -4.672 -4.098
289 H ARG 38 HN ARG 38 11.934 -3.153 -2.355
290 HA ARG 38 HA ARG 38 12.955 -4.174 0.206
291 HB2 ARG 38 HB2 ARG 38 13.033 -1.685 -0.428
292 HB3 ARG 38 HB1 ARG 38 11.283 -1.672 -0.353
293 HG2 ARG 38 HG2 ARG 38 13.034 -2.383 2.032
294 HG3 ARG 38 HG1 ARG 38 12.525 -0.737 1.674
295 HD2 ARG 38 HD2 ARG 38 10.134 -1.535 1.828
296 HD3 ARG 38 HD1 ARG 38 10.744 -3.088 2.401
297 HE ARG 38 HE ARG 38 11.850 -1.190 4.074
298 HH11 ARG 38 HH11 ARG 38 7.910 -1.742 4.744
299 HH12 ARG 38 HH12 ARG 38 8.592 -2.203 3.215
300 HH21 ARG 38 HH21 ARG 38 9.243 -0.828 6.366
301 HH22 ARG 38 HH22 ARG 38 10.940 -0.584 6.075
302 H CYS 39 HN CYS 39 11.664 -5.560 1.321
303 HA CYS 39 HA CYS 39 9.181 -6.485 0.324
304 HB2 CYS 39 HB2 CYS 39 10.397 -6.938 3.076
305 HB3 CYS 39 HB1 CYS 39 9.144 -7.919 2.315
306 HG CYS 39 HG CYS 39 11.316 -9.503 2.065
307 H ILE 40 HN ILE 40 7.308 -5.395 0.452
308 HA ILE 40 HA ILE 40 6.794 -3.500 2.658
309 HB ILE 40 HB ILE 40 5.318 -3.834 0.010
310 HG12 ILE 40 HG12 ILE 40 7.635 -3.005 -0.323
311 HG13 ILE 40 HG11 ILE 40 6.433 -1.801 -0.757
312 HG21 ILE 40 HG21 ILE 40 4.174 -1.749 0.543
313 HG22 ILE 40 HG22 ILE 40 5.007 -1.667 2.093
314 HG23 ILE 40 HG23 ILE 40 3.857 -2.967 1.782
315 HD11 ILE 40 HD11 ILE 40 8.313 -0.807 0.353
316 HD12 ILE 40 HD12 ILE 40 8.087 -1.850 1.757
317 HD13 ILE 40 HD13 ILE 40 6.871 -0.633 1.352
318 H ASP 41 HN ASP 41 5.304 -3.964 4.189
319 HA ASP 41 HA ASP 41 3.532 -6.304 3.915
320 HB2 ASP 41 HB2 ASP 41 4.165 -4.535 6.322
321 HB3 ASP 41 HB1 ASP 41 3.036 -5.890 6.350
322 H ILE 42 HN ILE 42 1.602 -5.909 3.076
323 HA ILE 42 HA ILE 42 0.273 -3.336 3.191
324 HB ILE 42 HB ILE 42 -0.640 -6.023 2.059
325 HG12 ILE 42 HG12 ILE 42 1.249 -5.115 0.796
326 HG13 ILE 42 HG11 ILE 42 -0.213 -4.929 -0.165
327 HG21 ILE 42 HG21 ILE 42 -2.604 -4.697 2.671
328 HG22 ILE 42 HG22 ILE 42 -2.439 -4.752 0.917
329 HG23 ILE 42 HG23 ILE 42 -1.967 -3.298 1.798
330 HD11 ILE 42 HD11 ILE 42 1.188 -2.753 1.399
331 HD12 ILE 42 HD12 ILE 42 -0.316 -2.550 0.492
332 HD13 ILE 42 HD13 ILE 42 1.173 -2.968 -0.350
333 H GLU 43 HN GLU 43 -0.567 -2.792 5.083
334 HA GLU 43 HA GLU 43 -1.451 -4.628 7.080
335 HB2 GLU 43 HB2 GLU 43 -1.683 -1.609 6.825
336 HB3 GLU 43 HB1 GLU 43 -2.268 -2.499 8.226
337 HG2 GLU 43 HG2 GLU 43 0.087 -3.386 8.536
338 HG3 GLU 43 HG1 GLU 43 0.601 -2.279 7.264
339 H LEU 44 HN LEU 44 -3.113 -5.895 6.334
340 HA LEU 44 HA LEU 44 -5.592 -4.749 5.327
341 HB2 LEU 44 HB2 LEU 44 -4.712 -6.956 4.508
342 HB3 LEU 44 HB1 LEU 44 -4.942 -7.621 6.116
343 HG LEU 44 HG LEU 44 -7.426 -7.189 5.888
344 HD11 LEU 44 HD11 LEU 44 -7.347 -5.381 4.246
345 HD12 LEU 44 HD12 LEU 44 -8.358 -6.708 3.676
346 HD13 LEU 44 HD13 LEU 44 -6.728 -6.498 3.025
347 HD21 LEU 44 HD21 LEU 44 -6.473 -9.413 5.372
348 HD22 LEU 44 HD22 LEU 44 -6.282 -8.923 3.681
349 HD23 LEU 44 HD23 LEU 44 -7.898 -9.050 4.393
350 H TYR 45 HN TYR 45 -6.690 -3.660 6.838
351 HA TYR 45 HA TYR 45 -6.795 -4.100 9.638
352 HB2 TYR 45 HB2 TYR 45 -8.596 -2.541 7.735
353 HB3 TYR 45 HB1 TYR 45 -8.728 -2.449 9.488
354 HD1 TYR 45 HD1 TYR 45 -7.309 -0.940 10.720
355 HD2 TYR 45 HD2 TYR 45 -6.382 -1.781 6.638
356 HE1 TYR 45 HE1 TYR 45 -5.600 0.833 10.736
357 HE2 TYR 45 HE2 TYR 45 -4.679 -0.015 6.651
358 HH TYR 45 HH TYR 45 -4.187 2.084 7.960
359 H THR 46 HN THR 46 -8.987 -4.360 10.769
360 HA THR 46 HA THR 46 -9.703 -7.051 10.590
361 HB THR 46 HB THR 46 -11.339 -4.885 11.998
362 HG1 THR 46 HG1 THR 46 -9.855 -5.674 13.804
363 HG21 THR 46 HG21 THR 46 -10.923 -7.820 12.690
364 HG22 THR 46 HG22 THR 46 -12.400 -7.128 12.017
365 HG23 THR 46 HG23 THR 46 -11.864 -6.658 13.631
366 H ASP 47 HN ASP 47 -11.350 -4.191 9.307
367 HA ASP 47 HA ASP 47 -13.789 -5.578 8.558
368 HB2 ASP 47 HB2 ASP 47 -14.568 -3.425 7.799
369 HB3 ASP 47 HB1 ASP 47 -13.701 -3.157 9.308
370 H GLY 48 HN GLY 48 -10.713 -5.055 7.140
371 HA2 GLY 48 HA2 GLY 48 -10.069 -6.278 5.166
372 HA3 GLY 48 HA1 GLY 48 -11.667 -5.998 4.491
373 H ARG 49 HN ARG 49 -10.573 -3.176 5.981
374 HA ARG 49 HA ARG 49 -9.930 -1.801 3.538
375 HB2 ARG 49 HB2 ARG 49 -11.018 -0.660 5.445
376 HB3 ARG 49 HB1 ARG 49 -9.624 -0.978 6.469
377 HG2 ARG 49 HG2 ARG 49 -8.265 0.588 5.246
378 HG3 ARG 49 HG1 ARG 49 -9.478 0.745 3.970
379 HD2 ARG 49 HD2 ARG 49 -9.903 1.592 6.854
380 HD3 ARG 49 HD1 ARG 49 -9.417 2.680 5.556
381 HE ARG 49 HE ARG 49 -12.009 1.239 5.659
382 HH11 ARG 49 HH11 ARG 49 -11.525 4.932 4.095
383 HH12 ARG 49 HH12 ARG 49 -10.143 4.097 4.742
384 HH21 ARG 49 HH21 ARG 49 -13.789 2.316 4.766
385 HH22 ARG 49 HH22 ARG 49 -13.601 3.915 4.106
386 H VAL 50 HN VAL 50 -7.803 -0.828 3.035
387 HA VAL 50 HA VAL 50 -5.495 -1.953 4.526
388 HB VAL 50 HB VAL 50 -4.176 -2.103 2.415
389 HG11 VAL 50 HG11 VAL 50 -6.642 -3.867 2.418
390 HG12 VAL 50 HG12 VAL 50 -5.178 -4.112 3.376
391 HG13 VAL 50 HG13 VAL 50 -5.103 -4.209 1.620
392 HG21 VAL 50 HG21 VAL 50 -5.453 -0.550 0.996
393 HG22 VAL 50 HG22 VAL 50 -6.820 -1.664 0.966
394 HG23 VAL 50 HG23 VAL 50 -5.290 -2.122 0.209
395 H GLU 51 HN GLU 51 -3.783 -0.613 4.811
396 HA GLU 51 HA GLU 51 -3.554 1.853 3.273
397 HB2 GLU 51 HB2 GLU 51 -4.715 2.146 5.704
398 HB3 GLU 51 HB1 GLU 51 -3.045 2.133 6.245
399 HG2 GLU 51 HG2 GLU 51 -4.310 4.066 4.285
400 HG3 GLU 51 HG1 GLU 51 -3.826 4.424 5.934
401 H CYS 52 HN CYS 52 -1.504 2.050 2.615
402 HA CYS 52 HA CYS 52 0.515 0.218 3.658
403 HB2 CYS 52 HB2 CYS 52 0.038 0.257 1.186
404 HB3 CYS 52 HB1 CYS 52 0.649 1.911 1.140
405 HG CYS 52 HG CYS 52 2.375 -0.971 1.725
406 H ARG 53 HN ARG 53 1.414 1.132 5.383
407 HA ARG 53 HA ARG 53 1.598 3.913 5.920
408 HB2 ARG 53 HB2 ARG 53 3.308 1.786 7.275
409 HB3 ARG 53 HB1 ARG 53 2.687 3.278 7.974
410 HG2 ARG 53 HG2 ARG 53 1.035 0.869 7.189
411 HG3 ARG 53 HG1 ARG 53 1.545 1.262 8.826
412 HD2 ARG 53 HD2 ARG 53 -0.218 3.067 7.138
413 HD3 ARG 53 HD1 ARG 53 -0.838 1.850 8.256
414 HE ARG 53 HE ARG 53 0.515 3.110 10.007
415 HH11 ARG 53 HH11 ARG 53 -1.196 6.208 8.098
416 HH12 ARG 53 HH12 ARG 53 -1.005 4.702 7.272
417 HH21 ARG 53 HH21 ARG 53 -0.465 6.435 10.284
418 HH22 ARG 53 HH22 ARG 53 0.272 5.087 11.096
419 H GLU 54 HN GLU 54 3.643 1.659 4.293
420 HA GLU 54 HA GLU 54 6.167 2.970 4.514
421 HB2 GLU 54 HB2 GLU 54 5.497 1.077 2.239
422 HB3 GLU 54 HB1 GLU 54 7.009 1.271 3.108
423 HG2 GLU 54 HG2 GLU 54 4.514 -0.143 4.036
424 HG3 GLU 54 HG1 GLU 54 6.077 -0.860 3.667
425 H LEU 55 HN LEU 55 3.418 3.336 2.472
426 HA LEU 55 HA LEU 55 4.869 5.009 0.532
427 HB2 LEU 55 HB2 LEU 55 3.753 2.908 -0.353
428 HB3 LEU 55 HB1 LEU 55 2.205 3.557 0.125
429 HG LEU 55 HG LEU 55 2.879 3.758 -2.370
430 HD11 LEU 55 HD11 LEU 55 1.818 5.926 -2.704
431 HD12 LEU 55 HD12 LEU 55 2.011 6.313 -0.992
432 HD13 LEU 55 HD13 LEU 55 0.962 4.983 -1.485
433 HD21 LEU 55 HD21 LEU 55 4.302 5.646 -3.015
434 HD22 LEU 55 HD22 LEU 55 5.201 4.506 -2.015
435 HD23 LEU 55 HD23 LEU 55 4.618 6.020 -1.318
436 H ARG 56 HN ARG 56 4.685 6.954 1.377
437 HA ARG 56 HA ARG 56 2.113 8.121 2.128
438 HB2 ARG 56 HB2 ARG 56 4.884 9.377 1.981
439 HB3 ARG 56 HB1 ARG 56 3.433 10.133 2.643
440 HG2 ARG 56 HG2 ARG 56 3.323 8.333 4.371
441 HG3 ARG 56 HG1 ARG 56 4.854 7.696 3.756
442 HD2 ARG 56 HD2 ARG 56 5.950 9.842 4.278
443 HD3 ARG 56 HD1 ARG 56 4.413 10.470 4.886
444 HE ARG 56 HE ARG 56 4.804 8.228 6.377
445 HH11 ARG 56 HH11 ARG 56 7.633 10.967 7.289
446 HH12 ARG 56 HH12 ARG 56 6.829 11.047 5.754
447 HH21 ARG 56 HH21 ARG 56 5.845 8.147 8.400
448 HH22 ARG 56 HH22 ARG 56 7.071 9.312 8.793
449 HA PRO 57 HA PRO 57 1.385 9.898 -2.078
450 HB2 PRO 57 HB2 PRO 57 0.163 12.151 -0.488
451 HB3 PRO 57 HB1 PRO 57 -0.519 11.214 -1.837
452 HG2 PRO 57 HG2 PRO 57 -1.365 10.733 0.621
453 HG3 PRO 57 HG1 PRO 57 -1.049 9.366 -0.477
454 HD2 PRO 57 HD2 PRO 57 0.679 10.431 1.764
455 HD3 PRO 57 HD1 PRO 57 0.284 8.743 1.347
456 H ASP 58 HN ASP 58 3.362 11.222 0.330
457 HA ASP 58 HA ASP 58 4.198 13.712 -0.676
458 HB2 ASP 58 HB2 ASP 58 4.606 12.916 1.632
459 HB3 ASP 58 HB1 ASP 58 5.688 11.666 1.033
460 H VAL 59 HN VAL 59 5.058 10.443 -1.465
461 HA VAL 59 HA VAL 59 7.442 10.712 -2.900
462 HB VAL 59 HB VAL 59 5.120 8.774 -3.249
463 HG11 VAL 59 HG11 VAL 59 7.965 8.431 -4.265
464 HG12 VAL 59 HG12 VAL 59 6.527 8.642 -5.264
465 HG13 VAL 59 HG13 VAL 59 6.716 7.182 -4.291
466 HG21 VAL 59 HG21 VAL 59 6.059 8.744 -0.993
467 HG22 VAL 59 HG22 VAL 59 7.678 8.482 -1.650
468 HG23 VAL 59 HG23 VAL 59 6.436 7.239 -1.837
469 H PHE 60 HN PHE 60 4.209 11.642 -3.783
470 HA PHE 60 HA PHE 60 4.715 11.836 -6.638
471 HB2 PHE 60 HB2 PHE 60 2.362 12.653 -4.896
472 HB3 PHE 60 HB1 PHE 60 2.398 12.853 -6.647
473 HD1 PHE 60 HD1 PHE 60 2.062 10.992 -8.126
474 HD2 PHE 60 HD2 PHE 60 2.393 10.320 -3.912
475 HE1 PHE 60 HE1 PHE 60 1.339 8.673 -8.425
476 HE2 PHE 60 HE2 PHE 60 1.652 8.001 -4.228
477 HZ PHE 60 HZ PHE 60 1.136 7.176 -6.491
478 H GLY 61 HN GLY 61 4.656 14.005 -3.845
479 HA2 GLY 61 HA2 GLY 61 5.207 16.397 -5.460
480 HA3 GLY 61 HA1 GLY 61 5.078 16.304 -3.703
481 H ALA 62 HN ALA 62 7.084 14.749 -6.203
482 HA ALA 62 HA ALA 62 9.528 15.222 -4.626
483 HB1 ALA 62 HB1 ALA 62 8.555 12.513 -5.617
484 HB2 ALA 62 HB2 ALA 62 8.592 13.035 -3.935
485 HB3 ALA 62 HB3 ALA 62 10.107 12.821 -4.824
Start of MODEL 7
1 H1 MET 1 HT1 MET 1 -5.346 -3.770 12.900
2 H2 MET 1 HT2 MET 1 -6.875 -4.400 12.555
3 H3 MET 1 HT3 MET 1 -6.589 -2.750 12.392
4 HA MET 1 HA MET 1 -6.673 -3.849 10.261
5 HB2 MET 1 HB2 MET 1 -4.575 -2.947 9.336
6 HB3 MET 1 HB1 MET 1 -5.266 -1.831 10.505
7 HG2 MET 1 HG2 MET 1 -3.012 -3.741 11.163
8 HG3 MET 1 HG1 MET 1 -2.766 -2.086 10.615
9 HE1 MET 1 HE1 MET 1 -3.099 0.034 12.063
10 HE2 MET 1 HE2 MET 1 -3.997 0.070 13.579
11 HE3 MET 1 HE3 MET 1 -4.836 -0.283 12.068
12 H LYS 2 HN LYS 2 -5.516 -5.269 8.736
13 HA LYS 2 HA LYS 2 -4.349 -7.671 10.028
14 HB2 LYS 2 HB2 LYS 2 -6.292 -7.573 7.671
15 HB3 LYS 2 HB1 LYS 2 -5.535 -9.031 8.312
16 HG2 LYS 2 HG2 LYS 2 -6.714 -8.615 10.498
17 HG3 LYS 2 HG1 LYS 2 -7.535 -7.248 9.738
18 HD2 LYS 2 HD2 LYS 2 -8.980 -9.232 9.751
19 HD3 LYS 2 HD1 LYS 2 -8.573 -8.769 8.096
20 HE2 LYS 2 HE2 LYS 2 -8.466 -11.199 8.373
21 HE3 LYS 2 HE1 LYS 2 -6.861 -10.560 8.029
22 HZ1 LYS 2 HZ1 LYS 2 -6.372 -10.688 10.416
23 HZ2 LYS 2 HZ2 LYS 2 -6.782 -12.199 9.785
24 HZ3 LYS 2 HZ3 LYS 2 -7.905 -11.338 10.701
25 H LYS 3 HN LYS 3 -2.704 -8.683 8.909
26 HA LYS 3 HA LYS 3 -1.221 -6.932 7.117
27 HB2 LYS 3 HB2 LYS 3 -0.398 -9.517 8.520
28 HB3 LYS 3 HB1 LYS 3 0.679 -8.477 7.586
29 HG2 LYS 3 HG2 LYS 3 0.267 -6.629 9.189
30 HG3 LYS 3 HG1 LYS 3 -0.772 -7.698 10.140
31 HD2 LYS 3 HD2 LYS 3 1.169 -9.192 10.562
32 HD3 LYS 3 HD1 LYS 3 2.201 -8.118 9.611
33 HE2 LYS 3 HE2 LYS 3 1.729 -6.285 11.229
34 HE3 LYS 3 HE1 LYS 3 0.774 -7.412 12.197
35 HZ1 LYS 3 HZ1 LYS 3 2.781 -8.768 12.472
36 HZ2 LYS 3 HZ2 LYS 3 2.985 -7.210 13.087
37 HZ3 LYS 3 HZ3 LYS 3 3.679 -7.629 11.605
38 H ILE 4 HN ILE 4 -1.897 -7.130 5.048
39 HA ILE 4 HA ILE 4 -1.645 -9.801 3.765
40 HB ILE 4 HB ILE 4 -2.888 -7.316 2.524
41 HG12 ILE 4 HG12 ILE 4 -4.258 -9.695 3.838
42 HG13 ILE 4 HG11 ILE 4 -4.382 -7.998 4.310
43 HG21 ILE 4 HG21 ILE 4 -1.945 -8.882 0.864
44 HG22 ILE 4 HG22 ILE 4 -3.702 -8.780 0.736
45 HG23 ILE 4 HG23 ILE 4 -2.952 -10.176 1.519
46 HD11 ILE 4 HD11 ILE 4 -5.426 -9.237 1.778
47 HD12 ILE 4 HD12 ILE 4 -5.502 -7.517 2.183
48 HD13 ILE 4 HD13 ILE 4 -6.362 -8.697 3.169
49 HA PRO 5 HA PRO 5 2.147 -8.032 1.932
50 HB2 PRO 5 HB2 PRO 5 2.039 -10.313 0.014
51 HB3 PRO 5 HB1 PRO 5 3.258 -9.968 1.255
52 HG2 PRO 5 HG2 PRO 5 1.562 -12.054 1.490
53 HG3 PRO 5 HG1 PRO 5 2.121 -11.136 2.911
54 HD2 PRO 5 HD2 PRO 5 -0.504 -10.854 1.417
55 HD3 PRO 5 HD1 PRO 5 -0.232 -10.943 3.170
56 H LEU 6 HN LEU 6 2.403 -6.643 0.188
57 HA LEU 6 HA LEU 6 0.247 -5.469 -1.043
58 HB2 LEU 6 HB2 LEU 6 2.432 -4.384 -0.884
59 HB3 LEU 6 HB1 LEU 6 3.140 -5.564 -1.970
60 HG LEU 6 HG LEU 6 1.753 -4.641 -3.848
61 HD11 LEU 6 HD11 LEU 6 -0.134 -3.760 -2.570
62 HD12 LEU 6 HD12 LEU 6 0.579 -2.512 -3.590
63 HD13 LEU 6 HD13 LEU 6 0.908 -2.525 -1.854
64 HD21 LEU 6 HD21 LEU 6 3.033 -2.572 -4.135
65 HD22 LEU 6 HD22 LEU 6 4.051 -3.858 -3.494
66 HD23 LEU 6 HD23 LEU 6 3.466 -2.584 -2.424
67 H SER 7 HN SER 7 2.525 -7.747 -2.558
68 HA SER 7 HA SER 7 1.387 -7.907 -5.091
69 HB2 SER 7 HB2 SER 7 2.941 -10.067 -3.601
70 HB3 SER 7 HB1 SER 7 2.740 -9.950 -5.357
71 HG SER 7 HG SER 7 3.682 -7.686 -4.882
72 H LYS 8 HN LYS 8 0.760 -9.853 -2.175
73 HA LYS 8 HA LYS 8 -0.897 -11.806 -3.442
74 HB2 LYS 8 HB2 LYS 8 -0.238 -11.167 -0.553
75 HB3 LYS 8 HB1 LYS 8 -1.553 -12.277 -0.913
76 HG2 LYS 8 HG2 LYS 8 0.468 -13.539 -0.472
77 HG3 LYS 8 HG1 LYS 8 -0.003 -13.730 -2.162
78 HD2 LYS 8 HD2 LYS 8 1.717 -11.924 -2.722
79 HD3 LYS 8 HD1 LYS 8 2.273 -12.049 -1.050
80 HE2 LYS 8 HE2 LYS 8 3.687 -13.402 -2.514
81 HE3 LYS 8 HE1 LYS 8 2.779 -14.459 -1.430
82 HZ1 LYS 8 HZ1 LYS 8 2.035 -13.860 -4.248
83 HZ2 LYS 8 HZ2 LYS 8 1.236 -14.931 -3.217
84 HZ3 LYS 8 HZ3 LYS 8 2.811 -15.266 -3.728
85 H TYR 9 HN TYR 9 -1.551 -8.716 -1.912
86 HA TYR 9 HA TYR 9 -4.397 -8.929 -1.855
87 HB2 TYR 9 HB2 TYR 9 -3.172 -7.170 -0.566
88 HB3 TYR 9 HB1 TYR 9 -2.671 -6.409 -2.068
89 HD1 TYR 9 HD1 TYR 9 -5.585 -7.125 0.130
90 HD2 TYR 9 HD2 TYR 9 -4.219 -4.980 -3.325
91 HE1 TYR 9 HE1 TYR 9 -7.662 -5.843 0.101
92 HE2 TYR 9 HE2 TYR 9 -6.316 -3.697 -3.345
93 HH TYR 9 HH TYR 9 -8.606 -3.885 -2.538
94 H LEU 10 HN LEU 10 -2.035 -7.723 -4.201
95 HA LEU 10 HA LEU 10 -3.902 -6.839 -6.173
96 HB2 LEU 10 HB2 LEU 10 -0.956 -7.533 -6.489
97 HB3 LEU 10 HB1 LEU 10 -1.910 -6.559 -7.599
98 HG LEU 10 HG LEU 10 -1.219 -5.779 -4.741
99 HD11 LEU 10 HD11 LEU 10 0.772 -5.763 -6.139
100 HD12 LEU 10 HD12 LEU 10 0.299 -4.126 -5.693
101 HD13 LEU 10 HD13 LEU 10 -0.039 -4.728 -7.319
102 HD21 LEU 10 HD21 LEU 10 -2.624 -4.178 -6.883
103 HD22 LEU 10 HD22 LEU 10 -2.074 -3.552 -5.328
104 HD23 LEU 10 HD23 LEU 10 -3.327 -4.791 -5.380
105 H GLU 11 HN GLU 11 -2.578 -9.940 -5.388
106 HA GLU 11 HA GLU 11 -3.097 -11.237 -7.950
107 HB2 GLU 11 HB2 GLU 11 -2.249 -12.298 -5.219
108 HB3 GLU 11 HB1 GLU 11 -2.531 -13.352 -6.599
109 HG2 GLU 11 HG2 GLU 11 -0.695 -12.416 -7.823
110 HG3 GLU 11 HG1 GLU 11 -0.499 -11.104 -6.662
111 H GLU 12 HN GLU 12 -4.679 -10.959 -4.781
112 HA GLU 12 HA GLU 12 -6.606 -13.076 -5.548
113 HB2 GLU 12 HB2 GLU 12 -5.105 -13.662 -3.682
114 HB3 GLU 12 HB1 GLU 12 -5.663 -12.263 -2.775
115 HG2 GLU 12 HG2 GLU 12 -7.928 -13.232 -2.651
116 HG3 GLU 12 HG1 GLU 12 -7.397 -14.623 -3.596
117 H HIS 13 HN HIS 13 -6.368 -9.962 -3.788
118 HA HIS 13 HA HIS 13 -9.236 -10.061 -3.160
119 HB2 HIS 13 HB2 HIS 13 -7.061 -8.150 -2.226
120 HB3 HIS 13 HB1 HIS 13 -8.731 -8.107 -1.677
121 HD1 HIS 13 HD1 HIS 13 -9.244 -9.449 0.348
122 HD2 HIS 13 HD2 HIS 13 -5.710 -10.645 -1.460
123 HE1 HIS 13 HE1 HIS 13 -8.255 -11.172 1.878
124 HE2 HIS 13 HE2 HIS 13 -6.251 -12.036 0.631
125 H GLY 14 HN GLY 14 -6.954 -7.862 -4.836
126 HA2 GLY 14 HA2 GLY 14 -9.119 -6.626 -6.352
127 HA3 GLY 14 HA1 GLY 14 -8.333 -5.572 -5.181
128 H THR 15 HN THR 15 -8.225 -4.742 -7.675
129 HA THR 15 HA THR 15 -5.644 -5.401 -8.871
130 HB THR 15 HB THR 15 -6.426 -3.273 -10.349
131 HG1 THR 15 HG1 THR 15 -8.883 -3.608 -10.467
132 HG21 THR 15 HG21 THR 15 -7.708 -6.006 -10.639
133 HG22 THR 15 HG22 THR 15 -6.133 -5.519 -11.268
134 HG23 THR 15 HG23 THR 15 -7.601 -4.770 -11.897
135 H GLN 16 HN GLN 16 -4.263 -3.438 -9.533
136 HA GLN 16 HA GLN 16 -3.556 -1.849 -7.257
137 HB2 GLN 16 HB2 GLN 16 -2.645 -1.410 -10.136
138 HB3 GLN 16 HB1 GLN 16 -1.852 -0.850 -8.663
139 HG2 GLN 16 HG2 GLN 16 -1.621 -3.352 -8.062
140 HG3 GLN 16 HG1 GLN 16 -2.023 -3.668 -9.744
141 HE21 GLN 16 HE21 GLN 16 0.331 -2.371 -7.545
142 HE22 GLN 16 HE22 GLN 16 1.640 -2.312 -8.655
143 H SER 17 HN SER 17 -5.624 -1.465 -9.999
144 HA SER 17 HA SER 17 -6.140 1.336 -9.810
145 HB2 SER 17 HB2 SER 17 -6.602 -0.147 -11.829
146 HB3 SER 17 HB1 SER 17 -7.972 -0.818 -10.944
147 HG SER 17 HG SER 17 -8.674 0.842 -12.268
148 H ALA 18 HN ALA 18 -7.858 -1.603 -8.678
149 HA ALA 18 HA ALA 18 -9.960 -0.406 -7.271
150 HB1 ALA 18 HB1 ALA 18 -10.136 -2.529 -6.061
151 HB2 ALA 18 HB2 ALA 18 -8.511 -2.989 -6.583
152 HB3 ALA 18 HB3 ALA 18 -9.815 -2.838 -7.770
153 H LEU 19 HN LEU 19 -6.672 -1.232 -6.328
154 HA LEU 19 HA LEU 19 -6.916 -0.733 -3.558
155 HB2 LEU 19 HB2 LEU 19 -5.123 -2.153 -4.456
156 HB3 LEU 19 HB1 LEU 19 -4.458 -0.799 -5.351
157 HG LEU 19 HG LEU 19 -3.839 0.316 -3.203
158 HD11 LEU 19 HD11 LEU 19 -5.552 -0.608 -1.730
159 HD12 LEU 19 HD12 LEU 19 -3.939 -0.878 -1.077
160 HD13 LEU 19 HD13 LEU 19 -4.813 -2.209 -1.840
161 HD21 LEU 19 HD21 LEU 19 -2.185 -1.067 -4.355
162 HD22 LEU 19 HD22 LEU 19 -2.737 -2.497 -3.478
163 HD23 LEU 19 HD23 LEU 19 -1.977 -1.163 -2.606
164 H ALA 20 HN ALA 20 -5.435 1.160 -6.208
165 HA ALA 20 HA ALA 20 -4.777 3.495 -4.807
166 HB1 ALA 20 HB1 ALA 20 -4.653 4.567 -7.010
167 HB2 ALA 20 HB2 ALA 20 -5.560 3.237 -7.738
168 HB3 ALA 20 HB3 ALA 20 -3.949 2.952 -7.072
169 H ALA 21 HN ALA 21 -7.793 2.618 -6.470
170 HA ALA 21 HA ALA 21 -9.119 5.117 -6.148
171 HB1 ALA 21 HB1 ALA 21 -11.117 3.912 -6.885
172 HB2 ALA 21 HB2 ALA 21 -10.314 2.361 -6.602
173 HB3 ALA 21 HB3 ALA 21 -9.725 3.442 -7.866
174 H ALA 22 HN ALA 22 -8.896 2.207 -4.159
175 HA ALA 22 HA ALA 22 -10.908 2.937 -2.231
176 HB1 ALA 22 HB1 ALA 22 -10.071 1.028 -0.932
177 HB2 ALA 22 HB2 ALA 22 -8.656 0.904 -1.985
178 HB3 ALA 22 HB3 ALA 22 -10.270 0.581 -2.628
179 H LEU 23 HN LEU 23 -7.486 3.542 -2.607
180 HA LEU 23 HA LEU 23 -7.151 4.686 0.068
181 HB2 LEU 23 HB2 LEU 23 -5.209 4.629 -2.280
182 HB3 LEU 23 HB1 LEU 23 -4.818 5.065 -0.625
183 HG LEU 23 HG LEU 23 -5.564 2.297 -1.638
184 HD11 LEU 23 HD11 LEU 23 -2.926 3.348 -0.583
185 HD12 LEU 23 HD12 LEU 23 -3.308 2.946 -2.259
186 HD13 LEU 23 HD13 LEU 23 -3.270 1.675 -1.041
187 HD21 LEU 23 HD21 LEU 23 -6.492 2.558 0.585
188 HD22 LEU 23 HD22 LEU 23 -4.938 3.132 1.207
189 HD23 LEU 23 HD23 LEU 23 -5.105 1.471 0.635
190 H GLY 24 HN GLY 24 -8.108 5.713 -3.069
191 HA2 GLY 24 HA2 GLY 24 -8.753 7.768 -3.883
192 HA3 GLY 24 HA1 GLY 24 -8.298 8.513 -2.359
193 H VAL 25 HN VAL 25 -5.932 6.547 -3.861
194 HA VAL 25 HA VAL 25 -4.287 8.893 -4.577
195 HB VAL 25 HB VAL 25 -2.328 7.555 -4.156
196 HG11 VAL 25 HG11 VAL 25 -4.367 7.060 -1.960
197 HG12 VAL 25 HG12 VAL 25 -3.345 8.493 -2.152
198 HG13 VAL 25 HG13 VAL 25 -2.616 6.935 -1.772
199 HG21 VAL 25 HG21 VAL 25 -2.981 5.410 -5.118
200 HG22 VAL 25 HG22 VAL 25 -4.130 5.129 -3.811
201 HG23 VAL 25 HG23 VAL 25 -2.396 5.160 -3.470
202 H ASN 26 HN ASN 26 -2.608 8.334 -6.332
203 HA ASN 26 HA ASN 26 -3.973 7.323 -8.713
204 HB2 ASN 26 HB2 ASN 26 -2.724 9.498 -8.787
205 HB3 ASN 26 HB1 ASN 26 -1.232 8.642 -8.414
206 HD21 ASN 26 HD21 ASN 26 -0.346 9.475 -10.372
207 HD22 ASN 26 HD22 ASN 26 -0.763 8.810 -11.910
208 H GLN 27 HN GLN 27 -3.130 5.605 -10.007
209 HA GLN 27 HA GLN 27 -2.031 3.382 -8.643
210 HB2 GLN 27 HB2 GLN 27 -2.264 3.877 -11.644
211 HB3 GLN 27 HB1 GLN 27 -1.734 2.351 -10.946
212 HG2 GLN 27 HG2 GLN 27 -3.938 2.181 -9.780
213 HG3 GLN 27 HG1 GLN 27 -4.468 3.619 -10.660
214 HE21 GLN 27 HE21 GLN 27 -4.850 3.448 -12.904
215 HE22 GLN 27 HE22 GLN 27 -4.973 1.926 -13.711
216 H SER 28 HN SER 28 -0.501 5.989 -10.405
217 HA SER 28 HA SER 28 2.037 4.925 -10.889
218 HB2 SER 28 HB2 SER 28 1.284 7.099 -11.805
219 HB3 SER 28 HB1 SER 28 1.296 7.801 -10.188
220 HG SER 28 HG SER 28 3.242 8.352 -10.858
221 H ALA 29 HN ALA 29 0.730 6.526 -7.966
222 HA ALA 29 HA ALA 29 3.017 6.441 -6.314
223 HB1 ALA 29 HB1 ALA 29 0.094 6.219 -5.524
224 HB2 ALA 29 HB2 ALA 29 0.983 7.723 -5.769
225 HB3 ALA 29 HB3 ALA 29 1.435 6.644 -4.449
226 H ILE 30 HN ILE 30 0.429 4.021 -6.756
227 HA ILE 30 HA ILE 30 1.372 2.065 -4.961
228 HB ILE 30 HB ILE 30 -0.147 1.589 -7.584
229 HG12 ILE 30 HG12 ILE 30 -1.366 3.230 -6.223
230 HG13 ILE 30 HG11 ILE 30 -2.239 1.706 -6.234
231 HG21 ILE 30 HG21 ILE 30 0.007 -0.161 -5.100
232 HG22 ILE 30 HG22 ILE 30 0.734 -0.505 -6.673
233 HG23 ILE 30 HG23 ILE 30 -1.021 -0.460 -6.507
234 HD11 ILE 30 HD11 ILE 30 -0.559 2.794 -3.976
235 HD12 ILE 30 HD12 ILE 30 -1.379 1.228 -3.973
236 HD13 ILE 30 HD13 ILE 30 -2.317 2.717 -4.063
237 H SER 31 HN SER 31 2.126 2.684 -8.383
238 HA SER 31 HA SER 31 3.691 0.343 -8.892
239 HB2 SER 31 HB2 SER 31 3.600 3.023 -10.363
240 HB3 SER 31 HB1 SER 31 4.353 1.549 -10.975
241 HG SER 31 HG SER 31 1.620 1.844 -10.291
242 H GLN 32 HN GLN 32 4.508 3.631 -7.765
243 HA GLN 32 HA GLN 32 7.361 3.387 -7.968
244 HB2 GLN 32 HB2 GLN 32 5.655 5.202 -6.198
245 HB3 GLN 32 HB1 GLN 32 7.395 5.364 -6.398
246 HG2 GLN 32 HG2 GLN 32 5.415 5.608 -8.675
247 HG3 GLN 32 HG1 GLN 32 5.994 6.978 -7.735
248 HE21 GLN 32 HE21 GLN 32 6.266 6.317 -10.626
249 HE22 GLN 32 HE22 GLN 32 7.964 6.389 -10.939
250 H MET 33 HN MET 33 4.969 2.684 -5.495
251 HA MET 33 HA MET 33 6.686 2.011 -3.321
252 HB2 MET 33 HB2 MET 33 3.818 1.214 -3.910
253 HB3 MET 33 HB1 MET 33 4.627 1.016 -2.362
254 HG2 MET 33 HG2 MET 33 4.850 3.796 -3.193
255 HG3 MET 33 HG1 MET 33 3.170 3.295 -3.277
256 HE1 MET 33 HE1 MET 33 3.348 0.982 -0.941
257 HE2 MET 33 HE2 MET 33 1.964 2.039 -1.263
258 HE3 MET 33 HE3 MET 33 2.629 1.926 0.372
259 H VAL 34 HN VAL 34 5.245 0.181 -5.962
260 HA VAL 34 HA VAL 34 6.159 -2.440 -5.273
261 HB VAL 34 HB VAL 34 5.241 -1.175 -7.903
262 HG11 VAL 34 HG11 VAL 34 5.874 -4.117 -7.477
263 HG12 VAL 34 HG12 VAL 34 6.782 -2.996 -8.494
264 HG13 VAL 34 HG13 VAL 34 5.120 -3.414 -8.914
265 HG21 VAL 34 HG21 VAL 34 3.859 -3.189 -6.093
266 HG22 VAL 34 HG22 VAL 34 3.197 -2.524 -7.589
267 HG23 VAL 34 HG23 VAL 34 3.480 -1.470 -6.202
268 H ARG 35 HN ARG 35 7.410 0.155 -7.369
269 HA ARG 35 HA ARG 35 9.661 -1.373 -8.344
270 HB2 ARG 35 HB2 ARG 35 8.799 1.507 -8.810
271 HB3 ARG 35 HB1 ARG 35 10.264 0.821 -9.511
272 HG2 ARG 35 HG2 ARG 35 8.819 -0.930 -10.629
273 HG3 ARG 35 HG1 ARG 35 7.402 -0.039 -10.060
274 HD2 ARG 35 HD2 ARG 35 7.973 0.534 -12.398
275 HD3 ARG 35 HD1 ARG 35 8.104 1.936 -11.333
276 HE ARG 35 HE ARG 35 10.577 1.423 -11.293
277 HH11 ARG 35 HH11 ARG 35 10.015 0.627 -15.200
278 HH12 ARG 35 HH12 ARG 35 8.660 0.546 -14.122
279 HH21 ARG 35 HH21 ARG 35 12.319 1.516 -12.709
280 HH22 ARG 35 HH22 ARG 35 12.092 1.174 -14.391
281 H ALA 36 HN ALA 36 9.149 0.529 -5.577
282 HA ALA 36 HA ALA 36 11.750 1.498 -5.032
283 HB1 ALA 36 HB1 ALA 36 9.761 2.195 -3.745
284 HB2 ALA 36 HB2 ALA 36 11.005 1.557 -2.667
285 HB3 ALA 36 HB3 ALA 36 9.602 0.566 -3.083
286 H GLY 37 HN GLY 37 10.501 -1.695 -5.197
287 HA2 GLY 37 HA2 GLY 37 11.550 -3.739 -4.956
288 HA3 GLY 37 HA1 GLY 37 12.966 -2.938 -4.288
289 H ARG 38 HN ARG 38 10.229 -1.818 -2.746
290 HA ARG 38 HA ARG 38 10.795 -3.460 -0.374
291 HB2 ARG 38 HB2 ARG 38 10.956 -0.882 -0.310
292 HB3 ARG 38 HB1 ARG 38 9.210 -0.850 -0.501
293 HG2 ARG 38 HG2 ARG 38 9.530 -0.607 1.825
294 HG3 ARG 38 HG1 ARG 38 9.115 -2.311 1.643
295 HD2 ARG 38 HD2 ARG 38 11.916 -1.174 1.990
296 HD3 ARG 38 HD1 ARG 38 10.968 -1.990 3.232
297 HE ARG 38 HE ARG 38 11.076 -3.913 1.408
298 HH11 ARG 38 HH11 ARG 38 14.922 -3.086 2.296
299 HH12 ARG 38 HH12 ARG 38 13.714 -1.880 2.597
300 HH21 ARG 38 HH21 ARG 38 12.688 -5.452 0.993
301 HH22 ARG 38 HH22 ARG 38 14.341 -5.101 1.393
302 H CYS 39 HN CYS 39 9.370 -5.036 0.097
303 HA CYS 39 HA CYS 39 6.773 -5.324 -1.051
304 HB2 CYS 39 HB2 CYS 39 8.003 -7.305 -0.284
305 HB3 CYS 39 HB1 CYS 39 8.066 -6.677 1.360
306 HG CYS 39 HG CYS 39 5.376 -6.993 1.893
307 H ILE 40 HN ILE 40 4.948 -4.287 -0.423
308 HA ILE 40 HA ILE 40 4.991 -2.634 2.022
309 HB ILE 40 HB ILE 40 3.095 -2.507 -0.384
310 HG12 ILE 40 HG12 ILE 40 5.415 -1.869 -1.007
311 HG13 ILE 40 HG11 ILE 40 4.318 -0.500 -1.102
312 HG21 ILE 40 HG21 ILE 40 2.007 -1.711 1.655
313 HG22 ILE 40 HG22 ILE 40 2.298 -0.382 0.535
314 HG23 ILE 40 HG23 ILE 40 3.339 -0.589 1.944
315 HD11 ILE 40 HD11 ILE 40 6.453 0.142 -0.199
316 HD12 ILE 40 HD12 ILE 40 6.302 -1.047 1.093
317 HD13 ILE 40 HD13 ILE 40 5.198 0.334 1.028
318 H ASP 41 HN ASP 41 3.352 -2.788 3.532
319 HA ASP 41 HA ASP 41 1.814 -5.288 3.632
320 HB2 ASP 41 HB2 ASP 41 3.293 -4.750 5.555
321 HB3 ASP 41 HB1 ASP 41 2.448 -3.220 5.790
322 H ILE 42 HN ILE 42 -0.156 -5.079 2.795
323 HA ILE 42 HA ILE 42 -1.690 -2.617 2.838
324 HB ILE 42 HB ILE 42 -2.374 -5.402 1.779
325 HG12 ILE 42 HG12 ILE 42 -0.610 -4.265 0.478
326 HG13 ILE 42 HG11 ILE 42 -2.091 -4.355 -0.468
327 HG21 ILE 42 HG21 ILE 42 -4.459 -4.290 2.428
328 HG22 ILE 42 HG22 ILE 42 -4.334 -4.357 0.669
329 HG23 ILE 42 HG23 ILE 42 -4.005 -2.845 1.519
330 HD11 ILE 42 HD11 ILE 42 -2.551 -1.990 0.058
331 HD12 ILE 42 HD12 ILE 42 -1.005 -2.218 -0.756
332 HD13 ILE 42 HD13 ILE 42 -1.042 -1.916 0.979
333 H GLU 43 HN GLU 43 -2.527 -2.067 4.695
334 HA GLU 43 HA GLU 43 -3.322 -3.890 6.767
335 HB2 GLU 43 HB2 GLU 43 -3.630 -0.872 6.506
336 HB3 GLU 43 HB1 GLU 43 -3.978 -1.792 7.969
337 HG2 GLU 43 HG2 GLU 43 -1.640 -2.466 8.155
338 HG3 GLU 43 HG1 GLU 43 -1.256 -1.680 6.626
339 H LEU 44 HN LEU 44 -5.000 -5.128 6.114
340 HA LEU 44 HA LEU 44 -7.419 -4.041 4.923
341 HB2 LEU 44 HB2 LEU 44 -6.477 -6.251 4.206
342 HB3 LEU 44 HB1 LEU 44 -6.771 -6.883 5.818
343 HG LEU 44 HG LEU 44 -9.245 -6.503 5.475
344 HD11 LEU 44 HD11 LEU 44 -9.134 -4.711 3.837
345 HD12 LEU 44 HD12 LEU 44 -10.099 -6.053 3.231
346 HD13 LEU 44 HD13 LEU 44 -8.451 -5.815 2.638
347 HD21 LEU 44 HD21 LEU 44 -8.258 -8.727 5.024
348 HD22 LEU 44 HD22 LEU 44 -8.029 -8.268 3.331
349 HD23 LEU 44 HD23 LEU 44 -9.658 -8.384 4.009
350 H TYR 45 HN TYR 45 -9.375 -3.890 5.959
351 HA TYR 45 HA TYR 45 -9.444 -4.124 8.903
352 HB2 TYR 45 HB2 TYR 45 -11.074 -2.432 6.947
353 HB3 TYR 45 HB1 TYR 45 -11.414 -2.529 8.672
354 HD1 TYR 45 HD1 TYR 45 -10.327 -0.997 10.163
355 HD2 TYR 45 HD2 TYR 45 -8.636 -1.631 6.289
356 HE1 TYR 45 HE1 TYR 45 -8.670 0.780 10.581
357 HE2 TYR 45 HE2 TYR 45 -6.991 0.141 6.704
358 HH TYR 45 HH TYR 45 -6.659 2.092 8.113
359 H THR 46 HN THR 46 -11.733 -4.697 9.715
360 HA THR 46 HA THR 46 -12.162 -7.389 8.975
361 HB THR 46 HB THR 46 -14.066 -7.330 10.609
362 HG1 THR 46 HG1 THR 46 -14.803 -5.477 11.391
363 HG21 THR 46 HG21 THR 46 -11.754 -7.667 11.455
364 HG22 THR 46 HG22 THR 46 -12.742 -6.781 12.615
365 HG23 THR 46 HG23 THR 46 -11.561 -5.919 11.627
366 H ASP 47 HN ASP 47 -13.717 -4.460 7.900
367 HA ASP 47 HA ASP 47 -16.056 -5.793 6.764
368 HB2 ASP 47 HB2 ASP 47 -16.858 -3.571 6.239
369 HB3 ASP 47 HB1 ASP 47 -16.238 -3.564 7.883
370 H GLY 48 HN GLY 48 -12.905 -5.333 5.755
371 HA2 GLY 48 HA2 GLY 48 -12.048 -6.162 3.720
372 HA3 GLY 48 HA1 GLY 48 -13.592 -5.870 2.938
373 H ARG 49 HN ARG 49 -12.563 -3.267 4.847
374 HA ARG 49 HA ARG 49 -11.976 -1.582 2.546
375 HB2 ARG 49 HB2 ARG 49 -13.384 -0.954 4.611
376 HB3 ARG 49 HB1 ARG 49 -11.872 -0.842 5.501
377 HG2 ARG 49 HG2 ARG 49 -11.133 0.975 3.968
378 HG3 ARG 49 HG1 ARG 49 -12.668 0.844 3.099
379 HD2 ARG 49 HD2 ARG 49 -12.210 1.766 5.951
380 HD3 ARG 49 HD1 ARG 49 -12.919 2.678 4.613
381 HE ARG 49 HE ARG 49 -14.472 0.363 5.165
382 HH11 ARG 49 HH11 ARG 49 -13.864 3.565 6.521
383 HH12 ARG 49 HH12 ARG 49 -15.401 3.627 7.328
384 HH21 ARG 49 HH21 ARG 49 -16.849 1.826 7.176
385 HH22 ARG 49 HH22 ARG 49 -16.400 0.420 6.259
386 H VAL 50 HN VAL 50 -9.921 -0.569 2.194
387 HA VAL 50 HA VAL 50 -7.670 -1.552 3.871
388 HB VAL 50 HB VAL 50 -6.190 -1.366 1.852
389 HG11 VAL 50 HG11 VAL 50 -7.073 -3.534 2.578
390 HG12 VAL 50 HG12 VAL 50 -6.891 -3.474 0.826
391 HG13 VAL 50 HG13 VAL 50 -8.495 -3.320 1.550
392 HG21 VAL 50 HG21 VAL 50 -7.178 -1.291 -0.414
393 HG22 VAL 50 HG22 VAL 50 -7.533 0.186 0.483
394 HG23 VAL 50 HG23 VAL 50 -8.783 -1.043 0.284
395 H GLU 51 HN GLU 51 -6.073 -0.175 4.377
396 HA GLU 51 HA GLU 51 -5.958 2.538 3.293
397 HB2 GLU 51 HB2 GLU 51 -7.363 2.529 5.426
398 HB3 GLU 51 HB1 GLU 51 -5.951 1.964 6.297
399 HG2 GLU 51 HG2 GLU 51 -5.962 4.576 4.777
400 HG3 GLU 51 HG1 GLU 51 -6.552 4.464 6.429
401 H CYS 52 HN CYS 52 -3.919 2.716 2.612
402 HA CYS 52 HA CYS 52 -1.793 1.050 3.764
403 HB2 CYS 52 HB2 CYS 52 -2.113 0.885 1.301
404 HB3 CYS 52 HB1 CYS 52 -1.780 2.608 1.148
405 HG CYS 52 HG CYS 52 0.821 2.493 1.294
406 H ARG 53 HN ARG 53 -1.095 2.129 5.516
407 HA ARG 53 HA ARG 53 -0.742 4.990 5.654
408 HB2 ARG 53 HB2 ARG 53 -1.401 3.281 7.491
409 HB3 ARG 53 HB1 ARG 53 0.316 2.928 7.614
410 HG2 ARG 53 HG2 ARG 53 0.791 5.131 8.432
411 HG3 ARG 53 HG1 ARG 53 -0.823 5.710 7.991
412 HD2 ARG 53 HD2 ARG 53 -0.151 3.675 10.147
413 HD3 ARG 53 HD1 ARG 53 -0.771 5.316 10.391
414 HE ARG 53 HE ARG 53 -2.557 3.898 8.734
415 HH11 ARG 53 HH11 ARG 53 -3.099 3.233 12.655
416 HH12 ARG 53 HH12 ARG 53 -1.580 3.870 12.119
417 HH21 ARG 53 HH21 ARG 53 -4.500 3.085 9.441
418 HH22 ARG 53 HH22 ARG 53 -4.764 2.785 11.130
419 H GLU 54 HN GLU 54 1.090 2.403 4.473
420 HA GLU 54 HA GLU 54 3.726 3.518 4.697
421 HB2 GLU 54 HB2 GLU 54 3.089 1.052 4.365
422 HB3 GLU 54 HB1 GLU 54 2.791 1.461 2.679
423 HG2 GLU 54 HG2 GLU 54 4.999 0.515 2.894
424 HG3 GLU 54 HG1 GLU 54 5.141 2.218 2.467
425 H LEU 55 HN LEU 55 1.010 4.028 2.636
426 HA LEU 55 HA LEU 55 2.395 5.027 0.334
427 HB2 LEU 55 HB2 LEU 55 0.070 3.945 0.318
428 HB3 LEU 55 HB1 LEU 55 -0.554 5.404 1.051
429 HG LEU 55 HG LEU 55 -1.020 5.281 -1.390
430 HD11 LEU 55 HD11 LEU 55 -0.319 7.499 -2.100
431 HD12 LEU 55 HD12 LEU 55 0.862 7.571 -0.788
432 HD13 LEU 55 HD13 LEU 55 -0.862 7.513 -0.422
433 HD21 LEU 55 HD21 LEU 55 0.759 5.475 -3.055
434 HD22 LEU 55 HD22 LEU 55 0.926 4.001 -2.104
435 HD23 LEU 55 HD23 LEU 55 1.982 5.380 -1.784
436 H ARG 56 HN ARG 56 3.728 6.610 1.135
437 HA ARG 56 HA ARG 56 2.819 9.013 2.380
438 HB2 ARG 56 HB2 ARG 56 5.252 8.523 0.613
439 HB3 ARG 56 HB1 ARG 56 4.967 10.006 1.515
440 HG2 ARG 56 HG2 ARG 56 5.405 7.249 2.706
441 HG3 ARG 56 HG1 ARG 56 6.582 8.564 2.657
442 HD2 ARG 56 HD2 ARG 56 3.964 8.514 4.195
443 HD3 ARG 56 HD1 ARG 56 5.598 8.466 4.865
444 HE ARG 56 HE ARG 56 5.631 10.785 3.493
445 HH11 ARG 56 HH11 ARG 56 3.326 9.576 5.886
446 HH12 ARG 56 HH12 ARG 56 2.907 11.164 6.429
447 HH21 ARG 56 HH21 ARG 56 5.015 12.833 4.189
448 HH22 ARG 56 HH22 ARG 56 3.857 13.006 5.471
449 HA PRO 57 HA PRO 57 0.819 10.751 -1.370
450 HB2 PRO 57 HB2 PRO 57 0.266 13.253 -0.375
451 HB3 PRO 57 HB1 PRO 57 -0.680 11.816 0.070
452 HG2 PRO 57 HG2 PRO 57 1.545 13.142 1.596
453 HG3 PRO 57 HG1 PRO 57 -0.026 12.554 2.187
454 HD2 PRO 57 HD2 PRO 57 2.254 11.104 2.496
455 HD3 PRO 57 HD1 PRO 57 0.672 10.329 2.246
456 H ASP 58 HN ASP 58 3.743 11.606 0.110
457 HA ASP 58 HA ASP 58 4.641 13.747 -1.558
458 HB2 ASP 58 HB2 ASP 58 6.333 11.742 0.012
459 HB3 ASP 58 HB1 ASP 58 6.838 13.329 -0.561
460 H VAL 59 HN VAL 59 4.649 10.246 -1.736
461 HA VAL 59 HA VAL 59 6.640 9.663 -3.589
462 HB VAL 59 HB VAL 59 3.983 8.272 -3.036
463 HG11 VAL 59 HG11 VAL 59 6.327 7.132 -4.597
464 HG12 VAL 59 HG12 VAL 59 4.735 7.519 -5.253
465 HG13 VAL 59 HG13 VAL 59 4.908 6.221 -4.070
466 HG21 VAL 59 HG21 VAL 59 5.515 8.382 -1.110
467 HG22 VAL 59 HG22 VAL 59 6.788 7.621 -2.069
468 HG23 VAL 59 HG23 VAL 59 5.323 6.718 -1.672
469 H PHE 60 HN PHE 60 3.461 10.970 -4.103
470 HA PHE 60 HA PHE 60 3.078 10.783 -6.856
471 HB2 PHE 60 HB2 PHE 60 2.324 12.943 -4.854
472 HB3 PHE 60 HB1 PHE 60 1.789 12.987 -6.528
473 HD1 PHE 60 HD1 PHE 60 -0.391 12.285 -6.875
474 HD2 PHE 60 HD2 PHE 60 1.825 10.459 -3.693
475 HE1 PHE 60 HE1 PHE 60 -2.356 10.958 -6.256
476 HE2 PHE 60 HE2 PHE 60 -0.156 9.141 -3.092
477 HZ PHE 60 HZ PHE 60 -2.236 9.401 -4.370
478 H GLY 61 HN GLY 61 4.697 11.211 -8.292
479 HA2 GLY 61 HA2 GLY 61 5.993 12.495 -9.701
480 HA3 GLY 61 HA1 GLY 61 5.429 13.927 -8.859
481 H ALA 62 HN ALA 62 6.896 11.439 -7.001
482 HA ALA 62 HA ALA 62 9.261 13.093 -6.455
483 HB1 ALA 62 HB1 ALA 62 8.138 10.670 -4.979
484 HB2 ALA 62 HB2 ALA 62 7.940 12.363 -4.515
485 HB3 ALA 62 HB3 ALA 62 9.543 11.622 -4.485
Start of MODEL 8
1 H1 MET 1 HT1 MET 1 -8.322 -5.760 12.213
2 H2 MET 1 HT2 MET 1 -8.020 -4.168 12.693
3 H3 MET 1 HT3 MET 1 -7.081 -5.428 13.306
4 HA MET 1 HA MET 1 -7.209 -4.604 10.488
5 HB2 MET 1 HB2 MET 1 -4.948 -3.697 10.773
6 HB3 MET 1 HB1 MET 1 -6.070 -2.909 11.864
7 HG2 MET 1 HG2 MET 1 -4.074 -3.200 13.070
8 HG3 MET 1 HG1 MET 1 -5.168 -4.436 13.690
9 HE1 MET 1 HE1 MET 1 -1.618 -6.159 13.889
10 HE2 MET 1 HE2 MET 1 -3.086 -5.783 14.790
11 HE3 MET 1 HE3 MET 1 -2.035 -4.479 14.231
12 H LYS 2 HN LYS 2 -5.817 -5.735 9.114
13 HA LYS 2 HA LYS 2 -4.713 -8.312 10.031
14 HB2 LYS 2 HB2 LYS 2 -6.472 -7.907 7.549
15 HB3 LYS 2 HB1 LYS 2 -5.683 -9.410 8.025
16 HG2 LYS 2 HG2 LYS 2 -7.096 -9.499 10.067
17 HG3 LYS 2 HG1 LYS 2 -7.877 -7.994 9.567
18 HD2 LYS 2 HD2 LYS 2 -9.274 -9.947 9.008
19 HD3 LYS 2 HD1 LYS 2 -8.762 -9.097 7.548
20 HE2 LYS 2 HE2 LYS 2 -8.611 -11.544 7.273
21 HE3 LYS 2 HE1 LYS 2 -7.017 -10.795 7.162
22 HZ1 LYS 2 HZ1 LYS 2 -6.941 -12.779 8.516
23 HZ2 LYS 2 HZ2 LYS 2 -8.135 -12.178 9.544
24 HZ3 LYS 2 HZ3 LYS 2 -6.625 -11.430 9.481
25 H LYS 3 HN LYS 3 -2.617 -8.159 9.512
26 HA LYS 3 HA LYS 3 -1.634 -6.243 7.574
27 HB2 LYS 3 HB2 LYS 3 -0.216 -8.245 9.384
28 HB3 LYS 3 HB1 LYS 3 0.603 -7.051 8.376
29 HG2 LYS 3 HG2 LYS 3 -0.471 -5.215 9.643
30 HG3 LYS 3 HG1 LYS 3 -1.324 -6.397 10.644
31 HD2 LYS 3 HD2 LYS 3 0.663 -5.523 11.827
32 HD3 LYS 3 HD1 LYS 3 0.835 -7.250 11.500
33 HE2 LYS 3 HE2 LYS 3 2.231 -6.681 9.501
34 HE3 LYS 3 HE1 LYS 3 2.126 -4.981 9.955
35 HZ1 LYS 3 HZ1 LYS 3 4.179 -6.163 10.671
36 HZ2 LYS 3 HZ2 LYS 3 3.234 -7.065 11.748
37 HZ3 LYS 3 HZ3 LYS 3 3.340 -5.387 11.912
38 H ILE 4 HN ILE 4 -1.778 -6.788 5.488
39 HA ILE 4 HA ILE 4 -1.217 -9.555 4.580
40 HB ILE 4 HB ILE 4 -2.600 -7.320 3.044
41 HG12 ILE 4 HG12 ILE 4 -3.819 -9.600 4.653
42 HG13 ILE 4 HG11 ILE 4 -4.051 -7.870 4.905
43 HG21 ILE 4 HG21 ILE 4 -1.566 -9.032 1.588
44 HG22 ILE 4 HG22 ILE 4 -3.324 -9.014 1.452
45 HG23 ILE 4 HG23 ILE 4 -2.522 -10.281 2.392
46 HD11 ILE 4 HD11 ILE 4 -5.012 -9.481 2.560
47 HD12 ILE 4 HD12 ILE 4 -5.214 -7.736 2.755
48 HD13 ILE 4 HD13 ILE 4 -5.979 -8.847 3.886
49 HA PRO 5 HA PRO 5 2.465 -7.868 2.416
50 HB2 PRO 5 HB2 PRO 5 2.252 -10.333 0.716
51 HB3 PRO 5 HB1 PRO 5 3.581 -9.811 1.770
52 HG2 PRO 5 HG2 PRO 5 2.037 -11.899 2.439
53 HG3 PRO 5 HG1 PRO 5 2.639 -10.769 3.680
54 HD2 PRO 5 HD2 PRO 5 -0.095 -10.825 2.364
55 HD3 PRO 5 HD1 PRO 5 0.302 -10.680 4.088
56 H LEU 6 HN LEU 6 2.686 -6.704 0.491
57 HA LEU 6 HA LEU 6 0.481 -5.628 -0.735
58 HB2 LEU 6 HB2 LEU 6 2.702 -4.595 -0.772
59 HB3 LEU 6 HB1 LEU 6 3.306 -5.860 -1.825
60 HG LEU 6 HG LEU 6 1.733 -5.048 -3.624
61 HD11 LEU 6 HD11 LEU 6 0.033 -3.986 -2.238
62 HD12 LEU 6 HD12 LEU 6 0.682 -2.856 -3.423
63 HD13 LEU 6 HD13 LEU 6 1.187 -2.747 -1.733
64 HD21 LEU 6 HD21 LEU 6 4.089 -4.338 -3.579
65 HD22 LEU 6 HD22 LEU 6 3.650 -2.939 -2.596
66 HD23 LEU 6 HD23 LEU 6 3.036 -3.089 -4.244
67 H SER 7 HN SER 7 2.703 -7.997 -2.170
68 HA SER 7 HA SER 7 1.439 -8.358 -4.610
69 HB2 SER 7 HB2 SER 7 3.088 -10.396 -3.063
70 HB3 SER 7 HB1 SER 7 2.868 -10.333 -4.813
71 HG SER 7 HG SER 7 4.213 -8.670 -4.943
72 H LYS 8 HN LYS 8 0.966 -10.056 -1.532
73 HA LYS 8 HA LYS 8 -0.764 -12.089 -2.562
74 HB2 LYS 8 HB2 LYS 8 -0.183 -11.201 0.283
75 HB3 LYS 8 HB1 LYS 8 -1.074 -12.655 -0.144
76 HG2 LYS 8 HG2 LYS 8 1.793 -12.194 -1.035
77 HG3 LYS 8 HG1 LYS 8 1.387 -12.920 0.514
78 HD2 LYS 8 HD2 LYS 8 1.854 -14.739 -0.932
79 HD3 LYS 8 HD1 LYS 8 0.102 -14.706 -0.773
80 HE2 LYS 8 HE2 LYS 8 -0.015 -13.557 -2.994
81 HE3 LYS 8 HE1 LYS 8 1.734 -13.728 -3.138
82 HZ1 LYS 8 HZ1 LYS 8 0.574 -15.479 -4.315
83 HZ2 LYS 8 HZ2 LYS 8 -0.215 -15.961 -2.900
84 HZ3 LYS 8 HZ3 LYS 8 1.463 -16.128 -3.032
85 H TYR 9 HN TYR 9 -1.255 -8.909 -1.187
86 HA TYR 9 HA TYR 9 -4.098 -9.067 -0.914
87 HB2 TYR 9 HB2 TYR 9 -2.798 -7.282 0.218
88 HB3 TYR 9 HB1 TYR 9 -2.286 -6.629 -1.332
89 HD1 TYR 9 HD1 TYR 9 -5.234 -7.188 0.863
90 HD2 TYR 9 HD2 TYR 9 -3.737 -5.107 -2.566
91 HE1 TYR 9 HE1 TYR 9 -7.263 -5.852 0.781
92 HE2 TYR 9 HE2 TYR 9 -5.791 -3.755 -2.634
93 HH TYR 9 HH TYR 9 -8.152 -3.956 -1.880
94 H LEU 10 HN LEU 10 -1.870 -8.000 -3.446
95 HA LEU 10 HA LEU 10 -3.784 -7.105 -5.310
96 HB2 LEU 10 HB2 LEU 10 -0.920 -8.007 -5.760
97 HB3 LEU 10 HB1 LEU 10 -1.900 -7.146 -6.938
98 HG LEU 10 HG LEU 10 -0.963 -6.030 -4.259
99 HD11 LEU 10 HD11 LEU 10 0.452 -4.526 -5.584
100 HD12 LEU 10 HD12 LEU 10 -0.050 -5.346 -7.066
101 HD13 LEU 10 HD13 LEU 10 0.874 -6.219 -5.841
102 HD21 LEU 10 HD21 LEU 10 -2.576 -4.671 -6.433
103 HD22 LEU 10 HD22 LEU 10 -1.885 -3.876 -5.014
104 HD23 LEU 10 HD23 LEU 10 -3.136 -5.100 -4.811
105 H GLU 11 HN GLU 11 -2.597 -10.267 -4.511
106 HA GLU 11 HA GLU 11 -3.581 -11.540 -6.929
107 HB2 GLU 11 HB2 GLU 11 -2.455 -12.706 -4.336
108 HB3 GLU 11 HB1 GLU 11 -2.950 -13.674 -5.720
109 HG2 GLU 11 HG2 GLU 11 -0.697 -11.655 -5.640
110 HG3 GLU 11 HG1 GLU 11 -0.533 -13.406 -5.721
111 H GLU 12 HN GLU 12 -4.565 -11.318 -3.489
112 HA GLU 12 HA GLU 12 -6.711 -13.258 -3.988
113 HB2 GLU 12 HB2 GLU 12 -5.141 -13.612 -2.092
114 HB3 GLU 12 HB1 GLU 12 -5.706 -12.118 -1.356
115 HG2 GLU 12 HG2 GLU 12 -6.743 -14.051 -0.278
116 HG3 GLU 12 HG1 GLU 12 -7.959 -13.075 -1.096
117 H HIS 13 HN HIS 13 -6.407 -9.945 -2.577
118 HA HIS 13 HA HIS 13 -9.308 -9.964 -2.033
119 HB2 HIS 13 HB2 HIS 13 -7.120 -8.099 -1.035
120 HB3 HIS 13 HB1 HIS 13 -8.811 -8.007 -0.559
121 HD1 HIS 13 HD1 HIS 13 -9.588 -9.583 1.290
122 HD2 HIS 13 HD2 HIS 13 -5.745 -10.417 -0.060
123 HE1 HIS 13 HE1 HIS 13 -8.643 -11.253 2.906
124 HE2 HIS 13 HE2 HIS 13 -6.287 -11.649 2.137
125 H GLY 14 HN GLY 14 -6.872 -7.848 -3.621
126 HA2 GLY 14 HA2 GLY 14 -8.905 -6.717 -5.380
127 HA3 GLY 14 HA1 GLY 14 -8.227 -5.585 -4.214
128 H THR 15 HN THR 15 -7.966 -5.089 -6.883
129 HA THR 15 HA THR 15 -5.305 -5.932 -7.758
130 HB THR 15 HB THR 15 -6.280 -4.069 -9.667
131 HG1 THR 15 HG1 THR 15 -8.459 -5.737 -9.016
132 HG21 THR 15 HG21 THR 15 -6.620 -7.070 -9.671
133 HG22 THR 15 HG22 THR 15 -5.172 -6.188 -10.178
134 HG23 THR 15 HG23 THR 15 -6.684 -6.008 -11.078
135 H GLN 16 HN GLN 16 -4.161 -4.026 -9.056
136 HA GLN 16 HA GLN 16 -2.981 -2.432 -7.050
137 HB2 GLN 16 HB2 GLN 16 -2.625 -2.260 -10.076
138 HB3 GLN 16 HB1 GLN 16 -1.602 -1.442 -8.905
139 HG2 GLN 16 HG2 GLN 16 -0.349 -3.316 -9.572
140 HG3 GLN 16 HG1 GLN 16 -1.017 -3.798 -8.018
141 HE21 GLN 16 HE21 GLN 16 -2.652 -5.414 -7.995
142 HE22 GLN 16 HE22 GLN 16 -2.913 -6.445 -9.353
143 H SER 17 HN SER 17 -5.163 -1.784 -9.733
144 HA SER 17 HA SER 17 -5.430 1.038 -9.447
145 HB2 SER 17 HB2 SER 17 -7.391 -0.928 -10.711
146 HB3 SER 17 HB1 SER 17 -7.222 0.792 -11.078
147 HG SER 17 HG SER 17 -4.899 0.028 -11.616
148 H ALA 18 HN ALA 18 -7.387 -1.756 -8.423
149 HA ALA 18 HA ALA 18 -9.483 -0.541 -7.059
150 HB1 ALA 18 HB1 ALA 18 -9.345 -2.970 -7.554
151 HB2 ALA 18 HB2 ALA 18 -9.696 -2.675 -5.844
152 HB3 ALA 18 HB3 ALA 18 -8.065 -3.137 -6.347
153 H LEU 19 HN LEU 19 -6.229 -1.328 -6.025
154 HA LEU 19 HA LEU 19 -6.585 -0.803 -3.250
155 HB2 LEU 19 HB2 LEU 19 -4.874 -2.370 -3.988
156 HB3 LEU 19 HB1 LEU 19 -4.090 -1.137 -4.960
157 HG LEU 19 HG LEU 19 -3.406 0.067 -2.894
158 HD11 LEU 19 HD11 LEU 19 -5.218 -0.574 -1.386
159 HD12 LEU 19 HD12 LEU 19 -3.641 -0.909 -0.681
160 HD13 LEU 19 HD13 LEU 19 -4.610 -2.232 -1.331
161 HD21 LEU 19 HD21 LEU 19 -2.553 -2.846 -2.904
162 HD22 LEU 19 HD22 LEU 19 -1.689 -1.505 -2.145
163 HD23 LEU 19 HD23 LEU 19 -1.869 -1.551 -3.896
164 H ALA 20 HN ALA 20 -5.017 0.936 -5.944
165 HA ALA 20 HA ALA 20 -4.196 3.262 -4.606
166 HB1 ALA 20 HB1 ALA 20 -4.026 4.262 -6.843
167 HB2 ALA 20 HB2 ALA 20 -4.993 2.951 -7.529
168 HB3 ALA 20 HB3 ALA 20 -3.400 2.616 -6.841
169 H ALA 21 HN ALA 21 -7.346 2.391 -5.962
170 HA ALA 21 HA ALA 21 -8.572 4.952 -5.672
171 HB1 ALA 21 HB1 ALA 21 -10.693 3.738 -5.924
172 HB2 ALA 21 HB2 ALA 21 -9.848 2.200 -5.699
173 HB3 ALA 21 HB3 ALA 21 -9.507 3.199 -7.114
174 H ALA 22 HN ALA 22 -8.316 2.096 -3.563
175 HA ALA 22 HA ALA 22 -9.895 3.083 -1.386
176 HB1 ALA 22 HB1 ALA 22 -9.506 0.689 -1.750
177 HB2 ALA 22 HB2 ALA 22 -8.982 1.169 -0.136
178 HB3 ALA 22 HB3 ALA 22 -7.788 0.894 -1.413
179 H LEU 23 HN LEU 23 -6.563 3.456 -2.310
180 HA LEU 23 HA LEU 23 -5.728 4.728 0.188
181 HB2 LEU 23 HB2 LEU 23 -4.242 4.468 -2.466
182 HB3 LEU 23 HB1 LEU 23 -3.551 4.977 -0.934
183 HG LEU 23 HG LEU 23 -4.496 2.193 -1.689
184 HD11 LEU 23 HD11 LEU 23 -2.167 1.532 -1.318
185 HD12 LEU 23 HD12 LEU 23 -1.738 3.205 -0.948
186 HD13 LEU 23 HD13 LEU 23 -2.298 2.772 -2.566
187 HD21 LEU 23 HD21 LEU 23 -5.193 2.574 0.597
188 HD22 LEU 23 HD22 LEU 23 -3.575 3.133 1.034
189 HD23 LEU 23 HD23 LEU 23 -3.833 1.451 0.562
190 H GLY 24 HN GLY 24 -7.125 5.558 -2.846
191 HA2 GLY 24 HA2 GLY 24 -7.851 7.520 -3.762
192 HA3 GLY 24 HA1 GLY 24 -7.370 8.344 -2.286
