NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
8498 |
1mb6   |
5527 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLU 1 HT1 GLU 1 4.948 12.101 0.508
2 2H GLU 1 HT2 GLU 1 4.717 13.215 1.770
3 3H GLU 1 HT3 GLU 1 3.415 12.277 1.212
4 HA GLU 1 HA GLU 1 5.838 11.194 2.563
5 1HB GLU 1 HB2 GLU 1 4.020 12.723 3.738
6 2HB GLU 1 HB1 GLU 1 3.048 11.252 3.672
7 1HG GLU 1 HG2 GLU 1 4.531 10.056 5.040
8 2HG GLU 1 HG1 GLU 1 5.871 11.157 4.714
9 H CYS 2 HN CYS 2 5.909 8.942 2.571
10 HA CYS 2 HA CYS 2 4.248 7.502 0.659
11 1HB CYS 2 HB2 CYS 2 5.760 5.727 1.107
12 2HB CYS 2 HB1 CYS 2 6.726 7.184 1.324
13 H LEU 3 HN LEU 3 3.112 5.434 1.327
14 HA LEU 3 HA LEU 3 1.495 5.919 3.793
15 1HB LEU 3 HB2 LEU 3 1.101 4.360 1.225
16 2HB LEU 3 HB1 LEU 3 -0.011 4.226 2.586
17 HG LEU 3 HG LEU 3 0.722 6.856 1.267
18 1HD1 LEU 3 HD11 LEU 3 -0.828 6.465 -0.324
19 2HD1 LEU 3 HD12 LEU 3 -2.013 5.967 0.883
20 3HD1 LEU 3 HD13 LEU 3 -0.880 4.789 0.222
21 1HD2 LEU 3 HD21 LEU 3 -1.074 5.981 3.496
22 2HD2 LEU 3 HD22 LEU 3 -1.627 7.299 2.464
23 3HD2 LEU 3 HD23 LEU 3 -0.108 7.449 3.347
24 H GLU 4 HN GLU 4 1.910 4.625 5.533
25 HA GLU 4 HA GLU 4 3.781 2.402 5.406
26 1HB GLU 4 HB2 GLU 4 1.883 3.465 7.524
27 2HB GLU 4 HB1 GLU 4 3.071 2.197 7.827
28 1HG GLU 4 HG2 GLU 4 4.895 3.648 7.477
29 2HG GLU 4 HG1 GLU 4 3.905 4.831 6.622
30 H ILE 5 HN ILE 5 2.797 0.369 6.858
31 HA ILE 5 HA ILE 5 1.110 -1.097 5.061
32 HB ILE 5 HB ILE 5 2.814 -2.034 6.617
33 1HG1 ILE 5 HG12 ILE 5 1.314 -3.883 7.570
34 2HG1 ILE 5 HG11 ILE 5 -0.041 -2.995 6.877
35 1HG2 ILE 5 HG21 ILE 5 0.834 -1.078 8.693
36 2HG2 ILE 5 HG22 ILE 5 2.557 -0.717 8.584
37 3HG2 ILE 5 HG23 ILE 5 2.022 -2.335 9.035
38 1HD1 ILE 5 HD11 ILE 5 2.296 -4.248 5.431
39 2HD1 ILE 5 HD12 ILE 5 1.262 -3.042 4.665
40 3HD1 ILE 5 HD13 ILE 5 0.578 -4.573 5.209
41 H PHE 6 HN PHE 6 -1.063 -1.846 5.406
42 HA PHE 6 HA PHE 6 -3.338 -1.573 5.931
43 1HB PHE 6 HB2 PHE 6 -1.832 -0.998 8.472
44 2HB PHE 6 HB1 PHE 6 -3.583 -0.826 8.446
45 HD1 PHE 6 HD1 PHE 6 -3.848 -2.674 10.057
46 HD2 PHE 6 HD2 PHE 6 -1.963 -3.295 6.246
47 HE1 PHE 6 HE1 PHE 6 -4.088 -5.124 10.332
48 HE2 PHE 6 HE2 PHE 6 -2.204 -5.741 6.523
49 HZ PHE 6 HZ PHE 6 -3.268 -6.659 8.565
50 H LYS 7 HN LYS 7 -2.025 0.665 4.608
51 HA LYS 7 HA LYS 7 -3.461 3.016 5.798
52 1HB LYS 7 HB2 LYS 7 -0.982 2.614 4.138
53 2HB LYS 7 HB1 LYS 7 -1.816 4.166 4.088
54 1HG LYS 7 HG2 LYS 7 -1.271 2.956 6.768
55 2HG LYS 7 HG1 LYS 7 0.080 3.681 5.897
56 1HD LYS 7 HD2 LYS 7 -0.778 5.808 6.051
57 2HD LYS 7 HD1 LYS 7 -2.451 5.250 6.003
58 1HE LYS 7 HE2 LYS 7 -1.824 4.190 8.361
59 2HE LYS 7 HE1 LYS 7 -0.600 5.475 8.352
60 1HZ LYS 7 HZ1 LYS 7 -2.700 6.281 9.261
61 2HZ LYS 7 HZ2 LYS 7 -3.505 5.852 7.828
62 3HZ LYS 7 HZ3 LYS 7 -2.327 7.077 7.811
63 H ALA 8 HN ALA 8 -5.295 3.606 4.714
64 HA ALA 8 HA ALA 8 -6.382 2.344 2.454
65 1HB ALA 8 HB1 ALA 8 -7.423 3.948 4.151
66 2HB ALA 8 HB2 ALA 8 -7.948 4.160 2.481
67 3HB ALA 8 HB3 ALA 8 -6.759 5.260 3.179
68 H CYS 9 HN CYS 9 -5.535 2.238 0.418
69 HA CYS 9 HA CYS 9 -4.275 4.706 -0.738
70 1HB CYS 9 HB2 CYS 9 -2.604 3.251 -1.756
71 2HB CYS 9 HB1 CYS 9 -2.658 2.914 -0.027
72 H ASN 10 HN ASN 10 -4.473 4.834 -3.113
73 HA ASN 10 HA ASN 10 -6.945 3.468 -4.104
74 1HB ASN 10 HB2 ASN 10 -5.507 6.053 -4.626
75 2HB ASN 10 HB1 ASN 10 -6.566 5.401 -5.874
76 1HD2 ASN 10 HD21 ASN 10 -6.609 7.506 -3.305
77 2HD2 ASN 10 HD22 ASN 10 -8.243 7.381 -2.865
78 HA PRO 11 HA PRO 11 -4.616 1.149 -7.048
79 1HB PRO 11 HB2 PRO 11 -6.418 0.992 -9.107
80 2HB PRO 11 HB1 PRO 11 -6.585 0.065 -7.602
81 1HG PRO 11 HG2 PRO 11 -7.940 2.586 -8.431
82 2HG PRO 11 HG1 PRO 11 -8.594 1.182 -7.570
83 1HD PRO 11 HD2 PRO 11 -7.899 3.494 -6.323
84 2HD PRO 11 HD1 PRO 11 -7.819 1.904 -5.534
85 H SER 12 HN SER 12 -6.127 4.187 -8.080
86 HA SER 12 HA SER 12 -4.364 4.479 -10.432
87 1HB SER 12 HB2 SER 12 -6.854 5.219 -10.048
88 2HB SER 12 HB1 SER 12 -6.134 6.595 -9.217
89 HG SER 12 HG SER 12 -5.961 7.366 -11.168
90 H ASN 13 HN ASN 13 -4.683 5.766 -7.135
91 HA ASN 13 HA ASN 13 -2.245 7.449 -7.549
92 1HB ASN 13 HB2 ASN 13 -4.515 7.439 -5.539
93 2HB ASN 13 HB1 ASN 13 -3.098 8.475 -5.373
94 1HD2 ASN 13 HD21 ASN 13 -2.901 10.298 -6.815
95 2HD2 ASN 13 HD22 ASN 13 -4.141 10.751 -7.882
96 H ASP 14 HN ASP 14 -0.901 5.443 -7.388
97 HA ASP 14 HA ASP 14 -0.867 3.972 -4.843
98 1HB ASP 14 HB2 ASP 14 0.478 3.925 -7.505
99 2HB ASP 14 HB1 ASP 14 1.362 3.204 -6.160
100 H GLN 15 HN GLN 15 0.057 4.907 -3.063
101 HA GLN 15 HA GLN 15 2.626 6.406 -3.418
102 1HB GLN 15 HB2 GLN 15 0.031 7.399 -2.694
103 2HB GLN 15 HB1 GLN 15 1.082 7.536 -1.286
104 1HG GLN 15 HG2 GLN 15 2.381 8.336 -3.801
105 2HG GLN 15 HG1 GLN 15 0.995 9.338 -3.370
106 1HE2 GLN 15 HE21 GLN 15 4.065 8.048 -1.997
107 2HE2 GLN 15 HE22 GLN 15 4.287 9.330 -0.906
108 H CYS 16 HN CYS 16 2.382 3.682 -2.610
109 HA CYS 16 HA CYS 16 2.408 3.490 0.314
110 1HB CYS 16 HB2 CYS 16 1.821 1.798 -1.672
111 2HB CYS 16 HB1 CYS 16 3.529 1.392 -1.497
112 H CYS 17 HN CYS 17 4.334 2.697 1.516
113 HA CYS 17 HA CYS 17 6.764 4.161 0.760
114 1HB CYS 17 HB2 CYS 17 5.512 3.297 3.095
115 2HB CYS 17 HB1 CYS 17 6.935 2.262 2.985
116 H LYS 18 HN LYS 18 8.258 3.289 -0.610
117 HA LYS 18 HA LYS 18 8.294 0.426 -1.249
118 1HB LYS 18 HB2 LYS 18 9.942 2.844 -2.040
119 2HB LYS 18 HB1 LYS 18 10.244 1.232 -2.688
120 1HG LYS 18 HG2 LYS 18 8.430 1.308 -4.048
121 2HG LYS 18 HG1 LYS 18 7.416 2.040 -2.803
122 1HD LYS 18 HD2 LYS 18 8.778 4.196 -3.232
123 2HD LYS 18 HD1 LYS 18 9.314 3.404 -4.713
124 1HE LYS 18 HE2 LYS 18 6.371 3.504 -4.067
125 2HE LYS 18 HE1 LYS 18 7.165 4.904 -4.814
126 1HZ LYS 18 HZ1 LYS 18 6.395 3.399 -6.525
127 2HZ LYS 18 HZ2 LYS 18 7.235 2.104 -5.817
128 3HZ LYS 18 HZ3 LYS 18 8.090 3.403 -6.501
129 H SER 19 HN SER 19 10.249 2.666 0.688
130 HA SER 19 HA SER 19 12.526 0.977 1.115
131 1HB SER 19 HB2 SER 19 12.279 3.447 1.559
132 2HB SER 19 HB1 SER 19 11.295 3.045 2.963
133 HG SER 19 HG SER 19 14.033 2.682 2.504
134 H SER 20 HN SER 20 9.332 1.073 2.628
135 HA SER 20 HA SER 20 10.162 -0.837 4.751
136 1HB SER 20 HB2 SER 20 7.651 0.727 4.101
137 2HB SER 20 HB1 SER 20 7.735 -0.426 5.430
138 HG SER 20 HG SER 20 8.277 1.933 5.787
139 H LYS 21 HN LYS 21 9.694 -1.383 1.652
140 HA LYS 21 HA LYS 21 8.843 -3.141 0.342
141 1HB LYS 21 HB2 LYS 21 9.031 -4.305 3.132
142 2HB LYS 21 HB1 LYS 21 8.578 -5.289 1.742
143 1HG LYS 21 HG2 LYS 21 10.939 -3.638 1.219
144 2HG LYS 21 HG1 LYS 21 11.177 -4.754 2.564
145 1HD LYS 21 HD2 LYS 21 9.808 -5.949 0.242
146 2HD LYS 21 HD1 LYS 21 11.461 -5.426 -0.084
147 1HE LYS 21 HE2 LYS 21 12.348 -6.804 1.670
148 2HE LYS 21 HE1 LYS 21 10.729 -7.124 2.323
149 1HZ LYS 21 HZ1 LYS 21 10.130 -8.172 0.223
150 2HZ LYS 21 HZ2 LYS 21 11.466 -8.955 0.921
151 3HZ LYS 21 HZ3 LYS 21 11.689 -7.893 -0.386
152 H LEU 22 HN LEU 22 6.883 -1.254 0.938
153 HA LEU 22 HA LEU 22 4.463 -2.914 1.588
154 1HB LEU 22 HB2 LEU 22 5.028 0.057 1.883
155 2HB LEU 22 HB1 LEU 22 3.478 -0.702 2.241
156 HG LEU 22 HG LEU 22 6.063 -1.570 3.553
157 1HD1 LEU 22 HD11 LEU 22 5.405 -0.207 5.475
158 2HD1 LEU 22 HD12 LEU 22 3.973 0.353 4.612
159 3HD1 LEU 22 HD13 LEU 22 5.578 0.819 4.051
160 1HD2 LEU 22 HD21 LEU 22 3.196 -1.879 4.479
161 2HD2 LEU 22 HD22 LEU 22 4.626 -2.705 5.098
162 3HD2 LEU 22 HD23 LEU 22 4.012 -3.092 3.492
163 H VAL 23 HN VAL 23 2.732 -2.837 0.109
164 HA VAL 23 HA VAL 23 2.994 -1.027 -2.257
165 HB VAL 23 HB VAL 23 2.419 -3.080 -3.670
166 1HG1 VAL 23 HG11 VAL 23 4.722 -2.047 -3.391
167 2HG1 VAL 23 HG12 VAL 23 4.718 -3.750 -3.848
168 3HG1 VAL 23 HG13 VAL 23 5.046 -3.287 -2.179
169 1HG2 VAL 23 HG21 VAL 23 2.795 -5.270 -2.733
170 2HG2 VAL 23 HG22 VAL 23 1.675 -4.442 -1.652
171 3HG2 VAL 23 HG23 VAL 23 3.378 -4.586 -1.216
172 H CYS 24 HN CYS 24 1.019 -0.253 -2.960
173 HA CYS 24 HA CYS 24 -1.325 -0.508 -1.335
174 1HB CYS 24 HB2 CYS 24 -0.792 1.415 -2.780
175 2HB CYS 24 HB1 CYS 24 -0.940 0.395 -4.209
176 H SER 25 HN SER 25 -2.694 -2.241 -1.234
177 HA SER 25 HA SER 25 -2.943 -4.011 -3.648
178 1HB SER 25 HB2 SER 25 -1.891 -4.693 -1.290
179 2HB SER 25 HB1 SER 25 -3.587 -4.907 -0.863
180 HG SER 25 HG SER 25 -1.971 -6.378 -2.524
181 H ARG 26 HN ARG 26 -4.953 -3.875 -4.569
182 HA ARG 26 HA ARG 26 -7.182 -2.497 -3.353
183 1HB ARG 26 HB2 ARG 26 -6.430 -3.645 -5.862
184 2HB ARG 26 HB1 ARG 26 -8.004 -4.312 -5.421
185 1HG ARG 26 HG2 ARG 26 -8.836 -2.008 -4.998
186 2HG ARG 26 HG1 ARG 26 -7.280 -1.370 -5.528
187 1HD ARG 26 HD2 ARG 26 -8.003 -1.445 -7.672
188 2HD ARG 26 HD1 ARG 26 -8.200 -3.203 -7.532
189 HE ARG 26 HE ARG 26 -10.329 -1.193 -7.149
190 1HH1 ARG 26 HH21 ARG 26 -10.495 -3.809 -8.728
191 2HH1 ARG 26 HH22 ARG 26 -11.503 -4.761 -7.689
192 1HH2 ARG 26 HH11 ARG 26 -11.080 -2.681 -4.934
193 2HH2 ARG 26 HH12 ARG 26 -11.835 -4.119 -5.534
194 H LYS 27 HN LYS 27 -6.112 -5.853 -3.369
195 HA LYS 27 HA LYS 27 -8.515 -7.194 -2.645
196 1HB LYS 27 HB2 LYS 27 -6.215 -8.098 -3.315
197 2HB LYS 27 HB1 LYS 27 -5.714 -7.796 -1.651
198 1HG LYS 27 HG2 LYS 27 -8.262 -9.273 -1.938
199 2HG LYS 27 HG1 LYS 27 -6.829 -10.136 -2.499
200 1HD LYS 27 HD2 LYS 27 -5.722 -9.637 -0.317
201 2HD LYS 27 HD1 LYS 27 -7.223 -8.897 0.240
202 1HE LYS 27 HE2 LYS 27 -8.347 -11.150 -0.378
203 2HE LYS 27 HE1 LYS 27 -6.696 -11.802 -0.404
204 1HZ LYS 27 HZ1 LYS 27 -7.927 -10.288 1.841
205 2HZ LYS 27 HZ2 LYS 27 -6.335 -10.880 1.806
206 3HZ LYS 27 HZ3 LYS 27 -7.646 -11.960 1.817
207 H THR 28 HN THR 28 -5.978 -5.743 -0.551
208 HA THR 28 HA THR 28 -7.707 -6.117 1.836
209 HB THR 28 HB THR 28 -5.632 -5.211 2.971
210 HG1 THR 28 HG1 THR 28 -3.861 -4.830 1.749
211 1HG2 THR 28 HG21 THR 28 -6.152 -7.687 2.352
212 2HG2 THR 28 HG22 THR 28 -4.518 -7.266 2.861
213 3HG2 THR 28 HG23 THR 28 -4.879 -7.479 1.148
214 H ARG 29 HN ARG 29 -7.394 -3.809 -0.578
215 HA ARG 29 HA ARG 29 -8.213 -1.623 -0.788
216 1HB ARG 29 HB2 ARG 29 -9.611 -2.892 1.345
217 2HB ARG 29 HB1 ARG 29 -9.295 -1.227 1.836
218 1HG ARG 29 HG2 ARG 29 -10.158 -0.510 -0.441
219 2HG ARG 29 HG1 ARG 29 -10.694 -2.174 -0.674
220 1HD ARG 29 HD2 ARG 29 -12.496 -1.877 0.679
221 2HD ARG 29 HD1 ARG 29 -11.517 -1.073 1.923
222 HE ARG 29 HE ARG 29 -12.623 0.292 -0.498
223 1HH1 ARG 29 HH11 ARG 29 -10.090 1.393 0.868
224 2HH1 ARG 29 HH12 ARG 29 -10.781 2.604 1.896
225 1HH2 ARG 29 HH21 ARG 29 -14.022 1.382 1.600
226 2HH2 ARG 29 HH22 ARG 29 -13.013 2.598 2.311
227 H TRP 30 HN TRP 30 -5.550 -2.329 0.804
228 HA TRP 30 HA TRP 30 -4.864 0.474 1.282
229 1HB TRP 30 HB2 TRP 30 -4.317 0.113 3.695
230 2HB TRP 30 HB1 TRP 30 -6.035 -0.043 3.357
231 HD1 TRP 30 HD1 TRP 30 -3.144 -2.632 3.105
232 HE1 TRP 30 HE1 TRP 30 -3.844 -4.727 4.427
233 HE3 TRP 30 HE3 TRP 30 -7.669 -1.077 4.882
234 HZ2 TRP 30 HZ2 TRP 30 -6.034 -5.627 6.030
235 HZ3 TRP 30 HZ3 TRP 30 -9.040 -2.571 6.304
236 HH2 TRP 30 HH2 TRP 30 -8.229 -4.842 6.880
237 H CYS 31 HN CYS 31 -2.515 0.432 2.448
238 HA CYS 31 HA CYS 31 -0.740 -0.915 0.629
239 1HB CYS 31 HB2 CYS 31 -0.603 0.787 3.061
240 2HB CYS 31 HB1 CYS 31 0.830 -0.183 2.722
241 H LYS 32 HN LYS 32 0.090 -2.960 0.735
242 HA LYS 32 HA LYS 32 -0.090 -4.447 3.339
243 1HB LYS 32 HB2 LYS 32 -1.852 -4.989 1.605
244 2HB LYS 32 HB1 LYS 32 -0.555 -5.527 0.540
245 1HG LYS 32 HG2 LYS 32 0.053 -7.303 2.004
246 2HG LYS 32 HG1 LYS 32 -0.901 -6.636 3.330
247 1HD LYS 32 HD2 LYS 32 -2.701 -7.797 2.648
248 2HD LYS 32 HD1 LYS 32 -2.626 -7.017 1.069
249 1HE LYS 32 HE2 LYS 32 -2.286 -9.206 0.388
250 2HE LYS 32 HE1 LYS 32 -0.603 -8.796 0.772
251 1HZ LYS 32 HZ1 LYS 32 -2.565 -9.969 2.676
252 2HZ LYS 32 HZ2 LYS 32 -0.948 -9.581 3.026
253 3HZ LYS 32 HZ3 LYS 32 -1.308 -10.820 1.921
254 H TYR 33 HN TYR 33 1.688 -5.814 3.775
255 HA TYR 33 HA TYR 33 4.233 -5.173 2.689
256 1HB TYR 33 HB2 TYR 33 4.993 -7.072 4.012
257 2HB TYR 33 HB1 TYR 33 3.706 -6.261 4.899
258 HD1 TYR 33 HD1 TYR 33 4.643 -9.274 2.994
259 HD2 TYR 33 HD2 TYR 33 1.486 -7.291 5.135
260 HE1 TYR 33 HE1 TYR 33 3.359 -11.394 3.070
261 HE2 TYR 33 HE2 TYR 33 0.204 -9.411 5.206
262 HH TYR 33 HH TYR 33 0.342 -11.703 3.470
263 H GLN 34 HN GLN 34 5.459 -6.091 1.026
264 HA GLN 34 HA GLN 34 4.004 -7.559 -1.042
265 1HB GLN 34 HB2 GLN 34 6.021 -5.759 -1.023
266 2HB GLN 34 HB1 GLN 34 6.966 -7.246 -1.128
267 1HG GLN 34 HG2 GLN 34 4.826 -7.588 -2.928
268 2HG GLN 34 HG1 GLN 34 5.395 -5.938 -3.182
269 1HE2 GLN 34 HE21 GLN 34 6.235 -9.331 -3.556
270 2HE2 GLN 34 HE22 GLN 34 7.720 -9.071 -4.335
271 H ILE 35 HN ILE 35 3.869 -9.748 -1.168
272 HA ILE 35 HA ILE 35 5.330 -11.471 0.693
273 HB ILE 35 HB ILE 35 2.936 -11.738 -0.065
274 1HG1 ILE 35 HG12 ILE 35 4.586 -14.152 -0.836
275 2HG1 ILE 35 HG11 ILE 35 4.455 -13.614 0.837
276 1HG2 ILE 35 HG21 ILE 35 3.702 -11.225 -2.533
277 2HG2 ILE 35 HG22 ILE 35 2.381 -12.356 -2.247
278 3HG2 ILE 35 HG23 ILE 35 3.999 -12.962 -2.596
279 1HD1 ILE 35 HD11 ILE 35 1.907 -13.668 0.481
280 2HD1 ILE 35 HD12 ILE 35 2.728 -15.226 0.585
281 3HD1 ILE 35 HD13 ILE 35 2.251 -14.584 -0.987
Start of MODEL 2
1 1H GLU 1 HT1 GLU 1 4.494 12.026 6.409
2 2H GLU 1 HT2 GLU 1 2.987 11.504 5.822
3 3H GLU 1 HT3 GLU 1 4.373 11.370 4.849
4 HA GLU 1 HA GLU 1 5.328 9.781 6.484
5 1HB GLU 1 HB2 GLU 1 2.603 10.361 7.671
6 2HB GLU 1 HB1 GLU 1 3.518 8.917 8.105
7 1HG GLU 1 HG2 GLU 1 5.424 10.881 8.366
8 2HG GLU 1 HG1 GLU 1 3.966 11.726 8.883
9 H CYS 2 HN CYS 2 5.322 7.811 5.444
10 HA CYS 2 HA CYS 2 3.260 7.215 3.448
11 1HB CYS 2 HB2 CYS 2 4.730 5.311 2.963
12 2HB CYS 2 HB1 CYS 2 5.691 6.776 3.148
13 H LEU 3 HN LEU 3 2.441 4.807 3.447
14 HA LEU 3 HA LEU 3 1.278 4.250 6.150
15 1HB LEU 3 HB2 LEU 3 0.381 3.474 3.353
16 2HB LEU 3 HB1 LEU 3 -0.522 3.179 4.836
17 HG LEU 3 HG LEU 3 0.311 5.958 3.978
18 1HD1 LEU 3 HD11 LEU 3 -2.349 4.596 3.476
19 2HD1 LEU 3 HD12 LEU 3 -1.123 4.871 2.239
20 3HD1 LEU 3 HD13 LEU 3 -1.907 6.242 3.024
21 1HD2 LEU 3 HD21 LEU 3 -1.607 4.777 5.996
22 2HD2 LEU 3 HD22 LEU 3 -1.758 6.448 5.451
23 3HD2 LEU 3 HD23 LEU 3 -0.293 5.918 6.278
24 H GLU 4 HN GLU 4 1.875 2.366 7.147
25 HA GLU 4 HA GLU 4 3.841 0.585 5.993
26 1HB GLU 4 HB2 GLU 4 2.746 1.210 8.506
27 2HB GLU 4 HB1 GLU 4 2.336 -0.486 8.247
28 1HG GLU 4 HG2 GLU 4 4.845 -0.667 7.460
29 2HG GLU 4 HG1 GLU 4 5.042 0.803 8.413
30 H ILE 5 HN ILE 5 3.208 -1.958 6.321
31 HA ILE 5 HA ILE 5 1.392 -2.611 4.191
32 HB ILE 5 HB ILE 5 3.450 -3.813 5.404
33 1HG1 ILE 5 HG12 ILE 5 2.087 -4.432 3.283
34 2HG1 ILE 5 HG11 ILE 5 2.995 -5.709 4.086
35 1HG2 ILE 5 HG21 ILE 5 2.284 -4.170 7.532
36 2HG2 ILE 5 HG22 ILE 5 2.671 -5.716 6.778
37 3HG2 ILE 5 HG23 ILE 5 1.026 -5.087 6.706
38 1HD1 ILE 5 HD11 ILE 5 0.275 -5.761 3.468
39 2HD1 ILE 5 HD12 ILE 5 0.313 -5.433 5.198
40 3HD1 ILE 5 HD13 ILE 5 1.114 -6.864 4.557
41 H PHE 6 HN PHE 6 -0.658 -3.731 4.338
42 HA PHE 6 HA PHE 6 -2.835 -4.078 5.162
43 1HB PHE 6 HB2 PHE 6 -1.067 -4.350 7.592
44 2HB PHE 6 HB1 PHE 6 -2.814 -4.499 7.742
45 HD1 PHE 6 HD1 PHE 6 -3.725 -5.916 5.441
46 HD2 PHE 6 HD2 PHE 6 -0.055 -6.443 7.610
47 HE1 PHE 6 HE1 PHE 6 -3.593 -8.262 4.650
48 HE2 PHE 6 HE2 PHE 6 0.078 -8.787 6.817
49 HZ PHE 6 HZ PHE 6 -1.691 -9.698 5.337
50 H LYS 7 HN LYS 7 -1.868 -1.301 4.857
51 HA LYS 7 HA LYS 7 -3.510 0.041 6.986
52 1HB LYS 7 HB2 LYS 7 -1.040 0.877 5.443
53 2HB LYS 7 HB1 LYS 7 -2.002 2.022 6.376
54 1HG LYS 7 HG2 LYS 7 -1.030 -0.526 7.652
55 2HG LYS 7 HG1 LYS 7 0.041 0.870 7.526
56 1HD LYS 7 HD2 LYS 7 -2.539 1.743 8.454
57 2HD LYS 7 HD1 LYS 7 -1.977 0.413 9.467
58 1HE LYS 7 HE2 LYS 7 0.284 1.671 9.552
59 2HE LYS 7 HE1 LYS 7 -0.628 3.068 8.948
60 1HZ LYS 7 HZ1 LYS 7 -1.325 1.445 11.342
61 2HZ LYS 7 HZ2 LYS 7 -2.218 2.765 10.749
62 3HZ LYS 7 HZ3 LYS 7 -0.655 3.003 11.370
63 H ALA 8 HN ALA 8 -5.253 1.204 6.248
64 HA ALA 8 HA ALA 8 -6.376 1.009 3.703
65 1HB ALA 8 HB1 ALA 8 -6.914 2.281 6.115
66 2HB ALA 8 HB2 ALA 8 -7.957 2.303 4.694
67 3HB ALA 8 HB3 ALA 8 -6.816 3.619 4.969
68 H CYS 9 HN CYS 9 -5.612 1.663 1.744
69 HA CYS 9 HA CYS 9 -4.096 4.248 1.572
70 1HB CYS 9 HB2 CYS 9 -2.555 2.359 1.502
71 2HB CYS 9 HB1 CYS 9 -3.538 1.559 0.276
72 H ASN 10 HN ASN 10 -4.493 5.453 -0.335
73 HA ASN 10 HA ASN 10 -6.884 4.596 -1.911
74 1HB ASN 10 HB2 ASN 10 -5.700 7.120 -0.913
75 2HB ASN 10 HB1 ASN 10 -6.392 7.216 -2.532
76 1HD2 ASN 10 HD21 ASN 10 -8.719 6.829 -2.762
77 2HD2 ASN 10 HD22 ASN 10 -9.748 6.840 -1.412
78 HA PRO 11 HA PRO 11 -4.243 3.983 -5.422
79 1HB PRO 11 HB2 PRO 11 -6.164 4.042 -7.376
80 2HB PRO 11 HB1 PRO 11 -5.930 2.658 -6.288
81 1HG PRO 11 HG2 PRO 11 -7.964 4.826 -6.181
82 2HG PRO 11 HG1 PRO 11 -8.132 3.101 -5.822
83 1HD PRO 11 HD2 PRO 11 -7.899 5.033 -3.906
84 2HD PRO 11 HD1 PRO 11 -7.395 3.346 -3.671
85 H SER 12 HN SER 12 -6.656 6.614 -5.433
86 HA SER 12 HA SER 12 -5.593 8.167 -7.591
87 1HB SER 12 HB2 SER 12 -7.673 8.284 -5.721
88 2HB SER 12 HB1 SER 12 -6.693 9.700 -5.355
89 HG SER 12 HG SER 12 -8.130 9.040 -7.656
90 H ASN 13 HN ASN 13 -4.823 8.085 -4.109
91 HA ASN 13 HA ASN 13 -2.394 9.757 -4.674
92 1HB ASN 13 HB2 ASN 13 -4.509 9.875 -2.540
93 2HB ASN 13 HB1 ASN 13 -2.874 10.405 -2.147
94 1HD2 ASN 13 HD21 ASN 13 -5.818 11.459 -3.478
95 2HD2 ASN 13 HD22 ASN 13 -5.248 12.856 -4.256
96 H ASP 14 HN ASP 14 -1.452 7.506 -4.969
97 HA ASP 14 HA ASP 14 -1.294 5.491 -3.020
98 1HB ASP 14 HB2 ASP 14 0.848 4.926 -4.150
99 2HB ASP 14 HB1 ASP 14 -0.414 5.335 -5.310
100 H GLN 15 HN GLN 15 -0.432 5.436 -0.977
101 HA GLN 15 HA GLN 15 1.698 7.420 -0.277
102 1HB GLN 15 HB2 GLN 15 -1.066 7.207 0.619
103 2HB GLN 15 HB1 GLN 15 0.054 7.103 1.977
104 1HG GLN 15 HG2 GLN 15 0.802 9.182 0.052
105 2HG GLN 15 HG1 GLN 15 -0.788 9.450 0.767
106 1HE2 GLN 15 HE21 GLN 15 2.570 9.815 1.332
107 2HE2 GLN 15 HE22 GLN 15 2.492 10.126 2.999
108 H CYS 16 HN CYS 16 1.606 4.357 -0.764
109 HA CYS 16 HA CYS 16 2.024 3.127 1.844
110 1HB CYS 16 HB2 CYS 16 2.654 2.318 -1.013
111 2HB CYS 16 HB1 CYS 16 2.901 1.254 0.371
112 H CYS 17 HN CYS 17 4.114 2.318 2.626
113 HA CYS 17 HA CYS 17 6.260 4.257 2.386
114 1HB CYS 17 HB2 CYS 17 6.095 1.501 3.653
115 2HB CYS 17 HB1 CYS 17 7.400 2.656 3.927
116 H LYS 18 HN LYS 18 7.231 4.297 0.345
117 HA LYS 18 HA LYS 18 7.753 2.003 -1.305
118 1HB LYS 18 HB2 LYS 18 7.673 4.338 -2.097
119 2HB LYS 18 HB1 LYS 18 9.098 4.723 -1.132
120 1HG LYS 18 HG2 LYS 18 10.504 3.834 -2.664
121 2HG LYS 18 HG1 LYS 18 9.503 2.396 -2.864
122 1HD LYS 18 HD2 LYS 18 7.928 4.264 -4.064
123 2HD LYS 18 HD1 LYS 18 9.530 4.907 -4.430
124 1HE LYS 18 HE2 LYS 18 10.014 2.339 -5.032
125 2HE LYS 18 HE1 LYS 18 8.266 2.352 -5.335
126 1HZ LYS 18 HZ1 LYS 18 9.501 3.056 -7.300
127 2HZ LYS 18 HZ2 LYS 18 10.222 4.315 -6.416
128 3HZ LYS 18 HZ3 LYS 18 8.546 4.323 -6.700
129 H SER 19 HN SER 19 9.566 3.535 1.323
130 HA SER 19 HA SER 19 12.122 2.334 0.899
131 1HB SER 19 HB2 SER 19 12.404 2.858 3.317
132 2HB SER 19 HB1 SER 19 11.662 4.195 2.445
133 HG SER 19 HG SER 19 9.896 3.919 3.562
134 H SER 20 HN SER 20 9.167 1.114 2.454
135 HA SER 20 HA SER 20 10.535 -1.413 3.236
136 1HB SER 20 HB2 SER 20 8.095 0.108 3.962
137 2HB SER 20 HB1 SER 20 7.929 -1.644 4.006
138 HG SER 20 HG SER 20 9.301 -1.739 5.626
139 H LYS 21 HN LYS 21 9.711 -0.519 0.357
140 HA LYS 21 HA LYS 21 8.849 -1.553 -1.575
141 1HB LYS 21 HB2 LYS 21 10.114 -3.442 0.129
142 2HB LYS 21 HB1 LYS 21 8.680 -4.236 -0.521
143 1HG LYS 21 HG2 LYS 21 10.582 -4.583 -2.029
144 2HG LYS 21 HG1 LYS 21 9.371 -3.568 -2.812
145 1HD LYS 21 HD2 LYS 21 10.869 -1.908 -3.057
146 2HD LYS 21 HD1 LYS 21 11.174 -1.892 -1.320
147 1HE LYS 21 HE2 LYS 21 12.926 -3.500 -1.502
148 2HE LYS 21 HE1 LYS 21 12.451 -3.940 -3.155
149 1HZ LYS 21 HZ1 LYS 21 14.326 -2.378 -3.135
150 2HZ LYS 21 HZ2 LYS 21 13.375 -1.243 -2.301
151 3HZ LYS 21 HZ3 LYS 21 12.960 -1.706 -3.884
152 H LEU 22 HN LEU 22 6.832 -0.403 0.015
153 HA LEU 22 HA LEU 22 4.636 -2.443 0.007
154 1HB LEU 22 HB2 LEU 22 5.115 0.185 1.432
155 2HB LEU 22 HB1 LEU 22 3.524 -0.575 1.404
156 HG LEU 22 HG LEU 22 6.001 -2.070 2.285
157 1HD1 LEU 22 HD11 LEU 22 4.413 -0.027 3.708
158 2HD1 LEU 22 HD12 LEU 22 6.033 -0.634 4.050
159 3HD1 LEU 22 HD13 LEU 22 4.621 -1.540 4.591
160 1HD2 LEU 22 HD21 LEU 22 3.071 -2.489 2.941
161 2HD2 LEU 22 HD22 LEU 22 4.407 -3.593 3.269
162 3HD2 LEU 22 HD23 LEU 22 3.894 -3.300 1.608
163 H VAL 23 HN VAL 23 2.867 -2.111 -1.361
164 HA VAL 23 HA VAL 23 2.843 0.420 -2.976
165 HB VAL 23 HB VAL 23 2.130 -1.094 -4.889
166 1HG1 VAL 23 HG11 VAL 23 4.437 -0.241 -4.669
167 2HG1 VAL 23 HG12 VAL 23 4.422 -1.867 -5.354
168 3HG1 VAL 23 HG13 VAL 23 4.852 -1.627 -3.660
169 1HG2 VAL 23 HG21 VAL 23 1.555 -2.989 -3.193
170 2HG2 VAL 23 HG22 VAL 23 3.281 -3.347 -3.244
171 3HG2 VAL 23 HG23 VAL 23 2.317 -3.439 -4.718
172 H CYS 24 HN CYS 24 0.780 1.218 -3.488
173 HA CYS 24 HA CYS 24 -1.394 0.521 -1.719
174 1HB CYS 24 HB2 CYS 24 -0.715 2.724 -3.005
175 2HB CYS 24 HB1 CYS 24 -1.717 2.050 -4.291
176 H SER 25 HN SER 25 -2.472 -1.407 -1.964
177 HA SER 25 HA SER 25 -3.009 -2.403 -4.738
178 1HB SER 25 HB2 SER 25 -2.814 -3.700 -2.010
179 2HB SER 25 HB1 SER 25 -3.415 -4.561 -3.424
180 HG SER 25 HG SER 25 -1.294 -4.951 -3.496
181 H ARG 26 HN ARG 26 -5.035 -1.829 -5.412
182 HA ARG 26 HA ARG 26 -7.202 -1.042 -3.689
183 1HB ARG 26 HB2 ARG 26 -6.809 -0.433 -6.107
184 2HB ARG 26 HB1 ARG 26 -7.275 -2.077 -6.544
185 1HG ARG 26 HG2 ARG 26 -9.260 -1.000 -4.769
186 2HG ARG 26 HG1 ARG 26 -8.983 0.151 -6.076
187 1HD ARG 26 HD2 ARG 26 -9.027 -2.306 -7.392
188 2HD ARG 26 HD1 ARG 26 -10.308 -2.456 -6.173
189 HE ARG 26 HE ARG 26 -10.136 -0.088 -8.004
190 1HH1 ARG 26 HH11 ARG 26 -12.083 -0.429 -5.600
191 2HH1 ARG 26 HH12 ARG 26 -13.536 -0.848 -6.444
192 1HH2 ARG 26 HH21 ARG 26 -11.911 -1.555 -9.432
193 2HH2 ARG 26 HH22 ARG 26 -13.438 -1.486 -8.618
194 H LYS 27 HN LYS 27 -6.275 -4.146 -5.141
195 HA LYS 27 HA LYS 27 -8.676 -5.619 -4.703
196 1HB LYS 27 HB2 LYS 27 -6.395 -6.115 -5.935
197 2HB LYS 27 HB1 LYS 27 -5.932 -6.810 -4.382
198 1HG LYS 27 HG2 LYS 27 -8.595 -7.580 -5.490
199 2HG LYS 27 HG1 LYS 27 -7.165 -8.265 -6.261
200 1HD LYS 27 HD2 LYS 27 -6.689 -8.470 -3.492
201 2HD LYS 27 HD1 LYS 27 -8.368 -8.960 -3.719
202 1HE LYS 27 HE2 LYS 27 -7.502 -10.991 -4.298
203 2HE LYS 27 HE1 LYS 27 -7.069 -10.215 -5.833
204 1HZ LYS 27 HZ1 LYS 27 -4.986 -9.484 -4.838
205 2HZ LYS 27 HZ2 LYS 27 -5.116 -11.177 -4.769
206 3HZ LYS 27 HZ3 LYS 27 -5.391 -10.244 -3.376
207 H THR 28 HN THR 28 -5.836 -5.131 -2.581
208 HA THR 28 HA THR 28 -7.119 -6.627 -0.378
209 HB THR 28 HB THR 28 -4.841 -5.499 0.636
210 HG1 THR 28 HG1 THR 28 -4.062 -6.101 -1.972
211 1HG2 THR 28 HG21 THR 28 -4.493 -7.878 -1.128
212 2HG2 THR 28 HG22 THR 28 -5.686 -7.980 0.168
213 3HG2 THR 28 HG23 THR 28 -3.999 -7.637 0.549
214 H ARG 29 HN ARG 29 -7.036 -3.377 -1.505
215 HA ARG 29 HA ARG 29 -8.046 -1.435 -0.640
216 1HB ARG 29 HB2 ARG 29 -9.510 -3.404 0.370
217 2HB ARG 29 HB1 ARG 29 -8.749 -2.903 1.880
218 1HG ARG 29 HG2 ARG 29 -10.510 -1.441 1.939
219 2HG ARG 29 HG1 ARG 29 -9.452 -0.478 0.908
220 1HD ARG 29 HD2 ARG 29 -10.531 -1.642 -1.092
221 2HD ARG 29 HD1 ARG 29 -11.736 -2.277 0.046
222 HE ARG 29 HE ARG 29 -11.244 0.642 -0.413
223 1HH1 ARG 29 HH11 ARG 29 -12.528 -0.223 2.210
224 2HH1 ARG 29 HH12 ARG 29 -14.211 -0.071 1.832
225 1HH2 ARG 29 HH21 ARG 29 -13.698 0.067 -1.603
226 2HH2 ARG 29 HH22 ARG 29 -14.875 0.094 -0.333
227 H TRP 30 HN TRP 30 -5.220 -2.573 0.253
228 HA TRP 30 HA TRP 30 -4.600 -0.272 1.952
229 1HB TRP 30 HB2 TRP 30 -3.741 -1.714 3.831
230 2HB TRP 30 HB1 TRP 30 -5.488 -1.754 3.645
231 HD1 TRP 30 HD1 TRP 30 -2.584 -3.801 2.057
232 HE1 TRP 30 HE1 TRP 30 -3.212 -6.295 2.201
233 HE3 TRP 30 HE3 TRP 30 -7.100 -3.436 4.406
234 HZ2 TRP 30 HZ2 TRP 30 -5.351 -7.923 3.181
235 HZ3 TRP 30 HZ3 TRP 30 -8.410 -5.471 4.934
236 HH2 TRP 30 HH2 TRP 30 -7.543 -7.712 4.326
237 H CYS 31 HN CYS 31 -2.154 -0.523 2.708
238 HA CYS 31 HA CYS 31 -0.547 -0.846 0.334
239 1HB CYS 31 HB2 CYS 31 0.022 -0.515 3.287
240 2HB CYS 31 HB1 CYS 31 1.315 -0.592 2.092
241 H LYS 32 HN LYS 32 0.386 -2.697 -0.458
242 HA LYS 32 HA LYS 32 0.543 -5.086 1.355
243 1HB LYS 32 HB2 LYS 32 -1.183 -5.251 -0.387
244 2HB LYS 32 HB1 LYS 32 0.010 -4.863 -1.627
245 1HG LYS 32 HG2 LYS 32 1.061 -6.931 -1.461
246 2HG LYS 32 HG1 LYS 32 0.529 -7.184 0.202
247 1HD LYS 32 HD2 LYS 32 -1.817 -7.433 -0.642
248 2HD LYS 32 HD1 LYS 32 -1.194 -7.331 -2.289
249 1HE LYS 32 HE2 LYS 32 0.424 -9.271 -1.452
250 2HE LYS 32 HE1 LYS 32 -0.885 -9.542 -0.285
251 1HZ LYS 32 HZ1 LYS 32 -1.365 -10.769 -2.281
252 2HZ LYS 32 HZ2 LYS 32 -1.148 -9.386 -3.245
253 3HZ LYS 32 HZ3 LYS 32 -2.461 -9.478 -2.168
254 H TYR 33 HN TYR 33 2.511 -6.172 1.399
255 HA TYR 33 HA TYR 33 4.915 -4.882 0.600
256 1HB TYR 33 HB2 TYR 33 5.953 -7.028 1.225
257 2HB TYR 33 HB1 TYR 33 4.686 -6.606 2.373
258 HD1 TYR 33 HD1 TYR 33 2.665 -7.922 2.560
259 HD2 TYR 33 HD2 TYR 33 5.567 -8.795 -0.487
260 HE1 TYR 33 HE1 TYR 33 1.530 -10.075 2.094
261 HE2 TYR 33 HE2 TYR 33 4.429 -10.947 -0.953
262 HH TYR 33 HH TYR 33 2.489 -12.457 0.997
263 H GLN 34 HN GLN 34 6.321 -5.230 -1.168
264 HA GLN 34 HA GLN 34 5.081 -5.929 -3.697
265 1HB GLN 34 HB2 GLN 34 6.755 -4.207 -3.593
266 2HB GLN 34 HB1 GLN 34 7.892 -5.271 -2.768
267 1HG GLN 34 HG2 GLN 34 8.552 -5.083 -5.102
268 2HG GLN 34 HG1 GLN 34 7.951 -6.715 -4.817
269 1HE2 GLN 34 HE21 GLN 34 7.449 -6.816 -7.189
270 2HE2 GLN 34 HE22 GLN 34 6.049 -6.059 -7.780
271 H ILE 35 HN ILE 35 5.319 -7.822 -4.897
272 HA ILE 35 HA ILE 35 6.958 -10.023 -3.687
273 HB ILE 35 HB ILE 35 4.521 -10.198 -3.190
274 1HG1 ILE 35 HG12 ILE 35 5.207 -12.323 -5.217
275 2HG1 ILE 35 HG11 ILE 35 6.105 -12.197 -3.704
276 1HG2 ILE 35 HG21 ILE 35 4.128 -9.173 -5.686
277 2HG2 ILE 35 HG22 ILE 35 2.892 -10.039 -4.775
278 3HG2 ILE 35 HG23 ILE 35 3.850 -10.887 -5.989
279 1HD1 ILE 35 HD11 ILE 35 3.135 -12.127 -3.503
280 2HD1 ILE 35 HD12 ILE 35 4.319 -12.868 -2.426
281 3HD1 ILE 35 HD13 ILE 35 3.866 -13.675 -3.928
Start of MODEL 3
1 1H GLU 1 HT1 GLU 1 3.840 12.484 0.299
2 2H GLU 1 HT2 GLU 1 5.217 12.180 -0.646
3 3H GLU 1 HT3 GLU 1 5.306 13.262 0.658
4 HA GLU 1 HA GLU 1 6.316 11.084 1.185
5 1HB GLU 1 HB2 GLU 1 5.423 12.582 2.901
6 2HB GLU 1 HB1 GLU 1 3.796 11.959 2.632
7 1HG GLU 1 HG2 GLU 1 4.764 10.900 4.617
8 2HG GLU 1 HG1 GLU 1 4.572 9.700 3.341
9 H CYS 2 HN CYS 2 6.192 8.995 0.493
10 HA CYS 2 HA CYS 2 3.740 7.842 -0.585
11 1HB CYS 2 HB2 CYS 2 5.197 5.966 -1.062
12 2HB CYS 2 HB1 CYS 2 6.121 7.439 -1.347
13 H LEU 3 HN LEU 3 2.800 5.794 0.269
14 HA LEU 3 HA LEU 3 2.577 5.869 3.225
15 1HB LEU 3 HB2 LEU 3 1.116 4.466 0.969
16 2HB LEU 3 HB1 LEU 3 0.753 4.152 2.664
17 HG LEU 3 HG LEU 3 0.739 6.942 1.493
18 1HD1 LEU 3 HD11 LEU 3 -0.913 5.397 0.356
19 2HD1 LEU 3 HD12 LEU 3 -1.649 6.752 1.213
20 3HD1 LEU 3 HD13 LEU 3 -1.660 5.142 1.933
21 1HD2 LEU 3 HD21 LEU 3 -0.646 5.792 3.934
22 2HD2 LEU 3 HD22 LEU 3 -0.481 7.494 3.502
23 3HD2 LEU 3 HD23 LEU 3 0.937 6.569 3.996
24 H GLU 4 HN GLU 4 3.947 4.582 4.388
25 HA GLU 4 HA GLU 4 5.498 2.441 3.170
26 1HB GLU 4 HB2 GLU 4 5.143 3.739 5.839
27 2HB GLU 4 HB1 GLU 4 5.896 2.145 5.810
28 1HG GLU 4 HG2 GLU 4 7.810 3.317 5.411
29 2HG GLU 4 HG1 GLU 4 7.210 3.366 3.753
30 H ILE 5 HN ILE 5 5.508 0.315 4.763
31 HA ILE 5 HA ILE 5 3.164 -1.177 4.124
32 HB ILE 5 HB ILE 5 5.468 -2.034 4.578
33 1HG1 ILE 5 HG12 ILE 5 4.709 -3.993 6.023
34 2HG1 ILE 5 HG11 ILE 5 3.166 -3.158 6.193
35 1HG2 ILE 5 HG21 ILE 5 6.152 -2.346 6.943
36 2HG2 ILE 5 HG22 ILE 5 4.733 -1.439 7.463
37 3HG2 ILE 5 HG23 ILE 5 5.997 -0.639 6.529
38 1HD1 ILE 5 HD11 ILE 5 3.982 -4.830 4.065
39 2HD1 ILE 5 HD12 ILE 5 3.955 -3.190 3.417
40 3HD1 ILE 5 HD13 ILE 5 2.508 -3.868 4.162
41 H PHE 6 HN PHE 6 1.478 -1.981 5.506
42 HA PHE 6 HA PHE 6 -0.184 -1.807 7.162
43 1HB PHE 6 HB2 PHE 6 2.310 -0.946 8.658
44 2HB PHE 6 HB1 PHE 6 0.764 -1.240 9.451
45 HD1 PHE 6 HD1 PHE 6 3.806 -2.724 8.764
46 HD2 PHE 6 HD2 PHE 6 -0.401 -3.556 8.491
47 HE1 PHE 6 HE1 PHE 6 4.283 -5.157 8.803
48 HE2 PHE 6 HE2 PHE 6 0.078 -5.989 8.530
49 HZ PHE 6 HZ PHE 6 2.420 -6.789 8.687
50 H LYS 7 HN LYS 7 0.205 0.497 5.376
51 HA LYS 7 HA LYS 7 -0.597 2.744 7.201
52 1HB LYS 7 HB2 LYS 7 0.860 2.568 4.564
53 2HB LYS 7 HB1 LYS 7 0.089 4.072 5.062
54 1HG LYS 7 HG2 LYS 7 1.582 2.999 7.278
55 2HG LYS 7 HG1 LYS 7 2.627 3.090 5.860
56 1HD LYS 7 HD2 LYS 7 2.819 5.309 6.164
57 2HD LYS 7 HD1 LYS 7 1.083 5.478 5.906
58 1HE LYS 7 HE2 LYS 7 1.859 4.484 8.595
59 2HE LYS 7 HE1 LYS 7 2.303 6.165 8.243
60 1HZ LYS 7 HZ1 LYS 7 -0.388 4.963 7.834
61 2HZ LYS 7 HZ2 LYS 7 0.043 6.567 7.474
62 3HZ LYS 7 HZ3 LYS 7 0.033 6.028 9.085
63 H ALA 8 HN ALA 8 -2.777 3.123 7.116
64 HA ALA 8 HA ALA 8 -4.663 1.933 5.419
65 1HB ALA 8 HB1 ALA 8 -4.592 4.584 6.878
66 2HB ALA 8 HB2 ALA 8 -5.340 3.077 7.407
67 3HB ALA 8 HB3 ALA 8 -6.049 3.993 6.077
68 H CYS 9 HN CYS 9 -4.971 2.110 3.243
69 HA CYS 9 HA CYS 9 -4.392 4.731 1.913
70 1HB CYS 9 HB2 CYS 9 -2.483 3.191 1.669
71 2HB CYS 9 HB1 CYS 9 -3.557 1.948 1.029
72 H ASN 10 HN ASN 10 -5.657 5.104 0.004
73 HA ASN 10 HA ASN 10 -8.227 3.651 -0.039
74 1HB ASN 10 HB2 ASN 10 -7.075 6.149 -1.283
75 2HB ASN 10 HB1 ASN 10 -8.631 5.513 -1.818
76 1HD2 ASN 10 HD21 ASN 10 -10.299 6.588 -0.761
77 2HD2 ASN 10 HD22 ASN 10 -10.275 7.067 0.868
78 HA PRO 11 HA PRO 11 -7.138 1.123 -3.480
79 1HB PRO 11 HB2 PRO 11 -9.650 0.572 -4.420
80 2HB PRO 11 HB1 PRO 11 -8.985 -0.158 -2.945
81 1HG PRO 11 HG2 PRO 11 -10.896 2.101 -3.239
82 2HG PRO 11 HG1 PRO 11 -10.858 0.802 -2.037
83 1HD PRO 11 HD2 PRO 11 -9.985 3.346 -1.555
84 2HD PRO 11 HD1 PRO 11 -9.380 1.913 -0.696
85 H SER 12 HN SER 12 -9.237 3.943 -3.909
86 HA SER 12 HA SER 12 -9.062 3.980 -6.824
87 1HB SER 12 HB2 SER 12 -9.954 5.916 -4.674
88 2HB SER 12 HB1 SER 12 -10.019 6.320 -6.387
89 HG SER 12 HG SER 12 -11.715 5.097 -6.564
90 H ASN 13 HN ASN 13 -7.480 5.769 -4.157
91 HA ASN 13 HA ASN 13 -5.527 6.873 -6.144
92 1HB ASN 13 HB2 ASN 13 -7.129 8.164 -4.364
93 2HB ASN 13 HB1 ASN 13 -5.692 7.931 -3.369
94 1HD2 ASN 13 HD21 ASN 13 -4.529 9.870 -3.462
95 2HD2 ASN 13 HD22 ASN 13 -4.186 10.726 -4.886
96 H ASP 14 HN ASP 14 -4.180 4.952 -6.124
97 HA ASP 14 HA ASP 14 -3.138 3.776 -3.692
98 1HB ASP 14 HB2 ASP 14 -3.310 2.676 -5.932
99 2HB ASP 14 HB1 ASP 14 -2.066 3.769 -6.539
100 H GLN 15 HN GLN 15 -1.845 4.963 -2.327
101 HA GLN 15 HA GLN 15 0.268 6.711 -3.544
102 1HB GLN 15 HB2 GLN 15 -1.709 7.035 -1.330
103 2HB GLN 15 HB1 GLN 15 -0.129 7.788 -1.109
104 1HG GLN 15 HG2 GLN 15 -0.378 8.921 -3.302
105 2HG GLN 15 HG1 GLN 15 -1.978 8.202 -3.478
106 1HE2 GLN 15 HE21 GLN 15 -3.555 8.737 -1.603
107 2HE2 GLN 15 HE22 GLN 15 -3.448 10.288 -0.922
108 H CYS 16 HN CYS 16 0.593 3.866 -2.881
109 HA CYS 16 HA CYS 16 2.043 3.745 -0.321
110 1HB CYS 16 HB2 CYS 16 1.163 1.915 -2.503
111 2HB CYS 16 HB1 CYS 16 2.559 1.405 -1.553
112 H CYS 17 HN CYS 17 4.339 2.908 -0.319
113 HA CYS 17 HA CYS 17 6.003 4.532 -2.098
114 1HB CYS 17 HB2 CYS 17 6.142 3.457 0.470
115 2HB CYS 17 HB1 CYS 17 7.334 2.523 -0.432
116 H LYS 18 HN LYS 18 6.256 3.789 -4.181
117 HA LYS 18 HA LYS 18 6.161 0.978 -4.913
118 1HB LYS 18 HB2 LYS 18 6.139 3.556 -6.144
119 2HB LYS 18 HB1 LYS 18 7.436 2.622 -6.892
120 1HG LYS 18 HG2 LYS 18 5.837 0.747 -7.253
121 2HG LYS 18 HG1 LYS 18 4.547 1.753 -6.593
122 1HD LYS 18 HD2 LYS 18 4.300 2.160 -8.869
123 2HD LYS 18 HD1 LYS 18 5.373 3.481 -8.408
124 1HE LYS 18 HE2 LYS 18 7.064 1.271 -8.960
125 2HE LYS 18 HE1 LYS 18 5.878 1.337 -10.278
126 1HZ LYS 18 HZ1 LYS 18 6.302 3.699 -10.513
127 2HZ LYS 18 HZ2 LYS 18 7.752 2.832 -10.692
128 3HZ LYS 18 HZ3 LYS 18 7.425 3.656 -9.243
129 H SER 19 HN SER 19 8.745 3.237 -4.079
130 HA SER 19 HA SER 19 10.979 1.815 -5.172
131 1HB SER 19 HB2 SER 19 12.243 3.182 -3.541
132 2HB SER 19 HB1 SER 19 11.004 4.145 -4.341
133 HG SER 19 HG SER 19 10.110 4.441 -2.469
134 H SER 20 HN SER 20 9.231 1.483 -2.087
135 HA SER 20 HA SER 20 11.075 -0.664 -1.185
136 1HB SER 20 HB2 SER 20 10.123 1.293 0.206
137 2HB SER 20 HB1 SER 20 8.604 0.402 0.192
138 HG SER 20 HG SER 20 10.585 0.063 1.831
139 H LYS 21 HN LYS 21 8.908 -0.837 -3.455
140 HA LYS 21 HA LYS 21 7.404 -2.452 -4.260
141 1HB LYS 21 HB2 LYS 21 9.556 -3.661 -2.852
142 2HB LYS 21 HB1 LYS 21 8.108 -4.567 -2.423
143 1HG LYS 21 HG2 LYS 21 9.028 -5.578 -4.409
