NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
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12634 |
1tac   |
cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H LEU 1 HT1 LEU 1 -25.401 20.321 20.321
2 2H LEU 1 HT3 LEU 1 -24.137 20.942 20.942
3 3H LEU 1 HT2 LEU 1 -25.645 20.615 20.615
4 HA LEU 1 HA LEU 1 -24.340 18.808 18.808
5 1HB LEU 1 HB2 LEU 1 -22.781 17.744 17.744
6 2HB LEU 1 HB1 LEU 1 -22.506 19.491 19.491
7 HG LEU 1 HG LEU 1 -24.382 19.234 19.234
8 1HD1 LEU 1 HD12 LEU 1 -23.380 16.621 16.621
9 2HD1 LEU 1 HD11 LEU 1 -22.683 17.256 17.256
10 3HD1 LEU 1 HD13 LEU 1 -24.433 17.232 17.232
11 1HD2 LEU 1 HD23 LEU 1 -21.978 20.349 20.349
12 2HD2 LEU 1 HD22 LEU 1 -22.794 20.150 20.150
13 3HD2 LEU 1 HD21 LEU 1 -21.552 19.001 19.001
14 H ASP 2 HN ASP 2 -24.689 16.454 16.454
15 HA ASP 2 HA ASP 2 -26.249 14.725 14.725
16 1HB ASP 2 HB2 ASP 2 -25.058 15.450 15.450
17 2HB ASP 2 HB1 ASP 2 -26.739 15.836 15.836
18 HA PRO 3 HA PRO 3 -29.967 17.520 17.520
19 1HB PRO 3 HB2 PRO 3 -30.184 17.979 17.979
20 2HB PRO 3 HB1 PRO 3 -29.230 18.993 18.993
21 1HG PRO 3 HG2 PRO 3 -28.301 17.067 17.067
22 2HG PRO 3 HG1 PRO 3 -27.465 18.430 18.430
23 1HD PRO 3 HD2 PRO 3 -27.342 15.633 15.633
24 2HD PRO 3 HD1 PRO 3 -26.326 16.962 16.962
25 H VAL 4 HN VAL 4 -29.901 15.939 15.939
26 HA VAL 4 HA VAL 4 -32.197 14.234 14.234
27 HB VAL 4 HB VAL 4 -30.232 14.639 14.639
28 1HG1 VAL 4 HG11 VAL 4 -32.473 12.596 12.596
29 2HG1 VAL 4 HG13 VAL 4 -31.557 13.105 13.105
30 3HG1 VAL 4 HG12 VAL 4 -30.748 12.244 12.244
31 1HG2 VAL 4 HG21 VAL 4 -32.934 15.528 15.528
32 2HG2 VAL 4 HG23 VAL 4 -31.711 16.261 16.261
33 3HG2 VAL 4 HG22 VAL 4 -32.745 14.977 14.977
34 H ASP 5 HN ASP 5 -28.819 13.675 13.675
35 HA ASP 5 HA ASP 5 -28.425 11.617 11.617
36 1HB ASP 5 HB2 ASP 5 -29.124 10.969 10.969
37 2HB ASP 5 HB1 ASP 5 -27.503 10.337 10.337
38 HA PRO 6 HA PRO 6 -24.392 13.212 13.212
39 1HB PRO 6 HB2 PRO 6 -23.954 13.370 13.370
40 2HB PRO 6 HB1 PRO 6 -23.894 11.832 11.832
41 1HG PRO 6 HG2 PRO 6 -25.905 12.782 12.782
42 2HG PRO 6 HG1 PRO 6 -25.624 11.131 11.131
43 1HD PRO 6 HD2 PRO 6 -27.474 13.197 13.197
44 2HD PRO 6 HD1 PRO 6 -27.525 11.432 11.432
45 H ASN 7 HN ASN 7 -23.479 15.251 15.251
46 HA ASN 7 HA ASN 7 -25.212 17.479 17.479
47 1HB ASN 7 HB2 ASN 7 -22.714 17.197 17.197
48 2HB ASN 7 HB1 ASN 7 -23.483 18.761 18.761
49 1HD2 ASN 7 HD22 ASN 7 -21.015 17.188 17.188
50 2HD2 ASN 7 HD21 ASN 7 -21.085 16.670 16.670
51 H ILE 8 HN ILE 8 -24.179 16.184 16.184
52 HA ILE 8 HA ILE 8 -26.792 17.100 17.100
53 HB ILE 8 HB ILE 8 -25.650 18.011 18.011
54 1HG1 ILE 8 HG12 ILE 8 -23.852 16.205 16.205
55 2HG1 ILE 8 HG11 ILE 8 -23.297 17.826 17.826
56 1HG2 ILE 8 HG22 ILE 8 -25.001 18.918 18.918
57 2HG2 ILE 8 HG21 ILE 8 -23.741 19.360 19.360
58 3HG2 ILE 8 HG23 ILE 8 -25.407 19.858 19.858
59 1HD1 ILE 8 HD12 ILE 8 -22.903 17.819 17.819
60 2HD1 ILE 8 HD11 ILE 8 -22.719 16.096 16.096
61 3HD1 ILE 8 HD13 ILE 8 -21.686 17.265 17.265
62 H GLU 9 HN GLU 9 -25.234 14.439 14.439
63 HA GLU 9 HA GLU 9 -25.151 12.227 12.227
64 1HB GLU 9 HB2 GLU 9 -27.458 13.510 13.510
65 2HB GLU 9 HB1 GLU 9 -26.932 11.857 11.857
66 1HG GLU 9 HG2 GLU 9 -27.177 11.244 11.244
67 2HG GLU 9 HG1 GLU 9 -27.772 12.877 12.877
68 HA PRO 10 HA PRO 10 -22.759 13.603 13.603
69 1HB PRO 10 HB2 PRO 10 -20.304 13.761 13.761
70 2HB PRO 10 HB1 PRO 10 -21.509 15.103 15.103
71 1HG PRO 10 HG2 PRO 10 -20.733 13.236 13.236
72 2HG PRO 10 HG1 PRO 10 -21.035 14.994 14.994
73 1HD PRO 10 HD2 PRO 10 -22.680 12.798 12.798
74 2HD PRO 10 HD1 PRO 10 -23.252 14.451 14.451
75 H TRP 11 HN TRP 11 -23.455 10.903 10.903
76 HA TRP 11 HA TRP 11 -20.884 9.427 9.427
77 1HB TRP 11 HB2 TRP 11 -23.658 8.511 8.511
78 2HB TRP 11 HB1 TRP 11 -22.136 7.575 7.575
79 HD1 TRP 11 HD1 TRP 11 -23.313 10.786 10.786
80 HE1 TRP 11 HE1 TRP 11 -22.047 10.905 10.905
81 HE3 TRP 11 HE3 TRP 11 -20.369 6.641 6.641
82 HZ2 TRP 11 HZ2 TRP 11 -20.042 9.409 9.409
83 HZ3 TRP 11 HZ3 TRP 11 -18.802 6.022 6.022
84 HH2 TRP 11 HH2 TRP 11 -18.635 7.395 7.395
85 H ASN 12 HN ASN 12 -21.668 10.590 10.590
86 HA ASN 12 HA ASN 12 -22.713 8.295 8.295
87 1HB ASN 12 HB2 ASN 12 -23.759 10.399 10.399
88 2HB ASN 12 HB1 ASN 12 -24.599 9.535 9.535
89 1HD2 ASN 12 HD22 ASN 12 -24.237 12.139 12.139
90 2HD2 ASN 12 HD21 ASN 12 -24.350 10.454 10.454
91 H HIS 13 HN HIS 13 -21.054 7.750 7.750
92 HA HIS 13 HA HIS 13 -19.141 9.828 9.828
93 1HB HIS 13 HB2 HIS 13 -19.223 6.857 6.857
94 2HB HIS 13 HB1 HIS 13 -17.945 7.567 7.567
95 HD1 HIS 13 HD1 HIS 13 -16.496 6.477 6.477
96 HD2 HIS 13 HD2 HIS 13 -18.711 9.924 9.924
97 HE1 HIS 13 HE1 HIS 13 -15.531 7.498 7.498
98 HA PRO 14 HA PRO 14 -20.699 9.591 9.591
99 1HB PRO 14 HB2 PRO 14 -18.415 10.336 10.336
100 2HB PRO 14 HB1 PRO 14 -19.465 11.438 11.438
101 1HG PRO 14 HG2 PRO 14 -16.869 10.160 10.160
102 2HG PRO 14 HG1 PRO 14 -17.415 11.796 11.796
103 1HD PRO 14 HD2 PRO 14 -17.471 9.676 9.676
104 2HD PRO 14 HD1 PRO 14 -18.489 11.155 11.155
105 H GLY 15 HN GLY 15 -18.175 7.627 7.627
106 1HA GLY 15 HA2 GLY 15 -17.397 5.530 5.530
107 2HA GLY 15 HA1 GLY 15 -18.695 5.445 5.445
108 H SER 16 HN SER 16 -16.663 8.234 8.234
109 HA SER 16 HA SER 16 -14.896 7.040 7.040
110 1HB SER 16 HB2 SER 16 -17.053 9.060 9.060
111 2HB SER 16 HB1 SER 16 -15.527 9.361 9.361
112 HG SER 16 HG SER 16 -16.271 8.132 8.132
113 H GLN 17 HN GLN 17 -14.981 8.648 8.648
114 HA GLN 17 HA GLN 17 -12.546 10.243 10.243
115 1HB GLN 17 HB2 GLN 17 -15.116 11.143 11.143
116 2HB GLN 17 HB1 GLN 17 -13.470 11.717 11.717
117 1HG GLN 17 HG2 GLN 17 -13.631 13.138 13.138
118 2HG GLN 17 HG1 GLN 17 -13.637 11.736 11.736
119 1HE2 GLN 17 HE21 GLN 17 -15.745 10.971 10.971
120 2HE2 GLN 17 HE22 GLN 17 -17.139 11.944 11.944
121 HA PRO 18 HA PRO 18 -12.284 9.054 9.054
122 1HB PRO 18 HB2 PRO 18 -14.397 7.770 7.770
123 2HB PRO 18 HB1 PRO 18 -14.234 9.545 9.545
124 1HG PRO 18 HG2 PRO 18 -15.881 7.756 7.756
125 2HG PRO 18 HG1 PRO 18 -16.281 9.333 9.333
126 1HD PRO 18 HD2 PRO 18 -15.645 9.033 9.033
127 2HD PRO 18 HD1 PRO 18 -15.236 10.507 10.507
128 H LYS 19 HN LYS 19 -14.165 6.949 6.949
129 HA LYS 19 HA LYS 19 -12.908 4.472 4.472
130 1HB LYS 19 HB2 LYS 19 -14.741 5.126 5.126
131 2HB LYS 19 HB1 LYS 19 -14.403 3.467 3.467
132 1HG LYS 19 HG2 LYS 19 -15.571 5.616 5.616
133 2HG LYS 19 HG1 LYS 19 -16.579 4.421 4.421
134 1HD LYS 19 HD2 LYS 19 -15.207 2.621 2.621
135 2HD LYS 19 HD1 LYS 19 -14.491 3.900 3.900
136 1HE LYS 19 HE2 LYS 19 -16.864 4.568 4.568
137 2HE LYS 19 HE1 LYS 19 -17.409 3.067 3.067
138 1HZ LYS 19 HZ2 LYS 19 -15.288 3.260 3.260
139 2HZ LYS 19 HZ1 LYS 19 -16.879 2.736 2.736
140 3HZ LYS 19 HZ3 LYS 19 -15.854 1.828 1.828
141 H THR 20 HN THR 20 -12.924 6.463 6.463
142 HA THR 20 HA THR 20 -10.885 4.872 4.872
143 HB THR 20 HB THR 20 -11.930 7.683 7.683
144 HG1 THR 20 HG1 THR 20 -13.183 6.553 6.553
145 1HG2 THR 20 HG23 THR 20 -10.024 5.927 5.927
146 2HG2 THR 20 HG22 THR 20 -11.195 6.819 6.819
147 3HG2 THR 20 HG21 THR 20 -10.090 7.687 7.687
148 H ALA 21 HN ALA 21 -10.991 7.930 7.930
149 HA ALA 21 HA ALA 21 -9.329 9.190 9.190
150 1HB ALA 21 HB2 ALA 21 -9.087 6.928 6.928
151 2HB ALA 21 HB1 ALA 21 -7.804 6.581 6.581
152 3HB ALA 21 HB3 ALA 21 -7.605 7.882 7.882
153 H SER 22 HN SER 22 -8.992 8.205 8.205
154 HA SER 22 HA SER 22 -6.206 8.885 8.885
155 1HB SER 22 HB2 SER 22 -7.750 7.428 7.428
156 2HB SER 22 HB1 SER 22 -8.593 8.919 8.919
157 HG SER 22 HG SER 22 -7.118 8.756 8.756
158 H ASN 23 HN ASN 23 -9.283 10.550 10.550
159 HA ASN 23 HA ASN 23 -8.373 13.054 13.054
160 1HB ASN 23 HB2 ASN 23 -10.563 13.747 13.747
161 2HB ASN 23 HB1 ASN 23 -10.773 12.008 12.008
162 1HD2 ASN 23 HD22 ASN 23 -11.343 11.692 11.692
163 2HD2 ASN 23 HD21 ASN 23 -10.672 10.855 10.855
164 H ARG 24 HN ARG 24 -8.146 11.694 11.694
165 HA ARG 24 HA ARG 24 -6.701 14.118 14.118
166 1HB ARG 24 HB2 ARG 24 -8.185 14.222 14.222
167 2HB ARG 24 HB1 ARG 24 -8.939 14.652 14.652
168 1HG ARG 24 HG2 ARG 24 -9.662 12.104 12.104
169 2HG ARG 24 HG1 ARG 24 -9.322 12.249 12.249
170 1HD ARG 24 HD2 ARG 24 -10.913 14.480 14.480
171 2HD ARG 24 HD1 ARG 24 -11.739 12.907 12.907
172 HE ARG 24 HE ARG 24 -10.299 13.075 13.075
173 1HH1 ARG 24 HH21 ARG 24 -10.456 15.913 15.913
174 2HH1 ARG 24 HH22 ARG 24 -12.040 16.224 16.224
175 1HH2 ARG 24 HH11 ARG 24 -13.281 13.092 13.092
176 2HH2 ARG 24 HH12 ARG 24 -13.643 14.623 14.623
177 H ALA 25 HN ALA 25 -8.011 11.217 11.217
178 HA ALA 25 HA ALA 25 -6.909 9.520 9.520
179 1HB ALA 25 HB1 ALA 25 -5.269 10.282 10.282
180 2HB ALA 25 HB3 ALA 25 -4.281 9.675 9.675
181 3HB ALA 25 HB2 ALA 25 -5.576 8.679 8.679
182 H HIS 26 HN HIS 26 -7.083 11.919 11.919
183 HA HIS 26 HA HIS 26 -4.852 11.570 11.570
184 1HB HIS 26 HB2 HIS 26 -4.356 14.204 14.204
185 2HB HIS 26 HB1 HIS 26 -3.486 12.955 12.955
186 HD1 HIS 26 HD1 HIS 26 -3.038 14.735 14.735
187 HD2 HIS 26 HD2 HIS 26 -7.051 13.783 13.783
188 HE1 HIS 26 HE1 HIS 26 -4.291 15.665 15.665
189 H ALA 27 HN ALA 27 -7.107 14.273 14.273
190 HA ALA 27 HA ALA 27 -7.697 14.811 14.811
191 1HB ALA 27 HB2 ALA 27 -9.076 15.544 15.544
192 2HB ALA 27 HB1 ALA 27 -9.424 16.288 16.288
193 3HB ALA 27 HB3 ALA 27 -7.835 16.488 16.488
194 H LYS 28 HN LYS 28 -8.965 12.531 12.531
195 HA LYS 28 HA LYS 28 -11.620 12.173 12.173
196 1HB LYS 28 HB2 LYS 28 -11.157 11.268 11.268
197 2HB LYS 28 HB1 LYS 28 -9.595 10.630 10.630
198 1HG LYS 28 HG2 LYS 28 -11.756 9.368 9.368
199 2HG LYS 28 HG1 LYS 28 -12.138 9.320 9.320
200 1HD LYS 28 HD2 LYS 28 -9.608 8.289 8.289
201 2HD LYS 28 HD1 LYS 28 -10.898 7.336 7.336
202 1HE LYS 28 HE2 LYS 28 -10.375 8.215 8.215
203 2HE LYS 28 HE1 LYS 28 -9.150 9.299 9.299
204 1HZ LYS 28 HZ2 LYS 28 -8.151 7.266 7.266
205 2HZ LYS 28 HZ1 LYS 28 -9.149 6.345 6.345
206 3HZ LYS 28 HZ3 LYS 28 -7.991 7.390 7.390
207 H LYS 29 HN LYS 29 -8.824 9.973 9.973
208 HA LYS 29 HA LYS 29 -10.073 8.806 8.806
209 1HB LYS 29 HB2 LYS 29 -8.257 7.286 7.286
210 2HB LYS 29 HB1 LYS 29 -8.592 7.661 7.661
211 1HG LYS 29 HG2 LYS 29 -6.490 9.276 9.276
212 2HG LYS 29 HG1 LYS 29 -6.138 7.689 7.689
213 1HD LYS 29 HD2 LYS 29 -7.353 8.774 8.774
214 2HD LYS 29 HD1 LYS 29 -6.703 10.218 10.218
215 1HE LYS 29 HE2 LYS 29 -5.024 9.419 9.419
216 2HE LYS 29 HE1 LYS 29 -4.452 8.973 8.973
217 1HZ LYS 29 HZ3 LYS 29 -6.162 7.209 7.209
218 2HZ LYS 29 HZ2 LYS 29 -4.467 7.117 7.117
219 3HZ LYS 29 HZ1 LYS 29 -5.305 6.775 6.775
220 H SER 30 HN SER 30 -7.702 11.296 11.296
221 HA SER 30 HA SER 30 -6.204 12.485 12.485
222 1HB SER 30 HB2 SER 30 -8.987 12.998 12.998
223 2HB SER 30 HB1 SER 30 -8.328 13.269 13.269
224 HG SER 30 HG SER 30 -7.897 15.113 15.113
225 H ALA 31 HN ALA 31 -6.222 9.686 9.686
226 HA ALA 31 HA ALA 31 -5.713 8.384 8.384
227 1HB ALA 31 HB3 ALA 31 -3.747 9.825 9.825
228 2HB ALA 31 HB2 ALA 31 -4.404 11.029 11.029
229 3HB ALA 31 HB1 ALA 31 -3.913 9.448 9.448
230 H TYR 32 HN TYR 32 -8.351 9.185 9.185
231 HA TYR 32 HA TYR 32 -8.300 9.426 9.426
232 1HB TYR 32 HB2 TYR 32 -10.099 11.083 11.083
233 2HB TYR 32 HB1 TYR 32 -8.540 11.843 11.843
234 HD1 TYR 32 HD1 TYR 32 -8.689 11.110 11.110
235 HD2 TYR 32 HD2 TYR 32 -11.913 11.898 11.898
236 HE1 TYR 32 HE1 TYR 32 -10.142 11.673 11.673
237 HE2 TYR 32 HE2 TYR 32 -13.381 12.463 12.463
238 HH TYR 32 HH TYR 32 -13.105 11.612 11.612
239 H HIS 33 HN HIS 33 -8.911 7.263 7.263
240 HA HIS 33 HA HIS 33 -10.548 5.616 5.616
241 1HB HIS 33 HB2 HIS 33 -11.618 7.050 7.050
242 2HB HIS 33 HB1 HIS 33 -12.249 5.509 5.509
243 HD1 HIS 33 HD1 HIS 33 -10.672 3.444 3.444
244 HD2 HIS 33 HD2 HIS 33 -9.121 6.949 6.949
245 HE1 HIS 33 HE1 HIS 33 -8.679 2.757 2.757
246 H SER 34 HN SER 34 -10.890 8.541 8.541
247 HA SER 34 HA SER 34 -12.403 9.705 9.705
248 1HB SER 34 HB2 SER 34 -12.340 7.336 7.336
249 2HB SER 34 HB1 SER 34 -13.843 7.091 7.091
250 HG SER 34 HG SER 34 -13.367 8.489 8.489
251 H GLN 35 HN GLN 35 -15.351 8.312 8.312
252 HA GLN 35 HA GLN 35 -17.285 8.547 8.547
253 1HB GLN 35 HB2 GLN 35 -15.516 9.875 9.875
254 2HB GLN 35 HB1 GLN 35 -17.114 9.150 9.150
255 1HG GLN 35 HG2 GLN 35 -16.379 6.903 6.903
256 2HG GLN 35 HG1 GLN 35 -14.844 7.568 7.568
257 1HE2 GLN 35 HE22 GLN 35 -13.045 8.278 8.278
258 2HE2 GLN 35 HE21 GLN 35 -13.286 8.633 8.633
259 H VAL 36 HN VAL 36 -15.240 11.218 11.218
260 HA VAL 36 HA VAL 36 -15.701 13.483 13.483
261 HB VAL 36 HB VAL 36 -17.963 13.759 13.759
262 1HG1 VAL 36 HG12 VAL 36 -16.203 11.484 11.484
263 2HG1 VAL 36 HG11 VAL 36 -17.411 12.274 12.274
264 3HG1 VAL 36 HG13 VAL 36 -16.029 13.189 13.189
265 1HG2 VAL 36 HG21 VAL 36 -19.335 12.090 12.090
266 2HG2 VAL 36 HG23 VAL 36 -19.421 12.203 12.203
267 3HG2 VAL 36 HG22 VAL 36 -18.522 10.889 10.889
268 H ALA 37 HN ALA 37 -18.023 15.028 15.028
269 HA ALA 37 HA ALA 37 -17.979 15.423 15.423
270 1HB ALA 37 HB1 ALA 37 -19.324 16.815 16.815
271 2HB ALA 37 HB3 ALA 37 -19.449 17.383 17.383
272 3HB ALA 37 HB2 ALA 37 -17.879 17.341 17.341
273 H PHE 38 HN PHE 38 -19.066 13.395 13.395
274 HA PHE 38 HA PHE 38 -21.894 13.133 13.133
275 1HB PHE 38 HB2 PHE 38 -21.612 10.808 10.808
276 2HB PHE 38 HB1 PHE 38 -20.306 11.333 11.333
277 HD1 PHE 38 HD1 PHE 38 -18.097 11.535 11.535
278 HD2 PHE 38 HD2 PHE 38 -21.100 10.694 10.694
279 HE1 PHE 38 HE1 PHE 38 -16.339 10.965 10.965
280 HE2 PHE 38 HE2 PHE 38 -19.351 10.130 10.130
281 HZ PHE 38 HZ PHE 38 -16.967 10.260 10.260
282 H ILE 39 HN ILE 39 -22.354 11.619 11.619
283 HA ILE 39 HA ILE 39 -23.873 13.580 13.580
284 HB ILE 39 HB ILE 39 -24.087 11.909 11.909
285 1HG1 ILE 39 HG12 ILE 39 -22.202 9.952 9.952
286 2HG1 ILE 39 HG11 ILE 39 -21.336 11.373 11.373
287 1HG2 ILE 39 HG22 ILE 39 -24.460 11.387 11.387
288 2HG2 ILE 39 HG21 ILE 39 -23.785 9.911 9.911
289 3HG2 ILE 39 HG23 ILE 39 -25.265 10.598 10.598
290 1HD1 ILE 39 HD12 ILE 39 -22.577 11.366 11.366
291 2HD1 ILE 39 HD11 ILE 39 -23.292 9.825 9.825
292 3HD1 ILE 39 HD13 ILE 39 -21.548 9.955 9.955
293 H THR 40 HN THR 40 -20.408 12.883 12.883
294 HA THR 40 HA THR 40 -20.402 15.024 15.024
295 HB THR 40 HB THR 40 -18.759 12.469 12.469
296 HG1 THR 40 HG1 THR 40 -20.275 11.670 11.670
297 1HG2 THR 40 HG22 THR 40 -18.538 14.951 14.951
298 2HG2 THR 40 HG21 THR 40 -18.434 13.455 13.455
299 3HG2 THR 40 HG23 THR 40 -17.309 13.750 13.750
300 H LYS 41 HN LYS 41 -18.587 16.408 16.408
301 HA LYS 41 HA LYS 41 -17.287 16.810 16.810
302 1HB LYS 41 HB2 LYS 41 -17.067 18.007 18.007
303 2HB LYS 41 HB1 LYS 41 -16.065 18.570 18.570
304 1HG LYS 41 HG2 LYS 41 -19.020 18.311 18.311
305 2HG LYS 41 HG1 LYS 41 -18.414 19.710 19.710
306 1HD LYS 41 HD2 LYS 41 -18.419 20.479 20.479
307 2HD LYS 41 HD1 LYS 41 -16.760 19.942 19.942
308 1HE LYS 41 HE2 LYS 41 -18.360 17.650 17.650
309 2HE LYS 41 HE1 LYS 41 -18.653 19.034 19.034
310 1HZ LYS 41 HZ2 LYS 41 -15.946 18.317 18.317
311 2HZ LYS 41 HZ1 LYS 41 -16.632 17.545 17.545
312 3HZ LYS 41 HZ3 LYS 41 -16.383 19.221 19.221
313 H GLY 42 HN GLY 42 -14.810 16.986 16.986
314 1HA GLY 42 HA2 GLY 42 -12.654 16.151 16.151
315 2HA GLY 42 HA1 GLY 42 -13.383 15.069 15.069
316 H LEU 43 HN LEU 43 -15.426 14.399 14.399
317 HA LEU 43 HA LEU 43 -15.641 12.867 12.867
318 1HB LEU 43 HB2 LEU 43 -12.664 13.555 13.555
319 2HB LEU 43 HB1 LEU 43 -13.756 12.629 12.629
320 HG LEU 43 HG LEU 43 -15.190 14.430 14.430
321 1HD1 LEU 43 HD11 LEU 43 -13.648 16.096 16.096
322 2HD1 LEU 43 HD13 LEU 43 -14.713 16.757 16.757
323 3HD1 LEU 43 HD12 LEU 43 -15.370 15.714 15.714
324 1HD2 LEU 43 HD22 LEU 43 -12.173 14.865 14.865
325 2HD2 LEU 43 HD21 LEU 43 -13.220 14.563 14.563
326 3HD2 LEU 43 HD23 LEU 43 -13.189 16.157 16.157
327 H GLY 44 HN GLY 44 -15.346 11.759 11.759
328 1HA GLY 44 HA2 GLY 44 -14.920 9.612 9.612
329 2HA GLY 44 HA1 GLY 44 -14.469 9.091 9.091
330 H ILE 45 HN ILE 45 -12.622 11.789 11.789
331 HA ILE 45 HA ILE 45 -10.163 10.395 10.395
332 HB ILE 45 HB ILE 45 -9.396 12.484 12.484
333 1HG1 ILE 45 HG12 ILE 45 -11.498 14.183 14.183
334 2HG1 ILE 45 HG11 ILE 45 -12.314 12.809 12.809
335 1HG2 ILE 45 HG21 ILE 45 -10.693 12.419 12.419
336 2HG2 ILE 45 HG23 ILE 45 -10.057 13.943 13.943
337 3HG2 ILE 45 HG22 ILE 45 -8.985 12.558 12.558
338 1HD1 ILE 45 HD13 ILE 45 -10.195 13.189 13.189
339 2HD1 ILE 45 HD12 ILE 45 -10.292 14.811 14.811
340 3HD1 ILE 45 HD11 ILE 45 -11.677 14.131 14.131
341 H SER 46 HN SER 46 -11.898 11.591 11.591
342 HA SER 46 HA SER 46 -11.447 9.181 9.181
343 1HB SER 46 HB2 SER 46 -9.056 10.327 10.327
344 2HB SER 46 HB1 SER 46 -9.592 11.380 11.380
345 HG SER 46 HG SER 46 -8.790 9.802 9.802
346 H TYR 47 HN TYR 47 -13.539 11.317 11.317
347 HA TYR 47 HA TYR 47 -13.593 12.805 12.805
348 1HB TYR 47 HB2 TYR 47 -15.771 13.572 13.572
349 2HB TYR 47 HB1 TYR 47 -14.580 13.585 13.585
350 HD1 TYR 47 HD1 TYR 47 -17.361 11.587 11.587
351 HD2 TYR 47 HD2 TYR 47 -14.802 12.262 12.262
352 HE1 TYR 47 HE1 TYR 47 -18.737 10.041 10.041
353 HE2 TYR 47 HE2 TYR 47 -16.166 10.728 10.728
354 HH TYR 47 HH TYR 47 -19.216 9.466 9.466
355 H GLY 48 HN GLY 48 -14.663 9.658 9.658
356 1HA GLY 48 HA2 GLY 48 -15.189 8.067 8.067
357 2HA GLY 48 HA1 GLY 48 -16.284 9.308 9.308
358 H ARG 49 HN ARG 49 -15.618 7.532 7.532
359 HA ARG 49 HA ARG 49 -18.211 7.957 7.957
360 1HB ARG 49 HB2 ARG 49 -16.103 5.851 5.851
361 2HB ARG 49 HB1 ARG 49 -17.372 6.351 6.351
362 1HG ARG 49 HG2 ARG 49 -16.265 8.334 8.334
363 2HG ARG 49 HG1 ARG 49 -15.423 8.404 8.404
364 1HD ARG 49 HD2 ARG 49 -13.812 7.829 7.829
365 2HD ARG 49 HD1 ARG 49 -14.160 6.318 6.318
366 HE ARG 49 HE ARG 49 -15.979 6.835 6.835
367 1HH1 ARG 49 HH21 ARG 49 -15.993 4.178 4.178
368 2HH1 ARG 49 HH22 ARG 49 -14.624 3.558 3.558
369 1HH2 ARG 49 HH11 ARG 49 -12.909 6.579 6.579
370 2HH2 ARG 49 HH12 ARG 49 -12.874 4.920 4.920
371 H LYS 50 HN LYS 50 -19.788 6.225 6.225
372 HA LYS 50 HA LYS 50 -19.930 4.138 4.138
373 1HB LYS 50 HB2 LYS 50 -22.399 4.555 4.555
374 2HB LYS 50 HB1 LYS 50 -21.464 5.921 5.921
375 1HG LYS 50 HG2 LYS 50 -21.939 5.847 5.847
376 2HG LYS 50 HG1 LYS 50 -23.381 6.038 6.038
377 1HD LYS 50 HD2 LYS 50 -20.902 7.794 7.794
378 2HD LYS 50 HD1 LYS 50 -22.417 8.217 8.217
379 1HE LYS 50 HE2 LYS 50 -23.455 7.611 7.611
380 2HE LYS 50 HE1 LYS 50 -21.790 7.965 7.965
381 1HZ LYS 50 HZ3 LYS 50 -21.899 10.034 10.034
382 2HZ LYS 50 HZ2 LYS 50 -23.527 9.715 9.715
383 3HZ LYS 50 HZ1 LYS 50 -23.061 10.007 10.007
384 H LYS 51 HN LYS 51 -19.662 4.597 4.597
385 HA LYS 51 HA LYS 51 -19.787 3.079 3.079
386 1HB LYS 51 HB2 LYS 51 -20.818 1.101 1.101
387 2HB LYS 51 HB1 LYS 51 -20.276 0.765 0.765
388 1HG LYS 51 HG2 LYS 51 -18.281 2.379 2.379
389 2HG LYS 51 HG1 LYS 51 -18.626 0.821 0.821
390 1HD LYS 51 HD2 LYS 51 -16.851 0.450 0.450
391 2HD LYS 51 HD1 LYS 51 -18.290 -0.210 -0.210
392 1HE LYS 51 HE2 LYS 51 -18.402 1.546 1.546
393 2HE LYS 51 HE1 LYS 51 -17.486 2.662 2.662
394 1HZ LYS 51 HZ1 LYS 51 -16.404 0.154 0.154
395 2HZ LYS 51 HZ3 LYS 51 -16.126 1.709 1.709
396 3HZ LYS 51 HZ2 LYS 51 -15.532 1.288 1.288
397 H ARG 52 HN ARG 52 -22.681 2.719 2.719
398 HA ARG 52 HA ARG 52 -24.414 2.277 2.277
399 1HB ARG 52 HB2 ARG 52 -25.316 2.831 2.831
400 2HB ARG 52 HB1 ARG 52 -26.070 1.811 1.811
401 1HG ARG 52 HG2 ARG 52 -23.625 1.304 1.304
402 2HG ARG 52 HG1 ARG 52 -25.080 0.303 0.303
403 1HD ARG 52 HD2 ARG 52 -22.892 0.594 0.594
404 2HD ARG 52 HD1 ARG 52 -23.341 -0.840 -0.840
405 HE ARG 52 HE ARG 52 -24.863 0.321 0.321
406 1HH1 ARG 52 HH21 ARG 52 -27.137 0.064 0.064
407 2HH1 ARG 52 HH22 ARG 52 -27.513 -1.625 -1.625
408 1HH2 ARG 52 HH11 ARG 52 -24.359 -2.633 -2.633
409 2HH2 ARG 52 HH12 ARG 52 -25.939 -3.155 -3.155
410 H ARG 53 HN ARG 53 -22.956 4.999 4.999
411 HA ARG 53 HA ARG 53 -24.958 6.977 6.977
412 1HB ARG 53 HB2 ARG 53 -23.170 8.479 8.479
413 2HB ARG 53 HB1 ARG 53 -22.606 7.312 7.312
414 1HG ARG 53 HG2 ARG 53 -21.208 6.294 6.294
415 2HG ARG 53 HG1 ARG 53 -22.414 6.145 6.145
416 1HD ARG 53 HD2 ARG 53 -21.994 8.620 8.620
417 2HD ARG 53 HD1 ARG 53 -20.556 8.446 8.446
418 HE ARG 53 HE ARG 53 -20.969 7.159 7.159
419 1HH1 ARG 53 HH11 ARG 53 -20.238 4.877 4.877
420 2HH1 ARG 53 HH12 ARG 53 -18.507 4.930 4.930
421 1HH2 ARG 53 HH21 ARG 53 -18.326 8.218 8.218
422 2HH2 ARG 53 HH22 ARG 53 -17.422 6.828 6.828
423 H GLN 54 HN GLN 54 -24.211 5.129 5.129
424 HA GLN 54 HA GLN 54 -25.242 7.062 7.062
425 1HB GLN 54 HB2 GLN 54 -24.821 4.055 4.055
426 2HB GLN 54 HB1 GLN 54 -24.902 5.246 5.246
427 1HG GLN 54 HG2 GLN 54 -22.863 6.313 6.313
428 2HG GLN 54 HG1 GLN 54 -22.755 5.314 5.314
429 1HE2 GLN 54 HE22 GLN 54 -21.885 2.315 2.315
430 2HE2 GLN 54 HE21 GLN 54 -22.906 2.792 2.792
431 H ARG 55 HN ARG 55 -26.508 4.226 4.226
432 HA ARG 55 HA ARG 55 -28.708 3.413 3.413
433 1HB ARG 55 HB2 ARG 55 -29.109 6.379 6.379
434 2HB ARG 55 HB1 ARG 55 -30.438 5.297 5.297
435 1HG ARG 55 HG2 ARG 55 -29.192 4.601 4.601
436 2HG ARG 55 HG1 ARG 55 -28.036 5.880 5.880
437 1HD ARG 55 HD2 ARG 55 -29.570 6.929 6.929
438 2HD ARG 55 HD1 ARG 55 -30.111 7.454 7.454
439 HE ARG 55 HE ARG 55 -31.337 4.931 4.931
440 1HH1 ARG 55 HH11 ARG 55 -32.543 7.586 7.586
441 2HH1 ARG 55 HH12 ARG 55 -33.705 7.926 7.926
442 1HH2 ARG 55 HH21 ARG 55 -32.344 5.667 5.667
443 2HH2 ARG 55 HH22 ARG 55 -33.593 6.836 6.836
444 H ARG 56 HN ARG 56 -27.407 3.442 3.442
445 HA ARG 56 HA ARG 56 -29.771 2.546 2.546
446 1HB ARG 56 HB2 ARG 56 -29.705 4.237 4.237
447 2HB ARG 56 HB1 ARG 56 -29.616 5.094 5.094
448 1HG ARG 56 HG2 ARG 56 -26.939 4.642 4.642
449 2HG ARG 56 HG1 ARG 56 -27.585 4.829 4.829
450 1HD ARG 56 HD2 ARG 56 -28.310 6.716 6.716
451 2HD ARG 56 HD1 ARG 56 -26.784 6.910 6.910
452 HE ARG 56 HE ARG 56 -29.576 7.177 7.177
453 1HH1 ARG 56 HH21 ARG 56 -28.926 5.940 5.940
454 2HH1 ARG 56 HH22 ARG 56 -27.835 6.943 6.943
455 1HH2 ARG 56 HH11 ARG 56 -26.978 8.910 8.910
456 2HH2 ARG 56 HH12 ARG 56 -26.727 8.628 8.628
457 H ARG 57 HN ARG 57 -27.391 1.242 1.242
458 HA ARG 57 HA ARG 57 -25.248 1.063 1.063
459 1HB ARG 57 HB2 ARG 57 -25.527 0.083 0.083
460 2HB ARG 57 HB1 ARG 57 -26.480 -1.231 -1.231
461 1HG ARG 57 HG2 ARG 57 -24.432 -2.222 -2.222
462 2HG ARG 57 HG1 ARG 57 -24.352 -1.344 -1.344
463 1HD ARG 57 HD2 ARG 57 -23.235 0.501 0.501
464 2HD ARG 57 HD1 ARG 57 -23.282 -0.311 -0.311
465 HE ARG 57 HE ARG 57 -21.963 -1.605 -1.605
466 1HH1 ARG 57 HH21 ARG 57 -21.560 -3.534 -3.534
467 2HH1 ARG 57 HH22 ARG 57 -20.261 -3.046 -3.046
468 1HH2 ARG 57 HH11 ARG 57 -20.452 0.307 0.307
469 2HH2 ARG 57 HH12 ARG 57 -19.632 -0.865 -0.865
470 HA PRO 58 HA PRO 58 -27.622 -2.200 -2.200
471 1HB PRO 58 HB2 PRO 58 -30.227 -2.796 -2.796
472 2HB PRO 58 HB1 PRO 58 -28.843 -3.555 -3.555
473 1HG PRO 58 HG2 PRO 58 -30.682 -1.484 -1.484
474 2HG PRO 58 HG1 PRO 58 -29.767 -2.711 -2.711
475 1HD PRO 58 HD2 PRO 58 -29.171 0.021 0.021
476 2HD PRO 58 HD1 PRO 58 -28.162 -1.223 -1.223
477 H SER 59 HN SER 59 -28.445 0.949 0.949
478 HA SER 59 HA SER 59 -30.419 0.932 0.932
479 1HB SER 59 HB2 SER 59 -29.972 2.752 2.752
480 2HB SER 59 HB1 SER 59 -30.994 3.226 3.226
481 HG SER 59 HG SER 59 -31.463 1.418 1.418
482 H GLN 60 HN GLN 60 -29.715 1.833 1.833
483 HA GLN 60 HA GLN 60 -27.493 3.829 3.829
484 1HB GLN 60 HB2 GLN 60 -27.790 1.330 1.330
485 2HB GLN 60 HB1 GLN 60 -26.698 2.698 2.698
486 1HG GLN 60 HG2 GLN 60 -25.285 2.275 2.275
487 2HG GLN 60 HG1 GLN 60 -26.469 1.625 1.625
488 1HE2 GLN 60 HE22 GLN 60 -25.896 -1.738 -1.738
489 2HE2 GLN 60 HE21 GLN 60 -26.701 -0.675 -0.675
490 H GLY 61 HN GLY 61 -29.056 2.392 2.392
491 1HA GLY 61 HA2 GLY 61 -30.792 3.282 3.282
492 2HA GLY 61 HA1 GLY 61 -30.740 4.783 4.783
493 H GLY 62 HN GLY 62 -28.291 2.889 2.889
494 1HA GLY 62 HA2 GLY 62 -26.652 3.618 3.618
495 2HA GLY 62 HA1 GLY 62 -27.825 4.843 4.843
496 H GLN 63 HN GLN 63 -26.813 4.554 4.554
497 HA GLN 63 HA GLN 63 -25.981 7.321 7.321
498 1HB GLN 63 HB2 GLN 63 -27.196 6.103 6.103
499 2HB GLN 63 HB1 GLN 63 -25.695 5.141 5.141
500 1HG GLN 63 HG2 GLN 63 -25.145 6.442 6.442
501 2HG GLN 63 HG1 GLN 63 -24.539 7.479 7.479
502 1HE2 GLN 63 HE22 GLN 63 -27.423 9.754 9.754
503 2HE2 GLN 63 HE21 GLN 63 -26.489 8.950 8.950
504 H THR 64 HN THR 64 -24.339 4.183 4.183
505 HA THR 64 HA THR 64 -22.060 3.640 3.640
506 HB THR 64 HB THR 64 -21.708 6.574 6.574
507 HG1 THR 64 HG1 THR 64 -22.865 6.251 6.251
508 1HG2 THR 64 HG23 THR 64 -19.725 4.976 4.976
509 2HG2 THR 64 HG22 THR 64 -20.232 4.234 4.234
510 3HG2 THR 64 HG21 THR 64 -19.744 5.928 5.928
511 H HIS 65 HN HIS 65 -22.707 3.662 3.662
512 HA HIS 65 HA HIS 65 -21.646 5.699 5.699
513 1HB HIS 65 HB2 HIS 65 -22.920 3.069 3.069
514 2HB HIS 65 HB1 HIS 65 -21.840 3.378 3.378
515 HD1 HIS 65 HD1 HIS 65 -25.139 3.148 3.148
516 HD2 HIS 65 HD2 HIS 65 -22.949 6.627 6.627
517 HE1 HIS 65 HE1 HIS 65 -26.790 4.897 4.897
518 H GLN 66 HN GLN 66 -20.040 4.642 4.642
519 HA GLN 66 HA GLN 66 -17.740 3.384 3.384
520 1HB GLN 66 HB2 GLN 66 -16.286 5.091 5.091
521 2HB GLN 66 HB1 GLN 66 -17.395 5.699 5.699
522 1HG GLN 66 HG2 GLN 66 -18.949 5.894 5.894
523 2HG GLN 66 HG1 GLN 66 -17.347 6.529 6.529
524 1HE2 GLN 66 HE22 GLN 66 -19.912 8.233 8.233
525 2HE2 GLN 66 HE21 GLN 66 -20.178 6.644 6.644
526 H ASP 67 HN ASP 67 -18.733 4.420 4.420
527 HA ASP 67 HA ASP 67 -17.214 2.256 2.256
528 1HB ASP 67 HB2 ASP 67 -17.415 4.480 4.480
529 2HB ASP 67 HB1 ASP 67 -19.178 4.298 4.298
530 HA PRO 68 HA PRO 68 -21.640 0.703 0.703
531 1HB PRO 68 HB2 PRO 68 -23.695 1.500 1.500
532 2HB PRO 68 HB1 PRO 68 -23.212 2.353 2.353
533 1HG PRO 68 HG2 PRO 68 -22.696 2.988 2.988
534 2HG PRO 68 HG1 PRO 68 -22.936 4.099 4.099
535 1HD PRO 68 HD2 PRO 68 -20.494 3.456 3.456
536 2HD PRO 68 HD1 PRO 68 -20.710 4.185 4.185
537 H ILE 69 HN ILE 69 -20.846 1.114 1.114
538 HA ILE 69 HA ILE 69 -21.458 -1.800 -1.800
539 HB ILE 69 HB ILE 69 -22.884 -1.446 -1.446
540 1HG1 ILE 69 HG12 ILE 69 -21.582 -0.357 -0.357
541 2HG1 ILE 69 HG11 ILE 69 -22.869 0.788 0.788
542 1HG2 ILE 69 HG22 ILE 69 -23.750 -0.223 -0.223
543 2HG2 ILE 69 HG21 ILE 69 -23.101 1.268 1.268
544 3HG2 ILE 69 HG23 ILE 69 -24.376 0.392 0.392
545 1HD1 ILE 69 HD11 ILE 69 -21.312 1.804 1.804
546 2HD1 ILE 69 HD13 ILE 69 -20.024 1.002 1.002
547 3HD1 ILE 69 HD12 ILE 69 -21.064 2.174 2.174
548 HA PRO 70 HA PRO 70 -17.302 -0.345 -0.345
549 1HB PRO 70 HB2 PRO 70 -15.686 -1.582 -1.582
550 2HB PRO 70 HB1 PRO 70 -16.121 0.150 0.150
551 1HG PRO 70 HG2 PRO 70 -17.250 -2.276 -2.276
552 2HG PRO 70 HG1 PRO 70 -16.928 -0.665 -0.665
553 1HD PRO 70 HD2 PRO 70 -19.408 -1.433 -1.433
554 2HD PRO 70 HD1 PRO 70 -18.856 0.251 0.251
555 H LYS 71 HN LYS 71 -18.848 -3.186 -3.186
556 HA LYS 71 HA LYS 71 -17.057 -5.223 -5.223
557 1HB LYS 71 HB2 LYS 71 -19.182 -6.600 -6.600
558 2HB LYS 71 HB1 LYS 71 -18.790 -5.712 -5.712
559 1HG LYS 71 HG2 LYS 71 -20.438 -3.929 -3.929
560 2HG LYS 71 HG1 LYS 71 -21.130 -5.538 -5.538
561 1HD LYS 71 HD2 LYS 71 -22.084 -4.382 -4.382
562 2HD LYS 71 HD1 LYS 71 -21.266 -5.837 -5.837
563 1HE LYS 71 HE2 LYS 71 -19.312 -4.400 -4.400
564 2HE LYS 71 HE1 LYS 71 -20.151 -2.980 -2.980
565 1HZ LYS 71 HZ1 LYS 71 -21.225 -4.827 -4.827
566 2HZ LYS 71 HZ3 LYS 71 -20.574 -3.290 -3.290
567 3HZ LYS 71 HZ2 LYS 71 -22.006 -3.442 -3.442
568 H GLN 72 HN GLN 72 -19.772 -3.484 -3.484
569 HA GLN 72 HA GLN 72 -18.697 -4.081 -4.081
570 1HB GLN 72 HB2 GLN 72 -21.258 -5.006 -5.006
571 2HB GLN 72 HB1 GLN 72 -19.855 -6.041 -6.041
572 1HG GLN 72 HG2 GLN 72 -21.379 -6.816 -6.816
573 2HG GLN 72 HG1 GLN 72 -20.496 -5.783 -5.783
574 1HE2 GLN 72 HE22 GLN 72 -23.379 -3.439 -3.439
575 2HE2 GLN 72 HE21 GLN 72 -21.685 -3.435 -3.435
576 HA PRO 73 HA PRO 73 -20.804 -0.333 -0.333
577 1HB PRO 73 HB2 PRO 73 -21.860 -0.779 -0.779
578 2HB PRO 73 HB1 PRO 73 -20.117 -0.486 -0.486
579 1HG PRO 73 HG2 PRO 73 -21.538 -3.121 -3.121
580 2HG PRO 73 HG1 PRO 73 -20.038 -2.586 -2.586
581 1HD PRO 73 HD2 PRO 73 -20.046 -4.197 -4.197
582 2HD PRO 73 HD1 PRO 73 -18.812 -2.926 -2.926
583 H SER 74 HN SER 74 -22.730 -3.180 -3.180
584 HA SER 74 HA SER 74 -25.019 -3.684 -3.684
585 1HB SER 74 HB2 SER 74 -23.663 -3.430 -3.430
586 2HB SER 74 HB1 SER 74 -24.848 -2.268 -2.268
587 HG SER 74 HG SER 74 -25.753 -4.156 -4.156
588 H SER 75 HN SER 75 -24.717 -1.314 -1.314
589 HA SER 75 HA SER 75 -27.258 -0.116 -0.116
590 1HB SER 75 HB2 SER 75 -25.506 0.789 0.789
591 2HB SER 75 HB1 SER 75 -25.952 2.133 2.133
592 HG SER 75 HG SER 75 -27.571 0.497 0.497
593 H GLN 76 HN GLN 76 -23.783 0.491 0.491
594 HA GLN 76 HA GLN 76 -24.138 2.558 2.558
595 1HB GLN 76 HB2 GLN 76 -21.783 0.887 0.887
596 2HB GLN 76 HB1 GLN 76 -21.669 2.156 2.156
597 1HG GLN 76 HG2 GLN 76 -21.274 3.505 3.505
598 2HG GLN 76 HG1 GLN 76 -23.030 3.501 3.501
599 1HE2 GLN 76 HE22 GLN 76 -23.054 1.646 1.646
600 2HE2 GLN 76 HE21 GLN 76 -23.983 2.382 2.382
601 HA PRO 77 HA PRO 77 -22.914 -1.008 -1.008
602 1HB PRO 77 HB2 PRO 77 -23.111 -3.596 -3.596
603 2HB PRO 77 HB1 PRO 77 -21.606 -2.647 -2.647
604 1HG PRO 77 HG2 PRO 77 -23.702 -3.191 -3.191
605 2HG PRO 77 HG1 PRO 77 -21.945 -3.115 -3.115
606 1HD PRO 77 HD2 PRO 77 -23.617 -1.165 -1.165
607 2HD PRO 77 HD1 PRO 77 -21.931 -0.858 -0.858
608 H ARG 78 HN ARG 78 -25.580 -1.080 -1.080
609 HA ARG 78 HA ARG 78 -27.342 -2.087 -2.087
610 1HB ARG 78 HB2 ARG 78 -28.359 -3.676 -3.676
611 2HB ARG 78 HB1 ARG 78 -26.559 -3.788 -3.788
612 1HG ARG 78 HG2 ARG 78 -26.496 -2.293 -2.293
613 2HG ARG 78 HG1 ARG 78 -28.249 -2.337 -2.337
614 1HD ARG 78 HD2 ARG 78 -26.709 -4.930 -4.930
615 2HD ARG 78 HD1 ARG 78 -26.819 -4.029 -4.029
616 HE ARG 78 HE ARG 78 -29.404 -3.974 -3.974
617 1HH1 ARG 78 HH21 ARG 78 -29.729 -5.949 -5.949
618 2HH1 ARG 78 HH22 ARG 78 -29.745 -7.462 -7.462
619 1HH2 ARG 78 HH11 ARG 78 -28.290 -6.178 -6.178
620 2HH2 ARG 78 HH12 ARG 78 -28.929 -7.592 -7.592
621 H GLY 79 HN GLY 79 -26.916 0.670 0.670
622 1HA GLY 79 HA2 GLY 79 -29.728 1.337 1.337
623 2HA GLY 79 HA1 GLY 79 -28.665 1.670 1.670
624 H ASP 80 HN ASP 80 -27.657 3.628 3.628
625 HA ASP 80 HA ASP 80 -28.100 5.496 5.496
626 1HB ASP 80 HB2 ASP 80 -28.084 6.122 6.122
627 2HB ASP 80 HB1 ASP 80 -26.378 5.633 5.633
628 HA PRO 81 HA PRO 81 -24.411 4.433 4.433
629 1HB PRO 81 HB2 PRO 81 -24.369 6.594 6.594
630 2HB PRO 81 HB1 PRO 81 -25.489 5.235 5.235
631 1HG PRO 81 HG2 PRO 81 -25.965 7.918 7.918
632 2HG PRO 81 HG1 PRO 81 -27.002 6.960 6.960
633 1HD PRO 81 HD2 PRO 81 -27.364 7.110 7.110
634 2HD PRO 81 HD1 PRO 81 -27.824 5.691 5.691
635 H THR 82 HN THR 82 -23.025 4.792 4.792
636 HA THR 82 HA THR 82 -22.134 7.403 7.403
637 HB THR 82 HB THR 82 -20.220 5.872 5.872
638 HG1 THR 82 HG1 THR 82 -20.304 3.997 3.997
639 1HG2 THR 82 HG23 THR 82 -22.565 6.680 6.680
640 2HG2 THR 82 HG22 THR 82 -22.910 4.953 4.953
641 3HG2 THR 82 HG21 THR 82 -21.540 5.534 5.534
642 H GLY 83 HN GLY 83 -20.455 4.877 4.877
643 1HA GLY 83 HA2 GLY 83 -19.368 6.675 6.675
644 2HA GLY 83 HA1 GLY 83 -18.256 6.526 6.526
645 HA PRO 84 HA PRO 84 -17.226 2.659 2.659
646 1HB PRO 84 HB2 PRO 84 -14.940 2.258 2.258
647 2HB PRO 84 HB1 PRO 84 -15.064 3.483 3.483
648 1HG PRO 84 HG2 PRO 84 -14.844 3.875 3.875
649 2HG PRO 84 HG1 PRO 84 -14.850 5.140 5.140
650 1HD PRO 84 HD2 PRO 84 -17.036 4.093 4.093
651 2HD PRO 84 HD1 PRO 84 -16.917 5.702 5.702
652 H LYS 85 HN LYS 85 -18.704 2.816 2.816
653 HA LYS 85 HA LYS 85 -17.903 0.178 0.178
654 1HB LYS 85 HB2 LYS 85 -20.087 2.118 2.118
655 2HB LYS 85 HB1 LYS 85 -19.486 0.773 0.773
656 1HG LYS 85 HG2 LYS 85 -17.861 3.194 3.194
657 2HG LYS 85 HG1 LYS 85 -18.467 2.885 2.885
658 1HD LYS 85 HD2 LYS 85 -16.535 1.085 1.085
659 2HD LYS 85 HD1 LYS 85 -16.076 2.261 2.261
660 1HE LYS 85 HE2 LYS 85 -17.379 1.090 1.090
661 2HE LYS 85 HE1 LYS 85 -17.981 -0.059 -0.059
662 1HZ LYS 85 HZ2 LYS 85 -15.699 -0.673 -0.673
663 2HZ LYS 85 HZ1 LYS 85 -15.119 0.398 0.398
664 3HZ LYS 85 HZ3 LYS 85 -16.032 -0.956 -0.956
665 H GLU 86 HN GLU 86 -19.840 1.101 1.101
666 HA GLU 86 HA GLU 86 -22.207 -0.519 -0.519
667 1HB GLU 86 HB2 GLU 86 -20.948 0.717 0.717
668 2HB GLU 86 HB1 GLU 86 -22.590 0.022 0.022
669 1HG GLU 86 HG2 GLU 86 -23.087 1.638 1.638
670 2HG GLU 86 HG1 GLU 86 -21.470 2.353 2.353
Start of MODEL 2
1 1H LEU 1 HT2 LEU 1 -22.010 21.188 21.188
2 2H LEU 1 HT1 LEU 1 -20.851 21.683 21.683
3 3H LEU 1 HT3 LEU 1 -22.498 21.720 21.720
4 HA LEU 1 HA LEU 1 -21.629 19.809 19.809
5 1HB LEU 1 HB2 LEU 1 -20.195 18.262 18.262
6 2HB LEU 1 HB1 LEU 1 -19.555 19.903 19.903
7 HG LEU 1 HG LEU 1 -21.421 19.446 19.446
8 1HD1 LEU 1 HD11 LEU 1 -20.957 17.025 17.025
9 2HD1 LEU 1 HD13 LEU 1 -19.279 17.324 17.324
10 3HD1 LEU 1 HD12 LEU 1 -20.559 17.524 17.524
11 1HD2 LEU 1 HD23 LEU 1 -19.065 20.744 20.744
12 2HD2 LEU 1 HD22 LEU 1 -19.800 20.398 20.398
13 3HD2 LEU 1 HD21 LEU 1 -18.541 19.339 19.339
14 H ASP 2 HN ASP 2 -22.366 17.471 17.471
15 HA ASP 2 HA ASP 2 -24.197 16.041 16.041
16 1HB ASP 2 HB2 ASP 2 -22.805 16.318 16.318
17 2HB ASP 2 HB1 ASP 2 -24.254 17.205 17.205
18 HA PRO 3 HA PRO 3 -27.332 19.473 19.473
19 1HB PRO 3 HB2 PRO 3 -27.692 19.826 19.826
20 2HB PRO 3 HB1 PRO 3 -26.467 20.694 20.694
21 1HG PRO 3 HG2 PRO 3 -26.121 18.472 18.472
22 2HG PRO 3 HG1 PRO 3 -24.989 19.727 19.727
23 1HD PRO 3 HD2 PRO 3 -25.214 17.016 17.016
24 2HD PRO 3 HD1 PRO 3 -24.005 18.215 18.215
25 H VAL 4 HN VAL 4 -27.875 17.802 17.802
26 HA VAL 4 HA VAL 4 -30.382 16.602 16.602
27 HB VAL 4 HB VAL 4 -28.580 16.561 16.561
28 1HG1 VAL 4 HG13 VAL 4 -31.033 14.820 14.820
29 2HG1 VAL 4 HG12 VAL 4 -30.335 15.229 15.229
30 3HG1 VAL 4 HG11 VAL 4 -29.400 14.293 14.293
31 1HG2 VAL 4 HG22 VAL 4 -31.323 17.577 17.577
32 2HG2 VAL 4 HG21 VAL 4 -29.962 18.451 18.451
33 3HG2 VAL 4 HG23 VAL 4 -30.885 17.320 17.320
34 H ASP 5 HN ASP 5 -27.231 15.388 15.388
35 HA ASP 5 HA ASP 5 -27.074 13.377 13.377
36 1HB ASP 5 HB2 ASP 5 -27.948 12.757 12.757
37 2HB ASP 5 HB1 ASP 5 -26.686 11.681 11.681
38 HA PRO 6 HA PRO 6 -22.986 13.952 13.952
39 1HB PRO 6 HB2 PRO 6 -22.763 13.841 13.841
40 2HB PRO 6 HB1 PRO 6 -22.930 12.386 12.386
41 1HG PRO 6 HG2 PRO 6 -24.859 13.576 13.576
42 2HG PRO 6 HG1 PRO 6 -24.865 11.965 11.965
43 1HD PRO 6 HD2 PRO 6 -26.265 14.382 14.382
44 2HD PRO 6 HD1 PRO 6 -26.518 12.665 12.665
45 H ASN 7 HN ASN 7 -21.817 15.629 15.629
46 HA ASN 7 HA ASN 7 -22.983 18.218 18.218
47 1HB ASN 7 HB2 ASN 7 -20.700 17.309 17.309
48 2HB ASN 7 HB1 ASN 7 -21.080 19.016 19.016
49 1HD2 ASN 7 HD22 ASN 7 -18.867 17.077 17.077
50 2HD2 ASN 7 HD21 ASN 7 -19.121 16.534 16.534
51 H ILE 8 HN ILE 8 -22.515 16.488 16.488
52 HA ILE 8 HA ILE 8 -24.885 17.971 17.971
53 HB ILE 8 HB ILE 8 -23.709 18.540 18.540
54 1HG1 ILE 8 HG12 ILE 8 -22.509 16.320 16.320
55 2HG1 ILE 8 HG11 ILE 8 -21.522 17.718 17.718
56 1HG2 ILE 8 HG23 ILE 8 -21.946 18.953 18.953
57 2HG2 ILE 8 HG22 ILE 8 -21.631 19.710 19.710
58 3HG2 ILE 8 HG21 ILE 8 -23.119 20.072 20.072
59 1HD1 ILE 8 HD13 ILE 8 -20.874 17.533 17.533
60 2HD1 ILE 8 HD12 ILE 8 -21.380 15.860 15.860
61 3HD1 ILE 8 HD11 ILE 8 -20.082 16.530 16.530
62 H GLU 9 HN GLU 9 -24.060 15.047 15.047
63 HA GLU 9 HA GLU 9 -24.518 12.841 12.841
64 1HB GLU 9 HB2 GLU 9 -26.614 14.572 14.572
65 2HB GLU 9 HB1 GLU 9 -26.588 12.809 12.809
66 1HG GLU 9 HG2 GLU 9 -26.963 12.456 12.456
67 2HG GLU 9 HG1 GLU 9 -26.498 14.119 14.119
68 HA PRO 10 HA PRO 10 -22.487 13.327 13.327
69 1HB PRO 10 HB2 PRO 10 -19.878 13.076 13.076
70 2HB PRO 10 HB1 PRO 10 -20.944 14.539 14.539
71 1HG PRO 10 HG2 PRO 10 -20.029 12.740 12.740
72 2HG PRO 10 HG1 PRO 10 -20.089 14.529 14.529
73 1HD PRO 10 HD2 PRO 10 -21.875 12.462 12.462
74 2HD PRO 10 HD1 PRO 10 -22.213 14.209 14.209
75 H TRP 11 HN TRP 11 -23.542 10.922 10.922
76 HA TRP 11 HA TRP 11 -21.476 8.864 8.864
77 1HB TRP 11 HB2 TRP 11 -24.102 8.724 8.724
78 2HB TRP 11 HB1 TRP 11 -22.867 7.442 7.442
79 HD1 TRP 11 HD1 TRP 11 -23.191 10.933 10.933
80 HE1 TRP 11 HE1 TRP 11 -21.463 11.101 11.101
81 HE3 TRP 11 HE3 TRP 11 -20.827 6.442 6.442
82 HZ2 TRP 11 HZ2 TRP 11 -19.355 9.521 9.521
83 HZ3 TRP 11 HZ3 TRP 11 -18.975 5.808 5.808
84 HH2 TRP 11 HH2 TRP 11 -18.239 7.334 7.334
85 H ASN 12 HN ASN 12 -22.704 10.168 10.168
86 HA ASN 12 HA ASN 12 -24.263 7.960 7.960
87 1HB ASN 12 HB2 ASN 12 -25.790 9.952 9.952
88 2HB ASN 12 HB1 ASN 12 -26.045 9.229 9.229
89 1HD2 ASN 12 HD22 ASN 12 -24.753 11.989 11.989
90 2HD2 ASN 12 HD21 ASN 12 -24.948 10.315 10.315
91 H HIS 13 HN HIS 13 -22.171 7.805 7.805
92 HA HIS 13 HA HIS 13 -21.698 10.005 10.005
93 1HB HIS 13 HB2 HIS 13 -20.011 7.907 7.907
94 2HB HIS 13 HB1 HIS 13 -19.368 8.881 8.881
95 HD1 HIS 13 HD1 HIS 13 -17.957 9.190 9.190
96 HD2 HIS 13 HD2 HIS 13 -21.286 11.499 11.499
97 HE1 HIS 13 HE1 HIS 13 -17.843 11.260 11.260
98 HA PRO 14 HA PRO 14 -22.331 7.027 7.027
99 1HB PRO 14 HB2 PRO 14 -20.643 8.203 8.203
100 2HB PRO 14 HB1 PRO 14 -22.250 8.825 8.825
101 1HG PRO 14 HG2 PRO 14 -19.480 9.580 9.580
102 2HG PRO 14 HG1 PRO 14 -20.914 10.605 10.605
103 1HD PRO 14 HD2 PRO 14 -19.676 9.665 9.665
104 2HD PRO 14 HD1 PRO 14 -21.244 10.536 10.536
105 H GLY 15 HN GLY 15 -19.220 7.606 7.606
106 1HA GLY 15 HA2 GLY 15 -17.391 6.285 6.285
107 2HA GLY 15 HA1 GLY 15 -18.255 4.902 4.902
108 H SER 16 HN SER 16 -17.973 8.052 8.052
109 HA SER 16 HA SER 16 -15.750 7.202 7.202
110 1HB SER 16 HB2 SER 16 -18.574 7.792 7.792
111 2HB SER 16 HB1 SER 16 -17.421 7.759 7.759
112 HG SER 16 HG SER 16 -18.795 5.779 5.779
113 H GLN 17 HN GLN 17 -17.110 9.652 9.652
114 HA GLN 17 HA GLN 17 -15.801 11.736 11.736
115 1HB GLN 17 HB2 GLN 17 -18.655 11.751 11.751
116 2HB GLN 17 HB1 GLN 17 -17.713 13.188 13.188
117 1HG GLN 17 HG2 GLN 17 -18.183 12.868 12.868
118 2HG GLN 17 HG1 GLN 17 -17.476 11.265 11.265
119 1HE2 GLN 17 HE22 GLN 17 -20.627 9.721 9.721
120 2HE2 GLN 17 HE21 GLN 17 -18.942 9.627 9.627
121 HA PRO 18 HA PRO 18 -15.918 13.475 13.475
122 1HB PRO 18 HB2 PRO 18 -17.144 11.992 11.992
123 2HB PRO 18 HB1 PRO 18 -17.984 13.225 13.225
124 1HG PRO 18 HG2 PRO 18 -17.887 10.254 10.254
125 2HG PRO 18 HG1 PRO 18 -19.285 11.349 11.349
126 1HD PRO 18 HD2 PRO 18 -18.095 10.351 10.351
127 2HD PRO 18 HD1 PRO 18 -18.785 12.010 12.010
128 H LYS 19 HN LYS 19 -15.337 10.185 10.185
129 HA LYS 19 HA LYS 19 -12.987 10.124 10.124
130 1HB LYS 19 HB2 LYS 19 -13.536 7.804 7.804
131 2HB LYS 19 HB1 LYS 19 -14.901 8.835 8.835
132 1HG LYS 19 HG2 LYS 19 -16.235 8.021 8.021
133 2HG LYS 19 HG1 LYS 19 -14.885 7.670 7.670
134 1HD LYS 19 HD2 LYS 19 -14.760 6.052 6.052
135 2HD LYS 19 HD1 LYS 19 -16.278 5.840 5.840
136 1HE LYS 19 HE2 LYS 19 -14.991 5.388 5.388
137 2HE LYS 19 HE1 LYS 19 -13.490 5.517 5.517
138 1HZ LYS 19 HZ3 LYS 19 -15.753 3.705 3.705
139 2HZ LYS 19 HZ2 LYS 19 -14.359 3.211 3.211
140 3HZ LYS 19 HZ1 LYS 19 -14.239 3.769 3.769
141 H THR 20 HN THR 20 -13.641 10.468 10.468
142 HA THR 20 HA THR 20 -11.436 8.731 8.731
143 HB THR 20 HB THR 20 -14.333 8.541 8.541
144 HG1 THR 20 HG1 THR 20 -14.047 6.802 6.802
145 1HG2 THR 20 HG22 THR 20 -12.995 8.873 8.873
146 2HG2 THR 20 HG21 THR 20 -11.968 7.520 7.520
147 3HG2 THR 20 HG23 THR 20 -13.670 7.246 7.246
148 H ALA 21 HN ALA 21 -13.879 11.218 11.218
149 HA ALA 21 HA ALA 21 -12.572 12.025 12.025
150 1HB ALA 21 HB3 ALA 21 -14.650 13.300 13.300
151 2HB ALA 21 HB2 ALA 21 -14.198 13.941 13.941
152 3HB ALA 21 HB1 ALA 21 -14.940 12.346 12.346
153 H SER 22 HN SER 22 -10.401 12.102 12.102
154 HA SER 22 HA SER 22 -8.706 13.459 13.459
155 1HB SER 22 HB2 SER 22 -9.721 14.270 14.270
156 2HB SER 22 HB1 SER 22 -9.643 15.832 15.832
157 HG SER 22 HG SER 22 -7.657 15.248 15.248
158 H ASN 23 HN ASN 23 -11.089 13.359 13.359
159 HA ASN 23 HA ASN 23 -11.858 16.018 16.018
160 1HB ASN 23 HB2 ASN 23 -13.266 14.740 14.740
161 2HB ASN 23 HB1 ASN 23 -13.185 13.837 13.837
162 1HD2 ASN 23 HD22 ASN 23 -11.385 11.094 11.094
163 2HD2 ASN 23 HD21 ASN 23 -11.884 11.860 11.860
164 H ARG 24 HN ARG 24 -11.817 15.381 15.381
165 HA ARG 24 HA ARG 24 -9.660 16.669 16.669
166 1HB ARG 24 HB2 ARG 24 -11.227 14.266 14.266
167 2HB ARG 24 HB1 ARG 24 -10.190 15.120 15.120
168 1HG ARG 24 HG2 ARG 24 -11.620 16.844 16.844