193 H VAL 25 HN VAL 25 -4.974 6.452 -3.896
194 HA VAL 25 HA VAL 25 -3.470 8.886 -4.644
195 HB VAL 25 HB VAL 25 -1.436 7.656 -4.317
196 HG11 VAL 25 HG11 VAL 25 -3.346 6.856 -2.101
197 HG12 VAL 25 HG12 VAL 25 -2.520 8.411 -2.245
198 HG13 VAL 25 HG13 VAL 25 -1.587 6.941 -1.967
199 HG21 VAL 25 HG21 VAL 25 -2.006 5.505 -5.370
200 HG22 VAL 25 HG22 VAL 25 -3.070 5.097 -4.027
201 HG23 VAL 25 HG23 VAL 25 -1.326 5.221 -3.764
202 H ASN 26 HN ASN 26 -2.120 8.800 -6.593
203 HA ASN 26 HA ASN 26 -3.169 7.347 -8.846
204 HB2 ASN 26 HB2 ASN 26 -0.671 9.052 -8.459
205 HB3 ASN 26 HB1 ASN 26 -0.946 8.162 -9.952
206 HD21 ASN 26 HD21 ASN 26 -1.996 10.848 -8.021
207 HD22 ASN 26 HD22 ASN 26 -3.050 11.545 -9.193
208 H GLN 27 HN GLN 27 -2.338 5.555 -9.848
209 HA GLN 27 HA GLN 27 -1.244 3.486 -8.267
210 HB2 GLN 27 HB2 GLN 27 -1.451 3.594 -11.310
211 HB3 GLN 27 HB1 GLN 27 -1.267 2.137 -10.331
212 HG2 GLN 27 HG2 GLN 27 -3.474 2.462 -9.348
213 HG3 GLN 27 HG1 GLN 27 -3.654 4.002 -10.193
214 HE21 GLN 27 HE21 GLN 27 -5.484 3.373 -11.341
215 HE22 GLN 27 HE22 GLN 27 -5.445 2.182 -12.595
216 H SER 28 HN SER 28 0.238 5.913 -10.230
217 HA SER 28 HA SER 28 2.704 4.911 -10.894
218 HB2 SER 28 HB2 SER 28 2.049 7.730 -9.935
219 HB3 SER 28 HB1 SER 28 3.487 7.271 -10.859
220 HG SER 28 HG SER 28 1.765 8.096 -12.161
221 H ALA 29 HN ALA 29 1.594 6.038 -7.723
222 HA ALA 29 HA ALA 29 4.039 5.864 -6.287
223 HB1 ALA 29 HB1 ALA 29 1.213 5.367 -5.282
224 HB2 ALA 29 HB2 ALA 29 2.020 6.933 -5.354
225 HB3 ALA 29 HB3 ALA 29 2.650 5.683 -4.286
226 H ILE 30 HN ILE 30 1.383 3.476 -6.518
227 HA ILE 30 HA ILE 30 2.560 1.413 -5.067
228 HB ILE 30 HB ILE 30 0.449 1.223 -7.287
229 HG12 ILE 30 HG12 ILE 30 0.193 1.568 -4.248
230 HG13 ILE 30 HG11 ILE 30 -0.250 2.742 -5.480
231 HG21 ILE 30 HG21 ILE 30 1.427 -1.002 -6.849
232 HG22 ILE 30 HG22 ILE 30 -0.231 -0.921 -6.259
233 HG23 ILE 30 HG23 ILE 30 1.114 -0.817 -5.121
234 HD11 ILE 30 HD11 ILE 30 -2.204 1.694 -4.552
235 HD12 ILE 30 HD12 ILE 30 -1.594 0.098 -4.982
236 HD13 ILE 30 HD13 ILE 30 -2.029 1.249 -6.248
237 H SER 31 HN SER 31 2.686 2.088 -8.534
238 HA SER 31 HA SER 31 3.924 -0.259 -9.461
239 HB2 SER 31 HB2 SER 31 4.105 2.561 -10.632
240 HB3 SER 31 HB1 SER 31 4.384 1.046 -11.494
241 HG SER 31 HG SER 31 2.275 0.609 -11.463
242 H GLN 32 HN GLN 32 5.271 2.840 -8.293
243 HA GLN 32 HA GLN 32 8.029 2.104 -8.747
244 HB2 GLN 32 HB2 GLN 32 6.748 4.418 -7.239
245 HB3 GLN 32 HB1 GLN 32 8.489 4.219 -7.390
246 HG2 GLN 32 HG2 GLN 32 6.606 4.523 -9.749
247 HG3 GLN 32 HG1 GLN 32 7.487 5.848 -8.999
248 HE21 GLN 32 HE21 GLN 32 8.612 6.349 -10.895
249 HE22 GLN 32 HE22 GLN 32 9.854 5.339 -11.545
250 H MET 33 HN MET 33 5.795 1.726 -6.108
251 HA MET 33 HA MET 33 7.669 1.113 -4.010
252 HB2 MET 33 HB2 MET 33 4.824 0.055 -4.259
253 HB3 MET 33 HB1 MET 33 5.750 0.302 -2.782
254 HG2 MET 33 HG2 MET 33 5.588 2.766 -3.108
255 HG3 MET 33 HG1 MET 33 4.779 2.472 -4.625
256 HE1 MET 33 HE1 MET 33 4.008 0.250 -1.477
257 HE2 MET 33 HE2 MET 33 2.959 1.353 -0.594
258 HE3 MET 33 HE3 MET 33 4.657 1.771 -0.863
259 H VAL 34 HN VAL 34 5.884 -0.717 -6.415
260 HA VAL 34 HA VAL 34 6.868 -3.339 -5.898
261 HB VAL 34 HB VAL 34 5.453 -1.978 -8.232
262 HG11 VAL 34 HG11 VAL 34 6.145 -4.931 -8.157
263 HG12 VAL 34 HG12 VAL 34 6.844 -3.731 -9.248
264 HG13 VAL 34 HG13 VAL 34 5.127 -4.116 -9.351
265 HG21 VAL 34 HG21 VAL 34 4.499 -4.114 -6.288
266 HG22 VAL 34 HG22 VAL 34 3.536 -3.383 -7.575
267 HG23 VAL 34 HG23 VAL 34 4.095 -2.395 -6.225
268 H ARG 35 HN ARG 35 7.819 -0.704 -8.060
269 HA ARG 35 HA ARG 35 9.819 -2.086 -9.565
270 HB2 ARG 35 HB2 ARG 35 8.484 0.023 -10.196
271 HB3 ARG 35 HB1 ARG 35 9.550 0.935 -9.149
272 HG2 ARG 35 HG2 ARG 35 10.518 -0.621 -11.577
273 HG3 ARG 35 HG1 ARG 35 9.994 1.058 -11.644
274 HD2 ARG 35 HD2 ARG 35 12.396 -0.076 -10.195
275 HD3 ARG 35 HD1 ARG 35 12.373 1.085 -11.527
276 HE ARG 35 HE ARG 35 11.017 2.449 -9.694
277 HH11 ARG 35 HH11 ARG 35 14.049 0.693 -9.343
278 HH12 ARG 35 HH12 ARG 35 14.624 1.720 -8.068
279 HH21 ARG 35 HH21 ARG 35 11.751 3.720 -7.967
280 HH22 ARG 35 HH22 ARG 35 13.324 3.430 -7.290
281 H ALA 36 HN ALA 36 9.771 -0.291 -6.558
282 HA ALA 36 HA ALA 36 12.554 -0.061 -6.057
283 HB1 ALA 36 HB1 ALA 36 10.855 1.200 -4.799
284 HB2 ALA 36 HB2 ALA 36 11.869 0.265 -3.701
285 HB3 ALA 36 HB3 ALA 36 10.238 -0.295 -4.092
286 H GLY 37 HN GLY 37 10.314 -2.715 -5.862
287 HA2 GLY 37 HA2 GLY 37 10.774 -4.995 -5.703
288 HA3 GLY 37 HA1 GLY 37 12.402 -4.630 -5.148
289 H ARG 38 HN ARG 38 9.885 -2.902 -3.598
290 HA ARG 38 HA ARG 38 10.348 -4.346 -1.100
291 HB2 ARG 38 HB2 ARG 38 9.189 -1.620 -1.805
292 HB3 ARG 38 HB1 ARG 38 8.993 -2.294 -0.192
293 HG2 ARG 38 HG2 ARG 38 11.679 -1.768 -1.519
294 HG3 ARG 38 HG1 ARG 38 10.891 -0.691 -0.363
295 HD2 ARG 38 HD2 ARG 38 10.916 -2.603 1.302
296 HD3 ARG 38 HD1 ARG 38 11.897 -3.511 0.155
297 HE ARG 38 HE ARG 38 13.635 -1.806 0.417
298 HH11 ARG 38 HH11 ARG 38 12.171 -1.190 4.125
299 HH12 ARG 38 HH12 ARG 38 11.164 -1.933 2.926
300 HH21 ARG 38 HH21 ARG 38 14.955 -0.857 2.017
301 HH22 ARG 38 HH22 ARG 38 14.323 -0.582 3.605
302 H CYS 39 HN CYS 39 8.929 -5.935 -0.553
303 HA CYS 39 HA CYS 39 6.158 -5.976 -1.391
304 HB2 CYS 39 HB2 CYS 39 7.356 -8.108 -0.976
305 HB3 CYS 39 HB1 CYS 39 7.605 -7.654 0.706
306 HG CYS 39 HG CYS 39 5.534 -8.942 1.482
307 H ILE 40 HN ILE 40 4.632 -4.794 -0.443
308 HA ILE 40 HA ILE 40 5.357 -3.132 1.877
309 HB ILE 40 HB ILE 40 3.265 -2.822 -0.325
310 HG12 ILE 40 HG12 ILE 40 5.564 -2.634 -1.166
311 HG13 ILE 40 HG11 ILE 40 4.763 -1.074 -1.218
312 HG21 ILE 40 HG21 ILE 40 2.450 -1.726 1.680
313 HG22 ILE 40 HG22 ILE 40 2.926 -0.528 0.479
314 HG23 ILE 40 HG23 ILE 40 3.973 -0.854 1.859
315 HD11 ILE 40 HD11 ILE 40 5.979 -0.441 0.848
316 HD12 ILE 40 HD12 ILE 40 7.028 -0.798 -0.523
317 HD13 ILE 40 HD13 ILE 40 6.830 -1.985 0.765
318 H ASP 41 HN ASP 41 3.918 -2.830 3.634
319 HA ASP 41 HA ASP 41 2.057 -5.029 4.108
320 HB2 ASP 41 HB2 ASP 41 3.686 -4.140 5.856
321 HB3 ASP 41 HB1 ASP 41 2.662 -2.709 5.994
322 H ILE 42 HN ILE 42 0.098 -4.853 3.292
323 HA ILE 42 HA ILE 42 -1.381 -2.307 3.210
324 HB ILE 42 HB ILE 42 -2.112 -5.064 2.087
325 HG12 ILE 42 HG12 ILE 42 -0.232 -4.063 0.853
326 HG13 ILE 42 HG11 ILE 42 -1.680 -4.035 -0.144
327 HG21 ILE 42 HG21 ILE 42 -4.140 -3.795 2.643
328 HG22 ILE 42 HG22 ILE 42 -3.949 -3.895 0.894
329 HG23 ILE 42 HG23 ILE 42 -3.548 -2.397 1.739
330 HD11 ILE 42 HD11 ILE 42 -0.414 -1.986 -0.382
331 HD12 ILE 42 HD12 ILE 42 -0.510 -1.682 1.351
332 HD13 ILE 42 HD13 ILE 42 -1.975 -1.646 0.363
333 H GLU 43 HN GLU 43 -2.141 -1.880 5.185
334 HA GLU 43 HA GLU 43 -3.049 -3.826 7.070
335 HB2 GLU 43 HB2 GLU 43 -2.133 -1.650 7.786
336 HB3 GLU 43 HB1 GLU 43 -3.475 -0.803 7.019
337 HG2 GLU 43 HG2 GLU 43 -5.049 -1.986 8.578
338 HG3 GLU 43 HG1 GLU 43 -3.664 -2.718 9.380
339 H LEU 44 HN LEU 44 -4.696 -5.044 6.328
340 HA LEU 44 HA LEU 44 -7.084 -3.964 5.089
341 HB2 LEU 44 HB2 LEU 44 -6.291 -6.144 4.353
342 HB3 LEU 44 HB1 LEU 44 -6.283 -6.761 5.995
343 HG LEU 44 HG LEU 44 -8.821 -6.528 6.014
344 HD11 LEU 44 HD11 LEU 44 -9.081 -4.891 4.227
345 HD12 LEU 44 HD12 LEU 44 -10.006 -6.351 3.890
346 HD13 LEU 44 HD13 LEU 44 -8.479 -6.060 3.046
347 HD21 LEU 44 HD21 LEU 44 -7.695 -8.689 5.602
348 HD22 LEU 44 HD22 LEU 44 -7.750 -8.364 3.867
349 HD23 LEU 44 HD23 LEU 44 -9.249 -8.558 4.780
350 H TYR 45 HN TYR 45 -8.315 -2.782 6.477
351 HA TYR 45 HA TYR 45 -8.916 -3.240 9.184
352 HB2 TYR 45 HB2 TYR 45 -10.647 -2.071 6.959
353 HB3 TYR 45 HB1 TYR 45 -11.089 -2.008 8.657
354 HD1 TYR 45 HD1 TYR 45 -10.427 -0.119 9.941
355 HD2 TYR 45 HD2 TYR 45 -8.382 -0.933 6.277
356 HE1 TYR 45 HE1 TYR 45 -9.244 2.030 10.118
357 HE2 TYR 45 HE2 TYR 45 -7.194 1.207 6.463
358 HH TYR 45 HH TYR 45 -7.668 3.479 7.601
359 H THR 46 HN THR 46 -10.699 -4.356 10.146
360 HA THR 46 HA THR 46 -10.850 -7.026 9.357
361 HB THR 46 HB THR 46 -12.692 -5.586 11.320
362 HG1 THR 46 HG1 THR 46 -11.049 -5.617 12.713
363 HG21 THR 46 HG21 THR 46 -12.774 -7.755 12.509
364 HG22 THR 46 HG22 THR 46 -11.753 -8.488 11.271
365 HG23 THR 46 HG23 THR 46 -13.378 -7.937 10.859
366 H ASP 47 HN ASP 47 -12.990 -4.369 8.549
367 HA ASP 47 HA ASP 47 -15.262 -6.005 7.777
368 HB2 ASP 47 HB2 ASP 47 -16.399 -3.955 7.349
369 HB3 ASP 47 HB1 ASP 47 -15.405 -3.657 8.769
370 H GLY 48 HN GLY 48 -12.401 -4.901 6.213
371 HA2 GLY 48 HA2 GLY 48 -11.848 -5.978 4.073
372 HA3 GLY 48 HA1 GLY 48 -13.471 -5.603 3.521
373 H ARG 49 HN ARG 49 -12.611 -2.895 5.196
374 HA ARG 49 HA ARG 49 -11.714 -1.335 2.949
375 HB2 ARG 49 HB2 ARG 49 -13.033 -0.321 4.763
376 HB3 ARG 49 HB1 ARG 49 -11.810 -0.743 5.953
377 HG2 ARG 49 HG2 ARG 49 -11.698 1.633 5.472
378 HG3 ARG 49 HG1 ARG 49 -10.234 0.854 4.871
379 HD2 ARG 49 HD2 ARG 49 -11.236 0.859 2.571
380 HD3 ARG 49 HD1 ARG 49 -12.630 1.735 3.218
381 HE ARG 49 HE ARG 49 -10.213 3.089 3.848
382 HH11 ARG 49 HH11 ARG 49 -11.922 3.991 0.311
383 HH12 ARG 49 HH12 ARG 49 -12.369 2.525 1.113
384 HH21 ARG 49 HH21 ARG 49 -9.638 4.999 2.788
385 HH22 ARG 49 HH22 ARG 49 -10.363 5.402 1.265
386 H VAL 50 HN VAL 50 -9.512 -0.342 2.719
387 HA VAL 50 HA VAL 50 -7.400 -1.524 4.426
388 HB VAL 50 HB VAL 50 -5.870 -1.816 2.505
389 HG11 VAL 50 HG11 VAL 50 -7.109 -3.742 3.337
390 HG12 VAL 50 HG12 VAL 50 -6.818 -3.859 1.609
391 HG13 VAL 50 HG13 VAL 50 -8.420 -3.420 2.199
392 HG21 VAL 50 HG21 VAL 50 -6.725 -1.814 0.173
393 HG22 VAL 50 HG22 VAL 50 -6.815 -0.219 0.920
394 HG23 VAL 50 HG23 VAL 50 -8.276 -1.190 0.751
395 H GLU 51 HN GLU 51 -5.450 -0.438 4.525
396 HA GLU 51 HA GLU 51 -5.072 2.099 3.148
397 HB2 GLU 51 HB2 GLU 51 -6.112 2.745 5.321
398 HB3 GLU 51 HB1 GLU 51 -4.863 1.859 6.190
399 HG2 GLU 51 HG2 GLU 51 -4.412 4.275 6.208
400 HG3 GLU 51 HG1 GLU 51 -3.148 3.395 5.353
401 H CYS 52 HN CYS 52 -2.881 2.472 2.724
402 HA CYS 52 HA CYS 52 -1.106 0.179 3.169
403 HB2 CYS 52 HB2 CYS 52 -1.321 1.056 0.877
404 HB3 CYS 52 HB1 CYS 52 -0.751 2.638 1.407
405 HG CYS 52 HG CYS 52 1.227 1.217 -0.038
406 H ARG 53 HN ARG 53 0.539 0.227 4.563
407 HA ARG 53 HA ARG 53 0.771 2.445 6.406
408 HB2 ARG 53 HB2 ARG 53 2.229 -0.226 6.286
409 HB3 ARG 53 HB1 ARG 53 2.321 0.914 7.628
410 HG2 ARG 53 HG2 ARG 53 -0.133 -0.615 6.705
411 HG3 ARG 53 HG1 ARG 53 0.790 -0.880 8.185
412 HD2 ARG 53 HD2 ARG 53 -0.882 1.571 7.511
413 HD3 ARG 53 HD1 ARG 53 -1.261 0.320 8.700
414 HE ARG 53 HE ARG 53 1.247 1.764 9.109
415 HH11 ARG 53 HH11 ARG 53 -1.929 2.459 11.476
416 HH12 ARG 53 HH12 ARG 53 -2.152 1.557 10.014
417 HH21 ARG 53 HH21 ARG 53 1.505 2.915 11.047
418 HH22 ARG 53 HH22 ARG 53 0.133 3.226 12.061
419 H GLU 54 HN GLU 54 2.632 1.138 3.735
420 HA GLU 54 HA GLU 54 4.994 2.773 4.324
421 HB2 GLU 54 HB2 GLU 54 5.102 0.370 3.431
422 HB3 GLU 54 HB1 GLU 54 4.566 1.011 1.886
423 HG2 GLU 54 HG2 GLU 54 6.951 0.777 1.800
424 HG3 GLU 54 HG1 GLU 54 6.591 2.500 1.873
425 H LEU 55 HN LEU 55 2.045 3.324 2.778
426 HA LEU 55 HA LEU 55 3.238 5.273 0.901
427 HB2 LEU 55 HB2 LEU 55 2.152 3.073 -0.094
428 HB3 LEU 55 HB1 LEU 55 0.628 3.860 0.240
429 HG LEU 55 HG LEU 55 1.425 4.094 -2.140
430 HD11 LEU 55 HD11 LEU 55 0.946 6.478 -2.436
431 HD12 LEU 55 HD12 LEU 55 1.146 6.744 -0.701
432 HD13 LEU 55 HD13 LEU 55 -0.170 5.730 -1.292
433 HD21 LEU 55 HD21 LEU 55 3.301 5.555 -2.688
434 HD22 LEU 55 HD22 LEU 55 3.843 4.240 -1.650
435 HD23 LEU 55 HD23 LEU 55 3.610 5.853 -0.974
436 H ARG 56 HN ARG 56 2.903 7.058 2.064
437 HA ARG 56 HA ARG 56 0.165 7.966 2.556
438 HB2 ARG 56 HB2 ARG 56 2.869 9.266 3.038
439 HB3 ARG 56 HB1 ARG 56 1.324 10.072 3.329
440 HG2 ARG 56 HG2 ARG 56 0.702 8.291 4.943
441 HG3 ARG 56 HG1 ARG 56 2.272 7.520 4.678
442 HD2 ARG 56 HD2 ARG 56 2.297 8.834 6.714
443 HD3 ARG 56 HD1 ARG 56 3.395 9.528 5.524
444 HE ARG 56 HE ARG 56 1.098 10.922 5.157
445 HH11 ARG 56 HH11 ARG 56 2.668 11.886 8.733
446 HH12 ARG 56 HH12 ARG 56 3.108 10.370 8.010
447 HH21 ARG 56 HH21 ARG 56 1.212 13.298 7.655
448 HH22 ARG 56 HH22 ARG 56 0.539 12.863 6.116
449 HA PRO 57 HA PRO 57 -0.538 9.272 -1.567
450 HB2 PRO 57 HB2 PRO 57 -1.817 11.757 -1.243
451 HB3 PRO 57 HB1 PRO 57 -2.586 10.174 -1.039
452 HG2 PRO 57 HG2 PRO 57 -1.421 11.974 1.070
453 HG3 PRO 57 HG1 PRO 57 -2.960 11.078 1.077
454 HD2 PRO 57 HD2 PRO 57 -0.885 10.108 2.422
455 HD3 PRO 57 HD1 PRO 57 -1.907 9.003 1.470
456 H ASP 58 HN ASP 58 1.138 11.668 0.359
457 HA ASP 58 HA ASP 58 1.732 13.500 -1.773
458 HB2 ASP 58 HB2 ASP 58 3.054 14.687 -0.022
459 HB3 ASP 58 HB1 ASP 58 1.431 14.278 0.524
460 H VAL 59 HN VAL 59 2.975 10.534 -1.118
461 HA VAL 59 HA VAL 59 5.657 10.422 -1.110
462 HB VAL 59 HB VAL 59 4.170 8.459 -1.065
463 HG11 VAL 59 HG11 VAL 59 3.231 7.453 -3.088
464 HG12 VAL 59 HG12 VAL 59 3.801 8.824 -4.041
465 HG13 VAL 59 HG13 VAL 59 2.579 9.067 -2.794
466 HG21 VAL 59 HG21 VAL 59 5.581 6.880 -2.335
467 HG22 VAL 59 HG22 VAL 59 6.567 8.094 -1.518
468 HG23 VAL 59 HG23 VAL 59 6.270 8.225 -3.252
469 H PHE 60 HN PHE 60 3.728 10.835 -4.087
470 HA PHE 60 HA PHE 60 6.032 12.029 -5.503
471 HB2 PHE 60 HB2 PHE 60 4.110 9.944 -6.669
472 HB3 PHE 60 HB1 PHE 60 5.309 10.833 -7.593
473 HD1 PHE 60 HD1 PHE 60 7.825 10.576 -6.658
474 HD2 PHE 60 HD2 PHE 60 4.673 7.752 -6.017
475 HE1 PHE 60 HE1 PHE 60 9.487 8.797 -6.267
476 HE2 PHE 60 HE2 PHE 60 6.344 5.983 -5.623
477 HZ PHE 60 HZ PHE 60 8.747 6.506 -5.746
478 H GLY 61 HN GLY 61 3.515 12.990 -4.080
479 HA2 GLY 61 HA2 GLY 61 1.689 14.355 -4.353
480 HA3 GLY 61 HA1 GLY 61 2.345 14.804 -5.928
481 H ALA 62 HN ALA 62 1.339 11.671 -4.658
482 HA ALA 62 HA ALA 62 -0.150 11.037 -7.088
483 HB1 ALA 62 HB1 ALA 62 -0.103 8.721 -6.224
484 HB2 ALA 62 HB2 ALA 62 0.644 9.282 -4.723
485 HB3 ALA 62 HB3 ALA 62 1.521 9.420 -6.248
Start of MODEL 9
1 H1 MET 1 HT1 MET 1 -6.775 -2.565 12.843
2 H2 MET 1 HT2 MET 1 -5.130 -2.937 12.882
3 H3 MET 1 HT3 MET 1 -6.268 -4.117 13.279
4 HA MET 1 HA MET 1 -7.130 -4.128 11.072
5 HB2 MET 1 HB2 MET 1 -6.010 -2.860 9.268
6 HB3 MET 1 HB1 MET 1 -6.690 -1.787 10.483
7 HG2 MET 1 HG2 MET 1 -3.767 -2.547 10.317
8 HG3 MET 1 HG1 MET 1 -4.469 -1.070 9.651
9 HE1 MET 1 HE1 MET 1 -1.988 -1.035 11.663
10 HE2 MET 1 HE2 MET 1 -2.460 0.294 12.720
11 HE3 MET 1 HE3 MET 1 -2.723 0.413 10.979
12 H LYS 2 HN LYS 2 -6.053 -5.275 9.260
13 HA LYS 2 HA LYS 2 -3.929 -7.048 10.259
14 HB2 LYS 2 HB2 LYS 2 -5.675 -7.362 7.766
15 HB3 LYS 2 HB1 LYS 2 -4.607 -8.582 8.451
16 HG2 LYS 2 HG2 LYS 2 -7.159 -7.507 9.680
17 HG3 LYS 2 HG1 LYS 2 -6.911 -9.114 8.989
18 HD2 LYS 2 HD2 LYS 2 -5.286 -9.639 10.780
19 HD3 LYS 2 HD1 LYS 2 -5.491 -8.020 11.455
20 HE2 LYS 2 HE2 LYS 2 -6.788 -9.628 12.742
21 HE3 LYS 2 HE1 LYS 2 -7.880 -8.528 11.901
22 HZ1 LYS 2 HZ1 LYS 2 -7.174 -11.273 11.018
23 HZ2 LYS 2 HZ2 LYS 2 -8.238 -10.227 10.225
24 HZ3 LYS 2 HZ3 LYS 2 -8.625 -10.818 11.762
25 H LYS 3 HN LYS 3 -2.217 -7.714 8.710
26 HA LYS 3 HA LYS 3 -1.512 -5.623 6.727
27 HB2 LYS 3 HB2 LYS 3 0.832 -6.182 7.059
28 HB3 LYS 3 HB1 LYS 3 0.109 -5.816 8.620
29 HG2 LYS 3 HG2 LYS 3 -0.024 -8.214 9.137
30 HG3 LYS 3 HG1 LYS 3 0.670 -8.605 7.562
31 HD2 LYS 3 HD2 LYS 3 2.734 -7.312 8.226
32 HD3 LYS 3 HD1 LYS 3 2.041 -7.119 9.841
33 HE2 LYS 3 HE2 LYS 3 2.787 -9.730 8.483
34 HE3 LYS 3 HE1 LYS 3 3.625 -8.969 9.832
35 HZ1 LYS 3 HZ1 LYS 3 0.873 -10.085 9.875
36 HZ2 LYS 3 HZ2 LYS 3 1.612 -9.289 11.172
37 HZ3 LYS 3 HZ3 LYS 3 2.241 -10.756 10.608
38 H ILE 4 HN ILE 4 -1.127 -6.252 4.661
39 HA ILE 4 HA ILE 4 -0.769 -9.119 4.014
40 HB ILE 4 HB ILE 4 -2.446 -7.151 2.407
41 HG12 ILE 4 HG12 ILE 4 -3.264 -9.607 4.008
42 HG13 ILE 4 HG11 ILE 4 -3.778 -7.941 4.267
43 HG21 ILE 4 HG21 ILE 4 -1.185 -8.646 0.902
44 HG22 ILE 4 HG22 ILE 4 -2.919 -8.934 0.802
45 HG23 ILE 4 HG23 ILE 4 -1.889 -10.051 1.708
46 HD11 ILE 4 HD11 ILE 4 -4.879 -8.055 2.006
47 HD12 ILE 4 HD12 ILE 4 -5.573 -9.071 3.277
48 HD13 ILE 4 HD13 ILE 4 -4.539 -9.791 2.041
49 HA PRO 5 HA PRO 5 2.911 -7.430 1.968
50 HB2 PRO 5 HB2 PRO 5 2.681 -9.882 0.214
51 HB3 PRO 5 HB1 PRO 5 4.035 -9.352 1.243
52 HG2 PRO 5 HG2 PRO 5 2.523 -11.432 1.959
53 HG3 PRO 5 HG1 PRO 5 3.108 -10.276 3.183
54 HD2 PRO 5 HD2 PRO 5 0.383 -10.435 1.883
55 HD3 PRO 5 HD1 PRO 5 0.782 -10.193 3.593
56 H LEU 6 HN LEU 6 3.075 -6.040 0.261
57 HA LEU 6 HA LEU 6 0.921 -5.012 -1.068
58 HB2 LEU 6 HB2 LEU 6 3.026 -3.805 -0.776
59 HB3 LEU 6 HB1 LEU 6 3.855 -4.923 -1.841
60 HG LEU 6 HG LEU 6 2.519 -4.072 -3.765
61 HD11 LEU 6 HD11 LEU 6 1.207 -2.014 -3.563
62 HD12 LEU 6 HD12 LEU 6 1.417 -2.034 -1.811
63 HD13 LEU 6 HD13 LEU 6 0.509 -3.320 -2.610
64 HD21 LEU 6 HD21 LEU 6 4.742 -3.133 -3.314
65 HD22 LEU 6 HD22 LEU 6 4.026 -1.903 -2.271
66 HD23 LEU 6 HD23 LEU 6 3.666 -1.919 -3.998
67 H SER 7 HN SER 7 3.366 -7.183 -2.438
68 HA SER 7 HA SER 7 2.348 -7.372 -5.048
69 HB2 SER 7 HB2 SER 7 4.081 -9.345 -3.516
70 HB3 SER 7 HB1 SER 7 3.889 -9.286 -5.273
71 HG SER 7 HG SER 7 4.745 -7.149 -5.202
72 H LYS 8 HN LYS 8 1.866 -9.508 -2.214
73 HA LYS 8 HA LYS 8 0.204 -11.405 -3.527
74 HB2 LYS 8 HB2 LYS 8 0.647 -10.771 -0.598
75 HB3 LYS 8 HB1 LYS 8 -0.595 -11.920 -1.090
76 HG2 LYS 8 HG2 LYS 8 1.269 -13.142 -2.382
77 HG3 LYS 8 HG1 LYS 8 2.402 -12.150 -1.456
78 HD2 LYS 8 HD2 LYS 8 1.640 -13.090 0.636
79 HD3 LYS 8 HD1 LYS 8 0.260 -13.864 -0.150
80 HE2 LYS 8 HE2 LYS 8 1.968 -15.523 0.360
81 HE3 LYS 8 HE1 LYS 8 1.804 -15.356 -1.385
82 HZ1 LYS 8 HZ1 LYS 8 3.787 -13.940 -1.359
83 HZ2 LYS 8 HZ2 LYS 8 4.100 -15.492 -0.765
84 HZ3 LYS 8 HZ3 LYS 8 3.949 -14.194 0.309
85 H TYR 9 HN TYR 9 -0.494 -8.349 -1.941
86 HA TYR 9 HA TYR 9 -3.324 -8.667 -1.788
87 HB2 TYR 9 HB2 TYR 9 -2.200 -7.014 -0.371
88 HB3 TYR 9 HB1 TYR 9 -1.611 -6.137 -1.765
89 HD1 TYR 9 HD1 TYR 9 -4.600 -6.948 0.245
90 HD2 TYR 9 HD2 TYR 9 -3.084 -4.623 -3.021
91 HE1 TYR 9 HE1 TYR 9 -6.669 -5.671 0.190
92 HE2 TYR 9 HE2 TYR 9 -5.180 -3.333 -3.053
93 HH TYR 9 HH TYR 9 -7.528 -3.676 -2.388
94 H LEU 10 HN LEU 10 -1.169 -7.121 -4.151
95 HA LEU 10 HA LEU 10 -3.089 -5.990 -5.872
96 HB2 LEU 10 HB2 LEU 10 -0.256 -6.940 -6.435
97 HB3 LEU 10 HB1 LEU 10 -1.202 -5.973 -7.552
98 HG LEU 10 HG LEU 10 -0.360 -5.049 -4.778
99 HD11 LEU 10 HD11 LEU 10 1.599 -5.318 -6.219
100 HD12 LEU 10 HD12 LEU 10 1.277 -3.616 -5.907
101 HD13 LEU 10 HD13 LEU 10 0.846 -4.321 -7.468
102 HD21 LEU 10 HD21 LEU 10 -1.638 -3.498 -7.054
103 HD22 LEU 10 HD22 LEU 10 -1.090 -2.822 -5.515
104 HD23 LEU 10 HD23 LEU 10 -2.425 -3.970 -5.545
105 H GLU 11 HN GLU 11 -1.826 -9.247 -5.664
106 HA GLU 11 HA GLU 11 -2.974 -10.048 -8.243
107 HB2 GLU 11 HB2 GLU 11 -1.267 -11.572 -6.235
108 HB3 GLU 11 HB1 GLU 11 -1.798 -12.204 -7.789
109 HG2 GLU 11 HG2 GLU 11 0.083 -9.868 -7.326
110 HG3 GLU 11 HG1 GLU 11 0.504 -11.455 -7.965
111 H GLU 12 HN GLU 12 -3.494 -10.573 -4.778
112 HA GLU 12 HA GLU 12 -5.298 -12.835 -5.283
113 HB2 GLU 12 HB2 GLU 12 -3.517 -13.054 -3.567
114 HB3 GLU 12 HB1 GLU 12 -4.212 -11.719 -2.662
115 HG2 GLU 12 HG2 GLU 12 -4.829 -13.728 -1.557
116 HG3 GLU 12 HG1 GLU 12 -6.281 -13.109 -2.339
117 H HIS 13 HN HIS 13 -5.364 -9.696 -3.500
118 HA HIS 13 HA HIS 13 -8.223 -10.067 -2.880
119 HB2 HIS 13 HB2 HIS 13 -6.064 -8.221 -1.826
120 HB3 HIS 13 HB1 HIS 13 -7.760 -7.901 -1.489
121 HD1 HIS 13 HD1 HIS 13 -8.582 -8.879 0.603
122 HD2 HIS 13 HD2 HIS 13 -5.300 -10.972 -0.877
123 HE1 HIS 13 HE1 HIS 13 -8.047 -10.603 2.337
124 HE2 HIS 13 HE2 HIS 13 -6.239 -12.023 1.307
125 H GLY 14 HN GLY 14 -6.109 -7.619 -4.372
126 HA2 GLY 14 HA2 GLY 14 -8.449 -6.329 -5.649
127 HA3 GLY 14 HA1 GLY 14 -7.266 -5.386 -4.736
128 H THR 15 HN THR 15 -6.498 -4.180 -6.447
129 HA THR 15 HA THR 15 -4.624 -5.465 -8.210
130 HB THR 15 HB THR 15 -5.949 -3.781 -10.087
131 HG1 THR 15 HG1 THR 15 -7.842 -5.232 -8.558
132 HG21 THR 15 HG21 THR 15 -6.086 -6.790 -9.840
133 HG22 THR 15 HG22 THR 15 -4.796 -5.856 -10.607
134 HG23 THR 15 HG23 THR 15 -6.424 -5.845 -11.299
135 H GLN 16 HN GLN 16 -3.735 -3.649 -9.783
136 HA GLN 16 HA GLN 16 -2.357 -1.905 -8.032
137 HB2 GLN 16 HB2 GLN 16 -2.265 -2.089 -11.068
138 HB3 GLN 16 HB1 GLN 16 -1.173 -1.101 -10.107
139 HG2 GLN 16 HG2 GLN 16 0.034 -3.068 -10.665
140 HG3 GLN 16 HG1 GLN 16 -0.387 -3.227 -8.967
141 HE21 GLN 16 HE21 GLN 16 -0.019 -5.505 -9.166
142 HE22 GLN 16 HE22 GLN 16 -1.190 -6.541 -9.904
143 H SER 17 HN SER 17 -4.675 -1.396 -10.642
144 HA SER 17 HA SER 17 -4.952 1.433 -10.436
145 HB2 SER 17 HB2 SER 17 -6.966 -0.600 -11.479
146 HB3 SER 17 HB1 SER 17 -6.934 1.123 -11.861
147 HG SER 17 HG SER 17 -4.588 -0.260 -12.408
148 H ALA 18 HN ALA 18 -6.638 -1.329 -9.081
149 HA ALA 18 HA ALA 18 -8.843 -0.041 -7.884
150 HB1 ALA 18 HB1 ALA 18 -8.737 -2.458 -8.388
151 HB2 ALA 18 HB2 ALA 18 -9.165 -2.157 -6.703
152 HB3 ALA 18 HB3 ALA 18 -7.524 -2.660 -7.116
153 H LEU 19 HN LEU 19 -5.620 -0.820 -6.735
154 HA LEU 19 HA LEU 19 -6.167 -0.251 -3.962
155 HB2 LEU 19 HB2 LEU 19 -4.416 -1.875 -4.468
156 HB3 LEU 19 HB1 LEU 19 -3.532 -0.693 -5.419
157 HG LEU 19 HG LEU 19 -3.063 0.617 -3.354
158 HD11 LEU 19 HD11 LEU 19 -4.991 0.019 -1.978
159 HD12 LEU 19 HD12 LEU 19 -3.490 -0.308 -1.120
160 HD13 LEU 19 HD13 LEU 19 -4.402 -1.642 -1.828
161 HD21 LEU 19 HD21 LEU 19 -1.413 -1.003 -4.145
162 HD22 LEU 19 HD22 LEU 19 -2.171 -2.281 -3.191
163 HD23 LEU 19 HD23 LEU 19 -1.397 -0.913 -2.387
164 H ALA 20 HN ALA 20 -4.384 1.343 -6.599
165 HA ALA 20 HA ALA 20 -3.703 3.771 -5.393
166 HB1 ALA 20 HB1 ALA 20 -2.905 3.077 -7.623
167 HB2 ALA 20 HB2 ALA 20 -3.618 4.688 -7.683
168 HB3 ALA 20 HB3 ALA 20 -4.526 3.300 -8.288
169 H ALA 21 HN ALA 21 -6.762 2.818 -6.990
170 HA ALA 21 HA ALA 21 -8.146 5.276 -6.759
171 HB1 ALA 21 HB1 ALA 21 -10.193 3.951 -7.134
172 HB2 ALA 21 HB2 ALA 21 -9.300 2.463 -6.810
173 HB3 ALA 21 HB3 ALA 21 -8.900 3.437 -8.222
174 H ALA 22 HN ALA 22 -7.961 2.451 -4.632
175 HA ALA 22 HA ALA 22 -9.807 3.175 -2.640
176 HB1 ALA 22 HB1 ALA 22 -7.321 1.446 -2.371
177 HB2 ALA 22 HB2 ALA 22 -8.914 0.896 -2.899
178 HB3 ALA 22 HB3 ALA 22 -8.683 1.477 -1.249
179 H LEU 23 HN LEU 23 -6.344 3.812 -2.953
180 HA LEU 23 HA LEU 23 -6.053 5.163 -0.417
181 HB2 LEU 23 HB2 LEU 23 -4.175 5.170 -2.816
182 HB3 LEU 23 HB1 LEU 23 -3.765 5.634 -1.171
183 HG LEU 23 HG LEU 23 -4.472 2.828 -2.104
184 HD11 LEU 23 HD11 LEU 23 -1.786 3.929 -1.251
185 HD12 LEU 23 HD12 LEU 23 -2.267 3.503 -2.894
186 HD13 LEU 23 HD13 LEU 23 -2.140 2.248 -1.664
187 HD21 LEU 23 HD21 LEU 23 -3.689 3.759 0.664
188 HD22 LEU 23 HD22 LEU 23 -3.850 2.076 0.160
189 HD23 LEU 23 HD23 LEU 23 -5.262 3.132 0.162
190 H GLY 24 HN GLY 24 -6.906 6.050 -3.670
191 HA2 GLY 24 HA2 GLY 24 -7.728 8.038 -4.543
192 HA3 GLY 24 HA1 GLY 24 -7.422 8.823 -2.997
193 H VAL 25 HN VAL 25 -5.314 7.072 -5.224
194 HA VAL 25 HA VAL 25 -3.538 9.368 -5.642
195 HB VAL 25 HB VAL 25 -1.533 8.143 -5.063
196 HG11 VAL 25 HG11 VAL 25 -2.739 9.194 -3.180
197 HG12 VAL 25 HG12 VAL 25 -1.774 7.811 -2.679
198 HG13 VAL 25 HG13 VAL 25 -3.521 7.644 -2.838
199 HG21 VAL 25 HG21 VAL 25 -3.243 5.677 -4.501
200 HG22 VAL 25 HG22 VAL 25 -1.514 5.816 -4.181
201 HG23 VAL 25 HG23 VAL 25 -2.105 5.874 -5.840
202 H ASN 26 HN ASN 26 -1.739 8.603 -7.225
203 HA ASN 26 HA ASN 26 -2.998 7.331 -9.552
204 HB2 ASN 26 HB2 ASN 26 -0.320 8.768 -9.220
205 HB3 ASN 26 HB1 ASN 26 -0.972 8.184 -10.751
206 HD21 ASN 26 HD21 ASN 26 -2.845 9.232 -11.609
207 HD22 ASN 26 HD22 ASN 26 -3.279 10.831 -11.126
208 H GLN 27 HN GLN 27 -1.809 5.676 -10.763
209 HA GLN 27 HA GLN 27 -0.720 3.563 -9.136
210 HB2 GLN 27 HB2 GLN 27 -0.806 3.807 -12.174
211 HB3 GLN 27 HB1 GLN 27 -0.394 2.347 -11.276
212 HG2 GLN 27 HG2 GLN 27 -2.666 2.314 -10.300
213 HG3 GLN 27 HG1 GLN 27 -3.075 3.755 -11.241
214 HE21 GLN 27 HE21 GLN 27 -3.278 3.558 -13.519
215 HE22 GLN 27 HE22 GLN 27 -3.471 2.023 -14.286
216 H SER 28 HN SER 28 0.643 6.261 -10.760
217 HA SER 28 HA SER 28 3.307 5.628 -11.157
218 HB2 SER 28 HB2 SER 28 3.777 8.012 -10.666
219 HB3 SER 28 HB1 SER 28 2.290 7.864 -11.606
220 HG SER 28 HG SER 28 2.339 9.260 -9.598
221 H ALA 29 HN ALA 29 1.633 6.433 -8.137
222 HA ALA 29 HA ALA 29 3.736 6.130 -6.261
223 HB1 ALA 29 HB1 ALA 29 1.528 7.094 -5.727
224 HB2 ALA 29 HB2 ALA 29 1.930 5.771 -4.641
225 HB3 ALA 29 HB3 ALA 29 0.769 5.511 -5.942
226 H ILE 30 HN ILE 30 1.250 3.716 -7.250
227 HA ILE 30 HA ILE 30 2.111 1.665 -5.534
228 HB ILE 30 HB ILE 30 0.666 1.266 -8.208
229 HG12 ILE 30 HG12 ILE 30 -0.555 2.924 -6.893
230 HG13 ILE 30 HG11 ILE 30 -1.456 1.417 -6.891
231 HG21 ILE 30 HG21 ILE 30 0.708 -0.520 -5.741
232 HG22 ILE 30 HG22 ILE 30 1.473 -0.860 -7.294
233 HG23 ILE 30 HG23 ILE 30 -0.283 -0.780 -7.179
234 HD11 ILE 30 HD11 ILE 30 -1.547 2.449 -4.715
235 HD12 ILE 30 HD12 ILE 30 0.212 2.521 -4.626
236 HD13 ILE 30 HD13 ILE 30 -0.611 0.959 -4.607
237 H SER 31 HN SER 31 2.723 1.971 -9.061
238 HA SER 31 HA SER 31 4.430 -0.231 -9.403
239 HB2 SER 31 HB2 SER 31 4.316 2.359 -11.016
240 HB3 SER 31 HB1 SER 31 5.021 0.833 -11.563
241 HG SER 31 HG SER 31 3.044 0.617 -12.318
242 H GLN 32 HN GLN 32 5.186 3.090 -8.348
243 HA GLN 32 HA GLN 32 8.038 2.905 -8.580
244 HB2 GLN 32 HB2 GLN 32 6.794 5.086 -8.301
245 HB3 GLN 32 HB1 GLN 32 6.465 4.655 -6.627
246 HG2 GLN 32 HG2 GLN 32 8.940 4.560 -6.226
247 HG3 GLN 32 HG1 GLN 32 9.197 5.145 -7.869
248 HE21 GLN 32 HE21 GLN 32 8.206 5.969 -4.648
249 HE22 GLN 32 HE22 GLN 32 8.142 7.677 -4.879
250 H MET 33 HN MET 33 5.780 2.428 -5.928
251 HA MET 33 HA MET 33 7.530 1.805 -3.813
252 HB2 MET 33 HB2 MET 33 4.680 0.841 -4.219
253 HB3 MET 33 HB1 MET 33 5.536 0.982 -2.688
254 HG2 MET 33 HG2 MET 33 5.491 3.424 -2.833
255 HG3 MET 33 HG1 MET 33 4.886 3.341 -4.463
256 HE1 MET 33 HE1 MET 33 4.099 2.126 -0.819
257 HE2 MET 33 HE2 MET 33 3.575 0.776 -1.837
258 HE3 MET 33 HE3 MET 33 2.379 1.733 -0.961
259 H VAL 34 HN VAL 34 5.947 -0.178 -6.246
260 HA VAL 34 HA VAL 34 6.714 -2.756 -5.358
261 HB VAL 34 HB VAL 34 5.839 -1.695 -8.090
262 HG11 VAL 34 HG11 VAL 34 6.171 -4.614 -7.314
263 HG12 VAL 34 HG12 VAL 34 7.168 -3.723 -8.465
264 HG13 VAL 34 HG13 VAL 34 5.466 -4.002 -8.817
265 HG21 VAL 34 HG21 VAL 34 4.316 -3.335 -6.017
266 HG22 VAL 34 HG22 VAL 34 3.679 -2.757 -7.559
267 HG23 VAL 34 HG23 VAL 34 4.125 -1.606 -6.306
268 H ARG 35 HN ARG 35 8.110 -0.669 -7.940
269 HA ARG 35 HA ARG 35 10.274 -2.442 -8.566
270 HB2 ARG 35 HB2 ARG 35 9.809 0.476 -9.275
271 HB3 ARG 35 HB1 ARG 35 11.146 -0.478 -9.912
272 HG2 ARG 35 HG2 ARG 35 9.548 -2.013 -10.999
273 HG3 ARG 35 HG1 ARG 35 8.201 -1.080 -10.342
274 HD2 ARG 35 HD2 ARG 35 10.275 -0.079 -12.321
275 HD3 ARG 35 HD1 ARG 35 8.600 -0.497 -12.682
276 HE ARG 35 HE ARG 35 8.864 1.550 -10.667
277 HH11 ARG 35 HH11 ARG 35 8.703 1.003 -14.156
278 HH12 ARG 35 HH12 ARG 35 8.159 2.615 -14.490
279 HH21 ARG 35 HH21 ARG 35 7.859 4.109 -12.794
280 HH22 ARG 35 HH22 ARG 35 8.170 3.653 -11.150
281 H ALA 36 HN ALA 36 9.874 -0.020 -6.154
282 HA ALA 36 HA ALA 36 12.592 0.729 -5.748
283 HB1 ALA 36 HB1 ALA 36 10.715 2.114 -4.963
284 HB2 ALA 36 HB2 ALA 36 11.795 1.704 -3.630
285 HB3 ALA 36 HB3 ALA 36 10.256 0.858 -3.811
286 H GLY 37 HN GLY 37 10.715 -2.040 -4.765
287 HA2 GLY 37 HA2 GLY 37 11.496 -4.079 -3.976
288 HA3 GLY 37 HA1 GLY 37 13.078 -3.366 -3.703
289 H ARG 38 HN ARG 38 10.859 -1.355 -2.294
290 HA ARG 38 HA ARG 38 11.279 -2.296 0.407
291 HB2 ARG 38 HB2 ARG 38 9.677 0.013 -0.788
292 HB3 ARG 38 HB1 ARG 38 9.602 -0.372 0.923
293 HG2 ARG 38 HG2 ARG 38 11.124 1.459 0.632
294 HG3 ARG 38 HG1 ARG 38 12.057 0.042 1.100
295 HD2 ARG 38 HD2 ARG 38 12.818 -0.260 -1.196
296 HD3 ARG 38 HD1 ARG 38 11.789 1.063 -1.749
297 HE ARG 38 HE ARG 38 13.575 1.930 0.277
298 HH11 ARG 38 HH11 ARG 38 13.530 1.145 -3.179
299 HH12 ARG 38 HH12 ARG 38 14.874 2.180 -3.545
300 HH21 ARG 38 HH21 ARG 38 15.890 3.382 -1.877
301 HH22 ARG 38 HH22 ARG 38 15.335 3.283 -0.234
302 H CYS 39 HN CYS 39 10.084 -4.002 1.175
303 HA CYS 39 HA CYS 39 7.655 -4.887 -0.084
304 HB2 CYS 39 HB2 CYS 39 8.843 -5.769 2.585
305 HB3 CYS 39 HB1 CYS 39 7.608 -6.623 1.660
306 HG CYS 39 HG CYS 39 10.321 -6.068 -0.170
307 H ILE 40 HN ILE 40 5.783 -3.860 0.166
308 HA ILE 40 HA ILE 40 5.329 -2.137 2.516
309 HB ILE 40 HB ILE 40 3.736 -2.180 -0.103
310 HG12 ILE 40 HG12 ILE 40 6.055 -1.632 -0.663
311 HG13 ILE 40 HG11 ILE 40 5.052 -0.200 -0.820
312 HG21 ILE 40 HG21 ILE 40 3.907 -0.077 2.078
313 HG22 ILE 40 HG22 ILE 40 2.554 -1.173 1.787
314 HG23 ILE 40 HG23 ILE 40 2.974 0.042 0.584
315 HD11 ILE 40 HD11 ILE 40 6.983 -0.834 1.404
316 HD12 ILE 40 HD12 ILE 40 5.900 0.562 1.396
317 HD13 ILE 40 HD13 ILE 40 7.149 0.402 0.157
318 H ASP 41 HN ASP 41 3.668 -2.574 3.928
319 HA ASP 41 HA ASP 41 1.894 -4.857 3.386
320 HB2 ASP 41 HB2 ASP 41 2.272 -3.256 5.955
321 HB3 ASP 41 HB1 ASP 41 1.215 -4.653 5.771
322 H ILE 42 HN ILE 42 -0.287 -4.673 3.296
323 HA ILE 42 HA ILE 42 -1.441 -1.984 2.938
324 HB ILE 42 HB ILE 42 -2.400 -4.678 1.821
325 HG12 ILE 42 HG12 ILE 42 -0.334 -3.927 0.689
326 HG13 ILE 42 HG11 ILE 42 -1.701 -3.759 -0.404
327 HG21 ILE 42 HG21 ILE 42 -3.480 -1.871 1.348
328 HG22 ILE 42 HG22 ILE 42 -4.282 -3.163 2.243
329 HG23 ILE 42 HG23 ILE 42 -4.013 -3.329 0.509
330 HD11 ILE 42 HD11 ILE 42 -0.357 -1.518 1.128
331 HD12 ILE 42 HD12 ILE 42 -1.749 -1.331 0.063
332 HD13 ILE 42 HD13 ILE 42 -0.201 -1.851 -0.597
333 H GLU 43 HN GLU 43 -2.509 -1.348 4.656
334 HA GLU 43 HA GLU 43 -3.201 -3.133 6.794
335 HB2 GLU 43 HB2 GLU 43 -3.483 -0.135 6.434
336 HB3 GLU 43 HB1 GLU 43 -4.068 -0.968 7.867
337 HG2 GLU 43 HG2 GLU 43 -1.897 0.011 8.311
338 HG3 GLU 43 HG1 GLU 43 -1.796 -1.743 8.378
339 H LEU 44 HN LEU 44 -4.832 -4.447 6.447
340 HA LEU 44 HA LEU 44 -7.310 -3.704 5.109
341 HB2 LEU 44 HB2 LEU 44 -6.045 -6.243 6.125
342 HB3 LEU 44 HB1 LEU 44 -7.789 -6.222 6.034
343 HG LEU 44 HG LEU 44 -6.680 -7.277 4.063
344 HD11 LEU 44 HD11 LEU 44 -8.381 -4.848 3.440
345 HD12 LEU 44 HD12 LEU 44 -8.952 -6.467 3.839
346 HD13 LEU 44 HD13 LEU 44 -8.073 -6.194 2.337
347 HD21 LEU 44 HD21 LEU 44 -4.710 -5.794 3.896
348 HD22 LEU 44 HD22 LEU 44 -5.750 -4.482 3.333
349 HD23 LEU 44 HD23 LEU 44 -5.572 -5.952 2.366
350 H TYR 45 HN TYR 45 -8.533 -2.369 6.343
351 HA TYR 45 HA TYR 45 -8.904 -2.523 9.171
352 HB2 TYR 45 HB2 TYR 45 -10.396 -1.013 6.988
353 HB3 TYR 45 HB1 TYR 45 -10.724 -0.805 8.705
354 HD1 TYR 45 HD1 TYR 45 -9.119 0.405 10.154
355 HD2 TYR 45 HD2 TYR 45 -8.262 -0.164 6.004
356 HE1 TYR 45 HE1 TYR 45 -7.276 2.022 10.311
357 HE2 TYR 45 HE2 TYR 45 -6.423 1.462 6.165
358 HH TYR 45 HH TYR 45 -5.732 3.355 7.597
359 H THR 46 HN THR 46 -11.205 -2.628 10.091
360 HA THR 46 HA THR 46 -11.881 -5.362 10.026
361 HB THR 46 HB THR 46 -13.429 -3.067 11.313
362 HG1 THR 46 HG1 THR 46 -11.122 -3.362 11.860
363 HG21 THR 46 HG21 THR 46 -13.411 -6.041 12.002
364 HG22 THR 46 HG22 THR 46 -14.757 -5.165 11.275
365 HG23 THR 46 HG23 THR 46 -14.241 -4.776 12.914
366 H ASP 47 HN ASP 47 -13.534 -2.536 8.705
367 HA ASP 47 HA ASP 47 -15.889 -3.883 7.784
368 HB2 ASP 47 HB2 ASP 47 -16.430 -1.775 6.686
369 HB3 ASP 47 HB1 ASP 47 -15.787 -1.435 8.287
370 H GLY 48 HN GLY 48 -12.694 -3.549 6.558
371 HA2 GLY 48 HA2 GLY 48 -11.972 -5.139 4.855
372 HA3 GLY 48 HA1 GLY 48 -13.433 -4.762 3.953
373 H ARG 49 HN ARG 49 -12.510 -1.826 5.104
374 HA ARG 49 HA ARG 49 -11.544 -0.850 2.622
375 HB2 ARG 49 HB2 ARG 49 -12.763 0.535 4.308
376 HB3 ARG 49 HB1 ARG 49 -11.371 0.449 5.376
377 HG2 ARG 49 HG2 ARG 49 -10.008 1.671 3.719
378 HG3 ARG 49 HG1 ARG 49 -11.395 1.744 2.628
379 HD2 ARG 49 HD2 ARG 49 -11.061 3.862 3.859
380 HD3 ARG 49 HD1 ARG 49 -12.620 3.124 4.241
381 HE ARG 49 HE ARG 49 -11.686 2.364 6.342
382 HH11 ARG 49 HH11 ARG 49 -8.996 5.338 6.154
383 HH12 ARG 49 HH12 ARG 49 -9.800 4.836 4.703
384 HH21 ARG 49 HH21 ARG 49 -9.457 4.305 8.133
385 HH22 ARG 49 HH22 ARG 49 -10.611 3.017 8.203
386 H VAL 50 HN VAL 50 -9.417 -0.001 2.079
387 HA VAL 50 HA VAL 50 -7.187 -1.107 3.685
388 HB VAL 50 HB VAL 50 -5.952 -1.697 1.686
389 HG11 VAL 50 HG11 VAL 50 -8.761 -2.823 1.522
390 HG12 VAL 50 HG12 VAL 50 -7.462 -3.400 2.569
391 HG13 VAL 50 HG13 VAL 50 -7.313 -3.548 0.819
392 HG21 VAL 50 HG21 VAL 50 -6.874 -1.560 -0.603
393 HG22 VAL 50 HG22 VAL 50 -6.705 0.042 0.114
394 HG23 VAL 50 HG23 VAL 50 -8.296 -0.713 0.011
395 H GLU 51 HN GLU 51 -5.728 0.361 4.287
396 HA GLU 51 HA GLU 51 -5.061 2.565 2.426
397 HB2 GLU 51 HB2 GLU 51 -5.114 2.769 5.470
398 HB3 GLU 51 HB1 GLU 51 -4.353 3.952 4.410
399 HG2 GLU 51 HG2 GLU 51 -6.590 4.358 3.359
400 HG3 GLU 51 HG1 GLU 51 -7.304 3.299 4.572
401 H CYS 52 HN CYS 52 -2.886 2.873 2.115
402 HA CYS 52 HA CYS 52 -1.001 1.016 3.379
403 HB2 CYS 52 HB2 CYS 52 -0.880 1.039 0.964
404 HB3 CYS 52 HB1 CYS 52 -0.792 2.801 0.927
405 HG CYS 52 HG CYS 52 1.631 1.070 2.549
406 H ARG 53 HN ARG 53 -0.009 1.778 5.153
407 HA ARG 53 HA ARG 53 -0.077 4.461 6.084
408 HB2 ARG 53 HB2 ARG 53 0.146 2.213 7.405
409 HB3 ARG 53 HB1 ARG 53 1.864 2.308 7.066
410 HG2 ARG 53 HG2 ARG 53 0.277 4.391 8.611
411 HG3 ARG 53 HG1 ARG 53 1.203 3.087 9.346
412 HD2 ARG 53 HD2 ARG 53 2.262 5.463 7.789
413 HD3 ARG 53 HD1 ARG 53 2.528 5.070 9.492
414 HE ARG 53 HE ARG 53 3.580 2.923 8.294
415 HH11 ARG 53 HH11 ARG 53 5.731 6.107 7.074
416 HH12 ARG 53 HH12 ARG 53 4.115 6.344 7.656
417 HH21 ARG 53 HH21 ARG 53 6.617 3.987 6.954
418 HH22 ARG 53 HH22 ARG 53 5.677 2.615 7.444
419 H GLU 54 HN GLU 54 2.373 2.494 4.480
420 HA GLU 54 HA GLU 54 4.553 4.247 4.522
421 HB2 GLU 54 HB2 GLU 54 4.684 1.835 3.913
422 HB3 GLU 54 HB1 GLU 54 3.885 2.193 2.386
423 HG2 GLU 54 HG2 GLU 54 6.295 1.986 2.078
424 HG3 GLU 54 HG1 GLU 54 5.764 3.622 1.710
425 H LEU 55 HN LEU 55 1.798 4.005 2.356
426 HA LEU 55 HA LEU 55 2.713 5.853 0.388
427 HB2 LEU 55 HB2 LEU 55 0.884 4.039 0.104
428 HB3 LEU 55 HB1 LEU 55 -0.204 5.137 0.927
429 HG LEU 55 HG LEU 55 -0.518 5.229 -1.519
430 HD11 LEU 55 HD11 LEU 55 -0.347 7.628 -1.954
431 HD12 LEU 55 HD12 LEU 55 0.708 7.828 -0.556
432 HD13 LEU 55 HD13 LEU 55 -0.966 7.319 -0.333
433 HD21 LEU 55 HD21 LEU 55 1.234 6.036 -3.029
434 HD22 LEU 55 HD22 LEU 55 1.708 4.549 -2.217
435 HD23 LEU 55 HD23 LEU 55 2.379 6.093 -1.686
436 H ARG 56 HN ARG 56 3.403 7.576 1.671
437 HA ARG 56 HA ARG 56 1.236 9.478 2.323
438 HB2 ARG 56 HB2 ARG 56 4.252 9.935 2.276
439 HB3 ARG 56 HB1 ARG 56 3.031 11.045 2.880
440 HG2 ARG 56 HG2 ARG 56 2.471 9.060 4.537
441 HG3 ARG 56 HG1 ARG 56 4.101 8.532 4.127
442 HD2 ARG 56 HD2 ARG 56 3.211 11.012 5.574
443 HD3 ARG 56 HD1 ARG 56 4.445 9.842 6.040
444 HE ARG 56 HE ARG 56 4.757 11.885 3.907
445 HH11 ARG 56 HH11 ARG 56 6.223 9.931 6.460
446 HH12 ARG 56 HH12 ARG 56 7.789 10.651 6.253
447 HH21 ARG 56 HH21 ARG 56 6.786 12.830 3.689
448 HH22 ARG 56 HH22 ARG 56 8.109 12.295 4.684
449 HA PRO 57 HA PRO 57 1.126 11.046 -1.926
450 HB2 PRO 57 HB2 PRO 57 1.390 13.848 -0.875
451 HB3 PRO 57 HB1 PRO 57 0.111 13.128 -1.872
452 HG2 PRO 57 HG2 PRO 57 -0.332 13.663 0.695
453 HG3 PRO 57 HG1 PRO 57 -0.987 12.192 -0.058
454 HD2 PRO 57 HD2 PRO 57 1.395 12.479 1.754
455 HD3 PRO 57 HD1 PRO 57 0.143 11.215 1.723
456 H ASP 58 HN ASP 58 3.744 11.799 0.145
457 HA ASP 58 HA ASP 58 5.516 13.390 -1.310
458 HB2 ASP 58 HB2 ASP 58 6.164 11.145 0.658
459 HB3 ASP 58 HB1 ASP 58 7.276 12.416 0.161
460 H VAL 59 HN VAL 59 4.788 10.031 -1.517
461 HA VAL 59 HA VAL 59 6.903 8.790 -2.725
462 HB VAL 59 HB VAL 59 3.894 8.422 -3.092
463 HG11 VAL 59 HG11 VAL 59 6.117 6.506 -3.994
464 HG12 VAL 59 HG12 VAL 59 4.994 7.368 -5.045
465 HG13 VAL 59 HG13 VAL 59 4.394 6.115 -3.962
466 HG21 VAL 59 HG21 VAL 59 4.216 6.537 -1.500
467 HG22 VAL 59 HG22 VAL 59 4.767 8.060 -0.804
468 HG23 VAL 59 HG23 VAL 59 5.944 6.892 -1.408
469 H PHE 60 HN PHE 60 4.256 10.497 -4.457
470 HA PHE 60 HA PHE 60 5.929 10.518 -6.895
471 HB2 PHE 60 HB2 PHE 60 3.823 10.619 -8.224
472 HB3 PHE 60 HB1 PHE 60 4.014 9.129 -7.320
473 HD1 PHE 60 HD1 PHE 60 2.820 9.110 -4.944
474 HD2 PHE 60 HD2 PHE 60 1.715 11.645 -8.194
475 HE1 PHE 60 HE1 PHE 60 0.543 9.313 -4.016
476 HE2 PHE 60 HE2 PHE 60 -0.554 11.855 -7.263
477 HZ PHE 60 HZ PHE 60 -1.137 10.689 -5.171
478 H GLY 61 HN GLY 61 5.939 12.416 -4.670
479 HA2 GLY 61 HA2 GLY 61 6.489 14.638 -4.487
480 HA3 GLY 61 HA1 GLY 61 6.330 14.757 -6.231
481 H ALA 62 HN ALA 62 3.609 13.609 -4.482
482 HA ALA 62 HA ALA 62 1.932 15.796 -5.341
483 HB1 ALA 62 HB1 ALA 62 0.115 14.381 -4.321
484 HB2 ALA 62 HB2 ALA 62 1.361 13.244 -3.776
485 HB3 ALA 62 HB3 ALA 62 1.106 13.511 -5.499
Start of MODEL 10
1 H1 MET 1 HT1 MET 1 -6.296 -2.231 13.918
2 H2 MET 1 HT2 MET 1 -5.196 -3.333 14.572
3 H3 MET 1 HT3 MET 1 -6.490 -3.891 13.644
4 HA MET 1 HA MET 1 -5.640 -2.867 11.701
5 HB2 MET 1 HB2 MET 1 -3.400 -1.776 11.707
6 HB3 MET 1 HB1 MET 1 -4.564 -0.899 12.684
7 HG2 MET 1 HG2 MET 1 -3.543 -1.766 14.735
8 HG3 MET 1 HG1 MET 1 -2.415 -2.740 13.785
9 HE1 MET 1 HE1 MET 1 -1.250 -0.855 16.034
10 HE2 MET 1 HE2 MET 1 0.075 -0.095 15.149
11 HE3 MET 1 HE3 MET 1 -0.276 -1.809 14.920
12 H LYS 2 HN LYS 2 -5.303 -4.777 10.693
13 HA LYS 2 HA LYS 2 -3.016 -6.465 11.491
14 HB2 LYS 2 HB2 LYS 2 -3.910 -8.139 9.933
15 HB3 LYS 2 HB1 LYS 2 -5.128 -7.661 11.105
16 HG2 LYS 2 HG2 LYS 2 -6.282 -6.313 9.449
17 HG3 LYS 2 HG1 LYS 2 -5.014 -6.611 8.260
18 HD2 LYS 2 HD2 LYS 2 -6.820 -8.750 9.463
19 HD3 LYS 2 HD1 LYS 2 -7.047 -8.007 7.878
20 HE2 LYS 2 HE2 LYS 2 -4.981 -8.968 7.055
21 HE3 LYS 2 HE1 LYS 2 -4.543 -9.539 8.668
22 HZ1 LYS 2 HZ1 LYS 2 -5.417 -11.311 7.273
23 HZ2 LYS 2 HZ2 LYS 2 -6.872 -10.474 7.088
24 HZ3 LYS 2 HZ3 LYS 2 -6.419 -11.043 8.612
25 H LYS 3 HN LYS 3 -1.472 -7.072 9.851
26 HA LYS 3 HA LYS 3 -1.087 -5.035 7.717
27 HB2 LYS 3 HB2 LYS 3 0.989 -6.674 9.240
28 HB3 LYS 3 HB1 LYS 3 1.353 -5.583 7.906
29 HG2 LYS 3 HG2 LYS 3 0.560 -3.665 9.255
30 HG3 LYS 3 HG1 LYS 3 0.193 -4.763 10.591
31 HD2 LYS 3 HD2 LYS 3 2.571 -5.373 10.782
32 HD3 LYS 3 HD1 LYS 3 2.963 -4.356 9.392
33 HE2 LYS 3 HE2 LYS 3 2.265 -2.357 10.655
34 HE3 LYS 3 HE1 LYS 3 1.847 -3.372 12.038
35 HZ1 LYS 3 HZ1 LYS 3 4.012 -2.322 12.271
36 HZ2 LYS 3 HZ2 LYS 3 4.569 -3.111 10.882
37 HZ3 LYS 3 HZ3 LYS 3 4.144 -4.007 12.253
38 H ILE 4 HN ILE 4 -0.846 -5.727 5.689
39 HA ILE 4 HA ILE 4 -0.507 -8.611 5.107
40 HB ILE 4 HB ILE 4 -1.917 -6.481 3.472
41 HG12 ILE 4 HG12 ILE 4 -2.967 -8.864 5.033
42 HG13 ILE 4 HG11 ILE 4 -3.443 -7.175 5.183
43 HG21 ILE 4 HG21 ILE 4 -0.699 -8.024 1.973
44 HG22 ILE 4 HG22 ILE 4 -2.447 -8.110 1.763
45 HG23 ILE 4 HG23 ILE 4 -1.597 -9.376 2.668
46 HD11 ILE 4 HD11 ILE 4 -4.401 -7.349 2.867
47 HD12 ILE 4 HD12 ILE 4 -5.204 -8.314 4.115
48 HD13 ILE 4 HD13 ILE 4 -4.106 -9.089 2.972
49 HA PRO 5 HA PRO 5 3.373 -7.286 3.100
50 HB2 PRO 5 HB2 PRO 5 3.132 -9.865 1.581
51 HB3 PRO 5 HB1 PRO 5 4.413 -9.339 2.695
52 HG2 PRO 5 HG2 PRO 5 2.680 -11.276 3.383
53 HG3 PRO 5 HG1 PRO 5 3.299 -10.113 4.582
54 HD2 PRO 5 HD2 PRO 5 0.633 -10.098 3.149
55 HD3 PRO 5 HD1 PRO 5 0.981 -9.801 4.863
56 H LEU 6 HN LEU 6 3.746 -6.243 1.123
57 HA LEU 6 HA LEU 6 1.638 -5.221 -0.298
58 HB2 LEU 6 HB2 LEU 6 3.883 -4.218 -0.239
59 HB3 LEU 6 HB1 LEU 6 4.512 -5.525 -1.224
60 HG LEU 6 HG LEU 6 3.066 -4.773 -3.118
61 HD11 LEU 6 HD11 LEU 6 1.971 -2.575 -3.055
62 HD12 LEU 6 HD12 LEU 6 2.352 -2.421 -1.338
63 HD13 LEU 6 HD13 LEU 6 1.258 -3.691 -1.892
64 HD21 LEU 6 HD21 LEU 6 5.396 -4.038 -3.007
65 HD22 LEU 6 HD22 LEU 6 4.931 -2.634 -2.049
66 HD23 LEU 6 HD23 LEU 6 4.380 -2.786 -3.716
67 H SER 7 HN SER 7 3.755 -7.928 -1.272
68 HA SER 7 HA SER 7 2.696 -8.487 -3.797
69 HB2 SER 7 HB2 SER 7 3.880 -10.489 -1.829
70 HB3 SER 7 HB1 SER 7 3.740 -10.702 -3.577
71 HG SER 7 HG SER 7 5.366 -9.383 -3.889
72 H LYS 8 HN LYS 8 1.792 -9.905 -0.628
73 HA LYS 8 HA LYS 8 -0.216 -11.677 -1.576
74 HB2 LYS 8 HB2 LYS 8 0.270 -10.509 1.193
75 HB3 LYS 8 HB1 LYS 8 -0.946 -11.740 0.870
76 HG2 LYS 8 HG2 LYS 8 2.024 -12.092 0.357
77 HG3 LYS 8 HG1 LYS 8 1.180 -12.649 1.805
78 HD2 LYS 8 HD2 LYS 8 -0.278 -14.088 0.367
79 HD3 LYS 8 HD1 LYS 8 0.641 -13.569 -1.049
80 HE2 LYS 8 HE2 LYS 8 2.664 -14.615 -0.160
81 HE3 LYS 8 HE1 LYS 8 1.821 -15.043 1.331
82 HZ1 LYS 8 HZ1 LYS 8 0.381 -16.503 0.075
83 HZ2 LYS 8 HZ2 LYS 8 1.996 -16.908 -0.205
84 HZ3 LYS 8 HZ3 LYS 8 1.130 -16.059 -1.378
85 H TYR 9 HN TYR 9 -0.297 -8.294 -0.712
86 HA TYR 9 HA TYR 9 -3.144 -8.026 -0.598
87 HB2 TYR 9 HB2 TYR 9 -1.688 -6.374 0.491
88 HB3 TYR 9 HB1 TYR 9 -0.981 -5.929 -1.044
89 HD1 TYR 9 HD1 TYR 9 -4.025 -5.760 1.030
90 HD2 TYR 9 HD2 TYR 9 -2.175 -4.405 -2.582
91 HE1 TYR 9 HE1 TYR 9 -5.789 -4.125 0.734
92 HE2 TYR 9 HE2 TYR 9 -3.960 -2.750 -2.873
93 HH TYR 9 HH TYR 9 -6.176 -2.002 -0.419
94 H LEU 10 HN LEU 10 -0.676 -7.412 -3.093
95 HA LEU 10 HA LEU 10 -2.416 -6.454 -5.122
96 HB2 LEU 10 HB2 LEU 10 0.328 -7.728 -5.439
97 HB3 LEU 10 HB1 LEU 10 -0.496 -6.753 -6.646
98 HG LEU 10 HG LEU 10 0.518 -5.745 -3.960