144 2HG LYS 21 HG1 LYS 21 7.567 -4.712 -4.885
145 1HD LYS 21 HD2 LYS 21 8.789 -3.558 -6.381
146 2HD LYS 21 HD1 LYS 21 9.689 -2.841 -5.045
147 1HE LYS 21 HE2 LYS 21 10.525 -5.600 -5.709
148 2HE LYS 21 HE1 LYS 21 10.833 -4.409 -6.987
149 1HZ LYS 21 HZ1 LYS 21 11.552 -4.068 -4.121
150 2HZ LYS 21 HZ2 LYS 21 11.865 -2.958 -5.368
151 3HZ LYS 21 HZ3 LYS 21 12.643 -4.468 -5.356
152 H LEU 22 HN LEU 22 5.940 -0.829 -2.795
153 HA LEU 22 HA LEU 22 4.319 -2.591 -0.979
154 1HB LEU 22 HB2 LEU 22 5.148 0.316 -0.701
155 2HB LEU 22 HB1 LEU 22 3.910 -0.436 0.302
156 HG LEU 22 HG LEU 22 6.691 -1.593 0.048
157 1HD1 LEU 22 HD11 LEU 22 7.290 -0.438 2.095
158 2HD1 LEU 22 HD12 LEU 22 5.674 0.254 2.227
159 3HD1 LEU 22 HD13 LEU 22 6.747 0.765 0.925
160 1HD2 LEU 22 HD21 LEU 22 5.444 -2.044 2.566
161 2HD2 LEU 22 HD22 LEU 22 5.775 -3.228 1.302
162 3HD2 LEU 22 HD23 LEU 22 4.233 -2.372 1.328
163 H VAL 23 HN VAL 23 2.102 -2.524 -1.382
164 HA VAL 23 HA VAL 23 1.071 -0.401 -3.228
165 HB VAL 23 HB VAL 23 -0.198 -2.270 -4.376
166 1HG1 VAL 23 HG11 VAL 23 1.991 -1.263 -5.191
167 2HG1 VAL 23 HG12 VAL 23 1.640 -2.888 -5.779
168 3HG1 VAL 23 HG13 VAL 23 2.801 -2.656 -4.473
169 1HG2 VAL 23 HG21 VAL 23 0.220 -3.839 -2.347
170 2HG2 VAL 23 HG22 VAL 23 1.799 -4.125 -3.078
171 3HG2 VAL 23 HG23 VAL 23 0.329 -4.535 -3.962
172 H CYS 24 HN CYS 24 -1.088 0.195 -2.838
173 HA CYS 24 HA CYS 24 -2.180 -0.252 -0.208
174 1HB CYS 24 HB2 CYS 24 -3.452 0.802 -2.761
175 2HB CYS 24 HB1 CYS 24 -4.066 1.063 -1.128
176 H SER 25 HN SER 25 -3.144 -2.142 0.437
177 HA SER 25 HA SER 25 -4.504 -3.842 -1.620
178 1HB SER 25 HB2 SER 25 -2.996 -4.279 0.921
179 2HB SER 25 HB1 SER 25 -4.278 -5.425 0.543
180 HG SER 25 HG SER 25 -2.471 -6.190 -0.445
181 H ARG 26 HN ARG 26 -6.707 -3.759 -1.599
182 HA ARG 26 HA ARG 26 -8.217 -2.416 0.475
183 1HB ARG 26 HB2 ARG 26 -10.131 -3.098 -0.899
184 2HB ARG 26 HB1 ARG 26 -8.823 -2.543 -1.941
185 1HG ARG 26 HG2 ARG 26 -8.170 -4.835 -2.428
186 2HG ARG 26 HG1 ARG 26 -9.348 -5.455 -1.272
187 1HD ARG 26 HD2 ARG 26 -11.179 -4.893 -2.638
188 2HD ARG 26 HD1 ARG 26 -10.244 -3.697 -3.558
189 HE ARG 26 HE ARG 26 -9.048 -6.307 -3.825
190 1HH1 ARG 26 HH21 ARG 26 -9.668 -4.201 -5.994
191 2HH1 ARG 26 HH22 ARG 26 -10.775 -5.087 -6.989
192 1HH2 ARG 26 HH11 ARG 26 -11.369 -7.543 -4.606
193 2HH2 ARG 26 HH12 ARG 26 -11.739 -6.981 -6.202
194 H LYS 27 HN LYS 27 -7.302 -5.769 -0.087
195 HA LYS 27 HA LYS 27 -9.267 -6.986 1.653
196 1HB LYS 27 HB2 LYS 27 -7.856 -8.955 1.393
197 2HB LYS 27 HB1 LYS 27 -7.932 -8.114 -0.153
198 1HG LYS 27 HG2 LYS 27 -5.736 -7.114 1.477
199 2HG LYS 27 HG1 LYS 27 -5.609 -8.853 1.233
200 1HD LYS 27 HD2 LYS 27 -6.143 -6.934 -1.043
201 2HD LYS 27 HD1 LYS 27 -4.513 -7.390 -0.553
202 1HE LYS 27 HE2 LYS 27 -5.929 -9.824 -0.741
203 2HE LYS 27 HE1 LYS 27 -6.393 -8.886 -2.174
204 1HZ LYS 27 HZ1 LYS 27 -3.622 -9.391 -1.217
205 2HZ LYS 27 HZ2 LYS 27 -4.025 -8.369 -2.515
206 3HZ LYS 27 HZ3 LYS 27 -4.336 -10.036 -2.614
207 H THR 28 HN THR 28 -6.219 -5.345 2.222
208 HA THR 28 HA THR 28 -6.228 -6.238 5.080
209 HB THR 28 HB THR 28 -3.870 -5.401 4.999
210 HG1 THR 28 HG1 THR 28 -3.082 -4.560 3.176
211 1HG2 THR 28 HG21 THR 28 -4.805 -7.763 4.145
212 2HG2 THR 28 HG22 THR 28 -3.091 -7.352 4.073
213 3HG2 THR 28 HG23 THR 28 -4.097 -7.192 2.634
214 H ARG 29 HN ARG 29 -7.094 -3.602 3.093
215 HA ARG 29 HA ARG 29 -7.882 -1.455 3.634
216 1HB ARG 29 HB2 ARG 29 -8.108 -3.047 5.968
217 2HB ARG 29 HB1 ARG 29 -7.454 -1.495 6.488
218 1HG ARG 29 HG2 ARG 29 -9.765 -1.110 6.541
219 2HG ARG 29 HG1 ARG 29 -9.313 -0.479 4.958
220 1HD ARG 29 HD2 ARG 29 -10.782 -1.919 4.010
221 2HD ARG 29 HD1 ARG 29 -9.817 -3.271 4.632
222 HE ARG 29 HE ARG 29 -11.502 -2.067 6.685
223 1HH1 ARG 29 HH21 ARG 29 -13.212 -2.889 4.251
224 2HH1 ARG 29 HH22 ARG 29 -13.693 -4.483 4.726
225 1HH2 ARG 29 HH11 ARG 29 -11.307 -4.743 7.238
226 2HH2 ARG 29 HH12 ARG 29 -12.612 -5.536 6.422
227 H TRP 30 HN TRP 30 -4.772 -2.327 3.701
228 HA TRP 30 HA TRP 30 -3.860 0.439 4.110
229 1HB TRP 30 HB2 TRP 30 -2.166 -0.265 5.821
230 2HB TRP 30 HB1 TRP 30 -3.824 -0.409 6.387
231 HD1 TRP 30 HD1 TRP 30 -1.555 -2.835 4.364
232 HE1 TRP 30 HE1 TRP 30 -1.635 -5.136 5.519
233 HE3 TRP 30 HE3 TRP 30 -4.604 -1.735 8.308
234 HZ2 TRP 30 HZ2 TRP 30 -2.837 -6.353 7.811
235 HZ3 TRP 30 HZ3 TRP 30 -5.200 -3.482 9.960
236 HH2 TRP 30 HH2 TRP 30 -4.320 -5.788 9.718
237 H CYS 31 HN CYS 31 -1.213 0.254 3.983
238 HA CYS 31 HA CYS 31 -0.670 -0.687 1.306
239 1HB CYS 31 HB2 CYS 31 0.316 1.244 2.777
240 2HB CYS 31 HB1 CYS 31 1.420 -0.004 3.356
241 H LYS 32 HN LYS 32 0.296 -2.569 0.635
242 HA LYS 32 HA LYS 32 1.357 -4.460 2.705
243 1HB LYS 32 HB2 LYS 32 -0.952 -5.025 2.019
244 2HB LYS 32 HB1 LYS 32 -0.447 -5.038 0.329
245 1HG LYS 32 HG2 LYS 32 0.780 -7.004 0.566
246 2HG LYS 32 HG1 LYS 32 1.008 -6.774 2.301
247 1HD LYS 32 HD2 LYS 32 -0.955 -7.796 2.815
248 2HD LYS 32 HD1 LYS 32 -1.813 -7.017 1.485
249 1HE LYS 32 HE2 LYS 32 -0.965 -8.630 -0.107
250 2HE LYS 32 HE1 LYS 32 0.126 -9.326 1.107
251 1HZ LYS 32 HZ1 LYS 32 -1.936 -10.604 0.929
252 2HZ LYS 32 HZ2 LYS 32 -2.839 -9.219 1.319
253 3HZ LYS 32 HZ3 LYS 32 -1.783 -9.899 2.464
254 H TYR 33 HN TYR 33 3.264 -5.483 2.089
255 HA TYR 33 HA TYR 33 4.810 -4.472 -0.103
256 1HB TYR 33 HB2 TYR 33 6.463 -5.927 0.734
257 2HB TYR 33 HB1 TYR 33 5.455 -5.638 2.149
258 HD1 TYR 33 HD1 TYR 33 3.393 -7.332 2.396
259 HD2 TYR 33 HD2 TYR 33 6.986 -8.126 0.181
260 HE1 TYR 33 HE1 TYR 33 2.959 -9.765 2.567
261 HE2 TYR 33 HE2 TYR 33 6.551 -10.561 0.352
262 HH TYR 33 HH TYR 33 4.041 -11.956 0.761
263 H GLN 34 HN GLN 34 5.420 -5.530 -2.081
264 HA GLN 34 HA GLN 34 3.325 -6.906 -3.478
265 1HB GLN 34 HB2 GLN 34 5.054 -5.498 -4.527
266 2HB GLN 34 HB1 GLN 34 6.302 -6.643 -4.033
267 1HG GLN 34 HG2 GLN 34 5.385 -8.366 -5.456
268 2HG GLN 34 HG1 GLN 34 3.962 -7.388 -5.811
269 1HE2 GLN 34 HE21 GLN 34 4.343 -7.186 -8.106
270 2HE2 GLN 34 HE22 GLN 34 5.676 -6.345 -8.737
271 H ILE 35 HN ILE 35 3.261 -9.123 -4.194
272 HA ILE 35 HA ILE 35 4.291 -11.071 -2.257
273 HB ILE 35 HB ILE 35 2.771 -11.351 -4.877
274 1HG1 ILE 35 HG12 ILE 35 1.557 -10.006 -3.212
275 2HG1 ILE 35 HG11 ILE 35 0.789 -11.582 -3.397
276 1HG2 ILE 35 HG21 ILE 35 2.095 -13.565 -3.939
277 2HG2 ILE 35 HG22 ILE 35 3.221 -13.313 -2.605
278 3HG2 ILE 35 HG23 ILE 35 3.828 -13.463 -4.254
279 1HD1 ILE 35 HD11 ILE 35 0.978 -11.017 -1.017
280 2HD1 ILE 35 HD12 ILE 35 2.718 -10.789 -1.193
281 3HD1 ILE 35 HD13 ILE 35 2.014 -12.394 -1.393
Start of MODEL 4
1 1H GLU 1 HT1 GLU 1 0.814 12.174 4.605
2 2H GLU 1 HT2 GLU 1 1.484 12.682 6.082
3 3H GLU 1 HT3 GLU 1 0.460 11.326 6.032
4 HA GLU 1 HA GLU 1 3.158 11.515 4.779
5 1HB GLU 1 HB2 GLU 1 2.316 11.136 7.428
6 2HB GLU 1 HB1 GLU 1 2.649 9.508 6.836
7 1HG GLU 1 HG2 GLU 1 4.746 11.146 5.866
8 2HG GLU 1 HG1 GLU 1 4.521 11.582 7.560
9 H CYS 2 HN CYS 2 3.842 9.087 4.348
10 HA CYS 2 HA CYS 2 1.916 7.955 2.484
11 1HB CYS 2 HB2 CYS 2 3.705 6.357 2.065
12 2HB CYS 2 HB1 CYS 2 4.421 7.955 2.254
13 H LEU 3 HN LEU 3 1.331 5.558 2.633
14 HA LEU 3 HA LEU 3 0.313 4.971 5.367
15 1HB LEU 3 HB2 LEU 3 -0.304 3.839 2.616
16 2HB LEU 3 HB1 LEU 3 -1.149 3.393 4.097
17 HG LEU 3 HG LEU 3 -0.963 6.260 3.144
18 1HD1 LEU 3 HD11 LEU 3 -3.316 4.406 2.720
19 2HD1 LEU 3 HD12 LEU 3 -2.093 4.677 1.478
20 3HD1 LEU 3 HD13 LEU 3 -3.076 6.022 2.056
21 1HD2 LEU 3 HD21 LEU 3 -3.110 5.011 4.849
22 2HD2 LEU 3 HD22 LEU 3 -2.608 6.699 4.764
23 3HD2 LEU 3 HD23 LEU 3 -1.583 5.514 5.573
24 H GLU 4 HN GLU 4 1.449 3.542 6.585
25 HA GLU 4 HA GLU 4 3.666 1.990 5.595
26 1HB GLU 4 HB2 GLU 4 2.569 2.821 8.040
27 2HB GLU 4 HB1 GLU 4 2.497 1.060 8.096
28 1HG GLU 4 HG2 GLU 4 4.995 1.461 7.041
29 2HG GLU 4 HG1 GLU 4 4.845 2.848 8.121
30 H ILE 5 HN ILE 5 3.537 -0.513 6.535
31 HA ILE 5 HA ILE 5 1.985 -1.969 4.620
32 HB ILE 5 HB ILE 5 4.132 -2.634 5.771
33 1HG1 ILE 5 HG12 ILE 5 3.303 -5.066 6.202
34 2HG1 ILE 5 HG11 ILE 5 1.731 -4.457 5.687
35 1HG2 ILE 5 HG21 ILE 5 2.326 -3.452 8.059
36 2HG2 ILE 5 HG22 ILE 5 3.263 -1.958 8.069
37 3HG2 ILE 5 HG23 ILE 5 4.087 -3.516 7.997
38 1HD1 ILE 5 HD11 ILE 5 2.876 -3.562 3.608
39 2HD1 ILE 5 HD12 ILE 5 2.807 -5.321 3.724
40 3HD1 ILE 5 HD13 ILE 5 4.306 -4.471 4.100
41 H PHE 6 HN PHE 6 0.161 -3.355 4.950
42 HA PHE 6 HA PHE 6 -1.984 -3.890 5.751
43 1HB PHE 6 HB2 PHE 6 -0.296 -3.522 8.228
44 2HB PHE 6 HB1 PHE 6 -1.989 -3.997 8.349
45 HD1 PHE 6 HD1 PHE 6 -2.709 -5.971 6.713
46 HD2 PHE 6 HD2 PHE 6 1.313 -5.200 8.014
47 HE1 PHE 6 HE1 PHE 6 -2.089 -8.314 6.188
48 HE2 PHE 6 HE2 PHE 6 1.932 -7.543 7.487
49 HZ PHE 6 HZ PHE 6 0.231 -9.099 6.574
50 H LYS 7 HN LYS 7 -1.551 -1.094 5.030
51 HA LYS 7 HA LYS 7 -3.255 0.335 7.042
52 1HB LYS 7 HB2 LYS 7 -1.206 1.145 4.986
53 2HB LYS 7 HB1 LYS 7 -2.369 2.326 5.588
54 1HG LYS 7 HG2 LYS 7 -0.583 0.644 7.368
55 2HG LYS 7 HG1 LYS 7 -0.222 2.300 6.882
56 1HD LYS 7 HD2 LYS 7 -2.666 2.758 7.791
57 2HD LYS 7 HD1 LYS 7 -2.360 1.289 8.719
58 1HE LYS 7 HE2 LYS 7 -1.385 2.742 10.203
59 2HE LYS 7 HE1 LYS 7 -0.006 2.645 9.092
60 1HZ LYS 7 HZ1 LYS 7 -0.657 4.948 9.427
61 2HZ LYS 7 HZ2 LYS 7 -2.242 4.602 8.925
62 3HZ LYS 7 HZ3 LYS 7 -0.953 4.485 7.822
63 H ALA 8 HN ALA 8 -5.366 0.627 6.471
64 HA ALA 8 HA ALA 8 -6.529 -0.209 4.012
65 1HB ALA 8 HB1 ALA 8 -7.627 0.205 6.259
66 2HB ALA 8 HB2 ALA 8 -8.511 0.878 4.890
67 3HB ALA 8 HB3 ALA 8 -7.536 1.933 5.914
68 H CYS 9 HN CYS 9 -6.196 0.705 2.017
69 HA CYS 9 HA CYS 9 -6.115 3.695 1.824
70 1HB CYS 9 HB2 CYS 9 -4.162 3.543 0.392
71 2HB CYS 9 HB1 CYS 9 -3.822 2.633 1.863
72 H ASN 10 HN ASN 10 -6.674 4.476 -0.359
73 HA ASN 10 HA ASN 10 -8.749 2.817 -1.623
74 1HB ASN 10 HB2 ASN 10 -7.703 5.630 -1.823
75 2HB ASN 10 HB1 ASN 10 -8.757 5.009 -3.092
76 1HD2 ASN 10 HD21 ASN 10 -8.830 6.620 -0.143
77 2HD2 ASN 10 HD22 ASN 10 -10.420 6.248 0.319
78 HA PRO 11 HA PRO 11 -6.214 1.276 -4.888
79 1HB PRO 11 HB2 PRO 11 -8.117 0.926 -6.828
80 2HB PRO 11 HB1 PRO 11 -7.957 -0.146 -5.422
81 1HG PRO 11 HG2 PRO 11 -9.876 2.081 -5.895
82 2HG PRO 11 HG1 PRO 11 -10.139 0.507 -5.128
83 1HD PRO 11 HD2 PRO 11 -9.827 2.818 -3.724
84 2HD PRO 11 HD1 PRO 11 -9.369 1.220 -3.093
85 H SER 12 HN SER 12 -8.508 3.896 -5.687
86 HA SER 12 HA SER 12 -7.105 4.748 -8.089
87 1HB SER 12 HB2 SER 12 -8.656 6.702 -7.845
88 2HB SER 12 HB1 SER 12 -9.489 5.157 -7.723
89 HG SER 12 HG SER 12 -10.095 5.765 -5.814
90 H ASN 13 HN ASN 13 -7.249 5.969 -4.722
91 HA ASN 13 HA ASN 13 -4.910 7.738 -5.317
92 1HB ASN 13 HB2 ASN 13 -7.369 8.139 -4.056
93 2HB ASN 13 HB1 ASN 13 -6.232 8.005 -2.715
94 1HD2 ASN 13 HD21 ASN 13 -7.342 10.085 -5.259
95 2HD2 ASN 13 HD22 ASN 13 -6.206 11.324 -5.028
96 H ASP 14 HN ASP 14 -3.505 5.759 -5.205
97 HA ASP 14 HA ASP 14 -3.266 4.378 -2.630
98 1HB ASP 14 HB2 ASP 14 -1.441 3.182 -3.811
99 2HB ASP 14 HB1 ASP 14 -2.907 3.237 -4.784
100 H GLN 15 HN GLN 15 -2.374 5.489 -0.955
101 HA GLN 15 HA GLN 15 -0.075 7.340 -1.475
102 1HB GLN 15 HB2 GLN 15 -2.278 7.106 0.564
103 2HB GLN 15 HB1 GLN 15 -0.800 7.968 0.991
104 1HG GLN 15 HG2 GLN 15 -1.086 9.408 -1.014
105 2HG GLN 15 HG1 GLN 15 -2.598 8.574 -1.376
106 1HE2 GLN 15 HE21 GLN 15 -4.252 8.615 0.542
107 2HE2 GLN 15 HE22 GLN 15 -4.336 10.054 1.438
108 H CYS 16 HN CYS 16 0.520 4.587 -1.507
109 HA CYS 16 HA CYS 16 1.279 3.588 1.115
110 1HB CYS 16 HB2 CYS 16 0.876 2.578 -1.412
111 2HB CYS 16 HB1 CYS 16 2.634 2.529 -1.282
112 H CYS 17 HN CYS 17 3.481 3.246 1.853
113 HA CYS 17 HA CYS 17 5.240 5.525 1.478
114 1HB CYS 17 HB2 CYS 17 5.618 2.822 2.810
115 2HB CYS 17 HB1 CYS 17 6.693 4.202 3.018
116 H LYS 18 HN LYS 18 6.242 5.723 -0.506
117 HA LYS 18 HA LYS 18 7.047 3.496 -2.172
118 1HB LYS 18 HB2 LYS 18 7.337 6.470 -2.093
119 2HB LYS 18 HB1 LYS 18 8.438 5.580 -3.145
120 1HG LYS 18 HG2 LYS 18 5.637 4.684 -3.318
121 2HG LYS 18 HG1 LYS 18 5.891 6.347 -3.845
122 1HD LYS 18 HD2 LYS 18 6.620 5.519 -5.810
123 2HD LYS 18 HD1 LYS 18 8.036 4.915 -4.949
124 1HE LYS 18 HE2 LYS 18 7.247 2.749 -4.892
125 2HE LYS 18 HE1 LYS 18 5.555 3.262 -4.760
126 1HZ LYS 18 HZ1 LYS 18 5.356 3.052 -6.949
127 2HZ LYS 18 HZ2 LYS 18 6.981 2.582 -7.085
128 3HZ LYS 18 HZ3 LYS 18 6.559 4.223 -7.192
129 H SER 19 HN SER 19 8.573 5.165 0.496
130 HA SER 19 HA SER 19 11.331 4.670 -0.104
131 1HB SER 19 HB2 SER 19 10.243 6.174 1.662
132 2HB SER 19 HB1 SER 19 10.022 4.718 2.628
133 HG SER 19 HG SER 19 12.058 4.800 3.120
134 H SER 20 HN SER 20 8.846 2.667 1.489
135 HA SER 20 HA SER 20 10.843 0.483 1.872
136 1HB SER 20 HB2 SER 20 8.899 1.528 3.482
137 2HB SER 20 HB1 SER 20 8.031 0.179 2.754
138 HG SER 20 HG SER 20 9.291 -1.183 3.774
139 H LYS 21 HN LYS 21 9.477 1.330 -0.779
140 HA LYS 21 HA LYS 21 8.547 0.265 -2.661
141 1HB LYS 21 HB2 LYS 21 10.326 -1.508 -1.220
142 2HB LYS 21 HB1 LYS 21 9.069 -2.447 -2.023
143 1HG LYS 21 HG2 LYS 21 10.336 -2.247 -3.889
144 2HG LYS 21 HG1 LYS 21 9.762 -0.580 -3.948
145 1HD LYS 21 HD2 LYS 21 11.708 0.007 -2.406
146 2HD LYS 21 HD1 LYS 21 12.333 -1.610 -2.729
147 1HE LYS 21 HE2 LYS 21 13.259 -0.830 -4.644
148 2HE LYS 21 HE1 LYS 21 11.634 -0.455 -5.251
149 1HZ LYS 21 HZ1 LYS 21 13.251 1.277 -3.450
150 2HZ LYS 21 HZ2 LYS 21 11.688 1.627 -4.021
151 3HZ LYS 21 HZ3 LYS 21 12.994 1.549 -5.104
152 H LEU 22 HN LEU 22 6.654 0.770 -0.526
153 HA LEU 22 HA LEU 22 4.982 -1.687 -0.365
154 1HB LEU 22 HB2 LEU 22 4.844 1.082 0.870
155 2HB LEU 22 HB1 LEU 22 3.632 -0.166 1.155
156 HG LEU 22 HG LEU 22 6.580 -0.626 1.657
157 1HD1 LEU 22 HD11 LEU 22 5.737 -0.360 4.128
158 2HD1 LEU 22 HD12 LEU 22 4.463 0.614 3.394
159 3HD1 LEU 22 HD13 LEU 22 6.153 1.080 3.197
160 1HD2 LEU 22 HD21 LEU 22 4.806 -2.097 3.351
161 2HD2 LEU 22 HD22 LEU 22 5.882 -2.722 2.102
162 3HD2 LEU 22 HD23 LEU 22 4.229 -2.264 1.693
163 H VAL 23 HN VAL 23 2.936 -1.824 -1.367
164 HA VAL 23 HA VAL 23 1.997 0.506 -2.983
165 HB VAL 23 HB VAL 23 1.707 -1.108 -4.915
166 1HG1 VAL 23 HG11 VAL 23 3.691 0.472 -4.581
167 2HG1 VAL 23 HG12 VAL 23 3.960 -0.895 -5.662
168 3HG1 VAL 23 HG13 VAL 23 4.588 -0.937 -4.015
169 1HG2 VAL 23 HG21 VAL 23 1.767 -3.204 -3.622
170 2HG2 VAL 23 HG22 VAL 23 3.434 -2.877 -3.149
171 3HG2 VAL 23 HG23 VAL 23 3.043 -3.199 -4.838
172 H CYS 24 HN CYS 24 -0.235 0.665 -2.986
173 HA CYS 24 HA CYS 24 -1.852 -0.882 -1.215
174 1HB CYS 24 HB2 CYS 24 -2.303 1.043 -3.484
175 2HB CYS 24 HB1 CYS 24 -3.683 0.247 -2.727
176 H SER 25 HN SER 25 -2.367 -3.023 -1.512
177 HA SER 25 HA SER 25 -2.566 -4.110 -4.280
178 1HB SER 25 HB2 SER 25 -1.847 -5.062 -1.620
179 2HB SER 25 HB1 SER 25 -3.026 -6.128 -2.379
180 HG SER 25 HG SER 25 -1.412 -6.838 -3.510
181 H ARG 26 HN ARG 26 -4.550 -4.402 -5.206
182 HA ARG 26 HA ARG 26 -7.001 -3.603 -3.953
183 1HB ARG 26 HB2 ARG 26 -6.365 -3.717 -6.421
184 2HB ARG 26 HB1 ARG 26 -6.645 -5.456 -6.326
185 1HG ARG 26 HG2 ARG 26 -8.960 -5.028 -5.547
186 2HG ARG 26 HG1 ARG 26 -8.678 -3.294 -5.698
187 1HD ARG 26 HD2 ARG 26 -7.993 -3.881 -8.168
188 2HD ARG 26 HD1 ARG 26 -8.930 -5.360 -7.875
189 HE ARG 26 HE ARG 26 -10.146 -2.707 -7.238
190 1HH1 ARG 26 HH21 ARG 26 -10.081 -3.691 -10.176
191 2HH1 ARG 26 HH22 ARG 26 -11.660 -4.392 -10.302
192 1HH2 ARG 26 HH11 ARG 26 -12.191 -4.472 -6.869
193 2HH2 ARG 26 HH12 ARG 26 -12.857 -4.835 -8.427
194 H LYS 27 HN LYS 27 -5.488 -6.799 -4.378
195 HA LYS 27 HA LYS 27 -7.754 -8.352 -3.476
196 1HB LYS 27 HB2 LYS 27 -5.200 -8.749 -4.566
197 2HB LYS 27 HB1 LYS 27 -5.131 -9.522 -2.982
198 1HG LYS 27 HG2 LYS 27 -7.158 -10.808 -3.499
199 2HG LYS 27 HG1 LYS 27 -7.280 -10.009 -5.066
200 1HD LYS 27 HD2 LYS 27 -5.993 -11.660 -5.901
201 2HD LYS 27 HD1 LYS 27 -4.655 -10.973 -4.981
202 1HE LYS 27 HE2 LYS 27 -6.129 -12.459 -3.096
203 2HE LYS 27 HE1 LYS 27 -6.053 -13.481 -4.544
204 1HZ LYS 27 HZ1 LYS 27 -3.674 -13.045 -4.683
205 2HZ LYS 27 HZ2 LYS 27 -4.063 -13.758 -3.192
206 3HZ LYS 27 HZ3 LYS 27 -3.745 -12.092 -3.281
207 H THR 28 HN THR 28 -5.015 -6.818 -1.803
208 HA THR 28 HA THR 28 -5.720 -8.078 0.779
209 HB THR 28 HB THR 28 -3.722 -6.908 1.552
210 HG1 THR 28 HG1 THR 28 -2.764 -5.356 0.353
211 1HG2 THR 28 HG21 THR 28 -2.078 -7.724 -0.185
212 2HG2 THR 28 HG22 THR 28 -3.459 -8.126 -1.203
213 3HG2 THR 28 HG23 THR 28 -3.246 -8.929 0.353
214 H ARG 29 HN ARG 29 -6.465 -5.155 -0.946
215 HA ARG 29 HA ARG 29 -7.877 -3.361 -0.392
216 1HB ARG 29 HB2 ARG 29 -8.581 -5.542 1.318
217 2HB ARG 29 HB1 ARG 29 -8.643 -4.063 2.276
218 1HG ARG 29 HG2 ARG 29 -9.843 -4.027 -0.467
219 2HG ARG 29 HG1 ARG 29 -10.733 -4.835 0.824
220 1HD ARG 29 HD2 ARG 29 -9.692 -2.271 1.738
221 2HD ARG 29 HD1 ARG 29 -10.723 -2.076 0.309
222 HE ARG 29 HE ARG 29 -11.830 -3.928 2.289
223 1HH1 ARG 29 HH11 ARG 29 -11.335 -1.202 3.599
224 2HH1 ARG 29 HH12 ARG 29 -12.865 -0.431 3.343
225 1HH2 ARG 29 HH21 ARG 29 -13.913 -2.712 0.940
226 2HH2 ARG 29 HH22 ARG 29 -14.327 -1.288 1.835
227 H TRP 30 HN TRP 30 -4.931 -3.822 0.852
228 HA TRP 30 HA TRP 30 -4.953 -1.194 2.205
229 1HB TRP 30 HB2 TRP 30 -3.786 -2.152 4.201
230 2HB TRP 30 HB1 TRP 30 -5.426 -2.761 4.015
231 HD1 TRP 30 HD1 TRP 30 -2.033 -3.917 2.509
232 HE1 TRP 30 HE1 TRP 30 -1.826 -6.455 2.885
233 HE3 TRP 30 HE3 TRP 30 -6.378 -4.785 5.043
234 HZ2 TRP 30 HZ2 TRP 30 -3.309 -8.576 4.098
235 HZ3 TRP 30 HZ3 TRP 30 -6.955 -7.074 5.798
236 HH2 TRP 30 HH2 TRP 30 -5.426 -8.969 5.329
237 H CYS 31 HN CYS 31 -2.426 -0.986 3.078
238 HA CYS 31 HA CYS 31 -0.834 -1.003 0.629
239 1HB CYS 31 HB2 CYS 31 -0.829 0.165 3.310
240 2HB CYS 31 HB1 CYS 31 0.786 -0.322 2.796
241 H LYS 32 HN LYS 32 0.722 -2.507 0.065
242 HA LYS 32 HA LYS 32 1.693 -4.420 2.149
243 1HB LYS 32 HB2 LYS 32 -0.356 -5.098 0.581
244 2HB LYS 32 HB1 LYS 32 0.940 -5.433 -0.568
245 1HG LYS 32 HG2 LYS 32 2.054 -6.837 1.193
246 2HG LYS 32 HG1 LYS 32 0.633 -6.605 2.212
247 1HD LYS 32 HD2 LYS 32 -0.603 -8.091 1.026
248 2HD LYS 32 HD1 LYS 32 -0.015 -7.478 -0.520
249 1HE LYS 32 HE2 LYS 32 2.121 -8.719 -0.180
250 2HE LYS 32 HE1 LYS 32 1.465 -9.388 1.327
251 1HZ LYS 32 HZ1 LYS 32 1.051 -10.872 -0.555
252 2HZ LYS 32 HZ2 LYS 32 0.207 -9.636 -1.358
253 3HZ LYS 32 HZ3 LYS 32 -0.403 -10.283 0.090
254 H TYR 33 HN TYR 33 3.774 -5.281 1.676
255 HA TYR 33 HA TYR 33 5.580 -3.638 0.187
256 1HB TYR 33 HB2 TYR 33 7.159 -5.548 0.620
257 2HB TYR 33 HB1 TYR 33 6.288 -5.025 2.059
258 HD1 TYR 33 HD1 TYR 33 4.946 -6.545 3.279
259 HD2 TYR 33 HD2 TYR 33 6.235 -7.564 -0.691
260 HE1 TYR 33 HE1 TYR 33 4.060 -8.840 3.580
261 HE2 TYR 33 HE2 TYR 33 5.346 -9.859 -0.390
262 HH TYR 33 HH TYR 33 3.204 -10.751 1.637
263 H GLN 34 HN GLN 34 6.859 -4.291 -1.725
264 HA GLN 34 HA GLN 34 5.157 -5.514 -3.809
265 1HB GLN 34 HB2 GLN 34 6.547 -3.377 -4.000
266 2HB GLN 34 HB1 GLN 34 7.974 -4.414 -4.004
267 1HG GLN 34 HG2 GLN 34 6.651 -5.691 -5.909
268 2HG GLN 34 HG1 GLN 34 5.822 -4.144 -6.076
269 1HE2 GLN 34 HE21 GLN 34 7.071 -4.386 -8.300
270 2HE2 GLN 34 HE22 GLN 34 8.622 -3.698 -8.351
271 H ILE 35 HN ILE 35 5.588 -7.505 -4.783
272 HA ILE 35 HA ILE 35 7.680 -9.202 -3.493
273 HB ILE 35 HB ILE 35 5.310 -9.884 -5.271
274 1HG1 ILE 35 HG12 ILE 35 5.589 -10.258 -2.275
275 2HG1 ILE 35 HG11 ILE 35 4.808 -8.848 -2.990
276 1HG2 ILE 35 HG21 ILE 35 7.378 -11.483 -5.049
277 2HG2 ILE 35 HG22 ILE 35 5.758 -12.146 -4.840
278 3HG2 ILE 35 HG23 ILE 35 6.750 -11.783 -3.428
279 1HD1 ILE 35 HD11 ILE 35 3.900 -11.693 -2.929
280 2HD1 ILE 35 HD12 ILE 35 3.482 -10.727 -4.344
281 3HD1 ILE 35 HD13 ILE 35 2.961 -10.212 -2.740
Start of MODEL 5
1 1H GLU 1 HT1 GLU 1 4.536 12.026 6.554
2 2H GLU 1 HT2 GLU 1 3.210 11.000 6.273
3 3H GLU 1 HT3 GLU 1 4.019 11.725 4.967
4 HA GLU 1 HA GLU 1 6.026 10.445 5.460
5 1HB GLU 1 HB2 GLU 1 4.477 10.142 7.902
6 2HB GLU 1 HB1 GLU 1 5.013 8.572 7.306
7 1HG GLU 1 HG2 GLU 1 6.874 9.192 8.542
8 2HG GLU 1 HG1 GLU 1 7.311 9.858 6.969
9 H CYS 2 HN CYS 2 6.209 8.084 4.819
10 HA CYS 2 HA CYS 2 4.278 7.386 2.787
11 1HB CYS 2 HB2 CYS 2 5.734 5.504 2.443
12 2HB CYS 2 HB1 CYS 2 6.770 6.845 2.927
13 H LEU 3 HN LEU 3 2.912 5.446 2.766
14 HA LEU 3 HA LEU 3 1.618 4.953 5.376
15 1HB LEU 3 HB2 LEU 3 1.056 4.172 2.500
16 2HB LEU 3 HB1 LEU 3 0.036 3.665 3.844
17 HG LEU 3 HG LEU 3 0.678 6.549 3.151
18 1HD1 LEU 3 HD11 LEU 3 -1.921 6.430 2.717
19 2HD1 LEU 3 HD12 LEU 3 -1.597 4.715 2.464
20 3HD1 LEU 3 HD13 LEU 3 -0.795 5.922 1.459
21 1HD2 LEU 3 HD21 LEU 3 -0.981 5.203 5.284
22 2HD2 LEU 3 HD22 LEU 3 -1.347 6.845 4.755
23 3HD2 LEU 3 HD23 LEU 3 0.223 6.478 5.469
24 H GLU 4 HN GLU 4 2.201 3.245 6.631
25 HA GLU 4 HA GLU 4 4.089 1.221 5.725
26 1HB GLU 4 HB2 GLU 4 2.421 1.633 8.224
27 2HB GLU 4 HB1 GLU 4 3.635 0.363 8.067
28 1HG GLU 4 HG2 GLU 4 4.807 2.828 7.201
29 2HG GLU 4 HG1 GLU 4 4.041 3.101 8.766
30 H ILE 5 HN ILE 5 3.438 -1.186 6.412
31 HA ILE 5 HA ILE 5 1.405 -2.082 4.590
32 HB ILE 5 HB ILE 5 3.567 -3.152 5.756
33 1HG1 ILE 5 HG12 ILE 5 2.001 -3.999 3.863
34 2HG1 ILE 5 HG11 ILE 5 2.987 -5.178 4.722
35 1HG2 ILE 5 HG21 ILE 5 2.810 -4.924 7.375
36 2HG2 ILE 5 HG22 ILE 5 1.252 -4.103 7.462
37 3HG2 ILE 5 HG23 ILE 5 2.713 -3.280 8.007
38 1HD1 ILE 5 HD11 ILE 5 0.206 -5.256 4.394
39 2HD1 ILE 5 HD12 ILE 5 0.440 -4.759 6.069
40 3HD1 ILE 5 HD13 ILE 5 1.161 -6.258 5.487
41 H PHE 6 HN PHE 6 -0.630 -3.134 5.114
42 HA PHE 6 HA PHE 6 -2.726 -3.245 6.184
43 1HB PHE 6 HB2 PHE 6 -0.758 -3.235 8.489
44 2HB PHE 6 HB1 PHE 6 -2.489 -3.440 8.739
45 HD1 PHE 6 HD1 PHE 6 0.224 -5.326 8.876
46 HD2 PHE 6 HD2 PHE 6 -3.308 -5.080 6.442
47 HE1 PHE 6 HE1 PHE 6 0.436 -7.732 8.324
48 HE2 PHE 6 HE2 PHE 6 -3.094 -7.487 5.890
49 HZ PHE 6 HZ PHE 6 -1.222 -8.813 6.831
50 H LYS 7 HN LYS 7 -1.872 -0.641 5.335
51 HA LYS 7 HA LYS 7 -3.148 1.078 7.441
52 1HB LYS 7 HB2 LYS 7 -0.558 1.189 6.877
53 2HB LYS 7 HB1 LYS 7 -1.118 2.120 5.487
54 1HG LYS 7 HG2 LYS 7 -1.233 3.925 6.828
55 2HG LYS 7 HG1 LYS 7 -2.554 3.132 7.687
56 1HD LYS 7 HD2 LYS 7 0.368 2.642 8.318
57 2HD LYS 7 HD1 LYS 7 -0.614 3.844 9.154
58 1HE LYS 7 HE2 LYS 7 -2.176 1.505 9.205
59 2HE LYS 7 HE1 LYS 7 -0.525 0.967 9.570
60 1HZ LYS 7 HZ1 LYS 7 -1.574 1.729 11.587
61 2HZ LYS 7 HZ2 LYS 7 -1.976 3.215 10.869
62 3HZ LYS 7 HZ3 LYS 7 -0.348 2.820 11.157
63 H ALA 8 HN ALA 8 -4.845 2.304 6.692
64 HA ALA 8 HA ALA 8 -6.155 1.863 4.247
65 1HB ALA 8 HB1 ALA 8 -6.076 4.295 6.062
66 2HB ALA 8 HB2 ALA 8 -7.183 2.927 6.182
67 3HB ALA 8 HB3 ALA 8 -7.295 4.035 4.814
68 H CYS 9 HN CYS 9 -5.454 2.293 2.203
69 HA CYS 9 HA CYS 9 -3.789 4.750 1.741
70 1HB CYS 9 HB2 CYS 9 -2.496 3.435 0.180
71 2HB CYS 9 HB1 CYS 9 -2.626 2.494 1.665
72 H ASN 10 HN ASN 10 -3.779 4.958 -0.925
73 HA ASN 10 HA ASN 10 -6.634 4.773 -1.826
74 1HB ASN 10 HB2 ASN 10 -5.341 7.051 -0.984
75 2HB ASN 10 HB1 ASN 10 -5.061 7.103 -2.725
76 1HD2 ASN 10 HD21 ASN 10 -6.939 7.315 -4.138
77 2HD2 ASN 10 HD22 ASN 10 -8.465 7.734 -3.526
78 HA PRO 11 HA PRO 11 -4.711 3.001 -5.407
79 1HB PRO 11 HB2 PRO 11 -6.873 3.112 -7.088
80 2HB PRO 11 HB1 PRO 11 -6.713 1.910 -5.792
81 1HG PRO 11 HG2 PRO 11 -8.304 4.422 -5.859
82 2HG PRO 11 HG1 PRO 11 -8.702 2.851 -5.147
83 1HD PRO 11 HD2 PRO 11 -7.846 4.997 -3.692
84 2HD PRO 11 HD1 PRO 11 -7.598 3.308 -3.198
85 H SER 12 HN SER 12 -6.709 5.950 -5.807
86 HA SER 12 HA SER 12 -5.473 6.810 -8.278
87 1HB SER 12 HB2 SER 12 -7.341 7.825 -6.213
88 2HB SER 12 HB1 SER 12 -6.462 9.071 -7.093
89 HG SER 12 HG SER 12 -7.529 8.575 -8.847
90 H ASN 13 HN ASN 13 -4.924 7.624 -4.839
91 HA ASN 13 HA ASN 13 -2.390 9.023 -5.625
92 1HB ASN 13 HB2 ASN 13 -4.431 9.342 -3.429
93 2HB ASN 13 HB1 ASN 13 -2.789 9.938 -3.187
94 1HD2 ASN 13 HD21 ASN 13 -1.973 11.536 -4.871
95 2HD2 ASN 13 HD22 ASN 13 -3.101 12.537 -5.649
96 H ASP 14 HN ASP 14 -1.238 6.941 -5.690
97 HA ASP 14 HA ASP 14 -1.171 5.133 -3.432
98 1HB ASP 14 HB2 ASP 14 -0.551 4.850 -5.964
99 2HB ASP 14 HB1 ASP 14 1.031 5.453 -5.468
100 H GLN 15 HN GLN 15 -0.412 5.839 -1.477
101 HA GLN 15 HA GLN 15 2.137 7.431 -1.427
102 1HB GLN 15 HB2 GLN 15 -0.486 7.609 -0.013
103 2HB GLN 15 HB1 GLN 15 0.951 7.980 0.941
104 1HG GLN 15 HG2 GLN 15 1.627 9.702 -0.600
105 2HG GLN 15 HG1 GLN 15 0.386 9.225 -1.761
106 1HE2 GLN 15 HE21 GLN 15 0.689 10.413 1.637
107 2HE2 GLN 15 HE22 GLN 15 -0.763 11.291 1.611
108 H CYS 16 HN CYS 16 1.983 4.519 -1.491
109 HA CYS 16 HA CYS 16 2.285 3.503 1.241
110 1HB CYS 16 HB2 CYS 16 1.491 2.431 -1.076
111 2HB CYS 16 HB1 CYS 16 3.205 2.028 -1.194
112 H CYS 17 HN CYS 17 4.293 2.444 1.979
113 HA CYS 17 HA CYS 17 6.663 4.091 1.455
114 1HB CYS 17 HB2 CYS 17 5.610 2.674 3.579
115 2HB CYS 17 HB1 CYS 17 6.932 1.630 3.058
116 H LYS 18 HN LYS 18 7.565 3.649 -0.568
117 HA LYS 18 HA LYS 18 7.714 1.014 -1.756
118 1HB LYS 18 HB2 LYS 18 8.475 3.774 -2.322
119 2HB LYS 18 HB1 LYS 18 9.703 2.639 -2.880
120 1HG LYS 18 HG2 LYS 18 6.806 2.080 -3.449
121 2HG LYS 18 HG1 LYS 18 7.681 3.237 -4.452
122 1HD LYS 18 HD2 LYS 18 8.652 1.555 -5.585
123 2HD LYS 18 HD1 LYS 18 9.333 0.918 -4.088
124 1HE LYS 18 HE2 LYS 18 7.915 -0.844 -4.225
125 2HE LYS 18 HE1 LYS 18 6.542 0.273 -4.104
126 1HZ LYS 18 HZ1 LYS 18 8.029 -0.401 -6.592
127 2HZ LYS 18 HZ2 LYS 18 6.758 0.722 -6.483
128 3HZ LYS 18 HZ3 LYS 18 6.466 -0.927 -6.198
129 H SER 19 HN SER 19 9.778 2.786 0.478
130 HA SER 19 HA SER 19 12.251 1.413 0.094
131 1HB SER 19 HB2 SER 19 12.610 2.156 2.494
132 2HB SER 19 HB1 SER 19 12.086 3.435 1.404
133 HG SER 19 HG SER 19 10.781 3.577 3.164
134 H SER 20 HN SER 20 9.310 0.466 1.829
135 HA SER 20 HA SER 20 10.675 -1.961 2.905
136 1HB SER 20 HB2 SER 20 8.018 -0.594 3.400
137 2HB SER 20 HB1 SER 20 8.442 -2.140 4.128
138 HG SER 20 HG SER 20 9.417 -0.972 5.570
139 H LYS 21 HN LYS 21 9.724 -1.452 -0.027
140 HA LYS 21 HA LYS 21 8.712 -2.699 -1.747
141 1HB LYS 21 HB2 LYS 21 9.653 -4.561 0.358
142 2HB LYS 21 HB1 LYS 21 8.480 -5.249 -0.764
143 1HG LYS 21 HG2 LYS 21 10.342 -5.632 -2.039
144 2HG LYS 21 HG1 LYS 21 10.088 -3.955 -2.520
145 1HD LYS 21 HD2 LYS 21 11.785 -3.155 -1.124
146 2HD LYS 21 HD1 LYS 21 11.720 -4.567 -0.069
147 1HE LYS 21 HE2 LYS 21 12.547 -5.926 -2.102
148 2HE LYS 21 HE1 LYS 21 12.943 -4.358 -2.832
149 1HZ LYS 21 HZ1 LYS 21 13.820 -5.230 -0.126
150 2HZ LYS 21 HZ2 LYS 21 14.252 -3.787 -0.914
151 3HZ LYS 21 HZ3 LYS 21 14.796 -5.280 -1.513
152 H LEU 22 HN LEU 22 6.912 -1.243 -0.092
153 HA LEU 22 HA LEU 22 4.564 -3.095 0.167
154 1HB LEU 22 HB2 LEU 22 5.313 -0.461 1.475
155 2HB LEU 22 HB1 LEU 22 3.741 -1.231 1.687
156 HG LEU 22 HG LEU 22 6.407 -2.516 2.350
157 1HD1 LEU 22 HD11 LEU 22 4.302 -1.177 4.062
158 2HD1 LEU 22 HD12 LEU 22 6.020 -0.792 3.961
159 3HD1 LEU 22 HD13 LEU 22 5.496 -2.294 4.723
160 1HD2 LEU 22 HD21 LEU 22 4.799 -4.119 3.573
161 2HD2 LEU 22 HD22 LEU 22 4.867 -4.245 1.816
162 3HD2 LEU 22 HD23 LEU 22 3.526 -3.399 2.587
163 H VAL 23 HN VAL 23 2.620 -2.500 -0.866
164 HA VAL 23 HA VAL 23 2.606 0.017 -2.478
165 HB VAL 23 HB VAL 23 1.715 -1.426 -4.390
166 1HG1 VAL 23 HG11 VAL 23 4.489 -2.331 -3.705
167 2HG1 VAL 23 HG12 VAL 23 4.186 -0.605 -3.909
168 3HG1 VAL 23 HG13 VAL 23 3.855 -1.721 -5.234
169 1HG2 VAL 23 HG21 VAL 23 2.955 -3.684 -2.787
170 2HG2 VAL 23 HG22 VAL 23 2.105 -3.804 -4.327
171 3HG2 VAL 23 HG23 VAL 23 1.216 -3.395 -2.860
172 H CYS 24 HN CYS 24 0.500 0.840 -2.834
173 HA CYS 24 HA CYS 24 -1.565 -0.085 -0.974
174 1HB CYS 24 HB2 CYS 24 -1.240 2.278 -1.327
175 2HB CYS 24 HB1 CYS 24 -1.364 2.092 -3.076
176 H SER 25 HN SER 25 -2.700 -1.914 -1.553
177 HA SER 25 HA SER 25 -3.339 -2.400 -4.422
178 1HB SER 25 HB2 SER 25 -3.118 -3.972 -1.902
179 2HB SER 25 HB1 SER 25 -4.283 -4.552 -3.089
180 HG SER 25 HG SER 25 -1.493 -4.265 -3.282
181 H ARG 26 HN ARG 26 -5.517 -2.683 -5.121
182 HA ARG 26 HA ARG 26 -7.505 -1.071 -3.688
183 1HB ARG 26 HB2 ARG 26 -7.106 -1.100 -6.165
184 2HB ARG 26 HB1 ARG 26 -7.715 -2.754 -6.206
185 1HG ARG 26 HG2 ARG 26 -9.753 -1.574 -4.884
186 2HG ARG 26 HG1 ARG 26 -9.191 -0.198 -5.834
187 1HD ARG 26 HD2 ARG 26 -10.765 -1.250 -7.265
188 2HD ARG 26 HD1 ARG 26 -9.210 -1.882 -7.842
189 HE ARG 26 HE ARG 26 -9.628 -3.902 -6.427
190 1HH1 ARG 26 HH21 ARG 26 -11.804 -2.841 -4.695
191 2HH1 ARG 26 HH22 ARG 26 -13.225 -3.515 -5.420
192 1HH2 ARG 26 HH11 ARG 26 -11.641 -4.312 -8.410
193 2HH2 ARG 26 HH12 ARG 26 -13.132 -4.350 -7.531
194 H LYS 27 HN LYS 27 -7.051 -4.540 -4.429
195 HA LYS 27 HA LYS 27 -9.603 -5.467 -3.527
196 1HB LYS 27 HB2 LYS 27 -6.856 -6.607 -3.920
197 2HB LYS 27 HB1 LYS 27 -8.072 -7.594 -3.108
198 1HG LYS 27 HG2 LYS 27 -9.622 -7.183 -5.029
199 2HG LYS 27 HG1 LYS 27 -8.314 -6.335 -5.855
200 1HD LYS 27 HD2 LYS 27 -7.126 -8.265 -6.261
201 2HD LYS 27 HD1 LYS 27 -7.718 -9.062 -4.804
202 1HE LYS 27 HE2 LYS 27 -8.979 -10.240 -6.338
203 2HE LYS 27 HE1 LYS 27 -10.051 -8.834 -6.192
204 1HZ LYS 27 HZ1 LYS 27 -8.823 -7.766 -7.994
205 2HZ LYS 27 HZ2 LYS 27 -9.492 -9.240 -8.509
206 3HZ LYS 27 HZ3 LYS 27 -7.834 -9.136 -8.154
207 H THR 28 HN THR 28 -6.489 -5.198 -1.754
208 HA THR 28 HA THR 28 -7.713 -6.023 0.781
209 HB THR 28 HB THR 28 -5.397 -5.313 1.610
210 HG1 THR 28 HG1 THR 28 -4.502 -5.280 -0.997
211 1HG2 THR 28 HG21 THR 28 -4.317 -7.253 0.616
212 2HG2 THR 28 HG22 THR 28 -5.472 -7.252 -0.717
213 3HG2 THR 28 HG23 THR 28 -6.013 -7.632 0.918
214 H ARG 29 HN ARG 29 -7.368 -3.044 -0.946
215 HA ARG 29 HA ARG 29 -8.103 -0.872 -0.447
216 1HB ARG 29 HB2 ARG 29 -9.109 -2.151 2.118
217 2HB ARG 29 HB1 ARG 29 -9.661 -0.637 1.412
218 1HG ARG 29 HG2 ARG 29 -9.817 -3.217 -0.145
219 2HG ARG 29 HG1 ARG 29 -11.091 -2.755 0.983
220 1HD ARG 29 HD2 ARG 29 -11.451 -0.651 -0.231
221 2HD ARG 29 HD1 ARG 29 -10.121 -1.047 -1.339
222 HE ARG 29 HE ARG 29 -11.445 -3.017 -2.084
223 1HH1 ARG 29 HH11 ARG 29 -13.248 -2.578 0.489
224 2HH1 ARG 29 HH12 ARG 29 -14.736 -2.159 -0.292
225 1HH2 ARG 29 HH21 ARG 29 -13.273 -1.632 -3.396
226 2HH2 ARG 29 HH22 ARG 29 -14.751 -1.623 -2.494
227 H TRP 30 HN TRP 30 -5.532 -2.278 0.927
228 HA TRP 30 HA TRP 30 -4.733 0.228 2.286
229 1HB TRP 30 HB2 TRP 30 -4.039 -1.025 4.322
230 2HB TRP 30 HB1 TRP 30 -5.774 -1.113 4.052
231 HD1 TRP 30 HD1 TRP 30 -2.806 -3.266 2.742
232 HE1 TRP 30 HE1 TRP 30 -3.399 -5.741 3.129
233 HE3 TRP 30 HE3 TRP 30 -7.357 -2.736 4.991
234 HZ2 TRP 30 HZ2 TRP 30 -5.523 -7.294 4.251
235 HZ3 TRP 30 HZ3 TRP 30 -8.642 -4.728 5.712
236 HH2 TRP 30 HH2 TRP 30 -7.732 -7.005 5.344
237 H CYS 31 HN CYS 31 -2.320 -0.165 3.122
238 HA CYS 31 HA CYS 31 -0.729 -0.828 0.784
239 1HB CYS 31 HB2 CYS 31 -0.385 0.219 3.536
240 2HB CYS 31 HB1 CYS 31 1.029 -0.589 2.857
241 H LYS 32 HN LYS 32 0.172 -2.802 0.278
242 HA LYS 32 HA LYS 32 0.535 -4.820 2.451
243 1HB LYS 32 HB2 LYS 32 -0.598 -6.499 1.065
244 2HB LYS 32 HB1 LYS 32 -1.674 -5.131 1.338
245 1HG LYS 32 HG2 LYS 32 -1.466 -4.356 -0.858
246 2HG LYS 32 HG1 LYS 32 0.080 -5.167 -1.105
247 1HD LYS 32 HD2 LYS 32 -1.807 -7.197 -0.502
248 2HD LYS 32 HD1 LYS 32 -2.569 -6.136 -1.687
249 1HE LYS 32 HE2 LYS 32 -1.364 -7.243 -3.266
250 2HE LYS 32 HE1 LYS 32 0.070 -6.430 -2.609
251 1HZ LYS 32 HZ1 LYS 32 0.325 -8.841 -2.531
252 2HZ LYS 32 HZ2 LYS 32 -1.089 -8.979 -1.599
253 3HZ LYS 32 HZ3 LYS 32 0.278 -8.192 -0.965
254 H TYR 33 HN TYR 33 2.037 -6.555 1.815
255 HA TYR 33 HA TYR 33 4.402 -5.670 0.521
256 1HB TYR 33 HB2 TYR 33 5.094 -7.989 0.757
257 2HB TYR 33 HB1 TYR 33 4.113 -7.566 2.157
258 HD1 TYR 33 HD1 TYR 33 4.231 -9.484 -0.993
259 HD2 TYR 33 HD2 TYR 33 1.868 -8.494 2.458
260 HE1 TYR 33 HE1 TYR 33 2.680 -11.344 -1.520
261 HE2 TYR 33 HE2 TYR 33 0.318 -10.353 1.928
262 HH TYR 33 HH TYR 33 0.722 -12.728 0.475
263 H GLN 34 HN GLN 34 5.213 -5.977 -1.587
264 HA GLN 34 HA GLN 34 3.182 -6.406 -3.689
265 1HB GLN 34 HB2 GLN 34 4.857 -4.540 -3.687
266 2HB GLN 34 HB1 GLN 34 6.141 -5.740 -3.852
267 1HG GLN 34 HG2 GLN 34 5.602 -6.224 -6.037
268 2HG GLN 34 HG1 GLN 34 3.886 -5.895 -5.797
269 1HE2 GLN 34 HE21 GLN 34 3.244 -4.058 -6.935
270 2HE2 GLN 34 HE22 GLN 34 4.206 -2.683 -7.190
271 H ILE 35 HN ILE 35 3.013 -8.270 -4.876
272 HA ILE 35 HA ILE 35 4.935 -10.483 -4.308
273 HB ILE 35 HB ILE 35 2.428 -10.671 -3.956
274 1HG1 ILE 35 HG12 ILE 35 3.362 -12.604 -6.078
275 2HG1 ILE 35 HG11 ILE 35 4.094 -12.595 -4.474
276 1HG2 ILE 35 HG21 ILE 35 0.965 -10.840 -5.848
277 2HG2 ILE 35 HG22 ILE 35 2.317 -10.817 -6.980
278 3HG2 ILE 35 HG23 ILE 35 1.896 -9.360 -6.081
279 1HD1 ILE 35 HD11 ILE 35 1.558 -12.631 -3.686