169 2HG ARG 24 HG1 ARG 24 -12.023 16.873 16.873
170 1HD ARG 24 HD2 ARG 24 -13.960 16.172 16.172
171 2HD ARG 24 HD1 ARG 24 -13.498 14.971 14.971
172 HE ARG 24 HE ARG 24 -12.373 13.658 13.658
173 1HH1 ARG 24 HH11 ARG 24 -12.771 16.631 16.631
174 2HH1 ARG 24 HH12 ARG 24 -13.348 15.999 15.999
175 1HH2 ARG 24 HH21 ARG 24 -13.664 12.744 12.744
176 2HH2 ARG 24 HH22 ARG 24 -13.851 13.796 13.796
177 H ALA 25 HN ALA 25 -9.729 13.100 13.100
178 HA ALA 25 HA ALA 25 -8.030 11.486 11.486
179 1HB ALA 25 HB2 ALA 25 -7.823 13.170 13.170
180 2HB ALA 25 HB1 ALA 25 -6.244 13.427 13.427
181 3HB ALA 25 HB3 ALA 25 -6.730 11.808 11.808
182 H HIS 26 HN HIS 26 -8.051 12.841 12.841
183 HA HIS 26 HA HIS 26 -5.296 12.490 12.490
184 1HB HIS 26 HB2 HIS 26 -5.286 14.969 14.969
185 2HB HIS 26 HB1 HIS 26 -4.779 14.574 14.574
186 HD1 HIS 26 HD1 HIS 26 -5.383 17.207 17.207
187 HD2 HIS 26 HD2 HIS 26 -8.601 14.634 14.634
188 HE1 HIS 26 HE1 HIS 26 -7.456 18.427 18.427
189 H ALA 27 HN ALA 27 -8.281 14.190 14.190
190 HA ALA 27 HA ALA 27 -7.873 13.038 13.038
191 1HB ALA 27 HB1 ALA 27 -9.731 15.114 15.114
192 2HB ALA 27 HB3 ALA 27 -9.786 14.625 14.625
193 3HB ALA 27 HB2 ALA 27 -8.341 15.406 15.406
194 H LYS 28 HN LYS 28 -9.446 12.171 12.171
195 HA LYS 28 HA LYS 28 -11.932 11.118 11.118
196 1HB LYS 28 HB2 LYS 28 -11.947 11.803 11.803
197 2HB LYS 28 HB1 LYS 28 -10.394 10.974 10.974
198 1HG LYS 28 HG2 LYS 28 -11.831 8.780 8.780
199 2HG LYS 28 HG1 LYS 28 -13.205 9.839 9.839
200 1HD LYS 28 HD2 LYS 28 -12.853 8.956 8.956
201 2HD LYS 28 HD1 LYS 28 -11.944 10.458 10.458
202 1HE LYS 28 HE2 LYS 28 -9.896 9.029 9.029
203 2HE LYS 28 HE1 LYS 28 -10.898 7.640 7.640
204 1HZ LYS 28 HZ2 LYS 28 -11.228 9.429 9.429
205 2HZ LYS 28 HZ1 LYS 28 -9.579 9.567 9.567
206 3HZ LYS 28 HZ3 LYS 28 -10.228 8.057 8.057
207 H LYS 29 HN LYS 29 -8.721 9.858 9.858
208 HA LYS 29 HA LYS 29 -9.499 7.230 7.230
209 1HB LYS 29 HB2 LYS 29 -8.258 6.171 6.171
210 2HB LYS 29 HB1 LYS 29 -8.938 7.521 7.521
211 1HG LYS 29 HG2 LYS 29 -6.147 7.510 7.510
212 2HG LYS 29 HG1 LYS 29 -6.509 7.149 7.149
213 1HD LYS 29 HD2 LYS 29 -7.667 9.484 9.484
214 2HD LYS 29 HD1 LYS 29 -6.816 9.739 9.739
215 1HE LYS 29 HE2 LYS 29 -5.158 8.711 8.711
216 2HE LYS 29 HE1 LYS 29 -5.698 10.404 10.404
217 1HZ LYS 29 HZ1 LYS 29 -4.925 10.721 10.721
218 2HZ LYS 29 HZ3 LYS 29 -4.369 9.119 9.119
219 3HZ LYS 29 HZ2 LYS 29 -3.653 10.227 10.227
220 H SER 30 HN SER 30 -8.345 9.686 9.686
221 HA SER 30 HA SER 30 -5.532 9.202 9.202
222 1HB SER 30 HB2 SER 30 -7.098 11.314 11.314
223 2HB SER 30 HB1 SER 30 -7.383 10.734 10.734
224 HG SER 30 HG SER 30 -5.611 12.135 12.135
225 H ALA 31 HN ALA 31 -6.797 6.726 6.726
226 HA ALA 31 HA ALA 31 -7.261 5.074 5.074
227 1HB ALA 31 HB2 ALA 31 -4.776 5.447 5.447
228 2HB ALA 31 HB1 ALA 31 -4.851 6.486 6.486
229 3HB ALA 31 HB3 ALA 31 -5.250 4.774 4.774
230 H TYR 32 HN TYR 32 -9.278 6.400 6.400
231 HA TYR 32 HA TYR 32 -9.102 6.757 6.757
232 1HB TYR 32 HB2 TYR 32 -9.854 9.102 9.102
233 2HB TYR 32 HB1 TYR 32 -8.374 8.930 8.930
234 HD1 TYR 32 HD1 TYR 32 -9.165 8.165 8.165
235 HD2 TYR 32 HD2 TYR 32 -11.434 10.411 10.411
236 HE1 TYR 32 HE1 TYR 32 -10.530 9.127 9.127
237 HE2 TYR 32 HE2 TYR 32 -12.797 11.378 11.378
238 HH TYR 32 HH TYR 32 -12.098 11.663 11.663
239 H HIS 33 HN HIS 33 -10.418 4.839 4.839
240 HA HIS 33 HA HIS 33 -12.486 3.744 3.744
241 1HB HIS 33 HB2 HIS 33 -13.349 6.046 6.046
242 2HB HIS 33 HB1 HIS 33 -14.258 4.584 4.584
243 HD1 HIS 33 HD1 HIS 33 -13.561 2.380 2.380
244 HD2 HIS 33 HD2 HIS 33 -11.063 5.553 5.553
245 HE1 HIS 33 HE1 HIS 33 -12.084 1.546 1.546
246 H SER 34 HN SER 34 -11.807 6.611 6.611
247 HA SER 34 HA SER 34 -12.772 7.859 7.859
248 1HB SER 34 HB2 SER 34 -13.352 5.040 5.040
249 2HB SER 34 HB1 SER 34 -14.664 5.976 5.976
250 HG SER 34 HG SER 34 -12.341 5.543 5.543
251 H GLN 35 HN GLN 35 -13.857 9.212 9.212
252 HA GLN 35 HA GLN 35 -16.768 8.775 8.775
253 1HB GLN 35 HB2 GLN 35 -14.789 10.844 10.844
254 2HB GLN 35 HB1 GLN 35 -16.493 10.737 10.737
255 1HG GLN 35 HG2 GLN 35 -14.218 8.807 8.807
256 2HG GLN 35 HG1 GLN 35 -15.311 9.592 9.592
257 1HE2 GLN 35 HE22 GLN 35 -16.329 6.012 6.012
258 2HE2 GLN 35 HE21 GLN 35 -14.783 6.695 6.695
259 H VAL 36 HN VAL 36 -14.547 11.211 11.211
260 HA VAL 36 HA VAL 36 -14.902 12.925 12.925
261 HB VAL 36 HB VAL 36 -17.225 11.147 11.147
262 1HG1 VAL 36 HG11 VAL 36 -15.841 13.430 13.430
263 2HG1 VAL 36 HG13 VAL 36 -16.232 12.066 12.066
264 3HG1 VAL 36 HG12 VAL 36 -17.510 12.885 12.885
265 1HG2 VAL 36 HG21 VAL 36 -14.348 10.931 10.931
266 2HG2 VAL 36 HG23 VAL 36 -15.223 9.752 9.752
267 3HG2 VAL 36 HG22 VAL 36 -15.713 10.051 10.051
268 H ALA 37 HN ALA 37 -15.669 13.997 13.997
269 HA ALA 37 HA ALA 37 -17.124 15.525 15.525
270 1HB ALA 37 HB2 ALA 37 -17.042 16.015 16.015
271 2HB ALA 37 HB1 ALA 37 -18.777 15.824 15.824
272 3HB ALA 37 HB3 ALA 37 -17.878 17.042 17.042
273 H PHE 38 HN PHE 38 -18.227 14.119 14.119
274 HA PHE 38 HA PHE 38 -20.973 13.381 13.381
275 1HB PHE 38 HB2 PHE 38 -20.670 11.087 11.087
276 2HB PHE 38 HB1 PHE 38 -19.205 11.554 11.554
277 HD1 PHE 38 HD1 PHE 38 -17.361 12.714 12.714
278 HD2 PHE 38 HD2 PHE 38 -20.367 9.865 9.865
279 HE1 PHE 38 HE1 PHE 38 -15.990 12.034 12.034
280 HE2 PHE 38 HE2 PHE 38 -18.991 9.181 9.181
281 HZ PHE 38 HZ PHE 38 -16.803 10.268 10.268
282 H ILE 39 HN ILE 39 -21.215 12.011 12.011
283 HA ILE 39 HA ILE 39 -22.425 14.215 14.215
284 HB ILE 39 HB ILE 39 -22.497 12.674 12.674
285 1HG1 ILE 39 HG12 ILE 39 -21.413 10.331 10.331
286 2HG1 ILE 39 HG11 ILE 39 -20.166 11.549 11.549
287 1HG2 ILE 39 HG23 ILE 39 -23.351 12.012 12.012
288 2HG2 ILE 39 HG22 ILE 39 -23.386 10.669 10.669
289 3HG2 ILE 39 HG21 ILE 39 -24.300 12.132 12.132
290 1HD1 ILE 39 HD12 ILE 39 -21.642 11.518 11.518
291 2HD1 ILE 39 HD11 ILE 39 -21.145 9.876 9.876
292 3HD1 ILE 39 HD13 ILE 39 -19.938 11.154 11.154
293 H THR 40 HN THR 40 -19.080 12.973 12.973
294 HA THR 40 HA THR 40 -18.637 15.271 15.271
295 HB THR 40 HB THR 40 -17.295 12.549 12.549
296 HG1 THR 40 HG1 THR 40 -18.306 12.647 12.647
297 1HG2 THR 40 HG23 THR 40 -16.395 15.019 15.019
298 2HG2 THR 40 HG22 THR 40 -16.716 13.840 13.840
299 3HG2 THR 40 HG21 THR 40 -15.588 13.451 13.451
300 H LYS 41 HN LYS 41 -16.926 16.656 16.656
301 HA LYS 41 HA LYS 41 -15.863 16.741 16.741
302 1HB LYS 41 HB2 LYS 41 -14.730 18.711 18.711
303 2HB LYS 41 HB1 LYS 41 -16.351 18.671 18.671
304 1HG LYS 41 HG2 LYS 41 -15.502 18.713 18.713
305 2HG LYS 41 HG1 LYS 41 -14.594 17.246 17.246
306 1HD LYS 41 HD2 LYS 41 -13.697 20.054 20.054
307 2HD LYS 41 HD1 LYS 41 -13.110 19.103 19.103
308 1HE LYS 41 HE2 LYS 41 -12.925 17.869 17.869
309 2HE LYS 41 HE1 LYS 41 -11.759 19.132 19.132
310 1HZ LYS 41 HZ3 LYS 41 -12.444 16.851 16.851
311 2HZ LYS 41 HZ2 LYS 41 -11.176 16.778 16.778
312 3HZ LYS 41 HZ1 LYS 41 -11.128 17.913 17.913
313 H GLY 42 HN GLY 42 -14.778 15.166 15.166
314 1HA GLY 42 HA2 GLY 42 -11.941 15.055 15.055
315 2HA GLY 42 HA1 GLY 42 -12.889 13.900 13.900
316 H LEU 43 HN LEU 43 -14.412 13.762 13.762
317 HA LEU 43 HA LEU 43 -14.345 12.352 12.352
318 1HB LEU 43 HB2 LEU 43 -11.315 12.308 12.308
319 2HB LEU 43 HB1 LEU 43 -12.256 12.050 12.050
320 HG LEU 43 HG LEU 43 -12.199 14.674 14.674
321 1HD1 LEU 43 HD11 LEU 43 -10.415 13.338 13.338
322 2HD1 LEU 43 HD13 LEU 43 -11.084 14.788 14.788
323 3HD1 LEU 43 HD12 LEU 43 -10.253 14.902 14.902
324 1HD2 LEU 43 HD22 LEU 43 -14.343 14.093 14.093
325 2HD2 LEU 43 HD21 LEU 43 -13.484 15.458 15.458
326 3HD2 LEU 43 HD23 LEU 43 -13.404 13.866 13.866
327 H GLY 44 HN GLY 44 -14.781 11.198 11.198
328 1HA GLY 44 HA2 GLY 44 -14.845 9.050 9.050
329 2HA GLY 44 HA1 GLY 44 -14.653 8.442 8.442
330 H ILE 45 HN ILE 45 -12.217 10.495 10.495
331 HA ILE 45 HA ILE 45 -10.171 8.493 8.493
332 HB ILE 45 HB ILE 45 -8.784 10.203 10.203
333 1HG1 ILE 45 HG12 ILE 45 -10.304 12.460 12.460
334 2HG1 ILE 45 HG11 ILE 45 -11.494 11.293 11.293
335 1HG2 ILE 45 HG23 ILE 45 -10.412 10.867 10.867
336 2HG2 ILE 45 HG22 ILE 45 -9.207 11.996 11.996
337 3HG2 ILE 45 HG21 ILE 45 -8.719 10.383 10.383
338 1HD1 ILE 45 HD12 ILE 45 -9.006 10.865 10.865
339 2HD1 ILE 45 HD11 ILE 45 -9.242 12.611 12.611
340 3HD1 ILE 45 HD13 ILE 45 -10.465 11.584 11.584
341 H SER 46 HN SER 46 -11.593 9.832 9.832
342 HA SER 46 HA SER 46 -11.601 7.267 7.267
343 1HB SER 46 HB2 SER 46 -9.678 7.650 7.650
344 2HB SER 46 HB1 SER 46 -9.124 7.588 7.588
345 HG SER 46 HG SER 46 -8.213 9.367 9.367
346 H TYR 47 HN TYR 47 -13.188 9.917 9.917
347 HA TYR 47 HA TYR 47 -13.118 11.001 11.001
348 1HB TYR 47 HB2 TYR 47 -14.992 12.374 12.374
349 2HB TYR 47 HB1 TYR 47 -13.732 12.286 12.286
350 HD1 TYR 47 HD1 TYR 47 -16.986 10.761 10.761
351 HD2 TYR 47 HD2 TYR 47 -14.123 11.441 11.441
352 HE1 TYR 47 HE1 TYR 47 -18.577 9.846 9.846
353 HE2 TYR 47 HE2 TYR 47 -15.700 10.525 10.525
354 HH TYR 47 HH TYR 47 -18.863 9.212 9.212
355 H GLY 48 HN GLY 48 -14.879 8.447 8.447
356 1HA GLY 48 HA2 GLY 48 -15.796 6.696 6.696
357 2HA GLY 48 HA1 GLY 48 -16.555 8.014 8.014
358 H ARG 49 HN ARG 49 -16.427 6.636 6.636
359 HA ARG 49 HA ARG 49 -18.903 7.867 7.867
360 1HB ARG 49 HB2 ARG 49 -17.008 7.122 7.122
361 2HB ARG 49 HB1 ARG 49 -17.405 5.444 5.444
362 1HG ARG 49 HG2 ARG 49 -19.760 6.110 6.110
363 2HG ARG 49 HG1 ARG 49 -19.000 7.601 7.601
364 1HD ARG 49 HD2 ARG 49 -18.236 4.785 4.785
365 2HD ARG 49 HD1 ARG 49 -18.955 6.040 6.040
366 HE ARG 49 HE ARG 49 -16.832 7.406 7.406
367 1HH1 ARG 49 HH21 ARG 49 -14.827 6.310 6.310
368 2HH1 ARG 49 HH22 ARG 49 -14.099 5.094 5.094
369 1HH2 ARG 49 HH11 ARG 49 -16.839 4.818 4.818
370 2HH2 ARG 49 HH12 ARG 49 -15.246 4.241 4.241
371 H LYS 50 HN LYS 50 -20.893 6.598 6.598
372 HA LYS 50 HA LYS 50 -21.340 4.355 4.355
373 1HB LYS 50 HB2 LYS 50 -23.675 5.257 5.257
374 2HB LYS 50 HB1 LYS 50 -22.453 6.376 6.376
375 1HG LYS 50 HG2 LYS 50 -23.003 6.596 6.596
376 2HG LYS 50 HG1 LYS 50 -24.402 6.949 6.949
377 1HD LYS 50 HD2 LYS 50 -21.635 8.220 8.220
378 2HD LYS 50 HD1 LYS 50 -23.052 8.955 8.955
379 1HE LYS 50 HE2 LYS 50 -24.102 8.359 8.359
380 2HE LYS 50 HE1 LYS 50 -22.384 8.491 8.491
381 1HZ LYS 50 HZ1 LYS 50 -22.304 10.601 10.601
382 2HZ LYS 50 HZ3 LYS 50 -23.973 10.496 10.496
383 3HZ LYS 50 HZ2 LYS 50 -23.397 10.671 10.671
384 H LYS 51 HN LYS 51 -21.222 5.070 5.070
385 HA LYS 51 HA LYS 51 -21.737 3.744 3.744
386 1HB LYS 51 HB2 LYS 51 -21.789 1.943 1.943
387 2HB LYS 51 HB1 LYS 51 -23.217 1.633 1.633
388 1HG LYS 51 HG2 LYS 51 -21.754 0.359 0.359
389 2HG LYS 51 HG1 LYS 51 -21.332 1.880 1.880
390 1HD LYS 51 HD2 LYS 51 -19.963 0.912 0.912
391 2HD LYS 51 HD1 LYS 51 -19.398 0.452 0.452
392 1HE LYS 51 HE2 LYS 51 -19.188 2.886 2.886
393 2HE LYS 51 HE1 LYS 51 -19.633 3.288 3.288
394 1HZ LYS 51 HZ1 LYS 51 -17.826 1.834 1.834
395 2HZ LYS 51 HZ3 LYS 51 -17.351 1.581 1.581
396 3HZ LYS 51 HZ2 LYS 51 -17.251 3.134 3.134
397 H ARG 52 HN ARG 52 -24.430 3.666 3.666
398 HA ARG 52 HA ARG 52 -26.511 3.565 3.565
399 1HB ARG 52 HB2 ARG 52 -26.708 4.630 4.630
400 2HB ARG 52 HB1 ARG 52 -27.971 3.855 3.855
401 1HG ARG 52 HG2 ARG 52 -25.597 2.651 2.651
402 2HG ARG 52 HG1 ARG 52 -27.283 2.133 2.133
403 1HD ARG 52 HD2 ARG 52 -25.346 1.745 1.745
404 2HD ARG 52 HD1 ARG 52 -26.006 0.511 0.511
405 HE ARG 52 HE ARG 52 -27.461 1.803 1.803
406 1HH1 ARG 52 HH21 ARG 52 -29.481 2.549 2.549
407 2HH1 ARG 52 HH22 ARG 52 -30.341 1.105 1.105
408 1HH2 ARG 52 HH11 ARG 52 -27.802 -1.028 -1.028
409 2HH2 ARG 52 HH12 ARG 52 -29.390 -0.922 -0.922
410 H ARG 53 HN ARG 53 -24.426 6.097 6.097
411 HA ARG 53 HA ARG 53 -26.051 8.415 8.415
412 1HB ARG 53 HB2 ARG 53 -23.954 9.531 9.531
413 2HB ARG 53 HB1 ARG 53 -23.651 8.272 8.272
414 1HG ARG 53 HG2 ARG 53 -21.997 7.664 7.664
415 2HG ARG 53 HG1 ARG 53 -23.295 6.749 6.749
416 1HD ARG 53 HD2 ARG 53 -23.650 8.500 8.500
417 2HD ARG 53 HD1 ARG 53 -22.474 9.561 9.561
418 HE ARG 53 HE ARG 53 -20.856 7.542 7.542
419 1HH1 ARG 53 HH11 ARG 53 -22.619 9.424 9.424
420 2HH1 ARG 53 HH12 ARG 53 -22.224 8.482 8.482
421 1HH2 ARG 53 HH21 ARG 53 -20.652 5.962 5.962
422 2HH2 ARG 53 HH22 ARG 53 -21.098 6.526 6.526
423 H GLN 54 HN GLN 54 -25.251 6.239 6.239
424 HA GLN 54 HA GLN 54 -25.618 8.059 8.059
425 1HB GLN 54 HB2 GLN 54 -26.028 5.047 5.047
426 2HB GLN 54 HB1 GLN 54 -25.833 5.976 5.976
427 1HG GLN 54 HG2 GLN 54 -23.627 6.580 6.580
428 2HG GLN 54 HG1 GLN 54 -23.689 6.015 6.015
429 1HE2 GLN 54 HE22 GLN 54 -23.483 2.522 2.522
430 2HE2 GLN 54 HE21 GLN 54 -24.244 3.525 3.525
431 H ARG 55 HN ARG 55 -27.820 5.969 5.969
432 HA ARG 55 HA ARG 55 -30.176 5.866 5.866
433 1HB ARG 55 HB2 ARG 55 -29.710 8.704 8.704
434 2HB ARG 55 HB1 ARG 55 -31.272 8.066 8.066
435 1HG ARG 55 HG2 ARG 55 -29.907 7.361 7.361
436 2HG ARG 55 HG1 ARG 55 -28.949 8.750 8.750
437 1HD ARG 55 HD2 ARG 55 -31.067 10.106 10.106
438 2HD ARG 55 HD1 ARG 55 -31.941 8.707 8.707
439 HE ARG 55 HE ARG 55 -30.111 8.841 8.841
440 1HH1 ARG 55 HH21 ARG 55 -28.724 11.242 11.242
441 2HH1 ARG 55 HH22 ARG 55 -29.707 12.487 12.487
442 1HH2 ARG 55 HH11 ARG 55 -32.589 10.550 10.550
443 2HH2 ARG 55 HH12 ARG 55 -31.899 12.094 12.094
444 H ARG 56 HN ARG 56 -28.658 5.080 5.080
445 HA ARG 56 HA ARG 56 -31.008 4.624 4.624
446 1HB ARG 56 HB2 ARG 56 -30.262 5.936 5.936
447 2HB ARG 56 HB1 ARG 56 -30.223 6.991 6.991
448 1HG ARG 56 HG2 ARG 56 -27.713 5.905 5.905
449 2HG ARG 56 HG1 ARG 56 -27.994 5.903 5.903
450 1HD ARG 56 HD2 ARG 56 -28.881 8.382 8.382
451 2HD ARG 56 HD1 ARG 56 -27.158 8.028 8.028
452 HE ARG 56 HE ARG 56 -27.682 7.489 7.489
453 1HH1 ARG 56 HH11 ARG 56 -25.371 9.143 9.143
454 2HH1 ARG 56 HH12 ARG 56 -25.823 10.723 10.723
455 1HH2 ARG 56 HH21 ARG 56 -29.209 9.964 9.964
456 2HH2 ARG 56 HH22 ARG 56 -28.003 11.190 11.190
457 H ARG 57 HN ARG 57 -29.110 2.917 2.917
458 HA ARG 57 HA ARG 57 -26.953 1.956 1.956
459 1HB ARG 57 HB2 ARG 57 -27.618 1.377 1.377
460 2HB ARG 57 HB1 ARG 57 -28.864 0.298 0.298
461 1HG ARG 57 HG2 ARG 57 -27.014 -1.091 -1.091
462 2HG ARG 57 HG1 ARG 57 -26.892 -0.758 -0.758
463 1HD ARG 57 HD2 ARG 57 -25.328 1.129 1.129
464 2HD ARG 57 HD1 ARG 57 -25.331 0.599 0.599
465 HE ARG 57 HE ARG 57 -24.206 -0.887 -0.887
466 1HH1 ARG 57 HH21 ARG 57 -25.289 -3.143 -3.143
467 2HH1 ARG 57 HH22 ARG 57 -24.299 -3.526 -3.526
468 1HH2 ARG 57 HH11 ARG 57 -22.843 -0.373 -0.373
469 2HH2 ARG 57 HH12 ARG 57 -22.910 -1.953 -1.953
470 HA PRO 58 HA PRO 58 -30.038 -1.066 -1.066
471 1HB PRO 58 HB2 PRO 58 -32.667 -0.283 -0.283
472 2HB PRO 58 HB1 PRO 58 -32.016 -1.314 -1.314
473 1HG PRO 58 HG2 PRO 58 -32.551 1.626 1.626
474 2HG PRO 58 HG1 PRO 58 -32.850 0.413 0.413
475 1HD PRO 58 HD2 PRO 58 -30.832 2.112 2.112
476 2HD PRO 58 HD1 PRO 58 -30.653 0.530 0.530
477 H SER 59 HN SER 59 -30.188 2.428 2.428
478 HA SER 59 HA SER 59 -31.119 2.479 2.479
479 1HB SER 59 HB2 SER 59 -29.868 4.558 4.558
480 2HB SER 59 HB1 SER 59 -30.572 4.903 4.903
481 HG SER 59 HG SER 59 -32.484 4.785 4.785
482 H GLN 60 HN GLN 60 -29.682 1.453 1.453
483 HA GLN 60 HA GLN 60 -26.970 2.624 2.624
484 1HB GLN 60 HB2 GLN 60 -27.521 -0.363 -0.363
485 2HB GLN 60 HB1 GLN 60 -25.991 0.437 0.437
486 1HG GLN 60 HG2 GLN 60 -25.999 1.564 1.564
487 2HG GLN 60 HG1 GLN 60 -27.642 1.077 1.077
488 1HE2 GLN 60 HE22 GLN 60 -26.507 -2.540 -2.540
489 2HE2 GLN 60 HE21 GLN 60 -27.429 -1.725 -1.725
490 H GLY 61 HN GLY 61 -29.570 2.576 2.576
491 1HA GLY 61 HA2 GLY 61 -28.991 0.960 0.960
492 2HA GLY 61 HA1 GLY 61 -30.301 2.138 2.138
493 H GLY 62 HN GLY 62 -26.807 1.790 1.790
494 1HA GLY 62 HA2 GLY 62 -25.435 3.010 3.010
495 2HA GLY 62 HA1 GLY 62 -26.781 4.092 4.092
496 H GLN 63 HN GLN 63 -26.046 3.385 3.385
497 HA GLN 63 HA GLN 63 -25.540 6.173 6.173
498 1HB GLN 63 HB2 GLN 63 -25.513 3.554 3.554
499 2HB GLN 63 HB1 GLN 63 -25.133 5.042 5.042
500 1HG GLN 63 HG2 GLN 63 -27.627 4.390 4.390
501 2HG GLN 63 HG1 GLN 63 -27.522 4.364 4.364
502 1HE2 GLN 63 HE22 GLN 63 -26.888 8.126 8.126
503 2HE2 GLN 63 HE21 GLN 63 -25.829 6.826 6.826
504 H THR 64 HN THR 64 -23.502 3.410 3.410
505 HA THR 64 HA THR 64 -21.151 3.128 3.128
506 HB THR 64 HB THR 64 -21.558 6.069 6.069
507 HG1 THR 64 HG1 THR 64 -22.172 5.234 5.234
508 1HG2 THR 64 HG21 THR 64 -19.085 4.470 4.470
509 2HG2 THR 64 HG23 THR 64 -19.180 5.495 5.495
510 3HG2 THR 64 HG22 THR 64 -19.327 6.208 6.208
511 H HIS 65 HN HIS 65 -22.243 3.146 3.146
512 HA HIS 65 HA HIS 65 -21.206 5.171 5.171
513 1HB HIS 65 HB2 HIS 65 -22.541 2.488 2.488
514 2HB HIS 65 HB1 HIS 65 -21.758 3.263 3.263
515 HD1 HIS 65 HD1 HIS 65 -24.887 2.811 2.811
516 HD2 HIS 65 HD2 HIS 65 -22.911 6.357 6.357
517 HE1 HIS 65 HE1 HIS 65 -26.625 4.647 4.647
518 H GLN 66 HN GLN 66 -19.755 4.517 4.517
519 HA GLN 66 HA GLN 66 -17.431 2.929 2.929
520 1HB GLN 66 HB2 GLN 66 -17.764 5.247 5.247
521 2HB GLN 66 HB1 GLN 66 -16.145 4.535 4.535
522 1HG GLN 66 HG2 GLN 66 -16.036 5.969 5.969
523 2HG GLN 66 HG1 GLN 66 -17.311 4.998 4.998
524 1HE2 GLN 66 HE22 GLN 66 -19.860 7.442 7.442
525 2HE2 GLN 66 HE21 GLN 66 -19.490 5.895 5.895
526 H ASP 67 HN ASP 67 -19.200 3.869 3.869
527 HA ASP 67 HA ASP 67 -17.864 1.864 1.864
528 1HB ASP 67 HB2 ASP 67 -18.485 3.892 3.892
529 2HB ASP 67 HB1 ASP 67 -20.144 3.830 3.830
530 HA PRO 68 HA PRO 68 -22.083 -0.321 -0.321
531 1HB PRO 68 HB2 PRO 68 -23.950 0.510 0.510
532 2HB PRO 68 HB1 PRO 68 -23.812 1.170 1.170
533 1HG PRO 68 HG2 PRO 68 -22.984 2.267 2.267
534 2HG PRO 68 HG1 PRO 68 -23.522 3.151 3.151
535 1HD PRO 68 HD2 PRO 68 -20.879 2.916 2.916
536 2HD PRO 68 HD1 PRO 68 -21.465 3.376 3.376
537 H ILE 69 HN ILE 69 -20.893 0.742 0.742
538 HA ILE 69 HA ILE 69 -21.102 -2.118 -2.118
539 HB ILE 69 HB ILE 69 -22.076 -1.495 -1.495
540 1HG1 ILE 69 HG12 ILE 69 -22.023 1.306 1.306
541 2HG1 ILE 69 HG11 ILE 69 -20.301 0.771 0.771
542 1HG2 ILE 69 HG23 ILE 69 -23.478 -0.887 -0.887
543 2HG2 ILE 69 HG22 ILE 69 -23.036 0.790 0.790
544 3HG2 ILE 69 HG21 ILE 69 -23.951 -0.130 -0.130
545 1HD1 ILE 69 HD13 ILE 69 -20.875 -0.944 -0.944
546 2HD1 ILE 69 HD12 ILE 69 -22.244 0.108 0.108
547 3HD1 ILE 69 HD11 ILE 69 -20.597 0.729 0.729
548 HA PRO 70 HA PRO 70 -16.787 -0.205 -0.205
549 1HB PRO 70 HB2 PRO 70 -15.461 -1.728 -1.728
550 2HB PRO 70 HB1 PRO 70 -16.034 -0.085 -0.085
551 1HG PRO 70 HG2 PRO 70 -17.235 -2.756 -2.756
552 2HG PRO 70 HG1 PRO 70 -17.156 -1.313 -1.313
553 1HD PRO 70 HD2 PRO 70 -19.404 -2.028 -2.028
554 2HD PRO 70 HD1 PRO 70 -19.000 -0.292 -0.292
555 H LYS 71 HN LYS 71 -18.485 -3.126 -3.126
556 HA LYS 71 HA LYS 71 -16.739 -5.197 -5.197
557 1HB LYS 71 HB2 LYS 71 -19.528 -4.356 -4.356
558 2HB LYS 71 HB1 LYS 71 -18.952 -5.849 -5.849
559 1HG LYS 71 HG2 LYS 71 -20.080 -6.250 -6.250
560 2HG LYS 71 HG1 LYS 71 -18.461 -6.774 -6.774
561 1HD LYS 71 HD2 LYS 71 -19.915 -4.075 -4.075
562 2HD LYS 71 HD1 LYS 71 -20.491 -5.460 -5.460
563 1HE LYS 71 HE2 LYS 71 -17.550 -4.731 -4.731
564 2HE LYS 71 HE1 LYS 71 -18.739 -4.037 -4.037
565 1HZ LYS 71 HZ1 LYS 71 -19.482 -6.268 -6.268
566 2HZ LYS 71 HZ3 LYS 71 -18.351 -6.949 -6.949
567 3HZ LYS 71 HZ2 LYS 71 -17.820 -6.116 -6.116
568 H GLN 72 HN GLN 72 -18.448 -2.854 -2.854
569 HA GLN 72 HA GLN 72 -16.414 -2.849 -2.849
570 1HB GLN 72 HB2 GLN 72 -18.622 -3.932 -3.932
571 2HB GLN 72 HB1 GLN 72 -17.135 -4.787 -4.787
572 1HG GLN 72 HG2 GLN 72 -18.922 -6.054 -6.054
573 2HG GLN 72 HG1 GLN 72 -18.452 -5.490 -5.490
574 1HE2 GLN 72 HE22 GLN 72 -21.635 -3.557 -3.557
575 2HE2 GLN 72 HE21 GLN 72 -20.070 -3.529 -3.529
576 HA PRO 73 HA PRO 73 -18.775 0.611 0.611
577 1HB PRO 73 HB2 PRO 73 -19.635 0.005 0.005
578 2HB PRO 73 HB1 PRO 73 -17.956 0.463 0.463
579 1HG PRO 73 HG2 PRO 73 -19.151 -2.297 -2.297
580 2HG PRO 73 HG1 PRO 73 -17.693 -1.665 -1.665
581 1HD PRO 73 HD2 PRO 73 -17.509 -3.171 -3.171
582 2HD PRO 73 HD1 PRO 73 -16.522 -1.701 -1.701
583 H SER 74 HN SER 74 -20.387 -2.419 -2.419
584 HA SER 74 HA SER 74 -22.559 -3.224 -3.224
585 1HB SER 74 HB2 SER 74 -22.143 -3.222 -3.222
586 2HB SER 74 HB1 SER 74 -21.855 -1.814 -1.814
587 HG SER 74 HG SER 74 -24.107 -1.494 -1.494
588 H SER 75 HN SER 75 -24.475 -2.784 -2.784
589 HA SER 75 HA SER 75 -26.177 -1.547 -1.547
590 1HB SER 75 HB2 SER 75 -25.776 -0.528 -0.528
591 2HB SER 75 HB1 SER 75 -25.605 0.918 0.918
592 HG SER 75 HG SER 75 -27.833 -0.281 -0.281
593 H GLN 76 HN GLN 76 -23.323 -1.453 -1.453
594 HA GLN 76 HA GLN 76 -23.472 0.987 0.987
595 1HB GLN 76 HB2 GLN 76 -21.464 0.168 0.168
596 2HB GLN 76 HB1 GLN 76 -20.777 0.631 0.631
597 1HG GLN 76 HG2 GLN 76 -21.106 2.779 2.779
598 2HG GLN 76 HG1 GLN 76 -22.826 2.526 2.526
599 1HE2 GLN 76 HE22 GLN 76 -22.550 2.409 2.409
600 2HE2 GLN 76 HE21 GLN 76 -23.548 2.053 2.053
601 HA PRO 77 HA PRO 77 -20.954 -2.324 -2.324
602 1HB PRO 77 HB2 PRO 77 -20.307 -4.672 -4.672
603 2HB PRO 77 HB1 PRO 77 -19.229 -3.253 -3.253
604 1HG PRO 77 HG2 PRO 77 -21.084 -4.289 -4.289
605 2HG PRO 77 HG1 PRO 77 -19.540 -3.443 -3.443
606 1HD PRO 77 HD2 PRO 77 -21.978 -2.486 -2.486
607 2HD PRO 77 HD1 PRO 77 -20.585 -1.411 -1.411
608 H ARG 78 HN ARG 78 -23.493 -3.242 -3.242
609 HA ARG 78 HA ARG 78 -24.651 -5.040 -5.040
610 1HB ARG 78 HB2 ARG 78 -24.750 -5.340 -5.340
611 2HB ARG 78 HB1 ARG 78 -25.289 -6.581 -6.581
612 1HG ARG 78 HG2 ARG 78 -22.760 -6.478 -6.478
613 2HG ARG 78 HG1 ARG 78 -22.568 -5.548 -5.548
614 1HD ARG 78 HD2 ARG 78 -23.287 -7.380 -7.380
615 2HD ARG 78 HD1 ARG 78 -23.814 -8.322 -8.322
616 HE ARG 78 HE ARG 78 -21.084 -7.643 -7.643
617 1HH1 ARG 78 HH11 ARG 78 -22.172 -10.456 -10.456
618 2HH1 ARG 78 HH12 ARG 78 -21.329 -11.178 -11.178
619 1HH2 ARG 78 HH21 ARG 78 -20.362 -8.137 -8.137
620 2HH2 ARG 78 HH22 ARG 78 -20.300 -9.861 -9.861
621 H GLY 79 HN GLY 79 -25.125 -2.136 -2.136
622 1HA GLY 79 HA2 GLY 79 -28.117 -2.465 -2.465
623 2HA GLY 79 HA1 GLY 79 -27.271 -1.516 -1.516
624 H ASP 80 HN ASP 80 -27.077 0.628 0.628
625 HA ASP 80 HA ASP 80 -28.102 1.731 1.731
626 1HB ASP 80 HB2 ASP 80 -26.790 2.860 2.860
627 2HB ASP 80 HB1 ASP 80 -27.377 3.878 3.878
628 HA PRO 81 HA PRO 81 -24.193 1.767 1.767
629 1HB PRO 81 HB2 PRO 81 -24.915 3.375 3.375
630 2HB PRO 81 HB1 PRO 81 -25.422 1.685 1.685
631 1HG PRO 81 HG2 PRO 81 -26.944 4.161 4.161
632 2HG PRO 81 HG1 PRO 81 -27.485 2.666 2.666
633 1HD PRO 81 HD2 PRO 81 -27.957 3.290 3.290
634 2HD PRO 81 HD1 PRO 81 -27.869 1.624 1.624
635 H THR 82 HN THR 82 -22.977 2.993 2.993
636 HA THR 82 HA THR 82 -23.253 5.886 5.886
637 HB THR 82 HB THR 82 -20.904 5.408 5.408
638 HG1 THR 82 HG1 THR 82 -21.893 2.842 2.842
639 1HG2 THR 82 HG21 THR 82 -23.632 4.486 4.486
640 2HG2 THR 82 HG23 THR 82 -22.225 4.435 4.435
641 3HG2 THR 82 HG22 THR 82 -22.786 5.975 5.975
642 H GLY 83 HN GLY 83 -20.638 3.812 3.812
643 1HA GLY 83 HA2 GLY 83 -20.259 5.370 5.370
644 2HA GLY 83 HA1 GLY 83 -19.117 5.914 5.914
645 HA PRO 84 HA PRO 84 -16.901 2.266 2.266
646 1HB PRO 84 HB2 PRO 84 -14.634 2.803 2.803
647 2HB PRO 84 HB1 PRO 84 -15.090 3.709 3.709
648 1HG PRO 84 HG2 PRO 84 -15.089 4.565 4.565
649 2HG PRO 84 HG1 PRO 84 -15.295 5.549 5.549
650 1HD PRO 84 HD2 PRO 84 -17.248 4.327 4.327
651 2HD PRO 84 HD1 PRO 84 -17.576 5.734 5.734
652 H LYS 85 HN LYS 85 -18.488 2.399 2.399
653 HA LYS 85 HA LYS 85 -16.942 0.383 0.383
654 1HB LYS 85 HB2 LYS 85 -19.744 1.368 1.368
655 2HB LYS 85 HB1 LYS 85 -18.503 0.815 0.815
656 1HG LYS 85 HG2 LYS 85 -18.663 3.449 3.449
657 2HG LYS 85 HG1 LYS 85 -18.557 3.163 3.163
658 1HD LYS 85 HD2 LYS 85 -16.297 2.380 2.380
659 2HD LYS 85 HD1 LYS 85 -16.481 3.967 3.967
660 1HE LYS 85 HE2 LYS 85 -16.583 2.875 2.875
661 2HE LYS 85 HE1 LYS 85 -16.116 1.356 1.356
662 1HZ LYS 85 HZ2 LYS 85 -14.221 2.564 2.564
663 2HZ LYS 85 HZ1 LYS 85 -14.643 3.947 3.947
664 3HZ LYS 85 HZ3 LYS 85 -14.139 2.542 2.542
665 H GLU 86 HN GLU 86 -19.079 0.312 0.312
666 HA GLU 86 HA GLU 86 -20.700 -1.994 -1.994
667 1HB GLU 86 HB2 GLU 86 -19.961 -0.671 -0.671
668 2HB GLU 86 HB1 GLU 86 -21.313 -1.822 -1.822
669 1HG GLU 86 HG2 GLU 86 -22.176 -0.190 -0.190
670 2HG GLU 86 HG1 GLU 86 -20.897 0.928 0.928
Start of MODEL 3
1 1H LEU 1 HT2 LEU 1 -24.124 21.235 21.235
2 2H LEU 1 HT1 LEU 1 -22.771 20.548 20.548
3 3H LEU 1 HT3 LEU 1 -22.567 21.828 21.828
4 HA LEU 1 HA LEU 1 -23.190 20.481 20.481
5 1HB LEU 1 HB2 LEU 1 -20.928 20.297 20.297
6 2HB LEU 1 HB1 LEU 1 -21.415 18.590 18.590
7 HG LEU 1 HG LEU 1 -21.577 18.603 18.603
8 1HD1 LEU 1 HD12 LEU 1 -20.883 21.506 21.506
9 2HD1 LEU 1 HD11 LEU 1 -20.293 20.633 20.633
10 3HD1 LEU 1 HD13 LEU 1 -22.026 20.752 20.752
11 1HD2 LEU 1 HD22 LEU 1 -19.331 18.474 18.474
12 2HD2 LEU 1 HD21 LEU 1 -19.415 18.114 18.114
13 3HD2 LEU 1 HD23 LEU 1 -18.889 19.707 19.707
14 H ASP 2 HN ASP 2 -23.271 17.910 17.910
15 HA ASP 2 HA ASP 2 -24.571 15.959 15.959
16 1HB ASP 2 HB2 ASP 2 -23.399 15.951 15.951
17 2HB ASP 2 HB1 ASP 2 -24.907 16.638 16.638
18 HA PRO 3 HA PRO 3 -28.482 18.346 18.346
19 1HB PRO 3 HB2 PRO 3 -28.817 18.627 18.627
20 2HB PRO 3 HB1 PRO 3 -27.863 19.743 19.743
21 1HG PRO 3 HG2 PRO 3 -26.934 17.753 17.753
22 2HG PRO 3 HG1 PRO 3 -26.102 19.151 19.151
23 1HD PRO 3 HD2 PRO 3 -25.906 16.363 16.363
24 2HD PRO 3 HD1 PRO 3 -24.906 17.711 17.711
25 H VAL 4 HN VAL 4 -28.494 16.597 16.597
26 HA VAL 4 HA VAL 4 -30.752 14.920 14.920
27 HB VAL 4 HB VAL 4 -28.834 15.234 15.234
28 1HG1 VAL 4 HG12 VAL 4 -30.894 13.036 13.036
29 2HG1 VAL 4 HG11 VAL 4 -30.267 13.613 13.613
30 3HG1 VAL 4 HG13 VAL 4 -29.178 12.873 12.873
31 1HG2 VAL 4 HG21 VAL 4 -31.279 16.376 16.376
32 2HG2 VAL 4 HG23 VAL 4 -30.431 16.548 16.548
33 3HG2 VAL 4 HG22 VAL 4 -31.652 15.290 15.290
34 H ASP 5 HN ASP 5 -27.393 14.257 14.257
35 HA ASP 5 HA ASP 5 -26.948 12.362 12.362
36 1HB ASP 5 HB2 ASP 5 -27.756 11.501 11.501
37 2HB ASP 5 HB1 ASP 5 -26.314 10.673 10.673
38 HA PRO 6 HA PRO 6 -23.016 13.453 13.453
39 1HB PRO 6 HB2 PRO 6 -22.895 13.452 13.452
40 2HB PRO 6 HB1 PRO 6 -22.872 11.960 11.960
41 1HG PRO 6 HG2 PRO 6 -24.977 12.985 12.985
42 2HG PRO 6 HG1 PRO 6 -24.804 11.374 11.374
43 1HD PRO 6 HD2 PRO 6 -26.339 13.687 13.687
44 2HD PRO 6 HD1 PRO 6 -26.527 11.948 11.948
45 H ASN 7 HN ASN 7 -22.120 15.286 15.286
46 HA ASN 7 HA ASN 7 -23.543 17.719 17.719
47 1HB ASN 7 HB2 ASN 7 -21.195 17.110 17.110
48 2HB ASN 7 HB1 ASN 7 -21.750 18.759 18.759
49 1HD2 ASN 7 HD22 ASN 7 -19.325 16.956 16.956
50 2HD2 ASN 7 HD21 ASN 7 -19.560 16.413 16.413
51 H ILE 8 HN ILE 8 -22.851 16.198 16.198
52 HA ILE 8 HA ILE 8 -25.402 17.401 17.401
53 HB ILE 8 HB ILE 8 -24.319 18.186 18.186
54 1HG1 ILE 8 HG12 ILE 8 -22.950 16.115 16.115
55 2HG1 ILE 8 HG11 ILE 8 -22.080 17.611 17.611
56 1HG2 ILE 8 HG23 ILE 8 -22.404 18.613 18.613
57 2HG2 ILE 8 HG22 ILE 8 -22.434 19.570 19.570
58 3HG2 ILE 8 HG21 ILE 8 -23.817 19.594 19.594
59 1HD1 ILE 8 HD13 ILE 8 -21.276 17.319 17.319
60 2HD1 ILE 8 HD12 ILE 8 -21.784 15.644 15.644
61 3HD1 ILE 8 HD11 ILE 8 -20.549 16.325 16.325
62 H GLU 9 HN GLU 9 -24.286 14.561 14.561
63 HA GLU 9 HA GLU 9 -24.515 12.339 12.339
64 1HB GLU 9 HB2 GLU 9 -26.762 13.936 13.936
65 2HB GLU 9 HB1 GLU 9 -26.592 12.228 12.228
66 1HG GLU 9 HG2 GLU 9 -26.609 11.712 11.712
67 2HG GLU 9 HG1 GLU 9 -26.855 13.431 13.431
68 HA PRO 10 HA PRO 10 -22.411 13.208 13.208
69 1HB PRO 10 HB2 PRO 10 -19.823 13.034 13.034
70 2HB PRO 10 HB1 PRO 10 -20.930 14.463 14.463
71 1HG PRO 10 HG2 PRO 10 -20.035 12.544 12.544
72 2HG PRO 10 HG1 PRO 10 -20.211 14.322 14.322
73 1HD PRO 10 HD2 PRO 10 -21.911 12.110 12.110
74 2HD PRO 10 HD1 PRO 10 -22.346 13.836 13.836
75 H TRP 11 HN TRP 11 -23.424 10.663 10.663
76 HA TRP 11 HA TRP 11 -21.190 8.768 8.768
77 1HB TRP 11 HB2 TRP 11 -23.946 8.317 8.317
78 2HB TRP 11 HB1 TRP 11 -22.570 7.169 7.169
79 HD1 TRP 11 HD1 TRP 11 -23.743 10.200 10.200
80 HE1 TRP 11 HE1 TRP 11 -22.178 10.500 10.500
81 HE3 TRP 11 HE3 TRP 11 -20.169 6.725 6.725
82 HZ2 TRP 11 HZ2 TRP 11 -19.739 9.399 9.399
83 HZ3 TRP 11 HZ3 TRP 11 -18.246 6.378 6.378
84 HH2 TRP 11 HH2 TRP 11 -18.027 7.706 7.706
85 H ASN 12 HN ASN 12 -22.241 10.185 10.185
86 HA ASN 12 HA ASN 12 -23.581 8.030 8.030
87 1HB ASN 12 HB2 ASN 12 -25.095 10.030 10.030
88 2HB ASN 12 HB1 ASN 12 -25.464 9.162 9.162
89 1HD2 ASN 12 HD22 ASN 12 -24.502 11.838 11.838
90 2HD2 ASN 12 HD21 ASN 12 -24.620 10.159 10.159
91 H HIS 13 HN HIS 13 -21.452 7.935 7.935
92 HA HIS 13 HA HIS 13 -20.587 10.319 10.319
93 1HB HIS 13 HB2 HIS 13 -19.381 7.721 7.721
94 2HB HIS 13 HB1 HIS 13 -18.575 8.663 8.663
95 HD1 HIS 13 HD1 HIS 13 -16.598 9.096 9.096
96 HD2 HIS 13 HD2 HIS 13 -20.256 10.714 10.714
97 HE1 HIS 13 HE1 HIS 13 -16.088 10.721 10.721
98 HA PRO 14 HA PRO 14 -22.044 8.456 8.456
99 1HB PRO 14 HB2 PRO 14 -20.314 9.834 9.834
100 2HB PRO 14 HB1 PRO 14 -21.802 10.497 10.497
101 1HG PRO 14 HG2 PRO 14 -18.908 10.683 10.683
102 2HG PRO 14 HG1 PRO 14 -20.117 11.971 11.971
103 1HD PRO 14 HD2 PRO 14 -19.338 10.739 10.739
104 2HD PRO 14 HD1 PRO 14 -20.972 11.425 11.425
105 H GLY 15 HN GLY 15 -18.835 8.262 8.262
106 1HA GLY 15 HA2 GLY 15 -17.206 6.697 6.697
107 2HA GLY 15 HA1 GLY 15 -18.304 5.654 5.654
108 H SER 16 HN SER 16 -17.800 8.945 8.945
109 HA SER 16 HA SER 16 -15.739 8.167 8.167
110 1HB SER 16 HB2 SER 16 -18.577 8.853 8.853
111 2HB SER 16 HB1 SER 16 -17.474 9.718 9.718
112 HG SER 16 HG SER 16 -18.174 7.692 7.692
113 H GLN 17 HN GLN 17 -16.627 10.348 10.348
114 HA GLN 17 HA GLN 17 -14.966 12.487 12.487
115 1HB GLN 17 HB2 GLN 17 -17.760 12.744 12.744
116 2HB GLN 17 HB1 GLN 17 -16.538 14.056 14.056
117 1HG GLN 17 HG2 GLN 17 -16.730 14.292 14.292
118 2HG GLN 17 HG1 GLN 17 -16.918 12.572 12.572
119 1HE2 GLN 17 HE22 GLN 17 -20.472 12.646 12.646
120 2HE2 GLN 17 HE21 GLN 17 -19.095 11.640 11.640
121 HA PRO 18 HA PRO 18 -14.687 13.224 13.224
122 1HB PRO 18 HB2 PRO 18 -16.074 11.570 11.570
123 2HB PRO 18 HB1 PRO 18 -16.740 13.101 13.101
124 1HG PRO 18 HG2 PRO 18 -17.178 10.306 10.306
125 2HG PRO 18 HG1 PRO 18 -18.345 11.611 11.611
126 1HD PRO 18 HD2 PRO 18 -17.423 10.926 10.926
127 2HD PRO 18 HD1 PRO 18 -17.792 12.647 12.647
128 H LYS 19 HN LYS 19 -15.044 9.896 9.896
129 HA LYS 19 HA LYS 19 -12.499 9.206 9.206
130 1HB LYS 19 HB2 LYS 19 -13.451 6.953 6.953
131 2HB LYS 19 HB1 LYS 19 -14.501 8.169 8.169
132 1HG LYS 19 HG2 LYS 19 -16.092 8.004 8.004
133 2HG LYS 19 HG1 LYS 19 -14.972 7.224 7.224
134 1HD LYS 19 HD2 LYS 19 -15.280 5.684 5.684
135 2HD LYS 19 HD1 LYS 19 -16.831 5.978 5.978
136 1HE LYS 19 HE2 LYS 19 -15.621 5.210 5.210
137 2HE LYS 19 HE1 LYS 19 -14.398 4.548 4.548
138 1HZ LYS 19 HZ3 LYS 19 -16.288 3.519 3.519
139 2HZ LYS 19 HZ2 LYS 19 -17.321 3.988 3.988
140 3HZ LYS 19 HZ1 LYS 19 -16.062 2.885 2.885
141 H THR 20 HN THR 20 -12.935 10.226 10.226
142 HA THR 20 HA THR 20 -11.397 8.153 8.153
143 HB THR 20 HB THR 20 -14.284 8.778 8.778
144 HG1 THR 20 HG1 THR 20 -12.686 6.443 6.443
145 1HG2 THR 20 HG21 THR 20 -12.273 7.971 7.971
146 2HG2 THR 20 HG23 THR 20 -14.021 7.832 7.832
147 3HG2 THR 20 HG22 THR 20 -13.278 9.421 9.421
148 H ALA 21 HN ALA 21 -13.072 11.321 11.321
149 HA ALA 21 HA ALA 21 -11.863 12.213 12.213
150 1HB ALA 21 HB2 ALA 21 -13.000 13.669 13.669
151 2HB ALA 21 HB1 ALA 21 -12.566 14.467 14.467
152 3HB ALA 21 HB3 ALA 21 -13.839 13.250 13.250
153 H SER 22 HN SER 22 -9.586 11.366 11.366
154 HA SER 22 HA SER 22 -7.329 11.840 11.840
155 1HB SER 22 HB2 SER 22 -8.666 13.919 13.919
156 2HB SER 22 HB1 SER 22 -7.806 14.737 14.737
157 HG SER 22 HG SER 22 -5.865 13.949 13.949
158 H ASN 23 HN ASN 23 -9.534 11.855 11.855
159 HA ASN 23 HA ASN 23 -8.213 13.402 13.402
160 1HB ASN 23 HB2 ASN 23 -10.125 12.821 12.821
161 2HB ASN 23 HB1 ASN 23 -10.747 12.570 12.570
162 1HD2 ASN 23 HD22 ASN 23 -10.238 8.917 8.917
163 2HD2 ASN 23 HD21 ASN 23 -9.728 10.134 10.134
164 H ARG 24 HN ARG 24 -8.398 11.427 11.427
165 HA ARG 24 HA ARG 24 -6.273 9.486 9.486
166 1HB ARG 24 HB2 ARG 24 -5.192 10.044 10.044
167 2HB ARG 24 HB1 ARG 24 -5.483 11.402 11.402
168 1HG ARG 24 HG2 ARG 24 -7.802 11.558 11.558
169 2HG ARG 24 HG1 ARG 24 -6.656 10.941 10.941
170 1HD ARG 24 HD2 ARG 24 -6.294 13.187 13.187
171 2HD ARG 24 HD1 ARG 24 -5.216 12.896 12.896
172 HE ARG 24 HE ARG 24 -7.514 13.239 13.239
173 1HH1 ARG 24 HH21 ARG 24 -9.175 14.394 14.394
174 2HH1 ARG 24 HH22 ARG 24 -8.795 16.083 16.083
175 1HH2 ARG 24 HH11 ARG 24 -5.797 15.659 15.659
176 2HH2 ARG 24 HH12 ARG 24 -6.878 16.801 16.801
177 H ALA 25 HN ALA 25 -8.828 10.202 10.202
178 HA ALA 25 HA ALA 25 -10.557 8.767 8.767
179 1HB ALA 25 HB3 ALA 25 -9.867 7.443 7.443
180 2HB ALA 25 HB2 ALA 25 -9.050 6.372 6.372
181 3HB ALA 25 HB1 ALA 25 -10.791 6.623 6.623
182 H HIS 26 HN HIS 26 -8.118 9.564 9.564
183 HA HIS 26 HA HIS 26 -8.410 7.766 7.766
184 1HB HIS 26 HB2 HIS 26 -5.728 7.512 7.512
185 2HB HIS 26 HB1 HIS 26 -6.873 6.378 6.378
186 HD1 HIS 26 HD1 HIS 26 -4.092 8.726 8.726
187 HD2 HIS 26 HD2 HIS 26 -7.105 6.806 6.806
188 HE1 HIS 26 HE1 HIS 26 -3.499 8.945 8.945
189 H ALA 27 HN ALA 27 -5.811 9.993 9.993
190 HA ALA 27 HA ALA 27 -5.423 11.342 11.342
191 1HB ALA 27 HB1 ALA 27 -4.374 11.412 11.412
192 2HB ALA 27 HB3 ALA 27 -5.231 12.954 12.954
193 3HB ALA 27 HB2 ALA 27 -3.989 12.589 12.589
194 H LYS 28 HN LYS 28 -7.939 11.588 11.588
195 HA LYS 28 HA LYS 28 -9.091 14.102 14.102
196 1HB LYS 28 HB2 LYS 28 -9.887 12.759 12.759
197 2HB LYS 28 HB1 LYS 28 -10.001 11.317 11.317
198 1HG LYS 28 HG2 LYS 28 -12.022 12.401 12.401
199 2HG LYS 28 HG1 LYS 28 -11.744 13.861 13.861
200 1HD LYS 28 HD2 LYS 28 -13.502 12.641 12.641
201 2HD LYS 28 HD1 LYS 28 -12.051 12.463 12.463
202 1HE LYS 28 HE2 LYS 28 -11.629 10.245 10.245
203 2HE LYS 28 HE1 LYS 28 -13.283 10.429 10.429
204 1HZ LYS 28 HZ3 LYS 28 -12.509 10.547 10.547
205 2HZ LYS 28 HZ2 LYS 28 -13.180 9.184 9.184
206 3HZ LYS 28 HZ1 LYS 28 -14.088 10.614 10.614
207 H LYS 29 HN LYS 29 -9.341 11.228 11.228
208 HA LYS 29 HA LYS 29 -10.280 12.918 12.918
209 1HB LYS 29 HB2 LYS 29 -12.404 11.945 11.945
210 2HB LYS 29 HB1 LYS 29 -12.230 12.100 12.100
211 1HG LYS 29 HG2 LYS 29 -11.862 9.578 9.578
212 2HG LYS 29 HG1 LYS 29 -13.088 9.916 9.916
213 1HD LYS 29 HD2 LYS 29 -11.170 10.162 10.162
214 2HD LYS 29 HD1 LYS 29 -10.160 9.496 9.496
215 1HE LYS 29 HE2 LYS 29 -10.730 7.608 7.608
216 2HE LYS 29 HE1 LYS 29 -11.777 7.514 7.514
217 1HZ LYS 29 HZ3 LYS 29 -12.515 8.840 8.840
218 2HZ LYS 29 HZ2 LYS 29 -13.009 7.276 7.276
219 3HZ LYS 29 HZ1 LYS 29 -13.532 8.617 8.617
220 H SER 30 HN SER 30 -8.083 10.765 10.765
221 HA SER 30 HA SER 30 -8.479 8.717 8.717
222 1HB SER 30 HB2 SER 30 -7.539 8.204 8.204
223 2HB SER 30 HB1 SER 30 -6.160 9.262 9.262
224 HG SER 30 HG SER 30 -6.075 6.854 6.854
225 H ALA 31 HN ALA 31 -8.085 9.356 9.356
226 HA ALA 31 HA ALA 31 -5.527 9.973 9.973
227 1HB ALA 31 HB2 ALA 31 -7.158 12.280 12.280
228 2HB ALA 31 HB1 ALA 31 -6.316 12.500 12.500
229 3HB ALA 31 HB3 ALA 31 -5.404 12.108 12.108
230 H TYR 32 HN TYR 32 -8.995 10.473 10.473
231 HA TYR 32 HA TYR 32 -8.788 9.893 9.893
232 1HB TYR 32 HB2 TYR 32 -11.329 11.166 11.166
233 2HB TYR 32 HB1 TYR 32 -9.928 11.768 11.768
234 HD1 TYR 32 HD1 TYR 32 -11.066 11.318 11.318
235 HD2 TYR 32 HD2 TYR 32 -8.986 13.727 13.727
236 HE1 TYR 32 HE1 TYR 32 -10.693 13.063 13.063
237 HE2 TYR 32 HE2 TYR 32 -8.616 15.471 15.471
238 HH TYR 32 HH TYR 32 -8.567 15.200 15.200
239 H HIS 33 HN HIS 33 -8.684 7.906 7.906
240 HA HIS 33 HA HIS 33 -9.613 5.840 5.840
241 1HB HIS 33 HB2 HIS 33 -11.845 6.811 6.811
242 2HB HIS 33 HB1 HIS 33 -11.597 5.165 5.165
243 HD1 HIS 33 HD1 HIS 33 -9.711 3.764 3.764
244 HD2 HIS 33 HD2 HIS 33 -9.879 7.624 7.624
245 HE1 HIS 33 HE1 HIS 33 -8.162 3.794 3.794
246 H SER 34 HN SER 34 -10.513 8.608 8.608
247 HA SER 34 HA SER 34 -11.834 9.264 9.264
248 1HB SER 34 HB2 SER 34 -10.870 7.610 7.610
249 2HB SER 34 HB1 SER 34 -11.456 6.318 6.318
250 HG SER 34 HG SER 34 -12.951 6.132 6.132
251 H GLN 35 HN GLN 35 -13.683 10.212 10.212
252 HA GLN 35 HA GLN 35 -16.019 8.379 8.379
253 1HB GLN 35 HB2 GLN 35 -15.305 11.055 11.055
254 2HB GLN 35 HB1 GLN 35 -16.781 10.125 10.125
255 1HG GLN 35 HG2 GLN 35 -13.924 9.310 9.310
256 2HG GLN 35 HG1 GLN 35 -15.214 9.625 9.625
257 1HE2 GLN 35 HE22 GLN 35 -14.766 5.910 5.910
258 2HE2 GLN 35 HE21 GLN 35 -13.554 7.111 7.111
259 H VAL 36 HN VAL 36 -14.830 10.549 10.549
260 HA VAL 36 HA VAL 36 -15.799 11.971 11.971
261 HB VAL 36 HB VAL 36 -18.073 9.994 9.994
262 1HG1 VAL 36 HG11 VAL 36 -17.518 11.973 11.973
263 2HG1 VAL 36 HG13 VAL 36 -17.230 10.405 10.405
264 3HG1 VAL 36 HG12 VAL 36 -18.791 10.752 10.752
265 1HG2 VAL 36 HG21 VAL 36 -15.927 8.745 8.745
266 2HG2 VAL 36 HG23 VAL 36 -16.916 8.409 8.409
267 3HG2 VAL 36 HG22 VAL 36 -15.514 9.472 9.472
268 H ALA 37 HN ALA 37 -16.101 13.563 13.563
269 HA ALA 37 HA ALA 37 -17.454 15.081 15.081
270 1HB ALA 37 HB3 ALA 37 -18.865 14.799 14.799
271 2HB ALA 37 HB2 ALA 37 -19.065 16.159 16.159
272 3HB ALA 37 HB1 ALA 37 -17.501 15.860 15.860
273 H PHE 38 HN PHE 38 -18.145 12.902 12.902
274 HA PHE 38 HA PHE 38 -21.028 12.331 12.331
275 1HB PHE 38 HB2 PHE 38 -20.608 10.391 10.391
276 2HB PHE 38 HB1 PHE 38 -19.196 10.560 10.560
277 HD1 PHE 38 HD1 PHE 38 -18.137 12.957 12.957
278 HD2 PHE 38 HD2 PHE 38 -19.508 8.937 8.937
279 HE1 PHE 38 HE1 PHE 38 -16.816 12.834 12.834
280 HE2 PHE 38 HE2 PHE 38 -18.185 8.819 8.819
281 HZ PHE 38 HZ PHE 38 -16.844 10.771 10.771
282 H ILE 39 HN ILE 39 -20.865 11.726 11.726
283 HA ILE 39 HA ILE 39 -22.505 13.811 13.811
284 HB ILE 39 HB ILE 39 -20.509 12.127 12.127
285 1HG1 ILE 39 HG12 ILE 39 -22.458 11.201 11.201
286 2HG1 ILE 39 HG11 ILE 39 -21.861 10.378 10.378
287 1HG2 ILE 39 HG22 ILE 39 -22.939 13.711 13.711
288 2HG2 ILE 39 HG21 ILE 39 -22.270 12.410 12.410
289 3HG2 ILE 39 HG23 ILE 39 -21.293 13.834 13.834
290 1HD1 ILE 39 HD11 ILE 39 -24.201 12.380 12.380
291 2HD1 ILE 39 HD13 ILE 39 -24.444 10.639 10.639
292 3HD1 ILE 39 HD12 ILE 39 -23.782 11.316 11.316
293 H THR 40 HN THR 40 -19.213 13.528 13.528
294 HA THR 40 HA THR 40 -19.180 16.440 16.440
295 HB THR 40 HB THR 40 -18.440 14.491 14.491
296 HG1 THR 40 HG1 THR 40 -16.638 16.644 16.644
297 1HG2 THR 40 HG23 THR 40 -16.099 14.710 14.710
298 2HG2 THR 40 HG22 THR 40 -15.919 14.117 14.117
299 3HG2 THR 40 HG21 THR 40 -16.963 13.262 13.262
300 H LYS 41 HN LYS 41 -17.311 17.767 17.767
301 HA LYS 41 HA LYS 41 -16.622 17.462 17.462
302 1HB LYS 41 HB2 LYS 41 -15.320 19.538 19.538
303 2HB LYS 41 HB1 LYS 41 -16.995 19.637 19.637
304 1HG LYS 41 HG2 LYS 41 -16.271 20.097 20.097
305 2HG LYS 41 HG1 LYS 41 -15.434 18.571 18.571
306 1HD LYS 41 HD2 LYS 41 -14.254 20.975 20.975
307 2HD LYS 41 HD1 LYS 41 -14.057 20.742 20.742
308 1HE LYS 41 HE2 LYS 41 -13.285 18.544 18.544
309 2HE LYS 41 HE1 LYS 41 -12.169 19.827 19.827
310 1HZ LYS 41 HZ2 LYS 41 -13.685 18.086 18.086
311 2HZ LYS 41 HZ1 LYS 41 -12.049 17.886 17.886
312 3HZ LYS 41 HZ3 LYS 41 -12.547 19.273 19.273
313 H GLY 42 HN GLY 42 -14.956 16.712 16.712
314 1HA GLY 42 HA2 GLY 42 -12.317 16.479 16.479
315 2HA GLY 42 HA1 GLY 42 -12.838 15.864 15.864
316 H LEU 43 HN LEU 43 -15.076 14.566 14.566
317 HA LEU 43 HA LEU 43 -15.476 12.584 12.584
318 1HB LEU 43 HB2 LEU 43 -12.569 12.997 12.997
319 2HB LEU 43 HB1 LEU 43 -13.643 11.813 11.813
320 HG LEU 43 HG LEU 43 -14.297 14.766 14.766
321 1HD1 LEU 43 HD11 LEU 43 -12.972 13.207 13.207
322 2HD1 LEU 43 HD13 LEU 43 -13.878 14.691 14.691
323 3HD1 LEU 43 HD12 LEU 43 -12.448 14.721 14.721
324 1HD2 LEU 43 HD23 LEU 43 -16.183 13.171 13.171
325 2HD2 LEU 43 HD22 LEU 43 -16.021 14.245 14.245
326 3HD2 LEU 43 HD21 LEU 43 -15.479 12.571 12.571
327 H GLY 44 HN GLY 44 -15.198 12.123 12.123
328 1HA GLY 44 HA2 GLY 44 -14.908 10.207 10.207
329 2HA GLY 44 HA1 GLY 44 -14.168 9.413 9.413
330 H ILE 45 HN ILE 45 -12.823 12.467 12.467
331 HA ILE 45 HA ILE 45 -10.212 11.426 11.426
332 HB ILE 45 HB ILE 45 -9.953 13.643 13.643
333 1HG1 ILE 45 HG12 ILE 45 -12.122 14.964 14.964
334 2HG1 ILE 45 HG11 ILE 45 -12.863 13.572 13.572
