NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
600542 |
2nab   |
25934 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 -6.426 -8.783 12.989
2 H2 GLY 1 HT2 GLY 1 -5.394 -8.609 14.313
3 H3 GLY 1 HT3 GLY 1 -4.911 -9.530 12.981
4 HA2 GLY 1 HA1 GLY 1 -3.831 -7.353 13.022
5 HA3 GLY 1 HA2 GLY 1 -4.823 -7.595 11.590
6 H ALA 2 HN ALA 2 -4.106 -5.065 12.452
7 HA ALA 2 HA ALA 2 -6.077 -3.871 14.120
8 HB1 ALA 2 HB1 ALA 2 -4.223 -2.572 12.127
9 HB2 ALA 2 HB2 ALA 2 -3.851 -2.896 13.820
10 HB3 ALA 2 HB3 ALA 2 -5.122 -1.748 13.400
11 H MET 3 HN MET 3 -5.686 -4.187 10.627
12 HA MET 3 HA MET 3 -8.082 -2.609 10.143
13 HB2 MET 3 HB2 MET 3 -6.117 -3.919 8.264
14 HB3 MET 3 HB1 MET 3 -7.534 -3.027 7.729
15 HG2 MET 3 HG2 MET 3 -6.674 -1.021 8.843
16 HG3 MET 3 HG1 MET 3 -5.239 -1.921 9.328
17 HE1 MET 3 HE1 MET 3 -3.864 0.480 6.566
18 HE2 MET 3 HE2 MET 3 -3.738 -0.042 8.245
19 HE3 MET 3 HE3 MET 3 -5.159 0.849 7.705
20 H GLU 4 HN GLU 4 -8.294 -5.230 11.482
21 HA GLU 4 HA GLU 4 -9.629 -6.859 9.489
22 HB2 GLU 4 HB2 GLU 4 -9.066 -7.261 12.416
23 HB3 GLU 4 HB1 GLU 4 -10.108 -8.348 11.505
24 HG2 GLU 4 HG2 GLU 4 -7.202 -7.765 10.996
25 HG3 GLU 4 HG1 GLU 4 -7.905 -9.273 11.585
26 H VAL 5 HN VAL 5 -10.892 -4.696 9.338
27 HA VAL 5 HA VAL 5 -13.412 -5.056 10.823
28 HB VAL 5 HB VAL 5 -12.511 -2.564 9.351
29 HG11 VAL 5 HG11 VAL 5 -14.916 -2.757 9.587
30 HG12 VAL 5 HG12 VAL 5 -14.302 -1.471 10.626
31 HG13 VAL 5 HG13 VAL 5 -14.744 -3.029 11.321
32 HG21 VAL 5 HG21 VAL 5 -10.994 -2.958 11.214
33 HG22 VAL 5 HG22 VAL 5 -12.364 -3.120 12.312
34 HG23 VAL 5 HG23 VAL 5 -12.033 -1.570 11.538
35 H GLN 6 HN GLN 6 -15.339 -5.032 9.518
36 HA GLN 6 HA GLN 6 -14.965 -6.216 6.951
37 HB2 GLN 6 HB2 GLN 6 -16.850 -6.767 8.498
38 HB3 GLN 6 HB1 GLN 6 -17.533 -5.183 8.163
39 HG2 GLN 6 HG2 GLN 6 -18.650 -6.856 6.848
40 HG3 GLN 6 HG1 GLN 6 -17.734 -5.781 5.795
41 HE21 GLN 6 HE21 GLN 6 -18.702 -8.521 5.391
42 HE22 GLN 6 HE22 GLN 6 -17.310 -9.459 4.981
43 H THR 7 HN THR 7 -13.833 -4.694 5.765
44 HA THR 7 HA THR 7 -15.480 -2.642 4.547
45 HB THR 7 HB THR 7 -14.441 -1.419 6.385
46 HG1 THR 7 HG1 THR 7 -14.281 0.148 4.999
47 HG21 THR 7 HG21 THR 7 -12.012 -1.153 6.544
48 HG22 THR 7 HG22 THR 7 -11.796 -2.297 5.219
49 HG23 THR 7 HG23 THR 7 -12.482 -2.841 6.750
50 H SER 8 HN SER 8 -14.998 -2.364 2.423
51 HA SER 8 HA SER 8 -12.946 -4.137 1.342
52 HB2 SER 8 HB2 SER 8 -15.331 -4.224 0.511
53 HB3 SER 8 HB1 SER 8 -15.083 -2.620 -0.170
54 HG SER 8 HG SER 8 -13.261 -3.601 -1.330
55 H GLN 9 HN GLN 9 -12.728 -1.289 2.556
56 HA GLN 9 HA GLN 9 -11.674 0.296 0.420
57 HB2 GLN 9 HB2 GLN 9 -11.393 0.590 3.414
58 HB3 GLN 9 HB1 GLN 9 -10.875 1.786 2.234
59 HG2 GLN 9 HG2 GLN 9 -13.187 2.040 1.481
60 HG3 GLN 9 HG1 GLN 9 -13.701 0.849 2.675
61 HE21 GLN 9 HE21 GLN 9 -12.528 4.076 2.164
62 HE22 GLN 9 HE22 GLN 9 -12.888 4.669 3.749
63 H LYS 10 HN LYS 10 -10.421 -2.143 2.507
64 HA LYS 10 HA LYS 10 -7.666 -1.419 1.939
65 HB2 LYS 10 HB2 LYS 10 -7.122 -3.432 3.329
66 HB3 LYS 10 HB1 LYS 10 -8.034 -2.188 4.168
67 HG2 LYS 10 HG2 LYS 10 -10.048 -3.465 4.017
68 HG3 LYS 10 HG1 LYS 10 -9.277 -4.647 2.958
69 HD2 LYS 10 HD2 LYS 10 -7.741 -5.251 4.791
70 HD3 LYS 10 HD1 LYS 10 -8.574 -4.105 5.844
71 HE2 LYS 10 HE2 LYS 10 -10.627 -5.360 5.654
72 HE3 LYS 10 HE1 LYS 10 -9.887 -6.453 4.485
73 HZ1 LYS 10 HZ1 LYS 10 -9.968 -7.426 6.694
74 HZ2 LYS 10 HZ2 LYS 10 -9.056 -6.146 7.321
75 HZ3 LYS 10 HZ3 LYS 10 -8.368 -7.207 6.196
76 H SER 11 HN SER 11 -7.220 -1.781 -0.157
77 HA SER 11 HA SER 11 -7.268 -4.561 -1.038
78 HB2 SER 11 HB2 SER 11 -8.364 -2.343 -2.776
79 HB3 SER 11 HB1 SER 11 -8.328 -4.064 -3.146
80 HG SER 11 HG SER 11 -9.611 -4.125 -1.006
81 H TYR 12 HN TYR 12 -5.278 -2.432 -0.261
82 HA TYR 12 HA TYR 12 -3.764 -2.308 -2.784
83 HB2 TYR 12 HB2 TYR 12 -3.219 -0.607 -0.358
84 HB3 TYR 12 HB1 TYR 12 -2.717 -0.327 -2.021
85 HD1 TYR 12 HD1 TYR 12 -5.408 -0.004 0.403
86 HD2 TYR 12 HD2 TYR 12 -4.313 0.583 -3.663
87 HE1 TYR 12 HE1 TYR 12 -7.385 1.406 0.089
88 HE2 TYR 12 HE2 TYR 12 -6.292 2.010 -3.990
89 HH TYR 12 HH TYR 12 -8.517 2.333 -2.965
90 H VAL 13 HN VAL 13 -2.325 -3.907 -2.855
91 HA VAL 13 HA VAL 13 -0.934 -4.663 -0.371
92 HB VAL 13 HB VAL 13 -1.273 -6.279 -2.903
93 HG11 VAL 13 HG11 VAL 13 -0.073 -7.063 -0.250
94 HG12 VAL 13 HG12 VAL 13 0.827 -6.754 -1.733
95 HG13 VAL 13 HG13 VAL 13 -0.288 -8.116 -1.648
96 HG21 VAL 13 HG21 VAL 13 -2.748 -7.697 -1.585
97 HG22 VAL 13 HG22 VAL 13 -3.361 -6.046 -1.653
98 HG23 VAL 13 HG23 VAL 13 -2.552 -6.627 -0.198
99 H CYS 14 HN CYS 14 1.162 -4.139 -0.210
100 HA CYS 14 HA CYS 14 2.703 -3.378 -2.530
101 HB2 CYS 14 HB2 CYS 14 3.228 -2.274 -0.447
102 HB3 CYS 14 HB1 CYS 14 3.474 -3.818 0.360
103 HA PRO 15 HA PRO 15 3.303 -7.628 -3.626
104 HB2 PRO 15 HB2 PRO 15 5.519 -6.603 -5.297
105 HB3 PRO 15 HB1 PRO 15 4.076 -7.509 -5.770
106 HG2 PRO 15 HG2 PRO 15 4.320 -4.907 -6.324
107 HG3 PRO 15 HG1 PRO 15 2.757 -5.611 -5.871
108 HD2 PRO 15 HD2 PRO 15 4.658 -3.991 -4.223
109 HD3 PRO 15 HD1 PRO 15 2.884 -3.939 -4.283
110 H ASN 16 HN ASN 16 5.918 -5.612 -2.488
111 HA ASN 16 HA ASN 16 7.745 -7.867 -2.301
112 HB2 ASN 16 HB2 ASN 16 8.549 -5.676 -3.094
113 HB3 ASN 16 HB1 ASN 16 8.144 -4.974 -1.534
114 HD21 ASN 16 HD21 ASN 16 10.348 -6.988 -3.283
115 HD22 ASN 16 HD22 ASN 16 11.555 -7.088 -2.051
116 H CYS 17 HN CYS 17 5.901 -5.754 -0.159
117 HA CYS 17 HA CYS 17 7.098 -7.061 2.164
118 HB2 CYS 17 HB2 CYS 17 5.143 -4.761 2.117
119 HB3 CYS 17 HB1 CYS 17 6.081 -5.321 3.495
120 H GLY 18 HN GLY 18 4.253 -7.167 0.263
121 HA2 GLY 18 HA2 GLY 18 2.339 -8.441 0.460
122 HA3 GLY 18 HA1 GLY 18 3.043 -9.189 1.888
123 H LYS 19 HN LYS 19 2.930 -5.787 1.820
124 HA LYS 19 HA LYS 19 1.399 -5.769 4.248
125 HB2 LYS 19 HB2 LYS 19 3.409 -4.346 3.865
126 HB3 LYS 19 HB1 LYS 19 2.509 -3.459 2.643
127 HG2 LYS 19 HG2 LYS 19 2.390 -2.126 4.548
128 HG3 LYS 19 HG1 LYS 19 0.831 -2.949 4.491
129 HD2 LYS 19 HD2 LYS 19 1.757 -4.636 6.081
130 HD3 LYS 19 HD1 LYS 19 3.196 -3.631 6.228
131 HE2 LYS 19 HE2 LYS 19 1.703 -3.161 8.064
132 HE3 LYS 19 HE1 LYS 19 1.780 -1.762 6.994
133 HZ1 LYS 19 HZ1 LYS 19 -0.323 -2.484 5.998
134 HZ2 LYS 19 HZ2 LYS 19 -0.486 -2.195 7.653
135 HZ3 LYS 19 HZ3 LYS 19 -0.399 -3.780 7.080
136 H ILE 20 HN ILE 20 -0.669 -5.197 4.531
137 HA ILE 20 HA ILE 20 -2.247 -4.404 2.202
138 HB ILE 20 HB ILE 20 -2.914 -5.636 4.844
139 HG12 ILE 20 HG12 ILE 20 -2.472 -6.879 2.672
140 HG13 ILE 20 HG11 ILE 20 -3.952 -7.295 3.528
141 HG21 ILE 20 HG21 ILE 20 -5.305 -5.243 4.489
142 HG22 ILE 20 HG22 ILE 20 -4.929 -4.205 3.113
143 HG23 ILE 20 HG23 ILE 20 -4.430 -3.731 4.738
144 HD11 ILE 20 HD11 ILE 20 -5.227 -5.907 1.984
145 HD12 ILE 20 HD12 ILE 20 -4.307 -7.146 1.129
146 HD13 ILE 20 HD13 ILE 20 -3.739 -5.476 1.140
147 H PHE 21 HN PHE 21 -3.011 -2.461 1.932
148 HA PHE 21 HA PHE 21 -2.939 -0.569 4.176
149 HB2 PHE 21 HB2 PHE 21 -2.191 -0.163 1.299
150 HB3 PHE 21 HB1 PHE 21 -2.722 1.192 2.291
151 HD1 PHE 21 HD1 PHE 21 -0.057 -1.195 1.645
152 HD2 PHE 21 HD2 PHE 21 -1.402 1.928 4.197
153 HE1 PHE 21 HE1 PHE 21 2.213 -0.961 2.552
154 HE2 PHE 21 HE2 PHE 21 0.865 2.164 5.115
155 HZ PHE 21 HZ PHE 21 2.677 0.718 4.292
156 H ARG 22 HN ARG 22 -4.595 0.951 4.292
157 HA ARG 22 HA ARG 22 -7.046 0.100 2.927
158 HB2 ARG 22 HB2 ARG 22 -6.919 0.073 5.441
159 HB3 ARG 22 HB1 ARG 22 -6.783 1.825 5.385
160 HG2 ARG 22 HG2 ARG 22 -8.954 1.903 4.205
161 HG3 ARG 22 HG1 ARG 22 -9.088 0.157 4.439
162 HD2 ARG 22 HD2 ARG 22 -9.079 0.418 6.826
163 HD3 ARG 22 HD1 ARG 22 -8.731 2.139 6.679
164 HE ARG 22 HE ARG 22 -11.107 1.711 5.337
165 HH11 ARG 22 HH11 ARG 22 -9.896 1.367 8.597
166 HH12 ARG 22 HH12 ARG 22 -11.433 1.660 9.341
167 HH21 ARG 22 HH21 ARG 22 -13.140 2.133 6.305
168 HH22 ARG 22 HH22 ARG 22 -13.277 2.103 8.039
169 H TRP 23 HN TRP 23 -4.770 2.630 3.134
170 HA TRP 23 HA TRP 23 -6.588 4.446 1.686
171 HB2 TRP 23 HB2 TRP 23 -4.325 5.298 3.507
172 HB3 TRP 23 HB1 TRP 23 -5.527 6.336 2.748
173 HD1 TRP 23 HD1 TRP 23 -4.799 4.746 5.943
174 HE1 TRP 23 HE1 TRP 23 -6.872 4.689 7.465
175 HE3 TRP 23 HE3 TRP 23 -8.383 5.866 2.469
176 HZ2 TRP 23 HZ2 TRP 23 -9.665 5.062 7.213
177 HZ3 TRP 23 HZ3 TRP 23 -10.728 5.990 3.200
178 HH2 TRP 23 HH2 TRP 23 -11.353 5.595 5.520
179 H ARG 24 HN ARG 24 -5.673 5.695 0.033
180 HA ARG 24 HA ARG 24 -3.617 4.366 -1.439
181 HB2 ARG 24 HB2 ARG 24 -5.052 6.973 -1.953
182 HB3 ARG 24 HB1 ARG 24 -3.952 6.203 -3.084
183 HG2 ARG 24 HG2 ARG 24 -5.429 4.289 -3.258
184 HG3 ARG 24 HG1 ARG 24 -6.518 5.005 -2.067
185 HD2 ARG 24 HD2 ARG 24 -5.817 6.165 -4.763
186 HD3 ARG 24 HD1 ARG 24 -7.335 5.377 -4.337
187 HE ARG 24 HE ARG 24 -6.905 7.471 -2.538
188 HH11 ARG 24 HH11 ARG 24 -7.606 7.021 -5.940
189 HH12 ARG 24 HH12 ARG 24 -8.436 8.535 -6.089
190 HH21 ARG 24 HH21 ARG 24 -7.974 9.457 -2.738
191 HH22 ARG 24 HH22 ARG 24 -8.638 9.928 -4.271
192 H VAL 25 HN VAL 25 -3.787 7.360 0.431
193 HA VAL 25 HA VAL 25 -1.495 8.555 -0.689
194 HB VAL 25 HB VAL 25 -1.539 10.061 1.317
195 HG11 VAL 25 HG11 VAL 25 -3.644 11.137 0.685
196 HG12 VAL 25 HG12 VAL 25 -4.139 9.671 -0.160
197 HG13 VAL 25 HG13 VAL 25 -2.748 10.590 -0.731
198 HG21 VAL 25 HG21 VAL 25 -3.483 9.914 2.815
199 HG22 VAL 25 HG22 VAL 25 -2.434 8.503 2.961
200 HG23 VAL 25 HG23 VAL 25 -3.944 8.390 2.056
201 H ASN 26 HN ASN 26 -1.898 6.702 2.307
202 HA ASN 26 HA ASN 26 0.877 6.898 2.954
203 HB2 ASN 26 HB2 ASN 26 0.326 5.130 4.680
204 HB3 ASN 26 HB1 ASN 26 -0.534 6.651 4.825
205 HD21 ASN 26 HD21 ASN 26 -1.189 3.896 2.685
206 HD22 ASN 26 HD22 ASN 26 -2.757 3.570 3.327
207 H PHE 27 HN PHE 27 -1.049 4.794 1.042
208 HA PHE 27 HA PHE 27 0.685 2.545 0.951
209 HB2 PHE 27 HB2 PHE 27 -1.671 2.454 0.219
210 HB3 PHE 27 HB1 PHE 27 -1.290 3.532 -1.121
211 HD1 PHE 27 HD1 PHE 27 -0.238 0.291 0.348
212 HD2 PHE 27 HD2 PHE 27 -0.758 2.614 -3.174
213 HE1 PHE 27 HE1 PHE 27 0.376 -1.657 -1.015
214 HE2 PHE 27 HE2 PHE 27 -0.144 0.668 -4.550
215 HZ PHE 27 HZ PHE 27 0.430 -1.460 -3.461
216 H ILE 28 HN ILE 28 0.243 5.329 -1.222
217 HA ILE 28 HA ILE 28 2.331 4.667 -2.989
218 HB ILE 28 HB ILE 28 1.214 7.402 -2.339
219 HG12 ILE 28 HG12 ILE 28 -0.533 5.910 -3.099
220 HG13 ILE 28 HG11 ILE 28 -0.143 7.038 -4.391
221 HG21 ILE 28 HG21 ILE 28 3.370 7.561 -3.461
222 HG22 ILE 28 HG22 ILE 28 2.066 8.068 -4.534
223 HG23 ILE 28 HG23 ILE 28 2.801 6.477 -4.731
224 HD11 ILE 28 HD11 ILE 28 1.222 5.292 -5.464
225 HD12 ILE 28 HD12 ILE 28 -0.471 4.832 -5.292
226 HD13 ILE 28 HD13 ILE 28 0.738 4.166 -4.195
227 H ARG 29 HN ARG 29 2.258 6.464 0.021
228 HA ARG 29 HA ARG 29 4.888 7.452 0.011
229 HB2 ARG 29 HB2 ARG 29 3.065 8.072 1.629
230 HB3 ARG 29 HB1 ARG 29 3.309 6.521 2.414
231 HG2 ARG 29 HG2 ARG 29 5.585 7.131 2.982
232 HG3 ARG 29 HG1 ARG 29 5.399 8.671 2.144
233 HD2 ARG 29 HD2 ARG 29 5.126 9.009 4.519
234 HD3 ARG 29 HD1 ARG 29 3.585 9.268 3.703
235 HE ARG 29 HE ARG 29 3.950 6.592 4.707
236 HH11 ARG 29 HH11 ARG 29 2.831 9.827 5.461
237 HH12 ARG 29 HH12 ARG 29 1.798 9.301 6.753
238 HH21 ARG 29 HH21 ARG 29 2.600 5.904 6.403
239 HH22 ARG 29 HH22 ARG 29 1.671 7.068 7.294
240 H HIS 30 HN HIS 30 3.530 4.426 1.223
241 HA HIS 30 HA HIS 30 5.934 3.309 2.186
242 HB2 HIS 30 HB2 HIS 30 3.821 2.464 2.942
243 HB3 HIS 30 HB1 HIS 30 3.314 2.093 1.304
244 HD1 HIS 30 HD1 HIS 30 5.999 0.903 3.770
245 HD2 HIS 30 HD2 HIS 30 3.631 -0.454 0.637
246 HE1 HIS 30 HE1 HIS 30 6.390 -1.598 3.604
247 H LEU 31 HN LEU 31 4.357 3.233 -0.966
248 HA LEU 31 HA LEU 31 6.197 1.385 -2.125
249 HB2 LEU 31 HB2 LEU 31 4.038 3.158 -3.134
250 HB3 LEU 31 HB1 LEU 31 5.240 2.618 -4.290
251 HG LEU 31 HG LEU 31 3.181 1.213 -4.232
252 HD11 LEU 31 HD11 LEU 31 5.724 -0.187 -3.425
253 HD12 LEU 31 HD12 LEU 31 5.289 0.315 -5.058
254 HD13 LEU 31 HD13 LEU 31 4.346 -0.928 -4.238
255 HD21 LEU 31 HD21 LEU 31 4.182 0.439 -1.494
256 HD22 LEU 31 HD22 LEU 31 2.869 -0.346 -2.372
257 HD23 LEU 31 HD23 LEU 31 2.702 1.330 -1.846
258 H ARG 32 HN ARG 32 6.197 4.818 -1.612
259 HA ARG 32 HA ARG 32 8.425 5.318 -3.373
260 HB2 ARG 32 HB2 ARG 32 6.729 7.052 -2.804
261 HB3 ARG 32 HB1 ARG 32 7.306 7.037 -1.146
262 HG2 ARG 32 HG2 ARG 32 9.456 7.878 -1.837
263 HG3 ARG 32 HG1 ARG 32 8.984 7.774 -3.535
264 HD2 ARG 32 HD2 ARG 32 7.690 9.524 -1.446
265 HD3 ARG 32 HD1 ARG 32 8.811 10.066 -2.695
266 HE ARG 32 HE ARG 32 6.981 9.033 -4.235
267 HH11 ARG 32 HH11 ARG 32 6.462 10.887 -1.309
268 HH12 ARG 32 HH12 ARG 32 4.921 11.494 -1.822
269 HH21 ARG 32 HH21 ARG 32 4.947 9.833 -4.902
270 HH22 ARG 32 HH22 ARG 32 4.066 10.905 -3.860
271 H SER 33 HN SER 33 7.943 4.137 -0.231
272 HA SER 33 HA SER 33 10.514 4.816 0.842
273 HB2 SER 33 HB2 SER 33 8.523 4.479 2.271
274 HB3 SER 33 HB1 SER 33 8.470 2.787 1.787
275 HG SER 33 HG SER 33 10.632 4.062 3.135
276 H ARG 34 HN ARG 34 9.630 2.743 -1.559
277 HA ARG 34 HA ARG 34 11.187 0.440 -0.997
278 HB2 ARG 34 HB2 ARG 34 10.355 1.663 -3.629
279 HB3 ARG 34 HB1 ARG 34 11.171 0.114 -3.484
280 HG2 ARG 34 HG2 ARG 34 9.298 -0.734 -2.150
281 HG3 ARG 34 HG1 ARG 34 8.476 0.816 -2.347
282 HD2 ARG 34 HD2 ARG 34 9.302 -1.025 -4.589
283 HD3 ARG 34 HD1 ARG 34 7.670 -0.878 -3.938
284 HE ARG 34 HE ARG 34 8.281 1.662 -4.647
285 HH11 ARG 34 HH11 ARG 34 8.421 -1.397 -6.340
286 HH12 ARG 34 HH12 ARG 34 8.113 -0.701 -7.898
287 HH21 ARG 34 HH21 ARG 34 7.862 2.586 -6.691
288 HH22 ARG 34 HH22 ARG 34 7.787 1.573 -8.097
289 H ARG 35 HN ARG 35 11.919 3.624 -2.059
290 HA ARG 35 HA ARG 35 14.479 3.155 -3.172
291 HB2 ARG 35 HB2 ARG 35 13.030 5.202 -3.465
292 HB3 ARG 35 HB1 ARG 35 13.484 5.675 -1.837
293 HG2 ARG 35 HG2 ARG 35 15.807 5.837 -2.503
294 HG3 ARG 35 HG1 ARG 35 15.395 5.287 -4.129
295 HD2 ARG 35 HD2 ARG 35 13.938 7.245 -4.402
296 HD3 ARG 35 HD1 ARG 35 14.398 7.802 -2.795
297 HE ARG 35 HE ARG 35 16.644 7.378 -4.520
298 HH11 ARG 35 HH11 ARG 35 14.126 9.639 -3.648
299 HH12 ARG 35 HH12 ARG 35 15.028 11.037 -4.135
300 HH21 ARG 35 HH21 ARG 35 17.824 9.214 -5.205
301 HH22 ARG 35 HH22 ARG 35 17.124 10.790 -5.044
302 H GLU 36 HN GLU 36 13.293 3.115 0.018
303 HA GLU 36 HA GLU 36 15.897 3.627 1.239
304 HB2 GLU 36 HB2 GLU 36 13.255 2.918 2.526
305 HB3 GLU 36 HB1 GLU 36 14.712 3.421 3.369
306 HG2 GLU 36 HG2 GLU 36 14.572 5.612 2.312
307 HG3 GLU 36 HG1 GLU 36 13.117 5.105 1.454
308 H GLN 37 HN GLN 37 14.511 1.096 -0.253
309 HA GLN 37 HA GLN 37 15.237 -0.945 1.708
310 HB2 GLN 37 HB2 GLN 37 13.947 -1.185 -1.013
311 HB3 GLN 37 HB1 GLN 37 14.232 -2.522 0.089
312 HG2 GLN 37 HG2 GLN 37 12.723 -1.527 1.710
313 HG3 GLN 37 HG1 GLN 37 12.460 -0.154 0.637
314 HE21 GLN 37 HE21 GLN 37 12.506 -1.871 -1.750
315 HE22 GLN 37 HE22 GLN 37 10.978 -2.684 -1.771
316 H LYS 38 HN LYS 38 16.253 -2.960 0.630
317 HA LYS 38 HA LYS 38 18.404 -2.140 -1.198
318 HB2 LYS 38 HB2 LYS 38 19.863 -3.795 0.058
319 HB3 LYS 38 HB1 LYS 38 19.474 -2.309 0.911
320 HG2 LYS 38 HG2 LYS 38 17.595 -3.629 2.013
321 HG3 LYS 38 HG1 LYS 38 18.391 -5.067 1.374
322 HD2 LYS 38 HD2 LYS 38 19.673 -3.012 3.169
323 HD3 LYS 38 HD1 LYS 38 19.051 -4.574 3.693
324 HE2 LYS 38 HE2 LYS 38 21.236 -4.198 1.653
325 HE3 LYS 38 HE1 LYS 38 21.510 -4.527 3.360
326 HZ1 LYS 38 HZ1 LYS 38 21.630 -6.531 1.970
327 HZ2 LYS 38 HZ2 LYS 38 20.012 -6.312 1.518
328 HZ3 LYS 38 HZ3 LYS 38 20.400 -6.631 3.131
329 HA PRO 39 HA PRO 39 16.345 -5.158 -3.787
330 HB2 PRO 39 HB2 PRO 39 19.025 -4.923 -5.087
331 HB3 PRO 39 HB1 PRO 39 17.414 -4.889 -5.817
332 HG2 PRO 39 HG2 PRO 39 18.768 -2.636 -5.462
333 HG3 PRO 39 HG1 PRO 39 17.021 -2.694 -5.163
334 HD2 PRO 39 HD2 PRO 39 19.276 -2.608 -3.219
335 HD3 PRO 39 HD1 PRO 39 17.649 -1.918 -3.093
336 H HIS 40 HN HIS 40 19.752 -5.553 -2.859
337 HA HIS 40 HA HIS 40 19.139 -8.196 -1.866
338 HB2 HIS 40 HB2 HIS 40 19.746 -8.564 -4.274
339 HB3 HIS 40 HB1 HIS 40 21.328 -7.881 -3.932
340 HD1 HIS 40 HD1 HIS 40 19.488 -11.017 -3.919
341 HD2 HIS 40 HD2 HIS 40 22.848 -9.492 -2.001
342 HE1 HIS 40 HE1 HIS 40 20.709 -13.013 -3.006
343 HE2 HIS 40 HE2 HIS 40 22.770 -12.076 -1.901
344 H LYS 41 HN LYS 41 22.211 -6.735 -2.831
345 HA LYS 41 HA LYS 41 24.141 -6.411 -1.658
346 HB2 LYS 41 HB2 LYS 41 22.777 -4.340 -1.308
347 HB3 LYS 41 HB1 LYS 41 22.276 -4.995 0.241
348 HG2 LYS 41 HG2 LYS 41 24.593 -5.009 0.996
349 HG3 LYS 41 HG1 LYS 41 25.108 -4.372 -0.567
350 HD2 LYS 41 HD2 LYS 41 23.666 -2.384 -0.159
351 HD3 LYS 41 HD1 LYS 41 23.331 -3.012 1.455
352 HE2 LYS 41 HE2 LYS 41 26.054 -2.305 0.369
353 HE3 LYS 41 HE1 LYS 41 25.104 -1.320 1.480
354 HZ1 LYS 41 HZ1 LYS 41 26.762 -2.588 2.667
355 HZ2 LYS 41 HZ2 LYS 41 26.168 -4.036 2.031
356 HZ3 LYS 41 HZ3 LYS 41 25.219 -3.129 3.093
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 -15.721 11.427 0.878
2 H2 GLY 1 HT2 GLY 1 -15.820 11.927 -0.733
3 H3 GLY 1 HT3 GLY 1 -16.914 10.789 -0.138
4 HA2 GLY 1 HA1 GLY 1 -16.717 13.618 0.721
5 HA3 GLY 1 HA2 GLY 1 -17.956 12.955 -0.333
6 H ALA 2 HN ALA 2 -19.598 13.588 1.118
7 HA ALA 2 HA ALA 2 -19.541 12.546 3.823
8 HB1 ALA 2 HB1 ALA 2 -20.357 14.815 3.412
9 HB2 ALA 2 HB2 ALA 2 -21.601 13.801 4.144
10 HB3 ALA 2 HB3 ALA 2 -21.662 14.164 2.419
11 H MET 3 HN MET 3 -20.504 11.410 0.836
12 HA MET 3 HA MET 3 -22.253 9.427 2.131
13 HB2 MET 3 HB2 MET 3 -22.529 10.660 -0.611
14 HB3 MET 3 HB1 MET 3 -23.362 9.184 -0.140
15 HG2 MET 3 HG2 MET 3 -24.472 10.404 1.675
16 HG3 MET 3 HG1 MET 3 -23.660 11.882 1.162
17 HE1 MET 3 HE1 MET 3 -25.276 12.615 -2.294
18 HE2 MET 3 HE2 MET 3 -23.758 11.777 -1.973
19 HE3 MET 3 HE3 MET 3 -24.198 13.198 -1.026
20 H GLU 4 HN GLU 4 -19.552 9.139 2.062
21 HA GLU 4 HA GLU 4 -19.138 7.086 -0.012
22 HB2 GLU 4 HB2 GLU 4 -17.673 9.194 -0.064
23 HB3 GLU 4 HB1 GLU 4 -16.939 8.581 1.409
24 HG2 GLU 4 HG2 GLU 4 -16.283 6.541 0.209
25 HG3 GLU 4 HG1 GLU 4 -16.977 7.208 -1.268
26 H VAL 5 HN VAL 5 -20.489 6.234 2.064
27 HA VAL 5 HA VAL 5 -18.824 5.363 4.235
28 HB VAL 5 HB VAL 5 -20.801 4.078 4.987
29 HG11 VAL 5 HG11 VAL 5 -21.361 6.945 4.237
30 HG12 VAL 5 HG12 VAL 5 -20.521 6.390 5.684
31 HG13 VAL 5 HG13 VAL 5 -22.230 6.018 5.459
32 HG21 VAL 5 HG21 VAL 5 -22.157 5.227 2.549
33 HG22 VAL 5 HG22 VAL 5 -22.923 4.278 3.823
34 HG23 VAL 5 HG23 VAL 5 -21.718 3.534 2.773
35 H GLN 6 HN GLN 6 -19.826 4.115 1.163
36 HA GLN 6 HA GLN 6 -18.945 1.434 1.644
37 HB2 GLN 6 HB2 GLN 6 -20.553 1.986 -0.161
38 HB3 GLN 6 HB1 GLN 6 -19.297 2.903 -0.978
39 HG2 GLN 6 HG2 GLN 6 -19.565 0.735 -2.006
40 HG3 GLN 6 HG1 GLN 6 -17.979 0.866 -1.251
41 HE21 GLN 6 HE21 GLN 6 -20.938 0.320 0.539
42 HE22 GLN 6 HE22 GLN 6 -20.567 -1.300 1.019
43 H THR 7 HN THR 7 -16.906 1.289 2.351
44 HA THR 7 HA THR 7 -14.764 2.155 0.603
45 HB THR 7 HB THR 7 -15.163 4.145 1.968
46 HG1 THR 7 HG1 THR 7 -13.058 4.172 1.667
47 HG21 THR 7 HG21 THR 7 -16.181 3.096 3.913
48 HG22 THR 7 HG22 THR 7 -14.825 4.117 4.392
49 HG23 THR 7 HG23 THR 7 -14.635 2.365 4.344
50 H SER 8 HN SER 8 -15.949 -0.335 1.673
51 HA SER 8 HA SER 8 -13.730 -1.414 3.240
52 HB2 SER 8 HB2 SER 8 -16.321 -2.743 2.406
53 HB3 SER 8 HB1 SER 8 -15.146 -3.373 3.561
54 HG SER 8 HG SER 8 -16.204 -2.293 5.009
55 H GLN 9 HN GLN 9 -12.793 -3.495 2.567
56 HA GLN 9 HA GLN 9 -11.696 -4.827 1.106
57 HB2 GLN 9 HB2 GLN 9 -13.995 -4.156 -0.734
58 HB3 GLN 9 HB1 GLN 9 -12.790 -5.397 -1.048
59 HG2 GLN 9 HG2 GLN 9 -14.738 -5.347 1.244
60 HG3 GLN 9 HG1 GLN 9 -14.825 -6.374 -0.185
61 HE21 GLN 9 HE21 GLN 9 -13.385 -8.091 -0.399
62 HE22 GLN 9 HE22 GLN 9 -12.489 -8.706 0.948
63 H LYS 10 HN LYS 10 -10.845 -2.205 1.342
64 HA LYS 10 HA LYS 10 -9.951 -1.519 -1.373
65 HB2 LYS 10 HB2 LYS 10 -9.825 0.054 1.207
66 HB3 LYS 10 HB1 LYS 10 -9.132 0.589 -0.316
67 HG2 LYS 10 HG2 LYS 10 -11.371 0.568 -1.325
68 HG3 LYS 10 HG1 LYS 10 -12.049 0.086 0.232
69 HD2 LYS 10 HD2 LYS 10 -12.289 2.489 -0.119
70 HD3 LYS 10 HD1 LYS 10 -11.210 2.157 1.235
71 HE2 LYS 10 HE2 LYS 10 -9.276 2.554 -0.182
72 HE3 LYS 10 HE1 LYS 10 -10.326 2.816 -1.571
73 HZ1 LYS 10 HZ1 LYS 10 -10.234 4.492 0.876
74 HZ2 LYS 10 HZ2 LYS 10 -11.261 4.741 -0.440
75 HZ3 LYS 10 HZ3 LYS 10 -9.591 4.900 -0.633
76 H SER 11 HN SER 11 -8.823 -3.739 -0.695
77 HA SER 11 HA SER 11 -6.555 -3.472 1.038
78 HB2 SER 11 HB2 SER 11 -7.226 -5.728 -0.859
79 HB3 SER 11 HB1 SER 11 -6.157 -5.798 0.543
80 HG SER 11 HG SER 11 -8.422 -4.898 1.467
81 H TYR 12 HN TYR 12 -5.106 -1.999 0.214
82 HA TYR 12 HA TYR 12 -4.009 -2.451 -2.452
83 HB2 TYR 12 HB2 TYR 12 -3.117 -0.483 -0.332
84 HB3 TYR 12 HB1 TYR 12 -2.638 -0.488 -2.026
85 HD1 TYR 12 HD1 TYR 12 -4.717 1.049 0.294
86 HD2 TYR 12 HD2 TYR 12 -4.736 -0.428 -3.691
87 HE1 TYR 12 HE1 TYR 12 -6.604 2.528 -0.243
88 HE2 TYR 12 HE2 TYR 12 -6.613 1.046 -4.239
89 HH TYR 12 HH TYR 12 -7.610 3.587 -2.227
90 H VAL 13 HN VAL 13 -2.453 -3.926 -2.729
91 HA VAL 13 HA VAL 13 -0.961 -4.779 -0.342
92 HB VAL 13 HB VAL 13 -1.365 -6.373 -2.872
93 HG11 VAL 13 HG11 VAL 13 -0.695 -8.270 -1.480
94 HG12 VAL 13 HG12 VAL 13 -0.467 -7.186 -0.109
95 HG13 VAL 13 HG13 VAL 13 0.560 -7.033 -1.536
96 HG21 VAL 13 HG21 VAL 13 -3.075 -7.643 -1.643
97 HG22 VAL 13 HG22 VAL 13 -3.541 -5.958 -1.874
98 HG23 VAL 13 HG23 VAL 13 -2.948 -6.500 -0.306
99 H CYS 14 HN CYS 14 1.090 -4.137 -0.271
100 HA CYS 14 HA CYS 14 2.584 -3.451 -2.633
101 HB2 CYS 14 HB2 CYS 14 3.174 -2.300 -0.611
102 HB3 CYS 14 HB1 CYS 14 3.367 -3.812 0.266
103 HA PRO 15 HA PRO 15 3.412 -7.751 -3.495
104 HB2 PRO 15 HB2 PRO 15 5.047 -7.353 -5.632
105 HB3 PRO 15 HB1 PRO 15 3.288 -7.209 -5.724
106 HG2 PRO 15 HG2 PRO 15 5.353 -5.060 -5.450
107 HG3 PRO 15 HG1 PRO 15 3.912 -5.099 -6.482
108 HD2 PRO 15 HD2 PRO 15 3.981 -3.743 -4.148
109 HD3 PRO 15 HD1 PRO 15 2.501 -4.519 -4.750
110 H ASN 16 HN ASN 16 5.651 -5.349 -2.587
111 HA ASN 16 HA ASN 16 7.943 -7.132 -2.617
112 HB2 ASN 16 HB2 ASN 16 8.250 -4.808 -3.319
113 HB3 ASN 16 HB1 ASN 16 7.690 -4.244 -1.749
114 HD21 ASN 16 HD21 ASN 16 10.263 -5.857 -3.464
115 HD22 ASN 16 HD22 ASN 16 11.475 -5.634 -2.250
116 H CYS 17 HN CYS 17 5.600 -5.907 -0.336
117 HA CYS 17 HA CYS 17 7.170 -7.150 1.831
118 HB2 CYS 17 HB2 CYS 17 5.261 -4.843 2.184
119 HB3 CYS 17 HB1 CYS 17 6.388 -5.496 3.368
120 H GLY 18 HN GLY 18 4.147 -7.070 0.203
121 HA2 GLY 18 HA2 GLY 18 2.269 -8.394 0.513
122 HA3 GLY 18 HA1 GLY 18 3.031 -9.088 1.940
123 H LYS 19 HN LYS 19 3.176 -5.771 2.042
124 HA LYS 19 HA LYS 19 1.452 -5.624 4.310
125 HB2 LYS 19 HB2 LYS 19 3.614 -4.313 3.865
126 HB3 LYS 19 HB1 LYS 19 2.643 -3.289 2.820
127 HG2 LYS 19 HG2 LYS 19 2.697 -2.139 4.829
128 HG3 LYS 19 HG1 LYS 19 1.139 -2.964 4.872
129 HD2 LYS 19 HD2 LYS 19 2.097 -4.716 6.265
130 HD3 LYS 19 HD1 LYS 19 3.672 -3.936 6.190
131 HE2 LYS 19 HE2 LYS 19 2.602 -3.413 8.293
132 HE3 LYS 19 HE1 LYS 19 2.726 -1.961 7.304
133 HZ1 LYS 19 HZ1 LYS 19 0.403 -2.241 6.677
134 HZ2 LYS 19 HZ2 LYS 19 0.570 -2.113 8.352
135 HZ3 LYS 19 HZ3 LYS 19 0.288 -3.623 7.647
136 H ILE 20 HN ILE 20 -0.622 -4.964 4.418
137 HA ILE 20 HA ILE 20 -1.902 -4.092 1.921
138 HB ILE 20 HB ILE 20 -3.163 -5.354 4.360
139 HG12 ILE 20 HG12 ILE 20 -2.587 -6.461 1.608
140 HG13 ILE 20 HG11 ILE 20 -1.768 -6.918 3.095
141 HG21 ILE 20 HG21 ILE 20 -4.694 -3.832 3.236
142 HG22 ILE 20 HG22 ILE 20 -5.185 -5.506 2.971
143 HG23 ILE 20 HG23 ILE 20 -4.361 -4.615 1.690
144 HD11 ILE 20 HD11 ILE 20 -3.393 -8.591 2.443
145 HD12 ILE 20 HD12 ILE 20 -4.669 -7.375 2.458
146 HD13 ILE 20 HD13 ILE 20 -3.865 -7.826 3.961
147 H PHE 21 HN PHE 21 -2.685 -2.113 1.773
148 HA PHE 21 HA PHE 21 -3.037 -0.533 4.229
149 HB2 PHE 21 HB2 PHE 21 -2.088 0.335 1.495
150 HB3 PHE 21 HB1 PHE 21 -2.555 1.461 2.765
151 HD1 PHE 21 HD1 PHE 21 -0.081 -1.030 1.714
152 HD2 PHE 21 HD2 PHE 21 -1.136 1.867 4.644
153 HE1 PHE 21 HE1 PHE 21 2.197 -1.130 2.628
154 HE2 PHE 21 HE2 PHE 21 1.136 1.766 5.564
155 HZ PHE 21 HZ PHE 21 2.811 0.294 4.546
156 H ARG 22 HN ARG 22 -4.804 0.902 4.265
157 HA ARG 22 HA ARG 22 -6.933 0.165 2.384
158 HB2 ARG 22 HB2 ARG 22 -7.225 -0.133 4.894
159 HB3 ARG 22 HB1 ARG 22 -7.273 1.623 4.997
160 HG2 ARG 22 HG2 ARG 22 -9.181 1.616 3.427
161 HG3 ARG 22 HG1 ARG 22 -9.161 -0.148 3.477
162 HD2 ARG 22 HD2 ARG 22 -9.552 -0.089 5.885
163 HD3 ARG 22 HD1 ARG 22 -9.558 1.673 5.849
164 HE ARG 22 HE ARG 22 -11.483 0.614 4.053
165 HH11 ARG 22 HH11 ARG 22 -10.888 1.176 7.458
166 HH12 ARG 22 HH12 ARG 22 -12.570 1.317 7.858
167 HH21 ARG 22 HH21 ARG 22 -13.690 0.769 4.579
168 HH22 ARG 22 HH22 ARG 22 -14.169 1.056 6.224
169 H TRP 23 HN TRP 23 -4.889 2.725 3.365
170 HA TRP 23 HA TRP 23 -6.475 4.673 1.833
171 HB2 TRP 23 HB2 TRP 23 -4.138 5.242 3.670
172 HB3 TRP 23 HB1 TRP 23 -5.243 6.414 2.965
173 HD1 TRP 23 HD1 TRP 23 -4.756 4.257 5.967
174 HE1 TRP 23 HE1 TRP 23 -6.767 4.495 7.562
175 HE3 TRP 23 HE3 TRP 23 -7.954 6.786 2.879
176 HZ2 TRP 23 HZ2 TRP 23 -9.356 5.608 7.511
177 HZ3 TRP 23 HZ3 TRP 23 -10.177 7.399 3.743
178 HH2 TRP 23 HH2 TRP 23 -10.859 6.822 6.007
179 H ARG 24 HN ARG 24 -5.670 5.502 -0.007
180 HA ARG 24 HA ARG 24 -3.479 4.169 -1.249
181 HB2 ARG 24 HB2 ARG 24 -5.506 5.001 -2.450
182 HB3 ARG 24 HB1 ARG 24 -4.936 6.644 -2.187
183 HG2 ARG 24 HG2 ARG 24 -2.906 6.119 -3.476
184 HG3 ARG 24 HG1 ARG 24 -3.546 4.502 -3.782
185 HD2 ARG 24 HD2 ARG 24 -4.808 7.110 -4.623
186 HD3 ARG 24 HD1 ARG 24 -3.966 5.976 -5.676
187 HE ARG 24 HE ARG 24 -5.841 4.384 -4.779
188 HH11 ARG 24 HH11 ARG 24 -6.130 7.745 -5.724
189 HH12 ARG 24 HH12 ARG 24 -7.791 7.604 -6.195
190 HH21 ARG 24 HH21 ARG 24 -8.039 4.197 -5.402
191 HH22 ARG 24 HH22 ARG 24 -8.872 5.584 -6.025
192 H VAL 25 HN VAL 25 -3.836 7.185 0.480
193 HA VAL 25 HA VAL 25 -1.605 8.507 -0.656
194 HB VAL 25 HB VAL 25 -1.712 10.005 1.350
195 HG11 VAL 25 HG11 VAL 25 -4.278 9.498 -0.151
196 HG12 VAL 25 HG12 VAL 25 -2.944 10.533 -0.661
197 HG13 VAL 25 HG13 VAL 25 -3.904 10.963 0.753
198 HG21 VAL 25 HG21 VAL 25 -3.645 9.774 2.855
199 HG22 VAL 25 HG22 VAL 25 -2.526 8.419 3.001
200 HG23 VAL 25 HG23 VAL 25 -4.031 8.226 2.105
201 H ASN 26 HN ASN 26 -1.949 6.652 2.361
202 HA ASN 26 HA ASN 26 0.836 6.891 2.954
203 HB2 ASN 26 HB2 ASN 26 0.382 5.212 4.747
204 HB3 ASN 26 HB1 ASN 26 -0.616 6.647 4.837
205 HD21 ASN 26 HD21 ASN 26 -0.989 3.704 2.876
206 HD22 ASN 26 HD22 ASN 26 -2.534 3.291 3.528
207 H PHE 27 HN PHE 27 -1.113 4.761 1.107
208 HA PHE 27 HA PHE 27 0.620 2.522 0.965
209 HB2 PHE 27 HB2 PHE 27 -1.731 2.432 0.236
210 HB3 PHE 27 HB1 PHE 27 -1.360 3.539 -1.083
211 HD1 PHE 27 HD1 PHE 27 -0.233 0.262 0.303
212 HD2 PHE 27 HD2 PHE 27 -0.893 2.669 -3.137
213 HE1 PHE 27 HE1 PHE 27 0.341 -1.645 -1.138
214 HE2 PHE 27 HE2 PHE 27 -0.319 0.771 -4.585
215 HZ PHE 27 HZ PHE 27 0.377 -1.393 -3.536
216 H ILE 28 HN ILE 28 0.184 5.325 -1.188
217 HA ILE 28 HA ILE 28 2.286 4.695 -2.937
218 HB ILE 28 HB ILE 28 1.229 7.443 -2.247
219 HG12 ILE 28 HG12 ILE 28 -0.578 6.018 -3.003
220 HG13 ILE 28 HG11 ILE 28 -0.161 7.145 -4.290
221 HG21 ILE 28 HG21 ILE 28 2.761 6.481 -4.659
222 HG22 ILE 28 HG22 ILE 28 3.371 7.548 -3.395
223 HG23 ILE 28 HG23 ILE 28 2.072 8.091 -4.456
224 HD11 ILE 28 HD11 ILE 28 -0.582 4.954 -5.198
225 HD12 ILE 28 HD12 ILE 28 0.624 4.243 -4.127
226 HD13 ILE 28 HD13 ILE 28 1.123 5.362 -5.397
227 H ARG 29 HN ARG 29 2.214 6.371 0.144
228 HA ARG 29 HA ARG 29 4.828 7.381 0.178
229 HB2 ARG 29 HB2 ARG 29 3.129 7.971 1.853
230 HB3 ARG 29 HB1 ARG 29 3.146 6.325 2.460
231 HG2 ARG 29 HG2 ARG 29 4.410 7.802 3.915
232 HG3 ARG 29 HG1 ARG 29 5.453 6.582 3.187
233 HD2 ARG 29 HD2 ARG 29 6.128 8.274 1.484
234 HD3 ARG 29 HD1 ARG 29 5.200 9.476 2.379
235 HE ARG 29 HE ARG 29 6.879 8.380 4.235
236 HH11 ARG 29 HH11 ARG 29 7.309 10.043 1.176
237 HH12 ARG 29 HH12 ARG 29 8.904 10.604 1.572
238 HH21 ARG 29 HH21 ARG 29 8.957 9.149 4.755
239 HH22 ARG 29 HH22 ARG 29 9.831 10.123 3.609
240 H HIS 30 HN HIS 30 3.539 4.260 1.229
241 HA HIS 30 HA HIS 30 6.026 3.197 2.103
242 HB2 HIS 30 HB2 HIS 30 4.026 2.335 3.058
243 HB3 HIS 30 HB1 HIS 30 3.331 1.993 1.482
244 HD1 HIS 30 HD1 HIS 30 6.230 0.722 3.645
245 HD2 HIS 30 HD2 HIS 30 3.541 -0.544 0.739
246 HE1 HIS 30 HE1 HIS 30 6.563 -1.780 3.396
247 H LEU 31 HN LEU 31 4.248 3.070 -0.940
248 HA LEU 31 HA LEU 31 6.048 1.197 -2.156
249 HB2 LEU 31 HB2 LEU 31 3.700 2.772 -3.016
250 HB3 LEU 31 HB1 LEU 31 4.838 2.333 -4.272
251 HG LEU 31 HG LEU 31 2.952 0.741 -4.048
252 HD11 LEU 31 HD11 LEU 31 4.331 -1.295 -4.042
253 HD12 LEU 31 HD12 LEU 31 5.692 -0.356 -3.426
254 HD13 LEU 31 HD13 LEU 31 5.032 -0.009 -5.024
255 HD21 LEU 31 HD21 LEU 31 2.919 -0.790 -2.137
256 HD22 LEU 31 HD22 LEU 31 2.622 0.878 -1.644
257 HD23 LEU 31 HD23 LEU 31 4.202 0.146 -1.371
258 H ARG 32 HN ARG 32 5.839 4.655 -1.912
259 HA ARG 32 HA ARG 32 7.660 5.373 -3.925
260 HB2 ARG 32 HB2 ARG 32 6.110 6.874 -2.591
261 HB3 ARG 32 HB1 ARG 32 7.267 6.770 -1.276
262 HG2 ARG 32 HG2 ARG 32 8.931 7.898 -2.553
263 HG3 ARG 32 HG1 ARG 32 7.941 7.814 -4.014
264 HD2 ARG 32 HD2 ARG 32 6.246 9.217 -2.942
265 HD3 ARG 32 HD1 ARG 32 7.238 9.307 -1.488
266 HE ARG 32 HE ARG 32 8.854 10.227 -3.491
267 HH11 ARG 32 HH11 ARG 32 5.690 11.088 -2.273
268 HH12 ARG 32 HH12 ARG 32 5.852 12.770 -2.666
269 HH21 ARG 32 HH21 ARG 32 9.084 12.441 -3.999
270 HH22 ARG 32 HH22 ARG 32 7.796 13.545 -3.632
271 H SER 33 HN SER 33 8.085 4.468 -0.553
272 HA SER 33 HA SER 33 11.000 4.502 -0.896
273 HB2 SER 33 HB2 SER 33 9.424 4.179 1.668
274 HB3 SER 33 HB1 SER 33 11.145 4.531 1.510
275 HG SER 33 HG SER 33 8.929 6.201 1.014
276 H ARG 34 HN ARG 34 9.651 2.488 -2.214
277 HA ARG 34 HA ARG 34 9.362 0.122 -0.668