280 2HD1 ILE 35 HD12 ILE 35 2.384 -14.124 -4.133
281 3HD1 ILE 35 HD13 ILE 35 1.307 -13.333 -5.284
Start of MODEL 6
1 1H GLU 1 HT1 GLU 1 2.991 10.522 8.844
2 2H GLU 1 HT2 GLU 1 1.914 9.230 8.613
3 3H GLU 1 HT3 GLU 1 2.228 10.314 7.345
4 HA GLU 1 HA GLU 1 4.563 9.566 7.289
5 1HB GLU 1 HB2 GLU 1 4.331 8.962 9.778
6 2HB GLU 1 HB1 GLU 1 3.577 7.463 9.234
7 1HG GLU 1 HG2 GLU 1 5.537 6.668 8.260
8 2HG GLU 1 HG1 GLU 1 6.206 8.286 8.042
9 H CYS 2 HN CYS 2 5.131 7.573 6.030
10 HA CYS 2 HA CYS 2 3.100 6.804 4.170
11 1HB CYS 2 HB2 CYS 2 4.824 5.276 3.353
12 2HB CYS 2 HB1 CYS 2 5.576 6.801 3.813
13 H LEU 3 HN LEU 3 2.195 4.627 3.849
14 HA LEU 3 HA LEU 3 1.408 3.371 6.412
15 1HB LEU 3 HB2 LEU 3 0.537 3.082 3.520
16 2HB LEU 3 HB1 LEU 3 -0.173 2.157 4.841
17 HG LEU 3 HG LEU 3 -0.117 5.186 4.651
18 1HD1 LEU 3 HD11 LEU 3 -2.753 4.278 4.746
19 2HD1 LEU 3 HD12 LEU 3 -1.955 3.151 3.648
20 3HD1 LEU 3 HD13 LEU 3 -1.913 4.883 3.317
21 1HD2 LEU 3 HD21 LEU 3 -0.141 4.713 6.953
22 2HD2 LEU 3 HD22 LEU 3 -1.075 3.233 6.737
23 3HD2 LEU 3 HD23 LEU 3 -1.860 4.803 6.568
24 H GLU 4 HN GLU 4 2.297 1.479 7.115
25 HA GLU 4 HA GLU 4 4.433 0.168 5.635
26 1HB GLU 4 HB2 GLU 4 2.986 -0.126 8.245
27 2HB GLU 4 HB1 GLU 4 3.967 -1.480 7.683
28 1HG GLU 4 HG2 GLU 4 5.890 0.100 7.393
29 2HG GLU 4 HG1 GLU 4 4.900 1.372 8.110
30 H ILE 5 HN ILE 5 4.180 -2.462 5.731
31 HA ILE 5 HA ILE 5 2.277 -3.151 3.685
32 HB ILE 5 HB ILE 5 4.592 -4.148 4.548
33 1HG1 ILE 5 HG12 ILE 5 3.136 -4.774 2.512
34 2HG1 ILE 5 HG11 ILE 5 4.249 -5.997 3.116
35 1HG2 ILE 5 HG21 ILE 5 4.296 -6.232 5.804
36 2HG2 ILE 5 HG22 ILE 5 2.561 -5.938 5.916
37 3HG2 ILE 5 HG23 ILE 5 3.692 -4.864 6.738
38 1HD1 ILE 5 HD11 ILE 5 1.685 -6.159 4.477
39 2HD1 ILE 5 HD12 ILE 5 2.556 -7.407 3.589
40 3HD1 ILE 5 HD13 ILE 5 1.489 -6.296 2.731
41 H PHE 6 HN PHE 6 0.425 -4.564 3.860
42 HA PHE 6 HA PHE 6 -1.618 -5.263 4.792
43 1HB PHE 6 HB2 PHE 6 0.426 -5.710 6.968
44 2HB PHE 6 HB1 PHE 6 -1.267 -6.115 7.236
45 HD1 PHE 6 HD1 PHE 6 -2.173 -7.135 4.657
46 HD2 PHE 6 HD2 PHE 6 1.591 -7.713 6.649
47 HE1 PHE 6 HE1 PHE 6 -1.852 -9.268 3.435
48 HE2 PHE 6 HE2 PHE 6 1.909 -9.845 5.425
49 HZ PHE 6 HZ PHE 6 0.189 -10.623 3.819
50 H LYS 7 HN LYS 7 -1.096 -2.401 4.844
51 HA LYS 7 HA LYS 7 -2.501 -1.609 7.378
52 1HB LYS 7 HB2 LYS 7 -0.067 -0.827 6.614
53 2HB LYS 7 HB1 LYS 7 -0.995 0.318 5.644
54 1HG LYS 7 HG2 LYS 7 -1.503 1.560 7.455
55 2HG LYS 7 HG1 LYS 7 -2.043 0.141 8.351
56 1HD LYS 7 HD2 LYS 7 0.868 0.232 8.019
57 2HD LYS 7 HD1 LYS 7 0.237 1.619 8.906
58 1HE LYS 7 HE2 LYS 7 0.029 0.316 10.745
59 2HE LYS 7 HE1 LYS 7 -1.123 -0.711 9.870
60 1HZ LYS 7 HZ1 LYS 7 0.783 -2.020 10.512
61 2HZ LYS 7 HZ2 LYS 7 1.844 -0.913 9.780
62 3HZ LYS 7 HZ3 LYS 7 0.782 -1.835 8.826
63 H ALA 8 HN ALA 8 -4.489 -0.641 7.126
64 HA ALA 8 HA ALA 8 -6.009 -0.709 4.766
65 1HB ALA 8 HB1 ALA 8 -6.157 1.205 7.120
66 2HB ALA 8 HB2 ALA 8 -6.878 -0.403 7.051
67 3HB ALA 8 HB3 ALA 8 -7.477 0.878 5.996
68 H CYS 9 HN CYS 9 -5.827 0.433 2.880
69 HA CYS 9 HA CYS 9 -4.776 3.238 2.984
70 1HB CYS 9 HB2 CYS 9 -3.086 1.410 2.376
71 2HB CYS 9 HB1 CYS 9 -4.026 1.173 0.902
72 H ASN 10 HN ASN 10 -5.279 4.431 0.909
73 HA ASN 10 HA ASN 10 -7.976 3.646 -0.115
74 1HB ASN 10 HB2 ASN 10 -6.627 6.079 0.714
75 2HB ASN 10 HB1 ASN 10 -7.263 6.256 -0.921
76 1HD2 ASN 10 HD21 ASN 10 -9.349 7.098 -0.884
77 2HD2 ASN 10 HD22 ASN 10 -10.520 6.754 0.297
78 HA PRO 11 HA PRO 11 -6.400 2.914 -4.164
79 1HB PRO 11 HB2 PRO 11 -8.453 3.837 -5.726
80 2HB PRO 11 HB1 PRO 11 -8.544 2.328 -4.797
81 1HG PRO 11 HG2 PRO 11 -9.676 5.008 -4.169
82 2HG PRO 11 HG1 PRO 11 -10.367 3.401 -3.903
83 1HD PRO 11 HD2 PRO 11 -9.209 4.889 -1.933
84 2HD PRO 11 HD1 PRO 11 -9.267 3.113 -1.919
85 H SER 12 HN SER 12 -8.070 6.106 -4.120
86 HA SER 12 HA SER 12 -6.177 7.260 -6.037
87 1HB SER 12 HB2 SER 12 -8.618 7.819 -5.845
88 2HB SER 12 HB1 SER 12 -8.294 8.537 -4.271
89 HG SER 12 HG SER 12 -8.105 10.212 -5.634
90 H ASN 13 HN ASN 13 -6.804 7.507 -2.532
91 HA ASN 13 HA ASN 13 -4.535 9.372 -2.152
92 1HB ASN 13 HB2 ASN 13 -6.809 8.241 -0.559
93 2HB ASN 13 HB1 ASN 13 -5.408 8.847 0.324
94 1HD2 ASN 13 HD21 ASN 13 -7.860 9.834 -2.109
95 2HD2 ASN 13 HD22 ASN 13 -7.759 11.492 -1.760
96 H ASP 14 HN ASP 14 -3.311 7.259 -3.169
97 HA ASP 14 HA ASP 14 -2.704 5.129 -1.287
98 1HB ASP 14 HB2 ASP 14 -1.044 4.509 -3.008
99 2HB ASP 14 HB1 ASP 14 -2.592 4.897 -3.752
100 H GLN 15 HN GLN 15 -1.439 5.384 0.484
101 HA GLN 15 HA GLN 15 0.773 7.416 0.403
102 1HB GLN 15 HB2 GLN 15 -1.177 6.602 2.576
103 2HB GLN 15 HB1 GLN 15 0.237 7.609 2.885
104 1HG GLN 15 HG2 GLN 15 -1.523 8.444 0.631
105 2HG GLN 15 HG1 GLN 15 -2.171 8.649 2.258
106 1HE2 GLN 15 HE21 GLN 15 -0.641 9.836 3.839
107 2HE2 GLN 15 HE22 GLN 15 0.325 11.077 3.201
108 H CYS 16 HN CYS 16 0.828 4.437 -0.169
109 HA CYS 16 HA CYS 16 1.921 2.998 2.062
110 1HB CYS 16 HB2 CYS 16 1.072 2.399 -0.428
111 2HB CYS 16 HB1 CYS 16 2.811 2.398 -0.718
112 H CYS 17 HN CYS 17 4.192 2.352 2.357
113 HA CYS 17 HA CYS 17 6.045 4.607 2.024
114 1HB CYS 17 HB2 CYS 17 5.635 2.575 3.857
115 2HB CYS 17 HB1 CYS 17 7.077 2.027 3.003
116 H LYS 18 HN LYS 18 6.686 4.797 -0.136
117 HA LYS 18 HA LYS 18 7.210 2.602 -1.915
118 1HB LYS 18 HB2 LYS 18 8.252 4.379 -3.300
119 2HB LYS 18 HB1 LYS 18 6.707 4.899 -2.634
120 1HG LYS 18 HG2 LYS 18 8.462 5.684 -0.661
121 2HG LYS 18 HG1 LYS 18 9.415 5.941 -2.123
122 1HD LYS 18 HD2 LYS 18 7.964 7.541 -2.958
123 2HD LYS 18 HD1 LYS 18 6.569 6.865 -2.117
124 1HE LYS 18 HE2 LYS 18 7.023 8.864 -0.919
125 2HE LYS 18 HE1 LYS 18 7.816 7.616 0.062
126 1HZ LYS 18 HZ1 LYS 18 9.305 9.492 -0.435
127 2HZ LYS 18 HZ2 LYS 18 9.138 9.181 -2.096
128 3HZ LYS 18 HZ3 LYS 18 9.881 8.035 -1.084
129 H SER 19 HN SER 19 9.231 4.264 0.460
130 HA SER 19 HA SER 19 11.817 3.439 -0.431
131 1HB SER 19 HB2 SER 19 11.279 5.128 1.328
132 2HB SER 19 HB1 SER 19 10.742 3.826 2.385
133 HG SER 19 HG SER 19 13.290 4.614 1.656
134 H SER 20 HN SER 20 9.306 1.740 1.406
135 HA SER 20 HA SER 20 11.093 -0.580 1.895
136 1HB SER 20 HB2 SER 20 9.459 0.527 3.555
137 2HB SER 20 HB1 SER 20 8.178 -0.243 2.625
138 HG SER 20 HG SER 20 8.817 -2.162 3.316
139 H LYS 21 HN LYS 21 9.760 0.296 -0.842
140 HA LYS 21 HA LYS 21 8.874 -0.809 -2.723
141 1HB LYS 21 HB2 LYS 21 10.755 -2.388 -1.474
142 2HB LYS 21 HB1 LYS 21 9.378 -3.483 -1.576
143 1HG LYS 21 HG2 LYS 21 10.683 -3.742 -3.597
144 2HG LYS 21 HG1 LYS 21 9.188 -2.908 -4.020
145 1HD LYS 21 HD2 LYS 21 10.398 -1.214 -4.872
146 2HD LYS 21 HD1 LYS 21 11.069 -0.909 -3.271
147 1HE LYS 21 HE2 LYS 21 13.002 -1.325 -4.561
148 2HE LYS 21 HE1 LYS 21 12.672 -2.922 -3.861
149 1HZ LYS 21 HZ1 LYS 21 11.685 -1.963 -6.500
150 2HZ LYS 21 HZ2 LYS 21 11.392 -3.495 -5.824
151 3HZ LYS 21 HZ3 LYS 21 12.968 -3.048 -6.275
152 H LEU 22 HN LEU 22 6.842 -0.046 -1.034
153 HA LEU 22 HA LEU 22 4.996 -2.420 -1.043
154 1HB LEU 22 HB2 LEU 22 5.264 -0.128 0.933
155 2HB LEU 22 HB1 LEU 22 3.965 -1.319 0.976
156 HG LEU 22 HG LEU 22 6.914 -2.010 1.126
157 1HD1 LEU 22 HD11 LEU 22 6.130 -0.740 3.114
158 2HD1 LEU 22 HD12 LEU 22 6.514 -2.415 3.510
159 3HD1 LEU 22 HD13 LEU 22 4.833 -1.915 3.331
160 1HD2 LEU 22 HD21 LEU 22 6.211 -4.127 0.803
161 2HD2 LEU 22 HD22 LEU 22 4.552 -3.557 0.625
162 3HD2 LEU 22 HD23 LEU 22 5.168 -3.992 2.219
163 H VAL 23 HN VAL 23 2.897 -2.010 -1.849
164 HA VAL 23 HA VAL 23 2.306 0.790 -2.760
165 HB VAL 23 HB VAL 23 1.336 -0.341 -4.833
166 1HG1 VAL 23 HG11 VAL 23 3.907 -1.045 -5.488
167 2HG1 VAL 23 HG12 VAL 23 4.167 0.015 -4.103
168 3HG1 VAL 23 HG13 VAL 23 3.282 0.604 -5.510
169 1HG2 VAL 23 HG21 VAL 23 1.889 -2.594 -5.334
170 2HG2 VAL 23 HG22 VAL 23 1.348 -2.642 -3.657
171 3HG2 VAL 23 HG23 VAL 23 3.072 -2.683 -4.029
172 H CYS 24 HN CYS 24 0.101 1.373 -2.677
173 HA CYS 24 HA CYS 24 -1.605 -0.187 -0.877
174 1HB CYS 24 HB2 CYS 24 -1.831 2.399 -2.433
175 2HB CYS 24 HB1 CYS 24 -3.178 1.773 -1.482
176 H SER 25 HN SER 25 -2.612 -1.991 -1.728
177 HA SER 25 HA SER 25 -3.625 -1.885 -4.546
178 1HB SER 25 HB2 SER 25 -2.661 -3.972 -2.640
179 2HB SER 25 HB1 SER 25 -3.862 -4.460 -3.832
180 HG SER 25 HG SER 25 -2.434 -4.196 -5.376
181 H ARG 26 HN ARG 26 -5.814 -1.651 -4.840
182 HA ARG 26 HA ARG 26 -7.684 -1.492 -2.645
183 1HB ARG 26 HB2 ARG 26 -7.741 -0.393 -4.969
184 2HB ARG 26 HB1 ARG 26 -8.322 -1.946 -5.572
185 1HG ARG 26 HG2 ARG 26 -10.180 -1.845 -3.892
186 2HG ARG 26 HG1 ARG 26 -9.640 -0.225 -3.450
187 1HD ARG 26 HD2 ARG 26 -9.834 -0.176 -6.261
188 2HD ARG 26 HD1 ARG 26 -11.284 -1.034 -5.703
189 HE ARG 26 HE ARG 26 -10.466 1.568 -4.469
190 1HH1 ARG 26 HH21 ARG 26 -12.290 1.219 -7.025
191 2HH1 ARG 26 HH22 ARG 26 -13.839 1.498 -6.301
192 1HH2 ARG 26 HH11 ARG 26 -12.673 1.179 -3.045
193 2HH2 ARG 26 HH12 ARG 26 -14.056 1.475 -4.045
194 H LYS 27 HN LYS 27 -6.770 -4.096 -4.881
195 HA LYS 27 HA LYS 27 -8.923 -5.904 -4.430
196 1HB LYS 27 HB2 LYS 27 -7.282 -6.214 -6.189
197 2HB LYS 27 HB1 LYS 27 -5.968 -6.291 -5.017
198 1HG LYS 27 HG2 LYS 27 -6.600 -8.547 -5.825
199 2HG LYS 27 HG1 LYS 27 -6.890 -8.377 -4.095
200 1HD LYS 27 HD2 LYS 27 -9.145 -8.567 -4.326
201 2HD LYS 27 HD1 LYS 27 -9.172 -7.591 -5.794
202 1HE LYS 27 HE2 LYS 27 -9.823 -9.866 -6.386
203 2HE LYS 27 HE1 LYS 27 -8.195 -9.584 -7.030
204 1HZ LYS 27 HZ1 LYS 27 -8.680 -10.718 -4.330
205 2HZ LYS 27 HZ2 LYS 27 -7.220 -10.681 -5.199
206 3HZ LYS 27 HZ3 LYS 27 -8.487 -11.692 -5.705
207 H THR 28 HN THR 28 -5.807 -5.566 -2.687
208 HA THR 28 HA THR 28 -6.592 -7.564 -0.669
209 HB THR 28 HB THR 28 -4.345 -6.631 0.306
210 HG1 THR 28 HG1 THR 28 -3.890 -4.857 -0.756
211 1HG2 THR 28 HG21 THR 28 -3.647 -7.736 -2.292
212 2HG2 THR 28 HG22 THR 28 -4.991 -8.605 -1.550
213 3HG2 THR 28 HG23 THR 28 -3.462 -8.444 -0.686
214 H ARG 29 HN ARG 29 -6.985 -4.162 -1.106
215 HA ARG 29 HA ARG 29 -8.053 -2.558 0.247
216 1HB ARG 29 HB2 ARG 29 -9.174 -4.857 0.988
217 2HB ARG 29 HB1 ARG 29 -8.297 -4.532 2.484
218 1HG ARG 29 HG2 ARG 29 -9.414 -2.068 1.860
219 2HG ARG 29 HG1 ARG 29 -10.677 -3.211 1.401
220 1HD ARG 29 HD2 ARG 29 -9.272 -3.504 4.059
221 2HD ARG 29 HD1 ARG 29 -10.632 -2.378 3.875
222 HE ARG 29 HE ARG 29 -12.080 -4.236 3.487
223 1HH1 ARG 29 HH11 ARG 29 -10.054 -5.521 5.443
224 2HH1 ARG 29 HH12 ARG 29 -9.784 -7.043 4.661
225 1HH2 ARG 29 HH21 ARG 29 -11.179 -6.038 1.640
226 2HH2 ARG 29 HH22 ARG 29 -10.424 -7.337 2.501
227 H TRP 30 HN TRP 30 -5.055 -3.549 0.576
228 HA TRP 30 HA TRP 30 -4.404 -1.564 2.623
229 1HB TRP 30 HB2 TRP 30 -3.220 -3.237 4.081
230 2HB TRP 30 HB1 TRP 30 -4.966 -3.435 4.060
231 HD1 TRP 30 HD1 TRP 30 -2.090 -4.810 1.825
232 HE1 TRP 30 HE1 TRP 30 -2.474 -7.340 1.519
233 HE3 TRP 30 HE3 TRP 30 -6.336 -5.396 4.597
234 HZ2 TRP 30 HZ2 TRP 30 -4.336 -9.348 2.344
235 HZ3 TRP 30 HZ3 TRP 30 -7.393 -7.625 4.820
236 HH2 TRP 30 HH2 TRP 30 -6.400 -9.601 3.698
237 H CYS 31 HN CYS 31 -1.877 -1.755 3.059
238 HA CYS 31 HA CYS 31 -0.542 -1.434 0.522
239 1HB CYS 31 HB2 CYS 31 0.052 -1.306 3.422
240 2HB CYS 31 HB1 CYS 31 1.441 -1.637 2.387
241 H LYS 32 HN LYS 32 0.629 -2.913 -0.658
242 HA LYS 32 HA LYS 32 1.296 -5.553 0.592
243 1HB LYS 32 HB2 LYS 32 -0.882 -5.465 -0.751
244 2HB LYS 32 HB1 LYS 32 0.117 -5.172 -2.173
245 1HG LYS 32 HG2 LYS 32 1.420 -7.309 -1.221
246 2HG LYS 32 HG1 LYS 32 -0.168 -7.648 -0.533
247 1HD LYS 32 HD2 LYS 32 -1.156 -7.312 -2.823
248 2HD LYS 32 HD1 LYS 32 0.485 -7.188 -3.456
249 1HE LYS 32 HE2 LYS 32 0.246 -9.461 -3.734
250 2HE LYS 32 HE1 LYS 32 0.681 -9.506 -2.014
251 1HZ LYS 32 HZ1 LYS 32 -2.080 -9.286 -3.102
252 2HZ LYS 32 HZ2 LYS 32 -1.667 -9.294 -1.453
253 3HZ LYS 32 HZ3 LYS 32 -1.403 -10.676 -2.406
254 H TYR 33 HN TYR 33 3.217 -6.483 -0.229
255 HA TYR 33 HA TYR 33 5.293 -4.831 -1.191
256 1HB TYR 33 HB2 TYR 33 4.872 -7.498 -0.407
257 2HB TYR 33 HB1 TYR 33 5.548 -7.606 -2.032
258 HD1 TYR 33 HD1 TYR 33 7.679 -6.292 -2.551
259 HD2 TYR 33 HD2 TYR 33 6.240 -6.948 1.442
260 HE1 TYR 33 HE1 TYR 33 9.927 -5.766 -1.656
261 HE2 TYR 33 HE2 TYR 33 8.490 -6.422 2.339
262 HH TYR 33 HH TYR 33 11.162 -6.543 0.786
263 H GLN 34 HN GLN 34 6.207 -4.521 -3.282
264 HA GLN 34 HA GLN 34 4.309 -4.721 -5.528
265 1HB GLN 34 HB2 GLN 34 5.812 -2.745 -4.940
266 2HB GLN 34 HB1 GLN 34 7.173 -3.724 -5.490
267 1HG GLN 34 HG2 GLN 34 5.399 -4.012 -7.572
268 2HG GLN 34 HG1 GLN 34 5.093 -2.351 -7.063
269 1HE2 GLN 34 HE21 GLN 34 6.780 -0.779 -7.394
270 2HE2 GLN 34 HE22 GLN 34 8.209 -1.139 -8.236
271 H ILE 35 HN ILE 35 4.506 -7.230 -5.266
272 HA ILE 35 HA ILE 35 6.962 -8.451 -6.330
273 HB ILE 35 HB ILE 35 5.663 -10.539 -6.019
274 1HG1 ILE 35 HG12 ILE 35 3.362 -8.836 -5.046
275 2HG1 ILE 35 HG11 ILE 35 3.461 -9.364 -6.725
276 1HG2 ILE 35 HG21 ILE 35 5.596 -10.455 -3.664
277 2HG2 ILE 35 HG22 ILE 35 5.082 -8.768 -3.649
278 3HG2 ILE 35 HG23 ILE 35 6.739 -9.180 -4.088
279 1HD1 ILE 35 HD11 ILE 35 3.977 -11.703 -5.402
280 2HD1 ILE 35 HD12 ILE 35 2.381 -11.218 -5.974
281 3HD1 ILE 35 HD13 ILE 35 2.844 -10.923 -4.298
Start of MODEL 7
1 1H GLU 1 HT1 GLU 1 2.703 12.228 4.293
2 2H GLU 1 HT2 GLU 1 4.226 11.869 3.630
3 3H GLU 1 HT3 GLU 1 4.114 12.747 5.080
4 HA GLU 1 HA GLU 1 4.740 10.481 5.587
5 1HB GLU 1 HB2 GLU 1 2.789 12.025 6.701
6 2HB GLU 1 HB1 GLU 1 1.877 10.553 6.368
7 1HG GLU 1 HG2 GLU 1 2.722 9.920 8.401
8 2HG GLU 1 HG1 GLU 1 4.119 9.466 7.426
9 H CYS 2 HN CYS 2 4.933 8.703 4.247
10 HA CYS 2 HA CYS 2 2.644 7.813 2.595
11 1HB CYS 2 HB2 CYS 2 4.328 6.319 1.622
12 2HB CYS 2 HB1 CYS 2 4.974 7.954 1.730
13 H LEU 3 HN LEU 3 2.064 5.456 2.625
14 HA LEU 3 HA LEU 3 1.749 4.509 5.418
15 1HB LEU 3 HB2 LEU 3 0.619 3.649 2.734
16 2HB LEU 3 HB1 LEU 3 0.169 2.913 4.271
17 HG LEU 3 HG LEU 3 -0.145 5.859 3.615
18 1HD1 LEU 3 HD11 LEU 3 -1.641 4.298 2.310
19 2HD1 LEU 3 HD12 LEU 3 -2.507 5.407 3.373
20 3HD1 LEU 3 HD13 LEU 3 -2.285 3.724 3.850
21 1HD2 LEU 3 HD21 LEU 3 -1.798 5.340 5.704
22 2HD2 LEU 3 HD22 LEU 3 -0.137 5.900 5.907
23 3HD2 LEU 3 HD23 LEU 3 -0.512 4.182 6.041
24 H GLU 4 HN GLU 4 3.146 3.004 6.228
25 HA GLU 4 HA GLU 4 5.168 1.705 4.614
26 1HB GLU 4 HB2 GLU 4 4.356 1.986 7.408
27 2HB GLU 4 HB1 GLU 4 4.958 0.365 7.061
28 1HG GLU 4 HG2 GLU 4 6.869 1.677 5.796
29 2HG GLU 4 HG1 GLU 4 6.380 2.997 6.859
30 H ILE 5 HN ILE 5 5.346 -0.881 5.191
31 HA ILE 5 HA ILE 5 3.336 -2.174 3.598
32 HB ILE 5 HB ILE 5 5.703 -2.902 3.903
33 1HG1 ILE 5 HG12 ILE 5 5.102 -5.384 4.403
34 2HG1 ILE 5 HG11 ILE 5 3.444 -4.802 4.533
35 1HG2 ILE 5 HG21 ILE 5 6.083 -2.506 6.235
36 2HG2 ILE 5 HG22 ILE 5 6.167 -4.254 6.020
37 3HG2 ILE 5 HG23 ILE 5 4.717 -3.520 6.700
38 1HD1 ILE 5 HD11 ILE 5 5.267 -4.469 2.131
39 2HD1 ILE 5 HD12 ILE 5 3.635 -3.811 2.262
40 3HD1 ILE 5 HD13 ILE 5 3.883 -5.556 2.244
41 H PHE 6 HN PHE 6 1.669 -3.627 4.239
42 HA PHE 6 HA PHE 6 -0.103 -4.406 5.581
43 1HB PHE 6 HB2 PHE 6 1.957 -4.019 7.782
44 2HB PHE 6 HB1 PHE 6 0.548 -5.074 7.848
45 HD1 PHE 6 HD1 PHE 6 0.510 -6.372 5.241
46 HD2 PHE 6 HD2 PHE 6 3.862 -5.384 7.741
47 HE1 PHE 6 HE1 PHE 6 1.828 -8.190 4.192
48 HE2 PHE 6 HE2 PHE 6 5.179 -7.204 6.691
49 HZ PHE 6 HZ PHE 6 4.163 -8.606 4.916
50 H LYS 7 HN LYS 7 0.125 -1.500 5.085
51 HA LYS 7 HA LYS 7 -1.109 -0.418 7.598
52 1HB LYS 7 HB2 LYS 7 0.476 0.777 5.319
53 2HB LYS 7 HB1 LYS 7 -0.490 1.794 6.386
54 1HG LYS 7 HG2 LYS 7 1.419 -0.201 7.573
55 2HG LYS 7 HG1 LYS 7 2.029 1.341 6.975
56 1HD LYS 7 HD2 LYS 7 0.886 2.574 8.573
57 2HD LYS 7 HD1 LYS 7 -0.377 1.357 8.759
58 1HE LYS 7 HE2 LYS 7 2.238 0.292 9.512
59 2HE LYS 7 HE1 LYS 7 1.803 1.717 10.475
60 1HZ LYS 7 HZ1 LYS 7 -0.321 0.763 10.964
61 2HZ LYS 7 HZ2 LYS 7 0.867 -0.385 11.361
62 3HZ LYS 7 HZ3 LYS 7 -0.038 -0.554 9.933
63 H ALA 8 HN ALA 8 -3.282 -0.097 7.472
64 HA ALA 8 HA ALA 8 -4.986 -0.735 5.374
65 1HB ALA 8 HB1 ALA 8 -5.667 1.634 7.060
66 2HB ALA 8 HB2 ALA 8 -5.269 0.133 7.897
67 3HB ALA 8 HB3 ALA 8 -6.607 0.175 6.748
68 H CYS 9 HN CYS 9 -5.317 0.116 3.372
69 HA CYS 9 HA CYS 9 -4.850 3.043 2.932
70 1HB CYS 9 HB2 CYS 9 -3.610 2.485 0.899
71 2HB CYS 9 HB1 CYS 9 -2.882 1.639 2.262
72 H ASN 10 HN ASN 10 -5.692 3.512 0.524
73 HA ASN 10 HA ASN 10 -8.298 2.062 0.165
74 1HB ASN 10 HB2 ASN 10 -7.543 4.973 0.236
75 2HB ASN 10 HB1 ASN 10 -8.953 4.464 -0.693
76 1HD2 ASN 10 HD21 ASN 10 -8.036 5.495 2.372
77 2HD2 ASN 10 HD22 ASN 10 -9.324 4.843 3.265
78 HA PRO 11 HA PRO 11 -7.079 1.489 -4.029
79 1HB PRO 11 HB2 PRO 11 -9.530 1.442 -5.255
80 2HB PRO 11 HB1 PRO 11 -8.918 0.104 -4.262
81 1HG PRO 11 HG2 PRO 11 -10.855 2.252 -3.557
82 2HG PRO 11 HG1 PRO 11 -10.866 0.534 -3.124
83 1HD PRO 11 HD2 PRO 11 -10.070 2.500 -1.418
84 2HD PRO 11 HD1 PRO 11 -9.446 0.837 -1.351
85 H SER 12 HN SER 12 -9.427 4.085 -3.353
86 HA SER 12 HA SER 12 -8.896 5.532 -5.837
87 1HB SER 12 HB2 SER 12 -10.400 5.983 -3.269
88 2HB SER 12 HB1 SER 12 -10.169 7.321 -4.391
89 HG SER 12 HG SER 12 -11.745 6.485 -5.485
90 H ASN 13 HN ASN 13 -7.450 5.419 -2.640
91 HA ASN 13 HA ASN 13 -5.693 7.725 -3.406
92 1HB ASN 13 HB2 ASN 13 -7.532 7.397 -1.227
93 2HB ASN 13 HB1 ASN 13 -5.899 7.463 -0.567
94 1HD2 ASN 13 HD21 ASN 13 -4.544 9.385 -1.239
95 2HD2 ASN 13 HD22 ASN 13 -5.327 10.839 -1.631
96 H ASP 14 HN ASP 14 -4.208 6.002 -4.211
97 HA ASP 14 HA ASP 14 -3.086 4.066 -2.321
98 1HB ASP 14 HB2 ASP 14 -3.073 3.418 -4.596
99 2HB ASP 14 HB1 ASP 14 -2.537 5.007 -5.140
100 H GLN 15 HN GLN 15 -2.054 5.083 -0.585
101 HA GLN 15 HA GLN 15 0.018 7.152 -1.256
102 1HB GLN 15 HB2 GLN 15 -1.764 6.733 1.162
103 2HB GLN 15 HB1 GLN 15 -0.462 7.922 1.108
104 1HG GLN 15 HG2 GLN 15 -1.856 8.393 -1.251
105 2HG GLN 15 HG1 GLN 15 -3.132 8.038 -0.086
106 1HE2 GLN 15 HE21 GLN 15 -0.465 10.272 -0.816
107 2HE2 GLN 15 HE22 GLN 15 -0.923 11.456 0.311
108 H CYS 16 HN CYS 16 0.496 4.242 -1.253
109 HA CYS 16 HA CYS 16 1.775 3.473 1.245
110 1HB CYS 16 HB2 CYS 16 1.986 2.441 -1.606
111 2HB CYS 16 HB1 CYS 16 2.611 1.601 -0.188
112 H CYS 17 HN CYS 17 4.140 3.159 1.478
113 HA CYS 17 HA CYS 17 5.672 5.466 0.665
114 1HB CYS 17 HB2 CYS 17 6.467 2.783 1.844
115 2HB CYS 17 HB1 CYS 17 7.516 4.199 1.778
116 H LYS 18 HN LYS 18 6.646 5.780 -1.278
117 HA LYS 18 HA LYS 18 6.828 3.657 -3.279
118 1HB LYS 18 HB2 LYS 18 7.723 6.549 -3.120
119 2HB LYS 18 HB1 LYS 18 7.893 5.564 -4.574
120 1HG LYS 18 HG2 LYS 18 5.283 5.091 -3.972
121 2HG LYS 18 HG1 LYS 18 5.456 6.737 -3.362
122 1HD LYS 18 HD2 LYS 18 6.502 7.348 -5.586
123 2HD LYS 18 HD1 LYS 18 6.027 5.752 -6.169
124 1HE LYS 18 HE2 LYS 18 3.973 7.541 -4.872
125 2HE LYS 18 HE1 LYS 18 4.390 7.753 -6.583
126 1HZ LYS 18 HZ1 LYS 18 2.607 6.142 -6.346
127 2HZ LYS 18 HZ2 LYS 18 3.555 5.203 -5.295
128 3HZ LYS 18 HZ3 LYS 18 4.006 5.379 -6.925
129 H SER 19 HN SER 19 8.937 4.844 -0.790
130 HA SER 19 HA SER 19 11.508 4.409 -1.943
131 1HB SER 19 HB2 SER 19 10.416 4.162 0.875
132 2HB SER 19 HB1 SER 19 12.136 4.099 0.500
133 HG SER 19 HG SER 19 12.102 6.178 -0.068
134 H SER 20 HN SER 20 9.321 2.161 -0.216
135 HA SER 20 HA SER 20 11.150 -0.110 -0.861
136 1HB SER 20 HB2 SER 20 9.879 0.600 1.425
137 2HB SER 20 HB1 SER 20 8.658 -0.461 0.730
138 HG SER 20 HG SER 20 10.012 -2.128 0.867
139 H LYS 21 HN LYS 21 9.116 1.359 -2.735
140 HA LYS 21 HA LYS 21 7.574 0.776 -4.412
141 1HB LYS 21 HB2 LYS 21 9.686 -1.123 -4.193
142 2HB LYS 21 HB1 LYS 21 8.216 -2.029 -4.546
143 1HG LYS 21 HG2 LYS 21 9.339 -1.318 -6.626
144 2HG LYS 21 HG1 LYS 21 7.757 -0.555 -6.468
145 1HD LYS 21 HD2 LYS 21 8.668 1.508 -6.433
146 2HD LYS 21 HD1 LYS 21 9.821 1.041 -5.182
147 1HE LYS 21 HE2 LYS 21 11.430 0.322 -6.759
148 2HE LYS 21 HE1 LYS 21 10.228 0.195 -8.058
149 1HZ LYS 21 HZ1 LYS 21 9.869 2.609 -7.862
150 2HZ LYS 21 HZ2 LYS 21 11.462 2.234 -8.317
151 3HZ LYS 21 HZ3 LYS 21 11.121 2.697 -6.719
152 H LEU 22 HN LEU 22 6.050 1.003 -2.322
153 HA LEU 22 HA LEU 22 4.671 -1.591 -1.765
154 1HB LEU 22 HB2 LEU 22 4.809 1.131 -0.460
155 2HB LEU 22 HB1 LEU 22 3.540 -0.013 -0.025
156 HG LEU 22 HG LEU 22 6.486 -0.716 0.027
157 1HD1 LEU 22 HD11 LEU 22 5.465 1.164 1.651
158 2HD1 LEU 22 HD12 LEU 22 6.652 -0.013 2.214
159 3HD1 LEU 22 HD13 LEU 22 4.936 -0.267 2.537
160 1HD2 LEU 22 HD21 LEU 22 5.049 -2.262 1.848
161 2HD2 LEU 22 HD22 LEU 22 5.590 -2.783 0.253
162 3HD2 LEU 22 HD23 LEU 22 3.964 -2.135 0.463
163 H VAL 23 HN VAL 23 2.537 -1.900 -2.406
164 HA VAL 23 HA VAL 23 1.177 0.365 -3.832
165 HB VAL 23 HB VAL 23 0.308 -1.469 -5.368
166 1HG1 VAL 23 HG11 VAL 23 2.260 -1.440 -6.745
167 2HG1 VAL 23 HG12 VAL 23 3.327 -1.272 -5.351
168 3HG1 VAL 23 HG13 VAL 23 2.289 0.070 -5.834
169 1HG2 VAL 23 HG21 VAL 23 1.499 -3.600 -5.398
170 2HG2 VAL 23 HG22 VAL 23 0.807 -3.357 -3.795
171 3HG2 VAL 23 HG23 VAL 23 2.528 -3.081 -4.063
172 H CYS 24 HN CYS 24 -0.986 0.633 -3.304
173 HA CYS 24 HA CYS 24 -2.044 -0.756 -0.976
174 1HB CYS 24 HB2 CYS 24 -2.461 1.616 -1.476
175 2HB CYS 24 HB1 CYS 24 -3.272 1.172 -2.977
176 H SER 25 HN SER 25 -2.705 -2.867 -1.227
177 HA SER 25 HA SER 25 -4.034 -3.725 -3.745
178 1HB SER 25 HB2 SER 25 -2.267 -4.859 -1.869
179 2HB SER 25 HB1 SER 25 -3.792 -5.705 -1.631
180 HG SER 25 HG SER 25 -2.090 -5.637 -3.829
181 H ARG 26 HN ARG 26 -6.222 -4.196 -3.839
182 HA ARG 26 HA ARG 26 -7.979 -3.288 -1.705
183 1HB ARG 26 HB2 ARG 26 -8.236 -3.372 -4.318
184 2HB ARG 26 HB1 ARG 26 -8.797 -5.019 -4.032
185 1HG ARG 26 HG2 ARG 26 -10.448 -4.077 -2.367
186 2HG ARG 26 HG1 ARG 26 -9.980 -2.466 -2.911
187 1HD ARG 26 HD2 ARG 26 -10.700 -2.980 -5.195
188 2HD ARG 26 HD1 ARG 26 -11.081 -4.647 -4.723
189 HE ARG 26 HE ARG 26 -12.503 -3.113 -2.902
190 1HH1 ARG 26 HH11 ARG 26 -12.661 -1.017 -5.033
191 2HH1 ARG 26 HH12 ARG 26 -14.097 -1.470 -5.888
192 1HH2 ARG 26 HH21 ARG 26 -14.190 -4.682 -4.567
193 2HH2 ARG 26 HH22 ARG 26 -14.965 -3.549 -5.624
194 H LYS 27 HN LYS 27 -6.856 -6.461 -2.855
195 HA LYS 27 HA LYS 27 -8.660 -8.142 -1.423
196 1HB LYS 27 HB2 LYS 27 -6.864 -8.609 -3.248
197 2HB LYS 27 HB1 LYS 27 -5.737 -8.744 -1.899
198 1HG LYS 27 HG2 LYS 27 -6.410 -10.940 -1.989
199 2HG LYS 27 HG1 LYS 27 -7.700 -10.323 -0.956
200 1HD LYS 27 HD2 LYS 27 -9.134 -9.986 -2.929
201 2HD LYS 27 HD1 LYS 27 -7.843 -10.581 -3.974
202 1HE LYS 27 HE2 LYS 27 -8.610 -12.362 -1.712
203 2HE LYS 27 HE1 LYS 27 -9.786 -12.206 -3.031
204 1HZ LYS 27 HZ1 LYS 27 -7.866 -12.536 -4.587
205 2HZ LYS 27 HZ2 LYS 27 -8.277 -13.903 -3.666
206 3HZ LYS 27 HZ3 LYS 27 -6.924 -12.967 -3.243
207 H THR 28 HN THR 28 -5.351 -7.089 -0.478
208 HA THR 28 HA THR 28 -5.696 -8.108 2.254
209 HB THR 28 HB THR 28 -3.402 -6.909 2.431
210 HG1 THR 28 HG1 THR 28 -3.296 -5.571 0.772
211 1HG2 THR 28 HG21 THR 28 -2.346 -8.808 1.562
212 2HG2 THR 28 HG22 THR 28 -3.504 -8.962 0.242
213 3HG2 THR 28 HG23 THR 28 -3.978 -9.391 1.885
214 H ARG 29 HN ARG 29 -6.422 -5.156 0.625
215 HA ARG 29 HA ARG 29 -7.374 -3.155 1.411
216 1HB ARG 29 HB2 ARG 29 -8.303 -5.044 3.026
217 2HB ARG 29 HB1 ARG 29 -7.297 -4.212 4.212
218 1HG ARG 29 HG2 ARG 29 -8.464 -2.055 3.222
219 2HG ARG 29 HG1 ARG 29 -9.704 -3.210 2.732
220 1HD ARG 29 HD2 ARG 29 -10.185 -3.826 4.965
221 2HD ARG 29 HD1 ARG 29 -8.651 -3.168 5.568
222 HE ARG 29 HE ARG 29 -9.528 -0.911 5.193
223 1HH1 ARG 29 HH11 ARG 29 -11.690 -2.480 6.755
224 2HH1 ARG 29 HH12 ARG 29 -13.119 -1.949 5.932
225 1HH2 ARG 29 HH21 ARG 29 -11.386 -0.663 3.208
226 2HH2 ARG 29 HH22 ARG 29 -12.945 -0.916 3.917
227 H TRP 30 HN TRP 30 -4.268 -3.970 1.911
228 HA TRP 30 HA TRP 30 -3.688 -1.346 3.173
229 1HB TRP 30 HB2 TRP 30 -2.077 -2.431 4.739
230 2HB TRP 30 HB1 TRP 30 -3.741 -2.920 5.029
231 HD1 TRP 30 HD1 TRP 30 -1.019 -4.288 2.607
232 HE1 TRP 30 HE1 TRP 30 -0.887 -6.842 2.938
233 HE3 TRP 30 HE3 TRP 30 -4.485 -4.879 6.305
234 HZ2 TRP 30 HZ2 TRP 30 -2.088 -8.866 4.561
235 HZ3 TRP 30 HZ3 TRP 30 -4.971 -7.125 7.226
236 HH2 TRP 30 HH2 TRP 30 -3.779 -9.119 6.361
237 H CYS 31 HN CYS 31 -1.146 -1.052 3.158
238 HA CYS 31 HA CYS 31 -0.290 -1.157 0.410
239 1HB CYS 31 HB2 CYS 31 1.045 -0.531 3.052
240 2HB CYS 31 HB1 CYS 31 1.885 -0.365 1.511
241 H LYS 32 HN LYS 32 0.763 -2.767 -0.652
242 HA LYS 32 HA LYS 32 2.075 -4.944 0.947
243 1HB LYS 32 HB2 LYS 32 0.211 -4.922 -1.409
244 2HB LYS 32 HB1 LYS 32 1.376 -6.239 -1.262
245 1HG LYS 32 HG2 LYS 32 0.358 -6.037 1.305
246 2HG LYS 32 HG1 LYS 32 -1.054 -5.717 0.298
247 1HD LYS 32 HD2 LYS 32 -1.049 -8.066 0.511
248 2HD LYS 32 HD1 LYS 32 -0.296 -7.794 -1.060
249 1HE LYS 32 HE2 LYS 32 1.911 -8.137 -0.160
250 2HE LYS 32 HE1 LYS 32 1.298 -8.115 1.505
251 1HZ LYS 32 HZ1 LYS 32 0.596 -10.092 -0.603
252 2HZ LYS 32 HZ2 LYS 32 -0.105 -10.034 0.945
253 3HZ LYS 32 HZ3 LYS 32 1.548 -10.387 0.769
254 H TYR 33 HN TYR 33 3.980 -5.883 -0.063
255 HA TYR 33 HA TYR 33 5.710 -4.009 -1.383
256 1HB TYR 33 HB2 TYR 33 7.289 -5.771 -1.249
257 2HB TYR 33 HB1 TYR 33 6.204 -6.076 0.104
258 HD1 TYR 33 HD1 TYR 33 4.378 -7.813 -0.137
259 HD2 TYR 33 HD2 TYR 33 7.488 -7.315 -3.060
260 HE1 TYR 33 HE1 TYR 33 3.868 -10.055 -1.061
261 HE2 TYR 33 HE2 TYR 33 6.976 -9.559 -3.984
262 HH TYR 33 HH TYR 33 5.733 -11.826 -2.719
263 H GLN 34 HN GLN 34 6.487 -4.020 -3.562
264 HA GLN 34 HA GLN 34 4.509 -4.826 -5.577
265 1HB GLN 34 HB2 GLN 34 5.809 -2.683 -5.577
266 2HB GLN 34 HB1 GLN 34 7.284 -3.616 -5.835
267 1HG GLN 34 HG2 GLN 34 6.735 -3.073 -8.026
268 2HG GLN 34 HG1 GLN 34 5.914 -4.625 -7.863
269 1HE2 GLN 34 HE21 GLN 34 5.418 -1.147 -8.147
270 2HE2 GLN 34 HE22 GLN 34 3.728 -1.214 -8.290
271 H ILE 35 HN ILE 35 4.751 -6.509 -7.072
272 HA ILE 35 HA ILE 35 6.651 -8.642 -6.415
273 HB ILE 35 HB ILE 35 4.262 -8.958 -7.130
274 1HG1 ILE 35 HG12 ILE 35 6.095 -10.235 -9.160
275 2HG1 ILE 35 HG11 ILE 35 6.194 -10.661 -7.452
276 1HG2 ILE 35 HG21 ILE 35 5.227 -8.328 -9.925
277 2HG2 ILE 35 HG22 ILE 35 4.457 -7.107 -8.913
278 3HG2 ILE 35 HG23 ILE 35 3.570 -8.559 -9.369
279 1HD1 ILE 35 HD11 ILE 35 4.690 -12.239 -8.439
280 2HD1 ILE 35 HD12 ILE 35 3.819 -10.968 -9.299
281 3HD1 ILE 35 HD13 ILE 35 3.685 -11.098 -7.545
Start of MODEL 8
1 1H GLU 1 HT1 GLU 1 2.816 11.226 5.849
2 2H GLU 1 HT2 GLU 1 3.569 11.643 7.313
3 3H GLU 1 HT3 GLU 1 2.524 10.305 7.244
4 HA GLU 1 HA GLU 1 5.168 10.538 5.888
5 1HB GLU 1 HB2 GLU 1 4.104 9.449 8.444
6 2HB GLU 1 HB1 GLU 1 5.271 8.431 7.600
7 1HG GLU 1 HG2 GLU 1 6.948 10.113 7.660
8 2HG GLU 1 HG1 GLU 1 5.785 11.369 8.082
9 H CYS 2 HN CYS 2 5.746 7.983 5.493
10 HA CYS 2 HA CYS 2 3.988 7.102 3.380
11 1HB CYS 2 HB2 CYS 2 5.587 5.286 3.205
12 2HB CYS 2 HB1 CYS 2 6.475 6.760 3.582
13 H LEU 3 HN LEU 3 2.704 5.149 3.326
14 HA LEU 3 HA LEU 3 1.331 4.558 5.869
15 1HB LEU 3 HB2 LEU 3 0.975 3.781 2.962
16 2HB LEU 3 HB1 LEU 3 -0.061 3.145 4.238
17 HG LEU 3 HG LEU 3 0.368 6.113 3.832
18 1HD1 LEU 3 HD11 LEU 3 -1.925 4.431 2.780
19 2HD1 LEU 3 HD12 LEU 3 -0.598 5.022 1.781
20 3HD1 LEU 3 HD13 LEU 3 -1.695 6.165 2.556
21 1HD2 LEU 3 HD21 LEU 3 -1.786 4.481 5.220
22 2HD2 LEU 3 HD22 LEU 3 -1.746 6.241 5.117
23 3HD2 LEU 3 HD23 LEU 3 -0.503 5.382 6.026
24 H GLU 4 HN GLU 4 1.148 2.405 6.735
25 HA GLU 4 HA GLU 4 3.468 0.635 6.079
26 1HB GLU 4 HB2 GLU 4 2.672 1.706 8.426
27 2HB GLU 4 HB1 GLU 4 1.723 0.219 8.462
28 1HG GLU 4 HG2 GLU 4 3.743 -1.118 8.128
29 2HG GLU 4 HG1 GLU 4 4.715 0.348 7.988
30 H ILE 5 HN ILE 5 2.898 -1.800 6.460
31 HA ILE 5 HA ILE 5 0.952 -2.644 4.563
32 HB ILE 5 HB ILE 5 3.047 -3.749 5.815
33 1HG1 ILE 5 HG12 ILE 5 1.701 -4.526 3.781
34 2HG1 ILE 5 HG11 ILE 5 2.493 -5.785 4.723
35 1HG2 ILE 5 HG21 ILE 5 0.664 -4.951 7.259
36 2HG2 ILE 5 HG22 ILE 5 1.880 -3.908 7.996
37 3HG2 ILE 5 HG23 ILE 5 2.338 -5.495 7.379
38 1HD1 ILE 5 HD11 ILE 5 -0.103 -5.331 5.846
39 2HD1 ILE 5 HD12 ILE 5 0.509 -6.787 5.063
40 3HD1 ILE 5 HD13 ILE 5 -0.280 -5.536 4.104
41 H PHE 6 HN PHE 6 -1.141 -3.538 4.830
42 HA PHE 6 HA PHE 6 -3.304 -3.696 5.731
43 1HB PHE 6 HB2 PHE 6 -1.491 -4.109 8.117
44 2HB PHE 6 HB1 PHE 6 -3.244 -4.192 8.277
45 HD1 PHE 6 HD1 PHE 6 -4.049 -5.430 5.715
46 HD2 PHE 6 HD2 PHE 6 -0.744 -6.335 8.309
47 HE1 PHE 6 HE1 PHE 6 -4.013 -7.756 4.859
48 HE2 PHE 6 HE2 PHE 6 -0.710 -8.661 7.451
49 HZ PHE 6 HZ PHE 6 -2.344 -9.371 5.727
50 H LYS 7 HN LYS 7 -2.188 -1.032 5.349
51 HA LYS 7 HA LYS 7 -3.622 0.461 7.532
52 1HB LYS 7 HB2 LYS 7 -1.097 0.658 7.430
53 2HB LYS 7 HB1 LYS 7 -1.282 1.388 5.835
54 1HG LYS 7 HG2 LYS 7 -1.460 3.362 6.926
55 2HG LYS 7 HG1 LYS 7 -3.076 2.826 7.384
56 1HD LYS 7 HD2 LYS 7 -2.279 3.165 9.502
57 2HD LYS 7 HD1 LYS 7 -1.617 1.546 9.275
58 1HE LYS 7 HE2 LYS 7 0.525 2.494 8.525
59 2HE LYS 7 HE1 LYS 7 -0.133 4.134 8.680
60 1HZ LYS 7 HZ1 LYS 7 1.075 3.459 10.684
61 2HZ LYS 7 HZ2 LYS 7 0.029 2.135 10.876
62 3HZ LYS 7 HZ3 LYS 7 -0.568 3.720 11.012
63 H ALA 8 HN ALA 8 -5.158 1.943 6.833
64 HA ALA 8 HA ALA 8 -6.436 1.789 4.354
65 1HB ALA 8 HB1 ALA 8 -7.164 2.920 6.500
66 2HB ALA 8 HB2 ALA 8 -7.516 3.841 5.038
67 3HB ALA 8 HB3 ALA 8 -6.142 4.286 6.050
68 H CYS 9 HN CYS 9 -5.729 2.272 2.324
69 HA CYS 9 HA CYS 9 -3.913 4.625 1.939
70 1HB CYS 9 HB2 CYS 9 -2.463 3.293 0.579
71 2HB CYS 9 HB1 CYS 9 -2.784 2.318 2.013
72 H ASN 10 HN ASN 10 -3.834 5.189 -0.495
73 HA ASN 10 HA ASN 10 -6.548 4.777 -1.714
74 1HB ASN 10 HB2 ASN 10 -4.666 7.123 -1.498
75 2HB ASN 10 HB1 ASN 10 -5.863 7.066 -2.791
76 1HD2 ASN 10 HD21 ASN 10 -6.328 9.126 -1.134
77 2HD2 ASN 10 HD22 ASN 10 -7.570 8.799 -0.024
78 HA PRO 11 HA PRO 11 -4.343 2.932 -5.083
79 1HB PRO 11 HB2 PRO 11 -6.292 3.164 -7.001
80 2HB PRO 11 HB1 PRO 11 -6.341 1.950 -5.706
81 1HG PRO 11 HG2 PRO 11 -7.752 4.570 -5.895
82 2HG PRO 11 HG1 PRO 11 -8.349 3.008 -5.309
83 1HD PRO 11 HD2 PRO 11 -7.579 4.993 -3.639
84 2HD PRO 11 HD1 PRO 11 -7.397 3.271 -3.232
85 H SER 12 HN SER 12 -6.112 5.991 -5.669
86 HA SER 12 HA SER 12 -4.432 6.779 -7.924
87 1HB SER 12 HB2 SER 12 -5.708 8.899 -7.661
88 2HB SER 12 HB1 SER 12 -6.775 7.499 -7.639
89 HG SER 12 HG SER 12 -7.355 8.090 -5.718
90 H ASN 13 HN ASN 13 -4.471 7.358 -4.427
91 HA ASN 13 HA ASN 13 -2.075 9.131 -4.663
92 1HB ASN 13 HB2 ASN 13 -4.472 9.110 -3.101
93 2HB ASN 13 HB1 ASN 13 -3.121 8.867 -1.995
94 1HD2 ASN 13 HD21 ASN 13 -4.845 11.331 -2.433
95 2HD2 ASN 13 HD22 ASN 13 -3.744 12.572 -2.790
96 H ASP 14 HN ASP 14 -0.724 7.176 -5.119
97 HA ASP 14 HA ASP 14 -0.489 5.015 -3.222
98 1HB ASP 14 HB2 ASP 14 1.591 4.541 -4.521
99 2HB ASP 14 HB1 ASP 14 0.204 4.831 -5.563
100 H GLN 15 HN GLN 15 -0.067 5.630 -1.114
101 HA GLN 15 HA GLN 15 2.345 7.360 -0.639
102 1HB GLN 15 HB2 GLN 15 -0.222 6.970 0.937
103 2HB GLN 15 HB1 GLN 15 1.130 7.969 1.470
104 1HG GLN 15 HG2 GLN 15 0.740 8.941 -1.052
105 2HG GLN 15 HG1 GLN 15 -0.909 8.507 -0.603
106 1HE2 GLN 15 HE21 GLN 15 1.485 10.930 -0.256
107 2HE2 GLN 15 HE22 GLN 15 0.754 11.798 1.007
108 H CYS 16 HN CYS 16 2.076 4.300 -0.885
109 HA CYS 16 HA CYS 16 2.384 3.175 1.765
110 1HB CYS 16 HB2 CYS 16 1.957 2.264 -0.790
111 2HB CYS 16 HB1 CYS 16 3.641 1.807 -0.533
112 H CYS 17 HN CYS 17 4.398 2.283 2.654
113 HA CYS 17 HA CYS 17 6.678 4.103 2.304
114 1HB CYS 17 HB2 CYS 17 5.576 2.684 4.372
115 2HB CYS 17 HB1 CYS 17 6.946 1.658 3.949
116 H LYS 18 HN LYS 18 8.299 3.742 0.870
117 HA LYS 18 HA LYS 18 8.486 1.273 -0.671
118 1HB LYS 18 HB2 LYS 18 9.089 3.854 -1.123
119 2HB LYS 18 HB1 LYS 18 10.680 3.299 -0.602
120 1HG LYS 18 HG2 LYS 18 9.502 1.386 -2.429
121 2HG LYS 18 HG1 LYS 18 9.528 2.991 -3.158
122 1HD LYS 18 HD2 LYS 18 11.717 2.703 -3.594
123 2HD LYS 18 HD1 LYS 18 12.020 2.693 -1.858
124 1HE LYS 18 HE2 LYS 18 12.907 0.615 -2.558
125 2HE LYS 18 HE1 LYS 18 11.280 0.171 -2.009
126 1HZ LYS 18 HZ1 LYS 18 11.803 -0.673 -4.262
127 2HZ LYS 18 HZ2 LYS 18 11.960 0.929 -4.804
128 3HZ LYS 18 HZ3 LYS 18 10.460 0.362 -4.241
129 H SER 19 HN SER 19 10.048 2.543 2.214
130 HA SER 19 HA SER 19 12.448 0.999 2.234
131 1HB SER 19 HB2 SER 19 11.644 2.944 3.722
132 2HB SER 19 HB1 SER 19 10.767 1.726 4.644
133 HG SER 19 HG SER 19 13.098 2.348 5.186
134 H SER 20 HN SER 20 9.147 0.210 3.344
135 HA SER 20 HA SER 20 10.016 -2.497 4.209
136 1HB SER 20 HB2 SER 20 8.427 -0.904 5.455
137 2HB SER 20 HB1 SER 20 7.241 -1.289 4.212
138 HG SER 20 HG SER 20 7.578 -2.630 6.335
139 H LYS 21 HN LYS 21 9.494 -1.294 1.249
140 HA LYS 21 HA LYS 21 8.710 -2.142 -0.799
141 1HB LYS 21 HB2 LYS 21 9.240 -4.588 0.903
142 2HB LYS 21 HB1 LYS 21 8.786 -4.718 -0.796
143 1HG LYS 21 HG2 LYS 21 11.126 -3.069 0.203
144 2HG LYS 21 HG1 LYS 21 11.274 -4.715 -0.412