335 1HG2 ILE 45 HG21 ILE 45 -10.427 13.118 13.118
336 2HG2 ILE 45 HG23 ILE 45 -10.707 14.800 14.800
337 3HG2 ILE 45 HG22 ILE 45 -9.145 14.047 14.047
338 1HD1 ILE 45 HD13 ILE 45 -10.875 14.636 14.636
339 2HD1 ILE 45 HD12 ILE 45 -11.679 16.038 16.038
340 3HD1 ILE 45 HD11 ILE 45 -12.620 14.831 14.831
341 H SER 46 HN SER 46 -12.402 12.533 12.533
342 HA SER 46 HA SER 46 -11.818 10.202 10.202
343 1HB SER 46 HB2 SER 46 -10.460 11.429 11.429
344 2HB SER 46 HB1 SER 46 -9.652 11.384 11.384
345 HG SER 46 HG SER 46 -10.531 13.507 13.507
346 H TYR 47 HN TYR 47 -14.072 12.224 12.224
347 HA TYR 47 HA TYR 47 -14.972 13.343 13.343
348 1HB TYR 47 HB2 TYR 47 -16.683 14.326 14.326
349 2HB TYR 47 HB1 TYR 47 -15.300 14.197 14.197
350 HD1 TYR 47 HD1 TYR 47 -15.118 12.558 12.558
351 HD2 TYR 47 HD2 TYR 47 -18.628 12.863 12.863
352 HE1 TYR 47 HE1 TYR 47 -16.373 11.195 11.195
353 HE2 TYR 47 HE2 TYR 47 -19.889 11.485 11.485
354 HH TYR 47 HH TYR 47 -19.510 11.066 11.066
355 H GLY 48 HN GLY 48 -15.226 10.261 10.261
356 1HA GLY 48 HA2 GLY 48 -16.197 8.408 8.408
357 2HA GLY 48 HA1 GLY 48 -17.471 9.500 9.500
358 H ARG 49 HN ARG 49 -16.033 8.251 8.251
359 HA ARG 49 HA ARG 49 -18.468 8.741 8.741
360 1HB ARG 49 HB2 ARG 49 -17.164 8.007 8.007
361 2HB ARG 49 HB1 ARG 49 -16.076 8.940 8.940
362 1HG ARG 49 HG2 ARG 49 -15.346 6.747 6.747
363 2HG ARG 49 HG1 ARG 49 -16.276 5.918 5.918
364 1HD ARG 49 HD2 ARG 49 -14.234 7.979 7.979
365 2HD ARG 49 HD1 ARG 49 -13.831 6.214 6.214
366 HE ARG 49 HE ARG 49 -15.831 7.759 7.759
367 1HH1 ARG 49 HH21 ARG 49 -16.991 5.742 5.742
368 2HH1 ARG 49 HH22 ARG 49 -15.912 4.702 4.702
369 1HH2 ARG 49 HH11 ARG 49 -13.041 6.103 6.103
370 2HH2 ARG 49 HH12 ARG 49 -13.673 4.908 4.908
371 H LYS 50 HN LYS 50 -19.443 6.994 6.994
372 HA LYS 50 HA LYS 50 -19.357 4.268 4.268
373 1HB LYS 50 HB2 LYS 50 -21.798 4.294 4.294
374 2HB LYS 50 HB1 LYS 50 -21.107 5.636 5.636
375 1HG LYS 50 HG2 LYS 50 -21.680 6.317 6.317
376 2HG LYS 50 HG1 LYS 50 -23.140 5.840 5.840
377 1HD LYS 50 HD2 LYS 50 -22.471 7.530 7.530
378 2HD LYS 50 HD1 LYS 50 -21.090 7.967 7.967
379 1HE LYS 50 HE2 LYS 50 -22.393 8.959 8.959
380 2HE LYS 50 HE1 LYS 50 -23.849 8.051 8.051
381 1HZ LYS 50 HZ2 LYS 50 -23.768 9.206 9.206
382 2HZ LYS 50 HZ1 LYS 50 -22.502 10.176 10.176
383 3HZ LYS 50 HZ3 LYS 50 -24.038 10.263 10.263
384 H LYS 51 HN LYS 51 -18.734 5.821 5.821
385 HA LYS 51 HA LYS 51 -18.818 5.393 5.393
386 1HB LYS 51 HB2 LYS 51 -20.069 2.713 2.713
387 2HB LYS 51 HB1 LYS 51 -18.809 3.134 3.134
388 1HG LYS 51 HG2 LYS 51 -17.281 3.569 3.569
389 2HG LYS 51 HG1 LYS 51 -18.585 2.816 2.816
390 1HD LYS 51 HD2 LYS 51 -17.262 1.449 1.449
391 2HD LYS 51 HD1 LYS 51 -16.835 1.179 1.179
392 1HE LYS 51 HE2 LYS 51 -19.223 0.549 0.549
393 2HE LYS 51 HE1 LYS 51 -19.558 0.740 0.740
394 1HZ LYS 51 HZ1 LYS 51 -17.370 -1.002 -1.002
395 2HZ LYS 51 HZ3 LYS 51 -18.904 -1.595 -1.595
396 3HZ LYS 51 HZ2 LYS 51 -17.914 -0.894 -0.894
397 H ARG 52 HN ARG 52 -20.897 6.905 6.905
398 HA ARG 52 HA ARG 52 -23.143 7.510 7.510
399 1HB ARG 52 HB2 ARG 52 -23.889 7.009 7.009
400 2HB ARG 52 HB1 ARG 52 -22.468 8.069 8.069
401 1HG ARG 52 HG2 ARG 52 -22.433 5.015 5.015
402 2HG ARG 52 HG1 ARG 52 -22.634 6.189 6.189
403 1HD ARG 52 HD2 ARG 52 -20.580 7.089 7.089
404 2HD ARG 52 HD1 ARG 52 -20.292 6.768 6.768
405 HE ARG 52 HE ARG 52 -20.500 4.243 4.243
406 1HH1 ARG 52 HH11 ARG 52 -19.541 5.388 5.388
407 2HH1 ARG 52 HH12 ARG 52 -17.822 5.255 5.255
408 1HH2 ARG 52 HH21 ARG 52 -17.896 4.777 4.777
409 2HH2 ARG 52 HH22 ARG 52 -16.890 4.904 4.904
410 H ARG 53 HN ARG 53 -22.585 4.580 4.580
411 HA ARG 53 HA ARG 53 -23.782 2.546 2.546
412 1HB ARG 53 HB2 ARG 53 -24.693 4.626 4.626
413 2HB ARG 53 HB1 ARG 53 -26.194 4.353 4.353
414 1HG ARG 53 HG2 ARG 53 -25.337 1.821 1.821
415 2HG ARG 53 HG1 ARG 53 -24.941 2.946 2.946
416 1HD ARG 53 HD2 ARG 53 -27.264 3.722 3.722
417 2HD ARG 53 HD1 ARG 53 -27.704 2.773 2.773
418 HE ARG 53 HE ARG 53 -26.830 0.761 0.761
419 1HH1 ARG 53 HH21 ARG 53 -26.355 1.987 1.987
420 2HH1 ARG 53 HH22 ARG 53 -27.887 1.941 1.941
421 1HH2 ARG 53 HH11 ARG 53 -29.699 1.393 1.393
422 2HH2 ARG 53 HH12 ARG 53 -29.786 1.604 1.604
423 H GLN 54 HN GLN 54 -23.457 3.429 3.429
424 HA GLN 54 HA GLN 54 -24.331 3.215 3.215
425 1HB GLN 54 HB2 GLN 54 -25.750 0.809 0.809
426 2HB GLN 54 HB1 GLN 54 -25.263 1.370 1.370
427 1HG GLN 54 HG2 GLN 54 -23.321 0.882 0.882
428 2HG GLN 54 HG1 GLN 54 -23.536 -0.344 -0.344
429 1HE2 GLN 54 HE22 GLN 54 -21.852 1.810 1.810
430 2HE2 GLN 54 HE21 GLN 54 -23.183 0.749 0.749
431 H ARG 55 HN ARG 55 -25.679 5.237 5.237
432 HA ARG 55 HA ARG 55 -28.513 4.891 4.891
433 1HB ARG 55 HB2 ARG 55 -26.729 7.162 7.162
434 2HB ARG 55 HB1 ARG 55 -28.465 7.377 7.377
435 1HG ARG 55 HG2 ARG 55 -26.991 6.053 6.053
436 2HG ARG 55 HG1 ARG 55 -26.782 7.795 7.795
437 1HD ARG 55 HD2 ARG 55 -29.327 7.955 7.955
438 2HD ARG 55 HD1 ARG 55 -29.373 6.196 6.196
439 HE ARG 55 HE ARG 55 -27.536 7.402 7.402
440 1HH1 ARG 55 HH11 ARG 55 -29.279 5.221 5.221
441 2HH1 ARG 55 HH12 ARG 55 -30.478 6.018 6.018
442 1HH2 ARG 55 HH21 ARG 55 -29.771 9.178 9.178
443 2HH2 ARG 55 HH22 ARG 55 -30.757 8.266 8.266
444 H ARG 56 HN ARG 56 -26.793 4.241 4.241
445 HA ARG 56 HA ARG 56 -29.264 4.492 4.492
446 1HB ARG 56 HB2 ARG 56 -28.011 5.559 5.559
447 2HB ARG 56 HB1 ARG 56 -27.707 6.436 6.436
448 1HG ARG 56 HG2 ARG 56 -25.848 4.224 4.224
449 2HG ARG 56 HG1 ARG 56 -25.693 5.767 5.767
450 1HD ARG 56 HD2 ARG 56 -26.007 6.358 6.358
451 2HD ARG 56 HD1 ARG 56 -24.924 4.954 4.954
452 HE ARG 56 HE ARG 56 -24.295 7.046 7.046
453 1HH1 ARG 56 HH21 ARG 56 -22.096 5.454 5.454
454 2HH1 ARG 56 HH22 ARG 56 -21.352 6.450 6.450
455 1HH2 ARG 56 HH11 ARG 56 -24.109 8.539 8.539
456 2HH2 ARG 56 HH12 ARG 56 -22.497 8.203 8.203
457 H ARG 57 HN ARG 57 -28.009 2.167 2.167
458 HA ARG 57 HA ARG 57 -26.369 0.648 0.648
459 1HB ARG 57 HB2 ARG 57 -27.017 0.280 0.280
460 2HB ARG 57 HB1 ARG 57 -28.501 -0.460 -0.460
461 1HG ARG 57 HG2 ARG 57 -26.913 -2.224 -2.224
462 2HG ARG 57 HG1 ARG 57 -27.043 -1.977 -1.977
463 1HD ARG 57 HD2 ARG 57 -24.982 -0.603 -0.603
464 2HD ARG 57 HD1 ARG 57 -24.855 -0.822 -0.822
465 HE ARG 57 HE ARG 57 -24.028 -2.989 -2.989
466 1HH1 ARG 57 HH21 ARG 57 -25.881 -4.700 -4.700
467 2HH1 ARG 57 HH22 ARG 57 -25.677 -4.860 -4.860
468 1HH2 ARG 57 HH11 ARG 57 -23.802 -1.955 -1.955
469 2HH2 ARG 57 HH12 ARG 57 -24.495 -3.306 -3.306
470 HA PRO 58 HA PRO 58 -30.430 -1.203 -1.203
471 1HB PRO 58 HB2 PRO 58 -32.716 0.303 0.303
472 2HB PRO 58 HB1 PRO 58 -32.237 -0.908 -0.908
473 1HG PRO 58 HG2 PRO 58 -31.944 2.054 2.054
474 2HG PRO 58 HG1 PRO 58 -32.379 0.930 0.930
475 1HD PRO 58 HD2 PRO 58 -29.973 2.050 2.050
476 2HD PRO 58 HD1 PRO 58 -30.123 0.530 0.530
477 H SER 59 HN SER 59 -29.613 2.197 2.197
478 HA SER 59 HA SER 59 -30.749 2.514 2.514
479 1HB SER 59 HB2 SER 59 -29.223 4.259 4.259
480 2HB SER 59 HB1 SER 59 -29.626 4.803 4.803
481 HG SER 59 HG SER 59 -31.232 5.407 5.407
482 H GLN 60 HN GLN 60 -29.577 1.727 1.727
483 HA GLN 60 HA GLN 60 -26.668 2.269 2.269
484 1HB GLN 60 HB2 GLN 60 -27.962 -0.454 -0.454
485 2HB GLN 60 HB1 GLN 60 -26.543 -0.185 -0.185
486 1HG GLN 60 HG2 GLN 60 -25.297 0.714 0.714
487 2HG GLN 60 HG1 GLN 60 -26.717 0.774 0.774
488 1HE2 GLN 60 HE22 GLN 60 -26.050 -2.473 -2.473
489 2HE2 GLN 60 HE21 GLN 60 -26.474 -0.847 -0.847
490 H GLY 61 HN GLY 61 -29.323 2.915 2.915
491 1HA GLY 61 HA2 GLY 61 -28.991 1.709 1.709
492 2HA GLY 61 HA1 GLY 61 -30.101 3.055 3.055
493 H GLY 62 HN GLY 62 -26.891 2.091 2.091
494 1HA GLY 62 HA2 GLY 62 -25.165 3.296 3.296
495 2HA GLY 62 HA1 GLY 62 -26.363 4.529 4.529
496 H GLN 63 HN GLN 63 -25.722 3.468 3.468
497 HA GLN 63 HA GLN 63 -25.229 6.195 6.195
498 1HB GLN 63 HB2 GLN 63 -25.204 3.442 3.442
499 2HB GLN 63 HB1 GLN 63 -24.713 4.831 4.831
500 1HG GLN 63 HG2 GLN 63 -27.307 4.394 4.394
501 2HG GLN 63 HG1 GLN 63 -27.129 4.180 4.180
502 1HE2 GLN 63 HE22 GLN 63 -26.415 7.977 7.977
503 2HE2 GLN 63 HE21 GLN 63 -25.385 6.634 6.634
504 H THR 64 HN THR 64 -23.211 3.478 3.478
505 HA THR 64 HA THR 64 -20.858 3.183 3.183
506 HB THR 64 HB THR 64 -21.094 6.179 6.179
507 HG1 THR 64 HG1 THR 64 -20.994 4.099 4.099
508 1HG2 THR 64 HG22 THR 64 -18.852 4.229 4.229
509 2HG2 THR 64 HG21 THR 64 -18.915 5.637 5.637
510 3HG2 THR 64 HG23 THR 64 -18.830 5.853 5.853
511 H HIS 65 HN HIS 65 -21.926 3.105 3.105
512 HA HIS 65 HA HIS 65 -20.854 5.061 5.061
513 1HB HIS 65 HB2 HIS 65 -22.154 2.369 2.369
514 2HB HIS 65 HB1 HIS 65 -21.306 3.050 3.050
515 HD1 HIS 65 HD1 HIS 65 -24.457 2.476 2.476
516 HD2 HIS 65 HD2 HIS 65 -22.622 6.181 6.181
517 HE1 HIS 65 HE1 HIS 65 -26.272 4.227 4.227
518 H GLN 66 HN GLN 66 -19.424 3.967 3.967
519 HA GLN 66 HA GLN 66 -17.078 2.661 2.661
520 1HB GLN 66 HB2 GLN 66 -17.388 4.931 4.931
521 2HB GLN 66 HB1 GLN 66 -15.788 4.174 4.174
522 1HG GLN 66 HG2 GLN 66 -15.499 5.433 5.433
523 2HG GLN 66 HG1 GLN 66 -16.894 4.659 4.659
524 1HE2 GLN 66 HE22 GLN 66 -19.148 7.378 7.378
525 2HE2 GLN 66 HE21 GLN 66 -19.128 5.692 5.692
526 H ASP 67 HN ASP 67 -18.401 3.423 3.423
527 HA ASP 67 HA ASP 67 -17.038 1.157 1.157
528 1HB ASP 67 HB2 ASP 67 -17.361 3.267 3.267
529 2HB ASP 67 HB1 ASP 67 -19.112 3.138 3.138
530 HA PRO 68 HA PRO 68 -21.547 -0.483 -0.483
531 1HB PRO 68 HB2 PRO 68 -23.397 0.446 0.446
532 2HB PRO 68 HB1 PRO 68 -23.147 1.193 1.193
533 1HG PRO 68 HG2 PRO 68 -22.189 1.919 1.919
534 2HG PRO 68 HG1 PRO 68 -22.710 3.040 3.040
535 1HD PRO 68 HD2 PRO 68 -20.146 2.658 2.658
536 2HD PRO 68 HD1 PRO 68 -20.671 3.038 3.038
537 H ILE 69 HN ILE 69 -20.653 0.314 0.314
538 HA ILE 69 HA ILE 69 -21.104 -2.597 -2.597
539 HB ILE 69 HB ILE 69 -22.407 -2.071 -2.071
540 1HG1 ILE 69 HG12 ILE 69 -20.941 -0.919 -0.919
541 2HG1 ILE 69 HG11 ILE 69 -22.275 0.185 0.185
542 1HG2 ILE 69 HG21 ILE 69 -23.392 -0.928 -0.928
543 2HG2 ILE 69 HG23 ILE 69 -22.620 0.571 0.571
544 3HG2 ILE 69 HG22 ILE 69 -23.853 -0.187 -0.187
545 1HD1 ILE 69 HD12 ILE 69 -20.841 1.118 1.118
546 2HD1 ILE 69 HD11 ILE 69 -19.482 0.372 0.372
547 3HD1 ILE 69 HD13 ILE 69 -20.463 1.586 1.586
548 HA PRO 70 HA PRO 70 -16.787 -1.053 -1.053
549 1HB PRO 70 HB2 PRO 70 -15.356 -2.498 -2.498
550 2HB PRO 70 HB1 PRO 70 -15.782 -0.781 -0.781
551 1HG PRO 70 HG2 PRO 70 -17.068 -3.307 -3.307
552 2HG PRO 70 HG1 PRO 70 -16.777 -1.785 -1.785
553 1HD PRO 70 HD2 PRO 70 -19.206 -2.411 -2.411
554 2HD PRO 70 HD1 PRO 70 -18.591 -0.726 -0.726
555 H LYS 71 HN LYS 71 -18.522 -3.953 -3.953
556 HA LYS 71 HA LYS 71 -16.536 -5.833 -5.833
557 1HB LYS 71 HB2 LYS 71 -18.582 -7.335 -7.335
558 2HB LYS 71 HB1 LYS 71 -18.233 -6.609 -6.609
559 1HG LYS 71 HG2 LYS 71 -19.998 -4.774 -4.774
560 2HG LYS 71 HG1 LYS 71 -20.577 -6.384 -6.384
561 1HD LYS 71 HD2 LYS 71 -21.672 -5.785 -5.785
562 2HD LYS 71 HD1 LYS 71 -20.470 -6.992 -6.992
563 1HE LYS 71 HE2 LYS 71 -18.984 -5.258 -5.258
564 2HE LYS 71 HE1 LYS 71 -20.020 -3.984 -3.984
565 1HZ LYS 71 HZ3 LYS 71 -21.858 -4.851 -4.851
566 2HZ LYS 71 HZ2 LYS 71 -20.831 -6.034 -6.034
567 3HZ LYS 71 HZ1 LYS 71 -20.554 -4.389 -4.389
568 H GLN 72 HN GLN 72 -19.293 -4.069 -4.069
569 HA GLN 72 HA GLN 72 -18.122 -4.444 -4.444
570 1HB GLN 72 HB2 GLN 72 -20.621 -5.386 -5.386
571 2HB GLN 72 HB1 GLN 72 -19.240 -6.433 -6.433
572 1HG GLN 72 HG2 GLN 72 -20.897 -7.255 -7.255
573 2HG GLN 72 HG1 GLN 72 -20.069 -6.262 -6.262
574 1HE2 GLN 72 HE22 GLN 72 -22.915 -3.975 -3.975
575 2HE2 GLN 72 HE21 GLN 72 -21.251 -4.090 -4.090
576 HA PRO 73 HA PRO 73 -20.300 -0.728 -0.728
577 1HB PRO 73 HB2 PRO 73 -21.525 -1.181 -1.181
578 2HB PRO 73 HB1 PRO 73 -19.770 -0.900 -0.900
579 1HG PRO 73 HG2 PRO 73 -21.241 -3.523 -3.523
580 2HG PRO 73 HG1 PRO 73 -19.801 -3.003 -3.003
581 1HD PRO 73 HD2 PRO 73 -19.666 -4.604 -4.604
582 2HD PRO 73 HD1 PRO 73 -18.436 -3.342 -3.342
583 H SER 74 HN SER 74 -22.352 -3.525 -3.525
584 HA SER 74 HA SER 74 -24.535 -4.116 -4.116
585 1HB SER 74 HB2 SER 74 -24.689 -4.026 -4.026
586 2HB SER 74 HB1 SER 74 -23.171 -3.084 -3.084
587 HG SER 74 HG SER 74 -25.672 -2.347 -2.347
588 H SER 75 HN SER 75 -26.129 -3.419 -3.419
589 HA SER 75 HA SER 75 -27.895 -2.048 -2.048
590 1HB SER 75 HB2 SER 75 -27.383 -1.204 -1.204
591 2HB SER 75 HB1 SER 75 -27.084 0.258 0.258
592 HG SER 75 HG SER 75 -29.159 0.230 0.230
593 H GLN 76 HN GLN 76 -24.578 -1.050 -1.050
594 HA GLN 76 HA GLN 76 -24.979 1.219 1.219
595 1HB GLN 76 HB2 GLN 76 -22.780 -0.125 -0.125
596 2HB GLN 76 HB1 GLN 76 -22.342 0.678 0.678
597 1HG GLN 76 HG2 GLN 76 -22.297 2.610 2.610
598 2HG GLN 76 HG1 GLN 76 -24.052 2.477 2.477
599 1HE2 GLN 76 HE22 GLN 76 -23.856 1.066 1.066
600 2HE2 GLN 76 HE21 GLN 76 -24.756 0.921 0.921
601 HA PRO 77 HA PRO 77 -23.080 -1.984 -1.984
602 1HB PRO 77 HB2 PRO 77 -23.057 -4.642 -4.642
603 2HB PRO 77 HB1 PRO 77 -21.713 -3.502 -3.502
604 1HG PRO 77 HG2 PRO 77 -23.848 -4.521 -4.521
605 2HG PRO 77 HG1 PRO 77 -22.159 -4.145 -4.145
606 1HD PRO 77 HD2 PRO 77 -24.346 -2.629 -2.629
607 2HD PRO 77 HD1 PRO 77 -22.682 -2.000 -2.000
608 H ARG 78 HN ARG 78 -25.917 -2.704 -2.704
609 HA ARG 78 HA ARG 78 -27.350 -3.475 -3.475
610 1HB ARG 78 HB2 ARG 78 -28.393 -5.346 -5.346
611 2HB ARG 78 HB1 ARG 78 -26.627 -5.558 -5.558
612 1HG ARG 78 HG2 ARG 78 -26.617 -4.403 -4.403
613 2HG ARG 78 HG1 ARG 78 -28.351 -4.661 -4.661
614 1HD ARG 78 HD2 ARG 78 -26.418 -6.942 -6.942
615 2HD ARG 78 HD1 ARG 78 -26.983 -6.492 -6.492
616 HE ARG 78 HE ARG 78 -29.061 -6.851 -6.851
617 1HH1 ARG 78 HH21 ARG 78 -30.569 -7.108 -7.108
618 2HH1 ARG 78 HH22 ARG 78 -30.365 -8.693 -8.693
619 1HH2 ARG 78 HH11 ARG 78 -27.405 -9.322 -9.322
620 2HH2 ARG 78 HH12 ARG 78 -28.572 -9.946 -9.946
621 H GLY 79 HN GLY 79 -27.439 -0.972 -0.972
622 1HA GLY 79 HA2 GLY 79 -30.348 -0.846 -0.846
623 2HA GLY 79 HA1 GLY 79 -29.382 -0.597 -0.597
624 H ASP 80 HN ASP 80 -28.562 1.420 1.420
625 HA ASP 80 HA ASP 80 -29.299 3.609 3.609
626 1HB ASP 80 HB2 ASP 80 -29.106 3.505 3.505
627 2HB ASP 80 HB1 ASP 80 -27.361 3.684 3.684
628 HA PRO 81 HA PRO 81 -25.536 3.192 3.192
629 1HB PRO 81 HB2 PRO 81 -26.045 5.275 5.275
630 2HB PRO 81 HB1 PRO 81 -26.807 3.684 3.684
631 1HG PRO 81 HG2 PRO 81 -27.888 6.200 6.200
632 2HG PRO 81 HG1 PRO 81 -28.690 4.991 4.991
633 1HD PRO 81 HD2 PRO 81 -28.996 5.125 5.125
634 2HD PRO 81 HD1 PRO 81 -29.167 3.620 3.620
635 H THR 82 HN THR 82 -24.148 3.880 3.880
636 HA THR 82 HA THR 82 -23.907 6.665 6.665
637 HB THR 82 HB THR 82 -21.632 5.535 5.535
638 HG1 THR 82 HG1 THR 82 -21.568 3.528 3.528
639 1HG2 THR 82 HG23 THR 82 -23.505 6.350 6.350
640 2HG2 THR 82 HG22 THR 82 -24.398 4.867 4.867
641 3HG2 THR 82 HG21 THR 82 -22.902 4.799 4.799
642 H GLY 83 HN GLY 83 -21.451 4.554 4.554
643 1HA GLY 83 HA2 GLY 83 -20.756 6.598 6.598
644 2HA GLY 83 HA1 GLY 83 -19.690 6.447 6.447
645 HA PRO 84 HA PRO 84 -18.132 2.939 2.939
646 1HB PRO 84 HB2 PRO 84 -15.805 2.754 2.754
647 2HB PRO 84 HB1 PRO 84 -16.112 4.022 4.022
648 1HG PRO 84 HG2 PRO 84 -15.911 4.279 4.279
649 2HG PRO 84 HG1 PRO 84 -16.087 5.560 5.560
650 1HD PRO 84 HD2 PRO 84 -18.115 4.254 4.254
651 2HD PRO 84 HD1 PRO 84 -18.193 5.863 5.863
652 H LYS 85 HN LYS 85 -19.591 2.734 2.734
653 HA LYS 85 HA LYS 85 -18.481 0.122 0.122
654 1HB LYS 85 HB2 LYS 85 -20.791 1.779 1.779
655 2HB LYS 85 HB1 LYS 85 -19.994 0.436 0.436
656 1HG LYS 85 HG2 LYS 85 -18.668 3.067 3.067
657 2HG LYS 85 HG1 LYS 85 -19.175 2.610 2.610
658 1HD LYS 85 HD2 LYS 85 -17.163 1.065 1.065
659 2HD LYS 85 HD1 LYS 85 -16.750 2.254 2.254
660 1HE LYS 85 HE2 LYS 85 -17.515 0.917 0.917
661 2HE LYS 85 HE1 LYS 85 -18.582 -0.044 -0.044
662 1HZ LYS 85 HZ3 LYS 85 -16.559 -0.814 -0.814
663 2HZ LYS 85 HZ2 LYS 85 -15.614 -0.060 -0.060
664 3HZ LYS 85 HZ1 LYS 85 -16.652 -1.339 -1.339
665 H GLU 86 HN GLU 86 -20.367 0.805 0.805
666 HA GLU 86 HA GLU 86 -22.733 -0.825 -0.825
667 1HB GLU 86 HB2 GLU 86 -21.383 0.359 0.359
668 2HB GLU 86 HB1 GLU 86 -22.945 -0.485 -0.485
669 1HG GLU 86 HG2 GLU 86 -23.777 1.099 1.099
670 2HG GLU 86 HG1 GLU 86 -22.260 2.024 2.024
Start of MODEL 4
1 1H LEU 1 HT3 LEU 1 -23.218 20.633 20.633
2 2H LEU 1 HT2 LEU 1 -21.922 21.087 21.087
3 3H LEU 1 HT1 LEU 1 -23.502 21.045 21.045
4 HA LEU 1 HA LEU 1 -22.517 19.088 19.088
5 1HB LEU 1 HB2 LEU 1 -21.106 17.712 17.712
6 2HB LEU 1 HB1 LEU 1 -20.561 19.394 19.394
7 HG LEU 1 HG LEU 1 -22.559 19.004 19.004
8 1HD1 LEU 1 HD11 LEU 1 -21.826 16.541 16.541
9 2HD1 LEU 1 HD13 LEU 1 -20.348 17.012 17.012
10 3HD1 LEU 1 HD12 LEU 1 -21.904 17.131 17.131
11 1HD2 LEU 1 HD22 LEU 1 -20.514 20.530 20.530
12 2HD2 LEU 1 HD21 LEU 1 -20.866 19.751 19.751
13 3HD2 LEU 1 HD23 LEU 1 -19.580 19.125 19.125
14 H ASP 2 HN ASP 2 -23.096 16.709 16.709
15 HA ASP 2 HA ASP 2 -24.895 15.221 15.221
16 1HB ASP 2 HB2 ASP 2 -23.709 15.764 15.764
17 2HB ASP 2 HB1 ASP 2 -25.241 16.599 16.599
18 HA PRO 3 HA PRO 3 -28.248 18.408 18.408
19 1HB PRO 3 HB2 PRO 3 -28.148 19.025 19.025
20 2HB PRO 3 HB1 PRO 3 -27.215 19.877 19.877
21 1HG PRO 3 HG2 PRO 3 -26.282 18.044 18.044
22 2HG PRO 3 HG1 PRO 3 -25.372 19.168 19.168
23 1HD PRO 3 HD2 PRO 3 -25.880 16.310 16.310
24 2HD PRO 3 HD1 PRO 3 -24.561 17.276 17.276
25 H VAL 4 HN VAL 4 -28.126 17.081 17.081
26 HA VAL 4 HA VAL 4 -30.632 15.611 15.611
27 HB VAL 4 HB VAL 4 -28.489 16.049 16.049
28 1HG1 VAL 4 HG12 VAL 4 -30.648 13.960 13.960
29 2HG1 VAL 4 HG11 VAL 4 -30.123 14.832 14.832
30 3HG1 VAL 4 HG13 VAL 4 -28.966 13.868 13.868
31 1HG2 VAL 4 HG23 VAL 4 -30.155 17.771 17.771
32 2HG2 VAL 4 HG22 VAL 4 -30.348 17.028 17.028
33 3HG2 VAL 4 HG21 VAL 4 -31.450 16.607 16.607
34 H ASP 5 HN ASP 5 -27.401 14.549 14.549
35 HA ASP 5 HA ASP 5 -27.466 12.271 12.271
36 1HB ASP 5 HB2 ASP 5 -28.197 11.078 11.078
37 2HB ASP 5 HB1 ASP 5 -27.576 12.146 12.146
38 HA PRO 6 HA PRO 6 -23.091 13.623 13.623
39 1HB PRO 6 HB2 PRO 6 -22.217 13.893 13.893
40 2HB PRO 6 HB1 PRO 6 -22.426 12.284 12.284
41 1HG PRO 6 HG2 PRO 6 -23.854 13.529 13.529
42 2HG PRO 6 HG1 PRO 6 -24.054 11.842 11.842
43 1HD PRO 6 HD2 PRO 6 -25.662 14.243 14.243
44 2HD PRO 6 HD1 PRO 6 -26.065 12.518 12.518
45 H ASN 7 HN ASN 7 -21.745 15.553 15.553
46 HA ASN 7 HA ASN 7 -23.122 17.987 17.987
47 1HB ASN 7 HB2 ASN 7 -20.611 17.276 17.276
48 2HB ASN 7 HB1 ASN 7 -21.162 18.956 18.956
49 1HD2 ASN 7 HD22 ASN 7 -19.259 17.449 17.449
50 2HD2 ASN 7 HD21 ASN 7 -19.299 16.664 16.664
51 H ILE 8 HN ILE 8 -22.313 16.643 16.643
52 HA ILE 8 HA ILE 8 -24.730 18.056 18.056
53 HB ILE 8 HB ILE 8 -23.501 19.001 19.001
54 1HG1 ILE 8 HG12 ILE 8 -22.201 17.086 17.086
55 2HG1 ILE 8 HG11 ILE 8 -21.138 18.438 18.438
56 1HG2 ILE 8 HG21 ILE 8 -22.983 19.944 19.944
57 2HG2 ILE 8 HG23 ILE 8 -21.438 19.101 19.101
58 3HG2 ILE 8 HG22 ILE 8 -21.851 20.357 20.357
59 1HD1 ILE 8 HD12 ILE 8 -20.783 17.427 17.427
60 2HD1 ILE 8 HD11 ILE 8 -21.461 15.955 15.955
61 3HD1 ILE 8 HD13 ILE 8 -19.993 16.658 16.658
62 H GLU 9 HN GLU 9 -24.047 15.159 15.159
63 HA GLU 9 HA GLU 9 -24.306 13.013 13.013
64 1HB GLU 9 HB2 GLU 9 -26.028 14.804 14.804
65 2HB GLU 9 HB1 GLU 9 -25.988 13.035 13.035
66 1HG GLU 9 HG2 GLU 9 -27.101 12.740 12.740
67 2HG GLU 9 HG1 GLU 9 -26.336 14.120 14.120
68 HA PRO 10 HA PRO 10 -21.268 13.973 13.973
69 1HB PRO 10 HB2 PRO 10 -18.948 13.533 13.533
70 2HB PRO 10 HB1 PRO 10 -20.167 14.932 14.932
71 1HG PRO 10 HG2 PRO 10 -19.640 12.929 12.929
72 2HG PRO 10 HG1 PRO 10 -19.940 14.668 14.668
73 1HD PRO 10 HD2 PRO 10 -21.829 12.533 12.533
74 2HD PRO 10 HD1 PRO 10 -22.092 14.283 14.283
75 H TRP 11 HN TRP 11 -22.657 11.329 11.329
76 HA TRP 11 HA TRP 11 -20.464 9.413 9.413
77 1HB TRP 11 HB2 TRP 11 -23.221 8.867 8.867
78 2HB TRP 11 HB1 TRP 11 -21.884 7.722 7.722
79 HD1 TRP 11 HD1 TRP 11 -22.623 11.094 11.094
80 HE1 TRP 11 HE1 TRP 11 -21.469 11.078 11.078
81 HE3 TRP 11 HE3 TRP 11 -20.303 6.549 6.549
82 HZ2 TRP 11 HZ2 TRP 11 -19.784 9.352 9.352
83 HZ3 TRP 11 HZ3 TRP 11 -18.941 5.755 5.755
84 HH2 TRP 11 HH2 TRP 11 -18.682 7.144 7.144
85 H ASN 12 HN ASN 12 -22.425 11.231 11.231
86 HA ASN 12 HA ASN 12 -23.546 9.040 9.040
87 1HB ASN 12 HB2 ASN 12 -24.571 11.884 11.884
88 2HB ASN 12 HB1 ASN 12 -25.428 10.371 10.371
89 1HD2 ASN 12 HD22 ASN 12 -24.875 11.461 11.461
90 2HD2 ASN 12 HD21 ASN 12 -23.886 12.132 12.132
91 H HIS 13 HN HIS 13 -22.596 8.897 8.897
92 HA HIS 13 HA HIS 13 -21.476 11.359 11.359
93 1HB HIS 13 HB2 HIS 13 -20.143 8.654 8.654
94 2HB HIS 13 HB1 HIS 13 -19.449 9.953 9.953
95 HD1 HIS 13 HD1 HIS 13 -18.945 12.240 12.240
96 HD2 HIS 13 HD2 HIS 13 -19.614 8.827 8.827
97 HE1 HIS 13 HE1 HIS 13 -18.063 12.753 12.753
98 HA PRO 14 HA PRO 14 -23.208 9.632 9.632
99 1HB PRO 14 HB2 PRO 14 -21.301 10.398 10.398
100 2HB PRO 14 HB1 PRO 14 -22.463 11.529 11.529
101 1HG PRO 14 HG2 PRO 14 -19.632 10.951 10.951
102 2HG PRO 14 HG1 PRO 14 -20.468 12.508 12.508
103 1HD PRO 14 HD2 PRO 14 -19.712 10.753 10.753
104 2HD PRO 14 HD1 PRO 14 -20.830 12.150 12.150
105 H GLY 15 HN GLY 15 -19.962 8.745 8.745
106 1HA GLY 15 HA2 GLY 15 -18.778 6.841 6.841
107 2HA GLY 15 HA1 GLY 15 -20.203 5.994 5.994
108 H SER 16 HN SER 16 -18.857 9.023 9.023
109 HA SER 16 HA SER 16 -17.416 7.719 7.719
110 1HB SER 16 HB2 SER 16 -19.906 7.898 7.898
111 2HB SER 16 HB1 SER 16 -19.670 9.639 9.639
112 HG SER 16 HG SER 16 -18.965 9.448 9.448
113 H GLN 17 HN GLN 17 -17.351 10.074 10.074
114 HA GLN 17 HA GLN 17 -15.576 11.795 11.795
115 1HB GLN 17 HB2 GLN 17 -18.057 12.690 12.690
116 2HB GLN 17 HB1 GLN 17 -16.585 13.687 13.687
117 1HG GLN 17 HG2 GLN 17 -17.480 14.131 14.131
118 2HG GLN 17 HG1 GLN 17 -17.212 12.464 12.464
119 1HE2 GLN 17 HE22 GLN 17 -20.701 11.892 11.892
120 2HE2 GLN 17 HE21 GLN 17 -19.126 11.473 11.473
121 HA PRO 18 HA PRO 18 -14.646 12.789 12.789
122 1HB PRO 18 HB2 PRO 18 -15.952 11.248 11.248
123 2HB PRO 18 HB1 PRO 18 -16.537 12.838 12.838
124 1HG PRO 18 HG2 PRO 18 -17.292 10.096 10.096
125 2HG PRO 18 HG1 PRO 18 -18.345 11.460 11.460
126 1HD PRO 18 HD2 PRO 18 -17.943 10.953 10.953
127 2HD PRO 18 HD1 PRO 18 -17.853 12.650 12.650
128 H LYS 19 HN LYS 19 -15.290 9.551 9.551
129 HA LYS 19 HA LYS 19 -12.631 8.683 8.683
130 1HB LYS 19 HB2 LYS 19 -13.711 6.481 6.481
131 2HB LYS 19 HB1 LYS 19 -14.421 7.788 7.788
132 1HG LYS 19 HG2 LYS 19 -16.299 7.950 7.950
133 2HG LYS 19 HG1 LYS 19 -15.583 6.716 6.716
134 1HD LYS 19 HD2 LYS 19 -15.832 5.813 5.813
135 2HD LYS 19 HD1 LYS 19 -17.375 6.279 6.279
136 1HE LYS 19 HE2 LYS 19 -16.953 4.823 4.823
137 2HE LYS 19 HE1 LYS 19 -15.400 4.325 4.325
138 1HZ LYS 19 HZ2 LYS 19 -16.686 3.719 3.719
139 2HZ LYS 19 HZ1 LYS 19 -18.120 3.986 3.986
140 3HZ LYS 19 HZ3 LYS 19 -17.059 2.753 2.753
141 H THR 20 HN THR 20 -13.249 9.739 9.739
142 HA THR 20 HA THR 20 -12.567 7.427 7.427
143 HB THR 20 HB THR 20 -15.119 9.026 9.026
144 HG1 THR 20 HG1 THR 20 -15.769 7.213 7.213
145 1HG2 THR 20 HG23 THR 20 -13.916 7.418 7.418
146 2HG2 THR 20 HG22 THR 20 -15.634 7.806 7.806
147 3HG2 THR 20 HG21 THR 20 -14.442 9.101 9.101
148 H ALA 21 HN ALA 21 -13.690 10.830 10.830
149 HA ALA 21 HA ALA 21 -12.370 11.461 11.461
150 1HB ALA 21 HB2 ALA 21 -14.400 12.540 12.540
151 2HB ALA 21 HB1 ALA 21 -13.447 13.219 13.219
152 3HB ALA 21 HB3 ALA 21 -13.141 13.726 13.726
153 H SER 22 HN SER 22 -10.577 10.533 10.533
154 HA SER 22 HA SER 22 -8.483 11.131 11.131
155 1HB SER 22 HB2 SER 22 -8.662 11.774 11.774
156 2HB SER 22 HB1 SER 22 -7.609 12.973 12.973
157 HG SER 22 HG SER 22 -6.288 11.379 11.379
158 H ASN 23 HN ASN 23 -10.921 12.814 12.814
159 HA ASN 23 HA ASN 23 -10.138 15.585 15.585
160 1HB ASN 23 HB2 ASN 23 -12.388 15.840 15.840
161 2HB ASN 23 HB1 ASN 23 -12.447 14.287 14.287
162 1HD2 ASN 23 HD22 ASN 23 -12.603 12.243 12.243
163 2HD2 ASN 23 HD21 ASN 23 -11.697 12.311 12.311
164 H ARG 24 HN ARG 24 -9.749 12.855 12.855
165 HA ARG 24 HA ARG 24 -7.849 14.193 14.193
166 1HB ARG 24 HB2 ARG 24 -9.535 14.239 14.239
167 2HB ARG 24 HB1 ARG 24 -9.379 15.613 15.613
168 1HG ARG 24 HG2 ARG 24 -11.484 15.387 15.387
169 2HG ARG 24 HG1 ARG 24 -11.317 13.617 13.617
170 1HD ARG 24 HD2 ARG 24 -12.849 13.673 13.673
171 2HD ARG 24 HD1 ARG 24 -11.410 13.632 13.632
172 HE ARG 24 HE ARG 24 -11.795 15.997 15.997
173 1HH1 ARG 24 HH21 ARG 24 -12.415 17.600 17.600
174 2HH1 ARG 24 HH22 ARG 24 -14.140 17.705 17.705
175 1HH2 ARG 24 HH11 ARG 24 -14.706 14.871 14.871
176 2HH2 ARG 24 HH12 ARG 24 -15.440 16.154 16.154
177 H ALA 25 HN ALA 25 -10.330 12.356 12.356
178 HA ALA 25 HA ALA 25 -10.331 10.189 10.189
179 1HB ALA 25 HB3 ALA 25 -10.020 9.888 9.888
180 2HB ALA 25 HB2 ALA 25 -8.369 9.437 9.437
181 3HB ALA 25 HB1 ALA 25 -9.729 8.510 8.510
182 H HIS 26 HN HIS 26 -8.726 11.775 11.775
183 HA HIS 26 HA HIS 26 -6.721 9.939 9.939
184 1HB HIS 26 HB2 HIS 26 -4.838 11.742 11.742
185 2HB HIS 26 HB1 HIS 26 -5.275 10.619 10.619
186 HD1 HIS 26 HD1 HIS 26 -3.979 12.784 12.784
187 HD2 HIS 26 HD2 HIS 26 -7.954 13.273 13.273
188 HE1 HIS 26 HE1 HIS 26 -4.887 14.721 14.721
189 H ALA 27 HN ALA 27 -7.548 13.447 13.447
190 HA ALA 27 HA ALA 27 -6.942 13.596 13.596
191 1HB ALA 27 HB1 ALA 27 -7.952 15.546 15.546
192 2HB ALA 27 HB3 ALA 27 -7.647 15.997 15.997
193 3HB ALA 27 HB2 ALA 27 -6.318 15.445 15.445
194 H LYS 28 HN LYS 28 -9.646 12.867 12.867
195 HA LYS 28 HA LYS 28 -11.794 13.889 13.889
196 1HB LYS 28 HB2 LYS 28 -12.202 13.382 13.382
197 2HB LYS 28 HB1 LYS 28 -11.406 11.806 11.806
198 1HG LYS 28 HG2 LYS 28 -13.368 11.282 11.282
199 2HG LYS 28 HG1 LYS 28 -14.183 12.653 12.653
200 1HD LYS 28 HD2 LYS 28 -13.286 9.995 9.995
201 2HD LYS 28 HD1 LYS 28 -14.879 10.743 10.743
202 1HE LYS 28 HE2 LYS 28 -13.811 12.545 12.545
203 2HE LYS 28 HE1 LYS 28 -12.366 11.511 11.511
204 1HZ LYS 28 HZ2 LYS 28 -13.765 9.648 9.648
205 2HZ LYS 28 HZ1 LYS 28 -15.104 10.690 10.690
206 3HZ LYS 28 HZ3 LYS 28 -13.777 10.912 10.912
207 H LYS 29 HN LYS 29 -10.666 10.519 10.519
208 HA LYS 29 HA LYS 29 -11.866 9.745 9.745
209 1HB LYS 29 HB2 LYS 29 -12.015 7.655 7.655
210 2HB LYS 29 HB1 LYS 29 -11.905 8.576 8.576
211 1HG LYS 29 HG2 LYS 29 -9.450 7.407 7.407
212 2HG LYS 29 HG1 LYS 29 -10.370 6.579 6.579
213 1HD LYS 29 HD2 LYS 29 -9.976 9.070 9.070
214 2HD LYS 29 HD1 LYS 29 -8.495 8.805 8.805
215 1HE LYS 29 HE2 LYS 29 -8.081 7.837 7.837
216 2HE LYS 29 HE1 LYS 29 -8.540 6.425 6.425
217 1HZ LYS 29 HZ1 LYS 29 -10.846 6.784 6.784
218 2HZ LYS 29 HZ3 LYS 29 -10.337 8.070 8.070
219 3HZ LYS 29 HZ2 LYS 29 -9.821 6.487 6.487
220 H SER 30 HN SER 30 -8.768 10.473 10.473
221 HA SER 30 HA SER 30 -6.548 10.098 10.098
222 1HB SER 30 HB2 SER 30 -7.707 12.039 12.039
223 2HB SER 30 HB1 SER 30 -7.910 11.007 11.007
224 HG SER 30 HG SER 30 -5.972 11.761 11.761
225 H ALA 31 HN ALA 31 -6.773 9.582 9.582
226 HA ALA 31 HA ALA 31 -7.062 6.622 6.622
227 1HB ALA 31 HB1 ALA 31 -4.613 8.145 8.145
228 2HB ALA 31 HB3 ALA 31 -4.827 6.399 6.399
229 3HB ALA 31 HB2 ALA 31 -4.711 7.167 7.167
230 H TYR 32 HN TYR 32 -9.022 7.584 7.584
231 HA TYR 32 HA TYR 32 -8.486 7.317 7.317
232 1HB TYR 32 HB2 TYR 32 -9.774 9.491 9.491
233 2HB TYR 32 HB1 TYR 32 -8.164 9.759 9.759
234 HD1 TYR 32 HD1 TYR 32 -8.536 9.908 9.908
235 HD2 TYR 32 HD2 TYR 32 -11.608 10.384 10.384
236 HE1 TYR 32 HE1 TYR 32 -9.924 11.143 11.143
237 HE2 TYR 32 HE2 TYR 32 -13.004 11.599 11.599
238 HH TYR 32 HH TYR 32 -12.472 11.567 11.567
239 H HIS 33 HN HIS 33 -9.700 5.491 5.491
240 HA HIS 33 HA HIS 33 -11.624 4.157 4.157
241 1HB HIS 33 HB2 HIS 33 -12.620 6.287 6.287
242 2HB HIS 33 HB1 HIS 33 -13.536 4.887 4.887
243 HD1 HIS 33 HD1 HIS 33 -12.734 2.535 2.535
244 HD2 HIS 33 HD2 HIS 33 -10.507 5.638 5.638
245 HE1 HIS 33 HE1 HIS 33 -11.338 1.502 1.502
246 H SER 34 HN SER 34 -11.277 7.151 7.151
247 HA SER 34 HA SER 34 -12.347 8.331 8.331
248 1HB SER 34 HB2 SER 34 -13.511 5.586 5.586
249 2HB SER 34 HB1 SER 34 -13.544 6.829 6.829
250 HG SER 34 HG SER 34 -11.747 5.263 5.263
251 H GLN 35 HN GLN 35 -13.606 9.671 9.671
252 HA GLN 35 HA GLN 35 -16.490 8.893 8.893
253 1HB GLN 35 HB2 GLN 35 -14.821 10.984 10.984
254 2HB GLN 35 HB1 GLN 35 -16.493 10.529 10.529
255 1HG GLN 35 HG2 GLN 35 -14.006 8.817 8.817
256 2HG GLN 35 HG1 GLN 35 -15.098 9.401 9.401
257 1HE2 GLN 35 HE22 GLN 35 -15.928 5.868 5.868
258 2HE2 GLN 35 HE21 GLN 35 -14.396 6.618 6.618
259 H VAL 36 HN VAL 36 -14.287 11.537 11.537
260 HA VAL 36 HA VAL 36 -14.560 13.364 13.364
261 HB VAL 36 HB VAL 36 -17.067 11.955 11.955
262 1HG1 VAL 36 HG13 VAL 36 -15.024 13.723 13.723
263 2HG1 VAL 36 HG12 VAL 36 -16.233 12.800 12.800
264 3HG1 VAL 36 HG11 VAL 36 -16.740 14.039 14.039
265 1HG2 VAL 36 HG22 VAL 36 -15.138 10.290 10.290
266 2HG2 VAL 36 HG21 VAL 36 -15.876 10.548 10.548
267 3HG2 VAL 36 HG23 VAL 36 -14.333 11.310 11.310
268 H ALA 37 HN ALA 37 -15.222 14.296 14.296
269 HA ALA 37 HA ALA 37 -16.603 15.756 15.756
270 1HB ALA 37 HB3 ALA 37 -16.228 16.859 16.859
271 2HB ALA 37 HB2 ALA 37 -17.836 16.284 16.284
272 3HB ALA 37 HB1 ALA 37 -17.640 17.420 17.420
273 H PHE 38 HN PHE 38 -17.560 13.321 13.321
274 HA PHE 38 HA PHE 38 -20.371 13.101 13.101
275 1HB PHE 38 HB2 PHE 38 -20.234 10.892 10.892
276 2HB PHE 38 HB1 PHE 38 -18.691 11.196 11.196
277 HD1 PHE 38 HD1 PHE 38 -17.585 12.932 12.932
278 HD2 PHE 38 HD2 PHE 38 -19.590 9.141 9.141
279 HE1 PHE 38 HE1 PHE 38 -16.499 12.215 12.215
280 HE2 PHE 38 HE2 PHE 38 -18.498 8.432 8.432
281 HZ PHE 38 HZ PHE 38 -16.951 9.969 9.969
282 H ILE 39 HN ILE 39 -20.969 11.705 11.705
283 HA ILE 39 HA ILE 39 -22.515 13.773 13.773
284 HB ILE 39 HB ILE 39 -22.751 12.142 12.142
285 1HG1 ILE 39 HG12 ILE 39 -21.299 10.000 10.000
286 2HG1 ILE 39 HG11 ILE 39 -20.162 11.196 11.196
287 1HG2 ILE 39 HG21 ILE 39 -23.415 11.833 11.833
288 2HG2 ILE 39 HG23 ILE 39 -23.003 10.239 10.239
289 3HG2 ILE 39 HG22 ILE 39 -24.269 11.188 11.188
290 1HD1 ILE 39 HD13 ILE 39 -22.320 10.422 10.422
291 2HD1 ILE 39 HD12 ILE 39 -20.996 9.292 9.292
292 3HD1 ILE 39 HD11 ILE 39 -20.658 10.909 10.909
293 H THR 40 HN THR 40 -19.232 12.707 12.707
294 HA THR 40 HA THR 40 -19.267 14.926 14.926
295 HB THR 40 HB THR 40 -17.559 12.416 12.416
296 HG1 THR 40 HG1 THR 40 -19.708 13.087 13.087
297 1HG2 THR 40 HG23 THR 40 -17.035 14.773 14.773
298 2HG2 THR 40 HG22 THR 40 -17.708 13.666 13.666
299 3HG2 THR 40 HG21 THR 40 -16.285 13.197 13.197
300 H LYS 41 HN LYS 41 -17.591 16.461 16.461
301 HA LYS 41 HA LYS 41 -16.273 16.954 16.954
302 1HB LYS 41 HB2 LYS 41 -15.390 18.877 18.877
303 2HB LYS 41 HB1 LYS 41 -17.050 18.632 18.632
304 1HG LYS 41 HG2 LYS 41 -16.348 18.488 18.488
305 2HG LYS 41 HG1 LYS 41 -15.332 17.112 17.112
306 1HD LYS 41 HD2 LYS 41 -14.590 20.046 20.046
307 2HD LYS 41 HD1 LYS 41 -14.006 18.946 18.946
308 1HE LYS 41 HE2 LYS 41 -13.580 18.140 18.140
309 2HE LYS 41 HE1 LYS 41 -12.550 19.412 19.412
310 1HZ LYS 41 HZ2 LYS 41 -13.134 16.881 16.881
311 2HZ LYS 41 HZ1 LYS 41 -11.844 17.001 17.001
312 3HZ LYS 41 HZ3 LYS 41 -11.872 17.981 17.981
313 H GLY 42 HN GLY 42 -15.398 15.088 15.088
314 1HA GLY 42 HA2 GLY 42 -12.520 15.196 15.196
315 2HA GLY 42 HA1 GLY 42 -13.385 13.991 13.991
316 H LEU 43 HN LEU 43 -14.657 14.045 14.045
317 HA LEU 43 HA LEU 43 -14.344 12.689 12.689
318 1HB LEU 43 HB2 LEU 43 -11.666 13.444 13.444
319 2HB LEU 43 HB1 LEU 43 -11.644 11.999 11.999
320 HG LEU 43 HG LEU 43 -12.673 13.246 13.246
321 1HD1 LEU 43 HD13 LEU 43 -14.291 14.495 14.495
322 2HD1 LEU 43 HD12 LEU 43 -13.004 15.637 15.637
323 3HD1 LEU 43 HD11 LEU 43 -13.512 15.407 15.407
324 1HD2 LEU 43 HD23 LEU 43 -10.213 13.686 13.686
325 2HD2 LEU 43 HD22 LEU 43 -10.986 15.103 15.103
326 3HD2 LEU 43 HD21 LEU 43 -10.699 15.034 15.034
327 H GLY 44 HN GLY 44 -14.921 11.447 11.447
328 1HA GLY 44 HA2 GLY 44 -15.159 9.191 9.191
329 2HA GLY 44 HA1 GLY 44 -14.827 8.714 8.714
330 H ILE 45 HN ILE 45 -12.441 10.713 10.713
331 HA ILE 45 HA ILE 45 -10.361 8.800 8.800
332 HB ILE 45 HB ILE 45 -9.136 10.403 10.403
333 1HG1 ILE 45 HG12 ILE 45 -10.730 12.611 12.611
334 2HG1 ILE 45 HG11 ILE 45 -11.920 11.334 11.334
335 1HG2 ILE 45 HG21 ILE 45 -10.560 11.183 11.183
336 2HG2 ILE 45 HG23 ILE 45 -9.603 12.393 12.393
337 3HG2 ILE 45 HG22 ILE 45 -8.838 10.915 10.915
338 1HD1 ILE 45 HD12 ILE 45 -9.524 10.858 10.858
339 2HD1 ILE 45 HD11 ILE 45 -9.859 12.585 12.585
340 3HD1 ILE 45 HD13 ILE 45 -11.074 11.414 11.414
341 H SER 46 HN SER 46 -12.041 9.768 9.768
342 HA SER 46 HA SER 46 -12.086 7.098 7.098
343 1HB SER 46 HB2 SER 46 -10.245 7.297 7.297
344 2HB SER 46 HB1 SER 46 -9.596 7.455 7.455
345 HG SER 46 HG SER 46 -9.339 9.134 9.134
346 H TYR 47 HN TYR 47 -13.710 9.706 9.706
347 HA TYR 47 HA TYR 47 -13.761 10.590 10.590
348 1HB TYR 47 HB2 TYR 47 -15.682 11.935 11.935
349 2HB TYR 47 HB1 TYR 47 -14.350 12.009 12.009
350 HD1 TYR 47 HD1 TYR 47 -17.530 10.149 10.149
351 HD2 TYR 47 HD2 TYR 47 -14.640 11.444 11.444
352 HE1 TYR 47 HE1 TYR 47 -18.996 9.347 9.347
353 HE2 TYR 47 HE2 TYR 47 -16.096 10.645 10.645
354 HH TYR 47 HH TYR 47 -18.771 8.612 8.612
355 H GLY 48 HN GLY 48 -15.100 7.900 7.900
356 1HA GLY 48 HA2 GLY 48 -16.160 6.139 6.139
357 2HA GLY 48 HA1 GLY 48 -17.023 7.398 7.398
358 H ARG 49 HN ARG 49 -16.537 6.219 6.219
359 HA ARG 49 HA ARG 49 -18.850 7.437 7.437
360 1HB ARG 49 HB2 ARG 49 -17.306 4.943 4.943
361 2HB ARG 49 HB1 ARG 49 -18.412 5.861 5.861
362 1HG ARG 49 HG2 ARG 49 -16.952 7.743 7.743
363 2HG ARG 49 HG1 ARG 49 -15.930 7.047 7.047
364 1HD ARG 49 HD2 ARG 49 -14.740 6.593 6.593
365 2HD ARG 49 HD1 ARG 49 -15.624 5.084 5.084
366 HE ARG 49 HE ARG 49 -16.971 7.205 7.205
367 1HH1 ARG 49 HH21 ARG 49 -18.526 5.361 5.361
368 2HH1 ARG 49 HH22 ARG 49 -17.706 4.282 4.282
369 1HH2 ARG 49 HH11 ARG 49 -14.529 5.287 5.287
370 2HH2 ARG 49 HH12 ARG 49 -15.440 4.239 4.239
371 H LYS 50 HN LYS 50 -20.786 6.256 6.256
372 HA LYS 50 HA LYS 50 -21.639 4.098 4.098
373 1HB LYS 50 HB2 LYS 50 -23.914 5.120 5.120
374 2HB LYS 50 HB1 LYS 50 -22.728 6.201 6.201
375 1HG LYS 50 HG2 LYS 50 -22.906 6.323 6.323
376 2HG LYS 50 HG1 LYS 50 -24.348 6.861 6.861
377 1HD LYS 50 HD2 LYS 50 -21.513 7.885 7.885
378 2HD LYS 50 HD1 LYS 50 -22.714 8.687 8.687
379 1HE LYS 50 HE2 LYS 50 -24.230 8.512 8.512
380 2HE LYS 50 HE1 LYS 50 -22.666 8.229 8.229
381 1HZ LYS 50 HZ3 LYS 50 -23.204 10.483 10.483
382 2HZ LYS 50 HZ2 LYS 50 -23.231 10.620 10.620
383 3HZ LYS 50 HZ1 LYS 50 -21.786 10.219 10.219
384 H LYS 51 HN LYS 51 -21.080 4.881 4.881
385 HA LYS 51 HA LYS 51 -21.340 3.611 3.611
386 1HB LYS 51 HB2 LYS 51 -22.573 1.512 1.512
387 2HB LYS 51 HB1 LYS 51 -21.993 1.302 1.302
388 1HG LYS 51 HG2 LYS 51 -19.996 2.641 2.641
389 2HG LYS 51 HG1 LYS 51 -20.415 1.057 1.057
390 1HD LYS 51 HD2 LYS 51 -18.923 0.267 0.267
391 2HD LYS 51 HD1 LYS 51 -20.161 0.570 0.570
392 1HE LYS 51 HE2 LYS 51 -19.182 2.553 2.553
393 2HE LYS 51 HE1 LYS 51 -18.375 2.860 2.860
394 1HZ LYS 51 HZ3 LYS 51 -17.737 0.623 0.623
395 2HZ LYS 51 HZ2 LYS 51 -16.798 2.022 2.022
396 3HZ LYS 51 HZ1 LYS 51 -16.979 0.916 0.916
397 H ARG 52 HN ARG 52 -24.269 3.350 3.350
398 HA ARG 52 HA ARG 52 -26.053 3.199 3.199
399 1HB ARG 52 HB2 ARG 52 -26.762 3.849 3.849
400 2HB ARG 52 HB1 ARG 52 -27.769 3.057 3.057
401 1HG ARG 52 HG2 ARG 52 -25.399 2.011 2.011
402 2HG ARG 52 HG1 ARG 52 -27.015 1.295 1.295
403 1HD ARG 52 HD2 ARG 52 -24.802 1.284 1.284
404 2HD ARG 52 HD1 ARG 52 -25.574 -0.090 -0.090
405 HE ARG 52 HE ARG 52 -26.634 1.297 1.297
406 1HH1 ARG 52 HH21 ARG 52 -28.943 2.201 2.201
407 2HH1 ARG 52 HH22 ARG 52 -29.962 0.899 0.899
408 1HH2 ARG 52 HH11 ARG 52 -27.351 -1.368 -1.368
409 2HH2 ARG 52 HH12 ARG 52 -29.059 -1.124 -1.124
410 H ARG 53 HN ARG 53 -24.337 5.768 5.768
411 HA ARG 53 HA ARG 53 -26.145 7.920 7.920
412 1HB ARG 53 HB2 ARG 53 -24.182 9.283 9.283
413 2HB ARG 53 HB1 ARG 53 -23.683 7.918 7.918
414 1HG ARG 53 HG2 ARG 53 -23.503 7.438 7.438
415 2HG ARG 53 HG1 ARG 53 -22.435 8.670 8.670
416 1HD ARG 53 HD2 ARG 53 -21.874 6.845 6.845
417 2HD ARG 53 HD1 ARG 53 -22.589 5.767 5.767
418 HE ARG 53 HE ARG 53 -20.073 7.190 7.190
419 1HH1 ARG 53 HH21 ARG 53 -21.462 8.337 8.337
420 2HH1 ARG 53 HH22 ARG 53 -21.299 7.134 7.134
421 1HH2 ARG 53 HH11 ARG 53 -20.457 4.592 4.592
422 2HH2 ARG 53 HH12 ARG 53 -20.729 5.010 5.010
423 H GLN 54 HN GLN 54 -25.032 6.211 6.211
424 HA GLN 54 HA GLN 54 -25.589 8.164 8.164
425 1HB GLN 54 HB2 GLN 54 -25.790 5.122 5.122
426 2HB GLN 54 HB1 GLN 54 -25.680 6.211 6.211
427 1HG GLN 54 HG2 GLN 54 -23.523 7.052 7.052
428 2HG GLN 54 HG1 GLN 54 -23.542 5.988 5.988
429 1HE2 GLN 54 HE22 GLN 54 -23.165 2.992 2.992
430 2HE2 GLN 54 HE21 GLN 54 -24.085 3.536 3.536
431 H ARG 55 HN ARG 55 -27.702 5.817 5.817
432 HA ARG 55 HA ARG 55 -30.058 5.612 5.612
433 1HB ARG 55 HB2 ARG 55 -29.804 8.508 8.508
434 2HB ARG 55 HB1 ARG 55 -31.259 7.758 7.758
435 1HG ARG 55 HG2 ARG 55 -30.301 7.390 7.390
436 2HG ARG 55 HG1 ARG 55 -28.703 7.884 7.884
437 1HD ARG 55 HD2 ARG 55 -29.672 10.165 10.165
438 2HD ARG 55 HD1 ARG 55 -31.154 9.641 9.641
439 HE ARG 55 HE ARG 55 -28.938 9.024 9.024
440 1HH1 ARG 55 HH11 ARG 55 -31.361 10.632 10.632
441 2HH1 ARG 55 HH12 ARG 55 -30.654 12.169 12.169
442 1HH2 ARG 55 HH21 ARG 55 -27.669 11.489 11.489
443 2HH2 ARG 55 HH22 ARG 55 -28.557 12.656 12.656
444 H ARG 56 HN ARG 56 -28.400 5.208 5.208
445 HA ARG 56 HA ARG 56 -30.707 4.717 4.717
446 1HB ARG 56 HB2 ARG 56 -29.961 6.188 6.188
447 2HB ARG 56 HB1 ARG 56 -29.986 7.143 7.143
448 1HG ARG 56 HG2 ARG 56 -27.432 6.079 6.079
449 2HG ARG 56 HG1 ARG 56 -27.707 6.304 6.304
450 1HD ARG 56 HD2 ARG 56 -28.413 8.474 8.474
451 2HD ARG 56 HD1 ARG 56 -26.720 8.269 8.269
452 HE ARG 56 HE ARG 56 -28.139 8.165 8.165
453 1HH1 ARG 56 HH11 ARG 56 -29.822 9.930 9.930
454 2HH1 ARG 56 HH12 ARG 56 -29.556 11.485 11.485
455 1HH2 ARG 56 HH21 ARG 56 -27.074 10.362 10.362
456 2HH2 ARG 56 HH22 ARG 56 -28.003 11.726 11.726
457 H ARG 57 HN ARG 57 -28.865 2.974 2.974
458 HA ARG 57 HA ARG 57 -26.571 2.175 2.175
459 1HB ARG 57 HB2 ARG 57 -27.350 1.403 1.403
460 2HB ARG 57 HB1 ARG 57 -28.639 0.464 0.464
461 1HG ARG 57 HG2 ARG 57 -26.975 -1.141 -1.141
462 2HG ARG 57 HG1 ARG 57 -26.682 -0.612 -0.612
463 1HD ARG 57 HD2 ARG 57 -24.949 0.968 0.968
464 2HD ARG 57 HD1 ARG 57 -25.224 0.358 0.358
465 HE ARG 57 HE ARG 57 -24.444 -1.478 -1.478
466 1HH1 ARG 57 HH11 ARG 57 -25.146 -1.955 -1.955
467 2HH1 ARG 57 HH12 ARG 57 -23.569 -2.415 -2.415
468 1HH2 ARG 57 HH21 ARG 57 -21.960 -1.365 -1.365
469 2HH2 ARG 57 HH22 ARG 57 -21.762 -2.082 -2.082
470 HA PRO 58 HA PRO 58 -29.323 -0.658 -0.658
471 1HB PRO 58 HB2 PRO 58 -31.999 -0.082 -0.082
472 2HB PRO 58 HB1 PRO 58 -31.320 -1.214 -1.214
473 1HG PRO 58 HG2 PRO 58 -32.168 1.625 1.625
474 2HG PRO 58 HG1 PRO 58 -32.337 0.255 0.255
475 1HD PRO 58 HD2 PRO 58 -30.501 2.196 2.196
476 2HD PRO 58 HD1 PRO 58 -30.257 0.594 0.594
477 H SER 59 HN SER 59 -29.520 2.785 2.785
478 HA SER 59 HA SER 59 -30.602 3.234 3.234
479 1HB SER 59 HB2 SER 59 -29.083 5.021 5.021
480 2HB SER 59 HB1 SER 59 -29.896 5.541 5.541
481 HG SER 59 HG SER 59 -31.667 5.601 5.601
482 H GLN 60 HN GLN 60 -29.330 4.336 4.336
483 HA GLN 60 HA GLN 60 -26.597 4.693 4.693
484 1HB GLN 60 HB2 GLN 60 -26.202 2.410 2.410
485 2HB GLN 60 HB1 GLN 60 -27.334 1.743 1.743
486 1HG GLN 60 HG2 GLN 60 -25.604 2.943 2.943
487 2HG GLN 60 HG1 GLN 60 -24.659 3.218 3.218
488 1HE2 GLN 60 HE22 GLN 60 -24.920 -0.740 -0.740
489 2HE2 GLN 60 HE21 GLN 60 -25.994 0.346 0.346
490 H GLY 61 HN GLY 61 -27.705 2.396 2.396
491 1HA GLY 61 HA2 GLY 61 -28.777 2.632 2.632
492 2HA GLY 61 HA1 GLY 61 -29.067 4.367 4.367
493 H GLY 62 HN GLY 62 -26.139 2.365 2.365
494 1HA GLY 62 HA2 GLY 62 -24.092 2.695 2.695
495 2HA GLY 62 HA1 GLY 62 -24.958 3.535 3.535
496 H GLN 63 HN GLN 63 -25.293 4.510 4.510
497 HA GLN 63 HA GLN 63 -24.403 7.175 7.175
498 1HB GLN 63 HB2 GLN 63 -25.037 7.748 7.748
499 2HB GLN 63 HB1 GLN 63 -26.302 6.528 6.528
500 1HG GLN 63 HG2 GLN 63 -24.909 5.150 5.150
501 2HG GLN 63 HG1 GLN 63 -23.737 6.441 6.441