278 HB2 ARG 34 HB2 ARG 34 8.902 -1.007 -2.677
279 HB3 ARG 34 HB1 ARG 34 8.282 0.617 -2.928
280 HG2 ARG 34 HG2 ARG 34 10.930 -0.399 -3.952
281 HG3 ARG 34 HG1 ARG 34 9.442 -0.307 -4.892
282 HD2 ARG 34 HD2 ARG 34 9.405 2.119 -4.604
283 HD3 ARG 34 HD1 ARG 34 10.876 2.033 -3.636
284 HE ARG 34 HE ARG 34 11.500 0.824 -6.026
285 HH11 ARG 34 HH11 ARG 34 10.396 3.994 -5.017
286 HH12 ARG 34 HH12 ARG 34 11.146 4.817 -6.346
287 HH21 ARG 34 HH21 ARG 34 12.498 1.912 -7.768
288 HH22 ARG 34 HH22 ARG 34 12.347 3.635 -7.903
289 H ARG 35 HN ARG 35 10.649 -1.788 -0.752
290 HA ARG 35 HA ARG 35 12.579 -2.933 -0.463
291 HB2 ARG 35 HB2 ARG 35 13.513 -1.194 -2.754
292 HB3 ARG 35 HB1 ARG 35 14.388 -2.588 -2.136
293 HG2 ARG 35 HG2 ARG 35 12.365 -3.970 -2.676
294 HG3 ARG 35 HG1 ARG 35 11.711 -2.555 -3.500
295 HD2 ARG 35 HD2 ARG 35 13.590 -2.523 -5.016
296 HD3 ARG 35 HD1 ARG 35 14.355 -3.851 -4.145
297 HE ARG 35 HE ARG 35 11.714 -4.351 -5.272
298 HH11 ARG 35 HH11 ARG 35 15.183 -4.720 -5.566
299 HH12 ARG 35 HH12 ARG 35 15.078 -6.045 -6.676
300 HH21 ARG 35 HH21 ARG 35 11.575 -6.098 -6.745
301 HH22 ARG 35 HH22 ARG 35 13.029 -6.822 -7.356
302 H GLU 36 HN GLU 36 12.109 -0.746 1.181
303 HA GLU 36 HA GLU 36 14.797 -0.163 2.079
304 HB2 GLU 36 HB2 GLU 36 14.358 1.697 0.560
305 HB3 GLU 36 HB1 GLU 36 12.829 2.022 1.364
306 HG2 GLU 36 HG2 GLU 36 14.615 3.592 1.986
307 HG3 GLU 36 HG1 GLU 36 13.959 2.708 3.361
308 H GLN 37 HN GLN 37 14.889 -0.164 4.226
309 HA GLN 37 HA GLN 37 12.407 -0.611 5.684
310 HB2 GLN 37 HB2 GLN 37 15.301 -0.940 6.497
311 HB3 GLN 37 HB1 GLN 37 13.925 -1.320 7.523
312 HG2 GLN 37 HG2 GLN 37 14.485 -2.612 4.865
313 HG3 GLN 37 HG1 GLN 37 14.921 -3.296 6.430
314 HE21 GLN 37 HE21 GLN 37 12.521 -2.393 7.759
315 HE22 GLN 37 HE22 GLN 37 11.234 -3.394 7.189
316 H LYS 38 HN LYS 38 14.960 1.713 5.329
317 HA LYS 38 HA LYS 38 13.701 3.357 7.428
318 HB2 LYS 38 HB2 LYS 38 16.622 3.229 6.663
319 HB3 LYS 38 HB1 LYS 38 15.934 4.376 7.800
320 HG2 LYS 38 HG2 LYS 38 15.263 2.515 9.252
321 HG3 LYS 38 HG1 LYS 38 15.998 1.382 8.118
322 HD2 LYS 38 HD2 LYS 38 18.176 2.401 8.484
323 HD3 LYS 38 HD1 LYS 38 17.454 3.594 9.562
324 HE2 LYS 38 HE2 LYS 38 18.507 1.854 10.864
325 HE3 LYS 38 HE1 LYS 38 16.759 1.780 11.071
326 HZ1 LYS 38 HZ1 LYS 38 16.658 -0.061 9.551
327 HZ2 LYS 38 HZ2 LYS 38 17.783 -0.410 10.761
328 HZ3 LYS 38 HZ3 LYS 38 18.314 0.052 9.226
329 HA PRO 39 HA PRO 39 12.885 5.698 3.602
330 HB2 PRO 39 HB2 PRO 39 11.448 7.333 5.629
331 HB3 PRO 39 HB1 PRO 39 10.884 6.723 4.070
332 HG2 PRO 39 HG2 PRO 39 10.056 5.606 6.340
333 HG3 PRO 39 HG1 PRO 39 10.415 4.612 4.915
334 HD2 PRO 39 HD2 PRO 39 12.045 5.045 7.385
335 HD3 PRO 39 HD1 PRO 39 11.805 3.562 6.437
336 H HIS 40 HN HIS 40 14.503 6.942 2.937
337 HA HIS 40 HA HIS 40 16.039 8.532 4.794
338 HB2 HIS 40 HB2 HIS 40 16.322 8.314 1.789
339 HB3 HIS 40 HB1 HIS 40 17.503 8.994 2.903
340 HD1 HIS 40 HD1 HIS 40 18.755 7.277 4.471
341 HD2 HIS 40 HD2 HIS 40 16.399 5.576 1.507
342 HE1 HIS 40 HE1 HIS 40 19.460 4.868 4.349
343 HE2 HIS 40 HE2 HIS 40 17.861 3.817 2.701
344 H LYS 41 HN LYS 41 13.587 9.010 2.394
345 HA LYS 41 HA LYS 41 13.505 11.845 3.116
346 HB2 LYS 41 HB2 LYS 41 12.885 12.346 0.711
347 HB3 LYS 41 HB1 LYS 41 14.568 11.933 1.003
348 HG2 LYS 41 HG2 LYS 41 14.153 9.663 0.208
349 HG3 LYS 41 HG1 LYS 41 12.463 10.074 -0.086
350 HD2 LYS 41 HD2 LYS 41 13.209 11.823 -1.670
351 HD3 LYS 41 HD1 LYS 41 14.874 11.301 -1.419
352 HE2 LYS 41 HE2 LYS 41 13.999 10.321 -3.449
353 HE3 LYS 41 HE1 LYS 41 14.281 9.065 -2.245
354 HZ1 LYS 41 HZ1 LYS 41 11.649 10.289 -2.880
355 HZ2 LYS 41 HZ2 LYS 41 11.920 9.076 -1.735
356 HZ3 LYS 41 HZ3 LYS 41 12.170 8.758 -3.374
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 -10.628 -6.872 14.237
2 H2 GLY 1 HT2 GLY 1 -9.949 -7.333 15.714
3 H3 GLY 1 HT3 GLY 1 -10.512 -8.510 14.641
4 HA2 GLY 1 HA1 GLY 1 -8.105 -8.389 14.578
5 HA3 GLY 1 HA2 GLY 1 -8.814 -7.919 13.039
6 H ALA 2 HN ALA 2 -6.346 -7.079 13.327
7 HA ALA 2 HA ALA 2 -6.249 -4.504 14.630
8 HB1 ALA 2 HB1 ALA 2 -4.286 -5.980 14.593
9 HB2 ALA 2 HB2 ALA 2 -3.949 -4.411 13.863
10 HB3 ALA 2 HB3 ALA 2 -4.213 -5.822 12.840
11 H MET 3 HN MET 3 -5.697 -5.556 11.267
12 HA MET 3 HA MET 3 -6.560 -2.874 10.400
13 HB2 MET 3 HB2 MET 3 -4.665 -4.769 9.001
14 HB3 MET 3 HB1 MET 3 -5.101 -3.155 8.459
15 HG2 MET 3 HG2 MET 3 -4.023 -2.169 10.369
16 HG3 MET 3 HG1 MET 3 -3.686 -3.762 11.043
17 HE1 MET 3 HE1 MET 3 -1.424 -1.596 10.771
18 HE2 MET 3 HE2 MET 3 -0.112 -2.572 10.114
19 HE3 MET 3 HE3 MET 3 -1.157 -3.234 11.369
20 H GLU 4 HN GLU 4 -7.405 -6.101 10.420
21 HA GLU 4 HA GLU 4 -8.641 -6.194 7.830
22 HB2 GLU 4 HB2 GLU 4 -8.463 -8.048 10.163
23 HB3 GLU 4 HB1 GLU 4 -9.705 -8.323 8.948
24 HG2 GLU 4 HG2 GLU 4 -6.781 -8.044 8.311
25 HG3 GLU 4 HG1 GLU 4 -7.584 -9.588 8.596
26 H VAL 5 HN VAL 5 -9.763 -4.114 8.351
27 HA VAL 5 HA VAL 5 -12.253 -4.432 9.823
28 HB VAL 5 HB VAL 5 -11.282 -2.092 8.161
29 HG11 VAL 5 HG11 VAL 5 -13.705 -2.116 8.507
30 HG12 VAL 5 HG12 VAL 5 -12.943 -0.792 9.387
31 HG13 VAL 5 HG13 VAL 5 -13.456 -2.244 10.248
32 HG21 VAL 5 HG21 VAL 5 -10.656 -1.058 10.296
33 HG22 VAL 5 HG22 VAL 5 -9.746 -2.539 9.996
34 HG23 VAL 5 HG23 VAL 5 -11.091 -2.546 11.137
35 H GLN 6 HN GLN 6 -14.300 -4.413 8.827
36 HA GLN 6 HA GLN 6 -14.435 -5.753 6.336
37 HB2 GLN 6 HB2 GLN 6 -16.090 -5.995 8.191
38 HB3 GLN 6 HB1 GLN 6 -16.679 -4.381 7.824
39 HG2 GLN 6 HG2 GLN 6 -18.151 -5.953 6.817
40 HG3 GLN 6 HG1 GLN 6 -17.232 -5.168 5.534
41 HE21 GLN 6 HE21 GLN 6 -18.613 -7.726 5.528
42 HE22 GLN 6 HE22 GLN 6 -17.423 -8.916 5.133
43 H THR 7 HN THR 7 -13.691 -4.651 4.621
44 HA THR 7 HA THR 7 -15.327 -2.625 3.482
45 HB THR 7 HB THR 7 -14.073 -1.169 5.008
46 HG1 THR 7 HG1 THR 7 -14.428 -0.041 3.199
47 HG21 THR 7 HG21 THR 7 -11.653 -0.909 4.816
48 HG22 THR 7 HG22 THR 7 -11.599 -2.203 3.619
49 HG23 THR 7 HG23 THR 7 -12.069 -2.559 5.282
50 H SER 8 HN SER 8 -14.614 -2.077 1.303
51 HA SER 8 HA SER 8 -12.962 -4.204 0.147
52 HB2 SER 8 HB2 SER 8 -15.301 -3.868 -0.713
53 HB3 SER 8 HB1 SER 8 -14.811 -2.274 -1.280
54 HG SER 8 HG SER 8 -13.675 -3.152 -2.858
55 H GLN 9 HN GLN 9 -12.547 -1.214 1.316
56 HA GLN 9 HA GLN 9 -10.782 -0.277 -0.831
57 HB2 GLN 9 HB2 GLN 9 -12.495 1.241 0.304
58 HB3 GLN 9 HB1 GLN 9 -11.460 1.180 1.721
59 HG2 GLN 9 HG2 GLN 9 -9.601 2.049 0.283
60 HG3 GLN 9 HG1 GLN 9 -10.800 2.304 -0.987
61 HE21 GLN 9 HE21 GLN 9 -9.594 3.364 2.075
62 HE22 GLN 9 HE22 GLN 9 -10.527 4.821 2.168
63 H LYS 10 HN LYS 10 -9.831 -2.518 0.346
64 HA LYS 10 HA LYS 10 -7.463 -1.508 1.719
65 HB2 LYS 10 HB2 LYS 10 -7.559 -3.268 3.418
66 HB3 LYS 10 HB1 LYS 10 -8.948 -2.199 3.531
67 HG2 LYS 10 HG2 LYS 10 -10.367 -3.830 2.495
68 HG3 LYS 10 HG1 LYS 10 -8.985 -4.871 2.151
69 HD2 LYS 10 HD2 LYS 10 -8.601 -5.118 4.574
70 HD3 LYS 10 HD1 LYS 10 -10.034 -4.134 4.884
71 HE2 LYS 10 HE2 LYS 10 -11.427 -5.776 3.756
72 HE3 LYS 10 HE1 LYS 10 -10.004 -6.739 3.365
73 HZ1 LYS 10 HZ1 LYS 10 -10.991 -6.155 6.105
74 HZ2 LYS 10 HZ2 LYS 10 -9.626 -7.091 5.723
75 HZ3 LYS 10 HZ3 LYS 10 -11.175 -7.621 5.279
76 H SER 11 HN SER 11 -8.168 -2.593 -0.917
77 HA SER 11 HA SER 11 -6.808 -5.169 -0.909
78 HB2 SER 11 HB2 SER 11 -8.222 -3.783 -3.189
79 HB3 SER 11 HB1 SER 11 -7.667 -5.456 -3.157
80 HG SER 11 HG SER 11 -9.111 -5.624 -1.230
81 H TYR 12 HN TYR 12 -5.296 -2.789 -0.421
82 HA TYR 12 HA TYR 12 -3.730 -2.540 -2.893
83 HB2 TYR 12 HB2 TYR 12 -3.467 -0.858 -0.397
84 HB3 TYR 12 HB1 TYR 12 -2.848 -0.502 -2.007
85 HD1 TYR 12 HD1 TYR 12 -5.674 -0.287 0.224
86 HD2 TYR 12 HD2 TYR 12 -4.462 0.087 -3.834
87 HE1 TYR 12 HE1 TYR 12 -7.744 0.921 -0.274
88 HE2 TYR 12 HE2 TYR 12 -6.532 1.310 -4.342
89 HH TYR 12 HH TYR 12 -8.860 1.466 -3.382
90 H VAL 13 HN VAL 13 -2.134 -3.943 -3.008
91 HA VAL 13 HA VAL 13 -0.824 -4.827 -0.524
92 HB VAL 13 HB VAL 13 -0.861 -6.264 -3.181
93 HG11 VAL 13 HG11 VAL 13 -0.070 -8.182 -1.884
94 HG12 VAL 13 HG12 VAL 13 -0.045 -7.187 -0.428
95 HG13 VAL 13 HG13 VAL 13 1.044 -6.820 -1.766
96 HG21 VAL 13 HG21 VAL 13 -2.490 -7.792 -2.182
97 HG22 VAL 13 HG22 VAL 13 -3.124 -6.150 -2.286
98 HG23 VAL 13 HG23 VAL 13 -2.554 -6.779 -0.740
99 H CYS 14 HN CYS 14 1.214 -4.126 -0.230
100 HA CYS 14 HA CYS 14 2.808 -3.128 -2.405
101 HB2 CYS 14 HB2 CYS 14 3.270 -2.188 -0.255
102 HB3 CYS 14 HB1 CYS 14 3.440 -3.779 0.476
103 HA PRO 15 HA PRO 15 3.876 -7.271 -3.756
104 HB2 PRO 15 HB2 PRO 15 5.891 -5.830 -5.373
105 HB3 PRO 15 HB1 PRO 15 4.610 -6.928 -5.892
106 HG2 PRO 15 HG2 PRO 15 4.437 -4.298 -6.332
107 HG3 PRO 15 HG1 PRO 15 3.006 -5.259 -5.916
108 HD2 PRO 15 HD2 PRO 15 4.637 -3.441 -4.186
109 HD3 PRO 15 HD1 PRO 15 2.875 -3.655 -4.254
110 H ASN 16 HN ASN 16 5.922 -4.931 -2.314
111 HA ASN 16 HA ASN 16 8.240 -6.677 -2.216
112 HB2 ASN 16 HB2 ASN 16 8.646 -4.338 -2.674
113 HB3 ASN 16 HB1 ASN 16 7.768 -3.857 -1.228
114 HD21 ASN 16 HD21 ASN 16 10.728 -5.195 -2.479
115 HD22 ASN 16 HD22 ASN 16 11.642 -5.034 -1.018
116 H CYS 17 HN CYS 17 5.606 -5.691 -0.131
117 HA CYS 17 HA CYS 17 6.972 -7.059 2.098
118 HB2 CYS 17 HB2 CYS 17 5.008 -4.783 2.368
119 HB3 CYS 17 HB1 CYS 17 5.930 -5.546 3.660
120 H GLY 18 HN GLY 18 4.125 -6.933 0.174
121 HA2 GLY 18 HA2 GLY 18 2.189 -8.195 0.254
122 HA3 GLY 18 HA1 GLY 18 2.856 -9.055 1.636
123 H LYS 19 HN LYS 19 3.043 -5.776 2.079
124 HA LYS 19 HA LYS 19 1.318 -5.761 4.314
125 HB2 LYS 19 HB2 LYS 19 3.350 -4.357 4.097
126 HB3 LYS 19 HB1 LYS 19 2.566 -3.443 2.818
127 HG2 LYS 19 HG2 LYS 19 2.269 -2.083 4.649
128 HG3 LYS 19 HG1 LYS 19 0.749 -2.976 4.600
129 HD2 LYS 19 HD2 LYS 19 1.710 -4.556 6.267
130 HD3 LYS 19 HD1 LYS 19 3.118 -3.505 6.383
131 HE2 LYS 19 HE2 LYS 19 1.584 -3.017 8.190
132 HE3 LYS 19 HE1 LYS 19 1.664 -1.652 7.078
133 HZ1 LYS 19 HZ1 LYS 19 -0.413 -2.408 6.077
134 HZ2 LYS 19 HZ2 LYS 19 -0.605 -2.107 7.726
135 HZ3 LYS 19 HZ3 LYS 19 -0.488 -3.698 7.167
136 H ILE 20 HN ILE 20 -0.733 -5.056 4.559
137 HA ILE 20 HA ILE 20 -2.176 -4.230 2.150
138 HB ILE 20 HB ILE 20 -3.052 -5.562 4.686
139 HG12 ILE 20 HG12 ILE 20 -2.301 -6.846 2.690
140 HG13 ILE 20 HG11 ILE 20 -3.950 -7.205 3.188
141 HG21 ILE 20 HG21 ILE 20 -5.399 -5.275 3.997
142 HG22 ILE 20 HG22 ILE 20 -4.873 -4.170 2.727
143 HG23 ILE 20 HG23 ILE 20 -4.631 -3.745 4.421
144 HD11 ILE 20 HD11 ILE 20 -3.855 -7.080 0.805
145 HD12 ILE 20 HD12 ILE 20 -3.079 -5.499 0.873
146 HD13 ILE 20 HD13 ILE 20 -4.750 -5.685 1.405
147 H PHE 21 HN PHE 21 -3.046 -2.342 1.949
148 HA PHE 21 HA PHE 21 -3.037 -0.511 4.246
149 HB2 PHE 21 HB2 PHE 21 -2.235 -0.003 1.396
150 HB3 PHE 21 HB1 PHE 21 -2.745 1.311 2.454
151 HD1 PHE 21 HD1 PHE 21 -0.150 -1.181 1.786
152 HD2 PHE 21 HD2 PHE 21 -1.387 2.002 4.321
153 HE1 PHE 21 HE1 PHE 21 2.117 -1.040 2.717
154 HE2 PHE 21 HE2 PHE 21 0.879 2.144 5.259
155 HZ PHE 21 HZ PHE 21 2.637 0.622 4.457
156 H ARG 22 HN ARG 22 -4.722 0.981 4.379
157 HA ARG 22 HA ARG 22 -7.095 0.223 2.830
158 HB2 ARG 22 HB2 ARG 22 -7.112 0.043 5.353
159 HB3 ARG 22 HB1 ARG 22 -7.003 1.796 5.404
160 HG2 ARG 22 HG2 ARG 22 -9.097 1.938 4.131
161 HG3 ARG 22 HG1 ARG 22 -9.209 0.177 4.171
162 HD2 ARG 22 HD2 ARG 22 -9.404 0.175 6.553
163 HD3 ARG 22 HD1 ARG 22 -9.048 1.899 6.638
164 HE ARG 22 HE ARG 22 -11.301 1.662 5.061
165 HH11 ARG 22 HH11 ARG 22 -10.386 0.844 8.333
166 HH12 ARG 22 HH12 ARG 22 -11.977 1.091 8.981
167 HH21 ARG 22 HH21 ARG 22 -13.404 1.988 5.896
168 HH22 ARG 22 HH22 ARG 22 -13.704 1.732 7.585
169 H TRP 23 HN TRP 23 -4.773 2.630 3.178
170 HA TRP 23 HA TRP 23 -6.463 4.550 1.719
171 HB2 TRP 23 HB2 TRP 23 -4.238 5.433 3.547
172 HB3 TRP 23 HB1 TRP 23 -5.578 6.380 2.914
173 HD1 TRP 23 HD1 TRP 23 -4.508 4.464 5.908
174 HE1 TRP 23 HE1 TRP 23 -6.442 4.287 7.602
175 HE3 TRP 23 HE3 TRP 23 -8.337 6.099 2.941
176 HZ2 TRP 23 HZ2 TRP 23 -9.223 4.776 7.658
177 HZ3 TRP 23 HZ3 TRP 23 -10.598 6.215 3.899
178 HH2 TRP 23 HH2 TRP 23 -11.032 5.567 6.207
179 H ARG 24 HN ARG 24 -5.576 5.336 -0.115
180 HA ARG 24 HA ARG 24 -3.239 4.051 -1.117
181 HB2 ARG 24 HB2 ARG 24 -4.854 6.310 -2.296
182 HB3 ARG 24 HB1 ARG 24 -3.609 5.406 -3.143
183 HG2 ARG 24 HG2 ARG 24 -4.960 3.344 -2.767
184 HG3 ARG 24 HG1 ARG 24 -6.240 4.374 -2.125
185 HD2 ARG 24 HD2 ARG 24 -5.076 4.453 -4.904
186 HD3 ARG 24 HD1 ARG 24 -6.681 3.884 -4.447
187 HE ARG 24 HE ARG 24 -6.227 6.589 -3.653
188 HH11 ARG 24 HH11 ARG 24 -7.123 4.557 -6.353
189 HH12 ARG 24 HH12 ARG 24 -7.964 5.821 -7.190
190 HH21 ARG 24 HH21 ARG 24 -7.329 8.259 -4.750
191 HH22 ARG 24 HH22 ARG 24 -8.082 7.925 -6.277
192 H VAL 25 HN VAL 25 -3.856 7.132 0.388
193 HA VAL 25 HA VAL 25 -1.694 8.582 -0.645
194 HB VAL 25 HB VAL 25 -1.879 9.975 1.460
195 HG11 VAL 25 HG11 VAL 25 -3.080 10.542 -0.569
196 HG12 VAL 25 HG12 VAL 25 -4.078 10.883 0.844
197 HG13 VAL 25 HG13 VAL 25 -4.385 9.444 -0.130
198 HG21 VAL 25 HG21 VAL 25 -4.134 8.054 2.032
199 HG22 VAL 25 HG22 VAL 25 -3.855 9.574 2.878
200 HG23 VAL 25 HG23 VAL 25 -2.674 8.271 2.995
201 H ASN 26 HN ASN 26 -1.889 6.713 2.382
202 HA ASN 26 HA ASN 26 0.913 7.002 2.905
203 HB2 ASN 26 HB2 ASN 26 0.364 5.039 4.551
204 HB3 ASN 26 HB1 ASN 26 -0.240 6.656 4.879
205 HD21 ASN 26 HD21 ASN 26 -1.114 3.560 3.466
206 HD22 ASN 26 HD22 ASN 26 -2.795 3.675 3.839
207 H PHE 27 HN PHE 27 -1.102 4.661 1.287
208 HA PHE 27 HA PHE 27 0.674 2.515 1.054
209 HB2 PHE 27 HB2 PHE 27 -1.692 2.404 0.368
210 HB3 PHE 27 HB1 PHE 27 -1.341 3.480 -0.982
211 HD1 PHE 27 HD1 PHE 27 -0.237 0.255 0.473
212 HD2 PHE 27 HD2 PHE 27 -0.855 2.555 -3.044
213 HE1 PHE 27 HE1 PHE 27 0.356 -1.696 -0.894
214 HE2 PHE 27 HE2 PHE 27 -0.259 0.609 -4.425
215 HZ PHE 27 HZ PHE 27 0.352 -1.516 -3.339
216 H ILE 28 HN ILE 28 0.183 5.256 -1.180
217 HA ILE 28 HA ILE 28 2.215 4.523 -2.980
218 HB ILE 28 HB ILE 28 1.159 7.293 -2.379
219 HG12 ILE 28 HG12 ILE 28 -0.629 5.784 -3.045
220 HG13 ILE 28 HG11 ILE 28 -0.287 6.911 -4.350
221 HG21 ILE 28 HG21 ILE 28 1.951 7.877 -4.624
222 HG22 ILE 28 HG22 ILE 28 2.657 6.270 -4.790
223 HG23 ILE 28 HG23 ILE 28 3.278 7.384 -3.572
224 HD11 ILE 28 HD11 ILE 28 0.603 4.040 -4.192
225 HD12 ILE 28 HD12 ILE 28 1.013 5.165 -5.487
226 HD13 ILE 28 HD13 ILE 28 -0.667 4.697 -5.226
227 H ARG 29 HN ARG 29 2.246 6.380 -0.014
228 HA ARG 29 HA ARG 29 4.879 7.383 -0.202
229 HB2 ARG 29 HB2 ARG 29 3.011 8.061 1.424
230 HB3 ARG 29 HB1 ARG 29 3.488 6.659 2.369
231 HG2 ARG 29 HG2 ARG 29 5.727 7.549 2.631
232 HG3 ARG 29 HG1 ARG 29 5.305 8.943 1.636
233 HD2 ARG 29 HD2 ARG 29 5.223 9.513 3.998
234 HD3 ARG 29 HD1 ARG 29 3.618 9.602 3.277
235 HE ARG 29 HE ARG 29 3.972 7.047 4.380
236 HH11 ARG 29 HH11 ARG 29 3.638 10.372 5.405
237 HH12 ARG 29 HH12 ARG 29 2.910 9.963 6.927
238 HH21 ARG 29 HH21 ARG 29 3.003 6.501 6.375
239 HH22 ARG 29 HH22 ARG 29 2.536 7.763 7.474
240 H HIS 30 HN HIS 30 3.517 4.428 1.141
241 HA HIS 30 HA HIS 30 5.912 3.386 2.223
242 HB2 HIS 30 HB2 HIS 30 3.801 2.575 3.005
243 HB3 HIS 30 HB1 HIS 30 3.302 2.120 1.384
244 HD1 HIS 30 HD1 HIS 30 6.022 1.059 3.881
245 HD2 HIS 30 HD2 HIS 30 3.552 -0.463 0.907
246 HE1 HIS 30 HE1 HIS 30 6.388 -1.453 3.855
247 H LEU 31 HN LEU 31 4.369 3.077 -0.944
248 HA LEU 31 HA LEU 31 6.306 1.232 -1.965
249 HB2 LEU 31 HB2 LEU 31 4.134 2.896 -3.167
250 HB3 LEU 31 HB1 LEU 31 5.343 2.193 -4.219
251 HG LEU 31 HG LEU 31 3.290 0.831 -4.081
252 HD11 LEU 31 HD11 LEU 31 4.365 -1.308 -3.700
253 HD12 LEU 31 HD12 LEU 31 5.703 -0.509 -2.877
254 HD13 LEU 31 HD13 LEU 31 5.430 -0.226 -4.597
255 HD21 LEU 31 HD21 LEU 31 2.781 -0.413 -2.050
256 HD22 LEU 31 HD22 LEU 31 2.661 1.325 -1.777
257 HD23 LEU 31 HD23 LEU 31 4.070 0.437 -1.197
258 H ARG 32 HN ARG 32 6.060 4.673 -1.709
259 HA ARG 32 HA ARG 32 8.224 5.318 -3.465
260 HB2 ARG 32 HB2 ARG 32 6.372 6.869 -2.773
261 HB3 ARG 32 HB1 ARG 32 7.083 6.923 -1.169
262 HG2 ARG 32 HG2 ARG 32 9.139 7.875 -2.158
263 HG3 ARG 32 HG1 ARG 32 8.325 7.909 -3.726
264 HD2 ARG 32 HD2 ARG 32 7.501 9.372 -1.222
265 HD3 ARG 32 HD1 ARG 32 8.160 10.086 -2.694
266 HE ARG 32 HE ARG 32 6.061 9.125 -3.776
267 HH11 ARG 32 HH11 ARG 32 6.197 10.267 -0.466
268 HH12 ARG 32 HH12 ARG 32 4.500 10.623 -0.385
269 HH21 ARG 32 HH21 ARG 32 3.824 9.611 -3.669
270 HH22 ARG 32 HH22 ARG 32 3.151 10.244 -2.198
271 H SER 33 HN SER 33 7.975 4.019 -0.358
272 HA SER 33 HA SER 33 10.583 4.964 0.534
273 HB2 SER 33 HB2 SER 33 8.584 4.949 2.062
274 HB3 SER 33 HB1 SER 33 8.596 3.191 1.979
275 HG SER 33 HG SER 33 10.782 4.783 2.879
276 H ARG 34 HN ARG 34 10.090 2.955 -1.705
277 HA ARG 34 HA ARG 34 11.259 0.518 -0.654
278 HB2 ARG 34 HB2 ARG 34 10.503 1.393 -3.436
279 HB3 ARG 34 HB1 ARG 34 11.350 -0.114 -3.123
280 HG2 ARG 34 HG2 ARG 34 9.494 -0.874 -1.735
281 HG3 ARG 34 HG1 ARG 34 8.646 0.644 -2.037
282 HD2 ARG 34 HD2 ARG 34 9.465 -1.355 -4.144
283 HD3 ARG 34 HD1 ARG 34 7.841 -1.181 -3.480
284 HE ARG 34 HE ARG 34 8.779 1.290 -4.516
285 HH11 ARG 34 HH11 ARG 34 7.535 -1.819 -5.525
286 HH12 ARG 34 HH12 ARG 34 6.872 -1.219 -7.009
287 HH21 ARG 34 HH21 ARG 34 7.917 2.090 -6.469
288 HH22 ARG 34 HH22 ARG 34 7.095 1.009 -7.549
289 H ARG 35 HN ARG 35 12.282 3.442 -2.178
290 HA ARG 35 HA ARG 35 14.869 2.568 -2.973
291 HB2 ARG 35 HB2 ARG 35 13.684 4.623 -3.812
292 HB3 ARG 35 HB1 ARG 35 14.004 5.376 -2.256
293 HG2 ARG 35 HG2 ARG 35 16.412 5.135 -2.648
294 HG3 ARG 35 HG1 ARG 35 16.070 4.421 -4.226
295 HD2 ARG 35 HD2 ARG 35 14.873 6.508 -4.843
296 HD3 ARG 35 HD1 ARG 35 15.383 7.207 -3.308
297 HE ARG 35 HE ARG 35 17.589 6.210 -4.816
298 HH11 ARG 35 HH11 ARG 35 15.403 8.923 -4.490
299 HH12 ARG 35 HH12 ARG 35 16.499 10.053 -5.222
300 HH21 ARG 35 HH21 ARG 35 19.021 7.690 -5.808
301 HH22 ARG 35 HH22 ARG 35 18.546 9.348 -5.985
302 H GLU 36 HN GLU 36 13.444 3.437 0.018
303 HA GLU 36 HA GLU 36 15.965 4.027 1.333
304 HB2 GLU 36 HB2 GLU 36 13.213 3.776 2.559
305 HB3 GLU 36 HB1 GLU 36 14.629 4.532 3.278
306 HG2 GLU 36 HG2 GLU 36 14.581 6.235 1.492
307 HG3 GLU 36 HG1 GLU 36 13.100 5.504 0.876
308 H GLN 37 HN GLN 37 15.716 1.436 0.206
309 HA GLN 37 HA GLN 37 15.768 -0.226 2.639
310 HB2 GLN 37 HB2 GLN 37 14.820 -1.036 -0.116
311 HB3 GLN 37 HB1 GLN 37 14.965 -2.114 1.262
312 HG2 GLN 37 HG2 GLN 37 13.245 -0.897 2.441
313 HG3 GLN 37 HG1 GLN 37 13.145 0.279 1.132
314 HE21 GLN 37 HE21 GLN 37 13.447 -1.745 -0.941
315 HE22 GLN 37 HE22 GLN 37 11.941 -2.590 -1.014
316 H LYS 38 HN LYS 38 17.096 -2.216 2.333
317 HA LYS 38 HA LYS 38 19.449 -1.625 0.679
318 HB2 LYS 38 HB2 LYS 38 20.602 -3.315 2.164
319 HB3 LYS 38 HB1 LYS 38 20.108 -1.824 2.952
320 HG2 LYS 38 HG2 LYS 38 18.197 -2.930 3.933
321 HG3 LYS 38 HG1 LYS 38 18.581 -4.417 3.066
322 HD2 LYS 38 HD2 LYS 38 20.495 -3.125 4.994
323 HD3 LYS 38 HD1 LYS 38 19.283 -4.298 5.508
324 HE2 LYS 38 HE2 LYS 38 21.355 -4.818 3.379
325 HE3 LYS 38 HE1 LYS 38 21.544 -5.266 5.073
326 HZ1 LYS 38 HZ1 LYS 38 19.654 -6.713 4.903
327 HZ2 LYS 38 HZ2 LYS 38 20.747 -7.106 3.674
328 HZ3 LYS 38 HZ3 LYS 38 19.350 -6.222 3.315
329 HA PRO 39 HA PRO 39 17.992 -4.637 -2.233
330 HB2 PRO 39 HB2 PRO 39 20.926 -4.971 -2.669
331 HB3 PRO 39 HB1 PRO 39 19.631 -4.753 -3.850
332 HG2 PRO 39 HG2 PRO 39 21.226 -2.725 -3.208
333 HG3 PRO 39 HG1 PRO 39 19.493 -2.468 -3.479
334 HD2 PRO 39 HD2 PRO 39 21.022 -2.516 -0.925
335 HD3 PRO 39 HD1 PRO 39 19.580 -1.581 -1.363
336 H HIS 40 HN HIS 40 21.093 -5.655 -0.771
337 HA HIS 40 HA HIS 40 19.776 -7.862 0.550
338 HB2 HIS 40 HB2 HIS 40 20.227 -8.728 -1.752
339 HB3 HIS 40 HB1 HIS 40 21.943 -8.452 -1.475
340 HD1 HIS 40 HD1 HIS 40 19.137 -10.747 -0.573
341 HD2 HIS 40 HD2 HIS 40 23.189 -10.293 0.244
342 HE1 HIS 40 HE1 HIS 40 19.850 -12.885 0.536
343 HE2 HIS 40 HE2 HIS 40 22.332 -12.653 0.869
344 H LYS 41 HN LYS 41 22.889 -6.478 -0.413
345 HA LYS 41 HA LYS 41 24.801 -6.031 0.696
346 HB2 LYS 41 HB2 LYS 41 23.347 -4.884 2.325
347 HB3 LYS 41 HB1 LYS 41 23.149 -6.389 3.204
348 HG2 LYS 41 HG2 LYS 41 25.528 -6.421 3.713
349 HG3 LYS 41 HG1 LYS 41 25.752 -4.932 2.795
350 HD2 LYS 41 HD2 LYS 41 24.246 -3.767 4.344
351 HD3 LYS 41 HD1 LYS 41 24.054 -5.259 5.266
352 HE2 LYS 41 HE2 LYS 41 26.648 -3.789 4.820
353 HE3 LYS 41 HE1 LYS 41 25.686 -3.745 6.296
354 HZ1 LYS 41 HZ1 LYS 41 26.049 -6.100 6.586
355 HZ2 LYS 41 HZ2 LYS 41 27.536 -5.309 6.442
356 HZ3 LYS 41 HZ3 LYS 41 26.917 -6.184 5.137
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 -19.286 -18.483 1.258
2 H2 GLY 1 HT2 GLY 1 -18.072 -19.200 2.188
3 H3 GLY 1 HT3 GLY 1 -17.882 -17.611 1.632
4 HA2 GLY 1 HA1 GLY 1 -19.919 -18.533 3.581
5 HA3 GLY 1 HA2 GLY 1 -18.457 -17.643 3.976
6 H ALA 2 HN ALA 2 -18.209 -15.505 2.843
7 HA ALA 2 HA ALA 2 -20.702 -14.231 2.069
8 HB1 ALA 2 HB1 ALA 2 -20.752 -14.044 4.507
9 HB2 ALA 2 HB2 ALA 2 -20.550 -12.465 3.746
10 HB3 ALA 2 HB3 ALA 2 -19.166 -13.274 4.481
11 H MET 3 HN MET 3 -17.497 -13.196 3.252
12 HA MET 3 HA MET 3 -17.215 -11.588 0.819
13 HB2 MET 3 HB2 MET 3 -16.894 -10.447 2.998
14 HB3 MET 3 HB1 MET 3 -15.560 -11.534 3.352
15 HG2 MET 3 HG2 MET 3 -14.354 -10.670 1.400
16 HG3 MET 3 HG1 MET 3 -15.680 -9.553 1.089
17 HE1 MET 3 HE1 MET 3 -12.867 -9.376 4.738
18 HE2 MET 3 HE2 MET 3 -12.726 -10.533 3.415
19 HE3 MET 3 HE3 MET 3 -14.074 -10.645 4.547
20 H GLU 4 HN GLU 4 -14.721 -13.048 2.848
21 HA GLU 4 HA GLU 4 -12.908 -14.317 2.425
22 HB2 GLU 4 HB2 GLU 4 -14.605 -15.364 0.159
23 HB3 GLU 4 HB1 GLU 4 -13.042 -16.031 0.602
24 HG2 GLU 4 HG2 GLU 4 -14.604 -17.439 1.611
25 HG3 GLU 4 HG1 GLU 4 -14.027 -16.404 2.915
26 H VAL 5 HN VAL 5 -14.071 -13.463 -0.825
27 HA VAL 5 HA VAL 5 -11.381 -12.590 -1.562
28 HB VAL 5 HB VAL 5 -13.886 -12.831 -3.248
29 HG11 VAL 5 HG11 VAL 5 -11.021 -12.339 -4.054
30 HG12 VAL 5 HG12 VAL 5 -12.359 -11.198 -4.180
31 HG13 VAL 5 HG13 VAL 5 -12.351 -12.660 -5.166
32 HG21 VAL 5 HG21 VAL 5 -13.131 -15.000 -2.444
33 HG22 VAL 5 HG22 VAL 5 -11.505 -14.668 -3.034
34 HG23 VAL 5 HG23 VAL 5 -12.837 -14.842 -4.175
35 H GLN 6 HN GLN 6 -10.865 -10.486 -1.961
36 HA GLN 6 HA GLN 6 -12.514 -8.476 -0.817
37 HB2 GLN 6 HB2 GLN 6 -10.049 -8.172 -2.539
38 HB3 GLN 6 HB1 GLN 6 -10.771 -6.916 -1.540
39 HG2 GLN 6 HG2 GLN 6 -9.497 -9.469 -0.582
40 HG3 GLN 6 HG1 GLN 6 -8.845 -7.838 -0.431
41 HE21 GLN 6 HE21 GLN 6 -9.723 -6.435 1.086
42 HE22 GLN 6 HE22 GLN 6 -10.751 -6.986 2.364
43 H THR 7 HN THR 7 -14.314 -7.819 -1.751
44 HA THR 7 HA THR 7 -14.375 -7.562 -4.680
45 HB THR 7 HB THR 7 -16.940 -7.710 -4.238
46 HG1 THR 7 HG1 THR 7 -16.155 -9.326 -2.071
47 HG21 THR 7 HG21 THR 7 -15.140 -10.120 -3.974
48 HG22 THR 7 HG22 THR 7 -15.668 -9.378 -5.484
49 HG23 THR 7 HG23 THR 7 -16.843 -10.159 -4.428
50 H SER 8 HN SER 8 -14.225 -5.531 -5.297
51 HA SER 8 HA SER 8 -14.359 -3.271 -5.378
52 HB2 SER 8 HB2 SER 8 -16.771 -3.872 -5.706
53 HB3 SER 8 HB1 SER 8 -17.018 -3.656 -3.975
54 HG SER 8 HG SER 8 -16.051 -1.462 -4.412
55 H GLN 9 HN GLN 9 -12.817 -4.175 -3.343
56 HA GLN 9 HA GLN 9 -13.382 -2.272 -1.170
57 HB2 GLN 9 HB2 GLN 9 -12.084 -4.999 -1.041
58 HB3 GLN 9 HB1 GLN 9 -12.046 -3.842 0.283
59 HG2 GLN 9 HG2 GLN 9 -14.381 -3.959 0.582
60 HG3 GLN 9 HG1 GLN 9 -14.605 -4.808 -0.945
61 HE21 GLN 9 HE21 GLN 9 -13.608 -5.089 2.371
62 HE22 GLN 9 HE22 GLN 9 -13.624 -6.819 2.430
63 H LYS 10 HN LYS 10 -11.460 -1.329 -0.184
64 HA LYS 10 HA LYS 10 -9.378 -0.983 -2.219
65 HB2 LYS 10 HB2 LYS 10 -10.073 0.798 0.125
66 HB3 LYS 10 HB1 LYS 10 -8.872 1.144 -1.114
67 HG2 LYS 10 HG2 LYS 10 -11.853 0.943 -1.471
68 HG3 LYS 10 HG1 LYS 10 -10.852 2.387 -1.608
69 HD2 LYS 10 HD2 LYS 10 -9.735 1.448 -3.557
70 HD3 LYS 10 HD1 LYS 10 -10.675 -0.035 -3.401
71 HE2 LYS 10 HE2 LYS 10 -12.736 1.288 -3.732
72 HE3 LYS 10 HE1 LYS 10 -11.741 2.719 -3.996
73 HZ1 LYS 10 HZ1 LYS 10 -10.723 1.590 -5.893
74 HZ2 LYS 10 HZ2 LYS 10 -12.396 1.746 -6.089
75 HZ3 LYS 10 HZ3 LYS 10 -11.733 0.254 -5.652
76 H SER 11 HN SER 11 -8.530 -3.054 -1.483
77 HA SER 11 HA SER 11 -6.864 -2.770 0.924
78 HB2 SER 11 HB2 SER 11 -7.435 -5.347 -0.544
79 HB3 SER 11 HB1 SER 11 -6.840 -5.139 1.104
80 HG SER 11 HG SER 11 -9.430 -4.619 0.087
81 H TYR 12 HN TYR 12 -5.155 -1.653 0.046
82 HA TYR 12 HA TYR 12 -3.993 -2.549 -2.462
83 HB2 TYR 12 HB2 TYR 12 -2.980 -0.390 -0.605
84 HB3 TYR 12 HB1 TYR 12 -2.584 -0.606 -2.306
85 HD1 TYR 12 HD1 TYR 12 -4.947 0.752 0.070
86 HD2 TYR 12 HD2 TYR 12 -4.291 -0.109 -4.042
87 HE1 TYR 12 HE1 TYR 12 -6.796 2.244 -0.526
88 HE2 TYR 12 HE2 TYR 12 -6.145 1.388 -4.654
89 HH TYR 12 HH TYR 12 -8.094 2.386 -3.725
90 H VAL 13 HN VAL 13 -2.712 -4.268 -2.394
91 HA VAL 13 HA VAL 13 -0.983 -4.632 -0.044
92 HB VAL 13 HB VAL 13 -1.723 -6.723 -2.090
93 HG11 VAL 13 HG11 VAL 13 0.372 -7.164 -0.947
94 HG12 VAL 13 HG12 VAL 13 -0.869 -8.299 -0.414
95 HG13 VAL 13 HG13 VAL 13 -0.414 -6.943 0.617
96 HG21 VAL 13 HG21 VAL 13 -2.894 -6.281 0.654
97 HG22 VAL 13 HG22 VAL 13 -3.251 -7.635 -0.418
98 HG23 VAL 13 HG23 VAL 13 -3.717 -5.998 -0.882
99 H CYS 14 HN CYS 14 1.005 -3.952 -0.367
100 HA CYS 14 HA CYS 14 2.221 -3.634 -2.911
101 HB2 CYS 14 HB2 CYS 14 2.975 -2.314 -1.021
102 HB3 CYS 14 HB1 CYS 14 3.408 -3.766 -0.132
103 HA PRO 15 HA PRO 15 2.769 -7.917 -3.741
104 HB2 PRO 15 HB2 PRO 15 4.543 -7.695 -5.796
105 HB3 PRO 15 HB1 PRO 15 2.826 -7.314 -5.960
106 HG2 PRO 15 HG2 PRO 15 5.124 -5.451 -5.441
107 HG3 PRO 15 HG1 PRO 15 3.823 -5.295 -6.633
108 HD2 PRO 15 HD2 PRO 15 3.703 -3.967 -4.340
109 HD3 PRO 15 HD1 PRO 15 2.244 -4.725 -5.013
110 H ASN 16 HN ASN 16 5.460 -5.830 -3.102
111 HA ASN 16 HA ASN 16 7.358 -8.015 -3.045
112 HB2 ASN 16 HB2 ASN 16 8.098 -6.041 -4.142
113 HB3 ASN 16 HB1 ASN 16 7.601 -5.024 -2.798
114 HD21 ASN 16 HD21 ASN 16 8.897 -4.768 -1.083
115 HD22 ASN 16 HD22 ASN 16 10.525 -5.357 -1.009
116 H CYS 17 HN CYS 17 5.565 -6.062 -0.782
117 HA CYS 17 HA CYS 17 7.231 -7.127 1.404
118 HB2 CYS 17 HB2 CYS 17 5.448 -4.708 1.598
119 HB3 CYS 17 HB1 CYS 17 6.731 -5.204 2.696
120 H GLY 18 HN GLY 18 4.077 -7.116 0.053
121 HA2 GLY 18 HA2 GLY 18 2.214 -8.335 0.664
122 HA3 GLY 18 HA1 GLY 18 3.119 -8.953 2.040
123 H LYS 19 HN LYS 19 3.091 -5.574 1.711
124 HA LYS 19 HA LYS 19 1.646 -5.301 4.198
125 HB2 LYS 19 HB2 LYS 19 3.795 -4.055 3.434
126 HB3 LYS 19 HB1 LYS 19 2.697 -3.038 2.516
127 HG2 LYS 19 HG2 LYS 19 3.118 -1.906 4.535
128 HG3 LYS 19 HG1 LYS 19 1.494 -2.580 4.683
129 HD2 LYS 19 HD2 LYS 19 2.384 -4.442 5.986
130 HD3 LYS 19 HD1 LYS 19 4.013 -3.794 5.817
131 HE2 LYS 19 HE2 LYS 19 1.728 -2.335 7.134
132 HE3 LYS 19 HE1 LYS 19 2.934 -3.280 8.005
133 HZ1 LYS 19 HZ1 LYS 19 4.647 -1.803 7.118
134 HZ2 LYS 19 HZ2 LYS 19 3.506 -0.951 8.024
135 HZ3 LYS 19 HZ3 LYS 19 3.468 -0.880 6.337
136 H ILE 20 HN ILE 20 -0.473 -4.825 4.345
137 HA ILE 20 HA ILE 20 -1.864 -3.985 1.900
138 HB ILE 20 HB ILE 20 -2.590 -6.113 2.968
139 HG12 ILE 20 HG12 ILE 20 -4.137 -4.507 1.645
140 HG13 ILE 20 HG11 ILE 20 -4.867 -5.820 2.558
141 HG21 ILE 20 HG21 ILE 20 -3.494 -4.347 5.232
142 HG22 ILE 20 HG22 ILE 20 -2.208 -5.553 5.288
143 HG23 ILE 20 HG23 ILE 20 -3.878 -6.057 5.044
144 HD11 ILE 20 HD11 ILE 20 -5.432 -4.252 4.346
145 HD12 ILE 20 HD12 ILE 20 -6.133 -3.770 2.800
146 HD13 ILE 20 HD13 ILE 20 -4.704 -2.939 3.418
147 H PHE 21 HN PHE 21 -2.789 -2.051 1.748
148 HA PHE 21 HA PHE 21 -2.999 -0.409 4.173
149 HB2 PHE 21 HB2 PHE 21 -2.278 0.423 1.359
150 HB3 PHE 21 HB1 PHE 21 -2.645 1.554 2.657
151 HD1 PHE 21 HD1 PHE 21 -0.248 -0.924 1.419
152 HD2 PHE 21 HD2 PHE 21 -1.080 1.974 4.415
153 HE1 PHE 21 HE1 PHE 21 2.104 -0.981 2.120
154 HE2 PHE 21 HE2 PHE 21 1.270 1.915 5.133
155 HZ PHE 21 HZ PHE 21 2.865 0.435 3.982
156 H ARG 22 HN ARG 22 -4.793 0.944 4.327
157 HA ARG 22 HA ARG 22 -7.059 0.076 2.695
158 HB2 ARG 22 HB2 ARG 22 -7.101 0.012 5.234
159 HB3 ARG 22 HB1 ARG 22 -7.114 1.771 5.192
160 HG2 ARG 22 HG2 ARG 22 -9.179 1.639 3.807
161 HG3 ARG 22 HG1 ARG 22 -9.189 -0.102 4.106
162 HD2 ARG 22 HD2 ARG 22 -9.341 0.286 6.499
163 HD3 ARG 22 HD1 ARG 22 -9.234 2.027 6.247
164 HE ARG 22 HE ARG 22 -11.421 0.916 4.814
165 HH11 ARG 22 HH11 ARG 22 -10.397 1.901 8.008
166 HH12 ARG 22 HH12 ARG 22 -12.008 2.185 8.581
167 HH21 ARG 22 HH21 ARG 22 -13.552 1.280 5.555
168 HH22 ARG 22 HH22 ARG 22 -13.812 1.827 7.179
169 H TRP 23 HN TRP 23 -4.836 2.540 2.831
170 HA TRP 23 HA TRP 23 -6.639 4.418 1.458
171 HB2 TRP 23 HB2 TRP 23 -4.423 5.308 3.307
172 HB3 TRP 23 HB1 TRP 23 -5.714 6.284 2.619
173 HD1 TRP 23 HD1 TRP 23 -4.851 4.196 5.606
174 HE1 TRP 23 HE1 TRP 23 -6.846 4.128 7.235
175 HE3 TRP 23 HE3 TRP 23 -8.424 6.290 2.607
176 HZ2 TRP 23 HZ2 TRP 23 -9.569 4.871 7.240
177 HZ3 TRP 23 HZ3 TRP 23 -10.694 6.579 3.512
178 HH2 TRP 23 HH2 TRP 23 -11.251 5.885 5.775
179 H ARG 24 HN ARG 24 -5.654 5.701 -0.141
180 HA ARG 24 HA ARG 24 -3.547 4.381 -1.535
181 HB2 ARG 24 HB2 ARG 24 -4.923 7.019 -2.050
182 HB3 ARG 24 HB1 ARG 24 -3.736 6.301 -3.130
183 HG2 ARG 24 HG2 ARG 24 -5.215 4.334 -3.379
184 HG3 ARG 24 HG1 ARG 24 -6.421 5.160 -2.388
185 HD2 ARG 24 HD2 ARG 24 -5.295 6.187 -4.991
186 HD3 ARG 24 HD1 ARG 24 -6.859 5.399 -4.800
187 HE ARG 24 HE ARG 24 -7.475 7.299 -3.337
188 HH11 ARG 24 HH11 ARG 24 -4.869 7.701 -5.649
189 HH12 ARG 24 HH12 ARG 24 -5.060 9.420 -5.755
190 HH21 ARG 24 HH21 ARG 24 -7.724 9.553 -3.471
191 HH22 ARG 24 HH22 ARG 24 -6.680 10.478 -4.504
192 H VAL 25 HN VAL 25 -3.732 7.279 0.451
193 HA VAL 25 HA VAL 25 -1.369 8.480 -0.469
194 HB VAL 25 HB VAL 25 -1.453 9.800 1.674
195 HG11 VAL 25 HG11 VAL 25 -3.534 10.967 1.048
196 HG12 VAL 25 HG12 VAL 25 -3.952 9.613 -0.002
197 HG13 VAL 25 HG13 VAL 25 -2.525 10.588 -0.346