145 1HD LYS 21 HD2 LYS 21 9.842 -3.583 -2.425
146 2HD LYS 21 HD1 LYS 21 10.770 -2.186 -1.880
147 1HE LYS 21 HE2 LYS 21 12.204 -3.175 -3.480
148 2HE LYS 21 HE1 LYS 21 12.813 -3.845 -1.954
149 1HZ LYS 21 HZ1 LYS 21 11.574 -5.812 -2.255
150 2HZ LYS 21 HZ2 LYS 21 12.311 -5.519 -3.756
151 3HZ LYS 21 HZ3 LYS 21 10.668 -5.156 -3.530
152 H LEU 22 HN LEU 22 6.589 -1.070 0.335
153 HA LEU 22 HA LEU 22 4.426 -3.157 0.247
154 1HB LEU 22 HB2 LEU 22 4.615 -0.555 1.806
155 2HB LEU 22 HB1 LEU 22 3.228 -1.643 1.824
156 HG LEU 22 HG LEU 22 6.028 -2.479 2.632
157 1HD1 LEU 22 HD11 LEU 22 5.237 -2.302 4.946
158 2HD1 LEU 22 HD12 LEU 22 3.670 -1.722 4.383
159 3HD1 LEU 22 HD13 LEU 22 5.112 -0.735 4.146
160 1HD2 LEU 22 HD21 LEU 22 4.935 -4.469 2.186
161 2HD2 LEU 22 HD22 LEU 22 3.340 -3.785 2.498
162 3HD2 LEU 22 HD23 LEU 22 4.393 -4.217 3.845
163 H VAL 23 HN VAL 23 2.458 -2.502 -0.835
164 HA VAL 23 HA VAL 23 2.548 0.073 -2.349
165 HB VAL 23 HB VAL 23 1.753 -1.344 -4.362
166 1HG1 VAL 23 HG11 VAL 23 4.224 -2.161 -4.721
167 2HG1 VAL 23 HG12 VAL 23 4.530 -1.288 -3.221
168 3HG1 VAL 23 HG13 VAL 23 3.881 -0.435 -4.621
169 1HG2 VAL 23 HG21 VAL 23 1.347 -3.402 -2.948
170 2HG2 VAL 23 HG22 VAL 23 3.095 -3.555 -2.777
171 3HG2 VAL 23 HG23 VAL 23 2.351 -3.686 -4.370
172 H CYS 24 HN CYS 24 0.532 1.027 -2.470
173 HA CYS 24 HA CYS 24 -1.671 -0.020 -0.929
174 1HB CYS 24 HB2 CYS 24 -1.231 2.371 -1.271
175 2HB CYS 24 HB1 CYS 24 -1.476 2.187 -3.008
176 H SER 25 HN SER 25 -3.032 -1.630 -1.581
177 HA SER 25 HA SER 25 -3.362 -2.156 -4.507
178 1HB SER 25 HB2 SER 25 -3.261 -3.726 -2.009
179 2HB SER 25 HB1 SER 25 -4.502 -4.251 -3.142
180 HG SER 25 HG SER 25 -2.910 -5.176 -4.147
181 H ARG 26 HN ARG 26 -5.493 -2.408 -5.375
182 HA ARG 26 HA ARG 26 -7.555 -0.754 -4.104
183 1HB ARG 26 HB2 ARG 26 -7.425 -2.428 -6.634
184 2HB ARG 26 HB1 ARG 26 -8.784 -1.385 -6.218
185 1HG ARG 26 HG2 ARG 26 -7.616 0.544 -6.641
186 2HG ARG 26 HG1 ARG 26 -6.081 -0.145 -6.112
187 1HD ARG 26 HD2 ARG 26 -6.323 -1.649 -8.262
188 2HD ARG 26 HD1 ARG 26 -7.419 -0.360 -8.798
189 HE ARG 26 HE ARG 26 -4.796 0.490 -7.709
190 1HH1 ARG 26 HH11 ARG 26 -4.678 -0.986 -10.413
191 2HH1 ARG 26 HH12 ARG 26 -4.719 0.354 -11.510
192 1HH2 ARG 26 HH21 ARG 26 -5.796 2.626 -9.111
193 2HH2 ARG 26 HH22 ARG 26 -5.353 2.403 -10.771
194 H LYS 27 HN LYS 27 -7.142 -4.221 -4.871
195 HA LYS 27 HA LYS 27 -9.701 -5.161 -4.061
196 1HB LYS 27 HB2 LYS 27 -7.937 -6.408 -5.310
197 2HB LYS 27 HB1 LYS 27 -6.980 -6.492 -3.831
198 1HG LYS 27 HG2 LYS 27 -8.148 -8.282 -3.129
199 2HG LYS 27 HG1 LYS 27 -9.661 -7.390 -3.279
200 1HD LYS 27 HD2 LYS 27 -10.011 -9.117 -4.800
201 2HD LYS 27 HD1 LYS 27 -9.346 -7.868 -5.853
202 1HE LYS 27 HE2 LYS 27 -7.891 -9.541 -6.467
203 2HE LYS 27 HE1 LYS 27 -7.047 -9.082 -4.975
204 1HZ LYS 27 HZ1 LYS 27 -9.213 -11.112 -5.177
205 2HZ LYS 27 HZ2 LYS 27 -8.401 -10.666 -3.753
206 3HZ LYS 27 HZ3 LYS 27 -7.563 -11.457 -5.001
207 H THR 28 HN THR 28 -6.685 -4.834 -2.149
208 HA THR 28 HA THR 28 -8.016 -5.655 0.339
209 HB THR 28 HB THR 28 -5.719 -4.999 1.245
210 HG1 THR 28 HG1 THR 28 -4.571 -3.828 -0.031
211 1HG2 THR 28 HG21 THR 28 -4.606 -6.918 0.198
212 2HG2 THR 28 HG22 THR 28 -5.802 -6.915 -1.099
213 3HG2 THR 28 HG23 THR 28 -6.290 -7.301 0.552
214 H ARG 29 HN ARG 29 -7.347 -2.647 -1.323
215 HA ARG 29 HA ARG 29 -8.022 -0.445 -0.835
216 1HB ARG 29 HB2 ARG 29 -9.918 -2.019 0.256
217 2HB ARG 29 HB1 ARG 29 -9.291 -1.281 1.730
218 1HG ARG 29 HG2 ARG 29 -9.553 0.971 0.602
219 2HG ARG 29 HG1 ARG 29 -10.406 0.141 -0.701
220 1HD ARG 29 HD2 ARG 29 -11.902 -0.841 1.201
221 2HD ARG 29 HD1 ARG 29 -11.253 0.493 2.175
222 HE ARG 29 HE ARG 29 -12.545 0.976 -0.486
223 1HH1 ARG 29 HH21 ARG 29 -14.202 1.008 2.102
224 2HH1 ARG 29 HH22 ARG 29 -14.235 2.705 2.445
225 1HH2 ARG 29 HH11 ARG 29 -11.636 3.465 0.268
226 2HH2 ARG 29 HH12 ARG 29 -12.779 4.100 1.403
227 H TRP 30 HN TRP 30 -5.744 -2.126 0.804
228 HA TRP 30 HA TRP 30 -4.929 0.281 2.353
229 1HB TRP 30 HB2 TRP 30 -4.397 -1.157 4.301
230 2HB TRP 30 HB1 TRP 30 -6.109 -1.217 3.908
231 HD1 TRP 30 HD1 TRP 30 -3.041 -3.243 2.631
232 HE1 TRP 30 HE1 TRP 30 -3.642 -5.743 2.746
233 HE3 TRP 30 HE3 TRP 30 -7.754 -2.926 4.569
234 HZ2 TRP 30 HZ2 TRP 30 -5.830 -7.394 3.556
235 HZ3 TRP 30 HZ3 TRP 30 -9.071 -4.979 5.005
236 HH2 TRP 30 HH2 TRP 30 -8.117 -7.211 4.501
237 H CYS 31 HN CYS 31 -2.556 -0.054 3.130
238 HA CYS 31 HA CYS 31 -0.883 -0.585 0.861
239 1HB CYS 31 HB2 CYS 31 -0.669 0.232 3.668
240 2HB CYS 31 HB1 CYS 31 0.724 -0.705 3.128
241 H LYS 32 HN LYS 32 -0.095 -2.515 0.122
242 HA LYS 32 HA LYS 32 0.027 -4.842 2.012
243 1HB LYS 32 HB2 LYS 32 -2.023 -4.906 0.650
244 2HB LYS 32 HB1 LYS 32 -1.068 -4.721 -0.820
245 1HG LYS 32 HG2 LYS 32 0.176 -6.867 0.037
246 2HG LYS 32 HG1 LYS 32 -1.276 -7.095 1.013
247 1HD LYS 32 HD2 LYS 32 -2.620 -6.805 -1.127
248 2HD LYS 32 HD1 LYS 32 -1.092 -6.904 -2.003
249 1HE LYS 32 HE2 LYS 32 -1.716 -9.048 0.007
250 2HE LYS 32 HE1 LYS 32 -2.514 -9.103 -1.577
251 1HZ LYS 32 HZ1 LYS 32 0.414 -8.801 -1.143
252 2HZ LYS 32 HZ2 LYS 32 -0.369 -8.884 -2.650
253 3HZ LYS 32 HZ3 LYS 32 -0.357 -10.235 -1.619
254 H TYR 33 HN TYR 33 1.886 -6.076 1.775
255 HA TYR 33 HA TYR 33 4.201 -5.114 0.504
256 1HB TYR 33 HB2 TYR 33 5.083 -7.364 0.920
257 2HB TYR 33 HB1 TYR 33 4.059 -6.876 2.266
258 HD1 TYR 33 HD1 TYR 33 1.807 -7.859 2.564
259 HD2 TYR 33 HD2 TYR 33 4.422 -9.151 -0.592
260 HE1 TYR 33 HE1 TYR 33 0.400 -9.868 2.220
261 HE2 TYR 33 HE2 TYR 33 3.011 -11.161 -0.935
262 HH TYR 33 HH TYR 33 1.077 -12.416 1.086
263 H GLN 34 HN GLN 34 5.073 -5.317 -1.552
264 HA GLN 34 HA GLN 34 3.305 -5.982 -3.750
265 1HB GLN 34 HB2 GLN 34 5.403 -4.355 -3.441
266 2HB GLN 34 HB1 GLN 34 6.273 -5.756 -4.068
267 1HG GLN 34 HG2 GLN 34 3.865 -5.324 -5.608
268 2HG GLN 34 HG1 GLN 34 4.822 -3.843 -5.558
269 1HE2 GLN 34 HE21 GLN 34 6.618 -3.752 -6.945
270 2HE2 GLN 34 HE22 GLN 34 7.266 -5.089 -7.765
271 H ILE 35 HN ILE 35 3.328 -7.802 -5.083
272 HA ILE 35 HA ILE 35 5.201 -10.026 -4.361
273 HB ILE 35 HB ILE 35 2.957 -10.239 -3.274
274 1HG1 ILE 35 HG12 ILE 35 3.166 -12.319 -5.449
275 2HG1 ILE 35 HG11 ILE 35 4.399 -12.201 -4.194
276 1HG2 ILE 35 HG21 ILE 35 1.775 -9.067 -5.231
277 2HG2 ILE 35 HG22 ILE 35 0.959 -10.473 -4.548
278 3HG2 ILE 35 HG23 ILE 35 1.851 -10.620 -6.063
279 1HD1 ILE 35 HD11 ILE 35 1.449 -12.395 -3.558
280 2HD1 ILE 35 HD12 ILE 35 2.809 -12.618 -2.458
281 3HD1 ILE 35 HD13 ILE 35 2.482 -13.816 -3.712
Start of MODEL 9
1 1H GLU 1 HT1 GLU 1 0.848 12.575 -5.865
2 2H GLU 1 HT2 GLU 1 1.494 11.003 -5.829
3 3H GLU 1 HT3 GLU 1 1.217 11.846 -4.379
4 HA GLU 1 HA GLU 1 -1.190 11.823 -4.826
5 1HB GLU 1 HB2 GLU 1 -0.052 10.978 -7.371
6 2HB GLU 1 HB1 GLU 1 -1.306 9.861 -6.836
7 1HG GLU 1 HG2 GLU 1 -2.739 11.367 -7.755
8 2HG GLU 1 HG1 GLU 1 -2.467 12.279 -6.270
9 H CYS 2 HN CYS 2 -2.422 9.436 -4.949
10 HA CYS 2 HA CYS 2 -1.305 7.941 -2.718
11 1HB CYS 2 HB2 CYS 2 -3.373 6.760 -2.839
12 2HB CYS 2 HB1 CYS 2 -3.752 8.405 -3.345
13 H LEU 3 HN LEU 3 -0.999 5.529 -2.840
14 HA LEU 3 HA LEU 3 0.499 4.787 -5.322
15 1HB LEU 3 HB2 LEU 3 0.541 3.820 -2.446
16 2HB LEU 3 HB1 LEU 3 1.490 3.075 -3.732
17 HG LEU 3 HG LEU 3 1.644 6.036 -3.137
18 1HD1 LEU 3 HD11 LEU 3 3.956 5.035 -2.123
19 2HD1 LEU 3 HD12 LEU 3 2.844 3.731 -1.707
20 3HD1 LEU 3 HD13 LEU 3 2.532 5.371 -1.138
21 1HD2 LEU 3 HD21 LEU 3 3.864 5.729 -4.266
22 2HD2 LEU 3 HD22 LEU 3 2.495 5.351 -5.312
23 3HD2 LEU 3 HD23 LEU 3 3.428 4.048 -4.576
24 H GLU 4 HN GLU 4 0.054 2.779 -6.349
25 HA GLU 4 HA GLU 4 -2.673 1.724 -5.887
26 1HB GLU 4 HB2 GLU 4 -0.909 2.155 -8.072
27 2HB GLU 4 HB1 GLU 4 -1.191 0.416 -7.980
28 1HG GLU 4 HG2 GLU 4 -3.708 1.516 -7.518
29 2HG GLU 4 HG1 GLU 4 -3.022 2.547 -8.774
30 H ILE 5 HN ILE 5 -2.781 -0.805 -6.317
31 HA ILE 5 HA ILE 5 -1.594 -2.140 -4.076
32 HB ILE 5 HB ILE 5 -3.731 -2.702 -5.280
33 1HG1 ILE 5 HG12 ILE 5 -3.250 -5.243 -5.322
34 2HG1 ILE 5 HG11 ILE 5 -1.609 -4.809 -4.844
35 1HG2 ILE 5 HG21 ILE 5 -2.754 -2.451 -7.583
36 2HG2 ILE 5 HG22 ILE 5 -3.649 -3.952 -7.354
37 3HG2 ILE 5 HG23 ILE 5 -1.886 -3.964 -7.328
38 1HD1 ILE 5 HD11 ILE 5 -2.702 -5.164 -2.787
39 2HD1 ILE 5 HD12 ILE 5 -4.182 -4.379 -3.337
40 3HD1 ILE 5 HD13 ILE 5 -2.752 -3.411 -2.979
41 H PHE 6 HN PHE 6 0.096 -3.691 -4.000
42 HA PHE 6 HA PHE 6 2.211 -4.582 -4.528
43 1HB PHE 6 HB2 PHE 6 1.090 -4.399 -7.346
44 2HB PHE 6 HB1 PHE 6 2.373 -5.475 -6.801
45 HD1 PHE 6 HD1 PHE 6 -0.781 -5.704 -7.861
46 HD2 PHE 6 HD2 PHE 6 1.419 -6.518 -4.261
47 HE1 PHE 6 HE1 PHE 6 -2.480 -7.386 -7.203
48 HE2 PHE 6 HE2 PHE 6 -0.281 -8.199 -3.604
49 HZ PHE 6 HZ PHE 6 -2.230 -8.632 -5.074
50 H LYS 7 HN LYS 7 2.070 -1.728 -4.274
51 HA LYS 7 HA LYS 7 4.135 -0.860 -6.276
52 1HB LYS 7 HB2 LYS 7 1.729 0.129 -6.272
53 2HB LYS 7 HB1 LYS 7 2.230 0.958 -4.798
54 1HG LYS 7 HG2 LYS 7 3.450 2.461 -5.957
55 2HG LYS 7 HG1 LYS 7 4.244 1.193 -6.892
56 1HD LYS 7 HD2 LYS 7 1.389 1.860 -7.514
57 2HD LYS 7 HD1 LYS 7 2.656 2.945 -8.087
58 1HE LYS 7 HE2 LYS 7 3.474 1.407 -9.593
59 2HE LYS 7 HE1 LYS 7 3.105 0.028 -8.538
60 1HZ LYS 7 HZ1 LYS 7 0.797 0.235 -9.015
61 2HZ LYS 7 HZ2 LYS 7 1.608 0.238 -10.508
62 3HZ LYS 7 HZ3 LYS 7 1.025 1.693 -9.854
63 H ALA 8 HN ALA 8 6.045 -0.148 -5.384
64 HA ALA 8 HA ALA 8 6.800 -0.577 -2.712
65 1HB ALA 8 HB1 ALA 8 8.215 -0.128 -4.772
66 2HB ALA 8 HB2 ALA 8 8.758 0.697 -3.312
67 3HB ALA 8 HB3 ALA 8 7.868 1.586 -4.547
68 H CYS 9 HN CYS 9 6.089 0.397 -0.872
69 HA CYS 9 HA CYS 9 5.320 3.300 -0.973
70 1HB CYS 9 HB2 CYS 9 3.533 2.712 0.607
71 2HB CYS 9 HB1 CYS 9 3.408 1.703 -0.834
72 H ASN 10 HN ASN 10 5.282 4.182 1.426
73 HA ASN 10 HA ASN 10 7.792 3.240 2.771
74 1HB ASN 10 HB2 ASN 10 7.179 5.670 1.701
75 2HB ASN 10 HB1 ASN 10 6.645 5.911 3.364
76 1HD2 ASN 10 HD21 ASN 10 8.265 6.208 4.961
77 2HD2 ASN 10 HD22 ASN 10 9.928 6.086 4.650
78 HA PRO 11 HA PRO 11 5.268 2.172 6.249
79 1HB PRO 11 HB2 PRO 11 7.245 2.024 8.136
80 2HB PRO 11 HB1 PRO 11 6.997 0.778 6.898
81 1HG PRO 11 HG2 PRO 11 9.004 2.971 7.001
82 2HG PRO 11 HG1 PRO 11 9.176 1.308 6.418
83 1HD PRO 11 HD2 PRO 11 8.862 3.475 4.781
84 2HD PRO 11 HD1 PRO 11 8.384 1.822 4.339
85 H SER 12 HN SER 12 7.680 4.792 6.574
86 HA SER 12 HA SER 12 6.387 6.025 8.879
87 1HB SER 12 HB2 SER 12 8.822 6.156 8.262
88 2HB SER 12 HB1 SER 12 8.375 7.144 6.874
89 HG SER 12 HG SER 12 8.040 8.788 8.161
90 H ASN 13 HN ASN 13 6.305 6.517 5.356
91 HA ASN 13 HA ASN 13 4.191 8.607 5.757
92 1HB ASN 13 HB2 ASN 13 6.579 8.981 4.626
93 2HB ASN 13 HB1 ASN 13 5.762 8.304 3.217
94 1HD2 ASN 13 HD21 ASN 13 4.493 9.743 2.015
95 2HD2 ASN 13 HD22 ASN 13 4.001 11.275 2.553
96 H ASP 14 HN ASP 14 2.601 6.855 5.871
97 HA ASP 14 HA ASP 14 2.233 4.916 3.766
98 1HB ASP 14 HB2 ASP 14 0.947 5.850 6.234
99 2HB ASP 14 HB1 ASP 14 -0.213 5.293 5.029
100 H GLN 15 HN GLN 15 2.083 5.882 1.711
101 HA GLN 15 HA GLN 15 -0.105 7.897 1.299
102 1HB GLN 15 HB2 GLN 15 2.580 7.352 0.054
103 2HB GLN 15 HB1 GLN 15 1.351 8.207 -0.878
104 1HG GLN 15 HG2 GLN 15 2.110 9.055 1.924
105 2HG GLN 15 HG1 GLN 15 2.961 9.657 0.502
106 1HE2 GLN 15 HE21 GLN 15 0.530 10.529 2.568
107 2HE2 GLN 15 HE22 GLN 15 -0.423 11.463 1.519
108 H CYS 16 HN CYS 16 -0.909 5.220 1.452
109 HA CYS 16 HA CYS 16 -1.012 4.045 -1.251
110 1HB CYS 16 HB2 CYS 16 -1.003 3.020 1.242
111 2HB CYS 16 HB1 CYS 16 -2.746 3.131 1.001
112 H CYS 17 HN CYS 17 -3.120 3.623 -2.319
113 HA CYS 17 HA CYS 17 -4.901 5.958 -2.182
114 1HB CYS 17 HB2 CYS 17 -4.035 4.147 -4.111
115 2HB CYS 17 HB1 CYS 17 -5.716 3.685 -3.846
116 H LYS 18 HN LYS 18 -6.571 6.022 -0.748
117 HA LYS 18 HA LYS 18 -7.533 3.633 0.638
118 1HB LYS 18 HB2 LYS 18 -8.186 6.579 0.594
119 2HB LYS 18 HB1 LYS 18 -9.183 5.450 1.513
120 1HG LYS 18 HG2 LYS 18 -6.175 5.595 1.817
121 2HG LYS 18 HG1 LYS 18 -7.283 6.537 2.815
122 1HD LYS 18 HD2 LYS 18 -7.994 3.686 2.622
123 2HD LYS 18 HD1 LYS 18 -6.438 3.982 3.398
124 1HE LYS 18 HE2 LYS 18 -7.542 4.549 5.293
125 2HE LYS 18 HE1 LYS 18 -8.257 5.924 4.429
126 1HZ LYS 18 HZ1 LYS 18 -10.000 4.463 5.206
127 2HZ LYS 18 HZ2 LYS 18 -9.280 3.130 4.437
128 3HZ LYS 18 HZ3 LYS 18 -9.929 4.400 3.512
129 H SER 19 HN SER 19 -8.426 5.305 -2.277
130 HA SER 19 HA SER 19 -11.217 4.842 -2.442
131 1HB SER 19 HB2 SER 19 -8.974 4.914 -4.474
132 2HB SER 19 HB1 SER 19 -10.666 4.793 -4.949
133 HG SER 19 HG SER 19 -10.523 6.903 -4.803
134 H SER 20 HN SER 20 -8.491 2.652 -3.155
135 HA SER 20 HA SER 20 -10.419 0.460 -3.791
136 1HB SER 20 HB2 SER 20 -8.190 1.331 -5.068
137 2HB SER 20 HB1 SER 20 -7.475 0.111 -4.018
138 HG SER 20 HG SER 20 -9.145 -0.157 -6.187
139 H LYS 21 HN LYS 21 -9.510 1.575 -0.995
140 HA LYS 21 HA LYS 21 -9.044 0.673 1.130
141 1HB LYS 21 HB2 LYS 21 -10.930 -0.784 -0.021
142 2HB LYS 21 HB1 LYS 21 -9.677 -2.025 -0.033
143 1HG LYS 21 HG2 LYS 21 -10.590 -2.437 2.047
144 2HG LYS 21 HG1 LYS 21 -9.384 -1.232 2.497
145 1HD LYS 21 HD2 LYS 21 -11.056 0.027 3.331
146 2HD LYS 21 HD1 LYS 21 -11.634 0.247 1.679
147 1HE LYS 21 HE2 LYS 21 -13.535 -0.742 2.528
148 2HE LYS 21 HE1 LYS 21 -12.632 -2.236 2.213
149 1HZ LYS 21 HZ1 LYS 21 -13.419 -2.093 4.527
150 2HZ LYS 21 HZ2 LYS 21 -12.504 -0.678 4.744
151 3HZ LYS 21 HZ3 LYS 21 -11.727 -2.157 4.430
152 H LEU 22 HN LEU 22 -6.677 1.147 0.189
153 HA LEU 22 HA LEU 22 -5.117 -1.416 0.366
154 1HB LEU 22 HB2 LEU 22 -4.639 1.079 -1.297
155 2HB LEU 22 HB1 LEU 22 -3.524 -0.283 -1.200
156 HG LEU 22 HG LEU 22 -6.407 -0.525 -2.110
157 1HD1 LEU 22 HD11 LEU 22 -3.829 -0.236 -3.674
158 2HD1 LEU 22 HD12 LEU 22 -5.250 0.805 -3.749
159 3HD1 LEU 22 HD13 LEU 22 -5.328 -0.839 -4.381
160 1HD2 LEU 22 HD21 LEU 22 -4.079 -2.389 -1.798
161 2HD2 LEU 22 HD22 LEU 22 -5.209 -2.669 -3.123
162 3HD2 LEU 22 HD23 LEU 22 -5.786 -2.669 -1.457
163 H VAL 23 HN VAL 23 -3.149 -1.299 1.556
164 HA VAL 23 HA VAL 23 -2.493 1.282 2.910
165 HB VAL 23 HB VAL 23 -2.361 0.073 5.075
166 1HG1 VAL 23 HG11 VAL 23 -4.476 1.211 4.351
167 2HG1 VAL 23 HG12 VAL 23 -4.745 -0.126 5.468
168 3HG1 VAL 23 HG13 VAL 23 -5.054 -0.341 3.746
169 1HG2 VAL 23 HG21 VAL 23 -3.836 -2.243 4.704
170 2HG2 VAL 23 HG22 VAL 23 -2.088 -2.172 4.921
171 3HG2 VAL 23 HG23 VAL 23 -2.773 -2.229 3.299
172 H CYS 24 HN CYS 24 -0.265 1.402 3.558
173 HA CYS 24 HA CYS 24 1.550 -0.236 1.957
174 1HB CYS 24 HB2 CYS 24 1.884 2.166 2.328
175 2HB CYS 24 HB1 CYS 24 1.979 1.903 4.069
176 H SER 25 HN SER 25 2.171 -2.244 2.629
177 HA SER 25 HA SER 25 2.216 -2.890 5.539
178 1HB SER 25 HB2 SER 25 1.088 -4.555 4.353
179 2HB SER 25 HB1 SER 25 2.110 -4.377 2.932
180 HG SER 25 HG SER 25 2.332 -6.227 4.670
181 H ARG 26 HN ARG 26 4.146 -3.537 6.578
182 HA ARG 26 HA ARG 26 6.647 -2.562 5.397
183 1HB ARG 26 HB2 ARG 26 5.814 -2.385 7.815
184 2HB ARG 26 HB1 ARG 26 6.232 -4.090 7.977
185 1HG ARG 26 HG2 ARG 26 8.460 -2.852 6.751
186 2HG ARG 26 HG1 ARG 26 7.970 -1.787 8.068
187 1HD ARG 26 HD2 ARG 26 9.477 -3.354 9.072
188 2HD ARG 26 HD1 ARG 26 7.861 -3.939 9.515
189 HE ARG 26 HE ARG 26 8.976 -4.990 6.983
190 1HH1 ARG 26 HH21 ARG 26 6.739 -6.213 8.665
191 2HH1 ARG 26 HH22 ARG 26 7.552 -7.572 9.367
192 1HH2 ARG 26 HH11 ARG 26 10.736 -6.394 8.612
193 2HH2 ARG 26 HH12 ARG 26 9.822 -7.675 9.336
194 H LYS 27 HN LYS 27 5.401 -5.757 6.459
195 HA LYS 27 HA LYS 27 7.709 -7.304 5.836
196 1HB LYS 27 HB2 LYS 27 5.063 -7.663 6.751
197 2HB LYS 27 HB1 LYS 27 5.213 -8.697 5.329
198 1HG LYS 27 HG2 LYS 27 7.412 -8.688 7.374
199 2HG LYS 27 HG1 LYS 27 5.943 -9.612 7.688
200 1HD LYS 27 HD2 LYS 27 7.018 -9.977 4.971
201 2HD LYS 27 HD1 LYS 27 8.099 -10.537 6.248
202 1HE LYS 27 HE2 LYS 27 5.233 -11.280 6.566
203 2HE LYS 27 HE1 LYS 27 6.115 -12.091 5.256
204 1HZ LYS 27 HZ1 LYS 27 7.908 -12.563 6.851
205 2HZ LYS 27 HZ2 LYS 27 6.445 -13.294 7.308
206 3HZ LYS 27 HZ3 LYS 27 6.976 -11.886 8.096
207 H THR 28 HN THR 28 4.919 -6.407 3.787
208 HA THR 28 HA THR 28 5.953 -7.900 1.478
209 HB THR 28 HB THR 28 3.956 -7.071 0.397
210 HG1 THR 28 HG1 THR 28 4.048 -5.160 2.458
211 1HG2 THR 28 HG21 THR 28 3.689 -8.795 2.197
212 2HG2 THR 28 HG22 THR 28 2.245 -7.822 1.922
213 3HG2 THR 28 HG23 THR 28 3.276 -7.495 3.313
214 H ARG 29 HN ARG 29 6.292 -4.678 2.768
215 HA ARG 29 HA ARG 29 7.662 -2.894 2.075
216 1HB ARG 29 HB2 ARG 29 8.841 -5.159 1.105
217 2HB ARG 29 HB1 ARG 29 8.563 -4.265 -0.389
218 1HG ARG 29 HG2 ARG 29 9.650 -2.268 0.679
219 2HG ARG 29 HG1 ARG 29 10.055 -3.287 2.061
220 1HD ARG 29 HD2 ARG 29 11.052 -4.866 0.141
221 2HD ARG 29 HD1 ARG 29 11.193 -3.312 -0.705
222 HE ARG 29 HE ARG 29 12.145 -3.339 2.091
223 1HH1 ARG 29 HH21 ARG 29 13.999 -5.120 0.672
224 2HH1 ARG 29 HH22 ARG 29 15.156 -4.029 -0.013
225 1HH2 ARG 29 HH11 ARG 29 13.131 -1.228 0.366
226 2HH2 ARG 29 HH12 ARG 29 14.663 -1.817 -0.187
227 H TRP 30 HN TRP 30 4.879 -3.752 0.668
228 HA TRP 30 HA TRP 30 4.922 -1.398 -1.133
229 1HB TRP 30 HB2 TRP 30 3.938 -2.747 -2.985
230 2HB TRP 30 HB1 TRP 30 5.567 -3.261 -2.570
231 HD1 TRP 30 HD1 TRP 30 2.080 -4.238 -1.138
232 HE1 TRP 30 HE1 TRP 30 1.946 -6.810 -1.082
233 HE3 TRP 30 HE3 TRP 30 6.633 -5.402 -3.137
234 HZ2 TRP 30 HZ2 TRP 30 3.556 -9.066 -1.795
235 HZ3 TRP 30 HZ3 TRP 30 7.305 -7.768 -3.440
236 HH2 TRP 30 HH2 TRP 30 5.773 -9.599 -2.772
237 H CYS 31 HN CYS 31 2.540 -1.228 -2.128
238 HA CYS 31 HA CYS 31 0.732 -1.003 0.151
239 1HB CYS 31 HB2 CYS 31 0.941 -0.168 -2.660
240 2HB CYS 31 HB1 CYS 31 -0.713 -0.513 -2.156
241 H LYS 32 HN LYS 32 -0.817 -2.460 0.762
242 HA LYS 32 HA LYS 32 -1.666 -4.580 -1.178
243 1HB LYS 32 HB2 LYS 32 0.061 -5.568 0.178
244 2HB LYS 32 HB1 LYS 32 -0.598 -4.852 1.649
245 1HG LYS 32 HG2 LYS 32 -2.443 -6.322 1.684
246 2HG LYS 32 HG1 LYS 32 -2.245 -6.755 -0.014
247 1HD LYS 32 HD2 LYS 32 -1.435 -8.621 1.252
248 2HD LYS 32 HD1 LYS 32 -0.010 -7.789 0.632
249 1HE LYS 32 HE2 LYS 32 0.510 -8.176 2.921
250 2HE LYS 32 HE1 LYS 32 -0.059 -6.496 2.907
251 1HZ LYS 32 HZ1 LYS 32 -1.850 -8.827 3.341
252 2HZ LYS 32 HZ2 LYS 32 -2.228 -7.183 3.543
253 3HZ LYS 32 HZ3 LYS 32 -1.150 -7.946 4.609
254 H TYR 33 HN TYR 33 -3.839 -5.297 -0.830
255 HA TYR 33 HA TYR 33 -5.695 -3.435 0.280
256 1HB TYR 33 HB2 TYR 33 -7.326 -5.165 -0.213
257 2HB TYR 33 HB1 TYR 33 -6.097 -5.212 -1.473
258 HD1 TYR 33 HD1 TYR 33 -4.608 -7.099 -1.710
259 HD2 TYR 33 HD2 TYR 33 -7.354 -6.887 1.588
260 HE1 TYR 33 HE1 TYR 33 -4.151 -9.476 -1.175
261 HE2 TYR 33 HE2 TYR 33 -6.894 -9.263 2.123
262 HH TYR 33 HH TYR 33 -4.480 -10.878 1.393
263 H GLN 34 HN GLN 34 -6.986 -3.598 2.220
264 HA GLN 34 HA GLN 34 -5.531 -4.501 4.564
265 1HB GLN 34 HB2 GLN 34 -8.122 -3.178 3.892
266 2HB GLN 34 HB1 GLN 34 -7.993 -3.922 5.487
267 1HG GLN 34 HG2 GLN 34 -6.186 -2.547 6.119
268 2HG GLN 34 HG1 GLN 34 -5.818 -2.111 4.452
269 1HE2 GLN 34 HE21 GLN 34 -6.912 -0.657 7.130
270 2HE2 GLN 34 HE22 GLN 34 -8.057 0.413 6.476
271 H ILE 35 HN ILE 35 -5.352 -6.670 4.955
272 HA ILE 35 HA ILE 35 -7.412 -8.583 4.122
273 HB ILE 35 HB ILE 35 -4.965 -9.010 4.033
274 1HG1 ILE 35 HG12 ILE 35 -6.109 -10.906 6.073
275 2HG1 ILE 35 HG11 ILE 35 -6.811 -10.813 4.458
276 1HG2 ILE 35 HG21 ILE 35 -3.621 -8.588 5.788
277 2HG2 ILE 35 HG22 ILE 35 -4.571 -9.652 6.825
278 3HG2 ILE 35 HG23 ILE 35 -5.019 -7.955 6.655
279 1HD1 ILE 35 HD11 ILE 35 -3.858 -11.252 4.970
280 2HD1 ILE 35 HD12 ILE 35 -4.704 -11.383 3.429
281 3HD1 ILE 35 HD13 ILE 35 -5.006 -12.563 4.705
Start of MODEL 10
1 1H GLU 1 HT1 GLU 1 5.676 11.614 6.283
2 2H GLU 1 HT2 GLU 1 4.370 11.559 5.197
3 3H GLU 1 HT3 GLU 1 5.754 10.614 4.917
4 HA GLU 1 HA GLU 1 5.271 9.421 7.060
5 1HB GLU 1 HB2 GLU 1 3.640 11.597 7.384
6 2HB GLU 1 HB1 GLU 1 2.474 10.383 6.859
7 1HG GLU 1 HG2 GLU 1 4.483 9.841 9.055
8 2HG GLU 1 HG1 GLU 1 2.895 10.533 9.384
9 H CYS 2 HN CYS 2 5.509 7.673 5.597
10 HA CYS 2 HA CYS 2 3.401 7.166 3.577
11 1HB CYS 2 HB2 CYS 2 4.949 5.451 2.814
12 2HB CYS 2 HB1 CYS 2 5.859 6.924 3.135
13 H LEU 3 HN LEU 3 2.378 4.985 3.487
14 HA LEU 3 HA LEU 3 1.547 4.076 6.189
15 1HB LEU 3 HB2 LEU 3 0.628 3.435 3.363
16 2HB LEU 3 HB1 LEU 3 -0.152 2.831 4.824
17 HG LEU 3 HG LEU 3 0.271 5.789 4.408
18 1HD1 LEU 3 HD11 LEU 3 -1.570 3.991 2.981
19 2HD1 LEU 3 HD12 LEU 3 -1.103 5.650 2.608
20 3HD1 LEU 3 HD13 LEU 3 -2.377 5.336 3.787
21 1HD2 LEU 3 HD21 LEU 3 -1.617 4.067 6.041
22 2HD2 LEU 3 HD22 LEU 3 -1.808 5.812 5.868
23 3HD2 LEU 3 HD23 LEU 3 -0.367 5.155 6.644
24 H GLU 4 HN GLU 4 2.440 2.250 7.090
25 HA GLU 4 HA GLU 4 4.497 0.719 5.772
26 1HB GLU 4 HB2 GLU 4 3.330 1.049 8.357
27 2HB GLU 4 HB1 GLU 4 3.326 -0.677 7.994
28 1HG GLU 4 HG2 GLU 4 5.559 -0.813 8.263
29 2HG GLU 4 HG1 GLU 4 5.830 0.546 7.172
30 H ILE 5 HN ILE 5 4.234 -1.844 5.865
31 HA ILE 5 HA ILE 5 2.372 -2.621 3.839
32 HB ILE 5 HB ILE 5 4.511 -3.756 4.344
33 1HG1 ILE 5 HG12 ILE 5 3.635 -6.124 4.354
34 2HG1 ILE 5 HG11 ILE 5 2.028 -5.469 4.661
35 1HG2 ILE 5 HG21 ILE 5 4.463 -3.541 6.794
36 2HG2 ILE 5 HG22 ILE 5 4.666 -5.230 6.330
37 3HG2 ILE 5 HG23 ILE 5 3.093 -4.648 6.876
38 1HD1 ILE 5 HD11 ILE 5 3.673 -5.366 2.179
39 2HD1 ILE 5 HD12 ILE 5 2.677 -3.956 2.541
40 3HD1 ILE 5 HD13 ILE 5 1.928 -5.543 2.365
41 H PHE 6 HN PHE 6 0.458 -3.882 3.982
42 HA PHE 6 HA PHE 6 -1.650 -4.452 4.854
43 1HB PHE 6 HB2 PHE 6 0.334 -5.101 7.030
44 2HB PHE 6 HB1 PHE 6 -1.384 -5.423 7.260
45 HD1 PHE 6 HD1 PHE 6 1.601 -6.869 6.198
46 HD2 PHE 6 HD2 PHE 6 -2.524 -6.532 5.045
47 HE1 PHE 6 HE1 PHE 6 1.807 -8.940 4.850
48 HE2 PHE 6 HE2 PHE 6 -2.317 -8.603 3.698
49 HZ PHE 6 HZ PHE 6 -0.151 -9.807 3.600
50 H LYS 7 HN LYS 7 -0.975 -1.639 5.003
51 HA LYS 7 HA LYS 7 -2.307 -0.835 7.569
52 1HB LYS 7 HB2 LYS 7 0.107 -0.101 6.807
53 2HB LYS 7 HB1 LYS 7 -0.771 1.016 5.761
54 1HG LYS 7 HG2 LYS 7 -0.424 2.250 7.749
55 2HG LYS 7 HG1 LYS 7 -2.085 1.672 7.890
56 1HD LYS 7 HD2 LYS 7 -1.219 1.110 9.984
57 2HD LYS 7 HD1 LYS 7 -0.969 -0.388 9.086
58 1HE LYS 7 HE2 LYS 7 1.358 0.623 8.476
59 2HE LYS 7 HE1 LYS 7 1.064 1.708 9.849
60 1HZ LYS 7 HZ1 LYS 7 2.082 -0.187 10.768
61 2HZ LYS 7 HZ2 LYS 7 1.135 -1.256 9.846
62 3HZ LYS 7 HZ3 LYS 7 0.432 -0.370 11.116
63 H ALA 8 HN ALA 8 -4.238 0.242 7.414
64 HA ALA 8 HA ALA 8 -5.964 0.178 5.248
65 1HB ALA 8 HB1 ALA 8 -7.216 1.876 6.458
66 2HB ALA 8 HB2 ALA 8 -5.755 2.420 7.283
67 3HB ALA 8 HB3 ALA 8 -6.427 0.828 7.635
68 H CYS 9 HN CYS 9 -5.652 0.950 3.215
69 HA CYS 9 HA CYS 9 -4.503 3.703 2.880
70 1HB CYS 9 HB2 CYS 9 -2.891 1.904 2.319
71 2HB CYS 9 HB1 CYS 9 -4.060 1.213 1.193
72 H ASN 10 HN ASN 10 -5.612 4.994 1.397
73 HA ASN 10 HA ASN 10 -8.267 4.085 0.523
74 1HB ASN 10 HB2 ASN 10 -6.745 6.671 0.049
75 2HB ASN 10 HB1 ASN 10 -8.479 6.437 -0.161
76 1HD2 ASN 10 HD21 ASN 10 -9.430 5.270 2.048
77 2HD2 ASN 10 HD22 ASN 10 -8.981 6.080 3.469
78 HA PRO 11 HA PRO 11 -7.212 2.973 -3.602
79 1HB PRO 11 HB2 PRO 11 -9.413 3.854 -4.983
80 2HB PRO 11 HB1 PRO 11 -9.427 2.413 -3.945
81 1HG PRO 11 HG2 PRO 11 -10.390 5.174 -3.363
82 2HG PRO 11 HG1 PRO 11 -11.114 3.614 -2.940
83 1HD PRO 11 HD2 PRO 11 -9.719 5.112 -1.164
84 2HD PRO 11 HD1 PRO 11 -9.768 3.335 -1.098
85 H SER 12 HN SER 12 -8.465 6.296 -3.206
86 HA SER 12 HA SER 12 -6.999 7.248 -5.592
87 1HB SER 12 HB2 SER 12 -9.358 7.917 -4.569
88 2HB SER 12 HB1 SER 12 -8.382 9.006 -3.588
89 HG SER 12 HG SER 12 -7.794 10.089 -5.355
90 H ASN 13 HN ASN 13 -6.743 7.356 -2.055
91 HA ASN 13 HA ASN 13 -4.425 9.206 -2.180
92 1HB ASN 13 HB2 ASN 13 -6.532 8.708 -0.408
93 2HB ASN 13 HB1 ASN 13 -5.119 8.045 0.411
94 1HD2 ASN 13 HD21 ASN 13 -6.312 11.033 -1.185
95 2HD2 ASN 13 HD22 ASN 13 -5.300 12.084 -0.316
96 H ASP 14 HN ASP 14 -3.034 7.611 -3.334
97 HA ASP 14 HA ASP 14 -2.255 5.160 -1.879
98 1HB ASP 14 HB2 ASP 14 -2.340 4.892 -4.215
99 2HB ASP 14 HB1 ASP 14 -1.654 6.486 -4.520
100 H GLN 15 HN GLN 15 -0.899 5.471 -0.139
101 HA GLN 15 HA GLN 15 1.499 7.219 -0.538
102 1HB GLN 15 HB2 GLN 15 -0.760 7.468 1.365
103 2HB GLN 15 HB1 GLN 15 0.840 7.676 2.074
104 1HG GLN 15 HG2 GLN 15 0.086 9.101 -0.474
105 2HG GLN 15 HG1 GLN 15 -0.337 9.775 1.100
106 1HE2 GLN 15 HE21 GLN 15 1.793 10.536 -1.065
107 2HE2 GLN 15 HE22 GLN 15 3.214 10.720 -0.155
108 H CYS 16 HN CYS 16 1.221 4.258 -0.546
109 HA CYS 16 HA CYS 16 2.053 3.154 1.989
110 1HB CYS 16 HB2 CYS 16 2.276 2.261 -0.899
111 2HB CYS 16 HB1 CYS 16 2.768 1.241 0.453
112 H CYS 17 HN CYS 17 4.242 2.346 2.502
113 HA CYS 17 HA CYS 17 6.326 4.289 1.939
114 1HB CYS 17 HB2 CYS 17 6.446 1.540 3.229
115 2HB CYS 17 HB1 CYS 17 7.656 2.810 3.390
116 H LYS 18 HN LYS 18 7.225 4.327 -0.093
117 HA LYS 18 HA LYS 18 7.410 2.041 -1.853
118 1HB LYS 18 HB2 LYS 18 8.092 4.888 -1.781
119 2HB LYS 18 HB1 LYS 18 9.282 3.941 -2.674
120 1HG LYS 18 HG2 LYS 18 7.685 3.154 -4.216
121 2HG LYS 18 HG1 LYS 18 6.333 3.543 -3.153
122 1HD LYS 18 HD2 LYS 18 8.054 5.827 -3.964
123 2HD LYS 18 HD1 LYS 18 7.060 5.112 -5.234
124 1HE LYS 18 HE2 LYS 18 5.117 5.267 -3.494
125 2HE LYS 18 HE1 LYS 18 6.170 6.434 -2.670
126 1HZ LYS 18 HZ1 LYS 18 5.508 6.553 -5.566
127 2HZ LYS 18 HZ2 LYS 18 6.349 7.719 -4.659
128 3HZ LYS 18 HZ3 LYS 18 4.695 7.450 -4.377
129 H SER 19 HN SER 19 9.560 3.395 0.603
130 HA SER 19 HA SER 19 12.034 2.210 -0.159
131 1HB SER 19 HB2 SER 19 10.725 3.118 2.386
132 2HB SER 19 HB1 SER 19 12.265 2.270 2.482
133 HG SER 19 HG SER 19 11.739 4.808 1.728
134 H SER 20 HN SER 20 9.246 0.852 1.582
135 HA SER 20 HA SER 20 10.663 -1.730 1.998
136 1HB SER 20 HB2 SER 20 8.091 -0.448 2.909
137 2HB SER 20 HB1 SER 20 8.337 -2.180 3.111
138 HG SER 20 HG SER 20 9.589 -1.733 4.728
139 H LYS 21 HN LYS 21 9.548 -0.552 -0.701
140 HA LYS 21 HA LYS 21 8.502 -1.384 -2.632
141 1HB LYS 21 HB2 LYS 21 10.103 -3.325 -1.447
142 2HB LYS 21 HB1 LYS 21 8.587 -4.177 -1.740
143 1HG LYS 21 HG2 LYS 21 9.594 -4.483 -3.799
144 2HG LYS 21 HG1 LYS 21 8.774 -2.952 -4.104
145 1HD LYS 21 HD2 LYS 21 10.755 -1.956 -4.483
146 2HD LYS 21 HD1 LYS 21 11.283 -2.377 -2.855
147 1HE LYS 21 HE2 LYS 21 11.369 -4.449 -5.051
148 2HE LYS 21 HE1 LYS 21 12.690 -3.280 -4.859
149 1HZ LYS 21 HZ1 LYS 21 12.760 -3.884 -2.478
150 2HZ LYS 21 HZ2 LYS 21 13.152 -5.187 -3.497
151 3HZ LYS 21 HZ3 LYS 21 11.619 -5.104 -2.770
152 H LEU 22 HN LEU 22 6.593 -0.430 -0.951
153 HA LEU 22 HA LEU 22 4.496 -2.576 -0.826
154 1HB LEU 22 HB2 LEU 22 4.782 0.033 0.705
155 2HB LEU 22 HB1 LEU 22 3.522 -1.175 0.959
156 HG LEU 22 HG LEU 22 6.491 -1.687 1.269
157 1HD1 LEU 22 HD11 LEU 22 5.787 -0.243 3.057
158 2HD1 LEU 22 HD12 LEU 22 5.851 -1.878 3.716
159 3HD1 LEU 22 HD13 LEU 22 4.298 -1.160 3.286
160 1HD2 LEU 22 HD21 LEU 22 4.104 -3.390 1.168
161 2HD2 LEU 22 HD22 LEU 22 5.067 -3.639 2.625
162 3HD2 LEU 22 HD23 LEU 22 5.806 -3.836 1.037
163 H VAL 23 HN VAL 23 2.525 -2.178 -1.837
164 HA VAL 23 HA VAL 23 2.204 0.460 -3.235
165 HB VAL 23 HB VAL 23 1.334 -0.836 -5.173
166 1HG1 VAL 23 HG11 VAL 23 3.761 -0.218 -4.965
167 2HG1 VAL 23 HG12 VAL 23 3.475 -1.649 -5.957
168 3HG1 VAL 23 HG13 VAL 23 4.063 -1.825 -4.304
169 1HG2 VAL 23 HG21 VAL 23 2.150 -3.222 -3.482
170 2HG2 VAL 23 HG22 VAL 23 1.748 -3.310 -5.196
171 3HG2 VAL 23 HG23 VAL 23 0.520 -2.827 -4.027
172 H CYS 24 HN CYS 24 0.167 1.350 -3.031
173 HA CYS 24 HA CYS 24 -1.748 0.214 -1.182
174 1HB CYS 24 HB2 CYS 24 -1.282 2.656 -1.711
175 2HB CYS 24 HB1 CYS 24 -2.136 2.415 -3.236
176 H SER 25 HN SER 25 -2.904 -1.601 -1.763
177 HA SER 25 HA SER 25 -3.855 -1.847 -4.591
178 1HB SER 25 HB2 SER 25 -2.419 -3.589 -3.261
179 2HB SER 25 HB1 SER 25 -3.941 -3.994 -2.476
180 HG SER 25 HG SER 25 -3.076 -4.452 -5.057
181 H ARG 26 HN ARG 26 -5.988 -1.498 -4.976
182 HA ARG 26 HA ARG 26 -7.883 -0.778 -2.930
183 1HB ARG 26 HB2 ARG 26 -7.802 -0.104 -5.375
184 2HB ARG 26 HB1 ARG 26 -8.385 -1.720 -5.771
185 1HG ARG 26 HG2 ARG 26 -10.463 -1.360 -4.693
186 2HG ARG 26 HG1 ARG 26 -9.860 0.046 -3.816
187 1HD ARG 26 HD2 ARG 26 -11.235 0.888 -5.622
188 2HD ARG 26 HD1 ARG 26 -9.550 1.173 -6.098
189 HE ARG 26 HE ARG 26 -10.987 -1.301 -6.982
190 1HH1 ARG 26 HH21 ARG 26 -8.152 -0.955 -7.790
191 2HH1 ARG 26 HH22 ARG 26 -8.285 -0.221 -9.353
192 1HH2 ARG 26 HH11 ARG 26 -11.597 0.730 -8.919
193 2HH2 ARG 26 HH12 ARG 26 -10.239 0.734 -9.993
194 H LYS 27 HN LYS 27 -7.218 -3.812 -4.663
195 HA LYS 27 HA LYS 27 -9.519 -5.316 -3.934
196 1HB LYS 27 HB2 LYS 27 -7.782 -5.942 -5.597
197 2HB LYS 27 HB1 LYS 27 -6.627 -6.182 -4.288
198 1HG LYS 27 HG2 LYS 27 -7.642 -8.131 -3.560
199 2HG LYS 27 HG1 LYS 27 -9.234 -7.646 -4.143
200 1HD LYS 27 HD2 LYS 27 -8.429 -9.428 -5.572
201 2HD LYS 27 HD1 LYS 27 -8.376 -7.926 -6.495
202 1HE LYS 27 HE2 LYS 27 -5.977 -7.700 -6.086
203 2HE LYS 27 HE1 LYS 27 -5.996 -9.129 -5.033
204 1HZ LYS 27 HZ1 LYS 27 -6.784 -10.461 -6.867
205 2HZ LYS 27 HZ2 LYS 27 -5.345 -9.681 -7.323
206 3HZ LYS 27 HZ3 LYS 27 -6.841 -9.104 -7.884
207 H THR 28 HN THR 28 -6.354 -5.047 -2.264
208 HA THR 28 HA THR 28 -7.335 -6.574 0.061
209 HB THR 28 HB THR 28 -5.076 -6.499 0.765
210 HG1 THR 28 HG1 THR 28 -4.851 -4.187 -0.856
211 1HG2 THR 28 HG21 THR 28 -4.724 -6.153 -2.210
212 2HG2 THR 28 HG22 THR 28 -5.499 -7.583 -1.526
213 3HG2 THR 28 HG23 THR 28 -3.826 -7.205 -1.116
214 H ARG 29 HN ARG 29 -7.167 -3.259 -0.932
215 HA ARG 29 HA ARG 29 -7.992 -1.313 0.087
216 1HB ARG 29 HB2 ARG 29 -9.470 -3.310 1.132
217 2HB ARG 29 HB1 ARG 29 -8.676 -2.748 2.604
218 1HG ARG 29 HG2 ARG 29 -9.763 -0.735 2.583
219 2HG ARG 29 HG1 ARG 29 -9.732 -0.623 0.824
220 1HD ARG 29 HD2 ARG 29 -12.035 -0.944 1.354
221 2HD ARG 29 HD1 ARG 29 -11.473 -2.557 0.874
222 HE ARG 29 HE ARG 29 -11.957 -3.219 3.082
223 1HH1 ARG 29 HH21 ARG 29 -12.941 -0.180 3.352
224 2HH1 ARG 29 HH22 ARG 29 -12.231 0.183 4.889
225 1HH2 ARG 29 HH11 ARG 29 -10.199 -2.636 4.921
226 2HH2 ARG 29 HH12 ARG 29 -10.676 -1.209 5.778
227 H TRP 30 HN TRP 30 -5.205 -2.618 0.713
228 HA TRP 30 HA TRP 30 -4.393 -0.506 2.588
229 1HB TRP 30 HB2 TRP 30 -3.416 -2.132 4.209
230 2HB TRP 30 HB1 TRP 30 -5.167 -2.245 4.116
231 HD1 TRP 30 HD1 TRP 30 -2.347 -3.911 2.006
232 HE1 TRP 30 HE1 TRP 30 -2.827 -6.440 1.919
233 HE3 TRP 30 HE3 TRP 30 -6.549 -4.107 4.898
234 HZ2 TRP 30 HZ2 TRP 30 -4.742 -8.303 2.943
235 HZ3 TRP 30 HZ3 TRP 30 -7.679 -6.269 5.328
236 HH2 TRP 30 HH2 TRP 30 -6.782 -8.366 4.356
237 H CYS 31 HN CYS 31 -1.866 -0.959 3.096
238 HA CYS 31 HA CYS 31 -0.515 -0.891 0.540
239 1HB CYS 31 HB2 CYS 31 0.359 -1.067 3.430
240 2HB CYS 31 HB1 CYS 31 1.520 -0.957 2.108
241 H LYS 32 HN LYS 32 0.202 -2.596 -0.661
242 HA LYS 32 HA LYS 32 0.448 -5.277 0.669
243 1HB LYS 32 HB2 LYS 32 -1.235 -4.459 -1.329
244 2HB LYS 32 HB1 LYS 32 0.123 -5.079 -2.267
245 1HG LYS 32 HG2 LYS 32 -0.796 -6.741 0.025
246 2HG LYS 32 HG1 LYS 32 -1.854 -6.668 -1.383
247 1HD LYS 32 HD2 LYS 32 0.917 -7.009 -2.184
248 2HD LYS 32 HD1 LYS 32 0.415 -8.289 -1.080
249 1HE LYS 32 HE2 LYS 32 -1.678 -8.545 -2.545
250 2HE LYS 32 HE1 LYS 32 -0.836 -7.532 -3.734
251 1HZ LYS 32 HZ1 LYS 32 1.063 -9.044 -3.606
252 2HZ LYS 32 HZ2 LYS 32 -0.336 -9.861 -4.117
253 3HZ LYS 32 HZ3 LYS 32 0.217 -10.035 -2.520
254 H TYR 33 HN TYR 33 2.262 -6.565 0.089
255 HA TYR 33 HA TYR 33 4.691 -5.142 -0.607
256 1HB TYR 33 HB2 TYR 33 5.720 -7.281 -0.221
257 2HB TYR 33 HB1 TYR 33 4.381 -7.170 0.917
258 HD1 TYR 33 HD1 TYR 33 5.631 -8.795 -2.140
259 HD2 TYR 33 HD2 TYR 33 2.344 -8.512 0.611
260 HE1 TYR 33 HE1 TYR 33 4.672 -10.882 -3.073
261 HE2 TYR 33 HE2 TYR 33 1.382 -10.597 -0.323
262 HH TYR 33 HH TYR 33 1.889 -11.809 -3.032
263 H GLN 34 HN GLN 34 5.908 -5.308 -2.558
264 HA GLN 34 HA GLN 34 4.399 -5.564 -5.007
265 1HB GLN 34 HB2 GLN 34 7.039 -4.784 -4.084
266 2HB GLN 34 HB1 GLN 34 7.164 -5.751 -5.553
267 1HG GLN 34 HG2 GLN 34 4.976 -3.940 -5.880
268 2HG GLN 34 HG1 GLN 34 6.365 -3.017 -5.307
269 1HE2 GLN 34 HE21 GLN 34 8.491 -3.473 -6.563
270 2HE2 GLN 34 HE22 GLN 34 8.355 -3.766 -8.230
271 H ILE 35 HN ILE 35 4.086 -7.353 -6.297
272 HA ILE 35 HA ILE 35 5.279 -9.936 -5.411
273 HB ILE 35 HB ILE 35 2.784 -9.546 -5.737
274 1HG1 ILE 35 HG12 ILE 35 2.858 -11.674 -7.515
275 2HG1 ILE 35 HG11 ILE 35 4.447 -11.737 -6.755
276 1HG2 ILE 35 HG21 ILE 35 3.097 -8.181 -7.851
277 2HG2 ILE 35 HG22 ILE 35 1.888 -9.459 -7.970
278 3HG2 ILE 35 HG23 ILE 35 3.484 -9.687 -8.682
279 1HD1 ILE 35 HD11 ILE 35 2.764 -13.063 -5.499
280 2HD1 ILE 35 HD12 ILE 35 1.815 -11.596 -5.257