99 HD11 LEU 10 HD11 LEU 10 1.666 -5.259 -6.719
100 HD12 LEU 10 HD12 LEU 10 2.368 -6.273 -5.455
101 HD13 LEU 10 HD13 LEU 10 2.235 -4.532 -5.212
102 HD21 LEU 10 HD21 LEU 10 -0.767 -4.171 -6.208
103 HD22 LEU 10 HD22 LEU 10 -0.012 -3.479 -4.772
104 HD23 LEU 10 HD23 LEU 10 -1.454 -4.480 -4.610
105 H GLU 11 HN GLU 11 -1.562 -9.640 -4.053
106 HA GLU 11 HA GLU 11 -2.544 -11.035 -6.400
107 HB2 GLU 11 HB2 GLU 11 -1.581 -12.030 -3.686
108 HB3 GLU 11 HB1 GLU 11 -2.133 -13.096 -4.969
109 HG2 GLU 11 HG2 GLU 11 0.235 -11.218 -5.159
110 HG3 GLU 11 HG1 GLU 11 0.324 -12.958 -4.887
111 H GLU 12 HN GLU 12 -3.635 -10.573 -3.011
112 HA GLU 12 HA GLU 12 -5.978 -12.293 -3.595
113 HB2 GLU 12 HB2 GLU 12 -4.340 -12.059 -1.041
114 HB3 GLU 12 HB1 GLU 12 -5.834 -12.981 -1.171
115 HG2 GLU 12 HG2 GLU 12 -4.793 -14.479 -2.813
116 HG3 GLU 12 HG1 GLU 12 -3.311 -13.531 -2.757
117 H HIS 13 HN HIS 13 -5.479 -9.063 -3.127
118 HA HIS 13 HA HIS 13 -7.961 -8.752 -1.559
119 HB2 HIS 13 HB2 HIS 13 -5.246 -7.899 -0.682
120 HB3 HIS 13 HB1 HIS 13 -6.479 -6.656 -0.510
121 HD1 HIS 13 HD1 HIS 13 -7.832 -6.778 1.565
122 HD2 HIS 13 HD2 HIS 13 -6.046 -10.425 0.671
123 HE1 HIS 13 HE1 HIS 13 -8.417 -8.301 3.462
124 HE2 HIS 13 HE2 HIS 13 -7.454 -10.528 2.836
125 H GLY 14 HN GLY 14 -5.545 -7.002 -3.493
126 HA2 GLY 14 HA2 GLY 14 -7.595 -5.666 -5.020
127 HA3 GLY 14 HA1 GLY 14 -6.714 -4.599 -3.925
128 H THR 15 HN THR 15 -6.551 -4.012 -6.525
129 HA THR 15 HA THR 15 -4.040 -5.086 -7.617
130 HB THR 15 HB THR 15 -4.583 -3.545 -9.572
131 HG1 THR 15 HG1 THR 15 -7.206 -3.262 -8.626
132 HG21 THR 15 HG21 THR 15 -6.773 -5.525 -8.841
133 HG22 THR 15 HG22 THR 15 -5.247 -5.927 -9.631
134 HG23 THR 15 HG23 THR 15 -6.429 -4.916 -10.462
135 H GLN 16 HN GLN 16 -2.637 -3.260 -8.658
136 HA GLN 16 HA GLN 16 -1.581 -1.608 -6.576
137 HB2 GLN 16 HB2 GLN 16 -0.902 -1.380 -9.535
138 HB3 GLN 16 HB1 GLN 16 0.113 -0.965 -8.157
139 HG2 GLN 16 HG2 GLN 16 0.024 -3.478 -7.574
140 HG3 GLN 16 HG1 GLN 16 -0.610 -3.708 -9.196
141 HE21 GLN 16 HE21 GLN 16 2.157 -2.895 -7.302
142 HE22 GLN 16 HE22 GLN 16 3.308 -2.984 -8.575
143 H SER 17 HN SER 17 -3.547 -1.105 -9.437
144 HA SER 17 HA SER 17 -3.923 1.671 -9.427
145 HB2 SER 17 HB2 SER 17 -5.856 -0.547 -10.234
146 HB3 SER 17 HB1 SER 17 -6.009 1.154 -10.699
147 HG SER 17 HG SER 17 -4.516 0.892 -12.163
148 H ALA 18 HN ALA 18 -5.666 -0.943 -7.783
149 HA ALA 18 HA ALA 18 -7.723 0.557 -6.563
150 HB1 ALA 18 HB1 ALA 18 -8.083 -1.400 -5.144
151 HB2 ALA 18 HB2 ALA 18 -6.513 -2.060 -5.611
152 HB3 ALA 18 HB3 ALA 18 -7.801 -1.903 -6.813
153 H LEU 19 HN LEU 19 -4.485 -0.346 -5.537
154 HA LEU 19 HA LEU 19 -4.743 0.427 -2.823
155 HB2 LEU 19 HB2 LEU 19 -2.997 -1.148 -3.616
156 HB3 LEU 19 HB1 LEU 19 -2.213 0.153 -4.500
157 HG LEU 19 HG LEU 19 -1.665 1.298 -2.372
158 HD11 LEU 19 HD11 LEU 19 -3.554 0.614 -0.981
159 HD12 LEU 19 HD12 LEU 19 -2.034 0.231 -0.180
160 HD13 LEU 19 HD13 LEU 19 -2.967 -1.054 -0.951
161 HD21 LEU 19 HD21 LEU 19 -0.025 -0.274 -3.292
162 HD22 LEU 19 HD22 LEU 19 -0.756 -1.605 -2.392
163 HD23 LEU 19 HD23 LEU 19 0.032 -0.281 -1.531
164 H ALA 20 HN ALA 20 -3.304 2.023 -5.669
165 HA ALA 20 HA ALA 20 -2.623 4.532 -4.597
166 HB1 ALA 20 HB1 ALA 20 -1.903 3.739 -6.823
167 HB2 ALA 20 HB2 ALA 20 -2.662 5.326 -6.931
168 HB3 ALA 20 HB3 ALA 20 -3.555 3.883 -7.426
169 H ALA 21 HN ALA 21 -5.708 3.380 -5.968
170 HA ALA 21 HA ALA 21 -7.140 5.826 -5.944
171 HB1 ALA 21 HB1 ALA 21 -9.147 4.422 -6.205
172 HB2 ALA 21 HB2 ALA 21 -8.214 2.988 -5.763
173 HB3 ALA 21 HB3 ALA 21 -7.843 3.857 -7.250
174 H ALA 22 HN ALA 22 -6.647 3.320 -3.522
175 HA ALA 22 HA ALA 22 -8.556 4.245 -1.587
176 HB1 ALA 22 HB1 ALA 22 -7.782 1.902 -1.690
177 HB2 ALA 22 HB2 ALA 22 -7.512 2.609 -0.096
178 HB3 ALA 22 HB3 ALA 22 -6.160 2.418 -1.219
179 H LEU 23 HN LEU 23 -5.165 4.825 -2.240
180 HA LEU 23 HA LEU 23 -4.671 6.344 0.192
181 HB2 LEU 23 HB2 LEU 23 -2.942 6.000 -2.289
182 HB3 LEU 23 HB1 LEU 23 -2.417 6.659 -0.746
183 HG LEU 23 HG LEU 23 -3.284 3.788 -1.234
184 HD11 LEU 23 HD11 LEU 23 -0.503 4.885 -0.766
185 HD12 LEU 23 HD12 LEU 23 -1.143 4.277 -2.294
186 HD13 LEU 23 HD13 LEU 23 -0.938 3.181 -0.930
187 HD21 LEU 23 HD21 LEU 23 -3.882 4.436 1.013
188 HD22 LEU 23 HD22 LEU 23 -2.265 5.082 1.305
189 HD23 LEU 23 HD23 LEU 23 -2.494 3.347 1.074
190 H GLY 24 HN GLY 24 -5.908 6.941 -2.948
191 HA2 GLY 24 HA2 GLY 24 -6.717 8.838 -3.967
192 HA3 GLY 24 HA1 GLY 24 -6.234 9.774 -2.557
193 H VAL 25 HN VAL 25 -3.946 7.742 -4.202
194 HA VAL 25 HA VAL 25 -2.394 10.099 -5.098
195 HB VAL 25 HB VAL 25 -0.378 8.934 -4.499
196 HG11 VAL 25 HG11 VAL 25 -2.356 8.524 -2.247
197 HG12 VAL 25 HG12 VAL 25 -1.515 10.033 -2.619
198 HG13 VAL 25 HG13 VAL 25 -0.604 8.625 -2.077
199 HG21 VAL 25 HG21 VAL 25 -0.306 6.623 -3.559
200 HG22 VAL 25 HG22 VAL 25 -0.912 6.638 -5.215
201 HG23 VAL 25 HG23 VAL 25 -2.038 6.454 -3.869
202 H ASN 26 HN ASN 26 -0.619 9.331 -6.715
203 HA ASN 26 HA ASN 26 -1.868 8.061 -9.011
204 HB2 ASN 26 HB2 ASN 26 0.914 9.233 -8.567
205 HB3 ASN 26 HB1 ASN 26 0.402 8.512 -10.092
206 HD21 ASN 26 HD21 ASN 26 -1.087 9.614 -11.384
207 HD22 ASN 26 HD22 ASN 26 -1.512 11.265 -11.101
208 H GLN 27 HN GLN 27 -1.110 6.227 -10.058
209 HA GLN 27 HA GLN 27 -0.243 3.998 -8.487
210 HB2 GLN 27 HB2 GLN 27 -0.446 4.269 -11.527
211 HB3 GLN 27 HB1 GLN 27 -0.290 2.755 -10.637
212 HG2 GLN 27 HG2 GLN 27 -2.473 3.055 -9.621
213 HG3 GLN 27 HG1 GLN 27 -2.629 4.659 -10.340
214 HE21 GLN 27 HE21 GLN 27 -4.540 4.090 -11.433
215 HE22 GLN 27 HE22 GLN 27 -4.537 3.035 -12.800
216 H SER 28 HN SER 28 1.429 6.448 -10.245
217 HA SER 28 HA SER 28 3.858 5.267 -10.915
218 HB2 SER 28 HB2 SER 28 3.453 8.114 -9.908
219 HB3 SER 28 HB1 SER 28 4.782 7.533 -10.915
220 HG SER 28 HG SER 28 2.717 8.586 -11.850
221 H ALA 29 HN ALA 29 2.681 6.451 -7.802
222 HA ALA 29 HA ALA 29 5.014 6.083 -6.192
223 HB1 ALA 29 HB1 ALA 29 2.075 5.832 -5.441
224 HB2 ALA 29 HB2 ALA 29 3.060 7.292 -5.350
225 HB3 ALA 29 HB3 ALA 29 3.434 5.923 -4.310
226 H ILE 30 HN ILE 30 2.190 3.919 -6.752
227 HA ILE 30 HA ILE 30 3.092 1.877 -5.036
228 HB ILE 30 HB ILE 30 1.220 1.411 -7.418
229 HG12 ILE 30 HG12 ILE 30 0.394 3.396 -6.239
230 HG13 ILE 30 HG11 ILE 30 -0.664 2.040 -5.881
231 HG21 ILE 30 HG21 ILE 30 1.413 0.027 -4.705
232 HG22 ILE 30 HG22 ILE 30 1.905 -0.651 -6.260
233 HG23 ILE 30 HG23 ILE 30 0.204 -0.314 -5.942
234 HD11 ILE 30 HD11 ILE 30 -0.327 3.377 -3.912
235 HD12 ILE 30 HD12 ILE 30 1.424 3.229 -4.051
236 HD13 ILE 30 HD13 ILE 30 0.444 1.809 -3.677
237 H SER 31 HN SER 31 3.501 2.308 -8.527
238 HA SER 31 HA SER 31 4.853 -0.109 -9.125
239 HB2 SER 31 HB2 SER 31 5.048 2.588 -10.548
240 HB3 SER 31 HB1 SER 31 5.498 1.020 -11.221
241 HG SER 31 HG SER 31 3.164 2.144 -11.349
242 H GLN 32 HN GLN 32 6.046 3.148 -8.223
243 HA GLN 32 HA GLN 32 8.833 2.683 -8.401
244 HB2 GLN 32 HB2 GLN 32 7.866 4.941 -8.262
245 HB3 GLN 32 HB1 GLN 32 7.251 4.620 -6.645
246 HG2 GLN 32 HG2 GLN 32 9.656 4.381 -5.882
247 HG3 GLN 32 HG1 GLN 32 10.152 4.947 -7.477
248 HE21 GLN 32 HE21 GLN 32 8.564 5.828 -4.492
249 HE22 GLN 32 HE22 GLN 32 8.642 7.540 -4.720
250 H MET 33 HN MET 33 6.538 2.205 -5.796
251 HA MET 33 HA MET 33 8.316 1.586 -3.651
252 HB2 MET 33 HB2 MET 33 5.398 0.798 -4.031
253 HB3 MET 33 HB1 MET 33 6.272 0.850 -2.501
254 HG2 MET 33 HG2 MET 33 6.420 3.311 -2.641
255 HG3 MET 33 HG1 MET 33 5.745 3.277 -4.243
256 HE1 MET 33 HE1 MET 33 5.064 2.146 -0.594
257 HE2 MET 33 HE2 MET 33 4.341 0.838 -1.541
258 HE3 MET 33 HE3 MET 33 3.314 1.920 -0.606
259 H VAL 34 HN VAL 34 6.593 -0.305 -6.059
260 HA VAL 34 HA VAL 34 7.385 -2.920 -5.238
261 HB VAL 34 HB VAL 34 6.122 -1.731 -7.738
262 HG11 VAL 34 HG11 VAL 34 6.837 -4.673 -7.469
263 HG12 VAL 34 HG12 VAL 34 7.547 -3.530 -8.611
264 HG13 VAL 34 HG13 VAL 34 5.842 -3.953 -8.741
265 HG21 VAL 34 HG21 VAL 34 5.105 -3.757 -5.705
266 HG22 VAL 34 HG22 VAL 34 4.183 -3.104 -7.059
267 HG23 VAL 34 HG23 VAL 34 4.699 -2.039 -5.754
268 H ARG 35 HN ARG 35 8.675 -0.602 -7.637
269 HA ARG 35 HA ARG 35 10.636 -2.383 -8.753
270 HB2 ARG 35 HB2 ARG 35 10.334 0.641 -8.936
271 HB3 ARG 35 HB1 ARG 35 11.575 -0.263 -9.797
272 HG2 ARG 35 HG2 ARG 35 9.807 -1.489 -11.043
273 HG3 ARG 35 HG1 ARG 35 8.579 -0.553 -10.186
274 HD2 ARG 35 HD2 ARG 35 10.698 0.562 -12.058
275 HD3 ARG 35 HD1 ARG 35 8.979 0.394 -12.410
276 HE ARG 35 HE ARG 35 8.516 2.111 -10.767
277 HH11 ARG 35 HH11 ARG 35 11.903 1.867 -11.698
278 HH12 ARG 35 HH12 ARG 35 12.270 3.483 -11.201
279 HH21 ARG 35 HH21 ARG 35 9.032 4.223 -10.121
280 HH22 ARG 35 HH22 ARG 35 10.650 4.816 -10.312
281 H ALA 36 HN ALA 36 10.557 -0.198 -6.052
282 HA ALA 36 HA ALA 36 13.350 0.135 -5.613
283 HB1 ALA 36 HB1 ALA 36 11.674 1.633 -4.602
284 HB2 ALA 36 HB2 ALA 36 12.691 0.907 -3.358
285 HB3 ALA 36 HB3 ALA 36 11.052 0.302 -3.622
286 H GLY 37 HN GLY 37 11.327 -2.591 -5.275
287 HA2 GLY 37 HA2 GLY 37 11.675 -4.731 -4.497
288 HA3 GLY 37 HA1 GLY 37 13.341 -4.283 -4.138
289 H ARG 38 HN ARG 38 10.783 -2.355 -2.867
290 HA ARG 38 HA ARG 38 11.427 -3.154 -0.106
291 HB2 ARG 38 HB2 ARG 38 11.841 -0.790 -0.730
292 HB3 ARG 38 HB1 ARG 38 10.186 -0.609 -1.279
293 HG2 ARG 38 HG2 ARG 38 10.619 0.494 0.891
294 HG3 ARG 38 HG1 ARG 38 9.357 -0.728 0.994
295 HD2 ARG 38 HD2 ARG 38 12.193 -1.447 1.745
296 HD3 ARG 38 HD1 ARG 38 11.183 -0.548 2.879
297 HE ARG 38 HE ARG 38 9.553 -2.536 2.347
298 HH11 ARG 38 HH11 ARG 38 12.889 -4.319 3.696
299 HH12 ARG 38 HH12 ARG 38 13.007 -2.736 3.001
300 HH21 ARG 38 HH21 ARG 38 10.871 -5.364 3.841
301 HH22 ARG 38 HH22 ARG 38 9.432 -4.587 3.263
302 H CYS 39 HN CYS 39 10.017 -4.564 0.730
303 HA CYS 39 HA CYS 39 7.346 -4.982 -0.295
304 HB2 CYS 39 HB2 CYS 39 8.693 -6.879 0.526
305 HB3 CYS 39 HB1 CYS 39 8.735 -6.174 2.142
306 HG CYS 39 HG CYS 39 6.440 -8.043 0.691
307 H ILE 40 HN ILE 40 5.484 -4.181 0.557
308 HA ILE 40 HA ILE 40 5.780 -2.142 2.685
309 HB ILE 40 HB ILE 40 3.688 -2.171 0.447
310 HG12 ILE 40 HG12 ILE 40 5.901 -2.008 -0.585
311 HG13 ILE 40 HG11 ILE 40 5.077 -0.462 -0.692
312 HG21 ILE 40 HG21 ILE 40 2.999 -0.869 2.387
313 HG22 ILE 40 HG22 ILE 40 3.396 0.210 1.051
314 HG23 ILE 40 HG23 ILE 40 4.533 0.006 2.383
315 HD11 ILE 40 HD11 ILE 40 6.432 0.344 1.197
316 HD12 ILE 40 HD12 ILE 40 7.401 -0.143 -0.189
317 HD13 ILE 40 HD13 ILE 40 7.282 -1.200 1.217
318 H ASP 41 HN ASP 41 4.616 -2.367 4.492
319 HA ASP 41 HA ASP 41 2.680 -4.519 4.804
320 HB2 ASP 41 HB2 ASP 41 3.705 -2.425 6.778
321 HB3 ASP 41 HB1 ASP 41 2.589 -3.723 7.195
322 H ILE 42 HN ILE 42 0.821 -4.080 3.794
323 HA ILE 42 HA ILE 42 -0.469 -1.477 3.809
324 HB ILE 42 HB ILE 42 -1.581 -4.111 2.715
325 HG12 ILE 42 HG12 ILE 42 0.623 -3.693 1.657
326 HG13 ILE 42 HG11 ILE 42 -0.671 -3.456 0.491
327 HG21 ILE 42 HG21 ILE 42 -2.252 -1.214 2.047
328 HG22 ILE 42 HG22 ILE 42 -3.271 -2.345 2.940
329 HG23 ILE 42 HG23 ILE 42 -2.924 -2.631 1.235
330 HD11 ILE 42 HD11 ILE 42 1.057 -1.771 0.233
331 HD12 ILE 42 HD12 ILE 42 0.863 -1.274 1.912
332 HD13 ILE 42 HD13 ILE 42 -0.449 -1.017 0.761
333 H GLU 43 HN GLU 43 -1.409 -0.910 5.639
334 HA GLU 43 HA GLU 43 -2.330 -2.643 7.695
335 HB2 GLU 43 HB2 GLU 43 -2.944 0.326 7.360
336 HB3 GLU 43 HB1 GLU 43 -3.048 -0.617 8.846
337 HG2 GLU 43 HG2 GLU 43 -0.582 -0.957 8.778
338 HG3 GLU 43 HG1 GLU 43 -0.512 0.045 7.325
339 H LEU 44 HN LEU 44 -4.005 -3.943 7.148
340 HA LEU 44 HA LEU 44 -6.415 -2.939 5.849
341 HB2 LEU 44 HB2 LEU 44 -5.291 -5.630 6.510
342 HB3 LEU 44 HB1 LEU 44 -7.038 -5.525 6.556
343 HG LEU 44 HG LEU 44 -6.109 -6.334 4.366
344 HD11 LEU 44 HD11 LEU 44 -7.725 -3.771 4.204
345 HD12 LEU 44 HD12 LEU 44 -8.365 -5.388 4.495
346 HD13 LEU 44 HD13 LEU 44 -7.611 -5.009 2.947
347 HD21 LEU 44 HD21 LEU 44 -4.087 -4.901 4.251
348 HD22 LEU 44 HD22 LEU 44 -5.105 -3.479 4.013
349 HD23 LEU 44 HD23 LEU 44 -5.069 -4.754 2.794
350 H TYR 45 HN TYR 45 -7.931 -1.989 6.969
351 HA TYR 45 HA TYR 45 -8.566 -2.596 9.754
352 HB2 TYR 45 HB2 TYR 45 -9.958 -0.743 7.756
353 HB3 TYR 45 HB1 TYR 45 -10.292 -0.836 9.483
354 HD1 TYR 45 HD1 TYR 45 -8.944 0.418 11.064
355 HD2 TYR 45 HD2 TYR 45 -7.722 0.197 6.971
356 HE1 TYR 45 HE1 TYR 45 -7.270 2.177 11.455
357 HE2 TYR 45 HE2 TYR 45 -6.059 1.957 7.365
358 HH TYR 45 HH TYR 45 -5.616 3.764 8.895
359 H THR 46 HN THR 46 -10.538 -3.628 10.340
360 HA THR 46 HA THR 46 -11.274 -5.821 8.709
361 HB THR 46 HB THR 46 -12.645 -4.793 11.237
362 HG1 THR 46 HG1 THR 46 -10.641 -6.808 10.941
363 HG21 THR 46 HG21 THR 46 -13.445 -7.108 11.547
364 HG22 THR 46 HG22 THR 46 -12.713 -7.582 10.010
365 HG23 THR 46 HG23 THR 46 -14.064 -6.444 10.039
366 H ASP 47 HN ASP 47 -12.675 -2.618 9.021
367 HA ASP 47 HA ASP 47 -15.286 -3.256 7.990
368 HB2 ASP 47 HB2 ASP 47 -15.676 -0.851 7.890
369 HB3 ASP 47 HB1 ASP 47 -14.870 -1.239 9.403
370 H GLY 48 HN GLY 48 -12.197 -2.841 6.585
371 HA2 GLY 48 HA2 GLY 48 -11.950 -3.768 4.347
372 HA3 GLY 48 HA1 GLY 48 -13.356 -2.836 3.855
373 H ARG 49 HN ARG 49 -11.815 -0.667 5.780
374 HA ARG 49 HA ARG 49 -10.563 0.789 3.668
375 HB2 ARG 49 HB2 ARG 49 -10.463 1.053 6.693
376 HB3 ARG 49 HB1 ARG 49 -9.449 2.071 5.677
377 HG2 ARG 49 HG2 ARG 49 -11.411 3.068 4.626
378 HG3 ARG 49 HG1 ARG 49 -12.478 1.960 5.499
379 HD2 ARG 49 HD2 ARG 49 -10.674 4.043 6.789
380 HD3 ARG 49 HD1 ARG 49 -12.420 4.202 6.545
381 HE ARG 49 HE ARG 49 -12.231 1.890 7.919
382 HH11 ARG 49 HH11 ARG 49 -10.918 5.082 8.619
383 HH12 ARG 49 HH12 ARG 49 -10.963 4.844 10.336
384 HH21 ARG 49 HH21 ARG 49 -12.307 1.596 10.124
385 HH22 ARG 49 HH22 ARG 49 -11.756 2.848 11.194
386 H VAL 50 HN VAL 50 -8.401 0.978 3.057
387 HA VAL 50 HA VAL 50 -6.381 -0.700 4.449
388 HB VAL 50 HB VAL 50 -5.271 -1.254 2.405
389 HG11 VAL 50 HG11 VAL 50 -8.243 -1.555 1.839
390 HG12 VAL 50 HG12 VAL 50 -7.240 -2.657 2.778
391 HG13 VAL 50 HG13 VAL 50 -6.947 -2.463 1.053
392 HG21 VAL 50 HG21 VAL 50 -5.882 -0.401 0.162
393 HG22 VAL 50 HG22 VAL 50 -5.395 0.905 1.241
394 HG23 VAL 50 HG23 VAL 50 -7.105 0.647 0.894
395 H GLU 51 HN GLU 51 -4.325 0.240 4.669
396 HA GLU 51 HA GLU 51 -3.933 3.033 3.806
397 HB2 GLU 51 HB2 GLU 51 -4.781 2.610 6.369
398 HB3 GLU 51 HB1 GLU 51 -3.068 2.332 6.630
399 HG2 GLU 51 HG2 GLU 51 -4.386 4.866 5.611
400 HG3 GLU 51 HG1 GLU 51 -3.615 4.630 7.170
401 H CYS 52 HN CYS 52 -2.007 3.109 2.804
402 HA CYS 52 HA CYS 52 0.100 1.126 3.367
403 HB2 CYS 52 HB2 CYS 52 -0.351 1.388 1.004
404 HB3 CYS 52 HB1 CYS 52 -0.256 3.146 1.111
405 HG CYS 52 HG CYS 52 2.061 2.937 0.027
406 H ARG 53 HN ARG 53 1.118 1.785 5.198
407 HA ARG 53 HA ARG 53 1.408 4.452 6.065
408 HB2 ARG 53 HB2 ARG 53 1.453 2.503 7.592
409 HB3 ARG 53 HB1 ARG 53 2.994 1.985 6.914
410 HG2 ARG 53 HG2 ARG 53 4.102 3.967 7.787
411 HG3 ARG 53 HG1 ARG 53 2.565 4.639 8.334
412 HD2 ARG 53 HD2 ARG 53 3.822 2.082 9.387
413 HD3 ARG 53 HD1 ARG 53 3.901 3.658 10.180
414 HE ARG 53 HE ARG 53 1.237 2.575 9.615
415 HH11 ARG 53 HH11 ARG 53 2.626 2.941 13.373
416 HH12 ARG 53 HH12 ARG 53 3.720 3.175 12.049
417 HH21 ARG 53 HH21 ARG 53 0.440 2.424 12.985
418 HH22 ARG 53 HH22 ARG 53 -0.149 2.255 11.360
419 H GLU 54 HN GLU 54 3.385 2.461 3.948
420 HA GLU 54 HA GLU 54 5.813 3.951 4.231
421 HB2 GLU 54 HB2 GLU 54 5.629 1.541 3.416
422 HB3 GLU 54 HB1 GLU 54 5.116 2.185 1.862
423 HG2 GLU 54 HG2 GLU 54 7.440 1.755 1.648
424 HG3 GLU 54 HG1 GLU 54 7.300 3.500 1.812
425 H LEU 55 HN LEU 55 2.952 4.403 2.307
426 HA LEU 55 HA LEU 55 4.042 6.105 0.307
427 HB2 LEU 55 HB2 LEU 55 1.805 4.901 0.147
428 HB3 LEU 55 HB1 LEU 55 1.157 6.044 1.302
429 HG LEU 55 HG LEU 55 0.553 6.519 -1.124
430 HD11 LEU 55 HD11 LEU 55 0.853 8.941 -1.084
431 HD12 LEU 55 HD12 LEU 55 2.069 8.803 0.186
432 HD13 LEU 55 HD13 LEU 55 0.396 8.349 0.513
433 HD21 LEU 55 HD21 LEU 55 3.489 7.234 -1.438
434 HD22 LEU 55 HD22 LEU 55 2.223 7.499 -2.640
435 HD23 LEU 55 HD23 LEU 55 2.669 5.856 -2.177
436 H ARG 56 HN ARG 56 5.365 7.461 1.377
437 HA ARG 56 HA ARG 56 4.500 9.465 3.244
438 HB2 ARG 56 HB2 ARG 56 6.861 9.521 1.311
439 HB3 ARG 56 HB1 ARG 56 6.657 10.560 2.715
440 HG2 ARG 56 HG2 ARG 56 7.031 7.546 2.797
441 HG3 ARG 56 HG1 ARG 56 8.289 8.740 3.111
442 HD2 ARG 56 HD2 ARG 56 5.760 8.369 4.762
443 HD3 ARG 56 HD1 ARG 56 7.371 7.791 5.200
444 HE ARG 56 HE ARG 56 7.703 10.474 4.795
445 HH11 ARG 56 HH11 ARG 56 5.650 8.605 6.973
446 HH12 ARG 56 HH12 ARG 56 5.629 9.849 8.181
447 HH21 ARG 56 HH21 ARG 56 6.759 11.808 7.845
448 HH22 ARG 56 HH22 ARG 56 7.649 12.066 6.374
449 HA PRO 57 HA PRO 57 2.172 11.801 0.073
450 HB2 PRO 57 HB2 PRO 57 2.113 14.025 2.086
451 HB3 PRO 57 HB1 PRO 57 0.765 13.118 1.367
452 HG2 PRO 57 HG2 PRO 57 1.429 12.736 3.920
453 HG3 PRO 57 HG1 PRO 57 0.928 11.366 2.896
454 HD2 PRO 57 HD2 PRO 57 3.742 12.220 3.638
455 HD3 PRO 57 HD1 PRO 57 3.008 10.596 3.706
456 H ASP 58 HN ASP 58 5.241 12.526 1.234
457 HA ASP 58 HA ASP 58 5.799 15.098 0.143
458 HB2 ASP 58 HB2 ASP 58 7.150 14.246 1.968
459 HB3 ASP 58 HB1 ASP 58 7.562 12.791 1.073
460 H VAL 59 HN VAL 59 5.747 11.879 -1.126
461 HA VAL 59 HA VAL 59 7.485 11.911 -3.262
462 HB VAL 59 HB VAL 59 4.783 10.512 -2.973
463 HG11 VAL 59 HG11 VAL 59 5.354 10.484 -5.368
464 HG12 VAL 59 HG12 VAL 59 5.550 8.869 -4.689
465 HG13 VAL 59 HG13 VAL 59 6.970 9.869 -5.008
466 HG21 VAL 59 HG21 VAL 59 6.113 8.551 -2.280
467 HG22 VAL 59 HG22 VAL 59 6.402 9.935 -1.227
468 HG23 VAL 59 HG23 VAL 59 7.600 9.492 -2.444
469 H PHE 60 HN PHE 60 4.300 13.397 -3.041
470 HA PHE 60 HA PHE 60 4.552 15.056 -5.303
471 HB2 PHE 60 HB2 PHE 60 2.495 13.998 -6.570
472 HB3 PHE 60 HB1 PHE 60 4.105 13.352 -6.845
473 HD1 PHE 60 HD1 PHE 60 2.296 12.460 -3.736
474 HD2 PHE 60 HD2 PHE 60 3.175 11.316 -7.760
475 HE1 PHE 60 HE1 PHE 60 1.486 10.188 -3.275
476 HE2 PHE 60 HE2 PHE 60 2.369 9.044 -7.279
477 HZ PHE 60 HZ PHE 60 1.530 8.491 -5.041
478 H GLY 61 HN GLY 61 1.741 15.416 -5.839
479 HA2 GLY 61 HA2 GLY 61 0.911 17.049 -3.686
480 HA3 GLY 61 HA1 GLY 61 -0.083 16.558 -5.052
481 H ALA 62 HN ALA 62 0.092 13.749 -4.621
482 HA ALA 62 HA ALA 62 -1.022 12.030 -3.690
483 HB1 ALA 62 HB1 ALA 62 0.804 12.263 -2.035
484 HB2 ALA 62 HB2 ALA 62 -0.672 11.663 -1.276
485 HB3 ALA 62 HB3 ALA 62 -0.201 13.351 -1.074
Start of MODEL 11
1 H1 MET 1 HT1 MET 1 -6.841 -3.359 13.916
2 H2 MET 1 HT2 MET 1 -5.337 -4.138 13.870
3 H3 MET 1 HT3 MET 1 -6.755 -5.043 14.000
4 HA MET 1 HA MET 1 -7.470 -4.336 11.823
5 HB2 MET 1 HB2 MET 1 -6.016 -3.013 10.390
6 HB3 MET 1 HB1 MET 1 -6.253 -2.142 11.896
7 HG2 MET 1 HG2 MET 1 -3.784 -3.724 11.137
8 HG3 MET 1 HG1 MET 1 -3.947 -1.965 11.136
9 HE1 MET 1 HE1 MET 1 -1.624 -3.648 12.627
10 HE2 MET 1 HE2 MET 1 -1.498 -2.770 14.149
11 HE3 MET 1 HE3 MET 1 -1.666 -1.888 12.629
12 H LYS 2 HN LYS 2 -6.772 -5.493 9.885
13 HA LYS 2 HA LYS 2 -4.640 -7.484 10.305
14 HB2 LYS 2 HB2 LYS 2 -6.660 -7.206 8.018
15 HB3 LYS 2 HB1 LYS 2 -5.419 -8.453 8.126
16 HG2 LYS 2 HG2 LYS 2 -6.451 -9.255 10.242
17 HG3 LYS 2 HG1 LYS 2 -7.743 -8.073 10.023
18 HD2 LYS 2 HD2 LYS 2 -8.395 -9.169 7.900
19 HD3 LYS 2 HD1 LYS 2 -7.074 -10.330 8.097
20 HE2 LYS 2 HE2 LYS 2 -9.237 -11.284 8.797
21 HE3 LYS 2 HE1 LYS 2 -8.100 -11.197 10.143
22 HZ1 LYS 2 HZ1 LYS 2 -10.331 -10.485 10.770
23 HZ2 LYS 2 HZ2 LYS 2 -10.289 -9.247 9.619
24 HZ3 LYS 2 HZ3 LYS 2 -9.223 -9.219 10.935
25 H LYS 3 HN LYS 3 -2.881 -7.593 8.868
26 HA LYS 3 HA LYS 3 -2.361 -5.185 7.199
27 HB2 LYS 3 HB2 LYS 3 -0.229 -6.744 8.738
28 HB3 LYS 3 HB1 LYS 3 -0.048 -5.202 7.910
29 HG2 LYS 3 HG2 LYS 3 -1.574 -4.166 9.603
30 HG3 LYS 3 HG1 LYS 3 -1.625 -5.711 10.443
31 HD2 LYS 3 HD2 LYS 3 0.823 -3.961 10.035
32 HD3 LYS 3 HD1 LYS 3 -0.058 -4.193 11.542
33 HE2 LYS 3 HE2 LYS 3 1.814 -5.575 11.806
34 HE3 LYS 3 HE1 LYS 3 0.583 -6.712 11.266
35 HZ1 LYS 3 HZ1 LYS 3 1.540 -6.814 9.134
36 HZ2 LYS 3 HZ2 LYS 3 2.862 -6.849 10.190
37 HZ3 LYS 3 HZ3 LYS 3 2.465 -5.420 9.372
38 H ILE 4 HN ILE 4 -1.568 -5.624 5.189
39 HA ILE 4 HA ILE 4 -1.187 -8.454 4.389
40 HB ILE 4 HB ILE 4 -2.722 -6.282 2.925
41 HG12 ILE 4 HG12 ILE 4 -3.634 -8.849 4.268
42 HG13 ILE 4 HG11 ILE 4 -4.145 -7.202 4.625
43 HG21 ILE 4 HG21 ILE 4 -2.247 -9.084 1.900
44 HG22 ILE 4 HG22 ILE 4 -1.462 -7.627 1.293
45 HG23 ILE 4 HG23 ILE 4 -3.206 -7.818 1.113
46 HD11 ILE 4 HD11 ILE 4 -5.913 -8.259 3.495
47 HD12 ILE 4 HD12 ILE 4 -4.843 -8.871 2.234
48 HD13 ILE 4 HD13 ILE 4 -5.182 -7.139 2.337
49 HA PRO 5 HA PRO 5 2.556 -6.830 2.372
50 HB2 PRO 5 HB2 PRO 5 2.395 -9.268 0.632
51 HB3 PRO 5 HB1 PRO 5 3.662 -8.802 1.785
52 HG2 PRO 5 HG2 PRO 5 1.993 -10.864 2.272
53 HG3 PRO 5 HG1 PRO 5 2.613 -9.826 3.582
54 HD2 PRO 5 HD2 PRO 5 -0.082 -9.728 2.212
55 HD3 PRO 5 HD1 PRO 5 0.300 -9.597 3.939
56 H LEU 6 HN LEU 6 2.546 -5.345 0.698
57 HA LEU 6 HA LEU 6 0.274 -4.609 -0.638
58 HB2 LEU 6 HB2 LEU 6 2.149 -3.102 -0.375
59 HB3 LEU 6 HB1 LEU 6 3.159 -4.091 -1.409
60 HG LEU 6 HG LEU 6 1.826 -3.458 -3.381
61 HD11 LEU 6 HD11 LEU 6 0.140 -1.775 -1.515
62 HD12 LEU 6 HD12 LEU 6 -0.377 -3.242 -2.352
63 HD13 LEU 6 HD13 LEU 6 0.042 -1.805 -3.277
64 HD21 LEU 6 HD21 LEU 6 3.702 -1.993 -2.744
65 HD22 LEU 6 HD22 LEU 6 2.607 -1.004 -1.776
66 HD23 LEU 6 HD23 LEU 6 2.409 -1.089 -3.529
67 H SER 7 HN SER 7 2.832 -6.721 -1.824
68 HA SER 7 HA SER 7 2.043 -7.073 -4.458
69 HB2 SER 7 HB2 SER 7 3.277 -9.209 -2.688
70 HB3 SER 7 HB1 SER 7 3.456 -9.022 -4.434
71 HG SER 7 HG SER 7 4.985 -7.617 -4.101
72 H LYS 8 HN LYS 8 1.099 -9.056 -1.591
73 HA LYS 8 HA LYS 8 -0.730 -10.735 -3.011
74 HB2 LYS 8 HB2 LYS 8 -0.322 -10.252 -0.049
75 HB3 LYS 8 HB1 LYS 8 -1.559 -11.347 -0.660
76 HG2 LYS 8 HG2 LYS 8 0.303 -12.570 -1.903
77 HG3 LYS 8 HG1 LYS 8 1.441 -11.604 -0.962
78 HD2 LYS 8 HD2 LYS 8 0.603 -12.559 1.123
79 HD3 LYS 8 HD1 LYS 8 -0.685 -13.400 0.252
80 HE2 LYS 8 HE2 LYS 8 1.169 -14.923 0.848
81 HE3 LYS 8 HE1 LYS 8 0.957 -14.806 -0.896
82 HZ1 LYS 8 HZ1 LYS 8 2.822 -13.222 -0.939
83 HZ2 LYS 8 HZ2 LYS 8 3.275 -14.738 -0.350
84 HZ3 LYS 8 HZ3 LYS 8 3.050 -13.451 0.725
85 H TYR 9 HN TYR 9 -1.103 -7.647 -1.397
86 HA TYR 9 HA TYR 9 -3.944 -7.589 -1.336
87 HB2 TYR 9 HB2 TYR 9 -2.566 -5.977 -0.036
88 HB3 TYR 9 HB1 TYR 9 -1.995 -5.243 -1.516
89 HD1 TYR 9 HD1 TYR 9 -4.784 -5.488 0.838
90 HD2 TYR 9 HD2 TYR 9 -3.565 -3.874 -2.930
91 HE1 TYR 9 HE1 TYR 9 -6.754 -4.061 0.813
92 HE2 TYR 9 HE2 TYR 9 -5.548 -2.432 -2.939
93 HH TYR 9 HH TYR 9 -7.823 -2.434 -1.956
94 H LEU 10 HN LEU 10 -1.532 -6.635 -3.728
95 HA LEU 10 HA LEU 10 -3.363 -5.615 -5.662
96 HB2 LEU 10 HB2 LEU 10 -0.460 -6.484 -5.925
97 HB3 LEU 10 HB1 LEU 10 -1.365 -5.658 -7.185
98 HG LEU 10 HG LEU 10 -0.696 -4.490 -4.454
99 HD11 LEU 10 HD11 LEU 10 1.297 -4.706 -5.827
100 HD12 LEU 10 HD12 LEU 10 0.848 -3.012 -5.647
101 HD13 LEU 10 HD13 LEU 10 0.507 -3.855 -7.161
102 HD21 LEU 10 HD21 LEU 10 -2.088 -3.187 -6.813
103 HD22 LEU 10 HD22 LEU 10 -1.548 -2.353 -5.352
104 HD23 LEU 10 HD23 LEU 10 -2.805 -3.581 -5.249
105 H GLU 11 HN GLU 11 -2.300 -8.846 -4.869
106 HA GLU 11 HA GLU 11 -2.981 -10.038 -7.395
107 HB2 GLU 11 HB2 GLU 11 -2.862 -11.385 -4.652
108 HB3 GLU 11 HB1 GLU 11 -2.889 -12.199 -6.209
109 HG2 GLU 11 HG2 GLU 11 -0.649 -10.572 -5.006
110 HG3 GLU 11 HG1 GLU 11 -0.651 -12.278 -5.423
111 H GLU 12 HN GLU 12 -4.632 -9.891 -4.207
112 HA GLU 12 HA GLU 12 -7.059 -11.059 -5.453
113 HB2 GLU 12 HB2 GLU 12 -5.971 -12.519 -3.795
114 HB3 GLU 12 HB1 GLU 12 -6.057 -11.246 -2.580
115 HG2 GLU 12 HG2 GLU 12 -8.552 -11.356 -2.677
116 HG3 GLU 12 HG1 GLU 12 -8.420 -12.667 -3.850
117 H HIS 13 HN HIS 13 -5.936 -8.589 -3.158
118 HA HIS 13 HA HIS 13 -8.684 -7.949 -2.336
119 HB2 HIS 13 HB2 HIS 13 -5.940 -7.218 -1.269
120 HB3 HIS 13 HB1 HIS 13 -7.402 -6.444 -0.669
121 HD1 HIS 13 HD1 HIS 13 -8.328 -7.515 1.344
122 HD2 HIS 13 HD2 HIS 13 -6.201 -10.215 -0.983
123 HE1 HIS 13 HE1 HIS 13 -8.335 -9.655 2.631
124 HE2 HIS 13 HE2 HIS 13 -7.310 -11.338 1.065
125 H GLY 14 HN GLY 14 -7.086 -7.020 -4.919
126 HA2 GLY 14 HA2 GLY 14 -8.610 -5.023 -5.816
127 HA3 GLY 14 HA1 GLY 14 -7.482 -4.131 -4.791
128 H THR 15 HN THR 15 -7.698 -3.740 -7.567
129 HA THR 15 HA THR 15 -5.178 -4.760 -8.678
130 HB THR 15 HB THR 15 -5.825 -3.490 -10.714
131 HG1 THR 15 HG1 THR 15 -8.161 -2.642 -10.511
132 HG21 THR 15 HG21 THR 15 -8.141 -5.123 -9.615
133 HG22 THR 15 HG22 THR 15 -6.730 -5.770 -10.456
134 HG23 THR 15 HG23 THR 15 -7.870 -4.734 -11.315
135 H GLN 16 HN GLN 16 -3.843 -2.890 -9.787
136 HA GLN 16 HA GLN 16 -2.852 -1.188 -7.708
137 HB2 GLN 16 HB2 GLN 16 -2.162 -1.182 -10.682
138 HB3 GLN 16 HB1 GLN 16 -1.304 -0.272 -9.451
139 HG2 GLN 16 HG2 GLN 16 0.024 -2.177 -9.928
140 HG3 GLN 16 HG1 GLN 16 -0.724 -2.487 -8.356
141 HE21 GLN 16 HE21 GLN 16 -2.287 -4.169 -8.212
142 HE22 GLN 16 HE22 GLN 16 -2.486 -5.349 -9.458
143 H SER 17 HN SER 17 -5.042 -0.829 -10.375
144 HA SER 17 HA SER 17 -5.318 2.028 -10.340
145 HB2 SER 17 HB2 SER 17 -7.188 -0.105 -11.447
146 HB3 SER 17 HB1 SER 17 -7.193 1.606 -11.869
147 HG SER 17 HG SER 17 -4.734 0.716 -12.294
148 H ALA 18 HN ALA 18 -7.194 -0.715 -9.018
149 HA ALA 18 HA ALA 18 -9.346 0.732 -7.893
150 HB1 ALA 18 HB1 ALA 18 -9.400 -1.717 -8.242
151 HB2 ALA 18 HB2 ALA 18 -9.805 -1.286 -6.579
152 HB3 ALA 18 HB3 ALA 18 -8.202 -1.921 -6.956
153 H LEU 19 HN LEU 19 -6.201 -0.212 -6.656
154 HA LEU 19 HA LEU 19 -6.692 0.569 -3.950
155 HB2 LEU 19 HB2 LEU 19 -5.018 -1.138 -4.368
156 HB3 LEU 19 HB1 LEU 19 -4.108 -0.065 -5.421
157 HG LEU 19 HG LEU 19 -3.524 1.363 -3.472
158 HD11 LEU 19 HD11 LEU 19 -5.451 0.982 -2.022
159 HD12 LEU 19 HD12 LEU 19 -3.952 0.637 -1.170
160 HD13 LEU 19 HD13 LEU 19 -4.951 -0.691 -1.755
161 HD21 LEU 19 HD21 LEU 19 -1.988 -0.402 -4.151
162 HD22 LEU 19 HD22 LEU 19 -2.805 -1.557 -3.095
163 HD23 LEU 19 HD23 LEU 19 -1.941 -0.180 -2.405
164 H ALA 20 HN ALA 20 -4.865 1.980 -6.668
165 HA ALA 20 HA ALA 20 -3.994 4.368 -5.509
166 HB1 ALA 20 HB1 ALA 20 -3.812 5.220 -7.814
167 HB2 ALA 20 HB2 ALA 20 -4.813 3.886 -8.395
168 HB3 ALA 20 HB3 ALA 20 -3.226 3.560 -7.697
169 H ALA 21 HN ALA 21 -7.066 3.623 -7.128
170 HA ALA 21 HA ALA 21 -8.286 6.159 -6.953
171 HB1 ALA 21 HB1 ALA 21 -10.399 4.950 -7.322
172 HB2 ALA 21 HB2 ALA 21 -9.598 3.420 -6.955
173 HB3 ALA 21 HB3 ALA 21 -9.126 4.342 -8.383
174 H ALA 22 HN ALA 22 -8.332 3.370 -4.746
175 HA ALA 22 HA ALA 22 -10.190 4.309 -2.851
176 HB1 ALA 22 HB1 ALA 22 -7.908 2.353 -2.400
177 HB2 ALA 22 HB2 ALA 22 -9.499 1.945 -3.048
178 HB3 ALA 22 HB3 ALA 22 -9.347 2.530 -1.391
179 H LEU 23 HN LEU 23 -6.694 4.752 -3.075
180 HA LEU 23 HA LEU 23 -6.444 6.007 -0.454
181 HB2 LEU 23 HB2 LEU 23 -4.387 5.739 -2.677
182 HB3 LEU 23 HB1 LEU 23 -4.061 6.185 -1.012
183 HG LEU 23 HG LEU 23 -5.020 3.454 -1.949
184 HD11 LEU 23 HD11 LEU 23 -2.737 3.898 -2.669
185 HD12 LEU 23 HD12 LEU 23 -2.753 2.680 -1.397
186 HD13 LEU 23 HD13 LEU 23 -2.271 4.337 -1.022
187 HD21 LEU 23 HD21 LEU 23 -4.222 4.357 0.837
188 HD22 LEU 23 HD22 LEU 23 -4.536 2.688 0.355
189 HD23 LEU 23 HD23 LEU 23 -5.837 3.879 0.303
190 H GLY 24 HN GLY 24 -7.090 7.019 -3.696
191 HA2 GLY 24 HA2 GLY 24 -7.481 9.122 -4.601
192 HA3 GLY 24 HA1 GLY 24 -7.055 9.844 -3.056
193 H VAL 25 HN VAL 25 -5.030 7.596 -4.799
194 HA VAL 25 HA VAL 25 -2.969 9.670 -5.307
195 HB VAL 25 HB VAL 25 -1.249 8.134 -4.634
196 HG11 VAL 25 HG11 VAL 25 -3.550 7.914 -2.676
197 HG12 VAL 25 HG12 VAL 25 -2.354 9.212 -2.757
198 HG13 VAL 25 HG13 VAL 25 -1.861 7.585 -2.292
199 HG21 VAL 25 HG21 VAL 25 -2.069 6.047 -5.639
200 HG22 VAL 25 HG22 VAL 25 -3.349 5.935 -4.431
201 HG23 VAL 25 HG23 VAL 25 -1.661 5.777 -3.944
202 H ASN 26 HN ASN 26 -1.224 8.613 -6.867
203 HA ASN 26 HA ASN 26 -2.595 7.692 -9.293
204 HB2 ASN 26 HB2 ASN 26 0.282 8.556 -8.771
205 HB3 ASN 26 HB1 ASN 26 -0.318 8.033 -10.344
206 HD21 ASN 26 HD21 ASN 26 -1.697 9.402 -11.517
207 HD22 ASN 26 HD22 ASN 26 -1.945 11.059 -11.090
208 H GLN 27 HN GLN 27 -1.664 5.942 -10.577
209 HA GLN 27 HA GLN 27 -1.144 3.519 -9.104
210 HB2 GLN 27 HB2 GLN 27 -0.957 4.054 -12.104
211 HB3 GLN 27 HB1 GLN 27 -0.963 2.464 -11.344
212 HG2 GLN 27 HG2 GLN 27 -3.261 2.848 -10.540
213 HG3 GLN 27 HG1 GLN 27 -3.249 4.450 -11.288
214 HE21 GLN 27 HE21 GLN 27 -4.971 3.956 -12.670
215 HE22 GLN 27 HE22 GLN 27 -4.813 2.875 -14.007
216 H SER 28 HN SER 28 0.780 5.889 -10.801
217 HA SER 28 HA SER 28 3.249 4.531 -10.925
218 HB2 SER 28 HB2 SER 28 2.777 6.630 -12.177
219 HB3 SER 28 HB1 SER 28 2.755 7.537 -10.667
220 HG SER 28 HG SER 28 4.871 7.517 -10.635
221 H ALA 29 HN ALA 29 1.652 6.373 -8.354
222 HA ALA 29 HA ALA 29 3.740 6.434 -6.436
223 HB1 ALA 29 HB1 ALA 29 0.736 6.256 -5.971
224 HB2 ALA 29 HB2 ALA 29 1.650 7.742 -6.236
225 HB3 ALA 29 HB3 ALA 29 1.946 6.773 -4.793
226 H ILE 30 HN ILE 30 1.087 4.079 -6.898
227 HA ILE 30 HA ILE 30 1.700 2.281 -4.839
228 HB ILE 30 HB ILE 30 0.500 1.556 -7.560
229 HG12 ILE 30 HG12 ILE 30 -0.764 3.419 -6.650
230 HG13 ILE 30 HG11 ILE 30 -1.729 1.958 -6.498
231 HG21 ILE 30 HG21 ILE 30 0.187 0.150 -4.879
232 HG22 ILE 30 HG22 ILE 30 1.088 -0.445 -6.275
233 HG23 ILE 30 HG23 ILE 30 -0.663 -0.270 -6.369
234 HD11 ILE 30 HD11 ILE 30 -0.229 3.360 -4.287
235 HD12 ILE 30 HD12 ILE 30 -1.122 1.848 -4.104
236 HD13 ILE 30 HD13 ILE 30 -1.972 3.327 -4.545
237 H SER 31 HN SER 31 2.657 2.207 -8.247
238 HA SER 31 HA SER 31 4.186 -0.207 -8.156
239 HB2 SER 31 HB2 SER 31 3.047 0.599 -10.195
240 HB3 SER 31 HB1 SER 31 4.080 2.028 -10.240
241 HG SER 31 HG SER 31 5.276 -0.507 -10.211
242 H GLN 32 HN GLN 32 4.975 3.175 -7.546
243 HA GLN 32 HA GLN 32 7.836 2.923 -7.897
244 HB2 GLN 32 HB2 GLN 32 6.540 5.104 -8.052
245 HB3 GLN 32 HB1 GLN 32 6.330 5.053 -6.306
246 HG2 GLN 32 HG2 GLN 32 8.885 5.024 -6.148
247 HG3 GLN 32 HG1 GLN 32 8.904 5.389 -7.876
248 HE21 GLN 32 HE21 GLN 32 7.971 7.433 -8.559
249 HE22 GLN 32 HE22 GLN 32 7.888 8.766 -7.466
250 H MET 33 HN MET 33 5.533 2.678 -5.267
251 HA MET 33 HA MET 33 7.377 2.448 -3.092
252 HB2 MET 33 HB2 MET 33 4.519 1.476 -3.282
253 HB3 MET 33 HB1 MET 33 5.454 1.684 -1.811
254 HG2 MET 33 HG2 MET 33 5.562 4.227 -2.979
255 HG3 MET 33 HG1 MET 33 3.938 3.664 -3.346
256 HE1 MET 33 HE1 MET 33 3.919 1.581 -0.745
257 HE2 MET 33 HE2 MET 33 2.450 2.412 -1.289
258 HE3 MET 33 HE3 MET 33 2.961 2.522 0.406
259 H VAL 34 HN VAL 34 5.673 0.139 -5.161
260 HA VAL 34 HA VAL 34 6.745 -2.280 -4.179
261 HB VAL 34 HB VAL 34 5.874 -1.501 -7.012
262 HG11 VAL 34 HG11 VAL 34 6.242 -4.314 -5.924
263 HG12 VAL 34 HG12 VAL 34 7.301 -3.512 -7.084
264 HG13 VAL 34 HG13 VAL 34 5.633 -3.870 -7.524
265 HG21 VAL 34 HG21 VAL 34 4.316 -2.974 -4.857
266 HG22 VAL 34 HG22 VAL 34 3.743 -2.597 -6.484
267 HG23 VAL 34 HG23 VAL 34 4.073 -1.296 -5.343
268 H ARG 35 HN ARG 35 7.935 0.035 -6.607
269 HA ARG 35 HA ARG 35 10.197 -1.538 -7.443
270 HB2 ARG 35 HB2 ARG 35 8.940 0.029 -8.921
271 HB3 ARG 35 HB1 ARG 35 9.547 1.388 -7.985
272 HG2 ARG 35 HG2 ARG 35 11.872 0.754 -8.662
273 HG3 ARG 35 HG1 ARG 35 11.196 -0.531 -9.669
274 HD2 ARG 35 HD2 ARG 35 9.965 1.167 -10.985
275 HD3 ARG 35 HD1 ARG 35 10.666 2.442 -9.979
276 HE ARG 35 HE ARG 35 12.719 0.856 -11.096
277 HH11 ARG 35 HH11 ARG 35 11.308 3.863 -13.370
278 HH12 ARG 35 HH12 ARG 35 10.366 3.271 -12.041
279 HH21 ARG 35 HH21 ARG 35 13.384 2.896 -13.834
280 HH22 ARG 35 HH22 ARG 35 13.968 1.597 -12.841
281 H ALA 36 HN ALA 36 9.681 0.707 -4.888
282 HA ALA 36 HA ALA 36 12.278 1.778 -4.550
283 HB1 ALA 36 HB1 ALA 36 10.271 2.706 -3.467
284 HB2 ALA 36 HB2 ALA 36 11.526 2.349 -2.278
285 HB3 ALA 36 HB3 ALA 36 10.141 1.267 -2.455
286 H GLY 37 HN GLY 37 11.042 -1.373 -4.003
287 HA2 GLY 37 HA2 GLY 37 12.260 -3.300 -3.479
288 HA3 GLY 37 HA1 GLY 37 13.545 -2.315 -2.798
289 H ARG 38 HN ARG 38 10.682 -1.111 -1.644
290 HA ARG 38 HA ARG 38 10.867 -2.553 0.899
291 HB2 ARG 38 HB2 ARG 38 9.307 -0.063 0.058
292 HB3 ARG 38 HB1 ARG 38 9.084 -0.847 1.616
293 HG2 ARG 38 HG2 ARG 38 10.487 1.057 1.935
294 HG3 ARG 38 HG1 ARG 38 11.482 -0.378 2.157
295 HD2 ARG 38 HD2 ARG 38 12.569 -0.050 0.045
296 HD3 ARG 38 HD1 ARG 38 11.398 1.178 -0.447
297 HE ARG 38 HE ARG 38 12.480 2.226 1.810
298 HH11 ARG 38 HH11 ARG 38 13.968 1.039 -1.174
299 HH12 ARG 38 HH12 ARG 38 15.316 2.125 -1.056
300 HH21 ARG 38 HH21 ARG 38 14.245 3.638 1.914
301 HH22 ARG 38 HH22 ARG 38 15.471 3.591 0.685
302 H CYS 39 HN CYS 39 9.598 -4.367 1.104
303 HA CYS 39 HA CYS 39 7.088 -4.733 -0.244
304 HB2 CYS 39 HB2 CYS 39 8.375 -6.658 0.704
305 HB3 CYS 39 HB1 CYS 39 8.044 -6.065 2.332
306 HG CYS 39 HG CYS 39 6.106 -7.779 0.225
307 H ILE 40 HN ILE 40 5.152 -3.799 0.304
308 HA ILE 40 HA ILE 40 5.323 -1.771 2.431
309 HB ILE 40 HB ILE 40 3.524 -1.976 -0.009
310 HG12 ILE 40 HG12 ILE 40 5.809 -1.406 -0.617
311 HG13 ILE 40 HG11 ILE 40 4.769 -0.009 -0.844
312 HG21 ILE 40 HG21 ILE 40 3.541 0.237 2.021
313 HG22 ILE 40 HG22 ILE 40 2.254 -0.941 1.776
314 HG23 ILE 40 HG23 ILE 40 2.641 0.217 0.506
315 HD11 ILE 40 HD11 ILE 40 5.632 0.958 1.236
316 HD12 ILE 40 HD12 ILE 40 6.912 0.625 0.070
317 HD13 ILE 40 HD13 ILE 40 6.675 -0.451 1.447
318 H ASP 41 HN ASP 41 3.959 -1.660 4.086
319 HA ASP 41 HA ASP 41 2.198 -3.927 4.647
320 HB2 ASP 41 HB2 ASP 41 3.932 -3.110 6.291
321 HB3 ASP 41 HB1 ASP 41 3.037 -1.605 6.444
322 H ILE 42 HN ILE 42 0.258 -3.665 3.654
323 HA ILE 42 HA ILE 42 -1.173 -1.107 3.642
324 HB ILE 42 HB ILE 42 -1.999 -3.843 2.551
325 HG12 ILE 42 HG12 ILE 42 -0.052 -2.879 1.349
326 HG13 ILE 42 HG11 ILE 42 -1.477 -2.940 0.321
327 HG21 ILE 42 HG21 ILE 42 -3.330 -1.133 2.154
328 HG22 ILE 42 HG22 ILE 42 -3.979 -2.493 3.073
329 HG23 ILE 42 HG23 ILE 42 -3.783 -2.626 1.326
330 HD11 ILE 42 HD11 ILE 42 -0.397 -0.477 1.703
331 HD12 ILE 42 HD12 ILE 42 -1.828 -0.535 0.670
332 HD13 ILE 42 HD13 ILE 42 -0.237 -0.876 -0.007
333 H GLU 43 HN GLU 43 -2.610 -0.583 5.161
334 HA GLU 43 HA GLU 43 -3.244 -2.474 7.295
335 HB2 GLU 43 HB2 GLU 43 -2.378 -0.278 7.922
336 HB3 GLU 43 HB1 GLU 43 -3.670 0.533 7.040
337 HG2 GLU 43 HG2 GLU 43 -5.327 -0.160 8.611
338 HG3 GLU 43 HG1 GLU 43 -4.247 -1.337 9.354
339 H LEU 44 HN LEU 44 -4.898 -3.769 6.772
340 HA LEU 44 HA LEU 44 -7.401 -2.858 5.598
341 HB2 LEU 44 HB2 LEU 44 -6.224 -5.495 6.478
342 HB3 LEU 44 HB1 LEU 44 -7.970 -5.378 6.467
343 HG LEU 44 HG LEU 44 -6.956 -6.415 4.412
344 HD11 LEU 44 HD11 LEU 44 -8.648 -3.940 3.951
345 HD12 LEU 44 HD12 LEU 44 -9.227 -5.561 4.340
346 HD13 LEU 44 HD13 LEU 44 -8.422 -5.264 2.802
347 HD21 LEU 44 HD21 LEU 44 -5.919 -5.036 2.703
348 HD22 LEU 44 HD22 LEU 44 -4.976 -4.945 4.190
349 HD23 LEU 44 HD23 LEU 44 -6.029 -3.604 3.734
350 H TYR 45 HN TYR 45 -8.430 -1.464 6.983
351 HA TYR 45 HA TYR 45 -8.876 -1.851 9.760
352 HB2 TYR 45 HB2 TYR 45 -10.559 -0.377 7.694
353 HB3 TYR 45 HB1 TYR 45 -10.815 -0.280 9.432
354 HD1 TYR 45 HD1 TYR 45 -8.637 0.452 10.828
355 HD2 TYR 45 HD2 TYR 45 -9.289 1.350 6.699
356 HE1 TYR 45 HE1 TYR 45 -7.074 2.341 10.986
357 HE2 TYR 45 HE2 TYR 45 -7.729 3.238 6.864
358 HH TYR 45 HH TYR 45 -5.602 3.668 9.409
359 H THR 46 HN THR 46 -10.814 -2.562 10.811
360 HA THR 46 HA THR 46 -11.637 -5.122 9.965
361 HB THR 46 HB THR 46 -13.244 -4.902 11.997
362 HG1 THR 46 HG1 THR 46 -13.477 -2.829 12.494
363 HG21 THR 46 HG21 THR 46 -11.064 -6.034 12.180
364 HG22 THR 46 HG22 THR 46 -11.386 -5.077 13.628
365 HG23 THR 46 HG23 THR 46 -10.260 -4.478 12.410
366 H ASP 47 HN ASP 47 -13.159 -1.983 9.520
367 HA ASP 47 HA ASP 47 -15.792 -3.000 8.894
368 HB2 ASP 47 HB2 ASP 47 -16.418 -0.753 8.470
369 HB3 ASP 47 HB1 ASP 47 -15.232 -0.637 9.760
370 H GLY 48 HN GLY 48 -12.855 -2.602 7.141
371 HA2 GLY 48 HA2 GLY 48 -12.618 -3.905 5.093
372 HA3 GLY 48 HA1 GLY 48 -14.196 -3.319 4.589
373 H ARG 49 HN ARG 49 -12.449 -0.770 6.034
374 HA ARG 49 HA ARG 49 -11.703 0.360 3.443
375 HB2 ARG 49 HB2 ARG 49 -12.040 1.411 6.208
376 HB3 ARG 49 HB1 ARG 49 -10.686 2.130 5.351
377 HG2 ARG 49 HG2 ARG 49 -12.785 3.441 5.156
378 HG3 ARG 49 HG1 ARG 49 -12.129 2.949 3.595
379 HD2 ARG 49 HD2 ARG 49 -13.779 1.164 3.425
380 HD3 ARG 49 HD1 ARG 49 -14.398 1.532 5.037
381 HE ARG 49 HE ARG 49 -14.535 3.461 2.790
382 HH11 ARG 49 HH11 ARG 49 -16.097 1.742 5.428
383 HH12 ARG 49 HH12 ARG 49 -17.608 2.580 5.236
384 HH21 ARG 49 HH21 ARG 49 -17.851 4.159 3.596
385 HH22 ARG 49 HH22 ARG 49 -16.532 4.536 2.535
386 H VAL 50 HN VAL 50 -9.526 1.190 3.017
387 HA VAL 50 HA VAL 50 -7.357 -0.272 4.407
388 HB VAL 50 HB VAL 50 -6.138 -0.568 2.303
389 HG11 VAL 50 HG11 VAL 50 -7.590 -2.387 3.023
390 HG12 VAL 50 HG12 VAL 50 -7.543 -2.308 1.263
391 HG13 VAL 50 HG13 VAL 50 -8.951 -1.698 2.134
392 HG21 VAL 50 HG21 VAL 50 -7.155 -0.140 0.086
393 HG22 VAL 50 HG22 VAL 50 -6.958 1.353 1.005
394 HG23 VAL 50 HG23 VAL 50 -8.553 0.614 0.868
395 H GLU 51 HN GLU 51 -5.394 0.777 4.535
396 HA GLU 51 HA GLU 51 -5.164 3.581 3.666
397 HB2 GLU 51 HB2 GLU 51 -6.080 3.312 6.116
398 HB3 GLU 51 HB1 GLU 51 -4.459 2.794 6.528
399 HG2 GLU 51 HG2 GLU 51 -5.211 5.474 5.343
400 HG3 GLU 51 HG1 GLU 51 -4.904 5.172 7.046
401 H CYS 52 HN CYS 52 -3.218 3.801 2.733
402 HA CYS 52 HA CYS 52 -1.165 1.738 3.116
403 HB2 CYS 52 HB2 CYS 52 -1.824 2.302 0.806
404 HB3 CYS 52 HB1 CYS 52 -1.335 3.974 1.069
405 HG CYS 52 HG CYS 52 1.084 3.661 0.368
406 H ARG 53 HN ARG 53 0.038 2.186 4.894
407 HA ARG 53 HA ARG 53 0.289 4.747 6.090
408 HB2 ARG 53 HB2 ARG 53 0.324 2.541 7.276
409 HB3 ARG 53 HB1 ARG 53 1.918 2.226 6.601
410 HG2 ARG 53 HG2 ARG 53 2.683 4.371 7.806
411 HG3 ARG 53 HG1 ARG 53 1.133 4.314 8.652
412 HD2 ARG 53 HD2 ARG 53 2.907 3.267 9.992
413 HD3 ARG 53 HD1 ARG 53 1.688 2.072 9.529
414 HE ARG 53 HE ARG 53 4.274 2.397 8.121
415 HH11 ARG 53 HH11 ARG 53 2.657 -1.175 8.977
416 HH12 ARG 53 HH12 ARG 53 1.834 0.258 9.498
417 HH21 ARG 53 HH21 ARG 53 4.597 -1.014 7.749
418 HH22 ARG 53 HH22 ARG 53 5.232 0.549 7.337
419 H GLU 54 HN GLU 54 2.217 3.131 3.709
420 HA GLU 54 HA GLU 54 4.670 4.623 4.204
421 HB2 GLU 54 HB2 GLU 54 4.062 2.780 1.873
422 HB3 GLU 54 HB1 GLU 54 5.642 3.263 2.470
423 HG2 GLU 54 HG2 GLU 54 3.653 1.473 3.873
424 HG3 GLU 54 HG1 GLU 54 5.141 0.970 3.082
425 H LEU 55 HN LEU 55 1.821 5.256 2.570
426 HA LEU 55 HA LEU 55 2.845 6.464 0.171
427 HB2 LEU 55 HB2 LEU 55 0.537 5.290 0.538
428 HB3 LEU 55 HB1 LEU 55 0.025 6.796 1.269
429 HG LEU 55 HG LEU 55 -0.754 6.650 -1.053
430 HD11 LEU 55 HD11 LEU 55 0.044 8.763 -1.988
431 HD12 LEU 55 HD12 LEU 55 1.402 8.776 -0.861
432 HD13 LEU 55 HD13 LEU 55 -0.249 8.908 -0.254
433 HD21 LEU 55 HD21 LEU 55 0.772 6.561 -2.975
434 HD22 LEU 55 HD22 LEU 55 0.950 5.137 -1.953
435 HD23 LEU 55 HD23 LEU 55 2.158 6.421 -1.887
436 H ARG 56 HN ARG 56 4.326 7.922 1.198
437 HA ARG 56 HA ARG 56 3.442 10.340 2.462
438 HB2 ARG 56 HB2 ARG 56 5.857 9.952 0.627
439 HB3 ARG 56 HB1 ARG 56 5.630 11.264 1.774
440 HG2 ARG 56 HG2 ARG 56 6.069 8.340 2.435
441 HG3 ARG 56 HG1 ARG 56 7.229 9.653 2.646
442 HD2 ARG 56 HD2 ARG 56 5.760 10.689 4.333
443 HD3 ARG 56 HD1 ARG 56 4.572 9.404 4.103
444 HE ARG 56 HE ARG 56 7.300 8.952 5.161
445 HH11 ARG 56 HH11 ARG 56 3.846 8.259 5.266
446 HH12 ARG 56 HH12 ARG 56 4.003 7.117 6.564
447 HH21 ARG 56 HH21 ARG 56 6.060 6.694 7.492
448 HH22 ARG 56 HH22 ARG 56 7.472 7.515 6.901
449 HA PRO 57 HA PRO 57 0.975 11.700 -1.108
450 HB2 PRO 57 HB2 PRO 57 1.417 14.457 0.065
451 HB3 PRO 57 HB1 PRO 57 -0.100 13.659 -0.417
452 HG2 PRO 57 HG2 PRO 57 0.504 13.851 2.146
453 HG3 PRO 57 HG1 PRO 57 -0.189 12.340 1.507
454 HD2 PRO 57 HD2 PRO 57 2.686 12.943 2.213
455 HD3 PRO 57 HD1 PRO 57 1.733 11.474 2.524
456 H ASP 58 HN ASP 58 4.127 13.001 -0.384
457 HA ASP 58 HA ASP 58 4.527 14.670 -2.651
458 HB2 ASP 58 HB2 ASP 58 5.873 14.886 -0.626
459 HB3 ASP 58 HB1 ASP 58 6.505 13.255 -0.816
460 H VAL 59 HN VAL 59 4.531 11.275 -2.292
461 HA VAL 59 HA VAL 59 6.361 10.259 -4.069
462 HB VAL 59 HB VAL 59 4.916 8.969 -2.457
463 HG11 VAL 59 HG11 VAL 59 2.702 8.191 -3.151
464 HG12 VAL 59 HG12 VAL 59 2.797 9.186 -4.605
465 HG13 VAL 59 HG13 VAL 59 2.761 9.949 -3.015
466 HG21 VAL 59 HG21 VAL 59 4.755 6.896 -3.801
467 HG22 VAL 59 HG22 VAL 59 6.277 7.739 -4.089
468 HG23 VAL 59 HG23 VAL 59 4.980 7.834 -5.281
469 H PHE 60 HN PHE 60 3.381 11.906 -4.817
470 HA PHE 60 HA PHE 60 2.768 11.005 -7.393
471 HB2 PHE 60 HB2 PHE 60 2.430 13.835 -6.329
472 HB3 PHE 60 HB1 PHE 60 1.531 13.113 -7.660
473 HD1 PHE 60 HD1 PHE 60 0.279 14.507 -5.316
474 HD2 PHE 60 HD2 PHE 60 1.254 10.377 -5.892
475 HE1 PHE 60 HE1 PHE 60 -1.473 13.863 -3.713
476 HE2 PHE 60 HE2 PHE 60 -0.495 9.757 -4.291
477 HZ PHE 60 HZ PHE 60 -1.863 11.486 -3.199
478 H GLY 61 HN GLY 61 4.340 14.126 -6.617
479 HA2 GLY 61 HA2 GLY 61 5.761 14.132 -9.203
480 HA3 GLY 61 HA1 GLY 61 5.506 15.513 -8.139
481 H ALA 62 HN ALA 62 6.820 12.249 -7.732
482 HA ALA 62 HA ALA 62 9.313 13.353 -6.581
483 HB1 ALA 62 HB1 ALA 62 9.360 11.368 -5.096