198 HG21 VAL 25 HG21 VAL 25 -3.960 8.181 2.131
199 HG22 VAL 25 HG22 VAL 25 -3.454 9.587 3.065
200 HG23 VAL 25 HG23 VAL 25 -2.494 8.110 3.106
201 H ASN 26 HN ASN 26 -1.885 6.494 2.454
202 HA ASN 26 HA ASN 26 0.870 6.521 3.174
203 HB2 ASN 26 HB2 ASN 26 0.038 4.378 4.514
204 HB3 ASN 26 HB1 ASN 26 -0.371 6.010 5.030
205 HD21 ASN 26 HD21 ASN 26 -1.551 3.255 3.190
206 HD22 ASN 26 HD22 ASN 26 -3.225 3.565 3.480
207 H PHE 27 HN PHE 27 -1.101 4.478 1.161
208 HA PHE 27 HA PHE 27 0.688 2.330 0.806
209 HB2 PHE 27 HB2 PHE 27 -1.659 2.268 0.053
210 HB3 PHE 27 HB1 PHE 27 -1.290 3.477 -1.174
211 HD1 PHE 27 HD1 PHE 27 0.078 0.223 -0.008
212 HD2 PHE 27 HD2 PHE 27 -0.990 2.674 -3.306
213 HE1 PHE 27 HE1 PHE 27 0.727 -1.581 -1.540
214 HE2 PHE 27 HE2 PHE 27 -0.341 0.875 -4.855
215 HZ PHE 27 HZ PHE 27 0.525 -1.249 -3.962
216 H ILE 28 HN ILE 28 0.218 5.299 -1.095
217 HA ILE 28 HA ILE 28 2.343 4.834 -2.886
218 HB ILE 28 HB ILE 28 1.129 7.463 -2.018
219 HG12 ILE 28 HG12 ILE 28 -0.539 6.017 -2.996
220 HG13 ILE 28 HG11 ILE 28 -0.124 7.264 -4.165
221 HG21 ILE 28 HG21 ILE 28 2.036 8.369 -4.112
222 HG22 ILE 28 HG22 ILE 28 2.856 6.836 -4.408
223 HG23 ILE 28 HG23 ILE 28 3.310 7.824 -3.021
224 HD11 ILE 28 HD11 ILE 28 -0.359 5.132 -5.262
225 HD12 ILE 28 HD12 ILE 28 0.832 4.409 -4.183
226 HD13 ILE 28 HD13 ILE 28 1.323 5.654 -5.331
227 H ARG 29 HN ARG 29 2.187 6.389 0.267
228 HA ARG 29 HA ARG 29 4.786 7.416 0.391
229 HB2 ARG 29 HB2 ARG 29 2.960 7.822 2.064
230 HB3 ARG 29 HB1 ARG 29 3.214 6.192 2.666
231 HG2 ARG 29 HG2 ARG 29 5.506 6.757 3.284
232 HG3 ARG 29 HG1 ARG 29 5.266 8.395 2.677
233 HD2 ARG 29 HD2 ARG 29 3.638 7.149 4.884
234 HD3 ARG 29 HD1 ARG 29 5.048 8.171 5.150
235 HE ARG 29 HE ARG 29 3.260 9.554 3.499
236 HH11 ARG 29 HH11 ARG 29 3.454 8.373 6.786
237 HH12 ARG 29 HH12 ARG 29 2.434 9.620 7.431
238 HH21 ARG 29 HH21 ARG 29 1.949 11.218 4.346
239 HH22 ARG 29 HH22 ARG 29 1.588 11.248 6.043
240 H HIS 30 HN HIS 30 3.513 4.226 1.222
241 HA HIS 30 HA HIS 30 5.950 3.091 2.092
242 HB2 HIS 30 HB2 HIS 30 3.896 2.065 2.742
243 HB3 HIS 30 HB1 HIS 30 3.373 1.901 1.074
244 HD1 HIS 30 HD1 HIS 30 6.349 0.565 3.112
245 HD2 HIS 30 HD2 HIS 30 3.545 -0.607 0.279
246 HE1 HIS 30 HE1 HIS 30 6.765 -1.895 2.666
247 H LEU 31 HN LEU 31 4.355 3.202 -1.059
248 HA LEU 31 HA LEU 31 6.240 1.545 -2.379
249 HB2 LEU 31 HB2 LEU 31 4.066 3.384 -3.221
250 HB3 LEU 31 HB1 LEU 31 5.277 2.971 -4.419
251 HG LEU 31 HG LEU 31 3.219 1.544 -4.478
252 HD11 LEU 31 HD11 LEU 31 5.322 0.781 -5.444
253 HD12 LEU 31 HD12 LEU 31 4.424 -0.561 -4.734
254 HD13 LEU 31 HD13 LEU 31 5.807 0.122 -3.882
255 HD21 LEU 31 HD21 LEU 31 2.799 1.395 -2.079
256 HD22 LEU 31 HD22 LEU 31 4.302 0.497 -1.864
257 HD23 LEU 31 HD23 LEU 31 2.977 -0.210 -2.788
258 H ARG 32 HN ARG 32 6.050 5.023 -1.822
259 HA ARG 32 HA ARG 32 8.371 5.627 -3.377
260 HB2 ARG 32 HB2 ARG 32 6.945 7.159 -1.200
261 HB3 ARG 32 HB1 ARG 32 8.323 7.795 -2.086
262 HG2 ARG 32 HG2 ARG 32 7.059 7.572 -4.182
263 HG3 ARG 32 HG1 ARG 32 5.669 6.992 -3.261
264 HD2 ARG 32 HD2 ARG 32 5.440 9.357 -3.776
265 HD3 ARG 32 HD1 ARG 32 5.598 9.105 -2.037
266 HE ARG 32 HE ARG 32 8.132 9.598 -3.189
267 HH11 ARG 32 HH11 ARG 32 5.160 11.227 -2.336
268 HH12 ARG 32 HH12 ARG 32 5.921 12.767 -2.098
269 HH21 ARG 32 HH21 ARG 32 9.142 11.624 -2.877
270 HH22 ARG 32 HH22 ARG 32 8.193 12.991 -2.395
271 H SER 33 HN SER 33 7.888 4.153 -0.384
272 HA SER 33 HA SER 33 10.587 4.773 0.554
273 HB2 SER 33 HB2 SER 33 8.404 3.164 1.910
274 HB3 SER 33 HB1 SER 33 9.925 3.682 2.636
275 HG SER 33 HG SER 33 7.823 5.359 1.701
276 H ARG 34 HN ARG 34 10.039 3.137 -1.829
277 HA ARG 34 HA ARG 34 10.581 0.415 -1.227
278 HB2 ARG 34 HB2 ARG 34 10.611 2.093 -3.682
279 HB3 ARG 34 HB1 ARG 34 11.528 0.595 -3.721
280 HG2 ARG 34 HG2 ARG 34 9.561 -0.690 -3.244
281 HG3 ARG 34 HG1 ARG 34 8.612 0.778 -2.993
282 HD2 ARG 34 HD2 ARG 34 9.959 0.048 -5.591
283 HD3 ARG 34 HD1 ARG 34 8.269 -0.293 -5.219
284 HE ARG 34 HE ARG 34 8.430 2.352 -4.764
285 HH11 ARG 34 HH11 ARG 34 9.461 0.400 -7.492
286 HH12 ARG 34 HH12 ARG 34 9.192 1.661 -8.649
287 HH21 ARG 34 HH21 ARG 34 8.050 3.988 -6.286
288 HH22 ARG 34 HH22 ARG 34 8.375 3.698 -7.965
289 H ARG 35 HN ARG 35 12.273 0.235 0.159
290 HA ARG 35 HA ARG 35 14.871 1.288 -0.698
291 HB2 ARG 35 HB2 ARG 35 14.146 -0.016 1.931
292 HB3 ARG 35 HB1 ARG 35 15.629 0.844 1.557
293 HG2 ARG 35 HG2 ARG 35 12.895 2.103 1.651
294 HG3 ARG 35 HG1 ARG 35 14.063 2.127 2.970
295 HD2 ARG 35 HD2 ARG 35 14.309 4.199 1.899
296 HD3 ARG 35 HD1 ARG 35 15.662 3.228 1.329
297 HE ARG 35 HE ARG 35 14.294 2.851 -0.726
298 HH11 ARG 35 HH11 ARG 35 13.704 5.668 1.276
299 HH12 ARG 35 HH12 ARG 35 13.096 6.621 -0.038
300 HH21 ARG 35 HH21 ARG 35 13.486 4.098 -2.446
301 HH22 ARG 35 HH22 ARG 35 12.978 5.733 -2.159
302 H GLU 36 HN GLU 36 14.412 -0.520 -2.418
303 HA GLU 36 HA GLU 36 15.003 -3.183 -1.479
304 HB2 GLU 36 HB2 GLU 36 14.588 -2.073 -4.251
305 HB3 GLU 36 HB1 GLU 36 14.937 -3.764 -3.922
306 HG2 GLU 36 HG2 GLU 36 12.533 -2.204 -3.010
307 HG3 GLU 36 HG1 GLU 36 12.576 -3.483 -4.223
308 H GLN 37 HN GLN 37 17.012 -2.197 -0.523
309 HA GLN 37 HA GLN 37 19.255 -1.649 -2.175
310 HB2 GLN 37 HB2 GLN 37 19.122 -0.896 0.152
311 HB3 GLN 37 HB1 GLN 37 19.098 -2.562 0.706
312 HG2 GLN 37 HG2 GLN 37 21.355 -2.845 -0.335
313 HG3 GLN 37 HG1 GLN 37 21.367 -1.106 -0.620
314 HE21 GLN 37 HE21 GLN 37 19.938 -0.533 1.862
315 HE22 GLN 37 HE22 GLN 37 21.093 -0.747 3.132
316 H LYS 38 HN LYS 38 18.585 -4.429 -0.072
317 HA LYS 38 HA LYS 38 20.411 -6.067 -1.654
318 HB2 LYS 38 HB2 LYS 38 18.931 -6.677 0.916
319 HB3 LYS 38 HB1 LYS 38 20.104 -7.734 0.148
320 HG2 LYS 38 HG2 LYS 38 20.687 -4.983 1.225
321 HG3 LYS 38 HG1 LYS 38 21.044 -6.502 2.047
322 HD2 LYS 38 HD2 LYS 38 22.517 -7.141 0.179
323 HD3 LYS 38 HD1 LYS 38 22.185 -5.590 -0.596
324 HE2 LYS 38 HE2 LYS 38 23.151 -4.422 1.320
325 HE3 LYS 38 HE1 LYS 38 23.466 -5.966 2.109
326 HZ1 LYS 38 HZ1 LYS 38 24.672 -5.020 -0.435
327 HZ2 LYS 38 HZ2 LYS 38 24.938 -6.539 0.257
328 HZ3 LYS 38 HZ3 LYS 38 25.453 -5.147 1.058
329 HA PRO 39 HA PRO 39 17.060 -8.009 -3.804
330 HB2 PRO 39 HB2 PRO 39 18.280 -10.211 -4.725
331 HB3 PRO 39 HB1 PRO 39 18.729 -8.599 -5.293
332 HG2 PRO 39 HG2 PRO 39 20.076 -10.331 -3.257
333 HG3 PRO 39 HG1 PRO 39 20.799 -9.370 -4.559
334 HD2 PRO 39 HD2 PRO 39 20.669 -8.545 -1.952
335 HD3 PRO 39 HD1 PRO 39 20.727 -7.436 -3.335
336 H HIS 40 HN HIS 40 17.016 -8.448 -0.967
337 HA HIS 40 HA HIS 40 15.904 -9.693 0.557
338 HB2 HIS 40 HB2 HIS 40 14.230 -10.087 -1.195
339 HB3 HIS 40 HB1 HIS 40 15.153 -11.467 -1.775
340 HD1 HIS 40 HD1 HIS 40 12.699 -10.440 0.808
341 HD2 HIS 40 HD2 HIS 40 15.066 -13.750 -0.060
342 HE1 HIS 40 HE1 HIS 40 11.785 -12.317 2.207
343 HE2 HIS 40 HE2 HIS 40 13.319 -14.267 1.772
344 H LYS 41 HN LYS 41 17.362 -12.044 -1.719
345 HA LYS 41 HA LYS 41 18.353 -13.528 0.610
346 HB2 LYS 41 HB2 LYS 41 17.044 -14.731 -1.154
347 HB3 LYS 41 HB1 LYS 41 18.325 -14.365 -2.298
348 HG2 LYS 41 HG2 LYS 41 18.552 -16.627 -1.496
349 HG3 LYS 41 HG1 LYS 41 19.903 -15.649 -0.918
350 HD2 LYS 41 HD2 LYS 41 18.874 -15.446 1.262
351 HD3 LYS 41 HD1 LYS 41 17.435 -16.295 0.696
352 HE2 LYS 41 HE2 LYS 41 18.864 -17.777 1.999
353 HE3 LYS 41 HE1 LYS 41 18.766 -18.310 0.322
354 HZ1 LYS 41 HZ1 LYS 41 20.920 -17.350 -0.097
355 HZ2 LYS 41 HZ2 LYS 41 21.027 -18.414 1.213
356 HZ3 LYS 41 HZ3 LYS 41 21.010 -16.745 1.480
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 -5.948 -7.018 9.657
2 H2 GLY 1 HT2 GLY 1 -5.148 -8.232 10.526
3 H3 GLY 1 HT3 GLY 1 -4.576 -7.766 9.006
4 HA2 GLY 1 HA1 GLY 1 -3.221 -6.852 10.807
5 HA3 GLY 1 HA2 GLY 1 -3.964 -5.611 9.808
6 H ALA 2 HN ALA 2 -3.937 -4.043 11.406
7 HA ALA 2 HA ALA 2 -5.520 -4.573 13.823
8 HB1 ALA 2 HB1 ALA 2 -3.296 -3.618 14.164
9 HB2 ALA 2 HB2 ALA 2 -4.555 -2.502 14.692
10 HB3 ALA 2 HB3 ALA 2 -3.728 -2.236 13.157
11 H MET 3 HN MET 3 -5.704 -3.120 10.771
12 HA MET 3 HA MET 3 -7.921 -1.364 11.560
13 HB2 MET 3 HB2 MET 3 -6.391 -1.553 8.955
14 HB3 MET 3 HB1 MET 3 -7.696 -0.421 9.277
15 HG2 MET 3 HG2 MET 3 -6.385 0.636 11.017
16 HG3 MET 3 HG1 MET 3 -5.091 -0.534 10.780
17 HE1 MET 3 HE1 MET 3 -4.695 2.652 10.758
18 HE2 MET 3 HE2 MET 3 -3.560 2.806 9.417
19 HE3 MET 3 HE3 MET 3 -3.386 1.485 10.574
20 H GLU 4 HN GLU 4 -9.001 -3.534 11.947
21 HA GLU 4 HA GLU 4 -9.678 -5.081 9.597
22 HB2 GLU 4 HB2 GLU 4 -10.476 -5.399 12.492
23 HB3 GLU 4 HB1 GLU 4 -10.850 -6.547 11.213
24 HG2 GLU 4 HG2 GLU 4 -8.095 -5.771 12.143
25 HG3 GLU 4 HG1 GLU 4 -8.938 -7.271 12.525
26 H VAL 5 HN VAL 5 -10.661 -2.396 9.645
27 HA VAL 5 HA VAL 5 -13.465 -2.417 10.203
28 HB VAL 5 HB VAL 5 -11.893 -0.554 8.407
29 HG11 VAL 5 HG11 VAL 5 -14.328 -0.528 8.026
30 HG12 VAL 5 HG12 VAL 5 -13.729 0.992 8.685
31 HG13 VAL 5 HG13 VAL 5 -14.572 -0.150 9.731
32 HG21 VAL 5 HG21 VAL 5 -11.836 0.961 10.333
33 HG22 VAL 5 HG22 VAL 5 -10.998 -0.554 10.673
34 HG23 VAL 5 HG23 VAL 5 -12.613 -0.273 11.324
35 H GLN 6 HN GLN 6 -15.128 -2.930 8.859
36 HA GLN 6 HA GLN 6 -14.550 -4.506 6.552
37 HB2 GLN 6 HB2 GLN 6 -16.473 -4.956 8.044
38 HB3 GLN 6 HB1 GLN 6 -17.209 -3.447 7.525
39 HG2 GLN 6 HG2 GLN 6 -18.240 -5.250 6.347
40 HG3 GLN 6 HG1 GLN 6 -17.268 -4.317 5.212
41 HE21 GLN 6 HE21 GLN 6 -18.211 -7.065 5.050
42 HE22 GLN 6 HE22 GLN 6 -16.803 -8.048 4.863
43 H THR 7 HN THR 7 -13.801 -3.552 4.802
44 HA THR 7 HA THR 7 -15.432 -1.713 3.349
45 HB THR 7 HB THR 7 -14.373 -0.066 4.773
46 HG1 THR 7 HG1 THR 7 -14.395 0.970 2.926
47 HG21 THR 7 HG21 THR 7 -12.415 -1.353 5.481
48 HG22 THR 7 HG22 THR 7 -11.946 0.230 4.862
49 HG23 THR 7 HG23 THR 7 -11.728 -1.206 3.862
50 H SER 8 HN SER 8 -15.044 -1.892 1.202
51 HA SER 8 HA SER 8 -13.212 -3.978 0.401
52 HB2 SER 8 HB2 SER 8 -15.565 -3.775 -0.471
53 HB3 SER 8 HB1 SER 8 -15.064 -2.321 -1.332
54 HG SER 8 HG SER 8 -14.208 -4.988 -1.723
55 H GLN 9 HN GLN 9 -12.938 -0.714 0.870
56 HA GLN 9 HA GLN 9 -11.484 0.108 -1.416
57 HB2 GLN 9 HB2 GLN 9 -12.579 1.623 0.275
58 HB3 GLN 9 HB1 GLN 9 -11.256 1.248 1.370
59 HG2 GLN 9 HG2 GLN 9 -9.670 2.152 -0.284
60 HG3 GLN 9 HG1 GLN 9 -11.032 2.593 -1.312
61 HE21 GLN 9 HE21 GLN 9 -9.210 3.353 1.519
62 HE22 GLN 9 HE22 GLN 9 -9.974 4.876 1.845
63 H LYS 10 HN LYS 10 -10.570 -1.483 1.566
64 HA LYS 10 HA LYS 10 -7.763 -0.983 1.247
65 HB2 LYS 10 HB2 LYS 10 -7.506 -2.540 3.160
66 HB3 LYS 10 HB1 LYS 10 -8.639 -1.238 3.477
67 HG2 LYS 10 HG2 LYS 10 -10.505 -2.764 3.059
68 HG3 LYS 10 HG1 LYS 10 -9.360 -4.069 2.751
69 HD2 LYS 10 HD2 LYS 10 -8.482 -3.769 5.054
70 HD3 LYS 10 HD1 LYS 10 -9.753 -2.576 5.342
71 HE2 LYS 10 HE2 LYS 10 -11.440 -4.299 4.817
72 HE3 LYS 10 HE1 LYS 10 -10.146 -5.480 4.630
73 HZ1 LYS 10 HZ1 LYS 10 -9.523 -5.009 6.962
74 HZ2 LYS 10 HZ2 LYS 10 -11.059 -5.689 6.799
75 HZ3 LYS 10 HZ3 LYS 10 -10.901 -4.035 7.107
76 H SER 11 HN SER 11 -7.595 -1.746 -0.945
77 HA SER 11 HA SER 11 -7.158 -4.646 -1.031
78 HB2 SER 11 HB2 SER 11 -9.238 -3.962 -2.252
79 HB3 SER 11 HB1 SER 11 -8.227 -3.011 -3.336
80 HG SER 11 HG SER 11 -7.067 -5.234 -3.465
81 H TYR 12 HN TYR 12 -5.393 -2.287 -0.587
82 HA TYR 12 HA TYR 12 -3.682 -2.510 -2.972
83 HB2 TYR 12 HB2 TYR 12 -3.228 -0.560 -0.730
84 HB3 TYR 12 HB1 TYR 12 -2.752 -0.431 -2.421
85 HD1 TYR 12 HD1 TYR 12 -4.971 0.754 -0.027
86 HD2 TYR 12 HD2 TYR 12 -4.843 -0.458 -4.099
87 HE1 TYR 12 HE1 TYR 12 -7.007 2.048 -0.469
88 HE2 TYR 12 HE2 TYR 12 -6.877 0.839 -4.556
89 HH TYR 12 HH TYR 12 -8.861 1.689 -3.224
90 H VAL 13 HN VAL 13 -2.328 -4.159 -2.751
91 HA VAL 13 HA VAL 13 -0.940 -4.510 -0.179
92 HB VAL 13 HB VAL 13 -1.328 -6.552 -2.372
93 HG11 VAL 13 HG11 VAL 13 -0.125 -6.828 0.379
94 HG12 VAL 13 HG12 VAL 13 0.746 -6.892 -1.152
95 HG13 VAL 13 HG13 VAL 13 -0.419 -8.150 -0.748
96 HG21 VAL 13 HG21 VAL 13 -3.423 -6.067 -1.224
97 HG22 VAL 13 HG22 VAL 13 -2.646 -6.351 0.334
98 HG23 VAL 13 HG23 VAL 13 -2.840 -7.678 -0.810
99 H CYS 14 HN CYS 14 1.139 -3.896 -0.168
100 HA CYS 14 HA CYS 14 2.608 -3.288 -2.532
101 HB2 CYS 14 HB2 CYS 14 3.219 -2.215 -0.454
102 HB3 CYS 14 HB1 CYS 14 3.488 -3.765 0.325
103 HA PRO 15 HA PRO 15 3.238 -7.586 -3.558
104 HB2 PRO 15 HB2 PRO 15 5.118 -6.531 -5.569
105 HB3 PRO 15 HB1 PRO 15 3.659 -7.499 -5.794
106 HG2 PRO 15 HG2 PRO 15 3.739 -4.904 -6.465
107 HG3 PRO 15 HG1 PRO 15 2.273 -5.652 -5.805
108 HD2 PRO 15 HD2 PRO 15 4.291 -3.908 -4.446
109 HD3 PRO 15 HD1 PRO 15 2.522 -3.923 -4.292
110 H ASN 16 HN ASN 16 5.667 -5.324 -2.667
111 HA ASN 16 HA ASN 16 7.774 -7.323 -2.665
112 HB2 ASN 16 HB2 ASN 16 8.351 -5.131 -3.475
113 HB3 ASN 16 HB1 ASN 16 7.781 -4.382 -1.992
114 HD21 ASN 16 HD21 ASN 16 10.261 -6.380 -3.422
115 HD22 ASN 16 HD22 ASN 16 11.445 -6.126 -2.188
116 H CYS 17 HN CYS 17 5.612 -5.807 -0.370
117 HA CYS 17 HA CYS 17 7.154 -7.075 1.806
118 HB2 CYS 17 HB2 CYS 17 5.222 -4.771 2.081
119 HB3 CYS 17 HB1 CYS 17 6.252 -5.440 3.341
120 H GLY 18 HN GLY 18 4.149 -7.064 0.158
121 HA2 GLY 18 HA2 GLY 18 2.270 -8.376 0.467
122 HA3 GLY 18 HA1 GLY 18 3.050 -9.098 1.869
123 H LYS 19 HN LYS 19 3.111 -5.751 1.971
124 HA LYS 19 HA LYS 19 1.387 -5.693 4.268
125 HB2 LYS 19 HB2 LYS 19 3.586 -4.391 3.874
126 HB3 LYS 19 HB1 LYS 19 2.610 -3.301 2.905
127 HG2 LYS 19 HG2 LYS 19 2.695 -2.272 4.982
128 HG3 LYS 19 HG1 LYS 19 1.131 -3.091 4.994
129 HD2 LYS 19 HD2 LYS 19 2.075 -4.922 6.274
130 HD3 LYS 19 HD1 LYS 19 3.670 -4.179 6.204
131 HE2 LYS 19 HE2 LYS 19 2.680 -3.737 8.357
132 HE3 LYS 19 HE1 LYS 19 2.793 -2.236 7.442
133 HZ1 LYS 19 HZ1 LYS 19 0.438 -2.477 6.875
134 HZ2 LYS 19 HZ2 LYS 19 0.671 -2.394 8.544
135 HZ3 LYS 19 HZ3 LYS 19 0.348 -3.881 7.812
136 H ILE 20 HN ILE 20 -0.709 -5.066 4.318
137 HA ILE 20 HA ILE 20 -1.871 -4.093 1.794
138 HB ILE 20 HB ILE 20 -2.700 -6.275 2.638
139 HG12 ILE 20 HG12 ILE 20 -4.129 -4.565 1.318
140 HG13 ILE 20 HG11 ILE 20 -4.933 -5.936 2.068
141 HG21 ILE 20 HG21 ILE 20 -4.192 -6.325 4.600
142 HG22 ILE 20 HG22 ILE 20 -3.719 -4.667 4.967
143 HG23 ILE 20 HG23 ILE 20 -2.515 -5.956 5.003
144 HD11 ILE 20 HD11 ILE 20 -6.210 -3.904 2.358
145 HD12 ILE 20 HD12 ILE 20 -4.837 -3.127 3.147
146 HD13 ILE 20 HD13 ILE 20 -5.639 -4.499 3.914
147 H PHE 21 HN PHE 21 -2.945 -2.179 1.713
148 HA PHE 21 HA PHE 21 -2.976 -0.593 4.179
149 HB2 PHE 21 HB2 PHE 21 -2.170 0.199 1.386
150 HB3 PHE 21 HB1 PHE 21 -2.601 1.387 2.611
151 HD1 PHE 21 HD1 PHE 21 -0.193 -1.254 1.717
152 HD2 PHE 21 HD2 PHE 21 -1.111 1.955 4.351
153 HE1 PHE 21 HE1 PHE 21 2.101 -1.319 2.591
154 HE2 PHE 21 HE2 PHE 21 1.180 1.892 5.233
155 HZ PHE 21 HZ PHE 21 2.791 0.254 4.355
156 H ARG 22 HN ARG 22 -4.616 0.914 4.398
157 HA ARG 22 HA ARG 22 -7.054 0.179 2.975
158 HB2 ARG 22 HB2 ARG 22 -6.965 0.148 5.470
159 HB3 ARG 22 HB1 ARG 22 -6.694 1.887 5.441
160 HG2 ARG 22 HG2 ARG 22 -8.849 2.121 4.230
161 HG3 ARG 22 HG1 ARG 22 -9.116 0.398 4.501
162 HD2 ARG 22 HD2 ARG 22 -9.090 0.704 6.882
163 HD3 ARG 22 HD1 ARG 22 -8.606 2.388 6.708
164 HE ARG 22 HE ARG 22 -11.067 1.932 5.386
165 HH11 ARG 22 HH11 ARG 22 -9.677 2.304 8.574
166 HH12 ARG 22 HH12 ARG 22 -11.143 2.888 9.291
167 HH21 ARG 22 HH21 ARG 22 -13.013 2.714 6.332
168 HH22 ARG 22 HH22 ARG 22 -13.038 3.112 8.021
169 H TRP 23 HN TRP 23 -4.784 2.743 3.336
170 HA TRP 23 HA TRP 23 -6.528 4.572 1.813
171 HB2 TRP 23 HB2 TRP 23 -4.246 5.355 3.637
172 HB3 TRP 23 HB1 TRP 23 -5.434 6.420 2.901
173 HD1 TRP 23 HD1 TRP 23 -4.743 4.590 6.026
174 HE1 TRP 23 HE1 TRP 23 -6.795 4.630 7.585
175 HE3 TRP 23 HE3 TRP 23 -8.244 6.286 2.710
176 HZ2 TRP 23 HZ2 TRP 23 -9.533 5.297 7.417
177 HZ3 TRP 23 HZ3 TRP 23 -10.554 6.594 3.498
178 HH2 TRP 23 HH2 TRP 23 -11.184 6.110 5.799
179 H ARG 24 HN ARG 24 -5.658 5.603 0.026
180 HA ARG 24 HA ARG 24 -3.515 4.211 -1.246
181 HB2 ARG 24 HB2 ARG 24 -5.112 6.621 -2.097
182 HB3 ARG 24 HB1 ARG 24 -3.866 5.885 -3.092
183 HG2 ARG 24 HG2 ARG 24 -5.163 3.731 -2.913
184 HG3 ARG 24 HG1 ARG 24 -6.467 4.682 -2.202
185 HD2 ARG 24 HD2 ARG 24 -5.247 5.044 -4.932
186 HD3 ARG 24 HD1 ARG 24 -6.848 4.403 -4.573
187 HE ARG 24 HE ARG 24 -6.852 6.886 -3.445
188 HH11 ARG 24 HH11 ARG 24 -6.220 5.635 -6.658
189 HH12 ARG 24 HH12 ARG 24 -6.749 7.081 -7.462
190 HH21 ARG 24 HH21 ARG 24 -7.535 8.790 -4.501
191 HH22 ARG 24 HH22 ARG 24 -7.501 8.868 -6.232
192 H VAL 25 HN VAL 25 -3.761 7.311 0.412
193 HA VAL 25 HA VAL 25 -1.469 8.463 -0.787
194 HB VAL 25 HB VAL 25 -1.495 10.096 1.076
195 HG11 VAL 25 HG11 VAL 25 -2.851 10.487 -0.890
196 HG12 VAL 25 HG12 VAL 25 -3.696 11.060 0.549
197 HG13 VAL 25 HG13 VAL 25 -4.167 9.535 -0.204
198 HG21 VAL 25 HG21 VAL 25 -3.370 10.012 2.695
199 HG22 VAL 25 HG22 VAL 25 -2.207 8.702 2.909
200 HG23 VAL 25 HG23 VAL 25 -3.753 8.389 2.121
201 H ASN 26 HN ASN 26 -1.906 6.713 2.269
202 HA ASN 26 HA ASN 26 0.879 6.882 2.888
203 HB2 ASN 26 HB2 ASN 26 0.365 5.288 4.730
204 HB3 ASN 26 HB1 ASN 26 -0.600 6.748 4.756
205 HD21 ASN 26 HD21 ASN 26 -1.045 3.783 2.854
206 HD22 ASN 26 HD22 ASN 26 -2.589 3.404 3.522
207 H PHE 27 HN PHE 27 -1.122 4.715 1.090
208 HA PHE 27 HA PHE 27 0.600 2.467 0.997
209 HB2 PHE 27 HB2 PHE 27 -1.744 2.384 0.253
210 HB3 PHE 27 HB1 PHE 27 -1.357 3.465 -1.084
211 HD1 PHE 27 HD1 PHE 27 -0.261 0.234 0.382
212 HD2 PHE 27 HD2 PHE 27 -0.886 2.534 -3.137
213 HE1 PHE 27 HE1 PHE 27 0.335 -1.715 -0.986
214 HE2 PHE 27 HE2 PHE 27 -0.291 0.587 -4.517
215 HZ PHE 27 HZ PHE 27 0.323 -1.535 -3.432
216 H ILE 28 HN ILE 28 0.204 5.221 -1.234
217 HA ILE 28 HA ILE 28 2.337 4.514 -2.937
218 HB ILE 28 HB ILE 28 1.204 7.268 -2.392
219 HG12 ILE 28 HG12 ILE 28 -0.520 5.713 -3.149
220 HG13 ILE 28 HG11 ILE 28 -0.147 6.871 -4.419
221 HG21 ILE 28 HG21 ILE 28 2.106 7.867 -4.588
222 HG22 ILE 28 HG22 ILE 28 2.832 6.267 -4.727
223 HG23 ILE 28 HG23 ILE 28 3.385 7.380 -3.476
224 HD11 ILE 28 HD11 ILE 28 1.239 5.176 -5.530
225 HD12 ILE 28 HD12 ILE 28 -0.437 4.659 -5.342
226 HD13 ILE 28 HD13 ILE 28 0.809 4.020 -4.270
227 H ARG 29 HN ARG 29 2.158 6.380 0.020
228 HA ARG 29 HA ARG 29 4.758 7.420 0.075
229 HB2 ARG 29 HB2 ARG 29 2.896 8.056 1.607
230 HB3 ARG 29 HB1 ARG 29 3.074 6.508 2.417
231 HG2 ARG 29 HG2 ARG 29 5.347 7.118 3.079
232 HG3 ARG 29 HG1 ARG 29 5.156 8.676 2.273
233 HD2 ARG 29 HD2 ARG 29 4.769 8.951 4.635
234 HD3 ARG 29 HD1 ARG 29 3.254 9.178 3.764
235 HE ARG 29 HE ARG 29 3.665 6.493 4.723
236 HH11 ARG 29 HH11 ARG 29 2.425 9.670 5.508
237 HH12 ARG 29 HH12 ARG 29 1.385 9.093 6.770
238 HH21 ARG 29 HH21 ARG 29 2.293 5.728 6.388
239 HH22 ARG 29 HH22 ARG 29 1.315 6.852 7.276
240 H HIS 30 HN HIS 30 3.458 4.318 1.132
241 HA HIS 30 HA HIS 30 5.890 3.333 2.235
242 HB2 HIS 30 HB2 HIS 30 3.866 2.404 3.047
243 HB3 HIS 30 HB1 HIS 30 3.287 2.049 1.428
244 HD1 HIS 30 HD1 HIS 30 6.049 0.833 3.798
245 HD2 HIS 30 HD2 HIS 30 3.646 -0.469 0.666
246 HE1 HIS 30 HE1 HIS 30 6.448 -1.665 3.569
247 H LEU 31 HN LEU 31 4.288 2.954 -0.908
248 HA LEU 31 HA LEU 31 6.175 1.133 -1.980
249 HB2 LEU 31 HB2 LEU 31 4.052 2.886 -3.107
250 HB3 LEU 31 HB1 LEU 31 5.261 2.264 -4.210
251 HG LEU 31 HG LEU 31 3.195 0.895 -4.138
252 HD11 LEU 31 HD11 LEU 31 4.300 -1.267 -3.945
253 HD12 LEU 31 HD12 LEU 31 5.665 -0.505 -3.132
254 HD13 LEU 31 HD13 LEU 31 5.307 -0.109 -4.813
255 HD21 LEU 31 HD21 LEU 31 2.764 -0.524 -2.200
256 HD22 LEU 31 HD22 LEU 31 2.625 1.185 -1.787
257 HD23 LEU 31 HD23 LEU 31 4.064 0.279 -1.319
258 H ARG 32 HN ARG 32 5.989 4.650 -1.953
259 HA ARG 32 HA ARG 32 8.238 5.106 -3.621
260 HB2 ARG 32 HB2 ARG 32 6.521 6.815 -3.107
261 HB3 ARG 32 HB1 ARG 32 7.084 6.860 -1.444
262 HG2 ARG 32 HG2 ARG 32 9.309 7.600 -2.290
263 HG3 ARG 32 HG1 ARG 32 8.597 7.709 -3.900
264 HD2 ARG 32 HD2 ARG 32 7.688 9.223 -1.456
265 HD3 ARG 32 HD1 ARG 32 8.629 9.886 -2.787
266 HE ARG 32 HE ARG 32 6.703 9.582 -4.211
267 HH11 ARG 32 HH11 ARG 32 6.100 9.225 -0.774
268 HH12 ARG 32 HH12 ARG 32 4.415 9.618 -0.902
269 HH21 ARG 32 HH21 ARG 32 4.485 10.111 -4.365
270 HH22 ARG 32 HH22 ARG 32 3.499 10.115 -2.936
271 H SER 33 HN SER 33 7.879 4.166 -0.330
272 HA SER 33 HA SER 33 10.468 5.075 0.533
273 HB2 SER 33 HB2 SER 33 8.418 4.843 2.017
274 HB3 SER 33 HB1 SER 33 8.670 3.101 1.946
275 HG SER 33 HG SER 33 10.736 3.430 2.868
276 H ARG 34 HN ARG 34 9.795 2.826 -1.628
277 HA ARG 34 HA ARG 34 11.447 0.656 -0.737
278 HB2 ARG 34 HB2 ARG 34 10.439 1.459 -3.467
279 HB3 ARG 34 HB1 ARG 34 11.448 0.043 -3.199
280 HG2 ARG 34 HG2 ARG 34 9.750 -0.891 -1.717
281 HG3 ARG 34 HG1 ARG 34 8.738 0.531 -1.982
282 HD2 ARG 34 HD2 ARG 34 9.660 -1.355 -4.144
283 HD3 ARG 34 HD1 ARG 34 8.082 -1.419 -3.363
284 HE ARG 34 HE ARG 34 8.331 1.154 -4.315
285 HH11 ARG 34 HH11 ARG 34 8.407 -2.061 -5.702
286 HH12 ARG 34 HH12 ARG 34 7.749 -1.558 -7.223
287 HH21 ARG 34 HH21 ARG 34 7.443 1.814 -6.319
288 HH22 ARG 34 HH22 ARG 34 7.196 0.640 -7.573
289 H ARG 35 HN ARG 35 12.025 3.772 -1.663
290 HA ARG 35 HA ARG 35 14.423 3.610 -3.130
291 HB2 ARG 35 HB2 ARG 35 13.025 5.614 -3.013
292 HB3 ARG 35 HB1 ARG 35 13.361 5.768 -1.299
293 HG2 ARG 35 HG2 ARG 35 15.726 6.162 -1.813
294 HG3 ARG 35 HG1 ARG 35 15.352 6.054 -3.537
295 HD2 ARG 35 HD2 ARG 35 13.841 7.951 -3.346
296 HD3 ARG 35 HD1 ARG 35 14.149 8.041 -1.613
297 HE ARG 35 HE ARG 35 16.509 8.262 -3.250
298 HH11 ARG 35 HH11 ARG 35 13.883 9.986 -1.718
299 HH12 ARG 35 HH12 ARG 35 14.725 11.500 -1.674
300 HH21 ARG 35 HH21 ARG 35 17.617 10.265 -3.222
301 HH22 ARG 35 HH22 ARG 35 16.847 11.660 -2.541
302 H GLU 36 HN GLU 36 13.732 3.113 0.202
303 HA GLU 36 HA GLU 36 16.568 3.478 0.908
304 HB2 GLU 36 HB2 GLU 36 14.150 3.593 2.717
305 HB3 GLU 36 HB1 GLU 36 15.816 3.881 3.198
306 HG2 GLU 36 HG2 GLU 36 15.913 5.850 1.790
307 HG3 GLU 36 HG1 GLU 36 14.277 5.539 1.212
308 H GLN 37 HN GLN 37 15.318 1.049 -0.229
309 HA GLN 37 HA GLN 37 15.410 -0.781 2.056
310 HB2 GLN 37 HB2 GLN 37 14.536 -1.221 -0.799
311 HB3 GLN 37 HB1 GLN 37 14.567 -2.476 0.430
312 HG2 GLN 37 HG2 GLN 37 12.928 -1.236 1.744
313 HG3 GLN 37 HG1 GLN 37 12.905 0.033 0.520
314 HE21 GLN 37 HE21 GLN 37 13.142 -1.925 -1.664
315 HE22 GLN 37 HE22 GLN 37 11.580 -2.650 -1.815
316 H LYS 38 HN LYS 38 16.469 -2.936 1.596
317 HA LYS 38 HA LYS 38 18.772 -2.731 -0.199
318 HB2 LYS 38 HB2 LYS 38 20.203 -3.811 1.555
319 HB3 LYS 38 HB1 LYS 38 19.723 -2.163 1.927
320 HG2 LYS 38 HG2 LYS 38 18.003 -2.997 3.442
321 HG3 LYS 38 HG1 LYS 38 18.465 -4.655 3.060
322 HD2 LYS 38 HD2 LYS 38 20.300 -2.600 4.289
323 HD3 LYS 38 HD1 LYS 38 19.416 -3.822 5.200
324 HE2 LYS 38 HE2 LYS 38 21.413 -4.417 3.020
325 HE3 LYS 38 HE1 LYS 38 21.782 -4.431 4.740
326 HZ1 LYS 38 HZ1 LYS 38 21.330 -6.650 3.852
327 HZ2 LYS 38 HZ2 LYS 38 19.763 -6.170 3.429
328 HZ3 LYS 38 HZ3 LYS 38 20.220 -6.219 5.053
329 HA PRO 39 HA PRO 39 16.594 -6.478 -1.509
330 HB2 PRO 39 HB2 PRO 39 19.118 -6.474 -3.116
331 HB3 PRO 39 HB1 PRO 39 17.459 -6.803 -3.630
332 HG2 PRO 39 HG2 PRO 39 18.589 -4.455 -4.150
333 HG3 PRO 39 HG1 PRO 39 16.885 -4.553 -3.664
334 HD2 PRO 39 HD2 PRO 39 19.251 -3.650 -2.104
335 HD3 PRO 39 HD1 PRO 39 17.564 -3.113 -2.010
336 H HIS 40 HN HIS 40 20.121 -6.355 -0.948
337 HA HIS 40 HA HIS 40 19.899 -8.529 0.926
338 HB2 HIS 40 HB2 HIS 40 20.065 -9.706 -1.276
339 HB3 HIS 40 HB1 HIS 40 21.627 -8.936 -1.521
340 HD1 HIS 40 HD1 HIS 40 19.922 -11.557 0.554
341 HD2 HIS 40 HD2 HIS 40 23.748 -10.086 -0.130
342 HE1 HIS 40 HE1 HIS 40 21.482 -13.172 1.686
343 HE2 HIS 40 HE2 HIS 40 23.778 -12.192 1.369
344 H LYS 41 HN LYS 41 22.446 -7.100 -1.101
345 HA LYS 41 HA LYS 41 24.366 -6.008 -0.631
346 HB2 LYS 41 HB2 LYS 41 22.816 -4.445 0.532
347 HB3 LYS 41 HB1 LYS 41 23.067 -5.350 2.017
348 HG2 LYS 41 HG2 LYS 41 25.415 -4.757 2.017
349 HG3 LYS 41 HG1 LYS 41 25.221 -3.911 0.480
350 HD2 LYS 41 HD2 LYS 41 23.618 -2.381 1.552
351 HD3 LYS 41 HD1 LYS 41 23.877 -3.209 3.087
352 HE2 LYS 41 HE2 LYS 41 26.027 -1.817 1.497
353 HE3 LYS 41 HE1 LYS 41 25.170 -1.108 2.864
354 HZ1 LYS 41 HZ1 LYS 41 27.257 -1.989 3.595
355 HZ2 LYS 41 HZ2 LYS 41 26.925 -3.503 2.924
356 HZ3 LYS 41 HZ3 LYS 41 26.025 -2.948 4.241
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 -20.955 -13.913 -1.962
2 H2 GLY 1 HT2 GLY 1 -22.441 -13.402 -2.572
3 H3 GLY 1 HT3 GLY 1 -22.343 -14.833 -1.678
4 HA2 GLY 1 HA1 GLY 1 -23.286 -13.044 -0.354
5 HA3 GLY 1 HA2 GLY 1 -21.762 -13.619 0.304
6 H ALA 2 HN ALA 2 -22.086 -11.367 1.324
7 HA ALA 2 HA ALA 2 -20.401 -9.535 -0.196
8 HB1 ALA 2 HB1 ALA 2 -23.044 -8.675 0.985
9 HB2 ALA 2 HB2 ALA 2 -22.694 -8.846 -0.735
10 HB3 ALA 2 HB3 ALA 2 -21.855 -7.621 0.218
11 H MET 3 HN MET 3 -18.816 -8.852 1.088
12 HA MET 3 HA MET 3 -19.286 -7.987 3.758
13 HB2 MET 3 HB2 MET 3 -17.793 -9.572 4.900
14 HB3 MET 3 HB1 MET 3 -19.214 -10.367 4.242
15 HG2 MET 3 HG2 MET 3 -17.888 -11.171 2.354
16 HG3 MET 3 HG1 MET 3 -16.462 -10.377 3.024
17 HE1 MET 3 HE1 MET 3 -16.628 -13.487 2.238
18 HE2 MET 3 HE2 MET 3 -15.784 -14.220 3.603
19 HE3 MET 3 HE3 MET 3 -15.166 -12.735 2.879
20 H GLU 4 HN GLU 4 -16.983 -7.635 4.849
21 HA GLU 4 HA GLU 4 -15.660 -5.825 3.085
22 HB2 GLU 4 HB2 GLU 4 -14.958 -6.714 5.886
23 HB3 GLU 4 HB1 GLU 4 -14.189 -5.386 5.029
24 HG2 GLU 4 HG2 GLU 4 -17.077 -5.553 5.854
25 HG3 GLU 4 HG1 GLU 4 -15.828 -4.541 6.578
26 H VAL 5 HN VAL 5 -13.085 -5.858 3.437
27 HA VAL 5 HA VAL 5 -11.076 -6.802 2.961
28 HB VAL 5 HB VAL 5 -12.466 -9.463 3.331
29 HG11 VAL 5 HG11 VAL 5 -9.525 -8.828 3.123
30 HG12 VAL 5 HG12 VAL 5 -10.489 -9.691 1.926
31 HG13 VAL 5 HG13 VAL 5 -10.212 -10.403 3.515
32 HG21 VAL 5 HG21 VAL 5 -10.687 -7.890 5.192
33 HG22 VAL 5 HG22 VAL 5 -11.342 -9.497 5.504
34 HG23 VAL 5 HG23 VAL 5 -12.428 -8.115 5.362
35 H GLN 6 HN GLN 6 -13.571 -8.856 1.433
36 HA GLN 6 HA GLN 6 -12.033 -8.859 -1.043
37 HB2 GLN 6 HB2 GLN 6 -13.694 -10.492 -1.827
38 HB3 GLN 6 HB1 GLN 6 -12.984 -10.975 -0.292
39 HG2 GLN 6 HG2 GLN 6 -14.923 -10.474 0.900
40 HG3 GLN 6 HG1 GLN 6 -15.583 -9.495 -0.409
41 HE21 GLN 6 HE21 GLN 6 -14.974 -12.734 0.716
42 HE22 GLN 6 HE22 GLN 6 -16.063 -13.522 -0.371
43 H THR 7 HN THR 7 -13.922 -6.644 0.223
44 HA THR 7 HA THR 7 -16.084 -6.263 -1.506
45 HB THR 7 HB THR 7 -14.599 -4.000 -0.191
46 HG1 THR 7 HG1 THR 7 -16.319 -5.954 0.995
47 HG21 THR 7 HG21 THR 7 -16.531 -3.441 -1.616
48 HG22 THR 7 HG22 THR 7 -16.837 -3.068 0.080
49 HG23 THR 7 HG23 THR 7 -17.544 -4.512 -0.646
50 H SER 8 HN SER 8 -12.724 -5.594 -1.893
51 HA SER 8 HA SER 8 -11.462 -4.922 -3.641
52 HB2 SER 8 HB2 SER 8 -13.995 -5.068 -5.293
53 HB3 SER 8 HB1 SER 8 -12.335 -5.111 -5.890
54 HG SER 8 HG SER 8 -13.089 -7.021 -3.989
55 H GLN 9 HN GLN 9 -12.939 -3.048 -1.930
56 HA GLN 9 HA GLN 9 -13.697 -0.815 -3.556
57 HB2 GLN 9 HB2 GLN 9 -14.653 -1.255 -1.302
58 HB3 GLN 9 HB1 GLN 9 -13.080 -0.917 -0.596
59 HG2 GLN 9 HG2 GLN 9 -13.198 1.373 -1.488
60 HG3 GLN 9 HG1 GLN 9 -14.804 1.020 -2.123
61 HE21 GLN 9 HE21 GLN 9 -12.913 1.588 0.728
62 HE22 GLN 9 HE22 GLN 9 -14.242 1.821 1.809
63 H LYS 10 HN LYS 10 -11.059 -1.292 -1.206
64 HA LYS 10 HA LYS 10 -9.123 -0.246 -3.016
65 HB2 LYS 10 HB2 LYS 10 -8.436 1.646 -1.460
66 HB3 LYS 10 HB1 LYS 10 -9.860 1.900 -2.452
67 HG2 LYS 10 HG2 LYS 10 -11.277 1.348 -0.508
68 HG3 LYS 10 HG1 LYS 10 -9.819 1.191 0.473
69 HD2 LYS 10 HD2 LYS 10 -10.869 3.390 0.757
70 HD3 LYS 10 HD1 LYS 10 -9.261 3.525 0.046
71 HE2 LYS 10 HE2 LYS 10 -10.260 3.768 -2.173
72 HE3 LYS 10 HE1 LYS 10 -11.869 3.609 -1.474
73 HZ1 LYS 10 HZ1 LYS 10 -9.940 5.778 -0.846
74 HZ2 LYS 10 HZ2 LYS 10 -11.514 5.642 -0.247
75 HZ3 LYS 10 HZ3 LYS 10 -11.260 5.921 -1.894
76 H SER 11 HN SER 11 -8.821 -2.544 -2.246
77 HA SER 11 HA SER 11 -7.274 -2.706 0.226
78 HB2 SER 11 HB2 SER 11 -7.972 -4.898 -1.745
79 HB3 SER 11 HB1 SER 11 -7.313 -5.111 -0.122
80 HG SER 11 HG SER 11 -9.272 -5.033 0.603
81 H TYR 12 HN TYR 12 -5.294 -1.794 -0.116
82 HA TYR 12 HA TYR 12 -3.892 -2.389 -2.619
83 HB2 TYR 12 HB2 TYR 12 -2.978 -0.571 -0.393
84 HB3 TYR 12 HB1 TYR 12 -2.396 -0.610 -2.052
85 HD1 TYR 12 HD1 TYR 12 -4.880 0.675 0.222
86 HD2 TYR 12 HD2 TYR 12 -3.853 0.252 -3.882
87 HE1 TYR 12 HE1 TYR 12 -6.495 2.421 -0.351
88 HE2 TYR 12 HE2 TYR 12 -5.472 2.004 -4.471
89 HH TYR 12 HH TYR 12 -7.003 3.971 -2.077
90 H VAL 13 HN VAL 13 -2.785 -4.248 -2.565
91 HA VAL 13 HA VAL 13 -1.187 -4.818 -0.159
92 HB VAL 13 HB VAL 13 -1.883 -6.730 -2.393
93 HG11 VAL 13 HG11 VAL 13 -0.589 -7.192 0.291
94 HG12 VAL 13 HG12 VAL 13 0.209 -7.273 -1.280
95 HG13 VAL 13 HG13 VAL 13 -1.037 -8.449 -0.861
96 HG21 VAL 13 HG21 VAL 13 -3.046 -6.535 0.379
97 HG22 VAL 13 HG22 VAL 13 -3.417 -7.774 -0.817
98 HG23 VAL 13 HG23 VAL 13 -3.871 -6.096 -1.117
99 H CYS 14 HN CYS 14 0.885 -4.259 -0.328
100 HA CYS 14 HA CYS 14 2.140 -3.833 -2.866
101 HB2 CYS 14 HB2 CYS 14 2.869 -2.564 -0.897
102 HB3 CYS 14 HB1 CYS 14 3.364 -4.055 -0.105
103 HA PRO 15 HA PRO 15 2.570 -8.122 -3.691
104 HB2 PRO 15 HB2 PRO 15 4.325 -7.913 -5.783
105 HB3 PRO 15 HB1 PRO 15 2.591 -7.608 -5.916
106 HG2 PRO 15 HG2 PRO 15 4.838 -5.651 -5.586
107 HG3 PRO 15 HG1 PRO 15 3.421 -5.560 -6.651
108 HD2 PRO 15 HD2 PRO 15 3.531 -4.202 -4.347
109 HD3 PRO 15 HD1 PRO 15 2.017 -4.919 -4.926
110 H ASN 16 HN ASN 16 5.343 -6.091 -3.084
111 HA ASN 16 HA ASN 16 7.118 -8.381 -2.935
112 HB2 ASN 16 HB2 ASN 16 7.888 -6.312 -4.021
113 HB3 ASN 16 HB1 ASN 16 7.710 -5.455 -2.493
114 HD21 ASN 16 HD21 ASN 16 9.516 -7.915 -4.195
115 HD22 ASN 16 HD22 ASN 16 10.866 -7.952 -3.110
116 H CYS 17 HN CYS 17 5.697 -5.992 -0.753
117 HA CYS 17 HA CYS 17 7.247 -7.126 1.452