502 1HE2 GLN 63 HE22 GLN 63 -25.415 8.219 8.219
503 2HE2 GLN 63 HE21 GLN 63 -23.942 7.761 7.761
504 H THR 64 HN THR 64 -22.685 4.441 4.441
505 HA THR 64 HA THR 64 -20.412 4.117 4.117
506 HB THR 64 HB THR 64 -20.423 7.118 7.118
507 HG1 THR 64 HG1 THR 64 -19.927 5.067 5.067
508 1HG2 THR 64 HG22 THR 64 -18.291 5.114 5.114
509 2HG2 THR 64 HG21 THR 64 -17.965 6.390 6.390
510 3HG2 THR 64 HG23 THR 64 -18.358 6.804 6.804
511 H HIS 65 HN HIS 65 -21.772 3.718 3.718
512 HA HIS 65 HA HIS 65 -21.317 5.592 5.592
513 1HB HIS 65 HB2 HIS 65 -22.543 2.911 2.911
514 2HB HIS 65 HB1 HIS 65 -21.784 3.211 3.211
515 HD1 HIS 65 HD1 HIS 65 -24.960 3.315 3.315
516 HD2 HIS 65 HD2 HIS 65 -22.786 6.185 6.185
517 HE1 HIS 65 HE1 HIS 65 -26.646 4.946 4.946
518 H GLN 66 HN GLN 66 -20.230 4.289 4.289
519 HA GLN 66 HA GLN 66 -17.643 3.117 3.117
520 1HB GLN 66 HB2 GLN 66 -18.218 5.427 5.427
521 2HB GLN 66 HB1 GLN 66 -16.614 4.656 4.656
522 1HG GLN 66 HG2 GLN 66 -16.030 5.863 5.863
523 2HG GLN 66 HG1 GLN 66 -17.296 5.120 5.120
524 1HE2 GLN 66 HE22 GLN 66 -19.634 7.890 7.890
525 2HE2 GLN 66 HE21 GLN 66 -19.652 6.201 6.201
526 H ASP 67 HN ASP 67 -19.484 3.961 3.961
527 HA ASP 67 HA ASP 67 -18.323 1.766 1.766
528 1HB ASP 67 HB2 ASP 67 -18.892 3.892 3.892
529 2HB ASP 67 HB1 ASP 67 -20.569 3.709 3.709
530 HA PRO 68 HA PRO 68 -22.745 -0.023 -0.023
531 1HB PRO 68 HB2 PRO 68 -24.254 0.774 0.774
532 2HB PRO 68 HB1 PRO 68 -24.284 1.590 1.590
533 1HG PRO 68 HG2 PRO 68 -22.912 2.304 2.304
534 2HG PRO 68 HG1 PRO 68 -23.660 3.412 3.412
535 1HD PRO 68 HD2 PRO 68 -21.013 2.962 2.962
536 2HD PRO 68 HD1 PRO 68 -21.780 3.555 3.555
537 H ILE 69 HN ILE 69 -21.025 0.707 0.707
538 HA ILE 69 HA ILE 69 -21.232 -2.218 -2.218
539 HB ILE 69 HB ILE 69 -22.061 -1.798 -1.798
540 1HG1 ILE 69 HG12 ILE 69 -20.297 -0.479 -0.479
541 2HG1 ILE 69 HG11 ILE 69 -21.809 0.415 0.415
542 1HG2 ILE 69 HG23 ILE 69 -23.558 -0.703 -0.703
543 2HG2 ILE 69 HG22 ILE 69 -22.864 0.843 0.843
544 3HG2 ILE 69 HG21 ILE 69 -23.774 -0.135 -0.135
545 1HD1 ILE 69 HD11 ILE 69 -21.245 1.619 1.619
546 2HD1 ILE 69 HD13 ILE 69 -19.608 0.975 0.975
547 3HD1 ILE 69 HD12 ILE 69 -20.267 2.022 2.022
548 HA PRO 70 HA PRO 70 -16.817 -0.408 -0.408
549 1HB PRO 70 HB2 PRO 70 -15.829 -1.760 -1.760
550 2HB PRO 70 HB1 PRO 70 -16.389 -0.072 -0.072
551 1HG PRO 70 HG2 PRO 70 -17.707 -2.683 -2.683
552 2HG PRO 70 HG1 PRO 70 -17.781 -1.142 -1.142
553 1HD PRO 70 HD2 PRO 70 -19.834 -1.987 -1.987
554 2HD PRO 70 HD1 PRO 70 -19.356 -0.254 -0.254
555 H LYS 71 HN LYS 71 -18.437 -3.388 -3.388
556 HA LYS 71 HA LYS 71 -16.071 -5.091 -5.091
557 1HB LYS 71 HB2 LYS 71 -17.846 -6.816 -6.816
558 2HB LYS 71 HB1 LYS 71 -18.012 -5.989 -5.989
559 1HG LYS 71 HG2 LYS 71 -19.548 -4.437 -4.437
560 2HG LYS 71 HG1 LYS 71 -19.829 -6.119 -6.119
561 1HD LYS 71 HD2 LYS 71 -21.466 -5.607 -5.607
562 2HD LYS 71 HD1 LYS 71 -20.310 -6.649 -6.649
563 1HE LYS 71 HE2 LYS 71 -19.325 -4.719 -4.719
564 2HE LYS 71 HE1 LYS 71 -20.261 -3.601 -3.601
565 1HZ LYS 71 HZ3 LYS 71 -22.305 -4.707 -4.707
566 2HZ LYS 71 HZ2 LYS 71 -21.352 -5.643 -5.643
567 3HZ LYS 71 HZ1 LYS 71 -21.424 -3.957 -3.957
568 H GLN 72 HN GLN 72 -18.451 -3.495 -3.495
569 HA GLN 72 HA GLN 72 -16.705 -3.846 -3.846
570 1HB GLN 72 HB2 GLN 72 -18.961 -4.941 -4.941
571 2HB GLN 72 HB1 GLN 72 -17.622 -5.887 -5.887
572 1HG GLN 72 HG2 GLN 72 -19.467 -6.845 -6.845
573 2HG GLN 72 HG1 GLN 72 -18.950 -5.835 -5.835
574 1HE2 GLN 72 HE22 GLN 72 -21.917 -3.719 -3.719
575 2HE2 GLN 72 HE21 GLN 72 -20.343 -3.733 -3.733
576 HA PRO 73 HA PRO 73 -18.813 -0.267 -0.267
577 1HB PRO 73 HB2 PRO 73 -19.513 -0.849 -0.849
578 2HB PRO 73 HB1 PRO 73 -17.845 -0.464 -0.464
579 1HG PRO 73 HG2 PRO 73 -19.098 -3.193 -3.193
580 2HG PRO 73 HG1 PRO 73 -17.548 -2.591 -2.591
581 1HD PRO 73 HD2 PRO 73 -17.701 -4.117 -4.117
582 2HD PRO 73 HD1 PRO 73 -16.577 -2.742 -2.742
583 H SER 74 HN SER 74 -20.553 -3.091 -3.091
584 HA SER 74 HA SER 74 -22.790 -3.757 -3.757
585 1HB SER 74 HB2 SER 74 -23.370 -3.880 -3.880
586 2HB SER 74 HB1 SER 74 -21.868 -2.962 -2.962
587 HG SER 74 HG SER 74 -22.988 -1.193 -1.193
588 H SER 75 HN SER 75 -24.621 -3.109 -3.109
589 HA SER 75 HA SER 75 -26.387 -1.691 -1.691
590 1HB SER 75 HB2 SER 75 -25.509 -0.441 -0.441
591 2HB SER 75 HB1 SER 75 -25.079 0.770 0.770
592 HG SER 75 HG SER 75 -27.185 0.942 0.942
593 H GLN 76 HN GLN 76 -23.004 -0.814 -0.814
594 HA GLN 76 HA GLN 76 -23.823 0.562 0.562
595 1HB GLN 76 HB2 GLN 76 -21.388 1.376 1.376
596 2HB GLN 76 HB1 GLN 76 -22.558 1.916 1.916
597 1HG GLN 76 HG2 GLN 76 -21.279 -0.356 -0.356
598 2HG GLN 76 HG1 GLN 76 -20.004 0.539 0.539
599 1HE2 GLN 76 HE22 GLN 76 -22.301 2.011 2.011
600 2HE2 GLN 76 HE21 GLN 76 -22.953 0.839 0.839
601 HA PRO 77 HA PRO 77 -20.724 -2.728 -2.728
602 1HB PRO 77 HB2 PRO 77 -20.536 -5.058 -5.058
603 2HB PRO 77 HB1 PRO 77 -19.450 -3.671 -3.671
604 1HG PRO 77 HG2 PRO 77 -21.843 -4.543 -4.543
605 2HG PRO 77 HG1 PRO 77 -20.306 -3.906 -3.906
606 1HD PRO 77 HD2 PRO 77 -22.615 -2.559 -2.559
607 2HD PRO 77 HD1 PRO 77 -20.968 -1.811 -1.811
608 H ARG 78 HN ARG 78 -23.653 -3.622 -3.622
609 HA ARG 78 HA ARG 78 -24.552 -5.206 -5.206
610 1HB ARG 78 HB2 ARG 78 -25.669 -6.706 -6.706
611 2HB ARG 78 HB1 ARG 78 -23.904 -6.664 -6.664
612 1HG ARG 78 HG2 ARG 78 -24.258 -4.902 -4.902
613 2HG ARG 78 HG1 ARG 78 -25.976 -5.224 -5.224
614 1HD ARG 78 HD2 ARG 78 -23.988 -7.469 -7.469
615 2HD ARG 78 HD1 ARG 78 -24.625 -6.499 -6.499
616 HE ARG 78 HE ARG 78 -26.771 -7.332 -7.332
617 1HH1 ARG 78 HH11 ARG 78 -25.021 -9.811 -9.811
618 2HH1 ARG 78 HH12 ARG 78 -25.882 -10.448 -10.448
619 1HH2 ARG 78 HH21 ARG 78 -27.719 -7.546 -7.546
620 2HH2 ARG 78 HH22 ARG 78 -27.413 -9.162 -9.162
621 H GLY 79 HN GLY 79 -25.455 -2.990 -2.990
622 1HA GLY 79 HA2 GLY 79 -28.315 -2.937 -2.937
623 2HA GLY 79 HA1 GLY 79 -27.442 -1.930 -1.930
624 H ASP 80 HN ASP 80 -27.887 0.140 0.140
625 HA ASP 80 HA ASP 80 -28.041 1.033 1.033
626 1HB ASP 80 HB2 ASP 80 -27.911 2.373 2.373
627 2HB ASP 80 HB1 ASP 80 -28.021 3.295 3.295
628 HA PRO 81 HA PRO 81 -23.558 1.056 1.056
629 1HB PRO 81 HB2 PRO 81 -23.424 1.899 1.899
630 2HB PRO 81 HB1 PRO 81 -23.792 0.234 0.234
631 1HG PRO 81 HG2 PRO 81 -25.698 2.409 2.409
632 2HG PRO 81 HG1 PRO 81 -25.646 0.719 0.719
633 1HD PRO 81 HD2 PRO 81 -27.336 1.545 1.545
634 2HD PRO 81 HD1 PRO 81 -26.573 -0.062 -0.062
635 H THR 82 HN THR 82 -22.628 2.723 2.723
636 HA THR 82 HA THR 82 -23.439 5.481 5.481
637 HB THR 82 HB THR 82 -21.103 5.737 5.737
638 HG1 THR 82 HG1 THR 82 -19.961 4.033 4.033
639 1HG2 THR 82 HG22 THR 82 -23.357 4.013 4.013
640 2HG2 THR 82 HG21 THR 82 -21.922 4.253 4.253
641 3HG2 THR 82 HG23 THR 82 -22.894 5.640 5.640
642 H GLY 83 HN GLY 83 -21.024 3.587 3.587
643 1HA GLY 83 HA2 GLY 83 -20.936 5.045 5.045
644 2HA GLY 83 HA1 GLY 83 -19.796 5.897 5.897
645 HA PRO 84 HA PRO 84 -16.956 2.702 2.702
646 1HB PRO 84 HB2 PRO 84 -14.899 3.582 3.582
647 2HB PRO 84 HB1 PRO 84 -15.428 4.421 4.421
648 1HG PRO 84 HG2 PRO 84 -15.720 5.234 5.234
649 2HG PRO 84 HG1 PRO 84 -16.010 6.173 6.173
650 1HD PRO 84 HD2 PRO 84 -17.861 4.727 4.727
651 2HD PRO 84 HD1 PRO 84 -18.270 6.032 6.032
652 H LYS 85 HN LYS 85 -18.457 2.767 2.767
653 HA LYS 85 HA LYS 85 -16.716 0.706 0.706
654 1HB LYS 85 HB2 LYS 85 -19.321 1.935 1.935
655 2HB LYS 85 HB1 LYS 85 -18.127 1.067 1.067
656 1HG LYS 85 HG2 LYS 85 -17.844 3.794 3.794
657 2HG LYS 85 HG1 LYS 85 -17.733 3.366 3.366
658 1HD LYS 85 HD2 LYS 85 -15.770 2.467 2.467
659 2HD LYS 85 HD1 LYS 85 -15.524 3.797 3.797
660 1HE LYS 85 HE2 LYS 85 -15.679 2.256 2.256
661 2HE LYS 85 HE1 LYS 85 -15.935 0.894 0.894
662 1HZ LYS 85 HZ3 LYS 85 -13.601 2.741 2.741
663 2HZ LYS 85 HZ2 LYS 85 -13.584 1.160 1.160
664 3HZ LYS 85 HZ1 LYS 85 -13.846 1.420 1.420
665 H GLU 86 HN GLU 86 -18.438 0.184 0.184
666 HA GLU 86 HA GLU 86 -20.553 -1.636 -1.636
667 1HB GLU 86 HB2 GLU 86 -19.204 -0.871 -0.871
668 2HB GLU 86 HB1 GLU 86 -20.436 -2.158 -2.158
669 1HG GLU 86 HG2 GLU 86 -21.923 -0.457 -0.457
670 2HG GLU 86 HG1 GLU 86 -20.710 0.760 0.760
Start of MODEL 5
1 1H LEU 1 HT3 LEU 1 -21.015 22.101 22.101
2 2H LEU 1 HT2 LEU 1 -20.009 22.326 22.326
3 3H LEU 1 HT1 LEU 1 -21.696 22.426 22.426
4 HA LEU 1 HA LEU 1 -21.096 20.313 20.313
5 1HB LEU 1 HB2 LEU 1 -19.579 18.871 18.871
6 2HB LEU 1 HB1 LEU 1 -18.837 20.468 20.468
7 HG LEU 1 HG LEU 1 -20.382 20.481 20.481
8 1HD1 LEU 1 HD12 LEU 1 -18.953 17.936 17.936
9 2HD1 LEU 1 HD11 LEU 1 -18.690 18.677 18.677
10 3HD1 LEU 1 HD13 LEU 1 -20.324 18.273 18.273
11 1HD2 LEU 1 HD23 LEU 1 -17.412 20.493 20.493
12 2HD2 LEU 1 HD22 LEU 1 -18.466 21.894 21.894
13 3HD2 LEU 1 HD21 LEU 1 -18.122 20.851 20.851
14 H ASP 2 HN ASP 2 -21.890 18.119 18.119
15 HA ASP 2 HA ASP 2 -23.738 16.920 16.920
16 1HB ASP 2 HB2 ASP 2 -21.961 17.518 17.518
17 2HB ASP 2 HB1 ASP 2 -23.414 18.293 18.293
18 HA PRO 3 HA PRO 3 -26.604 20.566 20.566
19 1HB PRO 3 HB2 PRO 3 -27.343 20.675 20.675
20 2HB PRO 3 HB1 PRO 3 -25.948 21.544 21.544
21 1HG PRO 3 HG2 PRO 3 -26.003 19.158 19.158
22 2HG PRO 3 HG1 PRO 3 -24.719 20.332 20.332
23 1HD PRO 3 HD2 PRO 3 -25.136 17.742 17.742
24 2HD PRO 3 HD1 PRO 3 -23.691 18.756 18.756
25 H VAL 4 HN VAL 4 -27.638 18.569 18.569
26 HA VAL 4 HA VAL 4 -30.092 17.709 17.709
27 HB VAL 4 HB VAL 4 -28.622 17.157 17.157
28 1HG1 VAL 4 HG13 VAL 4 -29.878 15.055 15.055
29 2HG1 VAL 4 HG12 VAL 4 -31.356 16.008 16.008
30 3HG1 VAL 4 HG11 VAL 4 -30.338 15.754 15.754
31 1HG2 VAL 4 HG23 VAL 4 -31.087 18.647 18.647
32 2HG2 VAL 4 HG22 VAL 4 -29.721 19.216 19.216
33 3HG2 VAL 4 HG21 VAL 4 -30.907 18.124 18.124
34 H ASP 5 HN ASP 5 -27.261 16.046 16.046
35 HA ASP 5 HA ASP 5 -26.958 14.319 14.319
36 1HB ASP 5 HB2 ASP 5 -28.413 13.471 13.471
37 2HB ASP 5 HB1 ASP 5 -26.914 12.531 12.531
38 HA PRO 6 HA PRO 6 -23.134 14.343 14.343
39 1HB PRO 6 HB2 PRO 6 -23.270 13.947 13.947
40 2HB PRO 6 HB1 PRO 6 -23.446 12.604 12.604
41 1HG PRO 6 HG2 PRO 6 -25.530 13.742 13.742
42 2HG PRO 6 HG1 PRO 6 -25.530 12.273 12.273
43 1HD PRO 6 HD2 PRO 6 -26.549 14.939 14.939
44 2HD PRO 6 HD1 PRO 6 -26.995 13.317 13.317
45 H ASN 7 HN ASN 7 -22.080 15.713 15.713
46 HA ASN 7 HA ASN 7 -23.012 18.447 18.447
47 1HB ASN 7 HB2 ASN 7 -20.977 17.120 17.120
48 2HB ASN 7 HB1 ASN 7 -21.246 18.873 18.873
49 1HD2 ASN 7 HD22 ASN 7 -19.008 17.217 17.217
50 2HD2 ASN 7 HD21 ASN 7 -19.557 16.328 16.328
51 H ILE 8 HN ILE 8 -22.937 16.321 16.321
52 HA ILE 8 HA ILE 8 -25.418 17.680 17.680
53 HB ILE 8 HB ILE 8 -24.491 18.096 18.096
54 1HG1 ILE 8 HG12 ILE 8 -23.357 15.890 15.890
55 2HG1 ILE 8 HG11 ILE 8 -22.352 17.243 17.243
56 1HG2 ILE 8 HG21 ILE 8 -23.665 19.665 19.665
57 2HG2 ILE 8 HG23 ILE 8 -22.272 18.626 18.626
58 3HG2 ILE 8 HG22 ILE 8 -22.463 19.421 19.421
59 1HD1 ILE 8 HD12 ILE 8 -21.388 17.097 17.097
60 2HD1 ILE 8 HD11 ILE 8 -22.136 15.501 15.501
61 3HD1 ILE 8 HD13 ILE 8 -20.908 15.864 15.864
62 H GLU 9 HN GLU 9 -24.602 14.930 14.930
63 HA GLU 9 HA GLU 9 -25.045 12.639 12.639
64 1HB GLU 9 HB2 GLU 9 -27.276 13.833 13.833
65 2HB GLU 9 HB1 GLU 9 -27.223 13.864 13.864
66 1HG GLU 9 HG2 GLU 9 -27.639 11.597 11.597
67 2HG GLU 9 HG1 GLU 9 -26.743 11.200 11.200
68 HA PRO 10 HA PRO 10 -23.231 12.726 12.726
69 1HB PRO 10 HB2 PRO 10 -20.629 12.365 12.365
70 2HB PRO 10 HB1 PRO 10 -21.555 13.913 13.913
71 1HG PRO 10 HG2 PRO 10 -20.750 12.179 12.179
72 2HG PRO 10 HG1 PRO 10 -20.602 13.995 13.995
73 1HD PRO 10 HD2 PRO 10 -22.502 12.172 12.172
74 2HD PRO 10 HD1 PRO 10 -22.753 13.929 13.929
75 H TRP 11 HN TRP 11 -24.460 10.493 10.493
76 HA TRP 11 HA TRP 11 -22.449 8.288 8.288
77 1HB TRP 11 HB2 TRP 11 -25.312 8.376 8.376
78 2HB TRP 11 HB1 TRP 11 -24.203 7.010 7.010
79 HD1 TRP 11 HD1 TRP 11 -24.711 10.551 10.551
80 HE1 TRP 11 HE1 TRP 11 -23.359 10.806 10.806
81 HE3 TRP 11 HE3 TRP 11 -22.229 6.088 6.088
82 HZ2 TRP 11 HZ2 TRP 11 -21.473 9.307 9.307
83 HZ3 TRP 11 HZ3 TRP 11 -20.667 5.539 5.539
84 HH2 TRP 11 HH2 TRP 11 -20.288 7.137 7.137
85 H ASN 12 HN ASN 12 -23.429 9.805 9.805
86 HA ASN 12 HA ASN 12 -24.597 7.609 7.609
87 1HB ASN 12 HB2 ASN 12 -26.158 9.480 9.480
88 2HB ASN 12 HB1 ASN 12 -26.551 8.679 8.679
89 1HD2 ASN 12 HD22 ASN 12 -25.692 11.559 11.559
90 2HD2 ASN 12 HD21 ASN 12 -25.681 9.874 9.874
91 H HIS 13 HN HIS 13 -22.288 7.766 7.766
92 HA HIS 13 HA HIS 13 -21.674 10.168 10.168
93 1HB HIS 13 HB2 HIS 13 -20.215 8.067 8.067
94 2HB HIS 13 HB1 HIS 13 -19.325 8.985 8.985
95 HD1 HIS 13 HD1 HIS 13 -17.863 10.031 10.031
96 HD2 HIS 13 HD2 HIS 13 -21.875 11.149 11.149
97 HE1 HIS 13 HE1 HIS 13 -18.043 12.064 12.064
98 HA PRO 14 HA PRO 14 -21.931 7.523 7.523
99 1HB PRO 14 HB2 PRO 14 -20.683 9.314 9.314
100 2HB PRO 14 HB1 PRO 14 -22.389 9.462 9.462
101 1HG PRO 14 HG2 PRO 14 -19.919 10.807 10.807
102 2HG PRO 14 HG1 PRO 14 -21.538 11.486 11.486
103 1HD PRO 14 HD2 PRO 14 -20.452 10.776 10.776
104 2HD PRO 14 HD1 PRO 14 -22.221 10.861 10.861
105 H GLY 15 HN GLY 15 -19.059 8.863 8.863
106 1HA GLY 15 HA2 GLY 15 -16.923 8.074 8.074
107 2HA GLY 15 HA1 GLY 15 -17.389 6.611 6.611
108 H SER 16 HN SER 16 -18.049 9.893 9.893
109 HA SER 16 HA SER 16 -15.699 9.996 9.996
110 1HB SER 16 HB2 SER 16 -17.532 8.643 8.643
111 2HB SER 16 HB1 SER 16 -18.571 10.061 10.061
112 HG SER 16 HG SER 16 -17.754 10.302 10.302
113 H GLN 17 HN GLN 17 -17.345 11.619 11.619
114 HA GLN 17 HA GLN 17 -16.792 14.245 14.245
115 1HB GLN 17 HB2 GLN 17 -19.438 13.035 13.035
116 2HB GLN 17 HB1 GLN 17 -19.290 14.652 14.652
117 1HG GLN 17 HG2 GLN 17 -19.185 15.659 15.659
118 2HG GLN 17 HG1 GLN 17 -18.120 14.443 14.443
119 1HE2 GLN 17 HE22 GLN 17 -20.993 12.282 12.282
120 2HE2 GLN 17 HE21 GLN 17 -19.489 12.122 12.122
121 HA PRO 18 HA PRO 18 -17.468 15.018 15.018
122 1HB PRO 18 HB2 PRO 18 -18.678 13.093 13.093
123 2HB PRO 18 HB1 PRO 18 -19.588 14.364 14.364
124 1HG PRO 18 HG2 PRO 18 -19.065 11.516 11.516
125 2HG PRO 18 HG1 PRO 18 -20.563 12.457 12.457
126 1HD PRO 18 HD2 PRO 18 -18.811 11.855 11.855
127 2HD PRO 18 HD1 PRO 18 -19.873 13.304 13.304
128 H LYS 19 HN LYS 19 -17.095 11.461 11.461
129 HA LYS 19 HA LYS 19 -15.215 10.993 10.993
130 1HB LYS 19 HB2 LYS 19 -15.804 9.811 9.811
131 2HB LYS 19 HB1 LYS 19 -14.522 9.100 9.100
132 1HG LYS 19 HG2 LYS 19 -16.314 9.026 9.026
133 2HG LYS 19 HG1 LYS 19 -17.443 9.354 9.354
134 1HD LYS 19 HD2 LYS 19 -17.540 7.148 7.148
135 2HD LYS 19 HD1 LYS 19 -15.931 7.276 7.276
136 1HE LYS 19 HE2 LYS 19 -14.935 6.869 6.869
137 2HE LYS 19 HE1 LYS 19 -16.571 6.671 6.671
138 1HZ LYS 19 HZ3 LYS 19 -16.870 5.032 5.032
139 2HZ LYS 19 HZ2 LYS 19 -15.173 5.023 5.023
140 3HZ LYS 19 HZ1 LYS 19 -15.955 4.517 4.517
141 H THR 20 HN THR 20 -14.701 11.881 11.881
142 HA THR 20 HA THR 20 -12.333 13.417 13.417
143 HB THR 20 HB THR 20 -11.148 11.434 11.434
144 HG1 THR 20 HG1 THR 20 -10.173 10.982 10.982
145 1HG2 THR 20 HG21 THR 20 -12.843 10.227 10.227
146 2HG2 THR 20 HG23 THR 20 -11.470 9.399 9.399
147 3HG2 THR 20 HG22 THR 20 -12.874 9.816 9.816
148 H ALA 21 HN ALA 21 -14.206 11.634 11.634
149 HA ALA 21 HA ALA 21 -14.646 12.205 12.205
150 1HB ALA 21 HB2 ALA 21 -14.974 14.429 14.429
151 2HB ALA 21 HB1 ALA 21 -13.847 15.022 15.022
152 3HB ALA 21 HB3 ALA 21 -15.405 14.361 14.361
153 H SER 22 HN SER 22 -11.857 11.514 11.514
154 HA SER 22 HA SER 22 -9.787 11.189 11.189
155 1HB SER 22 HB2 SER 22 -10.763 13.169 13.169
156 2HB SER 22 HB1 SER 22 -9.555 11.906 11.906
157 HG SER 22 HG SER 22 -11.848 11.465 11.465
158 H ASN 23 HN ASN 23 -11.005 14.184 14.184
159 HA ASN 23 HA ASN 23 -8.637 15.805 15.805
160 1HB ASN 23 HB2 ASN 23 -10.164 17.435 17.435
161 2HB ASN 23 HB1 ASN 23 -11.310 16.098 16.098
162 1HD2 ASN 23 HD22 ASN 23 -11.280 16.145 16.145
163 2HD2 ASN 23 HD21 ASN 23 -11.596 15.189 15.189
164 H ARG 24 HN ARG 24 -9.592 13.634 13.634
165 HA ARG 24 HA ARG 24 -7.094 14.397 14.397
166 1HB ARG 24 HB2 ARG 24 -9.941 14.390 14.390
167 2HB ARG 24 HB1 ARG 24 -8.801 13.741 13.741
168 1HG ARG 24 HG2 ARG 24 -7.583 15.727 15.727
169 2HG ARG 24 HG1 ARG 24 -8.277 16.371 16.371
170 1HD ARG 24 HD2 ARG 24 -9.628 17.503 17.503
171 2HD ARG 24 HD1 ARG 24 -10.518 15.965 15.965
172 HE ARG 24 HE ARG 24 -9.774 15.195 15.195
173 1HH1 ARG 24 HH21 ARG 24 -6.968 15.668 15.668
174 2HH1 ARG 24 HH22 ARG 24 -6.785 17.024 17.024
175 1HH2 ARG 24 HH11 ARG 24 -10.102 18.024 18.024
176 2HH2 ARG 24 HH12 ARG 24 -8.564 18.361 18.361
177 H ALA 25 HN ALA 25 -9.433 12.081 12.081
178 HA ALA 25 HA ALA 25 -9.420 9.724 9.724
179 1HB ALA 25 HB3 ALA 25 -8.539 10.267 10.267
180 2HB ALA 25 HB2 ALA 25 -7.073 9.543 9.543
181 3HB ALA 25 HB1 ALA 25 -8.578 8.624 8.624
182 H HIS 26 HN HIS 26 -8.170 11.024 11.024
183 HA HIS 26 HA HIS 26 -6.211 9.059 9.059
184 1HB HIS 26 HB2 HIS 26 -4.522 11.126 11.126
185 2HB HIS 26 HB1 HIS 26 -4.500 10.128 10.128
186 HD1 HIS 26 HD1 HIS 26 -3.418 12.182 12.182
187 HD2 HIS 26 HD2 HIS 26 -7.341 12.770 12.770
188 HE1 HIS 26 HE1 HIS 26 -4.271 14.243 14.243
189 H ALA 27 HN ALA 27 -7.205 12.447 12.447
190 HA ALA 27 HA ALA 27 -6.989 12.013 12.013
191 1HB ALA 27 HB3 ALA 27 -8.325 14.166 14.166
192 2HB ALA 27 HB2 ALA 27 -8.001 14.287 14.287
193 3HB ALA 27 HB1 ALA 27 -6.662 14.196 14.196
194 H LYS 28 HN LYS 28 -9.475 11.476 11.476
195 HA LYS 28 HA LYS 28 -11.820 11.654 11.654
196 1HB LYS 28 HB2 LYS 28 -12.057 11.694 11.694
197 2HB LYS 28 HB1 LYS 28 -10.935 10.296 10.296
198 1HG LYS 28 HG2 LYS 28 -13.017 9.116 9.116
199 2HG LYS 28 HG1 LYS 28 -13.905 10.424 10.424
200 1HD LYS 28 HD2 LYS 28 -14.021 8.505 8.505
201 2HD LYS 28 HD1 LYS 28 -12.947 9.664 9.664
202 1HE LYS 28 HE2 LYS 28 -11.086 8.336 8.336
203 2HE LYS 28 HE1 LYS 28 -12.292 7.024 7.024
204 1HZ LYS 28 HZ3 LYS 28 -12.448 7.640 7.640
205 2HZ LYS 28 HZ2 LYS 28 -11.117 8.674 8.674
206 3HZ LYS 28 HZ1 LYS 28 -10.943 6.999 6.999
207 H LYS 29 HN LYS 29 -9.557 9.001 9.001
208 HA LYS 29 HA LYS 29 -10.798 7.432 7.432
209 1HB LYS 29 HB2 LYS 29 -10.997 5.557 5.557
210 2HB LYS 29 HB1 LYS 29 -11.267 6.832 6.832
211 1HG LYS 29 HG2 LYS 29 -8.623 5.407 5.407
212 2HG LYS 29 HG1 LYS 29 -9.699 5.177 5.177
213 1HD LYS 29 HD2 LYS 29 -9.430 7.692 7.692
214 2HD LYS 29 HD1 LYS 29 -8.118 7.642 7.642
215 1HE LYS 29 HE2 LYS 29 -8.145 5.610 5.610
216 2HE LYS 29 HE1 LYS 29 -7.614 7.260 7.260
217 1HZ LYS 29 HZ3 LYS 29 -6.126 7.134 7.134
218 2HZ LYS 29 HZ2 LYS 29 -6.583 5.516 5.516
219 3HZ LYS 29 HZ1 LYS 29 -5.746 5.959 5.959
220 H SER 30 HN SER 30 -8.334 9.192 9.192
221 HA SER 30 HA SER 30 -5.875 8.032 8.032
222 1HB SER 30 HB2 SER 30 -5.174 9.721 9.721
223 2HB SER 30 HB1 SER 30 -6.441 10.303 10.303
224 HG SER 30 HG SER 30 -7.778 10.529 10.529
225 H ALA 31 HN ALA 31 -7.179 8.229 8.229
226 HA ALA 31 HA ALA 31 -6.871 5.382 5.382
227 1HB ALA 31 HB2 ALA 31 -4.712 7.348 7.348
228 2HB ALA 31 HB1 ALA 31 -4.863 5.738 5.738
229 3HB ALA 31 HB3 ALA 31 -4.526 5.922 5.922
230 H TYR 32 HN TYR 32 -9.100 6.541 6.541
231 HA TYR 32 HA TYR 32 -9.009 6.789 6.789
232 1HB TYR 32 HB2 TYR 32 -10.012 9.106 9.106
233 2HB TYR 32 HB1 TYR 32 -8.510 9.062 9.062
234 HD1 TYR 32 HD1 TYR 32 -9.241 8.222 8.222
235 HD2 TYR 32 HD2 TYR 32 -11.590 10.403 10.403
236 HE1 TYR 32 HE1 TYR 32 -10.586 9.192 9.192
237 HE2 TYR 32 HE2 TYR 32 -12.940 11.363 11.363
238 HH TYR 32 HH TYR 32 -12.194 11.708 11.708
239 H HIS 33 HN HIS 33 -10.053 4.791 4.791
240 HA HIS 33 HA HIS 33 -11.971 3.490 3.490
241 1HB HIS 33 HB2 HIS 33 -12.861 5.389 5.389
242 2HB HIS 33 HB1 HIS 33 -13.816 3.988 3.988
243 HD1 HIS 33 HD1 HIS 33 -13.329 1.841 1.841
244 HD2 HIS 33 HD2 HIS 33 -10.122 4.491 4.491
245 HE1 HIS 33 HE1 HIS 33 -11.596 0.714 0.714
246 H SER 34 HN SER 34 -11.657 6.379 6.379
247 HA SER 34 HA SER 34 -12.872 7.752 7.752
248 1HB SER 34 HB2 SER 34 -13.710 4.930 4.930
249 2HB SER 34 HB1 SER 34 -14.549 6.163 6.163
250 HG SER 34 HG SER 34 -11.987 5.209 5.209
251 H GLN 35 HN GLN 35 -14.003 9.043 9.043
252 HA GLN 35 HA GLN 35 -16.754 8.179 8.179
253 1HB GLN 35 HB2 GLN 35 -14.995 10.515 10.515
254 2HB GLN 35 HB1 GLN 35 -16.594 10.168 10.168
255 1HG GLN 35 HG2 GLN 35 -14.063 8.527 8.527
256 2HG GLN 35 HG1 GLN 35 -15.038 9.213 9.213
257 1HE2 GLN 35 HE22 GLN 35 -15.824 5.501 5.501
258 2HE2 GLN 35 HE21 GLN 35 -14.352 6.309 6.309
259 H VAL 36 HN VAL 36 -15.079 10.600 10.600
260 HA VAL 36 HA VAL 36 -15.880 12.097 12.097
261 HB VAL 36 HB VAL 36 -18.550 10.717 10.717
262 1HG1 VAL 36 HG12 VAL 36 -18.089 12.620 12.620
263 2HG1 VAL 36 HG11 VAL 36 -16.954 11.569 11.569
264 3HG1 VAL 36 HG13 VAL 36 -18.663 11.141 11.141
265 1HG2 VAL 36 HG21 VAL 36 -16.055 9.375 9.375
266 2HG2 VAL 36 HG23 VAL 36 -17.502 8.701 8.701
267 3HG2 VAL 36 HG22 VAL 36 -17.525 9.165 9.165
268 H ALA 37 HN ALA 37 -15.813 13.369 13.369
269 HA ALA 37 HA ALA 37 -16.832 14.966 14.966
270 1HB ALA 37 HB3 ALA 37 -16.626 15.949 15.949
271 2HB ALA 37 HB2 ALA 37 -18.310 15.505 15.505
272 3HB ALA 37 HB1 ALA 37 -17.901 16.679 16.679
273 H PHE 38 HN PHE 38 -18.025 12.905 12.905
274 HA PHE 38 HA PHE 38 -20.923 12.901 12.901
275 1HB PHE 38 HB2 PHE 38 -20.895 10.818 10.818
276 2HB PHE 38 HB1 PHE 38 -19.547 10.877 10.877
277 HD1 PHE 38 HD1 PHE 38 -18.205 13.014 13.014
278 HD2 PHE 38 HD2 PHE 38 -19.631 8.960 8.960
279 HE1 PHE 38 HE1 PHE 38 -16.670 12.480 12.480
280 HE2 PHE 38 HE2 PHE 38 -18.096 8.436 8.436
281 HZ PHE 38 HZ PHE 38 -16.619 10.195 10.195
282 H ILE 39 HN ILE 39 -21.158 12.003 12.003
283 HA ILE 39 HA ILE 39 -22.422 14.381 14.381
284 HB ILE 39 HB ILE 39 -22.320 13.168 13.168
285 1HG1 ILE 39 HG12 ILE 39 -21.304 10.773 10.773
286 2HG1 ILE 39 HG11 ILE 39 -20.097 11.889 11.889
287 1HG2 ILE 39 HG21 ILE 39 -23.569 12.373 12.373
288 2HG2 ILE 39 HG23 ILE 39 -23.424 11.030 11.030
289 3HG2 ILE 39 HG22 ILE 39 -24.273 12.498 12.498
290 1HD1 ILE 39 HD13 ILE 39 -22.310 10.829 10.829
291 2HD1 ILE 39 HD12 ILE 39 -20.741 10.038 10.038
292 3HD1 ILE 39 HD11 ILE 39 -20.843 11.669 11.669
293 H THR 40 HN THR 40 -19.102 13.234 13.234
294 HA THR 40 HA THR 40 -18.653 15.771 15.771
295 HB THR 40 HB THR 40 -17.135 13.132 13.132
296 HG1 THR 40 HG1 THR 40 -18.130 13.368 13.368
297 1HG2 THR 40 HG21 THR 40 -16.215 15.624 15.624
298 2HG2 THR 40 HG23 THR 40 -16.761 14.856 14.856
299 3HG2 THR 40 HG22 THR 40 -15.552 14.060 14.060
300 H LYS 41 HN LYS 41 -17.007 17.179 17.179
301 HA LYS 41 HA LYS 41 -16.149 17.119 17.119
302 1HB LYS 41 HB2 LYS 41 -15.044 19.182 19.182
303 2HB LYS 41 HB1 LYS 41 -16.597 19.125 19.125
304 1HG LYS 41 HG2 LYS 41 -15.587 19.358 19.358
305 2HG LYS 41 HG1 LYS 41 -14.658 17.897 17.897
306 1HD LYS 41 HD2 LYS 41 -13.930 20.680 20.680
307 2HD LYS 41 HD1 LYS 41 -13.178 19.818 19.818
308 1HE LYS 41 HE2 LYS 41 -13.202 18.443 18.443
309 2HE LYS 41 HE1 LYS 41 -12.065 19.783 19.783
310 1HZ LYS 41 HZ2 LYS 41 -12.462 17.587 17.587
311 2HZ LYS 41 HZ1 LYS 41 -11.326 17.481 17.481
312 3HZ LYS 41 HZ3 LYS 41 -11.175 18.693 18.693
313 H GLY 42 HN GLY 42 -14.768 15.812 15.812
314 1HA GLY 42 HA2 GLY 42 -11.993 15.728 15.728
315 2HA GLY 42 HA1 GLY 42 -12.715 14.755 14.755
316 H LEU 43 HN LEU 43 -14.550 14.245 14.245
317 HA LEU 43 HA LEU 43 -14.647 12.538 12.538
318 1HB LEU 43 HB2 LEU 43 -11.593 12.574 12.574
319 2HB LEU 43 HB1 LEU 43 -12.638 12.019 12.019
320 HG LEU 43 HG LEU 43 -12.545 14.886 14.886
321 1HD1 LEU 43 HD13 LEU 43 -10.837 13.192 13.192
322 2HD1 LEU 43 HD12 LEU 43 -11.519 14.467 14.467
323 3HD1 LEU 43 HD11 LEU 43 -10.619 14.886 14.886
324 1HD2 LEU 43 HD23 LEU 43 -14.722 13.966 13.966
325 2HD2 LEU 43 HD22 LEU 43 -14.008 15.303 15.303
326 3HD2 LEU 43 HD21 LEU 43 -13.827 13.648 13.648
327 H GLY 44 HN GLY 44 -14.833 11.764 11.764
328 1HA GLY 44 HA2 GLY 44 -14.787 9.733 9.733
329 2HA GLY 44 HA1 GLY 44 -14.632 8.960 8.960
330 H ILE 45 HN ILE 45 -12.151 11.220 11.220
331 HA ILE 45 HA ILE 45 -10.053 9.352 9.352
332 HB ILE 45 HB ILE 45 -8.758 11.178 11.178
333 1HG1 ILE 45 HG12 ILE 45 -10.439 13.331 13.331
334 2HG1 ILE 45 HG11 ILE 45 -11.542 12.105 12.105
335 1HG2 ILE 45 HG22 ILE 45 -10.315 11.536 11.536
336 2HG2 ILE 45 HG21 ILE 45 -9.298 12.848 12.848
337 3HG2 ILE 45 HG23 ILE 45 -8.585 11.280 11.280
338 1HD1 ILE 45 HD13 ILE 45 -9.097 11.915 11.915
339 2HD1 ILE 45 HD12 ILE 45 -9.374 13.642 13.642
340 3HD1 ILE 45 HD11 ILE 45 -10.593 12.649 12.649
341 H SER 46 HN SER 46 -11.420 10.644 10.644
342 HA SER 46 HA SER 46 -11.050 8.081 8.081
343 1HB SER 46 HB2 SER 46 -9.169 8.734 8.734
344 2HB SER 46 HB1 SER 46 -8.694 8.876 8.876
345 HG SER 46 HG SER 46 -8.596 10.733 10.733
346 H TYR 47 HN TYR 47 -12.898 10.730 10.730
347 HA TYR 47 HA TYR 47 -13.006 11.516 11.516
348 1HB TYR 47 HB2 TYR 47 -14.820 12.949 12.949
349 2HB TYR 47 HB1 TYR 47 -13.655 12.880 12.880
350 HD1 TYR 47 HD1 TYR 47 -16.874 11.477 11.477
351 HD2 TYR 47 HD2 TYR 47 -14.109 12.008 12.008
352 HE1 TYR 47 HE1 TYR 47 -18.575 10.623 10.623
353 HE2 TYR 47 HE2 TYR 47 -15.796 11.167 11.167
354 HH TYR 47 HH TYR 47 -18.660 11.118 11.118
355 H GLY 48 HN GLY 48 -14.512 9.036 9.036
356 1HA GLY 48 HA2 GLY 48 -15.370 7.081 7.081
357 2HA GLY 48 HA1 GLY 48 -16.242 8.247 8.247
358 H ARG 49 HN ARG 49 -15.984 7.072 7.072
359 HA ARG 49 HA ARG 49 -18.497 8.288 8.288
360 1HB ARG 49 HB2 ARG 49 -17.988 7.369 7.369
361 2HB ARG 49 HB1 ARG 49 -16.408 7.687 7.687
362 1HG ARG 49 HG2 ARG 49 -16.182 5.328 5.328
363 2HG ARG 49 HG1 ARG 49 -17.819 4.985 4.985
364 1HD ARG 49 HD2 ARG 49 -16.235 4.300 4.300
365 2HD ARG 49 HD1 ARG 49 -17.271 5.710 5.710
366 HE ARG 49 HE ARG 49 -15.428 7.232 7.232
367 1HH1 ARG 49 HH11 ARG 49 -14.155 4.443 4.443
368 2HH1 ARG 49 HH12 ARG 49 -12.700 4.458 4.458
369 1HH2 ARG 49 HH21 ARG 49 -13.752 7.023 7.023
370 2HH2 ARG 49 HH22 ARG 49 -12.468 5.927 5.927
371 H LYS 50 HN LYS 50 -20.370 7.005 7.005
372 HA LYS 50 HA LYS 50 -20.721 4.511 4.511
373 1HB LYS 50 HB2 LYS 50 -23.120 5.215 5.215
374 2HB LYS 50 HB1 LYS 50 -22.034 6.364 6.364
375 1HG LYS 50 HG2 LYS 50 -22.427 6.880 6.880
376 2HG LYS 50 HG1 LYS 50 -23.938 6.957 6.957
377 1HD LYS 50 HD2 LYS 50 -21.330 8.477 8.477
378 2HD LYS 50 HD1 LYS 50 -22.846 9.119 9.119
379 1HE LYS 50 HE2 LYS 50 -23.845 8.229 8.229
380 2HE LYS 50 HE1 LYS 50 -22.133 8.278 8.278
381 1HZ LYS 50 HZ3 LYS 50 -22.016 10.556 10.556
382 2HZ LYS 50 HZ2 LYS 50 -23.684 10.515 10.515
383 3HZ LYS 50 HZ1 LYS 50 -23.121 10.432 10.432
384 H LYS 51 HN LYS 51 -20.835 5.923 5.923
385 HA LYS 51 HA LYS 51 -21.323 5.013 5.013
386 1HB LYS 51 HB2 LYS 51 -20.959 2.500 2.500
387 2HB LYS 51 HB1 LYS 51 -21.203 2.478 2.478
388 1HG LYS 51 HG2 LYS 51 -19.038 4.266 4.266
389 2HG LYS 51 HG1 LYS 51 -18.739 2.555 2.555
390 1HD LYS 51 HD2 LYS 51 -18.149 3.138 3.138
391 2HD LYS 51 HD1 LYS 51 -19.888 3.292 3.292
392 1HE LYS 51 HE2 LYS 51 -19.779 5.686 5.686
393 2HE LYS 51 HE1 LYS 51 -18.024 5.535 5.535
394 1HZ LYS 51 HZ1 LYS 51 -17.983 4.637 4.637
395 2HZ LYS 51 HZ3 LYS 51 -19.637 4.986 4.986
396 3HZ LYS 51 HZ2 LYS 51 -18.519 6.247 6.247
397 H ARG 52 HN ARG 52 -23.613 5.202 5.202
398 HA ARG 52 HA ARG 52 -25.602 3.497 3.497
399 1HB ARG 52 HB2 ARG 52 -25.809 4.781 4.781
400 2HB ARG 52 HB1 ARG 52 -26.872 3.551 3.551
401 1HG ARG 52 HG2 ARG 52 -24.085 3.365 3.365
402 2HG ARG 52 HG1 ARG 52 -25.451 2.326 2.326
403 1HD ARG 52 HD2 ARG 52 -23.731 2.200 2.200
404 2HD ARG 52 HD1 ARG 52 -24.032 0.951 0.951
405 HE ARG 52 HE ARG 52 -25.724 1.505 1.505
406 1HH1 ARG 52 HH21 ARG 52 -28.006 2.254 2.254
407 2HH1 ARG 52 HH22 ARG 52 -28.658 1.011 1.011
408 1HH2 ARG 52 HH11 ARG 52 -25.640 -0.681 -0.681
409 2HH2 ARG 52 HH12 ARG 52 -27.317 -0.653 -0.653
410 H ARG 53 HN ARG 53 -24.663 6.774 6.774
411 HA ARG 53 HA ARG 53 -27.137 8.159 8.159
412 1HB ARG 53 HB2 ARG 53 -25.786 10.040 10.040
413 2HB ARG 53 HB1 ARG 53 -24.784 9.047 9.047
414 1HG ARG 53 HG2 ARG 53 -23.268 9.029 9.029
415 2HG ARG 53 HG1 ARG 53 -24.300 7.985 7.985
416 1HD ARG 53 HD2 ARG 53 -24.978 10.916 10.916
417 2HD ARG 53 HD1 ARG 53 -23.430 10.472 10.472
418 HE ARG 53 HE ARG 53 -24.707 8.655 8.655
419 1HH1 ARG 53 HH11 ARG 53 -26.846 10.763 10.763
420 2HH1 ARG 53 HH12 ARG 53 -27.784 11.120 11.120
421 1HH2 ARG 53 HH21 ARG 53 -25.687 9.416 9.416
422 2HH2 ARG 53 HH22 ARG 53 -27.130 10.356 10.356
423 H GLN 54 HN GLN 54 -25.533 6.389 6.389
424 HA GLN 54 HA GLN 54 -26.637 7.658 7.658
425 1HB GLN 54 HB2 GLN 54 -26.043 4.682 4.682
426 2HB GLN 54 HB1 GLN 54 -26.107 5.599 5.599
427 1HG GLN 54 HG2 GLN 54 -24.156 6.706 6.706
428 2HG GLN 54 HG1 GLN 54 -24.176 6.597 6.597
429 1HE2 GLN 54 HE22 GLN 54 -21.986 3.903 3.903
430 2HE2 GLN 54 HE21 GLN 54 -22.455 5.385 5.385
431 H ARG 55 HN ARG 55 -27.925 5.039 5.039
432 HA ARG 55 HA ARG 55 -30.117 4.232 4.232
433 1HB ARG 55 HB2 ARG 55 -30.836 6.817 6.817
434 2HB ARG 55 HB1 ARG 55 -31.909 5.781 5.781
435 1HG ARG 55 HG2 ARG 55 -30.594 6.124 6.124
436 2HG ARG 55 HG1 ARG 55 -29.521 7.211 7.211
437 1HD ARG 55 HD2 ARG 55 -31.430 8.702 8.702
438 2HD ARG 55 HD1 ARG 55 -32.500 7.651 7.651
439 HE ARG 55 HE ARG 55 -30.350 9.375 9.375
440 1HH1 ARG 55 HH21 ARG 55 -29.764 7.004 7.004
441 2HH1 ARG 55 HH22 ARG 55 -30.926 6.972 6.972
442 1HH2 ARG 55 HH11 ARG 55 -33.066 9.246 9.246
443 2HH2 ARG 55 HH12 ARG 55 -32.802 8.246 8.246
444 H ARG 56 HN ARG 56 -28.485 4.169 4.169
445 HA ARG 56 HA ARG 56 -30.641 2.676 2.676
446 1HB ARG 56 HB2 ARG 56 -28.527 4.345 4.345
447 2HB ARG 56 HB1 ARG 56 -30.017 3.698 3.698
448 1HG ARG 56 HG2 ARG 56 -31.235 5.441 5.441
449 2HG ARG 56 HG1 ARG 56 -30.531 5.515 5.515
450 1HD ARG 56 HD2 ARG 56 -28.501 6.511 6.511
451 2HD ARG 56 HD1 ARG 56 -29.305 6.556 6.556
452 HE ARG 56 HE ARG 56 -29.920 8.332 8.332
453 1HH1 ARG 56 HH21 ARG 56 -32.553 7.556 7.556
454 2HH1 ARG 56 HH22 ARG 56 -33.302 8.255 8.255
455 1HH2 ARG 56 HH11 ARG 56 -30.297 8.875 8.875
456 2HH2 ARG 56 HH12 ARG 56 -32.022 9.002 9.002
457 H ARG 57 HN ARG 57 -28.525 1.726 1.726
458 HA ARG 57 HA ARG 57 -26.162 0.838 0.838
459 1HB ARG 57 HB2 ARG 57 -26.846 0.746 0.746
460 2HB ARG 57 HB1 ARG 57 -27.831 -0.687 -0.687
461 1HG ARG 57 HG2 ARG 57 -25.847 -1.657 -1.657
462 2HG ARG 57 HG1 ARG 57 -25.510 -1.493 -1.493
463 1HD ARG 57 HD2 ARG 57 -24.478 0.712 0.712
464 2HD ARG 57 HD1 ARG 57 -24.651 0.426 0.426
465 HE ARG 57 HE ARG 57 -22.716 -0.878 -0.878
466 1HH1 ARG 57 HH21 ARG 57 -23.037 -3.378 -3.378
467 2HH1 ARG 57 HH22 ARG 57 -22.840 -3.755 -3.755
468 1HH2 ARG 57 HH11 ARG 57 -23.194 -0.463 -0.463
469 2HH2 ARG 57 HH12 ARG 57 -22.930 -2.101 -2.101
470 HA PRO 58 HA PRO 58 -28.434 -2.994 -2.994
471 1HB PRO 58 HB2 PRO 58 -31.154 -3.206 -3.206
472 2HB PRO 58 HB1 PRO 58 -30.001 -3.680 -3.680
473 1HG PRO 58 HG2 PRO 58 -31.792 -1.367 -1.367
474 2HG PRO 58 HG1 PRO 58 -31.051 -2.141 -2.141
475 1HD PRO 58 HD2 PRO 58 -30.267 0.209 0.209
476 2HD PRO 58 HD1 PRO 58 -29.533 -0.383 -0.383
477 H SER 59 HN SER 59 -29.019 0.117 0.117
478 HA SER 59 HA SER 59 -30.402 -0.754 -0.754
479 1HB SER 59 HB2 SER 59 -30.512 1.891 1.891
480 2HB SER 59 HB1 SER 59 -31.149 1.503 1.503
481 HG SER 59 HG SER 59 -32.867 0.714 0.714
482 H GLN 60 HN GLN 60 -29.574 0.026 0.026
483 HA GLN 60 HA GLN 60 -27.324 1.920 1.920
484 1HB GLN 60 HB2 GLN 60 -27.186 -1.044 -1.044
485 2HB GLN 60 HB1 GLN 60 -26.087 0.053 0.053
486 1HG GLN 60 HG2 GLN 60 -24.834 0.504 0.504
487 2HG GLN 60 HG1 GLN 60 -26.105 0.600 0.600
488 1HE2 GLN 60 HE22 GLN 60 -25.278 -2.545 -2.545
489 2HE2 GLN 60 HE21 GLN 60 -25.720 -0.923 -0.923
490 H GLY 61 HN GLY 61 -27.287 0.036 0.036
491 1HA GLY 61 HA2 GLY 61 -28.415 0.148 0.148
492 2HA GLY 61 HA1 GLY 61 -29.580 1.265 1.265
493 H GLY 62 HN GLY 62 -26.072 1.140 1.140
494 1HA GLY 62 HA2 GLY 62 -24.730 2.734 2.734
495 2HA GLY 62 HA1 GLY 62 -26.194 3.587 3.587
496 H GLN 63 HN GLN 63 -25.837 2.836 2.836
497 HA GLN 63 HA GLN 63 -25.832 5.648 5.648
498 1HB GLN 63 HB2 GLN 63 -25.907 2.980 2.980
499 2HB GLN 63 HB1 GLN 63 -25.594 4.294 4.294
500 1HG GLN 63 HG2 GLN 63 -27.785 3.971 3.971
501 2HG GLN 63 HG1 GLN 63 -28.017 3.630 3.630
502 1HE2 GLN 63 HE22 GLN 63 -27.383 7.423 7.423
503 2HE2 GLN 63 HE21 GLN 63 -26.365 6.087 6.087
504 H THR 64 HN THR 64 -23.388 3.193 3.193
505 HA THR 64 HA THR 64 -21.083 3.150 3.150
506 HB THR 64 HB THR 64 -21.669 6.044 6.044
507 HG1 THR 64 HG1 THR 64 -21.919 5.205 5.205
508 1HG2 THR 64 HG23 THR 64 -19.198 4.701 4.701
509 2HG2 THR 64 HG22 THR 64 -19.063 5.507 5.507
510 3HG2 THR 64 HG21 THR 64 -19.538 6.425 6.425
511 H HIS 65 HN HIS 65 -22.483 2.999 2.999
512 HA HIS 65 HA HIS 65 -21.955 5.092 5.092
513 1HB HIS 65 HB2 HIS 65 -22.900 2.271 2.271
514 2HB HIS 65 HB1 HIS 65 -22.457 2.924 2.924
515 HD1 HIS 65 HD1 HIS 65 -25.322 2.033 2.033
516 HD2 HIS 65 HD2 HIS 65 -23.919 5.965 5.965
517 HE1 HIS 65 HE1 HIS 65 -27.364 3.524 3.524
518 H GLN 66 HN GLN 66 -20.747 3.814 3.814
519 HA GLN 66 HA GLN 66 -18.038 3.065 3.065
520 1HB GLN 66 HB2 GLN 66 -18.983 5.064 5.064
521 2HB GLN 66 HB1 GLN 66 -17.361 4.387 4.387
522 1HG GLN 66 HG2 GLN 66 -16.925 6.268 6.268
523 2HG GLN 66 HG1 GLN 66 -16.997 4.944 4.944
524 1HE2 GLN 66 HE22 GLN 66 -20.585 6.856 6.856
525 2HE2 GLN 66 HE21 GLN 66 -20.110 5.960 5.960
526 H ASP 67 HN ASP 67 -19.965 3.205 3.205
527 HA ASP 67 HA ASP 67 -18.539 0.974 0.974
528 1HB ASP 67 HB2 ASP 67 -19.335 2.819 2.819
529 2HB ASP 67 HB1 ASP 67 -20.990 2.600 2.600
530 HA PRO 68 HA PRO 68 -22.550 -1.393 -1.393
531 1HB PRO 68 HB2 PRO 68 -24.514 -0.287 -0.287
532 2HB PRO 68 HB1 PRO 68 -24.356 -0.026 -0.026
533 1HG PRO 68 HG2 PRO 68 -23.758 1.816 1.816
534 2HG PRO 68 HG1 PRO 68 -24.142 2.181 2.181
535 1HD PRO 68 HD2 PRO 68 -21.595 2.096 2.096
536 2HD PRO 68 HD1 PRO 68 -21.980 2.523 2.523
537 H ILE 69 HN ILE 69 -21.021 0.267 0.267
538 HA ILE 69 HA ILE 69 -21.710 -2.011 -2.011
539 HB ILE 69 HB ILE 69 -22.419 0.582 0.582
540 1HG1 ILE 69 HG12 ILE 69 -22.733 -1.638 -1.638
541 2HG1 ILE 69 HG11 ILE 69 -23.358 -0.047 -0.047
542 1HG2 ILE 69 HG23 ILE 69 -19.994 1.238 1.238
543 2HG2 ILE 69 HG22 ILE 69 -19.990 0.418 0.418
544 3HG2 ILE 69 HG21 ILE 69 -21.039 1.804 1.804
545 1HD1 ILE 69 HD12 ILE 69 -20.578 -0.566 -0.566
546 2HD1 ILE 69 HD11 ILE 69 -21.798 -1.506 -1.506
547 3HD1 ILE 69 HD13 ILE 69 -21.869 0.256 0.256
548 HA PRO 70 HA PRO 70 -16.944 -1.094 -1.094
549 1HB PRO 70 HB2 PRO 70 -16.051 -2.613 -2.613
550 2HB PRO 70 HB1 PRO 70 -16.430 -0.875 -0.875
551 1HG PRO 70 HG2 PRO 70 -18.062 -3.253 -3.253
552 2HG PRO 70 HG1 PRO 70 -17.833 -1.728 -1.728
553 1HD PRO 70 HD2 PRO 70 -20.045 -2.240 -2.240
554 2HD PRO 70 HD1 PRO 70 -19.366 -0.589 -0.589
555 H LYS 71 HN LYS 71 -19.178 -3.628 -3.628
556 HA LYS 71 HA LYS 71 -17.690 -6.012 -6.012
557 1HB LYS 71 HB2 LYS 71 -20.349 -4.919 -4.919
558 2HB LYS 71 HB1 LYS 71 -19.924 -6.600 -6.600
559 1HG LYS 71 HG2 LYS 71 -21.172 -6.541 -6.541
560 2HG LYS 71 HG1 LYS 71 -19.682 -7.040 -7.040
561 1HD LYS 71 HD2 LYS 71 -20.791 -4.163 -4.163
562 2HD LYS 71 HD1 LYS 71 -21.783 -5.262 -5.262
563 1HE LYS 71 HE2 LYS 71 -18.855 -5.047 -5.047
564 2HE LYS 71 HE1 LYS 71 -20.061 -3.931 -3.931
565 1HZ LYS 71 HZ1 LYS 71 -21.418 -5.848 -5.848
566 2HZ LYS 71 HZ3 LYS 71 -20.204 -6.898 -6.898
567 3HZ LYS 71 HZ2 LYS 71 -19.904 -5.875 -5.875
568 H GLN 72 HN GLN 72 -19.126 -3.656 -3.656
569 HA GLN 72 HA GLN 72 -17.178 -3.938 -3.938
570 1HB GLN 72 HB2 GLN 72 -19.329 -5.098 -5.098
571 2HB GLN 72 HB1 GLN 72 -17.992 -6.008 -6.008
572 1HG GLN 72 HG2 GLN 72 -20.059 -6.942 -6.942
573 2HG GLN 72 HG1 GLN 72 -19.590 -6.222 -6.222
574 1HE2 GLN 72 HE22 GLN 72 -22.381 -3.865 -3.865
575 2HE2 GLN 72 HE21 GLN 72 -20.882 -4.083 -4.083
576 HA PRO 73 HA PRO 73 -19.521 -0.513 -0.513
577 1HB PRO 73 HB2 PRO 73 -20.326 -1.092 -1.092
578 2HB PRO 73 HB1 PRO 73 -18.613 -0.740 -0.740
579 1HG PRO 73 HG2 PRO 73 -19.891 -3.445 -3.445
580 2HG PRO 73 HG1 PRO 73 -18.375 -2.893 -2.893
581 1HD PRO 73 HD2 PRO 73 -18.418 -4.389 -4.389
582 2HD PRO 73 HD1 PRO 73 -17.287 -3.037 -3.037
583 H SER 74 HN SER 74 -21.170 -3.551 -3.551
584 HA SER 74 HA SER 74 -23.390 -4.268 -4.268
585 1HB SER 74 HB2 SER 74 -23.695 -4.083 -4.083
586 2HB SER 74 HB1 SER 74 -22.670 -2.776 -2.776
587 HG SER 74 HG SER 74 -25.392 -2.981 -2.981
588 H SER 75 HN SER 75 -24.556 -3.763 -3.763
589 HA SER 75 HA SER 75 -26.270 -2.655 -2.655
590 1HB SER 75 HB2 SER 75 -26.490 -1.725 -1.725
591 2HB SER 75 HB1 SER 75 -26.153 -0.226 -0.226
592 HG SER 75 HG SER 75 -28.164 -0.283 -0.283
593 H GLN 76 HN GLN 76 -23.267 -1.015 -1.015
594 HA GLN 76 HA GLN 76 -23.495 1.059 1.059
595 1HB GLN 76 HB2 GLN 76 -21.464 0.022 0.022
596 2HB GLN 76 HB1 GLN 76 -20.893 0.995 0.995
597 1HG GLN 76 HG2 GLN 76 -21.432 2.812 2.812
598 2HG GLN 76 HG1 GLN 76 -23.124 2.381 2.381
599 1HE2 GLN 76 HE22 GLN 76 -23.374 0.833 0.833
600 2HE2 GLN 76 HE21 GLN 76 -23.969 0.699 0.699
601 HA PRO 77 HA PRO 77 -20.586 -1.932 -1.932
602 1HB PRO 77 HB2 PRO 77 -20.523 -4.574 -4.574
603 2HB PRO 77 HB1 PRO 77 -19.432 -3.319 -3.319
604 1HG PRO 77 HG2 PRO 77 -21.882 -4.539 -4.539
605 2HG PRO 77 HG1 PRO 77 -20.390 -4.069 -4.069
606 1HD PRO 77 HD2 PRO 77 -22.764 -2.721 -2.721
607 2HD PRO 77 HD1 PRO 77 -21.235 -1.954 -1.954
608 H ARG 78 HN ARG 78 -23.798 -2.656 -2.656
609 HA ARG 78 HA ARG 78 -24.411 -3.724 -3.724
610 1HB ARG 78 HB2 ARG 78 -25.725 -5.572 -5.572
611 2HB ARG 78 HB1 ARG 78 -23.964 -5.672 -5.672
612 1HG ARG 78 HG2 ARG 78 -24.341 -4.515 -4.515
613 2HG ARG 78 HG1 ARG 78 -26.071 -4.514 -4.514
614 1HD ARG 78 HD2 ARG 78 -26.063 -6.995 -6.995
615 2HD ARG 78 HD1 ARG 78 -24.318 -6.984 -6.984
616 HE ARG 78 HE ARG 78 -25.882 -5.378 -5.378
617 1HH1 ARG 78 HH11 ARG 78 -23.255 -7.015 -7.015
618 2HH1 ARG 78 HH12 ARG 78 -23.801 -8.215 -8.215
619 1HH2 ARG 78 HH21 ARG 78 -27.171 -7.553 -7.553
620 2HH2 ARG 78 HH22 ARG 78 -26.023 -8.520 -8.520
621 H GLY 79 HN GLY 79 -25.035 -1.150 -1.150
622 1HA GLY 79 HA2 GLY 79 -28.001 -1.246 -1.246
623 2HA GLY 79 HA1 GLY 79 -27.327 -0.631 -0.631
624 H ASP 80 HN ASP 80 -27.146 1.533 1.533
625 HA ASP 80 HA ASP 80 -27.369 3.159 3.159
626 1HB ASP 80 HB2 ASP 80 -28.336 3.779 3.779
627 2HB ASP 80 HB1 ASP 80 -26.713 3.805 3.805
628 HA PRO 81 HA PRO 81 -23.027 3.335 3.335
629 1HB PRO 81 HB2 PRO 81 -23.022 5.594 5.594
630 2HB PRO 81 HB1 PRO 81 -23.605 4.022 4.022
631 1HG PRO 81 HG2 PRO 81 -25.165 6.355 6.355
632 2HG PRO 81 HG1 PRO 81 -25.497 5.313 5.313
633 1HD PRO 81 HD2 PRO 81 -26.769 5.019 5.019
634 2HD PRO 81 HD1 PRO 81 -26.404 3.639 3.639
635 H THR 82 HN THR 82 -22.445 3.838 3.838
636 HA THR 82 HA THR 82 -22.579 6.525 6.525
637 HB THR 82 HB THR 82 -20.693 5.291 5.291
638 HG1 THR 82 HG1 THR 82 -20.429 3.439 3.439
639 1HG2 THR 82 HG23 THR 82 -23.321 5.894 5.894
640 2HG2 THR 82 HG22 THR 82 -23.400 4.134 4.134
641 3HG2 THR 82 HG21 THR 82 -22.392 5.015 5.015
642 H GLY 83 HN GLY 83 -19.881 4.567 4.567
643 1HA GLY 83 HA2 GLY 83 -18.605 6.537 6.537
644 2HA GLY 83 HA1 GLY 83 -18.039 6.773 6.773
645 HA PRO 84 HA PRO 84 -15.310 3.423 3.423
646 1HB PRO 84 HB2 PRO 84 -13.736 3.634 3.634
647 2HB PRO 84 HB1 PRO 84 -13.695 4.801 4.801
648 1HG PRO 84 HG2 PRO 84 -14.717 5.138 5.138
649 2HG PRO 84 HG1 PRO 84 -14.426 6.357 6.357
650 1HD PRO 84 HD2 PRO 84 -16.875 4.966 4.966
651 2HD PRO 84 HD1 PRO 84 -16.817 6.496 6.496
652 H LYS 85 HN LYS 85 -17.691 3.212 3.212
653 HA LYS 85 HA LYS 85 -16.723 0.735 0.735
654 1HB LYS 85 HB2 LYS 85 -19.358 2.236 2.236
655 2HB LYS 85 HB1 LYS 85 -18.805 0.954 0.954
656 1HG LYS 85 HG2 LYS 85 -16.757 2.507 2.507
657 2HG LYS 85 HG1 LYS 85 -17.737 3.764 3.764
658 1HD LYS 85 HD2 LYS 85 -18.078 3.906 3.906
659 2HD LYS 85 HD1 LYS 85 -19.548 3.298 3.298
660 1HE LYS 85 HE2 LYS 85 -19.300 1.168 1.168
661 2HE LYS 85 HE1 LYS 85 -17.539 1.255 1.255
662 1HZ LYS 85 HZ1 LYS 85 -17.700 2.915 2.915
663 2HZ LYS 85 HZ3 LYS 85 -19.393 2.802 2.802
664 3HZ LYS 85 HZ2 LYS 85 -18.461 1.471 1.471
665 H GLU 86 HN GLU 86 -17.909 1.327 1.327
666 HA GLU 86 HA GLU 86 -20.039 -0.640 -0.640
667 1HB GLU 86 HB2 GLU 86 -18.269 0.841 0.841
668 2HB GLU 86 HB1 GLU 86 -19.660 -0.157 -0.157