484 HB2 ALA 62 HB2 ALA 62 7.817 10.830 -5.770
485 HB3 ALA 62 HB3 ALA 62 7.895 12.330 -4.848
Start of MODEL 12
1 H1 MET 1 HT1 MET 1 -5.091 -4.521 13.813
2 H2 MET 1 HT2 MET 1 -6.308 -5.381 13.024
3 H3 MET 1 HT3 MET 1 -6.422 -3.700 13.170
4 HA MET 1 HA MET 1 -5.794 -4.340 10.963
5 HB2 MET 1 HB2 MET 1 -3.743 -2.914 10.749
6 HB3 MET 1 HB1 MET 1 -4.996 -2.173 11.728
7 HG2 MET 1 HG2 MET 1 -3.763 -2.805 13.780
8 HG3 MET 1 HG1 MET 1 -2.494 -3.521 12.787
9 HE1 MET 1 HE1 MET 1 -0.887 -2.070 11.163
10 HE2 MET 1 HE2 MET 1 -1.000 -0.316 10.997
11 HE3 MET 1 HE3 MET 1 -2.282 -1.348 10.364
12 H LYS 2 HN LYS 2 -4.953 -5.915 9.742
13 HA LYS 2 HA LYS 2 -2.753 -7.590 10.788
14 HB2 LYS 2 HB2 LYS 2 -3.545 -9.369 9.364
15 HB3 LYS 2 HB1 LYS 2 -4.934 -8.722 10.226
16 HG2 LYS 2 HG2 LYS 2 -5.301 -7.302 8.052
17 HG3 LYS 2 HG1 LYS 2 -4.236 -8.487 7.300
18 HD2 LYS 2 HD2 LYS 2 -6.563 -9.132 6.939
19 HD3 LYS 2 HD1 LYS 2 -5.791 -10.305 8.010
20 HE2 LYS 2 HE2 LYS 2 -6.853 -9.302 9.953
21 HE3 LYS 2 HE1 LYS 2 -7.526 -7.999 8.970
22 HZ1 LYS 2 HZ1 LYS 2 -8.861 -9.614 7.801
23 HZ2 LYS 2 HZ2 LYS 2 -9.156 -9.710 9.461
24 HZ3 LYS 2 HZ3 LYS 2 -8.198 -10.875 8.705
25 H LYS 3 HN LYS 3 -1.117 -8.239 9.228
26 HA LYS 3 HA LYS 3 -0.417 -6.011 7.401
27 HB2 LYS 3 HB2 LYS 3 1.445 -7.677 9.157
28 HB3 LYS 3 HB1 LYS 3 1.902 -6.295 8.160
29 HG2 LYS 3 HG2 LYS 3 0.654 -4.773 9.595
30 HG3 LYS 3 HG1 LYS 3 -0.024 -6.120 10.504
31 HD2 LYS 3 HD2 LYS 3 1.667 -5.265 11.903
32 HD3 LYS 3 HD1 LYS 3 2.400 -6.692 11.175
33 HE2 LYS 3 HE2 LYS 3 2.834 -3.840 10.233
34 HE3 LYS 3 HE1 LYS 3 3.927 -4.726 11.288
35 HZ1 LYS 3 HZ1 LYS 3 4.263 -6.333 9.472
36 HZ2 LYS 3 HZ2 LYS 3 4.713 -4.763 9.038
37 HZ3 LYS 3 HZ3 LYS 3 3.263 -5.400 8.472
38 H ILE 4 HN ILE 4 -0.591 -6.769 5.409
39 HA ILE 4 HA ILE 4 0.098 -9.546 4.694
40 HB ILE 4 HB ILE 4 -1.502 -7.431 3.221
41 HG12 ILE 4 HG12 ILE 4 -2.380 -9.889 4.786
42 HG13 ILE 4 HG11 ILE 4 -2.812 -8.205 5.079
43 HG21 ILE 4 HG21 ILE 4 -1.146 -10.317 2.343
44 HG22 ILE 4 HG22 ILE 4 -0.373 -8.917 1.598
45 HG23 ILE 4 HG23 ILE 4 -2.127 -9.074 1.544
46 HD11 ILE 4 HD11 ILE 4 -3.728 -10.002 2.876
47 HD12 ILE 4 HD12 ILE 4 -3.978 -8.254 2.842
48 HD13 ILE 4 HD13 ILE 4 -4.689 -9.230 4.139
49 HA PRO 5 HA PRO 5 3.828 -7.895 2.659
50 HB2 PRO 5 HB2 PRO 5 3.544 -10.302 0.849
51 HB3 PRO 5 HB1 PRO 5 4.909 -9.825 1.886
52 HG2 PRO 5 HG2 PRO 5 3.360 -11.889 2.568
53 HG3 PRO 5 HG1 PRO 5 3.966 -10.762 3.807
54 HD2 PRO 5 HD2 PRO 5 1.228 -10.844 2.518
55 HD3 PRO 5 HD1 PRO 5 1.640 -10.650 4.232
56 H LEU 6 HN LEU 6 4.005 -6.454 0.960
57 HA LEU 6 HA LEU 6 1.880 -5.354 -0.333
58 HB2 LEU 6 HB2 LEU 6 3.989 -4.187 -0.142
59 HB3 LEU 6 HB1 LEU 6 4.803 -5.376 -1.139
60 HG LEU 6 HG LEU 6 3.538 -4.587 -3.127
61 HD11 LEU 6 HD11 LEU 6 2.396 -2.448 -1.310
62 HD12 LEU 6 HD12 LEU 6 1.501 -3.767 -2.072
63 HD13 LEU 6 HD13 LEU 6 2.238 -2.516 -3.067
64 HD21 LEU 6 HD21 LEU 6 5.747 -3.632 -2.663
65 HD22 LEU 6 HD22 LEU 6 5.010 -2.356 -1.693
66 HD23 LEU 6 HD23 LEU 6 4.694 -2.446 -3.428
67 H SER 7 HN SER 7 4.176 -7.637 -1.748
68 HA SER 7 HA SER 7 3.133 -7.795 -4.345
69 HB2 SER 7 HB2 SER 7 4.525 -9.916 -4.444
70 HB3 SER 7 HB1 SER 7 5.392 -8.499 -3.848
71 HG SER 7 HG SER 7 5.856 -10.100 -2.424
72 H LYS 8 HN LYS 8 2.505 -9.800 -1.465
73 HA LYS 8 HA LYS 8 0.803 -11.694 -2.798
74 HB2 LYS 8 HB2 LYS 8 1.612 -11.201 0.062
75 HB3 LYS 8 HB1 LYS 8 0.188 -12.191 -0.226
76 HG2 LYS 8 HG2 LYS 8 2.159 -13.594 0.058
77 HG3 LYS 8 HG1 LYS 8 1.516 -13.764 -1.577
78 HD2 LYS 8 HD2 LYS 8 3.278 -12.089 -2.334
79 HD3 LYS 8 HD1 LYS 8 3.976 -12.199 -0.713
80 HE2 LYS 8 HE2 LYS 8 4.376 -14.608 -1.033
81 HE3 LYS 8 HE1 LYS 8 3.609 -14.542 -2.623
82 HZ1 LYS 8 HZ1 LYS 8 6.107 -13.140 -1.831
83 HZ2 LYS 8 HZ2 LYS 8 5.365 -13.021 -3.344
84 HZ3 LYS 8 HZ3 LYS 8 6.001 -14.500 -2.827
85 H TYR 9 HN TYR 9 0.230 -8.670 -1.109
86 HA TYR 9 HA TYR 9 -2.615 -8.834 -1.056
87 HB2 TYR 9 HB2 TYR 9 -1.459 -7.183 0.343
88 HB3 TYR 9 HB1 TYR 9 -0.780 -6.390 -1.056
89 HD1 TYR 9 HD1 TYR 9 -3.875 -7.016 0.832
90 HD2 TYR 9 HD2 TYR 9 -2.142 -4.781 -2.371
91 HE1 TYR 9 HE1 TYR 9 -5.889 -5.650 0.693
92 HE2 TYR 9 HE2 TYR 9 -4.170 -3.398 -2.503
93 HH TYR 9 HH TYR 9 -6.645 -3.487 -0.144
94 H LEU 10 HN LEU 10 -0.231 -7.685 -3.396
95 HA LEU 10 HA LEU 10 -2.074 -6.623 -5.284
96 HB2 LEU 10 HB2 LEU 10 0.836 -7.422 -5.595
97 HB3 LEU 10 HB1 LEU 10 -0.094 -6.574 -6.825
98 HG LEU 10 HG LEU 10 0.571 -5.492 -4.055
99 HD11 LEU 10 HD11 LEU 10 2.024 -3.891 -5.225
100 HD12 LEU 10 HD12 LEU 10 1.690 -4.697 -6.760
101 HD13 LEU 10 HD13 LEU 10 2.546 -5.556 -5.476
102 HD21 LEU 10 HD21 LEU 10 -0.932 -4.163 -6.332
103 HD22 LEU 10 HD22 LEU 10 -0.409 -3.362 -4.847
104 HD23 LEU 10 HD23 LEU 10 -1.599 -4.657 -4.773
105 H GLU 11 HN GLU 11 -0.795 -9.848 -4.747
106 HA GLU 11 HA GLU 11 -1.591 -10.864 -7.335
107 HB2 GLU 11 HB2 GLU 11 -0.693 -12.317 -4.806
108 HB3 GLU 11 HB1 GLU 11 -1.054 -13.122 -6.331
109 HG2 GLU 11 HG2 GLU 11 1.167 -11.115 -5.830
110 HG3 GLU 11 HG1 GLU 11 1.350 -12.847 -6.069
111 H GLU 12 HN GLU 12 -2.880 -11.072 -4.007
112 HA GLU 12 HA GLU 12 -5.020 -12.872 -4.944
113 HB2 GLU 12 HB2 GLU 12 -3.558 -13.641 -3.098
114 HB3 GLU 12 HB1 GLU 12 -4.068 -12.275 -2.110
115 HG2 GLU 12 HG2 GLU 12 -6.398 -13.137 -2.150
116 HG3 GLU 12 HG1 GLU 12 -5.867 -14.515 -3.112
117 H HIS 13 HN HIS 13 -4.631 -9.773 -3.185
118 HA HIS 13 HA HIS 13 -7.495 -9.777 -2.470
119 HB2 HIS 13 HB2 HIS 13 -5.136 -8.160 -1.465
120 HB3 HIS 13 HB1 HIS 13 -6.796 -7.805 -0.999
121 HD1 HIS 13 HD1 HIS 13 -7.421 -8.806 1.153
122 HD2 HIS 13 HD2 HIS 13 -4.493 -11.046 -0.769
123 HE1 HIS 13 HE1 HIS 13 -6.819 -10.642 2.745
124 HE2 HIS 13 HE2 HIS 13 -5.287 -12.152 1.440
125 H GLY 14 HN GLY 14 -5.127 -7.582 -4.004
126 HA2 GLY 14 HA2 GLY 14 -7.244 -6.190 -5.463
127 HA3 GLY 14 HA1 GLY 14 -6.349 -5.238 -4.277
128 H THR 15 HN THR 15 -6.311 -4.591 -7.005
129 HA THR 15 HA THR 15 -3.752 -5.499 -8.116
130 HB THR 15 HB THR 15 -4.409 -4.016 -10.074
131 HG1 THR 15 HG1 THR 15 -6.966 -3.831 -8.851
132 HG21 THR 15 HG21 THR 15 -6.509 -6.063 -9.271
133 HG22 THR 15 HG22 THR 15 -4.987 -6.424 -10.087
134 HG23 THR 15 HG23 THR 15 -6.220 -5.468 -10.908
135 H GLN 16 HN GLN 16 -2.408 -3.633 -9.134
136 HA GLN 16 HA GLN 16 -1.515 -1.878 -7.057
137 HB2 GLN 16 HB2 GLN 16 -0.744 -1.786 -10.014
138 HB3 GLN 16 HB1 GLN 16 0.082 -0.948 -8.712
139 HG2 GLN 16 HG2 GLN 16 1.441 -2.798 -9.223
140 HG3 GLN 16 HG1 GLN 16 0.610 -3.239 -7.732
141 HE21 GLN 16 HE21 GLN 16 -0.943 -4.917 -7.809
142 HE22 GLN 16 HE22 GLN 16 -1.069 -5.993 -9.150
143 H SER 17 HN SER 17 -3.573 -1.608 -9.866
144 HA SER 17 HA SER 17 -4.033 1.179 -9.938
145 HB2 SER 17 HB2 SER 17 -5.963 -1.055 -10.704
146 HB3 SER 17 HB1 SER 17 -5.996 0.611 -11.291
147 HG SER 17 HG SER 17 -4.061 0.228 -12.382
148 H ALA 18 HN ALA 18 -5.770 -1.489 -8.335
149 HA ALA 18 HA ALA 18 -7.836 -0.006 -7.103
150 HB1 ALA 18 HB1 ALA 18 -7.899 -2.467 -7.376
151 HB2 ALA 18 HB2 ALA 18 -8.190 -1.991 -5.702
152 HB3 ALA 18 HB3 ALA 18 -6.612 -2.630 -6.173
153 H LEU 19 HN LEU 19 -4.626 -0.933 -6.061
154 HA LEU 19 HA LEU 19 -4.927 -0.191 -3.328
155 HB2 LEU 19 HB2 LEU 19 -3.330 -1.916 -3.953
156 HB3 LEU 19 HB1 LEU 19 -2.458 -0.799 -4.992
157 HG LEU 19 HG LEU 19 -1.708 0.486 -3.016
158 HD11 LEU 19 HD11 LEU 19 -3.577 0.107 -1.490
159 HD12 LEU 19 HD12 LEU 19 -2.052 -0.320 -0.727
160 HD13 LEU 19 HD13 LEU 19 -3.126 -1.593 -1.314
161 HD21 LEU 19 HD21 LEU 19 -0.120 -1.153 -2.122
162 HD22 LEU 19 HD22 LEU 19 -0.296 -1.338 -3.863
163 HD23 LEU 19 HD23 LEU 19 -1.089 -2.479 -2.774
164 H ALA 20 HN ALA 20 -3.324 1.278 -6.140
165 HA ALA 20 HA ALA 20 -2.378 3.656 -4.952
166 HB1 ALA 20 HB1 ALA 20 -1.609 2.844 -7.145
167 HB2 ALA 20 HB2 ALA 20 -2.187 4.505 -7.257
168 HB3 ALA 20 HB3 ALA 20 -3.195 3.178 -7.847
169 H ALA 21 HN ALA 21 -5.484 2.863 -6.498
170 HA ALA 21 HA ALA 21 -6.668 5.430 -6.422
171 HB1 ALA 21 HB1 ALA 21 -8.805 4.249 -6.755
172 HB2 ALA 21 HB2 ALA 21 -8.022 2.711 -6.364
173 HB3 ALA 21 HB3 ALA 21 -7.542 3.602 -7.807
174 H ALA 22 HN ALA 22 -6.560 2.763 -4.105
175 HA ALA 22 HA ALA 22 -8.338 3.777 -2.144
176 HB1 ALA 22 HB1 ALA 22 -6.019 1.849 -1.786
177 HB2 ALA 22 HB2 ALA 22 -7.671 1.413 -2.228
178 HB3 ALA 22 HB3 ALA 22 -7.335 2.106 -0.639
179 H LEU 23 HN LEU 23 -4.814 3.995 -2.550
180 HA LEU 23 HA LEU 23 -4.342 5.545 -0.162
181 HB2 LEU 23 HB2 LEU 23 -2.467 5.016 -2.503
182 HB3 LEU 23 HB1 LEU 23 -2.005 5.621 -0.918
183 HG LEU 23 HG LEU 23 -3.043 2.828 -1.542
184 HD11 LEU 23 HD11 LEU 23 -0.745 3.170 -2.311
185 HD12 LEU 23 HD12 LEU 23 -0.786 2.058 -0.945
186 HD13 LEU 23 HD13 LEU 23 -0.272 3.729 -0.704
187 HD21 LEU 23 HD21 LEU 23 -3.845 3.498 0.655
188 HD22 LEU 23 HD22 LEU 23 -2.219 3.991 1.133
189 HD23 LEU 23 HD23 LEU 23 -2.572 2.289 0.832
190 H GLY 24 HN GLY 24 -5.409 6.306 -3.311
191 HA2 GLY 24 HA2 GLY 24 -5.970 8.320 -4.298
192 HA3 GLY 24 HA1 GLY 24 -5.336 9.157 -2.885
193 H VAL 25 HN VAL 25 -3.212 6.897 -4.334
194 HA VAL 25 HA VAL 25 -1.486 9.041 -5.408
195 HB VAL 25 HB VAL 25 0.417 7.609 -4.940
196 HG11 VAL 25 HG11 VAL 25 -1.453 7.469 -2.556
197 HG12 VAL 25 HG12 VAL 25 -0.456 8.860 -2.997
198 HG13 VAL 25 HG13 VAL 25 0.307 7.348 -2.505
199 HG21 VAL 25 HG21 VAL 25 -1.545 5.407 -4.161
200 HG22 VAL 25 HG22 VAL 25 0.209 5.316 -3.990
201 HG23 VAL 25 HG23 VAL 25 -0.512 5.420 -5.594
202 H ASN 26 HN ASN 26 0.066 8.072 -7.171
203 HA ASN 26 HA ASN 26 -1.456 6.611 -9.229
204 HB2 ASN 26 HB2 ASN 26 1.316 7.902 -9.289
205 HB3 ASN 26 HB1 ASN 26 0.532 7.137 -10.674
206 HD21 ASN 26 HD21 ASN 26 1.404 9.956 -10.179
207 HD22 ASN 26 HD22 ASN 26 0.004 10.913 -10.495
208 H GLN 27 HN GLN 27 -0.527 4.699 -10.237
209 HA GLN 27 HA GLN 27 0.407 2.665 -8.495
210 HB2 GLN 27 HB2 GLN 27 0.626 2.720 -11.547
211 HB3 GLN 27 HB1 GLN 27 0.724 1.286 -10.522
212 HG2 GLN 27 HG2 GLN 27 -1.638 1.605 -9.859
213 HG3 GLN 27 HG1 GLN 27 -1.730 3.031 -10.899
214 HE21 GLN 27 HE21 GLN 27 -1.627 2.745 -13.183
215 HE22 GLN 27 HE22 GLN 27 -1.946 1.211 -13.910
216 H SER 28 HN SER 28 2.067 5.048 -10.345
217 HA SER 28 HA SER 28 4.636 4.196 -10.667
218 HB2 SER 28 HB2 SER 28 3.800 6.947 -9.630
219 HB3 SER 28 HB1 SER 28 5.268 6.563 -10.539
220 HG SER 28 HG SER 28 3.726 5.789 -12.229
221 H ALA 29 HN ALA 29 3.261 5.650 -7.730
222 HA ALA 29 HA ALA 29 5.406 5.615 -5.950
223 HB1 ALA 29 HB1 ALA 29 2.462 5.159 -5.359
224 HB2 ALA 29 HB2 ALA 29 3.255 6.723 -5.554
225 HB3 ALA 29 HB3 ALA 29 3.687 5.678 -4.207
226 H ILE 30 HN ILE 30 2.872 3.073 -6.308
227 HA ILE 30 HA ILE 30 3.899 1.216 -4.489
228 HB ILE 30 HB ILE 30 2.191 0.807 -6.985
229 HG12 ILE 30 HG12 ILE 30 0.435 0.144 -5.230
230 HG13 ILE 30 HG11 ILE 30 1.545 0.719 -3.995
231 HG21 ILE 30 HG21 ILE 30 2.972 -1.376 -5.024
232 HG22 ILE 30 HG22 ILE 30 3.435 -1.274 -6.724
233 HG23 ILE 30 HG23 ILE 30 1.746 -1.519 -6.289
234 HD11 ILE 30 HD11 ILE 30 1.408 2.962 -4.963
235 HD12 ILE 30 HD12 ILE 30 -0.170 2.330 -4.481
236 HD13 ILE 30 HD13 ILE 30 0.290 2.349 -6.185
237 H SER 31 HN SER 31 4.552 1.581 -7.966
238 HA SER 31 HA SER 31 6.256 -0.705 -8.180
239 HB2 SER 31 HB2 SER 31 5.782 1.606 -10.102
240 HB3 SER 31 HB1 SER 31 6.591 0.084 -10.511
241 HG SER 31 HG SER 31 3.930 0.632 -10.273
242 H GLN 32 HN GLN 32 6.867 2.654 -7.378
243 HA GLN 32 HA GLN 32 9.708 2.611 -7.879
244 HB2 GLN 32 HB2 GLN 32 8.032 4.432 -6.092
245 HB3 GLN 32 HB1 GLN 32 9.766 4.628 -6.321
246 HG2 GLN 32 HG2 GLN 32 7.728 4.804 -8.558
247 HG3 GLN 32 HG1 GLN 32 8.345 6.186 -7.663
248 HE21 GLN 32 HE21 GLN 32 9.158 7.127 -9.560
249 HE22 GLN 32 HE22 GLN 32 10.560 6.524 -10.366
250 H MET 33 HN MET 33 7.592 1.977 -5.150
251 HA MET 33 HA MET 33 9.585 1.508 -3.159
252 HB2 MET 33 HB2 MET 33 6.697 0.618 -3.235
253 HB3 MET 33 HB1 MET 33 7.732 0.682 -1.816
254 HG2 MET 33 HG2 MET 33 7.816 3.315 -2.796
255 HG3 MET 33 HG1 MET 33 6.159 2.805 -3.071
256 HE1 MET 33 HE1 MET 33 6.090 0.569 -0.720
257 HE2 MET 33 HE2 MET 33 4.708 1.594 -1.135
258 HE3 MET 33 HE3 MET 33 5.247 1.479 0.540
259 H VAL 34 HN VAL 34 7.791 -0.538 -5.399
260 HA VAL 34 HA VAL 34 8.755 -3.072 -4.578
261 HB VAL 34 HB VAL 34 7.677 -2.088 -7.271
262 HG11 VAL 34 HG11 VAL 34 8.268 -4.974 -6.500
263 HG12 VAL 34 HG12 VAL 34 9.130 -4.021 -7.709
264 HG13 VAL 34 HG13 VAL 34 7.439 -4.438 -7.966
265 HG21 VAL 34 HG21 VAL 34 6.364 -3.816 -5.124
266 HG22 VAL 34 HG22 VAL 34 5.627 -3.305 -6.646
267 HG23 VAL 34 HG23 VAL 34 6.032 -2.108 -5.422
268 H ARG 35 HN ARG 35 9.842 -0.835 -7.170
269 HA ARG 35 HA ARG 35 12.078 -2.461 -7.957
270 HB2 ARG 35 HB2 ARG 35 11.272 0.356 -8.738
271 HB3 ARG 35 HB1 ARG 35 12.667 -0.473 -9.423
272 HG2 ARG 35 HG2 ARG 35 11.154 -2.237 -10.318
273 HG3 ARG 35 HG1 ARG 35 9.771 -1.346 -9.666
274 HD2 ARG 35 HD2 ARG 35 11.703 -0.393 -11.812
275 HD3 ARG 35 HD1 ARG 35 10.016 -0.855 -12.043
276 HE ARG 35 HE ARG 35 10.926 1.530 -10.533
277 HH11 ARG 35 HH11 ARG 35 8.505 -0.020 -12.561
278 HH12 ARG 35 HH12 ARG 35 7.511 1.398 -12.644
279 HH21 ARG 35 HH21 ARG 35 8.140 3.317 -11.572
280 HH22 ARG 35 HH22 ARG 35 9.619 3.368 -10.668
281 H ALA 36 HN ALA 36 11.681 -0.203 -5.435
282 HA ALA 36 HA ALA 36 14.386 0.691 -5.154
283 HB1 ALA 36 HB1 ALA 36 12.507 1.804 -4.009
284 HB2 ALA 36 HB2 ALA 36 13.726 1.279 -2.846
285 HB3 ALA 36 HB3 ALA 36 12.231 0.357 -3.035
286 H GLY 37 HN GLY 37 12.868 -2.338 -4.680
287 HA2 GLY 37 HA2 GLY 37 13.695 -4.403 -4.045
288 HA3 GLY 37 HA1 GLY 37 15.231 -3.638 -3.641
289 H ARG 38 HN ARG 38 12.559 -2.052 -2.300
290 HA ARG 38 HA ARG 38 13.234 -2.932 0.399
291 HB2 ARG 38 HB2 ARG 38 13.174 -0.511 -0.091
292 HB3 ARG 38 HB1 ARG 38 11.509 -0.640 -0.632
293 HG2 ARG 38 HG2 ARG 38 11.480 0.346 1.540
294 HG3 ARG 38 HG1 ARG 38 10.862 -1.294 1.712
295 HD2 ARG 38 HD2 ARG 38 13.704 -0.444 2.380
296 HD3 ARG 38 HD1 ARG 38 12.396 -0.568 3.556
297 HE ARG 38 HE ARG 38 13.830 -2.764 2.255
298 HH11 ARG 38 HH11 ARG 38 11.089 -3.432 5.100
299 HH12 ARG 38 HH12 ARG 38 11.237 -1.843 4.429
300 HH21 ARG 38 HH21 ARG 38 12.390 -5.126 4.371
301 HH22 ARG 38 HH22 ARG 38 13.562 -4.858 3.124
302 H CYS 39 HN CYS 39 12.091 -4.588 1.199
303 HA CYS 39 HA CYS 39 9.616 -5.546 0.222
304 HB2 CYS 39 HB2 CYS 39 11.148 -7.038 1.384
305 HB3 CYS 39 HB1 CYS 39 11.041 -6.089 2.862
306 HG CYS 39 HG CYS 39 8.620 -6.898 3.635
307 H ILE 40 HN ILE 40 7.741 -4.559 0.407
308 HA ILE 40 HA ILE 40 7.122 -2.874 2.778
309 HB ILE 40 HB ILE 40 5.730 -2.834 0.049
310 HG12 ILE 40 HG12 ILE 40 8.119 -2.145 -0.177
311 HG13 ILE 40 HG11 ILE 40 6.993 -0.852 -0.548
312 HG21 ILE 40 HG21 ILE 40 4.775 -0.703 0.769
313 HG22 ILE 40 HG22 ILE 40 5.588 -0.839 2.330
314 HG23 ILE 40 HG23 ILE 40 4.334 -1.997 1.879
315 HD11 ILE 40 HD11 ILE 40 8.532 -1.137 2.030
316 HD12 ILE 40 HD12 ILE 40 7.443 0.188 1.602
317 HD13 ILE 40 HD13 ILE 40 8.932 -0.061 0.693
318 H ASP 41 HN ASP 41 5.049 -3.144 3.782
319 HA ASP 41 HA ASP 41 3.337 -5.344 2.817
320 HB2 ASP 41 HB2 ASP 41 2.809 -6.044 5.062
321 HB3 ASP 41 HB1 ASP 41 4.549 -6.102 4.859
322 H ILE 42 HN ILE 42 1.139 -4.989 2.927
323 HA ILE 42 HA ILE 42 0.264 -2.217 3.233
324 HB ILE 42 HB ILE 42 -1.109 -4.634 1.959
325 HG12 ILE 42 HG12 ILE 42 0.795 -3.803 0.642
326 HG13 ILE 42 HG11 ILE 42 -0.708 -3.404 -0.178
327 HG21 ILE 42 HG21 ILE 42 -2.080 -1.748 2.048
328 HG22 ILE 42 HG22 ILE 42 -2.820 -3.119 2.877
329 HG23 ILE 42 HG23 ILE 42 -2.818 -3.054 1.115
330 HD11 ILE 42 HD11 ILE 42 1.004 -1.492 1.432
331 HD12 ILE 42 HD12 ILE 42 -0.522 -1.082 0.648
332 HD13 ILE 42 HD13 ILE 42 0.868 -1.555 -0.326
333 H GLU 43 HN GLU 43 -1.160 -1.544 4.696
334 HA GLU 43 HA GLU 43 -1.686 -3.242 7.021
335 HB2 GLU 43 HB2 GLU 43 -2.111 -0.250 6.582
336 HB3 GLU 43 HB1 GLU 43 -2.236 -1.098 8.122
337 HG2 GLU 43 HG2 GLU 43 0.115 -1.519 8.203
338 HG3 GLU 43 HG1 GLU 43 0.323 -1.076 6.511
339 H LEU 44 HN LEU 44 -3.455 -4.493 6.672
340 HA LEU 44 HA LEU 44 -5.931 -3.495 5.495
341 HB2 LEU 44 HB2 LEU 44 -4.893 -6.155 6.429
342 HB3 LEU 44 HB1 LEU 44 -6.626 -5.943 6.390
343 HG LEU 44 HG LEU 44 -5.778 -7.078 4.387
344 HD11 LEU 44 HD11 LEU 44 -7.021 -4.374 3.815
345 HD12 LEU 44 HD12 LEU 44 -7.871 -5.869 4.212
346 HD13 LEU 44 HD13 LEU 44 -6.981 -5.742 2.697
347 HD21 LEU 44 HD21 LEU 44 -4.340 -4.494 3.689
348 HD22 LEU 44 HD22 LEU 44 -4.433 -5.959 2.702
349 HD23 LEU 44 HD23 LEU 44 -3.563 -5.985 4.231
350 H TYR 45 HN TYR 45 -7.587 -2.726 6.615
351 HA TYR 45 HA TYR 45 -7.754 -2.840 9.531
352 HB2 TYR 45 HB2 TYR 45 -9.276 -1.335 7.373
353 HB3 TYR 45 HB1 TYR 45 -9.799 -1.330 9.052
354 HD1 TYR 45 HD1 TYR 45 -8.589 -0.030 10.742
355 HD2 TYR 45 HD2 TYR 45 -7.146 -0.174 6.715
356 HE1 TYR 45 HE1 TYR 45 -7.072 1.839 11.215
357 HE2 TYR 45 HE2 TYR 45 -5.629 1.705 7.200
358 HH TYR 45 HH TYR 45 -5.437 3.558 8.784
359 H THR 46 HN THR 46 -10.028 -3.338 10.435
360 HA THR 46 HA THR 46 -10.523 -6.070 9.782
361 HB THR 46 HB THR 46 -10.706 -5.169 12.118
362 HG1 THR 46 HG1 THR 46 -13.184 -6.350 11.401
363 HG21 THR 46 HG21 THR 46 -12.833 -4.129 12.841
364 HG22 THR 46 HG22 THR 46 -13.346 -4.015 11.156
365 HG23 THR 46 HG23 THR 46 -11.949 -3.096 11.719
366 H ASP 47 HN ASP 47 -12.073 -3.098 8.816
367 HA ASP 47 HA ASP 47 -14.468 -4.349 7.745
368 HB2 ASP 47 HB2 ASP 47 -15.056 -2.113 6.954
369 HB3 ASP 47 HB1 ASP 47 -14.470 -1.997 8.608
370 H GLY 48 HN GLY 48 -11.251 -3.773 6.673
371 HA2 GLY 48 HA2 GLY 48 -10.476 -5.100 4.770
372 HA3 GLY 48 HA1 GLY 48 -11.927 -4.618 3.907
373 H ARG 49 HN ARG 49 -11.073 -1.861 5.446
374 HA ARG 49 HA ARG 49 -10.101 -0.479 3.189
375 HB2 ARG 49 HB2 ARG 49 -11.248 0.707 4.949
376 HB3 ARG 49 HB1 ARG 49 -10.076 0.198 6.158
377 HG2 ARG 49 HG2 ARG 49 -8.352 1.626 5.115
378 HG3 ARG 49 HG1 ARG 49 -9.494 2.101 3.856
379 HD2 ARG 49 HD2 ARG 49 -9.883 2.654 6.819
380 HD3 ARG 49 HD1 ARG 49 -9.209 3.811 5.668
381 HE ARG 49 HE ARG 49 -11.986 2.852 5.790
382 HH11 ARG 49 HH11 ARG 49 -9.650 5.026 4.292
383 HH12 ARG 49 HH12 ARG 49 -10.870 5.990 3.531
384 HH21 ARG 49 HH21 ARG 49 -13.081 5.484 3.799
385 HH22 ARG 49 HH22 ARG 49 -13.553 4.125 4.769
386 H VAL 50 HN VAL 50 -8.024 0.293 2.612
387 HA VAL 50 HA VAL 50 -5.717 -0.742 4.162
388 HB VAL 50 HB VAL 50 -4.441 -0.973 2.034
389 HG11 VAL 50 HG11 VAL 50 -5.509 -2.931 3.052
390 HG12 VAL 50 HG12 VAL 50 -5.482 -3.064 1.295
391 HG13 VAL 50 HG13 VAL 50 -6.982 -2.633 2.122
392 HG21 VAL 50 HG21 VAL 50 -7.106 -0.495 0.623
393 HG22 VAL 50 HG22 VAL 50 -5.607 -1.026 -0.150
394 HG23 VAL 50 HG23 VAL 50 -5.702 0.577 0.579
395 H GLU 51 HN GLU 51 -4.256 0.734 4.766
396 HA GLU 51 HA GLU 51 -3.821 3.135 3.126
397 HB2 GLU 51 HB2 GLU 51 -5.384 3.846 4.980
398 HB3 GLU 51 HB1 GLU 51 -4.174 3.337 6.155
399 HG2 GLU 51 HG2 GLU 51 -2.593 5.017 5.276
400 HG3 GLU 51 HG1 GLU 51 -3.770 5.512 4.064
401 H CYS 52 HN CYS 52 -1.726 3.361 2.774
402 HA CYS 52 HA CYS 52 0.200 1.741 4.282
403 HB2 CYS 52 HB2 CYS 52 0.007 1.556 1.750
404 HB3 CYS 52 HB1 CYS 52 0.619 3.204 1.647
405 HG CYS 52 HG CYS 52 2.738 1.641 1.024
406 H ARG 53 HN ARG 53 0.999 2.874 5.985
407 HA ARG 53 HA ARG 53 1.609 5.719 5.920
408 HB2 ARG 53 HB2 ARG 53 2.122 3.505 7.936
409 HB3 ARG 53 HB1 ARG 53 2.860 5.089 8.139
410 HG2 ARG 53 HG2 ARG 53 0.832 4.913 9.479
411 HG3 ARG 53 HG1 ARG 53 0.657 6.143 8.233
412 HD2 ARG 53 HD2 ARG 53 -0.643 4.514 6.856
413 HD3 ARG 53 HD1 ARG 53 -0.531 3.349 8.181
414 HE ARG 53 HE ARG 53 -1.879 5.980 8.369
415 HH11 ARG 53 HH11 ARG 53 -1.797 2.550 9.139
416 HH12 ARG 53 HH12 ARG 53 -3.259 2.635 10.067
417 HH21 ARG 53 HH21 ARG 53 -3.745 6.061 9.587
418 HH22 ARG 53 HH22 ARG 53 -4.364 4.619 10.327
419 H GLU 54 HN GLU 54 3.129 2.835 4.968
420 HA GLU 54 HA GLU 54 5.829 3.774 4.833
421 HB2 GLU 54 HB2 GLU 54 4.969 1.339 4.847
422 HB3 GLU 54 HB1 GLU 54 4.618 1.567 3.140
423 HG2 GLU 54 HG2 GLU 54 6.752 0.465 3.410
424 HG3 GLU 54 HG1 GLU 54 6.992 2.065 2.714
425 H LEU 55 HN LEU 55 2.950 4.190 2.882
426 HA LEU 55 HA LEU 55 4.437 5.780 0.903
427 HB2 LEU 55 HB2 LEU 55 4.101 3.431 0.060
428 HB3 LEU 55 HB1 LEU 55 2.375 3.680 0.122
429 HG LEU 55 HG LEU 55 3.534 3.852 -2.185
430 HD11 LEU 55 HD11 LEU 55 1.793 6.196 -1.340
431 HD12 LEU 55 HD12 LEU 55 1.224 4.614 -1.874
432 HD13 LEU 55 HD13 LEU 55 2.082 5.659 -2.996
433 HD21 LEU 55 HD21 LEU 55 4.589 5.998 -2.771
434 HD22 LEU 55 HD22 LEU 55 5.477 5.186 -1.483
435 HD23 LEU 55 HD23 LEU 55 4.422 6.549 -1.103
436 H ARG 56 HN ARG 56 3.609 7.640 1.789
437 HA ARG 56 HA ARG 56 0.732 8.176 1.318
438 HB2 ARG 56 HB2 ARG 56 2.776 10.033 2.629
439 HB3 ARG 56 HB1 ARG 56 1.040 10.262 2.539
440 HG2 ARG 56 HG2 ARG 56 1.246 9.551 4.716
441 HG3 ARG 56 HG1 ARG 56 0.957 8.003 3.915
442 HD2 ARG 56 HD2 ARG 56 2.790 7.786 5.496
443 HD3 ARG 56 HD1 ARG 56 3.409 7.609 3.850
444 HE ARG 56 HE ARG 56 3.606 10.310 4.706
445 HH11 ARG 56 HH11 ARG 56 6.741 7.952 5.634
446 HH12 ARG 56 HH12 ARG 56 5.231 7.216 5.212
447 HH21 ARG 56 HH21 ARG 56 5.551 11.251 5.323
448 HH22 ARG 56 HH22 ARG 56 6.927 10.262 5.701
449 HA PRO 57 HA PRO 57 1.487 10.475 -2.529
450 HB2 PRO 57 HB2 PRO 57 0.045 12.827 -1.284
451 HB3 PRO 57 HB1 PRO 57 -0.254 11.999 -2.828
452 HG2 PRO 57 HG2 PRO 57 -1.864 11.581 -0.767
453 HG3 PRO 57 HG1 PRO 57 -1.398 10.237 -1.835
454 HD2 PRO 57 HD2 PRO 57 -0.377 10.898 0.919
455 HD3 PRO 57 HD1 PRO 57 -0.734 9.314 0.198
456 H ASP 58 HN ASP 58 2.890 11.496 0.385
457 HA ASP 58 HA ASP 58 3.982 14.016 -0.170
458 HB2 ASP 58 HB2 ASP 58 5.021 11.764 1.625
459 HB3 ASP 58 HB1 ASP 58 5.709 13.385 1.593
460 H VAL 59 HN VAL 59 5.026 10.775 -0.978
461 HA VAL 59 HA VAL 59 7.693 11.065 -1.682
462 HB VAL 59 HB VAL 59 5.511 9.271 -2.807
463 HG11 VAL 59 HG11 VAL 59 7.308 7.766 -3.682
464 HG12 VAL 59 HG12 VAL 59 8.514 8.992 -3.277
465 HG13 VAL 59 HG13 VAL 59 7.285 9.329 -4.496
466 HG21 VAL 59 HG21 VAL 59 6.507 7.538 -1.349
467 HG22 VAL 59 HG22 VAL 59 5.962 8.939 -0.427
468 HG23 VAL 59 HG23 VAL 59 7.684 8.714 -0.750
469 H PHE 60 HN PHE 60 4.805 11.741 -3.578
470 HA PHE 60 HA PHE 60 6.032 12.284 -6.091
471 HB2 PHE 60 HB2 PHE 60 3.360 13.120 -4.903
472 HB3 PHE 60 HB1 PHE 60 3.810 13.378 -6.587
473 HD1 PHE 60 HD1 PHE 60 3.706 11.564 -8.188
474 HD2 PHE 60 HD2 PHE 60 3.028 10.771 -4.036
475 HE1 PHE 60 HE1 PHE 60 2.860 9.329 -8.754
476 HE2 PHE 60 HE2 PHE 60 2.172 8.543 -4.620
477 HZ PHE 60 HZ PHE 60 2.090 7.820 -6.971
478 H GLY 61 HN GLY 61 7.272 14.005 -6.588
479 HA2 GLY 61 HA2 GLY 61 7.969 16.203 -6.815
480 HA3 GLY 61 HA1 GLY 61 6.641 16.711 -5.782
481 H ALA 62 HN ALA 62 8.515 14.219 -4.445
482 HA ALA 62 HA ALA 62 9.850 16.088 -2.586
483 HB1 ALA 62 HB1 ALA 62 8.907 13.212 -2.193
484 HB2 ALA 62 HB2 ALA 62 8.161 14.669 -1.538
485 HB3 ALA 62 HB3 ALA 62 9.761 14.179 -0.974
Start of MODEL 13
1 H1 MET 1 HT1 MET 1 -6.932 -5.103 13.720
2 H2 MET 1 HT2 MET 1 -8.064 -5.979 12.827
3 H3 MET 1 HT3 MET 1 -8.221 -4.305 12.974
4 HA MET 1 HA MET 1 -7.378 -4.983 10.797
5 HB2 MET 1 HB2 MET 1 -6.825 -2.766 11.772
6 HB3 MET 1 HB1 MET 1 -5.406 -3.445 12.557
7 HG2 MET 1 HG2 MET 1 -5.778 -3.361 9.552
8 HG3 MET 1 HG1 MET 1 -4.970 -2.097 10.471
9 HE1 MET 1 HE1 MET 1 -1.839 -4.019 11.864
10 HE2 MET 1 HE2 MET 1 -3.392 -3.804 12.668
11 HE3 MET 1 HE3 MET 1 -2.662 -2.466 11.780
12 H LYS 2 HN LYS 2 -6.012 -6.285 9.624
13 HA LYS 2 HA LYS 2 -3.920 -7.854 11.014
14 HB2 LYS 2 HB2 LYS 2 -5.782 -8.745 8.755
15 HB3 LYS 2 HB1 LYS 2 -4.435 -9.697 9.378
16 HG2 LYS 2 HG2 LYS 2 -5.572 -9.717 11.626
17 HG3 LYS 2 HG1 LYS 2 -6.940 -8.888 10.880
18 HD2 LYS 2 HD2 LYS 2 -7.371 -11.308 11.043
19 HD3 LYS 2 HD1 LYS 2 -7.298 -10.796 9.355
20 HE2 LYS 2 HE2 LYS 2 -4.976 -11.644 9.200
21 HE3 LYS 2 HE1 LYS 2 -5.048 -12.161 10.886
22 HZ1 LYS 2 HZ1 LYS 2 -5.446 -13.974 9.318
23 HZ2 LYS 2 HZ2 LYS 2 -6.810 -13.176 8.717
24 HZ3 LYS 2 HZ3 LYS 2 -6.782 -13.714 10.320
25 H LYS 3 HN LYS 3 -1.919 -7.487 10.205
26 HA LYS 3 HA LYS 3 -1.519 -5.843 7.860
27 HB2 LYS 3 HB2 LYS 3 0.657 -7.223 9.485
28 HB3 LYS 3 HB1 LYS 3 0.805 -5.774 8.495
29 HG2 LYS 3 HG2 LYS 3 -0.677 -4.578 10.121
30 HG3 LYS 3 HG1 LYS 3 -0.683 -6.028 11.122
31 HD2 LYS 3 HD2 LYS 3 1.659 -4.200 10.504
32 HD3 LYS 3 HD1 LYS 3 0.929 -4.523 12.075
33 HE2 LYS 3 HE2 LYS 3 2.585 -6.442 10.406
34 HE3 LYS 3 HE1 LYS 3 3.064 -5.664 11.913
35 HZ1 LYS 3 HZ1 LYS 3 1.345 -6.891 13.056
36 HZ2 LYS 3 HZ2 LYS 3 2.396 -7.945 12.255
37 HZ3 LYS 3 HZ3 LYS 3 0.867 -7.630 11.611
38 H ILE 4 HN ILE 4 -0.566 -6.462 5.938
39 HA ILE 4 HA ILE 4 -0.287 -9.356 5.350
40 HB ILE 4 HB ILE 4 -1.665 -7.292 3.571
41 HG12 ILE 4 HG12 ILE 4 -2.887 -9.505 5.271
42 HG13 ILE 4 HG11 ILE 4 -3.145 -7.770 5.434
43 HG21 ILE 4 HG21 ILE 4 -0.564 -9.062 2.237
44 HG22 ILE 4 HG22 ILE 4 -2.317 -9.112 2.073
45 HG23 ILE 4 HG23 ILE 4 -1.490 -10.294 3.100
46 HD11 ILE 4 HD11 ILE 4 -4.040 -9.516 3.168
47 HD12 ILE 4 HD12 ILE 4 -4.247 -7.763 3.235
48 HD13 ILE 4 HD13 ILE 4 -5.041 -8.796 4.425
49 HA PRO 5 HA PRO 5 3.448 -7.948 3.063
50 HB2 PRO 5 HB2 PRO 5 3.091 -10.510 1.516
51 HB3 PRO 5 HB1 PRO 5 4.479 -9.970 2.489
52 HG2 PRO 5 HG2 PRO 5 2.912 -11.945 3.359
53 HG3 PRO 5 HG1 PRO 5 3.555 -10.730 4.496
54 HD2 PRO 5 HD2 PRO 5 0.816 -10.826 3.205
55 HD3 PRO 5 HD1 PRO 5 1.215 -10.574 4.913
56 H LEU 6 HN LEU 6 3.447 -6.595 1.299
57 HA LEU 6 HA LEU 6 1.233 -5.740 -0.052
58 HB2 LEU 6 HB2 LEU 6 3.331 -4.482 -0.021
59 HB3 LEU 6 HB1 LEU 6 4.108 -5.701 -1.008
60 HG LEU 6 HG LEU 6 2.481 -5.090 -2.871
61 HD11 LEU 6 HD11 LEU 6 1.406 -2.896 -2.804
62 HD12 LEU 6 HD12 LEU 6 1.882 -2.700 -1.116
63 HD13 LEU 6 HD13 LEU 6 0.753 -3.978 -1.577
64 HD21 LEU 6 HD21 LEU 6 4.829 -4.360 -2.883
65 HD22 LEU 6 HD22 LEU 6 4.384 -2.905 -1.990
66 HD23 LEU 6 HD23 LEU 6 3.767 -3.163 -3.623
67 H SER 7 HN SER 7 3.653 -7.998 -1.245
68 HA SER 7 HA SER 7 2.710 -8.340 -3.851
69 HB2 SER 7 HB2 SER 7 4.303 -10.333 -2.203
70 HB3 SER 7 HB1 SER 7 4.315 -10.145 -3.960
71 HG SER 7 HG SER 7 5.759 -8.648 -3.732
72 H LYS 8 HN LYS 8 2.019 -10.148 -0.872
73 HA LYS 8 HA LYS 8 0.296 -12.106 -2.146
74 HB2 LYS 8 HB2 LYS 8 1.191 -11.563 0.677
75 HB3 LYS 8 HB1 LYS 8 -0.275 -12.501 0.456
76 HG2 LYS 8 HG2 LYS 8 1.660 -13.945 0.798
77 HG3 LYS 8 HG1 LYS 8 0.946 -14.217 -0.783
78 HD2 LYS 8 HD2 LYS 8 3.282 -12.320 -0.590
79 HD3 LYS 8 HD1 LYS 8 3.604 -14.042 -0.418
80 HE2 LYS 8 HE2 LYS 8 2.529 -14.436 -2.640
81 HE3 LYS 8 HE1 LYS 8 2.293 -12.696 -2.813
82 HZ1 LYS 8 HZ1 LYS 8 4.261 -13.345 -3.999
83 HZ2 LYS 8 HZ2 LYS 8 4.897 -14.124 -2.640
84 HZ3 LYS 8 HZ3 LYS 8 4.741 -12.441 -2.648
85 H TYR 9 HN TYR 9 -0.125 -8.970 -0.712
86 HA TYR 9 HA TYR 9 -2.975 -9.080 -0.443
87 HB2 TYR 9 HB2 TYR 9 -1.685 -7.390 0.796
88 HB3 TYR 9 HB1 TYR 9 -1.090 -6.689 -0.701
89 HD1 TYR 9 HD1 TYR 9 -4.067 -7.102 1.466
90 HD2 TYR 9 HD2 TYR 9 -2.514 -5.194 -2.045
91 HE1 TYR 9 HE1 TYR 9 -6.044 -5.689 1.358
92 HE2 TYR 9 HE2 TYR 9 -4.514 -3.763 -2.136
93 HH TYR 9 HH TYR 9 -6.821 -3.789 -1.380
94 H LEU 10 HN LEU 10 -0.706 -8.059 -2.987
95 HA LEU 10 HA LEU 10 -2.571 -6.738 -4.628
96 HB2 LEU 10 HB2 LEU 10 0.152 -7.891 -5.306
97 HB3 LEU 10 HB1 LEU 10 -0.792 -6.892 -6.403
98 HG LEU 10 HG LEU 10 0.371 -6.023 -3.732
99 HD11 LEU 10 HD11 LEU 10 2.049 -6.194 -5.468
100 HD12 LEU 10 HD12 LEU 10 1.771 -4.509 -5.041
101 HD13 LEU 10 HD13 LEU 10 1.096 -5.160 -6.538
102 HD21 LEU 10 HD21 LEU 10 -1.356 -4.388 -5.624
103 HD22 LEU 10 HD22 LEU 10 -0.488 -3.752 -4.223
104 HD23 LEU 10 HD23 LEU 10 -1.786 -4.919 -3.996
105 H GLU 11 HN GLU 11 -1.268 -10.047 -4.787
106 HA GLU 11 HA GLU 11 -2.746 -10.780 -7.139
107 HB2 GLU 11 HB2 GLU 11 -1.422 -12.557 -5.041
108 HB3 GLU 11 HB1 GLU 11 -2.069 -13.115 -6.580
109 HG2 GLU 11 HG2 GLU 11 -0.413 -11.659 -7.760
110 HG3 GLU 11 HG1 GLU 11 0.276 -11.235 -6.192
111 H GLU 12 HN GLU 12 -3.210 -11.428 -3.631
112 HA GLU 12 HA GLU 12 -5.474 -13.176 -4.196
113 HB2 GLU 12 HB2 GLU 12 -3.535 -13.552 -2.469
114 HB3 GLU 12 HB1 GLU 12 -4.446 -12.489 -1.410
115 HG2 GLU 12 HG2 GLU 12 -5.461 -15.110 -2.568
116 HG3 GLU 12 HG1 GLU 12 -4.785 -14.909 -0.961
117 H HIS 13 HN HIS 13 -4.970 -10.154 -2.300
118 HA HIS 13 HA HIS 13 -7.751 -10.261 -1.375
119 HB2 HIS 13 HB2 HIS 13 -5.390 -8.537 -0.520
120 HB3 HIS 13 HB1 HIS 13 -7.001 -8.400 0.175
121 HD1 HIS 13 HD1 HIS 13 -7.651 -10.106 1.946
122 HD2 HIS 13 HD2 HIS 13 -3.999 -10.952 0.147
123 HE1 HIS 13 HE1 HIS 13 -6.611 -11.902 3.346
124 HE2 HIS 13 HE2 HIS 13 -4.541 -12.572 2.096
125 H GLY 14 HN GLY 14 -5.667 -8.081 -3.262
126 HA2 GLY 14 HA2 GLY 14 -7.791 -6.815 -4.639
127 HA3 GLY 14 HA1 GLY 14 -7.247 -5.781 -3.319
128 H THR 15 HN THR 15 -7.000 -5.038 -6.065
129 HA THR 15 HA THR 15 -4.380 -5.845 -7.075
130 HB THR 15 HB THR 15 -5.049 -4.618 -9.128
131 HG1 THR 15 HG1 THR 15 -7.337 -3.753 -9.023
132 HG21 THR 15 HG21 THR 15 -7.346 -6.279 -8.061
133 HG22 THR 15 HG22 THR 15 -5.920 -6.908 -8.888
134 HG23 THR 15 HG23 THR 15 -7.066 -5.883 -9.756
135 H GLN 16 HN GLN 16 -3.295 -3.862 -8.322
136 HA GLN 16 HA GLN 16 -2.234 -2.095 -6.337
137 HB2 GLN 16 HB2 GLN 16 -1.810 -2.018 -9.364
138 HB3 GLN 16 HB1 GLN 16 -0.879 -1.115 -8.180
139 HG2 GLN 16 HG2 GLN 16 0.505 -2.913 -8.775
140 HG3 GLN 16 HG1 GLN 16 -0.170 -3.378 -7.214
141 HE21 GLN 16 HE21 GLN 16 -1.671 -5.118 -7.152
142 HE22 GLN 16 HE22 GLN 16 -1.867 -6.214 -8.472
143 H SER 17 HN SER 17 -4.539 -1.837 -8.949
144 HA SER 17 HA SER 17 -5.037 0.967 -8.912
145 HB2 SER 17 HB2 SER 17 -6.958 -1.258 -9.726
146 HB3 SER 17 HB1 SER 17 -6.973 0.414 -10.287
147 HG SER 17 HG SER 17 -4.565 -0.626 -10.811
148 H ALA 18 HN ALA 18 -6.640 -1.841 -7.408
149 HA ALA 18 HA ALA 18 -8.729 -0.476 -6.059
150 HB1 ALA 18 HB1 ALA 18 -8.767 -2.910 -6.494
151 HB2 ALA 18 HB2 ALA 18 -9.022 -2.553 -4.785
152 HB3 ALA 18 HB3 ALA 18 -7.448 -3.132 -5.337
153 H LEU 19 HN LEU 19 -5.471 -1.392 -5.153
154 HA LEU 19 HA LEU 19 -5.604 -0.865 -2.383
155 HB2 LEU 19 HB2 LEU 19 -3.796 -2.244 -3.274
156 HB3 LEU 19 HB1 LEU 19 -3.230 -0.931 -4.293
157 HG LEU 19 HG LEU 19 -2.518 0.327 -2.267
158 HD11 LEU 19 HD11 LEU 19 -4.070 -0.551 -0.598
159 HD12 LEU 19 HD12 LEU 19 -2.406 -0.746 -0.061
160 HD13 LEU 19 HD13 LEU 19 -3.299 -2.140 -0.675
161 HD21 LEU 19 HD21 LEU 19 -0.899 -1.057 -3.465
162 HD22 LEU 19 HD22 LEU 19 -1.324 -2.458 -2.480
163 HD23 LEU 19 HD23 LEU 19 -0.549 -1.056 -1.739
164 H ALA 20 HN ALA 20 -4.281 1.023 -5.096
165 HA ALA 20 HA ALA 20 -3.731 3.457 -3.786
166 HB1 ALA 20 HB1 ALA 20 -2.863 2.870 -6.028
167 HB2 ALA 20 HB2 ALA 20 -3.668 4.437 -6.047
168 HB3 ALA 20 HB3 ALA 20 -4.486 3.017 -6.705
169 H ALA 21 HN ALA 21 -6.761 2.224 -5.206
170 HA ALA 21 HA ALA 21 -8.271 4.649 -5.072
171 HB1 ALA 21 HB1 ALA 21 -10.247 3.216 -5.419
172 HB2 ALA 21 HB2 ALA 21 -9.276 1.779 -5.085
173 HB3 ALA 21 HB3 ALA 21 -8.937 2.757 -6.511
174 H ALA 22 HN ALA 22 -7.658 2.021 -2.807
175 HA ALA 22 HA ALA 22 -9.508 2.888 -0.769
176 HB1 ALA 22 HB1 ALA 22 -7.180 0.948 -0.578
177 HB2 ALA 22 HB2 ALA 22 -8.849 0.525 -0.971
178 HB3 ALA 22 HB3 ALA 22 -8.453 1.161 0.628
179 H LEU 23 HN LEU 23 -6.128 3.450 -1.549
180 HA LEU 23 HA LEU 23 -5.512 4.845 0.927
181 HB2 LEU 23 HB2 LEU 23 -3.888 4.683 -1.646
182 HB3 LEU 23 HB1 LEU 23 -3.308 5.264 -0.092
183 HG LEU 23 HG LEU 23 -4.081 2.402 -0.765
184 HD11 LEU 23 HD11 LEU 23 -1.961 3.060 -1.779
185 HD12 LEU 23 HD12 LEU 23 -1.714 1.866 -0.508
186 HD13 LEU 23 HD13 LEU 23 -1.346 3.564 -0.202
187 HD21 LEU 23 HD21 LEU 23 -4.693 2.794 1.528
188 HD22 LEU 23 HD22 LEU 23 -3.125 3.532 1.873
189 HD23 LEU 23 HD23 LEU 23 -3.225 1.810 1.500
190 H GLY 24 HN GLY 24 -6.923 5.632 -2.117
191 HA2 GLY 24 HA2 GLY 24 -7.682 7.581 -3.072
192 HA3 GLY 24 HA1 GLY 24 -7.315 8.403 -1.560
193 H VAL 25 HN VAL 25 -5.055 6.635 -3.639
194 HA VAL 25 HA VAL 25 -3.524 9.109 -4.189
195 HB VAL 25 HB VAL 25 -1.429 7.968 -3.764
196 HG11 VAL 25 HG11 VAL 25 -3.316 7.379 -1.467
197 HG12 VAL 25 HG12 VAL 25 -2.562 8.943 -1.805
198 HG13 VAL 25 HG13 VAL 25 -1.567 7.561 -1.360
199 HG21 VAL 25 HG21 VAL 25 -1.275 5.612 -2.947
200 HG22 VAL 25 HG22 VAL 25 -1.936 5.695 -4.578
201 HG23 VAL 25 HG23 VAL 25 -3.010 5.413 -3.206
202 H ASN 26 HN ASN 26 -1.746 8.537 -5.836
203 HA ASN 26 HA ASN 26 -2.995 7.520 -8.263
204 HB2 ASN 26 HB2 ASN 26 -0.279 8.815 -7.757
205 HB3 ASN 26 HB1 ASN 26 -0.962 8.476 -9.346
206 HD21 ASN 26 HD21 ASN 26 -0.162 11.036 -8.033
207 HD22 ASN 26 HD22 ASN 26 -1.556 12.054 -8.132
208 H GLN 27 HN GLN 27 -2.098 5.828 -9.543
209 HA GLN 27 HA GLN 27 -0.930 3.603 -8.161
210 HB2 GLN 27 HB2 GLN 27 -1.409 4.065 -11.139
211 HB3 GLN 27 HB1 GLN 27 -0.832 2.545 -10.459
212 HG2 GLN 27 HG2 GLN 27 -2.929 2.324 -9.167
213 HG3 GLN 27 HG1 GLN 27 -3.507 3.846 -9.857
214 HE21 GLN 27 HE21 GLN 27 -4.041 3.907 -12.100
215 HE22 GLN 27 HE22 GLN 27 -4.352 2.460 -12.992
216 H SER 28 HN SER 28 0.461 6.312 -9.750
217 HA SER 28 HA SER 28 2.997 5.400 -10.515
218 HB2 SER 28 HB2 SER 28 3.715 7.784 -10.103
219 HB3 SER 28 HB1 SER 28 2.214 7.662 -11.027
220 HG SER 28 HG SER 28 2.231 9.198 -9.218
221 H ALA 29 HN ALA 29 1.803 6.482 -7.363
222 HA ALA 29 HA ALA 29 4.071 6.193 -5.705
223 HB1 ALA 29 HB1 ALA 29 1.141 5.706 -5.041
224 HB2 ALA 29 HB2 ALA 29 1.965 7.267 -5.014
225 HB3 ALA 29 HB3 ALA 29 2.441 6.003 -3.884
226 H ILE 30 HN ILE 30 1.449 3.839 -6.360
227 HA ILE 30 HA ILE 30 2.490 1.695 -4.852
228 HB ILE 30 HB ILE 30 0.694 1.365 -7.297
229 HG12 ILE 30 HG12 ILE 30 -0.276 3.107 -5.842
230 HG13 ILE 30 HG11 ILE 30 -1.257 1.650 -5.808
231 HG21 ILE 30 HG21 ILE 30 0.983 -0.354 -4.798
232 HG22 ILE 30 HG22 ILE 30 1.543 -0.765 -6.421
233 HG23 ILE 30 HG23 ILE 30 -0.184 -0.624 -6.095
234 HD11 ILE 30 HD11 ILE 30 -0.268 1.075 -3.618
235 HD12 ILE 30 HD12 ILE 30 -1.119 2.617 -3.610
236 HD13 ILE 30 HD13 ILE 30 0.643 2.586 -3.655
237 H SER 31 HN SER 31 3.028 2.659 -8.188
238 HA SER 31 HA SER 31 4.393 0.399 -9.212
239 HB2 SER 31 HB2 SER 31 3.571 2.058 -10.746
240 HB3 SER 31 HB1 SER 31 4.434 3.365 -9.937
241 HG SER 31 HG SER 31 5.989 1.285 -10.954
242 H GLN 32 HN GLN 32 5.621 3.356 -7.547
243 HA GLN 32 HA GLN 32 8.385 2.606 -7.737
244 HB2 GLN 32 HB2 GLN 32 6.995 4.625 -5.942
245 HB3 GLN 32 HB1 GLN 32 8.741 4.386 -5.958
246 HG2 GLN 32 HG2 GLN 32 8.639 4.918 -8.460
247 HG3 GLN 32 HG1 GLN 32 6.988 5.470 -8.166
248 HE21 GLN 32 HE21 GLN 32 9.316 6.998 -9.059
249 HE22 GLN 32 HE22 GLN 32 9.540 8.265 -7.908
250 H MET 33 HN MET 33 5.873 2.025 -5.388
251 HA MET 33 HA MET 33 7.432 0.999 -3.232
252 HB2 MET 33 HB2 MET 33 4.550 0.451 -4.030
253 HB3 MET 33 HB1 MET 33 5.254 0.104 -2.451
254 HG2 MET 33 HG2 MET 33 5.561 2.493 -2.019
255 HG3 MET 33 HG1 MET 33 5.041 2.893 -3.652
256 HE1 MET 33 HE1 MET 33 3.976 1.087 -0.357
257 HE2 MET 33 HE2 MET 33 3.379 0.006 -1.624
258 HE3 MET 33 HE3 MET 33 2.234 0.887 -0.611
259 H VAL 34 HN VAL 34 5.968 -0.416 -6.083
260 HA VAL 34 HA VAL 34 6.655 -3.168 -5.614
261 HB VAL 34 HB VAL 34 5.590 -1.574 -7.985
262 HG11 VAL 34 HG11 VAL 34 6.180 -4.555 -8.083
263 HG12 VAL 34 HG12 VAL 34 7.010 -3.290 -8.991
264 HG13 VAL 34 HG13 VAL 34 5.309 -3.614 -9.304
265 HG21 VAL 34 HG21 VAL 34 4.337 -3.803 -6.318
266 HG22 VAL 34 HG22 VAL 34 3.549 -2.925 -7.631
267 HG23 VAL 34 HG23 VAL 34 4.012 -2.075 -6.161
268 H ARG 35 HN ARG 35 8.080 -0.514 -7.531
269 HA ARG 35 HA ARG 35 10.184 -2.062 -8.714
270 HB2 ARG 35 HB2 ARG 35 9.713 0.926 -8.494
271 HB3 ARG 35 HB1 ARG 35 11.122 0.250 -9.303
272 HG2 ARG 35 HG2 ARG 35 9.670 -0.896 -10.930
273 HG3 ARG 35 HG1 ARG 35 8.239 -0.268 -10.106
274 HD2 ARG 35 HD2 ARG 35 8.942 2.043 -10.655
275 HD3 ARG 35 HD1 ARG 35 10.376 1.410 -11.471
276 HE ARG 35 HE ARG 35 8.096 0.223 -12.616
277 HH11 ARG 35 HH11 ARG 35 8.992 3.911 -13.987
278 HH12 ARG 35 HH12 ARG 35 9.631 3.400 -12.459
279 HH21 ARG 35 HH21 ARG 35 7.671 2.499 -15.226
280 HH22 ARG 35 HH22 ARG 35 7.291 0.914 -14.633
281 H ALA 36 HN ALA 36 9.820 -0.390 -5.701
282 HA ALA 36 HA ALA 36 12.522 0.031 -4.969
283 HB1 ALA 36 HB1 ALA 36 10.657 1.097 -3.769
284 HB2 ALA 36 HB2 ALA 36 11.668 0.188 -2.648
285 HB3 ALA 36 HB3 ALA 36 10.117 -0.473 -3.172
286 H GLY 37 HN GLY 37 10.691 -2.854 -5.280
287 HA2 GLY 37 HA2 GLY 37 11.287 -5.072 -5.086
288 HA3 GLY 37 HA1 GLY 37 12.851 -4.579 -4.448
289 H ARG 38 HN ARG 38 10.402 -3.007 -2.791
290 HA ARG 38 HA ARG 38 10.907 -4.643 -0.413
291 HB2 ARG 38 HB2 ARG 38 9.749 -1.830 -0.696
292 HB3 ARG 38 HB1 ARG 38 10.052 -2.644 0.836
293 HG2 ARG 38 HG2 ARG 38 12.150 -1.802 -1.192
294 HG3 ARG 38 HG1 ARG 38 11.804 -1.014 0.348
295 HD2 ARG 38 HD2 ARG 38 12.467 -3.153 1.512
296 HD3 ARG 38 HD1 ARG 38 12.964 -3.795 -0.057
297 HE ARG 38 HE ARG 38 14.201 -1.278 0.556
298 HH11 ARG 38 HH11 ARG 38 14.507 -4.743 1.123
299 HH12 ARG 38 HH12 ARG 38 16.208 -4.651 1.459
300 HH21 ARG 38 HH21 ARG 38 16.410 -1.171 1.076
301 HH22 ARG 38 HH22 ARG 38 17.280 -2.628 1.432
302 H CYS 39 HN CYS 39 9.404 -6.109 0.107
303 HA CYS 39 HA CYS 39 6.639 -5.981 -0.580
304 HB2 CYS 39 HB2 CYS 39 7.815 -8.102 0.013
305 HB3 CYS 39 HB1 CYS 39 7.965 -7.541 1.677
306 HG CYS 39 HG CYS 39 5.844 -9.513 0.953
307 H ILE 40 HN ILE 40 5.221 -4.618 0.252
308 HA ILE 40 HA ILE 40 5.918 -2.926 2.532
309 HB ILE 40 HB ILE 40 3.722 -2.630 0.426
310 HG12 ILE 40 HG12 ILE 40 5.862 -2.404 -0.680
311 HG13 ILE 40 HG11 ILE 40 5.195 -0.789 -0.503
312 HG21 ILE 40 HG21 ILE 40 4.637 -0.662 2.543
313 HG22 ILE 40 HG22 ILE 40 3.070 -1.469 2.443
314 HG23 ILE 40 HG23 ILE 40 3.533 -0.294 1.218
315 HD11 ILE 40 HD11 ILE 40 7.537 -0.719 -0.058
316 HD12 ILE 40 HD12 ILE 40 7.412 -2.032 1.111
317 HD13 ILE 40 HD13 ILE 40 6.687 -0.458 1.470
318 H ASP 41 HN ASP 41 4.550 -2.570 4.244
319 HA ASP 41 HA ASP 41 2.942 -4.868 5.020
320 HB2 ASP 41 HB2 ASP 41 4.789 -3.861 6.436
321 HB3 ASP 41 HB1 ASP 41 3.774 -2.439 6.654
322 H ILE 42 HN ILE 42 0.926 -4.784 4.242
323 HA ILE 42 HA ILE 42 -0.605 -2.278 4.074
324 HB ILE 42 HB ILE 42 -1.325 -5.047 2.984
325 HG12 ILE 42 HG12 ILE 42 0.721 -4.217 1.875
326 HG13 ILE 42 HG11 ILE 42 -0.631 -4.201 0.754
327 HG21 ILE 42 HG21 ILE 42 -3.307 -3.636 3.301
328 HG22 ILE 42 HG22 ILE 42 -2.979 -3.837 1.582
329 HG23 ILE 42 HG23 ILE 42 -2.556 -2.324 2.387
330 HD11 ILE 42 HD11 ILE 42 -0.844 -1.762 1.078
331 HD12 ILE 42 HD12 ILE 42 0.741 -2.224 0.465
332 HD13 ILE 42 HD13 ILE 42 0.546 -1.797 2.164
333 H GLU 43 HN GLU 43 -1.635 -1.797 5.871
334 HA GLU 43 HA GLU 43 -2.699 -3.571 7.830
335 HB2 GLU 43 HB2 GLU 43 -3.332 -0.638 7.254
336 HB3 GLU 43 HB1 GLU 43 -3.752 -1.485 8.735
337 HG2 GLU 43 HG2 GLU 43 -1.554 -1.475 9.530
338 HG3 GLU 43 HG1 GLU 43 -0.860 -1.341 7.921
339 H LEU 44 HN LEU 44 -4.209 -5.046 6.925
340 HA LEU 44 HA LEU 44 -6.461 -4.100 5.325
341 HB2 LEU 44 HB2 LEU 44 -5.565 -6.287 4.747
342 HB3 LEU 44 HB1 LEU 44 -5.751 -6.859 6.395
343 HG LEU 44 HG LEU 44 -8.254 -6.696 6.125
344 HD11 LEU 44 HD11 LEU 44 -8.397 -5.045 4.331
345 HD12 LEU 44 HD12 LEU 44 -9.256 -6.521 3.904
346 HD13 LEU 44 HD13 LEU 44 -7.670 -6.190 3.195
347 HD21 LEU 44 HD21 LEU 44 -7.098 -8.854 5.842
348 HD22 LEU 44 HD22 LEU 44 -6.913 -8.531 4.113
349 HD23 LEU 44 HD23 LEU 44 -8.524 -8.736 4.811
350 H TYR 45 HN TYR 45 -8.128 -3.151 6.283
351 HA TYR 45 HA TYR 45 -9.030 -3.897 8.990
352 HB2 TYR 45 HB2 TYR 45 -9.919 -1.656 7.097
353 HB3 TYR 45 HB1 TYR 45 -10.523 -1.896 8.738
354 HD1 TYR 45 HD1 TYR 45 -9.121 -1.304 10.685
355 HD2 TYR 45 HD2 TYR 45 -7.612 -0.779 6.721
356 HE1 TYR 45 HE1 TYR 45 -7.260 0.026 11.569
357 HE2 TYR 45 HE2 TYR 45 -5.746 0.562 7.613
358 HH TYR 45 HH TYR 45 -5.159 1.861 9.594
359 H THR 46 HN THR 46 -11.043 -4.870 9.307
360 HA THR 46 HA THR 46 -11.685 -6.822 7.338
361 HB THR 46 HB THR 46 -11.729 -7.387 9.727
362 HG1 THR 46 HG1 THR 46 -13.671 -8.006 7.975
363 HG21 THR 46 HG21 THR 46 -12.587 -5.272 10.663
364 HG22 THR 46 HG22 THR 46 -13.558 -6.639 11.211
365 HG23 THR 46 HG23 THR 46 -14.166 -5.578 9.939
366 H ASP 47 HN ASP 47 -13.017 -3.701 7.931
367 HA ASP 47 HA ASP 47 -15.643 -4.183 6.806
368 HB2 ASP 47 HB2 ASP 47 -15.938 -1.734 6.995
369 HB3 ASP 47 HB1 ASP 47 -15.292 -2.410 8.488
370 H GLY 48 HN GLY 48 -12.553 -3.701 5.451
371 HA2 GLY 48 HA2 GLY 48 -12.367 -4.232 3.078
372 HA3 GLY 48 HA1 GLY 48 -13.748 -3.191 2.786
373 H ARG 49 HN ARG 49 -12.101 -1.444 4.997
374 HA ARG 49 HA ARG 49 -10.592 0.121 3.058
375 HB2 ARG 49 HB2 ARG 49 -10.968 0.355 6.075
376 HB3 ARG 49 HB1 ARG 49 -9.860 1.402 5.185
377 HG2 ARG 49 HG2 ARG 49 -11.782 2.186 3.784
378 HG3 ARG 49 HG1 ARG 49 -12.859 1.197 4.777
379 HD2 ARG 49 HD2 ARG 49 -12.910 3.541 5.512
380 HD3 ARG 49 HD1 ARG 49 -12.241 2.507 6.776
381 HE ARG 49 HE ARG 49 -9.981 3.277 5.937
382 HH11 ARG 49 HH11 ARG 49 -12.799 5.345 5.579
383 HH12 ARG 49 HH12 ARG 49 -11.866 6.807 5.587
384 HH21 ARG 49 HH21 ARG 49 -8.774 5.191 5.966
385 HH22 ARG 49 HH22 ARG 49 -9.572 6.727 5.805
386 H VAL 50 HN VAL 50 -8.332 0.343 2.989
387 HA VAL 50 HA VAL 50 -6.664 -1.219 4.842