281 3HD1 ILE 35 HD13 ILE 35 3.416 -11.739 -4.533
Start of MODEL 11
1 1H GLU 1 HT1 GLU 1 3.879 11.907 2.630
2 2H GLU 1 HT2 GLU 1 5.051 11.082 3.542
3 3H GLU 1 HT3 GLU 1 4.479 12.595 4.060
4 HA GLU 1 HA GLU 1 3.486 10.782 5.362
5 1HB GLU 1 HB2 GLU 1 1.939 12.600 3.528
6 2HB GLU 1 HB1 GLU 1 1.065 11.539 4.633
7 1HG GLU 1 HG2 GLU 1 3.321 13.006 5.856
8 2HG GLU 1 HG1 GLU 1 1.989 14.023 5.308
9 H CYS 2 HN CYS 2 4.485 8.944 3.730
10 HA CYS 2 HA CYS 2 2.383 7.759 2.014
11 1HB CYS 2 HB2 CYS 2 4.178 6.267 1.341
12 2HB CYS 2 HB1 CYS 2 4.812 7.909 1.390
13 H LEU 3 HN LEU 3 2.056 5.294 2.299
14 HA LEU 3 HA LEU 3 1.581 4.734 5.201
15 1HB LEU 3 HB2 LEU 3 0.373 3.557 2.674
16 2HB LEU 3 HB1 LEU 3 -0.158 3.217 4.320
17 HG LEU 3 HG LEU 3 -0.073 6.039 3.244
18 1HD1 LEU 3 HD11 LEU 3 -2.427 5.826 2.660
19 2HD1 LEU 3 HD12 LEU 3 -2.438 4.143 3.187
20 3HD1 LEU 3 HD13 LEU 3 -1.501 4.618 1.770
21 1HD2 LEU 3 HD21 LEU 3 -1.443 4.616 5.536
22 2HD2 LEU 3 HD22 LEU 3 -1.917 6.230 5.008
23 3HD2 LEU 3 HD23 LEU 3 -0.289 5.947 5.622
24 H GLU 4 HN GLU 4 2.759 3.127 6.155
25 HA GLU 4 HA GLU 4 4.779 1.638 4.680
26 1HB GLU 4 HB2 GLU 4 3.934 2.178 7.427
27 2HB GLU 4 HB1 GLU 4 4.470 0.510 7.219
28 1HG GLU 4 HG2 GLU 4 6.629 1.123 6.665
29 2HG GLU 4 HG1 GLU 4 6.128 2.675 5.991
30 H ILE 5 HN ILE 5 4.808 -0.895 5.548
31 HA ILE 5 HA ILE 5 2.869 -2.284 3.969
32 HB ILE 5 HB ILE 5 5.158 -3.061 4.610
33 1HG1 ILE 5 HG12 ILE 5 4.415 -5.439 5.280
34 2HG1 ILE 5 HG11 ILE 5 2.772 -4.804 5.252
35 1HG2 ILE 5 HG21 ILE 5 5.112 -2.317 6.960
36 2HG2 ILE 5 HG22 ILE 5 5.483 -4.038 6.858
37 3HG2 ILE 5 HG23 ILE 5 3.865 -3.511 7.319
38 1HD1 ILE 5 HD11 ILE 5 3.289 -3.958 2.894
39 2HD1 ILE 5 HD12 ILE 5 3.145 -5.706 3.076
40 3HD1 ILE 5 HD13 ILE 5 4.739 -4.960 2.963
41 H PHE 6 HN PHE 6 1.134 -3.677 4.656
42 HA PHE 6 HA PHE 6 -0.850 -4.130 5.841
43 1HB PHE 6 HB2 PHE 6 1.317 -3.938 7.939
44 2HB PHE 6 HB1 PHE 6 -0.331 -4.399 8.362
45 HD1 PHE 6 HD1 PHE 6 -1.338 -6.138 6.427
46 HD2 PHE 6 HD2 PHE 6 2.752 -5.754 7.687
47 HE1 PHE 6 HE1 PHE 6 -0.885 -8.453 5.666
48 HE2 PHE 6 HE2 PHE 6 3.203 -8.070 6.926
49 HZ PHE 6 HZ PHE 6 1.385 -9.420 5.915
50 H LYS 7 HN LYS 7 -0.551 -1.380 5.119
51 HA LYS 7 HA LYS 7 -1.764 0.010 7.489
52 1HB LYS 7 HB2 LYS 7 0.492 0.786 6.642
53 2HB LYS 7 HB1 LYS 7 -0.289 1.200 5.116
54 1HG LYS 7 HG2 LYS 7 -0.274 3.224 6.361
55 2HG LYS 7 HG1 LYS 7 -1.919 2.607 6.517
56 1HD LYS 7 HD2 LYS 7 -0.138 1.545 8.580
57 2HD LYS 7 HD1 LYS 7 -0.235 3.306 8.621
58 1HE LYS 7 HE2 LYS 7 -2.851 1.998 8.228
59 2HE LYS 7 HE1 LYS 7 -2.087 1.631 9.786
60 1HZ LYS 7 HZ1 LYS 7 -2.347 4.361 8.635
61 2HZ LYS 7 HZ2 LYS 7 -1.720 3.962 10.164
62 3HZ LYS 7 HZ3 LYS 7 -3.368 3.723 9.830
63 H ALA 8 HN ALA 8 -3.896 0.526 7.203
64 HA ALA 8 HA ALA 8 -5.485 -0.117 4.980
65 1HB ALA 8 HB1 ALA 8 -6.331 0.434 7.214
66 2HB ALA 8 HB2 ALA 8 -7.096 1.484 6.021
67 3HB ALA 8 HB3 ALA 8 -5.788 2.102 7.031
68 H CYS 9 HN CYS 9 -5.479 0.693 2.937
69 HA CYS 9 HA CYS 9 -4.751 3.576 2.528
70 1HB CYS 9 HB2 CYS 9 -2.922 1.923 2.039
71 2HB CYS 9 HB1 CYS 9 -3.971 1.186 0.828
72 H ASN 10 HN ASN 10 -5.741 4.535 0.621
73 HA ASN 10 HA ASN 10 -8.341 3.285 -0.090
74 1HB ASN 10 HB2 ASN 10 -7.212 5.949 0.242
75 2HB ASN 10 HB1 ASN 10 -8.076 5.811 -1.291
76 1HD2 ASN 10 HD21 ASN 10 -8.524 4.944 2.193
77 2HD2 ASN 10 HD22 ASN 10 -10.192 5.257 2.201
78 HA PRO 11 HA PRO 11 -6.776 2.023 -4.034
79 1HB PRO 11 HB2 PRO 11 -9.169 1.688 -5.324
80 2HB PRO 11 HB1 PRO 11 -8.541 0.541 -4.123
81 1HG PRO 11 HG2 PRO 11 -10.596 2.672 -3.810
82 2HG PRO 11 HG1 PRO 11 -10.548 1.041 -3.122
83 1HD PRO 11 HD2 PRO 11 -9.907 3.283 -1.715
84 2HD PRO 11 HD1 PRO 11 -9.223 1.679 -1.367
85 H SER 12 HN SER 12 -9.190 4.640 -3.818
86 HA SER 12 HA SER 12 -8.759 5.660 -6.501
87 1HB SER 12 HB2 SER 12 -10.742 5.983 -4.899
88 2HB SER 12 HB1 SER 12 -9.743 7.175 -4.071
89 HG SER 12 HG SER 12 -11.205 7.875 -5.880
90 H ASN 13 HN ASN 13 -7.357 6.387 -3.303
91 HA ASN 13 HA ASN 13 -5.373 8.163 -4.685
92 1HB ASN 13 HB2 ASN 13 -7.246 8.675 -2.588
93 2HB ASN 13 HB1 ASN 13 -5.630 8.753 -1.884
94 1HD2 ASN 13 HD21 ASN 13 -7.377 9.909 -4.833
95 2HD2 ASN 13 HD22 ASN 13 -6.567 11.399 -4.903
96 H ASP 14 HN ASP 14 -4.240 5.998 -4.902
97 HA ASP 14 HA ASP 14 -3.256 4.481 -2.690
98 1HB ASP 14 HB2 ASP 14 -2.521 4.967 -5.559
99 2HB ASP 14 HB1 ASP 14 -1.389 4.073 -4.547
100 H GLN 15 HN GLN 15 -2.039 5.382 -1.039
101 HA GLN 15 HA GLN 15 0.174 7.268 -1.797
102 1HB GLN 15 HB2 GLN 15 -1.965 7.354 0.309
103 2HB GLN 15 HB1 GLN 15 -0.408 8.104 0.659
104 1HG GLN 15 HG2 GLN 15 -0.610 9.395 -1.484
105 2HG GLN 15 HG1 GLN 15 -2.233 8.735 -1.679
106 1HE2 GLN 15 HE21 GLN 15 -0.373 11.199 -0.079
107 2HE2 GLN 15 HE22 GLN 15 -1.637 11.833 0.859
108 H CYS 16 HN CYS 16 0.803 4.619 -1.719
109 HA CYS 16 HA CYS 16 1.632 3.771 0.973
110 1HB CYS 16 HB2 CYS 16 0.825 2.438 -1.174
111 2HB CYS 16 HB1 CYS 16 2.537 2.498 -1.586
112 H CYS 17 HN CYS 17 3.967 3.121 1.327
113 HA CYS 17 HA CYS 17 5.763 5.330 0.617
114 1HB CYS 17 HB2 CYS 17 6.179 2.731 2.140
115 2HB CYS 17 HB1 CYS 17 7.310 4.082 2.112
116 H LYS 18 HN LYS 18 6.141 5.145 -1.647
117 HA LYS 18 HA LYS 18 6.786 2.725 -3.037
118 1HB LYS 18 HB2 LYS 18 6.048 4.895 -4.026
119 2HB LYS 18 HB1 LYS 18 7.616 5.589 -3.613
120 1HG LYS 18 HG2 LYS 18 8.604 4.639 -5.405
121 2HG LYS 18 HG1 LYS 18 7.909 3.062 -5.030
122 1HD LYS 18 HD2 LYS 18 7.026 3.706 -7.166
123 2HD LYS 18 HD1 LYS 18 5.722 3.917 -5.998
124 1HE LYS 18 HE2 LYS 18 5.625 5.956 -7.151
125 2HE LYS 18 HE1 LYS 18 6.722 6.380 -5.823
126 1HZ LYS 18 HZ1 LYS 18 7.638 5.281 -8.426
127 2HZ LYS 18 HZ2 LYS 18 8.603 5.917 -7.180
128 3HZ LYS 18 HZ3 LYS 18 7.590 6.940 -8.080
129 H SER 19 HN SER 19 8.790 5.017 -1.218
130 HA SER 19 HA SER 19 11.361 4.119 -2.127
131 1HB SER 19 HB2 SER 19 12.022 5.145 0.150
132 2HB SER 19 HB1 SER 19 11.195 6.199 -0.993
133 HG SER 19 HG SER 19 10.097 6.448 0.875
134 H SER 20 HN SER 20 9.119 2.860 0.297
135 HA SER 20 HA SER 20 11.128 0.913 1.298
136 1HB SER 20 HB2 SER 20 9.409 2.305 2.660
137 2HB SER 20 HB1 SER 20 8.219 1.148 2.071
138 HG SER 20 HG SER 20 10.307 0.830 3.875
139 H LYS 21 HN LYS 21 9.652 0.906 -1.498
140 HA LYS 21 HA LYS 21 8.830 -0.738 -2.967
141 1HB LYS 21 HB2 LYS 21 10.773 -1.830 -1.240
142 2HB LYS 21 HB1 LYS 21 9.480 -3.026 -1.294
143 1HG LYS 21 HG2 LYS 21 10.906 -3.575 -3.117
144 2HG LYS 21 HG1 LYS 21 9.533 -2.742 -3.843
145 1HD LYS 21 HD2 LYS 21 11.337 -1.662 -4.863
146 2HD LYS 21 HD1 LYS 21 11.001 -0.593 -3.501
147 1HE LYS 21 HE2 LYS 21 12.718 -2.159 -2.230
148 2HE LYS 21 HE1 LYS 21 13.278 -2.520 -3.873
149 1HZ LYS 21 HZ1 LYS 21 14.233 -0.531 -3.983
150 2HZ LYS 21 HZ2 LYS 21 13.783 -0.221 -2.376
151 3HZ LYS 21 HZ3 LYS 21 12.763 0.246 -3.650
152 H LEU 22 HN LEU 22 6.812 0.351 -1.442
153 HA LEU 22 HA LEU 22 5.100 -2.031 -0.798
154 1HB LEU 22 HB2 LEU 22 5.427 0.617 0.645
155 2HB LEU 22 HB1 LEU 22 4.113 -0.509 0.982
156 HG LEU 22 HG LEU 22 7.030 -1.311 1.095
157 1HD1 LEU 22 HD11 LEU 22 5.623 0.406 2.874
158 2HD1 LEU 22 HD12 LEU 22 7.222 -0.304 3.094
159 3HD1 LEU 22 HD13 LEU 22 5.792 -1.153 3.679
160 1HD2 LEU 22 HD21 LEU 22 5.794 -3.279 0.968
161 2HD2 LEU 22 HD22 LEU 22 4.390 -2.571 1.765
162 3HD2 LEU 22 HD23 LEU 22 5.809 -3.020 2.712
163 H VAL 23 HN VAL 23 2.954 -1.875 -1.538
164 HA VAL 23 HA VAL 23 2.135 0.664 -2.902
165 HB VAL 23 HB VAL 23 1.254 -0.853 -4.752
166 1HG1 VAL 23 HG11 VAL 23 4.253 -0.974 -4.329
167 2HG1 VAL 23 HG12 VAL 23 3.396 0.468 -4.873
168 3HG1 VAL 23 HG13 VAL 23 3.395 -0.988 -5.869
169 1HG2 VAL 23 HG21 VAL 23 1.495 -2.919 -3.187
170 2HG2 VAL 23 HG22 VAL 23 3.192 -2.895 -3.662
171 3HG2 VAL 23 HG23 VAL 23 1.938 -3.109 -4.883
172 H CYS 24 HN CYS 24 -0.174 0.946 -2.997
173 HA CYS 24 HA CYS 24 -1.644 -0.353 -0.821
174 1HB CYS 24 HB2 CYS 24 -2.315 1.688 -2.958
175 2HB CYS 24 HB1 CYS 24 -3.454 1.199 -1.706
176 H SER 25 HN SER 25 -2.477 -2.385 -1.157
177 HA SER 25 HA SER 25 -3.456 -3.114 -3.892
178 1HB SER 25 HB2 SER 25 -1.713 -4.358 -2.202
179 2HB SER 25 HB1 SER 25 -3.222 -5.139 -1.739
180 HG SER 25 HG SER 25 -2.839 -6.303 -3.454
181 H ARG 26 HN ARG 26 -5.638 -3.449 -4.194
182 HA ARG 26 HA ARG 26 -7.524 -2.868 -2.046
183 1HB ARG 26 HB2 ARG 26 -7.693 -2.353 -4.553
184 2HB ARG 26 HB1 ARG 26 -8.086 -4.058 -4.774
185 1HG ARG 26 HG2 ARG 26 -9.886 -3.652 -2.939
186 2HG ARG 26 HG1 ARG 26 -9.651 -1.942 -3.303
187 1HD ARG 26 HD2 ARG 26 -10.058 -2.516 -5.754
188 2HD ARG 26 HD1 ARG 26 -10.580 -4.120 -5.200
189 HE ARG 26 HE ARG 26 -12.067 -2.558 -3.576
190 1HH1 ARG 26 HH21 ARG 26 -11.537 -0.260 -5.500
191 2HH1 ARG 26 HH22 ARG 26 -12.929 -0.349 -6.528
192 1HH2 ARG 26 HH11 ARG 26 -13.800 -3.558 -5.520
193 2HH2 ARG 26 HH12 ARG 26 -14.213 -2.220 -6.539
194 H LYS 27 HN LYS 27 -6.301 -5.807 -3.613
195 HA LYS 27 HA LYS 27 -8.247 -7.687 -2.716
196 1HB LYS 27 HB2 LYS 27 -6.404 -8.029 -4.386
197 2HB LYS 27 HB1 LYS 27 -5.247 -8.038 -3.055
198 1HG LYS 27 HG2 LYS 27 -7.548 -9.863 -2.709
199 2HG LYS 27 HG1 LYS 27 -6.466 -10.282 -4.036
200 1HD LYS 27 HD2 LYS 27 -4.885 -9.520 -1.763
201 2HD LYS 27 HD1 LYS 27 -6.063 -10.729 -1.256
202 1HE LYS 27 HE2 LYS 27 -5.348 -12.099 -3.299
203 2HE LYS 27 HE1 LYS 27 -3.985 -10.972 -3.449
204 1HZ LYS 27 HZ1 LYS 27 -4.695 -12.557 -1.034
205 2HZ LYS 27 HZ2 LYS 27 -3.449 -11.404 -1.109
206 3HZ LYS 27 HZ3 LYS 27 -3.357 -12.820 -2.043
207 H THR 28 HN THR 28 -5.299 -6.450 -1.121
208 HA THR 28 HA THR 28 -5.891 -8.029 1.327
209 HB THR 28 HB THR 28 -3.668 -7.217 2.003
210 HG1 THR 28 HG1 THR 28 -2.574 -5.767 0.709
211 1HG2 THR 28 HG21 THR 28 -3.935 -9.132 0.366
212 2HG2 THR 28 HG22 THR 28 -2.373 -8.318 0.309
213 3HG2 THR 28 HG23 THR 28 -3.588 -7.980 -0.923
214 H ARG 29 HN ARG 29 -6.590 -4.930 0.049
215 HA ARG 29 HA ARG 29 -7.716 -3.093 0.982
216 1HB ARG 29 HB2 ARG 29 -8.341 -5.326 2.557
217 2HB ARG 29 HB1 ARG 29 -7.892 -4.073 3.715
218 1HG ARG 29 HG2 ARG 29 -9.477 -2.515 2.678
219 2HG ARG 29 HG1 ARG 29 -9.899 -3.728 1.469
220 1HD ARG 29 HD2 ARG 29 -11.319 -4.788 2.894
221 2HD ARG 29 HD1 ARG 29 -10.139 -4.740 4.218
222 HE ARG 29 HE ARG 29 -11.173 -2.758 4.974
223 1HH1 ARG 29 HH21 ARG 29 -13.592 -3.657 3.298
224 2HH1 ARG 29 HH22 ARG 29 -13.937 -2.203 2.423
225 1HH2 ARG 29 HH11 ARG 29 -10.869 -0.735 3.133
226 2HH2 ARG 29 HH12 ARG 29 -12.391 -0.545 2.330
227 H TRP 30 HN TRP 30 -4.628 -3.784 1.504
228 HA TRP 30 HA TRP 30 -4.144 -1.271 2.952
229 1HB TRP 30 HB2 TRP 30 -2.776 -2.405 4.707
230 2HB TRP 30 HB1 TRP 30 -4.475 -2.851 4.782
231 HD1 TRP 30 HD1 TRP 30 -1.498 -4.279 2.721
232 HE1 TRP 30 HE1 TRP 30 -1.485 -6.836 3.030
233 HE3 TRP 30 HE3 TRP 30 -5.441 -4.799 5.922
234 HZ2 TRP 30 HZ2 TRP 30 -2.952 -8.839 4.451
235 HZ3 TRP 30 HZ3 TRP 30 -6.109 -7.040 6.739
236 HH2 TRP 30 HH2 TRP 30 -4.870 -9.060 6.009
237 H CYS 31 HN CYS 31 -1.576 -1.131 3.286
238 HA CYS 31 HA CYS 31 -0.401 -1.264 0.648
239 1HB CYS 31 HB2 CYS 31 0.286 -0.379 3.388
240 2HB CYS 31 HB1 CYS 31 1.666 -0.803 2.376
241 H LYS 32 HN LYS 32 0.773 -2.902 -0.264
242 HA LYS 32 HA LYS 32 1.820 -5.084 1.512
243 1HB LYS 32 HB2 LYS 32 -0.318 -5.621 0.292
244 2HB LYS 32 HB1 LYS 32 0.538 -5.360 -1.228
245 1HG LYS 32 HG2 LYS 32 1.320 -7.467 -1.154
246 2HG LYS 32 HG1 LYS 32 2.124 -7.116 0.375
247 1HD LYS 32 HD2 LYS 32 0.530 -8.174 1.596
248 2HD LYS 32 HD1 LYS 32 -0.783 -7.516 0.619
249 1HE LYS 32 HE2 LYS 32 -0.609 -9.234 -0.997
250 2HE LYS 32 HE1 LYS 32 1.027 -9.680 -0.472
251 1HZ LYS 32 HZ1 LYS 32 -1.420 -9.912 1.205
252 2HZ LYS 32 HZ2 LYS 32 0.150 -10.393 1.644
253 3HZ LYS 32 HZ3 LYS 32 -0.674 -11.206 0.402
254 H TYR 33 HN TYR 33 3.749 -6.132 0.664
255 HA TYR 33 HA TYR 33 5.662 -4.417 -0.563
256 1HB TYR 33 HB2 TYR 33 5.474 -7.057 0.538
257 2HB TYR 33 HB1 TYR 33 6.334 -7.163 -0.998
258 HD1 TYR 33 HD1 TYR 33 6.474 -6.038 2.450
259 HD2 TYR 33 HD2 TYR 33 8.338 -5.684 -1.406
260 HE1 TYR 33 HE1 TYR 33 8.499 -5.084 3.515
261 HE2 TYR 33 HE2 TYR 33 10.364 -4.731 -0.338
262 HH TYR 33 HH TYR 33 10.560 -3.367 2.334
263 H GLN 34 HN GLN 34 6.291 -4.134 -2.689
264 HA GLN 34 HA GLN 34 4.501 -5.212 -4.792
265 1HB GLN 34 HB2 GLN 34 5.708 -3.517 -6.178
266 2HB GLN 34 HB1 GLN 34 5.008 -2.820 -4.719
267 1HG GLN 34 HG2 GLN 34 7.045 -2.353 -3.809
268 2HG GLN 34 HG1 GLN 34 7.766 -3.846 -4.408
269 1HE2 GLN 34 HE21 GLN 34 8.399 -3.866 -6.765
270 2HE2 GLN 34 HE22 GLN 34 8.802 -2.400 -7.520
271 H ILE 35 HN ILE 35 5.855 -7.348 -3.920
272 HA ILE 35 HA ILE 35 8.276 -7.684 -5.636
273 HB ILE 35 HB ILE 35 8.244 -8.146 -3.132
274 1HG1 ILE 35 HG12 ILE 35 8.857 -10.769 -4.359
275 2HG1 ILE 35 HG11 ILE 35 9.598 -9.386 -5.164
276 1HG2 ILE 35 HG21 ILE 35 5.926 -9.208 -3.242
277 2HG2 ILE 35 HG22 ILE 35 7.127 -10.100 -2.309
278 3HG2 ILE 35 HG23 ILE 35 6.707 -10.628 -3.938
279 1HD1 ILE 35 HD11 ILE 35 9.842 -10.131 -2.236
280 2HD1 ILE 35 HD12 ILE 35 10.436 -8.616 -2.917
281 3HD1 ILE 35 HD13 ILE 35 11.124 -10.151 -3.448
Start of MODEL 12
1 1H GLU 1 HT1 GLU 1 3.673 10.591 6.584
2 2H GLU 1 HT2 GLU 1 4.572 10.779 8.012
3 3H GLU 1 HT3 GLU 1 3.423 9.533 7.887
4 HA GLU 1 HA GLU 1 5.950 9.739 6.316
5 1HB GLU 1 HB2 GLU 1 5.020 8.345 8.802
6 2HB GLU 1 HB1 GLU 1 6.178 7.513 7.763
7 1HG GLU 1 HG2 GLU 1 7.588 9.625 7.829
8 2HG GLU 1 HG1 GLU 1 6.506 10.212 9.092
9 H CYS 2 HN CYS 2 6.351 7.492 5.290
10 HA CYS 2 HA CYS 2 4.129 6.794 3.573
11 1HB CYS 2 HB2 CYS 2 5.721 5.259 2.622
12 2HB CYS 2 HB1 CYS 2 6.630 6.688 3.108
13 H LEU 3 HN LEU 3 3.169 4.593 3.439
14 HA LEU 3 HA LEU 3 2.644 3.486 6.156
15 1HB LEU 3 HB2 LEU 3 1.301 3.085 3.460
16 2HB LEU 3 HB1 LEU 3 0.714 2.437 4.990
17 HG LEU 3 HG LEU 3 1.076 5.385 4.362
18 1HD1 LEU 3 HD11 LEU 3 -1.142 5.488 3.821
19 2HD1 LEU 3 HD12 LEU 3 -1.587 4.225 4.968
20 3HD1 LEU 3 HD13 LEU 3 -0.898 3.792 3.404
21 1HD2 LEU 3 HD21 LEU 3 1.379 5.108 6.709
22 2HD2 LEU 3 HD22 LEU 3 0.132 3.864 6.803
23 3HD2 LEU 3 HD23 LEU 3 -0.320 5.546 6.527
24 H GLU 4 HN GLU 4 3.822 1.717 6.739
25 HA GLU 4 HA GLU 4 5.466 0.192 4.930
26 1HB GLU 4 HB2 GLU 4 4.447 -0.224 7.756
27 2HB GLU 4 HB1 GLU 4 5.621 -1.298 6.998
28 1HG GLU 4 HG2 GLU 4 7.313 0.238 7.122
29 2HG GLU 4 HG1 GLU 4 6.234 1.600 6.821
30 H ILE 5 HN ILE 5 5.111 -2.434 5.251
31 HA ILE 5 HA ILE 5 2.861 -3.118 3.600
32 HB ILE 5 HB ILE 5 5.038 -4.344 3.799
33 1HG1 ILE 5 HG12 ILE 5 3.919 -6.681 4.011
34 2HG1 ILE 5 HG11 ILE 5 2.419 -5.781 4.223
35 1HG2 ILE 5 HG21 ILE 5 3.877 -5.184 6.475
36 2HG2 ILE 5 HG22 ILE 5 5.348 -4.248 6.216
37 3HG2 ILE 5 HG23 ILE 5 5.279 -5.937 5.715
38 1HD1 ILE 5 HD11 ILE 5 3.179 -4.500 2.074
39 2HD1 ILE 5 HD12 ILE 5 2.474 -6.108 1.907
40 3HD1 ILE 5 HD13 ILE 5 4.223 -5.899 1.822
41 H PHE 6 HN PHE 6 0.969 -4.348 4.161
42 HA PHE 6 HA PHE 6 -0.935 -4.837 5.453
43 1HB PHE 6 HB2 PHE 6 1.191 -5.124 7.604
44 2HB PHE 6 HB1 PHE 6 -0.414 -5.853 7.628
45 HD1 PHE 6 HD1 PHE 6 -0.795 -6.854 4.917
46 HD2 PHE 6 HD2 PHE 6 2.757 -6.839 7.338
47 HE1 PHE 6 HE1 PHE 6 0.080 -8.797 3.649
48 HE2 PHE 6 HE2 PHE 6 3.628 -8.781 6.070
49 HZ PHE 6 HZ PHE 6 2.292 -9.761 4.226
50 H LYS 7 HN LYS 7 -0.140 -2.007 5.249
51 HA LYS 7 HA LYS 7 -1.119 -0.973 7.891
52 1HB LYS 7 HB2 LYS 7 0.717 0.104 5.745
53 2HB LYS 7 HB1 LYS 7 -0.017 1.175 6.937
54 1HG LYS 7 HG2 LYS 7 1.504 -1.308 7.749
55 2HG LYS 7 HG1 LYS 7 2.309 0.242 7.507
56 1HD LYS 7 HD2 LYS 7 -0.105 0.473 9.150
57 2HD LYS 7 HD1 LYS 7 1.103 -0.597 9.861
58 1HE LYS 7 HE2 LYS 7 2.503 1.669 8.836
59 2HE LYS 7 HE1 LYS 7 1.126 2.272 9.777
60 1HZ LYS 7 HZ1 LYS 7 1.729 0.744 11.562
61 2HZ LYS 7 HZ2 LYS 7 3.008 1.810 11.224
62 3HZ LYS 7 HZ3 LYS 7 3.069 0.204 10.672
63 H ALA 8 HN ALA 8 -3.083 0.051 7.860
64 HA ALA 8 HA ALA 8 -4.909 -0.021 5.737
65 1HB ALA 8 HB1 ALA 8 -4.655 2.023 7.968
66 2HB ALA 8 HB2 ALA 8 -5.415 0.438 8.116
67 3HB ALA 8 HB3 ALA 8 -6.130 1.665 7.071
68 H CYS 9 HN CYS 9 -4.844 0.973 3.774
69 HA CYS 9 HA CYS 9 -3.536 3.668 3.567
70 1HB CYS 9 HB2 CYS 9 -2.833 2.945 1.320
71 2HB CYS 9 HB1 CYS 9 -2.278 1.789 2.528
72 H ASN 10 HN ASN 10 -4.398 4.843 1.507
73 HA ASN 10 HA ASN 10 -7.364 4.740 1.600
74 1HB ASN 10 HB2 ASN 10 -5.565 6.767 1.726
75 2HB ASN 10 HB1 ASN 10 -5.888 6.760 -0.008
76 1HD2 ASN 10 HD21 ASN 10 -7.879 7.648 -0.713
77 2HD2 ASN 10 HD22 ASN 10 -9.100 8.179 0.339
78 HA PRO 11 HA PRO 11 -7.579 2.723 -2.337
79 1HB PRO 11 HB2 PRO 11 -10.142 3.429 -3.013
80 2HB PRO 11 HB1 PRO 11 -9.764 2.183 -1.807
81 1HG PRO 11 HG2 PRO 11 -10.564 5.023 -1.405
82 2HG PRO 11 HG1 PRO 11 -11.035 3.577 -0.497
83 1HD PRO 11 HD2 PRO 11 -9.166 5.343 0.385
84 2HD PRO 11 HD1 PRO 11 -9.148 3.615 0.803
85 H SER 12 HN SER 12 -8.699 6.112 -2.086
86 HA SER 12 HA SER 12 -8.041 6.593 -4.948
87 1HB SER 12 HB2 SER 12 -10.153 7.362 -3.648
88 2HB SER 12 HB1 SER 12 -9.095 8.569 -2.920
89 HG SER 12 HG SER 12 -9.674 9.612 -4.683
90 H ASN 13 HN ASN 13 -6.253 6.485 -2.176
91 HA ASN 13 HA ASN 13 -4.331 8.507 -3.209
92 1HB ASN 13 HB2 ASN 13 -6.009 8.692 -0.827
93 2HB ASN 13 HB1 ASN 13 -4.297 8.804 -0.421
94 1HD2 ASN 13 HD21 ASN 13 -6.753 10.830 -0.926
95 2HD2 ASN 13 HD22 ASN 13 -5.984 12.082 -1.776
96 H ASP 14 HN ASP 14 -3.132 6.534 -3.798
97 HA ASP 14 HA ASP 14 -2.367 4.489 -1.943
98 1HB ASP 14 HB2 ASP 14 -2.191 4.716 -4.551
99 2HB ASP 14 HB1 ASP 14 -0.630 5.463 -4.210
100 H GLN 15 HN GLN 15 -1.189 4.834 -0.087
101 HA GLN 15 HA GLN 15 1.021 6.866 -0.182
102 1HB GLN 15 HB2 GLN 15 -1.166 6.299 1.808
103 2HB GLN 15 HB1 GLN 15 0.341 7.035 2.351
104 1HG GLN 15 HG2 GLN 15 -1.129 8.154 -0.028
105 2HG GLN 15 HG1 GLN 15 -1.606 8.602 1.610
106 1HE2 GLN 15 HE21 GLN 15 -0.110 9.908 2.875
107 2HE2 GLN 15 HE22 GLN 15 1.247 10.644 2.169
108 H CYS 16 HN CYS 16 1.217 3.931 -0.636
109 HA CYS 16 HA CYS 16 2.276 2.736 1.816
110 1HB CYS 16 HB2 CYS 16 2.372 1.949 -1.115
111 2HB CYS 16 HB1 CYS 16 2.892 0.909 0.212
112 H CYS 17 HN CYS 17 4.560 2.055 2.028
113 HA CYS 17 HA CYS 17 6.416 4.194 1.353
114 1HB CYS 17 HB2 CYS 17 6.183 2.315 3.319
115 2HB CYS 17 HB1 CYS 17 7.436 1.583 2.316
116 H LYS 18 HN LYS 18 7.747 4.314 -0.400
117 HA LYS 18 HA LYS 18 7.658 2.231 -2.469
118 1HB LYS 18 HB2 LYS 18 8.856 3.885 -3.771
119 2HB LYS 18 HB1 LYS 18 7.626 4.733 -2.837
120 1HG LYS 18 HG2 LYS 18 9.762 4.755 -1.100
121 2HG LYS 18 HG1 LYS 18 10.564 4.901 -2.663
122 1HD LYS 18 HD2 LYS 18 10.089 7.113 -2.468
123 2HD LYS 18 HD1 LYS 18 8.462 6.643 -2.960
124 1HE LYS 18 HE2 LYS 18 7.606 7.077 -0.895
125 2HE LYS 18 HE1 LYS 18 8.954 6.263 -0.079
126 1HZ LYS 18 HZ1 LYS 18 10.360 8.171 -0.570
127 2HZ LYS 18 HZ2 LYS 18 9.004 8.650 0.335
128 3HZ LYS 18 HZ3 LYS 18 9.065 8.958 -1.334
129 H SER 19 HN SER 19 9.815 3.114 0.144
130 HA SER 19 HA SER 19 12.295 2.097 -0.834
131 1HB SER 19 HB2 SER 19 11.112 3.044 1.608
132 2HB SER 19 HB1 SER 19 12.024 1.579 1.960
133 HG SER 19 HG SER 19 13.776 2.690 1.678
134 H SER 20 HN SER 20 9.579 0.462 0.801
135 HA SER 20 HA SER 20 10.976 -2.159 0.577
136 1HB SER 20 HB2 SER 20 9.816 -1.285 2.673
137 2HB SER 20 HB1 SER 20 8.293 -1.475 1.810
138 HG SER 20 HG SER 20 8.396 -3.514 2.264
139 H LYS 21 HN LYS 21 9.415 -0.435 -1.639
140 HA LYS 21 HA LYS 21 8.040 -0.901 -3.491
141 1HB LYS 21 HB2 LYS 21 9.819 -3.088 -2.904
142 2HB LYS 21 HB1 LYS 21 8.320 -3.740 -3.565
143 1HG LYS 21 HG2 LYS 21 9.596 -3.286 -5.490
144 2HG LYS 21 HG1 LYS 21 8.558 -1.867 -5.357
145 1HD LYS 21 HD2 LYS 21 10.640 -0.867 -5.660
146 2HD LYS 21 HD1 LYS 21 10.544 -0.920 -3.900
147 1HE LYS 21 HE2 LYS 21 11.921 -2.911 -3.809
148 2HE LYS 21 HE1 LYS 21 11.870 -3.083 -5.574
149 1HZ LYS 21 HZ1 LYS 21 13.898 -1.945 -4.799
150 2HZ LYS 21 HZ2 LYS 21 12.940 -0.710 -4.135
151 3HZ LYS 21 HZ3 LYS 21 12.958 -0.965 -5.815
152 H LEU 22 HN LEU 22 6.173 -0.350 -1.966
153 HA LEU 22 HA LEU 22 4.435 -2.763 -1.517
154 1HB LEU 22 HB2 LEU 22 4.615 -0.145 0.024
155 2HB LEU 22 HB1 LEU 22 3.524 -1.477 0.402
156 HG LEU 22 HG LEU 22 6.546 -1.728 0.333
157 1HD1 LEU 22 HD11 LEU 22 6.241 -1.900 2.856
158 2HD1 LEU 22 HD12 LEU 22 4.614 -1.263 2.615
159 3HD1 LEU 22 HD13 LEU 22 6.016 -0.289 2.173
160 1HD2 LEU 22 HD21 LEU 22 5.942 -3.923 0.196
161 2HD2 LEU 22 HD22 LEU 22 4.279 -3.591 0.677
162 3HD2 LEU 22 HD23 LEU 22 5.537 -3.744 1.903
163 H VAL 23 HN VAL 23 2.128 -2.387 -1.868
164 HA VAL 23 HA VAL 23 1.416 0.101 -3.365
165 HB VAL 23 HB VAL 23 0.262 -1.379 -5.044
166 1HG1 VAL 23 HG11 VAL 23 2.224 -1.809 -6.304
167 2HG1 VAL 23 HG12 VAL 23 3.194 -2.072 -4.855
168 3HG1 VAL 23 HG13 VAL 23 2.643 -0.447 -5.264
169 1HG2 VAL 23 HG21 VAL 23 1.768 -3.559 -3.558
170 2HG2 VAL 23 HG22 VAL 23 0.976 -3.771 -5.119
171 3HG2 VAL 23 HG23 VAL 23 0.016 -3.402 -3.687
172 H CYS 24 HN CYS 24 -0.534 0.897 -2.677
173 HA CYS 24 HA CYS 24 -2.015 -0.397 -0.559
174 1HB CYS 24 HB2 CYS 24 -1.902 2.022 -0.766
175 2HB CYS 24 HB1 CYS 24 -2.592 1.957 -2.387
176 H SER 25 HN SER 25 -3.248 -2.192 -0.940
177 HA SER 25 HA SER 25 -4.659 -2.476 -3.561
178 1HB SER 25 HB2 SER 25 -3.573 -4.270 -1.436
179 2HB SER 25 HB1 SER 25 -4.988 -4.842 -2.315
180 HG SER 25 HG SER 25 -3.034 -5.436 -3.346
181 H ARG 26 HN ARG 26 -6.727 -1.691 -3.502
182 HA ARG 26 HA ARG 26 -8.236 -1.053 -1.184
183 1HB ARG 26 HB2 ARG 26 -10.118 -0.907 -2.805
184 2HB ARG 26 HB1 ARG 26 -8.651 -0.158 -3.431
185 1HG ARG 26 HG2 ARG 26 -8.208 -2.527 -4.478
186 2HG ARG 26 HG1 ARG 26 -9.939 -2.756 -4.236
187 1HD ARG 26 HD2 ARG 26 -9.531 -1.854 -6.493
188 2HD ARG 26 HD1 ARG 26 -10.348 -0.624 -5.508
189 HE ARG 26 HE ARG 26 -7.363 -0.640 -5.681
190 1HH1 ARG 26 HH21 ARG 26 -9.622 1.310 -4.453
191 2HH1 ARG 26 HH22 ARG 26 -9.344 2.681 -5.473
192 1HH2 ARG 26 HH11 ARG 26 -7.343 0.943 -7.721
193 2HH2 ARG 26 HH12 ARG 26 -8.052 2.474 -7.326
194 H LYS 27 HN LYS 27 -8.036 -4.107 -2.991
195 HA LYS 27 HA LYS 27 -10.328 -5.383 -1.782
196 1HB LYS 27 HB2 LYS 27 -8.177 -5.962 -3.630
197 2HB LYS 27 HB1 LYS 27 -8.378 -7.308 -2.509
198 1HG LYS 27 HG2 LYS 27 -9.903 -7.809 -4.234
199 2HG LYS 27 HG1 LYS 27 -10.915 -7.064 -2.997
200 1HD LYS 27 HD2 LYS 27 -11.569 -5.542 -4.520
201 2HD LYS 27 HD1 LYS 27 -9.914 -4.933 -4.561
202 1HE LYS 27 HE2 LYS 27 -9.446 -5.971 -6.552
203 2HE LYS 27 HE1 LYS 27 -10.406 -7.406 -6.142
204 1HZ LYS 27 HZ1 LYS 27 -11.476 -6.073 -7.877
205 2HZ LYS 27 HZ2 LYS 27 -11.523 -4.735 -6.831
206 3HZ LYS 27 HZ3 LYS 27 -12.422 -6.132 -6.471
207 H THR 28 HN THR 28 -6.876 -5.226 -0.905
208 HA THR 28 HA THR 28 -7.271 -7.026 1.409
209 HB THR 28 HB THR 28 -4.826 -6.684 1.651
210 HG1 THR 28 HG1 THR 28 -4.040 -4.920 0.886
211 1HG2 THR 28 HG21 THR 28 -5.159 -8.432 0.183
212 2HG2 THR 28 HG22 THR 28 -4.309 -7.315 -0.885
213 3HG2 THR 28 HG23 THR 28 -6.066 -7.441 -0.958
214 H ARG 29 HN ARG 29 -7.424 -3.628 0.778
215 HA ARG 29 HA ARG 29 -7.921 -1.834 2.215
216 1HB ARG 29 HB2 ARG 29 -9.051 -3.963 3.372
217 2HB ARG 29 HB1 ARG 29 -7.834 -3.629 4.604
218 1HG ARG 29 HG2 ARG 29 -9.748 -2.367 5.252
219 2HG ARG 29 HG1 ARG 29 -8.639 -1.199 4.533
220 1HD ARG 29 HD2 ARG 29 -10.179 -2.235 2.387
221 2HD ARG 29 HD1 ARG 29 -11.321 -1.861 3.694
222 HE ARG 29 HE ARG 29 -9.350 0.096 2.572
223 1HH1 ARG 29 HH11 ARG 29 -12.269 0.380 1.952
224 2HH1 ARG 29 HH12 ARG 29 -12.788 1.520 3.148
225 1HH2 ARG 29 HH21 ARG 29 -9.976 1.098 5.149
226 2HH2 ARG 29 HH22 ARG 29 -11.485 1.929 4.964
227 H TRP 30 HN TRP 30 -5.032 -3.156 1.929
228 HA TRP 30 HA TRP 30 -3.752 -1.165 3.669
229 1HB TRP 30 HB2 TRP 30 -2.398 -2.873 4.886
230 2HB TRP 30 HB1 TRP 30 -4.115 -2.997 5.239
231 HD1 TRP 30 HD1 TRP 30 -1.846 -4.528 2.469
232 HE1 TRP 30 HE1 TRP 30 -2.384 -7.042 2.313
233 HE3 TRP 30 HE3 TRP 30 -5.390 -4.901 6.127
234 HZ2 TRP 30 HZ2 TRP 30 -4.088 -8.963 3.579
235 HZ3 TRP 30 HZ3 TRP 30 -6.450 -7.083 6.633
236 HH2 TRP 30 HH2 TRP 30 -5.804 -9.113 5.365
237 H CYS 31 HN CYS 31 -1.209 -1.541 3.485
238 HA CYS 31 HA CYS 31 -0.567 -1.440 0.648
239 1HB CYS 31 HB2 CYS 31 1.000 -1.347 3.236
240 2HB CYS 31 HB1 CYS 31 1.781 -1.204 1.662
241 H LYS 32 HN LYS 32 0.133 -3.096 -0.623
242 HA LYS 32 HA LYS 32 0.824 -5.711 0.672
243 1HB LYS 32 HB2 LYS 32 -1.196 -5.202 -0.996
244 2HB LYS 32 HB1 LYS 32 0.064 -5.413 -2.212
245 1HG LYS 32 HG2 LYS 32 0.123 -7.650 -1.899
246 2HG LYS 32 HG1 LYS 32 0.181 -7.473 -0.145
247 1HD LYS 32 HD2 LYS 32 -2.395 -6.734 -0.634
248 2HD LYS 32 HD1 LYS 32 -2.146 -7.916 -1.920
249 1HE LYS 32 HE2 LYS 32 -1.278 -8.573 0.892
250 2HE LYS 32 HE1 LYS 32 -2.974 -8.776 0.413
251 1HZ LYS 32 HZ1 LYS 32 -2.226 -10.055 -1.515
252 2HZ LYS 32 HZ2 LYS 32 -1.725 -10.785 -0.065
253 3HZ LYS 32 HZ3 LYS 32 -0.615 -9.907 -1.004
254 H TYR 33 HN TYR 33 2.503 -6.989 -0.496
255 HA TYR 33 HA TYR 33 4.858 -5.426 -1.077
256 1HB TYR 33 HB2 TYR 33 5.899 -7.562 -1.274
257 2HB TYR 33 HB1 TYR 33 4.597 -7.808 -0.113
258 HD1 TYR 33 HD1 TYR 33 2.495 -8.963 -0.805
259 HD2 TYR 33 HD2 TYR 33 5.854 -8.593 -3.457
260 HE1 TYR 33 HE1 TYR 33 1.538 -10.724 -2.263
261 HE2 TYR 33 HE2 TYR 33 4.895 -10.353 -4.917
262 HH TYR 33 HH TYR 33 1.941 -11.227 -5.044
263 H GLN 34 HN GLN 34 6.006 -5.292 -3.107
264 HA GLN 34 HA GLN 34 4.342 -4.753 -5.413
265 1HB GLN 34 HB2 GLN 34 6.621 -3.768 -4.632
266 2HB GLN 34 HB1 GLN 34 7.331 -5.176 -5.423
267 1HG GLN 34 HG2 GLN 34 7.318 -3.478 -7.091
268 2HG GLN 34 HG1 GLN 34 5.950 -4.520 -7.482
269 1HE2 GLN 34 HE21 GLN 34 6.476 -1.710 -5.247
270 2HE2 GLN 34 HE22 GLN 34 5.065 -0.896 -5.720
271 H ILE 35 HN ILE 35 3.816 -6.115 -7.100
272 HA ILE 35 HA ILE 35 4.592 -8.948 -6.919
273 HB ILE 35 HB ILE 35 2.281 -8.110 -7.398
274 1HG1 ILE 35 HG12 ILE 35 1.876 -9.663 -9.347
275 2HG1 ILE 35 HG11 ILE 35 3.624 -9.838 -9.494
276 1HG2 ILE 35 HG21 ILE 35 2.161 -7.585 -10.060
277 2HG2 ILE 35 HG22 ILE 35 3.709 -6.845 -9.665
278 3HG2 ILE 35 HG23 ILE 35 2.250 -6.331 -8.824
279 1HD1 ILE 35 HD11 ILE 35 3.789 -11.121 -7.605
280 2HD1 ILE 35 HD12 ILE 35 2.098 -11.474 -7.963
281 3HD1 ILE 35 HD13 ILE 35 2.508 -10.240 -6.772
Start of MODEL 13
1 1H GLU 1 HT1 GLU 1 4.860 11.785 6.051
2 2H GLU 1 HT2 GLU 1 3.394 11.153 5.469
3 3H GLU 1 HT3 GLU 1 4.760 11.206 4.460
4 HA GLU 1 HA GLU 1 5.906 9.632 5.976
5 1HB GLU 1 HB2 GLU 1 3.195 9.929 7.278
6 2HB GLU 1 HB1 GLU 1 4.202 8.512 7.580
7 1HG GLU 1 HG2 GLU 1 6.084 10.185 8.132
8 2HG GLU 1 HG1 GLU 1 4.808 11.401 8.208
9 H CYS 2 HN CYS 2 5.979 7.589 5.048
10 HA CYS 2 HA CYS 2 4.036 6.964 2.934
11 1HB CYS 2 HB2 CYS 2 5.647 5.278 2.349
12 2HB CYS 2 HB1 CYS 2 6.567 6.694 2.853
13 H LEU 3 HN LEU 3 3.332 4.534 2.829
14 HA LEU 3 HA LEU 3 2.226 3.767 5.509
15 1HB LEU 3 HB2 LEU 3 1.247 3.477 2.656
16 2HB LEU 3 HB1 LEU 3 0.490 2.626 4.003
17 HG LEU 3 HG LEU 3 0.929 5.605 4.129
18 1HD1 LEU 3 HD11 LEU 3 -1.591 4.300 3.079
19 2HD1 LEU 3 HD12 LEU 3 -0.332 4.924 2.012
20 3HD1 LEU 3 HD13 LEU 3 -1.187 6.017 3.100
21 1HD2 LEU 3 HD21 LEU 3 0.185 3.966 6.065
22 2HD2 LEU 3 HD22 LEU 3 -1.384 4.061 5.267
23 3HD2 LEU 3 HD23 LEU 3 -0.615 5.527 5.876
24 H GLU 4 HN GLU 4 3.167 1.962 6.346
25 HA GLU 4 HA GLU 4 4.902 0.226 4.784
26 1HB GLU 4 HB2 GLU 4 3.859 0.417 7.594
27 2HB GLU 4 HB1 GLU 4 4.669 -1.066 7.089
28 1HG GLU 4 HG2 GLU 4 5.900 1.650 6.611
29 2HG GLU 4 HG1 GLU 4 6.146 0.775 8.123
30 H ILE 5 HN ILE 5 4.374 -2.337 5.497
31 HA ILE 5 HA ILE 5 2.188 -3.104 3.782
32 HB ILE 5 HB ILE 5 4.448 -4.255 4.668
33 1HG1 ILE 5 HG12 ILE 5 2.805 -4.948 2.818
34 2HG1 ILE 5 HG11 ILE 5 3.740 -6.237 3.569
35 1HG2 ILE 5 HG21 ILE 5 2.276 -5.452 6.416
36 2HG2 ILE 5 HG22 ILE 5 3.671 -4.532 6.977
37 3HG2 ILE 5 HG23 ILE 5 3.902 -6.108 6.220
38 1HD1 ILE 5 HD11 ILE 5 1.322 -5.835 5.079
39 2HD1 ILE 5 HD12 ILE 5 1.848 -7.274 4.209
40 3HD1 ILE 5 HD13 ILE 5 0.915 -6.032 3.375
41 H PHE 6 HN PHE 6 0.195 -4.153 4.389
42 HA PHE 6 HA PHE 6 -1.784 -4.389 5.640
43 1HB PHE 6 HB2 PHE 6 0.430 -4.618 7.680
44 2HB PHE 6 HB1 PHE 6 -1.256 -4.713 8.179
45 HD1 PHE 6 HD1 PHE 6 1.379 -6.746 7.587
46 HD2 PHE 6 HD2 PHE 6 -2.633 -6.179 6.156
47 HE1 PHE 6 HE1 PHE 6 1.299 -9.118 6.870
48 HE2 PHE 6 HE2 PHE 6 -2.710 -8.552 5.439
49 HZ PHE 6 HZ PHE 6 -0.746 -10.021 5.796
50 H LYS 7 HN LYS 7 -0.931 -1.685 4.972
51 HA LYS 7 HA LYS 7 -1.927 -0.167 7.367
52 1HB LYS 7 HB2 LYS 7 0.004 0.471 5.127
53 2HB LYS 7 HB1 LYS 7 -0.705 1.744 6.120
54 1HG LYS 7 HG2 LYS 7 0.691 -0.642 7.341
55 2HG LYS 7 HG1 LYS 7 1.564 0.823 6.893
56 1HD LYS 7 HD2 LYS 7 0.537 2.106 8.525
57 2HD LYS 7 HD1 LYS 7 -0.916 1.107 8.542
58 1HE LYS 7 HE2 LYS 7 1.642 -0.181 9.420
59 2HE LYS 7 HE1 LYS 7 0.863 0.961 10.533
60 1HZ LYS 7 HZ1 LYS 7 -0.449 -1.354 9.202
61 2HZ LYS 7 HZ2 LYS 7 -1.235 -0.224 10.200
62 3HZ LYS 7 HZ3 LYS 7 -0.046 -1.251 10.846
63 H ALA 8 HN ALA 8 -3.935 0.696 7.096
64 HA ALA 8 HA ALA 8 -5.612 0.399 4.876
65 1HB ALA 8 HB1 ALA 8 -6.591 1.027 6.917
66 2HB ALA 8 HB2 ALA 8 -6.727 2.509 5.970
67 3HB ALA 8 HB3 ALA 8 -5.444 2.344 7.170
68 H CYS 9 HN CYS 9 -5.137 1.077 2.818
69 HA CYS 9 HA CYS 9 -4.204 3.907 2.447
70 1HB CYS 9 HB2 CYS 9 -2.775 3.113 0.672
71 2HB CYS 9 HB1 CYS 9 -2.502 2.054 2.055
72 H ASN 10 HN ASN 10 -4.989 4.918 0.461
73 HA ASN 10 HA ASN 10 -7.552 3.711 -0.523
74 1HB ASN 10 HB2 ASN 10 -6.531 6.483 0.028
75 2HB ASN 10 HB1 ASN 10 -7.807 6.270 -1.170
76 1HD2 ASN 10 HD21 ASN 10 -9.675 6.944 -0.046
77 2HD2 ASN 10 HD22 ASN 10 -10.168 6.305 1.447
78 HA PRO 11 HA PRO 11 -5.869 3.470 -4.587
79 1HB PRO 11 HB2 PRO 11 -8.103 3.948 -6.102
80 2HB PRO 11 HB1 PRO 11 -7.830 2.424 -5.234
81 1HG PRO 11 HG2 PRO 11 -9.521 4.756 -4.474
82 2HG PRO 11 HG1 PRO 11 -9.848 3.024 -4.304
83 1HD PRO 11 HD2 PRO 11 -9.037 4.583 -2.235
84 2HD PRO 11 HD1 PRO 11 -8.646 2.852 -2.355
85 H SER 12 HN SER 12 -7.951 6.287 -3.899
86 HA SER 12 HA SER 12 -6.897 7.928 -6.056
87 1HB SER 12 HB2 SER 12 -8.760 9.058 -5.441
88 2HB SER 12 HB1 SER 12 -8.958 7.969 -4.075
89 HG SER 12 HG SER 12 -8.012 10.545 -4.178
90 H ASN 13 HN ASN 13 -6.145 7.522 -2.597
91 HA ASN 13 HA ASN 13 -3.877 9.458 -2.900
92 1HB ASN 13 HB2 ASN 13 -5.898 9.519 -1.143
93 2HB ASN 13 HB1 ASN 13 -4.835 8.422 -0.260
94 1HD2 ASN 13 HD21 ASN 13 -2.460 9.265 -0.057
95 2HD2 ASN 13 HD22 ASN 13 -2.264 10.932 0.191
96 H ASP 14 HN ASP 14 -2.660 7.627 -3.973
97 HA ASP 14 HA ASP 14 -1.977 5.248 -2.422
98 1HB ASP 14 HB2 ASP 14 -2.045 5.377 -4.910
99 2HB ASP 14 HB1 ASP 14 -0.702 6.520 -4.873
100 H GLN 15 HN GLN 15 -0.790 5.580 -0.557
101 HA GLN 15 HA GLN 15 1.650 7.315 -0.767
102 1HB GLN 15 HB2 GLN 15 -0.624 7.218 1.147
103 2HB GLN 15 HB1 GLN 15 0.973 7.449 1.859
104 1HG GLN 15 HG2 GLN 15 0.213 9.086 -0.535
105 2HG GLN 15 HG1 GLN 15 -0.437 9.534 1.042
106 1HE2 GLN 15 HE21 GLN 15 2.131 10.186 -0.974
107 2HE2 GLN 15 HE22 GLN 15 3.288 10.635 0.184
108 H CYS 16 HN CYS 16 1.638 4.465 -1.246
109 HA CYS 16 HA CYS 16 2.382 3.005 1.155
110 1HB CYS 16 HB2 CYS 16 1.671 2.433 -1.449
111 2HB CYS 16 HB1 CYS 16 3.396 2.068 -1.450
112 H CYS 17 HN CYS 17 4.585 2.198 1.606
113 HA CYS 17 HA CYS 17 6.620 4.279 1.259
114 1HB CYS 17 HB2 CYS 17 5.991 2.385 3.152
115 2HB CYS 17 HB1 CYS 17 7.390 1.654 2.364
116 H LYS 18 HN LYS 18 8.203 4.307 -0.269
117 HA LYS 18 HA LYS 18 8.348 2.130 -2.263
118 1HB LYS 18 HB2 LYS 18 8.298 4.588 -2.803
119 2HB LYS 18 HB1 LYS 18 9.877 4.741 -2.033
120 1HG LYS 18 HG2 LYS 18 10.821 3.110 -3.621
121 2HG LYS 18 HG1 LYS 18 9.244 2.945 -4.394
122 1HD LYS 18 HD2 LYS 18 10.083 5.739 -4.154
123 2HD LYS 18 HD1 LYS 18 11.213 4.773 -5.104
124 1HE LYS 18 HE2 LYS 18 9.735 5.251 -6.806
125 2HE LYS 18 HE1 LYS 18 8.837 3.883 -6.119
126 1HZ LYS 18 HZ1 LYS 18 7.689 5.433 -4.646
127 2HZ LYS 18 HZ2 LYS 18 7.422 5.838 -6.274
128 3HZ LYS 18 HZ3 LYS 18 8.521 6.737 -5.342
129 H SER 19 HN SER 19 10.251 3.419 0.419
130 HA SER 19 HA SER 19 12.784 2.241 -0.200
131 1HB SER 19 HB2 SER 19 13.172 2.600 2.226
132 2HB SER 19 HB1 SER 19 12.384 3.989 1.489
133 HG SER 19 HG SER 19 10.796 3.676 2.816
134 H SER 20 HN SER 20 9.888 0.920 1.382
135 HA SER 20 HA SER 20 11.280 -1.673 1.869
136 1HB SER 20 HB2 SER 20 9.829 -0.358 3.558
137 2HB SER 20 HB1 SER 20 8.453 -0.889 2.598
138 HG SER 20 HG SER 20 8.942 -2.329 4.320
139 H LYS 21 HN LYS 21 9.953 -0.383 -0.781
140 HA LYS 21 HA LYS 21 8.859 -1.228 -2.685
141 1HB LYS 21 HB2 LYS 21 10.683 -3.042 -1.739
142 2HB LYS 21 HB1 LYS 21 9.220 -4.025 -1.777
143 1HG LYS 21 HG2 LYS 21 9.904 -4.333 -3.954
144 2HG LYS 21 HG1 LYS 21 8.963 -2.858 -4.174
145 1HD LYS 21 HD2 LYS 21 10.854 -1.985 -5.067