118 HB2 CYS 17 HB2 CYS 17 5.460 -4.707 1.591
119 HB3 CYS 17 HB1 CYS 17 6.780 -5.147 2.668
120 H GLY 18 HN GLY 18 4.118 -7.317 0.131
121 HA2 GLY 18 HA2 GLY 18 2.272 -8.509 0.843
122 HA3 GLY 18 HA1 GLY 18 3.204 -9.014 2.246
123 H LYS 19 HN LYS 19 3.041 -5.663 1.656
124 HA LYS 19 HA LYS 19 1.707 -5.276 4.191
125 HB2 LYS 19 HB2 LYS 19 3.766 -4.004 3.007
126 HB3 LYS 19 HB1 LYS 19 2.450 -2.969 2.477
127 HG2 LYS 19 HG2 LYS 19 3.389 -2.055 4.473
128 HG3 LYS 19 HG1 LYS 19 1.786 -2.690 4.853
129 HD2 LYS 19 HD2 LYS 19 2.730 -4.649 5.854
130 HD3 LYS 19 HD1 LYS 19 4.347 -4.213 5.307
131 HE2 LYS 19 HE2 LYS 19 2.685 -2.645 7.276
132 HE3 LYS 19 HE1 LYS 19 4.004 -3.737 7.697
133 HZ1 LYS 19 HZ1 LYS 19 5.487 -2.304 6.342
134 HZ2 LYS 19 HZ2 LYS 19 4.830 -1.521 7.694
135 HZ3 LYS 19 HZ3 LYS 19 4.205 -1.211 6.157
136 H ILE 20 HN ILE 20 -0.379 -4.757 4.428
137 HA ILE 20 HA ILE 20 -1.927 -4.159 2.001
138 HB ILE 20 HB ILE 20 -2.733 -6.172 2.960
139 HG12 ILE 20 HG12 ILE 20 -5.034 -5.552 3.778
140 HG13 ILE 20 HG11 ILE 20 -4.516 -3.870 3.766
141 HG21 ILE 20 HG21 ILE 20 -1.704 -6.043 5.136
142 HG22 ILE 20 HG22 ILE 20 -3.426 -6.384 5.309
143 HG23 ILE 20 HG23 ILE 20 -2.814 -4.758 5.616
144 HD11 ILE 20 HD11 ILE 20 -4.093 -4.041 1.357
145 HD12 ILE 20 HD12 ILE 20 -5.774 -4.373 1.779
146 HD13 ILE 20 HD13 ILE 20 -4.682 -5.703 1.389
147 H PHE 21 HN PHE 21 -2.697 -2.182 1.763
148 HA PHE 21 HA PHE 21 -2.974 -0.479 4.143
149 HB2 PHE 21 HB2 PHE 21 -2.151 0.254 1.327
150 HB3 PHE 21 HB1 PHE 21 -2.580 1.438 2.555
151 HD1 PHE 21 HD1 PHE 21 -0.075 -0.985 1.455
152 HD2 PHE 21 HD2 PHE 21 -1.109 1.884 4.419
153 HE1 PHE 21 HE1 PHE 21 2.256 -0.951 2.232
154 HE2 PHE 21 HE2 PHE 21 1.215 1.909 5.213
155 HZ PHE 21 HZ PHE 21 2.904 0.492 4.121
156 H ARG 22 HN ARG 22 -4.743 0.907 4.198
157 HA ARG 22 HA ARG 22 -6.959 0.033 2.492
158 HB2 ARG 22 HB2 ARG 22 -7.056 -0.147 5.033
159 HB3 ARG 22 HB1 ARG 22 -7.149 1.608 5.054
160 HG2 ARG 22 HG2 ARG 22 -9.207 1.577 3.844
161 HG3 ARG 22 HG1 ARG 22 -9.076 -0.165 3.590
162 HD2 ARG 22 HD2 ARG 22 -10.650 0.329 5.381
163 HD3 ARG 22 HD1 ARG 22 -9.242 -0.531 5.996
164 HE ARG 22 HE ARG 22 -9.326 2.388 6.209
165 HH11 ARG 22 HH11 ARG 22 -9.369 -0.757 7.734
166 HH12 ARG 22 HH12 ARG 22 -9.134 -0.132 9.334
167 HH21 ARG 22 HH21 ARG 22 -9.035 3.226 8.328
168 HH22 ARG 22 HH22 ARG 22 -8.969 2.138 9.675
169 H TRP 23 HN TRP 23 -4.806 2.562 2.952
170 HA TRP 23 HA TRP 23 -6.561 4.424 1.493
171 HB2 TRP 23 HB2 TRP 23 -4.442 5.308 3.450
172 HB3 TRP 23 HB1 TRP 23 -5.725 6.275 2.729
173 HD1 TRP 23 HD1 TRP 23 -4.890 4.468 5.811
174 HE1 TRP 23 HE1 TRP 23 -6.969 4.184 7.305
175 HE3 TRP 23 HE3 TRP 23 -8.501 5.741 2.422
176 HZ2 TRP 23 HZ2 TRP 23 -9.776 4.467 7.062
177 HZ3 TRP 23 HZ3 TRP 23 -10.854 5.706 3.136
178 HH2 TRP 23 HH2 TRP 23 -11.474 5.082 5.405
179 H ARG 24 HN ARG 24 -5.617 5.614 -0.117
180 HA ARG 24 HA ARG 24 -3.415 4.334 -1.395
181 HB2 ARG 24 HB2 ARG 24 -5.380 5.259 -2.587
182 HB3 ARG 24 HB1 ARG 24 -4.843 6.877 -2.161
183 HG2 ARG 24 HG2 ARG 24 -2.853 6.624 -3.474
184 HG3 ARG 24 HG1 ARG 24 -3.245 4.934 -3.805
185 HD2 ARG 24 HD2 ARG 24 -5.297 5.665 -4.954
186 HD3 ARG 24 HD1 ARG 24 -4.835 7.343 -4.674
187 HE ARG 24 HE ARG 24 -2.824 6.844 -6.050
188 HH11 ARG 24 HH11 ARG 24 -5.741 4.924 -6.428
189 HH12 ARG 24 HH12 ARG 24 -5.358 4.450 -8.051
190 HH21 ARG 24 HH21 ARG 24 -2.317 6.183 -8.167
191 HH22 ARG 24 HH22 ARG 24 -3.414 5.156 -9.034
192 H VAL 25 HN VAL 25 -3.789 7.321 0.428
193 HA VAL 25 HA VAL 25 -1.486 8.629 -0.509
194 HB VAL 25 HB VAL 25 -1.592 9.929 1.664
195 HG11 VAL 25 HG11 VAL 25 -4.076 9.725 -0.033
196 HG12 VAL 25 HG12 VAL 25 -2.660 10.724 -0.358
197 HG13 VAL 25 HG13 VAL 25 -3.682 11.070 1.037
198 HG21 VAL 25 HG21 VAL 25 -3.621 9.663 3.021
199 HG22 VAL 25 HG22 VAL 25 -2.609 8.219 3.076
200 HG23 VAL 25 HG23 VAL 25 -4.062 8.240 2.077
201 H ASN 26 HN ASN 26 -1.910 6.620 2.397
202 HA ASN 26 HA ASN 26 0.862 6.756 3.087
203 HB2 ASN 26 HB2 ASN 26 0.136 4.749 4.603
204 HB3 ASN 26 HB1 ASN 26 -0.438 6.372 4.964
205 HD21 ASN 26 HD21 ASN 26 -1.304 3.383 3.334
206 HD22 ASN 26 HD22 ASN 26 -3.004 3.535 3.596
207 H PHE 27 HN PHE 27 -1.140 4.572 1.229
208 HA PHE 27 HA PHE 27 0.654 2.445 0.889
209 HB2 PHE 27 HB2 PHE 27 -1.685 2.395 0.100
210 HB3 PHE 27 HB1 PHE 27 -1.281 3.569 -1.149
211 HD1 PHE 27 HD1 PHE 27 -0.035 0.311 0.124
212 HD2 PHE 27 HD2 PHE 27 -0.873 2.735 -3.260
213 HE1 PHE 27 HE1 PHE 27 0.632 -1.536 -1.347
214 HE2 PHE 27 HE2 PHE 27 -0.207 0.892 -4.749
215 HZ PHE 27 HZ PHE 27 0.552 -1.243 -3.782
216 H ILE 28 HN ILE 28 0.236 5.389 -1.076
217 HA ILE 28 HA ILE 28 2.363 4.859 -2.843
218 HB ILE 28 HB ILE 28 1.180 7.521 -2.037
219 HG12 ILE 28 HG12 ILE 28 -0.510 6.115 -3.008
220 HG13 ILE 28 HG11 ILE 28 -0.030 7.292 -4.224
221 HG21 ILE 28 HG21 ILE 28 2.122 8.375 -4.138
222 HG22 ILE 28 HG22 ILE 28 2.923 6.828 -4.396
223 HG23 ILE 28 HG23 ILE 28 3.376 7.836 -3.023
224 HD11 ILE 28 HD11 ILE 28 0.813 4.405 -4.087
225 HD12 ILE 28 HD12 ILE 28 1.400 5.573 -5.267
226 HD13 ILE 28 HD13 ILE 28 -0.307 5.131 -5.239
227 H ARG 29 HN ARG 29 2.216 6.413 0.289
228 HA ARG 29 HA ARG 29 4.796 7.481 0.437
229 HB2 ARG 29 HB2 ARG 29 2.944 7.827 2.095
230 HB3 ARG 29 HB1 ARG 29 3.229 6.197 2.682
231 HG2 ARG 29 HG2 ARG 29 5.588 6.902 3.189
232 HG3 ARG 29 HG1 ARG 29 5.079 8.555 2.844
233 HD2 ARG 29 HD2 ARG 29 3.934 6.728 4.950
234 HD3 ARG 29 HD1 ARG 29 4.987 8.112 5.231
235 HE ARG 29 HE ARG 29 2.876 9.188 3.913
236 HH11 ARG 29 HH11 ARG 29 3.154 7.159 6.751
237 HH12 ARG 29 HH12 ARG 29 1.737 7.809 7.511
238 HH21 ARG 29 HH21 ARG 29 1.016 10.049 4.909
239 HH22 ARG 29 HH22 ARG 29 0.517 9.456 6.463
240 H HIS 30 HN HIS 30 3.563 4.274 1.266
241 HA HIS 30 HA HIS 30 6.006 3.105 2.046
242 HB2 HIS 30 HB2 HIS 30 3.929 2.048 2.627
243 HB3 HIS 30 HB1 HIS 30 3.446 1.941 0.943
244 HD1 HIS 30 HD1 HIS 30 6.491 0.598 2.876
245 HD2 HIS 30 HD2 HIS 30 3.525 -0.601 0.221
246 HE1 HIS 30 HE1 HIS 30 6.859 -1.874 2.443
247 H LEU 31 HN LEU 31 4.312 3.216 -1.051
248 HA LEU 31 HA LEU 31 6.161 1.627 -2.458
249 HB2 LEU 31 HB2 LEU 31 3.879 3.360 -3.147
250 HB3 LEU 31 HB1 LEU 31 5.042 3.082 -4.429
251 HG LEU 31 HG LEU 31 3.099 1.508 -4.438
252 HD11 LEU 31 HD11 LEU 31 5.174 0.915 -5.540
253 HD12 LEU 31 HD12 LEU 31 4.446 -0.508 -4.795
254 HD13 LEU 31 HD13 LEU 31 5.823 0.284 -4.026
255 HD21 LEU 31 HD21 LEU 31 3.077 -0.320 -2.801
256 HD22 LEU 31 HD22 LEU 31 2.798 1.243 -2.034
257 HD23 LEU 31 HD23 LEU 31 4.376 0.467 -1.907
258 H ARG 32 HN ARG 32 6.212 5.013 -1.632
259 HA ARG 32 HA ARG 32 8.079 5.928 -3.503
260 HB2 ARG 32 HB2 ARG 32 7.733 6.707 -0.604
261 HB3 ARG 32 HB1 ARG 32 8.772 7.563 -1.730
262 HG2 ARG 32 HG2 ARG 32 5.788 7.247 -1.999
263 HG3 ARG 32 HG1 ARG 32 6.622 8.681 -1.405
264 HD2 ARG 32 HD2 ARG 32 6.120 9.136 -3.656
265 HD3 ARG 32 HD1 ARG 32 7.832 8.726 -3.632
266 HE ARG 32 HE ARG 32 5.938 6.597 -4.270
267 HH11 ARG 32 HH11 ARG 32 8.251 8.956 -5.413
268 HH12 ARG 32 HH12 ARG 32 8.531 8.140 -6.920
269 HH21 ARG 32 HH21 ARG 32 6.282 5.535 -6.276
270 HH22 ARG 32 HH22 ARG 32 7.404 6.212 -7.414
271 H SER 33 HN SER 33 8.539 4.157 -0.485
272 HA SER 33 HA SER 33 11.415 3.989 -0.996
273 HB2 SER 33 HB2 SER 33 10.634 4.520 1.305
274 HB3 SER 33 HB1 SER 33 9.812 2.963 1.361
275 HG SER 33 HG SER 33 11.860 2.870 2.357
276 H ARG 34 HN ARG 34 8.505 2.223 -1.259
277 HA ARG 34 HA ARG 34 7.956 0.256 -2.218
278 HB2 ARG 34 HB2 ARG 34 10.894 0.129 -2.884
279 HB3 ARG 34 HB1 ARG 34 9.736 -1.093 -3.380
280 HG2 ARG 34 HG2 ARG 34 8.629 0.378 -4.820
281 HG3 ARG 34 HG1 ARG 34 9.382 1.796 -4.086
282 HD2 ARG 34 HD2 ARG 34 10.821 -0.345 -5.653
283 HD3 ARG 34 HD1 ARG 34 10.378 1.249 -6.267
284 HE ARG 34 HE ARG 34 11.828 1.800 -4.042
285 HH11 ARG 34 HH11 ARG 34 12.440 -0.161 -6.872
286 HH12 ARG 34 HH12 ARG 34 14.150 0.138 -6.865
287 HH21 ARG 34 HH21 ARG 34 14.077 2.186 -4.015
288 HH22 ARG 34 HH22 ARG 34 15.080 1.478 -5.240
289 H ARG 35 HN ARG 35 11.171 -0.656 -1.086
290 HA ARG 35 HA ARG 35 9.924 -2.880 0.357
291 HB2 ARG 35 HB2 ARG 35 11.520 -3.370 -1.480
292 HB3 ARG 35 HB1 ARG 35 12.769 -2.514 -0.594
293 HG2 ARG 35 HG2 ARG 35 12.742 -4.149 1.149
294 HG3 ARG 35 HG1 ARG 35 11.341 -4.947 0.429
295 HD2 ARG 35 HD2 ARG 35 14.047 -4.671 -0.874
296 HD3 ARG 35 HD1 ARG 35 13.452 -6.122 -0.071
297 HE ARG 35 HE ARG 35 11.538 -5.792 -1.845
298 HH11 ARG 35 HH11 ARG 35 14.998 -5.450 -2.284
299 HH12 ARG 35 HH12 ARG 35 14.955 -5.890 -3.961
300 HH21 ARG 35 HH21 ARG 35 11.485 -6.351 -4.066
301 HH22 ARG 35 HH22 ARG 35 12.963 -6.387 -4.977
302 H GLU 36 HN GLU 36 10.116 -3.072 2.501
303 HA GLU 36 HA GLU 36 11.276 -0.845 3.953
304 HB2 GLU 36 HB2 GLU 36 9.808 -3.249 5.045
305 HB3 GLU 36 HB1 GLU 36 10.125 -1.734 5.878
306 HG2 GLU 36 HG2 GLU 36 8.703 -0.569 4.246
307 HG3 GLU 36 HG1 GLU 36 8.351 -2.120 3.489
308 H GLN 37 HN GLN 37 11.697 -4.341 3.680
309 HA GLN 37 HA GLN 37 14.148 -4.080 5.296
310 HB2 GLN 37 HB2 GLN 37 12.696 -6.667 4.936
311 HB3 GLN 37 HB1 GLN 37 13.836 -6.218 6.186
312 HG2 GLN 37 HG2 GLN 37 12.197 -4.716 7.175
313 HG3 GLN 37 HG1 GLN 37 11.039 -5.143 5.914
314 HE21 GLN 37 HE21 GLN 37 10.082 -7.174 5.938
315 HE22 GLN 37 HE22 GLN 37 10.120 -8.190 7.337
316 H LYS 38 HN LYS 38 15.968 -4.922 4.531
317 HA LYS 38 HA LYS 38 15.951 -5.851 1.767
318 HB2 LYS 38 HB2 LYS 38 17.398 -3.934 2.311
319 HB3 LYS 38 HB1 LYS 38 18.284 -4.928 3.454
320 HG2 LYS 38 HG2 LYS 38 19.085 -6.343 1.682
321 HG3 LYS 38 HG1 LYS 38 18.087 -5.488 0.506
322 HD2 LYS 38 HD2 LYS 38 20.299 -4.221 2.120
323 HD3 LYS 38 HD1 LYS 38 20.479 -4.811 0.468
324 HE2 LYS 38 HE2 LYS 38 18.578 -2.644 1.366
325 HE3 LYS 38 HE1 LYS 38 20.111 -2.385 0.543
326 HZ1 LYS 38 HZ1 LYS 38 19.242 -3.608 -1.364
327 HZ2 LYS 38 HZ2 LYS 38 18.276 -2.268 -1.004
328 HZ3 LYS 38 HZ3 LYS 38 17.759 -3.817 -0.574
329 HA PRO 39 HA PRO 39 18.186 -9.440 4.125
330 HB2 PRO 39 HB2 PRO 39 17.268 -9.128 6.894
331 HB3 PRO 39 HB1 PRO 39 18.894 -9.446 6.288
332 HG2 PRO 39 HG2 PRO 39 18.219 -7.082 7.374
333 HG3 PRO 39 HG1 PRO 39 19.385 -7.207 6.042
334 HD2 PRO 39 HD2 PRO 39 16.489 -6.436 5.963
335 HD3 PRO 39 HD1 PRO 39 17.870 -5.714 5.113
336 H HIS 40 HN HIS 40 17.163 -11.420 4.272
337 HA HIS 40 HA HIS 40 14.281 -11.376 4.109
338 HB2 HIS 40 HB2 HIS 40 14.562 -13.885 3.785
339 HB3 HIS 40 HB1 HIS 40 15.298 -12.855 2.566
340 HD1 HIS 40 HD1 HIS 40 16.552 -14.361 5.858
341 HD2 HIS 40 HD2 HIS 40 17.696 -13.866 1.892
342 HE1 HIS 40 HE1 HIS 40 18.824 -15.425 5.668
343 HE2 HIS 40 HE2 HIS 40 19.572 -14.928 3.317
344 H LYS 41 HN LYS 41 14.465 -10.463 6.434
345 HA LYS 41 HA LYS 41 14.885 -12.371 8.536
346 HB2 LYS 41 HB2 LYS 41 15.314 -9.940 8.812
347 HB3 LYS 41 HB1 LYS 41 13.590 -9.638 8.641
348 HG2 LYS 41 HG2 LYS 41 13.146 -10.910 10.665
349 HG3 LYS 41 HG1 LYS 41 14.865 -11.273 10.826
350 HD2 LYS 41 HD2 LYS 41 14.313 -9.460 12.306
351 HD3 LYS 41 HD1 LYS 41 15.312 -8.837 10.995
352 HE2 LYS 41 HE2 LYS 41 13.326 -7.987 9.870
353 HE3 LYS 41 HE1 LYS 41 12.306 -8.644 11.146
354 HZ1 LYS 41 HZ1 LYS 41 12.640 -6.331 11.545
355 HZ2 LYS 41 HZ2 LYS 41 14.315 -6.480 11.409
356 HZ3 LYS 41 HZ3 LYS 41 13.510 -7.183 12.719
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 8.141 -7.584 -14.304
2 H2 GLY 1 HT2 GLY 1 8.514 -8.567 -12.982
3 H3 GLY 1 HT3 GLY 1 9.548 -7.302 -13.411
4 HA2 GLY 1 HA1 GLY 1 8.260 -6.694 -11.479
5 HA3 GLY 1 HA2 GLY 1 7.861 -5.679 -12.855
6 H ALA 2 HN ALA 2 6.064 -6.755 -14.278
7 HA ALA 2 HA ALA 2 3.895 -7.346 -14.524
8 HB1 ALA 2 HB1 ALA 2 3.026 -9.209 -13.220
9 HB2 ALA 2 HB2 ALA 2 4.366 -9.056 -12.083
10 HB3 ALA 2 HB3 ALA 2 4.677 -9.534 -13.753
11 H MET 3 HN MET 3 3.742 -4.992 -13.800
12 HA MET 3 HA MET 3 2.489 -4.578 -11.230
13 HB2 MET 3 HB2 MET 3 3.954 -2.848 -12.184
14 HB3 MET 3 HB1 MET 3 2.873 -2.685 -13.559
15 HG2 MET 3 HG2 MET 3 1.110 -1.863 -12.121
16 HG3 MET 3 HG1 MET 3 2.126 -2.107 -10.701
17 HE1 MET 3 HE1 MET 3 4.191 -0.640 -10.074
18 HE2 MET 3 HE2 MET 3 4.884 0.600 -11.119
19 HE3 MET 3 HE3 MET 3 4.968 -1.097 -11.589
20 H GLU 4 HN GLU 4 0.569 -5.588 -11.116
21 HA GLU 4 HA GLU 4 -1.269 -5.638 -13.331
22 HB2 GLU 4 HB2 GLU 4 -0.988 -7.554 -11.785
23 HB3 GLU 4 HB1 GLU 4 -1.632 -6.575 -10.476
24 HG2 GLU 4 HG2 GLU 4 -3.304 -8.102 -11.376
25 HG3 GLU 4 HG1 GLU 4 -3.769 -6.416 -11.605
26 H VAL 5 HN VAL 5 -3.443 -4.873 -13.238
27 HA VAL 5 HA VAL 5 -3.651 -2.179 -12.371
28 HB VAL 5 HB VAL 5 -6.001 -2.301 -13.131
29 HG11 VAL 5 HG11 VAL 5 -4.018 -3.536 -15.033
30 HG12 VAL 5 HG12 VAL 5 -4.246 -1.812 -14.738
31 HG13 VAL 5 HG13 VAL 5 -5.532 -2.757 -15.489
32 HG21 VAL 5 HG21 VAL 5 -6.861 -4.348 -14.152
33 HG22 VAL 5 HG22 VAL 5 -6.500 -4.591 -12.443
34 HG23 VAL 5 HG23 VAL 5 -5.398 -5.207 -13.672
35 H GLN 6 HN GLN 6 -5.050 -1.256 -10.850
36 HA GLN 6 HA GLN 6 -5.406 -2.894 -8.479
37 HB2 GLN 6 HB2 GLN 6 -4.378 -0.635 -8.332
38 HB3 GLN 6 HB1 GLN 6 -5.896 0.065 -8.875
39 HG2 GLN 6 HG2 GLN 6 -5.616 0.233 -6.453
40 HG3 GLN 6 HG1 GLN 6 -7.018 -0.743 -6.890
41 HE21 GLN 6 HE21 GLN 6 -3.803 -0.776 -5.571
42 HE22 GLN 6 HE22 GLN 6 -3.869 -2.373 -4.914
43 H THR 7 HN THR 7 -7.213 -4.014 -8.292
44 HA THR 7 HA THR 7 -9.731 -2.754 -9.153
45 HB THR 7 HB THR 7 -10.585 -5.136 -9.366
46 HG1 THR 7 HG1 THR 7 -9.007 -6.293 -8.300
47 HG21 THR 7 HG21 THR 7 -10.049 -3.781 -11.321
48 HG22 THR 7 HG22 THR 7 -9.578 -5.460 -11.587
49 HG23 THR 7 HG23 THR 7 -8.353 -4.252 -11.198
50 H SER 8 HN SER 8 -7.989 -3.364 -6.525
51 HA SER 8 HA SER 8 -10.206 -4.236 -4.832
52 HB2 SER 8 HB2 SER 8 -7.296 -3.712 -4.164
53 HB3 SER 8 HB1 SER 8 -8.500 -4.363 -3.052
54 HG SER 8 HG SER 8 -7.010 -5.660 -4.868
55 H GLN 9 HN GLN 9 -11.188 -2.918 -3.384
56 HA GLN 9 HA GLN 9 -11.170 -0.159 -4.134
57 HB2 GLN 9 HB2 GLN 9 -13.248 -1.399 -3.628
58 HB3 GLN 9 HB1 GLN 9 -12.747 -1.513 -1.945
59 HG2 GLN 9 HG2 GLN 9 -12.708 0.973 -1.861
60 HG3 GLN 9 HG1 GLN 9 -13.389 0.987 -3.485
61 HE21 GLN 9 HE21 GLN 9 -15.511 0.365 -3.795
62 HE22 GLN 9 HE22 GLN 9 -16.633 0.219 -2.486
63 H LYS 10 HN LYS 10 -10.651 -1.786 -0.978
64 HA LYS 10 HA LYS 10 -8.937 0.479 -0.245
65 HB2 LYS 10 HB2 LYS 10 -11.149 -0.635 1.489
66 HB3 LYS 10 HB1 LYS 10 -9.934 0.516 2.030
67 HG2 LYS 10 HG2 LYS 10 -10.748 2.057 0.220
68 HG3 LYS 10 HG1 LYS 10 -12.081 0.932 -0.026
69 HD2 LYS 10 HD2 LYS 10 -12.806 1.254 2.274
70 HD3 LYS 10 HD1 LYS 10 -11.441 2.338 2.564
71 HE2 LYS 10 HE2 LYS 10 -13.663 2.792 0.572
72 HE3 LYS 10 HE1 LYS 10 -13.517 3.576 2.144
73 HZ1 LYS 10 HZ1 LYS 10 -12.716 4.960 0.294
74 HZ2 LYS 10 HZ2 LYS 10 -11.520 3.814 -0.048
75 HZ3 LYS 10 HZ3 LYS 10 -11.502 4.642 1.424
76 H SER 11 HN SER 11 -8.352 -2.191 -1.104
77 HA SER 11 HA SER 11 -6.737 -2.976 1.211
78 HB2 SER 11 HB2 SER 11 -6.956 -5.367 0.154
79 HB3 SER 11 HB1 SER 11 -8.239 -4.753 1.197
80 HG SER 11 HG SER 11 -8.503 -5.621 -1.241
81 H TYR 12 HN TYR 12 -5.034 -1.796 0.395
82 HA TYR 12 HA TYR 12 -4.087 -2.416 -2.313
83 HB2 TYR 12 HB2 TYR 12 -3.022 -0.332 -0.395
84 HB3 TYR 12 HB1 TYR 12 -2.697 -0.455 -2.119
85 HD1 TYR 12 HD1 TYR 12 -4.468 0.108 -3.750
86 HD2 TYR 12 HD2 TYR 12 -4.993 0.756 0.420
87 HE1 TYR 12 HE1 TYR 12 -6.344 1.611 -4.230
88 HE2 TYR 12 HE2 TYR 12 -6.877 2.265 -0.051
89 HH TYR 12 HH TYR 12 -7.689 3.679 -1.910
90 H VAL 13 HN VAL 13 -2.463 -3.822 -2.587
91 HA VAL 13 HA VAL 13 -0.920 -4.593 -0.202
92 HB VAL 13 HB VAL 13 -1.263 -6.205 -2.728
93 HG11 VAL 13 HG11 VAL 13 -0.515 -8.073 -1.322
94 HG12 VAL 13 HG12 VAL 13 -0.293 -6.956 0.025
95 HG13 VAL 13 HG13 VAL 13 0.695 -6.795 -1.427
96 HG21 VAL 13 HG21 VAL 13 -2.900 -7.553 -1.484
97 HG22 VAL 13 HG22 VAL 13 -3.445 -5.894 -1.725
98 HG23 VAL 13 HG23 VAL 13 -2.820 -6.397 -0.158
99 H CYS 14 HN CYS 14 1.152 -3.983 -0.152
100 HA CYS 14 HA CYS 14 2.541 -3.008 -2.457
101 HB2 CYS 14 HB2 CYS 14 3.194 -2.138 -0.313
102 HB3 CYS 14 HB1 CYS 14 3.480 -3.753 0.320
103 HA PRO 15 HA PRO 15 3.400 -7.097 -4.058
104 HB2 PRO 15 HB2 PRO 15 5.317 -5.630 -5.765
105 HB3 PRO 15 HB1 PRO 15 3.970 -6.671 -6.229
106 HG2 PRO 15 HG2 PRO 15 3.843 -4.016 -6.526
107 HG3 PRO 15 HG1 PRO 15 2.421 -4.966 -6.060
108 HD2 PRO 15 HD2 PRO 15 4.197 -3.258 -4.368
109 HD3 PRO 15 HD1 PRO 15 2.434 -3.465 -4.306
110 H ASN 16 HN ASN 16 5.658 -4.869 -2.726
111 HA ASN 16 HA ASN 16 7.889 -6.715 -2.921
112 HB2 ASN 16 HB2 ASN 16 8.179 -4.276 -3.322
113 HB3 ASN 16 HB1 ASN 16 7.773 -3.983 -1.638
114 HD21 ASN 16 HD21 ASN 16 9.713 -6.682 -2.786
115 HD22 ASN 16 HD22 ASN 16 11.191 -6.154 -2.061
116 H CYS 17 HN CYS 17 5.532 -5.707 -0.550
117 HA CYS 17 HA CYS 17 7.107 -7.115 1.510
118 HB2 CYS 17 HB2 CYS 17 5.249 -4.796 2.023
119 HB3 CYS 17 HB1 CYS 17 6.328 -5.574 3.177
120 H GLY 18 HN GLY 18 4.077 -6.914 -0.086
121 HA2 GLY 18 HA2 GLY 18 2.167 -8.195 0.177
122 HA3 GLY 18 HA1 GLY 18 2.956 -9.030 1.511
123 H LYS 19 HN LYS 19 3.023 -5.660 1.698
124 HA LYS 19 HA LYS 19 1.505 -5.660 4.131
125 HB2 LYS 19 HB2 LYS 19 3.616 -4.255 3.385
126 HB3 LYS 19 HB1 LYS 19 2.401 -3.162 2.743
127 HG2 LYS 19 HG2 LYS 19 2.930 -2.348 4.877
128 HG3 LYS 19 HG1 LYS 19 1.375 -3.165 5.058
129 HD2 LYS 19 HD2 LYS 19 2.527 -5.154 5.901
130 HD3 LYS 19 HD1 LYS 19 4.075 -4.332 5.728
131 HE2 LYS 19 HE2 LYS 19 3.335 -4.256 8.032
132 HE3 LYS 19 HE1 LYS 19 3.344 -2.637 7.340
133 HZ1 LYS 19 HZ1 LYS 19 0.976 -2.740 7.074
134 HZ2 LYS 19 HZ2 LYS 19 1.362 -3.097 8.677
135 HZ3 LYS 19 HZ3 LYS 19 0.929 -4.341 7.616
136 H ILE 20 HN ILE 20 -0.566 -4.909 4.447
137 HA ILE 20 HA ILE 20 -1.989 -4.040 2.022
138 HB ILE 20 HB ILE 20 -4.069 -4.752 3.059
139 HG12 ILE 20 HG12 ILE 20 -2.440 -5.901 5.328
140 HG13 ILE 20 HG11 ILE 20 -3.271 -4.352 5.439
141 HG21 ILE 20 HG21 ILE 20 -3.673 -7.174 3.040
142 HG22 ILE 20 HG22 ILE 20 -1.937 -6.879 3.123
143 HG23 ILE 20 HG23 ILE 20 -2.852 -6.354 1.714
144 HD11 ILE 20 HD11 ILE 20 -5.398 -5.485 5.003
145 HD12 ILE 20 HD12 ILE 20 -4.593 -6.100 6.449
146 HD13 ILE 20 HD13 ILE 20 -4.549 -7.030 4.951
147 H PHE 21 HN PHE 21 -2.813 -2.091 1.890
148 HA PHE 21 HA PHE 21 -3.014 -0.453 4.321
149 HB2 PHE 21 HB2 PHE 21 -2.213 0.348 1.522
150 HB3 PHE 21 HB1 PHE 21 -2.634 1.509 2.777
151 HD1 PHE 21 HD1 PHE 21 -0.207 -1.054 1.754
152 HD2 PHE 21 HD2 PHE 21 -1.126 2.030 4.530
153 HE1 PHE 21 HE1 PHE 21 2.108 -1.101 2.569
154 HE2 PHE 21 HE2 PHE 21 1.188 1.986 5.356
155 HZ PHE 21 HZ PHE 21 2.808 0.417 4.374
156 H ARG 22 HN ARG 22 -4.775 0.963 4.451
157 HA ARG 22 HA ARG 22 -7.074 0.105 2.873
158 HB2 ARG 22 HB2 ARG 22 -7.041 0.277 5.444
159 HB3 ARG 22 HB1 ARG 22 -7.142 2.014 5.195
160 HG2 ARG 22 HG2 ARG 22 -9.193 1.637 3.848
161 HG3 ARG 22 HG1 ARG 22 -9.114 -0.063 4.306
162 HD2 ARG 22 HD2 ARG 22 -9.299 0.547 6.657
163 HD3 ARG 22 HD1 ARG 22 -9.319 2.255 6.226
164 HE ARG 22 HE ARG 22 -11.409 0.584 5.081
165 HH11 ARG 22 HH11 ARG 22 -10.466 2.872 7.559
166 HH12 ARG 22 HH12 ARG 22 -12.095 3.337 7.929
167 HH21 ARG 22 HH21 ARG 22 -13.561 1.196 5.562
168 HH22 ARG 22 HH22 ARG 22 -13.854 2.378 6.800
169 H TRP 23 HN TRP 23 -4.903 2.731 3.244
170 HA TRP 23 HA TRP 23 -6.597 4.420 1.520
171 HB2 TRP 23 HB2 TRP 23 -4.457 5.444 3.390
172 HB3 TRP 23 HB1 TRP 23 -5.703 6.371 2.560
173 HD1 TRP 23 HD1 TRP 23 -4.944 4.999 5.845
174 HE1 TRP 23 HE1 TRP 23 -7.046 4.896 7.334
175 HE3 TRP 23 HE3 TRP 23 -8.511 5.705 2.256
176 HZ2 TRP 23 HZ2 TRP 23 -9.849 5.088 7.012
177 HZ3 TRP 23 HZ3 TRP 23 -10.877 5.726 2.935
178 HH2 TRP 23 HH2 TRP 23 -11.528 5.423 5.261
179 H ARG 24 HN ARG 24 -5.631 5.447 -0.199
180 HA ARG 24 HA ARG 24 -3.464 4.022 -1.377
181 HB2 ARG 24 HB2 ARG 24 -5.405 4.969 -2.631
182 HB3 ARG 24 HB1 ARG 24 -4.761 6.577 -2.331
183 HG2 ARG 24 HG2 ARG 24 -2.637 5.734 -3.481
184 HG3 ARG 24 HG1 ARG 24 -3.636 4.395 -4.048
185 HD2 ARG 24 HD2 ARG 24 -4.073 7.332 -4.551
186 HD3 ARG 24 HD1 ARG 24 -3.586 6.117 -5.729
187 HE ARG 24 HE ARG 24 -5.948 5.163 -4.854
188 HH11 ARG 24 HH11 ARG 24 -4.943 8.296 -6.048
189 HH12 ARG 24 HH12 ARG 24 -6.509 8.704 -6.675
190 HH21 ARG 24 HH21 ARG 24 -8.001 5.676 -5.699
191 HH22 ARG 24 HH22 ARG 24 -8.251 7.203 -6.482
192 H VAL 25 HN VAL 25 -3.771 7.125 0.249
193 HA VAL 25 HA VAL 25 -1.463 8.331 -0.816
194 HB VAL 25 HB VAL 25 -1.558 9.842 1.197
195 HG11 VAL 25 HG11 VAL 25 -3.650 10.907 0.497
196 HG12 VAL 25 HG12 VAL 25 -4.096 9.442 -0.378
197 HG13 VAL 25 HG13 VAL 25 -2.690 10.378 -0.884
198 HG21 VAL 25 HG21 VAL 25 -3.983 8.166 1.853
199 HG22 VAL 25 HG22 VAL 25 -3.565 9.698 2.619
200 HG23 VAL 25 HG23 VAL 25 -2.512 8.298 2.816
201 H ASN 26 HN ASN 26 -1.888 6.612 2.280
202 HA ASN 26 HA ASN 26 0.885 6.774 2.923
203 HB2 ASN 26 HB2 ASN 26 0.189 4.852 4.560
204 HB3 ASN 26 HB1 ASN 26 -0.387 6.490 4.838
205 HD21 ASN 26 HD21 ASN 26 -1.268 3.411 3.384
206 HD22 ASN 26 HD22 ASN 26 -2.963 3.570 3.668
207 H PHE 27 HN PHE 27 -1.129 4.477 1.227
208 HA PHE 27 HA PHE 27 0.650 2.330 1.000
209 HB2 PHE 27 HB2 PHE 27 -1.683 2.226 0.247
210 HB3 PHE 27 HB1 PHE 27 -1.320 3.361 -1.051
211 HD1 PHE 27 HD1 PHE 27 -0.024 0.114 0.276
212 HD2 PHE 27 HD2 PHE 27 -0.969 2.499 -3.113
213 HE1 PHE 27 HE1 PHE 27 0.581 -1.754 -1.204
214 HE2 PHE 27 HE2 PHE 27 -0.363 0.642 -4.598
215 HZ PHE 27 HZ PHE 27 0.485 -1.507 -3.576
216 H ILE 28 HN ILE 28 0.244 5.145 -1.159
217 HA ILE 28 HA ILE 28 2.373 4.449 -2.882
218 HB ILE 28 HB ILE 28 1.174 7.173 -2.338
219 HG12 ILE 28 HG12 ILE 28 -0.469 5.572 -3.172
220 HG13 ILE 28 HG11 ILE 28 -0.098 6.766 -4.410
221 HG21 ILE 28 HG21 ILE 28 3.371 7.392 -3.345
222 HG22 ILE 28 HG22 ILE 28 2.117 7.822 -4.506
223 HG23 ILE 28 HG23 ILE 28 2.922 6.258 -4.618
224 HD11 ILE 28 HD11 ILE 28 0.933 3.943 -4.278
225 HD12 ILE 28 HD12 ILE 28 1.397 5.135 -5.489
226 HD13 ILE 28 HD13 ILE 28 -0.273 4.578 -5.395
227 H ARG 29 HN ARG 29 2.191 6.335 0.066
228 HA ARG 29 HA ARG 29 4.776 7.414 0.075
229 HB2 ARG 29 HB2 ARG 29 2.816 7.949 1.605
230 HB3 ARG 29 HB1 ARG 29 3.236 6.499 2.503
231 HG2 ARG 29 HG2 ARG 29 5.375 7.415 3.091
232 HG3 ARG 29 HG1 ARG 29 5.093 8.823 2.061
233 HD2 ARG 29 HD2 ARG 29 3.480 8.055 4.489
234 HD3 ARG 29 HD1 ARG 29 4.680 9.343 4.415
235 HE ARG 29 HE ARG 29 3.133 10.288 2.607
236 HH11 ARG 29 HH11 ARG 29 2.004 8.428 5.355
237 HH12 ARG 29 HH12 ARG 29 0.465 9.226 5.422
238 HH21 ARG 29 HH21 ARG 29 1.094 11.326 2.684
239 HH22 ARG 29 HH22 ARG 29 -0.058 10.862 3.895
240 H HIS 30 HN HIS 30 3.519 4.343 1.291
241 HA HIS 30 HA HIS 30 5.994 3.356 2.273
242 HB2 HIS 30 HB2 HIS 30 3.991 2.424 3.156
243 HB3 HIS 30 HB1 HIS 30 3.371 2.052 1.555
244 HD1 HIS 30 HD1 HIS 30 6.365 0.935 3.690
245 HD2 HIS 30 HD2 HIS 30 3.584 -0.514 0.960
246 HE1 HIS 30 HE1 HIS 30 6.784 -1.561 3.483
247 H LEU 31 HN LEU 31 4.367 3.181 -0.843
248 HA LEU 31 HA LEU 31 6.201 1.323 -1.988
249 HB2 LEU 31 HB2 LEU 31 4.030 3.068 -2.991
250 HB3 LEU 31 HB1 LEU 31 5.250 2.595 -4.157
251 HG LEU 31 HG LEU 31 3.243 1.119 -4.142
252 HD11 LEU 31 HD11 LEU 31 5.838 -0.196 -3.352
253 HD12 LEU 31 HD12 LEU 31 5.372 0.299 -4.979
254 HD13 LEU 31 HD13 LEU 31 4.484 -0.987 -4.159
255 HD21 LEU 31 HD21 LEU 31 2.754 1.180 -1.753
256 HD22 LEU 31 HD22 LEU 31 4.255 0.320 -1.414
257 HD23 LEU 31 HD23 LEU 31 2.964 -0.478 -2.312
258 H ARG 32 HN ARG 32 6.141 4.790 -1.620
259 HA ARG 32 HA ARG 32 8.288 5.334 -3.410
260 HB2 ARG 32 HB2 ARG 32 7.017 6.898 -1.180
261 HB3 ARG 32 HB1 ARG 32 8.411 7.506 -2.058
262 HG2 ARG 32 HG2 ARG 32 7.125 7.339 -4.155
263 HG3 ARG 32 HG1 ARG 32 5.719 6.828 -3.216
264 HD2 ARG 32 HD2 ARG 32 5.673 9.233 -3.746
265 HD3 ARG 32 HD1 ARG 32 5.718 8.926 -2.011
266 HE ARG 32 HE ARG 32 8.347 9.243 -2.857
267 HH11 ARG 32 HH11 ARG 32 5.429 11.165 -2.688
268 HH12 ARG 32 HH12 ARG 32 6.278 12.662 -2.472
269 HH21 ARG 32 HH21 ARG 32 9.468 11.204 -2.560
270 HH22 ARG 32 HH22 ARG 32 8.578 12.686 -2.398
271 H SER 33 HN SER 33 8.180 3.924 -0.332
272 HA SER 33 HA SER 33 10.609 4.804 0.764
273 HB2 SER 33 HB2 SER 33 9.332 2.076 1.058
274 HB3 SER 33 HB1 SER 33 10.522 2.795 2.142
275 HG SER 33 HG SER 33 8.544 4.530 1.912
276 H ARG 34 HN ARG 34 9.847 2.398 -1.663
277 HA ARG 34 HA ARG 34 12.702 1.777 -1.897
278 HB2 ARG 34 HB2 ARG 34 11.917 -0.129 -3.361
279 HB3 ARG 34 HB1 ARG 34 11.506 -0.245 -1.659
280 HG2 ARG 34 HG2 ARG 34 9.242 0.278 -2.067
281 HG3 ARG 34 HG1 ARG 34 9.585 0.807 -3.715
282 HD2 ARG 34 HD2 ARG 34 9.992 -2.011 -2.730
283 HD3 ARG 34 HD1 ARG 34 8.527 -1.455 -3.536
284 HE ARG 34 HE ARG 34 9.967 -0.946 -5.484
285 HH11 ARG 34 HH11 ARG 34 11.136 -3.226 -3.092
286 HH12 ARG 34 HH12 ARG 34 12.132 -4.084 -4.222
287 HH21 ARG 34 HH21 ARG 34 11.271 -2.081 -6.974
288 HH22 ARG 34 HH22 ARG 34 12.200 -3.448 -6.429
289 H ARG 35 HN ARG 35 13.260 3.672 -2.985
290 HA ARG 35 HA ARG 35 12.083 4.211 -5.574
291 HB2 ARG 35 HB2 ARG 35 12.881 6.049 -4.097
292 HB3 ARG 35 HB1 ARG 35 14.521 5.443 -4.259
293 HG2 ARG 35 HG2 ARG 35 14.052 7.398 -5.689
294 HG3 ARG 35 HG1 ARG 35 14.551 5.974 -6.601
295 HD2 ARG 35 HD2 ARG 35 12.715 7.085 -7.725
296 HD3 ARG 35 HD1 ARG 35 12.199 5.509 -7.135
297 HE ARG 35 HE ARG 35 11.616 7.642 -5.305
298 HH11 ARG 35 HH11 ARG 35 10.493 5.956 -8.163
299 HH12 ARG 35 HH12 ARG 35 8.828 6.371 -7.912
300 HH21 ARG 35 HH21 ARG 35 9.410 8.216 -4.991
301 HH22 ARG 35 HH22 ARG 35 8.213 7.660 -6.122
302 H GLU 36 HN GLU 36 13.062 1.639 -5.271
303 HA GLU 36 HA GLU 36 15.618 1.329 -6.537
304 HB2 GLU 36 HB2 GLU 36 13.386 -0.684 -6.191
305 HB3 GLU 36 HB1 GLU 36 15.066 -1.044 -6.559
306 HG2 GLU 36 HG2 GLU 36 14.122 0.257 -4.017
307 HG3 GLU 36 HG1 GLU 36 14.433 -1.468 -4.207
308 H GLN 37 HN GLN 37 12.450 1.961 -7.517
309 HA GLN 37 HA GLN 37 12.361 0.669 -10.023
310 HB2 GLN 37 HB2 GLN 37 10.952 3.249 -9.375
311 HB3 GLN 37 HB1 GLN 37 10.436 1.983 -10.474
312 HG2 GLN 37 HG2 GLN 37 10.509 1.835 -7.469
313 HG3 GLN 37 HG1 GLN 37 9.078 1.956 -8.490
314 HE21 GLN 37 HE21 GLN 37 8.419 0.156 -9.682
315 HE22 GLN 37 HE22 GLN 37 8.973 -1.438 -9.303
316 H LYS 38 HN LYS 38 12.580 1.599 -12.110
317 HA LYS 38 HA LYS 38 14.774 3.469 -12.305
318 HB2 LYS 38 HB2 LYS 38 13.141 2.141 -14.479
319 HB3 LYS 38 HB1 LYS 38 14.612 3.066 -14.726
320 HG2 LYS 38 HG2 LYS 38 15.858 1.414 -13.405
321 HG3 LYS 38 HG1 LYS 38 14.378 0.472 -13.219
322 HD2 LYS 38 HD2 LYS 38 15.687 -0.472 -15.007
323 HD3 LYS 38 HD1 LYS 38 14.243 0.279 -15.687
324 HE2 LYS 38 HE2 LYS 38 15.594 2.284 -16.228
325 HE3 LYS 38 HE1 LYS 38 17.025 1.445 -15.635
326 HZ1 LYS 38 HZ1 LYS 38 15.327 0.604 -17.922
327 HZ2 LYS 38 HZ2 LYS 38 16.670 -0.244 -17.342
328 HZ3 LYS 38 HZ3 LYS 38 16.870 1.289 -18.023
329 HA PRO 39 HA PRO 39 12.085 6.955 -12.573
330 HB2 PRO 39 HB2 PRO 39 13.845 8.820 -13.363
331 HB3 PRO 39 HB1 PRO 39 13.890 8.119 -11.740
332 HG2 PRO 39 HG2 PRO 39 15.560 7.457 -14.136
333 HG3 PRO 39 HG1 PRO 39 16.060 7.652 -12.445
334 HD2 PRO 39 HD2 PRO 39 15.642 5.223 -13.617
335 HD3 PRO 39 HD1 PRO 39 15.417 5.521 -11.882
336 H HIS 40 HN HIS 40 11.399 5.464 -14.635
337 HA HIS 40 HA HIS 40 11.957 6.643 -17.183
338 HB2 HIS 40 HB2 HIS 40 11.212 4.262 -16.827
339 HB3 HIS 40 HB1 HIS 40 9.615 4.881 -16.426
340 HD1 HIS 40 HD1 HIS 40 8.050 4.829 -18.330
341 HD2 HIS 40 HD2 HIS 40 11.988 5.261 -19.588
342 HE1 HIS 40 HE1 HIS 40 7.962 4.814 -20.843
343 HE2 HIS 40 HE2 HIS 40 10.370 4.926 -21.578
344 H LYS 41 HN LYS 41 9.936 7.375 -14.568
345 HA LYS 41 HA LYS 41 9.043 9.775 -15.864
346 HB2 LYS 41 HB2 LYS 41 7.273 8.207 -16.554
347 HB3 LYS 41 HB1 LYS 41 6.999 7.776 -14.874
348 HG2 LYS 41 HG2 LYS 41 5.326 9.354 -15.784
349 HG3 LYS 41 HG1 LYS 41 6.184 9.971 -14.371
350 HD2 LYS 41 HD2 LYS 41 5.936 11.693 -16.094
351 HD3 LYS 41 HD1 LYS 41 7.631 11.302 -15.812
352 HE2 LYS 41 HE2 LYS 41 7.599 9.840 -17.792
353 HE3 LYS 41 HE1 LYS 41 5.922 10.294 -18.083
354 HZ1 LYS 41 HZ1 LYS 41 8.243 12.141 -18.089
355 HZ2 LYS 41 HZ2 LYS 41 6.637 12.589 -18.354
356 HZ3 LYS 41 HZ3 LYS 41 7.427 11.577 -19.457
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 -3.359 -10.710 10.949
2 H2 GLY 1 HT2 GLY 1 -2.515 -9.474 11.731
3 H3 GLY 1 HT3 GLY 1 -2.038 -9.978 10.190
4 HA2 GLY 1 HA1 GLY 1 -3.221 -7.885 10.071
5 HA3 GLY 1 HA2 GLY 1 -4.086 -9.168 9.239
6 H ALA 2 HN ALA 2 -4.806 -6.580 10.773
7 HA ALA 2 HA ALA 2 -7.084 -7.792 12.174
8 HB1 ALA 2 HB1 ALA 2 -5.449 -7.186 13.876
9 HB2 ALA 2 HB2 ALA 2 -6.888 -6.173 13.989
10 HB3 ALA 2 HB3 ALA 2 -5.415 -5.534 13.263
11 H MET 3 HN MET 3 -6.676 -6.516 9.551
12 HA MET 3 HA MET 3 -8.202 -4.035 9.795
13 HB2 MET 3 HB2 MET 3 -6.841 -5.392 7.466
14 HB3 MET 3 HB1 MET 3 -7.872 -3.984 7.270
15 HG2 MET 3 HG2 MET 3 -6.392 -2.706 8.744
16 HG3 MET 3 HG1 MET 3 -5.352 -4.119 8.908
17 HE1 MET 3 HE1 MET 3 -4.402 -1.197 7.975
18 HE2 MET 3 HE2 MET 3 -3.290 -1.611 6.671
19 HE3 MET 3 HE3 MET 3 -3.291 -2.554 8.160
20 H GLU 4 HN GLU 4 -9.935 -5.522 10.695
21 HA GLU 4 HA GLU 4 -11.273 -7.166 8.699
22 HB2 GLU 4 HB2 GLU 4 -11.867 -6.807 11.640
23 HB3 GLU 4 HB1 GLU 4 -12.601 -8.000 10.578
24 HG2 GLU 4 HG2 GLU 4 -9.701 -7.847 11.368
25 HG3 GLU 4 HG1 GLU 4 -10.887 -9.026 11.929
26 H VAL 5 HN VAL 5 -11.297 -4.125 8.848
27 HA VAL 5 HA VAL 5 -14.018 -3.397 9.336
28 HB VAL 5 HB VAL 5 -11.943 -1.938 7.686
29 HG11 VAL 5 HG11 VAL 5 -14.483 -0.961 8.980
30 HG12 VAL 5 HG12 VAL 5 -14.197 -1.154 7.250
31 HG13 VAL 5 HG13 VAL 5 -13.294 0.054 8.165
32 HG21 VAL 5 HG21 VAL 5 -11.501 -0.629 9.706
33 HG22 VAL 5 HG22 VAL 5 -11.131 -2.337 9.947
34 HG23 VAL 5 HG23 VAL 5 -12.616 -1.655 10.612
35 H GLN 6 HN GLN 6 -15.720 -3.567 7.992
36 HA GLN 6 HA GLN 6 -15.431 -5.030 5.563