388 HB VAL 50 HB VAL 50 -5.077 -1.882 3.047
389 HG11 VAL 50 HG11 VAL 50 -6.738 -3.520 3.769
390 HG12 VAL 50 HG12 VAL 50 -6.372 -3.724 2.059
391 HG13 VAL 50 HG13 VAL 50 -7.876 -2.944 2.551
392 HG21 VAL 50 HG21 VAL 50 -5.689 -1.763 0.657
393 HG22 VAL 50 HG22 VAL 50 -5.573 -0.153 1.367
394 HG23 VAL 50 HG23 VAL 50 -7.157 -0.871 1.069
395 H GLU 51 HN GLU 51 -4.565 -0.341 5.137
396 HA GLU 51 HA GLU 51 -3.997 2.284 3.929
397 HB2 GLU 51 HB2 GLU 51 -5.074 2.619 6.190
398 HB3 GLU 51 HB1 GLU 51 -3.736 1.737 6.921
399 HG2 GLU 51 HG2 GLU 51 -2.160 3.447 6.224
400 HG3 GLU 51 HG1 GLU 51 -3.407 4.287 5.304
401 H CYS 52 HN CYS 52 -1.978 2.368 3.214
402 HA CYS 52 HA CYS 52 0.000 0.354 4.012
403 HB2 CYS 52 HB2 CYS 52 -0.188 0.509 1.640
404 HB3 CYS 52 HB1 CYS 52 -0.198 2.272 1.670
405 HG CYS 52 HG CYS 52 2.231 2.256 0.887
406 H ARG 53 HN ARG 53 1.304 0.971 5.707
407 HA ARG 53 HA ARG 53 1.532 3.627 6.664
408 HB2 ARG 53 HB2 ARG 53 1.862 1.571 8.047
409 HB3 ARG 53 HB1 ARG 53 3.409 1.299 7.252
410 HG2 ARG 53 HG2 ARG 53 4.272 3.398 8.181
411 HG3 ARG 53 HG1 ARG 53 2.703 3.739 8.912
412 HD2 ARG 53 HD2 ARG 53 2.947 1.697 10.323
413 HD3 ARG 53 HD1 ARG 53 4.534 1.416 9.606
414 HE ARG 53 HE ARG 53 5.392 3.303 10.730
415 HH11 ARG 53 HH11 ARG 53 2.029 2.734 11.598
416 HH12 ARG 53 HH12 ARG 53 2.108 3.715 13.027
417 HH21 ARG 53 HH21 ARG 53 5.477 4.594 12.597
418 HH22 ARG 53 HH22 ARG 53 4.069 4.776 13.597
419 H GLU 54 HN GLU 54 3.679 1.697 4.623
420 HA GLU 54 HA GLU 54 5.890 3.447 4.430
421 HB2 GLU 54 HB2 GLU 54 6.029 1.114 3.770
422 HB3 GLU 54 HB1 GLU 54 4.839 1.361 2.501
423 HG2 GLU 54 HG2 GLU 54 7.047 1.181 1.540
424 HG3 GLU 54 HG1 GLU 54 6.416 2.796 1.279
425 H LEU 55 HN LEU 55 2.765 3.537 2.915
426 HA LEU 55 HA LEU 55 3.441 5.297 0.752
427 HB2 LEU 55 HB2 LEU 55 1.499 3.634 0.749
428 HB3 LEU 55 HB1 LEU 55 0.655 4.696 1.856
429 HG LEU 55 HG LEU 55 -0.115 4.874 -0.534
430 HD11 LEU 55 HD11 LEU 55 -0.185 7.319 -0.716
431 HD12 LEU 55 HD12 LEU 55 1.053 7.463 0.528
432 HD13 LEU 55 HD13 LEU 55 -0.525 6.785 0.928
433 HD21 LEU 55 HD21 LEU 55 1.286 5.998 -2.221
434 HD22 LEU 55 HD22 LEU 55 2.012 4.489 -1.675
435 HD23 LEU 55 HD23 LEU 55 2.637 6.029 -1.085
436 H ARG 56 HN ARG 56 4.491 6.983 1.841
437 HA ARG 56 HA ARG 56 2.812 8.975 3.150
438 HB2 ARG 56 HB2 ARG 56 5.626 8.973 2.047
439 HB3 ARG 56 HB1 ARG 56 4.828 10.505 2.325
440 HG2 ARG 56 HG2 ARG 56 6.262 9.959 4.201
441 HG3 ARG 56 HG1 ARG 56 4.577 9.973 4.707
442 HD2 ARG 56 HD2 ARG 56 5.851 8.129 5.739
443 HD3 ARG 56 HD1 ARG 56 4.534 7.535 4.732
444 HE ARG 56 HE ARG 56 6.061 6.640 3.247
445 HH11 ARG 56 HH11 ARG 56 9.367 7.746 5.246
446 HH12 ARG 56 HH12 ARG 56 7.842 8.434 5.698
447 HH21 ARG 56 HH21 ARG 56 9.493 6.227 3.554
448 HH22 ARG 56 HH22 ARG 56 8.064 5.730 2.704
449 HA PRO 57 HA PRO 57 0.851 9.915 -0.914
450 HB2 PRO 57 HB2 PRO 57 -0.606 12.096 0.026
451 HB3 PRO 57 HB1 PRO 57 -1.113 10.406 0.218
452 HG2 PRO 57 HG2 PRO 57 0.349 12.159 2.175
453 HG3 PRO 57 HG1 PRO 57 -1.058 11.107 2.449
454 HD2 PRO 57 HD2 PRO 57 1.370 10.270 3.144
455 HD3 PRO 57 HD1 PRO 57 0.237 9.137 2.364
456 H ASP 58 HN ASP 58 3.056 11.840 0.890
457 HA ASP 58 HA ASP 58 3.075 14.275 -0.608
458 HB2 ASP 58 HB2 ASP 58 3.890 14.262 1.680
459 HB3 ASP 58 HB1 ASP 58 5.083 13.024 1.322
460 H VAL 59 HN VAL 59 4.518 11.173 -1.027
461 HA VAL 59 HA VAL 59 6.832 11.566 -2.457
462 HB VAL 59 HB VAL 59 4.740 9.369 -2.771
463 HG11 VAL 59 HG11 VAL 59 7.638 9.346 -3.760
464 HG12 VAL 59 HG12 VAL 59 6.196 9.363 -4.770
465 HG13 VAL 59 HG13 VAL 59 6.544 7.955 -3.772
466 HG21 VAL 59 HG21 VAL 59 6.208 8.051 -1.293
467 HG22 VAL 59 HG22 VAL 59 5.693 9.545 -0.507
468 HG23 VAL 59 HG23 VAL 59 7.328 9.414 -1.159
469 H PHE 60 HN PHE 60 3.497 11.600 -3.746
470 HA PHE 60 HA PHE 60 4.488 12.823 -6.272
471 HB2 PHE 60 HB2 PHE 60 2.342 10.697 -5.909
472 HB3 PHE 60 HB1 PHE 60 2.372 11.721 -7.340
473 HD1 PHE 60 HD1 PHE 60 4.296 11.616 -8.913
474 HD2 PHE 60 HD2 PHE 60 3.932 8.857 -5.660
475 HE1 PHE 60 HE1 PHE 60 5.950 10.141 -9.983
476 HE2 PHE 60 HE2 PHE 60 5.586 7.390 -6.745
477 HZ PHE 60 HZ PHE 60 6.593 8.025 -8.900
478 H GLY 61 HN GLY 61 3.027 13.617 -3.523
479 HA2 GLY 61 HA2 GLY 61 1.545 15.227 -2.803
480 HA3 GLY 61 HA1 GLY 61 1.558 15.876 -4.440
481 H ALA 62 HN ALA 62 0.670 12.589 -3.638
482 HA ALA 62 HA ALA 62 -1.730 12.678 -5.205
483 HB1 ALA 62 HB1 ALA 62 -0.439 10.432 -3.602
484 HB2 ALA 62 HB2 ALA 62 -0.172 10.769 -5.310
485 HB3 ALA 62 HB3 ALA 62 -1.757 10.222 -4.762
Start of MODEL 14
1 H1 MET 1 HT1 MET 1 -7.698 -2.630 13.641
2 H2 MET 1 HT2 MET 1 -6.182 -3.372 13.661
3 H3 MET 1 HT3 MET 1 -7.583 -4.312 13.721
4 HA MET 1 HA MET 1 -8.201 -3.639 11.533
5 HB2 MET 1 HB2 MET 1 -6.684 -2.249 10.152
6 HB3 MET 1 HB1 MET 1 -7.194 -1.378 11.589
7 HG2 MET 1 HG2 MET 1 -5.009 -1.940 12.662
8 HG3 MET 1 HG1 MET 1 -4.493 -2.671 11.138
9 HE1 MET 1 HE1 MET 1 -2.325 -1.061 11.080
10 HE2 MET 1 HE2 MET 1 -2.826 -0.352 12.617
11 HE3 MET 1 HE3 MET 1 -2.427 0.690 11.253
12 H LYS 2 HN LYS 2 -7.387 -4.734 9.672
13 HA LYS 2 HA LYS 2 -5.665 -7.028 10.265
14 HB2 LYS 2 HB2 LYS 2 -7.364 -6.500 7.784
15 HB3 LYS 2 HB1 LYS 2 -6.677 -8.043 8.293
16 HG2 LYS 2 HG2 LYS 2 -8.188 -8.054 10.258
17 HG3 LYS 2 HG1 LYS 2 -8.877 -6.517 9.732
18 HD2 LYS 2 HD2 LYS 2 -8.988 -9.121 8.154
19 HD3 LYS 2 HD1 LYS 2 -10.308 -8.468 9.125
20 HE2 LYS 2 HE2 LYS 2 -10.491 -6.527 7.650
21 HE3 LYS 2 HE1 LYS 2 -9.076 -7.050 6.733
22 HZ1 LYS 2 HZ1 LYS 2 -10.283 -9.003 6.026
23 HZ2 LYS 2 HZ2 LYS 2 -11.138 -7.606 5.611
24 HZ3 LYS 2 HZ3 LYS 2 -11.638 -8.539 6.924
25 H LYS 3 HN LYS 3 -4.058 -7.681 8.664
26 HA LYS 3 HA LYS 3 -2.982 -5.507 6.957
27 HB2 LYS 3 HB2 LYS 3 -1.496 -7.320 8.886
28 HB3 LYS 3 HB1 LYS 3 -0.667 -6.523 7.549
29 HG2 LYS 3 HG2 LYS 3 -1.496 -4.321 8.435
30 HG3 LYS 3 HG1 LYS 3 -2.111 -5.175 9.857
31 HD2 LYS 3 HD2 LYS 3 0.074 -5.714 10.620
32 HD3 LYS 3 HD1 LYS 3 0.805 -5.436 9.038
33 HE2 LYS 3 HE2 LYS 3 -0.357 -3.256 10.808
34 HE3 LYS 3 HE1 LYS 3 1.358 -3.660 10.698
35 HZ1 LYS 3 HZ1 LYS 3 -0.369 -2.573 8.539
36 HZ2 LYS 3 HZ2 LYS 3 1.178 -3.184 8.266
37 HZ3 LYS 3 HZ3 LYS 3 0.971 -1.838 9.268
38 H ILE 4 HN ILE 4 -2.014 -6.102 5.043
39 HA ILE 4 HA ILE 4 -2.199 -8.897 4.099
40 HB ILE 4 HB ILE 4 -3.510 -6.524 2.733
41 HG12 ILE 4 HG12 ILE 4 -4.702 -9.045 3.914
42 HG13 ILE 4 HG11 ILE 4 -5.006 -7.379 4.407
43 HG21 ILE 4 HG21 ILE 4 -3.361 -9.298 1.553
44 HG22 ILE 4 HG22 ILE 4 -2.407 -7.918 1.021
45 HG23 ILE 4 HG23 ILE 4 -4.162 -7.888 0.838
46 HD11 ILE 4 HD11 ILE 4 -6.000 -7.011 2.129
47 HD12 ILE 4 HD12 ILE 4 -6.887 -8.099 3.201
48 HD13 ILE 4 HD13 ILE 4 -5.895 -8.760 1.897
49 HA PRO 5 HA PRO 5 1.631 -7.602 1.919
50 HB2 PRO 5 HB2 PRO 5 1.077 -9.872 0.050
51 HB3 PRO 5 HB1 PRO 5 2.469 -9.631 1.124
52 HG2 PRO 5 HG2 PRO 5 0.637 -11.533 1.633
53 HG3 PRO 5 HG1 PRO 5 1.431 -10.628 2.945
54 HD2 PRO 5 HD2 PRO 5 -1.321 -10.184 1.763
55 HD3 PRO 5 HD1 PRO 5 -0.837 -10.209 3.471
56 H LEU 6 HN LEU 6 1.748 -6.036 0.359
57 HA LEU 6 HA LEU 6 -0.379 -4.995 -1.074
58 HB2 LEU 6 HB2 LEU 6 1.681 -3.738 -0.754
59 HB3 LEU 6 HB1 LEU 6 2.600 -4.894 -1.702
60 HG LEU 6 HG LEU 6 1.393 -4.161 -3.768
61 HD11 LEU 6 HD11 LEU 6 -0.729 -3.458 -2.794
62 HD12 LEU 6 HD12 LEU 6 -0.028 -2.165 -3.765
63 HD13 LEU 6 HD13 LEU 6 0.059 -2.094 -2.001
64 HD21 LEU 6 HD21 LEU 6 3.528 -3.120 -3.180
65 HD22 LEU 6 HD22 LEU 6 2.686 -1.879 -2.251
66 HD23 LEU 6 HD23 LEU 6 2.466 -1.973 -4.000
67 H SER 7 HN SER 7 1.966 -7.434 -2.089
68 HA SER 7 HA SER 7 1.266 -7.797 -4.760
69 HB2 SER 7 HB2 SER 7 2.294 -10.120 -4.376
70 HB3 SER 7 HB1 SER 7 3.304 -8.748 -3.911
71 HG SER 7 HG SER 7 3.207 -10.437 -2.317
72 H LYS 8 HN LYS 8 0.154 -9.744 -1.921
73 HA LYS 8 HA LYS 8 -1.768 -11.209 -3.440
74 HB2 LYS 8 HB2 LYS 8 -1.075 -11.104 -0.517
75 HB3 LYS 8 HB1 LYS 8 -2.631 -11.792 -0.973
76 HG2 LYS 8 HG2 LYS 8 -1.284 -13.267 -2.625
77 HG3 LYS 8 HG1 LYS 8 0.135 -12.785 -1.690
78 HD2 LYS 8 HD2 LYS 8 -0.767 -13.807 0.321
79 HD3 LYS 8 HD1 LYS 8 -2.332 -14.070 -0.451
80 HE2 LYS 8 HE2 LYS 8 -1.246 -15.663 -2.030
81 HE3 LYS 8 HE1 LYS 8 0.280 -15.438 -1.176
82 HZ1 LYS 8 HZ1 LYS 8 -2.215 -16.526 0.009
83 HZ2 LYS 8 HZ2 LYS 8 -0.740 -16.333 0.813
84 HZ3 LYS 8 HZ3 LYS 8 -0.868 -17.435 -0.464
85 H TYR 9 HN TYR 9 -1.929 -8.109 -1.910
86 HA TYR 9 HA TYR 9 -4.785 -7.948 -1.763
87 HB2 TYR 9 HB2 TYR 9 -3.417 -6.341 -0.485
88 HB3 TYR 9 HB1 TYR 9 -2.707 -5.715 -1.955
89 HD1 TYR 9 HD1 TYR 9 -5.667 -5.672 0.208
90 HD2 TYR 9 HD2 TYR 9 -4.089 -4.290 -3.525
91 HE1 TYR 9 HE1 TYR 9 -7.536 -4.119 -0.012
92 HE2 TYR 9 HE2 TYR 9 -5.959 -2.734 -3.739
93 HH TYR 9 HH TYR 9 -7.997 -1.920 -1.263
94 H LEU 10 HN LEU 10 -2.347 -6.872 -4.152
95 HA LEU 10 HA LEU 10 -4.134 -5.831 -6.077
96 HB2 LEU 10 HB2 LEU 10 -1.317 -6.907 -6.473
97 HB3 LEU 10 HB1 LEU 10 -2.193 -5.923 -7.639
98 HG LEU 10 HG LEU 10 -1.342 -4.983 -4.869
99 HD11 LEU 10 HD11 LEU 10 0.602 -5.344 -6.290
100 HD12 LEU 10 HD12 LEU 10 0.345 -3.625 -6.006
101 HD13 LEU 10 HD13 LEU 10 -0.108 -4.339 -7.557
102 HD21 LEU 10 HD21 LEU 10 -2.566 -3.407 -7.152
103 HD22 LEU 10 HD22 LEU 10 -1.984 -2.741 -5.622
104 HD23 LEU 10 HD23 LEU 10 -3.363 -3.838 -5.633
105 H GLU 11 HN GLU 11 -3.057 -9.085 -5.438
106 HA GLU 11 HA GLU 11 -4.008 -10.199 -7.930
107 HB2 GLU 11 HB2 GLU 11 -3.110 -11.518 -5.344
108 HB3 GLU 11 HB1 GLU 11 -3.512 -12.392 -6.816
109 HG2 GLU 11 HG2 GLU 11 -1.242 -10.394 -6.524
110 HG3 GLU 11 HG1 GLU 11 -1.068 -12.145 -6.495
111 H GLU 12 HN GLU 12 -5.163 -10.215 -4.515
112 HA GLU 12 HA GLU 12 -7.421 -11.932 -5.309
113 HB2 GLU 12 HB2 GLU 12 -5.926 -12.692 -3.491
114 HB3 GLU 12 HB1 GLU 12 -6.323 -11.254 -2.559
115 HG2 GLU 12 HG2 GLU 12 -7.550 -13.176 -1.699
116 HG3 GLU 12 HG1 GLU 12 -8.670 -12.004 -2.393
117 H HIS 13 HN HIS 13 -6.845 -8.891 -3.461
118 HA HIS 13 HA HIS 13 -9.694 -8.742 -2.755
119 HB2 HIS 13 HB2 HIS 13 -7.213 -7.251 -1.829
120 HB3 HIS 13 HB1 HIS 13 -8.820 -6.686 -1.394
121 HD1 HIS 13 HD1 HIS 13 -9.525 -7.437 0.797
122 HD2 HIS 13 HD2 HIS 13 -7.007 -10.205 -0.998
123 HE1 HIS 13 HE1 HIS 13 -9.228 -9.261 2.478
124 HE2 HIS 13 HE2 HIS 13 -7.819 -10.998 1.310
125 H GLY 14 HN GLY 14 -7.266 -6.685 -4.336
126 HA2 GLY 14 HA2 GLY 14 -9.321 -5.364 -5.970
127 HA3 GLY 14 HA1 GLY 14 -8.337 -4.354 -4.908
128 H THR 15 HN THR 15 -7.728 -3.383 -6.957
129 HA THR 15 HA THR 15 -5.312 -4.676 -8.064
130 HB THR 15 HB THR 15 -6.211 -3.100 -10.205
131 HG1 THR 15 HG1 THR 15 -8.477 -4.511 -9.230
132 HG21 THR 15 HG21 THR 15 -6.725 -6.053 -9.805
133 HG22 THR 15 HG22 THR 15 -5.222 -5.334 -10.402
134 HG23 THR 15 HG23 THR 15 -6.710 -5.198 -11.347
135 H GLN 16 HN GLN 16 -4.287 -2.776 -9.552
136 HA GLN 16 HA GLN 16 -3.069 -1.118 -7.646
137 HB2 GLN 16 HB2 GLN 16 -2.942 -0.986 -10.687
138 HB3 GLN 16 HB1 GLN 16 -1.905 -0.058 -9.614
139 HG2 GLN 16 HG2 GLN 16 -0.615 -1.894 -10.352
140 HG3 GLN 16 HG1 GLN 16 -1.044 -2.238 -8.687
141 HE21 GLN 16 HE21 GLN 16 -0.575 -4.447 -9.072
142 HE22 GLN 16 HE22 GLN 16 -1.651 -5.471 -9.951
143 H SER 17 HN SER 17 -5.266 -0.396 -10.327
144 HA SER 17 HA SER 17 -5.585 2.385 -9.820
145 HB2 SER 17 HB2 SER 17 -5.986 1.259 -12.026
146 HB3 SER 17 HB1 SER 17 -7.421 0.507 -11.339
147 HG SER 17 HG SER 17 -7.896 2.922 -10.839
148 H ALA 18 HN ALA 18 -7.431 -0.536 -8.955
149 HA ALA 18 HA ALA 18 -9.691 0.649 -7.765
150 HB1 ALA 18 HB1 ALA 18 -9.510 -1.762 -8.372
151 HB2 ALA 18 HB2 ALA 18 -10.039 -1.525 -6.701
152 HB3 ALA 18 HB3 ALA 18 -8.368 -1.989 -7.040
153 H LEU 19 HN LEU 19 -6.501 -0.141 -6.540
154 HA LEU 19 HA LEU 19 -7.078 0.295 -3.773
155 HB2 LEU 19 HB2 LEU 19 -5.242 -1.189 -4.409
156 HB3 LEU 19 HB1 LEU 19 -4.438 0.109 -5.268
157 HG LEU 19 HG LEU 19 -3.959 1.266 -3.119
158 HD11 LEU 19 HD11 LEU 19 -5.866 0.546 -1.784
159 HD12 LEU 19 HD12 LEU 19 -4.350 0.209 -0.956
160 HD13 LEU 19 HD13 LEU 19 -5.238 -1.102 -1.734
161 HD21 LEU 19 HD21 LEU 19 -2.272 -0.285 -2.258
162 HD22 LEU 19 HD22 LEU 19 -2.296 -0.284 -4.019
163 HD23 LEU 19 HD23 LEU 19 -3.030 -1.621 -3.128
164 H ALA 20 HN ALA 20 -5.367 2.114 -6.324
165 HA ALA 20 HA ALA 20 -4.858 4.520 -4.970
166 HB1 ALA 20 HB1 ALA 20 -4.621 5.505 -7.219
167 HB2 ALA 20 HB2 ALA 20 -5.416 4.100 -7.937
168 HB3 ALA 20 HB3 ALA 20 -3.849 3.922 -7.143
169 H ALA 21 HN ALA 21 -7.804 3.334 -6.460
170 HA ALA 21 HA ALA 21 -9.251 5.819 -6.436
171 HB1 ALA 21 HB1 ALA 21 -11.195 4.432 -6.996
172 HB2 ALA 21 HB2 ALA 21 -10.294 2.967 -6.590
173 HB3 ALA 21 HB3 ALA 21 -9.804 3.950 -7.973
174 H ALA 22 HN ALA 22 -9.078 2.961 -4.357
175 HA ALA 22 HA ALA 22 -11.020 3.693 -2.426
176 HB1 ALA 22 HB1 ALA 22 -8.660 1.793 -2.194
177 HB2 ALA 22 HB2 ALA 22 -10.271 1.377 -2.778
178 HB3 ALA 22 HB3 ALA 22 -10.046 1.858 -1.098
179 H LEU 23 HN LEU 23 -7.581 4.344 -2.730
180 HA LEU 23 HA LEU 23 -7.320 5.537 -0.077
181 HB2 LEU 23 HB2 LEU 23 -5.316 5.491 -2.370
182 HB3 LEU 23 HB1 LEU 23 -4.981 5.935 -0.707
183 HG LEU 23 HG LEU 23 -5.649 3.153 -1.726
184 HD11 LEU 23 HD11 LEU 23 -3.355 2.581 -1.093
185 HD12 LEU 23 HD12 LEU 23 -3.048 4.254 -0.619
186 HD13 LEU 23 HD13 LEU 23 -3.389 3.860 -2.306
187 HD21 LEU 23 HD21 LEU 23 -6.633 3.378 0.458
188 HD22 LEU 23 HD22 LEU 23 -5.142 4.063 1.120
189 HD23 LEU 23 HD23 LEU 23 -5.180 2.380 0.588
190 H GLY 24 HN GLY 24 -8.026 6.509 -3.332
191 HA2 GLY 24 HA2 GLY 24 -8.501 8.537 -4.289
192 HA3 GLY 24 HA1 GLY 24 -8.391 9.288 -2.703
193 H VAL 25 HN VAL 25 -5.873 7.379 -4.200
194 HA VAL 25 HA VAL 25 -4.074 9.721 -4.442
195 HB VAL 25 HB VAL 25 -2.194 8.277 -3.888
196 HG11 VAL 25 HG11 VAL 25 -4.436 7.836 -1.879
197 HG12 VAL 25 HG12 VAL 25 -3.391 9.258 -1.971
198 HG13 VAL 25 HG13 VAL 25 -2.708 7.688 -1.543
199 HG21 VAL 25 HG21 VAL 25 -2.894 6.194 -4.963
200 HG22 VAL 25 HG22 VAL 25 -4.178 5.967 -3.776
201 HG23 VAL 25 HG23 VAL 25 -2.487 5.868 -3.276
202 H ASN 26 HN ASN 26 -2.055 8.887 -5.900
203 HA ASN 26 HA ASN 26 -3.133 8.338 -8.545
204 HB2 ASN 26 HB2 ASN 26 -0.323 9.025 -7.573
205 HB3 ASN 26 HB1 ASN 26 -0.693 8.675 -9.257
206 HD21 ASN 26 HD21 ASN 26 -0.391 10.620 -10.204
207 HD22 ASN 26 HD22 ASN 26 -1.207 12.074 -9.756
208 H GLN 27 HN GLN 27 -2.380 6.692 -9.933
209 HA GLN 27 HA GLN 27 -1.831 4.105 -8.831
210 HB2 GLN 27 HB2 GLN 27 -1.463 4.970 -11.738
211 HB3 GLN 27 HB1 GLN 27 -1.653 3.323 -11.139
212 HG2 GLN 27 HG2 GLN 27 -3.966 3.796 -10.488
213 HG3 GLN 27 HG1 GLN 27 -3.791 5.471 -11.011
214 HE21 GLN 27 HE21 GLN 27 -5.761 3.703 -12.005
215 HE22 GLN 27 HE22 GLN 27 -5.443 3.439 -13.682
216 H SER 28 HN SER 28 0.056 6.672 -10.341
217 HA SER 28 HA SER 28 2.526 5.429 -10.761
218 HB2 SER 28 HB2 SER 28 3.436 7.785 -10.707
219 HB3 SER 28 HB1 SER 28 2.010 7.617 -11.732
220 HG SER 28 HG SER 28 1.129 9.091 -10.549
221 H ALA 29 HN ALA 29 1.181 7.023 -7.914
222 HA ALA 29 HA ALA 29 3.338 6.983 -6.121
223 HB1 ALA 29 HB1 ALA 29 0.377 6.645 -5.556
224 HB2 ALA 29 HB2 ALA 29 1.205 8.186 -5.783
225 HB3 ALA 29 HB3 ALA 29 1.612 7.171 -4.403
226 H ILE 30 HN ILE 30 0.798 4.514 -6.561
227 HA ILE 30 HA ILE 30 1.826 2.607 -4.756
228 HB ILE 30 HB ILE 30 0.084 2.209 -7.228
229 HG12 ILE 30 HG12 ILE 30 -0.656 2.582 -4.285
230 HG13 ILE 30 HG11 ILE 30 -0.867 3.778 -5.559
231 HG21 ILE 30 HG21 ILE 30 1.098 0.052 -6.568
232 HG22 ILE 30 HG22 ILE 30 -0.632 0.054 -6.223
233 HG23 ILE 30 HG23 ILE 30 0.527 0.277 -4.912
234 HD11 ILE 30 HD11 ILE 30 -2.946 2.721 -5.000
235 HD12 ILE 30 HD12 ILE 30 -2.274 1.133 -5.362
236 HD13 ILE 30 HD13 ILE 30 -2.479 2.322 -6.651
237 H SER 31 HN SER 31 2.216 2.961 -8.277
238 HA SER 31 HA SER 31 3.829 0.700 -8.788
239 HB2 SER 31 HB2 SER 31 3.663 3.321 -10.356
240 HB3 SER 31 HB1 SER 31 4.256 1.772 -10.969
241 HG SER 31 HG SER 31 1.732 2.680 -10.812
242 H GLN 32 HN GLN 32 4.648 3.949 -7.635
243 HA GLN 32 HA GLN 32 7.471 3.775 -8.218
244 HB2 GLN 32 HB2 GLN 32 6.196 5.957 -7.976
245 HB3 GLN 32 HB1 GLN 32 6.067 5.640 -6.250
246 HG2 GLN 32 HG2 GLN 32 8.564 5.670 -6.100
247 HG3 GLN 32 HG1 GLN 32 8.635 6.072 -7.814
248 HE21 GLN 32 HE21 GLN 32 6.336 7.363 -5.425
249 HE22 GLN 32 HE22 GLN 32 6.887 8.996 -5.543
250 H MET 33 HN MET 33 5.373 3.257 -5.422
251 HA MET 33 HA MET 33 7.268 2.595 -3.434
252 HB2 MET 33 HB2 MET 33 4.429 1.607 -3.815
253 HB3 MET 33 HB1 MET 33 5.366 1.485 -2.328
254 HG2 MET 33 HG2 MET 33 5.385 4.252 -3.163
255 HG3 MET 33 HG1 MET 33 3.729 3.677 -3.203
256 HE1 MET 33 HE1 MET 33 3.878 1.405 -0.997
257 HE2 MET 33 HE2 MET 33 2.530 2.538 -1.188
258 HE3 MET 33 HE3 MET 33 3.263 2.304 0.398
259 H VAL 34 HN VAL 34 5.607 0.664 -5.863
260 HA VAL 34 HA VAL 34 6.630 -1.894 -5.189
261 HB VAL 34 HB VAL 34 5.483 -0.836 -7.820
262 HG11 VAL 34 HG11 VAL 34 6.829 -2.871 -8.218
263 HG12 VAL 34 HG12 VAL 34 5.109 -3.161 -8.481
264 HG13 VAL 34 HG13 VAL 34 5.885 -3.732 -6.997
265 HG21 VAL 34 HG21 VAL 34 4.133 -2.453 -5.621
266 HG22 VAL 34 HG22 VAL 34 3.371 -1.913 -7.121
267 HG23 VAL 34 HG23 VAL 34 3.892 -0.733 -5.918
268 H ARG 35 HN ARG 35 7.584 0.512 -7.671
269 HA ARG 35 HA ARG 35 9.728 -0.941 -8.809
270 HB2 ARG 35 HB2 ARG 35 8.974 2.001 -8.879
271 HB3 ARG 35 HB1 ARG 35 10.446 1.442 -9.659
272 HG2 ARG 35 HG2 ARG 35 7.691 0.368 -10.338
273 HG3 ARG 35 HG1 ARG 35 8.438 1.735 -11.165
274 HD2 ARG 35 HD2 ARG 35 8.825 -0.190 -12.531
275 HD3 ARG 35 HD1 ARG 35 10.368 0.198 -11.772
276 HE ARG 35 HE ARG 35 8.602 -1.922 -10.694
277 HH11 ARG 35 HH11 ARG 35 12.492 -2.514 -11.569
278 HH12 ARG 35 HH12 ARG 35 11.762 -0.985 -11.951
279 HH21 ARG 35 HH21 ARG 35 11.256 -4.161 -10.582
280 HH22 ARG 35 HH22 ARG 35 9.583 -3.894 -10.207
281 H ALA 36 HN ALA 36 9.572 1.227 -6.052
282 HA ALA 36 HA ALA 36 12.383 1.761 -5.833
283 HB1 ALA 36 HB1 ALA 36 10.677 3.314 -4.965
284 HB2 ALA 36 HB2 ALA 36 11.802 2.825 -3.696
285 HB3 ALA 36 HB3 ALA 36 10.184 2.117 -3.766
286 H GLY 37 HN GLY 37 10.791 -1.108 -5.357
287 HA2 GLY 37 HA2 GLY 37 11.534 -3.120 -4.539
288 HA3 GLY 37 HA1 GLY 37 13.010 -2.330 -4.001
289 H ARG 38 HN ARG 38 9.957 -1.041 -3.013
290 HA ARG 38 HA ARG 38 10.551 -1.637 -0.214
291 HB2 ARG 38 HB2 ARG 38 8.341 0.103 -1.393
292 HB3 ARG 38 HB1 ARG 38 8.811 0.023 0.302
293 HG2 ARG 38 HG2 ARG 38 10.503 1.102 -1.975
294 HG3 ARG 38 HG1 ARG 38 9.665 2.062 -0.754
295 HD2 ARG 38 HD2 ARG 38 11.102 1.059 1.010
296 HD3 ARG 38 HD1 ARG 38 11.940 0.106 -0.220
297 HE ARG 38 HE ARG 38 12.121 2.763 -1.005
298 HH11 ARG 38 HH11 ARG 38 14.681 1.837 1.969
299 HH12 ARG 38 HH12 ARG 38 13.293 0.830 1.714
300 HH21 ARG 38 HH21 ARG 38 13.916 4.077 -0.609
301 HH22 ARG 38 HH22 ARG 38 15.034 3.671 0.656
302 H CYS 39 HN CYS 39 9.735 -3.511 0.566
303 HA CYS 39 HA CYS 39 7.393 -4.848 -0.417
304 HB2 CYS 39 HB2 CYS 39 9.159 -6.134 0.710
305 HB3 CYS 39 HB1 CYS 39 8.974 -5.184 2.179
306 HG CYS 39 HG CYS 39 6.330 -6.136 2.626
307 H ILE 40 HN ILE 40 5.390 -4.013 -0.110
308 HA ILE 40 HA ILE 40 4.896 -2.205 2.176
309 HB ILE 40 HB ILE 40 3.573 -2.158 -0.580
310 HG12 ILE 40 HG12 ILE 40 5.934 -1.350 -0.608
311 HG13 ILE 40 HG11 ILE 40 4.790 -0.062 -0.968
312 HG21 ILE 40 HG21 ILE 40 3.129 -0.274 1.752
313 HG22 ILE 40 HG22 ILE 40 1.971 -1.460 1.151
314 HG23 ILE 40 HG23 ILE 40 2.439 -0.092 0.138
315 HD11 ILE 40 HD11 ILE 40 5.005 0.736 1.367
316 HD12 ILE 40 HD12 ILE 40 6.516 0.756 0.456
317 HD13 ILE 40 HD13 ILE 40 6.225 -0.519 1.639
318 H ASP 41 HN ASP 41 2.980 -2.327 3.223
319 HA ASP 41 HA ASP 41 1.363 -4.783 3.032
320 HB2 ASP 41 HB2 ASP 41 2.888 -4.779 4.987
321 HB3 ASP 41 HB1 ASP 41 2.285 -3.196 5.481
322 H ILE 42 HN ILE 42 -0.910 -4.445 3.387
323 HA ILE 42 HA ILE 42 -1.842 -1.641 3.225
324 HB ILE 42 HB ILE 42 -3.286 -4.108 2.152
325 HG12 ILE 42 HG12 ILE 42 -1.203 -3.700 0.846
326 HG13 ILE 42 HG11 ILE 42 -2.634 -3.384 -0.125
327 HG21 ILE 42 HG21 ILE 42 -3.870 -1.150 1.748
328 HG22 ILE 42 HG22 ILE 42 -4.827 -2.275 2.711
329 HG23 ILE 42 HG23 ILE 42 -4.734 -2.476 0.959
330 HD11 ILE 42 HD11 ILE 42 -0.884 -1.749 -0.509
331 HD12 ILE 42 HD12 ILE 42 -0.903 -1.281 1.188
332 HD13 ILE 42 HD13 ILE 42 -2.317 -0.978 0.168
333 H GLU 43 HN GLU 43 -2.812 -0.996 5.014
334 HA GLU 43 HA GLU 43 -3.773 -2.719 7.107
335 HB2 GLU 43 HB2 GLU 43 -3.928 0.315 6.792
336 HB3 GLU 43 HB1 GLU 43 -4.419 -0.560 8.238
337 HG2 GLU 43 HG2 GLU 43 -2.248 0.411 8.614
338 HG3 GLU 43 HG1 GLU 43 -2.071 -1.342 8.530
339 H LEU 44 HN LEU 44 -5.576 -3.808 6.560
340 HA LEU 44 HA LEU 44 -7.894 -2.574 5.301
341 HB2 LEU 44 HB2 LEU 44 -7.160 -5.372 6.197
342 HB3 LEU 44 HB1 LEU 44 -8.847 -4.993 5.918
343 HG LEU 44 HG LEU 44 -7.746 -6.103 3.970
344 HD11 LEU 44 HD11 LEU 44 -8.743 -3.299 3.417
345 HD12 LEU 44 HD12 LEU 44 -9.727 -4.754 3.607
346 HD13 LEU 44 HD13 LEU 44 -8.625 -4.612 2.241
347 HD21 LEU 44 HD21 LEU 44 -5.502 -5.108 4.193
348 HD22 LEU 44 HD22 LEU 44 -6.138 -3.547 3.667
349 HD23 LEU 44 HD23 LEU 44 -6.157 -4.933 2.567
350 H TYR 45 HN TYR 45 -8.927 -1.166 6.624
351 HA TYR 45 HA TYR 45 -9.298 -1.341 9.408
352 HB2 TYR 45 HB2 TYR 45 -10.881 0.110 7.250
353 HB3 TYR 45 HB1 TYR 45 -11.268 0.260 8.957
354 HD1 TYR 45 HD1 TYR 45 -9.093 0.841 10.479
355 HD2 TYR 45 HD2 TYR 45 -9.564 1.847 6.346
356 HE1 TYR 45 HE1 TYR 45 -7.509 2.698 10.751
357 HE2 TYR 45 HE2 TYR 45 -7.976 3.695 6.620
358 HH TYR 45 HH TYR 45 -7.062 5.103 8.348
359 H THR 46 HN THR 46 -11.251 -1.779 10.588
360 HA THR 46 HA THR 46 -12.291 -4.377 9.985
361 HB THR 46 HB THR 46 -13.460 -4.132 12.207
362 HG1 THR 46 HG1 THR 46 -13.524 -2.235 13.203
363 HG21 THR 46 HG21 THR 46 -11.115 -4.946 12.129
364 HG22 THR 46 HG22 THR 46 -11.417 -4.001 13.588
365 HG23 THR 46 HG23 THR 46 -10.534 -3.282 12.239
366 H ASP 47 HN ASP 47 -13.479 -1.151 9.457
367 HA ASP 47 HA ASP 47 -16.275 -1.858 9.185
368 HB2 ASP 47 HB2 ASP 47 -16.628 0.397 8.398
369 HB3 ASP 47 HB1 ASP 47 -15.471 0.486 9.716
370 H GLY 48 HN GLY 48 -13.497 -2.281 7.251
371 HA2 GLY 48 HA2 GLY 48 -13.705 -3.846 5.404
372 HA3 GLY 48 HA1 GLY 48 -15.130 -2.976 4.865
373 H ARG 49 HN ARG 49 -13.381 -0.449 5.722
374 HA ARG 49 HA ARG 49 -12.515 0.194 3.074
375 HB2 ARG 49 HB2 ARG 49 -13.267 1.934 4.718
376 HB3 ARG 49 HB1 ARG 49 -11.832 1.624 5.691
377 HG2 ARG 49 HG2 ARG 49 -10.400 2.363 3.798
378 HG3 ARG 49 HG1 ARG 49 -11.839 2.692 2.840
379 HD2 ARG 49 HD2 ARG 49 -12.501 4.439 4.456
380 HD3 ARG 49 HD1 ARG 49 -11.056 4.100 5.417
381 HE ARG 49 HE ARG 49 -11.202 5.492 2.850
382 HH11 ARG 49 HH11 ARG 49 -7.681 4.928 4.717
383 HH12 ARG 49 HH12 ARG 49 -9.079 4.070 5.261
384 HH21 ARG 49 HH21 ARG 49 -7.839 6.370 2.957
385 HH22 ARG 49 HH22 ARG 49 -9.356 6.613 2.156
386 H VAL 50 HN VAL 50 -10.442 0.349 2.230
387 HA VAL 50 HA VAL 50 -8.274 -1.138 3.564
388 HB VAL 50 HB VAL 50 -7.333 -1.557 1.455
389 HG11 VAL 50 HG11 VAL 50 -9.538 -2.655 1.580
390 HG12 VAL 50 HG12 VAL 50 -9.102 -2.285 -0.084
391 HG13 VAL 50 HG13 VAL 50 -10.283 -1.281 0.762
392 HG21 VAL 50 HG21 VAL 50 -7.739 -0.257 -0.627
393 HG22 VAL 50 HG22 VAL 50 -7.063 0.740 0.662
394 HG23 VAL 50 HG23 VAL 50 -8.782 0.848 0.282
395 H GLU 51 HN GLU 51 -6.081 -0.154 3.502
396 HA GLU 51 HA GLU 51 -5.795 2.685 2.974
397 HB2 GLU 51 HB2 GLU 51 -6.754 2.706 5.242
398 HB3 GLU 51 HB1 GLU 51 -5.521 1.585 5.801
399 HG2 GLU 51 HG2 GLU 51 -5.006 3.844 6.557
400 HG3 GLU 51 HG1 GLU 51 -3.783 3.301 5.409
401 H CYS 52 HN CYS 52 -3.841 2.836 2.024
402 HA CYS 52 HA CYS 52 -1.580 1.301 3.104
403 HB2 CYS 52 HB2 CYS 52 -1.848 1.270 0.603
404 HB3 CYS 52 HB1 CYS 52 -1.602 3.016 0.593
405 HG CYS 52 HG CYS 52 0.727 0.910 1.925
406 H ARG 53 HN ARG 53 -1.115 2.394 4.963
407 HA ARG 53 HA ARG 53 -1.227 5.239 5.255
408 HB2 ARG 53 HB2 ARG 53 -1.495 3.356 7.080
409 HB3 ARG 53 HB1 ARG 53 0.257 3.381 7.166
410 HG2 ARG 53 HG2 ARG 53 -1.438 5.861 7.612
411 HG3 ARG 53 HG1 ARG 53 -1.025 4.752 8.912
412 HD2 ARG 53 HD2 ARG 53 1.370 5.228 8.580
413 HD3 ARG 53 HD1 ARG 53 0.979 6.299 7.232
414 HE ARG 53 HE ARG 53 -0.148 7.762 8.811
415 HH11 ARG 53 HH11 ARG 53 2.276 6.345 11.685
416 HH12 ARG 53 HH12 ARG 53 2.037 5.409 10.245
417 HH21 ARG 53 HH21 ARG 53 0.194 8.968 10.683
418 HH22 ARG 53 HH22 ARG 53 1.232 8.354 11.930
419 H GLU 54 HN GLU 54 1.228 2.899 4.432
420 HA GLU 54 HA GLU 54 3.560 4.455 4.630
421 HB2 GLU 54 HB2 GLU 54 3.393 1.932 4.281
422 HB3 GLU 54 HB1 GLU 54 3.108 2.276 2.576
423 HG2 GLU 54 HG2 GLU 54 5.463 1.731 2.985
424 HG3 GLU 54 HG1 GLU 54 5.288 3.390 2.413
425 H LEU 55 HN LEU 55 1.078 4.271 2.163
426 HA LEU 55 HA LEU 55 2.531 6.061 0.374
427 HB2 LEU 55 HB2 LEU 55 1.366 3.936 -0.473
428 HB3 LEU 55 HB1 LEU 55 -0.158 4.742 -0.176
429 HG LEU 55 HG LEU 55 0.762 4.774 -2.602
430 HD11 LEU 55 HD11 LEU 55 -0.042 7.009 -3.104
431 HD12 LEU 55 HD12 LEU 55 0.056 7.455 -1.399
432 HD13 LEU 55 HD13 LEU 55 -1.090 6.222 -1.925
433 HD21 LEU 55 HD21 LEU 55 2.437 6.421 -3.173
434 HD22 LEU 55 HD22 LEU 55 3.098 5.333 -1.961
435 HD23 LEU 55 HD23 LEU 55 2.567 6.946 -1.493
436 H ARG 56 HN ARG 56 2.411 7.910 1.504
437 HA ARG 56 HA ARG 56 -0.028 9.240 2.236
438 HB2 ARG 56 HB2 ARG 56 2.795 10.314 1.774
439 HB3 ARG 56 HB1 ARG 56 1.452 11.316 2.302
440 HG2 ARG 56 HG2 ARG 56 2.664 10.827 4.267
441 HG3 ARG 56 HG1 ARG 56 1.243 9.789 4.325
442 HD2 ARG 56 HD2 ARG 56 2.648 7.885 3.507
443 HD3 ARG 56 HD1 ARG 56 4.062 8.950 3.557
444 HE ARG 56 HE ARG 56 2.818 9.006 6.067
445 HH11 ARG 56 HH11 ARG 56 4.624 6.718 4.088
446 HH12 ARG 56 HH12 ARG 56 5.223 5.839 5.457
447 HH21 ARG 56 HH21 ARG 56 4.625 6.466 7.568
448 HH22 ARG 56 HH22 ARG 56 3.579 7.823 7.821
449 HA PRO 57 HA PRO 57 -1.193 10.906 -1.871
450 HB2 PRO 57 HB2 PRO 57 -1.911 13.435 -0.405
451 HB3 PRO 57 HB1 PRO 57 -2.914 12.423 -1.469
452 HG2 PRO 57 HG2 PRO 57 -3.307 12.394 1.167
453 HG3 PRO 57 HG1 PRO 57 -3.424 10.899 0.212
454 HD2 PRO 57 HD2 PRO 57 -1.154 11.833 1.968
455 HD3 PRO 57 HD1 PRO 57 -1.857 10.205 1.798
456 H ASP 58 HN ASP 58 0.884 12.564 0.370
457 HA ASP 58 HA ASP 58 1.570 14.886 -1.082
458 HB2 ASP 58 HB2 ASP 58 3.265 13.510 1.046
459 HB3 ASP 58 HB1 ASP 58 3.294 15.217 0.612
460 H VAL 59 HN VAL 59 2.723 11.644 -1.200
461 HA VAL 59 HA VAL 59 5.186 11.666 -2.385
462 HB VAL 59 HB VAL 59 2.773 9.853 -2.860
463 HG11 VAL 59 HG11 VAL 59 5.653 9.298 -3.693
464 HG12 VAL 59 HG12 VAL 59 4.294 9.571 -4.780
465 HG13 VAL 59 HG13 VAL 59 4.326 8.138 -3.757
466 HG21 VAL 59 HG21 VAL 59 5.237 9.496 -1.100
467 HG22 VAL 59 HG22 VAL 59 3.936 8.317 -1.288
468 HG23 VAL 59 HG23 VAL 59 3.606 9.882 -0.542
469 H PHE 60 HN PHE 60 2.031 11.993 -4.085
470 HA PHE 60 HA PHE 60 3.410 13.236 -6.402
471 HB2 PHE 60 HB2 PHE 60 1.405 10.955 -6.433
472 HB3 PHE 60 HB1 PHE 60 1.394 12.100 -7.770
473 HD1 PHE 60 HD1 PHE 60 3.440 12.359 -9.215
474 HD2 PHE 60 HD2 PHE 60 3.166 9.293 -6.253
475 HE1 PHE 60 HE1 PHE 60 5.280 11.142 -10.296
476 HE2 PHE 60 HE2 PHE 60 5.000 8.084 -7.343
477 HZ PHE 60 HZ PHE 60 6.062 9.000 -9.364
478 H GLY 61 HN GLY 61 1.734 14.178 -3.966
479 HA2 GLY 61 HA2 GLY 61 0.253 15.865 -3.490
480 HA3 GLY 61 HA1 GLY 61 0.574 16.460 -5.114
481 H ALA 62 HN ALA 62 -0.996 13.573 -3.820
482 HA ALA 62 HA ALA 62 -2.828 13.417 -6.027
483 HB1 ALA 62 HB1 ALA 62 -1.674 11.439 -5.129
484 HB2 ALA 62 HB2 ALA 62 -3.423 11.257 -5.037
485 HB3 ALA 62 HB3 ALA 62 -2.506 11.640 -3.579
Start of MODEL 15
1 H1 MET 1 HT1 MET 1 -6.860 -0.311 11.867
2 H2 MET 1 HT2 MET 1 -5.795 -1.406 12.588
3 H3 MET 1 HT3 MET 1 -7.340 -1.909 12.138
4 HA MET 1 HA MET 1 -6.827 -1.575 9.826
5 HB2 MET 1 HB2 MET 1 -4.507 -1.053 9.120
6 HB3 MET 1 HB1 MET 1 -5.188 0.254 10.077
7 HG2 MET 1 HG2 MET 1 -3.908 -0.516 12.045
8 HG3 MET 1 HG1 MET 1 -3.222 -1.828 11.084
9 HE1 MET 1 HE1 MET 1 -1.449 0.295 12.750
10 HE2 MET 1 HE2 MET 1 -0.179 0.663 11.583
11 HE3 MET 1 HE3 MET 1 -0.725 -1.000 11.793
12 H LYS 2 HN LYS 2 -5.924 -3.287 8.574
13 HA LYS 2 HA LYS 2 -4.432 -5.421 10.006
14 HB2 LYS 2 HB2 LYS 2 -6.453 -5.789 7.732
15 HB3 LYS 2 HB1 LYS 2 -5.511 -7.073 8.491
16 HG2 LYS 2 HG2 LYS 2 -6.664 -6.492 10.681
17 HG3 LYS 2 HG1 LYS 2 -7.698 -5.405 9.754
18 HD2 LYS 2 HD2 LYS 2 -8.869 -7.503 10.092
19 HD3 LYS 2 HD1 LYS 2 -8.467 -7.345 8.381
20 HE2 LYS 2 HE2 LYS 2 -6.533 -8.858 8.707
21 HE3 LYS 2 HE1 LYS 2 -6.952 -9.018 10.415
22 HZ1 LYS 2 HZ1 LYS 2 -9.063 -9.997 9.769
23 HZ2 LYS 2 HZ2 LYS 2 -7.774 -10.878 9.122
24 HZ3 LYS 2 HZ3 LYS 2 -8.669 -9.843 8.129
25 H LYS 3 HN LYS 3 -3.068 -6.712 8.418
26 HA LYS 3 HA LYS 3 -1.834 -4.847 6.472
27 HB2 LYS 3 HB2 LYS 3 -0.495 -6.867 8.315
28 HB3 LYS 3 HB1 LYS 3 0.343 -6.039 7.004
29 HG2 LYS 3 HG2 LYS 3 -0.993 -4.690 9.367
30 HG3 LYS 3 HG1 LYS 3 0.742 -4.956 9.179
31 HD2 LYS 3 HD2 LYS 3 0.817 -3.466 7.258
32 HD3 LYS 3 HD1 LYS 3 -0.940 -3.311 7.254
33 HE2 LYS 3 HE2 LYS 3 -0.898 -2.096 9.340
34 HE3 LYS 3 HE1 LYS 3 0.832 -2.399 9.531
35 HZ1 LYS 3 HZ1 LYS 3 0.242 -0.149 8.682
36 HZ2 LYS 3 HZ2 LYS 3 -0.302 -0.876 7.253
37 HZ3 LYS 3 HZ3 LYS 3 1.316 -1.001 7.705
38 H ILE 4 HN ILE 4 -1.653 -5.429 4.486
39 HA ILE 4 HA ILE 4 -1.627 -8.273 3.656
40 HB ILE 4 HB ILE 4 -2.671 -5.907 2.043
41 HG12 ILE 4 HG12 ILE 4 -4.228 -8.046 3.543
42 HG13 ILE 4 HG11 ILE 4 -4.286 -6.305 3.804
43 HG21 ILE 4 HG21 ILE 4 -1.747 -7.687 0.615
44 HG22 ILE 4 HG22 ILE 4 -3.485 -7.503 0.389
45 HG23 ILE 4 HG23 ILE 4 -2.854 -8.849 1.347
46 HD11 ILE 4 HD11 ILE 4 -5.293 -7.798 1.401
47 HD12 ILE 4 HD12 ILE 4 -5.290 -6.039 1.573
48 HD13 ILE 4 HD13 ILE 4 -6.252 -7.033 2.666
49 HA PRO 5 HA PRO 5 2.349 -6.974 1.754
50 HB2 PRO 5 HB2 PRO 5 2.013 -9.396 0.015
51 HB3 PRO 5 HB1 PRO 5 3.304 -9.025 1.178
52 HG2 PRO 5 HG2 PRO 5 1.506 -10.946 1.687
53 HG3 PRO 5 HG1 PRO 5 2.126 -9.899 2.991
54 HD2 PRO 5 HD2 PRO 5 -0.483 -9.648 1.462
55 HD3 PRO 5 HD1 PRO 5 -0.220 -9.566 3.215
56 H LEU 6 HN LEU 6 2.797 -5.806 -0.151
57 HA LEU 6 HA LEU 6 0.733 -4.556 -1.492
58 HB2 LEU 6 HB2 LEU 6 3.086 -3.727 -1.312
59 HB3 LEU 6 HB1 LEU 6 3.575 -4.911 -2.508
60 HG LEU 6 HG LEU 6 2.107 -3.768 -4.190
61 HD11 LEU 6 HD11 LEU 6 0.471 -2.746 -2.706
62 HD12 LEU 6 HD12 LEU 6 1.234 -1.528 -3.723
63 HD13 LEU 6 HD13 LEU 6 1.709 -1.681 -2.028
64 HD21 LEU 6 HD21 LEU 6 4.194 -1.977 -2.907
65 HD22 LEU 6 HD22 LEU 6 3.572 -1.835 -4.553
66 HD23 LEU 6 HD23 LEU 6 4.503 -3.254 -4.085
67 H SER 7 HN SER 7 2.872 -7.091 -2.691
68 HA SER 7 HA SER 7 1.862 -7.452 -5.253
69 HB2 SER 7 HB2 SER 7 2.993 -9.704 -5.080
70 HB3 SER 7 HB1 SER 7 4.006 -8.357 -4.565
71 HG SER 7 HG SER 7 3.478 -10.496 -3.192
72 H LYS 8 HN LYS 8 0.983 -9.160 -2.232
73 HA LYS 8 HA LYS 8 -0.958 -10.893 -3.365
74 HB2 LYS 8 HB2 LYS 8 -0.124 -10.120 -0.599
75 HB3 LYS 8 HB1 LYS 8 -1.728 -10.819 -0.745
76 HG2 LYS 8 HG2 LYS 8 0.791 -12.157 -1.779
77 HG3 LYS 8 HG1 LYS 8 0.078 -12.457 -0.191
78 HD2 LYS 8 HD2 LYS 8 -2.013 -13.230 -1.273
79 HD3 LYS 8 HD1 LYS 8 -1.303 -12.935 -2.861
80 HE2 LYS 8 HE2 LYS 8 0.337 -14.682 -2.521
81 HE3 LYS 8 HE1 LYS 8 -0.150 -14.880 -0.837
82 HZ1 LYS 8 HZ1 LYS 8 -2.272 -15.731 -1.542
83 HZ2 LYS 8 HZ2 LYS 8 -1.053 -16.602 -2.329
84 HZ3 LYS 8 HZ3 LYS 8 -1.918 -15.420 -3.165
85 H TYR 9 HN TYR 9 -1.223 -7.605 -2.116
86 HA TYR 9 HA TYR 9 -4.085 -7.502 -2.126
87 HB2 TYR 9 HB2 TYR 9 -2.709 -5.816 -0.874
88 HB3 TYR 9 HB1 TYR 9 -2.118 -5.168 -2.397
89 HD1 TYR 9 HD1 TYR 9 -5.045 -5.414 -0.148
90 HD2 TYR 9 HD2 TYR 9 -3.601 -3.791 -3.838
91 HE1 TYR 9 HE1 TYR 9 -7.032 -4.003 -0.309
92 HE2 TYR 9 HE2 TYR 9 -5.597 -2.369 -3.989
93 HH TYR 9 HH TYR 9 -7.883 -2.337 -3.175
94 H LEU 10 HN LEU 10 -1.542 -6.645 -4.435
95 HA LEU 10 HA LEU 10 -3.264 -5.486 -6.386
96 HB2 LEU 10 HB2 LEU 10 -0.359 -6.359 -6.535
97 HB3 LEU 10 HB1 LEU 10 -1.183 -5.454 -7.795
98 HG LEU 10 HG LEU 10 -0.627 -4.475 -4.969
99 HD11 LEU 10 HD11 LEU 10 1.383 -4.519 -6.339
100 HD12 LEU 10 HD12 LEU 10 0.882 -2.859 -6.032
101 HD13 LEU 10 HD13 LEU 10 0.575 -3.593 -7.609
102 HD21 LEU 10 HD21 LEU 10 -2.085 -3.094 -7.234
103 HD22 LEU 10 HD22 LEU 10 -1.522 -2.292 -5.767
104 HD23 LEU 10 HD23 LEU 10 -2.737 -3.561 -5.661
105 H GLU 11 HN GLU 11 -2.281 -8.777 -5.806
106 HA GLU 11 HA GLU 11 -3.204 -9.652 -8.453
107 HB2 GLU 11 HB2 GLU 11 -2.312 -11.346 -6.065
108 HB3 GLU 11 HB1 GLU 11 -2.622 -11.933 -7.694
109 HG2 GLU 11 HG2 GLU 11 -0.360 -10.154 -6.770
110 HG3 GLU 11 HG1 GLU 11 -0.249 -11.786 -7.411
111 H GLU 12 HN GLU 12 -4.130 -10.075 -5.008
112 HA GLU 12 HA GLU 12 -6.467 -11.645 -5.839
113 HB2 GLU 12 HB2 GLU 12 -5.405 -11.219 -3.016
114 HB3 GLU 12 HB1 GLU 12 -6.565 -12.434 -3.533
115 HG2 GLU 12 HG2 GLU 12 -3.630 -12.325 -4.314
116 HG3 GLU 12 HG1 GLU 12 -4.343 -13.405 -3.122
117 H HIS 13 HN HIS 13 -5.768 -8.786 -3.770
118 HA HIS 13 HA HIS 13 -8.590 -8.611 -2.965
119 HB2 HIS 13 HB2 HIS 13 -6.104 -7.186 -1.943
120 HB3 HIS 13 HB1 HIS 13 -7.724 -6.900 -1.306
121 HD1 HIS 13 HD1 HIS 13 -8.412 -8.357 0.575
122 HD2 HIS 13 HD2 HIS 13 -5.197 -9.970 -1.516
123 HE1 HIS 13 HE1 HIS 13 -7.662 -10.336 1.918
124 HE2 HIS 13 HE2 HIS 13 -5.860 -11.406 0.525
125 H GLY 14 HN GLY 14 -6.682 -7.169 -5.351
126 HA2 GLY 14 HA2 GLY 14 -8.621 -5.551 -6.457
127 HA3 GLY 14 HA1 GLY 14 -7.775 -4.497 -5.323
128 H THR 15 HN THR 15 -7.670 -3.751 -7.888
129 HA THR 15 HA THR 15 -5.146 -4.654 -9.098
130 HB THR 15 HB THR 15 -5.772 -2.969 -10.901
131 HG1 THR 15 HG1 THR 15 -8.391 -2.819 -9.975
132 HG21 THR 15 HG21 THR 15 -7.904 -5.042 -10.278
133 HG22 THR 15 HG22 THR 15 -6.395 -5.351 -11.138
134 HG23 THR 15 HG23 THR 15 -7.616 -4.295 -11.850
135 H GLN 16 HN GLN 16 -3.784 -2.713 -10.015
136 HA GLN 16 HA GLN 16 -2.790 -1.114 -7.856
137 HB2 GLN 16 HB2 GLN 16 -2.193 -0.898 -10.845
138 HB3 GLN 16 HB1 GLN 16 -1.328 -0.026 -9.586
139 HG2 GLN 16 HG2 GLN 16 0.087 -1.807 -10.143
140 HG3 GLN 16 HG1 GLN 16 -0.681 -2.321 -8.646
141 HE21 GLN 16 HE21 GLN 16 -2.186 -4.058 -8.738
142 HE22 GLN 16 HE22 GLN 16 -2.249 -5.123 -10.096
143 H SER 17 HN SER 17 -5.006 -0.640 -10.496
144 HA SER 17 HA SER 17 -5.426 2.163 -10.327
145 HB2 SER 17 HB2 SER 17 -7.348 -0.004 -11.264
146 HB3 SER 17 HB1 SER 17 -7.407 1.706 -11.697
147 HG SER 17 HG SER 17 -5.804 1.432 -13.084
148 H ALA 18 HN ALA 18 -7.126 -0.649 -8.943
149 HA ALA 18 HA ALA 18 -9.125 0.665 -7.449
150 HB1 ALA 18 HB1 ALA 18 -9.127 -1.787 -7.907
151 HB2 ALA 18 HB2 ALA 18 -9.355 -1.418 -6.196
152 HB3 ALA 18 HB3 ALA 18 -7.782 -1.977 -6.775
153 H LEU 19 HN LEU 19 -5.807 -0.241 -6.711
154 HA LEU 19 HA LEU 19 -5.878 0.323 -3.937
155 HB2 LEU 19 HB2 LEU 19 -4.148 -1.151 -4.880
156 HB3 LEU 19 HB1 LEU 19 -3.501 0.171 -5.839
157 HG LEU 19 HG LEU 19 -2.761 1.334 -3.789
158 HD11 LEU 19 HD11 LEU 19 -2.864 0.285 -1.585
159 HD12 LEU 19 HD12 LEU 19 -3.831 -1.039 -2.239
160 HD13 LEU 19 HD13 LEU 19 -4.475 0.605 -2.221
161 HD21 LEU 19 HD21 LEU 19 -1.794 -1.540 -3.841
162 HD22 LEU 19 HD22 LEU 19 -0.953 -0.166 -3.116
163 HD23 LEU 19 HD23 LEU 19 -1.199 -0.226 -4.859
164 H ALA 20 HN ALA 20 -4.499 2.111 -6.697
165 HA ALA 20 HA ALA 20 -3.854 4.542 -5.395
166 HB1 ALA 20 HB1 ALA 20 -3.658 5.461 -7.669
167 HB2 ALA 20 HB2 ALA 20 -4.507 4.060 -8.334
168 HB3 ALA 20 HB3 ALA 20 -2.926 3.860 -7.577
169 H ALA 21 HN ALA 21 -6.930 3.333 -6.606
170 HA ALA 21 HA ALA 21 -8.362 5.823 -6.551
171 HB1 ALA 21 HB1 ALA 21 -10.386 4.425 -6.646
172 HB2 ALA 21 HB2 ALA 21 -9.424 2.984 -6.301
173 HB3 ALA 21 HB3 ALA 21 -9.184 3.866 -7.809
174 H ALA 22 HN ALA 22 -7.875 3.167 -4.235
175 HA ALA 22 HA ALA 22 -9.414 4.267 -2.087
176 HB1 ALA 22 HB1 ALA 22 -7.235 2.148 -2.008
177 HB2 ALA 22 HB2 ALA 22 -8.950 1.853 -2.289
178 HB3 ALA 22 HB3 ALA 22 -8.415 2.478 -0.730
179 H LEU 23 HN LEU 23 -6.077 4.576 -3.110
180 HA LEU 23 HA LEU 23 -5.179 5.961 -0.704
181 HB2 LEU 23 HB2 LEU 23 -3.731 5.602 -3.363
182 HB3 LEU 23 HB1 LEU 23 -3.015 6.142 -1.853
183 HG LEU 23 HG LEU 23 -4.007 3.353 -2.522
184 HD11 LEU 23 HD11 LEU 23 -1.816 3.870 -3.436
185 HD12 LEU 23 HD12 LEU 23 -1.696 2.661 -2.162
186 HD13 LEU 23 HD13 LEU 23 -1.233 4.333 -1.835
187 HD21 LEU 23 HD21 LEU 23 -4.657 3.796 -0.236
188 HD22 LEU 23 HD22 LEU 23 -3.023 4.336 0.157
189 HD23 LEU 23 HD23 LEU 23 -3.318 2.650 -0.276
190 H GLY 24 HN GLY 24 -6.632 6.727 -3.728
191 HA2 GLY 24 HA2 GLY 24 -7.360 8.686 -4.663
192 HA3 GLY 24 HA1 GLY 24 -6.847 9.527 -3.208
193 H VAL 25 HN VAL 25 -4.658 7.568 -5.117
194 HA VAL 25 HA VAL 25 -3.151 9.952 -6.023
195 HB VAL 25 HB VAL 25 -1.066 8.755 -5.667
196 HG11 VAL 25 HG11 VAL 25 -2.774 8.409 -3.192
197 HG12 VAL 25 HG12 VAL 25 -2.067 9.939 -3.730
198 HG13 VAL 25 HG13 VAL 25 -1.018 8.605 -3.249
199 HG21 VAL 25 HG21 VAL 25 -2.716 6.349 -4.780
200 HG22 VAL 25 HG22 VAL 25 -0.959 6.476 -4.651
201 HG23 VAL 25 HG23 VAL 25 -1.729 6.460 -6.238
202 H ASN 26 HN ASN 26 -1.442 9.173 -7.750
203 HA ASN 26 HA ASN 26 -2.812 7.784 -9.922
204 HB2 ASN 26 HB2 ASN 26 -0.011 9.006 -9.822
205 HB3 ASN 26 HB1 ASN 26 -0.824 8.416 -11.270
206 HD21 ASN 26 HD21 ASN 26 0.241 11.076 -10.682
207 HD22 ASN 26 HD22 ASN 26 -1.086 12.170 -10.840
208 H GLN 27 HN GLN 27 -1.918 5.954 -10.953
209 HA GLN 27 HA GLN 27 -0.750 3.899 -9.363
210 HB2 GLN 27 HB2 GLN 27 -1.095 4.110 -12.383
211 HB3 GLN 27 HB1 GLN 27 -0.624 2.640 -11.534
212 HG2 GLN 27 HG2 GLN 27 -2.772 2.564 -10.384
213 HG3 GLN 27 HG1 GLN 27 -3.244 4.098 -11.120
214 HE21 GLN 27 HE21 GLN 27 -2.592 0.707 -11.762
215 HE22 GLN 27 HE22 GLN 27 -3.405 0.641 -13.281
216 H SER 28 HN SER 28 0.609 6.481 -11.155
217 HA SER 28 HA SER 28 3.161 5.737 -11.822
218 HB2 SER 28 HB2 SER 28 2.515 8.374 -10.438
219 HB3 SER 28 HB1 SER 28 3.747 8.072 -11.666
220 HG SER 28 HG SER 28 1.955 7.543 -13.094
221 H ALA 29 HN ALA 29 1.964 6.764 -8.612
222 HA ALA 29 HA ALA 29 4.237 6.440 -6.982
223 HB1 ALA 29 HB1 ALA 29 1.315 5.865 -6.379
224 HB2 ALA 29 HB2 ALA 29 2.171 7.382 -6.122
225 HB3 ALA 29 HB3 ALA 29 2.611 5.977 -5.168
226 H ILE 30 HN ILE 30 1.672 4.049 -7.665
227 HA ILE 30 HA ILE 30 2.640 2.053 -5.949
228 HB ILE 30 HB ILE 30 0.928 1.576 -8.452
229 HG12 ILE 30 HG12 ILE 30 -0.115 3.383 -7.196
230 HG13 ILE 30 HG11 ILE 30 -1.063 1.923 -6.956
231 HG21 ILE 30 HG21 ILE 30 1.084 -0.021 -5.863
232 HG22 ILE 30 HG22 ILE 30 1.704 -0.518 -7.439
233 HG23 ILE 30 HG23 ILE 30 -0.031 -0.324 -7.198
234 HD11 ILE 30 HD11 ILE 30 0.843 3.194 -4.990
235 HD12 ILE 30 HD12 ILE 30 0.021 1.652 -4.737
236 HD13 ILE 30 HD13 ILE 30 -0.917 3.134 -4.904
237 H SER 31 HN SER 31 3.156 2.534 -9.425
238 HA SER 31 HA SER 31 4.591 0.124 -9.952
239 HB2 SER 31 HB2 SER 31 3.344 1.465 -11.665
240 HB3 SER 31 HB1 SER 31 4.570 2.727 -11.549
241 HG SER 31 HG SER 31 4.849 1.158 -13.293
242 H GLN 32 HN GLN 32 5.606 3.379 -8.941
243 HA GLN 32 HA GLN 32 8.447 2.927 -9.256
244 HB2 GLN 32 HB2 GLN 32 6.865 5.082 -7.795
245 HB3 GLN 32 HB1 GLN 32 8.626 5.068 -7.880
246 HG2 GLN 32 HG2 GLN 32 8.572 5.328 -10.300
247 HG3 GLN 32 HG1 GLN 32 6.816 5.148 -10.314
248 HE21 GLN 32 HE21 GLN 32 6.429 7.162 -11.265
249 HE22 GLN 32 HE22 GLN 32 6.708 8.658 -10.443
250 H MET 33 HN MET 33 6.118 2.620 -6.637
251 HA MET 33 HA MET 33 7.855 2.053 -4.451
252 HB2 MET 33 HB2 MET 33 5.010 1.064 -4.911
253 HB3 MET 33 HB1 MET 33 5.838 1.180 -3.361
254 HG2 MET 33 HG2 MET 33 5.833 3.639 -3.518
255 HG3 MET 33 HG1 MET 33 5.157 3.539 -5.123
256 HE1 MET 33 HE1 MET 33 3.983 1.098 -2.282
257 HE2 MET 33 HE2 MET 33 2.875 2.147 -1.395
258 HE3 MET 33 HE3 MET 33 4.603 2.515 -1.435
259 H VAL 34 HN VAL 34 6.324 0.107 -6.936
260 HA VAL 34 HA VAL 34 7.385 -2.458 -6.181
261 HB VAL 34 HB VAL 34 5.985 -1.404 -8.686
262 HG11 VAL 34 HG11 VAL 34 6.723 -4.305 -8.161
263 HG12 VAL 34 HG12 VAL 34 7.423 -3.261 -9.401
264 HG13 VAL 34 HG13 VAL 34 5.720 -3.702 -9.486
265 HG21 VAL 34 HG21 VAL 34 4.055 -2.691 -7.891
266 HG22 VAL 34 HG22 VAL 34 4.589 -1.560 -6.650
267 HG23 VAL 34 HG23 VAL 34 4.980 -3.275 -6.505
268 H ARG 35 HN ARG 35 8.409 0.185 -8.302
269 HA ARG 35 HA ARG 35 10.383 -1.183 -9.829
270 HB2 ARG 35 HB2 ARG 35 9.285 1.045 -10.391
271 HB3 ARG 35 HB1 ARG 35 10.313 1.804 -9.193
272 HG2 ARG 35 HG2 ARG 35 11.533 0.267 -11.500
273 HG3 ARG 35 HG1 ARG 35 10.950 1.909 -11.736
274 HD2 ARG 35 HD2 ARG 35 12.527 2.765 -10.098
275 HD3 ARG 35 HD1 ARG 35 13.036 1.130 -9.668
276 HE ARG 35 HE ARG 35 13.403 2.070 -12.433
277 HH11 ARG 35 HH11 ARG 35 16.495 1.082 -10.035
278 HH12 ARG 35 HH12 ARG 35 14.902 1.192 -9.363
279 HH21 ARG 35 HH21 ARG 35 16.826 1.476 -12.282
280 HH22 ARG 35 HH22 ARG 35 15.488 1.886 -13.308
281 H ALA 36 HN ALA 36 10.403 0.373 -6.705
282 HA ALA 36 HA ALA 36 13.227 0.333 -6.233
283 HB1 ALA 36 HB1 ALA 36 11.711 1.858 -5.030
284 HB2 ALA 36 HB2 ALA 36 12.616 0.852 -3.900
285 HB3 ALA 36 HB3 ALA 36 10.925 0.485 -4.248
286 H GLY 37 HN GLY 37 10.996 -2.183 -6.439
287 HA2 GLY 37 HA2 GLY 37 11.244 -4.460 -6.181
288 HA3 GLY 37 HA1 GLY 37 12.841 -4.185 -5.500
289 H ARG 38 HN ARG 38 10.085 -2.529 -4.211
290 HA ARG 38 HA ARG 38 10.451 -3.944 -1.653
291 HB2 ARG 38 HB2 ARG 38 9.299 -1.179 -2.200
292 HB3 ARG 38 HB1 ARG 38 9.557 -1.886 -0.615