146 2HD LYS 21 HD1 LYS 21 11.432 -1.883 -3.404
147 1HE LYS 21 HE2 LYS 21 13.032 -3.428 -3.830
148 2HE LYS 21 HE1 LYS 21 11.812 -4.577 -4.409
149 1HZ LYS 21 HZ1 LYS 21 11.770 -3.424 -6.530
150 2HZ LYS 21 HZ2 LYS 21 13.348 -3.949 -6.184
151 3HZ LYS 21 HZ3 LYS 21 12.931 -2.314 -5.983
152 H LEU 22 HN LEU 22 6.823 -0.391 -1.539
153 HA LEU 22 HA LEU 22 4.971 -2.678 -0.936
154 1HB LEU 22 HB2 LEU 22 5.074 0.115 0.258
155 2HB LEU 22 HB1 LEU 22 3.886 -1.120 0.667
156 HG LEU 22 HG LEU 22 6.875 -1.497 1.003
157 1HD1 LEU 22 HD11 LEU 22 6.749 -0.700 3.154
158 2HD1 LEU 22 HD12 LEU 22 5.062 -1.174 3.343
159 3HD1 LEU 22 HD13 LEU 22 5.471 0.289 2.449
160 1HD2 LEU 22 HD21 LEU 22 5.277 -3.501 0.758
161 2HD2 LEU 22 HD22 LEU 22 4.600 -3.005 2.308
162 3HD2 LEU 22 HD23 LEU 22 6.296 -3.475 2.196
163 H VAL 23 HN VAL 23 2.745 -2.335 -1.612
164 HA VAL 23 HA VAL 23 2.244 -0.025 -3.438
165 HB VAL 23 HB VAL 23 1.239 -1.780 -5.041
166 1HG1 VAL 23 HG11 VAL 23 4.227 -2.030 -4.670
167 2HG1 VAL 23 HG12 VAL 23 3.479 -0.547 -5.261
168 3HG1 VAL 23 HG13 VAL 23 3.310 -2.045 -6.176
169 1HG2 VAL 23 HG21 VAL 23 2.091 -4.053 -4.862
170 2HG2 VAL 23 HG22 VAL 23 1.282 -3.641 -3.351
171 3HG2 VAL 23 HG23 VAL 23 3.043 -3.626 -3.441
172 H CYS 24 HN CYS 24 0.241 0.813 -3.017
173 HA CYS 24 HA CYS 24 -1.514 -0.320 -1.028
174 1HB CYS 24 HB2 CYS 24 -1.337 2.074 -1.449
175 2HB CYS 24 HB1 CYS 24 -1.856 1.852 -3.119
176 H SER 25 HN SER 25 -2.844 -2.047 -1.357
177 HA SER 25 HA SER 25 -3.888 -2.562 -4.123
178 1HB SER 25 HB2 SER 25 -3.111 -4.280 -1.771
179 2HB SER 25 HB1 SER 25 -4.181 -4.913 -3.018
180 HG SER 25 HG SER 25 -1.619 -4.904 -3.110
181 H ARG 26 HN ARG 26 -6.067 -2.327 -4.393
182 HA ARG 26 HA ARG 26 -7.822 -1.543 -2.226
183 1HB ARG 26 HB2 ARG 26 -7.888 -0.972 -4.736
184 2HB ARG 26 HB1 ARG 26 -8.607 -2.566 -4.966
185 1HG ARG 26 HG2 ARG 26 -10.172 -1.673 -2.957
186 2HG ARG 26 HG1 ARG 26 -9.760 -0.129 -3.704
187 1HD ARG 26 HD2 ARG 26 -10.617 -2.385 -5.495
188 2HD ARG 26 HD1 ARG 26 -11.855 -1.501 -4.581
189 HE ARG 26 HE ARG 26 -10.410 0.564 -5.583
190 1HH1 ARG 26 HH21 ARG 26 -9.326 -1.354 -7.668
191 2HH1 ARG 26 HH22 ARG 26 -10.446 -1.121 -8.968
192 1HH2 ARG 26 HH11 ARG 26 -12.831 0.449 -6.988
193 2HH2 ARG 26 HH12 ARG 26 -12.434 -0.098 -8.583
194 H LYS 27 HN LYS 27 -7.265 -4.593 -3.984
195 HA LYS 27 HA LYS 27 -9.467 -6.116 -3.054
196 1HB LYS 27 HB2 LYS 27 -6.997 -6.479 -4.433
197 2HB LYS 27 HB1 LYS 27 -7.069 -7.704 -3.167
198 1HG LYS 27 HG2 LYS 27 -8.552 -8.885 -4.373
199 2HG LYS 27 HG1 LYS 27 -9.660 -7.514 -4.371
200 1HD LYS 27 HD2 LYS 27 -7.444 -7.098 -6.219
201 2HD LYS 27 HD1 LYS 27 -8.342 -8.568 -6.599
202 1HE LYS 27 HE2 LYS 27 -10.221 -7.410 -7.217
203 2HE LYS 27 HE1 LYS 27 -10.006 -6.191 -5.945
204 1HZ LYS 27 HZ1 LYS 27 -8.202 -5.218 -7.170
205 2HZ LYS 27 HZ2 LYS 27 -9.551 -5.315 -8.197
206 3HZ LYS 27 HZ3 LYS 27 -8.279 -6.430 -8.355
207 H THR 28 HN THR 28 -6.240 -5.666 -1.551
208 HA THR 28 HA THR 28 -7.026 -7.203 0.841
209 HB THR 28 HB THR 28 -4.683 -6.389 1.534
210 HG1 THR 28 HG1 THR 28 -4.151 -4.736 0.328
211 1HG2 THR 28 HG21 THR 28 -3.614 -8.035 0.150
212 2HG2 THR 28 HG22 THR 28 -4.838 -7.854 -1.107
213 3HG2 THR 28 HG23 THR 28 -5.262 -8.596 0.437
214 H ARG 29 HN ARG 29 -7.322 -3.954 -0.218
215 HA ARG 29 HA ARG 29 -8.216 -2.065 0.844
216 1HB ARG 29 HB2 ARG 29 -9.018 -4.317 2.387
217 2HB ARG 29 HB1 ARG 29 -8.536 -3.057 3.523
218 1HG ARG 29 HG2 ARG 29 -10.370 -2.511 1.178
219 2HG ARG 29 HG1 ARG 29 -10.977 -2.999 2.761
220 1HD ARG 29 HD2 ARG 29 -10.953 -0.768 3.255
221 2HD ARG 29 HD1 ARG 29 -9.193 -0.953 3.381
222 HE ARG 29 HE ARG 29 -9.015 -0.262 1.023
223 1HH1 ARG 29 HH11 ARG 29 -12.094 -1.016 0.743
224 2HH1 ARG 29 HH12 ARG 29 -12.719 0.554 0.361
225 1HH2 ARG 29 HH21 ARG 29 -9.816 2.226 1.287
226 2HH2 ARG 29 HH22 ARG 29 -11.426 2.392 0.669
227 H TRP 30 HN TRP 30 -5.232 -3.192 1.316
228 HA TRP 30 HA TRP 30 -4.437 -0.818 2.865
229 1HB TRP 30 HB2 TRP 30 -3.175 -2.210 4.528
230 2HB TRP 30 HB1 TRP 30 -4.919 -2.401 4.643
231 HD1 TRP 30 HD1 TRP 30 -2.160 -4.161 2.538
232 HE1 TRP 30 HE1 TRP 30 -2.549 -6.704 2.706
233 HE3 TRP 30 HE3 TRP 30 -6.253 -4.223 5.586
234 HZ2 TRP 30 HZ2 TRP 30 -4.361 -8.524 3.970
235 HZ3 TRP 30 HZ3 TRP 30 -7.289 -6.370 6.257
236 HH2 TRP 30 HH2 TRP 30 -6.350 -8.520 5.454
237 H CYS 31 HN CYS 31 -1.892 -0.918 3.128
238 HA CYS 31 HA CYS 31 -0.767 -1.182 0.469
239 1HB CYS 31 HB2 CYS 31 -0.064 -0.165 3.120
240 2HB CYS 31 HB1 CYS 31 1.313 -0.912 2.311
241 H LYS 32 HN LYS 32 0.384 -2.890 -0.387
242 HA LYS 32 HA LYS 32 1.005 -5.201 1.431
243 1HB LYS 32 HB2 LYS 32 -0.424 -4.907 -1.133
244 2HB LYS 32 HB1 LYS 32 0.751 -6.222 -1.118
245 1HG LYS 32 HG2 LYS 32 -0.496 -6.482 1.342
246 2HG LYS 32 HG1 LYS 32 -1.818 -6.003 0.277
247 1HD LYS 32 HD2 LYS 32 0.117 -8.269 -0.292
248 2HD LYS 32 HD1 LYS 32 -1.508 -8.479 0.360
249 1HE LYS 32 HE2 LYS 32 -2.467 -7.428 -1.667
250 2HE LYS 32 HE1 LYS 32 -0.833 -7.223 -2.328
251 1HZ LYS 32 HZ1 LYS 32 -2.057 -9.809 -1.511
252 2HZ LYS 32 HZ2 LYS 32 -0.484 -9.609 -2.124
253 3HZ LYS 32 HZ3 LYS 32 -1.830 -9.290 -3.110
254 H TYR 33 HN TYR 33 2.765 -6.641 0.344
255 HA TYR 33 HA TYR 33 5.112 -4.995 -0.161
256 1HB TYR 33 HB2 TYR 33 6.263 -7.115 -0.117
257 2HB TYR 33 HB1 TYR 33 4.985 -7.201 1.091
258 HD1 TYR 33 HD1 TYR 33 6.158 -8.419 -2.169
259 HD2 TYR 33 HD2 TYR 33 2.961 -8.563 0.698
260 HE1 TYR 33 HE1 TYR 33 5.228 -10.417 -3.304
261 HE2 TYR 33 HE2 TYR 33 2.030 -10.558 -0.441
262 HH TYR 33 HH TYR 33 3.413 -12.508 -2.148
263 H GLN 34 HN GLN 34 6.485 -5.265 -2.127
264 HA GLN 34 HA GLN 34 5.062 -4.792 -4.557
265 1HB GLN 34 HB2 GLN 34 7.529 -4.315 -3.724
266 2HB GLN 34 HB1 GLN 34 7.870 -5.861 -4.500
267 1HG GLN 34 HG2 GLN 34 6.193 -4.146 -6.166
268 2HG GLN 34 HG1 GLN 34 7.737 -3.388 -5.778
269 1HE2 GLN 34 HE21 GLN 34 9.720 -4.507 -6.482
270 2HE2 GLN 34 HE22 GLN 34 9.659 -5.713 -7.675
271 H ILE 35 HN ILE 35 3.757 -6.361 -5.429
272 HA ILE 35 HA ILE 35 4.592 -9.210 -5.348
273 HB ILE 35 HB ILE 35 2.273 -9.581 -6.137
274 1HG1 ILE 35 HG12 ILE 35 1.863 -6.587 -5.981
275 2HG1 ILE 35 HG11 ILE 35 2.287 -7.376 -7.499
276 1HG2 ILE 35 HG21 ILE 35 3.045 -8.765 -3.667
277 2HG2 ILE 35 HG22 ILE 35 1.387 -9.217 -4.061
278 3HG2 ILE 35 HG23 ILE 35 1.858 -7.518 -4.044
279 1HD1 ILE 35 HD11 ILE 35 -0.285 -7.090 -6.480
280 2HD1 ILE 35 HD12 ILE 35 0.127 -8.763 -6.102
281 3HD1 ILE 35 HD13 ILE 35 0.198 -8.193 -7.769
Start of MODEL 14
1 1H GLU 1 HT1 GLU 1 4.606 13.162 4.461
2 2H GLU 1 HT2 GLU 1 3.734 12.352 3.249
3 3H GLU 1 HT3 GLU 1 5.310 11.856 3.641
4 HA GLU 1 HA GLU 1 4.624 11.067 5.782
5 1HB GLU 1 HB2 GLU 1 3.050 13.033 6.012
6 2HB GLU 1 HB1 GLU 1 1.904 12.161 4.993
7 1HG GLU 1 HG2 GLU 1 1.149 11.403 7.024
8 2HG GLU 1 HG1 GLU 1 2.442 10.225 6.796
9 H CYS 2 HN CYS 2 5.209 9.246 4.304
10 HA CYS 2 HA CYS 2 3.064 8.009 2.710
11 1HB CYS 2 HB2 CYS 2 4.814 6.490 2.052
12 2HB CYS 2 HB1 CYS 2 5.529 8.098 2.126
13 H LEU 3 HN LEU 3 2.734 5.549 3.077
14 HA LEU 3 HA LEU 3 2.357 5.048 6.013
15 1HB LEU 3 HB2 LEU 3 0.815 3.999 3.613
16 2HB LEU 3 HB1 LEU 3 0.392 3.754 5.307
17 HG LEU 3 HG LEU 3 0.622 6.490 4.026
18 1HD1 LEU 3 HD11 LEU 3 -1.783 6.505 3.839
19 2HD1 LEU 3 HD12 LEU 3 -1.905 4.937 4.638
20 3HD1 LEU 3 HD13 LEU 3 -1.197 5.054 3.027
21 1HD2 LEU 3 HD21 LEU 3 0.890 6.528 6.434
22 2HD2 LEU 3 HD22 LEU 3 -0.506 5.471 6.649
23 3HD2 LEU 3 HD23 LEU 3 -0.729 7.117 6.055
24 H GLU 4 HN GLU 4 3.362 3.256 6.834
25 HA GLU 4 HA GLU 4 5.216 1.709 5.255
26 1HB GLU 4 HB2 GLU 4 4.038 1.500 8.037
27 2HB GLU 4 HB1 GLU 4 5.249 0.360 7.449
28 1HG GLU 4 HG2 GLU 4 6.833 1.841 8.061
29 2HG GLU 4 HG1 GLU 4 6.250 2.900 6.776
30 H ILE 5 HN ILE 5 5.014 -0.875 5.644
31 HA ILE 5 HA ILE 5 2.849 -1.776 3.981
32 HB ILE 5 HB ILE 5 5.286 -2.673 4.664
33 1HG1 ILE 5 HG12 ILE 5 3.479 -3.441 2.892
34 2HG1 ILE 5 HG11 ILE 5 4.842 -4.485 3.284
35 1HG2 ILE 5 HG21 ILE 5 3.384 -4.257 6.412
36 2HG2 ILE 5 HG22 ILE 5 4.737 -3.265 6.952
37 3HG2 ILE 5 HG23 ILE 5 5.037 -4.743 6.040
38 1HD1 ILE 5 HD11 ILE 5 2.326 -4.741 4.895
39 2HD1 ILE 5 HD12 ILE 5 3.533 -5.965 4.507
40 3HD1 ILE 5 HD13 ILE 5 2.376 -5.445 3.281
41 H PHE 6 HN PHE 6 1.071 -3.191 4.595
42 HA PHE 6 HA PHE 6 -0.781 -3.800 5.911
43 1HB PHE 6 HB2 PHE 6 1.481 -3.735 7.929
44 2HB PHE 6 HB1 PHE 6 -0.140 -4.279 8.349
45 HD1 PHE 6 HD1 PHE 6 2.833 -5.656 7.875
46 HD2 PHE 6 HD2 PHE 6 -1.003 -5.722 5.944
47 HE1 PHE 6 HE1 PHE 6 3.341 -7.896 6.940
48 HE2 PHE 6 HE2 PHE 6 -0.494 -7.960 5.008
49 HZ PHE 6 HZ PHE 6 1.678 -9.048 5.506
50 H LYS 7 HN LYS 7 -0.445 -0.986 5.355
51 HA LYS 7 HA LYS 7 -1.514 0.246 7.880
52 1HB LYS 7 HB2 LYS 7 0.219 1.242 5.623
53 2HB LYS 7 HB1 LYS 7 -0.708 2.384 6.594
54 1HG LYS 7 HG2 LYS 7 0.988 0.308 7.955
55 2HG LYS 7 HG1 LYS 7 1.734 1.776 7.326
56 1HD LYS 7 HD2 LYS 7 1.139 2.732 9.289
57 2HD LYS 7 HD1 LYS 7 -0.502 2.744 8.642
58 1HE LYS 7 HE2 LYS 7 -1.047 0.673 9.736
59 2HE LYS 7 HE1 LYS 7 0.651 0.381 10.160
60 1HZ LYS 7 HZ1 LYS 7 -0.477 1.341 12.044
61 2HZ LYS 7 HZ2 LYS 7 -1.045 2.635 11.101
62 3HZ LYS 7 HZ3 LYS 7 0.616 2.479 11.423
63 H ALA 8 HN ALA 8 -3.598 0.999 7.759
64 HA ALA 8 HA ALA 8 -5.383 0.470 5.652
65 1HB ALA 8 HB1 ALA 8 -6.789 2.206 6.818
66 2HB ALA 8 HB2 ALA 8 -5.372 2.635 7.777
67 3HB ALA 8 HB3 ALA 8 -6.075 1.023 7.914
68 H CYS 9 HN CYS 9 -5.545 1.326 3.634
69 HA CYS 9 HA CYS 9 -4.840 4.197 3.192
70 1HB CYS 9 HB2 CYS 9 -2.864 2.843 2.682
71 2HB CYS 9 HB1 CYS 9 -3.828 1.780 1.657
72 H ASN 10 HN ASN 10 -5.847 5.067 1.230
73 HA ASN 10 HA ASN 10 -8.425 3.764 0.598
74 1HB ASN 10 HB2 ASN 10 -7.106 6.434 0.185
75 2HB ASN 10 HB1 ASN 10 -8.526 6.019 -0.777
76 1HD2 ASN 10 HD21 ASN 10 -10.423 6.743 0.192
77 2HD2 ASN 10 HD22 ASN 10 -10.691 6.841 1.865
78 HA PRO 11 HA PRO 11 -7.196 2.139 -3.304
79 1HB PRO 11 HB2 PRO 11 -9.491 2.463 -4.764
80 2HB PRO 11 HB1 PRO 11 -9.319 1.240 -3.490
81 1HG PRO 11 HG2 PRO 11 -10.650 3.901 -3.392
82 2HG PRO 11 HG1 PRO 11 -11.149 2.363 -2.669
83 1HD PRO 11 HD2 PRO 11 -9.962 4.362 -1.255
84 2HD PRO 11 HD1 PRO 11 -9.809 2.642 -0.830
85 H SER 12 HN SER 12 -8.907 5.278 -3.459
86 HA SER 12 HA SER 12 -7.706 5.997 -6.037
87 1HB SER 12 HB2 SER 12 -8.983 8.069 -5.661
88 2HB SER 12 HB1 SER 12 -9.985 6.669 -5.294
89 HG SER 12 HG SER 12 -10.022 7.244 -3.259
90 H ASN 13 HN ASN 13 -7.073 6.650 -2.608
91 HA ASN 13 HA ASN 13 -4.887 8.543 -3.352
92 1HB ASN 13 HB2 ASN 13 -6.730 9.083 -1.680
93 2HB ASN 13 HB1 ASN 13 -6.023 7.860 -0.626
94 1HD2 ASN 13 HD21 ASN 13 -5.063 9.153 1.003
95 2HD2 ASN 13 HD22 ASN 13 -3.915 10.365 0.693
96 H ASP 14 HN ASP 14 -3.248 7.037 -3.985
97 HA ASP 14 HA ASP 14 -2.479 4.831 -2.178
98 1HB ASP 14 HB2 ASP 14 -2.445 4.829 -4.735
99 2HB ASP 14 HB1 ASP 14 -1.061 5.918 -4.632
100 H GLN 15 HN GLN 15 -1.588 5.696 -0.271
101 HA GLN 15 HA GLN 15 0.631 7.692 -0.585
102 1HB GLN 15 HB2 GLN 15 -1.307 7.108 1.674
103 2HB GLN 15 HB1 GLN 15 0.002 8.286 1.775
104 1HG GLN 15 HG2 GLN 15 -2.071 8.389 -0.422
105 2HG GLN 15 HG1 GLN 15 -2.313 9.191 1.129
106 1HE2 GLN 15 HE21 GLN 15 -0.748 9.462 -1.952
107 2HE2 GLN 15 HE22 GLN 15 0.127 10.878 -1.620
108 H CYS 16 HN CYS 16 1.022 4.767 -0.807
109 HA CYS 16 HA CYS 16 2.098 3.751 1.701
110 1HB CYS 16 HB2 CYS 16 2.390 2.961 -1.213
111 2HB CYS 16 HB1 CYS 16 3.026 2.003 0.122
112 H CYS 17 HN CYS 17 4.451 3.248 1.989
113 HA CYS 17 HA CYS 17 6.131 5.556 1.345
114 1HB CYS 17 HB2 CYS 17 6.645 2.896 2.716
115 2HB CYS 17 HB1 CYS 17 7.797 4.230 2.673
116 H LYS 18 HN LYS 18 7.319 5.739 -0.492
117 HA LYS 18 HA LYS 18 7.529 3.603 -2.443
118 1HB LYS 18 HB2 LYS 18 7.591 6.302 -2.498
119 2HB LYS 18 HB1 LYS 18 9.325 5.981 -2.526
120 1HG LYS 18 HG2 LYS 18 9.112 5.631 -4.745
121 2HG LYS 18 HG1 LYS 18 8.263 4.140 -4.340
122 1HD LYS 18 HD2 LYS 18 6.123 5.257 -4.401
123 2HD LYS 18 HD1 LYS 18 6.896 6.834 -4.564
124 1HE LYS 18 HE2 LYS 18 6.508 6.476 -6.805
125 2HE LYS 18 HE1 LYS 18 7.998 5.518 -6.693
126 1HZ LYS 18 HZ1 LYS 18 6.714 3.565 -6.197
127 2HZ LYS 18 HZ2 LYS 18 6.115 4.249 -7.632
128 3HZ LYS 18 HZ3 LYS 18 5.269 4.455 -6.174
129 H SER 19 HN SER 19 9.458 4.501 0.306
130 HA SER 19 HA SER 19 12.067 3.709 -0.502
131 1HB SER 19 HB2 SER 19 10.588 3.561 2.142
132 2HB SER 19 HB1 SER 19 12.323 3.303 1.986
133 HG SER 19 HG SER 19 10.878 5.616 1.961
134 H SER 20 HN SER 20 9.386 1.771 0.862
135 HA SER 20 HA SER 20 10.960 -0.725 0.381
136 1HB SER 20 HB2 SER 20 8.586 0.079 2.057
137 2HB SER 20 HB1 SER 20 8.903 -1.621 1.728
138 HG SER 20 HG SER 20 9.929 -0.378 3.645
139 H LYS 21 HN LYS 21 9.369 1.022 -1.674
140 HA LYS 21 HA LYS 21 7.909 0.676 -3.495
141 1HB LYS 21 HB2 LYS 21 9.447 -1.837 -2.969
142 2HB LYS 21 HB1 LYS 21 8.159 -1.910 -4.172
143 1HG LYS 21 HG2 LYS 21 9.852 -1.194 -5.553
144 2HG LYS 21 HG1 LYS 21 9.329 0.382 -4.958
145 1HD LYS 21 HD2 LYS 21 11.456 0.677 -4.260
146 2HD LYS 21 HD1 LYS 21 11.091 -0.495 -2.993
147 1HE LYS 21 HE2 LYS 21 11.671 -2.267 -4.873
148 2HE LYS 21 HE1 LYS 21 12.564 -0.906 -5.580
149 1HZ LYS 21 HZ1 LYS 21 13.913 -2.170 -3.974
150 2HZ LYS 21 HZ2 LYS 21 12.795 -1.799 -2.751
151 3HZ LYS 21 HZ3 LYS 21 13.689 -0.559 -3.494
152 H LEU 22 HN LEU 22 6.290 0.949 -1.439
153 HA LEU 22 HA LEU 22 4.576 -1.488 -1.197
154 1HB LEU 22 HB2 LEU 22 4.720 1.126 0.345
155 2HB LEU 22 HB1 LEU 22 3.636 -0.210 0.734
156 HG LEU 22 HG LEU 22 6.653 -0.474 0.603
157 1HD1 LEU 22 HD11 LEU 22 6.388 -0.636 3.145
158 2HD1 LEU 22 HD12 LEU 22 4.783 0.061 2.918
159 3HD1 LEU 22 HD13 LEU 22 6.216 0.974 2.447
160 1HD2 LEU 22 HD21 LEU 22 4.357 -2.292 1.159
161 2HD2 LEU 22 HD22 LEU 22 5.792 -2.493 2.163
162 3HD2 LEU 22 HD23 LEU 22 5.914 -2.644 0.411
163 H VAL 23 HN VAL 23 2.318 -1.335 -1.639
164 HA VAL 23 HA VAL 23 1.339 1.163 -2.952
165 HB VAL 23 HB VAL 23 0.372 -0.396 -4.748
166 1HG1 VAL 23 HG11 VAL 23 2.463 1.086 -4.927
167 2HG1 VAL 23 HG12 VAL 23 2.338 -0.247 -6.075
168 3HG1 VAL 23 HG13 VAL 23 3.393 -0.391 -4.669
169 1HG2 VAL 23 HG21 VAL 23 0.856 -2.468 -3.294
170 2HG2 VAL 23 HG22 VAL 23 2.536 -2.288 -3.799
171 3HG2 VAL 23 HG23 VAL 23 1.280 -2.585 -5.001
172 H CYS 24 HN CYS 24 -0.884 1.505 -2.625
173 HA CYS 24 HA CYS 24 -2.179 0.038 -0.479
174 1HB CYS 24 HB2 CYS 24 -3.212 2.082 -2.479
175 2HB CYS 24 HB1 CYS 24 -4.037 1.609 -0.993
176 H SER 25 HN SER 25 -2.617 -2.111 -1.035
177 HA SER 25 HA SER 25 -3.834 -2.772 -3.645
178 1HB SER 25 HB2 SER 25 -2.656 -4.177 -1.290
179 2HB SER 25 HB1 SER 25 -3.814 -5.080 -2.262
180 HG SER 25 HG SER 25 -1.949 -5.413 -3.300
181 H ARG 26 HN ARG 26 -6.018 -2.937 -3.950
182 HA ARG 26 HA ARG 26 -7.908 -2.346 -1.836
183 1HB ARG 26 HB2 ARG 26 -9.555 -2.738 -3.627
184 2HB ARG 26 HB1 ARG 26 -8.205 -1.784 -4.236
185 1HG ARG 26 HG2 ARG 26 -7.516 -3.430 -5.655
186 2HG ARG 26 HG1 ARG 26 -7.863 -4.712 -4.496
187 1HD ARG 26 HD2 ARG 26 -9.528 -5.138 -6.068
188 2HD ARG 26 HD1 ARG 26 -10.394 -3.992 -5.026
189 HE ARG 26 HE ARG 26 -9.480 -3.449 -7.729
190 1HH1 ARG 26 HH21 ARG 26 -11.685 -2.207 -5.823
191 2HH1 ARG 26 HH22 ARG 26 -11.171 -0.554 -5.853
192 1HH2 ARG 26 HH11 ARG 26 -8.067 -1.265 -7.242
193 2HH2 ARG 26 HH12 ARG 26 -9.119 -0.019 -6.657
194 H LYS 27 HN LYS 27 -6.522 -5.317 -3.066
195 HA LYS 27 HA LYS 27 -8.593 -7.125 -2.130
196 1HB LYS 27 HB2 LYS 27 -5.644 -7.467 -2.779
197 2HB LYS 27 HB1 LYS 27 -6.769 -8.803 -2.530
198 1HG LYS 27 HG2 LYS 27 -8.158 -7.373 -4.366
199 2HG LYS 27 HG1 LYS 27 -6.512 -6.950 -4.838
200 1HD LYS 27 HD2 LYS 27 -6.312 -9.666 -4.413
201 2HD LYS 27 HD1 LYS 27 -7.930 -9.513 -5.096
202 1HE LYS 27 HE2 LYS 27 -6.718 -9.623 -7.071
203 2HE LYS 27 HE1 LYS 27 -6.603 -7.875 -6.790
204 1HZ LYS 27 HZ1 LYS 27 -4.647 -9.957 -5.974
205 2HZ LYS 27 HZ2 LYS 27 -4.579 -8.344 -5.443
206 3HZ LYS 27 HZ3 LYS 27 -4.401 -8.707 -7.092
207 H THR 28 HN THR 28 -5.562 -5.853 -0.764
208 HA THR 28 HA THR 28 -5.975 -7.377 1.753
209 HB THR 28 HB THR 28 -3.710 -6.400 2.249
210 HG1 THR 28 HG1 THR 28 -3.295 -4.677 1.137
211 1HG2 THR 28 HG21 THR 28 -2.942 -8.251 1.237
212 2HG2 THR 28 HG22 THR 28 -3.073 -7.467 -0.337
213 3HG2 THR 28 HG23 THR 28 -4.446 -8.354 0.323
214 H ARG 29 HN ARG 29 -6.599 -4.236 0.444
215 HA ARG 29 HA ARG 29 -7.661 -2.366 1.390
216 1HB ARG 29 HB2 ARG 29 -8.586 -4.470 2.770
217 2HB ARG 29 HB1 ARG 29 -7.727 -3.660 4.080
218 1HG ARG 29 HG2 ARG 29 -8.954 -1.517 3.233
219 2HG ARG 29 HG1 ARG 29 -10.042 -2.656 2.437
220 1HD ARG 29 HD2 ARG 29 -9.384 -3.129 5.327
221 2HD ARG 29 HD1 ARG 29 -10.546 -1.850 4.920
222 HE ARG 29 HE ARG 29 -11.620 -3.739 3.440
223 1HH1 ARG 29 HH11 ARG 29 -9.550 -5.604 4.914
224 2HH1 ARG 29 HH12 ARG 29 -10.620 -6.390 6.026
225 1HH2 ARG 29 HH21 ARG 29 -13.216 -4.133 5.541
226 2HH2 ARG 29 HH22 ARG 29 -12.699 -5.556 6.382
227 H TRP 30 HN TRP 30 -4.603 -2.931 1.682
228 HA TRP 30 HA TRP 30 -4.061 -0.527 3.262
229 1HB TRP 30 HB2 TRP 30 -2.642 -1.705 4.937
230 2HB TRP 30 HB1 TRP 30 -4.332 -2.178 5.043
231 HD1 TRP 30 HD1 TRP 30 -1.407 -3.484 2.836
232 HE1 TRP 30 HE1 TRP 30 -1.336 -6.048 3.058
233 HE3 TRP 30 HE3 TRP 30 -5.214 -4.187 6.169
234 HZ2 TRP 30 HZ2 TRP 30 -2.706 -8.125 4.467
235 HZ3 TRP 30 HZ3 TRP 30 -5.806 -6.468 6.935
236 HH2 TRP 30 HH2 TRP 30 -4.558 -8.436 6.089
237 H CYS 31 HN CYS 31 -1.504 -0.343 3.520
238 HA CYS 31 HA CYS 31 -0.365 -0.379 0.867
239 1HB CYS 31 HB2 CYS 31 0.524 0.238 3.669
240 2HB CYS 31 HB1 CYS 31 1.747 0.108 2.407
241 H LYS 32 HN LYS 32 0.282 -2.264 -0.118
242 HA LYS 32 HA LYS 32 1.665 -4.334 1.567
243 1HB LYS 32 HB2 LYS 32 -0.664 -4.813 0.611
244 2HB LYS 32 HB1 LYS 32 0.092 -4.784 -0.983
245 1HG LYS 32 HG2 LYS 32 1.686 -6.548 -0.214
246 2HG LYS 32 HG1 LYS 32 0.810 -6.628 1.315
247 1HD LYS 32 HD2 LYS 32 -1.047 -7.621 0.364
248 2HD LYS 32 HD1 LYS 32 -0.758 -6.896 -1.218
249 1HE LYS 32 HE2 LYS 32 0.915 -8.481 -1.771
250 2HE LYS 32 HE1 LYS 32 1.131 -8.968 -0.078
251 1HZ LYS 32 HZ1 LYS 32 -1.167 -9.766 -0.067
252 2HZ LYS 32 HZ2 LYS 32 -0.239 -10.578 -1.236
253 3HZ LYS 32 HZ3 LYS 32 -1.326 -9.361 -1.707
254 H TYR 33 HN TYR 33 3.580 -5.215 0.692
255 HA TYR 33 HA TYR 33 5.238 -3.657 -0.963
256 1HB TYR 33 HB2 TYR 33 6.661 -5.613 -0.999
257 2HB TYR 33 HB1 TYR 33 5.836 -5.602 0.558
258 HD1 TYR 33 HD1 TYR 33 6.135 -7.277 -2.700
259 HD2 TYR 33 HD2 TYR 33 4.010 -7.189 1.033
260 HE1 TYR 33 HE1 TYR 33 5.191 -9.519 -3.184
261 HE2 TYR 33 HE2 TYR 33 3.067 -9.429 0.548
262 HH TYR 33 HH TYR 33 2.652 -10.742 -1.967
263 H GLN 34 HN GLN 34 5.594 -3.558 -3.193
264 HA GLN 34 HA GLN 34 3.445 -4.446 -4.941
265 1HB GLN 34 HB2 GLN 34 4.995 -2.357 -5.035
266 2HB GLN 34 HB1 GLN 34 6.158 -3.437 -5.804
267 1HG GLN 34 HG2 GLN 34 3.425 -3.626 -6.898
268 2HG GLN 34 HG1 GLN 34 4.194 -2.059 -7.143
269 1HE2 GLN 34 HE21 GLN 34 4.216 -2.727 -9.509
270 2HE2 GLN 34 HE22 GLN 34 5.476 -3.724 -10.057
271 H ILE 35 HN ILE 35 3.300 -6.437 -5.858
272 HA ILE 35 HA ILE 35 5.605 -8.287 -5.769
273 HB ILE 35 HB ILE 35 3.202 -8.808 -5.102
274 1HG1 ILE 35 HG12 ILE 35 4.047 -10.645 -7.326
275 2HG1 ILE 35 HG11 ILE 35 5.088 -10.457 -5.915
276 1HG2 ILE 35 HG21 ILE 35 2.252 -7.602 -7.141
277 2HG2 ILE 35 HG22 ILE 35 1.563 -9.189 -6.804
278 3HG2 ILE 35 HG23 ILE 35 2.754 -9.001 -8.090
279 1HD1 ILE 35 HD11 ILE 35 2.321 -11.602 -6.090
280 2HD1 ILE 35 HD12 ILE 35 2.838 -10.840 -4.586
281 3HD1 ILE 35 HD13 ILE 35 3.731 -12.219 -5.228
Start of MODEL 15
1 1H GLU 1 HT1 GLU 1 1.249 12.183 7.372
2 2H GLU 1 HT2 GLU 1 0.517 10.652 7.281
3 3H GLU 1 HT3 GLU 1 0.454 11.708 5.951
4 HA GLU 1 HA GLU 1 2.859 11.545 5.666
5 1HB GLU 1 HB2 GLU 1 2.485 10.491 8.348
6 2HB GLU 1 HB1 GLU 1 3.445 9.377 7.374
7 1HG GLU 1 HG2 GLU 1 4.013 12.348 7.571
8 2HG GLU 1 HG1 GLU 1 4.805 11.133 8.574
9 H CYS 2 HN CYS 2 3.960 9.101 5.252
10 HA CYS 2 HA CYS 2 2.374 7.924 3.180
11 1HB CYS 2 HB2 CYS 2 4.203 6.332 3.073
12 2HB CYS 2 HB1 CYS 2 4.881 7.913 3.454
13 H LEU 3 HN LEU 3 1.563 5.649 3.146
14 HA LEU 3 HA LEU 3 0.170 4.988 5.690
15 1HB LEU 3 HB2 LEU 3 -0.105 3.973 2.840
16 2HB LEU 3 HB1 LEU 3 -1.180 3.551 4.172
17 HG LEU 3 HG LEU 3 -0.680 6.433 3.435
18 1HD1 LEU 3 HD11 LEU 3 -2.311 6.416 1.789
19 2HD1 LEU 3 HD12 LEU 3 -3.089 4.968 2.426
20 3HD1 LEU 3 HD13 LEU 3 -1.580 4.833 1.523
21 1HD2 LEU 3 HD21 LEU 3 -1.772 6.221 5.523
22 2HD2 LEU 3 HD22 LEU 3 -2.764 4.873 4.965
23 3HD2 LEU 3 HD23 LEU 3 -3.085 6.507 4.381
24 H GLU 4 HN GLU 4 0.913 3.356 6.964
25 HA GLU 4 HA GLU 4 3.190 1.709 6.173
26 1HB GLU 4 HB2 GLU 4 1.882 2.593 8.524
27 2HB GLU 4 HB1 GLU 4 1.797 0.832 8.554
28 1HG GLU 4 HG2 GLU 4 4.409 1.551 7.660
29 2HG GLU 4 HG1 GLU 4 4.054 2.506 9.100
30 H ILE 5 HN ILE 5 2.733 -0.788 7.117
31 HA ILE 5 HA ILE 5 1.199 -2.070 5.046
32 HB ILE 5 HB ILE 5 3.233 -2.810 6.521
33 1HG1 ILE 5 HG12 ILE 5 1.833 -4.104 4.723
34 2HG1 ILE 5 HG11 ILE 5 2.917 -5.003 5.779
35 1HG2 ILE 5 HG21 ILE 5 2.714 -4.113 8.472
36 2HG2 ILE 5 HG22 ILE 5 0.981 -3.967 8.184
37 3HG2 ILE 5 HG23 ILE 5 1.917 -2.552 8.662
38 1HD1 ILE 5 HD11 ILE 5 0.202 -4.633 6.870
39 2HD1 ILE 5 HD12 ILE 5 1.203 -6.082 6.813
40 3HD1 ILE 5 HD13 ILE 5 0.267 -5.602 5.399
41 H PHE 6 HN PHE 6 -0.772 -3.302 5.274
42 HA PHE 6 HA PHE 6 -2.994 -3.635 5.969
43 1HB PHE 6 HB2 PHE 6 -1.430 -3.323 8.528
44 2HB PHE 6 HB1 PHE 6 -3.175 -3.551 8.581
45 HD1 PHE 6 HD1 PHE 6 -0.631 -5.388 9.372
46 HD2 PHE 6 HD2 PHE 6 -3.516 -5.360 6.186
47 HE1 PHE 6 HE1 PHE 6 -0.315 -7.827 9.061
48 HE2 PHE 6 HE2 PHE 6 -3.196 -7.798 5.877
49 HZ PHE 6 HZ PHE 6 -1.596 -9.032 7.314
50 H LYS 7 HN LYS 7 -2.304 -0.979 5.103
51 HA LYS 7 HA LYS 7 -4.067 0.699 6.863
52 1HB LYS 7 HB2 LYS 7 -1.590 1.226 5.235
53 2HB LYS 7 HB1 LYS 7 -2.716 2.546 5.546
54 1HG LYS 7 HG2 LYS 7 -2.407 1.250 8.021
55 2HG LYS 7 HG1 LYS 7 -0.783 1.339 7.341
56 1HD LYS 7 HD2 LYS 7 -0.852 3.427 8.299
57 2HD LYS 7 HD1 LYS 7 -1.608 3.831 6.758
58 1HE LYS 7 HE2 LYS 7 -3.201 4.709 8.213
59 2HE LYS 7 HE1 LYS 7 -3.816 3.050 8.084
60 1HZ LYS 7 HZ1 LYS 7 -3.537 3.692 10.405
61 2HZ LYS 7 HZ2 LYS 7 -1.894 4.030 10.134
62 3HZ LYS 7 HZ3 LYS 7 -2.471 2.437 10.000
63 H ALA 8 HN ALA 8 -5.973 1.297 5.909
64 HA ALA 8 HA ALA 8 -6.910 0.441 3.404
65 1HB ALA 8 HB1 ALA 8 -7.696 2.184 5.554
66 2HB ALA 8 HB2 ALA 8 -8.726 1.346 4.394
67 3HB ALA 8 HB3 ALA 8 -8.105 2.953 4.021
68 H CYS 9 HN CYS 9 -6.079 0.908 1.417
69 HA CYS 9 HA CYS 9 -5.248 3.730 0.839
70 1HB CYS 9 HB2 CYS 9 -3.416 1.943 1.372
71 2HB CYS 9 HB1 CYS 9 -3.792 1.319 -0.234
72 H ASN 10 HN ASN 10 -5.314 4.237 -1.491
73 HA ASN 10 HA ASN 10 -7.358 2.597 -2.945
74 1HB ASN 10 HB2 ASN 10 -6.959 5.394 -2.378
75 2HB ASN 10 HB1 ASN 10 -6.927 5.156 -4.124
76 1HD2 ASN 10 HD21 ASN 10 -9.048 6.075 -4.494
77 2HD2 ASN 10 HD22 ASN 10 -10.467 5.312 -3.959
78 HA PRO 11 HA PRO 11 -4.408 1.625 -6.075
79 1HB PRO 11 HB2 PRO 11 -5.999 1.599 -8.308
80 2HB PRO 11 HB1 PRO 11 -6.033 0.318 -7.080
81 1HG PRO 11 HG2 PRO 11 -7.888 2.615 -7.469
82 2HG PRO 11 HG1 PRO 11 -8.246 0.940 -7.020
83 1HD PRO 11 HD2 PRO 11 -8.181 2.976 -5.221
84 2HD PRO 11 HD1 PRO 11 -7.781 1.296 -4.801
85 H SER 12 HN SER 12 -6.615 4.341 -6.814
86 HA SER 12 HA SER 12 -4.854 5.569 -8.783
87 1HB SER 12 HB2 SER 12 -7.384 5.791 -8.535
88 2HB SER 12 HB1 SER 12 -7.077 6.823 -7.141
89 HG SER 12 HG SER 12 -7.118 8.248 -8.754
90 H ASN 13 HN ASN 13 -5.667 6.294 -5.363
91 HA ASN 13 HA ASN 13 -3.422 8.240 -5.237
92 1HB ASN 13 HB2 ASN 13 -5.816 8.632 -4.393
93 2HB ASN 13 HB1 ASN 13 -5.436 7.498 -3.098
94 1HD2 ASN 13 HD21 ASN 13 -5.772 9.482 -1.654
95 2HD2 ASN 13 HD22 ASN 13 -4.468 10.547 -1.443
96 H ASP 14 HN ASP 14 -1.905 6.291 -5.470
97 HA ASP 14 HA ASP 14 -1.674 4.467 -3.184
98 1HB ASP 14 HB2 ASP 14 -1.095 3.653 -5.363
99 2HB ASP 14 HB1 ASP 14 -0.079 5.055 -5.694
100 H GLN 15 HN GLN 15 -1.123 5.592 -1.303
101 HA GLN 15 HA GLN 15 1.378 7.255 -1.404
102 1HB GLN 15 HB2 GLN 15 -1.292 7.592 -0.061
103 2HB GLN 15 HB1 GLN 15 0.138 8.295 0.696
104 1HG GLN 15 HG2 GLN 15 0.517 9.094 -1.875
105 2HG GLN 15 HG1 GLN 15 -1.245 9.070 -1.810
106 1HE2 GLN 15 HE21 GLN 15 -2.185 10.947 -0.975
107 2HE2 GLN 15 HE22 GLN 15 -1.395 12.067 0.026
108 H CYS 16 HN CYS 16 1.690 4.561 -1.026
109 HA CYS 16 HA CYS 16 1.597 3.833 1.815
110 1HB CYS 16 HB2 CYS 16 1.448 2.455 -0.483
111 2HB CYS 16 HB1 CYS 16 3.188 2.337 -0.225
112 H CYS 17 HN CYS 17 3.634 3.140 2.951
113 HA CYS 17 HA CYS 17 5.689 5.202 2.792
114 1HB CYS 17 HB2 CYS 17 5.516 2.597 4.347
115 2HB CYS 17 HB1 CYS 17 6.653 3.903 4.675
116 H LYS 18 HN LYS 18 7.383 5.140 1.383
117 HA LYS 18 HA LYS 18 8.035 2.721 -0.137
118 1HB LYS 18 HB2 LYS 18 8.635 5.605 -0.121
119 2HB LYS 18 HB1 LYS 18 9.990 4.604 -0.643
120 1HG LYS 18 HG2 LYS 18 8.986 4.083 -2.599
121 2HG LYS 18 HG1 LYS 18 7.447 3.742 -1.809
122 1HD LYS 18 HD2 LYS 18 7.897 6.557 -1.651
123 2HD LYS 18 HD1 LYS 18 8.184 6.059 -3.318
124 1HE LYS 18 HE2 LYS 18 5.994 5.160 -3.548
125 2HE LYS 18 HE1 LYS 18 5.727 5.155 -1.794
126 1HZ LYS 18 HZ1 LYS 18 6.242 7.610 -3.388
127 2HZ LYS 18 HZ2 LYS 18 5.802 7.528 -1.749
128 3HZ LYS 18 HZ3 LYS 18 4.693 7.078 -2.953
129 H SER 19 HN SER 19 9.115 4.083 2.859
130 HA SER 19 HA SER 19 11.856 3.166 2.838
131 1HB SER 19 HB2 SER 19 10.298 4.775 4.394
132 2HB SER 19 HB1 SER 19 10.362 3.329 5.397
133 HG SER 19 HG SER 19 12.423 3.661 5.735
134 H SER 20 HN SER 20 8.787 1.683 3.897
135 HA SER 20 HA SER 20 10.238 -0.774 4.755
136 1HB SER 20 HB2 SER 20 7.854 0.673 5.490
137 2HB SER 20 HB1 SER 20 7.431 -0.990 5.091
138 HG SER 20 HG SER 20 8.083 -1.221 7.113
139 H LYS 21 HN LYS 21 9.499 0.203 1.818
140 HA LYS 21 HA LYS 21 8.843 -0.833 -0.193
141 1HB LYS 21 HB2 LYS 21 10.469 -2.477 1.301
142 2HB LYS 21 HB1 LYS 21 9.095 -3.533 0.977
143 1HG LYS 21 HG2 LYS 21 10.371 -3.913 -0.924
144 2HG LYS 21 HG1 LYS 21 9.359 -2.579 -1.482
145 1HD LYS 21 HD2 LYS 21 11.102 -0.971 -1.019
146 2HD LYS 21 HD1 LYS 21 12.090 -2.199 -0.226
147 1HE LYS 21 HE2 LYS 21 12.326 -3.417 -2.355
148 2HE LYS 21 HE1 LYS 21 11.305 -2.213 -3.164
149 1HZ LYS 21 HZ1 LYS 21 12.851 -0.488 -2.541
150 2HZ LYS 21 HZ2 LYS 21 13.686 -1.703 -3.385
151 3HZ LYS 21 HZ3 LYS 21 13.817 -1.597 -1.695
152 H LEU 22 HN LEU 22 6.584 0.001 0.638
153 HA LEU 22 HA LEU 22 4.730 -2.354 0.864
154 1HB LEU 22 HB2 LEU 22 4.641 0.420 2.092
155 2HB LEU 22 HB1 LEU 22 3.284 -0.703 2.139
156 HG LEU 22 HG LEU 22 5.999 -1.578 3.103
157 1HD1 LEU 22 HD11 LEU 22 3.924 0.026 4.621
158 2HD1 LEU 22 HD12 LEU 22 5.617 0.445 4.359
159 3HD1 LEU 22 HD13 LEU 22 5.195 -0.908 5.410
160 1HD2 LEU 22 HD21 LEU 22 4.830 -3.318 4.082
161 2HD2 LEU 22 HD22 LEU 22 3.752 -2.985 2.727
162 3HD2 LEU 22 HD23 LEU 22 3.380 -2.344 4.327
163 H VAL 23 HN VAL 23 2.770 -2.187 -0.369
164 HA VAL 23 HA VAL 23 2.580 0.134 -2.258
165 HB VAL 23 HB VAL 23 2.100 -1.535 -4.059
166 1HG1 VAL 23 HG11 VAL 23 4.733 -2.230 -2.758
167 2HG1 VAL 23 HG12 VAL 23 4.446 -0.636 -3.457
168 3HG1 VAL 23 HG13 VAL 23 4.364 -2.074 -4.475
169 1HG2 VAL 23 HG21 VAL 23 3.275 -3.835 -2.766
170 2HG2 VAL 23 HG22 VAL 23 1.708 -3.699 -3.562
171 3HG2 VAL 23 HG23 VAL 23 1.865 -3.302 -1.852
172 H CYS 24 HN CYS 24 0.435 0.673 -2.855
173 HA CYS 24 HA CYS 24 -1.684 -0.314 -1.063
174 1HB CYS 24 HB2 CYS 24 -1.584 1.716 -3.319
175 2HB CYS 24 HB1 CYS 24 -2.989 1.455 -2.287
176 H SER 25 HN SER 25 -2.420 -2.366 -1.658
177 HA SER 25 HA SER 25 -2.966 -2.898 -4.552
178 1HB SER 25 HB2 SER 25 -2.070 -4.409 -2.220
179 2HB SER 25 HB1 SER 25 -3.409 -5.211 -3.038
180 HG SER 25 HG SER 25 -2.199 -5.481 -4.774
181 H ARG 26 HN ARG 26 -5.072 -2.976 -5.266
182 HA ARG 26 HA ARG 26 -7.271 -2.334 -3.478
183 1HB ARG 26 HB2 ARG 26 -8.598 -2.487 -5.534
184 2HB ARG 26 HB1 ARG 26 -7.091 -1.637 -5.864
185 1HG ARG 26 HG2 ARG 26 -6.130 -3.558 -6.920
186 2HG ARG 26 HG1 ARG 26 -7.421 -4.609 -6.336
187 1HD ARG 26 HD2 ARG 26 -8.672 -4.137 -8.164
188 2HD ARG 26 HD1 ARG 26 -8.562 -2.399 -7.823
189 HE ARG 26 HE ARG 26 -6.445 -2.350 -9.079
190 1HH1 ARG 26 HH11 ARG 26 -5.759 -5.278 -8.764
191 2HH1 ARG 26 HH12 ARG 26 -6.075 -5.886 -10.355
192 1HH2 ARG 26 HH21 ARG 26 -7.942 -3.121 -11.327
193 2HH2 ARG 26 HH22 ARG 26 -7.314 -4.661 -11.810
194 H LYS 27 HN LYS 27 -5.864 -5.328 -4.641
195 HA LYS 27 HA LYS 27 -8.100 -7.095 -4.282
196 1HB LYS 27 HB2 LYS 27 -6.047 -7.677 -5.496
197 2HB LYS 27 HB1 LYS 27 -5.096 -7.489 -4.023
198 1HG LYS 27 HG2 LYS 27 -5.439 -9.819 -4.167
199 2HG LYS 27 HG1 LYS 27 -6.671 -9.290 -3.021
200 1HD LYS 27 HD2 LYS 27 -8.387 -9.368 -4.687
201 2HD LYS 27 HD1 LYS 27 -7.208 -9.554 -5.987
202 1HE LYS 27 HE2 LYS 27 -6.506 -11.745 -4.878
203 2HE LYS 27 HE1 LYS 27 -7.949 -11.582 -3.858
204 1HZ LYS 27 HZ1 LYS 27 -8.645 -12.776 -5.751
205 2HZ LYS 27 HZ2 LYS 27 -7.817 -11.745 -6.816
206 3HZ LYS 27 HZ3 LYS 27 -9.200 -11.193 -5.999
207 H THR 28 HN THR 28 -5.396 -6.242 -2.081
208 HA THR 28 HA THR 28 -6.644 -7.636 0.190
209 HB THR 28 HB THR 28 -4.627 -6.420 1.329
210 HG1 THR 28 HG1 THR 28 -3.222 -5.480 0.007
211 1HG2 THR 28 HG21 THR 28 -3.038 -8.043 0.081
212 2HG2 THR 28 HG22 THR 28 -4.486 -8.547 -0.790
213 3HG2 THR 28 HG23 THR 28 -4.404 -8.725 0.963
214 H ARG 29 HN ARG 29 -6.864 -4.499 -1.224
215 HA ARG 29 HA ARG 29 -8.160 -2.633 -0.606
216 1HB ARG 29 HB2 ARG 29 -9.356 -4.753 0.598
217 2HB ARG 29 HB1 ARG 29 -8.915 -3.802 2.017
218 1HG ARG 29 HG2 ARG 29 -10.217 -1.968 1.353
219 2HG ARG 29 HG1 ARG 29 -10.249 -2.479 -0.335
220 1HD ARG 29 HD2 ARG 29 -11.437 -4.626 0.947
221 2HD ARG 29 HD1 ARG 29 -12.046 -3.235 1.866
222 HE ARG 29 HE ARG 29 -12.656 -2.229 -0.393
223 1HH1 ARG 29 HH11 ARG 29 -11.385 -4.310 -2.116
224 2HH1 ARG 29 HH12 ARG 29 -12.727 -5.327 -2.522
225 1HH2 ARG 29 HH21 ARG 29 -14.760 -4.105 0.017
226 2HH2 ARG 29 HH22 ARG 29 -14.643 -5.210 -1.311
227 H TRP 30 HN TRP 30 -5.322 -3.473 0.693
228 HA TRP 30 HA TRP 30 -5.086 -0.940 2.177
229 1HB TRP 30 HB2 TRP 30 -4.242 -2.097 4.225
230 2HB TRP 30 HB1 TRP 30 -5.931 -2.459 3.892
231 HD1 TRP 30 HD1 TRP 30 -2.586 -4.065 2.712
232 HE1 TRP 30 HE1 TRP 30 -2.794 -6.617 3.002
233 HE3 TRP 30 HE3 TRP 30 -7.292 -4.349 4.674
234 HZ2 TRP 30 HZ2 TRP 30 -4.703 -8.527 3.943
235 HZ3 TRP 30 HZ3 TRP 30 -8.278 -6.543 5.261
236 HH2 TRP 30 HH2 TRP 30 -6.991 -8.631 4.899
237 H CYS 31 HN CYS 31 -2.693 -0.896 3.131
238 HA CYS 31 HA CYS 31 -0.882 -1.224 0.884
239 1HB CYS 31 HB2 CYS 31 -0.955 -0.051 3.580
240 2HB CYS 31 HB1 CYS 31 0.632 -0.675 3.132
241 H LYS 32 HN LYS 32 0.317 -3.022 0.420
242 HA LYS 32 HA LYS 32 0.775 -5.033 2.605
243 1HB LYS 32 HB2 LYS 32 -0.901 -5.586 0.772
244 2HB LYS 32 HB1 LYS 32 0.448 -5.549 -0.364
245 1HG LYS 32 HG2 LYS 32 1.603 -7.289 0.975
246 2HG LYS 32 HG1 LYS 32 0.218 -7.351 2.065
247 1HD LYS 32 HD2 LYS 32 -1.188 -7.824 -0.045
248 2HD LYS 32 HD1 LYS 32 0.350 -8.161 -0.839
249 1HE LYS 32 HE2 LYS 32 0.801 -9.733 1.199
250 2HE LYS 32 HE1 LYS 32 -0.956 -9.648 1.437
251 1HZ LYS 32 HZ1 LYS 32 -0.509 -11.437 -0.061
252 2HZ LYS 32 HZ2 LYS 32 0.478 -10.458 -1.037
253 3HZ LYS 32 HZ3 LYS 32 -1.197 -10.178 -0.964
254 H TYR 33 HN TYR 33 2.855 -5.936 2.699
255 HA TYR 33 HA TYR 33 5.091 -4.430 1.807
256 1HB TYR 33 HB2 TYR 33 6.375 -6.391 2.563
257 2HB TYR 33 HB1 TYR 33 5.049 -6.076 3.679
258 HD1 TYR 33 HD1 TYR 33 6.236 -8.275 0.937
259 HD2 TYR 33 HD2 TYR 33 3.203 -7.622 3.912
260 HE1 TYR 33 HE1 TYR 33 5.367 -10.566 0.560
261 HE2 TYR 33 HE2 TYR 33 2.338 -9.912 3.530
262 HH TYR 33 HH TYR 33 2.520 -11.592 1.276
263 H GLN 34 HN GLN 34 6.565 -4.763 0.065
264 HA GLN 34 HA GLN 34 5.392 -5.856 -2.386
265 1HB GLN 34 HB2 GLN 34 6.759 -3.782 -2.260
266 2HB GLN 34 HB1 GLN 34 8.149 -4.745 -1.759
267 1HG GLN 34 HG2 GLN 34 6.999 -5.907 -4.130
268 2HG GLN 34 HG1 GLN 34 7.297 -4.192 -4.410
269 1HE2 GLN 34 HE21 GLN 34 9.469 -3.545 -4.725
270 2HE2 GLN 34 HE22 GLN 34 10.800 -4.583 -4.549
271 H ILE 35 HN ILE 35 5.951 -7.781 -3.390
272 HA ILE 35 HA ILE 35 8.035 -9.474 -2.053
273 HB ILE 35 HB ILE 35 5.569 -10.027 -1.650
274 1HG1 ILE 35 HG12 ILE 35 6.753 -12.368 -3.054
275 2HG1 ILE 35 HG11 ILE 35 7.738 -11.626 -1.793
276 1HG2 ILE 35 HG21 ILE 35 4.388 -11.197 -3.452
277 2HG2 ILE 35 HG22 ILE 35 5.738 -10.904 -4.547
278 3HG2 ILE 35 HG23 ILE 35 4.780 -9.550 -3.945
279 1HD1 ILE 35 HD11 ILE 35 4.906 -11.977 -1.054
280 2HD1 ILE 35 HD12 ILE 35 6.364 -12.337 -0.130
281 3HD1 ILE 35 HD13 ILE 35 5.774 -13.488 -1.329