669 1HG GLU 86 HG2 GLU 86 -21.060 1.262 1.262
670 2HG GLU 86 HG1 GLU 86 -19.566 2.275 2.275
Start of MODEL 6
1 1H LEU 1 HT2 LEU 1 -24.692 20.868 20.868
2 2H LEU 1 HT1 LEU 1 -23.651 21.557 21.557
3 3H LEU 1 HT3 LEU 1 -25.233 21.128 21.128
4 HA LEU 1 HA LEU 1 -23.821 19.440 19.440
5 1HB LEU 1 HB2 LEU 1 -22.122 18.420 18.420
6 2HB LEU 1 HB1 LEU 1 -21.953 20.177 20.177
7 HG LEU 1 HG LEU 1 -23.791 19.345 19.345
8 1HD1 LEU 1 HD13 LEU 1 -22.626 17.097 17.097
9 2HD1 LEU 1 HD12 LEU 1 -21.194 17.846 17.846
10 3HD1 LEU 1 HD11 LEU 1 -22.666 17.683 17.683
11 1HD2 LEU 1 HD21 LEU 1 -22.061 21.266 21.266
12 2HD2 LEU 1 HD23 LEU 1 -22.384 20.517 20.517
13 3HD2 LEU 1 HD22 LEU 1 -20.933 20.081 20.081
14 H ASP 2 HN ASP 2 -24.018 17.040 17.040
15 HA ASP 2 HA ASP 2 -25.507 15.249 15.249
16 1HB ASP 2 HB2 ASP 2 -24.238 15.961 15.961
17 2HB ASP 2 HB1 ASP 2 -25.906 16.306 16.306
18 HA PRO 3 HA PRO 3 -29.335 17.894 17.894
19 1HB PRO 3 HB2 PRO 3 -29.753 18.147 18.147
20 2HB PRO 3 HB1 PRO 3 -28.766 19.276 19.276
21 1HG PRO 3 HG2 PRO 3 -27.906 17.163 17.163
22 2HG PRO 3 HG1 PRO 3 -27.107 18.664 18.664
23 1HD PRO 3 HD2 PRO 3 -26.717 15.985 15.985
24 2HD PRO 3 HD1 PRO 3 -25.791 17.419 17.419
25 H VAL 4 HN VAL 4 -29.449 16.121 16.121
26 HA VAL 4 HA VAL 4 -31.628 14.385 14.385
27 HB VAL 4 HB VAL 4 -29.804 14.693 14.693
28 1HG1 VAL 4 HG11 VAL 4 -31.852 12.500 12.500
29 2HG1 VAL 4 HG13 VAL 4 -31.257 13.024 13.024
30 3HG1 VAL 4 HG12 VAL 4 -30.144 12.322 12.322
31 1HG2 VAL 4 HG23 VAL 4 -32.724 15.134 15.134
32 2HG2 VAL 4 HG22 VAL 4 -31.543 16.286 16.286
33 3HG2 VAL 4 HG21 VAL 4 -32.167 15.010 15.010
34 H ASP 5 HN ASP 5 -28.274 13.912 13.912
35 HA ASP 5 HA ASP 5 -27.691 12.017 12.017
36 1HB ASP 5 HB2 ASP 5 -28.225 11.204 11.204
37 2HB ASP 5 HB1 ASP 5 -26.879 10.386 10.386
38 HA PRO 6 HA PRO 6 -23.796 13.559 13.559
39 1HB PRO 6 HB2 PRO 6 -23.503 13.582 13.582
40 2HB PRO 6 HB1 PRO 6 -23.322 12.095 12.095
41 1HG PRO 6 HG2 PRO 6 -25.481 12.879 12.879
42 2HG PRO 6 HG1 PRO 6 -25.080 11.270 11.270
43 1HD PRO 6 HD2 PRO 6 -27.130 13.116 13.116
44 2HD PRO 6 HD1 PRO 6 -26.786 11.418 11.418
45 H ASN 7 HN ASN 7 -22.995 15.536 15.536
46 HA ASN 7 HA ASN 7 -24.850 17.717 17.717
47 1HB ASN 7 HB2 ASN 7 -22.203 17.414 17.414
48 2HB ASN 7 HB1 ASN 7 -23.062 18.962 18.962
49 1HD2 ASN 7 HD22 ASN 7 -21.382 17.509 17.509
50 2HD2 ASN 7 HD21 ASN 7 -21.587 16.470 16.470
51 H ILE 8 HN ILE 8 -23.679 16.230 16.230
52 HA ILE 8 HA ILE 8 -26.246 17.113 17.113
53 HB ILE 8 HB ILE 8 -25.119 18.062 18.062
54 1HG1 ILE 8 HG12 ILE 8 -23.588 16.237 16.237
55 2HG1 ILE 8 HG11 ILE 8 -22.702 17.738 17.738
56 1HG2 ILE 8 HG21 ILE 8 -24.783 19.364 19.364
57 2HG2 ILE 8 HG23 ILE 8 -23.201 18.602 18.602
58 3HG2 ILE 8 HG22 ILE 8 -23.534 19.650 19.650
59 1HD1 ILE 8 HD12 ILE 8 -22.228 17.076 17.076
60 2HD1 ILE 8 HD11 ILE 8 -22.716 15.457 15.457
61 3HD1 ILE 8 HD13 ILE 8 -21.345 16.247 16.247
62 H GLU 9 HN GLU 9 -24.878 14.451 14.451
63 HA GLU 9 HA GLU 9 -24.704 12.211 12.211
64 1HB GLU 9 HB2 GLU 9 -27.045 13.411 13.411
65 2HB GLU 9 HB1 GLU 9 -26.588 11.712 11.712
66 1HG GLU 9 HG2 GLU 9 -26.818 11.436 11.436
67 2HG GLU 9 HG1 GLU 9 -27.253 13.140 13.140
68 HA PRO 10 HA PRO 10 -22.524 13.275 13.275
69 1HB PRO 10 HB2 PRO 10 -19.956 13.280 13.280
70 2HB PRO 10 HB1 PRO 10 -21.192 14.617 14.617
71 1HG PRO 10 HG2 PRO 10 -20.082 12.904 12.904
72 2HG PRO 10 HG1 PRO 10 -20.711 14.541 14.541
73 1HD PRO 10 HD2 PRO 10 -22.040 12.039 12.039
74 2HD PRO 10 HD1 PRO 10 -22.684 13.686 13.686
75 H TRP 11 HN TRP 11 -23.260 10.568 10.568
76 HA TRP 11 HA TRP 11 -20.945 8.942 8.942
77 1HB TRP 11 HB2 TRP 11 -23.440 8.017 8.017
78 2HB TRP 11 HB1 TRP 11 -21.908 7.182 7.182
79 HD1 TRP 11 HD1 TRP 11 -22.958 10.398 10.398
80 HE1 TRP 11 HE1 TRP 11 -21.432 10.638 10.638
81 HE3 TRP 11 HE3 TRP 11 -19.958 6.308 6.308
82 HZ2 TRP 11 HZ2 TRP 11 -19.238 9.265 9.265
83 HZ3 TRP 11 HZ3 TRP 11 -18.170 5.807 5.807
84 HH2 TRP 11 HH2 TRP 11 -17.809 7.275 7.275
85 H ASN 12 HN ASN 12 -22.435 10.331 10.331
86 HA ASN 12 HA ASN 12 -24.005 8.168 8.168
87 1HB ASN 12 HB2 ASN 12 -24.557 11.099 11.099
88 2HB ASN 12 HB1 ASN 12 -25.642 9.741 9.741
89 1HD2 ASN 12 HD22 ASN 12 -25.332 10.550 10.550
90 2HD2 ASN 12 HD21 ASN 12 -24.090 11.047 11.047
91 H HIS 13 HN HIS 13 -21.608 8.078 8.078
92 HA HIS 13 HA HIS 13 -21.078 10.133 10.133
93 1HB HIS 13 HB2 HIS 13 -19.515 7.926 7.926
94 2HB HIS 13 HB1 HIS 13 -18.844 8.804 8.804
95 HD1 HIS 13 HD1 HIS 13 -17.165 9.259 9.259
96 HD2 HIS 13 HD2 HIS 13 -20.712 11.422 11.422
97 HE1 HIS 13 HE1 HIS 13 -16.899 11.302 11.302
98 HA PRO 14 HA PRO 14 -21.924 7.185 7.185
99 1HB PRO 14 HB2 PRO 14 -19.969 7.872 7.872
100 2HB PRO 14 HB1 PRO 14 -21.408 8.862 8.862
101 1HG PRO 14 HG2 PRO 14 -18.620 9.155 9.155
102 2HG PRO 14 HG1 PRO 14 -19.827 10.413 10.413
103 1HD PRO 14 HD2 PRO 14 -18.941 9.421 9.421
104 2HD PRO 14 HD1 PRO 14 -20.356 10.491 10.491
105 H GLY 15 HN GLY 15 -18.715 7.337 7.337
106 1HA GLY 15 HA2 GLY 15 -17.196 5.684 5.684
107 2HA GLY 15 HA1 GLY 15 -18.276 4.461 4.461
108 H SER 16 HN SER 16 -17.418 7.448 7.448
109 HA SER 16 HA SER 16 -15.228 6.250 6.250
110 1HB SER 16 HB2 SER 16 -17.515 5.585 5.585
111 2HB SER 16 HB1 SER 16 -17.777 7.298 7.298
112 HG SER 16 HG SER 16 -16.781 5.728 5.728
113 H GLN 17 HN GLN 17 -16.260 8.875 8.875
114 HA GLN 17 HA GLN 17 -14.751 10.745 10.745
115 1HB GLN 17 HB2 GLN 17 -17.599 11.042 11.042
116 2HB GLN 17 HB1 GLN 17 -16.492 12.420 12.420
117 1HG GLN 17 HG2 GLN 17 -16.185 11.226 11.226
118 2HG GLN 17 HG1 GLN 17 -17.495 10.143 10.143
119 1HE2 GLN 17 HE22 GLN 17 -19.112 12.827 12.827
120 2HE2 GLN 17 HE21 GLN 17 -18.058 11.522 11.522
121 HA PRO 18 HA PRO 18 -14.623 12.603 12.603
122 1HB PRO 18 HB2 PRO 18 -16.179 11.519 11.519
123 2HB PRO 18 HB1 PRO 18 -16.734 12.823 12.823
124 1HG PRO 18 HG2 PRO 18 -17.213 9.883 9.883
125 2HG PRO 18 HG1 PRO 18 -18.370 11.212 11.212
126 1HD PRO 18 HD2 PRO 18 -17.230 9.791 9.791
127 2HD PRO 18 HD1 PRO 18 -17.694 11.516 11.516
128 H LYS 19 HN LYS 19 -14.631 9.265 9.265
129 HA LYS 19 HA LYS 19 -12.575 8.740 8.740
130 1HB LYS 19 HB2 LYS 19 -14.408 6.696 6.696
131 2HB LYS 19 HB1 LYS 19 -13.548 6.615 6.615
132 1HG LYS 19 HG2 LYS 19 -15.012 8.458 8.458
133 2HG LYS 19 HG1 LYS 19 -15.842 8.439 8.439
134 1HD LYS 19 HD2 LYS 19 -17.197 7.132 7.132
135 2HD LYS 19 HD1 LYS 19 -16.329 5.969 5.969
136 1HE LYS 19 HE2 LYS 19 -14.603 5.790 5.790
137 2HE LYS 19 HE1 LYS 19 -15.677 6.788 6.788
138 1HZ LYS 19 HZ2 LYS 19 -16.524 4.310 4.310
139 2HZ LYS 19 HZ1 LYS 19 -16.074 4.356 4.356
140 3HZ LYS 19 HZ3 LYS 19 -17.438 5.215 5.215
141 H THR 20 HN THR 20 -13.007 9.165 9.165
142 HA THR 20 HA THR 20 -10.686 7.428 7.428
143 HB THR 20 HB THR 20 -13.440 7.355 7.355
144 HG1 THR 20 HG1 THR 20 -13.521 5.645 5.645
145 1HG2 THR 20 HG21 THR 20 -10.948 7.135 7.135
146 2HG2 THR 20 HG23 THR 20 -11.611 5.506 5.506
147 3HG2 THR 20 HG22 THR 20 -12.556 6.781 6.781
148 H ALA 21 HN ALA 21 -12.959 9.964 9.964
149 HA ALA 21 HA ALA 21 -11.356 10.738 10.738
150 1HB ALA 21 HB3 ALA 21 -13.518 12.173 12.173
151 2HB ALA 21 HB2 ALA 21 -12.913 12.678 12.678
152 3HB ALA 21 HB1 ALA 21 -13.755 11.138 11.138
153 H SER 22 HN SER 22 -9.275 10.781 10.781
154 HA SER 22 HA SER 22 -7.616 12.000 12.000
155 1HB SER 22 HB2 SER 22 -6.970 13.753 13.753
156 2HB SER 22 HB1 SER 22 -8.211 12.745 12.745
157 HG SER 22 HG SER 22 -9.422 14.412 14.412
158 H ASN 23 HN ASN 23 -10.008 11.872 11.872
159 HA ASN 23 HA ASN 23 -10.818 14.475 14.475
160 1HB ASN 23 HB2 ASN 23 -12.281 13.131 13.131
161 2HB ASN 23 HB1 ASN 23 -12.022 12.271 12.271
162 1HD2 ASN 23 HD22 ASN 23 -10.267 9.531 9.531
163 2HD2 ASN 23 HD21 ASN 23 -10.703 10.328 10.328
164 H ARG 24 HN ARG 24 -10.851 13.794 13.794
165 HA ARG 24 HA ARG 24 -8.510 14.969 14.969
166 1HB ARG 24 HB2 ARG 24 -10.493 13.019 13.019
167 2HB ARG 24 HB1 ARG 24 -9.447 13.962 13.962
168 1HG ARG 24 HG2 ARG 24 -10.634 15.899 15.899
169 2HG ARG 24 HG1 ARG 24 -11.125 15.424 15.424
170 1HD ARG 24 HD2 ARG 24 -12.059 13.982 13.982
171 2HD ARG 24 HD1 ARG 24 -12.976 15.389 15.389
172 HE ARG 24 HE ARG 24 -12.467 12.751 12.751
173 1HH1 ARG 24 HH11 ARG 24 -12.651 15.026 15.026
174 2HH1 ARG 24 HH12 ARG 24 -14.342 15.047 15.047
175 1HH2 ARG 24 HH21 ARG 24 -15.243 13.118 13.118
176 2HH2 ARG 24 HH22 ARG 24 -15.813 13.967 13.967
177 H ALA 25 HN ALA 25 -9.338 11.592 11.592
178 HA ALA 25 HA ALA 25 -8.033 9.630 9.630
179 1HB ALA 25 HB3 ALA 25 -7.543 10.766 10.766
180 2HB ALA 25 HB2 ALA 25 -5.951 11.032 11.032
181 3HB ALA 25 HB1 ALA 25 -6.579 9.391 9.391
182 H HIS 26 HN HIS 26 -7.749 11.432 11.432
183 HA HIS 26 HA HIS 26 -5.186 10.607 10.607
184 1HB HIS 26 HB2 HIS 26 -4.488 13.126 13.126
185 2HB HIS 26 HB1 HIS 26 -4.227 12.281 12.281
186 HD1 HIS 26 HD1 HIS 26 -4.211 14.887 14.887
187 HD2 HIS 26 HD2 HIS 26 -7.882 13.328 13.328
188 HE1 HIS 26 HE1 HIS 26 -6.000 16.382 16.382
189 H ALA 27 HN ALA 27 -6.615 13.686 13.686
190 HA ALA 27 HA ALA 27 -7.024 12.960 12.960
191 1HB ALA 27 HB2 ALA 27 -8.363 14.981 14.981
192 2HB ALA 27 HB1 ALA 27 -8.553 14.977 14.977
193 3HB ALA 27 HB3 ALA 27 -6.963 15.249 15.249
194 H LYS 28 HN LYS 28 -9.003 12.243 12.243
195 HA LYS 28 HA LYS 28 -11.562 11.868 11.868
196 1HB LYS 28 HB2 LYS 28 -11.212 12.031 12.031
197 2HB LYS 28 HB1 LYS 28 -10.111 10.626 10.626
198 1HG LYS 28 HG2 LYS 28 -12.141 9.252 9.252
199 2HG LYS 28 HG1 LYS 28 -13.142 10.682 10.682
200 1HD LYS 28 HD2 LYS 28 -13.420 9.537 9.537
201 2HD LYS 28 HD1 LYS 28 -12.164 10.708 10.708
202 1HE LYS 28 HE2 LYS 28 -10.434 8.950 8.950
203 2HE LYS 28 HE1 LYS 28 -11.744 7.777 7.777
204 1HZ LYS 28 HZ3 LYS 28 -12.579 8.408 8.408
205 2HZ LYS 28 HZ2 LYS 28 -11.231 9.423 9.423
206 3HZ LYS 28 HZ1 LYS 28 -11.020 7.742 7.742
207 H LYS 29 HN LYS 29 -8.745 9.736 9.736
208 HA LYS 29 HA LYS 29 -9.949 7.893 7.893
209 1HB LYS 29 HB2 LYS 29 -9.895 6.025 6.025
210 2HB LYS 29 HB1 LYS 29 -10.478 7.304 7.304
211 1HG LYS 29 HG2 LYS 29 -7.592 6.358 6.358
212 2HG LYS 29 HG1 LYS 29 -8.723 5.935 5.935
213 1HD LYS 29 HD2 LYS 29 -8.956 8.477 8.477
214 2HD LYS 29 HD1 LYS 29 -7.558 8.645 8.645
215 1HE LYS 29 HE2 LYS 29 -6.471 8.549 8.549
216 2HE LYS 29 HE1 LYS 29 -6.421 6.851 6.851
217 1HZ LYS 29 HZ1 LYS 29 -8.614 8.047 8.047
218 2HZ LYS 29 HZ3 LYS 29 -7.307 7.200 7.200
219 3HZ LYS 29 HZ2 LYS 29 -8.395 6.401 6.401
220 H SER 30 HN SER 30 -7.589 9.815 9.815
221 HA SER 30 HA SER 30 -5.091 8.595 8.595
222 1HB SER 30 HB2 SER 30 -4.371 10.416 10.416
223 2HB SER 30 HB1 SER 30 -5.495 10.942 10.942
224 HG SER 30 HG SER 30 -5.880 11.459 11.459
225 H ALA 31 HN ALA 31 -6.420 9.186 9.186
226 HA ALA 31 HA ALA 31 -6.007 6.403 6.403
227 1HB ALA 31 HB3 ALA 31 -4.059 8.622 8.622
228 2HB ALA 31 HB2 ALA 31 -4.190 7.184 7.184
229 3HB ALA 31 HB1 ALA 31 -3.710 7.032 7.032
230 H TYR 32 HN TYR 32 -8.358 7.456 7.456
231 HA TYR 32 HA TYR 32 -8.583 7.974 7.974
232 1HB TYR 32 HB2 TYR 32 -9.736 10.157 10.157
233 2HB TYR 32 HB1 TYR 32 -8.146 10.203 10.203
234 HD1 TYR 32 HD1 TYR 32 -8.645 9.029 9.029
235 HD2 TYR 32 HD2 TYR 32 -11.283 11.335 11.335
236 HE1 TYR 32 HE1 TYR 32 -9.921 9.731 9.731
237 HE2 TYR 32 HE2 TYR 32 -12.562 12.031 12.031
238 HH TYR 32 HH TYR 32 -11.622 12.105 12.105
239 H HIS 33 HN HIS 33 -9.340 5.766 5.766
240 HA HIS 33 HA HIS 33 -11.145 4.311 4.311
241 1HB HIS 33 HB2 HIS 33 -12.419 6.425 6.425
242 2HB HIS 33 HB1 HIS 33 -13.197 4.901 4.901
243 HD1 HIS 33 HD1 HIS 33 -12.434 2.785 2.785
244 HD2 HIS 33 HD2 HIS 33 -10.060 6.084 6.084
245 HE1 HIS 33 HE1 HIS 33 -10.912 2.063 2.063
246 H SER 34 HN SER 34 -10.817 7.082 7.082
247 HA SER 34 HA SER 34 -11.877 8.137 8.137
248 1HB SER 34 HB2 SER 34 -12.932 5.337 5.337
249 2HB SER 34 HB1 SER 34 -13.051 6.479 6.479
250 HG SER 34 HG SER 34 -11.035 4.893 4.893
251 H GLN 35 HN GLN 35 -13.240 9.555 9.555
252 HA GLN 35 HA GLN 35 -16.057 8.677 8.677
253 1HB GLN 35 HB2 GLN 35 -14.478 11.114 11.114
254 2HB GLN 35 HB1 GLN 35 -16.140 10.753 10.753
255 1HG GLN 35 HG2 GLN 35 -13.613 9.210 9.210
256 2HG GLN 35 HG1 GLN 35 -14.726 9.977 9.977
257 1HE2 GLN 35 HE22 GLN 35 -15.363 6.175 6.175
258 2HE2 GLN 35 HE21 GLN 35 -13.888 6.991 6.991
259 H VAL 36 HN VAL 36 -14.118 11.035 11.035
260 HA VAL 36 HA VAL 36 -14.677 12.451 12.451
261 HB VAL 36 HB VAL 36 -17.118 10.654 10.654
262 1HG1 VAL 36 HG12 VAL 36 -15.869 12.589 12.589
263 2HG1 VAL 36 HG11 VAL 36 -16.438 11.073 11.073
264 3HG1 VAL 36 HG13 VAL 36 -17.554 12.107 12.107
265 1HG2 VAL 36 HG22 VAL 36 -14.383 9.847 9.847
266 2HG2 VAL 36 HG21 VAL 36 -15.859 8.894 8.894
267 3HG2 VAL 36 HG23 VAL 36 -15.198 9.743 9.743
268 H ALA 37 HN ALA 37 -15.176 13.824 13.824
269 HA ALA 37 HA ALA 37 -16.545 15.428 15.428
270 1HB ALA 37 HB2 ALA 37 -16.200 16.325 16.325
271 2HB ALA 37 HB1 ALA 37 -17.641 15.470 15.470
272 3HB ALA 37 HB3 ALA 37 -17.785 16.778 16.778
273 H PHE 38 HN PHE 38 -17.527 13.264 13.264
274 HA PHE 38 HA PHE 38 -20.306 12.779 12.779
275 1HB PHE 38 HB2 PHE 38 -20.147 10.844 10.844
276 2HB PHE 38 HB1 PHE 38 -18.619 10.997 10.997
277 HD1 PHE 38 HD1 PHE 38 -17.770 13.379 13.379
278 HD2 PHE 38 HD2 PHE 38 -19.174 9.339 9.339
279 HE1 PHE 38 HE1 PHE 38 -16.624 13.192 13.192
280 HE2 PHE 38 HE2 PHE 38 -18.030 9.165 9.165
281 HZ PHE 38 HZ PHE 38 -16.757 11.089 11.089
282 H ILE 39 HN ILE 39 -20.902 12.028 12.028
283 HA ILE 39 HA ILE 39 -22.550 14.245 14.245
284 HB ILE 39 HB ILE 39 -22.732 13.111 13.111
285 1HG1 ILE 39 HG12 ILE 39 -21.080 10.859 10.859
286 2HG1 ILE 39 HG11 ILE 39 -20.130 12.168 12.168
287 1HG2 ILE 39 HG21 ILE 39 -23.440 12.181 12.181
288 2HG2 ILE 39 HG23 ILE 39 -22.908 10.768 10.768
289 3HG2 ILE 39 HG22 ILE 39 -24.209 11.779 11.779
290 1HD1 ILE 39 HD13 ILE 39 -22.478 11.012 11.012
291 2HD1 ILE 39 HD12 ILE 39 -20.829 10.409 10.409
292 3HD1 ILE 39 HD11 ILE 39 -21.213 12.067 12.067
293 H THR 40 HN THR 40 -19.258 13.587 13.587
294 HA THR 40 HA THR 40 -19.411 16.221 16.221
295 HB THR 40 HB THR 40 -17.581 13.830 13.830
296 HG1 THR 40 HG1 THR 40 -19.916 14.648 14.648
297 1HG2 THR 40 HG23 THR 40 -17.161 16.383 16.383
298 2HG2 THR 40 HG22 THR 40 -18.114 15.746 15.746
299 3HG2 THR 40 HG21 THR 40 -16.606 14.954 14.954
300 H LYS 41 HN LYS 41 -17.716 17.726 17.726
301 HA LYS 41 HA LYS 41 -16.327 17.586 17.586
302 1HB LYS 41 HB2 LYS 41 -16.284 19.507 19.507
303 2HB LYS 41 HB1 LYS 41 -15.426 19.792 19.792
304 1HG LYS 41 HG2 LYS 41 -18.381 19.337 19.337
305 2HG LYS 41 HG1 LYS 41 -17.632 20.893 20.893
306 1HD LYS 41 HD2 LYS 41 -18.147 20.202 20.202
307 2HD LYS 41 HD1 LYS 41 -16.581 19.412 19.412
308 1HE LYS 41 HE2 LYS 41 -18.154 17.431 17.431
309 2HE LYS 41 HE1 LYS 41 -19.330 18.202 18.202
310 1HZ LYS 41 HZ2 LYS 41 -17.360 18.095 18.095
311 2HZ LYS 41 HZ1 LYS 41 -16.619 17.072 17.072
312 3HZ LYS 41 HZ3 LYS 41 -18.082 16.614 16.614
313 H GLY 42 HN GLY 42 -15.573 16.253 16.253
314 1HA GLY 42 HA2 GLY 42 -12.682 16.622 16.622
315 2HA GLY 42 HA1 GLY 42 -13.544 15.525 15.525
316 H LEU 43 HN LEU 43 -14.820 14.816 14.816
317 HA LEU 43 HA LEU 43 -14.470 13.123 13.123
318 1HB LEU 43 HB2 LEU 43 -11.514 13.474 13.474
319 2HB LEU 43 HB1 LEU 43 -12.255 12.883 12.883
320 HG LEU 43 HG LEU 43 -12.540 15.696 15.696
321 1HD1 LEU 43 HD13 LEU 43 -10.543 14.216 14.216
322 2HD1 LEU 43 HD12 LEU 43 -11.232 15.430 15.430
323 3HD1 LEU 43 HD11 LEU 43 -10.541 15.917 15.917
324 1HD2 LEU 43 HD21 LEU 43 -14.565 14.885 14.885
325 2HD2 LEU 43 HD23 LEU 43 -13.703 16.127 16.127
326 3HD2 LEU 43 HD22 LEU 43 -13.550 14.430 14.430
327 H GLY 44 HN GLY 44 -14.976 12.391 12.391
328 1HA GLY 44 HA2 GLY 44 -14.871 10.487 10.487
329 2HA GLY 44 HA1 GLY 44 -14.594 9.592 9.592
330 H ILE 45 HN ILE 45 -12.472 12.124 12.124
331 HA ILE 45 HA ILE 45 -10.213 10.309 10.309
332 HB ILE 45 HB ILE 45 -9.071 12.345 12.345
333 1HG1 ILE 45 HG12 ILE 45 -11.901 13.443 13.443
334 2HG1 ILE 45 HG11 ILE 45 -10.739 13.362 13.362
335 1HG2 ILE 45 HG23 ILE 45 -10.664 12.356 12.356
336 2HG2 ILE 45 HG22 ILE 45 -9.728 13.785 13.785
337 3HG2 ILE 45 HG21 ILE 45 -8.919 12.235 12.235
338 1HD1 ILE 45 HD13 ILE 45 -9.190 14.859 14.859
339 2HD1 ILE 45 HD12 ILE 45 -10.203 15.093 15.093
340 3HD1 ILE 45 HD11 ILE 45 -10.766 15.632 15.632
341 H SER 46 HN SER 46 -12.039 12.007 12.007
342 HA SER 46 HA SER 46 -11.805 9.758 9.758
343 1HB SER 46 HB2 SER 46 -9.454 11.274 11.274
344 2HB SER 46 HB1 SER 46 -10.121 11.841 11.841
345 HG SER 46 HG SER 46 -9.467 10.054 10.054
346 H TYR 47 HN TYR 47 -13.664 12.175 12.175
347 HA TYR 47 HA TYR 47 -14.016 13.626 13.626
348 1HB TYR 47 HB2 TYR 47 -15.865 14.684 14.684
349 2HB TYR 47 HB1 TYR 47 -14.503 14.511 14.511
350 HD1 TYR 47 HD1 TYR 47 -17.762 13.020 13.020
351 HD2 TYR 47 HD2 TYR 47 -14.578 13.179 13.179
352 HE1 TYR 47 HE1 TYR 47 -19.133 11.712 11.712
353 HE2 TYR 47 HE2 TYR 47 -15.935 11.887 11.887
354 HH TYR 47 HH TYR 47 -18.881 11.599 11.599
355 H GLY 48 HN GLY 48 -15.447 10.767 10.767
356 1HA GLY 48 HA2 GLY 48 -16.397 9.198 9.198
357 2HA GLY 48 HA1 GLY 48 -17.546 10.539 10.539
358 H ARG 49 HN ARG 49 -16.293 8.609 8.609
359 HA ARG 49 HA ARG 49 -18.683 9.043 9.043
360 1HB ARG 49 HB2 ARG 49 -16.525 8.502 8.502
361 2HB ARG 49 HB1 ARG 49 -16.501 7.002 7.002
362 1HG ARG 49 HG2 ARG 49 -18.661 6.402 6.402
363 2HG ARG 49 HG1 ARG 49 -18.366 7.867 7.867
364 1HD ARG 49 HD2 ARG 49 -16.574 5.430 5.430
365 2HD ARG 49 HD1 ARG 49 -17.466 5.987 5.987
366 HE ARG 49 HE ARG 49 -16.088 8.167 8.167
367 1HH1 ARG 49 HH11 ARG 49 -14.799 6.143 6.143
368 2HH1 ARG 49 HH12 ARG 49 -13.214 6.036 6.036
369 1HH2 ARG 49 HH21 ARG 49 -14.113 7.560 7.560
370 2HH2 ARG 49 HH22 ARG 49 -12.826 6.843 6.843
371 H LYS 50 HN LYS 50 -20.593 8.105 8.105
372 HA LYS 50 HA LYS 50 -21.266 6.313 6.313
373 1HB LYS 50 HB2 LYS 50 -23.412 6.086 6.086
374 2HB LYS 50 HB1 LYS 50 -22.845 7.652 7.652
375 1HG LYS 50 HG2 LYS 50 -21.760 6.976 6.976
376 2HG LYS 50 HG1 LYS 50 -23.493 6.952 6.952
377 1HD LYS 50 HD2 LYS 50 -21.622 9.261 9.261
378 2HD LYS 50 HD1 LYS 50 -23.040 9.168 9.168
379 1HE LYS 50 HE2 LYS 50 -24.394 9.007 9.007
380 2HE LYS 50 HE1 LYS 50 -22.822 9.451 9.451
381 1HZ LYS 50 HZ1 LYS 50 -24.021 10.986 10.986
382 2HZ LYS 50 HZ3 LYS 50 -24.203 11.406 11.406
383 3HZ LYS 50 HZ2 LYS 50 -22.656 11.381 11.381
384 H LYS 51 HN LYS 51 -20.494 5.597 5.597
385 HA LYS 51 HA LYS 51 -19.567 2.954 2.954
386 1HB LYS 51 HB2 LYS 51 -21.667 1.789 1.789
387 2HB LYS 51 HB1 LYS 51 -21.735 2.240 2.240
388 1HG LYS 51 HG2 LYS 51 -23.022 4.255 4.255
389 2HG LYS 51 HG1 LYS 51 -22.755 4.008 4.008
390 1HD LYS 51 HD2 LYS 51 -23.852 1.689 1.689
391 2HD LYS 51 HD1 LYS 51 -24.455 2.500 2.500
392 1HE LYS 51 HE2 LYS 51 -25.052 4.398 4.398
393 2HE LYS 51 HE1 LYS 51 -25.094 3.033 3.033
394 1HZ LYS 51 HZ3 LYS 51 -26.551 1.850 1.850
395 2HZ LYS 51 HZ2 LYS 51 -26.555 3.214 3.214
396 3HZ LYS 51 HZ1 LYS 51 -27.283 3.291 3.291
397 H ARG 52 HN ARG 52 -21.649 2.678 2.678
398 HA ARG 52 HA ARG 52 -19.416 3.049 3.049
399 1HB ARG 52 HB2 ARG 52 -22.174 1.878 1.878
400 2HB ARG 52 HB1 ARG 52 -21.381 2.220 2.220
401 1HG ARG 52 HG2 ARG 52 -20.518 0.134 0.134
402 2HG ARG 52 HG1 ARG 52 -19.327 0.961 0.961
403 1HD ARG 52 HD2 ARG 52 -20.234 -0.993 -0.993
404 2HD ARG 52 HD1 ARG 52 -20.750 0.490 0.490
405 HE ARG 52 HE ARG 52 -22.696 -0.080 -0.080
406 1HH1 ARG 52 HH11 ARG 52 -21.772 -2.832 -2.832
407 2HH1 ARG 52 HH12 ARG 52 -23.055 -3.074 -3.074
408 1HH2 ARG 52 HH21 ARG 52 -24.203 0.201 0.201
409 2HH2 ARG 52 HH22 ARG 52 -24.435 -1.353 -1.353
410 H ARG 53 HN ARG 53 -22.315 4.726 4.726
411 HA ARG 53 HA ARG 53 -23.152 6.816 6.816
412 1HB ARG 53 HB2 ARG 53 -20.858 7.477 7.477
413 2HB ARG 53 HB1 ARG 53 -20.449 6.975 6.975
414 1HG ARG 53 HG2 ARG 53 -22.747 8.850 8.850
415 2HG ARG 53 HG1 ARG 53 -21.128 9.473 9.473
416 1HD ARG 53 HD2 ARG 53 -20.410 9.077 9.077
417 2HD ARG 53 HD1 ARG 53 -21.643 7.869 7.869
418 HE ARG 53 HE ARG 53 -22.118 10.811 10.811
419 1HH1 ARG 53 HH21 ARG 53 -24.588 10.387 10.387
420 2HH1 ARG 53 HH22 ARG 53 -25.521 9.632 9.632
421 1HH2 ARG 53 HH11 ARG 53 -22.756 8.608 8.608
422 2HH2 ARG 53 HH12 ARG 53 -24.484 8.629 8.629
423 H GLN 54 HN GLN 54 -22.661 4.220 4.220
424 HA GLN 54 HA GLN 54 -23.374 5.367 5.367
425 1HB GLN 54 HB2 GLN 54 -24.172 3.048 3.048
426 2HB GLN 54 HB1 GLN 54 -22.551 3.075 3.075
427 1HG GLN 54 HG2 GLN 54 -23.927 2.743 2.743
428 2HG GLN 54 HG1 GLN 54 -25.216 2.242 2.242
429 1HE2 GLN 54 HE22 GLN 54 -23.664 -0.919 -0.919
430 2HE2 GLN 54 HE21 GLN 54 -24.886 0.133 0.133
431 H ARG 55 HN ARG 55 -25.378 3.968 3.968
432 HA ARG 55 HA ARG 55 -27.689 4.144 4.144
433 1HB ARG 55 HB2 ARG 55 -27.058 6.994 6.994
434 2HB ARG 55 HB1 ARG 55 -28.187 6.469 6.469
435 1HG ARG 55 HG2 ARG 55 -26.346 5.698 5.698
436 2HG ARG 55 HG1 ARG 55 -25.156 5.832 5.832
437 1HD ARG 55 HD2 ARG 55 -25.135 8.203 8.203
438 2HD ARG 55 HD1 ARG 55 -26.741 8.298 8.298
439 HE ARG 55 HE ARG 55 -24.581 6.914 6.914
440 1HH1 ARG 55 HH21 ARG 55 -26.166 7.153 7.153
441 2HH1 ARG 55 HH22 ARG 55 -26.243 8.800 8.800
442 1HH2 ARG 55 HH11 ARG 55 -24.923 10.092 10.092
443 2HH2 ARG 55 HH12 ARG 55 -25.540 10.469 10.469
444 H ARG 56 HN ARG 56 -26.980 3.480 3.480
445 HA ARG 56 HA ARG 56 -29.572 3.713 3.713
446 1HB ARG 56 HB2 ARG 56 -29.028 5.296 5.296
447 2HB ARG 56 HB1 ARG 56 -28.565 6.063 6.063
448 1HG ARG 56 HG2 ARG 56 -26.242 4.826 4.826
449 2HG ARG 56 HG1 ARG 56 -26.856 4.921 4.921
450 1HD ARG 56 HD2 ARG 56 -27.138 7.371 7.371
451 2HD ARG 56 HD1 ARG 56 -25.467 6.900 6.900
452 HE ARG 56 HE ARG 56 -27.089 6.589 6.589
453 1HH1 ARG 56 HH11 ARG 56 -24.729 8.602 8.602
454 2HH1 ARG 56 HH12 ARG 56 -25.314 10.040 10.040
455 1HH2 ARG 56 HH21 ARG 56 -28.405 8.667 8.667
456 2HH2 ARG 56 HH22 ARG 56 -27.402 10.075 10.075
457 H ARG 57 HN ARG 57 -27.578 1.689 1.689
458 HA ARG 57 HA ARG 57 -25.885 0.830 0.830
459 1HB ARG 57 HB2 ARG 57 -25.962 -0.083 -0.083
460 2HB ARG 57 HB1 ARG 57 -27.604 -0.693 -0.693
461 1HG ARG 57 HG2 ARG 57 -26.357 -2.616 -2.616
462 2HG ARG 57 HG1 ARG 57 -26.545 -2.012 -2.012
463 1HD ARG 57 HD2 ARG 57 -24.347 -1.108 -1.108
464 2HD ARG 57 HD1 ARG 57 -24.167 -1.235 -1.235
465 HE ARG 57 HE ARG 57 -24.220 -3.536 -3.536
466 1HH1 ARG 57 HH21 ARG 57 -25.297 -4.808 -4.808
467 2HH1 ARG 57 HH22 ARG 57 -23.972 -5.127 -5.127
468 1HH2 ARG 57 HH11 ARG 57 -21.852 -2.828 -2.828
469 2HH2 ARG 57 HH12 ARG 57 -22.015 -4.002 -4.002
470 HA PRO 58 HA PRO 58 -29.613 -1.551 -1.551
471 1HB PRO 58 HB2 PRO 58 -32.103 -0.447 -0.447
472 2HB PRO 58 HB1 PRO 58 -31.421 -1.731 -1.731
473 1HG PRO 58 HG2 PRO 58 -31.488 1.226 1.226
474 2HG PRO 58 HG1 PRO 58 -31.858 -0.090 -0.090
475 1HD PRO 58 HD2 PRO 58 -29.599 1.232 1.232
476 2HD PRO 58 HD1 PRO 58 -29.583 -0.490 -0.490
477 H SER 59 HN SER 59 -29.350 1.938 1.938
478 HA SER 59 HA SER 59 -30.638 2.506 2.506
479 1HB SER 59 HB2 SER 59 -28.883 4.162 4.162
480 2HB SER 59 HB1 SER 59 -29.793 4.789 4.789
481 HG SER 59 HG SER 59 -31.525 4.750 4.750
482 H GLN 60 HN GLN 60 -29.621 2.137 2.137
483 HA GLN 60 HA GLN 60 -26.732 2.705 2.705
484 1HB GLN 60 HB2 GLN 60 -28.051 0.016 0.016
485 2HB GLN 60 HB1 GLN 60 -26.823 0.398 0.398
486 1HG GLN 60 HG2 GLN 60 -25.189 0.876 0.876
487 2HG GLN 60 HG1 GLN 60 -26.400 1.031 1.031
488 1HE2 GLN 60 HE22 GLN 60 -26.323 -2.464 -2.464
489 2HE2 GLN 60 HE21 GLN 60 -26.803 -0.882 -0.882
490 H GLY 61 HN GLY 61 -29.259 3.881 3.881
491 1HA GLY 61 HA2 GLY 61 -29.441 3.098 3.098
492 2HA GLY 61 HA1 GLY 61 -30.310 4.469 4.469
493 H GLY 62 HN GLY 62 -27.288 3.357 3.357
494 1HA GLY 62 HA2 GLY 62 -25.534 4.544 4.544
495 2HA GLY 62 HA1 GLY 62 -26.633 5.911 5.911
496 H GLN 63 HN GLN 63 -25.914 4.350 4.350
497 HA GLN 63 HA GLN 63 -25.035 6.875 6.875
498 1HB GLN 63 HB2 GLN 63 -25.258 4.038 4.038
499 2HB GLN 63 HB1 GLN 63 -24.792 5.355 5.355
500 1HG GLN 63 HG2 GLN 63 -27.287 5.804 5.804
501 2HG GLN 63 HG1 GLN 63 -27.224 4.428 4.428
502 1HE2 GLN 63 HE22 GLN 63 -26.208 7.696 7.696
503 2HE2 GLN 63 HE21 GLN 63 -25.247 7.170 7.170
504 H THR 64 HN THR 64 -23.466 3.812 3.812
505 HA THR 64 HA THR 64 -21.172 3.198 3.198
506 HB THR 64 HB THR 64 -21.093 6.169 6.169
507 HG1 THR 64 HG1 THR 64 -20.790 3.979 3.979
508 1HG2 THR 64 HG23 THR 64 -18.933 4.242 4.242
509 2HG2 THR 64 HG22 THR 64 -18.855 5.046 5.046
510 3HG2 THR 64 HG21 THR 64 -18.861 6.001 6.001
511 H HIS 65 HN HIS 65 -22.180 3.277 3.277
512 HA HIS 65 HA HIS 65 -21.142 5.145 5.145
513 1HB HIS 65 HB2 HIS 65 -22.552 2.614 2.614
514 2HB HIS 65 HB1 HIS 65 -21.551 2.733 2.733
515 HD1 HIS 65 HD1 HIS 65 -24.819 3.009 3.009
516 HD2 HIS 65 HD2 HIS 65 -22.481 5.800 5.800
517 HE1 HIS 65 HE1 HIS 65 -26.417 4.699 4.699
518 H GLN 66 HN GLN 66 -19.646 4.248 4.248
519 HA GLN 66 HA GLN 66 -17.301 2.852 2.852
520 1HB GLN 66 HB2 GLN 66 -17.548 5.196 5.196
521 2HB GLN 66 HB1 GLN 66 -15.976 4.431 4.431
522 1HG GLN 66 HG2 GLN 66 -15.779 5.659 5.659
523 2HG GLN 66 HG1 GLN 66 -17.196 4.864 4.864
524 1HE2 GLN 66 HE22 GLN 66 -19.428 7.589 7.589
525 2HE2 GLN 66 HE21 GLN 66 -19.379 5.918 5.918
526 H ASP 67 HN ASP 67 -18.641 3.838 3.838
527 HA ASP 67 HA ASP 67 -17.293 1.662 1.662
528 1HB ASP 67 HB2 ASP 67 -17.583 3.767 3.767
529 2HB ASP 67 HB1 ASP 67 -19.321 3.782 3.782
530 HA PRO 68 HA PRO 68 -21.759 -0.007 -0.007
531 1HB PRO 68 HB2 PRO 68 -23.675 0.901 0.901
532 2HB PRO 68 HB1 PRO 68 -23.339 1.626 1.626
533 1HG PRO 68 HG2 PRO 68 -22.598 2.506 2.506
534 2HG PRO 68 HG1 PRO 68 -22.925 3.502 3.502
535 1HD PRO 68 HD2 PRO 68 -20.433 2.972 2.972
536 2HD PRO 68 HD1 PRO 68 -20.806 3.539 3.539
537 H ILE 69 HN ILE 69 -20.907 0.690 0.690
538 HA ILE 69 HA ILE 69 -21.394 -2.236 -2.236
539 HB ILE 69 HB ILE 69 -22.789 -1.802 -1.802
540 1HG1 ILE 69 HG12 ILE 69 -21.398 -0.824 -0.824
541 2HG1 ILE 69 HG11 ILE 69 -22.649 0.396 0.396
542 1HG2 ILE 69 HG22 ILE 69 -23.691 -0.509 -0.509
543 2HG2 ILE 69 HG21 ILE 69 -22.904 0.937 0.937
544 3HG2 ILE 69 HG23 ILE 69 -24.185 0.151 0.151
545 1HD1 ILE 69 HD13 ILE 69 -20.951 1.240 1.240
546 2HD1 ILE 69 HD12 ILE 69 -19.795 0.581 0.581
547 3HD1 ILE 69 HD11 ILE 69 -20.952 1.803 1.803
548 HA PRO 70 HA PRO 70 -17.107 -0.701 -0.701
549 1HB PRO 70 HB2 PRO 70 -15.705 -2.182 -2.182
550 2HB PRO 70 HB1 PRO 70 -16.016 -0.431 -0.431
551 1HG PRO 70 HG2 PRO 70 -17.372 -2.912 -2.912
552 2HG PRO 70 HG1 PRO 70 -17.033 -1.397 -1.397
553 1HD PRO 70 HD2 PRO 70 -19.482 -1.985 -1.985
554 2HD PRO 70 HD1 PRO 70 -18.858 -0.306 -0.306
555 H LYS 71 HN LYS 71 -18.788 -3.613 -3.613
556 HA LYS 71 HA LYS 71 -16.949 -5.613 -5.613
557 1HB LYS 71 HB2 LYS 71 -19.150 -6.826 -6.826
558 2HB LYS 71 HB1 LYS 71 -18.940 -6.267 -6.267
559 1HG LYS 71 HG2 LYS 71 -20.210 -4.134 -4.134
560 2HG LYS 71 HG1 LYS 71 -20.952 -5.644 -5.644
561 1HD LYS 71 HD2 LYS 71 -22.123 -4.668 -4.668
562 2HD LYS 71 HD1 LYS 71 -21.458 -6.254 -6.254
563 1HE LYS 71 HE2 LYS 71 -19.571 -5.169 -5.169
564 2HE LYS 71 HE1 LYS 71 -20.151 -3.579 -3.579
565 1HZ LYS 71 HZ3 LYS 71 -21.745 -5.583 -5.583
566 2HZ LYS 71 HZ2 LYS 71 -20.968 -4.235 -4.235
567 3HZ LYS 71 HZ1 LYS 71 -22.244 -4.015 -4.015
568 H GLN 72 HN GLN 72 -19.018 -3.423 -3.423
569 HA GLN 72 HA GLN 72 -17.504 -4.075 -4.075
570 1HB GLN 72 HB2 GLN 72 -20.005 -4.652 -4.652
571 2HB GLN 72 HB1 GLN 72 -18.859 -5.872 -5.872
572 1HG GLN 72 HG2 GLN 72 -20.794 -6.430 -6.430
573 2HG GLN 72 HG1 GLN 72 -20.099 -5.469 -5.469
574 1HE2 GLN 72 HE22 GLN 72 -22.583 -2.866 -2.866
575 2HE2 GLN 72 HE21 GLN 72 -21.048 -3.197 -3.197
576 HA PRO 73 HA PRO 73 -18.893 -0.163 -0.163
577 1HB PRO 73 HB2 PRO 73 -20.140 -0.593 -0.593
578 2HB PRO 73 HB1 PRO 73 -18.361 -0.669 -0.669
579 1HG PRO 73 HG2 PRO 73 -20.303 -2.975 -2.975
580 2HG PRO 73 HG1 PRO 73 -18.769 -2.805 -2.805
581 1HD PRO 73 HD2 PRO 73 -18.889 -4.196 -4.196
582 2HD PRO 73 HD1 PRO 73 -17.517 -3.106 -3.106
583 H SER 74 HN SER 74 -21.233 -2.743 -2.743
584 HA SER 74 HA SER 74 -23.345 -2.825 -2.825
585 1HB SER 74 HB2 SER 74 -24.017 -1.127 -1.127
586 2HB SER 74 HB1 SER 74 -22.218 -0.948 -0.948
587 HG SER 74 HG SER 74 -23.951 0.894 0.894
588 H SER 75 HN SER 75 -23.666 0.419 0.419
589 HA SER 75 HA SER 75 -26.061 -0.607 -0.607
590 1HB SER 75 HB2 SER 75 -26.766 1.661 1.661
591 2HB SER 75 HB1 SER 75 -25.675 1.300 1.300
592 HG SER 75 HG SER 75 -24.511 2.881 2.881
593 H GLN 76 HN GLN 76 -22.808 -0.161 -0.161
594 HA GLN 76 HA GLN 76 -23.137 0.810 0.810
595 1HB GLN 76 HB2 GLN 76 -20.948 -0.368 -0.368
596 2HB GLN 76 HB1 GLN 76 -20.658 0.083 0.083
597 1HG GLN 76 HG2 GLN 76 -20.099 2.120 2.120
598 2HG GLN 76 HG1 GLN 76 -21.850 2.359 2.359
599 1HE2 GLN 76 HE22 GLN 76 -22.150 2.206 2.206
600 2HE2 GLN 76 HE21 GLN 76 -23.017 2.002 2.002
601 HA PRO 77 HA PRO 77 -22.446 -3.872 -3.872
602 1HB PRO 77 HB2 PRO 77 -23.128 -5.650 -5.650
603 2HB PRO 77 HB1 PRO 77 -21.489 -4.981 -4.981
604 1HG PRO 77 HG2 PRO 77 -23.644 -4.254 -4.254
605 2HG PRO 77 HG1 PRO 77 -21.892 -4.313 -4.313
606 1HD PRO 77 HD2 PRO 77 -23.458 -2.126 -2.126
607 2HD PRO 77 HD1 PRO 77 -21.690 -2.100 -2.100
608 H ARG 78 HN ARG 78 -25.008 -2.147 -2.147
609 HA ARG 78 HA ARG 78 -27.041 -4.133 -4.133
610 1HB ARG 78 HB2 ARG 78 -27.372 -1.800 -1.800
611 2HB ARG 78 HB1 ARG 78 -28.554 -3.118 -3.118
612 1HG ARG 78 HG2 ARG 78 -26.755 -4.674 -4.674
613 2HG ARG 78 HG1 ARG 78 -25.828 -3.215 -3.215
614 1HD ARG 78 HD2 ARG 78 -27.475 -2.383 -2.383
615 2HD ARG 78 HD1 ARG 78 -28.644 -3.634 -3.634
616 HE ARG 78 HE ARG 78 -26.310 -5.006 -5.006
617 1HH1 ARG 78 HH21 ARG 78 -25.788 -3.139 -3.139
618 2HH1 ARG 78 HH22 ARG 78 -26.860 -3.605 -3.605
619 1HH2 ARG 78 HH11 ARG 78 -28.923 -5.493 -5.493
620 2HH2 ARG 78 HH12 ARG 78 -28.639 -4.942 -4.942
621 H GLY 79 HN GLY 79 -26.250 -0.658 -0.658
622 1HA GLY 79 HA2 GLY 79 -26.091 0.579 0.579
623 2HA GLY 79 HA1 GLY 79 -27.465 -0.117 -0.117
624 H ASP 80 HN ASP 80 -26.678 1.234 1.234
625 HA ASP 80 HA ASP 80 -29.031 2.991 2.991
626 1HB ASP 80 HB2 ASP 80 -26.635 2.335 2.335
627 2HB ASP 80 HB1 ASP 80 -27.580 3.710 3.710
628 HA PRO 81 HA PRO 81 -27.139 6.699 6.699
629 1HB PRO 81 HB2 PRO 81 -27.327 8.576 8.576
630 2HB PRO 81 HB1 PRO 81 -28.707 8.031 8.031
631 1HG PRO 81 HG2 PRO 81 -27.825 7.132 7.132
632 2HG PRO 81 HG1 PRO 81 -29.448 7.526 7.526
633 1HD PRO 81 HD2 PRO 81 -28.707 5.041 5.041
634 2HD PRO 81 HD1 PRO 81 -29.705 5.512 5.512
635 H THR 82 HN THR 82 -25.040 5.350 5.350
636 HA THR 82 HA THR 82 -23.102 6.723 6.723
637 HB THR 82 HB THR 82 -21.979 4.517 4.517
638 HG1 THR 82 HG1 THR 82 -22.559 3.359 3.359
639 1HG2 THR 82 HG22 THR 82 -24.278 5.409 5.409
640 2HG2 THR 82 HG21 THR 82 -24.679 3.753 3.753
641 3HG2 THR 82 HG23 THR 82 -23.258 4.074 4.074
642 H GLY 83 HN GLY 83 -20.992 4.973 4.973
643 1HA GLY 83 HA2 GLY 83 -20.684 6.484 6.484
644 2HA GLY 83 HA1 GLY 83 -19.342 5.873 5.873
645 HA PRO 84 HA PRO 84 -19.795 2.014 2.014
646 1HB PRO 84 HB2 PRO 84 -18.840 0.240 0.240
647 2HB PRO 84 HB1 PRO 84 -17.804 1.441 1.441
648 1HG PRO 84 HG2 PRO 84 -19.059 1.417 1.417
649 2HG PRO 84 HG1 PRO 84 -17.431 2.085 2.085
650 1HD PRO 84 HD2 PRO 84 -19.979 3.448 3.448
651 2HD PRO 84 HD1 PRO 84 -18.415 4.070 4.070
652 H LYS 85 HN LYS 85 -22.217 2.802 2.802
653 HA LYS 85 HA LYS 85 -23.532 1.040 1.040
654 1HB LYS 85 HB2 LYS 85 -25.605 2.236 2.236
655 2HB LYS 85 HB1 LYS 85 -24.587 3.039 3.039
656 1HG LYS 85 HG2 LYS 85 -23.491 4.263 4.263
657 2HG LYS 85 HG1 LYS 85 -23.844 3.137 3.137
658 1HD LYS 85 HD2 LYS 85 -26.386 3.914 3.914
659 2HD LYS 85 HD1 LYS 85 -25.444 5.396 5.396
660 1HE LYS 85 HE2 LYS 85 -24.626 5.098 5.098
661 2HE LYS 85 HE1 LYS 85 -25.613 3.627 3.627
662 1HZ LYS 85 HZ3 LYS 85 -26.687 6.296 6.296
663 2HZ LYS 85 HZ2 LYS 85 -26.758 5.705 5.705
664 3HZ LYS 85 HZ1 LYS 85 -27.585 4.898 4.898
665 H GLU 86 HN GLU 86 -22.338 -0.632 -0.632
666 HA GLU 86 HA GLU 86 -23.858 -1.539 -1.539
667 1HB GLU 86 HB2 GLU 86 -22.021 -3.381 -3.381
668 2HB GLU 86 HB1 GLU 86 -21.500 -1.686 -1.686
669 1HG GLU 86 HG2 GLU 86 -20.494 -1.467 -1.467
670 2HG GLU 86 HG1 GLU 86 -21.668 -2.434 -2.434
Start of MODEL 7
1 1H LEU 1 HT2 LEU 1 -24.173 21.194 21.194
2 2H LEU 1 HT1 LEU 1 -23.097 21.795 21.795
3 3H LEU 1 HT3 LEU 1 -24.649 21.290 21.290
4 HA LEU 1 HA LEU 1 -23.130 19.576 19.576
5 1HB LEU 1 HB2 LEU 1 -21.528 18.709 18.709
6 2HB LEU 1 HB1 LEU 1 -21.399 20.472 20.472
7 HG LEU 1 HG LEU 1 -23.360 19.848 19.848
8 1HD1 LEU 1 HD13 LEU 1 -22.196 17.514 17.514
9 2HD1 LEU 1 HD12 LEU 1 -20.914 18.291 18.291
10 3HD1 LEU 1 HD11 LEU 1 -22.545 18.195 18.195
11 1HD2 LEU 1 HD21 LEU 1 -21.232 21.516 21.516
12 2HD2 LEU 1 HD23 LEU 1 -22.122 21.237 21.237
13 3HD2 LEU 1 HD22 LEU 1 -20.624 20.360 20.360
14 H ASP 2 HN ASP 2 -23.150 17.176 17.176
15 HA ASP 2 HA ASP 2 -24.570 15.360 15.360
16 1HB ASP 2 HB2 ASP 2 -23.963 16.716 16.716
17 2HB ASP 2 HB1 ASP 2 -25.708 17.053 17.053
18 HA PRO 3 HA PRO 3 -28.442 17.421 17.421
19 1HB PRO 3 HB2 PRO 3 -28.098 17.416 17.416
20 2HB PRO 3 HB1 PRO 3 -27.497 18.687 18.687
21 1HG PRO 3 HG2 PRO 3 -25.974 16.664 16.664
22 2HG PRO 3 HG1 PRO 3 -25.436 18.180 18.180
23 1HD PRO 3 HD2 PRO 3 -25.223 15.507 15.507
24 2HD PRO 3 HD1 PRO 3 -24.506 17.009 17.009
25 H VAL 4 HN VAL 4 -27.820 15.536 15.536
26 HA VAL 4 HA VAL 4 -29.896 13.583 13.583
27 HB VAL 4 HB VAL 4 -27.816 14.088 14.088
28 1HG1 VAL 4 HG11 VAL 4 -29.615 11.675 11.675
29 2HG1 VAL 4 HG13 VAL 4 -29.220 12.313 12.313
30 3HG1 VAL 4 HG12 VAL 4 -27.934 11.746 11.746
31 1HG2 VAL 4 HG22 VAL 4 -30.294 15.156 15.156
32 2HG2 VAL 4 HG21 VAL 4 -29.403 15.153 15.153
33 3HG2 VAL 4 HG23 VAL 4 -30.608 13.906 13.906
34 H ASP 5 HN ASP 5 -26.450 13.255 13.255
35 HA ASP 5 HA ASP 5 -25.921 11.460 11.460
36 1HB ASP 5 HB2 ASP 5 -26.747 10.359 10.359
37 2HB ASP 5 HB1 ASP 5 -24.983 10.147 10.147
38 HA PRO 6 HA PRO 6 -22.035 13.107 13.107
39 1HB PRO 6 HB2 PRO 6 -21.919 13.340 13.340
40 2HB PRO 6 HB1 PRO 6 -21.643 11.784 11.784
41 1HG PRO 6 HG2 PRO 6 -23.840 12.641 12.641
42 2HG PRO 6 HG1 PRO 6 -23.489 11.012 11.012
43 1HD PRO 6 HD2 PRO 6 -25.276 13.092 13.092
44 2HD PRO 6 HD1 PRO 6 -25.357 11.334 11.334
45 H ASN 7 HN ASN 7 -21.374 15.136 15.136
46 HA ASN 7 HA ASN 7 -23.025 17.347 17.347
47 1HB ASN 7 HB2 ASN 7 -20.633 17.054 17.054
48 2HB ASN 7 HB1 ASN 7 -21.403 18.626 18.626
49 1HD2 ASN 7 HD22 ASN 7 -19.088 16.953 16.953
50 2HD2 ASN 7 HD21 ASN 7 -19.416 16.098 16.098
51 H ILE 8 HN ILE 8 -22.253 16.165 16.165
52 HA ILE 8 HA ILE 8 -24.978 17.075 17.075
53 HB ILE 8 HB ILE 8 -24.055 18.008 18.008
54 1HG1 ILE 8 HG12 ILE 8 -22.322 16.157 16.157
55 2HG1 ILE 8 HG11 ILE 8 -21.806 17.783 17.783
56 1HG2 ILE 8 HG23 ILE 8 -22.865 18.793 18.793
57 2HG2 ILE 8 HG22 ILE 8 -21.987 19.365 19.365
58 3HG2 ILE 8 HG21 ILE 8 -23.690 19.772 19.772
59 1HD1 ILE 8 HD13 ILE 8 -20.983 17.799 17.799
60 2HD1 ILE 8 HD12 ILE 8 -20.975 16.052 16.052
61 3HD1 ILE 8 HD11 ILE 8 -19.999 17.082 17.082
62 H GLU 9 HN GLU 9 -23.337 14.388 14.388
63 HA GLU 9 HA GLU 9 -23.379 12.182 12.182
64 1HB GLU 9 HB2 GLU 9 -25.815 13.436 13.436
65 2HB GLU 9 HB1 GLU 9 -25.408 11.728 11.728
66 1HG GLU 9 HG2 GLU 9 -25.500 11.506 11.506
67 2HG GLU 9 HG1 GLU 9 -25.823 13.231 13.231
68 HA PRO 10 HA PRO 10 -21.532 13.602 13.602
69 1HB PRO 10 HB2 PRO 10 -18.953 13.603 13.603
70 2HB PRO 10 HB1 PRO 10 -20.006 15.100 15.100
71 1HG PRO 10 HG2 PRO 10 -19.066 13.182 13.182
72 2HG PRO 10 HG1 PRO 10 -19.304 14.950 14.950
73 1HD PRO 10 HD2 PRO 10 -20.911 12.857 12.857
74 2HD PRO 10 HD1 PRO 10 -21.505 14.500 14.500
75 H TRP 11 HN TRP 11 -22.204 10.950 10.950
76 HA TRP 11 HA TRP 11 -19.711 9.429 9.429
77 1HB TRP 11 HB2 TRP 11 -22.135 8.633 8.633
78 2HB TRP 11 HB1 TRP 11 -20.623 7.680 7.680
79 HD1 TRP 11 HD1 TRP 11 -22.398 10.007 10.007
80 HE1 TRP 11 HE1 TRP 11 -20.828 11.265 11.265
81 HE3 TRP 11 HE3 TRP 11 -17.900 8.960 8.960
82 HZ2 TRP 11 HZ2 TRP 11 -18.032 11.765 11.765
83 HZ3 TRP 11 HZ3 TRP 11 -15.809 9.843 9.843
84 HH2 TRP 11 HH2 TRP 11 -15.871 11.240 11.240
85 H ASN 12 HN ASN 12 -21.763 10.598 10.598
86 HA ASN 12 HA ASN 12 -22.920 8.122 8.122
87 1HB ASN 12 HB2 ASN 12 -24.326 9.926 9.926
88 2HB ASN 12 HB1 ASN 12 -24.679 9.512 9.512
89 1HD2 ASN 12 HD22 ASN 12 -23.483 12.553 12.553
90 2HD2 ASN 12 HD21 ASN 12 -23.692 10.900 10.900
91 H HIS 13 HN HIS 13 -20.941 7.588 7.588
92 HA HIS 13 HA HIS 13 -19.743 9.555 9.555
93 1HB HIS 13 HB2 HIS 13 -19.002 6.902 6.902
94 2HB HIS 13 HB1 HIS 13 -17.926 7.737 7.737
95 HD1 HIS 13 HD1 HIS 13 -16.136 7.921 7.921
96 HD2 HIS 13 HD2 HIS 13 -19.699 9.952 9.952
97 HE1 HIS 13 HE1 HIS 13 -15.692 9.443 9.443
98 HA PRO 14 HA PRO 14 -21.545 7.363 7.363
99 1HB PRO 14 HB2 PRO 14 -19.972 8.759 8.759
100 2HB PRO 14 HB1 PRO 14 -21.489 9.393 9.393
101 1HG PRO 14 HG2 PRO 14 -18.619 9.767 9.767
102 2HG PRO 14 HG1 PRO 14 -19.903 10.989 10.989
103 1HD PRO 14 HD2 PRO 14 -19.040 10.055 10.055
104 2HD PRO 14 HD1 PRO 14 -20.722 10.512 10.512
105 H GLY 15 HN GLY 15 -18.267 7.541 7.541
106 1HA GLY 15 HA2 GLY 15 -16.571 6.116 6.116
107 2HA GLY 15 HA1 GLY 15 -17.535 4.931 4.931
108 H SER 16 HN SER 16 -17.173 8.334 8.334
109 HA SER 16 HA SER 16 -15.005 7.938 7.938
110 1HB SER 16 HB2 SER 16 -17.118 7.194 7.194
111 2HB SER 16 HB1 SER 16 -17.838 8.726 8.726
112 HG SER 16 HG SER 16 -16.051 8.034 8.034
113 H GLN 17 HN GLN 17 -15.980 9.698 9.698
114 HA GLN 17 HA GLN 17 -14.919 12.242 12.242
115 1HB GLN 17 HB2 GLN 17 -17.727 11.741 11.741
116 2HB GLN 17 HB1 GLN 17 -16.893 13.313 13.313
117 1HG GLN 17 HG2 GLN 17 -17.268 13.924 13.924
118 2HG GLN 17 HG1 GLN 17 -16.591 12.466 12.466
119 1HE2 GLN 17 HE22 GLN 17 -19.818 10.975 10.975
120 2HE2 GLN 17 HE21 GLN 17 -18.136 10.701 10.701
121 HA PRO 18 HA PRO 18 -14.750 12.591 12.591
122 1HB PRO 18 HB2 PRO 18 -16.025 10.694 10.694
123 2HB PRO 18 HB1 PRO 18 -16.795 12.219 12.219
124 1HG PRO 18 HG2 PRO 18 -16.942 9.509 9.509
125 2HG PRO 18 HG1 PRO 18 -18.271 10.640 10.640
126 1HD PRO 18 HD2 PRO 18 -17.249 10.328 10.328
127 2HD PRO 18 HD1 PRO 18 -17.786 11.963 11.963
128 H LYS 19 HN LYS 19 -14.710 9.548 9.548
129 HA LYS 19 HA LYS 19 -12.566 8.430 8.430
130 1HB LYS 19 HB2 LYS 19 -13.840 7.292 7.292
131 2HB LYS 19 HB1 LYS 19 -13.026 6.386 6.386
132 1HG LYS 19 HG2 LYS 19 -15.030 7.605 7.605
133 2HG LYS 19 HG1 LYS 19 -15.727 7.513 7.513
134 1HD LYS 19 HD2 LYS 19 -15.783 5.139 5.139
135 2HD LYS 19 HD1 LYS 19 -14.341 5.091 5.091
136 1HE LYS 19 HE2 LYS 19 -15.660 5.919 5.919
137 2HE LYS 19 HE1 LYS 19 -17.118 5.889 5.889
138 1HZ LYS 19 HZ1 LYS 19 -16.700 3.549 3.549
139 2HZ LYS 19 HZ3 LYS 19 -15.306 3.581 3.581
140 3HZ LYS 19 HZ2 LYS 19 -16.834 3.804 3.804
141 H THR 20 HN THR 20 -12.985 10.200 10.200
142 HA THR 20 HA THR 20 -10.093 9.966 9.966
143 HB THR 20 HB THR 20 -11.082 8.072 8.072
144 HG1 THR 20 HG1 THR 20 -10.400 10.127 10.127
145 1HG2 THR 20 HG22 THR 20 -13.352 9.200 9.200
146 2HG2 THR 20 HG21 THR 20 -12.669 10.050 10.050
147 3HG2 THR 20 HG23 THR 20 -12.785 8.290 8.290
148 H ALA 21 HN ALA 21 -13.154 11.437 11.437
149 HA ALA 21 HA ALA 21 -11.589 13.696 13.696
150 1HB ALA 21 HB2 ALA 21 -13.706 12.303 12.303
151 2HB ALA 21 HB1 ALA 21 -14.557 13.614 13.614
152 3HB ALA 21 HB3 ALA 21 -13.397 13.976 13.976
153 H SER 22 HN SER 22 -11.969 13.283 13.283
154 HA SER 22 HA SER 22 -12.226 15.927 15.927
155 1HB SER 22 HB2 SER 22 -14.674 15.594 15.594
156 2HB SER 22 HB1 SER 22 -14.715 14.316 14.316
157 HG SER 22 HG SER 22 -15.546 16.181 16.181
158 H ASN 23 HN ASN 23 -10.579 13.851 13.851
159 HA ASN 23 HA ASN 23 -11.406 12.226 12.226
160 1HB ASN 23 HB2 ASN 23 -9.310 12.326 12.326
161 2HB ASN 23 HB1 ASN 23 -8.512 12.857 12.857
162 1HD2 ASN 23 HD22 ASN 23 -10.424 9.184 9.184
163 2HD2 ASN 23 HD21 ASN 23 -11.173 10.535 10.535
164 H ARG 24 HN ARG 24 -12.023 13.107 13.107
165 HA ARG 24 HA ARG 24 -11.536 15.650 15.650
166 1HB ARG 24 HB2 ARG 24 -12.380 12.959 12.959
167 2HB ARG 24 HB1 ARG 24 -11.887 14.068 14.068