293 HG2 ARG 38 HG2 ARG 38 11.754 -1.183 -2.587
294 HG3 ARG 38 HG1 ARG 38 11.258 -0.180 -1.227
295 HD2 ARG 38 HD2 ARG 38 13.242 -1.326 -0.568
296 HD3 ARG 38 HD1 ARG 38 11.912 -2.091 0.302
297 HE ARG 38 HE ARG 38 12.658 -3.372 -2.186
298 HH11 ARG 38 HH11 ARG 38 13.959 -4.927 1.301
299 HH12 ARG 38 HH12 ARG 38 13.325 -3.310 1.281
300 HH21 ARG 38 HH21 ARG 38 13.405 -5.526 -2.106
301 HH22 ARG 38 HH22 ARG 38 14.003 -6.174 -0.606
302 H CYS 39 HN CYS 39 8.907 -5.455 -1.282
303 HA CYS 39 HA CYS 39 6.137 -5.146 -2.066
304 HB2 CYS 39 HB2 CYS 39 7.200 -7.403 -1.773
305 HB3 CYS 39 HB1 CYS 39 7.362 -7.085 -0.049
306 HG CYS 39 HG CYS 39 4.959 -8.574 -1.501
307 H ILE 40 HN ILE 40 4.875 -3.749 -1.065
308 HA ILE 40 HA ILE 40 5.685 -2.510 1.470
309 HB ILE 40 HB ILE 40 3.581 -1.651 -0.582
310 HG12 ILE 40 HG12 ILE 40 5.863 -1.664 -1.576
311 HG13 ILE 40 HG11 ILE 40 5.198 -0.043 -1.462
312 HG21 ILE 40 HG21 ILE 40 3.721 0.568 0.502
313 HG22 ILE 40 HG22 ILE 40 4.779 -0.109 1.740
314 HG23 ILE 40 HG23 ILE 40 3.116 -0.682 1.590
315 HD11 ILE 40 HD11 ILE 40 7.524 -0.021 -0.922
316 HD12 ILE 40 HD12 ILE 40 7.300 -1.260 0.315
317 HD13 ILE 40 HD13 ILE 40 6.600 0.347 0.534
318 H ASP 41 HN ASP 41 4.311 -2.444 3.263
319 HA ASP 41 HA ASP 41 2.168 -4.397 3.376
320 HB2 ASP 41 HB2 ASP 41 2.143 -3.962 5.780
321 HB3 ASP 41 HB1 ASP 41 3.787 -4.239 5.223
322 H ILE 42 HN ILE 42 0.038 -3.973 3.834
323 HA ILE 42 HA ILE 42 -0.965 -1.337 2.904
324 HB ILE 42 HB ILE 42 -1.847 -4.183 2.224
325 HG12 ILE 42 HG12 ILE 42 0.036 -3.318 0.864
326 HG13 ILE 42 HG11 ILE 42 -1.398 -3.576 -0.117
327 HG21 ILE 42 HG21 ILE 42 -3.338 -1.643 1.528
328 HG22 ILE 42 HG22 ILE 42 -3.897 -2.945 2.577
329 HG23 ILE 42 HG23 ILE 42 -3.681 -3.234 0.849
330 HD11 ILE 42 HD11 ILE 42 -1.835 -1.155 -0.100
331 HD12 ILE 42 HD12 ILE 42 -0.251 -1.546 -0.766
332 HD13 ILE 42 HD13 ILE 42 -0.380 -0.909 0.872
333 H GLU 43 HN GLU 43 -2.111 -0.349 4.497
334 HA GLU 43 HA GLU 43 -3.404 -1.786 6.650
335 HB2 GLU 43 HB2 GLU 43 -3.784 1.141 5.848
336 HB3 GLU 43 HB1 GLU 43 -4.326 0.396 7.344
337 HG2 GLU 43 HG2 GLU 43 -2.429 1.546 8.008
338 HG3 GLU 43 HG1 GLU 43 -1.834 -0.092 7.781
339 H LEU 44 HN LEU 44 -4.917 -3.185 5.761
340 HA LEU 44 HA LEU 44 -7.121 -2.145 4.150
341 HB2 LEU 44 HB2 LEU 44 -6.221 -4.481 3.806
342 HB3 LEU 44 HB1 LEU 44 -6.803 -4.903 5.409
343 HG LEU 44 HG LEU 44 -9.151 -4.417 4.664
344 HD11 LEU 44 HD11 LEU 44 -8.682 -2.808 2.884
345 HD12 LEU 44 HD12 LEU 44 -9.657 -4.147 2.286
346 HD13 LEU 44 HD13 LEU 44 -7.933 -4.080 1.912
347 HD21 LEU 44 HD21 LEU 44 -8.260 -6.728 4.569
348 HD22 LEU 44 HD22 LEU 44 -7.762 -6.453 2.895
349 HD23 LEU 44 HD23 LEU 44 -9.475 -6.419 3.329
350 H TYR 45 HN TYR 45 -8.918 -1.302 5.030
351 HA TYR 45 HA TYR 45 -9.427 -1.494 7.939
352 HB2 TYR 45 HB2 TYR 45 -10.325 0.550 5.855
353 HB3 TYR 45 HB1 TYR 45 -10.835 0.574 7.544
354 HD1 TYR 45 HD1 TYR 45 -9.221 1.147 9.336
355 HD2 TYR 45 HD2 TYR 45 -8.030 1.234 5.233
356 HE1 TYR 45 HE1 TYR 45 -7.181 2.365 9.950
357 HE2 TYR 45 HE2 TYR 45 -5.990 2.461 5.852
358 HH TYR 45 HH TYR 45 -5.156 3.868 7.675
359 H THR 46 HN THR 46 -11.697 -1.540 8.592
360 HA THR 46 HA THR 46 -12.819 -3.970 7.793
361 HB THR 46 HB THR 46 -14.064 -1.765 9.492
362 HG1 THR 46 HG1 THR 46 -12.399 -3.982 10.197
363 HG21 THR 46 HG21 THR 46 -14.676 -4.752 9.445
364 HG22 THR 46 HG22 THR 46 -15.756 -3.462 8.917
365 HG23 THR 46 HG23 THR 46 -15.314 -3.595 10.618
366 H ASP 47 HN ASP 47 -13.679 -0.686 6.857
367 HA ASP 47 HA ASP 47 -16.231 -1.368 5.655
368 HB2 ASP 47 HB2 ASP 47 -16.415 0.995 5.130
369 HB3 ASP 47 HB1 ASP 47 -15.802 0.833 6.771
370 H GLY 48 HN GLY 48 -13.023 -1.569 4.647
371 HA2 GLY 48 HA2 GLY 48 -12.490 -2.622 2.546
372 HA3 GLY 48 HA1 GLY 48 -13.783 -1.706 1.784
373 H ARG 49 HN ARG 49 -12.519 0.564 3.725
374 HA ARG 49 HA ARG 49 -11.071 1.955 1.741
375 HB2 ARG 49 HB2 ARG 49 -12.097 3.172 3.604
376 HB3 ARG 49 HB1 ARG 49 -11.083 2.332 4.773
377 HG2 ARG 49 HG2 ARG 49 -9.076 3.454 3.849
378 HG3 ARG 49 HG1 ARG 49 -10.082 4.276 2.655
379 HD2 ARG 49 HD2 ARG 49 -10.320 4.619 5.663
380 HD3 ARG 49 HD1 ARG 49 -9.467 5.721 4.579
381 HE ARG 49 HE ARG 49 -12.250 5.255 3.911
382 HH11 ARG 49 HH11 ARG 49 -11.145 8.677 5.738
383 HH12 ARG 49 HH12 ARG 49 -10.029 7.349 5.683
384 HH21 ARG 49 HH21 ARG 49 -13.229 8.473 4.797
385 HH22 ARG 49 HH22 ARG 49 -13.698 6.993 4.025
386 H VAL 50 HN VAL 50 -8.873 2.206 1.374
387 HA VAL 50 HA VAL 50 -6.985 0.561 2.954
388 HB VAL 50 HB VAL 50 -7.027 0.867 -0.089
389 HG11 VAL 50 HG11 VAL 50 -4.717 0.958 0.652
390 HG12 VAL 50 HG12 VAL 50 -5.024 -0.617 -0.080
391 HG13 VAL 50 HG13 VAL 50 -4.944 -0.461 1.677
392 HG21 VAL 50 HG21 VAL 50 -8.627 -0.800 0.755
393 HG22 VAL 50 HG22 VAL 50 -7.334 -1.607 1.645
394 HG23 VAL 50 HG23 VAL 50 -7.307 -1.578 -0.120
395 H GLU 51 HN GLU 51 -5.369 1.693 3.737
396 HA GLU 51 HA GLU 51 -4.207 3.923 2.170
397 HB2 GLU 51 HB2 GLU 51 -4.328 3.651 5.208
398 HB3 GLU 51 HB1 GLU 51 -3.370 4.859 4.351
399 HG2 GLU 51 HG2 GLU 51 -5.414 5.832 3.395
400 HG3 GLU 51 HG1 GLU 51 -6.390 4.612 4.211
401 H CYS 52 HN CYS 52 -2.053 3.698 1.769
402 HA CYS 52 HA CYS 52 -0.698 1.224 2.644
403 HB2 CYS 52 HB2 CYS 52 -0.871 1.624 0.227
404 HB3 CYS 52 HB1 CYS 52 -0.091 3.195 0.400
405 HG CYS 52 HG CYS 52 1.414 0.218 1.136
406 H ARG 53 HN ARG 53 1.164 1.307 3.942
407 HA ARG 53 HA ARG 53 1.570 3.600 5.553
408 HB2 ARG 53 HB2 ARG 53 2.096 1.263 6.318
409 HB3 ARG 53 HB1 ARG 53 3.494 1.248 5.247
410 HG2 ARG 53 HG2 ARG 53 4.251 3.379 6.562
411 HG3 ARG 53 HG1 ARG 53 3.063 2.878 7.762
412 HD2 ARG 53 HD2 ARG 53 5.479 1.305 6.822
413 HD3 ARG 53 HD1 ARG 53 5.276 2.073 8.396
414 HE ARG 53 HE ARG 53 4.177 -0.443 7.482
415 HH11 ARG 53 HH11 ARG 53 3.164 0.986 11.106
416 HH12 ARG 53 HH12 ARG 53 3.946 2.042 9.975
417 HH21 ARG 53 HH21 ARG 53 3.150 -1.784 8.948
418 HH22 ARG 53 HH22 ARG 53 2.710 -1.193 10.526
419 H GLU 54 HN GLU 54 3.593 2.220 2.952
420 HA GLU 54 HA GLU 54 5.659 4.205 3.178
421 HB2 GLU 54 HB2 GLU 54 6.010 1.842 2.354
422 HB3 GLU 54 HB1 GLU 54 5.174 2.287 0.873
423 HG2 GLU 54 HG2 GLU 54 7.591 2.308 0.544
424 HG3 GLU 54 HG1 GLU 54 6.934 3.932 0.361
425 H LEU 55 HN LEU 55 2.589 4.262 1.796
426 HA LEU 55 HA LEU 55 3.271 6.312 -0.202
427 HB2 LEU 55 HB2 LEU 55 1.998 4.129 -0.821
428 HB3 LEU 55 HB1 LEU 55 0.623 4.827 0.007
429 HG LEU 55 HG LEU 55 0.574 5.081 -2.490
430 HD11 LEU 55 HD11 LEU 55 -0.087 7.439 -2.585
431 HD12 LEU 55 HD12 LEU 55 0.640 7.720 -1.002
432 HD13 LEU 55 HD13 LEU 55 -0.741 6.634 -1.161
433 HD21 LEU 55 HD21 LEU 55 2.950 5.340 -2.899
434 HD22 LEU 55 HD22 LEU 55 2.964 6.890 -2.058
435 HD23 LEU 55 HD23 LEU 55 2.072 6.713 -3.568
436 H ARG 56 HN ARG 56 3.452 7.998 1.212
437 HA ARG 56 HA ARG 56 1.298 8.963 2.861
438 HB2 ARG 56 HB2 ARG 56 3.821 10.281 1.790
439 HB3 ARG 56 HB1 ARG 56 2.659 11.116 2.817
440 HG2 ARG 56 HG2 ARG 56 3.030 9.378 4.578
441 HG3 ARG 56 HG1 ARG 56 4.303 8.686 3.569
442 HD2 ARG 56 HD2 ARG 56 5.595 10.739 3.703
443 HD3 ARG 56 HD1 ARG 56 4.276 11.554 4.551
444 HE ARG 56 HE ARG 56 5.238 9.207 5.926
445 HH11 ARG 56 HH11 ARG 56 5.828 12.653 5.474
446 HH12 ARG 56 HH12 ARG 56 6.657 12.837 6.990
447 HH21 ARG 56 HH21 ARG 56 6.307 9.478 7.930
448 HH22 ARG 56 HH22 ARG 56 6.925 11.039 8.380
449 HA PRO 57 HA PRO 57 -1.127 11.270 -0.282
450 HB2 PRO 57 HB2 PRO 57 -1.198 13.531 1.706
451 HB3 PRO 57 HB1 PRO 57 -2.541 12.671 0.922
452 HG2 PRO 57 HG2 PRO 57 -1.992 12.240 3.487
453 HG3 PRO 57 HG1 PRO 57 -2.476 10.896 2.427
454 HD2 PRO 57 HD2 PRO 57 0.283 11.632 3.396
455 HD3 PRO 57 HD1 PRO 57 -0.479 10.028 3.250
456 H ASP 58 HN ASP 58 1.838 12.326 1.014
457 HA ASP 58 HA ASP 58 2.096 14.915 -0.209
458 HB2 ASP 58 HB2 ASP 58 4.235 13.169 1.103
459 HB3 ASP 58 HB1 ASP 58 4.340 14.898 0.797
460 H VAL 59 HN VAL 59 2.548 11.734 -1.295
461 HA VAL 59 HA VAL 59 4.714 11.900 -3.062
462 HB VAL 59 HB VAL 59 2.198 10.168 -3.180
463 HG11 VAL 59 HG11 VAL 59 3.511 8.605 -4.630
464 HG12 VAL 59 HG12 VAL 59 4.829 9.778 -4.699
465 HG13 VAL 59 HG13 VAL 59 3.265 10.166 -5.415
466 HG21 VAL 59 HG21 VAL 59 3.638 8.419 -2.191
467 HG22 VAL 59 HG22 VAL 59 3.487 9.825 -1.140
468 HG23 VAL 59 HG23 VAL 59 4.968 9.575 -2.069
469 H PHE 60 HN PHE 60 1.293 12.721 -3.515
470 HA PHE 60 HA PHE 60 1.991 14.260 -5.943
471 HB2 PHE 60 HB2 PHE 60 -0.550 12.588 -5.670
472 HB3 PHE 60 HB1 PHE 60 -0.137 13.625 -7.026
473 HD1 PHE 60 HD1 PHE 60 2.023 12.999 -8.367
474 HD2 PHE 60 HD2 PHE 60 0.013 10.314 -5.722
475 HE1 PHE 60 HE1 PHE 60 3.052 11.080 -9.517
476 HE2 PHE 60 HE2 PHE 60 1.029 8.418 -6.887
477 HZ PHE 60 HZ PHE 60 2.556 8.790 -8.771
478 H GLY 61 HN GLY 61 -0.837 13.557 -3.901
479 HA2 GLY 61 HA2 GLY 61 -1.226 15.714 -2.360
480 HA3 GLY 61 HA1 GLY 61 -1.758 16.318 -3.935
481 H ALA 62 HN ALA 62 -2.125 13.483 -1.814
482 HA ALA 62 HA ALA 62 -4.609 12.649 -3.056
483 HB1 ALA 62 HB1 ALA 62 -3.146 11.462 -0.671
484 HB2 ALA 62 HB2 ALA 62 -2.855 11.021 -2.351
485 HB3 ALA 62 HB3 ALA 62 -4.426 10.691 -1.613
Start of MODEL 16
1 H1 MET 1 HT1 MET 1 -6.507 -3.691 14.051
2 H2 MET 1 HT2 MET 1 -5.034 -4.523 14.110
3 H3 MET 1 HT3 MET 1 -6.481 -5.383 14.031
4 HA MET 1 HA MET 1 -6.933 -4.595 11.845
5 HB2 MET 1 HB2 MET 1 -5.405 -3.132 10.626
6 HB3 MET 1 HB1 MET 1 -5.839 -2.355 12.142
7 HG2 MET 1 HG2 MET 1 -3.218 -3.703 11.466
8 HG3 MET 1 HG1 MET 1 -3.505 -1.984 11.721
9 HE1 MET 1 HE1 MET 1 -3.803 -0.861 14.124
10 HE2 MET 1 HE2 MET 1 -4.020 -1.786 15.608
11 HE3 MET 1 HE3 MET 1 -5.267 -1.818 14.361
12 H LYS 2 HN LYS 2 -6.447 -6.077 10.263
13 HA LYS 2 HA LYS 2 -4.260 -7.957 10.809
14 HB2 LYS 2 HB2 LYS 2 -5.439 -9.479 9.262
15 HB3 LYS 2 HB1 LYS 2 -6.492 -8.933 10.560
16 HG2 LYS 2 HG2 LYS 2 -7.522 -7.289 8.988
17 HG3 LYS 2 HG1 LYS 2 -6.514 -7.939 7.695
18 HD2 LYS 2 HD2 LYS 2 -8.692 -8.944 7.500
19 HD3 LYS 2 HD1 LYS 2 -7.577 -10.188 8.067
20 HE2 LYS 2 HE2 LYS 2 -8.400 -9.827 10.388
21 HE3 LYS 2 HE1 LYS 2 -9.549 -8.635 9.779
22 HZ1 LYS 2 HZ1 LYS 2 -10.590 -10.363 8.457
23 HZ2 LYS 2 HZ2 LYS 2 -10.573 -10.798 10.088
24 HZ3 LYS 2 HZ3 LYS 2 -9.478 -11.507 9.021
25 H LYS 3 HN LYS 3 -2.406 -7.568 9.818
26 HA LYS 3 HA LYS 3 -2.185 -5.850 7.507
27 HB2 LYS 3 HB2 LYS 3 0.314 -6.338 7.736
28 HB3 LYS 3 HB1 LYS 3 -0.462 -5.510 9.071
29 HG2 LYS 3 HG2 LYS 3 0.988 -7.038 10.097
30 HG3 LYS 3 HG1 LYS 3 -0.599 -7.782 10.239
31 HD2 LYS 3 HD2 LYS 3 -0.032 -9.202 8.234
32 HD3 LYS 3 HD1 LYS 3 1.595 -8.521 8.270
33 HE2 LYS 3 HE2 LYS 3 1.941 -9.468 10.525
34 HE3 LYS 3 HE1 LYS 3 0.298 -10.116 10.511
35 HZ1 LYS 3 HZ1 LYS 3 1.958 -11.791 9.923
36 HZ2 LYS 3 HZ2 LYS 3 2.435 -10.868 8.589
37 HZ3 LYS 3 HZ3 LYS 3 0.876 -11.517 8.655
38 H ILE 4 HN ILE 4 -1.489 -6.380 5.492
39 HA ILE 4 HA ILE 4 -1.245 -9.224 4.718
40 HB ILE 4 HB ILE 4 -2.649 -7.051 3.102
41 HG12 ILE 4 HG12 ILE 4 -3.844 -9.372 4.677
42 HG13 ILE 4 HG11 ILE 4 -4.139 -7.652 4.917
43 HG21 ILE 4 HG21 ILE 4 -1.530 -8.707 1.659
44 HG22 ILE 4 HG22 ILE 4 -3.281 -8.784 1.492
45 HG23 ILE 4 HG23 ILE 4 -2.430 -10.010 2.442
46 HD11 ILE 4 HD11 ILE 4 -5.005 -9.320 2.576
47 HD12 ILE 4 HD12 ILE 4 -5.247 -7.576 2.716
48 HD13 ILE 4 HD13 ILE 4 -6.020 -8.674 3.861
49 HA PRO 5 HA PRO 5 2.512 -7.565 2.712
50 HB2 PRO 5 HB2 PRO 5 2.348 -10.025 0.989
51 HB3 PRO 5 HB1 PRO 5 3.640 -9.512 2.095
52 HG2 PRO 5 HG2 PRO 5 2.063 -11.592 2.698
53 HG3 PRO 5 HG1 PRO 5 2.621 -10.471 3.966
54 HD2 PRO 5 HD2 PRO 5 -0.049 -10.519 2.535
55 HD3 PRO 5 HD1 PRO 5 0.269 -10.362 4.274
56 H LEU 6 HN LEU 6 2.707 -6.247 0.891
57 HA LEU 6 HA LEU 6 0.510 -5.264 -0.429
58 HB2 LEU 6 HB2 LEU 6 2.633 -4.058 -0.280
59 HB3 LEU 6 HB1 LEU 6 3.412 -5.239 -1.315
60 HG LEU 6 HG LEU 6 1.900 -4.505 -3.197
61 HD11 LEU 6 HD11 LEU 6 0.059 -3.554 -1.918
62 HD12 LEU 6 HD12 LEU 6 0.722 -2.366 -3.034
63 HD13 LEU 6 HD13 LEU 6 1.111 -2.266 -1.315
64 HD21 LEU 6 HD21 LEU 6 3.137 -2.474 -3.730
65 HD22 LEU 6 HD22 LEU 6 4.211 -3.673 -3.014
66 HD23 LEU 6 HD23 LEU 6 3.644 -2.310 -2.048
67 H SER 7 HN SER 7 2.957 -7.428 -1.782
68 HA SER 7 HA SER 7 1.927 -7.849 -4.316
69 HB2 SER 7 HB2 SER 7 3.550 -9.785 -2.618
70 HB3 SER 7 HB1 SER 7 3.395 -9.827 -4.379
71 HG SER 7 HG SER 7 4.442 -7.828 -4.473
72 H LYS 8 HN LYS 8 1.332 -9.678 -1.300
73 HA LYS 8 HA LYS 8 -0.315 -11.698 -2.472
74 HB2 LYS 8 HB2 LYS 8 0.016 -10.823 0.422
75 HB3 LYS 8 HB1 LYS 8 -1.009 -12.175 -0.055
76 HG2 LYS 8 HG2 LYS 8 1.987 -11.963 -0.475
77 HG3 LYS 8 HG1 LYS 8 1.169 -12.958 0.731
78 HD2 LYS 8 HD2 LYS 8 1.006 -13.286 -2.290
79 HD3 LYS 8 HD1 LYS 8 1.920 -14.308 -1.184
80 HE2 LYS 8 HE2 LYS 8 -0.183 -15.064 -0.137
81 HE3 LYS 8 HE1 LYS 8 -1.106 -14.016 -1.218
82 HZ1 LYS 8 HZ1 LYS 8 0.581 -16.327 -2.028
83 HZ2 LYS 8 HZ2 LYS 8 -0.207 -15.284 -3.104
84 HZ3 LYS 8 HZ3 LYS 8 -1.109 -16.255 -2.053
85 H TYR 9 HN TYR 9 -1.041 -8.545 -1.100
86 HA TYR 9 HA TYR 9 -3.881 -8.849 -1.042
87 HB2 TYR 9 HB2 TYR 9 -2.733 -7.035 0.230
88 HB3 TYR 9 HB1 TYR 9 -2.245 -6.273 -1.274
89 HD1 TYR 9 HD1 TYR 9 -5.102 -6.931 0.999
90 HD2 TYR 9 HD2 TYR 9 -3.899 -5.055 -2.666
91 HE1 TYR 9 HE1 TYR 9 -7.224 -5.741 0.902
92 HE2 TYR 9 HE2 TYR 9 -6.041 -3.853 -2.736
93 HH TYR 9 HH TYR 9 -8.327 -4.127 -1.866
94 H LEU 10 HN LEU 10 -1.553 -7.714 -3.420
95 HA LEU 10 HA LEU 10 -3.441 -6.849 -5.385
96 HB2 LEU 10 HB2 LEU 10 -0.471 -7.441 -5.590
97 HB3 LEU 10 HB1 LEU 10 -1.425 -6.669 -6.852
98 HG LEU 10 HG LEU 10 -0.955 -5.522 -4.071
99 HD11 LEU 10 HD11 LEU 10 0.475 -3.866 -5.173
100 HD12 LEU 10 HD12 LEU 10 0.271 -4.701 -6.715
101 HD13 LEU 10 HD13 LEU 10 1.099 -5.503 -5.375
102 HD21 LEU 10 HD21 LEU 10 -3.116 -4.810 -4.938
103 HD22 LEU 10 HD22 LEU 10 -2.377 -4.308 -6.461
104 HD23 LEU 10 HD23 LEU 10 -1.988 -3.458 -4.964
105 H GLU 11 HN GLU 11 -1.887 -9.892 -4.679
106 HA GLU 11 HA GLU 11 -2.631 -11.169 -7.172
107 HB2 GLU 11 HB2 GLU 11 -1.566 -12.306 -4.551
108 HB3 GLU 11 HB1 GLU 11 -1.885 -13.280 -5.983
109 HG2 GLU 11 HG2 GLU 11 0.165 -11.062 -5.718
110 HG3 GLU 11 HG1 GLU 11 0.489 -12.788 -5.805
111 H GLU 12 HN GLU 12 -3.894 -11.004 -3.845
112 HA GLU 12 HA GLU 12 -5.797 -13.167 -4.466
113 HB2 GLU 12 HB2 GLU 12 -4.214 -13.293 -2.472
114 HB3 GLU 12 HB1 GLU 12 -5.156 -12.011 -1.723
115 HG2 GLU 12 HG2 GLU 12 -5.885 -14.110 -0.822
116 HG3 GLU 12 HG1 GLU 12 -7.175 -13.480 -1.843
117 H HIS 13 HN HIS 13 -5.833 -9.894 -2.931
118 HA HIS 13 HA HIS 13 -8.726 -10.139 -2.485
119 HB2 HIS 13 HB2 HIS 13 -6.675 -8.121 -1.496
120 HB3 HIS 13 HB1 HIS 13 -8.399 -8.002 -1.142
121 HD1 HIS 13 HD1 HIS 13 -9.087 -9.079 0.989
122 HD2 HIS 13 HD2 HIS 13 -5.560 -10.699 -0.494
123 HE1 HIS 13 HE1 HIS 13 -8.330 -10.735 2.712
124 HE2 HIS 13 HE2 HIS 13 -6.266 -11.786 1.742
125 H GLY 14 HN GLY 14 -6.488 -7.824 -4.048
126 HA2 GLY 14 HA2 GLY 14 -8.621 -6.859 -5.799
127 HA3 GLY 14 HA1 GLY 14 -7.908 -5.685 -4.694
128 H THR 15 HN THR 15 -7.721 -5.220 -7.392
129 HA THR 15 HA THR 15 -5.050 -6.023 -8.298
130 HB THR 15 HB THR 15 -5.626 -4.669 -10.341
131 HG1 THR 15 HG1 THR 15 -8.122 -4.156 -10.200
132 HG21 THR 15 HG21 THR 15 -7.828 -6.605 -9.549
133 HG22 THR 15 HG22 THR 15 -6.282 -7.056 -10.273
134 HG23 THR 15 HG23 THR 15 -7.444 -6.096 -11.193
135 H GLN 16 HN GLN 16 -3.810 -4.038 -9.312
136 HA GLN 16 HA GLN 16 -3.062 -2.259 -7.213
137 HB2 GLN 16 HB2 GLN 16 -2.311 -2.086 -10.166
138 HB3 GLN 16 HB1 GLN 16 -1.552 -1.188 -8.863
139 HG2 GLN 16 HG2 GLN 16 -0.053 -2.924 -9.371
140 HG3 GLN 16 HG1 GLN 16 -0.847 -3.435 -7.884
141 HE21 GLN 16 HE21 GLN 16 -2.236 -5.249 -7.958
142 HE22 GLN 16 HE22 GLN 16 -2.276 -6.327 -9.308
143 H SER 17 HN SER 17 -5.160 -2.076 -9.982
144 HA SER 17 HA SER 17 -5.724 0.706 -10.022
145 HB2 SER 17 HB2 SER 17 -7.591 -1.529 -10.895
146 HB3 SER 17 HB1 SER 17 -7.495 0.116 -11.534
147 HG SER 17 HG SER 17 -5.270 -0.543 -12.187
148 H ALA 18 HN ALA 18 -7.380 -2.106 -8.592
149 HA ALA 18 HA ALA 18 -9.519 -0.817 -7.305
150 HB1 ALA 18 HB1 ALA 18 -9.375 -3.269 -7.589
151 HB2 ALA 18 HB2 ALA 18 -9.661 -2.836 -5.903
152 HB3 ALA 18 HB3 ALA 18 -8.046 -3.326 -6.424
153 H LEU 19 HN LEU 19 -6.249 -1.591 -6.220
154 HA LEU 19 HA LEU 19 -6.632 -0.802 -3.515
155 HB2 LEU 19 HB2 LEU 19 -4.891 -2.433 -4.113
156 HB3 LEU 19 HB1 LEU 19 -4.047 -1.225 -5.070
157 HG LEU 19 HG LEU 19 -3.558 0.071 -3.002
158 HD11 LEU 19 HD11 LEU 19 -5.458 -0.578 -1.605
159 HD12 LEU 19 HD12 LEU 19 -3.935 -0.857 -0.771
160 HD13 LEU 19 HD13 LEU 19 -4.818 -2.219 -1.462
161 HD21 LEU 19 HD21 LEU 19 -1.858 -1.434 -2.057
162 HD22 LEU 19 HD22 LEU 19 -1.893 -1.523 -3.815
163 HD23 LEU 19 HD23 LEU 19 -2.623 -2.813 -2.857
164 H ALA 20 HN ALA 20 -5.278 0.815 -6.372
165 HA ALA 20 HA ALA 20 -4.404 3.206 -5.128
166 HB1 ALA 20 HB1 ALA 20 -4.328 4.160 -7.394
167 HB2 ALA 20 HB2 ALA 20 -5.257 2.790 -8.013
168 HB3 ALA 20 HB3 ALA 20 -3.639 2.533 -7.366
169 H ALA 21 HN ALA 21 -7.515 2.273 -6.570
170 HA ALA 21 HA ALA 21 -8.822 4.796 -6.257
171 HB1 ALA 21 HB1 ALA 21 -10.896 3.527 -6.691
172 HB2 ALA 21 HB2 ALA 21 -10.015 2.010 -6.492
173 HB3 ALA 21 HB3 ALA 21 -9.623 3.085 -7.832
174 H ALA 22 HN ALA 22 -8.344 1.993 -4.190
175 HA ALA 22 HA ALA 22 -10.224 2.615 -2.121
176 HB1 ALA 22 HB1 ALA 22 -7.738 0.866 -2.006
177 HB2 ALA 22 HB2 ALA 22 -9.346 0.333 -2.506
178 HB3 ALA 22 HB3 ALA 22 -9.067 0.860 -0.845
179 H LEU 23 HN LEU 23 -6.805 3.286 -2.644
180 HA LEU 23 HA LEU 23 -6.417 4.583 -0.064
181 HB2 LEU 23 HB2 LEU 23 -4.529 4.339 -2.434
182 HB3 LEU 23 HB1 LEU 23 -4.093 4.881 -0.821
183 HG LEU 23 HG LEU 23 -5.002 2.070 -1.540
184 HD11 LEU 23 HD11 LEU 23 -2.820 2.546 -2.501
185 HD12 LEU 23 HD12 LEU 23 -2.669 1.398 -1.174
186 HD13 LEU 23 HD13 LEU 23 -2.214 3.086 -0.932
187 HD21 LEU 23 HD21 LEU 23 -5.643 2.549 0.738
188 HD22 LEU 23 HD22 LEU 23 -4.033 3.176 1.112
189 HD23 LEU 23 HD23 LEU 23 -4.252 1.460 0.761
190 H GLY 24 HN GLY 24 -7.483 5.477 -3.192
191 HA2 GLY 24 HA2 GLY 24 -8.050 7.496 -4.150
192 HA3 GLY 24 HA1 GLY 24 -7.587 8.302 -2.657
193 H VAL 25 HN VAL 25 -5.307 6.203 -4.212
194 HA VAL 25 HA VAL 25 -3.567 8.490 -4.882
195 HB VAL 25 HB VAL 25 -1.662 7.101 -4.443
196 HG11 VAL 25 HG11 VAL 25 -3.757 6.595 -2.305
197 HG12 VAL 25 HG12 VAL 25 -2.684 7.992 -2.419
198 HG13 VAL 25 HG13 VAL 25 -2.021 6.394 -2.079
199 HG21 VAL 25 HG21 VAL 25 -2.377 4.988 -5.494
200 HG22 VAL 25 HG22 VAL 25 -3.521 4.697 -4.182
201 HG23 VAL 25 HG23 VAL 25 -1.786 4.687 -3.859
202 H ASN 26 HN ASN 26 -1.923 7.951 -6.625
203 HA ASN 26 HA ASN 26 -3.232 6.779 -8.987
204 HB2 ASN 26 HB2 ASN 26 -2.159 9.000 -9.192
205 HB3 ASN 26 HB1 ASN 26 -0.628 8.341 -8.639
206 HD21 ASN 26 HD21 ASN 26 0.216 9.284 -10.594
207 HD22 ASN 26 HD22 ASN 26 0.093 8.429 -12.090
208 H GLN 27 HN GLN 27 -2.340 5.056 -10.138
209 HA GLN 27 HA GLN 27 -1.196 2.934 -8.646
210 HB2 GLN 27 HB2 GLN 27 -1.521 3.244 -11.660
211 HB3 GLN 27 HB1 GLN 27 -1.037 1.750 -10.861
212 HG2 GLN 27 HG2 GLN 27 -3.232 1.722 -9.660
213 HG3 GLN 27 HG1 GLN 27 -3.720 3.152 -10.572
214 HE21 GLN 27 HE21 GLN 27 -4.109 2.938 -12.826
215 HE22 GLN 27 HE22 GLN 27 -4.370 1.399 -13.551
216 H SER 28 HN SER 28 0.328 5.499 -10.392
217 HA SER 28 HA SER 28 2.781 4.476 -11.160
218 HB2 SER 28 HB2 SER 28 2.251 7.226 -9.956
219 HB3 SER 28 HB1 SER 28 3.663 6.782 -10.918
220 HG SER 28 HG SER 28 1.617 6.066 -12.365
221 H ALA 29 HN ALA 29 1.868 5.828 -8.002
222 HA ALA 29 HA ALA 29 4.254 5.450 -6.558
223 HB1 ALA 29 HB1 ALA 29 2.370 6.812 -5.763
224 HB2 ALA 29 HB2 ALA 29 2.818 5.599 -4.570
225 HB3 ALA 29 HB3 ALA 29 1.380 5.359 -5.564
226 H ILE 30 HN ILE 30 1.357 3.334 -6.567
227 HA ILE 30 HA ILE 30 2.319 1.339 -4.860
228 HB ILE 30 HB ILE 30 0.219 1.085 -7.064
229 HG12 ILE 30 HG12 ILE 30 -0.036 1.739 -4.084
230 HG13 ILE 30 HG11 ILE 30 -0.306 2.855 -5.420
231 HG21 ILE 30 HG21 ILE 30 0.693 -0.764 -4.682
232 HG22 ILE 30 HG22 ILE 30 0.986 -1.162 -6.375
233 HG23 ILE 30 HG23 ILE 30 -0.659 -0.874 -5.815
234 HD11 ILE 30 HD11 ILE 30 -2.223 1.511 -6.128
235 HD12 ILE 30 HD12 ILE 30 -2.385 2.107 -4.478
236 HD13 ILE 30 HD13 ILE 30 -1.947 0.426 -4.764
237 H SER 31 HN SER 31 2.505 1.556 -8.404
238 HA SER 31 HA SER 31 3.491 -1.054 -8.962
239 HB2 SER 31 HB2 SER 31 2.437 0.393 -10.678
240 HB3 SER 31 HB1 SER 31 3.788 1.524 -10.596
241 HG SER 31 HG SER 31 3.922 -1.210 -11.376
242 H GLN 32 HN GLN 32 5.136 2.040 -8.285
243 HA GLN 32 HA GLN 32 7.815 1.114 -8.734
244 HB2 GLN 32 HB2 GLN 32 6.788 3.431 -7.033
245 HB3 GLN 32 HB1 GLN 32 8.485 3.148 -7.424
246 HG2 GLN 32 HG2 GLN 32 8.108 3.585 -9.760
247 HG3 GLN 32 HG1 GLN 32 6.359 3.591 -9.534
248 HE21 GLN 32 HE21 GLN 32 6.066 5.661 -10.327
249 HE22 GLN 32 HE22 GLN 32 6.598 7.081 -9.509
250 H MET 33 HN MET 33 5.640 1.087 -5.993
251 HA MET 33 HA MET 33 7.507 0.317 -3.952
252 HB2 MET 33 HB2 MET 33 4.495 -0.141 -3.998
253 HB3 MET 33 HB1 MET 33 5.531 -0.013 -2.579
254 HG2 MET 33 HG2 MET 33 5.904 2.397 -3.071
255 HG3 MET 33 HG1 MET 33 4.960 2.224 -4.522
256 HE1 MET 33 HE1 MET 33 4.937 1.775 -0.723
257 HE2 MET 33 HE2 MET 33 3.924 0.395 -1.173
258 HE3 MET 33 HE3 MET 33 3.217 1.771 -0.323
259 H VAL 34 HN VAL 34 5.454 -1.355 -6.242
260 HA VAL 34 HA VAL 34 5.801 -4.055 -5.348
261 HB VAL 34 HB VAL 34 4.844 -2.811 -7.975
262 HG11 VAL 34 HG11 VAL 34 4.780 -5.773 -7.280
263 HG12 VAL 34 HG12 VAL 34 5.761 -5.012 -8.535
264 HG13 VAL 34 HG13 VAL 34 4.007 -5.009 -8.678
265 HG21 VAL 34 HG21 VAL 34 3.296 -4.230 -5.771
266 HG22 VAL 34 HG22 VAL 34 2.614 -3.519 -7.238
267 HG23 VAL 34 HG23 VAL 34 3.369 -2.486 -6.030
268 H ARG 35 HN ARG 35 7.231 -2.111 -7.952
269 HA ARG 35 HA ARG 35 8.949 -4.179 -8.958
270 HB2 ARG 35 HB2 ARG 35 7.958 -2.412 -10.403
271 HB3 ARG 35 HB1 ARG 35 8.897 -1.188 -9.558
272 HG2 ARG 35 HG2 ARG 35 10.990 -2.226 -10.400
273 HG3 ARG 35 HG1 ARG 35 10.037 -3.440 -11.263
274 HD2 ARG 35 HD2 ARG 35 10.787 -1.597 -12.746
275 HD3 ARG 35 HD1 ARG 35 9.024 -1.694 -12.660
276 HE ARG 35 HE ARG 35 9.637 0.114 -10.736
277 HH11 ARG 35 HH11 ARG 35 10.462 -0.024 -14.158
278 HH12 ARG 35 HH12 ARG 35 10.552 1.700 -14.311
279 HH21 ARG 35 HH21 ARG 35 9.734 2.334 -10.968
280 HH22 ARG 35 HH22 ARG 35 10.136 3.042 -12.498
281 H ALA 36 HN ALA 36 9.213 -1.753 -6.497
282 HA ALA 36 HA ALA 36 12.040 -1.611 -6.202
283 HB1 ALA 36 HB1 ALA 36 10.529 -0.024 -5.079
284 HB2 ALA 36 HB2 ALA 36 11.574 -0.821 -3.906
285 HB3 ALA 36 HB3 ALA 36 9.888 -1.322 -4.069
286 H GLY 37 HN GLY 37 9.738 -4.082 -5.508
287 HA2 GLY 37 HA2 GLY 37 9.930 -6.244 -4.774
288 HA3 GLY 37 HA1 GLY 37 11.679 -6.026 -4.741
289 H ARG 38 HN ARG 38 9.606 -3.826 -3.031
290 HA ARG 38 HA ARG 38 10.584 -4.843 -0.436
291 HB2 ARG 38 HB2 ARG 38 11.088 -2.443 -1.080
292 HB3 ARG 38 HB1 ARG 38 9.360 -2.117 -1.108
293 HG2 ARG 38 HG2 ARG 38 10.422 -1.332 0.983
294 HG3 ARG 38 HG1 ARG 38 9.191 -2.560 1.292
295 HD2 ARG 38 HD2 ARG 38 10.945 -4.273 1.572
296 HD3 ARG 38 HD1 ARG 38 12.185 -3.083 1.183
297 HE ARG 38 HE ARG 38 12.056 -2.245 3.307
298 HH11 ARG 38 HH11 ARG 38 8.839 -4.323 4.530
299 HH12 ARG 38 HH12 ARG 38 9.268 -4.347 2.854
300 HH21 ARG 38 HH21 ARG 38 10.090 -3.151 6.024
301 HH22 ARG 38 HH22 ARG 38 11.490 -2.267 5.502
302 H CYS 39 HN CYS 39 9.168 -5.971 0.753
303 HA CYS 39 HA CYS 39 6.403 -6.242 0.091
304 HB2 CYS 39 HB2 CYS 39 7.711 -8.080 1.106
305 HB3 CYS 39 HB1 CYS 39 7.897 -7.145 2.584
306 HG CYS 39 HG CYS 39 5.284 -7.271 3.359
307 H ILE 40 HN ILE 40 4.918 -4.732 0.483
308 HA ILE 40 HA ILE 40 5.331 -2.761 2.643
309 HB ILE 40 HB ILE 40 3.444 -2.660 0.243
310 HG12 ILE 40 HG12 ILE 40 5.764 -2.571 -0.514
311 HG13 ILE 40 HG11 ILE 40 5.014 -0.997 -0.714
312 HG21 ILE 40 HG21 ILE 40 4.091 -0.497 2.255
313 HG22 ILE 40 HG22 ILE 40 2.555 -1.349 2.081
314 HG23 ILE 40 HG23 ILE 40 3.125 -0.293 0.792
315 HD11 ILE 40 HD11 ILE 40 6.176 -0.234 1.339
316 HD12 ILE 40 HD12 ILE 40 7.268 -0.736 0.049
317 HD13 ILE 40 HD13 ILE 40 6.982 -1.804 1.422
318 H ASP 41 HN ASP 41 3.739 -2.333 4.154
319 HA ASP 41 HA ASP 41 2.013 -4.603 4.805
320 HB2 ASP 41 HB2 ASP 41 2.771 -2.112 6.396
321 HB3 ASP 41 HB1 ASP 41 1.791 -3.440 7.013
322 H ILE 42 HN ILE 42 0.093 -4.571 3.840
323 HA ILE 42 HA ILE 42 -1.564 -2.164 3.665
324 HB ILE 42 HB ILE 42 -2.111 -5.038 2.754
325 HG12 ILE 42 HG12 ILE 42 -0.294 -3.918 1.446
326 HG13 ILE 42 HG11 ILE 42 -1.714 -4.230 0.457
327 HG21 ILE 42 HG21 ILE 42 -4.214 -3.893 3.246
328 HG22 ILE 42 HG22 ILE 42 -4.039 -4.085 1.503
329 HG23 ILE 42 HG23 ILE 42 -3.738 -2.514 2.251
330 HD11 ILE 42 HD11 ILE 42 -2.351 -1.872 0.606
331 HD12 ILE 42 HD12 ILE 42 -0.714 -2.043 -0.025
332 HD13 ILE 42 HD13 ILE 42 -0.964 -1.550 1.649
333 H GLU 43 HN GLU 43 -2.237 -1.665 5.705
334 HA GLU 43 HA GLU 43 -3.278 -3.514 7.604
335 HB2 GLU 43 HB2 GLU 43 -3.371 -0.493 7.321
336 HB3 GLU 43 HB1 GLU 43 -4.336 -1.295 8.551
337 HG2 GLU 43 HG2 GLU 43 -2.175 -0.422 9.404
338 HG3 GLU 43 HG1 GLU 43 -2.408 -2.143 9.669
339 H LEU 44 HN LEU 44 -4.808 -4.807 6.681
340 HA LEU 44 HA LEU 44 -7.206 -3.707 5.444
341 HB2 LEU 44 HB2 LEU 44 -6.333 -5.877 4.653
342 HB3 LEU 44 HB1 LEU 44 -6.477 -6.551 6.267
343 HG LEU 44 HG LEU 44 -8.984 -6.261 6.109
344 HD11 LEU 44 HD11 LEU 44 -9.094 -4.503 4.407
345 HD12 LEU 44 HD12 LEU 44 -10.025 -5.916 3.918
346 HD13 LEU 44 HD13 LEU 44 -8.436 -5.616 3.195
347 HD21 LEU 44 HD21 LEU 44 -7.892 -8.434 5.658
348 HD22 LEU 44 HD22 LEU 44 -7.770 -8.014 3.947
349 HD23 LEU 44 HD23 LEU 44 -9.354 -8.220 4.700
350 H TYR 45 HN TYR 45 -8.905 -3.090 6.551
351 HA TYR 45 HA TYR 45 -9.216 -3.651 9.428
352 HB2 TYR 45 HB2 TYR 45 -10.313 -1.428 7.644
353 HB3 TYR 45 HB1 TYR 45 -10.721 -1.610 9.348
354 HD1 TYR 45 HD1 TYR 45 -8.975 -1.205 11.103
355 HD2 TYR 45 HD2 TYR 45 -8.110 -0.542 6.969
356 HE1 TYR 45 HE1 TYR 45 -6.954 0.042 11.727
357 HE2 TYR 45 HE2 TYR 45 -6.091 0.717 7.600
358 HH TYR 45 HH TYR 45 -5.075 1.840 9.414
359 H THR 46 HN THR 46 -11.435 -4.009 10.175
360 HA THR 46 HA THR 46 -12.414 -6.339 8.875
361 HB THR 46 HB THR 46 -13.657 -4.842 11.221
362 HG1 THR 46 HG1 THR 46 -12.157 -6.897 11.998
363 HG21 THR 46 HG21 THR 46 -13.779 -7.804 10.486
364 HG22 THR 46 HG22 THR 46 -15.116 -6.661 10.350
365 HG23 THR 46 HG23 THR 46 -14.470 -7.067 11.937
366 H ASP 47 HN ASP 47 -13.478 -3.020 8.812
367 HA ASP 47 HA ASP 47 -16.149 -3.490 7.805
368 HB2 ASP 47 HB2 ASP 47 -16.363 -1.103 7.653
369 HB3 ASP 47 HB1 ASP 47 -15.440 -1.413 9.114
370 H GLY 48 HN GLY 48 -12.993 -3.384 6.464
371 HA2 GLY 48 HA2 GLY 48 -12.730 -4.472 4.297
372 HA3 GLY 48 HA1 GLY 48 -14.087 -3.521 3.715
373 H ARG 49 HN ARG 49 -12.532 -1.318 5.546
374 HA ARG 49 HA ARG 49 -11.264 -0.005 3.337
375 HB2 ARG 49 HB2 ARG 49 -11.494 0.566 6.294
376 HB3 ARG 49 HB1 ARG 49 -10.285 1.442 5.367
377 HG2 ARG 49 HG2 ARG 49 -12.095 2.247 3.833
378 HG3 ARG 49 HG1 ARG 49 -13.281 1.452 4.874
379 HD2 ARG 49 HD2 ARG 49 -12.561 2.874 6.768
380 HD3 ARG 49 HD1 ARG 49 -11.368 3.647 5.729
381 HE ARG 49 HE ARG 49 -13.056 4.793 4.600
382 HH11 ARG 49 HH11 ARG 49 -14.439 2.767 7.121
383 HH12 ARG 49 HH12 ARG 49 -15.954 3.603 7.116
384 HH21 ARG 49 HH21 ARG 49 -16.295 5.369 5.705
385 HH22 ARG 49 HH22 ARG 49 -15.039 5.887 4.626
386 H VAL 50 HN VAL 50 -9.106 0.208 2.818
387 HA VAL 50 HA VAL 50 -7.128 -1.408 4.328
388 HB VAL 50 HB VAL 50 -5.908 -1.796 2.197
389 HG11 VAL 50 HG11 VAL 50 -7.418 -3.511 3.027
390 HG12 VAL 50 HG12 VAL 50 -7.448 -3.481 1.266
391 HG13 VAL 50 HG13 VAL 50 -8.780 -2.771 2.179
392 HG21 VAL 50 HG21 VAL 50 -7.004 -1.366 0.010
393 HG22 VAL 50 HG22 VAL 50 -6.678 0.131 0.881
394 HG23 VAL 50 HG23 VAL 50 -8.317 -0.518 0.836
395 H GLU 51 HN GLU 51 -4.982 -0.663 4.264
396 HA GLU 51 HA GLU 51 -4.541 2.179 3.643
397 HB2 GLU 51 HB2 GLU 51 -5.286 2.096 5.974
398 HB3 GLU 51 HB1 GLU 51 -4.126 0.830 6.345
399 HG2 GLU 51 HG2 GLU 51 -2.273 2.399 5.994
400 HG3 GLU 51 HG1 GLU 51 -3.416 3.673 5.560
401 H CYS 52 HN CYS 52 -2.723 2.269 2.497
402 HA CYS 52 HA CYS 52 -0.562 0.319 2.875
403 HB2 CYS 52 HB2 CYS 52 -1.302 0.965 0.557
404 HB3 CYS 52 HB1 CYS 52 -0.763 2.612 0.873
405 HG CYS 52 HG CYS 52 1.208 1.647 -0.664
406 H ARG 53 HN ARG 53 0.496 0.848 4.737
407 HA ARG 53 HA ARG 53 0.513 3.480 5.841
408 HB2 ARG 53 HB2 ARG 53 0.509 1.393 7.174
409 HB3 ARG 53 HB1 ARG 53 2.156 1.043 6.660
410 HG2 ARG 53 HG2 ARG 53 3.056 2.812 7.936
411 HG3 ARG 53 HG1 ARG 53 1.494 3.619 8.107
412 HD2 ARG 53 HD2 ARG 53 2.277 0.975 9.394
413 HD3 ARG 53 HD1 ARG 53 2.165 2.537 10.218
414 HE ARG 53 HE ARG 53 -0.209 1.349 8.883
415 HH11 ARG 53 HH11 ARG 53 -0.147 2.419 12.766
416 HH12 ARG 53 HH12 ARG 53 1.325 2.478 11.854
417 HH21 ARG 53 HH21 ARG 53 -2.125 1.343 10.068
418 HH22 ARG 53 HH22 ARG 53 -2.115 1.781 11.749
419 H GLU 54 HN GLU 54 2.854 1.657 3.969
420 HA GLU 54 HA GLU 54 5.040 3.508 4.253
421 HB2 GLU 54 HB2 GLU 54 5.290 1.064 3.706
422 HB3 GLU 54 HB1 GLU 54 4.638 1.393 2.109
423 HG2 GLU 54 HG2 GLU 54 7.067 1.222 2.030
424 HG3 GLU 54 HG1 GLU 54 6.551 2.854 1.611
425 H LEU 55 HN LEU 55 2.118 3.710 2.547
426 HA LEU 55 HA LEU 55 3.215 5.609 0.577
427 HB2 LEU 55 HB2 LEU 55 1.888 3.496 -0.203
428 HB3 LEU 55 HB1 LEU 55 0.459 4.336 0.370
429 HG LEU 55 HG LEU 55 0.881 4.534 -2.123
430 HD11 LEU 55 HD11 LEU 55 0.394 6.925 -2.337
431 HD12 LEU 55 HD12 LEU 55 0.918 7.209 -0.676
432 HD13 LEU 55 HD13 LEU 55 -0.516 6.231 -0.997
433 HD21 LEU 55 HD21 LEU 55 2.668 6.057 -2.913
434 HD22 LEU 55 HD22 LEU 55 3.324 4.637 -2.097
435 HD23 LEU 55 HD23 LEU 55 3.276 6.192 -1.262
436 H ARG 56 HN ARG 56 3.291 7.308 1.925
437 HA ARG 56 HA ARG 56 0.886 8.482 3.091
438 HB2 ARG 56 HB2 ARG 56 3.696 9.631 2.831
439 HB3 ARG 56 HB1 ARG 56 2.373 10.316 3.769
440 HG2 ARG 56 HG2 ARG 56 2.442 8.043 5.064
441 HG3 ARG 56 HG1 ARG 56 4.048 7.883 4.345
442 HD2 ARG 56 HD2 ARG 56 3.050 10.070 6.188
443 HD3 ARG 56 HD1 ARG 56 4.330 8.898 6.503
444 HE ARG 56 HE ARG 56 4.699 10.816 4.309
445 HH11 ARG 56 HH11 ARG 56 5.645 9.836 7.552
446 HH12 ARG 56 HH12 ARG 56 7.055 10.842 7.568
447 HH21 ARG 56 HH21 ARG 56 6.495 12.189 4.362
448 HH22 ARG 56 HH22 ARG 56 7.546 12.190 5.743
449 HA PRO 57 HA PRO 57 -0.215 11.132 -0.444
450 HB2 PRO 57 HB2 PRO 57 -0.684 13.581 0.794
451 HB3 PRO 57 HB1 PRO 57 -1.817 12.217 0.815
452 HG2 PRO 57 HG2 PRO 57 0.188 13.017 2.910
453 HG3 PRO 57 HG1 PRO 57 -1.524 12.565 3.104
454 HD2 PRO 57 HD2 PRO 57 0.380 10.779 3.613
455 HD3 PRO 57 HD1 PRO 57 -1.101 10.280 2.762
456 H ASP 58 HN ASP 58 2.671 11.610 1.266
457 HA ASP 58 HA ASP 58 3.733 13.996 0.225
458 HB2 ASP 58 HB2 ASP 58 5.170 11.446 1.110
459 HB3 ASP 58 HB1 ASP 58 5.967 12.985 0.795
460 H VAL 59 HN VAL 59 3.488 10.766 -1.050
461 HA VAL 59 HA VAL 59 5.552 10.825 -2.983
462 HB VAL 59 HB VAL 59 4.399 8.794 -1.958
463 HG11 VAL 59 HG11 VAL 59 2.430 7.877 -3.109
464 HG12 VAL 59 HG12 VAL 59 2.321 9.330 -4.101
465 HG13 VAL 59 HG13 VAL 59 2.084 9.432 -2.355
466 HG21 VAL 59 HG21 VAL 59 6.044 8.548 -3.776
467 HG22 VAL 59 HG22 VAL 59 4.776 8.764 -4.984
468 HG23 VAL 59 HG23 VAL 59 4.762 7.347 -3.930
469 H PHE 60 HN PHE 60 2.413 12.151 -2.992
470 HA PHE 60 HA PHE 60 1.807 12.258 -5.771
471 HB2 PHE 60 HB2 PHE 60 0.871 13.859 -3.365
472 HB3 PHE 60 HB1 PHE 60 0.228 14.123 -4.982
473 HD1 PHE 60 HD1 PHE 60 -1.892 13.241 -5.258
474 HD2 PHE 60 HD2 PHE 60 0.872 11.069 -2.798
475 HE1 PHE 60 HE1 PHE 60 -3.605 11.544 -4.821
476 HE2 PHE 60 HE2 PHE 60 -0.868 9.393 -2.363
477 HZ PHE 60 HZ PHE 60 -3.100 9.631 -3.368
478 H GLY 61 HN GLY 61 2.833 14.834 -3.498
479 HA2 GLY 61 HA2 GLY 61 3.798 16.526 -5.715
480 HA3 GLY 61 HA1 GLY 61 3.480 17.036 -4.059
481 H ALA 62 HN ALA 62 5.290 14.186 -5.003
482 HA ALA 62 HA ALA 62 7.612 15.002 -3.447
483 HB1 ALA 62 HB1 ALA 62 6.969 12.401 -4.901
484 HB2 ALA 62 HB2 ALA 62 6.673 12.731 -3.195
485 HB3 ALA 62 HB3 ALA 62 8.332 12.657 -3.801
Start of MODEL 17
1 H1 MET 1 HT1 MET 1 -6.236 -4.391 12.168
2 H2 MET 1 HT2 MET 1 -7.698 -5.201 11.923
3 H3 MET 1 HT3 MET 1 -7.669 -3.513 11.995
4 HA MET 1 HA MET 1 -7.910 -4.324 9.746
5 HB2 MET 1 HB2 MET 1 -6.236 -2.873 8.740
6 HB3 MET 1 HB1 MET 1 -6.766 -2.139 10.247
7 HG2 MET 1 HG2 MET 1 -4.170 -3.642 9.803
8 HG3 MET 1 HG1 MET 1 -4.354 -1.897 9.982
9 HE1 MET 1 HE1 MET 1 -2.449 -1.901 11.857
10 HE2 MET 1 HE2 MET 1 -2.271 -3.645 11.653
11 HE3 MET 1 HE3 MET 1 -2.477 -2.962 13.266
12 H LYS 2 HN LYS 2 -7.015 -5.445 7.956
13 HA LYS 2 HA LYS 2 -5.093 -7.595 8.531
14 HB2 LYS 2 HB2 LYS 2 -6.959 -7.116 6.162
15 HB3 LYS 2 HB1 LYS 2 -5.871 -8.498 6.309
16 HG2 LYS 2 HG2 LYS 2 -7.078 -9.250 8.311
17 HG3 LYS 2 HG1 LYS 2 -8.150 -7.848 8.207
18 HD2 LYS 2 HD2 LYS 2 -9.024 -8.658 6.055
19 HD3 LYS 2 HD1 LYS 2 -7.911 -10.030 6.091
20 HE2 LYS 2 HE2 LYS 2 -10.216 -10.659 6.785
21 HE3 LYS 2 HE1 LYS 2 -9.033 -10.928 8.067
22 HZ1 LYS 2 HZ1 LYS 2 -10.864 -8.598 7.866
23 HZ2 LYS 2 HZ2 LYS 2 -9.736 -8.858 9.099
24 HZ3 LYS 2 HZ3 LYS 2 -11.046 -9.912 8.915
25 H LYS 3 HN LYS 3 -3.008 -7.046 8.150
26 HA LYS 3 HA LYS 3 -2.244 -5.024 6.191
27 HB2 LYS 3 HB2 LYS 3 -0.450 -6.890 7.802
28 HB3 LYS 3 HB1 LYS 3 0.049 -5.434 6.939
29 HG2 LYS 3 HG2 LYS 3 -1.233 -4.042 8.520
30 HG3 LYS 3 HG1 LYS 3 -1.788 -5.493 9.366
31 HD2 LYS 3 HD2 LYS 3 1.101 -4.542 9.130
32 HD3 LYS 3 HD1 LYS 3 0.090 -4.448 10.576
33 HE2 LYS 3 HE2 LYS 3 -0.006 -6.905 10.691
34 HE3 LYS 3 HE1 LYS 3 0.932 -7.033 9.205
35 HZ1 LYS 3 HZ1 LYS 3 1.894 -5.852 11.745
36 HZ2 LYS 3 HZ2 LYS 3 2.787 -6.007 10.318
37 HZ3 LYS 3 HZ3 LYS 3 2.279 -7.388 11.152
38 H ILE 4 HN ILE 4 -2.538 -5.703 4.141
39 HA ILE 4 HA ILE 4 -1.739 -8.415 3.298
40 HB ILE 4 HB ILE 4 -3.179 -6.286 1.670
41 HG12 ILE 4 HG12 ILE 4 -4.337 -8.571 3.316
42 HG13 ILE 4 HG11 ILE 4 -4.600 -6.844 3.576
43 HG21 ILE 4 HG21 ILE 4 -2.053 -8.006 0.295
44 HG22 ILE 4 HG22 ILE 4 -3.809 -8.093 0.140
45 HG23 ILE 4 HG23 ILE 4 -2.951 -9.265 1.148
46 HD11 ILE 4 HD11 ILE 4 -6.514 -7.848 2.546
47 HD12 ILE 4 HD12 ILE 4 -5.525 -8.475 1.232
48 HD13 ILE 4 HD13 ILE 4 -5.751 -6.733 1.413
49 HA PRO 5 HA PRO 5 1.964 -6.610 1.320
50 HB2 PRO 5 HB2 PRO 5 1.999 -9.075 -0.359
51 HB3 PRO 5 HB1 PRO 5 3.203 -8.513 0.816
52 HG2 PRO 5 HG2 PRO 5 1.678 -10.660 1.343
53 HG3 PRO 5 HG1 PRO 5 2.140 -9.515 2.623
54 HD2 PRO 5 HD2 PRO 5 -0.474 -9.664 1.108
55 HD3 PRO 5 HD1 PRO 5 -0.220 -9.503 2.860
56 H LEU 6 HN LEU 6 2.247 -5.427 -0.522
57 HA LEU 6 HA LEU 6 0.172 -4.355 -1.899
58 HB2 LEU 6 HB2 LEU 6 2.423 -3.386 -1.769
59 HB3 LEU 6 HB1 LEU 6 3.045 -4.621 -2.850
60 HG LEU 6 HG LEU 6 1.612 -3.687 -4.697
61 HD11 LEU 6 HD11 LEU 6 -0.171 -2.670 -3.381
62 HD12 LEU 6 HD12 LEU 6 0.568 -1.472 -4.441
63 HD13 LEU 6 HD13 LEU 6 0.957 -1.485 -2.718
64 HD21 LEU 6 HD21 LEU 6 3.953 -3.025 -4.498
65 HD22 LEU 6 HD22 LEU 6 3.511 -1.702 -3.418
66 HD23 LEU 6 HD23 LEU 6 2.979 -1.685 -5.100
67 H SER 7 HN SER 7 2.438 -6.704 -3.434
68 HA SER 7 HA SER 7 1.015 -6.995 -5.843
69 HB2 SER 7 HB2 SER 7 3.370 -7.585 -5.718
70 HB3 SER 7 HB1 SER 7 3.052 -8.831 -4.512
71 HG SER 7 HG SER 7 1.642 -9.079 -6.890
72 H LYS 8 HN LYS 8 0.874 -8.846 -2.817
73 HA LYS 8 HA LYS 8 -0.705 -11.024 -3.694
74 HB2 LYS 8 HB2 LYS 8 0.635 -10.363 -1.352
75 HB3 LYS 8 HB1 LYS 8 -1.030 -10.198 -0.832
76 HG2 LYS 8 HG2 LYS 8 0.176 -12.685 -2.076
77 HG3 LYS 8 HG1 LYS 8 -0.019 -12.413 -0.342
78 HD2 LYS 8 HD2 LYS 8 -2.510 -12.282 -0.698
79 HD3 LYS 8 HD1 LYS 8 -2.259 -12.676 -2.404
80 HE2 LYS 8 HE2 LYS 8 -1.228 -14.828 -1.734
81 HE3 LYS 8 HE1 LYS 8 -1.505 -14.430 -0.038
82 HZ1 LYS 8 HZ1 LYS 8 -3.890 -14.379 -0.520
83 HZ2 LYS 8 HZ2 LYS 8 -3.196 -15.890 -0.827
84 HZ3 LYS 8 HZ3 LYS 8 -3.576 -14.860 -2.111
85 H TYR 9 HN TYR 9 -1.490 -7.836 -2.458
86 HA TYR 9 HA TYR 9 -4.322 -8.107 -2.290
87 HB2 TYR 9 HB2 TYR 9 -3.142 -6.329 -1.049
88 HB3 TYR 9 HB1 TYR 9 -2.553 -5.629 -2.545
89 HD1 TYR 9 HD1 TYR 9 -5.582 -6.175 -0.461
90 HD2 TYR 9 HD2 TYR 9 -3.965 -4.143 -3.876
91 HE1 TYR 9 HE1 TYR 9 -7.583 -4.814 -0.605
92 HE2 TYR 9 HE2 TYR 9 -5.990 -2.774 -4.015
93 HH TYR 9 HH TYR 9 -8.320 -2.866 -3.328
94 H LEU 10 HN LEU 10 -2.052 -6.857 -4.727
95 HA LEU 10 HA LEU 10 -3.950 -5.803 -6.525
96 HB2 LEU 10 HB2 LEU 10 -1.065 -6.633 -6.979
97 HB3 LEU 10 HB1 LEU 10 -2.023 -5.735 -8.148
98 HG LEU 10 HG LEU 10 -1.184 -4.758 -5.395
99 HD11 LEU 10 HD11 LEU 10 0.181 -3.118 -6.593
100 HD12 LEU 10 HD12 LEU 10 -0.274 -3.856 -8.132
101 HD13 LEU 10 HD13 LEU 10 0.668 -4.774 -6.954
102 HD21 LEU 10 HD21 LEU 10 -3.386 -3.859 -5.886
103 HD22 LEU 10 HD22 LEU 10 -2.850 -3.314 -7.478
104 HD23 LEU 10 HD23 LEU 10 -2.177 -2.583 -6.017
105 H GLU 11 HN GLU 11 -2.849 -9.048 -6.059
106 HA GLU 11 HA GLU 11 -3.875 -10.020 -8.620
107 HB2 GLU 11 HB2 GLU 11 -2.686 -11.554 -6.276
108 HB3 GLU 11 HB1 GLU 11 -3.085 -12.235 -7.849
109 HG2 GLU 11 HG2 GLU 11 -0.926 -10.176 -7.269
110 HG3 GLU 11 HG1 GLU 11 -0.674 -11.879 -7.640
111 H GLU 12 HN GLU 12 -4.709 -10.164 -5.143
112 HA GLU 12 HA GLU 12 -6.775 -12.176 -5.714
113 HB2 GLU 12 HB2 GLU 12 -5.008 -12.790 -4.115
114 HB3 GLU 12 HB1 GLU 12 -5.455 -11.428 -3.092
115 HG2 GLU 12 HG2 GLU 12 -7.630 -12.440 -2.623
116 HG3 GLU 12 HG1 GLU 12 -7.292 -13.754 -3.752
117 H HIS 13 HN HIS 13 -6.415 -9.083 -3.945
118 HA HIS 13 HA HIS 13 -9.224 -9.258 -3.064
119 HB2 HIS 13 HB2 HIS 13 -6.920 -7.507 -2.143
120 HB3 HIS 13 HB1 HIS 13 -8.563 -7.328 -1.540
121 HD1 HIS 13 HD1 HIS 13 -9.231 -8.763 0.362
122 HD2 HIS 13 HD2 HIS 13 -5.755 -10.113 -1.464
123 HE1 HIS 13 HE1 HIS 13 -8.381 -10.611 1.825
124 HE2 HIS 13 HE2 HIS 13 -6.415 -11.555 0.563
125 H GLY 14 HN GLY 14 -7.045 -6.933 -4.657
126 HA2 GLY 14 HA2 GLY 14 -9.296 -5.708 -6.088
127 HA3 GLY 14 HA1 GLY 14 -8.398 -4.662 -4.990
128 H THR 15 HN THR 15 -8.507 -4.079 -7.662
129 HA THR 15 HA THR 15 -6.016 -4.980 -8.929
130 HB THR 15 HB THR 15 -6.807 -3.578 -10.858
131 HG1 THR 15 HG1 THR 15 -9.144 -2.914 -10.581
132 HG21 THR 15 HG21 THR 15 -8.896 -5.535 -9.819
133 HG22 THR 15 HG22 THR 15 -7.468 -5.954 -10.769
134 HG23 THR 15 HG23 THR 15 -8.746 -4.975 -11.489
135 H GLN 16 HN GLN 16 -4.849 -3.053 -10.120
136 HA GLN 16 HA GLN 16 -3.733 -1.293 -8.157
137 HB2 GLN 16 HB2 GLN 16 -3.411 -1.150 -11.198
138 HB3 GLN 16 HB1 GLN 16 -2.428 -0.290 -10.020
139 HG2 GLN 16 HG2 GLN 16 -1.111 -2.119 -10.791
140 HG3 GLN 16 HG1 GLN 16 -1.622 -2.521 -9.160
141 HE21 GLN 16 HE21 GLN 16 -3.107 -4.247 -8.869
142 HE22 GLN 16 HE22 GLN 16 -3.457 -5.385 -10.118
143 H SER 17 HN SER 17 -6.050 -1.063 -10.760
144 HA SER 17 HA SER 17 -6.715 1.645 -10.759
145 HB2 SER 17 HB2 SER 17 -8.585 -0.710 -11.244
146 HB3 SER 17 HB1 SER 17 -8.766 0.936 -11.867
147 HG SER 17 HG SER 17 -6.394 0.112 -12.618
148 H ALA 18 HN ALA 18 -8.079 -1.088 -8.907
149 HA ALA 18 HA ALA 18 -10.134 0.266 -7.532
150 HB1 ALA 18 HB1 ALA 18 -10.016 -2.204 -7.756
151 HB2 ALA 18 HB2 ALA 18 -10.211 -1.702 -6.075
152 HB3 ALA 18 HB3 ALA 18 -8.628 -2.227 -6.660
153 H LEU 19 HN LEU 19 -6.785 -0.419 -6.752
154 HA LEU 19 HA LEU 19 -6.878 0.346 -4.021
155 HB2 LEU 19 HB2 LEU 19 -5.224 -1.235 -4.875
156 HB3 LEU 19 HB1 LEU 19 -4.544 -0.012 -5.933
157 HG LEU 19 HG LEU 19 -3.641 1.224 -4.013
158 HD11 LEU 19 HD11 LEU 19 -5.376 0.818 -2.351
159 HD12 LEU 19 HD12 LEU 19 -3.794 0.388 -1.709
160 HD13 LEU 19 HD13 LEU 19 -4.906 -0.882 -2.234
161 HD21 LEU 19 HD21 LEU 19 -1.974 -0.388 -3.246
162 HD22 LEU 19 HD22 LEU 19 -2.276 -0.573 -4.971
163 HD23 LEU 19 HD23 LEU 19 -2.970 -1.726 -3.827
164 H ALA 20 HN ALA 20 -5.558 1.934 -6.940
165 HA ALA 20 HA ALA 20 -4.880 4.450 -5.830
166 HB1 ALA 20 HB1 ALA 20 -4.850 5.214 -8.174
167 HB2 ALA 20 HB2 ALA 20 -5.703 3.753 -8.682
168 HB3 ALA 20 HB3 ALA 20 -4.072 3.638 -8.017
169 H ALA 21 HN ALA 21 -7.952 3.212 -7.141
170 HA ALA 21 HA ALA 21 -9.362 5.687 -7.199
171 HB1 ALA 21 HB1 ALA 21 -11.387 4.309 -7.461
172 HB2 ALA 21 HB2 ALA 21 -10.469 2.862 -7.031
173 HB3 ALA 21 HB3 ALA 21 -10.090 3.739 -8.515
174 H ALA 22 HN ALA 22 -8.869 3.217 -4.735
175 HA ALA 22 HA ALA 22 -10.707 4.202 -2.786
176 HB1 ALA 22 HB1 ALA 22 -9.500 2.744 -1.217
177 HB2 ALA 22 HB2 ALA 22 -8.199 2.531 -2.392
178 HB3 ALA 22 HB3 ALA 22 -9.812 1.898 -2.737
179 H LEU 23 HN LEU 23 -7.241 4.648 -3.351
180 HA LEU 23 HA LEU 23 -6.760 6.379 -1.114
181 HB2 LEU 23 HB2 LEU 23 -5.062 5.917 -3.597
182 HB3 LEU 23 HB1 LEU 23 -4.512 6.640 -2.094
183 HG LEU 23 HG LEU 23 -5.395 3.743 -2.429
184 HD11 LEU 23 HD11 LEU 23 -3.286 4.154 -3.579
185 HD12 LEU 23 HD12 LEU 23 -3.043 3.138 -2.161
186 HD13 LEU 23 HD13 LEU 23 -2.591 4.846 -2.110
187 HD21 LEU 23 HD21 LEU 23 -5.887 4.476 -0.180
188 HD22 LEU 23 HD22 LEU 23 -4.269 5.164 0.007
189 HD23 LEU 23 HD23 LEU 23 -4.476 3.414 -0.135
190 H GLY 24 HN GLY 24 -8.025 6.854 -4.276
191 HA2 GLY 24 HA2 GLY 24 -8.823 8.721 -5.350
192 HA3 GLY 24 HA1 GLY 24 -8.317 9.712 -3.990
193 H VAL 25 HN VAL 25 -6.009 7.629 -5.494
194 HA VAL 25 HA VAL 25 -4.561 9.923 -6.685
195 HB VAL 25 HB VAL 25 -2.467 8.874 -6.084
196 HG11 VAL 25 HG11 VAL 25 -4.331 8.607 -3.702