Start of MODEL 16
1 1H GLU 1 HT1 GLU 1 3.387 13.279 2.174
2 2H GLU 1 HT2 GLU 1 2.108 12.215 1.828
3 3H GLU 1 HT3 GLU 1 3.439 12.318 0.777
4 HA GLU 1 HA GLU 1 4.900 11.376 2.452
5 1HB GLU 1 HB2 GLU 1 2.930 12.442 4.101
6 2HB GLU 1 HB1 GLU 1 2.704 10.702 4.278
7 1HG GLU 1 HG2 GLU 1 4.898 10.373 5.075
8 2HG GLU 1 HG1 GLU 1 5.457 11.921 4.441
9 H CYS 2 HN CYS 2 5.134 9.070 2.509
10 HA CYS 2 HA CYS 2 3.242 7.606 0.787
11 1HB CYS 2 HB2 CYS 2 4.980 5.913 0.809
12 2HB CYS 2 HB1 CYS 2 5.752 7.486 0.632
13 H LEU 3 HN LEU 3 2.235 5.587 1.464
14 HA LEU 3 HA LEU 3 1.285 5.658 4.257
15 1HB LEU 3 HB2 LEU 3 0.645 3.997 1.801
16 2HB LEU 3 HB1 LEU 3 -0.178 3.791 3.347
17 HG LEU 3 HG LEU 3 -0.005 6.512 2.065
18 1HD1 LEU 3 HD11 LEU 3 -0.988 5.277 0.298
19 2HD1 LEU 3 HD12 LEU 3 -2.363 5.929 1.189
20 3HD1 LEU 3 HD13 LEU 3 -1.889 4.245 1.409
21 1HD2 LEU 3 HD21 LEU 3 -2.158 6.767 3.339
22 2HD2 LEU 3 HD22 LEU 3 -0.770 6.423 4.372
23 3HD2 LEU 3 HD23 LEU 3 -1.918 5.143 3.983
24 H GLU 4 HN GLU 4 2.097 4.364 5.854
25 HA GLU 4 HA GLU 4 4.320 2.556 5.360
26 1HB GLU 4 HB2 GLU 4 2.614 3.398 7.697
27 2HB GLU 4 HB1 GLU 4 3.764 2.074 7.881
28 1HG GLU 4 HG2 GLU 4 5.009 4.291 6.497
29 2HG GLU 4 HG1 GLU 4 4.320 4.835 8.027
30 H ILE 5 HN ILE 5 4.184 0.239 6.312
31 HA ILE 5 HA ILE 5 2.269 -1.309 4.854
32 HB ILE 5 HB ILE 5 4.601 -1.881 5.735
33 1HG1 ILE 5 HG12 ILE 5 2.484 -3.465 4.989
34 2HG1 ILE 5 HG11 ILE 5 4.121 -4.050 5.265
35 1HG2 ILE 5 HG21 ILE 5 3.082 -2.641 8.243
36 2HG2 ILE 5 HG22 ILE 5 4.038 -1.167 8.098
37 3HG2 ILE 5 HG23 ILE 5 4.822 -2.741 7.965
38 1HD1 ILE 5 HD11 ILE 5 2.190 -5.271 6.479
39 2HD1 ILE 5 HD12 ILE 5 2.134 -3.855 7.528
40 3HD1 ILE 5 HD13 ILE 5 3.602 -4.827 7.437
41 H PHE 6 HN PHE 6 0.474 -2.554 5.630
42 HA PHE 6 HA PHE 6 -1.533 -2.845 6.826
43 1HB PHE 6 HB2 PHE 6 0.592 -2.455 8.936
44 2HB PHE 6 HB1 PHE 6 -1.082 -2.758 9.389
45 HD1 PHE 6 HD1 PHE 6 -0.873 -4.388 6.364
46 HD2 PHE 6 HD2 PHE 6 0.655 -4.717 10.370
47 HE1 PHE 6 HE1 PHE 6 -0.522 -6.816 6.033
48 HE2 PHE 6 HE2 PHE 6 1.005 -7.147 10.031
49 HZ PHE 6 HZ PHE 6 0.418 -8.197 7.864
50 H LYS 7 HN LYS 7 -1.199 -0.250 5.747
51 HA LYS 7 HA LYS 7 -2.569 1.431 7.827
52 1HB LYS 7 HB2 LYS 7 -0.198 2.090 7.367
53 2HB LYS 7 HB1 LYS 7 -0.619 2.308 5.668
54 1HG LYS 7 HG2 LYS 7 -1.440 4.362 6.081
55 2HG LYS 7 HG1 LYS 7 -2.512 3.723 7.326
56 1HD LYS 7 HD2 LYS 7 0.389 4.008 7.994
57 2HD LYS 7 HD1 LYS 7 -0.592 5.472 7.925
58 1HE LYS 7 HE2 LYS 7 -2.266 4.240 9.449
59 2HE LYS 7 HE1 LYS 7 -0.964 3.066 9.726
60 1HZ LYS 7 HZ1 LYS 7 0.502 5.011 10.224
61 2HZ LYS 7 HZ2 LYS 7 -0.734 4.755 11.362
62 3HZ LYS 7 HZ3 LYS 7 -0.881 5.995 10.210
63 H ALA 8 HN ALA 8 -4.307 2.717 7.015
64 HA ALA 8 HA ALA 8 -5.972 1.770 4.994
65 1HB ALA 8 HB1 ALA 8 -6.875 4.132 5.012
66 2HB ALA 8 HB2 ALA 8 -5.474 4.599 5.976
67 3HB ALA 8 HB3 ALA 8 -6.642 3.445 6.620
68 H CYS 9 HN CYS 9 -5.590 1.521 2.829
69 HA CYS 9 HA CYS 9 -3.738 3.449 1.465
70 1HB CYS 9 HB2 CYS 9 -3.993 0.561 1.585
71 2HB CYS 9 HB1 CYS 9 -4.103 1.121 -0.084
72 H ASN 10 HN ASN 10 -4.275 3.708 -0.930
73 HA ASN 10 HA ASN 10 -7.248 3.801 -1.325
74 1HB ASN 10 HB2 ASN 10 -5.569 5.901 -1.089
75 2HB ASN 10 HB1 ASN 10 -5.399 5.603 -2.819
76 1HD2 ASN 10 HD21 ASN 10 -7.368 7.141 -0.491
77 2HD2 ASN 10 HD22 ASN 10 -8.729 7.407 -1.470
78 HA PRO 11 HA PRO 11 -6.219 1.044 -4.685
79 1HB PRO 11 HB2 PRO 11 -8.750 0.865 -5.721
80 2HB PRO 11 HB1 PRO 11 -8.225 -0.026 -4.278
81 1HG PRO 11 HG2 PRO 11 -9.815 2.484 -4.478
82 2HG PRO 11 HG1 PRO 11 -10.001 1.114 -3.372
83 1HD PRO 11 HD2 PRO 11 -8.827 3.459 -2.651
84 2HD PRO 11 HD1 PRO 11 -8.403 1.892 -1.924
85 H SER 12 HN SER 12 -8.088 4.047 -5.088
86 HA SER 12 HA SER 12 -7.722 4.225 -7.968
87 1HB SER 12 HB2 SER 12 -8.653 5.988 -5.720
88 2HB SER 12 HB1 SER 12 -8.343 6.709 -7.297
89 HG SER 12 HG SER 12 -10.187 5.919 -7.888
90 H ASN 13 HN ASN 13 -6.100 5.704 -5.142
91 HA ASN 13 HA ASN 13 -3.799 6.383 -6.940
92 1HB ASN 13 HB2 ASN 13 -3.590 8.447 -5.433
93 2HB ASN 13 HB1 ASN 13 -4.973 8.429 -6.523
94 1HD2 ASN 13 HD21 ASN 13 -4.012 8.361 -3.142
95 2HD2 ASN 13 HD22 ASN 13 -5.582 8.387 -2.498
96 H ASP 14 HN ASP 14 -3.101 4.199 -6.006
97 HA ASP 14 HA ASP 14 -2.533 3.815 -3.233
98 1HB ASP 14 HB2 ASP 14 -1.050 2.035 -4.072
99 2HB ASP 14 HB1 ASP 14 -2.553 2.055 -4.989
100 H GLN 15 HN GLN 15 -0.888 4.588 -1.945
101 HA GLN 15 HA GLN 15 1.447 5.930 -3.249
102 1HB GLN 15 HB2 GLN 15 -0.785 7.090 -1.783
103 2HB GLN 15 HB1 GLN 15 0.747 7.462 -0.994
104 1HG GLN 15 HG2 GLN 15 0.624 7.744 -3.965
105 2HG GLN 15 HG1 GLN 15 -0.198 8.965 -2.994
106 1HE2 GLN 15 HE21 GLN 15 2.974 7.612 -3.796
107 2HE2 GLN 15 HE22 GLN 15 3.881 8.825 -3.030
108 H CYS 16 HN CYS 16 1.468 3.344 -2.042
109 HA CYS 16 HA CYS 16 2.234 3.386 0.739
110 1HB CYS 16 HB2 CYS 16 2.421 1.526 -1.602
111 2HB CYS 16 HB1 CYS 16 3.381 1.154 -0.170
112 H CYS 17 HN CYS 17 4.462 2.968 1.543
113 HA CYS 17 HA CYS 17 6.399 4.813 0.438
114 1HB CYS 17 HB2 CYS 17 6.688 2.583 2.481
115 2HB CYS 17 HB1 CYS 17 7.794 3.940 2.275
116 H LYS 18 HN LYS 18 7.394 4.346 -1.492
117 HA LYS 18 HA LYS 18 7.788 1.674 -2.520
118 1HB LYS 18 HB2 LYS 18 7.633 4.032 -3.664
119 2HB LYS 18 HB1 LYS 18 9.372 4.090 -3.369
120 1HG LYS 18 HG2 LYS 18 9.690 2.004 -4.597
121 2HG LYS 18 HG1 LYS 18 7.949 1.840 -4.820
122 1HD LYS 18 HD2 LYS 18 8.039 3.127 -6.660
123 2HD LYS 18 HD1 LYS 18 8.745 4.445 -5.724
124 1HE LYS 18 HE2 LYS 18 10.839 4.025 -6.519
125 2HE LYS 18 HE1 LYS 18 10.653 2.272 -6.317
126 1HZ LYS 18 HZ1 LYS 18 9.111 2.334 -8.254
127 2HZ LYS 18 HZ2 LYS 18 10.718 2.724 -8.644
128 3HZ LYS 18 HZ3 LYS 18 9.553 3.953 -8.507
129 H SER 19 HN SER 19 9.816 3.879 -0.618
130 HA SER 19 HA SER 19 12.342 2.583 -0.974
131 1HB SER 19 HB2 SER 19 11.724 4.833 0.112
132 2HB SER 19 HB1 SER 19 11.332 3.905 1.557
133 HG SER 19 HG SER 19 13.538 4.720 1.416
134 H SER 20 HN SER 20 9.602 1.879 1.177
135 HA SER 20 HA SER 20 11.088 -0.294 2.546
136 1HB SER 20 HB2 SER 20 8.362 0.991 2.798
137 2HB SER 20 HB1 SER 20 8.811 -0.431 3.735
138 HG SER 20 HG SER 20 9.781 0.906 5.021
139 H LYS 21 HN LYS 21 9.813 -0.159 -0.430
140 HA LYS 21 HA LYS 21 8.863 -1.707 -1.919
141 1HB LYS 21 HB2 LYS 21 9.784 -3.661 0.217
142 2HB LYS 21 HB1 LYS 21 9.563 -4.001 -1.497
143 1HG LYS 21 HG2 LYS 21 11.557 -2.005 -0.379
144 2HG LYS 21 HG1 LYS 21 11.958 -3.639 -0.903
145 1HD LYS 21 HD2 LYS 21 11.737 -3.130 -3.133
146 2HD LYS 21 HD1 LYS 21 10.462 -1.946 -2.845
147 1HE LYS 21 HE2 LYS 21 12.023 -0.316 -3.065
148 2HE LYS 21 HE1 LYS 21 12.785 -0.916 -1.579
149 1HZ LYS 21 HZ1 LYS 21 13.270 -1.914 -4.338
150 2HZ LYS 21 HZ2 LYS 21 13.917 -2.613 -2.930
151 3HZ LYS 21 HZ3 LYS 21 14.362 -1.037 -3.381
152 H LEU 22 HN LEU 22 6.813 -0.576 -0.771
153 HA LEU 22 HA LEU 22 5.052 -2.795 0.233
154 1HB LEU 22 HB2 LEU 22 5.201 0.139 0.996
155 2HB LEU 22 HB1 LEU 22 3.920 -0.946 1.528
156 HG LEU 22 HG LEU 22 6.861 -1.478 2.018
157 1HD1 LEU 22 HD11 LEU 22 6.103 0.597 3.162
158 2HD1 LEU 22 HD12 LEU 22 6.469 -0.695 4.306
159 3HD1 LEU 22 HD13 LEU 22 4.792 -0.317 3.909
160 1HD2 LEU 22 HD21 LEU 22 4.317 -2.884 2.552
161 2HD2 LEU 22 HD22 LEU 22 5.397 -2.778 3.942
162 3HD2 LEU 22 HD23 LEU 22 5.956 -3.526 2.447
163 H VAL 23 HN VAL 23 2.827 -2.670 -0.488
164 HA VAL 23 HA VAL 23 2.240 -0.686 -2.648
165 HB VAL 23 HB VAL 23 1.324 -2.651 -3.977
166 1HG1 VAL 23 HG11 VAL 23 3.615 -1.566 -4.290
167 2HG1 VAL 23 HG12 VAL 23 3.449 -3.209 -4.908
168 3HG1 VAL 23 HG13 VAL 23 4.276 -2.922 -3.377
169 1HG2 VAL 23 HG21 VAL 23 2.984 -4.301 -2.048
170 2HG2 VAL 23 HG22 VAL 23 1.981 -4.890 -3.374
171 3HG2 VAL 23 HG23 VAL 23 1.228 -4.179 -1.947
172 H CYS 24 HN CYS 24 0.084 -0.026 -2.652
173 HA CYS 24 HA CYS 24 -1.578 -0.596 -0.363
174 1HB CYS 24 HB2 CYS 24 -1.938 0.782 -3.027
175 2HB CYS 24 HB1 CYS 24 -3.280 0.636 -1.894
176 H SER 25 HN SER 25 -2.766 -2.436 -0.064
177 HA SER 25 HA SER 25 -3.562 -4.038 -2.464
178 1HB SER 25 HB2 SER 25 -2.971 -4.601 0.431
179 2HB SER 25 HB1 SER 25 -3.968 -5.729 -0.482
180 HG SER 25 HG SER 25 -1.895 -6.386 -0.781
181 H ARG 26 HN ARG 26 -5.596 -3.358 -3.093
182 HA ARG 26 HA ARG 26 -7.588 -2.224 -1.370
183 1HB ARG 26 HB2 ARG 26 -9.044 -2.544 -3.322
184 2HB ARG 26 HB1 ARG 26 -7.454 -1.992 -3.847
185 1HG ARG 26 HG2 ARG 26 -6.813 -4.234 -4.492
186 2HG ARG 26 HG1 ARG 26 -8.277 -4.909 -3.778
187 1HD ARG 26 HD2 ARG 26 -8.585 -2.784 -5.874
188 2HD ARG 26 HD1 ARG 26 -8.176 -4.433 -6.387
189 HE ARG 26 HE ARG 26 -10.333 -4.331 -4.409
190 1HH1 ARG 26 HH21 ARG 26 -10.167 -6.471 -6.451
191 2HH1 ARG 26 HH22 ARG 26 -11.390 -6.012 -7.588
192 1HH2 ARG 26 HH11 ARG 26 -11.612 -2.743 -6.429
193 2HH2 ARG 26 HH12 ARG 26 -12.211 -3.894 -7.576
194 H LYS 27 HN LYS 27 -6.781 -5.562 -2.162
195 HA LYS 27 HA LYS 27 -9.227 -6.809 -1.294
196 1HB LYS 27 HB2 LYS 27 -6.354 -7.608 -1.715
197 2HB LYS 27 HB1 LYS 27 -7.468 -8.752 -0.969
198 1HG LYS 27 HG2 LYS 27 -8.028 -9.323 -3.091
199 2HG LYS 27 HG1 LYS 27 -8.938 -7.812 -3.111
200 1HD LYS 27 HD2 LYS 27 -7.581 -7.621 -5.020
201 2HD LYS 27 HD1 LYS 27 -6.666 -6.730 -3.804
202 1HE LYS 27 HE2 LYS 27 -4.913 -8.126 -4.129
203 2HE LYS 27 HE1 LYS 27 -5.917 -9.492 -3.608
204 1HZ LYS 27 HZ1 LYS 27 -6.893 -9.511 -5.870
205 2HZ LYS 27 HZ2 LYS 27 -5.233 -9.874 -5.860
206 3HZ LYS 27 HZ3 LYS 27 -5.765 -8.335 -6.342
207 H THR 28 HN THR 28 -6.155 -6.074 0.396
208 HA THR 28 HA THR 28 -7.219 -7.053 2.973
209 HB THR 28 HB THR 28 -4.961 -6.460 3.757
210 HG1 THR 28 HG1 THR 28 -3.537 -5.448 2.342
211 1HG2 THR 28 HG21 THR 28 -5.456 -8.535 2.286
212 2HG2 THR 28 HG22 THR 28 -3.772 -8.066 2.517
213 3HG2 THR 28 HG23 THR 28 -4.603 -7.656 1.017
214 H ARG 29 HN ARG 29 -7.306 -4.124 1.200
215 HA ARG 29 HA ARG 29 -8.239 -2.036 1.740
216 1HB ARG 29 HB2 ARG 29 -9.426 -3.779 3.434
217 2HB ARG 29 HB1 ARG 29 -8.593 -2.754 4.603
218 1HG ARG 29 HG2 ARG 29 -10.001 -1.024 4.241
219 2HG ARG 29 HG1 ARG 29 -9.893 -1.202 2.490
220 1HD ARG 29 HD2 ARG 29 -11.963 -2.118 2.483
221 2HD ARG 29 HD1 ARG 29 -11.362 -3.445 3.497
222 HE ARG 29 HE ARG 29 -11.793 -1.936 5.477
223 1HH1 ARG 29 HH11 ARG 29 -12.340 0.582 3.951
224 2HH1 ARG 29 HH12 ARG 29 -14.071 0.641 3.950
225 1HH2 ARG 29 HH21 ARG 29 -14.448 -2.701 4.829
226 2HH2 ARG 29 HH22 ARG 29 -15.268 -1.223 4.449
227 H TRP 30 HN TRP 30 -5.301 -2.836 2.287
228 HA TRP 30 HA TRP 30 -4.513 -0.276 3.398
229 1HB TRP 30 HB2 TRP 30 -3.394 -1.214 5.429
230 2HB TRP 30 HB1 TRP 30 -5.145 -1.361 5.478
231 HD1 TRP 30 HD1 TRP 30 -2.341 -3.629 4.015
232 HE1 TRP 30 HE1 TRP 30 -2.779 -6.036 4.824
233 HE3 TRP 30 HE3 TRP 30 -6.514 -2.856 6.845
234 HZ2 TRP 30 HZ2 TRP 30 -4.654 -7.448 6.461
235 HZ3 TRP 30 HZ3 TRP 30 -7.604 -4.744 8.022
236 HH2 TRP 30 HH2 TRP 30 -6.681 -7.038 7.834
237 H CYS 31 HN CYS 31 -2.026 -0.265 3.767
238 HA CYS 31 HA CYS 31 -0.716 -1.140 1.365
239 1HB CYS 31 HB2 CYS 31 -0.226 0.796 3.021
240 2HB CYS 31 HB1 CYS 31 0.633 -0.416 3.969
241 H LYS 32 HN LYS 32 0.551 -2.957 0.966
242 HA LYS 32 HA LYS 32 1.096 -4.835 3.233
243 1HB LYS 32 HB2 LYS 32 -1.029 -5.345 1.926
244 2HB LYS 32 HB1 LYS 32 0.000 -5.637 0.523
245 1HG LYS 32 HG2 LYS 32 0.872 -7.583 1.391
246 2HG LYS 32 HG1 LYS 32 0.733 -7.026 3.059
247 1HD LYS 32 HD2 LYS 32 -1.892 -7.234 1.863
248 2HD LYS 32 HD1 LYS 32 -1.026 -8.761 1.694
249 1HE LYS 32 HE2 LYS 32 -0.707 -7.525 4.353
250 2HE LYS 32 HE1 LYS 32 -2.375 -7.992 3.972
251 1HZ LYS 32 HZ1 LYS 32 0.017 -9.728 3.632
252 2HZ LYS 32 HZ2 LYS 32 -1.589 -10.165 3.284
253 3HZ LYS 32 HZ3 LYS 32 -1.116 -9.861 4.887
254 H TYR 33 HN TYR 33 3.057 -5.924 3.023
255 HA TYR 33 HA TYR 33 5.145 -4.899 1.423
256 1HB TYR 33 HB2 TYR 33 6.269 -7.103 2.026
257 2HB TYR 33 HB1 TYR 33 5.609 -6.206 3.389
258 HD1 TYR 33 HD1 TYR 33 4.983 -9.066 1.083
259 HD2 TYR 33 HD2 TYR 33 3.854 -7.109 4.739
260 HE1 TYR 33 HE1 TYR 33 3.596 -11.024 1.708
261 HE2 TYR 33 HE2 TYR 33 2.467 -9.066 5.358
262 HH TYR 33 HH TYR 33 2.688 -11.823 4.496
263 H GLN 34 HN GLN 34 6.050 -5.522 -0.564
264 HA GLN 34 HA GLN 34 4.277 -6.624 -2.558
265 1HB GLN 34 HB2 GLN 34 6.185 -4.949 -2.815
266 2HB GLN 34 HB1 GLN 34 7.292 -6.317 -2.678
267 1HG GLN 34 HG2 GLN 34 6.726 -7.162 -4.738
268 2HG GLN 34 HG1 GLN 34 5.059 -6.595 -4.629
269 1HE2 GLN 34 HE21 GLN 34 8.401 -5.255 -4.950
270 2HE2 GLN 34 HE22 GLN 34 7.940 -3.961 -5.946
271 H ILE 35 HN ILE 35 4.093 -8.729 -3.285
272 HA ILE 35 HA ILE 35 5.919 -10.780 -2.063
273 HB ILE 35 HB ILE 35 3.949 -12.292 -2.260
274 1HG1 ILE 35 HG12 ILE 35 1.948 -10.229 -2.653
275 2HG1 ILE 35 HG11 ILE 35 3.025 -10.308 -4.046
276 1HG2 ILE 35 HG21 ILE 35 2.749 -11.389 -0.410
277 2HG2 ILE 35 HG22 ILE 35 3.141 -9.733 -0.871
278 3HG2 ILE 35 HG23 ILE 35 4.400 -10.794 -0.241
279 1HD1 ILE 35 HD11 ILE 35 2.477 -12.531 -4.514
280 2HD1 ILE 35 HD12 ILE 35 0.934 -11.889 -3.951
281 3HD1 ILE 35 HD13 ILE 35 1.938 -12.849 -2.865
Start of MODEL 17
1 1H GLU 1 HT1 GLU 1 5.364 11.426 5.021
2 2H GLU 1 HT2 GLU 1 6.708 10.408 5.225
3 3H GLU 1 HT3 GLU 1 6.343 11.579 6.399
4 HA GLU 1 HA GLU 1 5.661 9.390 7.176
5 1HB GLU 1 HB2 GLU 1 4.253 11.797 7.070
6 2HB GLU 1 HB1 GLU 1 3.048 10.592 6.619
7 1HG GLU 1 HG2 GLU 1 4.482 9.457 8.764
8 2HG GLU 1 HG1 GLU 1 4.188 11.134 9.223
9 H CYS 2 HN CYS 2 6.110 7.803 5.437
10 HA CYS 2 HA CYS 2 4.050 7.391 3.366
11 1HB CYS 2 HB2 CYS 2 5.611 5.792 2.516
12 2HB CYS 2 HB1 CYS 2 6.591 7.113 3.148
13 H LEU 3 HN LEU 3 3.052 5.187 3.136
14 HA LEU 3 HA LEU 3 2.079 4.221 5.772
15 1HB LEU 3 HB2 LEU 3 1.230 4.006 2.886
16 2HB LEU 3 HB1 LEU 3 0.539 2.925 4.095
17 HG LEU 3 HG LEU 3 0.565 5.941 4.377
18 1HD1 LEU 3 HD11 LEU 3 -1.781 5.880 3.683
19 2HD1 LEU 3 HD12 LEU 3 -1.688 4.135 3.449
20 3HD1 LEU 3 HD13 LEU 3 -0.765 5.215 2.404
21 1HD2 LEU 3 HD21 LEU 3 -1.513 4.974 5.860
22 2HD2 LEU 3 HD22 LEU 3 0.101 5.258 6.511
23 3HD2 LEU 3 HD23 LEU 3 -0.369 3.638 5.996
24 H GLU 4 HN GLU 4 2.885 2.361 6.638
25 HA GLU 4 HA GLU 4 4.876 0.760 5.235
26 1HB GLU 4 HB2 GLU 4 3.447 0.677 7.895
27 2HB GLU 4 HB1 GLU 4 4.546 -0.617 7.418
28 1HG GLU 4 HG2 GLU 4 6.291 1.168 6.973
29 2HG GLU 4 HG1 GLU 4 5.198 2.321 7.738
30 H ILE 5 HN ILE 5 4.373 -1.840 5.769
31 HA ILE 5 HA ILE 5 2.338 -2.567 3.830
32 HB ILE 5 HB ILE 5 4.644 -3.638 4.682
33 1HG1 ILE 5 HG12 ILE 5 3.106 -4.281 2.731
34 2HG1 ILE 5 HG11 ILE 5 4.107 -5.565 3.403
35 1HG2 ILE 5 HG21 ILE 5 2.533 -5.166 6.237
36 2HG2 ILE 5 HG22 ILE 5 3.799 -4.159 6.938
37 3HG2 ILE 5 HG23 ILE 5 4.226 -5.631 6.068
38 1HD1 ILE 5 HD11 ILE 5 1.278 -5.524 3.140
39 2HD1 ILE 5 HD12 ILE 5 1.634 -5.459 4.865
40 3HD1 ILE 5 HD13 ILE 5 2.273 -6.775 3.883
41 H PHE 6 HN PHE 6 0.372 -3.705 4.241
42 HA PHE 6 HA PHE 6 -1.619 -4.208 5.387
43 1HB PHE 6 HB2 PHE 6 0.558 -4.585 7.430
44 2HB PHE 6 HB1 PHE 6 -1.126 -4.749 7.918
45 HD1 PHE 6 HD1 PHE 6 1.528 -6.680 7.115
46 HD2 PHE 6 HD2 PHE 6 -2.489 -6.002 5.755
47 HE1 PHE 6 HE1 PHE 6 1.472 -8.960 6.142
48 HE2 PHE 6 HE2 PHE 6 -2.545 -8.281 4.782
49 HZ PHE 6 HZ PHE 6 -0.565 -9.760 4.975
50 H LYS 7 HN LYS 7 -0.827 -1.396 5.087
51 HA LYS 7 HA LYS 7 -2.055 -0.216 7.560
52 1HB LYS 7 HB2 LYS 7 -0.237 0.997 5.447
53 2HB LYS 7 HB1 LYS 7 -0.834 1.834 6.878
54 1HG LYS 7 HG2 LYS 7 0.900 -0.655 6.903
55 2HG LYS 7 HG1 LYS 7 1.466 0.982 7.221
56 1HD LYS 7 HD2 LYS 7 -0.784 -0.239 8.822
57 2HD LYS 7 HD1 LYS 7 0.904 -0.492 9.265
58 1HE LYS 7 HE2 LYS 7 -0.179 2.293 8.787
59 2HE LYS 7 HE1 LYS 7 -0.295 1.512 10.376
60 1HZ LYS 7 HZ1 LYS 7 1.771 2.603 10.380
61 2HZ LYS 7 HZ2 LYS 7 2.148 2.098 8.803
62 3HZ LYS 7 HZ3 LYS 7 2.147 0.977 10.080
63 H ALA 8 HN ALA 8 -4.017 0.779 7.291
64 HA ALA 8 HA ALA 8 -5.659 0.537 5.040
65 1HB ALA 8 HB1 ALA 8 -6.349 1.191 7.330
66 2HB ALA 8 HB2 ALA 8 -6.987 2.314 6.130
67 3HB ALA 8 HB3 ALA 8 -5.587 2.765 7.104
68 H CYS 9 HN CYS 9 -5.500 1.403 3.018
69 HA CYS 9 HA CYS 9 -4.356 4.153 2.705
70 1HB CYS 9 HB2 CYS 9 -2.989 3.330 0.851
71 2HB CYS 9 HB1 CYS 9 -2.651 2.364 2.286
72 H ASN 10 HN ASN 10 -5.011 5.160 0.627
73 HA ASN 10 HA ASN 10 -7.701 4.195 -0.248
74 1HB ASN 10 HB2 ASN 10 -6.497 6.714 0.434
75 2HB ASN 10 HB1 ASN 10 -7.041 6.789 -1.241
76 1HD2 ASN 10 HD21 ASN 10 -9.251 7.198 -1.541
77 2HD2 ASN 10 HD22 ASN 10 -10.435 7.029 -0.337
78 HA PRO 11 HA PRO 11 -6.137 3.145 -4.236
79 1HB PRO 11 HB2 PRO 11 -8.370 3.589 -5.762
80 2HB PRO 11 HB1 PRO 11 -8.199 2.196 -4.675
81 1HG PRO 11 HG2 PRO 11 -9.668 4.752 -4.257
82 2HG PRO 11 HG1 PRO 11 -10.122 3.102 -3.804
83 1HD PRO 11 HD2 PRO 11 -9.113 4.905 -2.037
84 2HD PRO 11 HD1 PRO 11 -8.888 3.150 -1.872
85 H SER 12 HN SER 12 -7.981 6.199 -4.004
86 HA SER 12 HA SER 12 -6.782 7.376 -6.389
87 1HB SER 12 HB2 SER 12 -7.951 9.410 -5.489
88 2HB SER 12 HB1 SER 12 -9.002 8.003 -5.598
89 HG SER 12 HG SER 12 -9.087 9.182 -3.567
90 H ASN 13 HN ASN 13 -6.054 7.370 -2.921
91 HA ASN 13 HA ASN 13 -3.698 9.145 -3.459
92 1HB ASN 13 HB2 ASN 13 -5.735 9.756 -1.889
93 2HB ASN 13 HB1 ASN 13 -4.912 8.695 -0.745
94 1HD2 ASN 13 HD21 ASN 13 -4.115 10.325 0.691
95 2HD2 ASN 13 HD22 ASN 13 -3.002 11.514 0.213
96 H ASP 14 HN ASP 14 -2.379 7.289 -4.029
97 HA ASP 14 HA ASP 14 -1.981 5.096 -2.106
98 1HB ASP 14 HB2 ASP 14 -1.886 5.128 -4.714
99 2HB ASP 14 HB1 ASP 14 -0.268 5.792 -4.498
100 H GLN 15 HN GLN 15 -0.962 5.843 -0.207
101 HA GLN 15 HA GLN 15 1.494 7.534 -0.535
102 1HB GLN 15 HB2 GLN 15 -0.421 7.062 1.768
103 2HB GLN 15 HB1 GLN 15 1.040 8.040 1.895
104 1HG GLN 15 HG2 GLN 15 0.233 9.646 0.343
105 2HG GLN 15 HG1 GLN 15 -1.050 8.575 -0.219
106 1HE2 GLN 15 HE21 GLN 15 -2.607 7.866 1.717
107 2HE2 GLN 15 HE22 GLN 15 -3.063 9.119 2.767
108 H CYS 16 HN CYS 16 1.166 4.428 -0.661
109 HA CYS 16 HA CYS 16 2.390 3.279 1.663
110 1HB CYS 16 HB2 CYS 16 2.026 2.559 -1.230
111 2HB CYS 16 HB1 CYS 16 3.073 1.554 -0.227
112 H CYS 17 HN CYS 17 4.601 2.714 2.033
113 HA CYS 17 HA CYS 17 6.572 4.651 1.223
114 1HB CYS 17 HB2 CYS 17 6.240 2.615 3.132
115 2HB CYS 17 HB1 CYS 17 7.635 2.112 2.181
116 H LYS 18 HN LYS 18 7.372 4.739 -0.850
117 HA LYS 18 HA LYS 18 7.357 2.474 -2.668
118 1HB LYS 18 HB2 LYS 18 7.401 5.163 -2.931
119 2HB LYS 18 HB1 LYS 18 9.121 4.833 -3.136
120 1HG LYS 18 HG2 LYS 18 7.213 3.086 -4.624
121 2HG LYS 18 HG1 LYS 18 7.404 4.742 -5.198
122 1HD LYS 18 HD2 LYS 18 9.878 4.399 -5.248
123 2HD LYS 18 HD1 LYS 18 9.623 2.713 -4.796
124 1HE LYS 18 HE2 LYS 18 8.136 3.796 -7.174
125 2HE LYS 18 HE1 LYS 18 9.846 3.359 -7.354
126 1HZ LYS 18 HZ1 LYS 18 8.454 1.431 -7.750
127 2HZ LYS 18 HZ2 LYS 18 7.704 1.621 -6.238
128 3HZ LYS 18 HZ3 LYS 18 9.350 1.208 -6.328
129 H SER 19 HN SER 19 9.776 3.922 -0.516
130 HA SER 19 HA SER 19 12.120 2.662 -1.559
131 1HB SER 19 HB2 SER 19 12.042 4.526 0.080
132 2HB SER 19 HB1 SER 19 11.381 3.427 1.287
133 HG SER 19 HG SER 19 13.314 2.660 1.604
134 H SER 20 HN SER 20 9.594 1.472 0.648
135 HA SER 20 HA SER 20 11.088 -1.058 1.111
136 1HB SER 20 HB2 SER 20 9.841 0.293 2.884
137 2HB SER 20 HB1 SER 20 8.350 -0.217 2.099
138 HG SER 20 HG SER 20 8.721 -1.755 3.596
139 H LYS 21 HN LYS 21 9.614 -0.122 -1.529
140 HA LYS 21 HA LYS 21 8.369 -1.152 -3.237
141 1HB LYS 21 HB2 LYS 21 10.072 -3.017 -1.932
142 2HB LYS 21 HB1 LYS 21 8.562 -3.863 -2.267
143 1HG LYS 21 HG2 LYS 21 9.781 -4.176 -4.250
144 2HG LYS 21 HG1 LYS 21 8.759 -2.792 -4.637
145 1HD LYS 21 HD2 LYS 21 11.220 -1.932 -3.355
146 2HD LYS 21 HD1 LYS 21 11.563 -2.900 -4.789
147 1HE LYS 21 HE2 LYS 21 9.414 -0.838 -5.045
148 2HE LYS 21 HE1 LYS 21 11.090 -0.261 -4.967
149 1HZ LYS 21 HZ1 LYS 21 10.373 -0.844 -7.249
150 2HZ LYS 21 HZ2 LYS 21 10.150 -2.450 -6.746
151 3HZ LYS 21 HZ3 LYS 21 11.700 -1.757 -6.720
152 H LEU 22 HN LEU 22 6.741 -0.126 -1.187
153 HA LEU 22 HA LEU 22 4.685 -2.260 -0.726
154 1HB LEU 22 HB2 LEU 22 5.300 0.394 0.611
155 2HB LEU 22 HB1 LEU 22 3.906 -0.602 1.025
156 HG LEU 22 HG LEU 22 6.793 -1.525 1.161
157 1HD1 LEU 22 HD11 LEU 22 4.858 -0.530 3.261
158 2HD1 LEU 22 HD12 LEU 22 6.487 0.054 2.920
159 3HD1 LEU 22 HD13 LEU 22 6.255 -1.527 3.667
160 1HD2 LEU 22 HD21 LEU 22 5.521 -3.470 0.847
161 2HD2 LEU 22 HD22 LEU 22 4.127 -2.813 1.705
162 3HD2 LEU 22 HD23 LEU 22 5.552 -3.333 2.605
163 H VAL 23 HN VAL 23 2.561 -1.917 -1.464
164 HA VAL 23 HA VAL 23 1.989 0.640 -2.929
165 HB VAL 23 HB VAL 23 1.245 -2.113 -3.943
166 1HG1 VAL 23 HG11 VAL 23 1.365 -0.734 -6.138
167 2HG1 VAL 23 HG12 VAL 23 1.331 0.674 -5.076
168 3HG1 VAL 23 HG13 VAL 23 -0.009 -0.473 -5.064
169 1HG2 VAL 23 HG21 VAL 23 3.783 -0.530 -4.431
170 2HG2 VAL 23 HG22 VAL 23 3.226 -1.798 -5.522
171 3HG2 VAL 23 HG23 VAL 23 3.646 -2.192 -3.856
172 H CYS 24 HN CYS 24 -0.373 0.993 -3.199
173 HA CYS 24 HA CYS 24 -1.902 -0.046 -0.882
174 1HB CYS 24 HB2 CYS 24 -1.854 2.369 -1.469
175 2HB CYS 24 HB1 CYS 24 -2.577 1.992 -3.034
176 H SER 25 HN SER 25 -3.003 -1.939 -1.176
177 HA SER 25 HA SER 25 -3.957 -2.671 -3.904
178 1HB SER 25 HB2 SER 25 -3.058 -4.030 -1.456
179 2HB SER 25 HB1 SER 25 -4.493 -4.764 -2.169
180 HG SER 25 HG SER 25 -1.977 -4.960 -2.968
181 H ARG 26 HN ARG 26 -6.091 -2.451 -4.405
182 HA ARG 26 HA ARG 26 -8.016 -1.390 -2.503
183 1HB ARG 26 HB2 ARG 26 -7.913 -2.235 -5.372
184 2HB ARG 26 HB1 ARG 26 -9.501 -2.062 -4.627
185 1HG ARG 26 HG2 ARG 26 -8.816 0.234 -3.861
186 2HG ARG 26 HG1 ARG 26 -7.338 0.052 -4.807
187 1HD ARG 26 HD2 ARG 26 -9.683 -0.640 -6.396
188 2HD ARG 26 HD1 ARG 26 -9.787 1.017 -5.767
189 HE ARG 26 HE ARG 26 -7.748 1.555 -6.928
190 1HH1 ARG 26 HH11 ARG 26 -9.259 -0.424 -8.841
191 2HH1 ARG 26 HH12 ARG 26 -7.916 -1.358 -9.409
192 1HH2 ARG 26 HH21 ARG 26 -5.745 -0.226 -6.943
193 2HH2 ARG 26 HH22 ARG 26 -5.921 -1.246 -8.332
194 H LYS 27 HN LYS 27 -7.356 -4.608 -3.855
195 HA LYS 27 HA LYS 27 -9.752 -5.927 -2.994
196 1HB LYS 27 HB2 LYS 27 -7.763 -6.587 -4.583
197 2HB LYS 27 HB1 LYS 27 -7.043 -7.238 -3.111
198 1HG LYS 27 HG2 LYS 27 -8.423 -9.022 -3.128
199 2HG LYS 27 HG1 LYS 27 -9.843 -8.000 -3.348
200 1HD LYS 27 HD2 LYS 27 -8.258 -8.053 -5.772
201 2HD LYS 27 HD1 LYS 27 -8.663 -9.693 -5.266
202 1HE LYS 27 HE2 LYS 27 -11.012 -8.132 -4.888
203 2HE LYS 27 HE1 LYS 27 -10.384 -7.745 -6.502
204 1HZ LYS 27 HZ1 LYS 27 -10.152 -10.108 -6.949
205 2HZ LYS 27 HZ2 LYS 27 -11.763 -9.744 -6.549
206 3HZ LYS 27 HZ3 LYS 27 -10.749 -10.486 -5.406
207 H THR 28 HN THR 28 -6.663 -5.285 -1.354
208 HA THR 28 HA THR 28 -7.550 -6.759 1.070
209 HB THR 28 HB THR 28 -5.256 -6.524 1.745
210 HG1 THR 28 HG1 THR 28 -5.182 -4.509 -0.236
211 1HG2 THR 28 HG21 THR 28 -4.656 -6.707 -1.134
212 2HG2 THR 28 HG22 THR 28 -5.959 -7.763 -0.588
213 3HG2 THR 28 HG23 THR 28 -4.364 -7.874 0.156
214 H ARG 29 HN ARG 29 -7.570 -3.548 -0.175
215 HA ARG 29 HA ARG 29 -8.375 -1.549 0.751
216 1HB ARG 29 HB2 ARG 29 -10.015 -1.990 2.227
217 2HB ARG 29 HB1 ARG 29 -9.421 -3.642 2.331
218 1HG ARG 29 HG2 ARG 29 -7.823 -2.886 4.122
219 2HG ARG 29 HG1 ARG 29 -8.602 -1.304 4.079
220 1HD ARG 29 HD2 ARG 29 -9.862 -2.290 5.761
221 2HD ARG 29 HD1 ARG 29 -10.806 -2.831 4.360
222 HE ARG 29 HE ARG 29 -8.558 -4.592 5.033
223 1HH1 ARG 29 HH21 ARG 29 -10.368 -4.476 7.447
224 2HH1 ARG 29 HH22 ARG 29 -11.478 -5.764 7.116
225 1HH2 ARG 29 HH11 ARG 29 -10.634 -5.977 3.751
226 2HH2 ARG 29 HH12 ARG 29 -11.628 -6.617 5.017
227 H TRP 30 HN TRP 30 -5.585 -3.150 1.800
228 HA TRP 30 HA TRP 30 -4.650 -0.650 3.147
229 1HB TRP 30 HB2 TRP 30 -3.407 -2.140 4.745
230 2HB TRP 30 HB1 TRP 30 -5.155 -2.272 4.880
231 HD1 TRP 30 HD1 TRP 30 -2.590 -4.053 2.560
232 HE1 TRP 30 HE1 TRP 30 -3.033 -6.587 2.694
233 HE3 TRP 30 HE3 TRP 30 -6.405 -4.101 5.948
234 HZ2 TRP 30 HZ2 TRP 30 -4.776 -8.397 4.058
235 HZ3 TRP 30 HZ3 TRP 30 -7.436 -6.241 6.650
236 HH2 TRP 30 HH2 TRP 30 -6.628 -8.388 5.711
237 H CYS 31 HN CYS 31 -2.052 -1.089 3.481
238 HA CYS 31 HA CYS 31 -0.956 -1.081 0.794
239 1HB CYS 31 HB2 CYS 31 -0.278 0.177 2.975
240 2HB CYS 31 HB1 CYS 31 0.615 -1.295 3.356
241 H LYS 32 HN LYS 32 0.271 -2.663 -0.227
242 HA LYS 32 HA LYS 32 0.724 -5.252 1.216
243 1HB LYS 32 HB2 LYS 32 -1.324 -5.355 -0.151
244 2HB LYS 32 HB1 LYS 32 -0.427 -4.781 -1.557
245 1HG LYS 32 HG2 LYS 32 0.628 -6.798 -1.885
246 2HG LYS 32 HG1 LYS 32 0.643 -7.190 -0.165
247 1HD LYS 32 HD2 LYS 32 -1.286 -8.345 -0.329
248 2HD LYS 32 HD1 LYS 32 -2.078 -7.019 -1.180
249 1HE LYS 32 HE2 LYS 32 -2.090 -8.762 -2.782
250 2HE LYS 32 HE1 LYS 32 -0.651 -7.829 -3.237
251 1HZ LYS 32 HZ1 LYS 32 -0.616 -10.121 -1.343
252 2HZ LYS 32 HZ2 LYS 32 0.727 -9.286 -1.964
253 3HZ LYS 32 HZ3 LYS 32 -0.224 -10.250 -2.988
254 H TYR 33 HN TYR 33 2.667 -6.276 0.636
255 HA TYR 33 HA TYR 33 4.802 -4.726 -0.455
256 1HB TYR 33 HB2 TYR 33 6.070 -6.732 -0.150
257 2HB TYR 33 HB1 TYR 33 4.827 -6.772 1.098
258 HD1 TYR 33 HD1 TYR 33 2.773 -8.200 0.766
259 HD2 TYR 33 HD2 TYR 33 6.147 -8.371 -1.888
260 HE1 TYR 33 HE1 TYR 33 1.963 -10.366 -0.125
261 HE2 TYR 33 HE2 TYR 33 5.335 -10.537 -2.778
262 HH TYR 33 HH TYR 33 2.592 -11.611 -2.772
263 H GLN 34 HN GLN 34 5.808 -4.789 -2.514
264 HA GLN 34 HA GLN 34 4.115 -5.144 -4.809
265 1HB GLN 34 HB2 GLN 34 6.102 -3.616 -4.536
266 2HB GLN 34 HB1 GLN 34 7.144 -5.035 -4.643
267 1HG GLN 34 HG2 GLN 34 5.915 -5.531 -6.866
268 2HG GLN 34 HG1 GLN 34 5.352 -3.862 -6.771
269 1HE2 GLN 34 HE21 GLN 34 6.777 -2.274 -7.538
270 2HE2 GLN 34 HE22 GLN 34 8.418 -2.540 -7.878
271 H ILE 35 HN ILE 35 4.073 -6.816 -6.357
272 HA ILE 35 HA ILE 35 4.859 -9.485 -5.422
273 HB ILE 35 HB ILE 35 3.617 -8.467 -8.005
274 1HG1 ILE 35 HG12 ILE 35 1.905 -9.970 -6.192
275 2HG1 ILE 35 HG11 ILE 35 2.576 -8.549 -5.393
276 1HG2 ILE 35 HG21 ILE 35 4.055 -11.236 -6.881
277 2HG2 ILE 35 HG22 ILE 35 4.462 -10.629 -8.486
278 3HG2 ILE 35 HG23 ILE 35 2.776 -10.907 -8.050
279 1HD1 ILE 35 HD11 ILE 35 0.793 -8.702 -7.800
280 2HD1 ILE 35 HD12 ILE 35 1.907 -7.343 -7.645
281 3HD1 ILE 35 HD13 ILE 35 0.691 -7.633 -6.400
Start of MODEL 18
1 1H GLU 1 HT1 GLU 1 4.212 12.452 4.345
2 2H GLU 1 HT2 GLU 1 2.842 11.648 3.739
3 3H GLU 1 HT3 GLU 1 4.320 11.564 2.904
4 HA GLU 1 HA GLU 1 5.316 10.349 4.777
5 1HB GLU 1 HB2 GLU 1 2.893 11.401 5.945
6 2HB GLU 1 HB1 GLU 1 2.926 9.650 6.149
7 1HG GLU 1 HG2 GLU 1 5.344 11.347 6.769
8 2HG GLU 1 HG1 GLU 1 4.082 11.071 7.970
9 H CYS 2 HN CYS 2 5.538 8.231 4.116
10 HA CYS 2 HA CYS 2 3.505 7.121 2.276
11 1HB CYS 2 HB2 CYS 2 5.257 5.586 1.686
12 2HB CYS 2 HB1 CYS 2 6.019 7.160 1.890
13 H LEU 3 HN LEU 3 2.976 4.716 2.566
14 HA LEU 3 HA LEU 3 2.322 4.197 5.441
15 1HB LEU 3 HB2 LEU 3 1.130 3.143 2.851
16 2HB LEU 3 HB1 LEU 3 0.515 2.805 4.468
17 HG LEU 3 HG LEU 3 0.782 5.607 3.341
18 1HD1 LEU 3 HD11 LEU 3 -1.656 5.501 2.976
19 2HD1 LEU 3 HD12 LEU 3 -1.660 3.811 3.480
20 3HD1 LEU 3 HD13 LEU 3 -0.821 4.288 2.004
21 1HD2 LEU 3 HD21 LEU 3 -0.908 6.030 5.204
22 2HD2 LEU 3 HD22 LEU 3 0.718 5.614 5.744
23 3HD2 LEU 3 HD23 LEU 3 -0.559 4.399 5.777
24 H GLU 4 HN GLU 4 3.192 2.413 6.425
25 HA GLU 4 HA GLU 4 5.291 0.872 5.214
26 1HB GLU 4 HB2 GLU 4 3.582 0.542 7.700
27 2HB GLU 4 HB1 GLU 4 4.972 -0.484 7.347
28 1HG GLU 4 HG2 GLU 4 5.969 2.078 6.958
29 2HG GLU 4 HG1 GLU 4 4.901 2.267 8.349
30 H ILE 5 HN ILE 5 4.917 -1.757 5.704
31 HA ILE 5 HA ILE 5 3.055 -2.584 3.603
32 HB ILE 5 HB ILE 5 5.410 -3.454 4.158
33 1HG1 ILE 5 HG12 ILE 5 3.569 -4.540 2.676
34 2HG1 ILE 5 HG11 ILE 5 4.936 -5.533 3.172
35 1HG2 ILE 5 HG21 ILE 5 3.846 -4.959 6.277
36 2HG2 ILE 5 HG22 ILE 5 5.088 -3.744 6.575
37 3HG2 ILE 5 HG23 ILE 5 5.519 -5.278 5.819
38 1HD1 ILE 5 HD11 ILE 5 3.613 -6.927 4.363
39 2HD1 ILE 5 HD12 ILE 5 2.255 -6.165 3.537
40 3HD1 ILE 5 HD13 ILE 5 2.756 -5.588 5.125
41 H PHE 6 HN PHE 6 1.203 -3.895 3.899
42 HA PHE 6 HA PHE 6 -0.717 -4.706 4.978
43 1HB PHE 6 HB2 PHE 6 0.392 -6.309 6.172
44 2HB PHE 6 HB1 PHE 6 1.616 -5.184 6.738
45 HD1 PHE 6 HD1 PHE 6 -1.810 -6.472 7.336
46 HD2 PHE 6 HD2 PHE 6 1.425 -4.094 8.863
47 HE1 PHE 6 HE1 PHE 6 -2.916 -6.386 9.551
48 HE2 PHE 6 HE2 PHE 6 0.321 -4.007 11.076
49 HZ PHE 6 HZ PHE 6 -1.853 -5.154 11.424
50 H LYS 7 HN LYS 7 0.329 -1.712 5.304
51 HA LYS 7 HA LYS 7 -1.248 -0.894 7.684
52 1HB LYS 7 HB2 LYS 7 1.019 0.027 7.199
53 2HB LYS 7 HB1 LYS 7 0.404 0.684 5.682
54 1HG LYS 7 HG2 LYS 7 -0.978 2.244 6.768
55 2HG LYS 7 HG1 LYS 7 -0.950 1.351 8.288
56 1HD LYS 7 HD2 LYS 7 1.741 2.059 7.545
57 2HD LYS 7 HD1 LYS 7 0.728 3.502 7.528
58 1HE LYS 7 HE2 LYS 7 -0.159 2.506 9.832
59 2HE LYS 7 HE1 LYS 7 1.426 1.708 9.827
60 1HZ LYS 7 HZ1 LYS 7 2.165 4.104 9.035
61 2HZ LYS 7 HZ2 LYS 7 2.037 3.712 10.683
62 3HZ LYS 7 HZ3 LYS 7 0.786 4.564 9.911
63 H ALA 8 HN ALA 8 -3.211 0.176 7.507
64 HA ALA 8 HA ALA 8 -4.929 -0.129 5.309
65 1HB ALA 8 HB1 ALA 8 -4.734 1.713 7.669
66 2HB ALA 8 HB2 ALA 8 -5.940 0.474 7.318
67 3HB ALA 8 HB3 ALA 8 -5.988 2.017 6.466
68 H CYS 9 HN CYS 9 -4.792 0.720 3.272
69 HA CYS 9 HA CYS 9 -3.652 3.480 2.945
70 1HB CYS 9 HB2 CYS 9 -2.502 2.650 0.954
71 2HB CYS 9 HB1 CYS 9 -2.086 1.624 2.327
72 H ASN 10 HN ASN 10 -4.218 4.228 0.550
73 HA ASN 10 HA ASN 10 -7.114 3.596 0.057
74 1HB ASN 10 HB2 ASN 10 -5.450 6.114 -0.093
75 2HB ASN 10 HB1 ASN 10 -7.010 6.000 -0.907
76 1HD2 ASN 10 HD21 ASN 10 -5.584 6.887 2.021
77 2HD2 ASN 10 HD22 ASN 10 -6.953 6.768 3.018
78 HA PRO 11 HA PRO 11 -5.826 2.291 -3.969
79 1HB PRO 11 HB2 PRO 11 -8.219 2.537 -5.282
80 2HB PRO 11 HB1 PRO 11 -7.870 1.221 -4.144
81 1HG PRO 11 HG2 PRO 11 -9.429 3.721 -3.723
82 2HG PRO 11 HG1 PRO 11 -9.739 2.084 -3.129
83 1HD PRO 11 HD2 PRO 11 -8.658 4.056 -1.591
84 2HD PRO 11 HD1 PRO 11 -8.336 2.326 -1.334
85 H SER 12 HN SER 12 -8.026 5.137 -3.950
86 HA SER 12 HA SER 12 -6.935 6.276 -6.387
87 1HB SER 12 HB2 SER 12 -8.705 7.209 -4.123
88 2HB SER 12 HB1 SER 12 -8.225 8.313 -5.408
89 HG SER 12 HG SER 12 -9.886 6.072 -5.471
90 H ASN 13 HN ASN 13 -6.407 6.826 -2.901
91 HA ASN 13 HA ASN 13 -4.229 8.771 -3.518
92 1HB ASN 13 HB2 ASN 13 -5.726 7.976 -0.995
93 2HB ASN 13 HB1 ASN 13 -4.424 9.165 -1.027
94 1HD2 ASN 13 HD21 ASN 13 -4.870 11.257 -1.977
95 2HD2 ASN 13 HD22 ASN 13 -6.437 11.727 -2.430
96 H ASP 14 HN ASP 14 -3.167 6.560 -4.342
97 HA ASP 14 HA ASP 14 -2.206 4.642 -2.428
98 1HB ASP 14 HB2 ASP 14 -2.364 4.645 -5.042
99 2HB ASP 14 HB1 ASP 14 -0.778 5.412 -4.972
100 H GLN 15 HN GLN 15 -0.938 5.267 -0.717
101 HA GLN 15 HA GLN 15 1.394 7.071 -1.286
102 1HB GLN 15 HB2 GLN 15 -0.749 7.094 0.811
103 2HB GLN 15 HB1 GLN 15 0.863 7.640 1.273
104 1HG GLN 15 HG2 GLN 15 0.335 8.842 -1.228
105 2HG GLN 15 HG1 GLN 15 -1.142 9.027 -0.282
106 1HE2 GLN 15 HE21 GLN 15 2.371 9.711 -0.233
107 2HE2 GLN 15 HE22 GLN 15 2.275 10.941 0.932
108 H CYS 16 HN CYS 16 1.561 4.227 -1.400
109 HA CYS 16 HA CYS 16 2.440 3.137 1.166
110 1HB CYS 16 HB2 CYS 16 2.285 2.300 -1.704
111 2HB CYS 16 HB1 CYS 16 3.339 1.378 -0.632
112 H CYS 17 HN CYS 17 4.648 2.563 1.701
113 HA CYS 17 HA CYS 17 6.633 4.544 0.963
114 1HB CYS 17 HB2 CYS 17 6.896 1.873 2.387
115 2HB CYS 17 HB1 CYS 17 8.070 3.185 2.439
116 H LYS 18 HN LYS 18 7.844 4.517 -0.876
117 HA LYS 18 HA LYS 18 7.910 2.202 -2.654
118 1HB LYS 18 HB2 LYS 18 8.002 4.841 -3.028
119 2HB LYS 18 HB1 LYS 18 9.740 4.558 -2.924
120 1HG LYS 18 HG2 LYS 18 9.163 2.571 -4.597
121 2HG LYS 18 HG1 LYS 18 7.781 3.601 -4.973
122 1HD LYS 18 HD2 LYS 18 9.936 5.373 -4.904
123 2HD LYS 18 HD1 LYS 18 10.588 3.938 -5.697
124 1HE LYS 18 HE2 LYS 18 9.652 5.006 -7.541
125 2HE LYS 18 HE1 LYS 18 8.243 4.070 -7.007
126 1HZ LYS 18 HZ1 LYS 18 7.699 6.428 -7.268
127 2HZ LYS 18 HZ2 LYS 18 8.898 6.841 -6.138
128 3HZ LYS 18 HZ3 LYS 18 7.542 5.939 -5.652
129 H SER 19 HN SER 19 9.862 3.265 0.003
130 HA SER 19 HA SER 19 12.446 2.333 -0.751
131 1HB SER 19 HB2 SER 19 11.654 3.721 1.261
132 2HB SER 19 HB1 SER 19 11.215 2.189 2.011
133 HG SER 19 HG SER 19 13.486 3.221 2.223
134 H SER 20 HN SER 20 9.678 0.600 0.710
135 HA SER 20 HA SER 20 11.226 -1.955 0.569
136 1HB SER 20 HB2 SER 20 9.540 -0.762 2.470
137 2HB SER 20 HB1 SER 20 8.572 -2.055 1.769
138 HG SER 20 HG SER 20 9.703 -3.246 3.093
139 H LYS 21 HN LYS 21 9.806 -0.480 -1.759
140 HA LYS 21 HA LYS 21 8.436 -1.038 -3.600
141 1HB LYS 21 HB2 LYS 21 9.219 -3.812 -2.632
142 2HB LYS 21 HB1 LYS 21 8.700 -3.395 -4.264
143 1HG LYS 21 HG2 LYS 21 10.841 -2.937 -4.784
144 2HG LYS 21 HG1 LYS 21 10.802 -1.609 -3.625
145 1HD LYS 21 HD2 LYS 21 12.562 -2.892 -2.790
146 2HD LYS 21 HD1 LYS 21 11.203 -3.516 -1.856