168 1HG ARG 24 HG2 ARG 24 -14.189 14.497 14.497
169 2HG ARG 24 HG1 ARG 24 -13.456 15.771 15.771
170 1HD ARG 24 HD2 ARG 24 -15.160 14.848 14.848
171 2HD ARG 24 HD1 ARG 24 -13.586 14.153 14.153
172 HE ARG 24 HE ARG 24 -14.265 12.045 12.045
173 1HH1 ARG 24 HH21 ARG 24 -14.786 11.750 11.750
174 2HH1 ARG 24 HH22 ARG 24 -16.491 11.901 11.901
175 1HH2 ARG 24 HH11 ARG 24 -17.103 13.454 13.454
176 2HH2 ARG 24 HH12 ARG 24 -17.806 12.868 12.868
177 H ALA 25 HN ALA 25 -9.990 12.643 12.643
178 HA ALA 25 HA ALA 25 -7.702 12.223 12.223
179 1HB ALA 25 HB3 ALA 25 -7.371 14.338 14.338
180 2HB ALA 25 HB2 ALA 25 -7.126 15.171 15.171
181 3HB ALA 25 HB1 ALA 25 -6.075 13.830 13.830
182 H HIS 26 HN HIS 26 -9.822 12.519 12.519
183 HA HIS 26 HA HIS 26 -8.301 12.919 12.919
184 1HB HIS 26 HB2 HIS 26 -10.062 14.720 14.720
185 2HB HIS 26 HB1 HIS 26 -8.663 15.152 15.152
186 HD1 HIS 26 HD1 HIS 26 -12.399 15.033 15.033
187 HD2 HIS 26 HD2 HIS 26 -9.282 15.769 15.769
188 HE1 HIS 26 HE1 HIS 26 -13.442 16.083 16.083
189 H ALA 27 HN ALA 27 -11.700 12.955 12.955
190 HA ALA 27 HA ALA 27 -12.619 11.229 11.229
191 1HB ALA 27 HB3 ALA 27 -13.684 12.747 12.747
192 2HB ALA 27 HB2 ALA 27 -14.516 11.216 11.216
193 3HB ALA 27 HB1 ALA 27 -14.439 12.407 12.407
194 H LYS 28 HN LYS 28 -11.330 10.903 10.903
195 HA LYS 28 HA LYS 28 -12.177 8.221 8.221
196 1HB LYS 28 HB2 LYS 28 -11.542 9.745 9.745
197 2HB LYS 28 HB1 LYS 28 -9.955 10.073 10.073
198 1HG LYS 28 HG2 LYS 28 -9.521 7.465 7.465
199 2HG LYS 28 HG1 LYS 28 -10.865 7.611 7.611
200 1HD LYS 28 HD2 LYS 28 -8.786 7.910 7.910
201 2HD LYS 28 HD1 LYS 28 -9.656 9.440 9.440
202 1HE LYS 28 HE2 LYS 28 -8.217 10.126 10.126
203 2HE LYS 28 HE1 LYS 28 -7.305 8.614 8.614
204 1HZ LYS 28 HZ3 LYS 28 -6.871 9.280 9.280
205 2HZ LYS 28 HZ2 LYS 28 -7.720 10.730 10.730
206 3HZ LYS 28 HZ1 LYS 28 -6.272 10.433 10.433
207 H LYS 29 HN LYS 29 -9.386 9.642 9.642
208 HA LYS 29 HA LYS 29 -7.740 7.366 7.366
209 1HB LYS 29 HB2 LYS 29 -8.294 9.941 9.941
210 2HB LYS 29 HB1 LYS 29 -7.325 8.733 8.733
211 1HG LYS 29 HG2 LYS 29 -5.775 10.084 10.084
212 2HG LYS 29 HG1 LYS 29 -5.902 8.600 8.600
213 1HD LYS 29 HD2 LYS 29 -7.149 9.608 9.608
214 2HD LYS 29 HD1 LYS 29 -7.738 10.891 10.891
215 1HE LYS 29 HE2 LYS 29 -6.176 12.059 12.059
216 2HE LYS 29 HE1 LYS 29 -5.236 11.575 11.575
217 1HZ LYS 29 HZ3 LYS 29 -5.469 9.947 9.947
218 2HZ LYS 29 HZ2 LYS 29 -4.155 10.977 10.977
219 3HZ LYS 29 HZ1 LYS 29 -4.438 9.634 9.634
220 H SER 30 HN SER 30 -10.300 8.625 8.625
221 HA SER 30 HA SER 30 -11.395 7.545 7.545
222 1HB SER 30 HB2 SER 30 -12.320 6.805 6.805
223 2HB SER 30 HB1 SER 30 -11.327 5.327 5.327
224 HG SER 30 HG SER 30 -13.145 4.674 4.674
225 H ALA 31 HN ALA 31 -8.363 7.279 7.279
226 HA ALA 31 HA ALA 31 -7.812 4.616 4.616
227 1HB ALA 31 HB3 ALA 31 -6.117 7.038 7.038
228 2HB ALA 31 HB2 ALA 31 -5.461 5.522 5.522
229 3HB ALA 31 HB1 ALA 31 -6.279 5.559 5.559
230 H TYR 32 HN TYR 32 -9.339 7.064 7.064
231 HA TYR 32 HA TYR 32 -7.831 7.203 7.203
232 1HB TYR 32 HB2 TYR 32 -9.457 9.291 9.291
233 2HB TYR 32 HB1 TYR 32 -8.006 9.456 9.456
234 HD1 TYR 32 HD1 TYR 32 -8.513 9.337 9.337
235 HD2 TYR 32 HD2 TYR 32 -11.628 9.275 9.275
236 HE1 TYR 32 HE1 TYR 32 -10.183 9.866 9.866
237 HE2 TYR 32 HE2 TYR 32 -13.301 9.797 9.797
238 HH TYR 32 HH TYR 32 -13.248 9.346 9.346
239 H HIS 33 HN HIS 33 -9.083 4.955 4.955
240 HA HIS 33 HA HIS 33 -10.684 3.630 3.630
241 1HB HIS 33 HB2 HIS 33 -11.691 6.364 6.364
242 2HB HIS 33 HB1 HIS 33 -12.239 4.764 4.764
243 HD1 HIS 33 HD1 HIS 33 -10.835 3.314 3.314
244 HD2 HIS 33 HD2 HIS 33 -8.975 6.899 6.899
245 HE1 HIS 33 HE1 HIS 33 -8.797 3.521 3.521
246 H SER 34 HN SER 34 -11.242 5.777 5.777
247 HA SER 34 HA SER 34 -12.834 5.955 5.955
248 1HB SER 34 HB2 SER 34 -13.910 3.362 3.362
249 2HB SER 34 HB1 SER 34 -13.805 3.968 3.968
250 HG SER 34 HG SER 34 -11.976 2.526 2.526
251 H GLN 35 HN GLN 35 -13.901 7.736 7.736
252 HA GLN 35 HA GLN 35 -16.442 7.009 7.009
253 1HB GLN 35 HB2 GLN 35 -14.871 9.599 9.599
254 2HB GLN 35 HB1 GLN 35 -16.329 9.362 9.362
255 1HG GLN 35 HG2 GLN 35 -13.609 8.083 8.083
256 2HG GLN 35 HG1 GLN 35 -14.494 9.087 9.087
257 1HE2 GLN 35 HE22 GLN 35 -14.967 5.146 5.146
258 2HE2 GLN 35 HE21 GLN 35 -13.687 5.935 5.935
259 H VAL 36 HN VAL 36 -15.162 8.358 8.358
260 HA VAL 36 HA VAL 36 -16.212 9.139 9.139
261 HB VAL 36 HB VAL 36 -18.673 7.938 7.938
262 1HG1 VAL 36 HG11 VAL 36 -18.003 8.349 8.349
263 2HG1 VAL 36 HG13 VAL 36 -19.089 7.065 7.065
264 3HG1 VAL 36 HG12 VAL 36 -19.481 8.750 8.750
265 1HG2 VAL 36 HG22 VAL 36 -16.309 6.611 6.611
266 2HG2 VAL 36 HG21 VAL 36 -17.214 6.140 6.140
267 3HG2 VAL 36 HG23 VAL 36 -17.913 5.897 5.897
268 H ALA 37 HN ALA 37 -15.776 11.215 11.215
269 HA ALA 37 HA ALA 37 -16.641 13.218 13.218
270 1HB ALA 37 HB3 ALA 37 -16.381 13.159 13.159
271 2HB ALA 37 HB2 ALA 37 -18.125 13.413 13.413
272 3HB ALA 37 HB1 ALA 37 -17.040 14.578 14.578
273 H PHE 38 HN PHE 38 -18.126 11.775 11.775
274 HA PHE 38 HA PHE 38 -20.964 11.800 11.800
275 1HB PHE 38 HB2 PHE 38 -21.171 10.492 10.492
276 2HB PHE 38 HB1 PHE 38 -19.937 9.897 9.897
277 HD1 PHE 38 HD1 PHE 38 -18.563 12.800 12.800
278 HD2 PHE 38 HD2 PHE 38 -19.626 8.791 8.791
279 HE1 PHE 38 HE1 PHE 38 -16.913 12.873 12.873
280 HE2 PHE 38 HE2 PHE 38 -17.968 8.871 8.871
281 HZ PHE 38 HZ PHE 38 -16.619 10.915 10.915
282 H ILE 39 HN ILE 39 -21.389 12.180 12.180
283 HA ILE 39 HA ILE 39 -22.553 14.769 14.769
284 HB ILE 39 HB ILE 39 -22.789 14.506 14.506
285 1HG1 ILE 39 HG12 ILE 39 -21.537 11.806 11.806
286 2HG1 ILE 39 HG11 ILE 39 -20.392 13.091 13.091
287 1HG2 ILE 39 HG22 ILE 39 -24.299 13.352 13.352
288 2HG2 ILE 39 HG21 ILE 39 -23.270 11.925 11.925
289 3HG2 ILE 39 HG23 ILE 39 -24.150 12.499 12.499
290 1HD1 ILE 39 HD12 ILE 39 -22.583 13.000 13.000
291 2HD1 ILE 39 HD11 ILE 39 -20.908 12.516 12.516
292 3HD1 ILE 39 HD13 ILE 39 -21.291 14.195 14.195
293 H THR 40 HN THR 40 -19.331 13.844 13.844
294 HA THR 40 HA THR 40 -18.813 16.722 16.722
295 HB THR 40 HB THR 40 -17.300 14.205 14.205
296 HG1 THR 40 HG1 THR 40 -19.265 15.723 15.723
297 1HG2 THR 40 HG21 THR 40 -16.576 16.909 16.909
298 2HG2 THR 40 HG23 THR 40 -17.122 16.485 16.485
299 3HG2 THR 40 HG22 THR 40 -15.826 15.562 15.562
300 H LYS 41 HN LYS 41 -17.215 17.826 17.826
301 HA LYS 41 HA LYS 41 -16.202 16.789 16.789
302 1HB LYS 41 HB2 LYS 41 -15.108 18.972 18.972
303 2HB LYS 41 HB1 LYS 41 -16.759 19.161 19.161
304 1HG LYS 41 HG2 LYS 41 -15.778 20.379 20.379
305 2HG LYS 41 HG1 LYS 41 -15.414 18.828 18.828
306 1HD LYS 41 HD2 LYS 41 -13.418 19.464 19.464
307 2HD LYS 41 HD1 LYS 41 -13.600 20.821 20.821
308 1HE LYS 41 HE2 LYS 41 -12.631 19.695 19.695
309 2HE LYS 41 HE1 LYS 41 -13.540 18.210 18.210
310 1HZ LYS 41 HZ1 LYS 41 -11.286 19.177 19.177
311 2HZ LYS 41 HZ3 LYS 41 -11.158 17.973 17.973
312 3HZ LYS 41 HZ2 LYS 41 -12.143 17.719 17.719
313 H GLY 42 HN GLY 42 -15.079 16.465 16.465
314 1HA GLY 42 HA2 GLY 42 -12.199 16.358 16.358
315 2HA GLY 42 HA1 GLY 42 -13.108 15.640 15.640
316 H LEU 43 HN LEU 43 -14.725 14.242 14.242
317 HA LEU 43 HA LEU 43 -14.641 12.252 12.252
318 1HB LEU 43 HB2 LEU 43 -11.587 12.645 12.645
319 2HB LEU 43 HB1 LEU 43 -12.470 11.515 11.515
320 HG LEU 43 HG LEU 43 -12.985 14.465 14.465
321 1HD1 LEU 43 HD12 LEU 43 -10.858 12.698 12.698
322 2HD1 LEU 43 HD11 LEU 43 -11.623 13.692 13.692
323 3HD1 LEU 43 HD13 LEU 43 -10.887 14.453 14.453
324 1HD2 LEU 43 HD22 LEU 43 -14.826 12.970 12.970
325 2HD2 LEU 43 HD21 LEU 43 -14.111 13.806 13.806
326 3HD2 LEU 43 HD23 LEU 43 -13.714 12.115 12.115
327 H GLY 44 HN GLY 44 -15.028 12.200 12.200
328 1HA GLY 44 HA2 GLY 44 -14.783 10.850 10.850
329 2HA GLY 44 HA1 GLY 44 -14.907 9.520 9.520
330 H ILE 45 HN ILE 45 -12.495 12.051 12.051
331 HA ILE 45 HA ILE 45 -10.353 10.017 10.017
332 HB ILE 45 HB ILE 45 -8.927 12.109 12.109
333 1HG1 ILE 45 HG12 ILE 45 -11.576 13.493 13.493
334 2HG1 ILE 45 HG11 ILE 45 -10.630 13.588 13.588
335 1HG2 ILE 45 HG21 ILE 45 -10.897 11.686 11.686
336 2HG2 ILE 45 HG23 ILE 45 -9.581 12.854 12.854
337 3HG2 ILE 45 HG22 ILE 45 -9.223 11.141 11.141
338 1HD1 ILE 45 HD12 ILE 45 -8.731 14.539 14.539
339 2HD1 ILE 45 HD11 ILE 45 -9.600 14.565 14.565
340 3HD1 ILE 45 HD13 ILE 45 -10.162 15.553 15.553
341 H SER 46 HN SER 46 -11.700 12.520 12.520
342 HA SER 46 HA SER 46 -11.214 10.851 10.851
343 1HB SER 46 HB2 SER 46 -9.397 12.263 12.263
344 2HB SER 46 HB1 SER 46 -8.897 11.435 11.435
345 HG SER 46 HG SER 46 -8.808 13.284 13.284
346 H TYR 47 HN TYR 47 -13.105 13.141 13.141
347 HA TYR 47 HA TYR 47 -13.275 15.074 15.074
348 1HB TYR 47 HB2 TYR 47 -15.068 16.016 16.016
349 2HB TYR 47 HB1 TYR 47 -13.855 15.364 15.364
350 HD1 TYR 47 HD1 TYR 47 -17.111 14.507 14.507
351 HD2 TYR 47 HD2 TYR 47 -14.199 13.761 13.761
352 HE1 TYR 47 HE1 TYR 47 -18.720 13.032 13.032
353 HE2 TYR 47 HE2 TYR 47 -15.796 12.299 12.299
354 HH TYR 47 HH TYR 47 -18.433 10.986 10.986
355 H GLY 48 HN GLY 48 -14.621 11.939 11.939
356 1HA GLY 48 HA2 GLY 48 -15.569 10.888 10.888
357 2HA GLY 48 HA1 GLY 48 -16.683 12.255 12.255
358 H ARG 49 HN ARG 49 -15.467 9.860 9.860
359 HA ARG 49 HA ARG 49 -17.901 9.911 9.911
360 1HB ARG 49 HB2 ARG 49 -15.684 9.487 9.487
361 2HB ARG 49 HB1 ARG 49 -15.554 8.029 8.029
362 1HG ARG 49 HG2 ARG 49 -17.982 7.681 7.681
363 2HG ARG 49 HG1 ARG 49 -16.932 8.469 8.469
364 1HD ARG 49 HD2 ARG 49 -16.285 5.926 5.926
365 2HD ARG 49 HD1 ARG 49 -16.620 6.072 6.072
366 HE ARG 49 HE ARG 49 -14.614 7.953 7.953
367 1HH1 ARG 49 HH11 ARG 49 -14.884 4.730 4.730
368 2HH1 ARG 49 HH12 ARG 49 -13.266 4.286 4.286
369 1HH2 ARG 49 HH21 ARG 49 -12.564 7.299 7.299
370 2HH2 ARG 49 HH22 ARG 49 -11.954 5.739 5.739
371 H LYS 50 HN LYS 50 -19.701 8.738 8.738
372 HA LYS 50 HA LYS 50 -19.825 6.729 6.729
373 1HB LYS 50 HB2 LYS 50 -22.256 6.789 6.789
374 2HB LYS 50 HB1 LYS 50 -21.609 8.379 8.379
375 1HG LYS 50 HG2 LYS 50 -21.379 7.793 7.793
376 2HG LYS 50 HG1 LYS 50 -22.999 7.592 7.592
377 1HD LYS 50 HD2 LYS 50 -22.866 9.894 9.894
378 2HD LYS 50 HD1 LYS 50 -21.203 10.011 10.011
379 1HE LYS 50 HE2 LYS 50 -22.576 11.104 11.104
380 2HE LYS 50 HE1 LYS 50 -21.973 9.603 9.603
381 1HZ LYS 50 HZ2 LYS 50 -24.534 9.744 9.744
382 2HZ LYS 50 HZ1 LYS 50 -24.487 10.078 10.078
383 3HZ LYS 50 HZ3 LYS 50 -24.039 8.544 8.544
384 H LYS 51 HN LYS 51 -19.767 6.924 6.924
385 HA LYS 51 HA LYS 51 -18.881 4.329 4.329
386 1HB LYS 51 HB2 LYS 51 -21.098 3.273 3.273
387 2HB LYS 51 HB1 LYS 51 -20.924 3.416 3.416
388 1HG LYS 51 HG2 LYS 51 -22.112 5.896 5.896
389 2HG LYS 51 HG1 LYS 51 -22.912 4.565 4.565
390 1HD LYS 51 HD2 LYS 51 -22.546 4.521 4.521
391 2HD LYS 51 HD1 LYS 51 -23.962 5.176 5.176
392 1HE LYS 51 HE2 LYS 51 -24.209 2.944 2.944
393 2HE LYS 51 HE1 LYS 51 -22.915 2.331 2.331
394 1HZ LYS 51 HZ3 LYS 51 -24.176 3.036 3.036
395 2HZ LYS 51 HZ2 LYS 51 -25.426 3.620 3.620
396 3HZ LYS 51 HZ1 LYS 51 -25.094 1.955 1.955
397 H ARG 52 HN ARG 52 -20.913 4.071 4.071
398 HA ARG 52 HA ARG 52 -19.865 6.359 6.359
399 1HB ARG 52 HB2 ARG 52 -20.962 3.815 3.815
400 2HB ARG 52 HB1 ARG 52 -19.744 4.905 4.905
401 1HG ARG 52 HG2 ARG 52 -18.239 3.368 3.368
402 2HG ARG 52 HG1 ARG 52 -18.415 4.131 4.131
403 1HD ARG 52 HD2 ARG 52 -18.627 1.598 1.598
404 2HD ARG 52 HD1 ARG 52 -20.033 2.408 2.408
405 HE ARG 52 HE ARG 52 -21.246 1.991 1.991
406 1HH1 ARG 52 HH11 ARG 52 -17.998 1.417 1.417
407 2HH1 ARG 52 HH12 ARG 52 -18.284 -0.040 -0.040
408 1HH2 ARG 52 HH21 ARG 52 -21.640 -0.237 -0.237
409 2HH2 ARG 52 HH22 ARG 52 -20.342 -0.975 -0.975
410 H ARG 53 HN ARG 53 -22.632 5.194 5.194
411 HA ARG 53 HA ARG 53 -24.915 5.668 5.668
412 1HB ARG 53 HB2 ARG 53 -23.796 7.895 7.895
413 2HB ARG 53 HB1 ARG 53 -23.911 7.879 7.879
414 1HG ARG 53 HG2 ARG 53 -25.814 9.093 9.093
415 2HG ARG 53 HG1 ARG 53 -26.436 7.534 7.534
416 1HD ARG 53 HD2 ARG 53 -26.216 6.740 6.740
417 2HD ARG 53 HD1 ARG 53 -25.832 8.413 8.413
418 HE ARG 53 HE ARG 53 -28.090 8.997 8.997
419 1HH1 ARG 53 HH21 ARG 53 -28.691 8.210 8.210
420 2HH1 ARG 53 HH22 ARG 53 -29.688 6.800 6.800
421 1HH2 ARG 53 HH11 ARG 53 -28.771 6.166 6.166
422 2HH2 ARG 53 HH12 ARG 53 -29.732 5.640 5.640
423 H GLN 54 HN GLN 54 -23.419 3.910 3.910
424 HA GLN 54 HA GLN 54 -23.987 2.553 2.553
425 1HB GLN 54 HB2 GLN 54 -26.627 3.900 3.900
426 2HB GLN 54 HB1 GLN 54 -26.389 2.963 2.963
427 1HG GLN 54 HG2 GLN 54 -26.084 2.212 2.212
428 2HG GLN 54 HG1 GLN 54 -27.224 1.516 1.516
429 1HE2 GLN 54 HE22 GLN 54 -23.591 -0.167 -0.167
430 2HE2 GLN 54 HE21 GLN 54 -24.126 1.075 1.075
431 H ARG 55 HN ARG 55 -24.160 6.019 6.019
432 HA ARG 55 HA ARG 55 -24.103 7.446 7.446
433 1HB ARG 55 HB2 ARG 55 -22.587 5.062 5.062
434 2HB ARG 55 HB1 ARG 55 -22.455 6.762 6.762
435 1HG ARG 55 HG2 ARG 55 -21.653 7.356 7.356
436 2HG ARG 55 HG1 ARG 55 -21.748 5.662 5.662
437 1HD ARG 55 HD2 ARG 55 -20.024 6.757 6.757
438 2HD ARG 55 HD1 ARG 55 -19.425 6.260 6.260
439 HE ARG 55 HE ARG 55 -20.255 4.485 4.485
440 1HH1 ARG 55 HH21 ARG 55 -21.803 2.818 2.818
441 2HH1 ARG 55 HH22 ARG 55 -20.999 2.025 2.025
442 1HH2 ARG 55 HH11 ARG 55 -18.427 4.355 4.355
443 2HH2 ARG 55 HH12 ARG 55 -19.082 2.898 2.898
444 H ARG 56 HN ARG 56 -26.437 5.729 5.729
445 HA ARG 56 HA ARG 56 -28.283 5.080 5.080
446 1HB ARG 56 HB2 ARG 56 -26.687 6.877 6.877
447 2HB ARG 56 HB1 ARG 56 -28.075 5.983 5.983
448 1HG ARG 56 HG2 ARG 56 -28.618 8.278 8.278
449 2HG ARG 56 HG1 ARG 56 -29.504 6.925 6.925
450 1HD ARG 56 HD2 ARG 56 -27.999 6.924 6.924
451 2HD ARG 56 HD1 ARG 56 -27.040 8.209 8.209
452 HE ARG 56 HE ARG 56 -29.177 9.632 9.632
453 1HH1 ARG 56 HH11 ARG 56 -30.425 6.713 6.713
454 2HH1 ARG 56 HH12 ARG 56 -31.045 7.112 7.112
455 1HH2 ARG 56 HH21 ARG 56 -29.368 10.149 10.149
456 2HH2 ARG 56 HH22 ARG 56 -30.446 9.059 9.059
457 H ARG 57 HN ARG 57 -27.028 2.970 2.970
458 HA ARG 57 HA ARG 57 -25.498 1.609 1.609
459 1HB ARG 57 HB2 ARG 57 -25.845 1.093 1.093
460 2HB ARG 57 HB1 ARG 57 -27.407 0.400 0.400
461 1HG ARG 57 HG2 ARG 57 -26.016 -1.463 -1.463
462 2HG ARG 57 HG1 ARG 57 -26.061 -0.999 -0.999
463 1HD ARG 57 HD2 ARG 57 -23.824 -0.852 -0.852
464 2HD ARG 57 HD1 ARG 57 -23.968 0.539 0.539
465 HE ARG 57 HE ARG 57 -23.647 -0.945 -0.945
466 1HH1 ARG 57 HH11 ARG 57 -25.215 -3.302 -3.302
467 2HH1 ARG 57 HH12 ARG 57 -23.995 -4.479 -4.479
468 1HH2 ARG 57 HH21 ARG 57 -21.429 -2.145 -2.145
469 2HH2 ARG 57 HH22 ARG 57 -21.847 -3.822 -3.822
470 HA PRO 58 HA PRO 58 -29.664 -0.400 -0.400
471 1HB PRO 58 HB2 PRO 58 -31.944 1.078 1.078
472 2HB PRO 58 HB1 PRO 58 -31.356 -0.155 -0.155
473 1HG PRO 58 HG2 PRO 58 -31.000 2.813 2.813
474 2HG PRO 58 HG1 PRO 58 -31.419 1.713 1.713
475 1HD PRO 58 HD2 PRO 58 -29.014 2.712 2.712
476 2HD PRO 58 HD1 PRO 58 -29.209 1.091 1.091
477 H SER 59 HN SER 59 -28.875 2.987 2.987
478 HA SER 59 HA SER 59 -30.300 3.366 3.366
479 1HB SER 59 HB2 SER 59 -30.072 5.129 5.129
480 2HB SER 59 HB1 SER 59 -28.327 5.118 5.118
481 HG SER 59 HG SER 59 -30.070 6.533 6.533
482 H GLN 60 HN GLN 60 -29.366 2.397 2.397
483 HA GLN 60 HA GLN 60 -26.498 2.922 2.922
484 1HB GLN 60 HB2 GLN 60 -27.795 0.286 0.286
485 2HB GLN 60 HB1 GLN 60 -26.585 0.363 0.363
486 1HG GLN 60 HG2 GLN 60 -25.015 1.390 1.390
487 2HG GLN 60 HG1 GLN 60 -26.279 1.493 1.493
488 1HE2 GLN 60 HE22 GLN 60 -25.475 -1.761 -1.761
489 2HE2 GLN 60 HE21 GLN 60 -25.959 -0.155 -0.155
490 H GLY 61 HN GLY 61 -29.399 3.427 3.427
491 1HA GLY 61 HA2 GLY 61 -29.469 2.147 2.147
492 2HA GLY 61 HA1 GLY 61 -30.395 3.599 3.599
493 H GLY 62 HN GLY 62 -27.577 2.332 2.332
494 1HA GLY 62 HA2 GLY 62 -25.894 3.335 3.335
495 2HA GLY 62 HA1 GLY 62 -27.063 4.627 4.627
496 H GLN 63 HN GLN 63 -25.979 3.748 3.748
497 HA GLN 63 HA GLN 63 -25.123 6.482 6.482
498 1HB GLN 63 HB2 GLN 63 -25.232 3.873 3.873
499 2HB GLN 63 HB1 GLN 63 -24.515 5.306 5.306
500 1HG GLN 63 HG2 GLN 63 -27.334 4.918 4.918
501 2HG GLN 63 HG1 GLN 63 -26.885 5.032 5.032
502 1HE2 GLN 63 HE22 GLN 63 -25.886 8.667 8.667
503 2HE2 GLN 63 HE21 GLN 63 -24.965 7.286 7.286
504 H THR 64 HN THR 64 -23.470 3.369 3.369
505 HA THR 64 HA THR 64 -21.153 2.878 2.878
506 HB THR 64 HB THR 64 -21.064 5.772 5.772
507 HG1 THR 64 HG1 THR 64 -22.021 5.158 5.158
508 1HG2 THR 64 HG22 THR 64 -18.930 4.351 4.351
509 2HG2 THR 64 HG21 THR 64 -19.343 3.535 3.535
510 3HG2 THR 64 HG23 THR 64 -19.019 5.268 5.268
511 H HIS 65 HN HIS 65 -22.055 3.493 3.493
512 HA HIS 65 HA HIS 65 -20.660 5.637 5.637
513 1HB HIS 65 HB2 HIS 65 -22.204 3.198 3.198
514 2HB HIS 65 HB1 HIS 65 -21.154 3.794 3.794
515 HD1 HIS 65 HD1 HIS 65 -24.396 3.564 3.564
516 HD2 HIS 65 HD2 HIS 65 -22.270 7.043 7.043
517 HE1 HIS 65 HE1 HIS 65 -26.054 5.472 5.472
518 H GLN 66 HN GLN 66 -19.124 4.775 4.775
519 HA GLN 66 HA GLN 66 -17.007 3.118 3.118
520 1HB GLN 66 HB2 GLN 66 -17.013 5.555 5.555
521 2HB GLN 66 HB1 GLN 66 -15.522 4.596 4.596
522 1HG GLN 66 HG2 GLN 66 -15.104 5.663 5.663
523 2HG GLN 66 HG1 GLN 66 -16.542 4.908 4.908
524 1HE2 GLN 66 HE22 GLN 66 -18.621 7.832 7.832
525 2HE2 GLN 66 HE21 GLN 66 -18.685 6.141 6.141
526 H ASP 67 HN ASP 67 -17.855 4.203 4.203
527 HA ASP 67 HA ASP 67 -16.712 1.799 1.799
528 1HB ASP 67 HB2 ASP 67 -16.754 4.149 4.149
529 2HB ASP 67 HB1 ASP 67 -18.488 3.910 3.910
530 HA PRO 68 HA PRO 68 -21.279 0.736 0.736
531 1HB PRO 68 HB2 PRO 68 -23.239 1.975 1.975
532 2HB PRO 68 HB1 PRO 68 -22.600 2.602 2.602
533 1HG PRO 68 HG2 PRO 68 -22.158 3.548 3.548
534 2HG PRO 68 HG1 PRO 68 -22.009 4.444 4.444
535 1HD PRO 68 HD2 PRO 68 -19.898 3.397 3.397
536 2HD PRO 68 HD1 PRO 68 -19.830 4.162 4.162
537 H ILE 69 HN ILE 69 -20.139 1.143 1.143
538 HA ILE 69 HA ILE 69 -21.549 -1.371 -1.371
539 HB ILE 69 HB ILE 69 -22.511 0.857 0.857
540 1HG1 ILE 69 HG12 ILE 69 -22.139 -1.499 -1.499
541 2HG1 ILE 69 HG11 ILE 69 -23.373 -0.239 -0.239
542 1HG2 ILE 69 HG22 ILE 69 -19.916 0.897 0.897
543 2HG2 ILE 69 HG21 ILE 69 -21.281 1.968 1.968
544 3HG2 ILE 69 HG23 ILE 69 -20.422 2.044 2.044
545 1HD1 ILE 69 HD13 ILE 69 -21.763 0.831 0.831
546 2HD1 ILE 69 HD12 ILE 69 -20.612 -0.474 -0.474
547 3HD1 ILE 69 HD11 ILE 69 -22.130 -0.806 -0.806
548 HA PRO 70 HA PRO 70 -16.923 -1.002 -1.002
549 1HB PRO 70 HB2 PRO 70 -15.564 -2.085 -2.085
550 2HB PRO 70 HB1 PRO 70 -15.836 -0.338 -0.338
551 1HG PRO 70 HG2 PRO 70 -17.223 -2.356 -2.356
552 2HG PRO 70 HG1 PRO 70 -16.831 -0.669 -0.669
553 1HD PRO 70 HD2 PRO 70 -19.362 -1.485 -1.485
554 2HD PRO 70 HD1 PRO 70 -18.650 0.125 0.125
555 H LYS 71 HN LYS 71 -19.129 -3.321 -3.321
556 HA LYS 71 HA LYS 71 -17.367 -5.655 -5.655
557 1HB LYS 71 HB2 LYS 71 -19.460 -6.892 -6.892
558 2HB LYS 71 HB1 LYS 71 -19.021 -5.686 -5.686
559 1HG LYS 71 HG2 LYS 71 -20.721 -4.300 -4.300
560 2HG LYS 71 HG1 LYS 71 -21.423 -5.911 -5.911
561 1HD LYS 71 HD2 LYS 71 -22.345 -4.457 -4.457
562 2HD LYS 71 HD1 LYS 71 -21.368 -5.638 -5.638
563 1HE LYS 71 HE2 LYS 71 -19.512 -3.878 -3.878
564 2HE LYS 71 HE1 LYS 71 -20.643 -2.748 -2.748
565 1HZ LYS 71 HZ3 LYS 71 -22.207 -3.137 -3.137
566 2HZ LYS 71 HZ2 LYS 71 -21.123 -4.218 -4.218
567 3HZ LYS 71 HZ1 LYS 71 -20.732 -2.569 -2.569
568 H GLN 72 HN GLN 72 -19.973 -3.910 -3.910
569 HA GLN 72 HA GLN 72 -19.202 -5.027 -5.027
570 1HB GLN 72 HB2 GLN 72 -21.859 -5.775 -5.775
571 2HB GLN 72 HB1 GLN 72 -20.510 -6.880 -6.880
572 1HG GLN 72 HG2 GLN 72 -21.932 -7.295 -7.295
573 2HG GLN 72 HG1 GLN 72 -20.844 -6.255 -6.255
574 1HE2 GLN 72 HE22 GLN 72 -23.538 -3.626 -3.626
575 2HE2 GLN 72 HE21 GLN 72 -21.846 -3.718 -3.718
576 HA PRO 73 HA PRO 73 -21.149 -1.244 -1.244
577 1HB PRO 73 HB2 PRO 73 -22.179 -1.879 -1.879
578 2HB PRO 73 HB1 PRO 73 -20.428 -1.603 -1.603
579 1HG PRO 73 HG2 PRO 73 -21.896 -4.221 -4.221
580 2HG PRO 73 HG1 PRO 73 -20.397 -3.816 -3.816
581 1HD PRO 73 HD2 PRO 73 -20.410 -5.200 -5.200
582 2HD PRO 73 HD1 PRO 73 -19.168 -3.952 -3.952
583 H SER 74 HN SER 74 -23.007 -4.210 -4.210
584 HA SER 74 HA SER 74 -25.282 -4.736 -4.736
585 1HB SER 74 HB2 SER 74 -23.940 -4.214 -4.214
586 2HB SER 74 HB1 SER 74 -25.177 -3.070 -3.070
587 HG SER 74 HG SER 74 -25.456 -5.800 -5.800
588 H SER 75 HN SER 75 -25.065 -2.467 -2.467
589 HA SER 75 HA SER 75 -27.663 -1.442 -1.442
590 1HB SER 75 HB2 SER 75 -26.147 -0.291 -0.291
591 2HB SER 75 HB1 SER 75 -26.452 0.914 0.914
592 HG SER 75 HG SER 75 -28.659 0.411 0.411
593 H GLN 76 HN GLN 76 -24.246 -0.483 -0.483
594 HA GLN 76 HA GLN 76 -24.661 1.427 1.427
595 1HB GLN 76 HB2 GLN 76 -22.253 -0.101 -0.101
596 2HB GLN 76 HB1 GLN 76 -22.181 1.105 1.105
597 1HG GLN 76 HG2 GLN 76 -21.873 2.554 2.554
598 2HG GLN 76 HG1 GLN 76 -23.622 2.474 2.474
599 1HE2 GLN 76 HE22 GLN 76 -23.561 0.730 0.730
600 2HE2 GLN 76 HE21 GLN 76 -24.519 1.409 1.409
601 HA PRO 77 HA PRO 77 -23.265 -2.210 -2.210
602 1HB PRO 77 HB2 PRO 77 -23.405 -4.774 -4.774
603 2HB PRO 77 HB1 PRO 77 -21.933 -3.756 -3.756
604 1HG PRO 77 HG2 PRO 77 -24.069 -4.242 -4.242
605 2HG PRO 77 HG1 PRO 77 -22.313 -4.172 -4.172
606 1HD PRO 77 HD2 PRO 77 -23.921 -2.171 -2.171
607 2HD PRO 77 HD1 PRO 77 -22.275 -1.903 -1.903
608 H ARG 78 HN ARG 78 -25.984 -2.123 -2.123
609 HA ARG 78 HA ARG 78 -27.691 -3.301 -3.301
610 1HB ARG 78 HB2 ARG 78 -28.684 -4.864 -4.864
611 2HB ARG 78 HB1 ARG 78 -26.885 -4.929 -4.929
612 1HG ARG 78 HG2 ARG 78 -26.698 -3.644 -3.644
613 2HG ARG 78 HG1 ARG 78 -28.401 -3.205 -3.205
614 1HD ARG 78 HD2 ARG 78 -29.005 -5.592 -5.592
615 2HD ARG 78 HD1 ARG 78 -27.278 -5.988 -5.988
616 HE ARG 78 HE ARG 78 -27.871 -3.765 -3.765
617 1HH1 ARG 78 HH11 ARG 78 -26.573 -6.752 -6.752
618 2HH1 ARG 78 HH12 ARG 78 -27.315 -7.245 -7.245
619 1HH2 ARG 78 HH21 ARG 78 -29.535 -4.573 -4.573
620 2HH2 ARG 78 HH22 ARG 78 -28.994 -6.008 -6.008
621 H GLY 79 HN GLY 79 -27.382 -0.497 -0.497
622 1HA GLY 79 HA2 GLY 79 -30.218 0.047 0.047
623 2HA GLY 79 HA1 GLY 79 -29.070 0.584 0.584
624 H ASP 80 HN ASP 80 -28.358 2.636 2.636
625 HA ASP 80 HA ASP 80 -29.036 4.186 4.186
626 1HB ASP 80 HB2 ASP 80 -27.388 4.711 4.711
627 2HB ASP 80 HB1 ASP 80 -27.789 5.958 5.958
628 HA PRO 81 HA PRO 81 -25.311 3.492 3.492
629 1HB PRO 81 HB2 PRO 81 -25.290 5.760 5.760
630 2HB PRO 81 HB1 PRO 81 -26.398 4.407 4.407
631 1HG PRO 81 HG2 PRO 81 -26.884 7.010 7.010
632 2HG PRO 81 HG1 PRO 81 -27.925 6.110 6.110
633 1HD PRO 81 HD2 PRO 81 -28.250 6.097 6.097
634 2HD PRO 81 HD1 PRO 81 -28.734 4.746 4.746
635 H THR 82 HN THR 82 -24.043 3.790 3.790
636 HA THR 82 HA THR 82 -23.102 6.318 6.318
637 HB THR 82 HB THR 82 -21.134 4.667 4.667
638 HG1 THR 82 HG1 THR 82 -23.056 2.699 2.699
639 1HG2 THR 82 HG21 THR 82 -23.381 5.603 5.603
640 2HG2 THR 82 HG23 THR 82 -23.753 3.880 3.880
641 3HG2 THR 82 HG22 THR 82 -22.292 4.463 4.463
642 H GLY 83 HN GLY 83 -21.163 3.894 3.894
643 1HA GLY 83 HA2 GLY 83 -20.215 5.759 5.759
644 2HA GLY 83 HA1 GLY 83 -19.075 5.606 5.606
645 HA PRO 84 HA PRO 84 -17.955 1.789 1.789
646 1HB PRO 84 HB2 PRO 84 -15.625 1.440 1.440
647 2HB PRO 84 HB1 PRO 84 -15.817 2.661 2.661
648 1HG PRO 84 HG2 PRO 84 -15.549 3.033 3.033
649 2HG PRO 84 HG1 PRO 84 -15.518 4.246 4.246
650 1HD PRO 84 HD2 PRO 84 -17.703 3.326 3.326
651 2HD PRO 84 HD1 PRO 84 -17.619 4.896 4.896
652 H LYS 85 HN LYS 85 -19.243 1.954 1.954
653 HA LYS 85 HA LYS 85 -18.413 -0.730 -0.730
654 1HB LYS 85 HB2 LYS 85 -20.320 1.383 1.383
655 2HB LYS 85 HB1 LYS 85 -19.885 -0.104 -0.104
656 1HG LYS 85 HG2 LYS 85 -17.721 0.589 0.589
657 2HG LYS 85 HG1 LYS 85 -17.666 1.662 1.662
658 1HD LYS 85 HD2 LYS 85 -17.771 3.012 3.012
659 2HD LYS 85 HD1 LYS 85 -19.265 3.190 3.190
660 1HE LYS 85 HE2 LYS 85 -19.997 2.853 2.853
661 2HE LYS 85 HE1 LYS 85 -20.176 1.261 1.261
662 1HZ LYS 85 HZ1 LYS 85 -17.633 2.062 2.062
663 2HZ LYS 85 HZ3 LYS 85 -18.875 1.330 1.330
664 3HZ LYS 85 HZ2 LYS 85 -18.165 0.502 0.502
665 H GLU 86 HN GLU 86 -20.463 0.163 0.163
666 HA GLU 86 HA GLU 86 -22.901 -1.259 -1.259
667 1HB GLU 86 HB2 GLU 86 -21.702 -0.165 -0.165
668 2HB GLU 86 HB1 GLU 86 -23.349 -0.845 -0.845
669 1HG GLU 86 HG2 GLU 86 -23.764 0.804 0.804
670 2HG GLU 86 HG1 GLU 86 -22.152 1.507 1.507
Start of MODEL 8
1 1H LEU 1 HT3 LEU 1 -24.837 21.634 21.634
2 2H LEU 1 HT2 LEU 1 -23.878 21.989 21.989
3 3H LEU 1 HT1 LEU 1 -25.507 21.545 21.545
4 HA LEU 1 HA LEU 1 -24.097 19.676 19.676
5 1HB LEU 1 HB2 LEU 1 -22.520 18.842 18.842
6 2HB LEU 1 HB1 LEU 1 -22.229 20.571 20.571
7 HG LEU 1 HG LEU 1 -24.094 20.529 20.529
8 1HD1 LEU 1 HD13 LEU 1 -22.713 17.974 17.974
9 2HD1 LEU 1 HD12 LEU 1 -22.499 18.894 18.894
10 3HD1 LEU 1 HD11 LEU 1 -24.122 18.520 18.520
11 1HD2 LEU 1 HD21 LEU 1 -21.153 20.919 20.919
12 2HD2 LEU 1 HD23 LEU 1 -22.417 22.058 22.058
13 3HD2 LEU 1 HD22 LEU 1 -21.861 20.842 20.842
14 H ASP 2 HN ASP 2 -24.510 17.437 17.437
15 HA ASP 2 HA ASP 2 -26.108 15.833 15.833
16 1HB ASP 2 HB2 ASP 2 -24.821 16.631 16.631
17 2HB ASP 2 HB1 ASP 2 -26.320 17.523 17.523
18 HA PRO 3 HA PRO 3 -29.749 18.683 18.683
19 1HB PRO 3 HB2 PRO 3 -30.054 18.631 18.631
20 2HB PRO 3 HB1 PRO 3 -29.043 19.808 19.808
21 1HG PRO 3 HG2 PRO 3 -28.237 17.482 17.482
22 2HG PRO 3 HG1 PRO 3 -27.352 18.955 18.955
23 1HD PRO 3 HD2 PRO 3 -27.188 16.369 16.369
24 2HD PRO 3 HD1 PRO 3 -26.185 17.800 17.800
25 H VAL 4 HN VAL 4 -29.849 16.550 16.550
26 HA VAL 4 HA VAL 4 -32.153 15.046 15.046
27 HB VAL 4 HB VAL 4 -30.232 14.919 14.919
28 1HG1 VAL 4 HG12 VAL 4 -31.357 12.605 12.605
29 2HG1 VAL 4 HG11 VAL 4 -32.697 13.262 13.262
30 3HG1 VAL 4 HG13 VAL 4 -31.125 13.015 13.015
31 1HG2 VAL 4 HG22 VAL 4 -33.171 15.577 15.577
32 2HG2 VAL 4 HG21 VAL 4 -31.851 16.709 16.709
33 3HG2 VAL 4 HG23 VAL 4 -32.270 15.503 15.503
34 H ASP 5 HN ASP 5 -28.802 14.305 14.305
35 HA ASP 5 HA ASP 5 -28.386 12.632 12.632
36 1HB ASP 5 HB2 ASP 5 -28.968 11.566 11.566
37 2HB ASP 5 HB1 ASP 5 -27.536 10.836 10.836
38 HA PRO 6 HA PRO 6 -24.365 13.830 13.830
39 1HB PRO 6 HB2 PRO 6 -23.919 13.410 13.410
40 2HB PRO 6 HB1 PRO 6 -23.844 12.097 12.097
41 1HG PRO 6 HG2 PRO 6 -25.835 12.593 12.593
42 2HG PRO 6 HG1 PRO 6 -25.561 11.124 11.124
43 1HD PRO 6 HD2 PRO 6 -27.446 13.276 13.276
44 2HD PRO 6 HD1 PRO 6 -27.439 11.614 11.614
45 H ASN 7 HN ASN 7 -23.451 15.470 15.470
46 HA ASN 7 HA ASN 7 -25.185 17.799 17.799
47 1HB ASN 7 HB2 ASN 7 -22.626 17.120 17.120
48 2HB ASN 7 HB1 ASN 7 -23.424 18.691 18.691
49 1HD2 ASN 7 HD22 ASN 7 -21.528 17.862 17.862
50 2HD2 ASN 7 HD21 ASN 7 -21.759 16.628 16.628
51 H ILE 8 HN ILE 8 -24.135 15.926 15.926
52 HA ILE 8 HA ILE 8 -26.790 16.510 16.510
53 HB ILE 8 HB ILE 8 -25.732 17.121 17.121
54 1HG1 ILE 8 HG12 ILE 8 -23.899 15.323 15.323
55 2HG1 ILE 8 HG11 ILE 8 -23.383 16.874 16.874
56 1HG2 ILE 8 HG21 ILE 8 -25.036 18.501 18.501
57 2HG2 ILE 8 HG23 ILE 8 -23.744 18.686 18.686
58 3HG2 ILE 8 HG22 ILE 8 -25.389 19.166 19.166
59 1HD1 ILE 8 HD11 ILE 8 -22.834 17.293 17.293
60 2HD1 ILE 8 HD13 ILE 8 -22.812 15.531 15.531
61 3HD1 ILE 8 HD12 ILE 8 -21.720 16.413 16.413
62 H GLU 9 HN GLU 9 -25.248 14.114 14.114
63 HA GLU 9 HA GLU 9 -25.051 11.794 11.794
64 1HB GLU 9 HB2 GLU 9 -27.284 12.573 12.573
65 2HB GLU 9 HB1 GLU 9 -26.751 10.918 10.918
66 1HG GLU 9 HG2 GLU 9 -27.345 10.983 10.983
67 2HG GLU 9 HG1 GLU 9 -27.527 12.743 12.743
68 HA PRO 10 HA PRO 10 -22.590 12.480 12.480
69 1HB PRO 10 HB2 PRO 10 -20.165 12.881 12.881
70 2HB PRO 10 HB1 PRO 10 -21.352 14.181 14.181
71 1HG PRO 10 HG2 PRO 10 -20.594 12.816 12.816
72 2HG PRO 10 HG1 PRO 10 -21.038 14.557 14.557
73 1HD PRO 10 HD2 PRO 10 -22.586 12.416 12.416
74 2HD PRO 10 HD1 PRO 10 -23.212 13.977 13.977
75 H TRP 11 HN TRP 11 -23.300 10.005 10.005
76 HA TRP 11 HA TRP 11 -20.717 8.525 8.525
77 1HB TRP 11 HB2 TRP 11 -23.626 7.906 7.906
78 2HB TRP 11 HB1 TRP 11 -22.285 6.744 6.744
79 HD1 TRP 11 HD1 TRP 11 -23.408 9.998 9.998
80 HE1 TRP 11 HE1 TRP 11 -22.190 10.169 10.169
81 HE3 TRP 11 HE3 TRP 11 -20.304 5.966 5.966
82 HZ2 TRP 11 HZ2 TRP 11 -20.150 8.759 8.759
83 HZ3 TRP 11 HZ3 TRP 11 -18.743 5.410 5.410
84 HH2 TRP 11 HH2 TRP 11 -18.662 6.795 6.795
85 H ASN 12 HN ASN 12 -22.018 9.544 9.544
86 HA ASN 12 HA ASN 12 -22.042 6.942 6.942
87 1HB ASN 12 HB2 ASN 12 -24.092 7.863 7.863
88 2HB ASN 12 HB1 ASN 12 -24.326 7.434 7.434
89 1HD2 ASN 12 HD22 ASN 12 -24.711 10.774 10.774
90 2HD2 ASN 12 HD21 ASN 12 -24.161 9.240 9.240
91 H HIS 13 HN HIS 13 -21.999 7.421 7.421
92 HA HIS 13 HA HIS 13 -20.402 9.896 9.896
93 1HB HIS 13 HB2 HIS 13 -19.838 7.007 7.007
94 2HB HIS 13 HB1 HIS 13 -19.163 8.030 8.030
95 HD1 HIS 13 HD1 HIS 13 -17.042 6.810 6.810
96 HD2 HIS 13 HD2 HIS 13 -18.896 10.375 10.375
97 HE1 HIS 13 HE1 HIS 13 -15.446 7.988 7.988
98 HA PRO 14 HA PRO 14 -22.789 10.064 10.064
99 1HB PRO 14 HB2 PRO 14 -20.952 11.236 11.236
100 2HB PRO 14 HB1 PRO 14 -21.560 12.336 12.336
101 1HG PRO 14 HG2 PRO 14 -19.144 11.010 11.010
102 2HG PRO 14 HG1 PRO 14 -19.674 12.552 12.552
103 1HD PRO 14 HD2 PRO 14 -19.077 10.113 10.113
104 2HD PRO 14 HD1 PRO 14 -19.950 11.416 11.416
105 H GLY 15 HN GLY 15 -19.596 8.623 8.623
106 1HA GLY 15 HA2 GLY 15 -18.738 6.819 6.819
107 2HA GLY 15 HA1 GLY 15 -20.299 6.478 6.478
108 H SER 16 HN SER 16 -18.418 9.504 9.504
109 HA SER 16 HA SER 16 -17.296 9.013 9.013
110 1HB SER 16 HB2 SER 16 -19.620 9.539 9.539
111 2HB SER 16 HB1 SER 16 -19.352 11.099 11.099
112 HG SER 16 HG SER 16 -19.307 11.159 11.159
113 H GLN 17 HN GLN 17 -16.871 10.385 10.385
114 HA GLN 17 HA GLN 17 -14.803 12.184 12.184
115 1HB GLN 17 HB2 GLN 17 -15.924 13.927 13.927
116 2HB GLN 17 HB1 GLN 17 -16.213 13.766 13.766
117 1HG GLN 17 HG2 GLN 17 -18.174 12.100 12.100
118 2HG GLN 17 HG1 GLN 17 -18.140 13.366 13.366
119 1HE2 GLN 17 HE22 GLN 17 -19.156 14.296 14.296
120 2HE2 GLN 17 HE21 GLN 17 -18.402 12.800 12.800
121 HA PRO 18 HA PRO 18 -13.944 11.653 11.653
122 1HB PRO 18 HB2 PRO 18 -15.556 10.002 10.002
123 2HB PRO 18 HB1 PRO 18 -15.821 11.762 11.762
124 1HG PRO 18 HG2 PRO 18 -17.154 9.535 9.535
125 2HG PRO 18 HG1 PRO 18 -17.842 10.997 10.997
126 1HD PRO 18 HD2 PRO 18 -17.413 10.696 10.696
127 2HD PRO 18 HD1 PRO 18 -17.265 12.317 12.317
128 H LYS 19 HN LYS 19 -15.281 9.101 9.101
129 HA LYS 19 HA LYS 19 -13.209 7.160 7.160
130 1HB LYS 19 HB2 LYS 19 -15.461 6.516 6.516
131 2HB LYS 19 HB1 LYS 19 -14.720 5.465 5.465
132 1HG LYS 19 HG2 LYS 19 -15.786 6.852 6.852
133 2HG LYS 19 HG1 LYS 19 -16.497 7.849 7.849
134 1HD LYS 19 HD2 LYS 19 -18.246 6.357 6.357
135 2HD LYS 19 HD1 LYS 19 -17.521 5.672 5.672
136 1HE LYS 19 HE2 LYS 19 -16.191 4.110 4.110
137 2HE LYS 19 HE1 LYS 19 -16.931 4.793 4.793
138 1HZ LYS 19 HZ2 LYS 19 -18.452 3.666 3.666
139 2HZ LYS 19 HZ1 LYS 19 -18.115 2.812 2.812
140 3HZ LYS 19 HZ3 LYS 19 -19.097 4.193 4.193
141 H THR 20 HN THR 20 -13.413 9.500 9.500
142 HA THR 20 HA THR 20 -11.785 8.006 8.006
143 HB THR 20 HB THR 20 -13.251 8.325 8.325
144 HG1 THR 20 HG1 THR 20 -13.622 10.301 10.301
145 1HG2 THR 20 HG23 THR 20 -14.682 7.337 7.337
146 2HG2 THR 20 HG22 THR 20 -15.183 8.960 8.960
147 3HG2 THR 20 HG21 THR 20 -15.604 8.334 8.334
148 H ALA 21 HN ALA 21 -13.129 11.199 11.199
149 HA ALA 21 HA ALA 21 -10.814 12.656 12.656
150 1HB ALA 21 HB3 ALA 21 -13.352 13.297 13.297
151 2HB ALA 21 HB2 ALA 21 -12.925 13.755 13.755
152 3HB ALA 21 HB1 ALA 21 -12.133 14.539 14.539
153 H SER 22 HN SER 22 -11.796 11.219 11.219
154 HA SER 22 HA SER 22 -9.394 12.356 12.356
155 1HB SER 22 HB2 SER 22 -11.499 13.528 13.528
156 2HB SER 22 HB1 SER 22 -12.154 11.909 11.909
157 HG SER 22 HG SER 22 -10.275 13.502 13.502
158 H ASN 23 HN ASN 23 -10.137 9.678 9.678
159 HA ASN 23 HA ASN 23 -10.414 7.730 7.730
160 1HB ASN 23 HB2 ASN 23 -10.564 6.216 6.216
161 2HB ASN 23 HB1 ASN 23 -11.035 7.756 7.756
162 1HD2 ASN 23 HD22 ASN 23 -8.017 8.148 8.148
163 2HD2 ASN 23 HD21 ASN 23 -9.169 9.058 9.058
164 H ARG 24 HN ARG 24 -8.028 9.511 9.511
165 HA ARG 24 HA ARG 24 -5.584 8.291 8.291
166 1HB ARG 24 HB2 ARG 24 -6.668 10.217 10.217
167 2HB ARG 24 HB1 ARG 24 -5.126 9.550 9.550
168 1HG ARG 24 HG2 ARG 24 -4.697 11.543 11.543
169 2HG ARG 24 HG1 ARG 24 -4.266 10.151 10.151
170 1HD ARG 24 HD2 ARG 24 -5.646 11.566 11.566
171 2HD ARG 24 HD1 ARG 24 -6.637 10.189 10.189
172 HE ARG 24 HE ARG 24 -7.862 11.576 11.576
173 1HH1 ARG 24 HH21 ARG 24 -5.939 13.110 13.110
174 2HH1 ARG 24 HH22 ARG 24 -6.061 14.710 14.710
175 1HH2 ARG 24 HH11 ARG 24 -7.699 13.687 13.687
176 2HH2 ARG 24 HH12 ARG 24 -7.061 15.037 15.037
177 H ALA 25 HN ALA 25 -7.532 7.900 7.900
178 HA ALA 25 HA ALA 25 -7.808 5.947 5.947
179 1HB ALA 25 HB2 ALA 25 -6.773 4.807 4.807
180 2HB ALA 25 HB1 ALA 25 -5.311 4.744 4.744
181 3HB ALA 25 HB3 ALA 25 -6.783 3.942 3.942
182 H HIS 26 HN HIS 26 -6.205 8.378 8.378
183 HA HIS 26 HA HIS 26 -4.943 7.554 7.554
184 1HB HIS 26 HB2 HIS 26 -2.692 8.663 8.663
185 2HB HIS 26 HB1 HIS 26 -3.038 7.000 7.000
186 HD1 HIS 26 HD1 HIS 26 -2.563 10.448 10.448
187 HD2 HIS 26 HD2 HIS 26 -3.787 6.734 6.734
188 HE1 HIS 26 HE1 HIS 26 -2.511 10.594 10.594
189 H ALA 27 HN ALA 27 -5.050 10.164 10.164
190 HA ALA 27 HA ALA 27 -5.163 12.243 12.243
191 1HB ALA 27 HB3 ALA 27 -5.204 12.179 12.179
192 2HB ALA 27 HB2 ALA 27 -5.390 13.678 13.678
193 3HB ALA 27 HB1 ALA 27 -3.901 12.741 12.741
194 H LYS 28 HN LYS 28 -7.284 10.287 10.287
195 HA LYS 28 HA LYS 28 -9.640 11.913 11.913
196 1HB LYS 28 HB2 LYS 28 -9.546 9.982 9.982
197 2HB LYS 28 HB1 LYS 28 -8.851 9.088 9.088
198 1HG LYS 28 HG2 LYS 28 -11.156 9.032 9.032
199 2HG LYS 28 HG1 LYS 28 -11.749 10.086 10.086
200 1HD LYS 28 HD2 LYS 28 -12.402 7.813 7.813
201 2HD LYS 28 HD1 LYS 28 -11.156 8.268 8.268
202 1HE LYS 28 HE2 LYS 28 -9.501 7.195 7.195
203 2HE LYS 28 HE1 LYS 28 -10.973 6.387 6.387
204 1HZ LYS 28 HZ2 LYS 28 -11.391 5.819 5.819
205 2HZ LYS 28 HZ1 LYS 28 -9.832 6.399 6.399
206 3HZ LYS 28 HZ3 LYS 28 -10.025 5.062 5.062
207 H LYS 29 HN LYS 29 -9.083 9.096 9.096
208 HA LYS 29 HA LYS 29 -11.034 10.079 10.079
209 1HB LYS 29 HB2 LYS 29 -10.461 7.956 7.956
210 2HB LYS 29 HB1 LYS 29 -10.765 7.692 7.692
211 1HG LYS 29 HG2 LYS 29 -7.897 8.246 8.246
212 2HG LYS 29 HG1 LYS 29 -8.518 6.917 6.917
213 1HD LYS 29 HD2 LYS 29 -9.577 6.146 6.146
214 2HD LYS 29 HD1 LYS 29 -8.391 7.264 7.264
215 1HE LYS 29 HE2 LYS 29 -6.558 6.056 6.056
216 2HE LYS 29 HE1 LYS 29 -7.473 5.224 5.224
217 1HZ LYS 29 HZ1 LYS 29 -8.253 4.929 4.929
218 2HZ LYS 29 HZ3 LYS 29 -7.006 3.974 3.974
219 3HZ LYS 29 HZ2 LYS 29 -8.565 3.890 3.890
220 H SER 30 HN SER 30 -7.531 10.026 10.026
221 HA SER 30 HA SER 30 -5.882 11.240 11.240
222 1HB SER 30 HB2 SER 30 -8.011 12.674 12.674
223 2HB SER 30 HB1 SER 30 -7.960 12.466 12.466
224 HG SER 30 HG SER 30 -6.331 13.922 13.922
225 H ALA 31 HN ALA 31 -6.942 8.595 8.595
226 HA ALA 31 HA ALA 31 -6.697 7.091 7.091
227 1HB ALA 31 HB1 ALA 31 -4.392 8.580 8.580
228 2HB ALA 31 HB3 ALA 31 -4.498 8.550 8.550
229 3HB ALA 31 HB2 ALA 31 -4.469 7.039 7.039
230 H TYR 32 HN TYR 32 -8.684 7.636 7.636
231 HA TYR 32 HA TYR 32 -8.115 8.578 8.578
232 1HB TYR 32 HB2 TYR 32 -9.855 10.394 10.394
233 2HB TYR 32 HB1 TYR 32 -8.554 10.710 10.710
234 HD1 TYR 32 HD1 TYR 32 -9.418 9.130 9.130
235 HD2 TYR 32 HD2 TYR 32 -11.827 11.101 11.101
236 HE1 TYR 32 HE1 TYR 32 -11.276 9.263 9.263
237 HE2 TYR 32 HE2 TYR 32 -13.700 11.228 11.228
238 HH TYR 32 HH TYR 32 -13.648 11.200 11.200
239 H HIS 33 HN HIS 33 -8.823 6.075 6.075
240 HA HIS 33 HA HIS 33 -10.285 4.283 4.283
241 1HB HIS 33 HB2 HIS 33 -11.462 6.381 6.381
242 2HB HIS 33 HB1 HIS 33 -11.931 4.677 4.677
243 HD1 HIS 33 HD1 HIS 33 -10.314 2.930 2.930
244 HD2 HIS 33 HD2 HIS 33 -8.830 6.822 6.822
245 HE1 HIS 33 HE1 HIS 33 -8.253 2.838 2.838
246 H SER 34 HN SER 34 -11.039 6.818 6.818
247 HA SER 34 HA SER 34 -12.754 7.339 7.339
248 1HB SER 34 HB2 SER 34 -12.953 4.415 4.415
249 2HB SER 34 HB1 SER 34 -14.192 5.153 5.153
250 HG SER 34 HG SER 34 -12.695 5.647 5.647
251 H GLN 35 HN GLN 35 -13.479 8.597 8.597
252 HA GLN 35 HA GLN 35 -16.002 7.639 7.639
253 1HB GLN 35 HB2 GLN 35 -14.444 10.232 10.232
254 2HB GLN 35 HB1 GLN 35 -15.765 9.612 9.612
255 1HG GLN 35 HG2 GLN 35 -13.092 8.333 8.333
256 2HG GLN 35 HG1 GLN 35 -13.640 9.110 9.110
257 1HE2 GLN 35 HE22 GLN 35 -14.581 5.272 5.272
258 2HE2 GLN 35 HE21 GLN 35 -13.437 6.153 6.153
259 H VAL 36 HN VAL 36 -15.024 9.775 9.775
260 HA VAL 36 HA VAL 36 -16.307 11.058 11.058
261 HB VAL 36 HB VAL 36 -18.454 9.368 9.368
262 1HG1 VAL 36 HG13 VAL 36 -18.823 11.136 11.136
263 2HG1 VAL 36 HG12 VAL 36 -19.824 9.725 9.725
264 3HG1 VAL 36 HG11 VAL 36 -19.767 11.063 11.063
265 1HG2 VAL 36 HG21 VAL 36 -16.867 9.080 9.080
266 2HG2 VAL 36 HG23 VAL 36 -16.973 7.967 7.967
267 3HG2 VAL 36 HG22 VAL 36 -18.362 8.193 8.193
268 H ALA 37 HN ALA 37 -18.184 12.773 12.773
269 HA ALA 37 HA ALA 37 -17.820 14.403 14.403
270 1HB ALA 37 HB3 ALA 37 -19.016 14.681 14.681
271 2HB ALA 37 HB2 ALA 37 -19.505 15.831 15.831
272 3HB ALA 37 HB1 ALA 37 -17.806 15.689 15.689
273 H PHE 38 HN PHE 38 -18.951 12.689 12.689
274 HA PHE 38 HA PHE 38 -21.854 12.443 12.443
275 1HB PHE 38 HB2 PHE 38 -21.651 10.799 10.799
276 2HB PHE 38 HB1 PHE 38 -20.451 10.587 10.587
277 HD1 PHE 38 HD1 PHE 38 -18.115 11.070 11.070
278 HD2 PHE 38 HD2 PHE 38 -21.021 11.419 11.419
279 HE1 PHE 38 HE1 PHE 38 -16.305 11.055 11.055
280 HE2 PHE 38 HE2 PHE 38 -19.202 11.414 11.414
281 HZ PHE 38 HZ PHE 38 -16.841 11.222 11.222
282 H ILE 39 HN ILE 39 -22.270 12.297 12.297
283 HA ILE 39 HA ILE 39 -23.478 14.832 14.832
284 HB ILE 39 HB ILE 39 -23.897 14.083 14.083
285 1HG1 ILE 39 HG12 ILE 39 -22.300 11.715 11.715
286 2HG1 ILE 39 HG11 ILE 39 -21.209 13.028 13.028
287 1HG2 ILE 39 HG21 ILE 39 -24.492 12.587 12.587
288 2HG2 ILE 39 HG23 ILE 39 -23.683 11.396 11.396
289 3HG2 ILE 39 HG22 ILE 39 -25.104 12.248 12.248
290 1HD1 ILE 39 HD12 ILE 39 -22.797 14.154 14.154
291 2HD1 ILE 39 HD11 ILE 39 -23.100 12.460 12.460
292 3HD1 ILE 39 HD13 ILE 39 -21.457 13.097 13.097
293 H THR 40 HN THR 40 -20.155 13.876 13.876
294 HA THR 40 HA THR 40 -19.738 16.605 16.605
295 HB THR 40 HB THR 40 -18.082 14.078 14.078
296 HG1 THR 40 HG1 THR 40 -19.408 13.518 13.518
297 1HG2 THR 40 HG22 THR 40 -17.014 16.350 16.350
298 2HG2 THR 40 HG21 THR 40 -18.169 16.534 16.534
299 3HG2 THR 40 HG23 THR 40 -16.990 15.220 15.220
300 H LYS 41 HN LYS 41 -18.381 17.963 17.963
301 HA LYS 41 HA LYS 41 -17.381 17.183 17.183
302 1HB LYS 41 HB2 LYS 41 -17.178 19.654 19.654
303 2HB LYS 41 HB1 LYS 41 -16.506 19.573 19.573
304 1HG LYS 41 HG2 LYS 41 -19.355 18.715 18.715
305 2HG LYS 41 HG1 LYS 41 -18.994 20.423 20.423
306 1HD LYS 41 HD2 LYS 41 -19.604 19.645 19.645
307 2HD LYS 41 HD1 LYS 41 -18.018 20.400 20.400
308 1HE LYS 41 HE2 LYS 41 -17.821 18.403 18.403
309 2HE LYS 41 HE1 LYS 41 -16.988 18.046 18.046
310 1HZ LYS 41 HZ3 LYS 41 -19.311 17.246 17.246
311 2HZ LYS 41 HZ2 LYS 41 -19.713 17.252 17.252
312 3HZ LYS 41 HZ1 LYS 41 -18.460 16.256 16.256
313 H GLY 42 HN GLY 42 -16.029 16.383 16.383
314 1HA GLY 42 HA2 GLY 42 -13.272 17.033 17.033
315 2HA GLY 42 HA1 GLY 42 -13.661 16.294 16.294
316 H LEU 43 HN LEU 43 -15.229 14.877 14.877
317 HA LEU 43 HA LEU 43 -14.803 13.010 13.010
318 1HB LEU 43 HB2 LEU 43 -12.337 14.544 14.544
319 2HB LEU 43 HB1 LEU 43 -12.040 12.833 12.833
320 HG LEU 43 HG LEU 43 -13.385 12.959 12.959
321 1HD1 LEU 43 HD11 LEU 43 -14.314 15.670 15.670
322 2HD1 LEU 43 HD13 LEU 43 -14.590 14.835 14.835
323 3HD1 LEU 43 HD12 LEU 43 -15.254 14.177 14.177
324 1HD2 LEU 43 HD21 LEU 43 -11.806 15.573 15.573
325 2HD2 LEU 43 HD23 LEU 43 -11.078 14.047 14.047
326 3HD2 LEU 43 HD22 LEU 43 -12.196 14.890 14.890
327 H GLY 44 HN GLY 44 -15.271 12.506 12.506
328 1HA GLY 44 HA2 GLY 44 -14.872 11.001 11.001
329 2HA GLY 44 HA1 GLY 44 -14.766 9.822 9.822
330 H ILE 45 HN ILE 45 -12.519 12.515 12.515
331 HA ILE 45 HA ILE 45 -10.254 10.705 10.705
332 HB ILE 45 HB ILE 45 -8.977 12.800 12.800
333 1HG1 ILE 45 HG12 ILE 45 -10.688 14.868 14.868
334 2HG1 ILE 45 HG11 ILE 45 -11.725 13.710 13.710
335 1HG2 ILE 45 HG23 ILE 45 -11.022 12.726 12.726