197 HG12 VAL 25 HG12 VAL 25 -3.608 10.121 -4.267
198 HG13 VAL 25 HG13 VAL 25 -2.581 8.834 -3.638
199 HG21 VAL 25 HG21 VAL 25 -2.994 6.509 -6.537
200 HG22 VAL 25 HG22 VAL 25 -4.044 6.445 -5.122
201 HG23 VAL 25 HG23 VAL 25 -2.304 6.672 -4.919
202 H ASN 26 HN ASN 26 -2.819 8.991 -8.286
203 HA ASN 26 HA ASN 26 -4.193 7.541 -10.406
204 HB2 ASN 26 HB2 ASN 26 -2.925 9.612 -10.925
205 HB3 ASN 26 HB1 ASN 26 -1.451 8.873 -10.314
206 HD21 ASN 26 HD21 ASN 26 -0.488 9.334 -12.330
207 HD22 ASN 26 HD22 ASN 26 -0.773 8.333 -13.710
208 H GLN 27 HN GLN 27 -3.318 5.624 -11.400
209 HA GLN 27 HA GLN 27 -2.332 3.627 -9.660
210 HB2 GLN 27 HB2 GLN 27 -2.389 3.662 -12.704
211 HB3 GLN 27 HB1 GLN 27 -2.012 2.239 -11.733
212 HG2 GLN 27 HG2 GLN 27 -4.268 2.331 -10.732
213 HG3 GLN 27 HG1 GLN 27 -4.665 3.722 -11.742
214 HE21 GLN 27 HE21 GLN 27 -4.942 3.419 -13.978
215 HE22 GLN 27 HE22 GLN 27 -5.168 1.850 -14.667
216 H SER 28 HN SER 28 -0.686 5.912 -11.731
217 HA SER 28 HA SER 28 1.857 4.772 -11.895
218 HB2 SER 28 HB2 SER 28 1.076 7.713 -11.824
219 HB3 SER 28 HB1 SER 28 2.645 7.091 -12.342
220 HG SER 28 HG SER 28 1.737 6.217 -14.106
221 H ALA 29 HN ALA 29 0.265 6.354 -9.183
222 HA ALA 29 HA ALA 29 2.473 6.798 -7.470
223 HB1 ALA 29 HB1 ALA 29 0.186 7.625 -6.983
224 HB2 ALA 29 HB2 ALA 29 0.846 6.697 -5.639
225 HB3 ALA 29 HB3 ALA 29 -0.349 5.963 -6.709
226 H ILE 30 HN ILE 30 0.241 4.021 -7.606
227 HA ILE 30 HA ILE 30 1.645 2.336 -5.838
228 HB ILE 30 HB ILE 30 -0.386 1.710 -8.037
229 HG12 ILE 30 HG12 ILE 30 -1.839 1.137 -5.957
230 HG13 ILE 30 HG11 ILE 30 -0.596 1.938 -5.007
231 HG21 ILE 30 HG21 ILE 30 0.722 -0.277 -6.032
232 HG22 ILE 30 HG22 ILE 30 0.948 -0.322 -7.782
233 HG23 ILE 30 HG23 ILE 30 -0.660 -0.560 -7.095
234 HD11 ILE 30 HD11 ILE 30 -1.049 4.011 -6.204
235 HD12 ILE 30 HD12 ILE 30 -2.494 3.360 -5.422
236 HD13 ILE 30 HD13 ILE 30 -2.273 3.177 -7.164
237 H SER 31 HN SER 31 1.974 2.898 -9.300
238 HA SER 31 HA SER 31 3.622 0.683 -9.997
239 HB2 SER 31 HB2 SER 31 2.292 2.075 -11.621
240 HB3 SER 31 HB1 SER 31 3.406 3.411 -11.353
241 HG SER 31 HG SER 31 3.632 1.455 -13.075
242 H GLN 32 HN GLN 32 4.396 4.038 -8.940
243 HA GLN 32 HA GLN 32 7.241 3.798 -9.160
244 HB2 GLN 32 HB2 GLN 32 5.497 5.683 -7.511
245 HB3 GLN 32 HB1 GLN 32 7.252 5.814 -7.583
246 HG2 GLN 32 HG2 GLN 32 5.364 6.093 -9.945
247 HG3 GLN 32 HG1 GLN 32 6.133 7.419 -9.080
248 HE21 GLN 32 HE21 GLN 32 8.739 6.089 -8.837
249 HE22 GLN 32 HE22 GLN 32 9.428 6.116 -10.417
250 H MET 33 HN MET 33 4.885 2.983 -6.732
251 HA MET 33 HA MET 33 6.638 2.526 -4.498
252 HB2 MET 33 HB2 MET 33 3.781 1.636 -5.034
253 HB3 MET 33 HB1 MET 33 4.591 1.600 -3.470
254 HG2 MET 33 HG2 MET 33 4.679 4.279 -4.721
255 HG3 MET 33 HG1 MET 33 3.039 3.719 -4.438
256 HE1 MET 33 HE1 MET 33 3.320 1.917 -2.032
257 HE2 MET 33 HE2 MET 33 2.064 3.170 -2.061
258 HE3 MET 33 HE3 MET 33 3.109 2.989 -0.642
259 H VAL 34 HN VAL 34 5.237 0.567 -7.060
260 HA VAL 34 HA VAL 34 6.199 -2.005 -6.282
261 HB VAL 34 HB VAL 34 5.175 -0.857 -8.919
262 HG11 VAL 34 HG11 VAL 34 6.010 -3.749 -8.506
263 HG12 VAL 34 HG12 VAL 34 6.832 -2.578 -9.538
264 HG13 VAL 34 HG13 VAL 34 5.193 -3.097 -9.934
265 HG21 VAL 34 HG21 VAL 34 3.233 -2.349 -8.543
266 HG22 VAL 34 HG22 VAL 34 3.482 -1.276 -7.161
267 HG23 VAL 34 HG23 VAL 34 3.993 -2.960 -7.069
268 H ARG 35 HN ARG 35 7.383 0.594 -8.369
269 HA ARG 35 HA ARG 35 9.567 -0.816 -9.543
270 HB2 ARG 35 HB2 ARG 35 8.215 1.334 -10.349
271 HB3 ARG 35 HB1 ARG 35 9.435 2.211 -9.449
272 HG2 ARG 35 HG2 ARG 35 10.462 0.205 -11.416
273 HG3 ARG 35 HG1 ARG 35 9.624 1.591 -12.100
274 HD2 ARG 35 HD2 ARG 35 11.916 2.188 -12.100
275 HD3 ARG 35 HD1 ARG 35 11.214 3.055 -10.736
276 HE ARG 35 HE ARG 35 12.276 0.595 -9.850
277 HH11 ARG 35 HH11 ARG 35 14.942 3.582 -10.228
278 HH12 ARG 35 HH12 ARG 35 13.443 3.677 -11.092
279 HH21 ARG 35 HH21 ARG 35 15.378 1.801 -8.851
280 HH22 ARG 35 HH22 ARG 35 14.202 0.539 -8.668
281 H ALA 36 HN ALA 36 9.199 1.325 -6.773
282 HA ALA 36 HA ALA 36 11.883 1.792 -6.089
283 HB1 ALA 36 HB1 ALA 36 10.006 3.051 -5.115
284 HB2 ALA 36 HB2 ALA 36 11.007 2.344 -3.844
285 HB3 ALA 36 HB3 ALA 36 9.459 1.604 -4.267
286 H GLY 37 HN GLY 37 9.889 -1.053 -5.752
287 HA2 GLY 37 HA2 GLY 37 10.415 -3.215 -5.190
288 HA3 GLY 37 HA1 GLY 37 12.089 -2.725 -4.967
289 H ARG 38 HN ARG 38 9.742 -0.953 -3.231
290 HA ARG 38 HA ARG 38 10.576 -2.116 -0.661
291 HB2 ARG 38 HB2 ARG 38 10.641 0.412 -1.170
292 HB3 ARG 38 HB1 ARG 38 8.889 0.381 -1.201
293 HG2 ARG 38 HG2 ARG 38 10.490 -0.426 1.254
294 HG3 ARG 38 HG1 ARG 38 10.027 1.243 0.940
295 HD2 ARG 38 HD2 ARG 38 7.605 0.398 0.869
296 HD3 ARG 38 HD1 ARG 38 8.213 -1.121 1.528
297 HE ARG 38 HE ARG 38 9.070 1.066 3.125
298 HH11 ARG 38 HH11 ARG 38 5.447 -0.468 4.010
299 HH12 ARG 38 HH12 ARG 38 6.150 -0.815 2.464
300 HH21 ARG 38 HH21 ARG 38 6.524 0.855 5.490
301 HH22 ARG 38 HH22 ARG 38 8.069 1.546 5.107
302 H CYS 39 HN CYS 39 9.222 -3.544 0.335
303 HA CYS 39 HA CYS 39 6.755 -4.428 -0.768
304 HB2 CYS 39 HB2 CYS 39 8.052 -5.991 0.536
305 HB3 CYS 39 HB1 CYS 39 8.089 -4.912 1.927
306 HG CYS 39 HG CYS 39 5.555 -5.355 2.763
307 H ILE 40 HN ILE 40 4.866 -3.332 -0.675
308 HA ILE 40 HA ILE 40 4.462 -1.239 1.366
309 HB ILE 40 HB ILE 40 2.921 -1.698 -1.225
310 HG12 ILE 40 HG12 ILE 40 5.215 -1.072 -1.786
311 HG13 ILE 40 HG11 ILE 40 4.130 0.263 -2.138
312 HG21 ILE 40 HG21 ILE 40 2.804 0.634 0.681
313 HG22 ILE 40 HG22 ILE 40 1.553 -0.586 0.451
314 HG23 ILE 40 HG23 ILE 40 1.955 0.523 -0.861
315 HD11 ILE 40 HD11 ILE 40 6.194 1.033 -1.192
316 HD12 ILE 40 HD12 ILE 40 5.951 0.035 0.240
317 HD13 ILE 40 HD13 ILE 40 4.858 1.383 -0.097
318 H ASP 41 HN ASP 41 2.994 -1.534 2.949
319 HA ASP 41 HA ASP 41 1.298 -3.912 2.998
320 HB2 ASP 41 HB2 ASP 41 1.798 -1.733 5.079
321 HB3 ASP 41 HB1 ASP 41 0.689 -3.083 5.321
322 H ILE 42 HN ILE 42 -0.600 -3.775 1.999
323 HA ILE 42 HA ILE 42 -2.167 -1.328 1.929
324 HB ILE 42 HB ILE 42 -2.903 -4.096 0.872
325 HG12 ILE 42 HG12 ILE 42 -0.942 -3.329 -0.355
326 HG13 ILE 42 HG11 ILE 42 -2.331 -3.070 -1.402
327 HG21 ILE 42 HG21 ILE 42 -4.885 -2.700 1.299
328 HG22 ILE 42 HG22 ILE 42 -4.638 -2.880 -0.440
329 HG23 ILE 42 HG23 ILE 42 -4.180 -1.378 0.365
330 HD11 ILE 42 HD11 ILE 42 -2.315 -0.673 -0.746
331 HD12 ILE 42 HD12 ILE 42 -0.842 -1.206 -1.552
332 HD13 ILE 42 HD13 ILE 42 -0.848 -0.981 0.194
333 H GLU 43 HN GLU 43 -2.942 -0.838 3.835
334 HA GLU 43 HA GLU 43 -3.729 -2.696 5.861
335 HB2 GLU 43 HB2 GLU 43 -2.672 -0.589 6.455
336 HB3 GLU 43 HB1 GLU 43 -3.924 0.336 5.633
337 HG2 GLU 43 HG2 GLU 43 -5.559 -0.280 7.294
338 HG3 GLU 43 HG1 GLU 43 -4.437 -1.417 8.043
339 H LEU 44 HN LEU 44 -5.396 -3.886 5.221
340 HA LEU 44 HA LEU 44 -7.766 -2.868 3.905
341 HB2 LEU 44 HB2 LEU 44 -6.822 -5.023 3.214
342 HB3 LEU 44 HB1 LEU 44 -6.954 -5.640 4.851
343 HG LEU 44 HG LEU 44 -9.493 -5.438 4.636
344 HD11 LEU 44 HD11 LEU 44 -9.613 -3.812 2.823
345 HD12 LEU 44 HD12 LEU 44 -10.467 -5.290 2.385
346 HD13 LEU 44 HD13 LEU 44 -8.865 -4.963 1.706
347 HD21 LEU 44 HD21 LEU 44 -8.274 -7.583 4.369
348 HD22 LEU 44 HD22 LEU 44 -8.195 -7.292 2.623
349 HD23 LEU 44 HD23 LEU 44 -9.760 -7.502 3.423
350 H TYR 45 HN TYR 45 -9.344 -1.994 5.093
351 HA TYR 45 HA TYR 45 -9.895 -2.647 7.862
352 HB2 TYR 45 HB2 TYR 45 -11.311 -0.831 5.869
353 HB3 TYR 45 HB1 TYR 45 -11.758 -0.973 7.563
354 HD1 TYR 45 HD1 TYR 45 -10.383 0.079 9.317
355 HD2 TYR 45 HD2 TYR 45 -9.211 0.348 5.209
356 HE1 TYR 45 HE1 TYR 45 -8.798 1.870 9.880
357 HE2 TYR 45 HE2 TYR 45 -7.637 2.135 5.782
358 HH TYR 45 HH TYR 45 -7.135 3.703 7.425
359 H THR 46 HN THR 46 -12.126 -3.307 8.505
360 HA THR 46 HA THR 46 -12.675 -5.800 7.160
361 HB THR 46 HB THR 46 -12.478 -5.638 9.651
362 HG1 THR 46 HG1 THR 46 -14.973 -6.611 8.655
363 HG21 THR 46 HG21 THR 46 -14.358 -4.788 10.998
364 HG22 THR 46 HG22 THR 46 -15.200 -4.272 9.536
365 HG23 THR 46 HG23 THR 46 -13.689 -3.489 10.005
366 H ASP 47 HN ASP 47 -13.966 -2.723 6.734
367 HA ASP 47 HA ASP 47 -16.637 -3.624 5.882
368 HB2 ASP 47 HB2 ASP 47 -17.147 -1.280 5.525
369 HB3 ASP 47 HB1 ASP 47 -16.326 -1.417 7.079
370 H GLY 48 HN GLY 48 -13.484 -3.118 4.583
371 HA2 GLY 48 HA2 GLY 48 -13.022 -4.085 2.392
372 HA3 GLY 48 HA1 GLY 48 -14.496 -3.352 1.792
373 H ARG 49 HN ARG 49 -13.372 -0.964 3.686
374 HA ARG 49 HA ARG 49 -12.113 0.599 1.664
375 HB2 ARG 49 HB2 ARG 49 -13.221 1.656 3.602
376 HB3 ARG 49 HB1 ARG 49 -12.089 0.877 4.701
377 HG2 ARG 49 HG2 ARG 49 -10.231 2.218 3.649
378 HG3 ARG 49 HG1 ARG 49 -11.447 3.069 2.692
379 HD2 ARG 49 HD2 ARG 49 -12.454 4.007 4.692
380 HD3 ARG 49 HD1 ARG 49 -11.431 3.000 5.730
381 HE ARG 49 HE ARG 49 -9.888 4.661 3.977
382 HH11 ARG 49 HH11 ARG 49 -10.711 6.106 7.640
383 HH12 ARG 49 HH12 ARG 49 -11.655 4.782 7.034
384 HH21 ARG 49 HH21 ARG 49 -8.654 6.324 4.808
385 HH22 ARG 49 HH22 ARG 49 -9.002 6.981 6.376
386 H VAL 50 HN VAL 50 -9.893 0.943 1.241
387 HA VAL 50 HA VAL 50 -7.916 -0.503 2.912
388 HB VAL 50 HB VAL 50 -6.499 -0.881 0.886
389 HG11 VAL 50 HG11 VAL 50 -7.908 -2.689 1.735
390 HG12 VAL 50 HG12 VAL 50 -7.789 -2.773 -0.020
391 HG13 VAL 50 HG13 VAL 50 -9.255 -2.145 0.730
392 HG21 VAL 50 HG21 VAL 50 -8.925 0.052 -0.710
393 HG22 VAL 50 HG22 VAL 50 -7.476 -0.696 -1.389
394 HG23 VAL 50 HG23 VAL 50 -7.368 0.880 -0.607
395 H GLU 51 HN GLU 51 -5.972 0.491 3.270
396 HA GLU 51 HA GLU 51 -5.582 3.275 2.383
397 HB2 GLU 51 HB2 GLU 51 -6.615 3.264 4.657
398 HB3 GLU 51 HB1 GLU 51 -5.300 2.254 5.247
399 HG2 GLU 51 HG2 GLU 51 -3.687 4.053 4.850
400 HG3 GLU 51 HG1 GLU 51 -4.946 5.058 4.129
401 H CYS 52 HN CYS 52 -3.645 3.391 1.481
402 HA CYS 52 HA CYS 52 -1.431 1.650 2.315
403 HB2 CYS 52 HB2 CYS 52 -1.746 1.822 -0.112
404 HB3 CYS 52 HB1 CYS 52 -1.663 3.581 -0.024
405 HG CYS 52 HG CYS 52 0.984 1.945 1.233
406 H ARG 53 HN ARG 53 -0.632 2.452 4.197
407 HA ARG 53 HA ARG 53 -0.686 5.187 4.977
408 HB2 ARG 53 HB2 ARG 53 1.076 2.989 6.131
409 HB3 ARG 53 HB1 ARG 53 0.612 4.498 6.923
410 HG2 ARG 53 HG2 ARG 53 -1.766 3.739 6.885
411 HG3 ARG 53 HG1 ARG 53 -1.238 2.205 6.185
412 HD2 ARG 53 HD2 ARG 53 -1.533 1.874 8.554
413 HD3 ARG 53 HD1 ARG 53 0.200 1.861 8.219
414 HE ARG 53 HE ARG 53 0.450 3.805 9.411
415 HH11 ARG 53 HH11 ARG 53 -2.981 3.210 8.935
416 HH12 ARG 53 HH12 ARG 53 -3.472 4.456 10.036
417 HH21 ARG 53 HH21 ARG 53 -1.904 5.731 11.128
418 HH22 ARG 53 HH22 ARG 53 -0.211 5.454 10.859
419 H GLU 54 HN GLU 54 1.641 3.226 3.325
420 HA GLU 54 HA GLU 54 3.963 4.781 3.299
421 HB2 GLU 54 HB2 GLU 54 2.720 2.925 1.247
422 HB3 GLU 54 HB1 GLU 54 4.288 3.666 0.987
423 HG2 GLU 54 HG2 GLU 54 4.442 1.353 1.748
424 HG3 GLU 54 HG1 GLU 54 5.227 2.489 2.817
425 H LEU 55 HN LEU 55 0.988 5.034 1.449
426 HA LEU 55 HA LEU 55 2.057 6.682 -0.635
427 HB2 LEU 55 HB2 LEU 55 0.091 4.922 -0.748
428 HB3 LEU 55 HB1 LEU 55 -0.906 6.245 -0.192
429 HG LEU 55 HG LEU 55 -1.025 5.954 -2.650
430 HD11 LEU 55 HD11 LEU 55 -0.693 8.241 -3.372
431 HD12 LEU 55 HD12 LEU 55 0.311 8.577 -1.959
432 HD13 LEU 55 HD13 LEU 55 -1.403 8.207 -1.758
433 HD21 LEU 55 HD21 LEU 55 0.916 6.469 -4.083
434 HD22 LEU 55 HD22 LEU 55 1.187 5.048 -3.079
435 HD23 LEU 55 HD23 LEU 55 1.942 6.588 -2.652
436 H ARG 56 HN ARG 56 2.824 8.419 0.516
437 HA ARG 56 HA ARG 56 0.920 10.430 1.470
438 HB2 ARG 56 HB2 ARG 56 3.949 10.515 1.124
439 HB3 ARG 56 HB1 ARG 56 2.972 11.835 1.774
440 HG2 ARG 56 HG2 ARG 56 2.240 10.331 3.635
441 HG3 ARG 56 HG1 ARG 56 3.303 9.071 3.001
442 HD2 ARG 56 HD2 ARG 56 5.240 10.562 3.357
443 HD3 ARG 56 HD1 ARG 56 4.157 11.792 4.014
444 HE ARG 56 HE ARG 56 3.578 9.964 5.720
445 HH11 ARG 56 HH11 ARG 56 6.800 10.331 4.350
446 HH12 ARG 56 HH12 ARG 56 7.592 9.652 5.736
447 HH21 ARG 56 HH21 ARG 56 6.364 8.978 7.545
448 HH22 ARG 56 HH22 ARG 56 4.637 9.135 7.541
449 HA PRO 57 HA PRO 57 0.463 12.328 -2.648
450 HB2 PRO 57 HB2 PRO 57 0.450 15.043 -1.932
451 HB3 PRO 57 HB1 PRO 57 -0.960 13.966 -1.836
452 HG2 PRO 57 HG2 PRO 57 0.950 14.772 0.341
453 HG3 PRO 57 HG1 PRO 57 -0.824 14.639 0.390
454 HD2 PRO 57 HD2 PRO 57 0.710 12.705 1.439
455 HD3 PRO 57 HD1 PRO 57 -0.782 12.294 0.561
456 H ASP 58 HN ASP 58 3.198 12.813 -0.658
457 HA ASP 58 HA ASP 58 4.735 14.647 -2.217
458 HB2 ASP 58 HB2 ASP 58 4.972 14.202 0.272
459 HB3 ASP 58 HB1 ASP 58 5.710 12.656 -0.126
460 H VAL 59 HN VAL 59 4.018 11.333 -2.561
461 HA VAL 59 HA VAL 59 6.288 10.084 -3.512
462 HB VAL 59 HB VAL 59 3.338 9.636 -4.098
463 HG11 VAL 59 HG11 VAL 59 5.616 7.854 -5.084
464 HG12 VAL 59 HG12 VAL 59 4.499 8.762 -6.103
465 HG13 VAL 59 HG13 VAL 59 3.905 7.419 -5.124
466 HG21 VAL 59 HG21 VAL 59 3.660 7.636 -2.643
467 HG22 VAL 59 HG22 VAL 59 4.111 9.127 -1.811
468 HG23 VAL 59 HG23 VAL 59 5.363 8.061 -2.451
469 H PHE 60 HN PHE 60 3.860 11.842 -5.509
470 HA PHE 60 HA PHE 60 5.872 12.838 -7.293
471 HB2 PHE 60 HB2 PHE 60 5.318 11.744 -9.353
472 HB3 PHE 60 HB1 PHE 60 5.516 10.456 -8.176
473 HD1 PHE 60 HD1 PHE 60 3.085 10.004 -6.863
474 HD2 PHE 60 HD2 PHE 60 3.597 11.354 -10.888
475 HE1 PHE 60 HE1 PHE 60 0.857 9.155 -7.450
476 HE2 PHE 60 HE2 PHE 60 1.362 10.494 -11.455
477 HZ PHE 60 HZ PHE 60 -0.007 9.398 -9.733
478 H GLY 61 HN GLY 61 3.561 13.708 -5.572
479 HA2 GLY 61 HA2 GLY 61 1.863 15.296 -5.669
480 HA3 GLY 61 HA1 GLY 61 1.980 15.316 -7.431
481 H ALA 62 HN ALA 62 1.417 12.752 -5.027
482 HA ALA 62 HA ALA 62 -0.470 11.368 -6.705
483 HB1 ALA 62 HB1 ALA 62 1.151 10.151 -5.306
484 HB2 ALA 62 HB2 ALA 62 -0.505 9.705 -4.894
485 HB3 ALA 62 HB3 ALA 62 0.397 10.800 -3.844
Start of MODEL 18
1 H1 MET 1 HT1 MET 1 -8.670 -6.996 12.651
2 H2 MET 1 HT2 MET 1 -7.448 -7.816 13.483
3 H3 MET 1 HT3 MET 1 -7.948 -8.364 11.967
4 HA MET 1 HA MET 1 -7.115 -6.390 10.919
5 HB2 MET 1 HB2 MET 1 -6.247 -5.671 13.755
6 HB3 MET 1 HB1 MET 1 -5.693 -4.828 12.313
7 HG2 MET 1 HG2 MET 1 -7.944 -4.065 11.839
8 HG3 MET 1 HG1 MET 1 -8.586 -5.023 13.172
9 HE1 MET 1 HE1 MET 1 -5.963 -1.240 13.737
10 HE2 MET 1 HE2 MET 1 -6.500 -1.828 12.161
11 HE3 MET 1 HE3 MET 1 -5.297 -2.734 13.081
12 H LYS 2 HN LYS 2 -5.943 -7.971 9.864
13 HA LYS 2 HA LYS 2 -3.389 -8.832 11.053
14 HB2 LYS 2 HB2 LYS 2 -3.562 -10.925 9.845
15 HB3 LYS 2 HB1 LYS 2 -5.034 -10.668 10.753
16 HG2 LYS 2 HG2 LYS 2 -5.941 -11.463 8.797
17 HG3 LYS 2 HG1 LYS 2 -5.960 -9.737 8.456
18 HD2 LYS 2 HD2 LYS 2 -5.157 -11.010 6.499
19 HD3 LYS 2 HD1 LYS 2 -3.886 -9.960 7.128
20 HE2 LYS 2 HE2 LYS 2 -2.898 -11.913 8.322
21 HE3 LYS 2 HE1 LYS 2 -4.128 -12.954 7.597
22 HZ1 LYS 2 HZ1 LYS 2 -2.163 -11.345 6.056
23 HZ2 LYS 2 HZ2 LYS 2 -3.240 -12.491 5.432
24 HZ3 LYS 2 HZ3 LYS 2 -1.965 -12.980 6.427
25 H LYS 3 HN LYS 3 -1.680 -9.231 9.454
26 HA LYS 3 HA LYS 3 -1.594 -7.041 7.466
27 HB2 LYS 3 HB2 LYS 3 0.640 -8.535 8.885
28 HB3 LYS 3 HB1 LYS 3 0.859 -7.197 7.764
29 HG2 LYS 3 HG2 LYS 3 -0.228 -5.656 9.322
30 HG3 LYS 3 HG1 LYS 3 -0.592 -6.990 10.422
31 HD2 LYS 3 HD2 LYS 3 2.195 -6.034 9.655
32 HD3 LYS 3 HD1 LYS 3 1.378 -5.684 11.180
33 HE2 LYS 3 HE2 LYS 3 1.416 -8.042 11.792
34 HE3 LYS 3 HE1 LYS 3 2.076 -8.483 10.215
35 HZ1 LYS 3 HZ1 LYS 3 3.434 -6.818 12.259
36 HZ2 LYS 3 HZ2 LYS 3 4.072 -7.219 10.749
37 HZ3 LYS 3 HZ3 LYS 3 3.793 -8.430 11.901
38 H ILE 4 HN ILE 4 -0.713 -7.397 5.408
39 HA ILE 4 HA ILE 4 -0.305 -10.190 4.512
40 HB ILE 4 HB ILE 4 -1.924 -8.045 3.092
41 HG12 ILE 4 HG12 ILE 4 -2.762 -10.663 4.396
42 HG13 ILE 4 HG11 ILE 4 -3.298 -9.038 4.811
43 HG21 ILE 4 HG21 ILE 4 -1.336 -10.837 2.081
44 HG22 ILE 4 HG22 ILE 4 -0.637 -9.346 1.453
45 HG23 ILE 4 HG23 ILE 4 -2.366 -9.634 1.292
46 HD11 ILE 4 HD11 ILE 4 -5.065 -10.081 3.680
47 HD12 ILE 4 HD12 ILE 4 -4.001 -10.666 2.401
48 HD13 ILE 4 HD13 ILE 4 -4.359 -8.941 2.525
49 HA PRO 5 HA PRO 5 3.371 -8.389 2.439
50 HB2 PRO 5 HB2 PRO 5 3.162 -10.768 0.617
51 HB3 PRO 5 HB1 PRO 5 4.491 -10.298 1.698
52 HG2 PRO 5 HG2 PRO 5 2.940 -12.414 2.259
53 HG3 PRO 5 HG1 PRO 5 3.558 -11.351 3.547
54 HD2 PRO 5 HD2 PRO 5 0.816 -11.365 2.276
55 HD3 PRO 5 HD1 PRO 5 1.243 -11.255 3.993
56 H LEU 6 HN LEU 6 3.558 -7.047 0.626
57 HA LEU 6 HA LEU 6 1.323 -5.987 -0.570
58 HB2 LEU 6 HB2 LEU 6 3.455 -4.809 -0.429
59 HB3 LEU 6 HB1 LEU 6 4.194 -5.948 -1.539
60 HG LEU 6 HG LEU 6 2.667 -5.125 -3.353
61 HD11 LEU 6 HD11 LEU 6 0.818 -4.268 -2.031
62 HD12 LEU 6 HD12 LEU 6 1.456 -3.006 -3.078
63 HD13 LEU 6 HD13 LEU 6 1.845 -2.997 -1.356
64 HD21 LEU 6 HD21 LEU 6 4.960 -4.258 -3.170
65 HD22 LEU 6 HD22 LEU 6 4.394 -2.958 -2.120
66 HD23 LEU 6 HD23 LEU 6 3.856 -3.038 -3.799
67 H SER 7 HN SER 7 3.684 -8.175 -2.111
68 HA SER 7 HA SER 7 2.539 -8.302 -4.665
69 HB2 SER 7 HB2 SER 7 4.189 -10.461 -3.289
70 HB3 SER 7 HB1 SER 7 4.020 -10.211 -5.025
71 HG SER 7 HG SER 7 4.941 -8.010 -4.471
72 H LYS 8 HN LYS 8 2.119 -10.422 -1.835
73 HA LYS 8 HA LYS 8 0.431 -12.346 -3.063
74 HB2 LYS 8 HB2 LYS 8 1.756 -12.697 -0.946
75 HB3 LYS 8 HB1 LYS 8 0.619 -11.665 -0.090
76 HG2 LYS 8 HG2 LYS 8 0.137 -14.032 0.313
77 HG3 LYS 8 HG1 LYS 8 -1.199 -13.263 -0.547
78 HD2 LYS 8 HD2 LYS 8 -0.370 -14.234 -2.679
79 HD3 LYS 8 HD1 LYS 8 0.958 -15.004 -1.805
80 HE2 LYS 8 HE2 LYS 8 -0.655 -16.357 -0.530
81 HE3 LYS 8 HE1 LYS 8 -1.997 -15.565 -1.363
82 HZ1 LYS 8 HZ1 LYS 8 0.111 -17.195 -2.678
83 HZ2 LYS 8 HZ2 LYS 8 -1.217 -16.483 -3.443
84 HZ3 LYS 8 HZ3 LYS 8 -1.454 -17.728 -2.324
85 H TYR 9 HN TYR 9 -0.178 -9.331 -1.370
86 HA TYR 9 HA TYR 9 -2.989 -9.494 -1.080
87 HB2 TYR 9 HB2 TYR 9 -1.695 -7.855 0.194
88 HB3 TYR 9 HB1 TYR 9 -1.139 -7.084 -1.272
89 HD1 TYR 9 HD1 TYR 9 -4.032 -7.574 0.953
90 HD2 TYR 9 HD2 TYR 9 -2.576 -5.492 -2.492
91 HE1 TYR 9 HE1 TYR 9 -5.989 -6.107 1.010
92 HE2 TYR 9 HE2 TYR 9 -4.549 -4.023 -2.427
93 HH TYR 9 HH TYR 9 -6.609 -3.784 0.172
94 H LEU 10 HN LEU 10 -0.904 -8.146 -3.620
95 HA LEU 10 HA LEU 10 -2.834 -6.928 -5.237
96 HB2 LEU 10 HB2 LEU 10 -0.161 -8.117 -6.043
97 HB3 LEU 10 HB1 LEU 10 -1.114 -7.032 -7.043
98 HG LEU 10 HG LEU 10 0.096 -6.281 -4.353
99 HD11 LEU 10 HD11 LEU 10 1.089 -5.562 -7.124
100 HD12 LEU 10 HD12 LEU 10 1.869 -6.659 -5.983
101 HD13 LEU 10 HD13 LEU 10 1.736 -4.946 -5.597
102 HD21 LEU 10 HD21 LEU 10 -1.286 -4.531 -6.407
103 HD22 LEU 10 HD22 LEU 10 -0.470 -3.955 -4.953
104 HD23 LEU 10 HD23 LEU 10 -1.908 -4.968 -4.812
105 H GLU 11 HN GLU 11 -1.731 -10.215 -5.064
106 HA GLU 11 HA GLU 11 -3.078 -11.166 -7.444
107 HB2 GLU 11 HB2 GLU 11 -1.724 -12.659 -5.157
108 HB3 GLU 11 HB1 GLU 11 -2.254 -13.390 -6.673
109 HG2 GLU 11 HG2 GLU 11 -0.622 -12.098 -7.934
110 HG3 GLU 11 HG1 GLU 11 -0.173 -11.185 -6.492
111 H GLU 12 HN GLU 12 -3.596 -11.393 -3.909
112 HA GLU 12 HA GLU 12 -5.683 -13.409 -4.297
113 HB2 GLU 12 HB2 GLU 12 -3.845 -13.818 -2.692
114 HB3 GLU 12 HB1 GLU 12 -4.361 -12.438 -1.733
115 HG2 GLU 12 HG2 GLU 12 -6.511 -13.593 -1.285
116 HG3 GLU 12 HG1 GLU 12 -5.949 -14.976 -2.214
117 H HIS 13 HN HIS 13 -5.386 -10.161 -2.801
118 HA HIS 13 HA HIS 13 -8.264 -10.247 -2.069
119 HB2 HIS 13 HB2 HIS 13 -5.940 -8.638 -0.965
120 HB3 HIS 13 HB1 HIS 13 -7.608 -8.203 -0.608
121 HD1 HIS 13 HD1 HIS 13 -8.144 -9.014 1.707
122 HD2 HIS 13 HD2 HIS 13 -5.754 -11.692 -0.388
123 HE1 HIS 13 HE1 HIS 13 -7.846 -11.001 3.221
124 HE2 HIS 13 HE2 HIS 13 -6.537 -12.661 1.868
125 H GLY 14 HN GLY 14 -5.873 -8.004 -3.528
126 HA2 GLY 14 HA2 GLY 14 -7.891 -6.759 -5.194
127 HA3 GLY 14 HA1 GLY 14 -7.332 -5.742 -3.870
128 H THR 15 HN THR 15 -6.975 -5.323 -6.761
129 HA THR 15 HA THR 15 -4.256 -6.099 -7.463
130 HB THR 15 HB THR 15 -4.815 -5.051 -9.666
131 HG1 THR 15 HG1 THR 15 -7.179 -4.422 -9.806
132 HG21 THR 15 HG21 THR 15 -7.004 -6.882 -8.642
133 HG22 THR 15 HG22 THR 15 -5.460 -7.400 -9.325
134 HG23 THR 15 HG23 THR 15 -6.645 -6.569 -10.339
135 H GLN 16 HN GLN 16 -3.076 -4.196 -8.772
136 HA GLN 16 HA GLN 16 -2.303 -2.230 -6.885
137 HB2 GLN 16 HB2 GLN 16 -1.719 -2.105 -9.872
138 HB3 GLN 16 HB1 GLN 16 -0.796 -1.362 -8.566
139 HG2 GLN 16 HG2 GLN 16 -0.389 -3.771 -7.742
140 HG3 GLN 16 HG1 GLN 16 -0.971 -4.279 -9.324
141 HE21 GLN 16 HE21 GLN 16 1.621 -2.851 -7.548
142 HE22 GLN 16 HE22 GLN 16 2.761 -2.832 -8.828
143 H SER 17 HN SER 17 -4.527 -2.232 -9.569
144 HA SER 17 HA SER 17 -5.162 0.543 -9.684
145 HB2 SER 17 HB2 SER 17 -6.930 -1.847 -10.382
146 HB3 SER 17 HB1 SER 17 -7.096 -0.199 -11.002
147 HG SER 17 HG SER 17 -4.601 -1.298 -11.423
148 H ALA 18 HN ALA 18 -6.590 -2.257 -8.039
149 HA ALA 18 HA ALA 18 -8.760 -0.942 -6.773
150 HB1 ALA 18 HB1 ALA 18 -8.633 -3.380 -7.144
151 HB2 ALA 18 HB2 ALA 18 -8.958 -2.988 -5.456
152 HB3 ALA 18 HB3 ALA 18 -7.336 -3.488 -5.947
153 H LEU 19 HN LEU 19 -5.443 -1.525 -5.855
154 HA LEU 19 HA LEU 19 -5.742 -0.990 -3.062
155 HB2 LEU 19 HB2 LEU 19 -4.010 -2.529 -3.827
156 HB3 LEU 19 HB1 LEU 19 -3.272 -1.281 -4.815
157 HG LEU 19 HG LEU 19 -2.507 -0.082 -2.821
158 HD11 LEU 19 HD11 LEU 19 -4.328 -0.546 -1.263
159 HD12 LEU 19 HD12 LEU 19 -2.778 -0.955 -0.540
160 HD13 LEU 19 HD13 LEU 19 -3.834 -2.239 -1.139
161 HD21 LEU 19 HD21 LEU 19 -1.059 -1.837 -3.748
162 HD22 LEU 19 HD22 LEU 19 -1.794 -3.037 -2.682
163 HD23 LEU 19 HD23 LEU 19 -0.847 -1.709 -2.004
164 H ALA 20 HN ALA 20 -4.420 0.747 -5.867
165 HA ALA 20 HA ALA 20 -3.778 3.215 -4.649
166 HB1 ALA 20 HB1 ALA 20 -3.884 4.140 -6.936
167 HB2 ALA 20 HB2 ALA 20 -4.704 2.681 -7.502
168 HB3 ALA 20 HB3 ALA 20 -3.044 2.588 -6.916
169 H ALA 21 HN ALA 21 -6.841 1.971 -5.965
170 HA ALA 21 HA ALA 21 -8.406 4.326 -5.695
171 HB1 ALA 21 HB1 ALA 21 -10.344 2.815 -5.903
172 HB2 ALA 21 HB2 ALA 21 -9.292 1.422 -5.631
173 HB3 ALA 21 HB3 ALA 21 -9.086 2.410 -7.075
174 H ALA 22 HN ALA 22 -7.723 1.621 -3.535
175 HA ALA 22 HA ALA 22 -9.559 2.196 -1.461
176 HB1 ALA 22 HB1 ALA 22 -8.256 0.574 -0.134
177 HB2 ALA 22 HB2 ALA 22 -6.962 0.617 -1.336
178 HB3 ALA 22 HB3 ALA 22 -8.546 -0.027 -1.770
179 H LEU 23 HN LEU 23 -6.100 2.908 -1.849
180 HA LEU 23 HA LEU 23 -5.781 4.289 0.653
181 HB2 LEU 23 HB2 LEU 23 -3.962 4.351 -1.781
182 HB3 LEU 23 HB1 LEU 23 -3.522 4.784 -0.136
183 HG LEU 23 HG LEU 23 -4.224 1.985 -1.093
184 HD11 LEU 23 HD11 LEU 23 -2.098 2.728 -2.031
185 HD12 LEU 23 HD12 LEU 23 -1.838 1.466 -0.830
186 HD13 LEU 23 HD13 LEU 23 -1.507 3.152 -0.420
187 HD21 LEU 23 HD21 LEU 23 -4.863 2.276 1.237
188 HD22 LEU 23 HD22 LEU 23 -3.260 2.902 1.631
189 HD23 LEU 23 HD23 LEU 23 -3.454 1.222 1.125
190 H GLY 24 HN GLY 24 -6.864 5.183 -2.513
191 HA2 GLY 24 HA2 GLY 24 -7.694 7.186 -3.336
192 HA3 GLY 24 HA1 GLY 24 -7.241 7.976 -1.831
193 H VAL 25 HN VAL 25 -4.983 6.088 -3.710
194 HA VAL 25 HA VAL 25 -3.397 8.505 -4.333
195 HB VAL 25 HB VAL 25 -1.377 7.220 -3.930
196 HG11 VAL 25 HG11 VAL 25 -3.351 6.770 -1.676
197 HG12 VAL 25 HG12 VAL 25 -2.419 8.245 -1.964
198 HG13 VAL 25 HG13 VAL 25 -1.594 6.750 -1.522
199 HG21 VAL 25 HG21 VAL 25 -2.055 4.999 -4.774
200 HG22 VAL 25 HG22 VAL 25 -3.140 4.784 -3.397
201 HG23 VAL 25 HG23 VAL 25 -1.396 4.860 -3.142
202 H ASN 26 HN ASN 26 -1.610 7.869 -6.015
203 HA ASN 26 HA ASN 26 -2.840 6.862 -8.448
204 HB2 ASN 26 HB2 ASN 26 -0.015 7.853 -7.847
205 HB3 ASN 26 HB1 ASN 26 -0.562 7.347 -9.447
206 HD21 ASN 26 HD21 ASN 26 -0.249 9.361 -10.373
207 HD22 ASN 26 HD22 ASN 26 -1.231 10.732 -10.001
208 H GLN 27 HN GLN 27 -2.150 5.017 -9.603
209 HA GLN 27 HA GLN 27 -1.189 2.719 -8.229
210 HB2 GLN 27 HB2 GLN 27 -1.292 3.313 -11.220
211 HB3 GLN 27 HB1 GLN 27 -0.852 1.745 -10.545
212 HG2 GLN 27 HG2 GLN 27 -3.111 1.633 -9.472
213 HG3 GLN 27 HG1 GLN 27 -3.534 3.132 -10.310
214 HE21 GLN 27 HE21 GLN 27 -3.824 3.082 -12.579
215 HE22 GLN 27 HE22 GLN 27 -4.007 1.600 -13.443
216 H SER 28 HN SER 28 0.358 5.289 -10.013
217 HA SER 28 HA SER 28 2.892 4.306 -10.548
218 HB2 SER 28 HB2 SER 28 2.263 7.150 -9.641
219 HB3 SER 28 HB1 SER 28 3.587 6.630 -10.691
220 HG SER 28 HG SER 28 1.802 7.505 -11.847
221 H ALA 29 HN ALA 29 1.555 5.455 -7.513
222 HA ALA 29 HA ALA 29 3.927 5.583 -5.938
223 HB1 ALA 29 HB1 ALA 29 1.058 5.090 -5.029
224 HB2 ALA 29 HB2 ALA 29 1.813 6.670 -5.262
225 HB3 ALA 29 HB3 ALA 29 2.409 5.588 -4.006
226 H ILE 30 HN ILE 30 1.390 3.024 -6.156
227 HA ILE 30 HA ILE 30 2.692 1.111 -4.542
228 HB ILE 30 HB ILE 30 0.586 0.680 -6.716
229 HG12 ILE 30 HG12 ILE 30 -0.857 0.140 -4.610
230 HG13 ILE 30 HG11 ILE 30 0.419 0.905 -3.674
231 HG21 ILE 30 HG21 ILE 30 1.607 -1.389 -4.736
232 HG22 ILE 30 HG22 ILE 30 1.827 -1.414 -6.487
233 HG23 ILE 30 HG23 ILE 30 0.212 -1.585 -5.804
234 HD11 ILE 30 HD11 ILE 30 0.024 2.985 -4.854
235 HD12 ILE 30 HD12 ILE 30 -1.453 2.372 -4.102
236 HD13 ILE 30 HD13 ILE 30 -1.210 2.197 -5.841
237 H SER 31 HN SER 31 2.820 1.694 -8.014
238 HA SER 31 HA SER 31 4.329 -0.559 -8.836
239 HB2 SER 31 HB2 SER 31 4.050 2.201 -10.124
240 HB3 SER 31 HB1 SER 31 4.613 0.737 -10.941
241 HG SER 31 HG SER 31 2.565 -0.162 -10.656
242 H GLN 32 HN GLN 32 5.230 2.704 -7.726
243 HA GLN 32 HA GLN 32 8.036 2.523 -8.168
244 HB2 GLN 32 HB2 GLN 32 6.812 4.666 -7.775
245 HB3 GLN 32 HB1 GLN 32 6.521 4.205 -6.109
246 HG2 GLN 32 HG2 GLN 32 9.348 4.482 -7.163
247 HG3 GLN 32 HG1 GLN 32 8.431 5.904 -6.682
248 HE21 GLN 32 HE21 GLN 32 7.846 6.132 -4.455
249 HE22 GLN 32 HE22 GLN 32 8.696 5.288 -3.212
250 H MET 33 HN MET 33 5.953 1.725 -5.463
251 HA MET 33 HA MET 33 7.902 0.989 -3.526
252 HB2 MET 33 HB2 MET 33 4.980 0.226 -3.761
253 HB3 MET 33 HB1 MET 33 5.959 0.089 -2.309
254 HG2 MET 33 HG2 MET 33 6.043 2.837 -3.293
255 HG3 MET 33 HG1 MET 33 4.382 2.305 -3.122
256 HE1 MET 33 HE1 MET 33 4.712 0.181 -0.813
257 HE2 MET 33 HE2 MET 33 3.380 1.346 -0.945
258 HE3 MET 33 HE3 MET 33 4.265 1.185 0.574
259 H VAL 34 HN VAL 34 6.247 -0.756 -6.074
260 HA VAL 34 HA VAL 34 7.053 -3.426 -5.375
261 HB VAL 34 HB VAL 34 5.853 -2.132 -7.867
262 HG11 VAL 34 HG11 VAL 34 6.571 -5.078 -7.629
263 HG12 VAL 34 HG12 VAL 34 7.308 -3.904 -8.720
264 HG13 VAL 34 HG13 VAL 34 5.616 -4.341 -8.922
265 HG21 VAL 34 HG21 VAL 34 3.877 -3.518 -7.307
266 HG22 VAL 34 HG22 VAL 34 4.333 -2.480 -5.959
267 HG23 VAL 34 HG23 VAL 34 4.735 -4.197 -5.919
268 H ARG 35 HN ARG 35 8.135 -1.048 -7.807
269 HA ARG 35 HA ARG 35 10.308 -2.703 -8.761
270 HB2 ARG 35 HB2 ARG 35 9.537 0.161 -9.421
271 HB3 ARG 35 HB1 ARG 35 10.792 -0.754 -10.251
272 HG2 ARG 35 HG2 ARG 35 7.818 -1.373 -10.225
273 HG3 ARG 35 HG1 ARG 35 8.749 -0.726 -11.576
274 HD2 ARG 35 HD2 ARG 35 9.064 -3.492 -10.345
275 HD3 ARG 35 HD1 ARG 35 8.296 -3.119 -11.893
276 HE ARG 35 HE ARG 35 10.990 -2.154 -11.762
277 HH11 ARG 35 HH11 ARG 35 10.381 -5.789 -13.357
278 HH12 ARG 35 HH12 ARG 35 9.137 -5.076 -12.389
279 HH21 ARG 35 HH21 ARG 35 12.372 -4.673 -13.702
280 HH22 ARG 35 HH22 ARG 35 12.617 -3.110 -12.989
281 H ALA 36 HN ALA 36 9.955 -0.546 -6.169
282 HA ALA 36 HA ALA 36 12.628 0.349 -5.809
283 HB1 ALA 36 HB1 ALA 36 10.726 1.285 -4.528
284 HB2 ALA 36 HB2 ALA 36 11.979 0.686 -3.439
285 HB3 ALA 36 HB3 ALA 36 10.511 -0.261 -3.704
286 H GLY 37 HN GLY 37 11.131 -2.741 -5.524
287 HA2 GLY 37 HA2 GLY 37 11.917 -4.840 -4.995
288 HA3 GLY 37 HA1 GLY 37 13.520 -4.140 -4.778
289 H ARG 38 HN ARG 38 10.771 -2.838 -3.099
290 HA ARG 38 HA ARG 38 11.927 -3.677 -0.513
291 HB2 ARG 38 HB2 ARG 38 11.659 -1.189 -1.049
292 HB3 ARG 38 HB1 ARG 38 9.919 -1.433 -1.028
293 HG2 ARG 38 HG2 ARG 38 10.329 -0.617 1.126
294 HG3 ARG 38 HG1 ARG 38 10.298 -2.359 1.392
295 HD2 ARG 38 HD2 ARG 38 12.682 -0.496 1.333
296 HD3 ARG 38 HD1 ARG 38 12.163 -1.567 2.633
297 HE ARG 38 HE ARG 38 13.676 -2.280 0.223
298 HH11 ARG 38 HH11 ARG 38 13.125 -4.918 3.187
299 HH12 ARG 38 HH12 ARG 38 12.252 -3.424 3.230
300 HH21 ARG 38 HH21 ARG 38 14.754 -4.256 0.179
301 HH22 ARG 38 HH22 ARG 38 14.540 -5.396 1.472
302 H CYS 39 HN CYS 39 10.864 -5.160 0.688
303 HA CYS 39 HA CYS 39 8.299 -6.226 0.002
304 HB2 CYS 39 HB2 CYS 39 10.035 -7.563 1.185
305 HB3 CYS 39 HB1 CYS 39 9.871 -6.532 2.603
306 HG CYS 39 HG CYS 39 7.832 -8.969 1.461
307 H ILE 40 HN ILE 40 6.442 -5.105 0.268
308 HA ILE 40 HA ILE 40 6.265 -3.087 2.428
309 HB ILE 40 HB ILE 40 4.455 -3.356 -0.014
310 HG12 ILE 40 HG12 ILE 40 6.715 -2.772 -0.746
311 HG13 ILE 40 HG11 ILE 40 5.644 -1.394 -0.938
312 HG21 ILE 40 HG21 ILE 40 4.637 -1.114 2.008
313 HG22 ILE 40 HG22 ILE 40 3.329 -2.292 1.881
314 HG23 ILE 40 HG23 ILE 40 3.609 -1.147 0.572
315 HD11 ILE 40 HD11 ILE 40 6.587 -0.426 1.129
316 HD12 ILE 40 HD12 ILE 40 7.784 -0.662 -0.141
317 HD13 ILE 40 HD13 ILE 40 7.713 -1.782 1.222
318 H ASP 41 HN ASP 41 4.625 -3.055 3.841
319 HA ASP 41 HA ASP 41 3.118 -5.551 4.293
320 HB2 ASP 41 HB2 ASP 41 4.749 -4.949 6.036
321 HB3 ASP 41 HB1 ASP 41 4.031 -3.351 6.198
322 H ILE 42 HN ILE 42 0.965 -5.482 4.083
323 HA ILE 42 HA ILE 42 -0.475 -2.881 3.922
324 HB ILE 42 HB ILE 42 -1.304 -5.568 2.702
325 HG12 ILE 42 HG12 ILE 42 0.694 -4.676 1.531
326 HG13 ILE 42 HG11 ILE 42 -0.720 -4.628 0.491
327 HG21 ILE 42 HG21 ILE 42 -2.523 -2.801 2.342
328 HG22 ILE 42 HG22 ILE 42 -3.241 -4.150 3.223
329 HG23 ILE 42 HG23 ILE 42 -3.020 -4.258 1.477
330 HD11 ILE 42 HD11 ILE 42 0.518 -2.272 1.927
331 HD12 ILE 42 HD12 ILE 42 -0.929 -2.208 0.921
332 HD13 ILE 42 HD13 ILE 42 0.623 -2.631 0.202
333 H GLU 43 HN GLU 43 -1.468 -2.520 5.842
334 HA GLU 43 HA GLU 43 -2.305 -4.676 7.595
335 HB2 GLU 43 HB2 GLU 43 -1.382 -2.262 8.239
336 HB3 GLU 43 HB1 GLU 43 -3.053 -1.765 8.022
337 HG2 GLU 43 HG2 GLU 43 -2.051 -3.836 9.998
338 HG3 GLU 43 HG1 GLU 43 -2.516 -2.185 10.368
339 H LEU 44 HN LEU 44 -4.176 -5.688 7.368
340 HA LEU 44 HA LEU 44 -6.426 -4.625 5.811
341 HB2 LEU 44 HB2 LEU 44 -5.529 -7.345 6.726
342 HB3 LEU 44 HB1 LEU 44 -7.258 -7.112 6.598
343 HG LEU 44 HG LEU 44 -6.162 -8.167 4.588
344 HD11 LEU 44 HD11 LEU 44 -7.670 -5.581 4.084
345 HD12 LEU 44 HD12 LEU 44 -8.379 -7.160 4.417
346 HD13 LEU 44 HD13 LEU 44 -7.474 -6.904 2.929
347 HD21 LEU 44 HD21 LEU 44 -4.920 -6.771 2.998
348 HD22 LEU 44 HD22 LEU 44 -4.077 -6.830 4.544
349 HD23 LEU 44 HD23 LEU 44 -5.002 -5.393 4.101
350 H TYR 45 HN TYR 45 -7.583 -3.205 7.028
351 HA TYR 45 HA TYR 45 -8.226 -3.334 9.760
352 HB2 TYR 45 HB2 TYR 45 -9.740 -2.108 7.433
353 HB3 TYR 45 HB1 TYR 45 -10.192 -1.860 9.113
354 HD1 TYR 45 HD1 TYR 45 -8.752 -0.141 6.543
355 HD2 TYR 45 HD2 TYR 45 -7.822 -1.280 10.562
356 HE1 TYR 45 HE1 TYR 45 -7.273 1.806 6.752
357 HE2 TYR 45 HE2 TYR 45 -6.349 0.683 10.753
358 HH TYR 45 HH TYR 45 -5.103 2.212 9.289
359 H THR 46 HN THR 46 -10.317 -3.812 10.750
360 HA THR 46 HA THR 46 -10.986 -6.526 10.343
361 HB THR 46 HB THR 46 -10.983 -5.588 12.586
362 HG1 THR 46 HG1 THR 46 -13.678 -6.282 11.960
363 HG21 THR 46 HG21 THR 46 -12.711 -4.021 13.377
364 HG22 THR 46 HG22 THR 46 -13.381 -3.927 11.748
365 HG23 THR 46 HG23 THR 46 -11.766 -3.298 12.074
366 H ASP 47 HN ASP 47 -12.544 -3.574 9.235
367 HA ASP 47 HA ASP 47 -15.051 -4.857 8.504
368 HB2 ASP 47 HB2 ASP 47 -15.734 -2.688 7.657
369 HB3 ASP 47 HB1 ASP 47 -14.926 -2.445 9.201
370 H GLY 48 HN GLY 48 -11.976 -4.538 7.121
371 HA2 GLY 48 HA2 GLY 48 -11.491 -6.079 5.288
372 HA3 GLY 48 HA1 GLY 48 -12.944 -5.495 4.494
373 H ARG 49 HN ARG 49 -12.035 -2.654 5.531
374 HA ARG 49 HA ARG 49 -10.672 -1.788 3.187
375 HB2 ARG 49 HB2 ARG 49 -11.275 -0.478 5.848
376 HB3 ARG 49 HB1 ARG 49 -10.209 0.331 4.701
377 HG2 ARG 49 HG2 ARG 49 -12.031 0.251 2.998
378 HG3 ARG 49 HG1 ARG 49 -13.094 -0.469 4.212
379 HD2 ARG 49 HD2 ARG 49 -13.463 1.968 3.980
380 HD3 ARG 49 HD1 ARG 49 -12.919 1.536 5.606
381 HE ARG 49 HE ARG 49 -10.857 2.367 3.705
382 HH11 ARG 49 HH11 ARG 49 -11.952 4.755 6.756
383 HH12 ARG 49 HH12 ARG 49 -12.922 3.369 6.375
384 HH21 ARG 49 HH21 ARG 49 -9.590 4.190 4.231
385 HH22 ARG 49 HH22 ARG 49 -10.070 5.217 5.541
386 H VAL 50 HN VAL 50 -8.512 -0.585 3.241
387 HA VAL 50 HA VAL 50 -6.527 -1.983 4.920
388 HB VAL 50 HB VAL 50 -4.994 -2.266 3.044
389 HG11 VAL 50 HG11 VAL 50 -6.521 -4.111 3.501
390 HG12 VAL 50 HG12 VAL 50 -6.149 -4.024 1.780
391 HG13 VAL 50 HG13 VAL 50 -7.703 -3.440 2.375
392 HG21 VAL 50 HG21 VAL 50 -5.652 -1.826 0.683
393 HG22 VAL 50 HG22 VAL 50 -5.598 -0.342 1.635
394 HG23 VAL 50 HG23 VAL 50 -7.153 -1.079 1.243
395 H GLU 51 HN GLU 51 -4.540 -0.966 5.135
396 HA GLU 51 HA GLU 51 -4.142 1.678 3.900
397 HB2 GLU 51 HB2 GLU 51 -2.923 2.468 5.884
398 HB3 GLU 51 HB1 GLU 51 -4.580 2.070 6.320
399 HG2 GLU 51 HG2 GLU 51 -3.935 0.120 7.492
400 HG3 GLU 51 HG1 GLU 51 -2.346 0.075 6.741
401 H CYS 52 HN CYS 52 -2.139 1.876 2.970
402 HA CYS 52 HA CYS 52 -0.187 -0.322 3.249
403 HB2 CYS 52 HB2 CYS 52 -0.765 0.422 0.946
404 HB3 CYS 52 HB1 CYS 52 -0.222 2.054 1.332
405 HG CYS 52 HG CYS 52 1.512 0.083 -0.195
406 H ARG 53 HN ARG 53 1.216 -0.024 4.917
407 HA ARG 53 HA ARG 53 1.285 2.469 6.317
408 HB2 ARG 53 HB2 ARG 53 1.404 0.258 7.447
409 HB3 ARG 53 HB1 ARG 53 3.007 0.001 6.777
410 HG2 ARG 53 HG2 ARG 53 3.177 0.683 9.107
411 HG3 ARG 53 HG1 ARG 53 3.856 1.937 8.074
412 HD2 ARG 53 HD2 ARG 53 1.025 2.070 9.172
413 HD3 ARG 53 HD1 ARG 53 2.418 2.726 10.035
414 HE ARG 53 HE ARG 53 2.653 3.955 7.670
415 HH11 ARG 53 HH11 ARG 53 -0.149 3.662 9.771
416 HH12 ARG 53 HH12 ARG 53 -0.833 5.163 9.240
417 HH21 ARG 53 HH21 ARG 53 1.705 5.876 6.957
418 HH22 ARG 53 HH22 ARG 53 0.211 6.417 7.647
419 H GLU 54 HN GLU 54 3.414 1.038 3.920
420 HA GLU 54 HA GLU 54 5.563 2.936 4.414
421 HB2 GLU 54 HB2 GLU 54 6.014 0.607 3.631
422 HB3 GLU 54 HB1 GLU 54 5.279 1.010 2.087
423 HG2 GLU 54 HG2 GLU 54 7.728 1.089 1.965
424 HG3 GLU 54 HG1 GLU 54 7.017 2.665 1.644
425 H LEU 55 HN LEU 55 2.626 3.058 2.715
426 HA LEU 55 HA LEU 55 3.322 4.701 0.517
427 HB2 LEU 55 HB2 LEU 55 1.189 3.369 0.673
428 HB3 LEU 55 HB1 LEU 55 0.599 4.492 1.878
429 HG LEU 55 HG LEU 55 -0.306 4.808 -0.504
430 HD11 LEU 55 HD11 LEU 55 -0.267 7.267 -0.480
431 HD12 LEU 55 HD12 LEU 55 1.038 7.259 0.703
432 HD13 LEU 55 HD13 LEU 55 -0.551 6.627 1.137
433 HD21 LEU 55 HD21 LEU 55 1.104 5.947 -2.168
434 HD22 LEU 55 HD22 LEU 55 1.802 4.389 -1.722
435 HD23 LEU 55 HD23 LEU 55 2.484 5.879 -1.068
436 H ARG 56 HN ARG 56 4.583 6.281 1.191
437 HA ARG 56 HA ARG 56 3.566 8.433 2.899
438 HB2 ARG 56 HB2 ARG 56 6.087 8.190 1.223
439 HB3 ARG 56 HB1 ARG 56 5.702 9.582 2.226
440 HG2 ARG 56 HG2 ARG 56 6.089 6.753 3.241
441 HG3 ARG 56 HG1 ARG 56 7.304 8.033 3.293
442 HD2 ARG 56 HD2 ARG 56 4.608 8.093 4.704
443 HD3 ARG 56 HD1 ARG 56 6.170 7.780 5.469
444 HE ARG 56 HE ARG 56 6.265 10.251 4.092
445 HH11 ARG 56 HH11 ARG 56 4.837 8.903 7.019
446 HH12 ARG 56 HH12 ARG 56 4.812 10.427 7.842
447 HH21 ARG 56 HH21 ARG 56 6.207 12.227 5.179
448 HH22 ARG 56 HH22 ARG 56 5.590 12.318 6.799
449 HA PRO 57 HA PRO 57 1.431 10.177 -0.786
450 HB2 PRO 57 HB2 PRO 57 0.923 12.436 1.143
451 HB3 PRO 57 HB1 PRO 57 -0.230 11.491 0.177
452 HG2 PRO 57 HG2 PRO 57 -0.069 11.096 2.794
453 HG3 PRO 57 HG1 PRO 57 -0.276 9.722 1.680
454 HD2 PRO 57 HD2 PRO 57 2.258 10.676 3.025
455 HD3 PRO 57 HD1 PRO 57 1.633 9.019 2.861
456 H ASP 58 HN ASP 58 4.208 11.229 0.794
457 HA ASP 58 HA ASP 58 4.836 13.678 -0.447
458 HB2 ASP 58 HB2 ASP 58 6.741 11.477 0.499
459 HB3 ASP 58 HB1 ASP 58 7.186 13.150 0.172
460 H VAL 59 HN VAL 59 4.934 10.374 -1.524
461 HA VAL 59 HA VAL 59 6.756 10.376 -3.609
462 HB VAL 59 HB VAL 59 5.611 8.373 -2.620
463 HG11 VAL 59 HG11 VAL 59 3.305 9.168 -2.642
464 HG12 VAL 59 HG12 VAL 59 3.445 7.619 -3.473
465 HG13 VAL 59 HG13 VAL 59 3.278 9.109 -4.406
466 HG21 VAL 59 HG21 VAL 59 5.576 7.019 -4.693
467 HG22 VAL 59 HG22 VAL 59 6.944 8.131 -4.681
468 HG23 VAL 59 HG23 VAL 59 5.524 8.494 -5.664
469 H PHE 60 HN PHE 60 3.548 11.697 -3.524
470 HA PHE 60 HA PHE 60 3.013 12.100 -6.279
471 HB2 PHE 60 HB2 PHE 60 2.090 13.500 -3.755
472 HB3 PHE 60 HB1 PHE 60 1.488 13.947 -5.348
473 HD1 PHE 60 HD1 PHE 60 -0.475 12.937 -6.110
474 HD2 PHE 60 HD2 PHE 60 1.863 10.899 -3.158
475 HE1 PHE 60 HE1 PHE 60 -2.198 11.201 -5.928
476 HE2 PHE 60 HE2 PHE 60 0.122 9.179 -2.984
477 HZ PHE 60 HZ PHE 60 -1.897 9.341 -4.365
478 H GLY 61 HN GLY 61 4.212 14.379 -3.779
479 HA2 GLY 61 HA2 GLY 61 5.022 16.372 -5.780
480 HA3 GLY 61 HA1 GLY 61 4.988 16.576 -4.033
481 H ALA 62 HN ALA 62 6.480 13.903 -5.747
482 HA ALA 62 HA ALA 62 9.132 14.624 -4.660
483 HB1 ALA 62 HB1 ALA 62 7.936 11.887 -5.234
484 HB2 ALA 62 HB2 ALA 62 8.147 12.611 -3.642
485 HB3 ALA 62 HB3 ALA 62 9.566 12.183 -4.606
Start of MODEL 19
1 H1 MET 1 HT1 MET 1 -5.774 -3.604 12.719
2 H2 MET 1 HT2 MET 1 -7.060 -4.672 12.504
3 H3 MET 1 HT3 MET 1 -7.276 -3.017 12.219
4 HA MET 1 HA MET 1 -7.104 -4.206 10.167
5 HB2 MET 1 HB2 MET 1 -5.391 -2.829 9.114
6 HB3 MET 1 HB1 MET 1 -6.275 -1.884 10.299
7 HG2 MET 1 HG2 MET 1 -4.070 -1.192 10.591
8 HG3 MET 1 HG1 MET 1 -4.254 -2.391 11.875
9 HE1 MET 1 HE1 MET 1 -1.510 -1.157 10.358
10 HE2 MET 1 HE2 MET 1 -0.490 -2.596 10.359
11 HE3 MET 1 HE3 MET 1 -1.403 -2.164 11.805
12 H LYS 2 HN LYS 2 -6.088 -5.720 8.878
13 HA LYS 2 HA LYS 2 -3.940 -7.324 10.044
14 HB2 LYS 2 HB2 LYS 2 -4.458 -8.992 8.371
15 HB3 LYS 2 HB1 LYS 2 -5.963 -8.464 9.112
16 HG2 LYS 2 HG2 LYS 2 -6.369 -6.998 7.104
17 HG3 LYS 2 HG1 LYS 2 -4.919 -7.682 6.368
18 HD2 LYS 2 HD2 LYS 2 -6.826 -8.858 5.467
19 HD3 LYS 2 HD1 LYS 2 -5.963 -9.964 6.537
20 HE2 LYS 2 HE2 LYS 2 -7.622 -9.468 8.337
21 HE3 LYS 2 HE1 LYS 2 -8.509 -8.438 7.208
22 HZ1 LYS 2 HZ1 LYS 2 -8.810 -10.402 5.787
23 HZ2 LYS 2 HZ2 LYS 2 -9.512 -10.596 7.307
24 HZ3 LYS 2 HZ3 LYS 2 -8.052 -11.363 6.949
25 H LYS 3 HN LYS 3 -1.952 -7.328 9.280
26 HA LYS 3 HA LYS 3 -1.042 -5.395 7.320
27 HB2 LYS 3 HB2 LYS 3 1.213 -6.264 7.963
28 HB3 LYS 3 HB1 LYS 3 0.269 -5.737 9.349
29 HG2 LYS 3 HG2 LYS 3 -0.277 -8.089 9.874
30 HG3 LYS 3 HG1 LYS 3 0.664 -8.623 8.482
31 HD2 LYS 3 HD2 LYS 3 1.831 -7.094 10.846
32 HD3 LYS 3 HD1 LYS 3 1.830 -8.852 10.712
33 HE2 LYS 3 HE2 LYS 3 3.998 -8.133 10.021
34 HE3 LYS 3 HE1 LYS 3 3.145 -8.572 8.545
35 HZ1 LYS 3 HZ1 LYS 3 4.413 -6.505 8.352
36 HZ2 LYS 3 HZ2 LYS 3 3.463 -5.798 9.556
37 HZ3 LYS 3 HZ3 LYS 3 2.765 -6.255 8.085
38 H ILE 4 HN ILE 4 -0.410 -5.842 5.244
39 HA ILE 4 HA ILE 4 -0.358 -8.642 4.262
40 HB ILE 4 HB ILE 4 -1.833 -6.353 2.897
41 HG12 ILE 4 HG12 ILE 4 -2.879 -8.782 4.397
42 HG13 ILE 4 HG11 ILE 4 -3.252 -7.084 4.681
43 HG21 ILE 4 HG21 ILE 4 -1.670 -9.236 1.945
44 HG22 ILE 4 HG22 ILE 4 -0.809 -7.874 1.234
45 HG23 ILE 4 HG23 ILE 4 -2.570 -7.918 1.166
46 HD11 ILE 4 HD11 ILE 4 -4.159 -8.812 2.408
47 HD12 ILE 4 HD12 ILE 4 -4.426 -7.067 2.478
48 HD13 ILE 4 HD13 ILE 4 -5.133 -8.127 3.705
49 HA PRO 5 HA PRO 5 3.308 -7.030 2.045
50 HB2 PRO 5 HB2 PRO 5 2.861 -9.370 0.203
51 HB3 PRO 5 HB1 PRO 5 4.283 -8.972 1.197
52 HG2 PRO 5 HG2 PRO 5 2.684 -11.015 1.863
53 HG3 PRO 5 HG1 PRO 5 3.414 -9.977 3.112
54 HD2 PRO 5 HD2 PRO 5 0.608 -9.868 1.981
55 HD3 PRO 5 HD1 PRO 5 1.123 -9.796 3.676
56 H LEU 6 HN LEU 6 3.387 -5.568 0.376
57 HA LEU 6 HA LEU 6 1.181 -4.495 -0.837
58 HB2 LEU 6 HB2 LEU 6 3.246 -3.255 -0.683
59 HB3 LEU 6 HB1 LEU 6 4.084 -4.419 -1.688
60 HG LEU 6 HG LEU 6 2.700 -3.687 -3.647
61 HD11 LEU 6 HD11 LEU 6 0.728 -2.825 -2.496
62 HD12 LEU 6 HD12 LEU 6 1.423 -1.602 -3.553
63 HD13 LEU 6 HD13 LEU 6 1.681 -1.501 -1.810
64 HD21 LEU 6 HD21 LEU 6 4.951 -2.758 -3.289
65 HD22 LEU 6 HD22 LEU 6 4.266 -1.445 -2.328
66 HD23 LEU 6 HD23 LEU 6 3.882 -1.582 -4.047
67 H SER 7 HN SER 7 3.461 -6.841 -2.169
68 HA SER 7 HA SER 7 2.479 -7.100 -4.760
69 HB2 SER 7 HB2 SER 7 3.614 -9.384 -4.650
70 HB3 SER 7 HB1 SER 7 4.619 -8.009 -4.193
71 HG SER 7 HG SER 7 3.557 -10.050 -2.616
72 H LYS 8 HN LYS 8 1.678 -9.176 -1.897
73 HA LYS 8 HA LYS 8 -0.293 -10.657 -3.399
74 HB2 LYS 8 HB2 LYS 8 0.882 -10.889 -0.677
75 HB3 LYS 8 HB1 LYS 8 -0.790 -11.430 -0.789
76 HG2 LYS 8 HG2 LYS 8 1.542 -12.468 -2.455
77 HG3 LYS 8 HG1 LYS 8 0.727 -13.310 -1.127
78 HD2 LYS 8 HD2 LYS 8 -1.369 -13.360 -2.421
79 HD3 LYS 8 HD1 LYS 8 -0.607 -12.451 -3.724
80 HE2 LYS 8 HE2 LYS 8 0.950 -14.346 -4.109
81 HE3 LYS 8 HE1 LYS 8 0.128 -15.256 -2.838
82 HZ1 LYS 8 HZ1 LYS 8 -1.921 -15.123 -4.140
83 HZ2 LYS 8 HZ2 LYS 8 -0.686 -15.884 -5.005
84 HZ3 LYS 8 HZ3 LYS 8 -1.108 -14.289 -5.365
85 H TYR 9 HN TYR 9 -0.468 -7.746 -1.535
86 HA TYR 9 HA TYR 9 -3.314 -7.747 -1.238
87 HB2 TYR 9 HB2 TYR 9 -1.981 -6.117 0.039
88 HB3 TYR 9 HB1 TYR 9 -1.399 -5.375 -1.441
89 HD1 TYR 9 HD1 TYR 9 -4.376 -5.856 0.717
90 HD2 TYR 9 HD2 TYR 9 -2.823 -3.827 -2.715
91 HE1 TYR 9 HE1 TYR 9 -6.372 -4.463 0.630
92 HE2 TYR 9 HE2 TYR 9 -4.828 -2.421 -2.783
93 HH TYR 9 HH TYR 9 -7.157 -2.513 -2.052
94 H LEU 10 HN LEU 10 -1.075 -6.515 -3.680
95 HA LEU 10 HA LEU 10 -2.947 -5.458 -5.506
96 HB2 LEU 10 HB2 LEU 10 -0.104 -6.423 -5.956
97 HB3 LEU 10 HB1 LEU 10 -1.045 -5.526 -7.138
98 HG LEU 10 HG LEU 10 -0.179 -4.460 -4.423
99 HD11 LEU 10 HD11 LEU 10 1.376 -3.031 -5.670
100 HD12 LEU 10 HD12 LEU 10 0.904 -3.809 -7.183
101 HD13 LEU 10 HD13 LEU 10 1.728 -4.738 -5.927