37 HB2 GLN 6 HB2 GLN 6 -17.407 -5.223 7.058
38 HB3 GLN 6 HB1 GLN 6 -17.867 -3.585 6.617
39 HG2 GLN 6 HG2 GLN 6 -19.176 -5.145 5.353
40 HG3 GLN 6 HG1 GLN 6 -18.073 -4.301 4.270
41 HE21 GLN 6 HE21 GLN 6 -19.412 -6.840 3.903
42 HE22 GLN 6 HE22 GLN 6 -18.169 -8.013 3.646
43 H THR 7 HN THR 7 -14.409 -4.029 3.949
44 HA THR 7 HA THR 7 -15.725 -1.925 2.555
45 HB THR 7 HB THR 7 -14.628 -0.534 4.243
46 HG1 THR 7 HG1 THR 7 -14.690 0.519 2.328
47 HG21 THR 7 HG21 THR 7 -12.206 -0.429 4.452
48 HG22 THR 7 HG22 THR 7 -12.028 -1.708 3.252
49 HG23 THR 7 HG23 THR 7 -12.779 -2.059 4.808
50 H SER 8 HN SER 8 -14.954 -1.710 0.450
51 HA SER 8 HA SER 8 -13.148 -3.862 -0.373
52 HB2 SER 8 HB2 SER 8 -15.480 -3.716 -1.330
53 HB3 SER 8 HB1 SER 8 -14.996 -2.214 -2.113
54 HG SER 8 HG SER 8 -13.563 -3.317 -3.368
55 H GLN 9 HN GLN 9 -12.806 -0.814 0.511
56 HA GLN 9 HA GLN 9 -11.306 0.248 -1.709
57 HB2 GLN 9 HB2 GLN 9 -12.569 1.665 -0.064
58 HB3 GLN 9 HB1 GLN 9 -11.375 1.227 1.147
59 HG2 GLN 9 HG2 GLN 9 -9.623 2.227 -0.300
60 HG3 GLN 9 HG1 GLN 9 -10.899 2.775 -1.385
61 HE21 GLN 9 HE21 GLN 9 -9.357 3.209 1.683
62 HE22 GLN 9 HE22 GLN 9 -10.130 4.706 2.087
63 H LYS 10 HN LYS 10 -10.667 -1.605 1.137
64 HA LYS 10 HA LYS 10 -7.860 -1.047 1.277
65 HB2 LYS 10 HB2 LYS 10 -7.838 -2.841 2.967
66 HB3 LYS 10 HB1 LYS 10 -9.078 -1.637 3.281
67 HG2 LYS 10 HG2 LYS 10 -10.769 -3.132 2.336
68 HG3 LYS 10 HG1 LYS 10 -9.523 -4.338 2.021
69 HD2 LYS 10 HD2 LYS 10 -9.055 -4.409 4.461
70 HD3 LYS 10 HD1 LYS 10 -10.419 -3.315 4.711
71 HE2 LYS 10 HE2 LYS 10 -11.887 -4.966 3.593
72 HE3 LYS 10 HE1 LYS 10 -10.519 -6.070 3.488
73 HZ1 LYS 10 HZ1 LYS 10 -11.806 -5.053 5.959
74 HZ2 LYS 10 HZ2 LYS 10 -10.386 -5.978 5.942
75 HZ3 LYS 10 HZ3 LYS 10 -11.838 -6.641 5.374
76 H SER 11 HN SER 11 -7.827 -1.566 -1.160
77 HA SER 11 HA SER 11 -7.293 -4.432 -1.540
78 HB2 SER 11 HB2 SER 11 -9.297 -3.442 -2.737
79 HB3 SER 11 HB1 SER 11 -8.155 -2.507 -3.695
80 HG SER 11 HG SER 11 -8.913 -5.070 -3.984
81 H TYR 12 HN TYR 12 -5.444 -2.293 -0.686
82 HA TYR 12 HA TYR 12 -3.648 -2.254 -3.023
83 HB2 TYR 12 HB2 TYR 12 -3.235 -0.565 -0.576
84 HB3 TYR 12 HB1 TYR 12 -2.707 -0.267 -2.228
85 HD1 TYR 12 HD1 TYR 12 -4.942 0.732 0.223
86 HD2 TYR 12 HD2 TYR 12 -4.771 -0.051 -3.952
87 HE1 TYR 12 HE1 TYR 12 -6.923 2.139 -0.111
88 HE2 TYR 12 HE2 TYR 12 -6.749 1.363 -4.302
89 HH TYR 12 HH TYR 12 -8.749 2.116 -2.867
90 H VAL 13 HN VAL 13 -2.352 -3.973 -2.916
91 HA VAL 13 HA VAL 13 -1.068 -4.599 -0.341
92 HB VAL 13 HB VAL 13 -1.403 -6.435 -2.719
93 HG11 VAL 13 HG11 VAL 13 -0.655 -8.191 -1.176
94 HG12 VAL 13 HG12 VAL 13 -0.390 -6.973 0.071
95 HG13 VAL 13 HG13 VAL 13 0.577 -6.949 -1.404
96 HG21 VAL 13 HG21 VAL 13 -3.039 -7.632 -1.333
97 HG22 VAL 13 HG22 VAL 13 -3.555 -5.982 -1.685
98 HG23 VAL 13 HG23 VAL 13 -2.896 -6.379 -0.098
99 H CYS 14 HN CYS 14 1.053 -4.118 -0.193
100 HA CYS 14 HA CYS 14 2.629 -3.531 -2.532
101 HB2 CYS 14 HB2 CYS 14 3.162 -2.352 -0.488
102 HB3 CYS 14 HB1 CYS 14 3.374 -3.866 0.381
103 HA PRO 15 HA PRO 15 3.233 -7.857 -3.321
104 HB2 PRO 15 HB2 PRO 15 4.990 -7.600 -5.385
105 HB3 PRO 15 HB1 PRO 15 3.252 -7.330 -5.553
106 HG2 PRO 15 HG2 PRO 15 5.454 -5.334 -5.207
107 HG3 PRO 15 HG1 PRO 15 4.050 -5.274 -6.287
108 HD2 PRO 15 HD2 PRO 15 4.141 -3.913 -3.957
109 HD3 PRO 15 HD1 PRO 15 2.632 -4.579 -4.609
110 H ASN 16 HN ASN 16 5.703 -5.641 -2.445
111 HA ASN 16 HA ASN 16 7.768 -7.680 -2.330
112 HB2 ASN 16 HB2 ASN 16 8.422 -5.526 -3.176
113 HB3 ASN 16 HB1 ASN 16 7.793 -4.723 -1.747
114 HD21 ASN 16 HD21 ASN 16 10.352 -6.687 -3.033
115 HD22 ASN 16 HD22 ASN 16 11.461 -6.446 -1.731
116 H CYS 17 HN CYS 17 5.833 -5.723 -0.102
117 HA CYS 17 HA CYS 17 7.247 -6.954 2.152
118 HB2 CYS 17 HB2 CYS 17 5.211 -4.726 2.215
119 HB3 CYS 17 HB1 CYS 17 6.229 -5.258 3.546
120 H GLY 18 HN GLY 18 4.311 -7.193 0.423
121 HA2 GLY 18 HA2 GLY 18 2.460 -8.533 0.764
122 HA3 GLY 18 HA1 GLY 18 3.232 -9.158 2.216
123 H LYS 19 HN LYS 19 3.046 -5.775 1.952
124 HA LYS 19 HA LYS 19 1.331 -5.684 4.282
125 HB2 LYS 19 HB2 LYS 19 3.453 -4.336 4.073
126 HB3 LYS 19 HB1 LYS 19 2.654 -3.388 2.830
127 HG2 LYS 19 HG2 LYS 19 2.436 -2.129 4.783
128 HG3 LYS 19 HG1 LYS 19 0.865 -2.901 4.567
129 HD2 LYS 19 HD2 LYS 19 1.701 -4.709 6.132
130 HD3 LYS 19 HD1 LYS 19 3.053 -3.641 6.491
131 HE2 LYS 19 HE2 LYS 19 1.363 -3.337 8.170
132 HE3 LYS 19 HE1 LYS 19 1.441 -1.890 7.169
133 HZ1 LYS 19 HZ1 LYS 19 -0.491 -2.745 5.927
134 HZ2 LYS 19 HZ2 LYS 19 -0.833 -2.468 7.557
135 HZ3 LYS 19 HZ3 LYS 19 -0.592 -4.049 7.004
136 H ILE 20 HN ILE 20 -0.767 -5.151 4.252
137 HA ILE 20 HA ILE 20 -1.887 -4.090 1.759
138 HB ILE 20 HB ILE 20 -2.820 -6.229 2.678
139 HG12 ILE 20 HG12 ILE 20 -4.102 -4.485 1.246
140 HG13 ILE 20 HG11 ILE 20 -5.002 -5.787 2.009
141 HG21 ILE 20 HG21 ILE 20 -2.672 -5.749 5.042
142 HG22 ILE 20 HG22 ILE 20 -4.333 -6.137 4.599
143 HG23 ILE 20 HG23 ILE 20 -3.865 -4.460 4.878
144 HD11 ILE 20 HD11 ILE 20 -6.164 -3.661 2.181
145 HD12 ILE 20 HD12 ILE 20 -4.783 -2.965 3.031
146 HD13 ILE 20 HD13 ILE 20 -5.711 -4.269 3.775
147 H PHE 21 HN PHE 21 -2.853 -2.133 1.692
148 HA PHE 21 HA PHE 21 -2.947 -0.584 4.181
149 HB2 PHE 21 HB2 PHE 21 -2.029 0.221 1.437
150 HB3 PHE 21 HB1 PHE 21 -2.599 1.420 2.592
151 HD1 PHE 21 HD1 PHE 21 0.054 -0.982 1.816
152 HD2 PHE 21 HD2 PHE 21 -1.327 1.962 4.557
153 HE1 PHE 21 HE1 PHE 21 2.279 -0.899 2.849
154 HE2 PHE 21 HE2 PHE 21 0.896 2.046 5.597
155 HZ PHE 21 HZ PHE 21 2.705 0.614 4.743
156 H ARG 22 HN ARG 22 -4.624 0.905 4.379
157 HA ARG 22 HA ARG 22 -6.998 0.127 2.875
158 HB2 ARG 22 HB2 ARG 22 -6.970 0.096 5.377
159 HB3 ARG 22 HB1 ARG 22 -6.790 1.847 5.346
160 HG2 ARG 22 HG2 ARG 22 -8.916 1.959 4.059
161 HG3 ARG 22 HG1 ARG 22 -9.099 0.227 4.340
162 HD2 ARG 22 HD2 ARG 22 -9.169 0.557 6.718
163 HD3 ARG 22 HD1 ARG 22 -8.774 2.266 6.538
164 HE ARG 22 HE ARG 22 -11.136 1.694 5.121
165 HH11 ARG 22 HH11 ARG 22 -9.961 1.989 8.403
166 HH12 ARG 22 HH12 ARG 22 -11.499 2.461 9.051
167 HH21 ARG 22 HH21 ARG 22 -13.163 2.341 5.960
168 HH22 ARG 22 HH22 ARG 22 -13.318 2.672 7.656
169 H TRP 23 HN TRP 23 -4.831 2.787 3.329
170 HA TRP 23 HA TRP 23 -6.581 4.502 1.682
171 HB2 TRP 23 HB2 TRP 23 -4.375 5.487 3.495
172 HB3 TRP 23 HB1 TRP 23 -5.647 6.433 2.731
173 HD1 TRP 23 HD1 TRP 23 -4.805 4.691 5.892
174 HE1 TRP 23 HE1 TRP 23 -6.837 4.679 7.478
175 HE3 TRP 23 HE3 TRP 23 -8.412 6.215 2.607
176 HZ2 TRP 23 HZ2 TRP 23 -9.603 5.242 7.344
177 HZ3 TRP 23 HZ3 TRP 23 -10.724 6.450 3.422
178 HH2 TRP 23 HH2 TRP 23 -11.304 5.973 5.738
179 H ARG 24 HN ARG 24 -5.653 5.639 -0.016
180 HA ARG 24 HA ARG 24 -3.491 4.312 -1.311
181 HB2 ARG 24 HB2 ARG 24 -4.954 6.846 -2.043
182 HB3 ARG 24 HB1 ARG 24 -3.792 6.029 -3.077
183 HG2 ARG 24 HG2 ARG 24 -5.243 4.045 -3.095
184 HG3 ARG 24 HG1 ARG 24 -6.420 4.924 -2.116
185 HD2 ARG 24 HD2 ARG 24 -5.461 5.703 -4.866
186 HD3 ARG 24 HD1 ARG 24 -7.020 4.977 -4.480
187 HE ARG 24 HE ARG 24 -6.614 7.374 -3.007
188 HH11 ARG 24 HH11 ARG 24 -7.447 6.188 -6.185
189 HH12 ARG 24 HH12 ARG 24 -8.347 7.602 -6.622
190 HH21 ARG 24 HH21 ARG 24 -7.793 9.250 -3.576
191 HH22 ARG 24 HH22 ARG 24 -8.541 9.345 -5.138
192 H VAL 25 HN VAL 25 -3.774 7.349 0.465
193 HA VAL 25 HA VAL 25 -1.473 8.581 -0.565
194 HB VAL 25 HB VAL 25 -1.503 9.990 1.516
195 HG11 VAL 25 HG11 VAL 25 -3.614 11.096 0.954
196 HG12 VAL 25 HG12 VAL 25 -4.107 9.679 0.029
197 HG13 VAL 25 HG13 VAL 25 -2.719 10.630 -0.492
198 HG21 VAL 25 HG21 VAL 25 -3.458 9.781 2.999
199 HG22 VAL 25 HG22 VAL 25 -2.393 8.378 3.094
200 HG23 VAL 25 HG23 VAL 25 -3.899 8.282 2.182
201 H ASN 26 HN ASN 26 -1.852 6.702 2.437
202 HA ASN 26 HA ASN 26 0.930 6.801 3.045
203 HB2 ASN 26 HB2 ASN 26 0.231 4.780 4.566
204 HB3 ASN 26 HB1 ASN 26 -0.305 6.408 4.961
205 HD21 ASN 26 HD21 ASN 26 -1.286 3.430 3.364
206 HD22 ASN 26 HD22 ASN 26 -2.971 3.620 3.682
207 H PHE 27 HN PHE 27 -1.134 4.607 1.273
208 HA PHE 27 HA PHE 27 0.629 2.449 0.978
209 HB2 PHE 27 HB2 PHE 27 -1.754 2.392 0.304
210 HB3 PHE 27 HB1 PHE 27 -1.381 3.468 -1.040
211 HD1 PHE 27 HD1 PHE 27 -0.306 0.232 0.417
212 HD2 PHE 27 HD2 PHE 27 -0.911 2.538 -3.099
213 HE1 PHE 27 HE1 PHE 27 0.272 -1.724 -0.952
214 HE2 PHE 27 HE2 PHE 27 -0.332 0.587 -4.482
215 HZ PHE 27 HZ PHE 27 0.264 -1.544 -3.399
216 H ILE 28 HN ILE 28 0.147 5.287 -1.130
217 HA ILE 28 HA ILE 28 2.188 4.602 -2.955
218 HB ILE 28 HB ILE 28 1.017 7.318 -2.332
219 HG12 ILE 28 HG12 ILE 28 -0.679 5.751 -3.072
220 HG13 ILE 28 HG11 ILE 28 -0.342 6.895 -4.365
221 HG21 ILE 28 HG21 ILE 28 3.167 7.527 -3.471
222 HG22 ILE 28 HG22 ILE 28 1.838 8.002 -4.527
223 HG23 ILE 28 HG23 ILE 28 2.610 6.430 -4.735
224 HD11 ILE 28 HD11 ILE 28 1.064 5.215 -5.466
225 HD12 ILE 28 HD12 ILE 28 -0.595 4.661 -5.246
226 HD13 ILE 28 HD13 ILE 28 0.678 4.069 -4.181
227 H ARG 29 HN ARG 29 2.185 6.369 0.061
228 HA ARG 29 HA ARG 29 4.804 7.403 -0.057
229 HB2 ARG 29 HB2 ARG 29 2.954 7.969 1.603
230 HB3 ARG 29 HB1 ARG 29 3.388 6.488 2.442
231 HG2 ARG 29 HG2 ARG 29 5.601 7.319 2.884
232 HG3 ARG 29 HG1 ARG 29 5.288 8.764 1.920
233 HD2 ARG 29 HD2 ARG 29 5.075 9.278 4.276
234 HD3 ARG 29 HD1 ARG 29 3.504 9.401 3.486
235 HE ARG 29 HE ARG 29 3.813 6.813 4.548
236 HH11 ARG 29 HH11 ARG 29 3.321 10.117 5.584
237 HH12 ARG 29 HH12 ARG 29 2.532 9.672 7.063
238 HH21 ARG 29 HH21 ARG 29 2.778 6.217 6.483
239 HH22 ARG 29 HH22 ARG 29 2.221 7.442 7.577
240 H HIS 30 HN HIS 30 3.523 4.410 1.329
241 HA HIS 30 HA HIS 30 6.004 3.310 2.114
242 HB2 HIS 30 HB2 HIS 30 4.023 2.479 3.129
243 HB3 HIS 30 HB1 HIS 30 3.273 2.149 1.576
244 HD1 HIS 30 HD1 HIS 30 6.010 0.759 3.840
245 HD2 HIS 30 HD2 HIS 30 3.575 -0.356 0.662
246 HE1 HIS 30 HE1 HIS 30 6.313 -1.741 3.540
247 H LEU 31 HN LEU 31 4.177 3.201 -0.882
248 HA LEU 31 HA LEU 31 5.740 1.165 -2.102
249 HB2 LEU 31 HB2 LEU 31 3.578 2.973 -2.930
250 HB3 LEU 31 HB1 LEU 31 4.661 2.475 -4.216
251 HG LEU 31 HG LEU 31 2.597 1.052 -3.922
252 HD11 LEU 31 HD11 LEU 31 4.551 0.245 -5.131
253 HD12 LEU 31 HD12 LEU 31 3.790 -1.059 -4.221
254 HD13 LEU 31 HD13 LEU 31 5.267 -0.312 -3.619
255 HD21 LEU 31 HD21 LEU 31 2.594 -0.589 -2.129
256 HD22 LEU 31 HD22 LEU 31 2.553 1.046 -1.470
257 HD23 LEU 31 HD23 LEU 31 4.056 0.125 -1.452
258 H ARG 32 HN ARG 32 6.179 4.599 -1.772
259 HA ARG 32 HA ARG 32 8.019 4.865 -3.933
260 HB2 ARG 32 HB2 ARG 32 6.857 6.797 -2.849
261 HB3 ARG 32 HB1 ARG 32 7.876 6.564 -1.436
262 HG2 ARG 32 HG2 ARG 32 9.865 6.974 -2.808
263 HG3 ARG 32 HG1 ARG 32 8.833 7.226 -4.214
264 HD2 ARG 32 HD2 ARG 32 8.726 8.865 -1.688
265 HD3 ARG 32 HD1 ARG 32 9.598 9.326 -3.148
266 HE ARG 32 HE ARG 32 6.839 8.753 -3.654
267 HH11 ARG 32 HH11 ARG 32 9.055 11.203 -2.513
268 HH12 ARG 32 HH12 ARG 32 8.022 12.525 -2.953
269 HH21 ARG 32 HH21 ARG 32 5.468 10.484 -4.225
270 HH22 ARG 32 HH22 ARG 32 5.980 12.116 -3.934
271 H SER 33 HN SER 33 8.199 3.422 -0.881
272 HA SER 33 HA SER 33 11.018 3.782 -0.453
273 HB2 SER 33 HB2 SER 33 9.256 3.466 1.356
274 HB3 SER 33 HB1 SER 33 9.200 1.769 0.884
275 HG SER 33 HG SER 33 11.651 3.029 1.548
276 H ARG 34 HN ARG 34 9.722 2.304 -2.892
277 HA ARG 34 HA ARG 34 10.702 -0.363 -2.755
278 HB2 ARG 34 HB2 ARG 34 9.719 1.380 -4.986
279 HB3 ARG 34 HB1 ARG 34 10.465 -0.173 -5.334
280 HG2 ARG 34 HG2 ARG 34 8.791 -1.297 -3.967
281 HG3 ARG 34 HG1 ARG 34 8.050 0.259 -3.590
282 HD2 ARG 34 HD2 ARG 34 8.364 -0.818 -6.384
283 HD3 ARG 34 HD1 ARG 34 6.917 -1.045 -5.404
284 HE ARG 34 HE ARG 34 7.665 1.706 -5.617
285 HH11 ARG 34 HH11 ARG 34 6.054 -0.916 -7.284
286 HH12 ARG 34 HH12 ARG 34 5.003 0.128 -8.185
287 HH21 ARG 34 HH21 ARG 34 6.282 3.091 -6.814
288 HH22 ARG 34 HH22 ARG 34 5.151 2.409 -7.937
289 H ARG 35 HN ARG 35 12.241 2.611 -3.197
290 HA ARG 35 HA ARG 35 14.437 1.675 -4.788
291 HB2 ARG 35 HB2 ARG 35 13.706 4.073 -4.640
292 HB3 ARG 35 HB1 ARG 35 14.319 4.107 -2.994
293 HG2 ARG 35 HG2 ARG 35 16.565 3.631 -3.811
294 HG3 ARG 35 HG1 ARG 35 15.954 3.577 -5.465
295 HD2 ARG 35 HD2 ARG 35 15.237 5.916 -5.259
296 HD3 ARG 35 HD1 ARG 35 15.885 5.964 -3.622
297 HE ARG 35 HE ARG 35 17.857 5.153 -5.506
298 HH11 ARG 35 HH11 ARG 35 16.229 7.952 -4.173
299 HH12 ARG 35 HH12 ARG 35 17.481 9.059 -4.637
300 HH21 ARG 35 HH21 ARG 35 19.518 6.607 -6.091
301 HH22 ARG 35 HH22 ARG 35 19.354 8.292 -5.719
302 H GLU 36 HN GLU 36 13.493 1.288 -1.586
303 HA GLU 36 HA GLU 36 16.237 0.866 -0.627
304 HB2 GLU 36 HB2 GLU 36 13.644 1.160 0.898
305 HB3 GLU 36 HB1 GLU 36 15.224 0.921 1.629
306 HG2 GLU 36 HG2 GLU 36 15.979 3.037 0.947
307 HG3 GLU 36 HG1 GLU 36 14.641 3.240 -0.180
308 H GLN 37 HN GLN 37 14.559 -0.960 -2.334
309 HA GLN 37 HA GLN 37 14.140 -3.243 -0.568
310 HB2 GLN 37 HB2 GLN 37 13.677 -2.930 -3.541
311 HB3 GLN 37 HB1 GLN 37 13.255 -4.352 -2.597
312 HG2 GLN 37 HG2 GLN 37 11.671 -3.067 -1.303
313 HG3 GLN 37 HG1 GLN 37 12.141 -1.595 -2.149
314 HE21 GLN 37 HE21 GLN 37 12.346 -3.013 -4.731
315 HE22 GLN 37 HE22 GLN 37 10.713 -3.255 -5.251
316 H LYS 38 HN LYS 38 14.979 -5.400 -1.394
317 HA LYS 38 HA LYS 38 17.566 -5.160 -2.724
318 HB2 LYS 38 HB2 LYS 38 18.590 -6.671 -0.996
319 HB3 LYS 38 HB1 LYS 38 18.211 -5.052 -0.429
320 HG2 LYS 38 HG2 LYS 38 16.147 -5.934 0.604
321 HG3 LYS 38 HG1 LYS 38 16.627 -7.557 0.107
322 HD2 LYS 38 HD2 LYS 38 18.268 -5.759 1.889
323 HD3 LYS 38 HD1 LYS 38 17.184 -7.019 2.473
324 HE2 LYS 38 HE2 LYS 38 19.540 -7.479 0.647
325 HE3 LYS 38 HE1 LYS 38 19.559 -7.720 2.391
326 HZ1 LYS 38 HZ1 LYS 38 19.207 -9.799 1.237
327 HZ2 LYS 38 HZ2 LYS 38 17.845 -9.178 0.455
328 HZ3 LYS 38 HZ3 LYS 38 17.826 -9.398 2.128
329 HA PRO 39 HA PRO 39 15.475 -8.525 -4.889
330 HB2 PRO 39 HB2 PRO 39 17.716 -9.005 -6.477
331 HB3 PRO 39 HB1 PRO 39 16.381 -7.921 -6.879
332 HG2 PRO 39 HG2 PRO 39 19.058 -7.296 -5.731
333 HG3 PRO 39 HG1 PRO 39 18.087 -6.373 -6.891
334 HD2 PRO 39 HD2 PRO 39 18.270 -5.641 -4.328
335 HD3 PRO 39 HD1 PRO 39 16.754 -5.453 -5.231
336 H HIS 40 HN HIS 40 18.838 -8.662 -3.762
337 HA HIS 40 HA HIS 40 18.310 -11.116 -2.378
338 HB2 HIS 40 HB2 HIS 40 18.793 -11.922 -4.695
339 HB3 HIS 40 HB1 HIS 40 20.384 -11.177 -4.580
340 HD1 HIS 40 HD1 HIS 40 18.332 -13.947 -3.028
341 HD2 HIS 40 HD2 HIS 40 22.285 -12.691 -3.292
342 HE1 HIS 40 HE1 HIS 40 19.696 -15.795 -2.014
343 HE2 HIS 40 HE2 HIS 40 22.088 -15.067 -2.292
344 H LYS 41 HN LYS 41 21.017 -9.240 -3.714
345 HA LYS 41 HA LYS 41 22.832 -8.265 -2.779
346 HB2 LYS 41 HB2 LYS 41 21.148 -7.154 -1.323
347 HB3 LYS 41 HB1 LYS 41 21.325 -8.462 -0.165
348 HG2 LYS 41 HG2 LYS 41 23.667 -7.868 0.166
349 HG3 LYS 41 HG1 LYS 41 23.504 -6.567 -1.015
350 HD2 LYS 41 HD2 LYS 41 21.783 -5.525 0.410
351 HD3 LYS 41 HD1 LYS 41 22.022 -6.801 1.603
352 HE2 LYS 41 HE2 LYS 41 24.140 -4.870 0.665
353 HE3 LYS 41 HE1 LYS 41 23.230 -4.727 2.165
354 HZ1 LYS 41 HZ1 LYS 41 25.404 -5.715 2.522
355 HZ2 LYS 41 HZ2 LYS 41 25.039 -6.972 1.456
356 HZ3 LYS 41 HZ3 LYS 41 24.181 -6.819 2.904
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 -8.659 -9.496 21.592
2 H2 GLY 1 HT2 GLY 1 -9.643 -10.006 20.316
3 H3 GLY 1 HT3 GLY 1 -10.186 -8.808 21.376
4 HA2 GLY 1 HA1 GLY 1 -8.473 -7.300 20.620
5 HA3 GLY 1 HA2 GLY 1 -7.884 -8.545 19.528
6 H ALA 2 HN ALA 2 -8.971 -5.835 19.023
7 HA ALA 2 HA ALA 2 -11.415 -6.457 17.532
8 HB1 ALA 2 HB1 ALA 2 -11.707 -4.026 17.393
9 HB2 ALA 2 HB2 ALA 2 -10.190 -3.802 18.261
10 HB3 ALA 2 HB3 ALA 2 -11.556 -4.577 19.061
11 H MET 3 HN MET 3 -10.431 -7.530 15.788
12 HA MET 3 HA MET 3 -8.952 -5.743 13.976
13 HB2 MET 3 HB2 MET 3 -7.522 -7.538 15.012
14 HB3 MET 3 HB1 MET 3 -8.529 -8.728 14.207
15 HG2 MET 3 HG2 MET 3 -7.067 -6.583 12.703
16 HG3 MET 3 HG1 MET 3 -6.326 -8.127 13.105
17 HE1 MET 3 HE1 MET 3 -6.593 -6.955 10.143
18 HE2 MET 3 HE2 MET 3 -7.073 -8.397 9.249
19 HE3 MET 3 HE3 MET 3 -5.827 -8.504 10.493
20 H GLU 4 HN GLU 4 -10.417 -5.193 12.518
21 HA GLU 4 HA GLU 4 -11.501 -7.177 10.754
22 HB2 GLU 4 HB2 GLU 4 -13.190 -7.249 12.532
23 HB3 GLU 4 HB1 GLU 4 -13.384 -5.506 12.439
24 HG2 GLU 4 HG2 GLU 4 -15.213 -6.586 11.319
25 HG3 GLU 4 HG1 GLU 4 -14.216 -5.742 10.136
26 H VAL 5 HN VAL 5 -10.519 -6.137 9.072
27 HA VAL 5 HA VAL 5 -10.559 -3.290 8.788
28 HB VAL 5 HB VAL 5 -9.848 -5.337 6.683
29 HG11 VAL 5 HG11 VAL 5 -8.540 -3.536 5.694
30 HG12 VAL 5 HG12 VAL 5 -9.054 -2.443 6.979
31 HG13 VAL 5 HG13 VAL 5 -10.236 -3.070 5.833
32 HG21 VAL 5 HG21 VAL 5 -7.525 -5.033 7.403
33 HG22 VAL 5 HG22 VAL 5 -8.522 -5.710 8.692
34 HG23 VAL 5 HG23 VAL 5 -8.075 -4.004 8.726
35 H GLN 6 HN GLN 6 -12.357 -2.264 8.344
36 HA GLN 6 HA GLN 6 -14.559 -3.596 7.067
37 HB2 GLN 6 HB2 GLN 6 -15.787 -1.468 7.509
38 HB3 GLN 6 HB1 GLN 6 -15.102 -2.215 8.940
39 HG2 GLN 6 HG2 GLN 6 -13.755 0.043 7.485
40 HG3 GLN 6 HG1 GLN 6 -14.930 0.298 8.772
41 HE21 GLN 6 HE21 GLN 6 -14.382 -0.252 10.884
42 HE22 GLN 6 HE22 GLN 6 -12.742 -0.508 11.368
43 H THR 7 HN THR 7 -13.742 -3.946 4.985
44 HA THR 7 HA THR 7 -14.552 -1.936 3.155
45 HB THR 7 HB THR 7 -12.265 -1.090 3.713
46 HG1 THR 7 HG1 THR 7 -13.068 -0.572 1.697
47 HG21 THR 7 HG21 THR 7 -11.335 -3.630 2.364
48 HG22 THR 7 HG22 THR 7 -11.185 -3.279 4.084
49 HG23 THR 7 HG23 THR 7 -10.312 -2.300 2.906
50 H SER 8 HN SER 8 -14.438 -2.697 0.927
51 HA SER 8 HA SER 8 -14.395 -5.635 0.822
52 HB2 SER 8 HB2 SER 8 -16.012 -3.778 -0.932
53 HB3 SER 8 HB1 SER 8 -16.170 -5.529 -0.795
54 HG SER 8 HG SER 8 -17.026 -5.303 1.219
55 H GLN 9 HN GLN 9 -13.249 -2.689 -0.659
56 HA GLN 9 HA GLN 9 -11.790 -4.318 -2.625
57 HB2 GLN 9 HB2 GLN 9 -13.109 -1.658 -3.182
58 HB3 GLN 9 HB1 GLN 9 -12.100 -2.550 -4.311
59 HG2 GLN 9 HG2 GLN 9 -13.745 -4.428 -4.154
60 HG3 GLN 9 HG1 GLN 9 -14.787 -3.349 -3.231
61 HE21 GLN 9 HE21 GLN 9 -13.930 -1.012 -4.840
62 HE22 GLN 9 HE22 GLN 9 -14.781 -1.165 -6.338
63 H LYS 10 HN LYS 10 -11.652 -1.868 -0.247
64 HA LYS 10 HA LYS 10 -9.263 -0.636 -1.334
65 HB2 LYS 10 HB2 LYS 10 -10.812 -0.173 1.210
66 HB3 LYS 10 HB1 LYS 10 -9.276 0.616 0.889
67 HG2 LYS 10 HG2 LYS 10 -10.987 2.146 0.308
68 HG3 LYS 10 HG1 LYS 10 -10.295 1.552 -1.200
69 HD2 LYS 10 HD2 LYS 10 -12.166 0.020 -1.475
70 HD3 LYS 10 HD1 LYS 10 -12.841 0.543 0.068
71 HE2 LYS 10 HE2 LYS 10 -13.990 1.630 -1.771
72 HE3 LYS 10 HE1 LYS 10 -13.093 2.813 -0.821
73 HZ1 LYS 10 HZ1 LYS 10 -12.843 3.178 -3.195
74 HZ2 LYS 10 HZ2 LYS 10 -12.189 1.632 -3.392
75 HZ3 LYS 10 HZ3 LYS 10 -11.358 2.797 -2.488
76 H SER 11 HN SER 11 -8.301 -2.853 -1.354
77 HA SER 11 HA SER 11 -6.730 -3.173 1.110
78 HB2 SER 11 HB2 SER 11 -7.747 -5.386 -0.689
79 HB3 SER 11 HB1 SER 11 -6.650 -5.610 0.674
80 HG SER 11 HG SER 11 -8.799 -4.210 1.465
81 H TYR 12 HN TYR 12 -5.266 -1.737 0.061
82 HA TYR 12 HA TYR 12 -4.071 -2.501 -2.461
83 HB2 TYR 12 HB2 TYR 12 -3.170 -0.330 -0.559
84 HB3 TYR 12 HB1 TYR 12 -2.813 -0.462 -2.277
85 HD1 TYR 12 HD1 TYR 12 -5.312 0.461 0.216
86 HD2 TYR 12 HD2 TYR 12 -4.471 0.177 -3.941
87 HE1 TYR 12 HE1 TYR 12 -7.260 1.870 -0.263
88 HE2 TYR 12 HE2 TYR 12 -6.423 1.587 -4.437
89 HH TYR 12 HH TYR 12 -8.536 2.240 -3.408
90 H VAL 13 HN VAL 13 -2.549 -4.044 -2.525
91 HA VAL 13 HA VAL 13 -0.876 -4.427 -0.137
92 HB VAL 13 HB VAL 13 -1.421 -6.403 -2.358
93 HG11 VAL 13 HG11 VAL 13 0.718 -6.774 -1.267
94 HG12 VAL 13 HG12 VAL 13 -0.426 -8.042 -0.829
95 HG13 VAL 13 HG13 VAL 13 -0.065 -6.749 0.314
96 HG21 VAL 13 HG21 VAL 13 -3.451 -5.953 -1.083
97 HG22 VAL 13 HG22 VAL 13 -2.588 -6.272 0.423
98 HG23 VAL 13 HG23 VAL 13 -2.841 -7.572 -0.742
99 H CYS 14 HN CYS 14 1.180 -3.826 -0.262
100 HA CYS 14 HA CYS 14 2.510 -3.284 -2.751
101 HB2 CYS 14 HB2 CYS 14 3.159 -2.034 -0.775
102 HB3 CYS 14 HB1 CYS 14 3.525 -3.515 0.092
103 HA PRO 15 HA PRO 15 2.988 -7.576 -3.546
104 HB2 PRO 15 HB2 PRO 15 4.625 -7.408 -5.721
105 HB3 PRO 15 HB1 PRO 15 2.891 -7.074 -5.771
106 HG2 PRO 15 HG2 PRO 15 5.183 -5.162 -5.605
107 HG3 PRO 15 HG1 PRO 15 3.701 -5.051 -6.571
108 HD2 PRO 15 HD2 PRO 15 4.031 -3.686 -4.265
109 HD3 PRO 15 HD1 PRO 15 2.450 -4.295 -4.791
110 H ASN 16 HN ASN 16 5.715 -5.529 -2.935
111 HA ASN 16 HA ASN 16 7.609 -7.715 -2.938
112 HB2 ASN 16 HB2 ASN 16 8.290 -5.479 -3.714
113 HB3 ASN 16 HB1 ASN 16 7.970 -4.827 -2.112
114 HD21 ASN 16 HD21 ASN 16 10.104 -6.757 -4.047
115 HD22 ASN 16 HD22 ASN 16 11.390 -6.846 -2.892
116 H CYS 17 HN CYS 17 5.843 -5.800 -0.570
117 HA CYS 17 HA CYS 17 7.364 -7.110 1.573
118 HB2 CYS 17 HB2 CYS 17 5.567 -4.720 1.912
119 HB3 CYS 17 HB1 CYS 17 6.844 -5.283 2.985
120 H GLY 18 HN GLY 18 4.256 -6.987 0.126
121 HA2 GLY 18 HA2 GLY 18 2.392 -8.286 0.575
122 HA3 GLY 18 HA1 GLY 18 3.231 -8.953 1.969
123 H LYS 19 HN LYS 19 3.155 -5.559 1.739
124 HA LYS 19 HA LYS 19 1.644 -5.396 4.195
125 HB2 LYS 19 HB2 LYS 19 3.766 -4.081 3.609
126 HB3 LYS 19 HB1 LYS 19 2.741 -3.100 2.573
127 HG2 LYS 19 HG2 LYS 19 2.884 -1.890 4.549
128 HG3 LYS 19 HG1 LYS 19 1.323 -2.704 4.661
129 HD2 LYS 19 HD2 LYS 19 2.396 -4.471 6.025
130 HD3 LYS 19 HD1 LYS 19 3.898 -3.549 5.980
131 HE2 LYS 19 HE2 LYS 19 2.760 -1.666 7.064
132 HE3 LYS 19 HE1 LYS 19 1.274 -2.613 7.135
133 HZ1 LYS 19 HZ1 LYS 19 3.829 -3.214 8.514
134 HZ2 LYS 19 HZ2 LYS 19 2.490 -4.246 8.491
135 HZ3 LYS 19 HZ3 LYS 19 2.373 -2.734 9.231
136 H ILE 20 HN ILE 20 -0.452 -4.776 4.379
137 HA ILE 20 HA ILE 20 -1.835 -3.999 1.901
138 HB ILE 20 HB ILE 20 -2.701 -6.065 2.752
139 HG12 ILE 20 HG12 ILE 20 -4.580 -3.790 3.421
140 HG13 ILE 20 HG11 ILE 20 -4.351 -4.512 1.832
141 HG21 ILE 20 HG21 ILE 20 -3.070 -4.635 5.378
142 HG22 ILE 20 HG22 ILE 20 -1.956 -5.959 5.037
143 HG23 ILE 20 HG23 ILE 20 -3.695 -6.242 5.006
144 HD11 ILE 20 HD11 ILE 20 -6.391 -5.298 2.899
145 HD12 ILE 20 HD12 ILE 20 -5.448 -5.917 4.253
146 HD13 ILE 20 HD13 ILE 20 -5.249 -6.617 2.648
147 H PHE 21 HN PHE 21 -2.777 -2.068 1.747
148 HA PHE 21 HA PHE 21 -3.041 -0.440 4.175
149 HB2 PHE 21 HB2 PHE 21 -2.235 0.377 1.383
150 HB3 PHE 21 HB1 PHE 21 -2.704 1.528 2.630
151 HD1 PHE 21 HD1 PHE 21 -0.188 -0.963 1.643
152 HD2 PHE 21 HD2 PHE 21 -1.235 2.100 4.397
153 HE1 PHE 21 HE1 PHE 21 2.120 -0.922 2.469
154 HE2 PHE 21 HE2 PHE 21 1.070 2.140 5.240
155 HZ PHE 21 HZ PHE 21 2.753 0.624 4.279
156 H ARG 22 HN ARG 22 -4.827 0.927 4.278
157 HA ARG 22 HA ARG 22 -7.057 0.053 2.600
158 HB2 ARG 22 HB2 ARG 22 -7.191 -0.069 5.112
159 HB3 ARG 22 HB1 ARG 22 -7.143 1.689 5.133
160 HG2 ARG 22 HG2 ARG 22 -9.176 1.705 3.722
161 HG3 ARG 22 HG1 ARG 22 -9.243 -0.052 3.888
162 HD2 ARG 22 HD2 ARG 22 -9.610 0.083 6.216
163 HD3 ARG 22 HD1 ARG 22 -9.157 1.785 6.264
164 HE ARG 22 HE ARG 22 -11.443 1.315 4.613
165 HH11 ARG 22 HH11 ARG 22 -10.384 1.708 7.921
166 HH12 ARG 22 HH12 ARG 22 -11.909 2.325 8.472
167 HH21 ARG 22 HH21 ARG 22 -13.446 2.143 5.322
168 HH22 ARG 22 HH22 ARG 22 -13.659 2.570 6.992
169 H TRP 23 HN TRP 23 -4.924 2.645 3.069
170 HA TRP 23 HA TRP 23 -6.676 4.455 1.540
171 HB2 TRP 23 HB2 TRP 23 -4.528 5.415 3.423
172 HB3 TRP 23 HB1 TRP 23 -5.887 6.318 2.762
173 HD1 TRP 23 HD1 TRP 23 -4.824 4.485 5.783
174 HE1 TRP 23 HE1 TRP 23 -6.800 4.162 7.404
175 HE3 TRP 23 HE3 TRP 23 -8.655 5.795 2.661
176 HZ2 TRP 23 HZ2 TRP 23 -9.609 4.432 7.353
177 HZ3 TRP 23 HZ3 TRP 23 -10.953 5.732 3.533
178 HH2 TRP 23 HH2 TRP 23 -11.419 5.064 5.827
179 H ARG 24 HN ARG 24 -5.692 5.699 -0.052
180 HA ARG 24 HA ARG 24 -3.555 4.374 -1.385
181 HB2 ARG 24 HB2 ARG 24 -5.366 5.331 -2.658
182 HB3 ARG 24 HB1 ARG 24 -5.026 6.933 -2.016
183 HG2 ARG 24 HG2 ARG 24 -2.888 6.963 -3.164
184 HG3 ARG 24 HG1 ARG 24 -3.177 5.332 -3.772
185 HD2 ARG 24 HD2 ARG 24 -5.066 6.101 -5.055
186 HD3 ARG 24 HD1 ARG 24 -4.929 7.715 -4.358
187 HE ARG 24 HE ARG 24 -2.632 7.695 -5.471
188 HH11 ARG 24 HH11 ARG 24 -5.461 6.094 -6.774
189 HH12 ARG 24 HH12 ARG 24 -4.905 6.175 -8.413
190 HH21 ARG 24 HH21 ARG 24 -1.902 7.805 -7.618
191 HH22 ARG 24 HH22 ARG 24 -2.866 7.132 -8.895
192 H VAL 25 HN VAL 25 -3.774 7.404 0.446
193 HA VAL 25 HA VAL 25 -1.428 8.576 -0.547
194 HB VAL 25 HB VAL 25 -1.428 9.953 1.558
195 HG11 VAL 25 HG11 VAL 25 -4.005 9.751 0.009
196 HG12 VAL 25 HG12 VAL 25 -2.583 10.692 -0.438
197 HG13 VAL 25 HG13 VAL 25 -3.515 11.127 0.995
198 HG21 VAL 25 HG21 VAL 25 -2.400 8.345 3.100
199 HG22 VAL 25 HG22 VAL 25 -3.898 8.330 2.171
200 HG23 VAL 25 HG23 VAL 25 -3.403 9.793 3.020
201 H ASN 26 HN ASN 26 -1.877 6.677 2.428
202 HA ASN 26 HA ASN 26 0.899 6.704 3.077
203 HB2 ASN 26 HB2 ASN 26 0.092 4.680 4.566
204 HB3 ASN 26 HB1 ASN 26 -0.361 6.330 4.973
205 HD21 ASN 26 HD21 ASN 26 -1.467 3.433 3.317
206 HD22 ASN 26 HD22 ASN 26 -3.148 3.704 3.603
207 H PHE 27 HN PHE 27 -1.176 4.621 1.221
208 HA PHE 27 HA PHE 27 0.478 2.371 0.955
209 HB2 PHE 27 HB2 PHE 27 -1.877 2.439 0.214
210 HB3 PHE 27 HB1 PHE 27 -1.424 3.534 -1.089
211 HD1 PHE 27 HD1 PHE 27 -0.229 0.301 0.289
212 HD2 PHE 27 HD2 PHE 27 -1.261 2.549 -3.164
213 HE1 PHE 27 HE1 PHE 27 0.288 -1.644 -1.116
214 HE2 PHE 27 HE2 PHE 27 -0.745 0.605 -4.585
215 HZ PHE 27 HZ PHE 27 0.038 -1.490 -3.551
216 H ILE 28 HN ILE 28 0.201 5.249 -1.125
217 HA ILE 28 HA ILE 28 2.229 4.484 -2.931
218 HB ILE 28 HB ILE 28 1.279 7.268 -2.236
219 HG12 ILE 28 HG12 ILE 28 -0.569 5.884 -2.972
220 HG13 ILE 28 HG11 ILE 28 -0.145 7.012 -4.253
221 HG21 ILE 28 HG21 ILE 28 2.129 7.922 -4.430
222 HG22 ILE 28 HG22 ILE 28 2.751 6.290 -4.679
223 HG23 ILE 28 HG23 ILE 28 3.421 7.303 -3.401
224 HD11 ILE 28 HD11 ILE 28 -0.620 4.850 -5.186
225 HD12 ILE 28 HD12 ILE 28 0.571 4.093 -4.129
226 HD13 ILE 28 HD13 ILE 28 1.093 5.212 -5.387
227 H ARG 29 HN ARG 29 2.269 6.225 0.100
228 HA ARG 29 HA ARG 29 4.923 7.141 0.059
229 HB2 ARG 29 HB2 ARG 29 3.106 7.793 1.691
230 HB3 ARG 29 HB1 ARG 29 3.366 6.250 2.488
231 HG2 ARG 29 HG2 ARG 29 5.649 6.853 3.010
232 HG3 ARG 29 HG1 ARG 29 5.469 8.376 2.140
233 HD2 ARG 29 HD2 ARG 29 5.257 8.697 4.553
234 HD3 ARG 29 HD1 ARG 29 3.755 9.088 3.719
235 HE ARG 29 HE ARG 29 3.695 6.399 4.569
236 HH11 ARG 29 HH11 ARG 29 3.570 9.644 5.867
237 HH12 ARG 29 HH12 ARG 29 2.591 9.201 7.227
238 HH21 ARG 29 HH21 ARG 29 2.393 5.807 6.347
239 HH22 ARG 29 HH22 ARG 29 1.936 7.014 7.509
240 H HIS 30 HN HIS 30 3.496 4.133 1.298
241 HA HIS 30 HA HIS 30 6.005 3.030 2.087
242 HB2 HIS 30 HB2 HIS 30 4.127 2.182 3.248
243 HB3 HIS 30 HB1 HIS 30 3.268 1.819 1.752
244 HD1 HIS 30 HD1 HIS 30 6.413 0.625 3.584
245 HD2 HIS 30 HD2 HIS 30 3.520 -0.708 0.915
246 HE1 HIS 30 HE1 HIS 30 6.946 -1.803 3.099
247 H LEU 31 HN LEU 31 4.195 3.027 -0.896
248 HA LEU 31 HA LEU 31 5.480 0.842 -2.109
249 HB2 LEU 31 HB2 LEU 31 3.762 3.010 -2.983
250 HB3 LEU 31 HB1 LEU 31 4.959 2.577 -4.193
251 HG LEU 31 HG LEU 31 2.765 1.364 -4.392
252 HD11 LEU 31 HD11 LEU 31 3.785 -0.816 -4.825
253 HD12 LEU 31 HD12 LEU 31 5.212 -0.337 -3.906
254 HD13 LEU 31 HD13 LEU 31 4.812 0.495 -5.409
255 HD21 LEU 31 HD21 LEU 31 3.727 -0.012 -1.882
256 HD22 LEU 31 HD22 LEU 31 2.323 -0.465 -2.847
257 HD23 LEU 31 HD23 LEU 31 2.345 1.076 -1.991
258 H ARG 32 HN ARG 32 6.560 4.086 -1.530
259 HA ARG 32 HA ARG 32 8.841 4.080 -3.165
260 HB2 ARG 32 HB2 ARG 32 8.495 5.252 -0.397
261 HB3 ARG 32 HB1 ARG 32 9.826 5.616 -1.485
262 HG2 ARG 32 HG2 ARG 32 6.916 6.245 -1.930
263 HG3 ARG 32 HG1 ARG 32 8.208 7.389 -1.566
264 HD2 ARG 32 HD2 ARG 32 7.955 5.698 -4.049
265 HD3 ARG 32 HD1 ARG 32 7.700 7.436 -3.933
266 HE ARG 32 HE ARG 32 10.202 7.284 -3.099
267 HH11 ARG 32 HH11 ARG 32 8.678 5.601 -5.771
268 HH12 ARG 32 HH12 ARG 32 10.126 5.554 -6.724
269 HH21 ARG 32 HH21 ARG 32 12.100 7.216 -4.346
270 HH22 ARG 32 HH22 ARG 32 12.076 6.474 -5.916
271 H SER 33 HN SER 33 8.039 2.391 -0.257
272 HA SER 33 HA SER 33 10.683 1.169 -0.136
273 HB2 SER 33 HB2 SER 33 8.307 1.056 1.720
274 HB3 SER 33 HB1 SER 33 9.734 0.041 1.924
275 HG SER 33 HG SER 33 10.880 2.201 1.726
276 H ARG 34 HN ARG 34 10.200 0.331 -2.263
277 HA ARG 34 HA ARG 34 9.009 -2.354 -2.032
278 HB2 ARG 34 HB2 ARG 34 7.945 -0.870 -3.749
279 HB3 ARG 34 HB1 ARG 34 9.506 -0.728 -4.542
280 HG2 ARG 34 HG2 ARG 34 9.487 -3.188 -4.890
281 HG3 ARG 34 HG1 ARG 34 7.850 -3.218 -4.226
282 HD2 ARG 34 HD2 ARG 34 7.084 -1.735 -5.986
283 HD3 ARG 34 HD1 ARG 34 8.720 -1.627 -6.634
284 HE ARG 34 HE ARG 34 7.928 -4.331 -6.528
285 HH11 ARG 34 HH11 ARG 34 7.224 -1.383 -8.278
286 HH12 ARG 34 HH12 ARG 34 6.776 -2.201 -9.739
287 HH21 ARG 34 HH21 ARG 34 7.329 -5.419 -8.448
288 HH22 ARG 34 HH22 ARG 34 6.833 -4.500 -9.835
289 H ARG 35 HN ARG 35 11.485 -0.459 -3.691
290 HA ARG 35 HA ARG 35 13.616 -2.128 -2.735
291 HB2 ARG 35 HB2 ARG 35 12.713 -2.247 -5.582
292 HB3 ARG 35 HB1 ARG 35 14.439 -2.268 -5.259
293 HG2 ARG 35 HG2 ARG 35 14.135 -4.249 -3.841
294 HG3 ARG 35 HG1 ARG 35 12.409 -4.236 -4.218
295 HD2 ARG 35 HD2 ARG 35 12.865 -4.593 -6.550
296 HD3 ARG 35 HD1 ARG 35 14.597 -4.431 -6.280
297 HE ARG 35 HE ARG 35 13.967 -6.507 -4.699
298 HH11 ARG 35 HH11 ARG 35 13.207 -5.796 -8.029
299 HH12 ARG 35 HH12 ARG 35 13.208 -7.455 -8.523
300 HH21 ARG 35 HH21 ARG 35 13.989 -8.704 -5.342
301 HH22 ARG 35 HH22 ARG 35 13.657 -9.112 -6.993
302 H GLU 36 HN GLU 36 13.497 0.317 -1.942
303 HA GLU 36 HA GLU 36 14.620 2.141 -3.903
304 HB2 GLU 36 HB2 GLU 36 14.332 3.888 -2.313
305 HB3 GLU 36 HB1 GLU 36 12.890 2.893 -2.235
306 HG2 GLU 36 HG2 GLU 36 15.162 2.580 -0.296
307 HG3 GLU 36 HG1 GLU 36 13.864 3.742 -0.049
308 H GLN 37 HN GLN 37 15.575 0.642 -0.853
309 HA GLN 37 HA GLN 37 18.374 0.773 -1.669
310 HB2 GLN 37 HB2 GLN 37 17.299 1.970 0.889
311 HB3 GLN 37 HB1 GLN 37 18.987 1.528 0.689
312 HG2 GLN 37 HG2 GLN 37 17.511 3.508 -1.031