336 2HG2 ILE 45 HG22 ILE 45 -9.854 14.042 14.042
337 3HG2 ILE 45 HG21 ILE 45 -9.295 12.384 12.384
338 1HD1 ILE 45 HD11 ILE 45 -9.263 13.598 13.598
339 2HD1 ILE 45 HD13 ILE 45 -9.433 15.308 15.308
340 3HD1 ILE 45 HD12 ILE 45 -10.676 14.495 14.495
341 H SER 46 HN SER 46 -12.183 12.076 12.076
342 HA SER 46 HA SER 46 -10.866 10.228 10.228
343 1HB SER 46 HB2 SER 46 -9.293 12.302 12.302
344 2HB SER 46 HB1 SER 46 -10.316 13.099 13.099
345 HG SER 46 HG SER 46 -9.409 11.978 11.978
346 H TYR 47 HN TYR 47 -13.543 12.418 12.418
347 HA TYR 47 HA TYR 47 -14.077 12.718 12.718
348 1HB TYR 47 HB2 TYR 47 -16.300 13.793 13.793
349 2HB TYR 47 HB1 TYR 47 -14.753 14.504 14.504
350 HD1 TYR 47 HD1 TYR 47 -17.176 12.159 12.159
351 HD2 TYR 47 HD2 TYR 47 -13.967 14.974 14.974
352 HE1 TYR 47 HE1 TYR 47 -17.506 12.124 12.124
353 HE2 TYR 47 HE2 TYR 47 -14.298 14.926 14.926
354 HH TYR 47 HH TYR 47 -16.471 14.381 14.381
355 H GLY 48 HN GLY 48 -17.120 12.208 12.208
356 1HA GLY 48 HA2 GLY 48 -17.444 9.839 9.839
357 2HA GLY 48 HA1 GLY 48 -18.665 10.515 10.515
358 H ARG 49 HN ARG 49 -17.716 10.171 10.171
359 HA ARG 49 HA ARG 49 -17.495 8.526 8.526
360 1HB ARG 49 HB2 ARG 49 -15.809 7.470 7.470
361 2HB ARG 49 HB1 ARG 49 -15.763 6.752 6.752
362 1HG ARG 49 HG2 ARG 49 -15.334 9.369 9.369
363 2HG ARG 49 HG1 ARG 49 -14.727 9.360 9.360
364 1HD ARG 49 HD2 ARG 49 -12.852 8.835 8.835
365 2HD ARG 49 HD1 ARG 49 -13.328 7.335 7.335
366 HE ARG 49 HE ARG 49 -14.795 7.771 7.771
367 1HH1 ARG 49 HH11 ARG 49 -11.546 7.475 7.475
368 2HH1 ARG 49 HH12 ARG 49 -11.433 5.871 5.871
369 1HH2 ARG 49 HH21 ARG 49 -14.844 5.254 5.254
370 2HH2 ARG 49 HH22 ARG 49 -13.302 4.613 4.613
371 H LYS 50 HN LYS 50 -19.869 8.271 8.271
372 HA LYS 50 HA LYS 50 -20.417 5.778 5.778
373 1HB LYS 50 HB2 LYS 50 -22.797 6.424 6.424
374 2HB LYS 50 HB1 LYS 50 -21.876 7.648 7.648
375 1HG LYS 50 HG2 LYS 50 -21.406 8.134 8.134
376 2HG LYS 50 HG1 LYS 50 -23.099 7.714 7.714
377 1HD LYS 50 HD2 LYS 50 -23.142 10.049 10.049
378 2HD LYS 50 HD1 LYS 50 -23.060 9.335 9.335
379 1HE LYS 50 HE2 LYS 50 -21.510 11.170 11.170
380 2HE LYS 50 HE1 LYS 50 -20.607 9.668 9.668
381 1HZ LYS 50 HZ1 LYS 50 -21.297 10.313 10.313
382 2HZ LYS 50 HZ3 LYS 50 -20.333 11.506 11.506
383 3HZ LYS 50 HZ2 LYS 50 -19.782 9.906 9.906
384 H LYS 51 HN LYS 51 -20.268 6.666 6.666
385 HA LYS 51 HA LYS 51 -20.175 5.275 5.275
386 1HB LYS 51 HB2 LYS 51 -20.683 2.928 2.928
387 2HB LYS 51 HB1 LYS 51 -20.026 2.919 2.919
388 1HG LYS 51 HG2 LYS 51 -18.510 4.813 4.813
389 2HG LYS 51 HG1 LYS 51 -18.526 3.257 3.257
390 1HD LYS 51 HD2 LYS 51 -16.701 2.991 2.991
391 2HD LYS 51 HD1 LYS 51 -17.990 2.344 2.344
392 1HE LYS 51 HE2 LYS 51 -18.277 4.726 4.726
393 2HE LYS 51 HE1 LYS 51 -16.732 5.107 5.107
394 1HZ LYS 51 HZ1 LYS 51 -17.183 2.797 2.797
395 2HZ LYS 51 HZ3 LYS 51 -16.499 4.267 4.267
396 3HZ LYS 51 HZ2 LYS 51 -15.692 3.299 3.299
397 H ARG 52 HN ARG 52 -22.815 4.474 4.474
398 HA ARG 52 HA ARG 52 -24.582 3.637 3.637
399 1HB ARG 52 HB2 ARG 52 -25.354 4.202 4.202
400 2HB ARG 52 HB1 ARG 52 -26.085 3.071 3.071
401 1HG ARG 52 HG2 ARG 52 -23.478 2.861 2.861
402 2HG ARG 52 HG1 ARG 52 -24.813 1.702 1.702
403 1HD ARG 52 HD2 ARG 52 -22.786 2.232 2.232
404 2HD ARG 52 HD1 ARG 52 -23.020 0.763 0.763
405 HE ARG 52 HE ARG 52 -24.726 1.673 1.673
406 1HH1 ARG 52 HH21 ARG 52 -27.010 1.337 1.337
407 2HH1 ARG 52 HH22 ARG 52 -27.233 -0.359 -0.359
408 1HH2 ARG 52 HH11 ARG 52 -23.927 -1.175 -1.175
409 2HH2 ARG 52 HH12 ARG 52 -25.484 -1.784 -1.784
410 H ARG 53 HN ARG 53 -23.529 6.613 6.613
411 HA ARG 53 HA ARG 53 -25.832 8.235 8.235
412 1HB ARG 53 HB2 ARG 53 -24.382 10.003 10.003
413 2HB ARG 53 HB1 ARG 53 -23.446 8.908 8.908
414 1HG ARG 53 HG2 ARG 53 -23.346 8.271 8.271
415 2HG ARG 53 HG1 ARG 53 -22.548 9.769 9.769
416 1HD ARG 53 HD2 ARG 53 -21.476 8.225 8.225
417 2HD ARG 53 HD1 ARG 53 -22.004 6.931 6.931
418 HE ARG 53 HE ARG 53 -20.818 8.828 8.828
419 1HH1 ARG 53 HH11 ARG 53 -19.181 8.823 8.823
420 2HH1 ARG 53 HH12 ARG 53 -17.859 7.814 7.814
421 1HH2 ARG 53 HH21 ARG 53 -19.443 6.653 6.653
422 2HH2 ARG 53 HH22 ARG 53 -18.005 6.591 6.591
423 H GLN 54 HN GLN 54 -24.740 6.526 6.526
424 HA GLN 54 HA GLN 54 -25.971 8.239 8.239
425 1HB GLN 54 HB2 GLN 54 -25.368 5.253 5.253
426 2HB GLN 54 HB1 GLN 54 -25.418 6.503 6.503
427 1HG GLN 54 HG2 GLN 54 -23.496 7.586 7.586
428 2HG GLN 54 HG1 GLN 54 -23.374 6.776 6.776
429 1HE2 GLN 54 HE22 GLN 54 -21.364 4.239 4.239
430 2HE2 GLN 54 HE21 GLN 54 -21.812 5.234 5.234
431 H ARG 55 HN ARG 55 -27.022 5.476 5.476
432 HA ARG 55 HA ARG 55 -29.156 4.567 4.567
433 1HB ARG 55 HB2 ARG 55 -29.872 7.279 7.279
434 2HB ARG 55 HB1 ARG 55 -31.066 6.122 6.122
435 1HG ARG 55 HG2 ARG 55 -29.595 6.073 6.073
436 2HG ARG 55 HG1 ARG 55 -29.042 7.632 7.632
437 1HD ARG 55 HD2 ARG 55 -31.694 8.012 8.012
438 2HD ARG 55 HD1 ARG 55 -31.763 6.796 6.796
439 HE ARG 55 HE ARG 55 -29.750 8.758 8.758
440 1HH1 ARG 55 HH21 ARG 55 -31.398 7.993 7.993
441 2HH1 ARG 55 HH22 ARG 55 -32.538 9.284 9.284
442 1HH2 ARG 55 HH11 ARG 55 -31.982 10.567 10.567
443 2HH2 ARG 55 HH12 ARG 55 -32.871 10.746 10.746
444 H ARG 56 HN ARG 56 -27.736 4.618 4.618
445 HA ARG 56 HA ARG 56 -29.957 3.097 3.097
446 1HB ARG 56 HB2 ARG 56 -28.007 5.015 5.015
447 2HB ARG 56 HB1 ARG 56 -29.295 4.143 4.143
448 1HG ARG 56 HG2 ARG 56 -30.912 5.528 5.528
449 2HG ARG 56 HG1 ARG 56 -30.211 5.736 5.736
450 1HD ARG 56 HD2 ARG 56 -28.504 7.211 7.211
451 2HD ARG 56 HD1 ARG 56 -29.109 6.930 6.930
452 HE ARG 56 HE ARG 56 -31.292 7.983 7.983
453 1HH1 ARG 56 HH11 ARG 56 -28.459 9.396 9.396
454 2HH1 ARG 56 HH12 ARG 56 -29.163 10.354 10.354
455 1HH2 ARG 56 HH21 ARG 56 -32.271 8.814 8.814
456 2HH2 ARG 56 HH22 ARG 56 -31.325 10.024 10.024
457 H ARG 57 HN ARG 57 -27.748 2.084 2.084
458 HA ARG 57 HA ARG 57 -25.453 1.315 1.315
459 1HB ARG 57 HB2 ARG 57 -26.151 1.101 1.101
460 2HB ARG 57 HB1 ARG 57 -26.866 -0.448 -0.448
461 1HG ARG 57 HG2 ARG 57 -24.582 -0.777 -0.777
462 2HG ARG 57 HG1 ARG 57 -24.660 -1.152 -1.152
463 1HD ARG 57 HD2 ARG 57 -23.913 1.322 1.322
464 2HD ARG 57 HD1 ARG 57 -23.524 1.317 1.317
465 HE ARG 57 HE ARG 57 -22.489 -0.937 -0.937
466 1HH1 ARG 57 HH21 ARG 57 -20.895 -1.041 -1.041
467 2HH1 ARG 57 HH22 ARG 57 -19.643 0.143 0.143
468 1HH2 ARG 57 HH11 ARG 57 -21.330 1.942 1.942
469 2HH2 ARG 57 HH12 ARG 57 -19.891 1.836 1.836
470 HA PRO 58 HA PRO 58 -27.824 -2.567 -2.567
471 1HB PRO 58 HB2 PRO 58 -30.561 -2.553 -2.553
472 2HB PRO 58 HB1 PRO 58 -29.553 -3.122 -3.122
473 1HG PRO 58 HG2 PRO 58 -31.033 -0.575 -0.575
474 2HG PRO 58 HG1 PRO 58 -30.675 -1.502 -1.502
475 1HD PRO 58 HD2 PRO 58 -29.422 0.749 0.749
476 2HD PRO 58 HD1 PRO 58 -28.794 -0.179 -0.179
477 H SER 59 HN SER 59 -29.147 0.641 0.641
478 HA SER 59 HA SER 59 -30.160 -0.046 -0.046
479 1HB SER 59 HB2 SER 59 -31.062 1.769 1.769
480 2HB SER 59 HB1 SER 59 -29.526 2.619 2.619
481 HG SER 59 HG SER 59 -30.301 3.418 3.418
482 H GLN 60 HN GLN 60 -28.711 -0.526 -0.526
483 HA GLN 60 HA GLN 60 -26.344 1.234 1.234
484 1HB GLN 60 HB2 GLN 60 -26.327 -1.803 -1.803
485 2HB GLN 60 HB1 GLN 60 -24.972 -0.771 -0.771
486 1HG GLN 60 HG2 GLN 60 -24.909 0.236 0.236
487 2HG GLN 60 HG1 GLN 60 -26.447 -0.455 -0.455
488 1HE2 GLN 60 HE22 GLN 60 -24.836 -3.905 -3.905
489 2HE2 GLN 60 HE21 GLN 60 -26.009 -3.179 -3.179
490 H GLY 61 HN GLY 61 -28.987 0.816 0.816
491 1HA GLY 61 HA2 GLY 61 -28.350 -0.489 -0.489
492 2HA GLY 61 HA1 GLY 61 -29.793 0.474 0.474
493 H GLY 62 HN GLY 62 -26.412 0.625 0.625
494 1HA GLY 62 HA2 GLY 62 -25.320 2.228 2.228
495 2HA GLY 62 HA1 GLY 62 -26.857 3.074 3.074
496 H GLN 63 HN GLN 63 -25.782 2.259 2.259
497 HA GLN 63 HA GLN 63 -25.701 5.042 5.042
498 1HB GLN 63 HB2 GLN 63 -25.282 2.351 2.351
499 2HB GLN 63 HB1 GLN 63 -24.889 3.794 3.794
500 1HG GLN 63 HG2 GLN 63 -27.416 3.046 3.046
501 2HG GLN 63 HG1 GLN 63 -27.270 3.017 3.017
502 1HE2 GLN 63 HE22 GLN 63 -26.911 6.838 6.838
503 2HE2 GLN 63 HE21 GLN 63 -25.811 5.597 5.597
504 H THR 64 HN THR 64 -23.264 2.768 2.768
505 HA THR 64 HA THR 64 -20.886 2.862 2.862
506 HB THR 64 HB THR 64 -21.621 5.780 5.780
507 HG1 THR 64 HG1 THR 64 -21.285 3.774 3.774
508 1HG2 THR 64 HG22 THR 64 -19.116 4.288 4.288
509 2HG2 THR 64 HG21 THR 64 -19.413 5.252 5.252
510 3HG2 THR 64 HG23 THR 64 -19.381 6.026 6.026
511 H HIS 65 HN HIS 65 -21.921 2.612 2.612
512 HA HIS 65 HA HIS 65 -21.290 4.726 4.726
513 1HB HIS 65 HB2 HIS 65 -22.067 1.826 1.826
514 2HB HIS 65 HB1 HIS 65 -21.337 2.716 2.716
515 HD1 HIS 65 HD1 HIS 65 -24.486 1.815 1.815
516 HD2 HIS 65 HD2 HIS 65 -22.928 5.630 5.630
517 HE1 HIS 65 HE1 HIS 65 -26.421 3.430 3.430
518 H GLN 66 HN GLN 66 -19.120 2.652 2.652
519 HA GLN 66 HA GLN 66 -16.793 2.402 2.402
520 1HB GLN 66 HB2 GLN 66 -17.219 4.442 4.442
521 2HB GLN 66 HB1 GLN 66 -15.658 4.159 4.159
522 1HG GLN 66 HG2 GLN 66 -16.338 5.490 5.490
523 2HG GLN 66 HG1 GLN 66 -17.930 4.737 4.737
524 1HE2 GLN 66 HE22 GLN 66 -19.489 7.135 7.135
525 2HE2 GLN 66 HE21 GLN 66 -19.661 5.649 5.649
526 H ASP 67 HN ASP 67 -17.759 3.002 3.002
527 HA ASP 67 HA ASP 67 -15.920 1.001 1.001
528 1HB ASP 67 HB2 ASP 67 -16.371 2.943 2.943
529 2HB ASP 67 HB1 ASP 67 -18.113 2.696 2.696
530 HA PRO 68 HA PRO 68 -19.778 -1.609 -1.609
531 1HB PRO 68 HB2 PRO 68 -22.226 -0.841 -0.841
532 2HB PRO 68 HB1 PRO 68 -21.578 -0.314 -0.314
533 1HG PRO 68 HG2 PRO 68 -21.621 1.003 1.003
534 2HG PRO 68 HG1 PRO 68 -21.886 1.860 1.860
535 1HD PRO 68 HD2 PRO 68 -19.629 1.964 1.964
536 2HD PRO 68 HD1 PRO 68 -19.742 2.143 2.143
537 H ILE 69 HN ILE 69 -19.680 -0.058 -0.058
538 HA ILE 69 HA ILE 69 -20.103 -2.787 -2.787
539 HB ILE 69 HB ILE 69 -21.434 -1.810 -1.810
540 1HG1 ILE 69 HG12 ILE 69 -21.313 0.963 0.963
541 2HG1 ILE 69 HG11 ILE 69 -19.669 0.387 0.387
542 1HG2 ILE 69 HG21 ILE 69 -22.488 -1.796 -1.796
543 2HG2 ILE 69 HG23 ILE 69 -22.024 -0.101 -0.101
544 3HG2 ILE 69 HG22 ILE 69 -23.159 -0.597 -0.597
545 1HD1 ILE 69 HD12 ILE 69 -20.742 -0.763 -0.763
546 2HD1 ILE 69 HD11 ILE 69 -22.183 0.202 0.202
547 3HD1 ILE 69 HD13 ILE 69 -20.662 0.999 0.999
548 HA PRO 70 HA PRO 70 -16.029 -0.674 -0.674
549 1HB PRO 70 HB2 PRO 70 -14.381 -2.441 -2.441
550 2HB PRO 70 HB1 PRO 70 -14.786 -0.829 -0.829
551 1HG PRO 70 HG2 PRO 70 -15.832 -3.596 -3.596
552 2HG PRO 70 HG1 PRO 70 -15.565 -2.291 -2.291
553 1HD PRO 70 HD2 PRO 70 -18.036 -2.919 -2.919
554 2HD PRO 70 HD1 PRO 70 -17.576 -1.188 -1.188
555 H LYS 71 HN LYS 71 -17.697 -3.549 -3.549
556 HA LYS 71 HA LYS 71 -15.700 -5.181 -5.181
557 1HB LYS 71 HB2 LYS 71 -17.727 -6.564 -6.564
558 2HB LYS 71 HB1 LYS 71 -17.499 -6.222 -6.222
559 1HG LYS 71 HG2 LYS 71 -19.105 -4.091 -4.091
560 2HG LYS 71 HG1 LYS 71 -19.721 -5.620 -5.620
561 1HD LYS 71 HD2 LYS 71 -20.751 -4.761 -4.761
562 2HD LYS 71 HD1 LYS 71 -20.263 -6.462 -6.462
563 1HE LYS 71 HE2 LYS 71 -18.162 -5.736 -5.736
564 2HE LYS 71 HE1 LYS 71 -18.719 -4.080 -4.080
565 1HZ LYS 71 HZ3 LYS 71 -20.211 -6.392 -6.392
566 2HZ LYS 71 HZ2 LYS 71 -19.401 -5.199 -5.199
567 3HZ LYS 71 HZ1 LYS 71 -20.765 -4.790 -4.790
568 H GLN 72 HN GLN 72 -18.204 -2.844 -2.844
569 HA GLN 72 HA GLN 72 -17.012 -2.650 -2.650
570 1HB GLN 72 HB2 GLN 72 -19.468 -3.470 -3.470
571 2HB GLN 72 HB1 GLN 72 -18.078 -4.557 -4.557
572 1HG GLN 72 HG2 GLN 72 -19.825 -5.653 -5.653
573 2HG GLN 72 HG1 GLN 72 -18.983 -5.054 -5.054
574 1HE2 GLN 72 HE22 GLN 72 -21.832 -2.817 -2.817
575 2HE2 GLN 72 HE21 GLN 72 -20.175 -3.032 -3.032
576 HA PRO 73 HA PRO 73 -19.329 1.100 1.100
577 1HB PRO 73 HB2 PRO 73 -20.462 1.097 1.097
578 2HB PRO 73 HB1 PRO 73 -18.725 1.398 1.398
579 1HG PRO 73 HG2 PRO 73 -20.104 -1.182 -1.182
580 2HG PRO 73 HG1 PRO 73 -18.676 -0.456 -0.456
581 1HD PRO 73 HD2 PRO 73 -18.479 -2.425 -2.425
582 2HD PRO 73 HD1 PRO 73 -17.320 -1.083 -1.083
583 H SER 74 HN SER 74 -21.095 -1.686 -1.686
584 HA SER 74 HA SER 74 -23.228 -2.547 -2.547
585 1HB SER 74 HB2 SER 74 -22.110 -1.815 -1.815
586 2HB SER 74 HB1 SER 74 -23.388 -0.773 -0.773
587 HG SER 74 HG SER 74 -24.322 -2.530 -2.530
588 H SER 75 HN SER 75 -24.877 -1.992 -1.992
589 HA SER 75 HA SER 75 -26.762 -0.795 -0.795
590 1HB SER 75 HB2 SER 75 -26.352 0.077 0.077
591 2HB SER 75 HB1 SER 75 -26.099 1.575 1.575
592 HG SER 75 HG SER 75 -28.179 1.700 1.700
593 H GLN 76 HN GLN 76 -23.576 0.692 0.692
594 HA GLN 76 HA GLN 76 -24.169 2.807 2.807
595 1HB GLN 76 HB2 GLN 76 -21.777 1.610 1.610
596 2HB GLN 76 HB1 GLN 76 -21.540 2.635 2.635
597 1HG GLN 76 HG2 GLN 76 -21.603 4.367 4.367
598 2HG GLN 76 HG1 GLN 76 -23.354 4.096 4.096
599 1HE2 GLN 76 HE22 GLN 76 -23.459 2.904 2.904
600 2HE2 GLN 76 HE21 GLN 76 -24.333 3.306 3.306
601 HA PRO 77 HA PRO 77 -22.034 -0.266 -0.266
602 1HB PRO 77 HB2 PRO 77 -21.811 -2.916 -2.916
603 2HB PRO 77 HB1 PRO 77 -20.548 -1.672 -1.672
604 1HG PRO 77 HG2 PRO 77 -22.599 -2.801 -2.801
605 2HG PRO 77 HG1 PRO 77 -20.938 -2.306 -2.306
606 1HD PRO 77 HD2 PRO 77 -23.212 -0.939 -0.939
607 2HD PRO 77 HD1 PRO 77 -21.599 -0.182 -0.182
608 H ARG 78 HN ARG 78 -24.892 -0.911 -0.911
609 HA ARG 78 HA ARG 78 -26.206 -1.962 -1.962
610 1HB ARG 78 HB2 ARG 78 -27.100 -3.890 -3.890
611 2HB ARG 78 HB1 ARG 78 -25.323 -3.907 -3.907
612 1HG ARG 78 HG2 ARG 78 -25.368 -2.758 -2.758
613 2HG ARG 78 HG1 ARG 78 -27.103 -2.974 -2.974
614 1HD ARG 78 HD2 ARG 78 -26.618 -4.923 -4.923
615 2HD ARG 78 HD1 ARG 78 -26.359 -5.534 -5.534
616 HE ARG 78 HE ARG 78 -23.952 -4.278 -4.278
617 1HH1 ARG 78 HH21 ARG 78 -24.100 -5.196 -5.196
618 2HH1 ARG 78 HH22 ARG 78 -23.614 -6.858 -6.858
619 1HH2 ARG 78 HH11 ARG 78 -24.122 -7.161 -7.161
620 2HH2 ARG 78 HH12 ARG 78 -23.627 -7.973 -7.973
621 H GLY 79 HN GLY 79 -26.465 0.574 0.574
622 1HA GLY 79 HA2 GLY 79 -29.393 0.476 0.476
623 2HA GLY 79 HA1 GLY 79 -28.415 0.943 0.943
624 H ASP 80 HN ASP 80 -27.642 3.025 3.025
625 HA ASP 80 HA ASP 80 -28.741 4.995 4.995
626 1HB ASP 80 HB2 ASP 80 -28.533 5.462 5.462
627 2HB ASP 80 HB1 ASP 80 -26.793 5.106 5.106
628 HA PRO 81 HA PRO 81 -25.294 4.942 4.942
629 1HB PRO 81 HB2 PRO 81 -25.897 7.240 7.240
630 2HB PRO 81 HB1 PRO 81 -26.763 5.717 5.717
631 1HG PRO 81 HG2 PRO 81 -27.538 8.101 8.101
632 2HG PRO 81 HG1 PRO 81 -28.536 7.082 7.082
633 1HD PRO 81 HD2 PRO 81 -28.495 6.873 6.873
634 2HD PRO 81 HD1 PRO 81 -28.850 5.500 5.500
635 H THR 82 HN THR 82 -23.779 5.362 5.362
636 HA THR 82 HA THR 82 -23.256 8.033 8.033
637 HB THR 82 HB THR 82 -21.175 6.876 6.876
638 HG1 THR 82 HG1 THR 82 -20.626 5.229 5.229
639 1HG2 THR 82 HG22 THR 82 -23.765 6.668 6.668
640 2HG2 THR 82 HG21 THR 82 -23.354 4.967 4.967
641 3HG2 THR 82 HG23 THR 82 -22.399 5.973 5.973
642 H GLY 83 HN GLY 83 -21.438 5.933 5.933
643 1HA GLY 83 HA2 GLY 83 -20.852 7.739 7.739
644 2HA GLY 83 HA1 GLY 83 -19.677 8.119 8.119
645 HA PRO 84 HA PRO 84 -17.449 4.670 4.670
646 1HB PRO 84 HB2 PRO 84 -15.288 4.907 4.907
647 2HB PRO 84 HB1 PRO 84 -15.631 6.032 6.032
648 1HG PRO 84 HG2 PRO 84 -15.825 6.499 6.499
649 2HG PRO 84 HG1 PRO 84 -15.938 7.679 7.679
650 1HD PRO 84 HD2 PRO 84 -17.962 6.263 6.263
651 2HD PRO 84 HD1 PRO 84 -18.183 7.817 7.817
652 H LYS 85 HN LYS 85 -18.944 4.555 4.555
653 HA LYS 85 HA LYS 85 -17.667 2.026 2.026
654 1HB LYS 85 HB2 LYS 85 -20.090 3.427 3.427
655 2HB LYS 85 HB1 LYS 85 -18.959 2.326 2.326
656 1HG LYS 85 HG2 LYS 85 -18.444 5.155 5.155
657 2HG LYS 85 HG1 LYS 85 -18.381 4.520 4.520
658 1HD LYS 85 HD2 LYS 85 -16.426 3.111 3.111
659 2HD LYS 85 HD1 LYS 85 -16.532 3.788 3.788
660 1HE LYS 85 HE2 LYS 85 -16.086 5.979 5.979
661 2HE LYS 85 HE1 LYS 85 -16.093 5.506 5.506
662 1HZ LYS 85 HZ3 LYS 85 -14.311 4.301 4.301
663 2HZ LYS 85 HZ2 LYS 85 -13.809 5.528 5.528
664 3HZ LYS 85 HZ1 LYS 85 -14.262 4.009 4.009
665 H GLU 86 HN GLU 86 -19.765 2.657 2.657
666 HA GLU 86 HA GLU 86 -21.962 0.836 0.836
667 1HB GLU 86 HB2 GLU 86 -20.847 2.149 2.149
668 2HB GLU 86 HB1 GLU 86 -22.412 1.285 1.285
669 1HG GLU 86 HG2 GLU 86 -23.080 2.872 2.872
670 2HG GLU 86 HG1 GLU 86 -21.541 3.743 3.743
Start of MODEL 9
1 1H LEU 1 HT1 LEU 1 -24.963 20.935 20.935
2 2H LEU 1 HT3 LEU 1 -23.857 21.511 21.511
3 3H LEU 1 HT2 LEU 1 -25.443 21.127 21.127
4 HA LEU 1 HA LEU 1 -24.093 19.332 19.332
5 1HB LEU 1 HB2 LEU 1 -22.488 18.303 18.303
6 2HB LEU 1 HB1 LEU 1 -22.215 20.050 20.050
7 HG LEU 1 HG LEU 1 -24.065 19.715 19.715
8 1HD1 LEU 1 HD12 LEU 1 -22.675 17.244 17.244
9 2HD1 LEU 1 HD11 LEU 1 -22.174 17.989 17.989
10 3HD1 LEU 1 HD13 LEU 1 -23.883 17.688 17.688
11 1HD2 LEU 1 HD23 LEU 1 -21.466 20.770 20.770
12 2HD2 LEU 1 HD22 LEU 1 -22.605 21.125 21.125
13 3HD2 LEU 1 HD21 LEU 1 -21.434 19.822 19.822
14 H ASP 2 HN ASP 2 -24.283 16.935 16.935
15 HA ASP 2 HA ASP 2 -25.802 15.197 15.197
16 1HB ASP 2 HB2 ASP 2 -24.798 16.265 16.265
17 2HB ASP 2 HB1 ASP 2 -26.522 16.592 16.592
18 HA PRO 3 HA PRO 3 -29.619 17.685 17.685
19 1HB PRO 3 HB2 PRO 3 -29.667 17.643 17.643
20 2HB PRO 3 HB1 PRO 3 -28.820 18.874 18.874
21 1HG PRO 3 HG2 PRO 3 -27.703 16.654 16.654
22 2HG PRO 3 HG1 PRO 3 -26.934 18.142 18.142
23 1HD PRO 3 HD2 PRO 3 -26.944 15.477 15.477
24 2HD PRO 3 HD1 PRO 3 -25.858 16.811 16.811
25 H VAL 4 HN VAL 4 -29.396 15.637 15.637
26 HA VAL 4 HA VAL 4 -31.651 13.964 13.964
27 HB VAL 4 HB VAL 4 -29.625 14.060 14.060
28 1HG1 VAL 4 HG13 VAL 4 -31.775 11.984 11.984
29 2HG1 VAL 4 HG12 VAL 4 -31.233 12.358 12.358
30 3HG1 VAL 4 HG11 VAL 4 -30.090 11.720 11.720
31 1HG2 VAL 4 HG21 VAL 4 -32.612 14.529 14.529
32 2HG2 VAL 4 HG23 VAL 4 -31.358 15.752 15.752
33 3HG2 VAL 4 HG22 VAL 4 -31.659 14.572 14.572
34 H ASP 5 HN ASP 5 -28.271 13.267 13.267
35 HA ASP 5 HA ASP 5 -27.950 11.484 11.484
36 1HB ASP 5 HB2 ASP 5 -28.032 10.671 10.671
37 2HB ASP 5 HB1 ASP 5 -26.926 9.777 9.777
38 HA PRO 6 HA PRO 6 -23.824 13.044 13.044
39 1HB PRO 6 HB2 PRO 6 -23.144 12.974 12.974
40 2HB PRO 6 HB1 PRO 6 -23.098 11.521 11.521
41 1HG PRO 6 HG2 PRO 6 -24.964 12.186 12.186
42 2HG PRO 6 HG1 PRO 6 -24.662 10.618 10.618
43 1HD PRO 6 HD2 PRO 6 -26.753 12.560 12.560
44 2HD PRO 6 HD1 PRO 6 -26.560 10.843 10.843
45 H ASN 7 HN ASN 7 -22.845 14.974 14.974
46 HA ASN 7 HA ASN 7 -24.755 17.148 17.148
47 1HB ASN 7 HB2 ASN 7 -22.013 16.799 16.799
48 2HB ASN 7 HB1 ASN 7 -22.890 18.335 18.335
49 1HD2 ASN 7 HD22 ASN 7 -21.478 17.202 17.202
50 2HD2 ASN 7 HD21 ASN 7 -21.554 16.059 16.059
51 H ILE 8 HN ILE 8 -23.383 15.571 15.571
52 HA ILE 8 HA ILE 8 -25.850 16.418 16.418
53 HB ILE 8 HB ILE 8 -24.519 17.147 17.147
54 1HG1 ILE 8 HG12 ILE 8 -22.798 15.283 15.283
55 2HG1 ILE 8 HG11 ILE 8 -22.158 16.860 16.860
56 1HG2 ILE 8 HG21 ILE 8 -23.393 18.115 18.115
57 2HG2 ILE 8 HG23 ILE 8 -22.992 18.858 18.858
58 3HG2 ILE 8 HG22 ILE 8 -24.659 18.857 18.857
59 1HD1 ILE 8 HD11 ILE 8 -21.917 17.046 17.046
60 2HD1 ILE 8 HD13 ILE 8 -21.858 15.290 15.290
61 3HD1 ILE 8 HD12 ILE 8 -20.680 16.284 16.284
62 H GLU 9 HN GLU 9 -24.432 13.782 13.782
63 HA GLU 9 HA GLU 9 -24.293 11.516 11.516
64 1HB GLU 9 HB2 GLU 9 -26.453 12.579 12.579
65 2HB GLU 9 HB1 GLU 9 -26.148 10.877 10.877
66 1HG GLU 9 HG2 GLU 9 -26.676 11.073 11.073
67 2HG GLU 9 HG1 GLU 9 -26.774 12.846 12.846
68 HA PRO 10 HA PRO 10 -21.902 12.622 12.622
69 1HB PRO 10 HB2 PRO 10 -19.464 12.536 12.536
70 2HB PRO 10 HB1 PRO 10 -20.378 14.098 14.098
71 1HG PRO 10 HG2 PRO 10 -19.816 12.211 12.211
72 2HG PRO 10 HG1 PRO 10 -20.087 13.994 13.994
73 1HD PRO 10 HD2 PRO 10 -21.789 11.859 11.859
74 2HD PRO 10 HD1 PRO 10 -22.302 13.548 13.548
75 H TRP 11 HN TRP 11 -22.792 10.026 10.026
76 HA TRP 11 HA TRP 11 -20.310 8.380 8.380
77 1HB TRP 11 HB2 TRP 11 -23.122 7.794 7.794
78 2HB TRP 11 HB1 TRP 11 -21.830 6.575 6.575
79 HD1 TRP 11 HD1 TRP 11 -22.685 9.782 9.782
80 HE1 TRP 11 HE1 TRP 11 -21.324 9.777 9.777
81 HE3 TRP 11 HE3 TRP 11 -19.812 5.628 5.628
82 HZ2 TRP 11 HZ2 TRP 11 -19.290 8.205 8.205
83 HZ3 TRP 11 HZ3 TRP 11 -18.180 4.907 4.907
84 HH2 TRP 11 HH2 TRP 11 -17.916 6.187 6.187
85 H ASN 12 HN ASN 12 -21.877 9.858 9.858
86 HA ASN 12 HA ASN 12 -22.736 7.540 7.540
87 1HB ASN 12 HB2 ASN 12 -23.866 9.557 9.557
88 2HB ASN 12 HB1 ASN 12 -24.549 8.964 8.964
89 1HD2 ASN 12 HD22 ASN 12 -23.732 11.875 11.875
90 2HD2 ASN 12 HD21 ASN 12 -24.080 10.216 10.216
91 H HIS 13 HN HIS 13 -21.276 6.955 6.955
92 HA HIS 13 HA HIS 13 -19.402 9.016 9.016
93 1HB HIS 13 HB2 HIS 13 -19.192 6.149 6.149
94 2HB HIS 13 HB1 HIS 13 -17.978 6.825 6.825
95 HD1 HIS 13 HD1 HIS 13 -16.997 5.929 5.929
96 HD2 HIS 13 HD2 HIS 13 -18.412 9.786 9.786
97 HE1 HIS 13 HE1 HIS 13 -16.010 7.397 7.397
98 HA PRO 14 HA PRO 14 -21.620 7.892 7.892
99 1HB PRO 14 HB2 PRO 14 -20.145 9.713 9.713
100 2HB PRO 14 HB1 PRO 14 -21.627 10.121 10.121
101 1HG PRO 14 HG2 PRO 14 -18.701 10.372 10.372
102 2HG PRO 14 HG1 PRO 14 -19.977 11.548 11.548
103 1HD PRO 14 HD2 PRO 14 -18.961 10.086 10.086
104 2HD PRO 14 HD1 PRO 14 -20.701 10.484 10.484
105 H GLY 15 HN GLY 15 -18.169 7.921 7.921
106 1HA GLY 15 HA2 GLY 15 -16.614 6.270 6.270
107 2HA GLY 15 HA1 GLY 15 -17.836 5.668 5.668
108 H SER 16 HN SER 16 -18.000 8.866 8.866
109 HA SER 16 HA SER 16 -15.872 8.896 8.896
110 1HB SER 16 HB2 SER 16 -18.750 9.415 9.415
111 2HB SER 16 HB1 SER 16 -17.863 10.735 10.735
112 HG SER 16 HG SER 16 -17.144 9.395 9.395
113 H GLN 17 HN GLN 17 -16.195 9.996 9.996
114 HA GLN 17 HA GLN 17 -14.887 12.590 12.590
115 1HB GLN 17 HB2 GLN 17 -17.514 12.258 12.258
116 2HB GLN 17 HB1 GLN 17 -16.293 13.568 13.568
117 1HG GLN 17 HG2 GLN 17 -16.957 14.633 14.633
118 2HG GLN 17 HG1 GLN 17 -16.914 13.234 13.234
119 1HE2 GLN 17 HE22 GLN 17 -20.410 12.573 12.573
120 2HE2 GLN 17 HE21 GLN 17 -18.915 11.917 11.917
121 HA PRO 18 HA PRO 18 -13.911 11.520 11.520
122 1HB PRO 18 HB2 PRO 18 -15.182 9.353 9.353
123 2HB PRO 18 HB1 PRO 18 -15.805 11.023 11.023
124 1HG PRO 18 HG2 PRO 18 -16.510 8.841 8.841
125 2HG PRO 18 HG1 PRO 18 -17.591 9.881 9.881
126 1HD PRO 18 HD2 PRO 18 -17.088 10.336 10.336
127 2HD PRO 18 HD1 PRO 18 -17.213 11.702 11.702
128 H LYS 19 HN LYS 19 -14.484 9.163 9.163
129 HA LYS 19 HA LYS 19 -12.212 7.471 7.471
130 1HB LYS 19 HB2 LYS 19 -14.247 6.933 6.933
131 2HB LYS 19 HB1 LYS 19 -13.241 5.722 5.722
132 1HG LYS 19 HG2 LYS 19 -15.410 7.405 7.405
133 2HG LYS 19 HG1 LYS 19 -15.548 5.649 5.649
134 1HD LYS 19 HD2 LYS 19 -13.593 7.009 7.009
135 2HD LYS 19 HD1 LYS 19 -15.005 6.073 6.073
136 1HE LYS 19 HE2 LYS 19 -12.769 4.868 4.868
137 2HE LYS 19 HE1 LYS 19 -12.755 4.838 4.838
138 1HZ LYS 19 HZ1 LYS 19 -15.038 3.917 3.917
139 2HZ LYS 19 HZ3 LYS 19 -14.909 3.795 3.795
140 3HZ LYS 19 HZ2 LYS 19 -13.881 2.883 2.883
141 H THR 20 HN THR 20 -13.095 9.814 9.814
142 HA THR 20 HA THR 20 -10.515 9.286 9.286
143 HB THR 20 HB THR 20 -12.235 7.893 7.893
144 HG1 THR 20 HG1 THR 20 -11.550 10.019 10.019
145 1HG2 THR 20 HG23 THR 20 -14.129 9.479 9.479
146 2HG2 THR 20 HG22 THR 20 -13.507 10.516 10.516
147 3HG2 THR 20 HG21 THR 20 -14.078 8.891 8.891
148 H ALA 21 HN ALA 21 -13.370 11.479 11.479
149 HA ALA 21 HA ALA 21 -11.729 13.635 13.635
150 1HB ALA 21 HB3 ALA 21 -14.228 12.971 12.971
151 2HB ALA 21 HB2 ALA 21 -14.549 13.962 13.962
152 3HB ALA 21 HB1 ALA 21 -13.762 14.669 14.669
153 H SER 22 HN SER 22 -11.590 12.500 12.500
154 HA SER 22 HA SER 22 -10.690 14.824 14.824
155 1HB SER 22 HB2 SER 22 -13.222 15.365 15.365
156 2HB SER 22 HB1 SER 22 -13.411 13.879 13.879
157 HG SER 22 HG SER 22 -13.193 15.231 15.231
158 H ASN 23 HN ASN 23 -9.545 12.434 12.434
159 HA ASN 23 HA ASN 23 -10.334 10.528 10.528
160 1HB ASN 23 HB2 ASN 23 -8.707 10.585 10.585
161 2HB ASN 23 HB1 ASN 23 -7.535 10.538 10.538
162 1HD2 ASN 23 HD22 ASN 23 -10.266 7.476 7.476
163 2HD2 ASN 23 HD21 ASN 23 -10.808 9.091 9.091
164 H ARG 24 HN ARG 24 -8.222 9.813 9.813
165 HA ARG 24 HA ARG 24 -6.735 11.881 11.881
166 1HB ARG 24 HB2 ARG 24 -8.157 11.758 11.758
167 2HB ARG 24 HB1 ARG 24 -8.871 12.501 12.501
168 1HG ARG 24 HG2 ARG 24 -9.806 10.072 10.072
169 2HG ARG 24 HG1 ARG 24 -9.770 10.106 10.106
170 1HD ARG 24 HD2 ARG 24 -10.907 12.312 12.312
171 2HD ARG 24 HD1 ARG 24 -11.153 12.082 12.082
172 HE ARG 24 HE ARG 24 -11.882 9.679 9.679
173 1HH1 ARG 24 HH11 ARG 24 -12.933 12.707 12.707
174 2HH1 ARG 24 HH12 ARG 24 -14.606 12.448 12.448
175 1HH2 ARG 24 HH21 ARG 24 -14.059 9.428 9.428
176 2HH2 ARG 24 HH22 ARG 24 -15.244 10.590 10.590
177 H ALA 25 HN ALA 25 -8.364 8.992 8.992
178 HA ALA 25 HA ALA 25 -7.507 6.975 6.975
179 1HB ALA 25 HB1 ALA 25 -6.670 7.150 7.150
180 2HB ALA 25 HB3 ALA 25 -5.106 7.536 7.536
181 3HB ALA 25 HB2 ALA 25 -5.873 5.985 5.985
182 H HIS 26 HN HIS 26 -7.045 9.069 9.069
183 HA HIS 26 HA HIS 26 -4.729 8.082 8.082
184 1HB HIS 26 HB2 HIS 26 -3.621 10.486 10.486
185 2HB HIS 26 HB1 HIS 26 -3.431 9.244 9.244
186 HD1 HIS 26 HD1 HIS 26 -2.754 11.556 11.556
187 HD2 HIS 26 HD2 HIS 26 -6.781 10.937 10.937
188 HE1 HIS 26 HE1 HIS 26 -4.066 13.044 13.044
189 H ALA 27 HN ALA 27 -6.113 11.410 11.410
190 HA ALA 27 HA ALA 27 -6.465 11.470 11.470
191 1HB ALA 27 HB1 ALA 27 -7.855 12.963 12.963
192 2HB ALA 27 HB3 ALA 27 -7.879 13.453 13.453
193 3HB ALA 27 HB2 ALA 27 -6.360 13.446 13.446
194 H LYS 28 HN LYS 28 -8.384 9.981 9.981
195 HA LYS 28 HA LYS 28 -10.981 9.978 9.978
196 1HB LYS 28 HB2 LYS 28 -9.482 8.109 8.109
197 2HB LYS 28 HB1 LYS 28 -11.265 7.994 7.994
198 1HG LYS 28 HG2 LYS 28 -9.504 10.107 10.107
199 2HG LYS 28 HG1 LYS 28 -10.862 9.225 9.225
200 1HD LYS 28 HD2 LYS 28 -12.202 10.896 10.896
201 2HD LYS 28 HD1 LYS 28 -11.961 10.562 10.562
202 1HE LYS 28 HE2 LYS 28 -9.912 12.039 12.039
203 2HE LYS 28 HE1 LYS 28 -10.292 12.427 12.427
204 1HZ LYS 28 HZ1 LYS 28 -12.150 12.774 12.774
205 2HZ LYS 28 HZ3 LYS 28 -11.290 14.037 14.037
206 3HZ LYS 28 HZ2 LYS 28 -12.482 13.202 13.202
207 H LYS 29 HN LYS 29 -8.099 8.086 8.086
208 HA LYS 29 HA LYS 29 -9.375 6.761 6.761
209 1HB LYS 29 HB2 LYS 29 -9.107 4.545 4.545
210 2HB LYS 29 HB1 LYS 29 -9.849 5.463 5.463
211 1HG LYS 29 HG2 LYS 29 -6.887 4.963 4.963
212 2HG LYS 29 HG1 LYS 29 -7.949 4.022 4.022
213 1HD LYS 29 HD2 LYS 29 -8.546 6.472 6.472
214 2HD LYS 29 HD1 LYS 29 -6.963 6.854 6.854
215 1HE LYS 29 HE2 LYS 29 -7.457 4.730 4.730
216 2HE LYS 29 HE1 LYS 29 -6.688 6.335 6.335
217 1HZ LYS 29 HZ1 LYS 29 -5.138 5.756 5.756
218 2HZ LYS 29 HZ3 LYS 29 -5.672 4.148 4.148
219 3HZ LYS 29 HZ2 LYS 29 -4.914 4.863 4.863
220 H SER 30 HN SER 30 -7.063 8.625 8.625
221 HA SER 30 HA SER 30 -4.542 7.359 7.359
222 1HB SER 30 HB2 SER 30 -3.818 9.608 9.608
223 2HB SER 30 HB1 SER 30 -4.999 9.683 9.683
224 HG SER 30 HG SER 30 -6.381 10.611 10.611
225 H ALA 31 HN ALA 31 -6.265 8.908 8.908
226 HA ALA 31 HA ALA 31 -5.853 6.662 6.662
227 1HB ALA 31 HB3 ALA 31 -3.864 8.929 8.929
228 2HB ALA 31 HB2 ALA 31 -4.128 8.048 8.048
229 3HB ALA 31 HB1 ALA 31 -3.553 7.195 7.195
230 H TYR 32 HN TYR 32 -8.210 7.713 7.713
231 HA TYR 32 HA TYR 32 -8.510 9.305 9.305
232 1HB TYR 32 HB2 TYR 32 -9.628 11.184 11.184
233 2HB TYR 32 HB1 TYR 32 -8.078 10.866 10.866
234 HD1 TYR 32 HD1 TYR 32 -8.476 8.846 8.846
235 HD2 TYR 32 HD2 TYR 32 -11.303 11.757 11.757
236 HE1 TYR 32 HE1 TYR 32 -9.737 8.666 8.666
237 HE2 TYR 32 HE2 TYR 32 -12.558 11.575 11.575
238 HH TYR 32 HH TYR 32 -11.618 10.701 10.701
239 H HIS 33 HN HIS 33 -9.158 6.634 6.634
240 HA HIS 33 HA HIS 33 -10.908 5.096 5.096
241 1HB HIS 33 HB2 HIS 33 -12.425 7.645 7.645
242 2HB HIS 33 HB1 HIS 33 -12.957 5.974 5.974
243 HD1 HIS 33 HD1 HIS 33 -11.865 4.610 4.610
244 HD2 HIS 33 HD2 HIS 33 -10.257 8.435 8.435
245 HE1 HIS 33 HE1 HIS 33 -10.414 4.992 4.992
246 H SER 34 HN SER 34 -10.698 7.234 7.234
247 HA SER 34 HA SER 34 -11.756 7.500 7.500
248 1HB SER 34 HB2 SER 34 -12.070 4.694 4.694
249 2HB SER 34 HB1 SER 34 -12.988 5.162 5.162
250 HG SER 34 HG SER 34 -10.319 4.759 4.759
251 H GLN 35 HN GLN 35 -13.291 9.136 9.136
252 HA GLN 35 HA GLN 35 -16.025 8.144 8.144
253 1HB GLN 35 HB2 GLN 35 -14.721 10.882 10.882
254 2HB GLN 35 HB1 GLN 35 -16.370 10.521 10.521
255 1HG GLN 35 HG2 GLN 35 -13.746 9.557 9.557
256 2HG GLN 35 HG1 GLN 35 -15.040 10.482 10.482
257 1HE2 GLN 35 HE22 GLN 35 -15.166 6.521 6.521
258 2HE2 GLN 35 HE21 GLN 35 -13.788 7.387 7.387
259 H VAL 36 HN VAL 36 -14.293 9.951 9.951
260 HA VAL 36 HA VAL 36 -14.973 10.680 10.680
261 HB VAL 36 HB VAL 36 -17.296 8.786 8.786
262 1HG1 VAL 36 HG11 VAL 36 -16.838 10.387 10.387
263 2HG1 VAL 36 HG13 VAL 36 -16.040 8.892 8.892
264 3HG1 VAL 36 HG12 VAL 36 -17.743 8.875 8.875
265 1HG2 VAL 36 HG22 VAL 36 -14.479 8.137 8.137
266 2HG2 VAL 36 HG21 VAL 36 -15.370 7.463 7.463
267 3HG2 VAL 36 HG23 VAL 36 -15.856 7.073 7.073
268 H ALA 37 HN ALA 37 -15.518 12.628 12.628
269 HA ALA 37 HA ALA 37 -16.945 14.424 14.424
270 1HB ALA 37 HB3 ALA 37 -17.593 13.465 13.465
271 2HB ALA 37 HB2 ALA 37 -18.645 14.694 14.694
272 3HB ALA 37 HB1 ALA 37 -16.920 15.010 15.010
273 H PHE 38 HN PHE 38 -17.756 12.491 12.491
274 HA PHE 38 HA PHE 38 -20.573 11.775 11.775
275 1HB PHE 38 HB2 PHE 38 -20.273 10.293 10.293
276 2HB PHE 38 HB1 PHE 38 -18.767 10.247 10.247
277 HD1 PHE 38 HD1 PHE 38 -17.743 12.995 12.995
278 HD2 PHE 38 HD2 PHE 38 -19.493 9.488 9.488
279 HE1 PHE 38 HE1 PHE 38 -16.573 13.470 13.470
280 HE2 PHE 38 HE2 PHE 38 -18.320 9.980 9.980
281 HZ PHE 38 HZ PHE 38 -16.856 11.967 11.967
282 H ILE 39 HN ILE 39 -21.057 11.871 11.871
283 HA ILE 39 HA ILE 39 -22.633 14.223 14.223
284 HB ILE 39 HB ILE 39 -22.764 13.693 13.693
285 1HG1 ILE 39 HG12 ILE 39 -21.242 11.188 11.188
286 2HG1 ILE 39 HG11 ILE 39 -20.249 12.569 12.569
287 1HG2 ILE 39 HG21 ILE 39 -23.586 12.187 12.187
288 2HG2 ILE 39 HG23 ILE 39 -23.193 11.049 11.049
289 3HG2 ILE 39 HG22 ILE 39 -24.386 12.318 12.318
290 1HD1 ILE 39 HD12 ILE 39 -22.595 11.777 11.777
291 2HD1 ILE 39 HD11 ILE 39 -20.943 11.225 11.225
292 3HD1 ILE 39 HD13 ILE 39 -21.328 12.943 12.943
293 H THR 40 HN THR 40 -19.339 13.796 13.796
294 HA THR 40 HA THR 40 -19.428 16.673 16.673
295 HB THR 40 HB THR 40 -17.388 14.517 14.517
296 HG1 THR 40 HG1 THR 40 -19.678 15.362 15.362
297 1HG2 THR 40 HG23 THR 40 -17.358 17.280 17.280
298 2HG2 THR 40 HG22 THR 40 -17.855 16.595 16.595
299 3HG2 THR 40 HG21 THR 40 -16.341 16.082 16.082
300 H LYS 41 HN LYS 41 -17.980 18.160 18.160
301 HA LYS 41 HA LYS 41 -16.785 17.525 17.525
302 1HB LYS 41 HB2 LYS 41 -16.767 19.926 19.926
303 2HB LYS 41 HB1 LYS 41 -16.011 19.927 19.927
304 1HG LYS 41 HG2 LYS 41 -18.893 19.280 19.280
305 2HG LYS 41 HG1 LYS 41 -18.342 20.810 20.810
306 1HD LYS 41 HD2 LYS 41 -18.905 19.674 19.674
307 2HD LYS 41 HD1 LYS 41 -17.229 19.169 19.169
308 1HE LYS 41 HE2 LYS 41 -18.558 17.231 17.231
309 2HE LYS 41 HE1 LYS 41 -19.723 17.568 17.568
310 1HZ LYS 41 HZ3 LYS 41 -16.816 17.216 17.216
311 2HZ LYS 41 HZ2 LYS 41 -17.850 15.876 15.876
312 3HZ LYS 41 HZ1 LYS 41 -18.090 17.023 17.023
313 H GLY 42 HN GLY 42 -15.662 17.123 17.123
314 1HA GLY 42 HA2 GLY 42 -12.832 17.558 17.558
315 2HA GLY 42 HA1 GLY 42 -13.496 16.752 16.752
316 H LEU 43 HN LEU 43 -15.039 15.226 15.226
317 HA LEU 43 HA LEU 43 -14.756 13.210 13.210
318 1HB LEU 43 HB2 LEU 43 -11.772 13.773 13.773
319 2HB LEU 43 HB1 LEU 43 -12.684 12.821 12.821
320 HG LEU 43 HG LEU 43 -13.052 15.793 15.793
321 1HD1 LEU 43 HD11 LEU 43 -10.863 14.417 14.417
322 2HD1 LEU 43 HD13 LEU 43 -11.784 14.757 14.757
323 3HD1 LEU 43 HD12 LEU 43 -11.295 16.079 16.079
324 1HD2 LEU 43 HD21 LEU 43 -15.022 14.480 14.480
325 2HD2 LEU 43 HD23 LEU 43 -14.388 15.577 15.577
326 3HD2 LEU 43 HD22 LEU 43 -14.029 13.852 13.852
327 H GLY 44 HN GLY 44 -14.993 13.137 13.137
328 1HA GLY 44 HA2 GLY 44 -14.728 11.604 11.604
329 2HA GLY 44 HA1 GLY 44 -14.344 10.440 10.440
330 H ILE 45 HN ILE 45 -12.377 13.309 13.309
331 HA ILE 45 HA ILE 45 -9.984 11.730 11.730
332 HB ILE 45 HB ILE 45 -9.015 14.037 14.037
333 1HG1 ILE 45 HG12 ILE 45 -10.966 15.704 15.704
334 2HG1 ILE 45 HG11 ILE 45 -11.891 14.683 14.683
335 1HG2 ILE 45 HG22 ILE 45 -10.451 13.342 13.342
336 2HG2 ILE 45 HG21 ILE 45 -9.618 14.889 14.889
337 3HG2 ILE 45 HG23 ILE 45 -8.719 13.384 13.384
338 1HD1 ILE 45 HD12 ILE 45 -9.733 15.259 15.259
339 2HD1 ILE 45 HD11 ILE 45 -9.659 16.641 16.641
340 3HD1 ILE 45 HD13 ILE 45 -11.100 16.367 16.367
341 H SER 46 HN SER 46 -11.637 13.877 13.877
342 HA SER 46 HA SER 46 -11.324 11.995 11.995
343 1HB SER 46 HB2 SER 46 -8.912 12.882 12.882
344 2HB SER 46 HB1 SER 46 -9.448 14.347 14.347
345 HG SER 46 HG SER 46 -9.149 11.753 11.753
346 H TYR 47 HN TYR 47 -13.276 14.095 14.095
347 HA TYR 47 HA TYR 47 -13.430 16.181 16.181
348 1HB TYR 47 HB2 TYR 47 -15.491 16.773 16.773
349 2HB TYR 47 HB1 TYR 47 -14.224 16.390 16.390
350 HD1 TYR 47 HD1 TYR 47 -17.176 14.908 14.908
351 HD2 TYR 47 HD2 TYR 47 -14.470 14.689 14.689
352 HE1 TYR 47 HE1 TYR 47 -18.596 13.174 13.174
353 HE2 TYR 47 HE2 TYR 47 -15.875 12.963 12.963
354 HH TYR 47 HH TYR 47 -18.839 12.425 12.425
355 H GLY 48 HN GLY 48 -14.359 12.877 12.877
356 1HA GLY 48 HA2 GLY 48 -15.167 11.852 11.852
357 2HA GLY 48 HA1 GLY 48 -16.178 13.273 13.273
358 H ARG 49 HN ARG 49 -15.629 10.679 10.679
359 HA ARG 49 HA ARG 49 -18.164 10.999 10.999
360 1HB ARG 49 HB2 ARG 49 -16.199 8.718 8.718
361 2HB ARG 49 HB1 ARG 49 -17.493 8.901 8.901
362 1HG ARG 49 HG2 ARG 49 -16.387 10.829 10.829
363 2HG ARG 49 HG1 ARG 49 -15.200 10.855 10.855
364 1HD ARG 49 HD2 ARG 49 -14.136 9.827 9.827
365 2HD ARG 49 HD1 ARG 49 -14.596 8.479 8.479
366 HE ARG 49 HE ARG 49 -16.493 9.392 9.392
367 1HH1 ARG 49 HH21 ARG 49 -17.908 7.357 7.357
368 2HH1 ARG 49 HH22 ARG 49 -17.068 5.893 5.893
369 1HH2 ARG 49 HH11 ARG 49 -13.916 7.342 7.342
370 2HH2 ARG 49 HH12 ARG 49 -14.803 5.884 5.884
371 H LYS 50 HN LYS 50 -19.846 9.380 9.380
372 HA LYS 50 HA LYS 50 -20.192 8.014 8.014
373 1HB LYS 50 HB2 LYS 50 -22.631 8.507 8.507
374 2HB LYS 50 HB1 LYS 50 -21.644 9.954 9.954
375 1HG LYS 50 HG2 LYS 50 -22.118 8.844 8.844
376 2HG LYS 50 HG1 LYS 50 -23.424 9.693 9.693
377 1HD LYS 50 HD2 LYS 50 -20.832 11.098 11.098
378 2HD LYS 50 HD1 LYS 50 -21.306 10.791 10.791
379 1HE LYS 50 HE2 LYS 50 -22.167 12.883 12.883
380 2HE LYS 50 HE1 LYS 50 -23.587 11.798 11.798
381 1HZ LYS 50 HZ1 LYS 50 -21.943 12.355 12.355
382 2HZ LYS 50 HZ3 LYS 50 -23.401 13.155 13.155
383 3HZ LYS 50 HZ2 LYS 50 -23.397 11.479 11.479
384 H LYS 51 HN LYS 51 -20.464 7.867 7.867
385 HA LYS 51 HA LYS 51 -20.109 5.219 5.219
386 1HB LYS 51 HB2 LYS 51 -22.548 4.561 4.561
387 2HB LYS 51 HB1 LYS 51 -21.864 4.266 4.266
388 1HG LYS 51 HG2 LYS 51 -23.471 5.831 5.831
389 2HG LYS 51 HG1 LYS 51 -23.068 6.985 6.985
390 1HD LYS 51 HD2 LYS 51 -24.407 4.833 4.833
391 2HD LYS 51 HD1 LYS 51 -25.294 5.180 5.180
392 1HE LYS 51 HE2 LYS 51 -25.165 7.648 7.648
393 2HE LYS 51 HE1 LYS 51 -24.570 7.070 7.070
394 1HZ LYS 51 HZ1 LYS 51 -27.060 6.043 6.043
395 2HZ LYS 51 HZ3 LYS 51 -27.083 7.265 7.265
396 3HZ LYS 51 HZ2 LYS 51 -26.529 5.712 5.712
397 H ARG 52 HN ARG 52 -22.003 4.532 4.532
398 HA ARG 52 HA ARG 52 -21.709 6.644 6.644
399 1HB ARG 52 HB2 ARG 52 -22.831 3.840 3.840
400 2HB ARG 52 HB1 ARG 52 -22.922 4.821 4.821
401 1HG ARG 52 HG2 ARG 52 -20.792 4.133 4.133
402 2HG ARG 52 HG1 ARG 52 -20.336 5.143 5.143
403 1HD ARG 52 HD2 ARG 52 -19.389 2.991 2.991
404 2HD ARG 52 HD1 ARG 52 -20.495 3.512 3.512
405 HE ARG 52 HE ARG 52 -22.220 1.992 1.992
406 1HH1 ARG 52 HH21 ARG 52 -22.498 1.317 1.317
407 2HH1 ARG 52 HH22 ARG 52 -21.380 0.067 0.067
408 1HH2 ARG 52 HH11 ARG 52 -19.319 0.587 0.587
409 2HH2 ARG 52 HH12 ARG 52 -19.577 -0.347 -0.347
410 H ARG 53 HN ARG 53 -23.130 8.334 8.334
411 HA ARG 53 HA ARG 53 -25.820 7.983 7.983
412 1HB ARG 53 HB2 ARG 53 -24.219 10.048 10.048
413 2HB ARG 53 HB1 ARG 53 -24.857 10.285 10.285
414 1HG ARG 53 HG2 ARG 53 -26.881 9.795 9.795
415 2HG ARG 53 HG1 ARG 53 -25.990 11.301 11.301
416 1HD ARG 53 HD2 ARG 53 -26.676 12.059 12.059
417 2HD ARG 53 HD1 ARG 53 -27.276 10.479 10.479
418 HE ARG 53 HE ARG 53 -28.485 12.208 12.208
419 1HH1 ARG 53 HH11 ARG 53 -28.724 9.027 9.027
420 2HH1 ARG 53 HH12 ARG 53 -30.355 8.960 8.960
421 1HH2 ARG 53 HH21 ARG 53 -30.563 12.373 12.373
422 2HH2 ARG 53 HH22 ARG 53 -31.398 10.856 10.856
423 H GLN 54 HN GLN 54 -24.458 7.269 7.269
424 HA GLN 54 HA GLN 54 -26.524 8.028 8.028
425 1HB GLN 54 HB2 GLN 54 -24.796 5.549 5.549
426 2HB GLN 54 HB1 GLN 54 -25.394 6.688 6.688
427 1HG GLN 54 HG2 GLN 54 -23.427 7.817 7.817
428 2HG GLN 54 HG1 GLN 54 -23.781 8.248 8.248
429 1HE2 GLN 54 HE22 GLN 54 -20.979 6.611 6.611
430 2HE2 GLN 54 HE21 GLN 54 -21.888 8.053 8.053
431 H ARG 55 HN ARG 55 -25.957 5.065 5.065
432 HA ARG 55 HA ARG 55 -27.383 3.284 3.284
433 1HB ARG 55 HB2 ARG 55 -29.437 5.460 5.460
434 2HB ARG 55 HB1 ARG 55 -29.787 3.932 3.932
435 1HG ARG 55 HG2 ARG 55 -28.417 4.448 4.448
436 2HG ARG 55 HG1 ARG 55 -27.689 5.824 5.824
437 1HD ARG 55 HD2 ARG 55 -29.364 6.686 6.686
438 2HD ARG 55 HD1 ARG 55 -29.986 6.891 6.891
439 HE ARG 55 HE ARG 55 -30.711 4.291 4.291
440 1HH1 ARG 55 HH11 ARG 55 -32.202 6.799 6.799
441 2HH1 ARG 55 HH12 ARG 55 -33.518 6.941 6.941
442 1HH2 ARG 55 HH21 ARG 55 -32.091 4.832 4.832
443 2HH2 ARG 55 HH22 ARG 55 -33.456 5.824 5.824
444 H ARG 56 HN ARG 56 -26.503 3.696 3.696
445 HA ARG 56 HA ARG 56 -28.181 1.635 1.635
446 1HB ARG 56 HB2 ARG 56 -29.085 3.003 3.003
447 2HB ARG 56 HB1 ARG 56 -29.446 3.824 3.824
448 1HG ARG 56 HG2 ARG 56 -27.014 4.935 4.935
449 2HG ARG 56 HG1 ARG 56 -27.568 4.559 4.559
450 1HD ARG 56 HD2 ARG 56 -29.815 5.639 5.639
451 2HD ARG 56 HD1 ARG 56 -28.667 6.451 6.451
452 HE ARG 56 HE ARG 56 -27.744 6.434 6.434
453 1HH1 ARG 56 HH21 ARG 56 -26.866 8.696 8.696
454 2HH1 ARG 56 HH22 ARG 56 -27.993 9.955 9.955
455 1HH2 ARG 56 HH11 ARG 56 -30.431 7.782 7.782
456 2HH2 ARG 56 HH12 ARG 56 -30.017 9.436 9.436
457 H ARG 57 HN ARG 57 -25.341 1.993 1.993
458 HA ARG 57 HA ARG 57 -23.734 2.736 2.736
459 1HB ARG 57 HB2 ARG 57 -23.121 2.147 2.147
460 2HB ARG 57 HB1 ARG 57 -23.145 0.451 0.451
461 1HG ARG 57 HG2 ARG 57 -20.894 1.136 1.136
462 2HG ARG 57 HG1 ARG 57 -21.554 1.171 1.171
463 1HD ARG 57 HD2 ARG 57 -21.509 3.433 3.433
464 2HD ARG 57 HD1 ARG 57 -21.843 3.698 3.698
465 HE ARG 57 HE ARG 57 -19.174 3.089 3.089
466 1HH1 ARG 57 HH21 ARG 57 -19.159 1.488 1.488
467 2HH1 ARG 57 HH22 ARG 57 -18.724 2.601 2.601
468 1HH2 ARG 57 HH11 ARG 57 -19.475 5.424 5.424
469 2HH2 ARG 57 HH12 ARG 57 -18.901 4.835 4.835
470 HA PRO 58 HA PRO 58 -24.074 -1.852 -1.852
471 1HB PRO 58 HB2 PRO 58 -26.305 -3.246 -3.246
472 2HB PRO 58 HB1 PRO 58 -24.774 -3.270 -3.270
473 1HG PRO 58 HG2 PRO 58 -27.249 -1.686 -1.686
474 2HG PRO 58 HG1 PRO 58 -26.185 -2.528 -2.528
475 1HD PRO 58 HD2 PRO 58 -26.182 0.083 0.083
476 2HD PRO 58 HD1 PRO 58 -24.709 -0.734 -0.734
477 H SER 59 HN SER 59 -26.842 0.291 0.291
478 HA SER 59 HA SER 59 -28.054 -0.669 -0.669
479 1HB SER 59 HB2 SER 59 -28.816 1.292 1.292
480 2HB SER 59 HB1 SER 59 -29.730 1.162 1.162
481 HG SER 59 HG SER 59 -29.552 -0.600 -0.600
482 H GLN 60 HN GLN 60 -28.147 0.676 0.676
483 HA GLN 60 HA GLN 60 -26.898 3.345 3.345
484 1HB GLN 60 HB2 GLN 60 -25.144 2.816 2.816
485 2HB GLN 60 HB1 GLN 60 -25.072 1.607 1.607
486 1HG GLN 60 HG2 GLN 60 -26.417 1.258 1.258
487 2HG GLN 60 HG1 GLN 60 -24.793 0.801 0.801
488 1HE2 GLN 60 HE22 GLN 60 -26.093 -1.690 -1.690
489 2HE2 GLN 60 HE21 GLN 60 -25.202 -0.246 -0.246
490 H GLY 61 HN GLY 61 -28.194 0.859 0.859
491 1HA GLY 61 HA2 GLY 61 -30.004 1.097 1.097
492 2HA GLY 61 HA1 GLY 61 -29.950 2.878 2.878
493 H GLY 62 HN GLY 62 -27.415 0.555 0.555
494 1HA GLY 62 HA2 GLY 62 -25.821 0.650 0.650
495 2HA GLY 62 HA1 GLY 62 -27.123 1.349 1.349
496 H GLN 63 HN GLN 63 -26.057 2.816 2.816
497 HA GLN 63 HA GLN 63 -25.585 5.305 5.305
498 1HB GLN 63 HB2 GLN 63 -26.743 5.102 5.102
499 2HB GLN 63 HB1 GLN 63 -25.116 4.579 4.579
500 1HG GLN 63 HG2 GLN 63 -24.579 6.629 6.629
501 2HG GLN 63 HG1 GLN 63 -24.543 6.860 6.860
502 1HE2 GLN 63 HE22 GLN 63 -27.432 8.828 8.828
503 2HE2 GLN 63 HE21 GLN 63 -26.145 8.054 8.054