147 1HE LYS 21 HE2 LYS 21 10.954 -5.398 -3.429
148 2HE LYS 21 HE1 LYS 21 12.295 -4.767 -4.405
149 1HZ LYS 21 HZ1 LYS 21 12.511 -5.382 -1.506
150 2HZ LYS 21 HZ2 LYS 21 13.774 -4.971 -2.567
151 3HZ LYS 21 HZ3 LYS 21 12.975 -6.461 -2.729
152 H LEU 22 HN LEU 22 6.717 -0.310 -1.745
153 HA LEU 22 HA LEU 22 4.785 -2.564 -1.311
154 1HB LEU 22 HB2 LEU 22 5.114 0.135 0.044
155 2HB LEU 22 HB1 LEU 22 3.944 -1.099 0.505
156 HG LEU 22 HG LEU 22 6.934 -1.572 0.449
157 1HD1 LEU 22 HD11 LEU 22 5.173 -0.324 2.469
158 2HD1 LEU 22 HD12 LEU 22 6.923 -0.212 2.276
159 3HD1 LEU 22 HD13 LEU 22 6.213 -1.609 3.085
160 1HD2 LEU 22 HD21 LEU 22 4.512 -3.140 1.318
161 2HD2 LEU 22 HD22 LEU 22 6.079 -3.443 2.070
162 3HD2 LEU 22 HD23 LEU 22 5.876 -3.667 0.333
163 H VAL 23 HN VAL 23 2.608 -2.281 -1.944
164 HA VAL 23 HA VAL 23 1.879 0.240 -3.377
165 HB VAL 23 HB VAL 23 0.874 -1.299 -5.164
166 1HG1 VAL 23 HG11 VAL 23 3.059 -0.017 -5.351
167 2HG1 VAL 23 HG12 VAL 23 2.939 -1.447 -6.377
168 3HG1 VAL 23 HG13 VAL 23 3.882 -1.507 -4.888
169 1HG2 VAL 23 HG21 VAL 23 2.803 -3.338 -4.033
170 2HG2 VAL 23 HG22 VAL 23 1.595 -3.568 -5.296
171 3HG2 VAL 23 HG23 VAL 23 1.088 -3.347 -3.622
172 H CYS 24 HN CYS 24 -0.261 0.831 -2.976
173 HA CYS 24 HA CYS 24 -1.736 -0.472 -0.879
174 1HB CYS 24 HB2 CYS 24 -1.826 1.950 -1.544
175 2HB CYS 24 HB1 CYS 24 -2.705 1.473 -2.995
176 H SER 25 HN SER 25 -3.017 -2.251 -1.015
177 HA SER 25 HA SER 25 -4.064 -3.058 -3.711
178 1HB SER 25 HB2 SER 25 -2.351 -4.504 -2.560
179 2HB SER 25 HB1 SER 25 -3.507 -4.748 -1.255
180 HG SER 25 HG SER 25 -3.458 -5.764 -3.830
181 H ARG 26 HN ARG 26 -6.271 -3.387 -3.903
182 HA ARG 26 HA ARG 26 -8.012 -2.462 -1.730
183 1HB ARG 26 HB2 ARG 26 -8.301 -1.941 -4.165
184 2HB ARG 26 HB1 ARG 26 -8.645 -3.647 -4.452
185 1HG ARG 26 HG2 ARG 26 -10.761 -2.497 -4.241
186 2HG ARG 26 HG1 ARG 26 -10.532 -3.473 -2.792
187 1HD ARG 26 HD2 ARG 26 -10.580 -1.634 -1.468
188 2HD ARG 26 HD1 ARG 26 -9.365 -0.816 -2.468
189 HE ARG 26 HE ARG 26 -11.546 -0.646 -4.078
190 1HH1 ARG 26 HH21 ARG 26 -10.450 1.173 -1.580
191 2HH1 ARG 26 HH22 ARG 26 -11.980 1.824 -1.098
192 1HH2 ARG 26 HH11 ARG 26 -13.831 -0.351 -3.075
193 2HH2 ARG 26 HH12 ARG 26 -13.896 0.958 -1.943
194 H LYS 27 HN LYS 27 -7.150 -5.586 -3.194
195 HA LYS 27 HA LYS 27 -9.284 -7.151 -2.096
196 1HB LYS 27 HB2 LYS 27 -7.819 -9.033 -2.641
197 2HB LYS 27 HB1 LYS 27 -7.716 -7.822 -3.916
198 1HG LYS 27 HG2 LYS 27 -5.701 -6.929 -2.419
199 2HG LYS 27 HG1 LYS 27 -5.676 -8.606 -1.874
200 1HD LYS 27 HD2 LYS 27 -5.830 -8.028 -4.815
201 2HD LYS 27 HD1 LYS 27 -4.276 -7.894 -3.993
202 1HE LYS 27 HE2 LYS 27 -4.132 -10.168 -3.608
203 2HE LYS 27 HE1 LYS 27 -5.889 -10.354 -3.447
204 1HZ LYS 27 HZ1 LYS 27 -6.152 -10.019 -5.795
205 2HZ LYS 27 HZ2 LYS 27 -5.017 -11.261 -5.559
206 3HZ LYS 27 HZ3 LYS 27 -4.497 -9.703 -5.993
207 H THR 28 HN THR 28 -6.188 -6.094 -0.702
208 HA THR 28 HA THR 28 -6.763 -7.637 1.788
209 HB THR 28 HB THR 28 -4.390 -6.698 2.298
210 HG1 THR 28 HG1 THR 28 -3.433 -5.643 0.752
211 1HG2 THR 28 HG21 THR 28 -3.372 -8.522 1.119
212 2HG2 THR 28 HG22 THR 28 -4.655 -8.533 -0.090
213 3HG2 THR 28 HG23 THR 28 -4.998 -9.043 1.563
214 H ARG 29 HN ARG 29 -7.210 -4.510 0.492
215 HA ARG 29 HA ARG 29 -8.075 -2.550 1.456
216 1HB ARG 29 HB2 ARG 29 -8.803 -4.654 3.133
217 2HB ARG 29 HB1 ARG 29 -8.079 -3.473 4.225
218 1HG ARG 29 HG2 ARG 29 -9.533 -1.712 3.161
219 2HG ARG 29 HG1 ARG 29 -10.348 -3.001 2.275
220 1HD ARG 29 HD2 ARG 29 -10.349 -3.922 4.910
221 2HD ARG 29 HD1 ARG 29 -10.694 -2.188 5.059
222 HE ARG 29 HE ARG 29 -12.271 -4.092 3.379
223 1HH1 ARG 29 HH11 ARG 29 -12.430 -1.364 2.281
224 2HH1 ARG 29 HH12 ARG 29 -13.754 -0.665 3.152
225 1HH2 ARG 29 HH21 ARG 29 -13.715 -3.068 5.663
226 2HH2 ARG 29 HH22 ARG 29 -14.484 -1.632 5.072
227 H TRP 30 HN TRP 30 -5.025 -3.694 1.965
228 HA TRP 30 HA TRP 30 -4.206 -1.139 3.228
229 1HB TRP 30 HB2 TRP 30 -2.755 -2.394 4.838
230 2HB TRP 30 HB1 TRP 30 -4.474 -2.645 5.110
231 HD1 TRP 30 HD1 TRP 30 -1.923 -4.416 2.768
232 HE1 TRP 30 HE1 TRP 30 -2.137 -6.953 3.148
233 HE3 TRP 30 HE3 TRP 30 -5.513 -4.461 6.393
234 HZ2 TRP 30 HZ2 TRP 30 -3.639 -8.767 4.770
235 HZ3 TRP 30 HZ3 TRP 30 -6.318 -6.604 7.338
236 HH2 TRP 30 HH2 TRP 30 -5.388 -8.757 6.532
237 H CYS 31 HN CYS 31 -1.659 -1.137 3.292
238 HA CYS 31 HA CYS 31 -0.711 -1.303 0.598
239 1HB CYS 31 HB2 CYS 31 0.028 0.131 2.602
240 2HB CYS 31 HB1 CYS 31 0.962 -1.274 3.116
241 H LYS 32 HN LYS 32 0.415 -2.928 -0.474
242 HA LYS 32 HA LYS 32 1.259 -5.330 1.107
243 1HB LYS 32 HB2 LYS 32 -0.991 -5.576 -0.019
244 2HB LYS 32 HB1 LYS 32 -0.171 -5.362 -1.568
245 1HG LYS 32 HG2 LYS 32 1.184 -7.334 -1.197
246 2HG LYS 32 HG1 LYS 32 0.576 -7.496 0.450
247 1HD LYS 32 HD2 LYS 32 -1.628 -8.038 -0.322
248 2HD LYS 32 HD1 LYS 32 -1.223 -7.597 -1.981
249 1HE LYS 32 HE2 LYS 32 0.373 -9.465 -2.120
250 2HE LYS 32 HE1 LYS 32 0.029 -9.897 -0.433
251 1HZ LYS 32 HZ1 LYS 32 -1.352 -11.193 -1.939
252 2HZ LYS 32 HZ2 LYS 32 -1.964 -9.771 -2.638
253 3HZ LYS 32 HZ3 LYS 32 -2.313 -10.143 -1.017
254 H TYR 33 HN TYR 33 3.042 -6.475 0.167
255 HA TYR 33 HA TYR 33 5.047 -4.936 -1.123
256 1HB TYR 33 HB2 TYR 33 6.123 -7.179 -1.464
257 2HB TYR 33 HB1 TYR 33 5.519 -6.946 0.172
258 HD1 TYR 33 HD1 TYR 33 3.758 -8.312 1.061
259 HD2 TYR 33 HD2 TYR 33 4.812 -8.584 -3.096
260 HE1 TYR 33 HE1 TYR 33 2.358 -10.342 0.839
261 HE2 TYR 33 HE2 TYR 33 3.408 -10.615 -3.317
262 HH TYR 33 HH TYR 33 2.522 -12.491 -1.065
263 H GLN 34 HN GLN 34 5.751 -4.842 -3.297
264 HA GLN 34 HA GLN 34 3.735 -4.953 -5.344
265 1HB GLN 34 HB2 GLN 34 6.284 -3.889 -4.959
266 2HB GLN 34 HB1 GLN 34 6.518 -5.065 -6.253
267 1HG GLN 34 HG2 GLN 34 4.070 -3.554 -6.656
268 2HG GLN 34 HG1 GLN 34 5.459 -2.478 -6.513
269 1HE2 GLN 34 HE21 GLN 34 5.979 -1.970 -8.667
270 2HE2 GLN 34 HE22 GLN 34 6.240 -3.124 -9.885
271 H ILE 35 HN ILE 35 3.233 -6.581 -6.791
272 HA ILE 35 HA ILE 35 4.620 -9.199 -6.419
273 HB ILE 35 HB ILE 35 2.153 -8.971 -6.045
274 1HG1 ILE 35 HG12 ILE 35 1.580 -10.826 -7.851
275 2HG1 ILE 35 HG11 ILE 35 3.320 -10.779 -8.132
276 1HG2 ILE 35 HG21 ILE 35 0.674 -8.280 -7.680
277 2HG2 ILE 35 HG22 ILE 35 1.728 -8.785 -9.000
278 3HG2 ILE 35 HG23 ILE 35 2.070 -7.297 -8.121
279 1HD1 ILE 35 HD11 ILE 35 1.858 -11.460 -5.580
280 2HD1 ILE 35 HD12 ILE 35 3.558 -10.992 -5.572
281 3HD1 ILE 35 HD13 ILE 35 3.044 -12.430 -6.454
Start of MODEL 19
1 1H GLU 1 HT1 GLU 1 5.861 11.019 -0.512
2 2H GLU 1 HT2 GLU 1 6.929 10.700 -1.794
3 3H GLU 1 HT3 GLU 1 7.439 11.642 -0.477
4 HA GLU 1 HA GLU 1 8.303 9.316 -0.422
5 1HB GLU 1 HB2 GLU 1 7.815 10.965 1.515
6 2HB GLU 1 HB1 GLU 1 6.400 9.964 1.836
7 1HG GLU 1 HG2 GLU 1 8.140 9.106 3.234
8 2HG GLU 1 HG1 GLU 1 7.989 7.966 1.897
9 H CYS 2 HN CYS 2 7.735 7.071 -0.014
10 HA CYS 2 HA CYS 2 5.211 6.250 -1.242
11 1HB CYS 2 HB2 CYS 2 6.156 4.002 -0.916
12 2HB CYS 2 HB1 CYS 2 7.378 5.087 -1.571
13 H LEU 3 HN LEU 3 3.711 4.718 -0.128
14 HA LEU 3 HA LEU 3 3.053 5.674 2.580
15 1HB LEU 3 HB2 LEU 3 1.784 3.737 0.619
16 2HB LEU 3 HB1 LEU 3 1.059 4.168 2.167
17 HG LEU 3 HG LEU 3 1.910 6.458 0.489
18 1HD1 LEU 3 HD11 LEU 3 -0.028 4.391 -0.435
19 2HD1 LEU 3 HD12 LEU 3 0.992 5.476 -1.378
20 3HD1 LEU 3 HD13 LEU 3 -0.495 6.078 -0.646
21 1HD2 LEU 3 HD21 LEU 3 0.736 6.895 2.538
22 2HD2 LEU 3 HD22 LEU 3 -0.505 5.703 2.155
23 3HD2 LEU 3 HD23 LEU 3 -0.413 7.205 1.236
24 H GLU 4 HN GLU 4 3.633 4.600 4.431
25 HA GLU 4 HA GLU 4 5.196 2.141 4.319
26 1HB GLU 4 HB2 GLU 4 4.053 3.901 6.502
27 2HB GLU 4 HB1 GLU 4 4.986 2.448 6.867
28 1HG GLU 4 HG2 GLU 4 6.874 3.329 5.536
29 2HG GLU 4 HG1 GLU 4 5.946 4.789 5.193
30 H ILE 5 HN ILE 5 4.414 0.501 6.282
31 HA ILE 5 HA ILE 5 2.200 -0.969 5.225
32 HB ILE 5 HB ILE 5 4.096 -1.873 6.567
33 1HG1 ILE 5 HG12 ILE 5 2.641 -3.298 8.128
34 2HG1 ILE 5 HG11 ILE 5 1.275 -2.336 7.564
35 1HG2 ILE 5 HG21 ILE 5 2.776 -1.032 9.105
36 2HG2 ILE 5 HG22 ILE 5 3.718 0.190 8.250
37 3HG2 ILE 5 HG23 ILE 5 4.483 -1.313 8.763
38 1HD1 ILE 5 HD11 ILE 5 1.409 -4.327 6.193
39 2HD1 ILE 5 HD12 ILE 5 3.118 -4.041 5.868
40 3HD1 ILE 5 HD13 ILE 5 1.899 -2.950 5.209
41 H PHE 6 HN PHE 6 0.059 -1.204 5.972
42 HA PHE 6 HA PHE 6 -2.006 -0.468 6.832
43 1HB PHE 6 HB2 PHE 6 -0.023 0.087 9.048
44 2HB PHE 6 HB1 PHE 6 -1.753 0.344 9.268
45 HD1 PHE 6 HD1 PHE 6 0.698 -1.919 9.983
46 HD2 PHE 6 HD2 PHE 6 -3.127 -1.779 8.032
47 HE1 PHE 6 HE1 PHE 6 0.395 -4.345 10.400
48 HE2 PHE 6 HE2 PHE 6 -3.429 -4.204 8.449
49 HZ PHE 6 HZ PHE 6 -1.668 -5.487 9.632
50 H LYS 7 HN LYS 7 -0.642 1.409 5.097
51 HA LYS 7 HA LYS 7 -1.341 4.043 6.349
52 1HB LYS 7 HB2 LYS 7 1.013 3.499 5.486
53 2HB LYS 7 HB1 LYS 7 0.312 3.507 3.867
54 1HG LYS 7 HG2 LYS 7 1.110 5.716 4.165
55 2HG LYS 7 HG1 LYS 7 -0.621 5.834 4.483
56 1HD LYS 7 HD2 LYS 7 0.578 5.136 6.947
57 2HD LYS 7 HD1 LYS 7 1.585 6.408 6.256
58 1HE LYS 7 HE2 LYS 7 -0.351 7.872 5.994
59 2HE LYS 7 HE1 LYS 7 -1.437 6.581 6.544
60 1HZ LYS 7 HZ1 LYS 7 -0.232 6.492 8.634
61 2HZ LYS 7 HZ2 LYS 7 -0.830 8.060 8.373
62 3HZ LYS 7 HZ3 LYS 7 0.815 7.723 8.117
63 H ALA 8 HN ALA 8 -3.046 5.169 5.470
64 HA ALA 8 HA ALA 8 -4.934 4.042 3.700
65 1HB ALA 8 HB1 ALA 8 -5.830 6.326 3.629
66 2HB ALA 8 HB2 ALA 8 -4.280 6.971 4.168
67 3HB ALA 8 HB3 ALA 8 -5.245 5.973 5.255
68 H CYS 9 HN CYS 9 -4.445 3.396 1.633
69 HA CYS 9 HA CYS 9 -2.871 5.275 -0.107
70 1HB CYS 9 HB2 CYS 9 -1.654 3.230 0.422
71 2HB CYS 9 HB1 CYS 9 -3.046 2.245 -0.027
72 H ASN 10 HN ASN 10 -3.868 5.882 -2.008
73 HA ASN 10 HA ASN 10 -6.661 5.114 -2.459
74 1HB ASN 10 HB2 ASN 10 -4.641 6.927 -3.797
75 2HB ASN 10 HB1 ASN 10 -6.266 6.705 -4.447
76 1HD2 ASN 10 HD21 ASN 10 -4.411 8.286 -1.946
77 2HD2 ASN 10 HD22 ASN 10 -5.720 9.049 -1.180
78 HA PRO 11 HA PRO 11 -5.873 1.871 -5.349
79 1HB PRO 11 HB2 PRO 11 -8.148 2.024 -6.865
80 2HB PRO 11 HB1 PRO 11 -8.124 1.356 -5.221
81 1HG PRO 11 HG2 PRO 11 -8.974 4.056 -6.153
82 2HG PRO 11 HG1 PRO 11 -9.696 3.009 -4.921
83 1HD PRO 11 HD2 PRO 11 -8.121 5.142 -4.320
84 2HD PRO 11 HD1 PRO 11 -8.235 3.696 -3.291
85 H SER 12 HN SER 12 -6.973 5.009 -6.639
86 HA SER 12 HA SER 12 -5.942 4.548 -9.328
87 1HB SER 12 HB2 SER 12 -6.861 6.988 -7.776
88 2HB SER 12 HB1 SER 12 -6.443 7.028 -9.486
89 HG SER 12 HG SER 12 -8.666 6.019 -8.214
90 H ASN 13 HN ASN 13 -4.806 6.313 -6.432
91 HA ASN 13 HA ASN 13 -2.237 6.928 -7.809
92 1HB ASN 13 HB2 ASN 13 -3.894 8.401 -6.223
93 2HB ASN 13 HB1 ASN 13 -2.757 7.792 -5.019
94 1HD2 ASN 13 HD21 ASN 13 -0.323 8.036 -5.750
95 2HD2 ASN 13 HD22 ASN 13 0.072 9.482 -6.546
96 H ASP 14 HN ASP 14 -1.381 4.742 -7.749
97 HA ASP 14 HA ASP 14 -1.051 3.363 -5.175
98 1HB ASP 14 HB2 ASP 14 -1.417 2.032 -7.130
99 2HB ASP 14 HB1 ASP 14 -0.177 2.896 -8.038
100 H GLN 15 HN GLN 15 0.403 4.342 -3.791
101 HA GLN 15 HA GLN 15 3.162 4.836 -4.844
102 1HB GLN 15 HB2 GLN 15 1.179 6.709 -3.733
103 2HB GLN 15 HB1 GLN 15 2.751 6.808 -2.940
104 1HG GLN 15 HG2 GLN 15 3.179 6.587 -5.767
105 2HG GLN 15 HG1 GLN 15 2.004 7.870 -5.477
106 1HE2 GLN 15 HE21 GLN 15 3.043 9.850 -5.259
107 2HE2 GLN 15 HE22 GLN 15 4.539 10.091 -4.494
108 H CYS 16 HN CYS 16 2.600 2.504 -3.540
109 HA CYS 16 HA CYS 16 3.040 2.807 -0.634
110 1HB CYS 16 HB2 CYS 16 1.582 1.092 -1.969
111 2HB CYS 16 HB1 CYS 16 3.109 0.250 -2.228
112 H CYS 17 HN CYS 17 4.891 1.648 0.402
113 HA CYS 17 HA CYS 17 7.413 2.252 -0.934
114 1HB CYS 17 HB2 CYS 17 6.782 0.761 1.637
115 2HB CYS 17 HB1 CYS 17 8.353 1.424 1.192
116 H LYS 18 HN LYS 18 7.138 0.793 -2.834
117 HA LYS 18 HA LYS 18 6.856 -2.044 -2.686
118 1HB LYS 18 HB2 LYS 18 7.104 -0.107 -4.621
119 2HB LYS 18 HB1 LYS 18 8.650 -0.944 -4.763
120 1HG LYS 18 HG2 LYS 18 7.683 -2.734 -5.725
121 2HG LYS 18 HG1 LYS 18 6.462 -2.833 -4.456
122 1HD LYS 18 HD2 LYS 18 5.046 -2.275 -6.163
123 2HD LYS 18 HD1 LYS 18 5.580 -0.638 -5.780
124 1HE LYS 18 HE2 LYS 18 7.498 -1.054 -7.465
125 2HE LYS 18 HE1 LYS 18 6.534 -2.439 -8.015
126 1HZ LYS 18 HZ1 LYS 18 5.515 0.342 -7.745
127 2HZ LYS 18 HZ2 LYS 18 4.647 -0.996 -8.332
128 3HZ LYS 18 HZ3 LYS 18 5.964 -0.383 -9.211
129 H SER 19 HN SER 19 9.691 0.056 -2.365
130 HA SER 19 HA SER 19 11.695 -2.027 -2.414
131 1HB SER 19 HB2 SER 19 12.395 0.177 -2.873
132 2HB SER 19 HB1 SER 19 11.476 0.847 -1.531
133 HG SER 19 HG SER 19 13.245 0.661 -0.427
134 H SER 20 HN SER 20 9.467 -0.913 0.032
135 HA SER 20 HA SER 20 11.020 -2.277 2.194
136 1HB SER 20 HB2 SER 20 8.768 -0.253 2.124
137 2HB SER 20 HB1 SER 20 9.308 -1.016 3.616
138 HG SER 20 HG SER 20 10.923 0.316 3.618
139 H LYS 21 HN LYS 21 9.357 -3.639 0.052
140 HA LYS 21 HA LYS 21 7.850 -5.443 -0.085
141 1HB LYS 21 HB2 LYS 21 9.422 -5.780 2.087
142 2HB LYS 21 HB1 LYS 21 7.849 -5.719 2.882
143 1HG LYS 21 HG2 LYS 21 8.077 -8.000 2.386
144 2HG LYS 21 HG1 LYS 21 7.117 -7.408 1.031
145 1HD LYS 21 HD2 LYS 21 8.743 -7.917 -0.450
146 2HD LYS 21 HD1 LYS 21 9.968 -7.102 0.523
147 1HE LYS 21 HE2 LYS 21 10.348 -9.056 1.860
148 2HE LYS 21 HE1 LYS 21 8.904 -9.859 1.213
149 1HZ LYS 21 HZ1 LYS 21 11.315 -9.059 -0.334
150 2HZ LYS 21 HZ2 LYS 21 9.904 -9.720 -1.012
151 3HZ LYS 21 HZ3 LYS 21 10.855 -10.645 0.049
152 H LEU 22 HN LEU 22 6.586 -2.950 -0.099
153 HA LEU 22 HA LEU 22 4.064 -3.544 1.411
154 1HB LEU 22 HB2 LEU 22 5.605 -0.944 1.148
155 2HB LEU 22 HB1 LEU 22 3.938 -1.012 1.713
156 HG LEU 22 HG LEU 22 6.147 -2.636 2.991
157 1HD1 LEU 22 HD11 LEU 22 5.925 -0.791 4.800
158 2HD1 LEU 22 HD12 LEU 22 5.234 0.192 3.509
159 3HD1 LEU 22 HD13 LEU 22 6.880 -0.423 3.364
160 1HD2 LEU 22 HD21 LEU 22 4.539 -2.698 4.872
161 2HD2 LEU 22 HD22 LEU 22 3.825 -3.367 3.405
162 3HD2 LEU 22 HD23 LEU 22 3.402 -1.737 3.927
163 H VAL 23 HN VAL 23 2.243 -3.363 0.119
164 HA VAL 23 HA VAL 23 2.500 -1.911 -2.491
165 HB VAL 23 HB VAL 23 1.249 -3.832 -3.514
166 1HG1 VAL 23 HG11 VAL 23 3.790 -4.743 -2.143
167 2HG1 VAL 23 HG12 VAL 23 3.775 -3.633 -3.513
168 3HG1 VAL 23 HG13 VAL 23 3.161 -5.275 -3.702
169 1HG2 VAL 23 HG21 VAL 23 1.949 -5.667 -1.313
170 2HG2 VAL 23 HG22 VAL 23 0.485 -5.593 -2.294
171 3HG2 VAL 23 HG23 VAL 23 0.672 -4.520 -0.908
172 H CYS 24 HN CYS 24 0.524 -0.989 -3.249
173 HA CYS 24 HA CYS 24 -1.397 -0.249 -1.204
174 1HB CYS 24 HB2 CYS 24 -0.571 1.029 -3.282
175 2HB CYS 24 HB1 CYS 24 -1.684 0.019 -4.205
176 H SER 25 HN SER 25 -2.921 -1.693 -0.484
177 HA SER 25 HA SER 25 -4.070 -3.658 -2.435
178 1HB SER 25 HB2 SER 25 -3.673 -3.605 0.560
179 2HB SER 25 HB1 SER 25 -4.722 -4.791 -0.212
180 HG SER 25 HG SER 25 -3.021 -5.790 -0.964
181 H ARG 26 HN ARG 26 -6.102 -3.154 -3.132
182 HA ARG 26 HA ARG 26 -7.725 -1.070 -1.944
183 1HB ARG 26 HB2 ARG 26 -7.566 -1.992 -4.375
184 2HB ARG 26 HB1 ARG 26 -8.689 -3.233 -3.818
185 1HG ARG 26 HG2 ARG 26 -10.225 -1.411 -3.035
186 2HG ARG 26 HG1 ARG 26 -9.133 -0.234 -3.765
187 1HD ARG 26 HD2 ARG 26 -10.572 -0.538 -5.557
188 2HD ARG 26 HD1 ARG 26 -9.460 -1.881 -5.886
189 HE ARG 26 HE ARG 26 -11.127 -3.186 -4.299
190 1HH1 ARG 26 HH11 ARG 26 -11.730 -3.079 -7.276
191 2HH1 ARG 26 HH12 ARG 26 -13.395 -2.600 -7.272
192 1HH2 ARG 26 HH21 ARG 26 -13.354 -1.532 -3.965
193 2HH2 ARG 26 HH22 ARG 26 -14.316 -1.722 -5.393
194 H LYS 27 HN LYS 27 -7.670 -4.614 -1.680
195 HA LYS 27 HA LYS 27 -10.201 -5.035 -0.430
196 1HB LYS 27 HB2 LYS 27 -8.775 -6.816 -1.319
197 2HB LYS 27 HB1 LYS 27 -7.518 -6.435 -0.141
198 1HG LYS 27 HG2 LYS 27 -8.785 -7.257 1.665
199 2HG LYS 27 HG1 LYS 27 -10.301 -7.154 0.769
200 1HD LYS 27 HD2 LYS 27 -9.083 -8.886 -0.832
201 2HD LYS 27 HD1 LYS 27 -8.148 -9.229 0.624
202 1HE LYS 27 HE2 LYS 27 -10.613 -9.257 1.714
203 2HE LYS 27 HE1 LYS 27 -11.029 -9.759 0.063
204 1HZ LYS 27 HZ1 LYS 27 -8.894 -10.954 1.756
205 2HZ LYS 27 HZ2 LYS 27 -9.259 -11.412 0.161
206 3HZ LYS 27 HZ3 LYS 27 -10.389 -11.672 1.403
207 H THR 28 HN THR 28 -6.983 -4.388 1.007
208 HA THR 28 HA THR 28 -8.138 -4.160 3.717
209 HB THR 28 HB THR 28 -5.694 -3.670 4.232
210 HG1 THR 28 HG1 THR 28 -4.344 -3.462 2.633
211 1HG2 THR 28 HG21 THR 28 -6.476 -6.168 2.717
212 2HG2 THR 28 HG22 THR 28 -6.490 -5.924 4.464
213 3HG2 THR 28 HG23 THR 28 -4.957 -6.006 3.598
214 H ARG 29 HN ARG 29 -7.663 -2.090 1.036
215 HA ARG 29 HA ARG 29 -8.008 0.217 0.769
216 1HB ARG 29 HB2 ARG 29 -9.464 -0.605 3.016
217 2HB ARG 29 HB1 ARG 29 -8.603 0.838 3.550
218 1HG ARG 29 HG2 ARG 29 -9.557 1.377 0.930
219 2HG ARG 29 HG1 ARG 29 -10.896 0.657 1.823
220 1HD ARG 29 HD2 ARG 29 -10.370 2.297 3.709
221 2HD ARG 29 HD1 ARG 29 -9.299 3.126 2.561
222 HE ARG 29 HE ARG 29 -11.427 3.115 1.033
223 1HH1 ARG 29 HH11 ARG 29 -13.183 1.971 3.203
224 2HH1 ARG 29 HH12 ARG 29 -13.895 3.401 3.873
225 1HH2 ARG 29 HH21 ARG 29 -11.572 5.550 2.440
226 2HH2 ARG 29 HH22 ARG 29 -12.982 5.431 3.440
227 H TRP 30 HN TRP 30 -5.445 -1.072 2.269
228 HA TRP 30 HA TRP 30 -4.082 1.539 2.470
229 1HB TRP 30 HB2 TRP 30 -3.276 1.049 4.769
230 2HB TRP 30 HB1 TRP 30 -5.027 1.192 4.710
231 HD1 TRP 30 HD1 TRP 30 -2.663 -1.830 4.070
232 HE1 TRP 30 HE1 TRP 30 -3.507 -3.806 5.487
233 HE3 TRP 30 HE3 TRP 30 -6.597 0.404 6.437
234 HZ2 TRP 30 HZ2 TRP 30 -5.575 -4.368 7.378
235 HZ3 TRP 30 HZ3 TRP 30 -7.985 -0.877 8.045
236 HH2 TRP 30 HH2 TRP 30 -7.478 -3.258 8.518
237 H CYS 31 HN CYS 31 -1.643 0.998 3.166
238 HA CYS 31 HA CYS 31 -0.588 -0.766 1.130
239 1HB CYS 31 HB2 CYS 31 0.385 1.037 3.278
240 2HB CYS 31 HB1 CYS 31 1.509 -0.221 2.766
241 H LYS 32 HN LYS 32 -0.166 -2.925 1.287
242 HA LYS 32 HA LYS 32 -0.081 -4.177 4.018
243 1HB LYS 32 HB2 LYS 32 -2.161 -4.598 2.740
244 2HB LYS 32 HB1 LYS 32 -1.206 -5.221 1.395
245 1HG LYS 32 HG2 LYS 32 -0.436 -7.089 2.694
246 2HG LYS 32 HG1 LYS 32 -1.081 -6.396 4.183
247 1HD LYS 32 HD2 LYS 32 -2.677 -8.035 3.537
248 2HD LYS 32 HD1 LYS 32 -3.379 -6.496 3.041
249 1HE LYS 32 HE2 LYS 32 -2.079 -7.017 0.771
250 2HE LYS 32 HE1 LYS 32 -2.252 -8.689 1.340
251 1HZ LYS 32 HZ1 LYS 32 -4.450 -6.694 1.136
252 2HZ LYS 32 HZ2 LYS 32 -4.612 -8.288 1.702
253 3HZ LYS 32 HZ3 LYS 32 -4.204 -7.997 0.079
254 H TYR 33 HN TYR 33 1.432 -5.912 4.260
255 HA TYR 33 HA TYR 33 3.912 -5.726 2.913
256 1HB TYR 33 HB2 TYR 33 4.424 -7.808 4.083
257 2HB TYR 33 HB1 TYR 33 3.443 -6.791 5.133
258 HD1 TYR 33 HD1 TYR 33 3.457 -9.807 2.992
259 HD2 TYR 33 HD2 TYR 33 1.155 -7.394 5.701
260 HE1 TYR 33 HE1 TYR 33 1.775 -11.619 3.176
261 HE2 TYR 33 HE2 TYR 33 -0.526 -9.206 5.885
262 HH TYR 33 HH TYR 33 -0.285 -11.988 5.480
263 H GLN 34 HN GLN 34 4.842 -6.936 1.198
264 HA GLN 34 HA GLN 34 2.983 -7.886 -0.843
265 1HB GLN 34 HB2 GLN 34 5.269 -6.643 -1.023
266 2HB GLN 34 HB1 GLN 34 5.978 -8.247 -0.836
267 1HG GLN 34 HG2 GLN 34 5.123 -9.015 -2.857
268 2HG GLN 34 HG1 GLN 34 3.783 -7.869 -2.842
269 1HE2 GLN 34 HE21 GLN 34 5.164 -7.963 -5.207
270 2HE2 GLN 34 HE22 GLN 34 6.175 -6.611 -5.382
271 H ILE 35 HN ILE 35 2.680 -10.033 -1.527
272 HA ILE 35 HA ILE 35 3.181 -12.130 0.457
273 HB ILE 35 HB ILE 35 1.964 -12.102 -2.328
274 1HG1 ILE 35 HG12 ILE 35 0.496 -12.404 0.288
275 2HG1 ILE 35 HG11 ILE 35 0.921 -10.801 -0.309
276 1HG2 ILE 35 HG21 ILE 35 0.972 -14.287 -1.656
277 2HG2 ILE 35 HG22 ILE 35 1.943 -14.251 -0.184
278 3HG2 ILE 35 HG23 ILE 35 2.731 -14.359 -1.758
279 1HD1 ILE 35 HD11 ILE 35 -0.771 -12.881 -1.721
280 2HD1 ILE 35 HD12 ILE 35 -0.202 -11.397 -2.487
281 3HD1 ILE 35 HD13 ILE 35 -1.300 -11.313 -1.110
Start of MODEL 20
1 1H GLU 1 HT1 GLU 1 -5.019 11.884 -6.037
2 2H GLU 1 HT2 GLU 1 -3.698 11.669 -4.989
3 3H GLU 1 HT3 GLU 1 -5.217 11.019 -4.591
4 HA GLU 1 HA GLU 1 -5.088 9.512 -6.504
5 1HB GLU 1 HB2 GLU 1 -3.703 11.174 -7.783
6 2HB GLU 1 HB1 GLU 1 -2.327 10.754 -6.763
7 1HG GLU 1 HG2 GLU 1 -3.203 8.275 -7.588
8 2HG GLU 1 HG1 GLU 1 -3.514 9.270 -9.011
9 H CYS 2 HN CYS 2 -5.255 8.146 -4.621
10 HA CYS 2 HA CYS 2 -2.847 7.606 -3.001
11 1HB CYS 2 HB2 CYS 2 -4.406 6.195 -1.732
12 2HB CYS 2 HB1 CYS 2 -5.143 7.763 -2.051
13 H LEU 3 HN LEU 3 -2.003 5.388 -2.780
14 HA LEU 3 HA LEU 3 -1.784 4.025 -5.383
15 1HB LEU 3 HB2 LEU 3 -0.542 3.680 -2.639
16 2HB LEU 3 HB1 LEU 3 -0.145 2.636 -4.002
17 HG LEU 3 HG LEU 3 0.012 5.617 -4.342
18 1HD1 LEU 3 HD11 LEU 3 2.269 3.923 -3.242
19 2HD1 LEU 3 HD12 LEU 3 1.257 4.959 -2.236
20 3HD1 LEU 3 HD13 LEU 3 2.266 5.668 -3.497
21 1HD2 LEU 3 HD21 LEU 3 0.330 4.370 -6.348
22 2HD2 LEU 3 HD22 LEU 3 1.337 3.172 -5.535
23 3HD2 LEU 3 HD23 LEU 3 1.955 4.800 -5.816
24 H GLU 4 HN GLU 4 -3.418 2.617 -5.901
25 HA GLU 4 HA GLU 4 -5.174 1.349 -3.999
26 1HB GLU 4 HB2 GLU 4 -5.164 1.863 -6.669
27 2HB GLU 4 HB1 GLU 4 -4.750 0.150 -6.689
28 1HG GLU 4 HG2 GLU 4 -6.909 0.733 -4.808
29 2HG GLU 4 HG1 GLU 4 -7.317 1.211 -6.456
30 H ILE 5 HN ILE 5 -5.389 -1.218 -4.197
31 HA ILE 5 HA ILE 5 -3.140 -2.417 -2.919
32 HB ILE 5 HB ILE 5 -5.745 -2.987 -3.223
33 1HG1 ILE 5 HG12 ILE 5 -3.958 -3.973 -1.649
34 2HG1 ILE 5 HG11 ILE 5 -5.345 -4.989 -2.027
35 1HG2 ILE 5 HG21 ILE 5 -6.132 -4.889 -4.658
36 2HG2 ILE 5 HG22 ILE 5 -4.425 -4.974 -5.090
37 3HG2 ILE 5 HG23 ILE 5 -5.404 -3.613 -5.632
38 1HD1 ILE 5 HD11 ILE 5 -4.012 -6.561 -2.931
39 2HD1 ILE 5 HD12 ILE 5 -2.621 -5.629 -2.379
40 3HD1 ILE 5 HD13 ILE 5 -3.263 -5.377 -4.001
41 H PHE 6 HN PHE 6 -1.607 -3.968 -3.740
42 HA PHE 6 HA PHE 6 -0.038 -4.785 -5.293
43 1HB PHE 6 HB2 PHE 6 -2.633 -4.676 -6.834
44 2HB PHE 6 HB1 PHE 6 -1.153 -5.244 -7.603
45 HD1 PHE 6 HD1 PHE 6 -3.970 -6.548 -6.402
46 HD2 PHE 6 HD2 PHE 6 0.228 -6.708 -5.495
47 HE1 PHE 6 HE1 PHE 6 -4.280 -8.772 -5.349
48 HE2 PHE 6 HE2 PHE 6 -0.085 -8.930 -4.442
49 HZ PHE 6 HZ PHE 6 -2.339 -9.963 -4.370
50 H LYS 7 HN LYS 7 -0.195 -1.888 -4.891
51 HA LYS 7 HA LYS 7 0.656 -0.913 -7.603
52 1HB LYS 7 HB2 LYS 7 -1.441 0.020 -6.391
53 2HB LYS 7 HB1 LYS 7 -0.296 0.786 -5.290
54 1HG LYS 7 HG2 LYS 7 -0.594 2.453 -6.901
55 2HG LYS 7 HG1 LYS 7 0.847 1.630 -7.499
56 1HD LYS 7 HD2 LYS 7 -0.555 1.821 -9.402
57 2HD LYS 7 HD1 LYS 7 -0.774 0.158 -8.859
58 1HE LYS 7 HE2 LYS 7 -2.670 1.654 -7.403
59 2HE LYS 7 HE1 LYS 7 -2.757 2.266 -9.066
60 1HZ LYS 7 HZ1 LYS 7 -4.133 0.289 -8.797
61 2HZ LYS 7 HZ2 LYS 7 -2.785 -0.601 -8.271
62 3HZ LYS 7 HZ3 LYS 7 -2.852 -0.015 -9.866
63 H ALA 8 HN ALA 8 2.772 -0.253 -7.733
64 HA ALA 8 HA ALA 8 4.704 -0.702 -5.725
65 1HB ALA 8 HB1 ALA 8 6.141 0.676 -7.197
66 2HB ALA 8 HB2 ALA 8 4.706 1.295 -8.014
67 3HB ALA 8 HB3 ALA 8 5.128 -0.413 -8.145
68 H CYS 9 HN CYS 9 4.728 0.271 -3.739
69 HA CYS 9 HA CYS 9 4.202 3.225 -3.589
70 1HB CYS 9 HB2 CYS 9 3.269 2.762 -1.366
71 2HB CYS 9 HB1 CYS 9 2.468 1.750 -2.566
72 H ASN 10 HN ASN 10 5.545 4.403 -2.075
73 HA ASN 10 HA ASN 10 8.219 3.176 -1.691
74 1HB ASN 10 HB2 ASN 10 7.286 5.651 -2.493
75 2HB ASN 10 HB1 ASN 10 7.746 5.948 -0.817
76 1HD2 ASN 10 HD21 ASN 10 9.055 4.437 -3.824
77 2HD2 ASN 10 HD22 ASN 10 10.670 4.843 -3.496
78 HA PRO 11 HA PRO 11 7.402 2.413 2.594
79 1HB PRO 11 HB2 PRO 11 9.993 2.111 3.430
80 2HB PRO 11 HB1 PRO 11 9.118 0.867 2.515
81 1HG PRO 11 HG2 PRO 11 11.112 2.864 1.563
82 2HG PRO 11 HG1 PRO 11 10.907 1.166 1.103
83 1HD PRO 11 HD2 PRO 11 10.041 3.238 -0.430
84 2HD PRO 11 HD1 PRO 11 9.260 1.641 -0.421
85 H SER 12 HN SER 12 9.729 4.894 1.561
86 HA SER 12 HA SER 12 10.017 6.235 4.095
87 1HB SER 12 HB2 SER 12 10.217 7.262 1.243
88 2HB SER 12 HB1 SER 12 10.895 8.052 2.662
89 HG SER 12 HG SER 12 12.331 6.411 2.890
90 H ASN 13 HN ASN 13 7.885 6.850 1.282
91 HA ASN 13 HA ASN 13 6.072 8.400 3.103
92 1HB ASN 13 HB2 ASN 13 7.573 9.660 1.392
93 2HB ASN 13 HB1 ASN 13 6.493 8.991 0.168
94 1HD2 ASN 13 HD21 ASN 13 6.496 11.011 3.137
95 2HD2 ASN 13 HD22 ASN 13 5.068 11.845 2.756
96 H ASP 14 HN ASP 14 5.086 6.129 3.210
97 HA ASP 14 HA ASP 14 3.923 4.827 0.949
98 1HB ASP 14 HB2 ASP 14 2.632 3.631 2.655
99 2HB ASP 14 HB1 ASP 14 4.282 3.866 3.224
100 H GLN 15 HN GLN 15 1.989 5.147 -0.130
101 HA GLN 15 HA GLN 15 0.114 7.242 0.914
102 1HB GLN 15 HB2 GLN 15 1.739 7.111 -1.565
103 2HB GLN 15 HB1 GLN 15 0.065 7.618 -1.791
104 1HG GLN 15 HG2 GLN 15 0.320 9.430 -0.224
105 2HG GLN 15 HG1 GLN 15 1.908 8.846 0.275
106 1HE2 GLN 15 HE21 GLN 15 0.219 9.866 -2.761
107 2HE2 GLN 15 HE22 GLN 15 1.577 10.639 -3.422
108 H CYS 16 HN CYS 16 -0.141 4.304 0.982
109 HA CYS 16 HA CYS 16 -1.734 3.283 -1.169
110 1HB CYS 16 HB2 CYS 16 -1.634 2.598 1.787
111 2HB CYS 16 HB1 CYS 16 -2.359 1.578 0.545
112 H CYS 17 HN CYS 17 -4.039 3.052 -1.317
113 HA CYS 17 HA CYS 17 -5.606 5.320 -0.527
114 1HB CYS 17 HB2 CYS 17 -6.426 2.530 -1.407
115 2HB CYS 17 HB1 CYS 17 -7.464 3.955 -1.438
116 H LYS 18 HN LYS 18 -6.384 5.754 1.483
117 HA LYS 18 HA LYS 18 -6.372 3.790 3.633
118 1HB LYS 18 HB2 LYS 18 -7.179 5.674 4.949
119 2HB LYS 18 HB1 LYS 18 -5.940 6.254 3.839
120 1HG LYS 18 HG2 LYS 18 -7.999 6.706 2.248
121 2HG LYS 18 HG1 LYS 18 -8.909 6.691 3.759
122 1HD LYS 18 HD2 LYS 18 -6.732 8.256 4.405
123 2HD LYS 18 HD1 LYS 18 -7.030 8.703 2.725
124 1HE LYS 18 HE2 LYS 18 -9.503 8.499 4.309
125 2HE LYS 18 HE1 LYS 18 -8.392 9.754 4.891
126 1HZ LYS 18 HZ1 LYS 18 -9.232 9.374 2.062
127 2HZ LYS 18 HZ2 LYS 18 -8.173 10.575 2.632
128 3HZ LYS 18 HZ3 LYS 18 -9.807 10.587 3.098
129 H SER 19 HN SER 19 -8.776 4.894 1.320
130 HA SER 19 HA SER 19 -11.169 4.191 2.729
131 1HB SER 19 HB2 SER 19 -10.285 4.658 -0.079
132 2HB SER 19 HB1 SER 19 -11.818 3.819 0.136
133 HG SER 19 HG SER 19 -12.345 5.931 0.201
134 H SER 20 HN SER 20 -8.968 2.268 0.683
135 HA SER 20 HA SER 20 -10.648 -0.157 1.024
136 1HB SER 20 HB2 SER 20 -8.154 0.569 -0.528
137 2HB SER 20 HB1 SER 20 -8.784 -1.075 -0.482
138 HG SER 20 HG SER 20 -9.558 0.917 -2.022
139 H LYS 21 HN LYS 21 -8.733 1.295 3.149
140 HA LYS 21 HA LYS 21 -7.312 0.617 4.899
141 1HB LYS 21 HB2 LYS 21 -8.877 -1.894 4.223
142 2HB LYS 21 HB1 LYS 21 -7.871 -1.744 5.663
143 1HG LYS 21 HG2 LYS 21 -9.986 0.315 5.043
144 2HG LYS 21 HG1 LYS 21 -10.400 -1.183 5.877
145 1HD LYS 21 HD2 LYS 21 -8.805 -0.698 7.649
146 2HD LYS 21 HD1 LYS 21 -8.235 0.733 6.790
147 1HE LYS 21 HE2 LYS 21 -10.313 1.881 7.119
148 2HE LYS 21 HE1 LYS 21 -11.124 0.397 7.654
149 1HZ LYS 21 HZ1 LYS 21 -10.420 1.765 9.542
150 2HZ LYS 21 HZ2 LYS 21 -8.807 1.671 9.017
151 3HZ LYS 21 HZ3 LYS 21 -9.620 0.269 9.530
152 H LEU 22 HN LEU 22 -5.783 0.827 2.707
153 HA LEU 22 HA LEU 22 -4.276 -1.752 2.423
154 1HB LEU 22 HB2 LEU 22 -4.440 0.751 0.709
155 2HB LEU 22 HB1 LEU 22 -3.440 -0.651 0.332
156 HG LEU 22 HG LEU 22 -6.432 -0.834 0.756
157 1HD1 LEU 22 HD11 LEU 22 -6.560 -0.951 -1.736
158 2HD1 LEU 22 HD12 LEU 22 -4.855 -0.507 -1.812
159 3HD1 LEU 22 HD13 LEU 22 -6.033 0.627 -1.152
160 1HD2 LEU 22 HD21 LEU 22 -5.909 -2.921 -0.740
161 2HD2 LEU 22 HD22 LEU 22 -5.524 -2.986 0.979
162 3HD2 LEU 22 HD23 LEU 22 -4.249 -2.675 -0.199
163 H VAL 23 HN VAL 23 -2.031 -1.752 2.820
164 HA VAL 23 HA VAL 23 -0.832 0.803 3.839
165 HB VAL 23 HB VAL 23 0.312 -0.688 5.553
166 1HG1 VAL 23 HG11 VAL 23 -1.754 0.708 5.984
167 2HG1 VAL 23 HG12 VAL 23 -1.573 -0.686 7.048
168 3HG1 VAL 23 HG13 VAL 23 -2.712 -0.746 5.703
169 1HG2 VAL 23 HG21 VAL 23 -1.834 -2.690 4.802
170 2HG2 VAL 23 HG22 VAL 23 -0.500 -2.907 5.934
171 3HG2 VAL 23 HG23 VAL 23 -0.180 -2.809 4.203
172 H CYS 24 HN CYS 24 1.272 1.176 3.125
173 HA CYS 24 HA CYS 24 2.301 -0.395 0.917
174 1HB CYS 24 HB2 CYS 24 2.581 2.066 1.254
175 2HB CYS 24 HB1 CYS 24 3.619 1.732 2.640
176 H SER 25 HN SER 25 2.951 -2.480 1.442
177 HA SER 25 HA SER 25 4.520 -2.965 3.913
178 1HB SER 25 HB2 SER 25 2.976 -4.516 1.904
179 2HB SER 25 HB1 SER 25 4.340 -5.355 2.638
180 HG SER 25 HG SER 25 1.952 -4.493 3.741
181 H ARG 26 HN ARG 26 6.721 -3.065 3.887
182 HA ARG 26 HA ARG 26 8.281 -2.526 1.529
183 1HB ARG 26 HB2 ARG 26 8.836 -2.018 3.935
184 2HB ARG 26 HB1 ARG 26 9.130 -3.740 4.179
185 1HG ARG 26 HG2 ARG 26 10.770 -3.562 2.199
186 2HG ARG 26 HG1 ARG 26 10.654 -1.815 2.418
187 1HD ARG 26 HD2 ARG 26 12.529 -2.452 3.748
188 2HD ARG 26 HD1 ARG 26 11.203 -2.305 4.918
189 HE ARG 26 HE ARG 26 11.025 -4.934 4.047
190 1HH1 ARG 26 HH21 ARG 26 13.992 -4.779 3.618
191 2HH1 ARG 26 HH22 ARG 26 14.607 -5.264 5.163
192 1HH2 ARG 26 HH11 ARG 26 11.591 -4.766 6.816
193 2HH2 ARG 26 HH12 ARG 26 13.244 -5.257 6.978
194 H LYS 27 HN LYS 27 7.480 -5.541 3.256
195 HA LYS 27 HA LYS 27 9.269 -7.287 1.851
196 1HB LYS 27 HB2 LYS 27 6.883 -7.440 3.596
197 2HB LYS 27 HB1 LYS 27 7.120 -8.840 2.550
198 1HG LYS 27 HG2 LYS 27 9.039 -9.484 3.614
199 2HG LYS 27 HG1 LYS 27 9.552 -7.823 3.913
200 1HD LYS 27 HD2 LYS 27 7.671 -7.687 5.631
201 2HD LYS 27 HD1 LYS 27 7.513 -9.436 5.460
202 1HE LYS 27 HE2 LYS 27 9.799 -9.784 6.199
203 2HE LYS 27 HE1 LYS 27 10.110 -8.037 6.191
204 1HZ LYS 27 HZ1 LYS 27 8.372 -7.734 7.828
205 2HZ LYS 27 HZ2 LYS 27 9.521 -8.839 8.416
206 3HZ LYS 27 HZ3 LYS 27 8.029 -9.396 7.825
207 H THR 28 HN THR 28 5.879 -6.334 1.182
208 HA THR 28 HA THR 28 5.759 -7.988 -1.252
209 HB THR 28 HB THR 28 3.492 -7.012 -1.396
210 HG1 THR 28 HG1 THR 28 3.033 -5.232 -0.393
211 1HG2 THR 28 HG21 THR 28 3.070 -7.476 1.293
212 2HG2 THR 28 HG22 THR 28 4.574 -8.341 0.982
213 3HG2 THR 28 HG23 THR 28 3.131 -8.717 0.042
214 H ARG 29 HN ARG 29 6.683 -4.731 -0.440
215 HA ARG 29 HA ARG 29 7.599 -3.026 -1.777
216 1HB ARG 29 HB2 ARG 29 8.052 -5.408 -3.132
217 2HB ARG 29 HB1 ARG 29 7.264 -4.401 -4.346
218 1HG ARG 29 HG2 ARG 29 9.543 -3.358 -2.659
219 2HG ARG 29 HG1 ARG 29 9.829 -4.225 -4.168
220 1HD ARG 29 HD2 ARG 29 8.225 -2.549 -5.272
221 2HD ARG 29 HD1 ARG 29 8.375 -1.595 -3.783
222 HE ARG 29 HE ARG 29 10.486 -1.997 -5.773
223 1HH1 ARG 29 HH11 ARG 29 9.715 0.333 -3.766
224 2HH1 ARG 29 HH12 ARG 29 11.190 0.415 -2.862
225 1HH2 ARG 29 HH21 ARG 29 12.403 -2.614 -4.060
226 2HH2 ARG 29 HH22 ARG 29 12.716 -1.257 -3.029
227 H TRP 30 HN TRP 30 4.485 -3.759 -1.621
228 HA TRP 30 HA TRP 30 3.695 -1.458 -3.279
229 1HB TRP 30 HB2 TRP 30 2.034 -2.791 -4.567
230 2HB TRP 30 HB1 TRP 30 3.686 -3.297 -4.893
231 HD1 TRP 30 HD1 TRP 30 1.105 -4.323 -2.165
232 HE1 TRP 30 HE1 TRP 30 1.033 -6.896 -2.081
233 HE3 TRP 30 HE3 TRP 30 4.460 -5.419 -5.855
234 HZ2 TRP 30 HZ2 TRP 30 2.237 -9.127 -3.405
235 HZ3 TRP 30 HZ3 TRP 30 4.974 -7.774 -6.425
236 HH2 TRP 30 HH2 TRP 30 3.868 -9.628 -5.207
237 H CYS 31 HN CYS 31 1.194 -1.166 -3.069
238 HA CYS 31 HA CYS 31 0.524 -1.072 -0.254
239 1HB CYS 31 HB2 CYS 31 -0.916 -0.535 -2.858
240 2HB CYS 31 HB1 CYS 31 -1.720 -0.333 -1.302
241 H LYS 32 HN LYS 32 -0.381 -2.697 0.935
242 HA LYS 32 HA LYS 32 -2.042 -4.760 -0.471
243 1HB LYS 32 HB2 LYS 32 0.437 -5.315 0.133
244 2HB LYS 32 HB1 LYS 32 -0.151 -5.388 1.795
245 1HG LYS 32 HG2 LYS 32 -2.040 -6.900 0.632
246 2HG LYS 32 HG1 LYS 32 -0.723 -7.201 -0.501
247 1HD LYS 32 HD2 LYS 32 0.658 -8.139 1.157
248 2HD LYS 32 HD1 LYS 32 -0.268 -7.409 2.470
249 1HE LYS 32 HE2 LYS 32 -1.993 -8.987 2.312
250 2HE LYS 32 HE1 LYS 32 -1.606 -9.383 0.626
251 1HZ LYS 32 HZ1 LYS 32 0.520 -10.295 1.384
252 2HZ LYS 32 HZ2 LYS 32 -0.790 -11.114 2.091
253 3HZ LYS 32 HZ3 LYS 32 0.092 -9.977 2.995
254 H TYR 33 HN TYR 33 -3.890 -5.351 0.674
255 HA TYR 33 HA TYR 33 -4.988 -3.699 2.677
256 1HB TYR 33 HB2 TYR 33 -6.543 -5.673 3.038
257 2HB TYR 33 HB1 TYR 33 -6.368 -5.173 1.360
258 HD1 TYR 33 HD1 TYR 33 -5.480 -6.655 -0.285
259 HD2 TYR 33 HD2 TYR 33 -5.230 -7.677 3.882
260 HE1 TYR 33 HE1 TYR 33 -4.748 -8.944 -0.890
261 HE2 TYR 33 HE2 TYR 33 -4.495 -9.966 3.274
262 HH TYR 33 HH TYR 33 -3.259 -10.826 0.502
263 H GLN 34 HN GLN 34 -4.991 -3.750 4.933
264 HA GLN 34 HA GLN 34 -2.844 -5.366 6.198
265 1HB GLN 34 HB2 GLN 34 -3.351 -2.798 6.405
266 2HB GLN 34 HB1 GLN 34 -4.580 -3.316 7.560
267 1HG GLN 34 HG2 GLN 34 -2.012 -4.653 7.991
268 2HG GLN 34 HG1 GLN 34 -1.888 -2.900 8.129
269 1HE2 GLN 34 HE21 GLN 34 -1.726 -2.838 10.452
270 2HE2 GLN 34 HE22 GLN 34 -3.004 -3.304 11.467
271 H ILE 35 HN ILE 35 -3.312 -7.145 7.434
272 HA ILE 35 HA ILE 35 -6.161 -7.817 7.950
273 HB ILE 35 HB ILE 35 -4.546 -9.406 6.865
274 1HG1 ILE 35 HG12 ILE 35 -5.382 -10.499 9.552
275 2HG1 ILE 35 HG11 ILE 35 -6.580 -10.058 8.336
276 1HG2 ILE 35 HG21 ILE 35 -2.844 -10.495 8.275
277 2HG2 ILE 35 HG22 ILE 35 -3.267 -9.435 9.618
278 3HG2 ILE 35 HG23 ILE 35 -2.537 -8.763 8.161
279 1HD1 ILE 35 HD11 ILE 35 -4.327 -11.717 7.358
280 2HD1 ILE 35 HD12 ILE 35 -6.047 -11.816 6.981
281 3HD1 ILE 35 HD13 ILE 35 -5.431 -12.516 8.478
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