313 HG3 GLN 37 HG1 GLN 37 18.543 3.926 0.336
314 HE21 GLN 37 HE21 GLN 37 20.494 1.849 -0.232
315 HE22 GLN 37 HE22 GLN 37 21.372 2.373 -1.624
316 H LYS 38 HN LYS 38 16.628 0.079 1.342
317 HA LYS 38 HA LYS 38 17.549 -2.711 1.158
318 HB2 LYS 38 HB2 LYS 38 17.191 -1.009 3.635
319 HB3 LYS 38 HB1 LYS 38 17.587 -2.722 3.640
320 HG2 LYS 38 HG2 LYS 38 19.303 -0.598 2.374
321 HG3 LYS 38 HG1 LYS 38 19.529 -1.220 4.009
322 HD2 LYS 38 HD2 LYS 38 19.902 -3.455 3.132
323 HD3 LYS 38 HD1 LYS 38 19.600 -2.880 1.490
324 HE2 LYS 38 HE2 LYS 38 21.557 -1.512 1.537
325 HE3 LYS 38 HE1 LYS 38 21.801 -1.823 3.255
326 HZ1 LYS 38 HZ1 LYS 38 23.289 -3.145 1.892
327 HZ2 LYS 38 HZ2 LYS 38 21.977 -3.846 1.088
328 HZ3 LYS 38 HZ3 LYS 38 22.213 -4.142 2.736
329 HA PRO 39 HA PRO 39 13.222 -3.665 0.850
330 HB2 PRO 39 HB2 PRO 39 14.158 -6.209 2.086
331 HB3 PRO 39 HB1 PRO 39 13.173 -5.956 0.640
332 HG2 PRO 39 HG2 PRO 39 15.737 -6.623 0.424
333 HG3 PRO 39 HG1 PRO 39 15.009 -5.446 -0.683
334 HD2 PRO 39 HD2 PRO 39 16.834 -4.996 1.631
335 HD3 PRO 39 HD1 PRO 39 16.737 -4.136 0.081
336 H HIS 40 HN HIS 40 11.864 -2.799 2.248
337 HA HIS 40 HA HIS 40 12.261 -3.150 5.115
338 HB2 HIS 40 HB2 HIS 40 10.444 -1.344 3.515
339 HB3 HIS 40 HB1 HIS 40 10.390 -1.454 5.270
340 HD1 HIS 40 HD1 HIS 40 12.184 0.179 2.507
341 HD2 HIS 40 HD2 HIS 40 12.798 -0.523 6.558
342 HE1 HIS 40 HE1 HIS 40 13.992 1.776 3.205
343 HE2 HIS 40 HE2 HIS 40 14.485 1.179 5.602
344 H LYS 41 HN LYS 41 11.665 -5.502 4.547
345 HA LYS 41 HA LYS 41 8.760 -5.797 4.931
346 HB2 LYS 41 HB2 LYS 41 9.508 -6.742 2.775
347 HB3 LYS 41 HB1 LYS 41 10.659 -7.762 3.626
348 HG2 LYS 41 HG2 LYS 41 8.784 -8.859 4.788
349 HG3 LYS 41 HG1 LYS 41 7.659 -7.878 3.850
350 HD2 LYS 41 HD2 LYS 41 8.495 -8.862 1.787
351 HD3 LYS 41 HD1 LYS 41 9.671 -9.809 2.699
352 HE2 LYS 41 HE2 LYS 41 6.677 -10.012 2.981
353 HE3 LYS 41 HE1 LYS 41 7.688 -11.122 2.057
354 HZ1 LYS 41 HZ1 LYS 41 8.834 -11.724 4.088
355 HZ2 LYS 41 HZ2 LYS 41 7.174 -11.983 4.260
356 HZ3 LYS 41 HZ3 LYS 41 7.896 -10.638 4.982
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 -9.135 -7.480 13.862
2 H2 GLY 1 HT2 GLY 1 -8.943 -6.818 15.403
3 H3 GLY 1 HT3 GLY 1 -7.867 -7.999 14.850
4 HA2 GLY 1 HA1 GLY 1 -6.851 -5.815 14.753
5 HA3 GLY 1 HA2 GLY 1 -7.036 -6.514 13.153
6 H ALA 2 HN ALA 2 -6.708 -3.993 12.920
7 HA ALA 2 HA ALA 2 -9.328 -2.659 13.045
8 HB1 ALA 2 HB1 ALA 2 -7.527 -1.558 14.279
9 HB2 ALA 2 HB2 ALA 2 -8.101 -0.559 12.943
10 HB3 ALA 2 HB3 ALA 2 -6.581 -1.442 12.796
11 H MET 3 HN MET 3 -7.459 -4.302 10.905
12 HA MET 3 HA MET 3 -7.867 -2.532 8.635
13 HB2 MET 3 HB2 MET 3 -6.577 -5.241 8.907
14 HB3 MET 3 HB1 MET 3 -6.814 -4.454 7.354
15 HG2 MET 3 HG2 MET 3 -5.444 -2.577 8.100
16 HG3 MET 3 HG1 MET 3 -5.207 -3.369 9.656
17 HE1 MET 3 HE1 MET 3 -2.880 -2.308 7.738
18 HE2 MET 3 HE2 MET 3 -1.711 -3.623 7.864
19 HE3 MET 3 HE3 MET 3 -2.563 -3.060 9.301
20 H GLU 4 HN GLU 4 -9.595 -4.955 10.233
21 HA GLU 4 HA GLU 4 -11.015 -5.947 7.940
22 HB2 GLU 4 HB2 GLU 4 -11.398 -6.263 10.907
23 HB3 GLU 4 HB1 GLU 4 -12.568 -6.885 9.752
24 HG2 GLU 4 HG2 GLU 4 -9.659 -7.639 9.873
25 HG3 GLU 4 HG1 GLU 4 -11.002 -8.606 10.476
26 H VAL 5 HN VAL 5 -11.233 -3.418 7.527
27 HA VAL 5 HA VAL 5 -13.684 -2.347 8.657
28 HB VAL 5 HB VAL 5 -11.935 -1.246 6.446
29 HG11 VAL 5 HG11 VAL 5 -14.210 -0.375 6.370
30 HG12 VAL 5 HG12 VAL 5 -13.075 0.874 6.887
31 HG13 VAL 5 HG13 VAL 5 -14.106 0.073 8.072
32 HG21 VAL 5 HG21 VAL 5 -10.697 -1.412 8.529
33 HG22 VAL 5 HG22 VAL 5 -11.994 -0.579 9.386
34 HG23 VAL 5 HG23 VAL 5 -11.058 0.277 8.162
35 H GLN 6 HN GLN 6 -15.634 -2.610 7.759
36 HA GLN 6 HA GLN 6 -15.929 -4.346 5.516
37 HB2 GLN 6 HB2 GLN 6 -17.502 -4.312 7.426
38 HB3 GLN 6 HB1 GLN 6 -18.022 -2.702 6.953
39 HG2 GLN 6 HG2 GLN 6 -19.642 -4.279 6.199
40 HG3 GLN 6 HG1 GLN 6 -18.796 -3.636 4.796
41 HE21 GLN 6 HE21 GLN 6 -20.302 -6.113 5.145
42 HE22 GLN 6 HE22 GLN 6 -19.222 -7.394 4.717
43 H THR 7 HN THR 7 -14.948 -3.319 3.776
44 HA THR 7 HA THR 7 -16.645 -1.596 2.266
45 HB THR 7 HB THR 7 -15.605 0.075 3.779
46 HG1 THR 7 HG1 THR 7 -15.928 0.292 1.270
47 HG21 THR 7 HG21 THR 7 -13.210 0.589 3.559
48 HG22 THR 7 HG22 THR 7 -13.012 -0.820 2.517
49 HG23 THR 7 HG23 THR 7 -13.478 -1.030 4.205
50 H SER 8 HN SER 8 -16.029 -1.530 0.096
51 HA SER 8 HA SER 8 -13.924 -3.390 -0.669
52 HB2 SER 8 HB2 SER 8 -16.222 -3.424 -1.741
53 HB3 SER 8 HB1 SER 8 -15.829 -1.869 -2.472
54 HG SER 8 HG SER 8 -14.494 -4.345 -2.857
55 H GLN 9 HN GLN 9 -12.226 -2.001 0.128
56 HA GLN 9 HA GLN 9 -11.423 0.031 -1.797
57 HB2 GLN 9 HB2 GLN 9 -12.667 1.350 -0.207
58 HB3 GLN 9 HB1 GLN 9 -11.816 0.609 1.141
59 HG2 GLN 9 HG2 GLN 9 -9.738 1.650 0.421
60 HG3 GLN 9 HG1 GLN 9 -10.566 2.364 -0.961
61 HE21 GLN 9 HE21 GLN 9 -9.138 3.571 1.332
62 HE22 GLN 9 HE22 GLN 9 -10.265 4.689 2.021
63 H LYS 10 HN LYS 10 -10.632 -1.834 1.107
64 HA LYS 10 HA LYS 10 -7.848 -1.164 0.999
65 HB2 LYS 10 HB2 LYS 10 -7.611 -2.846 2.805
66 HB3 LYS 10 HB1 LYS 10 -8.827 -1.628 3.146
67 HG2 LYS 10 HG2 LYS 10 -10.592 -3.131 2.821
68 HG3 LYS 10 HG1 LYS 10 -9.559 -4.294 1.986
69 HD2 LYS 10 HD2 LYS 10 -8.330 -4.668 4.092
70 HD3 LYS 10 HD1 LYS 10 -9.436 -3.562 4.910
71 HE2 LYS 10 HE2 LYS 10 -11.299 -5.012 4.454
72 HE3 LYS 10 HE1 LYS 10 -10.289 -6.070 3.472
73 HZ1 LYS 10 HZ1 LYS 10 -10.693 -6.924 5.735
74 HZ2 LYS 10 HZ2 LYS 10 -9.883 -5.582 6.373
75 HZ3 LYS 10 HZ3 LYS 10 -9.050 -6.692 5.411
76 H SER 11 HN SER 11 -7.684 -1.796 -1.296
77 HA SER 11 HA SER 11 -7.273 -4.688 -1.616
78 HB2 SER 11 HB2 SER 11 -9.104 -3.611 -2.984
79 HB3 SER 11 HB1 SER 11 -7.851 -2.694 -3.813
80 HG SER 11 HG SER 11 -8.359 -5.468 -3.858
81 H TYR 12 HN TYR 12 -5.455 -2.294 -0.809
82 HA TYR 12 HA TYR 12 -3.521 -2.405 -3.005
83 HB2 TYR 12 HB2 TYR 12 -3.303 -0.685 -0.542
84 HB3 TYR 12 HB1 TYR 12 -2.574 -0.428 -2.125
85 HD1 TYR 12 HD1 TYR 12 -5.451 0.128 -0.041
86 HD2 TYR 12 HD2 TYR 12 -4.046 0.239 -4.051
87 HE1 TYR 12 HE1 TYR 12 -7.379 1.498 -0.670
88 HE2 TYR 12 HE2 TYR 12 -5.973 1.622 -4.692
89 HH TYR 12 HH TYR 12 -8.291 2.030 -3.866
90 H VAL 13 HN VAL 13 -2.216 -4.103 -2.850
91 HA VAL 13 HA VAL 13 -0.948 -4.650 -0.251
92 HB VAL 13 HB VAL 13 -1.184 -6.527 -2.611
93 HG11 VAL 13 HG11 VAL 13 -0.193 -6.999 0.199
94 HG12 VAL 13 HG12 VAL 13 0.798 -6.944 -1.259
95 HG13 VAL 13 HG13 VAL 13 -0.385 -8.236 -1.045
96 HG21 VAL 13 HG21 VAL 13 -2.797 -7.766 -1.247
97 HG22 VAL 13 HG22 VAL 13 -3.363 -6.131 -1.590
98 HG23 VAL 13 HG23 VAL 13 -2.702 -6.521 -0.003
99 H CYS 14 HN CYS 14 1.153 -4.077 -0.095
100 HA CYS 14 HA CYS 14 2.706 -3.326 -2.375
101 HB2 CYS 14 HB2 CYS 14 3.266 -2.320 -0.267
102 HB3 CYS 14 HB1 CYS 14 3.461 -3.891 0.495
103 HA PRO 15 HA PRO 15 3.417 -7.544 -3.632
104 HB2 PRO 15 HB2 PRO 15 5.493 -6.375 -5.373
105 HB3 PRO 15 HB1 PRO 15 4.059 -7.308 -5.809
106 HG2 PRO 15 HG2 PRO 15 4.211 -4.677 -6.281
107 HG3 PRO 15 HG1 PRO 15 2.687 -5.451 -5.810
108 HD2 PRO 15 HD2 PRO 15 4.583 -3.830 -4.159
109 HD3 PRO 15 HD1 PRO 15 2.809 -3.833 -4.166
110 H ASN 16 HN ASN 16 5.811 -5.396 -2.402
111 HA ASN 16 HA ASN 16 7.858 -7.451 -2.331
112 HB2 ASN 16 HB2 ASN 16 8.554 -5.222 -2.955
113 HB3 ASN 16 HB1 ASN 16 7.882 -4.560 -1.473
114 HD21 ASN 16 HD21 ASN 16 10.447 -6.477 -2.848
115 HD22 ASN 16 HD22 ASN 16 11.514 -6.376 -1.489
116 H CYS 17 HN CYS 17 5.848 -5.621 -0.038
117 HA CYS 17 HA CYS 17 7.136 -7.068 2.164
118 HB2 CYS 17 HB2 CYS 17 5.155 -4.796 2.333
119 HB3 CYS 17 HB1 CYS 17 6.123 -5.451 3.648
120 H GLY 18 HN GLY 18 4.247 -7.111 0.329
121 HA2 GLY 18 HA2 GLY 18 2.338 -8.397 0.542
122 HA3 GLY 18 HA1 GLY 18 3.049 -9.140 1.970
123 H LYS 19 HN LYS 19 3.026 -5.758 1.918
124 HA LYS 19 HA LYS 19 1.366 -5.668 4.269
125 HB2 LYS 19 HB2 LYS 19 3.535 -4.323 3.710
126 HB3 LYS 19 HB1 LYS 19 2.449 -3.268 2.821
127 HG2 LYS 19 HG2 LYS 19 2.672 -2.262 4.909
128 HG3 LYS 19 HG1 LYS 19 1.119 -3.100 4.992
129 HD2 LYS 19 HD2 LYS 19 2.164 -4.950 6.172
130 HD3 LYS 19 HD1 LYS 19 3.737 -4.164 6.047
131 HE2 LYS 19 HE2 LYS 19 2.876 -3.768 8.246
132 HE3 LYS 19 HE1 LYS 19 2.811 -2.254 7.347
133 HZ1 LYS 19 HZ1 LYS 19 0.453 -2.712 6.913
134 HZ2 LYS 19 HZ2 LYS 19 0.788 -2.562 8.561
135 HZ3 LYS 19 HZ3 LYS 19 0.545 -4.092 7.885
136 H ILE 20 HN ILE 20 -0.732 -5.049 4.353
137 HA ILE 20 HA ILE 20 -1.956 -4.189 1.822
138 HB ILE 20 HB ILE 20 -2.713 -6.368 2.789
139 HG12 ILE 20 HG12 ILE 20 -4.146 -4.829 1.315
140 HG13 ILE 20 HG11 ILE 20 -4.965 -6.112 2.194
141 HG21 ILE 20 HG21 ILE 20 -4.245 -6.337 4.719
142 HG22 ILE 20 HG22 ILE 20 -3.829 -4.644 4.986
143 HG23 ILE 20 HG23 ILE 20 -2.591 -5.890 5.131
144 HD11 ILE 20 HD11 ILE 20 -6.234 -4.057 2.247
145 HD12 ILE 20 HD12 ILE 20 -4.872 -3.209 2.980
146 HD13 ILE 20 HD13 ILE 20 -5.695 -4.493 3.867
147 H PHE 21 HN PHE 21 -2.991 -2.267 1.694
148 HA PHE 21 HA PHE 21 -3.010 -0.634 4.128
149 HB2 PHE 21 HB2 PHE 21 -2.153 0.066 1.332
150 HB3 PHE 21 HB1 PHE 21 -2.650 1.308 2.477
151 HD1 PHE 21 HD1 PHE 21 -0.130 -1.255 1.730
152 HD2 PHE 21 HD2 PHE 21 -1.267 1.926 4.314
153 HE1 PHE 21 HE1 PHE 21 2.138 -1.210 2.669
154 HE2 PHE 21 HE2 PHE 21 0.998 1.971 5.265
155 HZ PHE 21 HZ PHE 21 2.705 0.399 4.444
156 H ARG 22 HN ARG 22 -4.627 0.881 4.326
157 HA ARG 22 HA ARG 22 -7.054 0.178 2.871
158 HB2 ARG 22 HB2 ARG 22 -7.023 0.153 5.359
159 HB3 ARG 22 HB1 ARG 22 -6.705 1.883 5.339
160 HG2 ARG 22 HG2 ARG 22 -8.818 2.193 4.094
161 HG3 ARG 22 HG1 ARG 22 -9.141 0.472 4.318
162 HD2 ARG 22 HD2 ARG 22 -9.288 0.704 6.664
163 HD3 ARG 22 HD1 ARG 22 -8.571 2.313 6.628
164 HE ARG 22 HE ARG 22 -10.998 2.260 5.158
165 HH11 ARG 22 HH11 ARG 22 -9.768 2.242 8.435
166 HH12 ARG 22 HH12 ARG 22 -11.149 3.061 9.091
167 HH21 ARG 22 HH21 ARG 22 -12.816 3.335 6.025
168 HH22 ARG 22 HH22 ARG 22 -12.885 3.661 7.728
169 H TRP 23 HN TRP 23 -4.853 2.828 3.441
170 HA TRP 23 HA TRP 23 -6.531 4.579 1.770
171 HB2 TRP 23 HB2 TRP 23 -4.279 5.443 3.589
172 HB3 TRP 23 HB1 TRP 23 -5.487 6.465 2.820
173 HD1 TRP 23 HD1 TRP 23 -4.756 4.747 5.998
174 HE1 TRP 23 HE1 TRP 23 -6.814 4.799 7.552
175 HE3 TRP 23 HE3 TRP 23 -8.286 6.268 2.624
176 HZ2 TRP 23 HZ2 TRP 23 -9.569 5.411 7.358
177 HZ3 TRP 23 HZ3 TRP 23 -10.603 6.562 3.396
178 HH2 TRP 23 HH2 TRP 23 -11.228 6.142 5.711
179 H ARG 24 HN ARG 24 -5.654 5.621 0.043
180 HA ARG 24 HA ARG 24 -3.489 4.313 -1.271
181 HB2 ARG 24 HB2 ARG 24 -5.054 6.791 -2.000
182 HB3 ARG 24 HB1 ARG 24 -3.885 6.004 -3.052
183 HG2 ARG 24 HG2 ARG 24 -5.244 3.985 -3.071
184 HG3 ARG 24 HG1 ARG 24 -6.411 4.755 -1.994
185 HD2 ARG 24 HD2 ARG 24 -5.663 5.792 -4.723
186 HD3 ARG 24 HD1 ARG 24 -7.070 4.783 -4.396
187 HE ARG 24 HE ARG 24 -7.509 6.779 -2.708
188 HH11 ARG 24 HH11 ARG 24 -6.441 6.881 -6.040
189 HH12 ARG 24 HH12 ARG 24 -7.229 8.389 -6.380
190 HH21 ARG 24 HH21 ARG 24 -8.541 8.769 -3.153
191 HH22 ARG 24 HH22 ARG 24 -8.414 9.463 -4.739
192 H VAL 25 HN VAL 25 -3.849 7.315 0.509
193 HA VAL 25 HA VAL 25 -1.620 8.654 -0.544
194 HB VAL 25 HB VAL 25 -1.703 10.044 1.550
195 HG11 VAL 25 HG11 VAL 25 -2.951 10.658 -0.438
196 HG12 VAL 25 HG12 VAL 25 -3.881 11.044 1.010
197 HG13 VAL 25 HG13 VAL 25 -4.286 9.618 0.055
198 HG21 VAL 25 HG21 VAL 25 -3.615 9.736 3.057
199 HG22 VAL 25 HG22 VAL 25 -2.521 8.354 3.107
200 HG23 VAL 25 HG23 VAL 25 -4.036 8.245 2.213
201 H ASN 26 HN ASN 26 -1.886 6.723 2.443
202 HA ASN 26 HA ASN 26 0.909 6.945 3.002
203 HB2 ASN 26 HB2 ASN 26 0.318 4.954 4.589
204 HB3 ASN 26 HB1 ASN 26 -0.292 6.563 4.946
205 HD21 ASN 26 HD21 ASN 26 -1.160 3.525 3.377
206 HD22 ASN 26 HD22 ASN 26 -2.844 3.632 3.742
207 H PHE 27 HN PHE 27 -1.102 4.700 1.264
208 HA PHE 27 HA PHE 27 0.667 2.527 1.050
209 HB2 PHE 27 HB2 PHE 27 -1.702 2.407 0.383
210 HB3 PHE 27 HB1 PHE 27 -1.368 3.478 -0.977
211 HD1 PHE 27 HD1 PHE 27 -0.136 0.299 0.496
212 HD2 PHE 27 HD2 PHE 27 -0.974 2.511 -3.035
213 HE1 PHE 27 HE1 PHE 27 0.470 -1.655 -0.858
214 HE2 PHE 27 HE2 PHE 27 -0.368 0.554 -4.404
215 HZ PHE 27 HZ PHE 27 0.361 -1.527 -3.303
216 H ILE 28 HN ILE 28 0.163 5.277 -1.164
217 HA ILE 28 HA ILE 28 2.180 4.551 -2.988
218 HB ILE 28 HB ILE 28 1.157 7.330 -2.370
219 HG12 ILE 28 HG12 ILE 28 -0.679 5.854 -2.967
220 HG13 ILE 28 HG11 ILE 28 -0.351 6.952 -4.302
221 HG21 ILE 28 HG21 ILE 28 2.545 6.269 -4.826
222 HG22 ILE 28 HG22 ILE 28 3.241 7.363 -3.631
223 HG23 ILE 28 HG23 ILE 28 1.889 7.894 -4.630
224 HD11 ILE 28 HD11 ILE 28 0.885 5.161 -5.439
225 HD12 ILE 28 HD12 ILE 28 -0.798 4.736 -5.129
226 HD13 ILE 28 HD13 ILE 28 0.481 4.066 -4.116
227 H ARG 29 HN ARG 29 2.250 6.369 0.003
228 HA ARG 29 HA ARG 29 4.898 7.340 -0.193
229 HB2 ARG 29 HB2 ARG 29 3.066 8.055 1.441
230 HB3 ARG 29 HB1 ARG 29 3.475 6.617 2.364
231 HG2 ARG 29 HG2 ARG 29 5.802 7.441 2.559
232 HG3 ARG 29 HG1 ARG 29 5.305 8.928 1.747
233 HD2 ARG 29 HD2 ARG 29 5.330 9.223 4.165
234 HD3 ARG 29 HD1 ARG 29 3.691 9.364 3.528
235 HE ARG 29 HE ARG 29 4.590 6.797 4.630
236 HH11 ARG 29 HH11 ARG 29 2.537 9.615 4.842
237 HH12 ARG 29 HH12 ARG 29 1.480 8.915 6.023
238 HH21 ARG 29 HH21 ARG 29 3.221 5.867 6.187
239 HH22 ARG 29 HH22 ARG 29 1.872 6.775 6.797
240 H HIS 30 HN HIS 30 3.486 4.391 1.131
241 HA HIS 30 HA HIS 30 5.867 3.284 2.169
242 HB2 HIS 30 HB2 HIS 30 3.731 2.461 2.911
243 HB3 HIS 30 HB1 HIS 30 3.270 2.027 1.272
244 HD1 HIS 30 HD1 HIS 30 6.000 0.990 3.764
245 HD2 HIS 30 HD2 HIS 30 3.557 -0.563 0.784
246 HE1 HIS 30 HE1 HIS 30 6.443 -1.507 3.696
247 H LEU 31 HN LEU 31 4.290 3.052 -0.978
248 HA LEU 31 HA LEU 31 6.125 1.183 -2.070
249 HB2 LEU 31 HB2 LEU 31 4.043 2.998 -3.184
250 HB3 LEU 31 HB1 LEU 31 5.218 2.311 -4.286
251 HG LEU 31 HG LEU 31 3.068 1.036 -4.135
252 HD11 LEU 31 HD11 LEU 31 5.103 -0.034 -4.927
253 HD12 LEU 31 HD12 LEU 31 4.118 -1.166 -4.001
254 HD13 LEU 31 HD13 LEU 31 5.550 -0.442 -3.269
255 HD21 LEU 31 HD21 LEU 31 2.630 1.322 -1.753
256 HD22 LEU 31 HD22 LEU 31 4.061 0.368 -1.364
257 HD23 LEU 31 HD23 LEU 31 2.692 -0.387 -2.182
258 H ARG 32 HN ARG 32 6.196 4.620 -1.633
259 HA ARG 32 HA ARG 32 8.336 5.204 -3.406
260 HB2 ARG 32 HB2 ARG 32 6.906 6.964 -2.468
261 HB3 ARG 32 HB1 ARG 32 7.479 6.583 -0.852
262 HG2 ARG 32 HG2 ARG 32 9.781 7.202 -1.621
263 HG3 ARG 32 HG1 ARG 32 9.049 7.782 -3.118
264 HD2 ARG 32 HD2 ARG 32 8.355 8.762 -0.350
265 HD3 ARG 32 HD1 ARG 32 9.442 9.581 -1.469
266 HE ARG 32 HE ARG 32 6.939 9.136 -2.702
267 HH11 ARG 32 HH11 ARG 32 8.444 11.106 -0.240
268 HH12 ARG 32 HH12 ARG 32 7.365 12.443 -0.463
269 HH21 ARG 32 HH21 ARG 32 5.510 10.893 -3.002
270 HH22 ARG 32 HH22 ARG 32 5.690 12.318 -2.032
271 H SER 33 HN SER 33 8.121 3.741 -0.293
272 HA SER 33 HA SER 33 10.805 4.275 0.536
273 HB2 SER 33 HB2 SER 33 8.827 3.866 2.067
274 HB3 SER 33 HB1 SER 33 8.945 2.163 1.635
275 HG SER 33 HG SER 33 11.007 3.729 2.823
276 H ARG 34 HN ARG 34 9.715 2.358 -1.885
277 HA ARG 34 HA ARG 34 11.318 0.024 -1.533
278 HB2 ARG 34 HB2 ARG 34 10.182 1.316 -4.018
279 HB3 ARG 34 HB1 ARG 34 11.066 -0.202 -4.033
280 HG2 ARG 34 HG2 ARG 34 9.382 -1.220 -2.610
281 HG3 ARG 34 HG1 ARG 34 8.506 0.310 -2.534
282 HD2 ARG 34 HD2 ARG 34 9.058 -1.275 -5.041
283 HD3 ARG 34 HD1 ARG 34 7.523 -1.231 -4.174
284 HE ARG 34 HE ARG 34 8.289 1.397 -4.810
285 HH11 ARG 34 HH11 ARG 34 7.171 -1.524 -6.384
286 HH12 ARG 34 HH12 ARG 34 6.403 -0.680 -7.690
287 HH21 ARG 34 HH21 ARG 34 7.314 2.515 -6.544
288 HH22 ARG 34 HH22 ARG 34 6.501 1.623 -7.792
289 H ARG 35 HN ARG 35 11.931 3.261 -2.428
290 HA ARG 35 HA ARG 35 14.482 2.745 -3.686
291 HB2 ARG 35 HB2 ARG 35 12.990 4.660 -4.290
292 HB3 ARG 35 HB1 ARG 35 13.302 5.352 -2.707
293 HG2 ARG 35 HG2 ARG 35 15.674 5.544 -3.259
294 HG3 ARG 35 HG1 ARG 35 15.356 4.847 -4.850
295 HD2 ARG 35 HD2 ARG 35 13.874 6.699 -5.384
296 HD3 ARG 35 HD1 ARG 35 14.135 7.386 -3.784
297 HE ARG 35 HE ARG 35 16.632 7.260 -4.743
298 HH11 ARG 35 HH11 ARG 35 13.672 8.446 -6.168
299 HH12 ARG 35 HH12 ARG 35 14.451 9.696 -7.078
300 HH21 ARG 35 HH21 ARG 35 17.681 8.884 -5.952
301 HH22 ARG 35 HH22 ARG 35 16.744 9.941 -6.958
302 H GLU 36 HN GLU 36 13.338 2.755 -0.565
303 HA GLU 36 HA GLU 36 15.890 3.626 0.592
304 HB2 GLU 36 HB2 GLU 36 13.293 2.972 1.999
305 HB3 GLU 36 HB1 GLU 36 14.727 3.679 2.729
306 HG2 GLU 36 HG2 GLU 36 14.440 5.648 1.241
307 HG3 GLU 36 HG1 GLU 36 12.917 4.948 0.692
308 H GLN 37 HN GLN 37 15.106 1.035 -0.815
309 HA GLN 37 HA GLN 37 15.723 -0.857 1.351
310 HB2 GLN 37 HB2 GLN 37 14.454 -1.372 -1.342
311 HB3 GLN 37 HB1 GLN 37 14.763 -2.586 -0.113
312 HG2 GLN 37 HG2 GLN 37 13.205 -1.487 1.391
313 HG3 GLN 37 HG1 GLN 37 12.914 -0.232 0.187
314 HE21 GLN 37 HE21 GLN 37 13.019 -2.159 -2.021
315 HE22 GLN 37 HE22 GLN 37 11.522 -3.023 -1.970
316 H LYS 38 HN LYS 38 17.040 -2.731 0.692
317 HA LYS 38 HA LYS 38 19.197 -1.904 -1.104
318 HB2 LYS 38 HB2 LYS 38 20.401 -3.889 -0.064
319 HB3 LYS 38 HB1 LYS 38 20.076 -2.527 0.996
320 HG2 LYS 38 HG2 LYS 38 18.246 -3.684 2.024
321 HG3 LYS 38 HG1 LYS 38 18.368 -5.002 0.859
322 HD2 LYS 38 HD2 LYS 38 20.615 -4.244 2.713
323 HD3 LYS 38 HD1 LYS 38 19.379 -5.428 3.143
324 HE2 LYS 38 HE2 LYS 38 21.168 -5.599 0.720
325 HE3 LYS 38 HE1 LYS 38 21.441 -6.452 2.237
326 HZ1 LYS 38 HZ1 LYS 38 20.345 -7.845 0.568
327 HZ2 LYS 38 HZ2 LYS 38 19.037 -6.771 0.522
328 HZ3 LYS 38 HZ3 LYS 38 19.374 -7.627 1.936
329 HA PRO 39 HA PRO 39 17.630 -4.203 -4.478
330 HB2 PRO 39 HB2 PRO 39 20.489 -4.963 -4.885
331 HB3 PRO 39 HB1 PRO 39 19.322 -4.306 -6.038
332 HG2 PRO 39 HG2 PRO 39 21.207 -2.755 -4.969
333 HG3 PRO 39 HG1 PRO 39 19.570 -2.140 -5.261
334 HD2 PRO 39 HD2 PRO 39 20.883 -2.891 -2.705
335 HD3 PRO 39 HD1 PRO 39 19.637 -1.669 -3.023
336 H HIS 40 HN HIS 40 20.444 -5.994 -3.223
337 HA HIS 40 HA HIS 40 18.813 -8.204 -2.391
338 HB2 HIS 40 HB2 HIS 40 18.933 -8.553 -4.855
339 HB3 HIS 40 HB1 HIS 40 20.686 -8.620 -4.730
340 HD1 HIS 40 HD1 HIS 40 17.596 -10.599 -4.025
341 HD2 HIS 40 HD2 HIS 40 21.718 -11.017 -3.703
342 HE1 HIS 40 HE1 HIS 40 17.996 -13.036 -3.557
343 HE2 HIS 40 HE2 HIS 40 20.476 -13.221 -3.181
344 H LYS 41 HN LYS 41 22.113 -7.444 -3.465
345 HA LYS 41 HA LYS 41 24.153 -7.811 -2.575
346 HB2 LYS 41 HB2 LYS 41 23.320 -6.483 -0.669
347 HB3 LYS 41 HB1 LYS 41 22.689 -7.948 0.072
348 HG2 LYS 41 HG2 LYS 41 25.010 -8.837 0.139
349 HG3 LYS 41 HG1 LYS 41 25.577 -7.274 -0.444
350 HD2 LYS 41 HD2 LYS 41 24.709 -6.179 1.522
351 HD3 LYS 41 HD1 LYS 41 23.988 -7.688 2.083
352 HE2 LYS 41 HE2 LYS 41 26.934 -7.145 1.731
353 HE3 LYS 41 HE1 LYS 41 26.070 -7.222 3.265
354 HZ1 LYS 41 HZ1 LYS 41 25.555 -9.544 2.809
355 HZ2 LYS 41 HZ2 LYS 41 27.225 -9.290 2.803
356 HZ3 LYS 41 HZ3 LYS 41 26.396 -9.466 1.345
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 -19.172 -13.154 6.182
2 H2 GLY 1 HT2 GLY 1 -20.599 -13.307 5.288
3 H3 GLY 1 HT3 GLY 1 -20.661 -13.263 6.977
4 HA2 GLY 1 HA1 GLY 1 -19.868 -10.989 6.985
5 HA3 GLY 1 HA2 GLY 1 -19.776 -11.037 5.230
6 H ALA 2 HN ALA 2 -22.127 -11.716 7.818
7 HA ALA 2 HA ALA 2 -24.314 -10.926 6.083
8 HB1 ALA 2 HB1 ALA 2 -24.587 -12.859 7.551
9 HB2 ALA 2 HB2 ALA 2 -25.747 -11.593 7.947
10 HB3 ALA 2 HB3 ALA 2 -24.325 -11.832 8.960
11 H MET 3 HN MET 3 -24.902 -8.891 5.893
12 HA MET 3 HA MET 3 -25.471 -6.746 6.349
13 HB2 MET 3 HB2 MET 3 -25.020 -7.530 9.231
14 HB3 MET 3 HB1 MET 3 -25.620 -5.959 8.719
15 HG2 MET 3 HG2 MET 3 -27.583 -7.000 7.748
16 HG3 MET 3 HG1 MET 3 -26.972 -8.595 8.182
17 HE1 MET 3 HE1 MET 3 -27.123 -8.516 12.085
18 HE2 MET 3 HE2 MET 3 -25.739 -8.057 11.094
19 HE3 MET 3 HE3 MET 3 -26.712 -9.460 10.653
20 H GLU 4 HN GLU 4 -22.654 -7.858 8.176
21 HA GLU 4 HA GLU 4 -21.200 -5.502 7.190
22 HB2 GLU 4 HB2 GLU 4 -20.875 -6.815 9.899
23 HB3 GLU 4 HB1 GLU 4 -19.901 -5.486 9.284
24 HG2 GLU 4 HG2 GLU 4 -21.921 -4.087 9.180
25 HG3 GLU 4 HG1 GLU 4 -22.852 -5.415 9.869
26 H VAL 5 HN VAL 5 -19.144 -5.874 6.451
27 HA VAL 5 HA VAL 5 -18.364 -8.709 6.250
28 HB VAL 5 HB VAL 5 -17.217 -8.067 4.119
29 HG11 VAL 5 HG11 VAL 5 -19.396 -9.159 4.095
30 HG12 VAL 5 HG12 VAL 5 -19.256 -8.004 2.770
31 HG13 VAL 5 HG13 VAL 5 -20.194 -7.589 4.204
32 HG21 VAL 5 HG21 VAL 5 -16.998 -5.672 4.512
33 HG22 VAL 5 HG22 VAL 5 -18.751 -5.493 4.473
34 HG23 VAL 5 HG23 VAL 5 -17.882 -5.977 3.018
35 H GLN 6 HN GLN 6 -16.015 -9.080 6.018
36 HA GLN 6 HA GLN 6 -14.619 -7.421 7.958
37 HB2 GLN 6 HB2 GLN 6 -13.984 -10.103 6.729
38 HB3 GLN 6 HB1 GLN 6 -12.864 -9.253 7.782
39 HG2 GLN 6 HG2 GLN 6 -14.010 -10.844 9.106
40 HG3 GLN 6 HG1 GLN 6 -14.637 -9.258 9.542
41 HE21 GLN 6 HE21 GLN 6 -16.569 -10.006 10.321
42 HE22 GLN 6 HE22 GLN 6 -17.795 -10.687 9.314
43 H THR 7 HN THR 7 -15.040 -6.122 5.593
44 HA THR 7 HA THR 7 -12.366 -5.363 4.922
45 HB THR 7 HB THR 7 -12.630 -7.251 3.363
46 HG1 THR 7 HG1 THR 7 -11.900 -6.134 1.613
47 HG21 THR 7 HG21 THR 7 -15.001 -5.704 2.311
48 HG22 THR 7 HG22 THR 7 -15.047 -7.271 3.119
49 HG23 THR 7 HG23 THR 7 -14.285 -7.116 1.536
50 H SER 8 HN SER 8 -12.293 -3.304 4.056
51 HA SER 8 HA SER 8 -14.604 -1.679 4.430
52 HB2 SER 8 HB2 SER 8 -12.955 0.073 3.417
53 HB3 SER 8 HB1 SER 8 -12.609 -0.619 5.004
54 HG SER 8 HG SER 8 -10.978 -0.598 3.045
55 H GLN 9 HN GLN 9 -12.537 -2.188 1.562
56 HA GLN 9 HA GLN 9 -14.698 -2.736 -0.164
57 HB2 GLN 9 HB2 GLN 9 -14.424 -0.686 -1.632
58 HB3 GLN 9 HB1 GLN 9 -15.307 -0.457 -0.133
59 HG2 GLN 9 HG2 GLN 9 -13.389 0.577 0.892
60 HG3 GLN 9 HG1 GLN 9 -12.409 0.241 -0.530
61 HE21 GLN 9 HE21 GLN 9 -14.545 0.903 -2.395
62 HE22 GLN 9 HE22 GLN 9 -14.700 2.627 -2.364
63 H LYS 10 HN LYS 10 -11.414 -1.398 0.009
64 HA LYS 10 HA LYS 10 -10.482 -3.497 -1.742
65 HB2 LYS 10 HB2 LYS 10 -9.351 -1.854 -3.280
66 HB3 LYS 10 HB1 LYS 10 -11.098 -1.947 -3.443
67 HG2 LYS 10 HG2 LYS 10 -11.290 0.086 -2.044
68 HG3 LYS 10 HG1 LYS 10 -9.532 0.197 -2.020
69 HD2 LYS 10 HD2 LYS 10 -9.476 0.478 -4.415
70 HD3 LYS 10 HD1 LYS 10 -11.217 0.212 -4.524
71 HE2 LYS 10 HE2 LYS 10 -11.583 2.228 -3.157
72 HE3 LYS 10 HE1 LYS 10 -9.842 2.502 -3.122
73 HZ1 LYS 10 HZ1 LYS 10 -11.540 2.471 -5.557
74 HZ2 LYS 10 HZ2 LYS 10 -9.871 2.731 -5.529
75 HZ3 LYS 10 HZ3 LYS 10 -10.913 3.850 -4.808
76 H SER 11 HN SER 11 -8.536 -4.148 -1.124
77 HA SER 11 HA SER 11 -7.055 -2.471 0.762
78 HB2 SER 11 HB2 SER 11 -6.794 -5.437 0.193
79 HB3 SER 11 HB1 SER 11 -5.941 -4.544 1.452
80 HG SER 11 HG SER 11 -8.622 -4.140 1.581
81 H TYR 12 HN TYR 12 -4.958 -1.919 0.401
82 HA TYR 12 HA TYR 12 -4.003 -2.294 -2.351
83 HB2 TYR 12 HB2 TYR 12 -3.085 -0.370 -0.207
84 HB3 TYR 12 HB1 TYR 12 -2.529 -0.386 -1.876
85 HD1 TYR 12 HD1 TYR 12 -5.352 0.363 0.349
86 HD2 TYR 12 HD2 TYR 12 -3.866 0.591 -3.625
87 HE1 TYR 12 HE1 TYR 12 -7.169 1.900 -0.230
88 HE2 TYR 12 HE2 TYR 12 -5.686 2.134 -4.221
89 HH TYR 12 HH TYR 12 -7.745 3.555 -1.837
90 H VAL 13 HN VAL 13 -2.493 -3.805 -2.679
91 HA VAL 13 HA VAL 13 -0.988 -4.772 -0.342
92 HB VAL 13 HB VAL 13 -1.337 -6.198 -2.978
93 HG11 VAL 13 HG11 VAL 13 -0.519 -7.182 -0.247
94 HG12 VAL 13 HG12 VAL 13 0.539 -6.962 -1.640
95 HG13 VAL 13 HG13 VAL 13 -0.730 -8.185 -1.682
96 HG21 VAL 13 HG21 VAL 13 -2.996 -6.519 -0.482
97 HG22 VAL 13 HG22 VAL 13 -3.097 -7.521 -1.927
98 HG23 VAL 13 HG23 VAL 13 -3.541 -5.816 -2.003
99 H CYS 14 HN CYS 14 1.074 -4.115 -0.219
100 HA CYS 14 HA CYS 14 2.578 -3.300 -2.525
101 HB2 CYS 14 HB2 CYS 14 3.155 -2.334 -0.378
102 HB3 CYS 14 HB1 CYS 14 3.440 -3.928 0.309
103 HA PRO 15 HA PRO 15 3.286 -7.500 -3.785
104 HB2 PRO 15 HB2 PRO 15 5.013 -6.962 -5.821
105 HB3 PRO 15 HB1 PRO 15 3.265 -6.742 -5.945
106 HG2 PRO 15 HG2 PRO 15 5.395 -4.711 -5.399
107 HG3 PRO 15 HG1 PRO 15 3.982 -4.593 -6.466
108 HD2 PRO 15 HD2 PRO 15 4.025 -3.477 -4.011
109 HD3 PRO 15 HD1 PRO 15 2.541 -4.150 -4.716
110 H ASN 16 HN ASN 16 5.680 -5.349 -2.590
111 HA ASN 16 HA ASN 16 7.792 -7.347 -2.690
112 HB2 ASN 16 HB2 ASN 16 8.275 -4.949 -3.162
113 HB3 ASN 16 HB1 ASN 16 7.858 -4.571 -1.495
114 HD21 ASN 16 HD21 ASN 16 9.588 -7.449 -2.523
115 HD22 ASN 16 HD22 ASN 16 11.090 -7.034 -1.780
116 H CYS 17 HN CYS 17 5.565 -5.958 -0.364
117 HA CYS 17 HA CYS 17 7.045 -7.309 1.800
118 HB2 CYS 17 HB2 CYS 17 5.187 -4.950 2.092
119 HB3 CYS 17 HB1 CYS 17 6.248 -5.629 3.321
120 H GLY 18 HN GLY 18 4.073 -7.263 0.118
121 HA2 GLY 18 HA2 GLY 18 2.089 -8.389 0.475
122 HA3 GLY 18 HA1 GLY 18 2.845 -9.177 1.856
123 H LYS 19 HN LYS 19 3.054 -5.807 1.806
124 HA LYS 19 HA LYS 19 1.524 -5.593 4.231
125 HB2 LYS 19 HB2 LYS 19 3.733 -4.386 3.580
126 HB3 LYS 19 HB1 LYS 19 2.694 -3.291 2.682
127 HG2 LYS 19 HG2 LYS 19 3.073 -2.259 4.749
128 HG3 LYS 19 HG1 LYS 19 1.442 -2.928 4.853
129 HD2 LYS 19 HD2 LYS 19 2.366 -4.893 6.027
130 HD3 LYS 19 HD1 LYS 19 3.959 -4.145 5.983
131 HE2 LYS 19 HE2 LYS 19 3.165 -2.291 7.313
132 HE3 LYS 19 HE1 LYS 19 1.528 -2.941 7.295
133 HZ1 LYS 19 HZ1 LYS 19 3.883 -4.267 8.519
134 HZ2 LYS 19 HZ2 LYS 19 2.298 -4.852 8.534
135 HZ3 LYS 19 HZ3 LYS 19 2.682 -3.432 9.364
136 H ILE 20 HN ILE 20 -0.569 -4.982 4.366
137 HA ILE 20 HA ILE 20 -1.821 -3.996 1.902
138 HB ILE 20 HB ILE 20 -3.963 -4.802 2.804
139 HG12 ILE 20 HG12 ILE 20 -2.284 -6.025 5.007
140 HG13 ILE 20 HG11 ILE 20 -3.373 -4.657 5.210
141 HG21 ILE 20 HG21 ILE 20 -1.816 -6.917 2.728
142 HG22 ILE 20 HG22 ILE 20 -2.600 -6.198 1.325
143 HG23 ILE 20 HG23 ILE 20 -3.541 -7.168 2.456
144 HD11 ILE 20 HD11 ILE 20 -4.407 -6.699 5.986
145 HD12 ILE 20 HD12 ILE 20 -4.158 -7.447 4.409
146 HD13 ILE 20 HD13 ILE 20 -5.259 -6.079 4.574
147 H PHE 21 HN PHE 21 -2.734 -2.082 1.817
148 HA PHE 21 HA PHE 21 -3.002 -0.531 4.297
149 HB2 PHE 21 HB2 PHE 21 -2.099 0.346 1.549
150 HB3 PHE 21 HB1 PHE 21 -2.583 1.479 2.805
151 HD1 PHE 21 HD1 PHE 21 -0.080 -1.024 1.821
152 HD2 PHE 21 HD2 PHE 21 -1.146 1.972 4.646
153 HE1 PHE 21 HE1 PHE 21 2.205 -1.070 2.724
154 HE2 PHE 21 HE2 PHE 21 1.135 1.927 5.556
155 HZ PHE 21 HZ PHE 21 2.808 0.416 4.613
156 H ARG 22 HN ARG 22 -4.785 0.889 4.394
157 HA ARG 22 HA ARG 22 -6.973 0.050 2.648
158 HB2 ARG 22 HB2 ARG 22 -7.216 -0.093 5.132
159 HB3 ARG 22 HB1 ARG 22 -7.113 1.663 5.195
160 HG2 ARG 22 HG2 ARG 22 -9.101 1.857 3.843
161 HG3 ARG 22 HG1 ARG 22 -9.179 0.101 3.684
162 HD2 ARG 22 HD2 ARG 22 -9.327 1.586 6.304
163 HD3 ARG 22 HD1 ARG 22 -10.732 1.032 5.397
164 HE ARG 22 HE ARG 22 -8.750 -0.985 6.080
165 HH11 ARG 22 HH11 ARG 22 -11.806 0.527 6.877
166 HH12 ARG 22 HH12 ARG 22 -12.347 -0.798 7.857
167 HH21 ARG 22 HH21 ARG 22 -9.467 -2.732 7.336
168 HH22 ARG 22 HH22 ARG 22 -11.025 -2.667 8.098
169 H TRP 23 HN TRP 23 -4.923 2.720 3.320
170 HA TRP 23 HA TRP 23 -6.635 4.500 1.714
171 HB2 TRP 23 HB2 TRP 23 -4.348 5.286 3.531
172 HB3 TRP 23 HB1 TRP 23 -5.497 6.366 2.747
173 HD1 TRP 23 HD1 TRP 23 -4.964 4.418 5.873
174 HE1 TRP 23 HE1 TRP 23 -7.037 4.594 7.396
175 HE3 TRP 23 HE3 TRP 23 -8.236 6.522 2.550
176 HZ2 TRP 23 HZ2 TRP 23 -9.700 5.514 7.203
177 HZ3 TRP 23 HZ3 TRP 23 -10.524 7.016 3.310
178 HH2 TRP 23 HH2 TRP 23 -11.237 6.522 5.585
179 H ARG 24 HN ARG 24 -5.767 5.611 -0.013
180 HA ARG 24 HA ARG 24 -3.693 4.247 -1.416
181 HB2 ARG 24 HB2 ARG 24 -5.656 5.238 -2.539
182 HB3 ARG 24 HB1 ARG 24 -5.092 6.839 -2.091
183 HG2 ARG 24 HG2 ARG 24 -4.541 6.413 -4.387
184 HG3 ARG 24 HG1 ARG 24 -3.055 6.463 -3.437
185 HD2 ARG 24 HD2 ARG 24 -2.991 4.028 -3.384
186 HD3 ARG 24 HD1 ARG 24 -4.503 3.955 -4.287
187 HE ARG 24 HE ARG 24 -2.438 5.428 -5.637
188 HH11 ARG 24 HH11 ARG 24 -3.763 2.240 -5.054
189 HH12 ARG 24 HH12 ARG 24 -3.113 1.561 -6.509
190 HH21 ARG 24 HH21 ARG 24 -1.554 4.522 -7.554
191 HH22 ARG 24 HH22 ARG 24 -1.862 2.855 -7.928
192 H VAL 25 HN VAL 25 -3.867 7.253 0.411
193 HA VAL 25 HA VAL 25 -1.573 8.460 -0.705
194 HB VAL 25 HB VAL 25 -1.594 9.928 1.335
195 HG11 VAL 25 HG11 VAL 25 -2.809 10.506 -0.703
196 HG12 VAL 25 HG12 VAL 25 -3.672 11.054 0.736
197 HG13 VAL 25 HG13 VAL 25 -4.212 9.612 -0.122
198 HG21 VAL 25 HG21 VAL 25 -3.993 8.244 2.050
199 HG22 VAL 25 HG22 VAL 25 -3.571 9.775 2.811
200 HG23 VAL 25 HG23 VAL 25 -2.494 8.390 2.968
201 H ASN 26 HN ASN 26 -1.987 6.648 2.326
202 HA ASN 26 HA ASN 26 0.767 6.844 2.994
203 HB2 ASN 26 HB2 ASN 26 0.221 5.113 4.736
204 HB3 ASN 26 HB1 ASN 26 -0.718 6.589 4.824
205 HD21 ASN 26 HD21 ASN 26 -1.169 3.749 2.743
206 HD22 ASN 26 HD22 ASN 26 -2.739 3.370 3.344
207 H PHE 27 HN PHE 27 -1.075 4.729 1.031
208 HA PHE 27 HA PHE 27 0.682 2.489 0.984
209 HB2 PHE 27 HB2 PHE 27 -1.643 2.339 0.212
210 HB3 PHE 27 HB1 PHE 27 -1.285 3.457 -1.102
211 HD1 PHE 27 HD1 PHE 27 -0.098 0.208 0.298
212 HD2 PHE 27 HD2 PHE 27 -0.762 2.605 -3.150
213 HE1 PHE 27 HE1 PHE 27 0.546 -1.683 -1.137
214 HE2 PHE 27 HE2 PHE 27 -0.120 0.723 -4.591
215 HZ PHE 27 HZ PHE 27 0.610 -1.426 -3.533
216 H ILE 28 HN ILE 28 0.257 5.269 -1.198
217 HA ILE 28 HA ILE 28 2.365 4.622 -2.944
218 HB ILE 28 HB ILE 28 1.200 7.334 -2.283
219 HG12 ILE 28 HG12 ILE 28 -0.473 5.790 -3.143
220 HG13 ILE 28 HG11 ILE 28 -0.092 6.995 -4.368
221 HG21 ILE 28 HG21 ILE 28 2.120 8.077 -4.421
222 HG22 ILE 28 HG22 ILE 28 2.881 6.503 -4.644
223 HG23 ILE 28 HG23 ILE 28 3.397 7.552 -3.325
224 HD11 ILE 28 HD11 ILE 28 -0.304 4.826 -5.385
225 HD12 ILE 28 HD12 ILE 28 0.896 4.154 -4.282
226 HD13 ILE 28 HD13 ILE 28 1.376 5.358 -5.478
227 H ARG 29 HN ARG 29 2.261 6.363 0.088
228 HA ARG 29 HA ARG 29 4.859 7.395 0.164
229 HB2 ARG 29 HB2 ARG 29 3.097 7.960 1.791
230 HB3 ARG 29 HB1 ARG 29 3.156 6.325 2.425
231 HG2 ARG 29 HG2 ARG 29 5.422 6.667 3.208
232 HG3 ARG 29 HG1 ARG 29 5.433 8.292 2.519
233 HD2 ARG 29 HD2 ARG 29 3.703 9.003 4.020
234 HD3 ARG 29 HD1 ARG 29 3.480 7.360 4.616