102 HD21 LEU 10 HD21 LEU 10 -2.289 -3.449 -5.084
103 HD22 LEU 10 HD22 LEU 10 -1.649 -3.069 -6.685
104 HD23 LEU 10 HD23 LEU 10 -0.992 -2.269 -5.254
105 H GLU 11 HN GLU 11 -1.766 -8.706 -4.988
106 HA GLU 11 HA GLU 11 -2.757 -9.801 -7.475
107 HB2 GLU 11 HB2 GLU 11 -1.890 -11.182 -4.889
108 HB3 GLU 11 HB1 GLU 11 -2.271 -12.018 -6.394
109 HG2 GLU 11 HG2 GLU 11 0.027 -10.100 -5.911
110 HG3 GLU 11 HG1 GLU 11 0.131 -11.846 -6.101
111 H GLU 12 HN GLU 12 -3.829 -9.923 -4.046
112 HA GLU 12 HA GLU 12 -6.133 -11.565 -4.864
113 HB2 GLU 12 HB2 GLU 12 -5.106 -11.017 -2.048
114 HB3 GLU 12 HB1 GLU 12 -6.266 -12.250 -2.532
115 HG2 GLU 12 HG2 GLU 12 -3.326 -12.165 -3.266
116 HG3 GLU 12 HG1 GLU 12 -4.058 -13.208 -2.052
117 H HIS 13 HN HIS 13 -5.458 -8.694 -2.816
118 HA HIS 13 HA HIS 13 -8.300 -8.570 -2.063
119 HB2 HIS 13 HB2 HIS 13 -5.826 -7.244 -0.902
120 HB3 HIS 13 HB1 HIS 13 -7.456 -6.955 -0.299
121 HD1 HIS 13 HD1 HIS 13 -8.507 -8.759 1.155
122 HD2 HIS 13 HD2 HIS 13 -4.766 -9.817 -0.319
123 HE1 HIS 13 HE1 HIS 13 -7.833 -10.797 2.434
124 HE2 HIS 13 HE2 HIS 13 -5.670 -11.542 1.384
125 H GLY 14 HN GLY 14 -6.240 -6.966 -4.217
126 HA2 GLY 14 HA2 GLY 14 -8.217 -5.268 -5.249
127 HA3 GLY 14 HA1 GLY 14 -7.201 -4.314 -4.165
128 H THR 15 HN THR 15 -7.363 -3.938 -7.028
129 HA THR 15 HA THR 15 -4.776 -4.852 -8.024
130 HB THR 15 HB THR 15 -5.888 -3.064 -9.950
131 HG1 THR 15 HG1 THR 15 -7.904 -4.763 -8.859
132 HG21 THR 15 HG21 THR 15 -5.935 -6.095 -9.884
133 HG22 THR 15 HG22 THR 15 -4.609 -5.066 -10.442
134 HG23 THR 15 HG23 THR 15 -6.146 -5.075 -11.314
135 H GLN 16 HN GLN 16 -3.736 -3.040 -9.507
136 HA GLN 16 HA GLN 16 -2.375 -1.433 -7.622
137 HB2 GLN 16 HB2 GLN 16 -2.082 -1.550 -10.649
138 HB3 GLN 16 HB1 GLN 16 -0.981 -0.698 -9.578
139 HG2 GLN 16 HG2 GLN 16 0.106 -2.726 -10.104
140 HG3 GLN 16 HG1 GLN 16 -0.502 -2.942 -8.465
141 HE21 GLN 16 HE21 GLN 16 -2.190 -4.457 -8.119
142 HE22 GLN 16 HE22 GLN 16 -2.618 -5.641 -9.300
143 H SER 17 HN SER 17 -4.503 -0.771 -10.340
144 HA SER 17 HA SER 17 -4.748 2.044 -10.080
145 HB2 SER 17 HB2 SER 17 -5.380 0.709 -12.110
146 HB3 SER 17 HB1 SER 17 -6.748 0.055 -11.212
147 HG SER 17 HG SER 17 -6.353 2.831 -11.543
148 H ALA 18 HN ALA 18 -6.610 -0.700 -8.827
149 HA ALA 18 HA ALA 18 -8.699 0.623 -7.529
150 HB1 ALA 18 HB1 ALA 18 -8.594 -1.823 -7.910
151 HB2 ALA 18 HB2 ALA 18 -8.978 -1.425 -6.231
152 HB3 ALA 18 HB3 ALA 18 -7.344 -1.948 -6.664
153 H LEU 19 HN LEU 19 -5.432 -0.116 -6.458
154 HA LEU 19 HA LEU 19 -5.902 0.569 -3.695
155 HB2 LEU 19 HB2 LEU 19 -4.239 -1.126 -4.190
156 HB3 LEU 19 HB1 LEU 19 -3.335 -0.023 -5.217
157 HG LEU 19 HG LEU 19 -2.643 1.304 -3.267
158 HD11 LEU 19 HD11 LEU 19 -4.609 1.086 -1.827
159 HD12 LEU 19 HD12 LEU 19 -3.149 0.641 -0.953
160 HD13 LEU 19 HD13 LEU 19 -4.240 -0.618 -1.534
161 HD21 LEU 19 HD21 LEU 19 -1.184 -0.346 -2.158
162 HD22 LEU 19 HD22 LEU 19 -1.234 -0.602 -3.899
163 HD23 LEU 19 HD23 LEU 19 -2.151 -1.665 -2.829
164 H ALA 20 HN ALA 20 -4.060 2.027 -6.374
165 HA ALA 20 HA ALA 20 -3.275 4.467 -5.243
166 HB1 ALA 20 HB1 ALA 20 -3.108 5.262 -7.583
167 HB2 ALA 20 HB2 ALA 20 -4.055 3.873 -8.130
168 HB3 ALA 20 HB3 ALA 20 -2.468 3.624 -7.410
169 H ALA 21 HN ALA 21 -6.356 3.545 -6.756
170 HA ALA 21 HA ALA 21 -7.585 6.106 -6.779
171 HB1 ALA 21 HB1 ALA 21 -9.675 4.894 -7.206
172 HB2 ALA 21 HB2 ALA 21 -8.900 3.372 -6.752
173 HB3 ALA 21 HB3 ALA 21 -8.356 4.236 -8.188
174 H ALA 22 HN ALA 22 -7.479 3.465 -4.420
175 HA ALA 22 HA ALA 22 -9.316 4.605 -2.532
176 HB1 ALA 22 HB1 ALA 22 -8.559 2.814 -1.036
177 HB2 ALA 22 HB2 ALA 22 -7.211 2.460 -2.121
178 HB3 ALA 22 HB3 ALA 22 -8.867 2.187 -2.659
179 H LEU 23 HN LEU 23 -5.866 4.923 -3.095
180 HA LEU 23 HA LEU 23 -5.309 6.183 -0.520
181 HB2 LEU 23 HB2 LEU 23 -3.483 5.827 -2.933
182 HB3 LEU 23 HB1 LEU 23 -2.988 6.368 -1.335
183 HG LEU 23 HG LEU 23 -3.966 3.591 -2.096
184 HD11 LEU 23 HD11 LEU 23 -1.661 4.008 -2.765
185 HD12 LEU 23 HD12 LEU 23 -1.723 2.838 -1.449
186 HD13 LEU 23 HD13 LEU 23 -1.249 4.506 -1.120
187 HD21 LEU 23 HD21 LEU 23 -3.273 4.599 0.680
188 HD22 LEU 23 HD22 LEU 23 -3.568 2.913 0.250
189 HD23 LEU 23 HD23 LEU 23 -4.867 4.096 0.111
190 H GLY 24 HN GLY 24 -6.162 7.187 -3.742
191 HA2 GLY 24 HA2 GLY 24 -6.762 9.325 -4.489
192 HA3 GLY 24 HA1 GLY 24 -6.076 10.018 -3.026
193 H VAL 25 HN VAL 25 -4.189 7.767 -4.855
194 HA VAL 25 HA VAL 25 -2.434 9.925 -5.895
195 HB VAL 25 HB VAL 25 -0.493 8.500 -5.456
196 HG11 VAL 25 HG11 VAL 25 -2.246 8.512 -2.976
197 HG12 VAL 25 HG12 VAL 25 -1.292 9.885 -3.552
198 HG13 VAL 25 HG13 VAL 25 -0.484 8.415 -3.005
199 HG21 VAL 25 HG21 VAL 25 -1.465 6.278 -5.918
200 HG22 VAL 25 HG22 VAL 25 -2.435 6.370 -4.447
201 HG23 VAL 25 HG23 VAL 25 -0.676 6.278 -4.340
202 H ASN 26 HN ASN 26 -1.110 9.190 -7.814
203 HA ASN 26 HA ASN 26 -2.566 7.471 -9.671
204 HB2 ASN 26 HB2 ASN 26 -0.036 9.125 -9.835
205 HB3 ASN 26 HB1 ASN 26 -0.313 7.884 -11.049
206 HD21 ASN 26 HD21 ASN 26 -1.360 10.977 -9.841
207 HD22 ASN 26 HD22 ASN 26 -2.406 11.364 -11.172
208 H GLN 27 HN GLN 27 -1.494 5.638 -10.741
209 HA GLN 27 HA GLN 27 -0.483 3.666 -8.973
210 HB2 GLN 27 HB2 GLN 27 -0.422 3.713 -12.022
211 HB3 GLN 27 HB1 GLN 27 -0.088 2.291 -11.027
212 HG2 GLN 27 HG2 GLN 27 -2.379 2.294 -10.183
213 HG3 GLN 27 HG1 GLN 27 -2.723 3.793 -11.049
214 HE21 GLN 27 HE21 GLN 27 -2.913 3.732 -13.332
215 HE22 GLN 27 HE22 GLN 27 -3.218 2.253 -14.167
216 H SER 28 HN SER 28 1.169 6.168 -10.682
217 HA SER 28 HA SER 28 3.772 5.227 -10.926
218 HB2 SER 28 HB2 SER 28 2.882 8.015 -10.089
219 HB3 SER 28 HB1 SER 28 4.478 7.603 -10.723
220 HG SER 28 HG SER 28 2.743 6.654 -12.456
221 H ALA 29 HN ALA 29 2.032 6.153 -8.020
222 HA ALA 29 HA ALA 29 4.179 6.228 -6.158
223 HB1 ALA 29 HB1 ALA 29 1.889 7.078 -5.721
224 HB2 ALA 29 HB2 ALA 29 2.425 5.967 -4.472
225 HB3 ALA 29 HB3 ALA 29 1.276 5.424 -5.699
226 H ILE 30 HN ILE 30 1.791 3.654 -6.797
227 HA ILE 30 HA ILE 30 2.896 1.771 -5.022
228 HB ILE 30 HB ILE 30 0.874 1.486 -7.285
229 HG12 ILE 30 HG12 ILE 30 -0.675 0.952 -5.282
230 HG13 ILE 30 HG11 ILE 30 0.622 1.505 -4.233
231 HG21 ILE 30 HG21 ILE 30 1.742 -0.720 -5.391
232 HG22 ILE 30 HG22 ILE 30 1.992 -0.672 -7.138
233 HG23 ILE 30 HG23 ILE 30 0.359 -0.790 -6.488
234 HD11 ILE 30 HD11 ILE 30 0.465 3.721 -5.247
235 HD12 ILE 30 HD12 ILE 30 -1.070 3.187 -4.559
236 HD13 ILE 30 HD13 ILE 30 -0.823 3.136 -6.304
237 H SER 31 HN SER 31 3.148 2.103 -8.551
238 HA SER 31 HA SER 31 4.676 -0.181 -9.114
239 HB2 SER 31 HB2 SER 31 4.527 2.463 -10.632
240 HB3 SER 31 HB1 SER 31 5.167 0.948 -11.283
241 HG SER 31 HG SER 31 2.566 1.749 -10.902
242 H GLN 32 HN GLN 32 5.706 3.146 -8.235
243 HA GLN 32 HA GLN 32 8.503 2.680 -8.628
244 HB2 GLN 32 HB2 GLN 32 7.622 4.964 -8.616
245 HB3 GLN 32 HB1 GLN 32 7.122 4.803 -6.935
246 HG2 GLN 32 HG2 GLN 32 9.466 4.618 -6.229
247 HG3 GLN 32 HG1 GLN 32 10.002 4.685 -7.907
248 HE21 GLN 32 HE21 GLN 32 8.680 6.524 -5.238
249 HE22 GLN 32 HE22 GLN 32 8.993 8.088 -5.901
250 H MET 33 HN MET 33 6.339 2.329 -5.888
251 HA MET 33 HA MET 33 8.286 1.704 -3.888
252 HB2 MET 33 HB2 MET 33 5.345 1.011 -3.995
253 HB3 MET 33 HB1 MET 33 6.371 0.945 -2.568
254 HG2 MET 33 HG2 MET 33 6.628 3.597 -3.593
255 HG3 MET 33 HG1 MET 33 4.918 3.198 -3.642
256 HE1 MET 33 HE1 MET 33 4.853 1.099 -1.231
257 HE2 MET 33 HE2 MET 33 3.584 2.301 -1.523
258 HE3 MET 33 HE3 MET 33 4.302 2.148 0.085
259 H VAL 34 HN VAL 34 6.620 -0.148 -6.331
260 HA VAL 34 HA VAL 34 7.470 -2.772 -5.518
261 HB VAL 34 HB VAL 34 6.332 -1.627 -8.117
262 HG11 VAL 34 HG11 VAL 34 6.955 -4.559 -7.594
263 HG12 VAL 34 HG12 VAL 34 7.760 -3.510 -8.764
264 HG13 VAL 34 HG13 VAL 34 6.060 -3.916 -8.979
265 HG21 VAL 34 HG21 VAL 34 5.100 -3.495 -6.044
266 HG22 VAL 34 HG22 VAL 34 4.303 -2.899 -7.504
267 HG23 VAL 34 HG23 VAL 34 4.754 -1.774 -6.227
268 H ARG 35 HN ARG 35 8.637 -0.375 -7.907
269 HA ARG 35 HA ARG 35 10.781 -2.062 -8.888
270 HB2 ARG 35 HB2 ARG 35 10.128 0.842 -9.516
271 HB3 ARG 35 HB1 ARG 35 11.331 -0.129 -10.361
272 HG2 ARG 35 HG2 ARG 35 8.327 -0.568 -10.345
273 HG3 ARG 35 HG1 ARG 35 9.299 0.032 -11.689
274 HD2 ARG 35 HD2 ARG 35 10.411 -2.140 -11.893
275 HD3 ARG 35 HD1 ARG 35 9.571 -2.738 -10.460
276 HE ARG 35 HE ARG 35 7.930 -1.866 -12.720
277 HH11 ARG 35 HH11 ARG 35 9.289 -4.588 -10.950
278 HH12 ARG 35 HH12 ARG 35 8.192 -5.732 -11.657
279 HH21 ARG 35 HH21 ARG 35 6.533 -3.377 -13.645
280 HH22 ARG 35 HH22 ARG 35 6.628 -5.049 -13.186
281 H ALA 36 HN ALA 36 10.459 0.083 -6.281
282 HA ALA 36 HA ALA 36 13.180 0.942 -5.996
283 HB1 ALA 36 HB1 ALA 36 11.321 2.081 -4.838
284 HB2 ALA 36 HB2 ALA 36 12.525 1.514 -3.682
285 HB3 ALA 36 HB3 ALA 36 11.011 0.626 -3.886
286 H GLY 37 HN GLY 37 11.533 -2.035 -5.513
287 HA2 GLY 37 HA2 GLY 37 12.233 -4.121 -4.852
288 HA3 GLY 37 HA1 GLY 37 13.852 -3.467 -4.615
289 H ARG 38 HN ARG 38 11.303 -1.786 -3.056
290 HA ARG 38 HA ARG 38 12.190 -2.727 -0.422
291 HB2 ARG 38 HB2 ARG 38 12.113 -0.236 -1.005
292 HB3 ARG 38 HB1 ARG 38 10.364 -0.361 -1.067
293 HG2 ARG 38 HG2 ARG 38 10.872 0.547 1.069
294 HG3 ARG 38 HG1 ARG 38 10.454 -1.142 1.367
295 HD2 ARG 38 HD2 ARG 38 13.291 -0.049 1.172
296 HD3 ARG 38 HD1 ARG 38 12.426 -0.373 2.674
297 HE ARG 38 HE ARG 38 12.360 -2.764 1.896
298 HH11 ARG 38 HH11 ARG 38 16.094 -1.948 0.692
299 HH12 ARG 38 HH12 ARG 38 14.978 -0.642 0.932
300 HH21 ARG 38 HH21 ARG 38 13.821 -4.462 1.550
301 HH22 ARG 38 HH22 ARG 38 15.443 -4.110 1.039
302 H CYS 39 HN CYS 39 10.993 -4.301 0.513
303 HA CYS 39 HA CYS 39 8.394 -5.051 -0.408
304 HB2 CYS 39 HB2 CYS 39 9.842 -5.871 2.145
305 HB3 CYS 39 HB1 CYS 39 8.391 -6.639 1.495
306 HG CYS 39 HG CYS 39 9.981 -7.077 -1.014
307 H ILE 40 HN ILE 40 6.642 -3.933 -0.035
308 HA ILE 40 HA ILE 40 6.449 -2.015 2.192
309 HB ILE 40 HB ILE 40 4.934 -2.266 -0.447
310 HG12 ILE 40 HG12 ILE 40 7.221 -1.459 -0.759
311 HG13 ILE 40 HG11 ILE 40 6.083 -0.163 -1.079
312 HG21 ILE 40 HG21 ILE 40 4.549 -0.139 1.658
313 HG22 ILE 40 HG22 ILE 40 3.409 -1.424 1.264
314 HG23 ILE 40 HG23 ILE 40 3.787 -0.189 0.068
315 HD11 ILE 40 HD11 ILE 40 7.773 -0.487 1.406
316 HD12 ILE 40 HD12 ILE 40 6.595 0.800 1.137
317 HD13 ILE 40 HD13 ILE 40 8.019 0.676 0.102
318 H ASP 41 HN ASP 41 4.691 -2.045 3.598
319 HA ASP 41 HA ASP 41 3.001 -4.481 3.576
320 HB2 ASP 41 HB2 ASP 41 4.648 -4.322 5.440
321 HB3 ASP 41 HB1 ASP 41 3.905 -2.811 5.957
322 H ILE 42 HN ILE 42 1.043 -3.990 2.861
323 HA ILE 42 HA ILE 42 -0.185 -1.374 3.106
324 HB ILE 42 HB ILE 42 -1.219 -4.001 1.932
325 HG12 ILE 42 HG12 ILE 42 0.616 -3.004 0.632
326 HG13 ILE 42 HG11 ILE 42 -0.892 -2.876 -0.262
327 HG21 ILE 42 HG21 ILE 42 -3.159 -2.679 2.686
328 HG22 ILE 42 HG22 ILE 42 -3.088 -2.709 0.925
329 HG23 ILE 42 HG23 ILE 42 -2.566 -1.270 1.805
330 HD11 ILE 42 HD11 ILE 42 -1.068 -0.505 0.393
331 HD12 ILE 42 HD12 ILE 42 0.418 -0.840 -0.492
332 HD13 ILE 42 HD13 ILE 42 0.465 -0.634 1.259
333 H GLU 43 HN GLU 43 -1.661 -0.776 4.500
334 HA GLU 43 HA GLU 43 -2.448 -2.462 6.747
335 HB2 GLU 43 HB2 GLU 43 -1.617 -0.252 7.263
336 HB3 GLU 43 HB1 GLU 43 -2.696 0.515 6.108
337 HG2 GLU 43 HG2 GLU 43 -4.629 0.024 7.512
338 HG3 GLU 43 HG1 GLU 43 -3.620 -0.892 8.632
339 H LEU 44 HN LEU 44 -4.013 -3.885 5.974
340 HA LEU 44 HA LEU 44 -6.440 -2.788 4.684
341 HB2 LEU 44 HB2 LEU 44 -5.521 -4.820 3.636
342 HB3 LEU 44 HB1 LEU 44 -5.579 -5.678 5.170
343 HG LEU 44 HG LEU 44 -8.072 -5.528 5.164
344 HD11 LEU 44 HD11 LEU 44 -8.366 -3.483 3.864
345 HD12 LEU 44 HD12 LEU 44 -9.291 -4.811 3.170
346 HD13 LEU 44 HD13 LEU 44 -7.777 -4.306 2.411
347 HD21 LEU 44 HD21 LEU 44 -6.987 -7.529 4.206
348 HD22 LEU 44 HD22 LEU 44 -7.008 -6.775 2.610
349 HD23 LEU 44 HD23 LEU 44 -8.524 -7.172 3.425
350 H TYR 45 HN TYR 45 -7.913 -2.063 6.074
351 HA TYR 45 HA TYR 45 -8.354 -2.946 8.753
352 HB2 TYR 45 HB2 TYR 45 -9.993 -1.257 6.830
353 HB3 TYR 45 HB1 TYR 45 -10.498 -1.574 8.485
354 HD1 TYR 45 HD1 TYR 45 -9.793 -0.099 10.203
355 HD2 TYR 45 HD2 TYR 45 -7.620 -0.143 6.518
356 HE1 TYR 45 HE1 TYR 45 -8.469 1.825 10.960
357 HE2 TYR 45 HE2 TYR 45 -6.298 1.786 7.278
358 HH TYR 45 HH TYR 45 -6.208 3.489 8.853
359 H THR 46 HN THR 46 -10.401 -3.888 9.519
360 HA THR 46 HA THR 46 -10.885 -6.427 8.388
361 HB THR 46 HB THR 46 -12.596 -4.960 10.452
362 HG1 THR 46 HG1 THR 46 -11.159 -6.210 11.915
363 HG21 THR 46 HG21 THR 46 -13.646 -7.056 9.599
364 HG22 THR 46 HG22 THR 46 -13.171 -7.213 11.290
365 HG23 THR 46 HG23 THR 46 -12.185 -7.953 10.028
366 H ASP 47 HN ASP 47 -12.630 -3.376 8.087
367 HA ASP 47 HA ASP 47 -15.003 -4.458 6.873
368 HB2 ASP 47 HB2 ASP 47 -15.735 -2.168 6.613
369 HB3 ASP 47 HB1 ASP 47 -14.969 -2.323 8.190
370 H GLY 48 HN GLY 48 -11.890 -3.635 5.671
371 HA2 GLY 48 HA2 GLY 48 -11.245 -4.391 3.466
372 HA3 GLY 48 HA1 GLY 48 -12.824 -3.901 2.871
373 H ARG 49 HN ARG 49 -11.819 -1.509 4.977
374 HA ARG 49 HA ARG 49 -11.048 0.346 2.927
375 HB2 ARG 49 HB2 ARG 49 -12.218 1.042 5.001
376 HB3 ARG 49 HB1 ARG 49 -10.828 0.563 5.958
377 HG2 ARG 49 HG2 ARG 49 -10.839 2.963 5.753
378 HG3 ARG 49 HG1 ARG 49 -9.471 2.342 4.827
379 HD2 ARG 49 HD2 ARG 49 -10.610 4.143 3.599
380 HD3 ARG 49 HD1 ARG 49 -10.768 2.610 2.741
381 HE ARG 49 HE ARG 49 -13.038 2.644 3.085
382 HH11 ARG 49 HH11 ARG 49 -11.645 5.181 5.082
383 HH12 ARG 49 HH12 ARG 49 -13.191 5.865 5.474
384 HH21 ARG 49 HH21 ARG 49 -15.103 4.962 4.641
385 HH22 ARG 49 HH22 ARG 49 -15.034 3.570 3.603
386 H VAL 50 HN VAL 50 -8.974 1.126 2.424
387 HA VAL 50 HA VAL 50 -6.692 0.158 4.034
388 HB VAL 50 HB VAL 50 -5.277 0.146 1.920
389 HG11 VAL 50 HG11 VAL 50 -6.002 -1.943 2.982
390 HG12 VAL 50 HG12 VAL 50 -5.921 -2.109 1.231
391 HG13 VAL 50 HG13 VAL 50 -7.488 -1.933 2.025
392 HG21 VAL 50 HG21 VAL 50 -6.404 -0.144 -0.269
393 HG22 VAL 50 HG22 VAL 50 -6.755 1.438 0.428
394 HG23 VAL 50 HG23 VAL 50 -7.972 0.161 0.490
395 H GLU 51 HN GLU 51 -5.103 1.543 4.380
396 HA GLU 51 HA GLU 51 -4.812 3.997 2.814
397 HB2 GLU 51 HB2 GLU 51 -6.224 4.661 4.777
398 HB3 GLU 51 HB1 GLU 51 -5.004 4.022 5.873
399 HG2 GLU 51 HG2 GLU 51 -3.398 5.710 5.099
400 HG3 GLU 51 HG1 GLU 51 -4.575 6.326 3.938
401 H CYS 52 HN CYS 52 -2.679 4.085 2.313
402 HA CYS 52 HA CYS 52 -0.888 2.190 3.650
403 HB2 CYS 52 HB2 CYS 52 -1.047 2.191 1.150
404 HB3 CYS 52 HB1 CYS 52 -0.354 3.812 1.122
405 HG CYS 52 HG CYS 52 1.699 2.161 0.423
406 H ARG 53 HN ARG 53 -0.466 3.224 5.534
407 HA ARG 53 HA ARG 53 0.640 5.719 6.083
408 HB2 ARG 53 HB2 ARG 53 1.845 4.466 7.962
409 HB3 ARG 53 HB1 ARG 53 0.107 4.177 7.868
410 HG2 ARG 53 HG2 ARG 53 0.456 2.044 6.774
411 HG3 ARG 53 HG1 ARG 53 2.187 2.339 6.653
412 HD2 ARG 53 HD2 ARG 53 2.326 2.273 9.146
413 HD3 ARG 53 HD1 ARG 53 0.605 1.863 9.193
414 HE ARG 53 HE ARG 53 1.143 -0.283 8.638
415 HH11 ARG 53 HH11 ARG 53 4.865 0.358 7.225
416 HH12 ARG 53 HH12 ARG 53 3.893 1.711 7.689
417 HH21 ARG 53 HH21 ARG 53 4.038 -1.752 7.376
418 HH22 ARG 53 HH22 ARG 53 2.425 -2.040 7.949
419 H GLU 54 HN GLU 54 2.009 3.014 4.404
420 HA GLU 54 HA GLU 54 4.791 3.716 4.629
421 HB2 GLU 54 HB2 GLU 54 3.581 1.376 4.317
422 HB3 GLU 54 HB1 GLU 54 3.651 1.772 2.608
423 HG2 GLU 54 HG2 GLU 54 5.521 0.415 3.055
424 HG3 GLU 54 HG1 GLU 54 6.145 2.050 2.870
425 H LEU 55 HN LEU 55 2.179 4.712 2.620
426 HA LEU 55 HA LEU 55 3.964 5.879 0.581
427 HB2 LEU 55 HB2 LEU 55 2.620 3.893 -0.234
428 HB3 LEU 55 HB1 LEU 55 1.157 4.778 0.116
429 HG LEU 55 HG LEU 55 1.937 4.651 -2.357
430 HD11 LEU 55 HD11 LEU 55 1.155 6.915 -2.914
431 HD12 LEU 55 HD12 LEU 55 1.331 7.409 -1.230
432 HD13 LEU 55 HD13 LEU 55 0.142 6.181 -1.673
433 HD21 LEU 55 HD21 LEU 55 3.594 6.291 -3.117
434 HD22 LEU 55 HD22 LEU 55 4.322 5.157 -1.983
435 HD23 LEU 55 HD23 LEU 55 3.900 6.784 -1.450
436 H ARG 56 HN ARG 56 4.042 7.887 1.524
437 HA ARG 56 HA ARG 56 1.695 9.488 2.027
438 HB2 ARG 56 HB2 ARG 56 4.637 10.183 1.659
439 HB3 ARG 56 HB1 ARG 56 3.396 11.415 1.895
440 HG2 ARG 56 HG2 ARG 56 2.787 10.243 4.069
441 HG3 ARG 56 HG1 ARG 56 4.232 9.250 3.852
442 HD2 ARG 56 HD2 ARG 56 5.661 11.218 3.948
443 HD3 ARG 56 HD1 ARG 56 4.250 12.285 3.967
444 HE ARG 56 HE ARG 56 4.302 10.406 6.161
445 HH11 ARG 56 HH11 ARG 56 5.474 13.581 5.144
446 HH12 ARG 56 HH12 ARG 56 5.683 14.150 6.767
447 HH21 ARG 56 HH21 ARG 56 4.544 11.190 8.273
448 HH22 ARG 56 HH22 ARG 56 5.154 12.790 8.551
449 HA PRO 57 HA PRO 57 1.050 10.981 -2.291
450 HB2 PRO 57 HB2 PRO 57 -0.043 13.455 -1.699
451 HB3 PRO 57 HB1 PRO 57 -0.960 11.937 -1.625
452 HG2 PRO 57 HG2 PRO 57 0.351 13.454 0.615
453 HG3 PRO 57 HG1 PRO 57 -1.274 12.728 0.547
454 HD2 PRO 57 HD2 PRO 57 0.744 11.482 1.804
455 HD3 PRO 57 HD1 PRO 57 -0.467 10.560 0.886
456 H ASP 58 HN ASP 58 3.026 12.388 0.125
457 HA ASP 58 HA ASP 58 4.102 14.670 -1.153
458 HB2 ASP 58 HB2 ASP 58 5.295 12.889 1.028
459 HB3 ASP 58 HB1 ASP 58 5.910 14.482 0.586
460 H VAL 59 HN VAL 59 4.686 11.327 -1.550
461 HA VAL 59 HA VAL 59 7.294 11.081 -2.400
462 HB VAL 59 HB VAL 59 4.742 9.614 -3.207
463 HG11 VAL 59 HG11 VAL 59 7.605 8.760 -3.873
464 HG12 VAL 59 HG12 VAL 59 6.361 9.237 -5.029
465 HG13 VAL 59 HG13 VAL 59 6.161 7.760 -4.091
466 HG21 VAL 59 HG21 VAL 59 5.599 7.862 -1.658
467 HG22 VAL 59 HG22 VAL 59 5.387 9.410 -0.845
468 HG23 VAL 59 HG23 VAL 59 7.006 8.867 -1.293
469 H PHE 60 HN PHE 60 4.506 12.257 -4.273
470 HA PHE 60 HA PHE 60 6.193 13.310 -6.367
471 HB2 PHE 60 HB2 PHE 60 5.290 12.011 -8.226
472 HB3 PHE 60 HB1 PHE 60 6.023 10.927 -7.062
473 HD1 PHE 60 HD1 PHE 60 3.952 10.455 -5.080
474 HD2 PHE 60 HD2 PHE 60 3.587 10.865 -9.313
475 HE1 PHE 60 HE1 PHE 60 1.902 9.097 -5.045
476 HE2 PHE 60 HE2 PHE 60 1.537 9.513 -9.268
477 HZ PHE 60 HZ PHE 60 0.691 8.629 -7.134
478 H GLY 61 HN GLY 61 4.180 13.676 -8.368
479 HA2 GLY 61 HA2 GLY 61 2.701 15.896 -7.504
480 HA3 GLY 61 HA1 GLY 61 2.395 14.992 -8.979
481 H ALA 62 HN ALA 62 1.898 12.493 -7.424
482 HA ALA 62 HA ALA 62 0.528 11.344 -6.078
483 HB1 ALA 62 HB1 ALA 62 -0.583 12.452 -4.198
484 HB2 ALA 62 HB2 ALA 62 -0.279 14.027 -4.932
485 HB3 ALA 62 HB3 ALA 62 1.077 13.038 -4.388
Start of MODEL 20
1 H1 MET 1 HT1 MET 1 -5.128 -3.989 13.598
2 H2 MET 1 HT2 MET 1 -6.566 -4.186 12.733
3 H3 MET 1 HT3 MET 1 -5.969 -2.635 13.040
4 HA MET 1 HA MET 1 -5.597 -3.297 10.775
5 HB2 MET 1 HB2 MET 1 -3.212 -2.712 10.654
6 HB3 MET 1 HB1 MET 1 -4.029 -1.720 11.851
7 HG2 MET 1 HG2 MET 1 -3.087 -3.104 13.660
8 HG3 MET 1 HG1 MET 1 -2.282 -4.121 12.460
9 HE1 MET 1 HE1 MET 1 -0.689 -2.804 14.873
10 HE2 MET 1 HE2 MET 1 0.733 -2.160 14.052
11 HE3 MET 1 HE3 MET 1 0.113 -3.753 13.619
12 H LYS 2 HN LYS 2 -4.664 -4.696 9.277
13 HA LYS 2 HA LYS 2 -3.688 -7.324 10.240
14 HB2 LYS 2 HB2 LYS 2 -5.463 -6.754 7.823
15 HB3 LYS 2 HB1 LYS 2 -4.827 -8.329 8.248
16 HG2 LYS 2 HG2 LYS 2 -6.624 -6.837 10.161
17 HG3 LYS 2 HG1 LYS 2 -7.304 -7.727 8.805
18 HD2 LYS 2 HD2 LYS 2 -7.407 -9.179 10.701
19 HD3 LYS 2 HD1 LYS 2 -6.129 -9.797 9.660
20 HE2 LYS 2 HE2 LYS 2 -4.439 -8.797 11.130
21 HE3 LYS 2 HE1 LYS 2 -5.705 -8.113 12.148
22 HZ1 LYS 2 HZ1 LYS 2 -4.804 -10.135 13.099
23 HZ2 LYS 2 HZ2 LYS 2 -5.213 -11.012 11.712
24 HZ3 LYS 2 HZ3 LYS 2 -6.426 -10.354 12.684
25 H LYS 3 HN LYS 3 -1.683 -7.707 9.569
26 HA LYS 3 HA LYS 3 -0.349 -5.949 7.680
27 HB2 LYS 3 HB2 LYS 3 1.689 -7.149 8.363
28 HB3 LYS 3 HB1 LYS 3 0.765 -6.651 9.774
29 HG2 LYS 3 HG2 LYS 3 -0.073 -8.923 10.077
30 HG3 LYS 3 HG1 LYS 3 0.752 -9.450 8.606
31 HD2 LYS 3 HD2 LYS 3 2.945 -8.777 9.732
32 HD3 LYS 3 HD1 LYS 3 2.013 -8.543 11.218
33 HE2 LYS 3 HE2 LYS 3 3.078 -10.768 11.151
34 HE3 LYS 3 HE1 LYS 3 1.316 -10.906 11.171
35 HZ1 LYS 3 HZ1 LYS 3 1.365 -11.237 8.763
36 HZ2 LYS 3 HZ2 LYS 3 2.284 -12.405 9.555
37 HZ3 LYS 3 HZ3 LYS 3 3.052 -11.131 8.761
38 H ILE 4 HN ILE 4 0.170 -6.426 5.598
39 HA ILE 4 HA ILE 4 0.053 -9.200 4.581
40 HB ILE 4 HB ILE 4 -1.305 -6.853 3.206
41 HG12 ILE 4 HG12 ILE 4 -2.434 -9.302 4.582
42 HG13 ILE 4 HG11 ILE 4 -2.843 -7.611 4.849
43 HG21 ILE 4 HG21 ILE 4 -1.126 -9.674 2.126
44 HG22 ILE 4 HG22 ILE 4 -0.195 -8.297 1.540
45 HG23 ILE 4 HG23 ILE 4 -1.950 -8.302 1.366
46 HD11 ILE 4 HD11 ILE 4 -4.657 -8.609 3.744
47 HD12 ILE 4 HD12 ILE 4 -3.611 -9.353 2.536
48 HD13 ILE 4 HD13 ILE 4 -3.841 -7.601 2.543
49 HA PRO 5 HA PRO 5 3.846 -7.711 2.510
50 HB2 PRO 5 HB2 PRO 5 3.586 -10.122 0.753
51 HB3 PRO 5 HB1 PRO 5 4.866 -9.722 1.917
52 HG2 PRO 5 HG2 PRO 5 3.104 -11.719 2.367
53 HG3 PRO 5 HG1 PRO 5 3.775 -10.736 3.693
54 HD2 PRO 5 HD2 PRO 5 1.077 -10.481 2.338
55 HD3 PRO 5 HD1 PRO 5 1.473 -10.418 4.067
56 H LEU 6 HN LEU 6 3.998 -6.320 0.764
57 HA LEU 6 HA LEU 6 1.852 -5.351 -0.635
58 HB2 LEU 6 HB2 LEU 6 3.963 -4.144 -0.482
59 HB3 LEU 6 HB1 LEU 6 4.776 -5.355 -1.456
60 HG LEU 6 HG LEU 6 3.347 -4.671 -3.420
61 HD11 LEU 6 HD11 LEU 6 1.426 -3.746 -2.246
62 HD12 LEU 6 HD12 LEU 6 2.113 -2.568 -3.358
63 HD13 LEU 6 HD13 LEU 6 2.413 -2.420 -1.624
64 HD21 LEU 6 HD21 LEU 6 4.975 -2.417 -2.217
65 HD22 LEU 6 HD22 LEU 6 4.549 -2.612 -3.920
66 HD23 LEU 6 HD23 LEU 6 5.618 -3.776 -3.143
67 H SER 7 HN SER 7 4.199 -7.771 -1.741
68 HA SER 7 HA SER 7 3.391 -8.104 -4.368
69 HB2 SER 7 HB2 SER 7 4.525 -10.248 -2.533
70 HB3 SER 7 HB1 SER 7 4.616 -10.214 -4.293
71 HG SER 7 HG SER 7 5.818 -8.218 -4.048
72 H LYS 8 HN LYS 8 2.380 -10.065 -1.517
73 HA LYS 8 HA LYS 8 0.521 -11.678 -2.972
74 HB2 LYS 8 HB2 LYS 8 0.858 -11.280 0.025
75 HB3 LYS 8 HB1 LYS 8 -0.229 -12.466 -0.699
76 HG2 LYS 8 HG2 LYS 8 1.836 -13.407 -1.904
77 HG3 LYS 8 HG1 LYS 8 2.797 -12.404 -0.812
78 HD2 LYS 8 HD2 LYS 8 1.831 -13.567 1.132
79 HD3 LYS 8 HD1 LYS 8 0.802 -14.525 0.061
80 HE2 LYS 8 HE2 LYS 8 2.801 -15.554 -0.947
81 HE3 LYS 8 HE1 LYS 8 3.837 -14.586 0.105
82 HZ1 LYS 8 HZ1 LYS 8 1.915 -16.688 0.943
83 HZ2 LYS 8 HZ2 LYS 8 2.744 -15.681 2.020
84 HZ3 LYS 8 HZ3 LYS 8 3.603 -16.751 1.033
85 H TYR 9 HN TYR 9 0.237 -8.599 -1.348
86 HA TYR 9 HA TYR 9 -2.614 -8.486 -1.306
87 HB2 TYR 9 HB2 TYR 9 -1.345 -6.865 0.026
88 HB3 TYR 9 HB1 TYR 9 -0.572 -6.214 -1.402
89 HD1 TYR 9 HD1 TYR 9 -3.698 -6.331 0.557
90 HD2 TYR 9 HD2 TYR 9 -1.822 -4.693 -2.923
91 HE1 TYR 9 HE1 TYR 9 -5.562 -4.796 0.261
92 HE2 TYR 9 HE2 TYR 9 -3.701 -3.159 -3.206
93 HH TYR 9 HH TYR 9 -6.142 -2.750 -0.837
94 H LEU 10 HN LEU 10 -0.144 -7.486 -3.672
95 HA LEU 10 HA LEU 10 -1.888 -6.304 -5.563
96 HB2 LEU 10 HB2 LEU 10 0.930 -7.408 -5.881
97 HB3 LEU 10 HB1 LEU 10 0.092 -6.497 -7.129
98 HG LEU 10 HG LEU 10 0.891 -5.420 -4.395
99 HD11 LEU 10 HD11 LEU 10 2.517 -4.050 -5.629
100 HD12 LEU 10 HD12 LEU 10 2.067 -4.853 -7.136
101 HD13 LEU 10 HD13 LEU 10 2.825 -5.775 -5.831
102 HD21 LEU 10 HD21 LEU 10 -0.467 -3.997 -6.707
103 HD22 LEU 10 HD22 LEU 10 0.172 -3.216 -5.258
104 HD23 LEU 10 HD23 LEU 10 -1.165 -4.353 -5.125
105 H GLU 11 HN GLU 11 -0.958 -9.615 -5.005
106 HA GLU 11 HA GLU 11 -1.854 -10.564 -7.605
107 HB2 GLU 11 HB2 GLU 11 -1.064 -12.162 -5.124
108 HB3 GLU 11 HB1 GLU 11 -1.279 -12.801 -6.749
109 HG2 GLU 11 HG2 GLU 11 0.898 -10.956 -5.769
110 HG3 GLU 11 HG1 GLU 11 1.073 -12.614 -6.320
111 H GLU 12 HN GLU 12 -2.922 -10.886 -4.188
112 HA GLU 12 HA GLU 12 -5.237 -12.468 -5.105
113 HB2 GLU 12 HB2 GLU 12 -3.784 -13.530 -3.453
114 HB3 GLU 12 HB1 GLU 12 -3.968 -12.173 -2.345
115 HG2 GLU 12 HG2 GLU 12 -5.311 -14.108 -1.643
116 HG3 GLU 12 HG1 GLU 12 -6.333 -12.724 -2.016
117 H HIS 13 HN HIS 13 -4.523 -9.566 -3.172
118 HA HIS 13 HA HIS 13 -7.301 -9.422 -2.223
119 HB2 HIS 13 HB2 HIS 13 -4.742 -7.998 -1.425
120 HB3 HIS 13 HB1 HIS 13 -6.312 -7.528 -0.782
121 HD1 HIS 13 HD1 HIS 13 -7.073 -8.736 1.236
122 HD2 HIS 13 HD2 HIS 13 -4.107 -10.829 -0.787
123 HE1 HIS 13 HE1 HIS 13 -6.474 -10.650 2.719
124 HE2 HIS 13 HE2 HIS 13 -4.776 -11.992 1.427
125 H GLY 14 HN GLY 14 -5.156 -7.662 -4.364
126 HA2 GLY 14 HA2 GLY 14 -7.235 -6.150 -5.582
127 HA3 GLY 14 HA1 GLY 14 -6.333 -5.144 -4.449
128 H THR 15 HN THR 15 -6.369 -4.618 -7.223
129 HA THR 15 HA THR 15 -3.814 -5.573 -8.319
130 HB THR 15 HB THR 15 -4.545 -4.101 -10.325
131 HG1 THR 15 HG1 THR 15 -7.149 -4.285 -9.284
132 HG21 THR 15 HG21 THR 15 -6.301 -6.447 -9.520
133 HG22 THR 15 HG22 THR 15 -4.751 -6.550 -10.359
134 HG23 THR 15 HG23 THR 15 -6.137 -5.805 -11.156
135 H GLN 16 HN GLN 16 -2.631 -3.735 -9.592
136 HA GLN 16 HA GLN 16 -1.431 -2.074 -7.587
137 HB2 GLN 16 HB2 GLN 16 -0.849 -2.144 -10.590
138 HB3 GLN 16 HB1 GLN 16 0.152 -1.376 -9.369
139 HG2 GLN 16 HG2 GLN 16 1.223 -3.417 -9.985
140 HG3 GLN 16 HG1 GLN 16 0.547 -3.663 -8.373
141 HE21 GLN 16 HE21 GLN 16 -1.067 -5.224 -8.109
142 HE22 GLN 16 HE22 GLN 16 -1.524 -6.327 -9.358
143 H SER 17 HN SER 17 -3.441 -1.590 -10.439
144 HA SER 17 HA SER 17 -3.697 1.221 -10.450
145 HB2 SER 17 HB2 SER 17 -5.798 -0.854 -11.216
146 HB3 SER 17 HB1 SER 17 -5.725 0.818 -11.779
147 HG SER 17 HG SER 17 -4.353 0.236 -13.256
148 H ALA 18 HN ALA 18 -5.585 -1.327 -8.872
149 HA ALA 18 HA ALA 18 -7.617 0.236 -7.716
150 HB1 ALA 18 HB1 ALA 18 -7.733 -2.218 -7.985
151 HB2 ALA 18 HB2 ALA 18 -8.082 -1.713 -6.329
152 HB3 ALA 18 HB3 ALA 18 -6.506 -2.406 -6.727
153 H LEU 19 HN LEU 19 -4.486 -0.866 -6.525
154 HA LEU 19 HA LEU 19 -4.837 0.027 -3.849
155 HB2 LEU 19 HB2 LEU 19 -3.244 -1.759 -4.365
156 HB3 LEU 19 HB1 LEU 19 -2.300 -0.679 -5.381
157 HG LEU 19 HG LEU 19 -1.608 0.629 -3.405
158 HD11 LEU 19 HD11 LEU 19 -3.584 0.421 -1.997
159 HD12 LEU 19 HD12 LEU 19 -2.138 -0.054 -1.116
160 HD13 LEU 19 HD13 LEU 19 -3.245 -1.291 -1.719
161 HD21 LEU 19 HD21 LEU 19 -0.180 -1.044 -2.314
162 HD22 LEU 19 HD22 LEU 19 -0.220 -1.275 -4.059
163 HD23 LEU 19 HD23 LEU 19 -1.152 -2.346 -3.008
164 H ALA 20 HN ALA 20 -3.172 1.344 -6.706
165 HA ALA 20 HA ALA 20 -2.264 3.795 -5.719
166 HB1 ALA 20 HB1 ALA 20 -1.702 2.918 -7.953
167 HB2 ALA 20 HB2 ALA 20 -2.333 4.562 -8.056
168 HB3 ALA 20 HB3 ALA 20 -3.359 3.192 -8.495
169 H ALA 21 HN ALA 21 -5.470 2.931 -7.025
170 HA ALA 21 HA ALA 21 -6.669 5.498 -6.850
171 HB1 ALA 21 HB1 ALA 21 -8.799 4.293 -7.151
172 HB2 ALA 21 HB2 ALA 21 -7.981 2.758 -6.831
173 HB3 ALA 21 HB3 ALA 21 -7.564 3.700 -8.262
174 H ALA 22 HN ALA 22 -6.344 2.834 -4.590
175 HA ALA 22 HA ALA 22 -8.160 3.817 -2.592
176 HB1 ALA 22 HB1 ALA 22 -5.979 1.712 -2.362
177 HB2 ALA 22 HB2 ALA 22 -7.646 1.422 -2.867
178 HB3 ALA 22 HB3 ALA 22 -7.314 1.976 -1.227
179 H LEU 23 HN LEU 23 -4.786 4.345 -3.309
180 HA LEU 23 HA LEU 23 -4.244 5.624 -0.709
181 HB2 LEU 23 HB2 LEU 23 -2.378 5.169 -3.082
182 HB3 LEU 23 HB1 LEU 23 -1.906 5.729 -1.485
183 HG LEU 23 HG LEU 23 -3.016 2.970 -2.123
184 HD11 LEU 23 HD11 LEU 23 -0.755 3.256 -3.000
185 HD12 LEU 23 HD12 LEU 23 -0.786 2.107 -1.666
186 HD13 LEU 23 HD13 LEU 23 -0.182 3.745 -1.403
187 HD21 LEU 23 HD21 LEU 23 -2.403 2.394 0.216
188 HD22 LEU 23 HD22 LEU 23 -3.711 3.570 0.089
189 HD23 LEU 23 HD23 LEU 23 -2.080 4.105 0.516
190 H GLY 24 HN GLY 24 -5.296 6.442 -3.856
191 HA2 GLY 24 HA2 GLY 24 -5.921 8.467 -4.766
192 HA3 GLY 24 HA1 GLY 24 -5.309 9.280 -3.335
193 H VAL 25 HN VAL 25 -3.466 7.096 -5.371
194 HA VAL 25 HA VAL 25 -1.658 9.262 -6.264
195 HB VAL 25 HB VAL 25 0.282 7.913 -5.775
196 HG11 VAL 25 HG11 VAL 25 -1.545 7.655 -3.370
197 HG12 VAL 25 HG12 VAL 25 -0.715 9.139 -3.851
198 HG13 VAL 25 HG13 VAL 25 0.219 7.729 -3.365
199 HG21 VAL 25 HG21 VAL 25 -0.539 5.679 -6.388
200 HG22 VAL 25 HG22 VAL 25 -1.580 5.635 -4.966
201 HG23 VAL 25 HG23 VAL 25 0.176 5.630 -4.776
202 H ASN 26 HN ASN 26 -0.113 8.364 -8.000
203 HA ASN 26 HA ASN 26 -1.565 6.930 -10.093
204 HB2 ASN 26 HB2 ASN 26 -0.160 8.932 -10.632
205 HB3 ASN 26 HB1 ASN 26 1.265 8.095 -10.039
206 HD21 ASN 26 HD21 ASN 26 2.341 8.263 -12.004
207 HD22 ASN 26 HD22 ASN 26 1.882 7.364 -13.408
208 H GLN 27 HN GLN 27 -0.607 5.048 -11.144
209 HA GLN 27 HA GLN 27 -0.024 2.887 -9.448
210 HB2 GLN 27 HB2 GLN 27 0.616 3.049 -12.425
211 HB3 GLN 27 HB1 GLN 27 0.358 1.579 -11.492
212 HG2 GLN 27 HG2 GLN 27 -1.986 2.053 -11.254
213 HG3 GLN 27 HG1 GLN 27 -1.791 3.671 -11.925
214 HE21 GLN 27 HE21 GLN 27 0.036 2.759 -14.073
215 HE22 GLN 27 HE22 GLN 27 -0.970 1.955 -15.220
216 H SER 28 HN SER 28 2.080 5.096 -11.149
217 HA SER 28 HA SER 28 4.483 3.684 -11.244
218 HB2 SER 28 HB2 SER 28 4.045 5.754 -12.512
219 HB3 SER 28 HB1 SER 28 4.052 6.697 -11.025
220 HG SER 28 HG SER 28 6.058 6.878 -11.979
221 H ALA 29 HN ALA 29 3.006 5.398 -8.541
222 HA ALA 29 HA ALA 29 5.205 5.480 -6.755
223 HB1 ALA 29 HB1 ALA 29 3.486 5.639 -4.988
224 HB2 ALA 29 HB2 ALA 29 2.240 5.191 -6.155
225 HB3 ALA 29 HB3 ALA 29 3.120 6.711 -6.338
226 H ILE 30 HN ILE 30 2.594 3.054 -7.078
227 HA ILE 30 HA ILE 30 3.604 1.214 -5.196
228 HB ILE 30 HB ILE 30 1.632 0.898 -7.506
229 HG12 ILE 30 HG12 ILE 30 -0.005 0.487 -5.595
230 HG13 ILE 30 HG11 ILE 30 1.281 0.896 -4.468
231 HG21 ILE 30 HG21 ILE 30 2.389 -1.299 -5.555
232 HG22 ILE 30 HG22 ILE 30 2.691 -1.292 -7.295
233 HG23 ILE 30 HG23 ILE 30 1.037 -1.345 -6.687
234 HD11 ILE 30 HD11 ILE 30 1.354 3.148 -5.395
235 HD12 ILE 30 HD12 ILE 30 -0.260 2.720 -4.816
236 HD13 ILE 30 HD13 ILE 30 0.091 2.704 -6.545
237 H SER 31 HN SER 31 3.949 1.366 -8.744
238 HA SER 31 HA SER 31 5.444 -0.986 -9.157
239 HB2 SER 31 HB2 SER 31 5.445 1.588 -10.809
240 HB3 SER 31 HB1 SER 31 5.947 -0.009 -11.374
241 HG SER 31 HG SER 31 3.882 -0.687 -11.351
242 H GLN 32 HN GLN 32 6.453 2.303 -8.279
243 HA GLN 32 HA GLN 32 9.273 1.960 -8.495
244 HB2 GLN 32 HB2 GLN 32 8.266 4.197 -8.296
245 HB3 GLN 32 HB1 GLN 32 7.619 3.806 -6.707
246 HG2 GLN 32 HG2 GLN 32 10.003 3.569 -5.892
247 HG3 GLN 32 HG1 GLN 32 10.535 4.180 -7.458
248 HE21 GLN 32 HE21 GLN 32 7.670 5.332 -5.690
249 HE22 GLN 32 HE22 GLN 32 8.296 6.905 -5.348
250 H MET 33 HN MET 33 7.015 1.633 -5.803
251 HA MET 33 HA MET 33 8.814 0.905 -3.755
252 HB2 MET 33 HB2 MET 33 5.863 0.295 -4.042
253 HB3 MET 33 HB1 MET 33 6.785 0.253 -2.546
254 HG2 MET 33 HG2 MET 33 7.135 2.876 -3.707
255 HG3 MET 33 HG1 MET 33 5.422 2.487 -3.732
256 HE1 MET 33 HE1 MET 33 5.398 0.476 -1.192
257 HE2 MET 33 HE2 MET 33 4.118 1.630 -1.610
258 HE3 MET 33 HE3 MET 33 4.790 1.612 0.022
259 H VAL 34 HN VAL 34 7.207 -0.950 -6.240
260 HA VAL 34 HA VAL 34 7.763 -3.588 -5.242
261 HB VAL 34 HB VAL 34 6.893 -2.508 -7.971
262 HG11 VAL 34 HG11 VAL 34 7.186 -5.435 -7.214
263 HG12 VAL 34 HG12 VAL 34 8.166 -4.560 -8.393
264 HG13 VAL 34 HG13 VAL 34 6.448 -4.814 -8.694
265 HG21 VAL 34 HG21 VAL 34 5.365 -4.108 -5.884
266 HG22 VAL 34 HG22 VAL 34 4.717 -3.524 -7.420
267 HG23 VAL 34 HG23 VAL 34 5.207 -2.376 -6.175
268 H ARG 35 HN ARG 35 9.124 -1.683 -7.973
269 HA ARG 35 HA ARG 35 11.130 -3.686 -8.521
270 HB2 ARG 35 HB2 ARG 35 10.715 -0.959 -9.815
271 HB3 ARG 35 HB1 ARG 35 11.790 -2.223 -10.405
272 HG2 ARG 35 HG2 ARG 35 9.692 -3.713 -10.605
273 HG3 ARG 35 HG1 ARG 35 8.762 -2.237 -10.332
274 HD2 ARG 35 HD2 ARG 35 10.618 -2.854 -12.649
275 HD3 ARG 35 HD1 ARG 35 8.877 -2.569 -12.703
276 HE ARG 35 HE ARG 35 9.717 -0.236 -11.755
277 HH11 ARG 35 HH11 ARG 35 10.935 -2.069 -14.504
278 HH12 ARG 35 HH12 ARG 35 11.495 -0.660 -15.343
279 HH21 ARG 35 HH21 ARG 35 11.265 1.415 -14.386
280 HH22 ARG 35 HH22 ARG 35 10.529 1.588 -12.822
281 H ALA 36 HN ALA 36 11.074 -1.056 -6.396
282 HA ALA 36 HA ALA 36 13.864 -0.378 -6.350
283 HB1 ALA 36 HB1 ALA 36 12.155 1.112 -5.383
284 HB2 ALA 36 HB2 ALA 36 13.354 0.671 -4.169
285 HB3 ALA 36 HB3 ALA 36 11.762 -0.098 -4.160
286 H GLY 37 HN GLY 37 12.066 -3.107 -5.256
287 HA2 GLY 37 HA2 GLY 37 12.627 -4.996 -4.055
288 HA3 GLY 37 HA1 GLY 37 14.284 -4.405 -3.963
289 H ARG 38 HN ARG 38 11.552 -2.515 -2.960
290 HA ARG 38 HA ARG 38 12.520 -2.339 -0.201
291 HB2 ARG 38 HB2 ARG 38 12.083 -0.277 -1.565
292 HB3 ARG 38 HB1 ARG 38 10.400 -0.744 -1.725
293 HG2 ARG 38 HG2 ARG 38 10.555 1.013 -0.102
294 HG3 ARG 38 HG1 ARG 38 10.128 -0.471 0.740
295 HD2 ARG 38 HD2 ARG 38 12.985 0.519 0.617
296 HD3 ARG 38 HD1 ARG 38 11.857 1.090 1.843
297 HE ARG 38 HE ARG 38 13.155 -1.485 1.712
298 HH11 ARG 38 HH11 ARG 38 10.250 -0.863 4.439
299 HH12 ARG 38 HH12 ARG 38 10.420 0.257 3.129
300 HH21 ARG 38 HH21 ARG 38 11.650 -2.652 4.618
301 HH22 ARG 38 HH22 ARG 38 12.899 -2.919 3.447
302 H CYS 39 HN CYS 39 11.611 -3.667 1.301
303 HA CYS 39 HA CYS 39 9.312 -5.291 0.784
304 HB2 CYS 39 HB2 CYS 39 11.137 -6.094 2.228
305 HB3 CYS 39 HB1 CYS 39 10.810 -4.808 3.387
306 HG CYS 39 HG CYS 39 9.714 -7.770 3.493
307 H ILE 40 HN ILE 40 7.258 -4.621 0.893
308 HA ILE 40 HA ILE 40 6.536 -2.305 2.606
309 HB ILE 40 HB ILE 40 5.182 -3.129 -0.014
310 HG12 ILE 40 HG12 ILE 40 7.433 -2.384 -0.553
311 HG13 ILE 40 HG11 ILE 40 6.277 -1.161 -1.065
312 HG21 ILE 40 HG21 ILE 40 4.049 -0.976 0.092
313 HG22 ILE 40 HG22 ILE 40 4.826 -0.623 1.636
314 HG23 ILE 40 HG23 ILE 40 3.681 -1.961 1.507
315 HD11 ILE 40 HD11 ILE 40 6.821 0.108 1.000
316 HD12 ILE 40 HD12 ILE 40 8.175 -0.109 -0.106
317 HD13 ILE 40 HD13 ILE 40 8.063 -1.097 1.348
318 H ASP 41 HN ASP 41 4.645 -2.431 3.801
319 HA ASP 41 HA ASP 41 3.185 -5.013 3.860
320 HB2 ASP 41 HB2 ASP 41 4.801 -4.835 5.751
321 HB3 ASP 41 HB1 ASP 41 4.054 -3.321 6.259
322 H ILE 42 HN ILE 42 1.135 -4.609 3.274
323 HA ILE 42 HA ILE 42 0.031 -1.920 3.344
324 HB ILE 42 HB ILE 42 -1.257 -4.508 2.323
325 HG12 ILE 42 HG12 ILE 42 0.821 -4.018 1.074
326 HG13 ILE 42 HG11 ILE 42 -0.586 -3.745 0.056
327 HG21 ILE 42 HG21 ILE 42 -2.931 -2.771 2.781
328 HG22 ILE 42 HG22 ILE 42 -2.752 -2.995 1.043
329 HG23 ILE 42 HG23 ILE 42 -2.018 -1.595 1.829
330 HD11 ILE 42 HD11 ILE 42 1.092 -2.030 -0.291
331 HD12 ILE 42 HD12 ILE 42 1.062 -1.609 1.418
332 HD13 ILE 42 HD13 ILE 42 -0.359 -1.319 0.412
333 H GLU 43 HN GLU 43 -0.997 -1.194 5.035
334 HA GLU 43 HA GLU 43 -1.995 -2.731 7.226
335 HB2 GLU 43 HB2 GLU 43 -2.593 0.198 6.565
336 HB3 GLU 43 HB1 GLU 43 -2.729 -0.580 8.140
337 HG2 GLU 43 HG2 GLU 43 -0.310 -0.835 8.283
338 HG3 GLU 43 HG1 GLU 43 -0.109 -0.209 6.648
339 H LEU 44 HN LEU 44 -3.646 -4.079 6.660
340 HA LEU 44 HA LEU 44 -6.005 -3.194 5.197
341 HB2 LEU 44 HB2 LEU 44 -4.877 -5.787 6.149
342 HB3 LEU 44 HB1 LEU 44 -6.622 -5.708 6.256
343 HG LEU 44 HG LEU 44 -5.840 -6.766 4.167
344 HD11 LEU 44 HD11 LEU 44 -7.338 -4.163 3.767
345 HD12 LEU 44 HD12 LEU 44 -8.024 -5.737 4.174
346 HD13 LEU 44 HD13 LEU 44 -7.264 -5.490 2.605
347 HD21 LEU 44 HD21 LEU 44 -4.744 -5.533 2.400
348 HD22 LEU 44 HD22 LEU 44 -3.757 -5.441 3.858
349 HD23 LEU 44 HD23 LEU 44 -4.734 -4.053 3.372
350 H TYR 45 HN TYR 45 -7.573 -2.134 6.183
351 HA TYR 45 HA TYR 45 -8.116 -2.436 9.064
352 HB2 TYR 45 HB2 TYR 45 -9.280 -0.483 7.016
353 HB3 TYR 45 HB1 TYR 45 -9.554 -0.445 8.757
354 HD1 TYR 45 HD1 TYR 45 -7.955 0.683 10.222
355 HD2 TYR 45 HD2 TYR 45 -6.942 -0.025 6.127
356 HE1 TYR 45 HE1 TYR 45 -5.950 2.103 10.458
357 HE2 TYR 45 HE2 TYR 45 -4.949 1.384 6.377
358 HH TYR 45 HH TYR 45 -4.147 3.216 7.813
359 H THR 46 HN THR 46 -10.094 -3.285 9.755
360 HA THR 46 HA THR 46 -11.026 -5.425 8.144
361 HB THR 46 HB THR 46 -12.533 -5.897 10.130
362 HG1 THR 46 HG1 THR 46 -12.905 -3.873 10.961
363 HG21 THR 46 HG21 THR 46 -10.244 -6.842 10.056
364 HG22 THR 46 HG22 THR 46 -10.693 -6.407 11.705
365 HG23 THR 46 HG23 THR 46 -9.604 -5.367 10.788
366 H ASP 47 HN ASP 47 -12.180 -2.206 8.395
367 HA ASP 47 HA ASP 47 -14.937 -2.721 7.675
368 HB2 ASP 47 HB2 ASP 47 -15.222 -0.341 7.659
369 HB3 ASP 47 HB1 ASP 47 -14.154 -0.706 9.006
370 H GLY 48 HN GLY 48 -11.979 -2.512 5.983
371 HA2 GLY 48 HA2 GLY 48 -11.999 -3.396 3.698
372 HA3 GLY 48 HA1 GLY 48 -13.357 -2.337 3.353
373 H ARG 49 HN ARG 49 -11.389 -0.458 5.232
374 HA ARG 49 HA ARG 49 -10.197 0.984 3.045
375 HB2 ARG 49 HB2 ARG 49 -10.347 1.299 6.006
376 HB3 ARG 49 HB1 ARG 49 -8.802 1.820 5.352
377 HG2 ARG 49 HG2 ARG 49 -10.351 3.695 5.552
378 HG3 ARG 49 HG1 ARG 49 -9.932 3.409 3.864
379 HD2 ARG 49 HD2 ARG 49 -12.086 2.370 3.446
380 HD3 ARG 49 HD1 ARG 49 -12.497 2.412 5.162
381 HE ARG 49 HE ARG 49 -12.248 4.777 3.401
382 HH11 ARG 49 HH11 ARG 49 -13.689 3.235 6.230
383 HH12 ARG 49 HH12 ARG 49 -14.718 4.591 6.587
384 HH21 ARG 49 HH21 ARG 49 -14.608 6.492 5.269
385 HH22 ARG 49 HH22 ARG 49 -13.506 6.570 3.933
386 H VAL 50 HN VAL 50 -8.101 0.916 2.266
387 HA VAL 50 HA VAL 50 -6.115 -0.822 3.618
388 HB VAL 50 HB VAL 50 -5.175 -1.541 1.472
389 HG11 VAL 50 HG11 VAL 50 -6.899 -2.960 2.454
390 HG12 VAL 50 HG12 VAL 50 -6.947 -3.059 0.696
391 HG13 VAL 50 HG13 VAL 50 -8.157 -2.103 1.561
392 HG21 VAL 50 HG21 VAL 50 -6.276 -1.121 -0.701
393 HG22 VAL 50 HG22 VAL 50 -5.732 0.379 0.047
394 HG23 VAL 50 HG23 VAL 50 -7.442 -0.050 0.092
395 H GLU 51 HN GLU 51 -4.277 0.224 4.066
396 HA GLU 51 HA GLU 51 -3.510 2.656 2.570
397 HB2 GLU 51 HB2 GLU 51 -3.588 2.331 5.600
398 HB3 GLU 51 HB1 GLU 51 -2.657 3.593 4.796
399 HG2 GLU 51 HG2 GLU 51 -4.753 4.464 3.779
400 HG3 GLU 51 HG1 GLU 51 -5.661 3.236 4.652
401 H CYS 52 HN CYS 52 -1.408 2.793 2.095
402 HA CYS 52 HA CYS 52 0.405 0.626 2.895
403 HB2 CYS 52 HB2 CYS 52 0.136 1.101 0.474
404 HB3 CYS 52 HB1 CYS 52 0.698 2.753 0.732
405 HG CYS 52 HG CYS 52 2.413 0.022 0.198
406 H ARG 53 HN ARG 53 1.430 1.108 4.767
407 HA ARG 53 HA ARG 53 1.672 3.610 5.988
408 HB2 ARG 53 HB2 ARG 53 1.792 1.335 7.083
409 HB3 ARG 53 HB1 ARG 53 3.435 1.161 6.481
410 HG2 ARG 53 HG2 ARG 53 4.196 3.002 7.865
411 HG3 ARG 53 HG1 ARG 53 2.540 3.399 8.327
412 HD2 ARG 53 HD2 ARG 53 2.370 1.162 9.454
413 HD3 ARG 53 HD1 ARG 53 4.070 0.885 9.070
414 HE ARG 53 HE ARG 53 4.691 2.582 10.600
415 HH11 ARG 53 HH11 ARG 53 1.216 1.973 10.692
416 HH12 ARG 53 HH12 ARG 53 1.012 2.725 12.241
417 HH21 ARG 53 HH21 ARG 53 4.399 3.573 12.613
418 HH22 ARG 53 HH22 ARG 53 2.821 3.638 13.336
419 H GLU 54 HN GLU 54 3.806 1.992 3.743
420 HA GLU 54 HA GLU 54 6.078 3.728 4.166
421 HB2 GLU 54 HB2 GLU 54 6.322 1.329 3.462
422 HB3 GLU 54 HB1 GLU 54 5.607 1.744 1.906
423 HG2 GLU 54 HG2 GLU 54 7.995 1.669 1.639
424 HG3 GLU 54 HG1 GLU 54 7.497 3.348 1.516
425 H LEU 55 HN LEU 55 3.441 3.419 1.813
426 HA LEU 55 HA LEU 55 4.482 5.474 0.077
427 HB2 LEU 55 HB2 LEU 55 3.192 3.507 -0.791
428 HB3 LEU 55 HB1 LEU 55 1.755 4.105 0.009
429 HG LEU 55 HG LEU 55 1.970 4.524 -2.536
430 HD11 LEU 55 HD11 LEU 55 0.898 6.698 -2.470
431 HD12 LEU 55 HD12 LEU 55 1.427 6.952 -0.809
432 HD13 LEU 55 HD13 LEU 55 0.279 5.666 -1.186
433 HD21 LEU 55 HD21 LEU 55 3.261 6.511 -3.240
434 HD22 LEU 55 HD22 LEU 55 4.305 5.237 -2.604
435 HD23 LEU 55 HD23 LEU 55 3.933 6.650 -1.611
436 H ARG 56 HN ARG 56 4.675 7.149 1.440
437 HA ARG 56 HA ARG 56 2.380 8.572 2.507
438 HB2 ARG 56 HB2 ARG 56 5.313 9.307 2.156
439 HB3 ARG 56 HB1 ARG 56 4.117 10.356 2.923
440 HG2 ARG 56 HG2 ARG 56 3.722 8.709 4.677
441 HG3 ARG 56 HG1 ARG 56 4.815 7.566 3.890
442 HD2 ARG 56 HD2 ARG 56 5.685 10.289 4.869
443 HD3 ARG 56 HD1 ARG 56 5.788 8.825 5.848
444 HE ARG 56 HE ARG 56 7.193 7.933 3.896
445 HH11 ARG 56 HH11 ARG 56 7.235 11.315 4.854
446 HH12 ARG 56 HH12 ARG 56 8.850 11.583 4.279
447 HH21 ARG 56 HH21 ARG 56 10.026 9.842 3.309
448 HH22 ARG 56 HH22 ARG 56 9.304 8.269 3.159
449 HA PRO 57 HA PRO 57 1.372 10.858 -1.317
450 HB2 PRO 57 HB2 PRO 57 0.920 13.308 0.357
451 HB3 PRO 57 HB1 PRO 57 -0.214 12.420 -0.685
452 HG2 PRO 57 HG2 PRO 57 -0.434 12.273 1.968
453 HG3 PRO 57 HG1 PRO 57 -0.718 10.834 0.958
454 HD2 PRO 57 HD2 PRO 57 1.760 11.577 2.528
455 HD3 PRO 57 HD1 PRO 57 0.909 10.014 2.441
456 H ASP 58 HN ASP 58 3.984 11.592 0.659
457 HA ASP 58 HA ASP 58 5.199 13.871 -0.385
458 HB2 ASP 58 HB2 ASP 58 5.915 12.680 1.679
459 HB3 ASP 58 HB1 ASP 58 6.474 11.316 0.718
460 H VAL 59 HN VAL 59 4.931 10.626 -1.598
461 HA VAL 59 HA VAL 59 6.974 10.336 -3.403
462 HB VAL 59 HB VAL 59 5.334 8.588 -2.697
463 HG11 VAL 59 HG11 VAL 59 3.259 9.834 -2.949
464 HG12 VAL 59 HG12 VAL 59 3.190 8.338 -3.879
465 HG13 VAL 59 HG13 VAL 59 3.457 9.877 -4.702
466 HG21 VAL 59 HG21 VAL 59 5.303 7.328 -4.830
467 HG22 VAL 59 HG22 VAL 59 6.852 8.135 -4.589
468 HG23 VAL 59 HG23 VAL 59 5.678 8.809 -5.719
469 H PHE 60 HN PHE 60 4.058 12.244 -3.767
470 HA PHE 60 HA PHE 60 4.161 12.845 -6.540
471 HB2 PHE 60 HB2 PHE 60 3.029 14.309 -4.128
472 HB3 PHE 60 HB1 PHE 60 2.881 14.952 -5.757
473 HD1 PHE 60 HD1 PHE 60 0.801 14.659 -6.714
474 HD2 PHE 60 HD2 PHE 60 2.238 11.603 -4.051
475 HE1 PHE 60 HE1 PHE 60 -1.299 13.415 -7.000
476 HE2 PHE 60 HE2 PHE 60 0.127 10.405 -4.347
477 HZ PHE 60 HZ PHE 60 -1.638 11.287 -5.814
478 H GLY 61 HN GLY 61 5.061 14.903 -3.746
479 HA2 GLY 61 HA2 GLY 61 6.746 16.622 -5.423
480 HA3 GLY 61 HA1 GLY 61 6.190 16.945 -3.785
481 H ALA 62 HN ALA 62 7.890 14.149 -5.172
482 HA ALA 62 HA ALA 62 9.757 14.149 -2.903
483 HB1 ALA 62 HB1 ALA 62 9.110 11.981 -4.936
484 HB2 ALA 62 HB2 ALA 62 8.432 12.111 -3.315
485 HB3 ALA 62 HB3 ALA 62 10.160 11.794 -3.525
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