504 H THR 64 HN THR 64 -23.634 2.632 2.632
505 HA THR 64 HA THR 64 -21.287 2.337 2.337
506 HB THR 64 HB THR 64 -21.170 5.230 5.230
507 HG1 THR 64 HG1 THR 64 -21.939 4.727 4.727
508 1HG2 THR 64 HG23 THR 64 -19.486 2.792 2.792
509 2HG2 THR 64 HG22 THR 64 -19.254 4.354 4.354
510 3HG2 THR 64 HG21 THR 64 -19.023 4.197 4.197
511 H HIS 65 HN HIS 65 -22.509 2.765 2.765
512 HA HIS 65 HA HIS 65 -21.641 5.017 5.017
513 1HB HIS 65 HB2 HIS 65 -23.222 2.586 2.586
514 2HB HIS 65 HB1 HIS 65 -22.511 2.910 2.910
515 HD1 HIS 65 HD1 HIS 65 -25.213 3.191 3.191
516 HD2 HIS 65 HD2 HIS 65 -23.218 6.256 6.256
517 HE1 HIS 65 HE1 HIS 65 -26.756 5.191 5.191
518 H GLN 66 HN GLN 66 -19.503 3.008 3.008
519 HA GLN 66 HA GLN 66 -17.338 2.358 2.358
520 1HB GLN 66 HB2 GLN 66 -18.064 4.176 4.176
521 2HB GLN 66 HB1 GLN 66 -16.420 3.523 3.523
522 1HG GLN 66 HG2 GLN 66 -16.028 5.232 5.232
523 2HG GLN 66 HG1 GLN 66 -17.204 4.548 4.548
524 1HE2 GLN 66 HE22 GLN 66 -19.841 6.758 6.758
525 2HE2 GLN 66 HE21 GLN 66 -19.540 5.240 5.240
526 H ASP 67 HN ASP 67 -18.948 2.343 2.343
527 HA ASP 67 HA ASP 67 -17.516 -0.031 -0.031
528 1HB ASP 67 HB2 ASP 67 -18.189 1.757 1.757
529 2HB ASP 67 HB1 ASP 67 -19.884 1.474 1.474
530 HA PRO 68 HA PRO 68 -21.712 -2.240 -2.240
531 1HB PRO 68 HB2 PRO 68 -23.642 -1.136 -1.136
532 2HB PRO 68 HB1 PRO 68 -23.474 -0.803 -0.803
533 1HG PRO 68 HG2 PRO 68 -22.635 0.948 0.948
534 2HG PRO 68 HG1 PRO 68 -23.242 1.435 1.435
535 1HD PRO 68 HD2 PRO 68 -20.701 1.297 1.297
536 2HD PRO 68 HD1 PRO 68 -21.185 1.664 1.664
537 H ILE 69 HN ILE 69 -20.835 -0.385 -0.385
538 HA ILE 69 HA ILE 69 -21.040 -2.963 -2.963
539 HB ILE 69 HB ILE 69 -22.141 -1.835 -1.835
540 1HG1 ILE 69 HG12 ILE 69 -20.750 0.012 0.012
541 2HG1 ILE 69 HG11 ILE 69 -22.185 0.811 0.811
542 1HG2 ILE 69 HG22 ILE 69 -23.313 -1.707 -1.707
543 2HG2 ILE 69 HG21 ILE 69 -23.011 0.027 0.027
544 3HG2 ILE 69 HG23 ILE 69 -23.989 -0.811 -0.811
545 1HD1 ILE 69 HD13 ILE 69 -19.833 0.330 0.330
546 2HD1 ILE 69 HD12 ILE 69 -20.192 1.822 1.822
547 3HD1 ILE 69 HD11 ILE 69 -21.320 1.218 1.218
548 HA PRO 70 HA PRO 70 -16.830 -0.750 -0.750
549 1HB PRO 70 HB2 PRO 70 -15.293 -2.466 -2.466
550 2HB PRO 70 HB1 PRO 70 -15.923 -0.937 -0.937
551 1HG PRO 70 HG2 PRO 70 -16.925 -3.761 -3.761
552 2HG PRO 70 HG1 PRO 70 -16.878 -2.483 -2.483
553 1HD PRO 70 HD2 PRO 70 -19.154 -3.165 -3.165
554 2HD PRO 70 HD1 PRO 70 -18.807 -1.473 -1.473
555 H LYS 71 HN LYS 71 -18.204 -3.877 -3.877
556 HA LYS 71 HA LYS 71 -15.989 -5.089 -5.089
557 1HB LYS 71 HB2 LYS 71 -17.636 -6.964 -6.964
558 2HB LYS 71 HB1 LYS 71 -17.378 -6.436 -6.436
559 1HG LYS 71 HG2 LYS 71 -19.557 -4.855 -4.855
560 2HG LYS 71 HG1 LYS 71 -19.810 -6.444 -6.444
561 1HD LYS 71 HD2 LYS 71 -20.904 -6.509 -6.509
562 2HD LYS 71 HD1 LYS 71 -19.438 -7.460 -7.460
563 1HE LYS 71 HE2 LYS 71 -18.413 -5.435 -5.435
564 2HE LYS 71 HE1 LYS 71 -19.924 -4.550 -4.550
565 1HZ LYS 71 HZ1 LYS 71 -19.697 -7.104 -7.104
566 2HZ LYS 71 HZ3 LYS 71 -19.899 -5.574 -5.574
567 3HZ LYS 71 HZ2 LYS 71 -21.128 -6.228 -6.228
568 H GLN 72 HN GLN 72 -19.155 -3.606 -3.606
569 HA GLN 72 HA GLN 72 -18.375 -3.018 -3.018
570 1HB GLN 72 HB2 GLN 72 -20.539 -4.569 -4.569
571 2HB GLN 72 HB1 GLN 72 -18.865 -5.142 -5.142
572 1HG GLN 72 HG2 GLN 72 -20.022 -6.769 -6.769
573 2HG GLN 72 HG1 GLN 72 -19.239 -5.971 -5.971
574 1HE2 GLN 72 HE22 GLN 72 -22.543 -4.585 -4.585
575 2HE2 GLN 72 HE21 GLN 72 -20.903 -4.146 -4.146
576 HA PRO 73 HA PRO 73 -21.750 -0.199 -0.199
577 1HB PRO 73 HB2 PRO 73 -22.961 -0.245 -0.245
578 2HB PRO 73 HB1 PRO 73 -21.367 0.498 0.498
579 1HG PRO 73 HG2 PRO 73 -21.978 -2.217 -2.217
580 2HG PRO 73 HG1 PRO 73 -20.812 -1.007 -1.007
581 1HD PRO 73 HD2 PRO 73 -20.112 -3.139 -3.139
582 2HD PRO 73 HD1 PRO 73 -19.274 -1.576 -1.576
583 H SER 74 HN SER 74 -22.716 -3.189 -3.189
584 HA SER 74 HA SER 74 -24.574 -4.601 -4.601
585 1HB SER 74 HB2 SER 74 -23.258 -4.253 -4.253
586 2HB SER 74 HB1 SER 74 -24.771 -3.677 -3.677
587 HG SER 74 HG SER 74 -25.764 -5.516 -5.516
588 H SER 75 HN SER 75 -25.242 -1.983 -1.983
589 HA SER 75 HA SER 75 -28.063 -1.947 -1.947
590 1HB SER 75 HB2 SER 75 -26.741 -0.966 -0.966
591 2HB SER 75 HB1 SER 75 -27.520 0.405 0.405
592 HG SER 75 HG SER 75 -29.427 -0.431 -0.431
593 H GLN 76 HN GLN 76 -25.079 -0.121 -0.121
594 HA GLN 76 HA GLN 76 -26.423 1.960 1.960
595 1HB GLN 76 HB2 GLN 76 -23.518 1.465 1.465
596 2HB GLN 76 HB1 GLN 76 -24.243 2.894 2.894
597 1HG GLN 76 HG2 GLN 76 -24.461 3.724 3.724
598 2HG GLN 76 HG1 GLN 76 -25.847 2.656 2.656
599 1HE2 GLN 76 HE22 GLN 76 -24.278 0.551 0.551
600 2HE2 GLN 76 HE21 GLN 76 -25.664 0.858 0.858
601 HA PRO 77 HA PRO 77 -23.798 -0.376 -0.376
602 1HB PRO 77 HB2 PRO 77 -23.651 -3.112 -3.112
603 2HB PRO 77 HB1 PRO 77 -22.394 -2.030 -2.030
604 1HG PRO 77 HG2 PRO 77 -24.618 -3.398 -3.398
605 2HG PRO 77 HG1 PRO 77 -22.980 -3.033 -3.033
606 1HD PRO 77 HD2 PRO 77 -25.305 -1.728 -1.728
607 2HD PRO 77 HD1 PRO 77 -23.691 -1.119 -1.119
608 H ARG 78 HN ARG 78 -26.592 -1.713 -1.713
609 HA ARG 78 HA ARG 78 -27.832 -2.352 -2.352
610 1HB ARG 78 HB2 ARG 78 -29.015 -4.155 -4.155
611 2HB ARG 78 HB1 ARG 78 -27.247 -4.301 -4.301
612 1HG ARG 78 HG2 ARG 78 -27.459 -3.036 -3.036
613 2HG ARG 78 HG1 ARG 78 -29.192 -3.213 -3.213
614 1HD ARG 78 HD2 ARG 78 -28.922 -5.680 -5.680
615 2HD ARG 78 HD1 ARG 78 -27.169 -5.473 -5.473
616 HE ARG 78 HE ARG 78 -28.483 -3.945 -3.945
617 1HH1 ARG 78 HH21 ARG 78 -26.298 -5.649 -5.649
618 2HH1 ARG 78 HH22 ARG 78 -27.071 -6.964 -6.964
619 1HH2 ARG 78 HH11 ARG 78 -30.204 -6.315 -6.315
620 2HH2 ARG 78 HH12 ARG 78 -29.290 -7.342 -7.342
621 H GLY 79 HN GLY 79 -28.330 -0.996 -0.996
622 1HA GLY 79 HA2 GLY 79 -31.148 -0.308 -0.308
623 2HA GLY 79 HA1 GLY 79 -30.197 0.047 0.047
624 H ASP 80 HN ASP 80 -29.858 2.160 2.160
625 HA ASP 80 HA ASP 80 -30.210 4.115 4.115
626 1HB ASP 80 HB2 ASP 80 -29.350 4.220 4.220
627 2HB ASP 80 HB1 ASP 80 -29.548 5.668 5.668
628 HA PRO 81 HA PRO 81 -25.893 3.703 3.703
629 1HB PRO 81 HB2 PRO 81 -26.038 5.506 5.506
630 2HB PRO 81 HB1 PRO 81 -26.603 3.825 3.825
631 1HG PRO 81 HG2 PRO 81 -28.168 6.323 6.323
632 2HG PRO 81 HG1 PRO 81 -28.533 4.964 4.964
633 1HD PRO 81 HD2 PRO 81 -29.682 5.234 5.234
634 2HD PRO 81 HD1 PRO 81 -29.315 3.643 3.643
635 H THR 82 HN THR 82 -24.673 4.732 4.732
636 HA THR 82 HA THR 82 -25.095 7.552 7.552
637 HB THR 82 HB THR 82 -22.677 6.020 6.020
638 HG1 THR 82 HG1 THR 82 -25.346 5.500 5.500
639 1HG2 THR 82 HG23 THR 82 -23.223 8.303 8.303
640 2HG2 THR 82 HG22 THR 82 -24.758 7.692 7.692
641 3HG2 THR 82 HG21 THR 82 -23.239 7.102 7.102
642 H GLY 83 HN GLY 83 -22.322 5.694 5.694
643 1HA GLY 83 HA2 GLY 83 -21.689 7.953 7.953
644 2HA GLY 83 HA1 GLY 83 -20.534 7.709 7.709
645 HA PRO 84 HA PRO 84 -18.947 4.646 4.646
646 1HB PRO 84 HB2 PRO 84 -16.657 4.123 4.123
647 2HB PRO 84 HB1 PRO 84 -16.934 5.631 5.631
648 1HG PRO 84 HG2 PRO 84 -16.857 5.178 5.178
649 2HG PRO 84 HG1 PRO 84 -16.843 6.709 6.709
650 1HD PRO 84 HD2 PRO 84 -19.024 5.224 5.224
651 2HD PRO 84 HD1 PRO 84 -19.070 6.921 6.921
652 H LYS 85 HN LYS 85 -20.400 3.772 3.772
653 HA LYS 85 HA LYS 85 -19.277 1.051 1.051
654 1HB LYS 85 HB2 LYS 85 -20.928 0.871 0.871
655 2HB LYS 85 HB1 LYS 85 -20.250 2.489 2.489
656 1HG LYS 85 HG2 LYS 85 -22.287 2.874 2.874
657 2HG LYS 85 HG1 LYS 85 -22.853 1.916 1.916
658 1HD LYS 85 HD2 LYS 85 -21.173 4.494 4.494
659 2HD LYS 85 HD1 LYS 85 -22.922 4.355 4.355
660 1HE LYS 85 HE2 LYS 85 -22.673 3.835 3.835
661 2HE LYS 85 HE1 LYS 85 -21.570 2.498 2.498
662 1HZ LYS 85 HZ1 LYS 85 -19.883 4.339 4.339
663 2HZ LYS 85 HZ3 LYS 85 -20.983 5.387 5.387
664 3HZ LYS 85 HZ2 LYS 85 -20.332 4.079 4.079
665 H GLU 86 HN GLU 86 -21.318 2.392 2.392
666 HA GLU 86 HA GLU 86 -23.529 0.531 0.531
667 1HB GLU 86 HB2 GLU 86 -22.242 2.330 2.330
668 2HB GLU 86 HB1 GLU 86 -23.810 1.510 1.510
669 1HG GLU 86 HG2 GLU 86 -24.647 2.661 2.661
670 2HG GLU 86 HG1 GLU 86 -23.078 3.504 3.504
Start of MODEL 10
1 1H LEU 1 HT2 LEU 1 -23.877 21.268 21.268
2 2H LEU 1 HT1 LEU 1 -22.568 21.808 21.808
3 3H LEU 1 HT3 LEU 1 -24.107 21.664 21.664
4 HA LEU 1 HA LEU 1 -22.903 19.786 19.786
5 1HB LEU 1 HB2 LEU 1 -21.591 18.453 18.453
6 2HB LEU 1 HB1 LEU 1 -21.131 20.156 20.156
7 HG LEU 1 HG LEU 1 -23.286 19.721 19.721
8 1HD1 LEU 1 HD11 LEU 1 -21.169 17.571 17.571
9 2HD1 LEU 1 HD13 LEU 1 -22.111 18.030 18.030
10 3HD1 LEU 1 HD12 LEU 1 -22.921 17.373 17.373
11 1HD2 LEU 1 HD21 LEU 1 -20.315 20.053 20.053
12 2HD2 LEU 1 HD23 LEU 1 -21.470 21.364 21.364
13 3HD2 LEU 1 HD22 LEU 1 -21.593 20.334 20.334
14 H ASP 2 HN ASP 2 -23.622 17.495 17.495
15 HA ASP 2 HA ASP 2 -25.398 15.954 15.954
16 1HB ASP 2 HB2 ASP 2 -24.305 16.250 16.250
17 2HB ASP 2 HB1 ASP 2 -25.844 17.067 17.067
18 HA PRO 3 HA PRO 3 -28.661 19.198 19.198
19 1HB PRO 3 HB2 PRO 3 -28.858 19.279 19.279
20 2HB PRO 3 HB1 PRO 3 -27.708 20.255 20.255
21 1HG PRO 3 HG2 PRO 3 -27.213 17.886 17.886
22 2HG PRO 3 HG1 PRO 3 -26.116 19.188 19.188
23 1HD PRO 3 HD2 PRO 3 -26.424 16.576 16.576
24 2HD PRO 3 HD1 PRO 3 -25.212 17.770 17.770
25 H VAL 4 HN VAL 4 -29.037 17.273 17.273
26 HA VAL 4 HA VAL 4 -31.534 16.059 16.059
27 HB VAL 4 HB VAL 4 -29.669 15.849 15.849
28 1HG1 VAL 4 HG12 VAL 4 -31.520 13.796 13.796
29 2HG1 VAL 4 HG11 VAL 4 -32.172 14.667 14.667
30 3HG1 VAL 4 HG13 VAL 4 -30.563 13.950 13.950
31 1HG2 VAL 4 HG21 VAL 4 -31.210 17.825 17.825
32 2HG2 VAL 4 HG23 VAL 4 -31.388 17.027 17.027
33 3HG2 VAL 4 HG22 VAL 4 -32.558 16.723 16.723
34 H ASP 5 HN ASP 5 -28.385 14.797 14.797
35 HA ASP 5 HA ASP 5 -28.249 12.907 12.907
36 1HB ASP 5 HB2 ASP 5 -28.806 12.191 12.191
37 2HB ASP 5 HB1 ASP 5 -27.664 11.140 11.140
38 HA PRO 6 HA PRO 6 -24.029 13.632 13.632
39 1HB PRO 6 HB2 PRO 6 -23.570 13.495 13.495
40 2HB PRO 6 HB1 PRO 6 -23.779 12.028 12.028
41 1HG PRO 6 HG2 PRO 6 -25.681 13.200 13.200
42 2HG PRO 6 HG1 PRO 6 -25.589 11.521 11.521
43 1HD PRO 6 HD2 PRO 6 -27.256 13.752 13.752
44 2HD PRO 6 HD1 PRO 6 -27.265 12.024 12.024
45 H ASN 7 HN ASN 7 -22.735 15.382 15.382
46 HA ASN 7 HA ASN 7 -24.260 17.871 17.871
47 1HB ASN 7 HB2 ASN 7 -21.501 17.138 17.138
48 2HB ASN 7 HB1 ASN 7 -22.100 18.807 18.807
49 1HD2 ASN 7 HD22 ASN 7 -20.911 16.942 16.942
50 2HD2 ASN 7 HD21 ASN 7 -20.853 16.151 16.151
51 H ILE 8 HN ILE 8 -23.057 15.895 15.895
52 HA ILE 8 HA ILE 8 -24.918 17.420 17.420
53 HB ILE 8 HB ILE 8 -23.227 17.655 17.655
54 1HG1 ILE 8 HG12 ILE 8 -22.263 15.336 15.336
55 2HG1 ILE 8 HG11 ILE 8 -21.049 16.585 16.585
56 1HG2 ILE 8 HG23 ILE 8 -21.974 18.126 18.126
57 2HG2 ILE 8 HG22 ILE 8 -21.354 18.782 18.782
58 3HG2 ILE 8 HG21 ILE 8 -22.944 19.266 19.266
59 1HD1 ILE 8 HD11 ILE 8 -21.100 16.538 16.538
60 2HD1 ILE 8 HD13 ILE 8 -21.798 14.937 14.937
61 3HD1 ILE 8 HD12 ILE 8 -20.202 15.312 15.312
62 H GLU 9 HN GLU 9 -24.768 14.573 14.573
63 HA GLU 9 HA GLU 9 -25.293 12.350 12.350
64 1HB GLU 9 HB2 GLU 9 -27.159 14.020 14.020
65 2HB GLU 9 HB1 GLU 9 -26.589 13.531 13.531
66 1HG GLU 9 HG2 GLU 9 -26.888 11.122 11.122
67 2HG GLU 9 HG1 GLU 9 -27.643 11.766 11.766
68 HA PRO 10 HA PRO 10 -22.128 12.158 12.158
69 1HB PRO 10 HB2 PRO 10 -19.939 11.557 11.557
70 2HB PRO 10 HB1 PRO 10 -20.505 13.215 13.215
71 1HG PRO 10 HG2 PRO 10 -20.741 11.504 11.504
72 2HG PRO 10 HG1 PRO 10 -20.503 13.293 13.293
73 1HD PRO 10 HD2 PRO 10 -22.826 11.683 11.683
74 2HD PRO 10 HD1 PRO 10 -22.824 13.447 13.447
75 H TRP 11 HN TRP 11 -23.966 10.120 10.120
76 HA TRP 11 HA TRP 11 -22.239 7.705 7.705
77 1HB TRP 11 HB2 TRP 11 -25.200 8.239 8.239
78 2HB TRP 11 HB1 TRP 11 -24.440 6.705 6.705
79 HD1 TRP 11 HD1 TRP 11 -25.059 10.088 10.088
80 HE1 TRP 11 HE1 TRP 11 -23.971 10.247 10.247
81 HE3 TRP 11 HE3 TRP 11 -22.278 5.806 5.806
82 HZ2 TRP 11 HZ2 TRP 11 -22.155 8.750 8.750
83 HZ3 TRP 11 HZ3 TRP 11 -20.887 5.207 5.207
84 HH2 TRP 11 HH2 TRP 11 -20.822 6.667 6.667
85 H ASN 12 HN ASN 12 -21.974 8.688 8.688
86 HA ASN 12 HA ASN 12 -23.370 6.720 6.720
87 1HB ASN 12 HB2 ASN 12 -23.860 8.777 8.777
88 2HB ASN 12 HB1 ASN 12 -24.905 8.410 8.410
89 1HD2 ASN 12 HD22 ASN 12 -23.822 11.230 11.230
90 2HD2 ASN 12 HD21 ASN 12 -24.527 9.698 9.698
91 H HIS 13 HN HIS 13 -21.529 5.759 5.759
92 HA HIS 13 HA HIS 13 -19.318 7.574 7.574
93 1HB HIS 13 HB2 HIS 13 -19.530 4.833 4.833
94 2HB HIS 13 HB1 HIS 13 -18.192 5.140 5.140
95 HD1 HIS 13 HD1 HIS 13 -16.131 5.698 5.698
96 HD2 HIS 13 HD2 HIS 13 -19.468 7.583 7.583
97 HE1 HIS 13 HE1 HIS 13 -15.264 7.257 7.257
98 HA PRO 14 HA PRO 14 -20.957 6.138 6.138
99 1HB PRO 14 HB2 PRO 14 -19.821 8.337 8.337
100 2HB PRO 14 HB1 PRO 14 -21.469 8.374 8.374
101 1HG PRO 14 HG2 PRO 14 -18.791 9.324 9.324
102 2HG PRO 14 HG1 PRO 14 -20.358 10.087 10.087
103 1HD PRO 14 HD2 PRO 14 -18.899 8.770 8.770
104 2HD PRO 14 HD1 PRO 14 -20.670 8.921 8.921
105 H GLY 15 HN GLY 15 -19.819 5.125 5.125
106 1HA GLY 15 HA2 GLY 15 -16.973 4.730 4.730
107 2HA GLY 15 HA1 GLY 15 -17.895 3.922 3.922
108 H SER 16 HN SER 16 -16.901 7.165 7.165
109 HA SER 16 HA SER 16 -15.910 7.889 7.889
110 1HB SER 16 HB2 SER 16 -18.482 8.044 8.044
111 2HB SER 16 HB1 SER 16 -18.159 9.435 9.435
112 HG SER 16 HG SER 16 -18.383 10.053 10.053
113 H GLN 17 HN GLN 17 -16.437 8.667 8.667
114 HA GLN 17 HA GLN 17 -14.454 10.883 10.883
115 1HB GLN 17 HB2 GLN 17 -16.997 10.501 10.501
116 2HB GLN 17 HB1 GLN 17 -15.773 11.711 11.711
117 1HG GLN 17 HG2 GLN 17 -17.463 11.331 11.331
118 2HG GLN 17 HG1 GLN 17 -17.595 12.636 12.636
119 1HE2 GLN 17 HE22 GLN 17 -15.168 13.191 13.191
120 2HE2 GLN 17 HE21 GLN 17 -16.414 12.026 12.026
121 HA PRO 18 HA PRO 18 -13.495 8.519 8.519
122 1HB PRO 18 HB2 PRO 18 -15.122 6.382 6.382
123 2HB PRO 18 HB1 PRO 18 -15.376 8.027 8.027
124 1HG PRO 18 HG2 PRO 18 -16.660 6.544 6.544
125 2HG PRO 18 HG1 PRO 18 -17.406 7.619 7.619
126 1HD PRO 18 HD2 PRO 18 -16.944 8.414 8.414
127 2HD PRO 18 HD1 PRO 18 -16.788 9.522 9.522
128 H LYS 19 HN LYS 19 -15.174 6.347 6.347
129 HA LYS 19 HA LYS 19 -13.165 4.263 4.263
130 1HB LYS 19 HB2 LYS 19 -15.370 5.126 5.126
131 2HB LYS 19 HB1 LYS 19 -14.372 3.750 3.750
132 1HG LYS 19 HG2 LYS 19 -14.915 3.095 3.095
133 2HG LYS 19 HG1 LYS 19 -16.426 3.901 3.901
134 1HD LYS 19 HD2 LYS 19 -16.960 2.314 2.314
135 2HD LYS 19 HD1 LYS 19 -15.302 1.969 1.969
136 1HE LYS 19 HE2 LYS 19 -15.964 1.223 1.223
137 2HE LYS 19 HE1 LYS 19 -16.786 0.270 0.270
138 1HZ LYS 19 HZ2 LYS 19 -14.668 -0.058 -0.058
139 2HZ LYS 19 HZ1 LYS 19 -13.867 0.848 0.848
140 3HZ LYS 19 HZ3 LYS 19 -14.586 -0.636 -0.636
141 H THR 20 HN THR 20 -13.662 7.221 7.221
142 HA THR 20 HA THR 20 -11.244 6.672 6.672
143 HB THR 20 HB THR 20 -13.170 9.001 9.001
144 HG1 THR 20 HG1 THR 20 -13.268 6.554 6.554
145 1HG2 THR 20 HG23 THR 20 -10.916 7.982 7.982
146 2HG2 THR 20 HG22 THR 20 -12.323 8.557 8.557
147 3HG2 THR 20 HG21 THR 20 -11.488 9.635 9.635
148 H ALA 21 HN ALA 21 -11.306 7.259 7.259
149 HA ALA 21 HA ALA 21 -10.657 9.857 9.857
150 1HB ALA 21 HB2 ALA 21 -9.799 7.105 7.105
151 2HB ALA 21 HB1 ALA 21 -9.150 8.526 8.526
152 3HB ALA 21 HB3 ALA 21 -10.889 8.230 8.230
153 H SER 22 HN SER 22 -8.796 7.835 7.835
154 HA SER 22 HA SER 22 -6.137 8.622 8.622
155 1HB SER 22 HB2 SER 22 -7.177 7.033 7.033
156 2HB SER 22 HB1 SER 22 -7.485 8.474 8.474
157 HG SER 22 HG SER 22 -5.103 7.206 7.206
158 H ASN 23 HN ASN 23 -8.865 10.522 10.522
159 HA ASN 23 HA ASN 23 -7.330 12.697 12.697
160 1HB ASN 23 HB2 ASN 23 -9.465 13.614 13.614
161 2HB ASN 23 HB1 ASN 23 -9.851 11.897 11.897
162 1HD2 ASN 23 HD22 ASN 23 -11.479 12.250 12.250
163 2HD2 ASN 23 HD21 ASN 23 -10.682 11.141 11.141
164 H ARG 24 HN ARG 24 -8.495 11.950 11.950
165 HA ARG 24 HA ARG 24 -7.001 14.311 14.311
166 1HB ARG 24 HB2 ARG 24 -9.865 13.478 13.478
167 2HB ARG 24 HB1 ARG 24 -9.046 14.241 14.241
168 1HG ARG 24 HG2 ARG 24 -8.585 16.221 16.221
169 2HG ARG 24 HG1 ARG 24 -9.001 15.466 15.466
170 1HD ARG 24 HD2 ARG 24 -10.946 16.732 16.732
171 2HD ARG 24 HD1 ARG 24 -11.268 15.035 15.035
172 HE ARG 24 HE ARG 24 -11.191 15.648 15.648
173 1HH1 ARG 24 HH21 ARG 24 -8.733 16.795 16.795
174 2HH1 ARG 24 HH22 ARG 24 -9.006 18.499 18.499
175 1HH2 ARG 24 HH11 ARG 24 -12.048 18.426 18.426
176 2HH2 ARG 24 HH12 ARG 24 -10.887 19.425 19.425
177 H ALA 25 HN ALA 25 -9.015 12.126 12.126
178 HA ALA 25 HA ALA 25 -8.488 10.498 10.498
179 1HB ALA 25 HB1 ALA 25 -7.459 9.580 9.580
180 2HB ALA 25 HB3 ALA 25 -5.920 10.221 10.221
181 3HB ALA 25 HB2 ALA 25 -6.754 8.977 8.977
182 H HIS 26 HN HIS 26 -8.114 12.845 12.845
183 HA HIS 26 HA HIS 26 -5.895 12.432 12.432
184 1HB HIS 26 HB2 HIS 26 -4.989 14.858 14.858
185 2HB HIS 26 HB1 HIS 26 -4.424 13.374 13.374
186 HD1 HIS 26 HD1 HIS 26 -3.788 15.212 15.212
187 HD2 HIS 26 HD2 HIS 26 -7.841 14.383 14.383
188 HE1 HIS 26 HE1 HIS 26 -4.959 16.042 16.042
189 H ALA 27 HN ALA 27 -7.972 15.099 15.099
190 HA ALA 27 HA ALA 27 -8.418 16.071 16.071
191 1HB ALA 27 HB1 ALA 27 -9.284 16.895 16.895
192 2HB ALA 27 HB3 ALA 27 -9.828 17.743 17.743
193 3HB ALA 27 HB2 ALA 27 -8.111 17.699 17.699
194 H LYS 28 HN LYS 28 -9.858 13.814 13.814
195 HA LYS 28 HA LYS 28 -12.643 14.076 14.076
196 1HB LYS 28 HB2 LYS 28 -11.785 12.844 12.844
197 2HB LYS 28 HB1 LYS 28 -10.902 11.839 11.839
198 1HG LYS 28 HG2 LYS 28 -13.526 11.560 11.560
199 2HG LYS 28 HG1 LYS 28 -13.728 11.732 11.732
200 1HD LYS 28 HD2 LYS 28 -12.010 9.693 9.693
201 2HD LYS 28 HD1 LYS 28 -13.476 9.375 9.375
202 1HE LYS 28 HE2 LYS 28 -12.413 9.883 9.883
203 2HE LYS 28 HE1 LYS 28 -11.027 10.634 10.634
204 1HZ LYS 28 HZ1 LYS 28 -10.557 8.517 8.517
205 2HZ LYS 28 HZ3 LYS 28 -11.811 7.784 7.784
206 3HZ LYS 28 HZ2 LYS 28 -10.455 8.403 8.403
207 H LYS 29 HN LYS 29 -10.205 11.674 11.674
208 HA LYS 29 HA LYS 29 -11.880 11.003 11.003
209 1HB LYS 29 HB2 LYS 29 -10.296 9.128 9.128
210 2HB LYS 29 HB1 LYS 29 -10.954 9.216 9.216
211 1HG LYS 29 HG2 LYS 29 -8.472 10.809 10.809
212 2HG LYS 29 HG1 LYS 29 -8.249 9.118 9.118
213 1HD LYS 29 HD2 LYS 29 -9.483 8.598 8.598
214 2HD LYS 29 HD1 LYS 29 -9.284 10.330 10.330
215 1HE LYS 29 HE2 LYS 29 -7.007 10.203 10.203
216 2HE LYS 29 HE1 LYS 29 -6.829 8.797 8.797
217 1HZ LYS 29 HZ1 LYS 29 -8.184 8.806 8.806
218 2HZ LYS 29 HZ3 LYS 29 -6.633 8.187 8.187
219 3HZ LYS 29 HZ2 LYS 29 -7.989 7.454 7.454
220 H SER 30 HN SER 30 -8.945 12.761 12.761
221 HA SER 30 HA SER 30 -7.451 13.938 13.938
222 1HB SER 30 HB2 SER 30 -9.875 14.538 14.538
223 2HB SER 30 HB1 SER 30 -9.572 13.792 13.792
224 HG SER 30 HG SER 30 -8.095 15.337 15.337
225 H ALA 31 HN ALA 31 -7.693 10.874 10.874
226 HA ALA 31 HA ALA 31 -6.707 9.126 9.126
227 1HB ALA 31 HB2 ALA 31 -4.887 10.926 10.926
228 2HB ALA 31 HB1 ALA 31 -5.120 11.297 11.297
229 3HB ALA 31 HB3 ALA 31 -4.585 9.690 9.690
230 H TYR 32 HN TYR 32 -8.711 8.689 8.689
231 HA TYR 32 HA TYR 32 -8.190 8.921 8.921
232 1HB TYR 32 HB2 TYR 32 -10.682 9.873 9.873
233 2HB TYR 32 HB1 TYR 32 -9.373 10.987 10.987
234 HD1 TYR 32 HD1 TYR 32 -10.526 8.580 8.580
235 HD2 TYR 32 HD2 TYR 32 -11.456 12.280 12.280
236 HE1 TYR 32 HE1 TYR 32 -12.113 9.139 9.139
237 HE2 TYR 32 HE2 TYR 32 -13.041 12.841 12.841
238 HH TYR 32 HH TYR 32 -14.439 11.018 11.018
239 H HIS 33 HN HIS 33 -8.243 6.653 6.653
240 HA HIS 33 HA HIS 33 -9.201 4.497 4.497
241 1HB HIS 33 HB2 HIS 33 -8.797 4.589 4.589
242 2HB HIS 33 HB1 HIS 33 -10.191 5.636 5.636
243 HD1 HIS 33 HD1 HIS 33 -9.280 2.058 2.058
244 HD2 HIS 33 HD2 HIS 33 -12.648 4.383 4.383
245 HE1 HIS 33 HE1 HIS 33 -11.152 0.439 0.439
246 H SER 34 HN SER 34 -10.627 6.820 6.820
247 HA SER 34 HA SER 34 -12.611 7.262 7.262
248 1HB SER 34 HB2 SER 34 -12.528 4.319 4.319
249 2HB SER 34 HB1 SER 34 -14.032 4.996 4.996
250 HG SER 34 HG SER 34 -13.001 4.919 4.919
251 H GLN 35 HN GLN 35 -13.891 8.639 8.639
252 HA GLN 35 HA GLN 35 -15.585 7.501 7.501
253 1HB GLN 35 HB2 GLN 35 -14.516 10.305 10.305
254 2HB GLN 35 HB1 GLN 35 -15.359 9.703 9.703
255 1HG GLN 35 HG2 GLN 35 -12.801 8.476 8.476
256 2HG GLN 35 HG1 GLN 35 -12.727 9.729 9.729
257 1HE2 GLN 35 HE22 GLN 35 -13.465 5.924 5.924
258 2HE2 GLN 35 HE21 GLN 35 -12.858 6.397 6.397
259 H VAL 36 HN VAL 36 -15.605 9.230 9.230
260 HA VAL 36 HA VAL 36 -17.391 9.966 9.966
261 HB VAL 36 HB VAL 36 -19.250 8.685 8.685
262 1HG1 VAL 36 HG12 VAL 36 -19.217 9.091 9.091
263 2HG1 VAL 36 HG11 VAL 36 -20.317 7.964 7.964
264 3HG1 VAL 36 HG13 VAL 36 -20.375 9.678 9.678
265 1HG2 VAL 36 HG22 VAL 36 -17.426 7.170 7.170
266 2HG2 VAL 36 HG21 VAL 36 -17.664 6.929 6.929
267 3HG2 VAL 36 HG23 VAL 36 -18.954 6.525 6.525
268 H ALA 37 HN ALA 37 -16.417 11.783 11.783
269 HA ALA 37 HA ALA 37 -17.157 13.559 13.559
270 1HB ALA 37 HB1 ALA 37 -18.483 13.929 13.929
271 2HB ALA 37 HB3 ALA 37 -18.168 15.224 15.224
272 3HB ALA 37 HB2 ALA 37 -16.823 14.361 14.361
273 H PHE 38 HN PHE 38 -18.587 12.130 12.130
274 HA PHE 38 HA PHE 38 -21.472 12.271 12.271
275 1HB PHE 38 HB2 PHE 38 -21.623 10.584 10.584
276 2HB PHE 38 HB1 PHE 38 -20.407 10.203 10.203
277 HD1 PHE 38 HD1 PHE 38 -18.056 10.192 10.192
278 HD2 PHE 38 HD2 PHE 38 -21.016 11.389 11.389
279 HE1 PHE 38 HE1 PHE 38 -16.370 10.056 10.056
280 HE2 PHE 38 HE2 PHE 38 -19.342 11.269 11.269
281 HZ PHE 38 HZ PHE 38 -17.017 10.598 10.598
282 H ILE 39 HN ILE 39 -22.143 12.184 12.184
283 HA ILE 39 HA ILE 39 -22.948 14.850 14.850
284 HB ILE 39 HB ILE 39 -23.586 14.163 14.163
285 1HG1 ILE 39 HG12 ILE 39 -22.458 11.523 11.523
286 2HG1 ILE 39 HG11 ILE 39 -21.141 12.656 12.656
287 1HG2 ILE 39 HG22 ILE 39 -24.109 12.620 12.620
288 2HG2 ILE 39 HG21 ILE 39 -24.028 11.520 11.520
289 3HG2 ILE 39 HG23 ILE 39 -25.156 12.876 12.876
290 1HD1 ILE 39 HD12 ILE 39 -22.349 13.998 13.998
291 2HD1 ILE 39 HD11 ILE 39 -23.317 12.544 12.544
292 3HD1 ILE 39 HD13 ILE 39 -21.570 12.488 12.488
293 H THR 40 HN THR 40 -19.821 13.484 13.484
294 HA THR 40 HA THR 40 -19.376 16.025 16.025
295 HB THR 40 HB THR 40 -17.582 13.592 13.592
296 HG1 THR 40 HG1 THR 40 -19.622 14.101 14.101
297 1HG2 THR 40 HG21 THR 40 -17.296 16.085 16.085
298 2HG2 THR 40 HG23 THR 40 -17.762 14.993 14.993
299 3HG2 THR 40 HG22 THR 40 -16.339 14.638 14.638
300 H LYS 41 HN LYS 41 -17.747 17.481 17.481
301 HA LYS 41 HA LYS 41 -16.790 17.602 17.602
302 1HB LYS 41 HB2 LYS 41 -16.261 19.206 19.206
303 2HB LYS 41 HB1 LYS 41 -15.639 19.649 19.649
304 1HG LYS 41 HG2 LYS 41 -18.537 19.309 19.309
305 2HG LYS 41 HG1 LYS 41 -17.727 20.852 20.852
306 1HD LYS 41 HD2 LYS 41 -18.700 20.461 20.461
307 2HD LYS 41 HD1 LYS 41 -17.115 19.752 19.752
308 1HE LYS 41 HE2 LYS 41 -18.622 17.591 17.591
309 2HE LYS 41 HE1 LYS 41 -19.790 18.511 18.511
310 1HZ LYS 41 HZ1 LYS 41 -17.064 18.102 18.102
311 2HZ LYS 41 HZ3 LYS 41 -17.966 16.680 16.680
312 3HZ LYS 41 HZ2 LYS 41 -18.541 17.914 17.914
313 H GLY 42 HN GLY 42 -15.576 16.134 16.134
314 1HA GLY 42 HA2 GLY 42 -12.756 16.283 16.283
315 2HA GLY 42 HA1 GLY 42 -13.448 15.251 15.251
316 H LEU 43 HN LEU 43 -15.356 14.636 14.636
317 HA LEU 43 HA LEU 43 -15.393 12.922 12.922
318 1HB LEU 43 HB2 LEU 43 -12.450 13.755 13.755
319 2HB LEU 43 HB1 LEU 43 -12.972 12.279 12.279
320 HG LEU 43 HG LEU 43 -14.255 13.403 13.403
321 1HD1 LEU 43 HD13 LEU 43 -14.174 15.824 15.824
322 2HD1 LEU 43 HD12 LEU 43 -14.827 15.816 15.816
323 3HD1 LEU 43 HD11 LEU 43 -15.587 14.841 14.841
324 1HD2 LEU 43 HD22 LEU 43 -11.623 14.051 14.051
325 2HD2 LEU 43 HD21 LEU 43 -12.596 14.833 14.833
326 3HD2 LEU 43 HD23 LEU 43 -12.304 15.654 15.654
327 H GLY 44 HN GLY 44 -15.437 12.205 12.205
328 1HA GLY 44 HA2 GLY 44 -15.077 10.273 10.273
329 2HA GLY 44 HA1 GLY 44 -15.156 9.393 9.393
330 H ILE 45 HN ILE 45 -12.644 11.750 11.750
331 HA ILE 45 HA ILE 45 -10.516 9.887 9.887
332 HB ILE 45 HB ILE 45 -9.159 11.896 11.896
333 1HG1 ILE 45 HG12 ILE 45 -10.786 14.003 14.003
334 2HG1 ILE 45 HG11 ILE 45 -11.935 12.864 12.864
335 1HG2 ILE 45 HG21 ILE 45 -11.100 12.001 12.001
336 2HG2 ILE 45 HG23 ILE 45 -9.954 13.313 13.313
337 3HG2 ILE 45 HG22 ILE 45 -9.366 11.680 11.680
338 1HD1 ILE 45 HD13 ILE 45 -9.473 12.634 12.634
339 2HD1 ILE 45 HD12 ILE 45 -9.537 14.346 14.346
340 3HD1 ILE 45 HD11 ILE 45 -10.833 13.624 13.624
341 H SER 46 HN SER 46 -11.744 11.618 11.618
342 HA SER 46 HA SER 46 -11.304 9.362 9.362
343 1HB SER 46 HB2 SER 46 -8.928 10.413 10.413
344 2HB SER 46 HB1 SER 46 -9.261 11.464 11.464
345 HG SER 46 HG SER 46 -8.868 9.872 9.872
346 H TYR 47 HN TYR 47 -13.130 11.878 11.878
347 HA TYR 47 HA TYR 47 -12.872 13.384 13.384
348 1HB TYR 47 HB2 TYR 47 -14.907 14.502 14.502
349 2HB TYR 47 HB1 TYR 47 -13.861 14.186 14.186
350 HD1 TYR 47 HD1 TYR 47 -16.772 12.793 12.793
351 HD2 TYR 47 HD2 TYR 47 -14.494 12.915 12.915
352 HE1 TYR 47 HE1 TYR 47 -18.503 11.440 11.440
353 HE2 TYR 47 HE2 TYR 47 -16.204 11.580 11.580
354 HH TYR 47 HH TYR 47 -17.999 9.882 9.882
355 H GLY 48 HN GLY 48 -14.507 10.468 10.468
356 1HA GLY 48 HA2 GLY 48 -15.066 8.998 8.998
357 2HA GLY 48 HA1 GLY 48 -16.102 10.347 10.347
358 H ARG 49 HN ARG 49 -15.471 8.627 8.627
359 HA ARG 49 HA ARG 49 -18.074 8.972 8.972
360 1HB ARG 49 HB2 ARG 49 -16.019 8.375 8.375
361 2HB ARG 49 HB1 ARG 49 -16.044 6.768 6.768
362 1HG ARG 49 HG2 ARG 49 -18.605 7.048 7.048
363 2HG ARG 49 HG1 ARG 49 -17.661 8.108 8.108
364 1HD ARG 49 HD2 ARG 49 -16.851 5.229 5.229
365 2HD ARG 49 HD1 ARG 49 -17.760 5.800 5.800
366 HE ARG 49 HE ARG 49 -15.574 7.557 7.557
367 1HH1 ARG 49 HH11 ARG 49 -16.473 5.065 5.065
368 2HH1 ARG 49 HH12 ARG 49 -14.887 4.442 4.442
369 1HH2 ARG 49 HH21 ARG 49 -13.362 6.374 6.374
370 2HH2 ARG 49 HH22 ARG 49 -13.124 5.184 5.184
371 H LYS 50 HN LYS 50 -19.934 7.677 7.677
372 HA LYS 50 HA LYS 50 -20.051 5.642 5.642
373 1HB LYS 50 HB2 LYS 50 -22.472 6.146 6.146
374 2HB LYS 50 HB1 LYS 50 -21.513 7.600 7.600
375 1HG LYS 50 HG2 LYS 50 -21.858 7.216 7.216
376 2HG LYS 50 HG1 LYS 50 -23.404 7.017 7.017
377 1HD LYS 50 HD2 LYS 50 -23.340 9.176 9.176
378 2HD LYS 50 HD1 LYS 50 -21.605 9.318 9.318
379 1HE LYS 50 HE2 LYS 50 -22.265 10.563 10.563
380 2HE LYS 50 HE1 LYS 50 -22.308 8.965 8.965
381 1HZ LYS 50 HZ1 LYS 50 -24.606 10.194 10.194
382 2HZ LYS 50 HZ3 LYS 50 -24.428 10.217 10.217
383 3HZ LYS 50 HZ2 LYS 50 -24.617 8.737 8.737
384 H LYS 51 HN LYS 51 -19.701 5.658 5.658
385 HA LYS 51 HA LYS 51 -19.855 3.924 3.924
386 1HB LYS 51 HB2 LYS 51 -21.084 2.305 2.305
387 2HB LYS 51 HB1 LYS 51 -20.639 1.758 1.758
388 1HG LYS 51 HG2 LYS 51 -18.458 3.288 3.288
389 2HG LYS 51 HG1 LYS 51 -18.882 1.780 1.780
390 1HD LYS 51 HD2 LYS 51 -17.259 1.146 1.146
391 2HD LYS 51 HD1 LYS 51 -18.766 0.733 0.733
392 1HE LYS 51 HE2 LYS 51 -18.632 2.598 2.598
393 2HE LYS 51 HE1 LYS 51 -17.476 3.448 3.448
394 1HZ LYS 51 HZ1 LYS 51 -16.977 0.857 0.857
395 2HZ LYS 51 HZ3 LYS 51 -16.372 2.360 2.360
396 3HZ LYS 51 HZ2 LYS 51 -15.865 1.692 1.692
397 H ARG 52 HN ARG 52 -22.669 5.050 5.050
398 HA ARG 52 HA ARG 52 -24.526 3.961 3.961
399 1HB ARG 52 HB2 ARG 52 -25.196 5.779 5.779
400 2HB ARG 52 HB1 ARG 52 -26.230 4.602 4.602
401 1HG ARG 52 HG2 ARG 52 -23.916 4.175 4.175
402 2HG ARG 52 HG1 ARG 52 -25.585 3.632 3.632
403 1HD ARG 52 HD2 ARG 52 -23.473 2.449 2.449
404 2HD ARG 52 HD1 ARG 52 -24.406 1.643 1.643
405 HE ARG 52 HE ARG 52 -25.317 2.108 2.108
406 1HH1 ARG 52 HH11 ARG 52 -26.214 0.471 0.471
407 2HH1 ARG 52 HH12 ARG 52 -27.907 0.829 0.829
408 1HH2 ARG 52 HH21 ARG 52 -27.562 3.285 3.285
409 2HH2 ARG 52 HH22 ARG 52 -28.671 2.424 2.424
410 H ARG 53 HN ARG 53 -22.440 6.460 6.460
411 HA ARG 53 HA ARG 53 -23.835 8.844 8.844
412 1HB ARG 53 HB2 ARG 53 -21.753 9.370 9.370
413 2HB ARG 53 HB1 ARG 53 -21.457 8.741 8.741
414 1HG ARG 53 HG2 ARG 53 -20.201 7.101 7.101
415 2HG ARG 53 HG1 ARG 53 -21.580 6.450 6.450
416 1HD ARG 53 HD2 ARG 53 -21.087 7.970 7.970
417 2HD ARG 53 HD1 ARG 53 -19.660 8.529 8.529
418 HE ARG 53 HE ARG 53 -19.913 5.615 5.615
419 1HH1 ARG 53 HH11 ARG 53 -17.513 7.506 7.506
420 2HH1 ARG 53 HH12 ARG 53 -16.517 7.297 7.297
421 1HH2 ARG 53 HH21 ARG 53 -19.030 5.815 5.815
422 2HH2 ARG 53 HH22 ARG 53 -17.379 6.337 6.337
423 H GLN 54 HN GLN 54 -23.470 5.969 5.969
424 HA GLN 54 HA GLN 54 -24.078 7.216 7.216
425 1HB GLN 54 HB2 GLN 54 -24.565 4.285 4.285
426 2HB GLN 54 HB1 GLN 54 -24.259 4.999 4.999
427 1HG GLN 54 HG2 GLN 54 -22.028 5.608 5.608
428 2HG GLN 54 HG1 GLN 54 -22.189 5.117 5.117
429 1HE2 GLN 54 HE22 GLN 54 -22.058 1.608 1.608
430 2HE2 GLN 54 HE21 GLN 54 -22.700 2.754 2.754
431 H ARG 55 HN ARG 55 -26.039 5.478 5.478
432 HA ARG 55 HA ARG 55 -28.366 5.423 5.423
433 1HB ARG 55 HB2 ARG 55 -28.073 8.128 8.128
434 2HB ARG 55 HB1 ARG 55 -29.481 7.598 7.598
435 1HG ARG 55 HG2 ARG 55 -28.003 7.252 7.252
436 2HG ARG 55 HG1 ARG 55 -26.679 7.971 7.971
437 1HD ARG 55 HD2 ARG 55 -27.853 10.062 10.062
438 2HD ARG 55 HD1 ARG 55 -29.279 9.402 9.402
439 HE ARG 55 HE ARG 55 -26.556 9.529 9.529
440 1HH1 ARG 55 HH11 ARG 55 -29.024 8.206 8.206
441 2HH1 ARG 55 HH12 ARG 55 -29.521 9.452 9.452
442 1HH2 ARG 55 HH21 ARG 55 -27.598 11.920 11.920
443 2HH2 ARG 55 HH22 ARG 55 -28.712 11.560 11.560
444 H ARG 56 HN ARG 56 -27.214 4.430 4.430
445 HA ARG 56 HA ARG 56 -29.772 3.852 3.852
446 1HB ARG 56 HB2 ARG 56 -29.441 5.110 5.110
447 2HB ARG 56 HB1 ARG 56 -29.076 6.225 6.225
448 1HG ARG 56 HG2 ARG 56 -26.616 4.949 4.949
449 2HG ARG 56 HG1 ARG 56 -27.316 5.171 5.171
450 1HD ARG 56 HD2 ARG 56 -27.587 7.449 7.449
451 2HD ARG 56 HD1 ARG 56 -25.905 6.989 6.989
452 HE ARG 56 HE ARG 56 -26.850 7.005 7.005
453 1HH1 ARG 56 HH21 ARG 56 -29.047 7.935 7.935
454 2HH1 ARG 56 HH22 ARG 56 -29.241 9.612 9.612
455 1HH2 ARG 56 HH11 ARG 56 -26.656 9.649 9.649
456 2HH2 ARG 56 HH12 ARG 56 -27.886 10.583 10.583
457 H ARG 57 HN ARG 57 -27.575 2.294 2.294
458 HA ARG 57 HA ARG 57 -25.723 1.300 1.300
459 1HB ARG 57 HB2 ARG 57 -25.701 0.858 0.858
460 2HB ARG 57 HB1 ARG 57 -27.165 -0.098 -0.098
461 1HG ARG 57 HG2 ARG 57 -25.466 -1.708 -1.708
462 2HG ARG 57 HG1 ARG 57 -25.866 -1.560 -1.560
463 1HD ARG 57 HD2 ARG 57 -23.963 0.150 0.150
464 2HD ARG 57 HD1 ARG 57 -23.526 -0.298 -0.298
465 HE ARG 57 HE ARG 57 -23.612 -2.216 -2.216
466 1HH1 ARG 57 HH11 ARG 57 -23.667 -2.561 -2.561
467 2HH1 ARG 57 HH12 ARG 57 -22.139 -3.361 -3.361
468 1HH2 ARG 57 HH21 ARG 57 -21.168 -2.734 -2.734
469 2HH2 ARG 57 HH22 ARG 57 -20.724 -3.460 -3.460
470 HA PRO 58 HA PRO 58 -29.001 -1.965 -1.965
471 1HB PRO 58 HB2 PRO 58 -31.635 -1.447 -1.447
472 2HB PRO 58 HB1 PRO 58 -30.562 -2.339 -2.339
473 1HG PRO 58 HG2 PRO 58 -31.424 0.512 0.512
474 2HG PRO 58 HG1 PRO 58 -31.205 -0.627 -0.627
475 1HD PRO 58 HD2 PRO 58 -29.499 1.325 1.325
476 2HD PRO 58 HD1 PRO 58 -28.971 -0.123 -0.123
477 H SER 59 HN SER 59 -29.220 1.439 1.439
478 HA SER 59 HA SER 59 -31.083 1.226 1.226
479 1HB SER 59 HB2 SER 59 -30.958 3.469 3.469
480 2HB SER 59 HB1 SER 59 -31.052 3.151 3.151
481 HG SER 59 HG SER 59 -29.364 4.700 4.700
482 H GLN 60 HN GLN 60 -30.484 2.139 2.139
483 HA GLN 60 HA GLN 60 -27.859 2.707 2.707
484 1HB GLN 60 HB2 GLN 60 -27.570 0.242 0.242
485 2HB GLN 60 HB1 GLN 60 -28.794 -0.083 -0.083
486 1HG GLN 60 HG2 GLN 60 -27.043 1.310 1.310
487 2HG GLN 60 HG1 GLN 60 -25.906 0.674 0.674
488 1HE2 GLN 60 HE22 GLN 60 -27.302 -2.765 -2.765
489 2HE2 GLN 60 HE21 GLN 60 -27.558 -1.849 -1.849
490 H GLY 61 HN GLY 61 -29.238 0.402 0.402
491 1HA GLY 61 HA2 GLY 61 -30.749 0.537 0.537
492 2HA GLY 61 HA1 GLY 61 -31.233 2.166 2.166
493 H GLY 62 HN GLY 62 -28.315 0.467 0.467
494 1HA GLY 62 HA2 GLY 62 -26.802 1.067 1.067
495 2HA GLY 62 HA1 GLY 62 -27.991 2.210 2.210
496 H GLN 63 HN GLN 63 -27.007 2.315 2.315
497 HA GLN 63 HA GLN 63 -26.115 5.073 5.073
498 1HB GLN 63 HB2 GLN 63 -26.546 3.034 3.034
499 2HB GLN 63 HB1 GLN 63 -25.577 4.420 4.420
500 1HG GLN 63 HG2 GLN 63 -28.138 4.778 4.778
501 2HG GLN 63 HG1 GLN 63 -28.092 4.286 4.286
502 1HE2 GLN 63 HE22 GLN 63 -26.610 8.056 8.056
503 2HE2 GLN 63 HE21 GLN 63 -26.638 6.864 6.864
504 H THR 64 HN THR 64 -24.584 1.920 1.920
505 HA THR 64 HA THR 64 -22.319 1.277 1.277
506 HB THR 64 HB THR 64 -21.994 3.980 3.980
507 HG1 THR 64 HG1 THR 64 -22.621 1.450 1.450
508 1HG2 THR 64 HG22 THR 64 -20.315 1.475 1.475
509 2HG2 THR 64 HG21 THR 64 -20.048 2.777 2.777
510 3HG2 THR 64 HG23 THR 64 -19.865 3.081 3.081
511 H HIS 65 HN HIS 65 -22.962 1.908 1.908
512 HA HIS 65 HA HIS 65 -21.824 4.268 4.268
513 1HB HIS 65 HB2 HIS 65 -23.107 1.733 1.733
514 2HB HIS 65 HB1 HIS 65 -22.101 2.408 2.408
515 HD1 HIS 65 HD1 HIS 65 -25.326 1.904 1.904
516 HD2 HIS 65 HD2 HIS 65 -23.445 5.552 5.552
517 HE1 HIS 65 HE1 HIS 65 -27.132 3.674 3.674
518 H GLN 66 HN GLN 66 -20.337 3.300 3.300
519 HA GLN 66 HA GLN 66 -17.863 2.325 2.325
520 1HB GLN 66 HB2 GLN 66 -18.442 4.074 4.074
521 2HB GLN 66 HB1 GLN 66 -16.790 3.548 3.548
522 1HG GLN 66 HG2 GLN 66 -16.835 5.536 5.536
523 2HG GLN 66 HG1 GLN 66 -17.436 4.435 4.435
524 1HE2 GLN 66 HE22 GLN 66 -20.611 6.048 6.048
525 2HE2 GLN 66 HE21 GLN 66 -19.529 4.936 4.936
526 H ASP 67 HN ASP 67 -19.510 2.254 2.254
527 HA ASP 67 HA ASP 67 -17.994 -0.051 -0.051
528 1HB ASP 67 HB2 ASP 67 -18.631 1.598 1.598
529 2HB ASP 67 HB1 ASP 67 -20.320 1.612 1.612
530 HA PRO 68 HA PRO 68 -22.073 -2.329 -2.329
531 1HB PRO 68 HB2 PRO 68 -24.143 -1.031 -1.031
532 2HB PRO 68 HB1 PRO 68 -23.844 -0.988 -0.988
533 1HG PRO 68 HG2 PRO 68 -23.457 1.089 1.089
534 2HG PRO 68 HG1 PRO 68 -23.643 1.275 1.275
535 1HD PRO 68 HD2 PRO 68 -21.187 1.256 1.256
536 2HD PRO 68 HD1 PRO 68 -21.443 1.585 1.585
537 H ILE 69 HN ILE 69 -20.710 -0.364 -0.364
538 HA ILE 69 HA ILE 69 -21.657 -2.336 -2.336
539 HB ILE 69 HB ILE 69 -21.555 0.535 0.535
540 1HG1 ILE 69 HG12 ILE 69 -23.193 0.340 0.340
541 2HG1 ILE 69 HG11 ILE 69 -22.355 -1.280 -1.280
542 1HG2 ILE 69 HG21 ILE 69 -19.376 0.174 0.174
543 2HG2 ILE 69 HG23 ILE 69 -20.343 -0.499 -0.499
544 3HG2 ILE 69 HG22 ILE 69 -20.568 1.177 1.177
545 1HD1 ILE 69 HD12 ILE 69 -23.692 -0.658 -0.658
546 2HD1 ILE 69 HD11 ILE 69 -24.709 -1.091 -1.091
547 3HD1 ILE 69 HD13 ILE 69 -23.460 -2.208 -2.208
548 HA PRO 70 HA PRO 70 -16.808 -1.997 -1.997
549 1HB PRO 70 HB2 PRO 70 -15.947 -3.677 -3.677
550 2HB PRO 70 HB1 PRO 70 -16.251 -1.922 -1.922
551 1HG PRO 70 HG2 PRO 70 -18.047 -4.180 -4.180
552 2HG PRO 70 HG1 PRO 70 -17.571 -2.774 -2.774
553 1HD PRO 70 HD2 PRO 70 -19.899 -2.895 -2.895
554 2HD PRO 70 HD1 PRO 70 -19.019 -1.353 -1.353
555 H LYS 71 HN LYS 71 -19.301 -4.292 -4.292
556 HA LYS 71 HA LYS 71 -17.641 -6.597 -6.597
557 1HB LYS 71 HB2 LYS 71 -19.921 -7.609 -7.609
558 2HB LYS 71 HB1 LYS 71 -19.642 -7.011 -7.011
559 1HG LYS 71 HG2 LYS 71 -20.791 -4.824 -4.824
560 2HG LYS 71 HG1 LYS 71 -21.656 -6.290 -6.290
561 1HD LYS 71 HD2 LYS 71 -22.614 -5.055 -5.055
562 2HD LYS 71 HD1 LYS 71 -22.285 -6.742 -6.742
563 1HE LYS 71 HE2 LYS 71 -20.026 -5.838 -5.838
564 2HE LYS 71 HE1 LYS 71 -20.752 -4.249 -4.249
565 1HZ LYS 71 HZ2 LYS 71 -22.089 -6.549 -6.549
566 2HZ LYS 71 HZ1 LYS 71 -21.221 -5.351 -5.351
567 3HZ LYS 71 HZ3 LYS 71 -22.621 -4.936 -4.936
568 H GLN 72 HN GLN 72 -19.725 -4.188 -4.188
569 HA GLN 72 HA GLN 72 -18.375 -4.704 -4.704
570 1HB GLN 72 HB2 GLN 72 -20.945 -5.108 -5.108
571 2HB GLN 72 HB1 GLN 72 -19.820 -6.411 -6.411
572 1HG GLN 72 HG2 GLN 72 -21.727 -6.979 -6.979
573 2HG GLN 72 HG1 GLN 72 -20.827 -6.259 -6.259
574 1HE2 GLN 72 HE22 GLN 72 -23.147 -3.377 -3.377
575 2HE2 GLN 72 HE21 GLN 72 -21.550 -3.800 -3.800
576 HA PRO 73 HA PRO 73 -19.695 -0.595 -0.595
577 1HB PRO 73 HB2 PRO 73 -20.582 -0.719 -0.719
578 2HB PRO 73 HB1 PRO 73 -18.853 -0.779 -0.779
579 1HG PRO 73 HG2 PRO 73 -20.743 -3.035 -3.035
580 2HG PRO 73 HG1 PRO 73 -19.092 -2.777 -2.777
581 1HD PRO 73 HD2 PRO 73 -19.655 -4.467 -4.467
582 2HD PRO 73 HD1 PRO 73 -18.161 -3.502 -3.502
583 H SER 74 HN SER 74 -22.026 -2.953 -2.953
584 HA SER 74 HA SER 74 -24.374 -3.007 -3.007
585 1HB SER 74 HB2 SER 74 -23.267 -3.083 -3.083
586 2HB SER 74 HB1 SER 74 -24.238 -1.733 -1.733
587 HG SER 74 HG SER 74 -25.099 -4.283 -4.283
588 H SER 75 HN SER 75 -23.682 -0.899 -0.899
589 HA SER 75 HA SER 75 -25.865 0.879 0.879
590 1HB SER 75 HB2 SER 75 -25.256 1.844 1.844
591 2HB SER 75 HB1 SER 75 -23.586 1.541 1.541
592 HG SER 75 HG SER 75 -23.540 3.579 3.579
593 H GLN 76 HN GLN 76 -22.397 0.505 0.505
594 HA GLN 76 HA GLN 76 -22.228 2.413 2.413
595 1HB GLN 76 HB2 GLN 76 -20.409 0.359 0.359
596 2HB GLN 76 HB1 GLN 76 -19.903 1.340 1.340
597 1HG GLN 76 HG2 GLN 76 -19.305 2.924 2.924
598 2HG GLN 76 HG1 GLN 76 -21.011 3.200 3.200
599 1HE2 GLN 76 HE22 GLN 76 -20.897 1.490 1.490
600 2HE2 GLN 76 HE21 GLN 76 -21.926 2.044 2.044
601 HA PRO 77 HA PRO 77 -22.086 -1.584 -1.584
602 1HB PRO 77 HB2 PRO 77 -22.700 -3.994 -3.994
603 2HB PRO 77 HB1 PRO 77 -21.059 -3.286 -3.286
604 1HG PRO 77 HG2 PRO 77 -23.009 -3.523 -3.523
605 2HG PRO 77 HG1 PRO 77 -21.254 -3.359 -3.359
606 1HD PRO 77 HD2 PRO 77 -23.334 -1.443 -1.443
607 2HD PRO 77 HD1 PRO 77 -21.632 -1.188 -1.188
608 H ARG 78 HN ARG 78 -24.656 -0.450 -0.450
609 HA ARG 78 HA ARG 78 -26.631 -1.263 -1.263
610 1HB ARG 78 HB2 ARG 78 -27.905 -2.750 -2.750
611 2HB ARG 78 HB1 ARG 78 -26.332 -3.440 -3.440
612 1HG ARG 78 HG2 ARG 78 -25.416 -2.355 -2.355
613 2HG ARG 78 HG1 ARG 78 -27.073 -1.981 -1.981
614 1HD ARG 78 HD2 ARG 78 -27.666 -4.404 -4.404
615 2HD ARG 78 HD1 ARG 78 -25.943 -4.759 -4.759
616 HE ARG 78 HE ARG 78 -26.361 -2.987 -2.987
617 1HH1 ARG 78 HH11 ARG 78 -24.364 -5.234 -5.234
618 2HH1 ARG 78 HH12 ARG 78 -25.041 -6.352 -6.352
619 1HH2 ARG 78 HH21 ARG 78 -28.181 -4.864 -4.864
620 2HH2 ARG 78 HH22 ARG 78 -27.207 -6.143 -6.143
621 H GLY 79 HN GLY 79 -26.059 -0.073 -0.073
622 1HA GLY 79 HA2 GLY 79 -28.686 0.965 0.965
623 2HA GLY 79 HA1 GLY 79 -27.266 1.463 1.463
624 H ASP 80 HN ASP 80 -27.417 3.660 3.660
625 HA ASP 80 HA ASP 80 -28.443 5.185 5.185
626 1HB ASP 80 HB2 ASP 80 -27.002 5.806 5.806
627 2HB ASP 80 HB1 ASP 80 -27.474 7.083 7.083
628 HA PRO 81 HA PRO 81 -24.825 5.605 5.605
629 1HB PRO 81 HB2 PRO 81 -25.178 8.143 8.143
630 2HB PRO 81 HB1 PRO 81 -26.105 6.743 6.743
631 1HG PRO 81 HG2 PRO 81 -26.844 8.830 8.830
632 2HG PRO 81 HG1 PRO 81 -27.817 8.154 8.154
633 1HD PRO 81 HD2 PRO 81 -28.136 7.347 7.347
634 2HD PRO 81 HD1 PRO 81 -28.291 6.214 6.214
635 H THR 82 HN THR 82 -22.753 6.068 6.068
636 HA THR 82 HA THR 82 -22.292 8.359 8.359
637 HB THR 82 HB THR 82 -20.284 6.960 6.960
638 HG1 THR 82 HG1 THR 82 -20.501 4.740 4.740
639 1HG2 THR 82 HG22 THR 82 -22.392 7.090 7.090
640 2HG2 THR 82 HG21 THR 82 -23.039 5.744 5.744
641 3HG2 THR 82 HG23 THR 82 -21.649 5.496 5.496
642 H GLY 83 HN GLY 83 -21.065 6.588 6.588
643 1HA GLY 83 HA2 GLY 83 -20.104 8.749 8.749
644 2HA GLY 83 HA1 GLY 83 -18.879 8.394 8.394
645 HA PRO 84 HA PRO 84 -17.820 5.048 5.048
646 1HB PRO 84 HB2 PRO 84 -15.475 4.394 4.394
647 2HB PRO 84 HB1 PRO 84 -15.678 5.874 5.874
648 1HG PRO 84 HG2 PRO 84 -15.398 5.590 5.590
649 2HG PRO 84 HG1 PRO 84 -15.405 7.066 7.066
650 1HD PRO 84 HD2 PRO 84 -17.634 5.674 5.674
651 2HD PRO 84 HD1 PRO 84 -17.612 7.369 7.369
652 H LYS 85 HN LYS 85 -19.526 4.528 4.528
653 HA LYS 85 HA LYS 85 -18.658 1.930 1.930
654 1HB LYS 85 HB2 LYS 85 -20.778 2.158 2.158
655 2HB LYS 85 HB1 LYS 85 -19.819 3.644 3.644
656 1HG LYS 85 HG2 LYS 85 -21.334 4.816 4.816
657 2HG LYS 85 HG1 LYS 85 -21.752 3.450 3.450
658 1HD LYS 85 HD2 LYS 85 -22.856 2.762 2.762
659 2HD LYS 85 HD1 LYS 85 -23.108 4.483 4.483
660 1HE LYS 85 HE2 LYS 85 -24.403 4.082 4.082
661 2HE LYS 85 HE1 LYS 85 -23.641 2.499 2.499
662 1HZ LYS 85 HZ3 LYS 85 -25.207 3.112 3.112
663 2HZ LYS 85 HZ2 LYS 85 -25.937 2.481 2.481
664 3HZ LYS 85 HZ1 LYS 85 -24.723 1.601 1.601
665 H GLU 86 HN GLU 86 -20.548 3.112 3.112
666 HA GLU 86 HA GLU 86 -22.312 0.852 0.852
667 1HB GLU 86 HB2 GLU 86 -21.350 2.984 2.984
668 2HB GLU 86 HB1 GLU 86 -22.881 2.072 2.072
669 1HG GLU 86 HG2 GLU 86 -23.357 3.048 3.048
670 2HG GLU 86 HG1 GLU 86 -22.043 4.184 4.184
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