235 HE ARG 29 HE ARG 29 6.017 7.754 5.264
236 HH11 ARG 29 HH11 ARG 29 3.294 9.930 5.590
237 HH12 ARG 29 HH12 ARG 29 3.908 10.696 7.018
238 HH21 ARG 29 HH21 ARG 29 6.827 8.754 7.147
239 HH22 ARG 29 HH22 ARG 29 5.921 10.024 7.909
240 H HIS 30 HN HIS 30 3.598 4.279 1.274
241 HA HIS 30 HA HIS 30 6.038 3.223 2.215
242 HB2 HIS 30 HB2 HIS 30 3.961 2.302 2.973
243 HB3 HIS 30 HB1 HIS 30 3.447 1.945 1.334
244 HD1 HIS 30 HD1 HIS 30 6.447 0.843 3.479
245 HD2 HIS 30 HD2 HIS 30 3.549 -0.656 0.905
246 HE1 HIS 30 HE1 HIS 30 6.793 -1.670 3.386
247 H LEU 31 HN LEU 31 4.450 3.131 -0.918
248 HA LEU 31 HA LEU 31 6.335 1.303 -2.070
249 HB2 LEU 31 HB2 LEU 31 4.007 2.865 -3.052
250 HB3 LEU 31 HB1 LEU 31 5.179 2.326 -4.237
251 HG LEU 31 HG LEU 31 3.240 0.793 -3.988
252 HD11 LEU 31 HD11 LEU 31 5.897 -0.375 -3.177
253 HD12 LEU 31 HD12 LEU 31 5.373 -0.036 -4.827
254 HD13 LEU 31 HD13 LEU 31 4.541 -1.263 -3.871
255 HD21 LEU 31 HD21 LEU 31 4.390 0.289 -1.248
256 HD22 LEU 31 HD22 LEU 31 3.083 -0.619 -2.009
257 HD23 LEU 31 HD23 LEU 31 2.852 1.080 -1.596
258 H ARG 32 HN ARG 32 6.153 4.740 -1.692
259 HA ARG 32 HA ARG 32 7.916 5.503 -3.757
260 HB2 ARG 32 HB2 ARG 32 6.514 7.116 -2.536
261 HB3 ARG 32 HB1 ARG 32 7.453 6.829 -1.078
262 HG2 ARG 32 HG2 ARG 32 9.441 7.729 -2.167
263 HG3 ARG 32 HG1 ARG 32 8.514 7.999 -3.643
264 HD2 ARG 32 HD2 ARG 32 8.745 10.059 -2.353
265 HD3 ARG 32 HD1 ARG 32 7.059 9.553 -2.461
266 HE ARG 32 HE ARG 32 8.447 8.662 -0.086
267 HH11 ARG 32 HH11 ARG 32 6.507 11.190 -1.536
268 HH12 ARG 32 HH12 ARG 32 5.911 11.781 -0.018
269 HH21 ARG 32 HH21 ARG 32 7.678 9.444 1.911
270 HH22 ARG 32 HH22 ARG 32 6.570 10.779 1.945
271 H SER 33 HN SER 33 8.431 4.390 -0.469
272 HA SER 33 HA SER 33 11.310 4.625 -0.701
273 HB2 SER 33 HB2 SER 33 9.644 3.314 1.466
274 HB3 SER 33 HB1 SER 33 11.359 3.717 1.564
275 HG SER 33 HG SER 33 9.596 5.227 2.446
276 H ARG 34 HN ARG 34 10.300 3.119 -2.737
277 HA ARG 34 HA ARG 34 9.922 0.396 -2.321
278 HB2 ARG 34 HB2 ARG 34 9.468 1.750 -4.417
279 HB3 ARG 34 HB1 ARG 34 11.181 1.605 -4.779
280 HG2 ARG 34 HG2 ARG 34 11.015 -0.765 -4.972
281 HG3 ARG 34 HG1 ARG 34 9.357 -0.749 -4.367
282 HD2 ARG 34 HD2 ARG 34 10.341 0.448 -6.955
283 HD3 ARG 34 HD1 ARG 34 9.363 -1.009 -6.776
284 HE ARG 34 HE ARG 34 8.230 1.432 -5.681
285 HH11 ARG 34 HH11 ARG 34 8.383 -0.779 -8.386
286 HH12 ARG 34 HH12 ARG 34 6.881 -0.249 -9.070
287 HH21 ARG 34 HH21 ARG 34 6.247 2.133 -6.575
288 HH22 ARG 34 HH22 ARG 34 5.663 1.401 -8.036
289 H ARG 35 HN ARG 35 11.255 -1.388 -2.576
290 HA ARG 35 HA ARG 35 13.072 -2.655 -2.146
291 HB2 ARG 35 HB2 ARG 35 14.172 -1.364 -3.991
292 HB3 ARG 35 HB1 ARG 35 14.754 -0.227 -2.786
293 HG2 ARG 35 HG2 ARG 35 16.134 -1.874 -1.773
294 HG3 ARG 35 HG1 ARG 35 15.402 -3.159 -2.736
295 HD2 ARG 35 HD2 ARG 35 17.003 -0.856 -3.840
296 HD3 ARG 35 HD1 ARG 35 17.620 -2.487 -3.577
297 HE ARG 35 HE ARG 35 15.426 -2.848 -5.155
298 HH11 ARG 35 HH11 ARG 35 18.325 -0.917 -5.414
299 HH12 ARG 35 HH12 ARG 35 18.389 -1.011 -7.143
300 HH21 ARG 35 HH21 ARG 35 15.494 -2.959 -7.443
301 HH22 ARG 35 HH22 ARG 35 16.775 -2.158 -8.296
302 H GLU 36 HN GLU 36 11.655 -1.674 -0.203
303 HA GLU 36 HA GLU 36 12.928 -0.238 1.829
304 HB2 GLU 36 HB2 GLU 36 10.922 -2.476 2.183
305 HB3 GLU 36 HB1 GLU 36 11.247 -1.171 3.310
306 HG2 GLU 36 HG2 GLU 36 9.353 -0.372 2.367
307 HG3 GLU 36 HG1 GLU 36 10.523 0.313 1.244
308 H GLN 37 HN GLN 37 12.709 -3.715 1.248
309 HA GLN 37 HA GLN 37 13.997 -5.475 1.830
310 HB2 GLN 37 HB2 GLN 37 16.004 -3.377 2.667
311 HB3 GLN 37 HB1 GLN 37 16.329 -5.102 2.589
312 HG2 GLN 37 HG2 GLN 37 15.909 -5.081 0.188
313 HG3 GLN 37 HG1 GLN 37 15.569 -3.351 0.262
314 HE21 GLN 37 HE21 GLN 37 18.020 -5.802 0.429
315 HE22 GLN 37 HE22 GLN 37 19.378 -4.741 0.288
316 H LYS 38 HN LYS 38 14.938 -6.600 3.721
317 HA LYS 38 HA LYS 38 13.472 -5.812 6.116
318 HB2 LYS 38 HB2 LYS 38 13.209 -8.114 5.186
319 HB3 LYS 38 HB1 LYS 38 14.894 -8.419 5.558
320 HG2 LYS 38 HG2 LYS 38 13.570 -9.387 7.278
321 HG3 LYS 38 HG1 LYS 38 14.382 -7.974 7.952
322 HD2 LYS 38 HD2 LYS 38 12.365 -6.660 7.723
323 HD3 LYS 38 HD1 LYS 38 11.547 -8.003 6.923
324 HE2 LYS 38 HE2 LYS 38 12.582 -8.005 9.756
325 HE3 LYS 38 HE1 LYS 38 10.898 -7.805 9.278
326 HZ1 LYS 38 HZ1 LYS 38 10.942 -10.012 8.310
327 HZ2 LYS 38 HZ2 LYS 38 11.374 -10.076 9.943
328 HZ3 LYS 38 HZ3 LYS 38 12.563 -10.206 8.752
329 HA PRO 39 HA PRO 39 17.915 -6.043 7.874
330 HB2 PRO 39 HB2 PRO 39 20.019 -6.544 6.288
331 HB3 PRO 39 HB1 PRO 39 19.041 -7.851 6.967
332 HG2 PRO 39 HG2 PRO 39 18.960 -6.655 4.225
333 HG3 PRO 39 HG1 PRO 39 18.888 -8.360 4.703
334 HD2 PRO 39 HD2 PRO 39 16.691 -6.870 4.063
335 HD3 PRO 39 HD1 PRO 39 16.656 -8.262 5.157
336 H HIS 40 HN HIS 40 17.464 -3.812 8.008
337 HA HIS 40 HA HIS 40 18.684 -2.132 5.930
338 HB2 HIS 40 HB2 HIS 40 17.268 -0.299 6.795
339 HB3 HIS 40 HB1 HIS 40 16.324 -1.673 6.241
340 HD1 HIS 40 HD1 HIS 40 14.626 -2.564 7.838
341 HD2 HIS 40 HD2 HIS 40 17.441 -0.154 9.725
342 HE1 HIS 40 HE1 HIS 40 13.808 -2.286 10.197
343 HE2 HIS 40 HE2 HIS 40 15.586 -0.926 11.350
344 H LYS 41 HN LYS 41 20.081 -3.470 8.186
345 HA LYS 41 HA LYS 41 21.161 -1.052 9.467
346 HB2 LYS 41 HB2 LYS 41 20.194 -2.720 11.046
347 HB3 LYS 41 HB1 LYS 41 21.359 -3.901 10.465
348 HG2 LYS 41 HG2 LYS 41 23.191 -2.570 11.293
349 HG3 LYS 41 HG1 LYS 41 22.081 -1.288 11.771
350 HD2 LYS 41 HD2 LYS 41 22.663 -2.537 13.727
351 HD3 LYS 41 HD1 LYS 41 20.989 -2.907 13.321
352 HE2 LYS 41 HE2 LYS 41 21.701 -4.990 12.264
353 HE3 LYS 41 HE1 LYS 41 23.382 -4.616 12.646
354 HZ1 LYS 41 HZ1 LYS 41 22.537 -6.127 14.272
355 HZ2 LYS 41 HZ2 LYS 41 21.195 -5.148 14.581
356 HZ3 LYS 41 HZ3 LYS 41 22.740 -4.625 15.017
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 -7.707 -14.789 3.089
2 H2 GLY 1 HT2 GLY 1 -8.173 -16.183 3.923
3 H3 GLY 1 HT3 GLY 1 -7.479 -14.889 4.761
4 HA2 GLY 1 HA1 GLY 1 -10.086 -14.806 3.353
5 HA3 GLY 1 HA2 GLY 1 -9.884 -14.996 5.087
6 H ALA 2 HN ALA 2 -10.485 -13.177 6.024
7 HA ALA 2 HA ALA 2 -9.574 -10.628 4.869
8 HB1 ALA 2 HB1 ALA 2 -12.011 -10.862 4.941
9 HB2 ALA 2 HB2 ALA 2 -11.456 -9.576 6.011
10 HB3 ALA 2 HB3 ALA 2 -11.934 -11.137 6.681
11 H MET 3 HN MET 3 -7.680 -10.261 5.861
12 HA MET 3 HA MET 3 -6.970 -10.883 8.493
13 HB2 MET 3 HB2 MET 3 -5.272 -10.327 6.884
14 HB3 MET 3 HB1 MET 3 -5.968 -8.734 6.621
15 HG2 MET 3 HG2 MET 3 -5.418 -8.164 8.971
16 HG3 MET 3 HG1 MET 3 -4.608 -9.721 9.116
17 HE1 MET 3 HE1 MET 3 -3.228 -6.916 9.758
18 HE2 MET 3 HE2 MET 3 -1.646 -7.142 9.013
19 HE3 MET 3 HE3 MET 3 -2.390 -8.460 9.918
20 H GLU 4 HN GLU 4 -8.120 -7.819 7.121
21 HA GLU 4 HA GLU 4 -8.771 -6.933 9.848
22 HB2 GLU 4 HB2 GLU 4 -7.125 -5.530 8.605
23 HB3 GLU 4 HB1 GLU 4 -8.356 -5.224 7.389
24 HG2 GLU 4 HG2 GLU 4 -9.692 -4.004 8.916
25 HG3 GLU 4 HG1 GLU 4 -8.721 -4.533 10.289
26 H VAL 5 HN VAL 5 -10.824 -7.169 10.304
27 HA VAL 5 HA VAL 5 -12.811 -7.803 8.430
28 HB VAL 5 HB VAL 5 -13.148 -6.799 11.262
29 HG11 VAL 5 HG11 VAL 5 -15.096 -8.249 9.474
30 HG12 VAL 5 HG12 VAL 5 -15.211 -6.565 9.985
31 HG13 VAL 5 HG13 VAL 5 -15.350 -7.860 11.174
32 HG21 VAL 5 HG21 VAL 5 -13.033 -9.603 10.156
33 HG22 VAL 5 HG22 VAL 5 -13.383 -9.174 11.831
34 HG23 VAL 5 HG23 VAL 5 -11.799 -8.819 11.143
35 H GLN 6 HN GLN 6 -13.788 -6.578 7.042
36 HA GLN 6 HA GLN 6 -14.678 -4.827 5.942
37 HB2 GLN 6 HB2 GLN 6 -16.226 -4.938 7.920
38 HB3 GLN 6 HB1 GLN 6 -15.261 -3.672 8.669
39 HG2 GLN 6 HG2 GLN 6 -15.781 -2.169 6.820
40 HG3 GLN 6 HG1 GLN 6 -16.734 -3.437 6.053
41 HE21 GLN 6 HE21 GLN 6 -18.598 -2.233 6.081
42 HE22 GLN 6 HE22 GLN 6 -19.479 -1.912 7.534
43 H THR 7 HN THR 7 -12.214 -4.539 5.611
44 HA THR 7 HA THR 7 -11.216 -2.026 6.638
45 HB THR 7 HB THR 7 -9.540 -3.681 6.304
46 HG1 THR 7 HG1 THR 7 -9.339 -1.888 4.099
47 HG21 THR 7 HG21 THR 7 -10.552 -3.953 3.475
48 HG22 THR 7 HG22 THR 7 -10.636 -5.161 4.760
49 HG23 THR 7 HG23 THR 7 -9.074 -4.695 4.090
50 H SER 8 HN SER 8 -13.361 -1.183 5.794
51 HA SER 8 HA SER 8 -14.565 0.150 4.445
52 HB2 SER 8 HB2 SER 8 -11.930 0.509 3.003
53 HB3 SER 8 HB1 SER 8 -13.385 1.449 2.673
54 HG SER 8 HG SER 8 -12.738 2.686 4.231
55 H GLN 9 HN GLN 9 -12.419 -1.125 1.916
56 HA GLN 9 HA GLN 9 -14.178 -3.074 0.920
57 HB2 GLN 9 HB2 GLN 9 -15.545 -1.003 0.449
58 HB3 GLN 9 HB1 GLN 9 -14.268 -0.488 -0.641
59 HG2 GLN 9 HG2 GLN 9 -14.620 -2.530 -1.973
60 HG3 GLN 9 HG1 GLN 9 -15.956 -2.961 -0.905
61 HE21 GLN 9 HE21 GLN 9 -14.869 -0.869 -3.432
62 HE22 GLN 9 HE22 GLN 9 -16.407 -0.175 -3.805
63 H LYS 10 HN LYS 10 -11.937 -0.524 -0.063
64 HA LYS 10 HA LYS 10 -10.676 -2.314 -1.985
65 HB2 LYS 10 HB2 LYS 10 -9.467 -0.313 -2.734
66 HB3 LYS 10 HB1 LYS 10 -11.204 -0.043 -2.730
67 HG2 LYS 10 HG2 LYS 10 -10.906 1.065 -0.484
68 HG3 LYS 10 HG1 LYS 10 -9.169 0.987 -0.774
69 HD2 LYS 10 HD2 LYS 10 -9.427 2.300 -2.801
70 HD3 LYS 10 HD1 LYS 10 -11.176 2.335 -2.575
71 HE2 LYS 10 HE2 LYS 10 -10.262 4.420 -1.817
72 HE3 LYS 10 HE1 LYS 10 -10.820 3.508 -0.418
73 HZ1 LYS 10 HZ1 LYS 10 -8.568 2.880 0.076
74 HZ2 LYS 10 HZ2 LYS 10 -8.639 4.562 -0.089
75 HZ3 LYS 10 HZ3 LYS 10 -7.997 3.619 -1.340
76 H SER 11 HN SER 11 -8.415 -2.717 -1.937
77 HA SER 11 HA SER 11 -6.983 -2.044 0.483
78 HB2 SER 11 HB2 SER 11 -6.493 -4.465 0.947
79 HB3 SER 11 HB1 SER 11 -8.161 -3.990 1.243
80 HG SER 11 HG SER 11 -7.195 -5.854 -0.440
81 H TYR 12 HN TYR 12 -4.949 -1.649 0.018
82 HA TYR 12 HA TYR 12 -3.914 -2.472 -2.605
83 HB2 TYR 12 HB2 TYR 12 -2.692 -0.445 -0.737
84 HB3 TYR 12 HB1 TYR 12 -2.404 -0.637 -2.459
85 HD1 TYR 12 HD1 TYR 12 -4.748 0.637 0.073
86 HD2 TYR 12 HD2 TYR 12 -3.880 0.327 -4.077
87 HE1 TYR 12 HE1 TYR 12 -6.460 2.335 -0.408
88 HE2 TYR 12 HE2 TYR 12 -5.580 2.021 -4.569
89 HH TYR 12 HH TYR 12 -7.102 3.880 -2.080
90 H VAL 13 HN VAL 13 -2.500 -4.131 -2.629
91 HA VAL 13 HA VAL 13 -1.017 -4.696 -0.151
92 HB VAL 13 HB VAL 13 -1.516 -6.577 -2.456
93 HG11 VAL 13 HG11 VAL 13 -0.400 -7.072 0.302
94 HG12 VAL 13 HG12 VAL 13 0.508 -7.093 -1.208
95 HG13 VAL 13 HG13 VAL 13 -0.732 -8.309 -0.911
96 HG21 VAL 13 HG21 VAL 13 -3.121 -7.696 -0.981
97 HG22 VAL 13 HG22 VAL 13 -3.608 -6.037 -1.334
98 HG23 VAL 13 HG23 VAL 13 -2.884 -6.434 0.226
99 H CYS 14 HN CYS 14 1.012 -4.031 -0.161
100 HA CYS 14 HA CYS 14 2.477 -3.437 -2.541
101 HB2 CYS 14 HB2 CYS 14 3.039 -2.226 -0.535
102 HB3 CYS 14 HB1 CYS 14 3.324 -3.719 0.350
103 HA PRO 15 HA PRO 15 3.408 -7.718 -3.345
104 HB2 PRO 15 HB2 PRO 15 5.043 -7.306 -5.487
105 HB3 PRO 15 HB1 PRO 15 3.281 -7.233 -5.579
106 HG2 PRO 15 HG2 PRO 15 5.259 -5.001 -5.368
107 HG3 PRO 15 HG1 PRO 15 3.800 -5.116 -6.369
108 HD2 PRO 15 HD2 PRO 15 3.867 -3.713 -4.059
109 HD3 PRO 15 HD1 PRO 15 2.404 -4.545 -4.626
110 H ASN 16 HN ASN 16 5.641 -5.262 -2.516
111 HA ASN 16 HA ASN 16 7.943 -7.025 -2.495
112 HB2 ASN 16 HB2 ASN 16 8.118 -4.625 -3.167
113 HB3 ASN 16 HB1 ASN 16 7.719 -4.173 -1.515
114 HD21 ASN 16 HD21 ASN 16 10.116 -5.553 -3.609
115 HD22 ASN 16 HD22 ASN 16 11.436 -5.455 -2.499
116 H CYS 17 HN CYS 17 5.527 -5.901 -0.278
117 HA CYS 17 HA CYS 17 7.133 -6.950 1.961
118 HB2 CYS 17 HB2 CYS 17 5.086 -4.735 2.107
119 HB3 CYS 17 HB1 CYS 17 6.112 -5.309 3.418
120 H GLY 18 HN GLY 18 4.166 -7.155 0.261
121 HA2 GLY 18 HA2 GLY 18 2.316 -8.496 0.600
122 HA3 GLY 18 HA1 GLY 18 3.134 -9.189 1.997
123 H LYS 19 HN LYS 19 2.961 -5.799 1.915
124 HA LYS 19 HA LYS 19 1.358 -5.780 4.319
125 HB2 LYS 19 HB2 LYS 19 3.475 -4.389 3.846
126 HB3 LYS 19 HB1 LYS 19 2.439 -3.380 2.850
127 HG2 LYS 19 HG2 LYS 19 2.465 -2.261 4.868
128 HG3 LYS 19 HG1 LYS 19 0.970 -3.195 4.962
129 HD2 LYS 19 HD2 LYS 19 2.213 -4.944 6.215
130 HD3 LYS 19 HD1 LYS 19 3.622 -3.888 6.215
131 HE2 LYS 19 HE2 LYS 19 0.943 -3.312 7.472
132 HE3 LYS 19 HE1 LYS 19 2.441 -3.691 8.318
133 HZ1 LYS 19 HZ1 LYS 19 1.870 -1.267 6.709
134 HZ2 LYS 19 HZ2 LYS 19 3.396 -1.650 7.327
135 HZ3 LYS 19 HZ3 LYS 19 2.109 -1.352 8.380
136 H ILE 20 HN ILE 20 -0.721 -5.042 4.495
137 HA ILE 20 HA ILE 20 -2.039 -4.288 1.976
138 HB ILE 20 HB ILE 20 -2.897 -6.350 2.970
139 HG12 ILE 20 HG12 ILE 20 -4.418 -4.583 1.816
140 HG13 ILE 20 HG11 ILE 20 -5.164 -5.936 2.655
141 HG21 ILE 20 HG21 ILE 20 -2.396 -5.989 5.287
142 HG22 ILE 20 HG22 ILE 20 -4.119 -6.321 5.110
143 HG23 ILE 20 HG23 ILE 20 -3.560 -4.669 5.374
144 HD11 ILE 20 HD11 ILE 20 -4.857 -3.138 3.725
145 HD12 ILE 20 HD12 ILE 20 -5.605 -4.491 4.575
146 HD13 ILE 20 HD13 ILE 20 -6.340 -3.862 3.100
147 H PHE 21 HN PHE 21 -2.813 -2.307 1.740
148 HA PHE 21 HA PHE 21 -3.062 -0.605 4.122
149 HB2 PHE 21 HB2 PHE 21 -2.142 0.090 1.331
150 HB3 PHE 21 HB1 PHE 21 -2.595 1.303 2.524
151 HD1 PHE 21 HD1 PHE 21 -0.123 -1.233 1.604
152 HD2 PHE 21 HD2 PHE 21 -1.186 1.786 4.404
153 HE1 PHE 21 HE1 PHE 21 2.161 -1.269 2.506
154 HE2 PHE 21 HE2 PHE 21 1.097 1.752 5.314
155 HZ PHE 21 HZ PHE 21 2.774 0.223 4.364
156 H ARG 22 HN ARG 22 -4.798 0.774 4.214
157 HA ARG 22 HA ARG 22 -7.028 0.070 2.460
158 HB2 ARG 22 HB2 ARG 22 -7.198 0.032 4.999
159 HB3 ARG 22 HB1 ARG 22 -7.098 1.786 4.938
160 HG2 ARG 22 HG2 ARG 22 -9.064 1.687 3.351
161 HG3 ARG 22 HG1 ARG 22 -9.232 0.003 3.849
162 HD2 ARG 22 HD2 ARG 22 -9.207 2.344 5.744
163 HD3 ARG 22 HD1 ARG 22 -10.671 1.592 5.119
164 HE ARG 22 HE ARG 22 -8.776 -0.115 6.543
165 HH11 ARG 22 HH11 ARG 22 -11.822 1.592 6.474
166 HH12 ARG 22 HH12 ARG 22 -12.438 0.826 7.904
167 HH21 ARG 22 HH21 ARG 22 -9.585 -1.169 8.412
168 HH22 ARG 22 HH22 ARG 22 -11.171 -0.750 9.006
169 H TRP 23 HN TRP 23 -4.879 2.643 3.295
170 HA TRP 23 HA TRP 23 -6.492 4.587 1.800
171 HB2 TRP 23 HB2 TRP 23 -4.172 5.125 3.661
172 HB3 TRP 23 HB1 TRP 23 -5.281 6.313 2.979
173 HD1 TRP 23 HD1 TRP 23 -4.719 4.449 6.046
174 HE1 TRP 23 HE1 TRP 23 -6.828 4.412 7.529
175 HE3 TRP 23 HE3 TRP 23 -8.154 6.036 2.612
176 HZ2 TRP 23 HZ2 TRP 23 -9.584 4.975 7.259
177 HZ3 TRP 23 HZ3 TRP 23 -10.503 6.249 3.309
178 HH2 TRP 23 HH2 TRP 23 -11.199 5.728 5.581
179 H ARG 24 HN ARG 24 -5.646 5.765 0.170
180 HA ARG 24 HA ARG 24 -3.638 4.494 -1.399
181 HB2 ARG 24 HB2 ARG 24 -5.567 5.512 -2.442
182 HB3 ARG 24 HB1 ARG 24 -5.161 7.077 -1.756
183 HG2 ARG 24 HG2 ARG 24 -3.179 7.204 -3.131
184 HG3 ARG 24 HG1 ARG 24 -3.494 5.589 -3.772
185 HD2 ARG 24 HD2 ARG 24 -4.206 7.373 -5.313
186 HD3 ARG 24 HD1 ARG 24 -5.546 6.354 -4.794
187 HE ARG 24 HE ARG 24 -5.519 8.481 -3.048
188 HH11 ARG 24 HH11 ARG 24 -5.811 8.061 -6.501
189 HH12 ARG 24 HH12 ARG 24 -6.785 9.476 -6.727
190 HH21 ARG 24 HH21 ARG 24 -6.834 10.339 -3.327
191 HH22 ARG 24 HH22 ARG 24 -7.389 10.764 -4.913
192 H VAL 25 HN VAL 25 -3.722 7.330 0.680
193 HA VAL 25 HA VAL 25 -1.445 8.591 -0.425
194 HB VAL 25 HB VAL 25 -1.409 9.938 1.694
195 HG11 VAL 25 HG11 VAL 25 -2.646 10.674 -0.258
196 HG12 VAL 25 HG12 VAL 25 -3.527 11.085 1.214
197 HG13 VAL 25 HG13 VAL 25 -4.038 9.711 0.236
198 HG21 VAL 25 HG21 VAL 25 -2.296 8.296 3.247
199 HG22 VAL 25 HG22 VAL 25 -3.823 8.252 2.365
200 HG23 VAL 25 HG23 VAL 25 -3.339 9.719 3.216
201 H ASN 26 HN ASN 26 -1.818 6.577 2.492
202 HA ASN 26 HA ASN 26 0.970 6.693 3.050
203 HB2 ASN 26 HB2 ASN 26 0.473 4.857 4.708
204 HB3 ASN 26 HB1 ASN 26 -0.382 6.365 4.952
205 HD21 ASN 26 HD21 ASN 26 -1.146 3.739 2.695
206 HD22 ASN 26 HD22 ASN 26 -2.674 3.366 3.401
207 H PHE 27 HN PHE 27 -1.027 4.651 1.098
208 HA PHE 27 HA PHE 27 0.766 2.456 0.871
209 HB2 PHE 27 HB2 PHE 27 -1.594 2.294 0.191
210 HB3 PHE 27 HB1 PHE 27 -1.293 3.436 -1.116
211 HD1 PHE 27 HD1 PHE 27 -0.029 0.204 0.211
212 HD2 PHE 27 HD2 PHE 27 -0.789 2.610 -3.211
213 HE1 PHE 27 HE1 PHE 27 0.645 -1.661 -1.237
214 HE2 PHE 27 HE2 PHE 27 -0.116 0.749 -4.671
215 HZ PHE 27 HZ PHE 27 0.604 -1.386 -3.677
216 H ILE 28 HN ILE 28 0.200 5.309 -1.179
217 HA ILE 28 HA ILE 28 2.254 4.739 -3.024
218 HB ILE 28 HB ILE 28 1.061 7.419 -2.291
219 HG12 ILE 28 HG12 ILE 28 -0.639 5.877 -3.071
220 HG13 ILE 28 HG11 ILE 28 -0.312 7.060 -4.334
221 HG21 ILE 28 HG21 ILE 28 2.655 6.607 -4.719
222 HG22 ILE 28 HG22 ILE 28 3.195 7.683 -3.431
223 HG23 ILE 28 HG23 ILE 28 1.864 8.166 -4.482
224 HD11 ILE 28 HD11 ILE 28 -0.569 4.849 -5.277
225 HD12 ILE 28 HD12 ILE 28 0.712 4.228 -4.238
226 HD13 ILE 28 HD13 ILE 28 1.088 5.410 -5.491
227 H ARG 29 HN ARG 29 2.197 6.519 -0.001
228 HA ARG 29 HA ARG 29 4.788 7.596 -0.076
229 HB2 ARG 29 HB2 ARG 29 2.924 8.127 1.546
230 HB3 ARG 29 HB1 ARG 29 3.304 6.623 2.367
231 HG2 ARG 29 HG2 ARG 29 5.456 7.413 2.995
232 HG3 ARG 29 HG1 ARG 29 5.290 8.842 1.970
233 HD2 ARG 29 HD2 ARG 29 3.624 8.185 4.398
234 HD3 ARG 29 HD1 ARG 29 4.890 9.410 4.306
235 HE ARG 29 HE ARG 29 3.376 10.393 2.475
236 HH11 ARG 29 HH11 ARG 29 2.242 8.759 5.361
237 HH12 ARG 29 HH12 ARG 29 0.708 9.567 5.369
238 HH21 ARG 29 HH21 ARG 29 1.356 11.473 2.496
239 HH22 ARG 29 HH22 ARG 29 0.212 11.127 3.756
240 H HIS 30 HN HIS 30 3.553 4.537 1.155
241 HA HIS 30 HA HIS 30 5.999 3.480 2.088
242 HB2 HIS 30 HB2 HIS 30 3.941 2.626 2.932
243 HB3 HIS 30 HB1 HIS 30 3.339 2.279 1.323
244 HD1 HIS 30 HD1 HIS 30 6.119 0.999 3.633
245 HD2 HIS 30 HD2 HIS 30 3.518 -0.275 0.651
246 HE1 HIS 30 HE1 HIS 30 6.383 -1.520 3.472
247 H LEU 31 HN LEU 31 4.371 3.360 -1.037
248 HA LEU 31 HA LEU 31 6.221 1.471 -2.153
249 HB2 LEU 31 HB2 LEU 31 3.876 2.982 -3.116
250 HB3 LEU 31 HB1 LEU 31 5.064 2.558 -4.333
251 HG LEU 31 HG LEU 31 3.243 0.905 -4.174
252 HD11 LEU 31 HD11 LEU 31 5.955 -0.105 -3.332
253 HD12 LEU 31 HD12 LEU 31 5.410 0.195 -4.983
254 HD13 LEU 31 HD13 LEU 31 4.666 -1.088 -4.027
255 HD21 LEU 31 HD21 LEU 31 4.320 0.431 -1.398
256 HD22 LEU 31 HD22 LEU 31 3.132 -0.579 -2.223
257 HD23 LEU 31 HD23 LEU 31 2.736 1.089 -1.808
258 H ARG 32 HN ARG 32 5.938 4.964 -2.103
259 HA ARG 32 HA ARG 32 7.761 5.541 -4.154
260 HB2 ARG 32 HB2 ARG 32 6.243 7.213 -3.212
261 HB3 ARG 32 HB1 ARG 32 7.102 7.147 -1.680
262 HG2 ARG 32 HG2 ARG 32 9.072 8.089 -2.684
263 HG3 ARG 32 HG1 ARG 32 8.333 8.024 -4.284
264 HD2 ARG 32 HD2 ARG 32 7.343 9.654 -1.949
265 HD3 ARG 32 HD1 ARG 32 8.240 10.281 -3.333
266 HE ARG 32 HE ARG 32 6.221 9.250 -4.618
267 HH11 ARG 32 HH11 ARG 32 6.115 10.942 -1.554
268 HH12 ARG 32 HH12 ARG 32 4.503 11.530 -1.794
269 HH21 ARG 32 HH21 ARG 32 4.096 10.017 -4.931
270 HH22 ARG 32 HH22 ARG 32 3.357 11.008 -3.712
271 H SER 33 HN SER 33 8.249 5.064 -0.680
272 HA SER 33 HA SER 33 11.064 5.541 -0.834
273 HB2 SER 33 HB2 SER 33 9.472 4.180 1.348
274 HB3 SER 33 HB1 SER 33 11.108 4.827 1.495
275 HG SER 33 HG SER 33 10.187 6.905 0.963
276 H ARG 34 HN ARG 34 8.967 2.749 -0.964
277 HA ARG 34 HA ARG 34 9.259 0.628 -1.666
278 HB2 ARG 34 HB2 ARG 34 11.585 1.981 -2.868
279 HB3 ARG 34 HB1 ARG 34 11.728 0.234 -2.705
280 HG2 ARG 34 HG2 ARG 34 9.681 -0.079 -3.960
281 HG3 ARG 34 HG1 ARG 34 9.454 1.667 -4.072
282 HD2 ARG 34 HD2 ARG 34 10.392 0.760 -6.135
283 HD3 ARG 34 HD1 ARG 34 11.526 1.856 -5.348
284 HE ARG 34 HE ARG 34 12.413 -0.442 -4.408
285 HH11 ARG 34 HH11 ARG 34 11.363 0.327 -7.654
286 HH12 ARG 34 HH12 ARG 34 12.423 -0.823 -8.407
287 HH21 ARG 34 HH21 ARG 34 13.818 -1.950 -5.394
288 HH22 ARG 34 HH22 ARG 34 13.819 -2.114 -7.122
289 H ARG 35 HN ARG 35 12.469 1.578 -0.403
290 HA ARG 35 HA ARG 35 12.221 -0.336 1.745
291 HB2 ARG 35 HB2 ARG 35 12.881 -1.790 -0.116
292 HB3 ARG 35 HB1 ARG 35 14.254 -0.751 -0.461
293 HG2 ARG 35 HG2 ARG 35 15.054 -2.668 0.686
294 HG3 ARG 35 HG1 ARG 35 15.152 -1.298 1.792
295 HD2 ARG 35 HD2 ARG 35 13.005 -2.034 2.803
296 HD3 ARG 35 HD1 ARG 35 13.049 -3.459 1.766
297 HE ARG 35 HE ARG 35 15.454 -3.174 3.271
298 HH11 ARG 35 HH11 ARG 35 12.137 -4.279 3.469
299 HH12 ARG 35 HH12 ARG 35 12.442 -5.365 4.786
300 HH21 ARG 35 HH21 ARG 35 15.852 -4.594 5.034
301 HH22 ARG 35 HH22 ARG 35 14.549 -5.543 5.679
302 H GLU 36 HN GLU 36 14.964 1.087 -0.034
303 HA GLU 36 HA GLU 36 16.680 2.419 0.599
304 HB2 GLU 36 HB2 GLU 36 14.503 3.627 2.304
305 HB3 GLU 36 HB1 GLU 36 16.087 4.354 2.068
306 HG2 GLU 36 HG2 GLU 36 14.023 3.813 -0.054
307 HG3 GLU 36 HG1 GLU 36 14.485 5.383 0.599
308 H GLN 37 HN GLN 37 16.676 -0.013 1.848
309 HA GLN 37 HA GLN 37 18.536 0.377 3.909
310 HB2 GLN 37 HB2 GLN 37 17.317 -0.525 5.833
311 HB3 GLN 37 HB1 GLN 37 16.554 0.949 5.265
312 HG2 GLN 37 HG2 GLN 37 14.861 -0.399 4.106
313 HG3 GLN 37 HG1 GLN 37 15.615 -1.860 4.739
314 HE21 GLN 37 HE21 GLN 37 15.281 1.128 6.535
315 HE22 GLN 37 HE22 GLN 37 14.137 0.531 7.682
316 H LYS 38 HN LYS 38 19.677 -1.508 4.245
317 HA LYS 38 HA LYS 38 19.641 -3.362 2.187
318 HB2 LYS 38 HB2 LYS 38 21.611 -2.912 3.562
319 HB3 LYS 38 HB1 LYS 38 20.831 -3.664 4.947
320 HG2 LYS 38 HG2 LYS 38 20.811 -5.808 3.779
321 HG3 LYS 38 HG1 LYS 38 21.581 -5.054 2.383
322 HD2 LYS 38 HD2 LYS 38 23.233 -6.228 3.711
323 HD3 LYS 38 HD1 LYS 38 23.526 -4.491 3.785
324 HE2 LYS 38 HE2 LYS 38 22.498 -4.373 5.968
325 HE3 LYS 38 HE1 LYS 38 22.050 -6.076 5.883
326 HZ1 LYS 38 HZ1 LYS 38 24.023 -5.740 7.232
327 HZ2 LYS 38 HZ2 LYS 38 24.824 -5.018 5.930
328 HZ3 LYS 38 HZ3 LYS 38 24.393 -6.651 5.856
329 HA PRO 39 HA PRO 39 16.256 -5.946 3.648
330 HB2 PRO 39 HB2 PRO 39 15.946 -7.320 1.348
331 HB3 PRO 39 HB1 PRO 39 15.347 -5.671 1.545
332 HG2 PRO 39 HG2 PRO 39 17.814 -6.643 0.168
333 HG3 PRO 39 HG1 PRO 39 16.691 -5.360 -0.315
334 HD2 PRO 39 HD2 PRO 39 19.108 -4.912 0.901
335 HD3 PRO 39 HD1 PRO 39 17.732 -3.796 0.988
336 H HIS 40 HN HIS 40 19.278 -6.871 2.254
337 HA HIS 40 HA HIS 40 19.874 -8.881 4.064
338 HB2 HIS 40 HB2 HIS 40 19.697 -10.932 2.750
339 HB3 HIS 40 HB1 HIS 40 18.108 -10.204 2.929
340 HD1 HIS 40 HD1 HIS 40 20.342 -11.591 0.449
341 HD2 HIS 40 HD2 HIS 40 17.289 -8.771 0.478
342 HE1 HIS 40 HE1 HIS 40 19.632 -11.328 -1.950
343 HE2 HIS 40 HE2 HIS 40 17.924 -9.484 -1.923
344 H LYS 41 HN LYS 41 20.230 -7.448 0.940
345 HA LYS 41 HA LYS 41 23.099 -7.422 1.242
346 HB2 LYS 41 HB2 LYS 41 22.659 -9.540 0.048
347 HB3 LYS 41 HB1 LYS 41 21.790 -8.654 -1.194
348 HG2 LYS 41 HG2 LYS 41 23.793 -7.539 -1.887
349 HG3 LYS 41 HG1 LYS 41 24.695 -8.228 -0.536
350 HD2 LYS 41 HD2 LYS 41 23.403 -9.832 -2.739
351 HD3 LYS 41 HD1 LYS 41 25.111 -9.394 -2.684
352 HE2 LYS 41 HE2 LYS 41 25.375 -10.627 -0.603
353 HE3 LYS 41 HE1 LYS 41 23.661 -11.026 -0.603
354 HZ1 LYS 41 HZ1 LYS 41 23.966 -12.301 -2.610
355 HZ2 LYS 41 HZ2 LYS 41 25.039 -12.849 -1.422
356 HZ3 LYS 41 HZ3 LYS 41 25.599 -11.872 -2.680
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 -20.570 -5.608 1.861
2 H2 GLY 1 HT2 GLY 1 -19.154 -5.811 0.964
3 H3 GLY 1 HT3 GLY 1 -19.492 -4.323 1.680
4 HA2 GLY 1 HA1 GLY 1 -19.275 -5.267 3.871
5 HA3 GLY 1 HA2 GLY 1 -18.978 -6.841 3.153
6 H ALA 2 HN ALA 2 -17.042 -7.121 1.888
7 HA ALA 2 HA ALA 2 -14.928 -5.172 2.534
8 HB1 ALA 2 HB1 ALA 2 -14.754 -7.102 4.032
9 HB2 ALA 2 HB2 ALA 2 -13.379 -7.012 2.933
10 HB3 ALA 2 HB3 ALA 2 -14.669 -8.177 2.637
11 H MET 3 HN MET 3 -15.824 -7.930 0.475
12 HA MET 3 HA MET 3 -13.837 -7.171 -1.500
13 HB2 MET 3 HB2 MET 3 -14.471 -9.578 -0.823
14 HB3 MET 3 HB1 MET 3 -15.901 -9.344 -1.814
15 HG2 MET 3 HG2 MET 3 -13.072 -9.069 -2.806
16 HG3 MET 3 HG1 MET 3 -14.047 -10.525 -2.956
17 HE1 MET 3 HE1 MET 3 -16.185 -10.732 -4.479
18 HE2 MET 3 HE2 MET 3 -16.866 -9.400 -5.412
19 HE3 MET 3 HE3 MET 3 -16.936 -9.369 -3.649
20 H GLU 4 HN GLU 4 -14.333 -5.491 -2.733
21 HA GLU 4 HA GLU 4 -16.419 -5.666 -4.629
22 HB2 GLU 4 HB2 GLU 4 -17.703 -4.908 -2.594
23 HB3 GLU 4 HB1 GLU 4 -16.752 -3.431 -2.623
24 HG2 GLU 4 HG2 GLU 4 -17.660 -2.794 -4.728
25 HG3 GLU 4 HG1 GLU 4 -18.444 -4.361 -4.926
26 H VAL 5 HN VAL 5 -15.030 -5.203 -6.207
27 HA VAL 5 HA VAL 5 -13.550 -4.117 -7.535
28 HB VAL 5 HB VAL 5 -14.480 -1.573 -6.199
29 HG11 VAL 5 HG11 VAL 5 -13.443 -2.138 -8.977
30 HG12 VAL 5 HG12 VAL 5 -12.569 -1.314 -7.686
31 HG13 VAL 5 HG13 VAL 5 -14.007 -0.574 -8.390
32 HG21 VAL 5 HG21 VAL 5 -16.247 -1.471 -7.885
33 HG22 VAL 5 HG22 VAL 5 -16.429 -2.889 -6.853
34 HG23 VAL 5 HG23 VAL 5 -15.775 -3.062 -8.482
35 H GLN 6 HN GLN 6 -12.021 -5.239 -6.005
36 HA GLN 6 HA GLN 6 -10.397 -3.298 -4.508
37 HB2 GLN 6 HB2 GLN 6 -9.482 -5.233 -3.293
38 HB3 GLN 6 HB1 GLN 6 -11.226 -5.112 -3.117
39 HG2 GLN 6 HG2 GLN 6 -11.572 -6.894 -4.672
40 HG3 GLN 6 HG1 GLN 6 -9.858 -6.934 -5.079
41 HE21 GLN 6 HE21 GLN 6 -9.046 -6.560 -2.280
42 HE22 GLN 6 HE22 GLN 6 -9.303 -8.091 -1.518
43 H THR 7 HN THR 7 -10.335 -3.615 -7.344
44 HA THR 7 HA THR 7 -8.259 -5.211 -8.296
45 HB THR 7 HB THR 7 -8.154 -3.356 -10.115
46 HG1 THR 7 HG1 THR 7 -10.195 -2.116 -10.017
47 HG21 THR 7 HG21 THR 7 -10.730 -4.838 -9.560
48 HG22 THR 7 HG22 THR 7 -9.324 -5.490 -10.404
49 HG23 THR 7 HG23 THR 7 -10.244 -4.165 -11.117
50 H SER 8 HN SER 8 -7.993 -1.663 -8.162
51 HA SER 8 HA SER 8 -5.447 -1.932 -6.740
52 HB2 SER 8 HB2 SER 8 -4.957 -1.908 -9.189
53 HB3 SER 8 HB1 SER 8 -5.734 -0.330 -9.295
54 HG SER 8 HG SER 8 -4.104 0.168 -7.496
55 H GLN 9 HN GLN 9 -8.353 -0.715 -6.588
56 HA GLN 9 HA GLN 9 -7.475 1.934 -5.659
57 HB2 GLN 9 HB2 GLN 9 -9.828 2.662 -6.029
58 HB3 GLN 9 HB1 GLN 9 -8.984 2.191 -7.496
59 HG2 GLN 9 HG2 GLN 9 -10.107 0.024 -7.449
60 HG3 GLN 9 HG1 GLN 9 -10.955 0.501 -5.978
61 HE21 GLN 9 HE21 GLN 9 -12.591 2.030 -6.098
62 HE22 GLN 9 HE22 GLN 9 -13.328 2.471 -7.598
63 H LYS 10 HN LYS 10 -8.219 -0.995 -4.502
64 HA LYS 10 HA LYS 10 -8.889 0.058 -1.903
65 HB2 LYS 10 HB2 LYS 10 -11.099 -0.238 -2.999
66 HB3 LYS 10 HB1 LYS 10 -10.730 -1.937 -3.236
67 HG2 LYS 10 HG2 LYS 10 -10.612 -2.242 -0.810
68 HG3 LYS 10 HG1 LYS 10 -11.010 -0.538 -0.587
69 HD2 LYS 10 HD2 LYS 10 -13.137 -0.926 -1.801
70 HD3 LYS 10 HD1 LYS 10 -12.743 -2.644 -1.874
71 HE2 LYS 10 HE2 LYS 10 -13.086 -1.019 0.644
72 HE3 LYS 10 HE1 LYS 10 -14.275 -2.129 -0.031
73 HZ1 LYS 10 HZ1 LYS 10 -12.988 -3.129 1.769
74 HZ2 LYS 10 HZ2 LYS 10 -11.561 -2.897 0.894
75 HZ3 LYS 10 HZ3 LYS 10 -12.749 -3.951 0.309
76 H SER 11 HN SER 11 -8.462 -1.446 -0.221
77 HA SER 11 HA SER 11 -6.942 -2.821 0.756
78 HB2 SER 11 HB2 SER 11 -7.164 -5.253 0.064
79 HB3 SER 11 HB1 SER 11 -8.662 -4.456 0.535
80 HG SER 11 HG SER 11 -8.091 -4.251 -2.142
81 H TYR 12 HN TYR 12 -5.232 -1.538 -0.128
82 HA TYR 12 HA TYR 12 -3.979 -2.306 -2.597
83 HB2 TYR 12 HB2 TYR 12 -2.851 -0.467 -0.488
84 HB3 TYR 12 HB1 TYR 12 -2.494 -0.480 -2.211
85 HD1 TYR 12 HD1 TYR 12 -4.832 0.629 0.368
86 HD2 TYR 12 HD2 TYR 12 -4.084 0.449 -3.814
87 HE1 TYR 12 HE1 TYR 12 -6.571 2.327 -0.015
88 HE2 TYR 12 HE2 TYR 12 -5.813 2.143 -4.206
89 HH TYR 12 HH TYR 12 -7.094 4.065 -1.813
90 H VAL 13 HN VAL 13 -2.454 -3.798 -2.841
91 HA VAL 13 HA VAL 13 -1.194 -4.900 -0.421
92 HB VAL 13 HB VAL 13 -1.314 -6.253 -3.111
93 HG11 VAL 13 HG11 VAL 13 0.350 -7.098 -1.552
94 HG12 VAL 13 HG12 VAL 13 -0.933 -8.282 -1.803
95 HG13 VAL 13 HG13 VAL 13 -0.895 -7.320 -0.324
96 HG21 VAL 13 HG21 VAL 13 -3.241 -7.524 -2.327
97 HG22 VAL 13 HG22 VAL 13 -3.610 -5.801 -2.406
98 HG23 VAL 13 HG23 VAL 13 -3.284 -6.563 -0.851
99 H CYS 14 HN CYS 14 0.845 -4.194 -0.135
100 HA CYS 14 HA CYS 14 2.479 -3.278 -2.298
101 HB2 CYS 14 HB2 CYS 14 2.960 -2.379 -0.114
102 HB3 CYS 14 HB1 CYS 14 3.152 -3.993 0.569
103 HA PRO 15 HA PRO 15 3.653 -7.446 -3.533
104 HB2 PRO 15 HB2 PRO 15 5.228 -6.764 -5.595
105 HB3 PRO 15 HB1 PRO 15 3.475 -6.581 -5.695
106 HG2 PRO 15 HG2 PRO 15 5.539 -4.508 -5.021
107 HG3 PRO 15 HG1 PRO 15 4.223 -4.405 -6.200
108 HD2 PRO 15 HD2 PRO 15 3.997 -3.345 -3.738
109 HD3 PRO 15 HD1 PRO 15 2.609 -4.091 -4.557
110 H ASN 16 HN ASN 16 5.449 -4.896 -2.360
111 HA ASN 16 HA ASN 16 8.040 -6.164 -2.509
112 HB2 ASN 16 HB2 ASN 16 8.444 -3.997 -2.960
113 HB3 ASN 16 HB1 ASN 16 6.949 -3.466 -2.217
114 HD21 ASN 16 HD21 ASN 16 10.271 -4.247 -1.696
115 HD22 ASN 16 HD22 ASN 16 10.458 -3.392 -0.200
116 H CYS 17 HN CYS 17 5.536 -5.512 -0.133
117 HA CYS 17 HA CYS 17 7.227 -6.878 1.868
118 HB2 CYS 17 HB2 CYS 17 5.075 -4.861 2.492
119 HB3 CYS 17 HB1 CYS 17 6.182 -5.616 3.633
120 H GLY 18 HN GLY 18 4.264 -6.920 0.159
121 HA2 GLY 18 HA2 GLY 18 2.458 -8.369 0.299
122 HA3 GLY 18 HA1 GLY 18 3.229 -9.142 1.680
123 H LYS 19 HN LYS 19 2.968 -5.747 1.778
124 HA LYS 19 HA LYS 19 1.403 -5.920 4.195
125 HB2 LYS 19 HB2 LYS 19 3.477 -4.405 3.638
126 HB3 LYS 19 HB1 LYS 19 2.271 -3.341 2.934
127 HG2 LYS 19 HG2 LYS 19 2.613 -2.559 5.118
128 HG3 LYS 19 HG1 LYS 19 1.084 -3.439 5.171
129 HD2 LYS 19 HD2 LYS 19 2.318 -5.421 6.006
130 HD3 LYS 19 HD1 LYS 19 3.784 -4.452 6.055
131 HE2 LYS 19 HE2 LYS 19 1.261 -3.820 7.577
132 HE3 LYS 19 HE1 LYS 19 2.652 -4.663 8.254
133 HZ1 LYS 19 HZ1 LYS 19 4.002 -2.705 7.797
134 HZ2 LYS 19 HZ2 LYS 19 2.703 -2.323 8.804
135 HZ3 LYS 19 HZ3 LYS 19 2.656 -1.899 7.170
136 H ILE 20 HN ILE 20 -0.623 -5.033 4.549
137 HA ILE 20 HA ILE 20 -2.132 -4.304 2.138
138 HB ILE 20 HB ILE 20 -3.008 -5.484 4.761
139 HG12 ILE 20 HG12 ILE 20 -2.174 -6.868 2.822
140 HG13 ILE 20 HG11 ILE 20 -3.767 -7.293 3.436
141 HG21 ILE 20 HG21 ILE 20 -4.588 -3.699 4.266
142 HG22 ILE 20 HG22 ILE 20 -5.337 -5.275 4.009
143 HG23 ILE 20 HG23 ILE 20 -4.799 -4.318 2.629
144 HD11 ILE 20 HD11 ILE 20 -4.784 -6.073 1.579
145 HD12 ILE 20 HD12 ILE 20 -3.709 -7.352 1.015
146 HD13 ILE 20 HD13 ILE 20 -3.178 -5.671 0.974
147 H PHE 21 HN PHE 21 -2.898 -2.381 1.885
148 HA PHE 21 HA PHE 21 -2.930 -0.534 4.170
149 HB2 PHE 21 HB2 PHE 21 -2.103 -0.035 1.323
150 HB3 PHE 21 HB1 PHE 21 -2.600 1.279 2.385
151 HD1 PHE 21 HD1 PHE 21 -0.108 -1.380 1.877
152 HD2 PHE 21 HD2 PHE 21 -1.172 2.098 4.082
153 HE1 PHE 21 HE1 PHE 21 2.169 -1.272 2.795
154 HE2 PHE 21 HE2 PHE 21 1.099 2.206 5.009
155 HZ PHE 21 HZ PHE 21 2.760 0.511 4.399
156 H ARG 22 HN ARG 22 -4.609 0.945 4.269
157 HA ARG 22 HA ARG 22 -6.980 0.068 2.790
158 HB2 ARG 22 HB2 ARG 22 -6.940 -0.036 5.309
159 HB3 ARG 22 HB1 ARG 22 -6.876 1.722 5.313
160 HG2 ARG 22 HG2 ARG 22 -9.005 1.799 4.128
161 HG3 ARG 22 HG1 ARG 22 -9.063 0.035 4.139
162 HD2 ARG 22 HD2 ARG 22 -9.185 -0.002 6.538
163 HD3 ARG 22 HD1 ARG 22 -8.920 1.738 6.622
164 HE ARG 22 HE ARG 22 -11.161 1.512 5.116
165 HH11 ARG 22 HH11 ARG 22 -10.246 0.282 8.268
166 HH12 ARG 22 HH12 ARG 22 -11.867 0.304 8.884
167 HH21 ARG 22 HH21 ARG 22 -13.295 1.542 5.938
168 HH22 ARG 22 HH22 ARG 22 -13.589 1.030 7.570
169 H TRP 23 HN TRP 23 -4.855 2.741 3.289
170 HA TRP 23 HA TRP 23 -6.673 4.480 1.752
171 HB2 TRP 23 HB2 TRP 23 -4.382 5.361 3.521
172 HB3 TRP 23 HB1 TRP 23 -5.585 6.392 2.753
173 HD1 TRP 23 HD1 TRP 23 -4.902 4.553 5.899
174 HE1 TRP 23 HE1 TRP 23 -6.959 4.631 7.453
175 HE3 TRP 23 HE3 TRP 23 -8.358 6.346 2.584
176 HZ2 TRP 23 HZ2 TRP 23 -9.680 5.360 7.282
177 HZ3 TRP 23 HZ3 TRP 23 -10.663 6.703 3.367
178 HH2 TRP 23 HH2 TRP 23 -11.307 6.219 5.664
179 H ARG 24 HN ARG 24 -5.758 5.808 0.119
180 HA ARG 24 HA ARG 24 -3.869 4.405 -1.489
181 HB2 ARG 24 HB2 ARG 24 -5.737 5.638 -2.476
182 HB3 ARG 24 HB1 ARG 24 -5.102 7.145 -1.835
183 HG2 ARG 24 HG2 ARG 24 -4.477 7.161 -4.076
184 HG3 ARG 24 HG1 ARG 24 -3.017 6.656 -3.226
185 HD2 ARG 24 HD2 ARG 24 -3.258 5.255 -5.139
186 HD3 ARG 24 HD1 ARG 24 -3.654 4.285 -3.720
187 HE ARG 24 HE ARG 24 -6.073 5.133 -4.459
188 HH11 ARG 24 HH11 ARG 24 -3.468 3.763 -6.358
189 HH12 ARG 24 HH12 ARG 24 -4.531 3.062 -7.533
190 HH21 ARG 24 HH21 ARG 24 -7.465 4.241 -6.032
191 HH22 ARG 24 HH22 ARG 24 -6.792 3.340 -7.358
192 H VAL 25 HN VAL 25 -3.744 7.447 0.338
193 HA VAL 25 HA VAL 25 -1.375 8.389 -0.852
194 HB VAL 25 HB VAL 25 -1.273 9.979 1.083
195 HG11 VAL 25 HG11 VAL 25 -3.321 11.170 0.451
196 HG12 VAL 25 HG12 VAL 25 -3.918 9.710 -0.339
197 HG13 VAL 25 HG13 VAL 25 -2.478 10.521 -0.956
198 HG21 VAL 25 HG21 VAL 25 -3.223 10.045 2.597
199 HG22 VAL 25 HG22 VAL 25 -2.240 8.600 2.825
200 HG23 VAL 25 HG23 VAL 25 -3.763 8.501 1.941
201 H ASN 26 HN ASN 26 -1.882 6.753 2.261
202 HA ASN 26 HA ASN 26 0.851 6.863 2.986
203 HB2 ASN 26 HB2 ASN 26 0.200 5.147 4.719
204 HB3 ASN 26 HB1 ASN 26 -0.673 6.664 4.777
205 HD21 ASN 26 HD21 ASN 26 -1.188 3.838 2.689
206 HD22 ASN 26 HD22 ASN 26 -2.794 3.529 3.241
207 H PHE 27 HN PHE 27 -0.992 4.719 1.030
208 HA PHE 27 HA PHE 27 0.806 2.496 1.056
209 HB2 PHE 27 HB2 PHE 27 -1.518 2.229 0.338
210 HB3 PHE 27 HB1 PHE 27 -1.245 3.340 -1.002
211 HD1 PHE 27 HD1 PHE 27 0.035 0.152 0.416
212 HD2 PHE 27 HD2 PHE 27 -0.654 2.491 -3.067
213 HE1 PHE 27 HE1 PHE 27 0.747 -1.734 -0.982
214 HE2 PHE 27 HE2 PHE 27 0.059 0.606 -4.475
215 HZ PHE 27 HZ PHE 27 0.762 -1.501 -3.423
216 H ILE 28 HN ILE 28 0.234 5.176 -1.203
217 HA ILE 28 HA ILE 28 2.300 4.582 -2.993
218 HB ILE 28 HB ILE 28 1.266 7.333 -2.275
219 HG12 ILE 28 HG12 ILE 28 -0.607 5.944 -2.876
220 HG13 ILE 28 HG11 ILE 28 -0.246 6.994 -4.242
221 HG21 ILE 28 HG21 ILE 28 2.625 6.327 -4.772
222 HG22 ILE 28 HG22 ILE 28 3.331 7.401 -3.564
223 HG23 ILE 28 HG23 ILE 28 1.968 7.946 -4.542
224 HD11 ILE 28 HD11 ILE 28 0.519 4.094 -3.983
225 HD12 ILE 28 HD12 ILE 28 0.916 5.142 -5.344
226 HD13 ILE 28 HD13 ILE 28 -0.769 4.755 -4.991
227 H ARG 29 HN ARG 29 2.240 6.533 -0.063
228 HA ARG 29 HA ARG 29 4.852 7.522 -0.113
229 HB2 ARG 29 HB2 ARG 29 3.005 8.216 1.439
230 HB3 ARG 29 HB1 ARG 29 3.243 6.716 2.319
231 HG2 ARG 29 HG2 ARG 29 5.511 7.382 2.887
232 HG3 ARG 29 HG1 ARG 29 5.304 8.882 1.981
233 HD2 ARG 29 HD2 ARG 29 4.984 9.307 4.337
234 HD3 ARG 29 HD1 ARG 29 3.455 9.503 3.486
235 HE ARG 29 HE ARG 29 4.036 6.961 4.836
236 HH11 ARG 29 HH11 ARG 29 2.081 9.843 4.509
237 HH12 ARG 29 HH12 ARG 29 0.912 9.341 5.688
238 HH21 ARG 29 HH21 ARG 29 2.483 6.287 6.392
239 HH22 ARG 29 HH22 ARG 29 1.140 7.322 6.761
240 H HIS 30 HN HIS 30 3.542 4.521 1.176
241 HA HIS 30 HA HIS 30 5.851 3.520 2.413
242 HB2 HIS 30 HB2 HIS 30 3.736 2.596 2.957
243 HB3 HIS 30 HB1 HIS 30 3.370 2.249 1.278
244 HD1 HIS 30 HD1 HIS 30 6.100 1.076 3.722
245 HD2 HIS 30 HD2 HIS 30 3.445 -0.341 0.855
246 HE1 HIS 30 HE1 HIS 30 6.329 -1.453 3.710
247 H LEU 31 HN LEU 31 4.608 3.101 -0.881
248 HA LEU 31 HA LEU 31 6.738 1.357 -1.654
249 HB2 LEU 31 HB2 LEU 31 4.559 2.785 -3.131
250 HB3 LEU 31 HB1 LEU 31 5.868 2.033 -4.020
251 HG LEU 31 HG LEU 31 3.944 0.555 -3.941
252 HD11 LEU 31 HD11 LEU 31 4.990 -1.440 -3.058
253 HD12 LEU 31 HD12 LEU 31 6.147 -0.462 -2.157
254 HD13 LEU 31 HD13 LEU 31 6.170 -0.454 -3.921
255 HD21 LEU 31 HD21 LEU 31 3.137 -0.392 -1.842
256 HD22 LEU 31 HD22 LEU 31 2.912 1.356 -1.887
257 HD23 LEU 31 HD23 LEU 31 4.229 0.660 -0.943
258 H ARG 32 HN ARG 32 6.126 4.823 -1.917
259 HA ARG 32 HA ARG 32 8.377 5.421 -3.528
260 HB2 ARG 32 HB2 ARG 32 6.895 7.144 -1.537
261 HB3 ARG 32 HB1 ARG 32 8.130 7.740 -2.632
262 HG2 ARG 32 HG2 ARG 32 5.440 6.608 -3.349
263 HG3 ARG 32 HG1 ARG 32 6.003 8.267 -3.558
264 HD2 ARG 32 HD2 ARG 32 6.999 5.813 -4.988
265 HD3 ARG 32 HD1 ARG 32 6.049 7.124 -5.679
266 HE ARG 32 HE ARG 32 8.200 8.451 -4.839
267 HH11 ARG 32 HH11 ARG 32 7.909 5.460 -6.631
268 HH12 ARG 32 HH12 ARG 32 9.424 5.657 -7.452
269 HH21 ARG 32 HH21 ARG 32 10.207 8.710 -5.909
270 HH22 ARG 32 HH22 ARG 32 10.747 7.492 -7.020
271 H SER 33 HN SER 33 7.907 5.243 -0.037
272 HA SER 33 HA SER 33 10.402 6.199 0.780
273 HB2 SER 33 HB2 SER 33 8.425 5.806 2.262
274 HB3 SER 33 HB1 SER 33 8.727 4.074 2.143
275 HG SER 33 HG SER 33 9.872 4.508 3.874
276 H ARG 34 HN ARG 34 9.341 2.933 -0.073
277 HA ARG 34 HA ARG 34 11.778 1.629 0.511
278 HB2 ARG 34 HB2 ARG 34 9.542 0.919 -1.389
279 HB3 ARG 34 HB1 ARG 34 10.916 -0.131 -1.082
280 HG2 ARG 34 HG2 ARG 34 8.839 0.756 0.906
281 HG3 ARG 34 HG1 ARG 34 9.047 -0.860 0.228
282 HD2 ARG 34 HD2 ARG 34 11.476 -0.574 1.241
283 HD3 ARG 34 HD1 ARG 34 10.642 0.562 2.297
284 HE ARG 34 HE ARG 34 9.897 -2.282 2.022
285 HH11 ARG 34 HH11 ARG 34 10.331 0.590 3.994
286 HH12 ARG 34 HH12 ARG 34 9.793 -0.187 5.447
287 HH21 ARG 34 HH21 ARG 34 9.210 -3.291 3.936
288 HH22 ARG 34 HH22 ARG 34 9.171 -2.387 5.420
289 H ARG 35 HN ARG 35 10.481 3.039 -2.473
290 HA ARG 35 HA ARG 35 11.410 3.511 -4.489
291 HB2 ARG 35 HB2 ARG 35 12.722 5.065 -3.078
292 HB3 ARG 35 HB1 ARG 35 13.936 3.815 -2.852
293 HG2 ARG 35 HG2 ARG 35 14.431 3.833 -5.229
294 HG3 ARG 35 HG1 ARG 35 13.171 5.041 -5.494
295 HD2 ARG 35 HD2 ARG 35 15.615 5.418 -3.769
296 HD3 ARG 35 HD1 ARG 35 15.424 6.027 -5.412
297 HE ARG 35 HE ARG 35 13.356 6.874 -3.597
298 HH11 ARG 35 HH11 ARG 35 16.540 7.581 -4.854
299 HH12 ARG 35 HH12 ARG 35 16.435 9.278 -4.517
300 HH21 ARG 35 HH21 ARG 35 13.210 9.101 -3.150
301 HH22 ARG 35 HH22 ARG 35 14.532 10.147 -3.555
302 H GLU 36 HN GLU 36 11.018 1.363 -5.172
303 HA GLU 36 HA GLU 36 13.008 -0.676 -4.842
304 HB2 GLU 36 HB2 GLU 36 10.449 -0.581 -6.440
305 HB3 GLU 36 HB1 GLU 36 11.452 -2.016 -6.260
306 HG2 GLU 36 HG2 GLU 36 10.273 -0.533 -3.930
307 HG3 GLU 36 HG1 GLU 36 9.458 -1.867 -4.741
308 H GLN 37 HN GLN 37 14.562 0.964 -5.900
309 HA GLN 37 HA GLN 37 14.758 0.260 -8.757
310 HB2 GLN 37 HB2 GLN 37 15.656 2.794 -7.375
311 HB3 GLN 37 HB1 GLN 37 16.073 2.371 -9.028
312 HG2 GLN 37 HG2 GLN 37 13.723 2.415 -9.648
313 HG3 GLN 37 HG1 GLN 37 13.286 2.805 -7.984
314 HE21 GLN 37 HE21 GLN 37 14.741 3.967 -10.913
315 HE22 GLN 37 HE22 GLN 37 14.726 5.645 -10.498
316 H LYS 38 HN LYS 38 17.084 0.354 -9.512
317 HA LYS 38 HA LYS 38 18.839 -0.749 -7.424
318 HB2 LYS 38 HB2 LYS 38 18.738 -1.331 -10.387
319 HB3 LYS 38 HB1 LYS 38 20.037 -1.870 -9.333
320 HG2 LYS 38 HG2 LYS 38 18.401 -3.129 -7.994
321 HG3 LYS 38 HG1 LYS 38 17.132 -2.631 -9.117
322 HD2 LYS 38 HD2 LYS 38 18.226 -3.781 -10.932
323 HD3 LYS 38 HD1 LYS 38 19.601 -4.174 -9.899
324 HE2 LYS 38 HE2 LYS 38 18.124 -5.522 -8.473
325 HE3 LYS 38 HE1 LYS 38 16.769 -5.149 -9.540
326 HZ1 LYS 38 HZ1 LYS 38 17.742 -7.313 -10.029
327 HZ2 LYS 38 HZ2 LYS 38 19.237 -6.591 -10.342
328 HZ3 LYS 38 HZ3 LYS 38 17.913 -6.259 -11.340
329 HA PRO 39 HA PRO 39 20.780 3.267 -8.179
330 HB2 PRO 39 HB2 PRO 39 22.589 2.156 -6.103
331 HB3 PRO 39 HB1 PRO 39 21.773 3.722 -6.166
332 HG2 PRO 39 HG2 PRO 39 20.915 1.800 -4.530
333 HG3 PRO 39 HG1 PRO 39 19.774 2.862 -5.375
334 HD2 PRO 39 HD2 PRO 39 20.527 0.030 -5.966
335 HD3 PRO 39 HD1 PRO 39 18.946 0.829 -6.089
336 H HIS 40 HN HIS 40 22.442 0.150 -7.922
337 HA HIS 40 HA HIS 40 24.068 0.878 -10.209
338 HB2 HIS 40 HB2 HIS 40 25.295 1.628 -8.108
339 HB3 HIS 40 HB1 HIS 40 25.453 -0.079 -7.707
340 HD1 HIS 40 HD1 HIS 40 27.062 2.592 -9.557
341 HD2 HIS 40 HD2 HIS 40 26.976 -1.559 -9.755
342 HE1 HIS 40 HE1 HIS 40 29.048 1.941 -10.950
343 HE2 HIS 40 HE2 HIS 40 29.030 -0.577 -10.978
344 H LYS 41 HN LYS 41 23.390 -1.576 -7.722
345 HA LYS 41 HA LYS 41 24.324 -3.659 -9.521
346 HB2 LYS 41 HB2 LYS 41 23.778 -5.172 -7.564
347 HB3 LYS 41 HB1 LYS 41 25.053 -3.994 -7.306
348 HG2 LYS 41 HG2 LYS 41 23.782 -2.728 -5.863
349 HG3 LYS 41 HG1 LYS 41 22.255 -3.343 -6.498
350 HD2 LYS 41 HD2 LYS 41 24.238 -4.958 -4.898
351 HD3 LYS 41 HD1 LYS 41 22.790 -4.195 -4.235
352 HE2 LYS 41 HE2 LYS 41 22.908 -6.368 -6.324
353 HE3 LYS 41 HE1 LYS 41 22.329 -6.519 -4.668
354 HZ1 LYS 41 HZ1 LYS 41 20.557 -4.929 -5.221
355 HZ2 LYS 41 HZ2 LYS 41 20.478 -6.329 -6.161
356 HZ3 LYS 41 HZ3 LYS 41 21.087 -4.898 -6.831
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 -16.705 -15.810 -10.655
2 H2 GLY 1 HT2 GLY 1 -15.834 -15.569 -12.083
3 H3 GLY 1 HT3 GLY 1 -17.318 -16.377 -12.125
4 HA2 GLY 1 HA1 GLY 1 -17.547 -14.119 -12.937
5 HA3 GLY 1 HA2 GLY 1 -18.481 -14.387 -11.473
6 H ALA 2 HN ALA 2 -17.970 -13.303 -9.623
7 HA ALA 2 HA ALA 2 -17.227 -11.593 -8.339
8 HB1 ALA 2 HB1 ALA 2 -15.171 -12.939 -8.324
9 HB2 ALA 2 HB2 ALA 2 -14.833 -11.213 -8.222
10 HB3 ALA 2 HB3 ALA 2 -14.601 -12.067 -9.746
11 H MET 3 HN MET 3 -15.468 -9.508 -8.753
12 HA MET 3 HA MET 3 -15.214 -7.469 -9.713
13 HB2 MET 3 HB2 MET 3 -16.267 -8.847 -12.190
14 HB3 MET 3 HB1 MET 3 -15.590 -7.225 -12.159
15 HG2 MET 3 HG2 MET 3 -13.440 -8.031 -11.611
16 HG3 MET 3 HG1 MET 3 -14.058 -9.642 -11.257
17 HE1 MET 3 HE1 MET 3 -13.338 -7.001 -14.088
18 HE2 MET 3 HE2 MET 3 -15.055 -7.346 -14.295
19 HE3 MET 3 HE3 MET 3 -13.896 -7.868 -15.518
20 H GLU 4 HN GLU 4 -17.689 -8.326 -8.401
21 HA GLU 4 HA GLU 4 -19.778 -6.814 -9.727
22 HB2 GLU 4 HB2 GLU 4 -19.697 -8.307 -7.105
23 HB3 GLU 4 HB1 GLU 4 -21.110 -7.442 -7.688
24 HG2 GLU 4 HG2 GLU 4 -19.768 -9.734 -9.098
25 HG3 GLU 4 HG1 GLU 4 -21.233 -9.846 -8.123
26 H VAL 5 HN VAL 5 -18.360 -4.871 -9.640
27 HA VAL 5 HA VAL 5 -17.776 -2.835 -8.835
28 HB VAL 5 HB VAL 5 -19.927 -3.181 -6.743
29 HG11 VAL 5 HG11 VAL 5 -18.500 -1.220 -6.478
30 HG12 VAL 5 HG12 VAL 5 -20.133 -0.749 -6.945
31 HG13 VAL 5 HG13 VAL 5 -18.837 -0.736 -8.140
32 HG21 VAL 5 HG21 VAL 5 -21.510 -2.242 -8.347
33 HG22 VAL 5 HG22 VAL 5 -20.861 -3.778 -8.921
34 HG23 VAL 5 HG23 VAL 5 -20.266 -2.261 -9.596
35 H GLN 6 HN GLN 6 -16.040 -4.590 -8.093
36 HA GLN 6 HA GLN 6 -15.238 -3.692 -5.455
37 HB2 GLN 6 HB2 GLN 6 -16.519 -6.036 -5.458
38 HB3 GLN 6 HB1 GLN 6 -14.938 -6.622 -5.946
39 HG2 GLN 6 HG2 GLN 6 -15.327 -4.909 -3.513
40 HG3 GLN 6 HG1 GLN 6 -15.492 -6.660 -3.468
41 HE21 GLN 6 HE21 GLN 6 -13.378 -7.211 -5.326
42 HE22 GLN 6 HE22 GLN 6 -11.893 -6.869 -4.508
43 H THR 7 HN THR 7 -13.882 -2.522 -6.977
44 HA THR 7 HA THR 7 -11.812 -4.039 -8.326
45 HB THR 7 HB THR 7 -10.932 -1.671 -8.813
46 HG1 THR 7 HG1 THR 7 -12.081 -0.558 -7.200
47 HG21 THR 7 HG21 THR 7 -13.692 -2.420 -9.790
48 HG22 THR 7 HG22 THR 7 -12.172 -3.018 -10.455
49 HG23 THR 7 HG23 THR 7 -12.577 -1.307 -10.585
50 H SER 8 HN SER 8 -11.557 -4.826 -5.894
51 HA SER 8 HA SER 8 -10.405 -4.907 -3.949
52 HB2 SER 8 HB2 SER 8 -8.495 -4.947 -5.558
53 HB3 SER 8 HB1 SER 8 -8.381 -3.194 -5.415
54 HG SER 8 HG SER 8 -7.417 -3.409 -3.562
55 H GLN 9 HN GLN 9 -12.026 -3.715 -2.888
56 HA GLN 9 HA GLN 9 -12.093 -0.880 -2.851
57 HB2 GLN 9 HB2 GLN 9 -13.335 -2.861 -0.933
58 HB3 GLN 9 HB1 GLN 9 -13.749 -1.156 -1.051
59 HG2 GLN 9 HG2 GLN 9 -14.105 -3.196 -3.236
60 HG3 GLN 9 HG1 GLN 9 -15.378 -2.595 -2.177
61 HE21 GLN 9 HE21 GLN 9 -14.351 0.133 -2.197
62 HE22 GLN 9 HE22 GLN 9 -14.740 0.786 -3.748
63 H LYS 10 HN LYS 10 -10.142 -0.047 -2.242
64 HA LYS 10 HA LYS 10 -8.542 0.765 -0.859
65 HB2 LYS 10 HB2 LYS 10 -10.651 0.191 1.226
66 HB3 LYS 10 HB1 LYS 10 -9.217 1.172 1.495
67 HG2 LYS 10 HG2 LYS 10 -11.410 1.773 -0.482
68 HG3 LYS 10 HG1 LYS 10 -11.193 2.547 1.089
69 HD2 LYS 10 HD2 LYS 10 -9.038 3.431 0.373
70 HD3 LYS 10 HD1 LYS 10 -9.205 2.617 -1.182
71 HE2 LYS 10 HE2 LYS 10 -11.062 4.744 -0.127
72 HE3 LYS 10 HE1 LYS 10 -9.769 5.014 -1.293
73 HZ1 LYS 10 HZ1 LYS 10 -11.922 4.759 -2.370
74 HZ2 LYS 10 HZ2 LYS 10 -12.100 3.221 -1.700
75 HZ3 LYS 10 HZ3 LYS 10 -10.871 3.515 -2.822
76 H SER 11 HN SER 11 -7.982 -1.714 -1.590
77 HA SER 11 HA SER 11 -6.759 -2.877 0.813
78 HB2 SER 11 HB2 SER 11 -7.953 -4.502 -1.445
79 HB3 SER 11 HB1 SER 11 -7.262 -5.117 0.057
80 HG SER 11 HG SER 11 -9.214 -3.299 0.541
81 H TYR 12 HN TYR 12 -4.932 -1.634 0.092
82 HA TYR 12 HA TYR 12 -3.807 -2.277 -2.523
83 HB2 TYR 12 HB2 TYR 12 -2.798 -0.340 -0.437
84 HB3 TYR 12 HB1 TYR 12 -2.295 -0.432 -2.120
85 HD1 TYR 12 HD1 TYR 12 -4.861 0.723 0.194
86 HD2 TYR 12 HD2 TYR 12 -3.760 0.401 -3.902
87 HE1 TYR 12 HE1 TYR 12 -6.591 2.362 -0.392
88 HE2 TYR 12 HE2 TYR 12 -5.489 2.043 -4.499
89 HH TYR 12 HH TYR 12 -7.625 2.889 -3.556
90 H VAL 13 HN VAL 13 -2.380 -3.887 -2.711
91 HA VAL 13 HA VAL 13 -0.951 -4.756 -0.288
92 HB VAL 13 HB VAL 13 -1.366 -6.410 -2.770
93 HG11 VAL 13 HG11 VAL 13 -0.676 -7.143 0.070
94 HG12 VAL 13 HG12 VAL 13 0.422 -7.146 -1.310
95 HG13 VAL 13 HG13 VAL 13 -0.925 -8.284 -1.252
96 HG21 VAL 13 HG21 VAL 13 -3.570 -5.831 -1.956
97 HG22 VAL 13 HG22 VAL 13 -3.119 -6.300 -0.318
98 HG23 VAL 13 HG23 VAL 13 -3.225 -7.520 -1.586
99 H CYS 14 HN CYS 14 1.097 -4.074 -0.244
100 HA CYS 14 HA CYS 14 2.640 -3.479 -2.570
101 HB2 CYS 14 HB2 CYS 14 3.249 -2.374 -0.533
102 HB3 CYS 14 HB1 CYS 14 3.393 -3.901 0.328
103 HA PRO 15 HA PRO 15 3.358 -7.731 -3.606
104 HB2 PRO 15 HB2 PRO 15 5.155 -7.303 -5.610
105 HB3 PRO 15 HB1 PRO 15 3.412 -7.073 -5.799
106 HG2 PRO 15 HG2 PRO 15 5.546 -5.039 -5.285
107 HG3 PRO 15 HG1 PRO 15 4.164 -4.955 -6.391
108 HD2 PRO 15 HD2 PRO 15 4.161 -3.734 -3.984
109 HD3 PRO 15 HD1 PRO 15 2.685 -4.412 -4.703
110 H ASN 16 HN ASN 16 5.757 -5.547 -2.459
111 HA ASN 16 HA ASN 16 7.847 -7.571 -2.443
112 HB2 ASN 16 HB2 ASN 16 8.316 -5.152 -2.980
113 HB3 ASN 16 HB1 ASN 16 7.979 -4.781 -1.293
114 HD21 ASN 16 HD21 ASN 16 10.171 -6.237 -3.523
115 HD22 ASN 16 HD22 ASN 16 11.479 -6.467 -2.418
116 H CYS 17 HN CYS 17 5.594 -6.063 -0.229
117 HA CYS 17 HA CYS 17 6.982 -7.377 2.014
118 HB2 CYS 17 HB2 CYS 17 5.119 -5.009 2.182
119 HB3 CYS 17 HB1 CYS 17 6.124 -5.666 3.470
120 H GLY 18 HN GLY 18 4.055 -7.333 0.229
121 HA2 GLY 18 HA2 GLY 18 2.045 -8.426 0.554
122 HA3 GLY 18 HA1 GLY 18 2.752 -9.204 1.968
123 H LYS 19 HN LYS 19 3.104 -5.879 1.939
124 HA LYS 19 HA LYS 19 1.482 -5.546 4.276
125 HB2 LYS 19 HB2 LYS 19 3.705 -4.450 3.915
126 HB3 LYS 19 HB1 LYS 19 2.984 -3.488 2.636
127 HG2 LYS 19 HG2 LYS 19 3.066 -2.105 4.529
128 HG3 LYS 19 HG1 LYS 19 1.381 -2.606 4.373
129 HD2 LYS 19 HD2 LYS 19 1.735 -4.317 6.078
130 HD3 LYS 19 HD1 LYS 19 3.421 -3.824 6.231
131 HE2 LYS 19 HE2 LYS 19 2.740 -1.625 6.987
132 HE3 LYS 19 HE1 LYS 19 1.044 -2.043 6.750
133 HZ1 LYS 19 HZ1 LYS 19 2.873 -3.381 8.667
134 HZ2 LYS 19 HZ2 LYS 19 1.225 -3.702 8.473
135 HZ3 LYS 19 HZ3 LYS 19 1.731 -2.204 9.076
136 H ILE 20 HN ILE 20 -0.583 -4.922 4.306
137 HA ILE 20 HA ILE 20 -1.754 -3.932 1.804
138 HB ILE 20 HB ILE 20 -3.169 -5.209 4.150
139 HG12 ILE 20 HG12 ILE 20 -2.374 -6.320 1.455
140 HG13 ILE 20 HG11 ILE 20 -1.760 -6.832 3.022
141 HG21 ILE 20 HG21 ILE 20 -4.172 -4.459 1.404
142 HG22 ILE 20 HG22 ILE 20 -4.582 -3.651 2.915
143 HG23 ILE 20 HG23 ILE 20 -5.095 -5.315 2.638
144 HD11 ILE 20 HD11 ILE 20 -4.587 -7.148 2.044
145 HD12 ILE 20 HD12 ILE 20 -3.975 -7.654 3.621
146 HD13 ILE 20 HD13 ILE 20 -3.368 -8.419 2.152
147 H PHE 21 HN PHE 21 -2.617 -1.987 1.707
148 HA PHE 21 HA PHE 21 -2.902 -0.468 4.205
149 HB2 PHE 21 HB2 PHE 21 -2.018 0.422 1.466
150 HB3 PHE 21 HB1 PHE 21 -2.577 1.562 2.687
151 HD1 PHE 21 HD1 PHE 21 0.059 -0.816 1.778
152 HD2 PHE 21 HD2 PHE 21 -1.229 2.102 4.589
153 HE1 PHE 21 HE1 PHE 21 2.317 -0.763 2.746
154 HE2 PHE 21 HE2 PHE 21 1.020 2.155 5.570
155 HZ PHE 21 HZ PHE 21 2.802 0.753 4.643
156 H ARG 22 HN ARG 22 -4.641 0.924 4.379
157 HA ARG 22 HA ARG 22 -6.962 0.068 2.830
158 HB2 ARG 22 HB2 ARG 22 -6.743 0.143 5.433
159 HB3 ARG 22 HB1 ARG 22 -7.056 1.860 5.230
160 HG2 ARG 22 HG2 ARG 22 -9.132 1.234 3.982
161 HG3 ARG 22 HG1 ARG 22 -8.834 -0.435 4.478
162 HD2 ARG 22 HD2 ARG 22 -9.298 1.947 6.270
163 HD3 ARG 22 HD1 ARG 22 -10.379 0.581 6.026
164 HE ARG 22 HE ARG 22 -7.804 -0.209 7.003
165 HH11 ARG 22 HH11 ARG 22 -10.971 0.964 7.944
166 HH12 ARG 22 HH12 ARG 22 -10.815 0.430 9.587
167 HH21 ARG 22 HH21 ARG 22 -7.596 -0.890 9.176
168 HH22 ARG 22 HH22 ARG 22 -8.901 -0.616 10.287
169 H TRP 23 HN TRP 23 -4.784 2.649 3.104
170 HA TRP 23 HA TRP 23 -6.636 4.451 1.689
171 HB2 TRP 23 HB2 TRP 23 -4.379 5.263 3.535
172 HB3 TRP 23 HB1 TRP 23 -5.509 6.345 2.725
173 HD1 TRP 23 HD1 TRP 23 -5.004 4.620 5.929
174 HE1 TRP 23 HE1 TRP 23 -7.149 4.693 7.360
175 HE3 TRP 23 HE3 TRP 23 -8.312 6.151 2.352
176 HZ2 TRP 23 HZ2 TRP 23 -9.879 5.315 7.001
177 HZ3 TRP 23 HZ3 TRP 23 -10.670 6.457 2.983
178 HH2 TRP 23 HH2 TRP 23 -11.436 6.048 5.255
179 H ARG 24 HN ARG 24 -5.790 5.707 0.035
180 HA ARG 24 HA ARG 24 -3.779 4.422 -1.513
181 HB2 ARG 24 HB2 ARG 24 -5.715 5.530 -2.529
182 HB3 ARG 24 HB1 ARG 24 -5.167 7.079 -1.906
183 HG2 ARG 24 HG2 ARG 24 -3.100 6.816 -3.281
184 HG3 ARG 24 HG1 ARG 24 -3.833 5.380 -4.000
185 HD2 ARG 24 HD2 ARG 24 -5.715 6.738 -4.781
186 HD3 ARG 24 HD1 ARG 24 -4.979 8.170 -4.063
187 HE ARG 24 HE ARG 24 -3.385 6.728 -6.022
188 HH11 ARG 24 HH11 ARG 24 -5.528 9.420 -5.369
189 HH12 ARG 24 HH12 ARG 24 -5.037 10.311 -6.776
190 HH21 ARG 24 HH21 ARG 24 -2.752 7.887 -7.871
191 HH22 ARG 24 HH22 ARG 24 -3.461 9.436 -8.200
192 H VAL 25 HN VAL 25 -3.868 7.314 0.499
193 HA VAL 25 HA VAL 25 -1.567 8.530 -0.598
194 HB VAL 25 HB VAL 25 -1.578 9.928 1.503
195 HG11 VAL 25 HG11 VAL 25 -3.650 11.095 0.891
196 HG12 VAL 25 HG12 VAL 25 -4.137 9.704 -0.078
197 HG13 VAL 25 HG13 VAL 25 -2.707 10.635 -0.526
198 HG21 VAL 25 HG21 VAL 25 -3.558 9.775 2.948
199 HG22 VAL 25 HG22 VAL 25 -2.582 8.308 3.031
200 HG23 VAL 25 HG23 VAL 25 -4.071 8.323 2.086
201 H ASN 26 HN ASN 26 -1.991 6.614 2.375
202 HA ASN 26 HA ASN 26 0.782 6.769 3.002
203 HB2 ASN 26 HB2 ASN 26 0.236 4.980 4.708
204 HB3 ASN 26 HB1 ASN 26 -0.613 6.502 4.878
205 HD21 ASN 26 HD21 ASN 26 -1.361 3.853 2.652
206 HD22 ASN 26 HD22 ASN 26 -2.903 3.502 3.341
207 H PHE 27 HN PHE 27 -1.133 4.651 1.050
208 HA PHE 27 HA PHE 27 0.664 2.449 0.939
209 HB2 PHE 27 HB2 PHE 27 -1.656 2.266 0.159
210 HB3 PHE 27 HB1 PHE 27 -1.314 3.414 -1.135
211 HD1 PHE 27 HD1 PHE 27 0.057 0.239 0.235
212 HD2 PHE 27 HD2 PHE 27 -0.868 2.542 -3.217
213 HE1 PHE 27 HE1 PHE 27 0.790 -1.620 -1.189
214 HE2 PHE 27 HE2 PHE 27 -0.137 0.683 -4.653
215 HZ PHE 27 HZ PHE 27 0.696 -1.394 -3.630
216 H ILE 28 HN ILE 28 0.179 5.257 -1.186
217 HA ILE 28 HA ILE 28 2.284 4.701 -2.953
218 HB ILE 28 HB ILE 28 1.171 7.406 -2.182
219 HG12 ILE 28 HG12 ILE 28 -0.606 5.983 -2.975
220 HG13 ILE 28 HG11 ILE 28 -0.203 7.127 -4.250
221 HG21 ILE 28 HG21 ILE 28 3.308 7.604 -3.324
222 HG22 ILE 28 HG22 ILE 28 1.993 8.154 -4.363
223 HG23 ILE 28 HG23 ILE 28 2.723 6.570 -4.628
224 HD11 ILE 28 HD11 ILE 28 1.101 5.387 -5.379
225 HD12 ILE 28 HD12 ILE 28 -0.586 4.924 -5.166
226 HD13 ILE 28 HD13 ILE 28 0.653 4.244 -4.112
227 H ARG 29 HN ARG 29 2.190 6.303 0.149
228 HA ARG 29 HA ARG 29 4.796 7.348 0.223
229 HB2 ARG 29 HB2 ARG 29 2.987 7.878 1.834
230 HB3 ARG 29 HB1 ARG 29 3.123 6.254 2.490
231 HG2 ARG 29 HG2 ARG 29 5.429 6.732 3.175
232 HG3 ARG 29 HG1 ARG 29 5.255 8.377 2.559
233 HD2 ARG 29 HD2 ARG 29 3.407 8.755 4.118
234 HD3 ARG 29 HD1 ARG 29 3.601 7.118 4.741
235 HE ARG 29 HE ARG 29 6.039 8.137 5.136
236 HH11 ARG 29 HH11 ARG 29 2.863 9.415 5.831
237 HH12 ARG 29 HH12 ARG 29 3.384 10.319 7.214
238 HH21 ARG 29 HH21 ARG 29 6.737 9.328 6.963
239 HH22 ARG 29 HH22 ARG 29 5.586 10.262 7.861
240 H HIS 30 HN HIS 30 3.501 4.198 1.152
241 HA HIS 30 HA HIS 30 5.906 3.125 2.188
242 HB2 HIS 30 HB2 HIS 30 3.763 2.210 2.813
243 HB3 HIS 30 HB1 HIS 30 3.383 1.835 1.141
244 HD1 HIS 30 HD1 HIS 30 6.191 0.791 3.554
245 HD2 HIS 30 HD2 HIS 30 3.594 -0.756 0.706
246 HE1 HIS 30 HE1 HIS 30 6.591 -1.716 3.502
247 H LEU 31 HN LEU 31 4.433 3.087 -1.015
248 HA LEU 31 HA LEU 31 6.451 1.372 -2.127
249 HB2 LEU 31 HB2 LEU 31 4.167 2.939 -3.247
250 HB3 LEU 31 HB1 LEU 31 5.403 2.331 -4.329
251 HG LEU 31 HG LEU 31 3.414 0.856 -4.184
252 HD11 LEU 31 HD11 LEU 31 4.641 -1.232 -3.885
253 HD12 LEU 31 HD12 LEU 31 5.965 -0.349 -3.124
254 HD13 LEU 31 HD13 LEU 31 5.576 -0.064 -4.820
255 HD21 LEU 31 HD21 LEU 31 3.068 -0.490 -2.170
256 HD22 LEU 31 HD22 LEU 31 2.826 1.226 -1.850
257 HD23 LEU 31 HD23 LEU 31 4.315 0.435 -1.336
258 H ARG 32 HN ARG 32 5.956 4.809 -1.804
259 HA ARG 32 HA ARG 32 8.009 5.672 -3.548
260 HB2 ARG 32 HB2 ARG 32 6.278 7.188 -2.693
261 HB3 ARG 32 HB1 ARG 32 6.897 6.988 -1.061
262 HG2 ARG 32 HG2 ARG 32 8.969 8.070 -1.681
263 HG3 ARG 32 HG1 ARG 32 8.421 8.206 -3.352
264 HD2 ARG 32 HD2 ARG 32 8.130 10.314 -2.171
265 HD3 ARG 32 HD1 ARG 32 6.574 9.629 -2.634
266 HE ARG 32 HE ARG 32 7.469 9.013 0.055
267 HH11 ARG 32 HH11 ARG 32 5.569 11.135 -1.987
268 HH12 ARG 32 HH12 ARG 32 4.576 11.706 -0.685
269 HH21 ARG 32 HH21 ARG 32 6.180 9.781 1.769
270 HH22 ARG 32 HH22 ARG 32 4.930 10.945 1.452
271 H SER 33 HN SER 33 7.920 4.772 -0.157
272 HA SER 33 HA SER 33 10.740 5.172 0.237
273 HB2 SER 33 HB2 SER 33 8.789 3.590 1.932
274 HB3 SER 33 HB1 SER 33 10.354 4.233 2.437
275 HG SER 33 HG SER 33 7.955 5.617 1.866
276 H ARG 34 HN ARG 34 10.754 3.814 -1.953
277 HA ARG 34 HA ARG 34 10.646 0.959 -1.599
278 HB2 ARG 34 HB2 ARG 34 10.269 2.559 -3.729
279 HB3 ARG 34 HB1 ARG 34 11.952 2.127 -3.985
280 HG2 ARG 34 HG2 ARG 34 11.444 -0.168 -4.154
281 HG3 ARG 34 HG1 ARG 34 9.813 0.072 -3.524
282 HD2 ARG 34 HD2 ARG 34 10.886 1.062 -6.164
283 HD3 ARG 34 HD1 ARG 34 9.753 -0.269 -5.928
284 HE ARG 34 HE ARG 34 8.740 2.117 -4.772
285 HH11 ARG 34 HH11 ARG 34 9.207 0.512 -7.847
286 HH12 ARG 34 HH12 ARG 34 7.962 1.411 -8.652
287 HH21 ARG 34 HH21 ARG 34 7.076 3.283 -5.821
288 HH22 ARG 34 HH22 ARG 34 6.742 2.984 -7.497
289 H ARG 35 HN ARG 35 12.235 1.547 0.247
290 HA ARG 35 HA ARG 35 14.987 1.073 -0.695
291 HB2 ARG 35 HB2 ARG 35 15.664 1.843 1.586
292 HB3 ARG 35 HB1 ARG 35 14.850 3.084 0.643
293 HG2 ARG 35 HG2 ARG 35 12.762 2.597 1.847
294 HG3 ARG 35 HG1 ARG 35 13.628 1.411 2.825
295 HD2 ARG 35 HD2 ARG 35 15.065 3.138 3.711
296 HD3 ARG 35 HD1 ARG 35 14.317 4.340 2.660
297 HE ARG 35 HE ARG 35 12.361 3.083 4.276
298 HH11 ARG 35 HH11 ARG 35 14.985 5.388 4.464
299 HH12 ARG 35 HH12 ARG 35 14.272 6.295 5.757
300 HH21 ARG 35 HH21 ARG 35 11.404 4.276 5.973
301 HH22 ARG 35 HH22 ARG 35 12.224 5.659 6.622
302 H GLU 36 HN GLU 36 12.771 -0.802 -0.449
303 HA GLU 36 HA GLU 36 13.203 -2.350 1.948
304 HB2 GLU 36 HB2 GLU 36 11.534 -3.104 -0.451
305 HB3 GLU 36 HB1 GLU 36 11.339 -3.638 1.216
306 HG2 GLU 36 HG2 GLU 36 10.644 -1.441 1.897
307 HG3 GLU 36 HG1 GLU 36 10.977 -0.798 0.292
308 H GLN 37 HN GLN 37 14.168 -2.331 -1.362
309 HA GLN 37 HA GLN 37 15.959 -4.589 -0.808
310 HB2 GLN 37 HB2 GLN 37 14.385 -4.090 -3.336
311 HB3 GLN 37 HB1 GLN 37 15.765 -5.177 -3.262
312 HG2 GLN 37 HG2 GLN 37 13.207 -5.442 -1.701
313 HG3 GLN 37 HG1 GLN 37 13.690 -6.408 -3.095
314 HE21 GLN 37 HE21 GLN 37 13.055 -7.235 -0.369
315 HE22 GLN 37 HE22 GLN 37 14.446 -8.080 0.211
316 H LYS 38 HN LYS 38 15.376 -2.152 -3.338
317 HA LYS 38 HA LYS 38 16.701 -0.634 -4.352
318 HB2 LYS 38 HB2 LYS 38 16.924 0.344 -2.144
319 HB3 LYS 38 HB1 LYS 38 18.223 -0.769 -1.745
320 HG2 LYS 38 HG2 LYS 38 19.124 1.411 -2.256
321 HG3 LYS 38 HG1 LYS 38 19.619 0.254 -3.488
322 HD2 LYS 38 HD2 LYS 38 19.006 2.045 -4.788
323 HD3 LYS 38 HD1 LYS 38 17.500 1.134 -4.748
324 HE2 LYS 38 HE2 LYS 38 18.177 3.464 -2.955
325 HE3 LYS 38 HE1 LYS 38 17.172 3.555 -4.397
326 HZ1 LYS 38 HZ1 LYS 38 16.584 2.057 -1.904
327 HZ2 LYS 38 HZ2 LYS 38 15.650 1.954 -3.312
328 HZ3 LYS 38 HZ3 LYS 38 15.779 3.425 -2.488
329 HA PRO 39 HA PRO 39 19.787 -3.613 -5.898
330 HB2 PRO 39 HB2 PRO 39 19.011 -2.615 -8.513
331 HB3 PRO 39 HB1 PRO 39 18.861 -4.249 -7.867
332 HG2 PRO 39 HG2 PRO 39 16.722 -2.642 -8.375
333 HG3 PRO 39 HG1 PRO 39 16.722 -3.899 -7.125
334 HD2 PRO 39 HD2 PRO 39 17.097 -0.941 -6.843
335 HD3 PRO 39 HD1 PRO 39 16.183 -2.066 -5.816
336 H HIS 40 HN HIS 40 21.851 -3.124 -6.473
337 HA HIS 40 HA HIS 40 22.605 -0.341 -6.524
338 HB2 HIS 40 HB2 HIS 40 23.903 -2.192 -5.355
339 HB3 HIS 40 HB1 HIS 40 24.407 -2.730 -6.952
340 HD1 HIS 40 HD1 HIS 40 26.400 -1.575 -7.963
341 HD2 HIS 40 HD2 HIS 40 24.857 0.467 -4.685
342 HE1 HIS 40 HE1 HIS 40 28.050 0.253 -7.466
343 HE2 HIS 40 HE2 HIS 40 27.002 1.583 -5.602
344 H LYS 41 HN LYS 41 21.962 -2.842 -8.763
345 HA LYS 41 HA LYS 41 23.074 -1.257 -10.973
346 HB2 LYS 41 HB2 LYS 41 22.181 -4.141 -10.845
347 HB3 LYS 41 HB1 LYS 41 22.680 -3.336 -12.323
348 HG2 LYS 41 HG2 LYS 41 24.417 -3.684 -9.890
349 HG3 LYS 41 HG1 LYS 41 24.439 -4.735 -11.306
350 HD2 LYS 41 HD2 LYS 41 25.014 -1.774 -11.330
351 HD3 LYS 41 HD1 LYS 41 26.234 -3.045 -11.347
352 HE2 LYS 41 HE2 LYS 41 24.130 -2.572 -13.452
353 HE3 LYS 41 HE1 LYS 41 25.842 -2.182 -13.588
354 HZ1 LYS 41 HZ1 LYS 41 24.734 -4.917 -13.241
355 HZ2 LYS 41 HZ2 LYS 41 26.366 -4.524 -13.432
356 HZ3 LYS 41 HZ3 LYS 41 25.282 -4.262 -14.699
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 -6.634 -17.714 8.787
2 H2 GLY 1 HT2 GLY 1 -7.327 -16.393 7.985
3 H3 GLY 1 HT3 GLY 1 -8.308 -17.487 8.827
4 HA2 GLY 1 HA1 GLY 1 -8.045 -15.458 10.087
5 HA3 GLY 1 HA2 GLY 1 -7.345 -16.837 10.917
6 H ALA 2 HN ALA 2 -5.725 -15.509 8.149
7 HA ALA 2 HA ALA 2 -3.984 -13.828 9.734
8 HB1 ALA 2 HB1 ALA 2 -2.857 -16.282 8.383
9 HB2 ALA 2 HB2 ALA 2 -3.042 -16.069 10.123
10 HB3 ALA 2 HB3 ALA 2 -1.938 -15.034 9.221
11 H MET 3 HN MET 3 -4.313 -15.542 6.635
12 HA MET 3 HA MET 3 -3.606 -13.029 5.277
13 HB2 MET 3 HB2 MET 3 -2.824 -15.856 4.615
14 HB3 MET 3 HB1 MET 3 -2.782 -14.580 3.408
15 HG2 MET 3 HG2 MET 3 -1.277 -14.550 6.013
16 HG3 MET 3 HG1 MET 3 -0.597 -14.981 4.444
17 HE1 MET 3 HE1 MET 3 1.323 -13.177 4.751
18 HE2 MET 3 HE2 MET 3 0.659 -12.761 6.330
19 HE3 MET 3 HE3 MET 3 1.019 -11.489 5.163
20 H GLU 4 HN GLU 4 -5.907 -12.627 5.343
21 HA GLU 4 HA GLU 4 -7.498 -14.242 3.492
22 HB2 GLU 4 HB2 GLU 4 -8.228 -12.128 5.517
23 HB3 GLU 4 HB1 GLU 4 -9.374 -12.705 4.318
24 HG2 GLU 4 HG2 GLU 4 -9.754 -13.853 6.379
25 HG3 GLU 4 HG1 GLU 4 -9.103 -14.989 5.202
26 H VAL 5 HN VAL 5 -7.831 -13.587 1.472
27 HA VAL 5 HA VAL 5 -6.911 -10.933 0.688
28 HB VAL 5 HB VAL 5 -7.809 -13.241 -1.048
29 HG11 VAL 5 HG11 VAL 5 -8.080 -11.083 -2.156
30 HG12 VAL 5 HG12 VAL 5 -6.763 -12.004 -2.884
31 HG13 VAL 5 HG13 VAL 5 -6.405 -10.672 -1.785
32 HG21 VAL 5 HG21 VAL 5 -5.427 -13.566 -1.508
33 HG22 VAL 5 HG22 VAL 5 -5.787 -13.775 0.206
34 HG23 VAL 5 HG23 VAL 5 -5.032 -12.287 -0.361
35 H GLN 6 HN GLN 6 -9.828 -12.928 0.641
36 HA GLN 6 HA GLN 6 -11.393 -10.859 -0.622
37 HB2 GLN 6 HB2 GLN 6 -12.241 -13.466 0.652
38 HB3 GLN 6 HB1 GLN 6 -13.312 -12.380 -0.221
39 HG2 GLN 6 HG2 GLN 6 -11.854 -12.685 -2.224
40 HG3 GLN 6 HG1 GLN 6 -10.982 -13.926 -1.323
41 HE21 GLN 6 HE21 GLN 6 -13.943 -13.083 -2.914
42 HE22 GLN 6 HE22 GLN 6 -14.620 -14.674 -2.934
43 H THR 7 HN THR 7 -10.655 -9.333 1.095
44 HA THR 7 HA THR 7 -12.852 -8.894 2.882
45 HB THR 7 HB THR 7 -11.442 -10.392 4.265
46 HG1 THR 7 HG1 THR 7 -12.235 -9.181 5.792
47 HG21 THR 7 HG21 THR 7 -9.261 -9.632 5.068
48 HG22 THR 7 HG22 THR 7 -9.360 -8.218 4.019
49 HG23 THR 7 HG23 THR 7 -9.253 -9.832 3.316
50 H SER 8 HN SER 8 -12.275 -6.822 4.241
51 HA SER 8 HA SER 8 -11.760 -4.616 4.293
52 HB2 SER 8 HB2 SER 8 -9.639 -5.246 2.228
53 HB3 SER 8 HB1 SER 8 -9.719 -3.813 3.254
54 HG SER 8 HG SER 8 -9.822 -6.057 4.749
55 H GLN 9 HN GLN 9 -12.865 -2.983 3.442
56 HA GLN 9 HA GLN 9 -14.252 -3.254 0.976
57 HB2 GLN 9 HB2 GLN 9 -13.834 -0.824 2.728
58 HB3 GLN 9 HB1 GLN 9 -14.952 -0.905 1.377
59 HG2 GLN 9 HG2 GLN 9 -15.084 -2.575 3.875
60 HG3 GLN 9 HG1 GLN 9 -16.097 -1.184 3.501
61 HE21 GLN 9 HE21 GLN 9 -15.454 -4.519 2.856
62 HE22 GLN 9 HE22 GLN 9 -16.888 -4.834 1.944
63 H LYS 10 HN LYS 10 -11.296 -1.704 1.979
64 HA LYS 10 HA LYS 10 -10.486 -1.625 -0.806
65 HB2 LYS 10 HB2 LYS 10 -9.437 0.679 -0.408
66 HB3 LYS 10 HB1 LYS 10 -11.168 0.617 -0.693
67 HG2 LYS 10 HG2 LYS 10 -11.619 0.912 1.648
68 HG3 LYS 10 HG1 LYS 10 -9.901 0.802 2.032
69 HD2 LYS 10 HD2 LYS 10 -10.687 3.127 2.030
70 HD3 LYS 10 HD1 LYS 10 -9.471 2.847 0.784
71 HE2 LYS 10 HE2 LYS 10 -11.256 4.213 -0.101
72 HE3 LYS 10 HE1 LYS 10 -11.268 2.637 -0.886
73 HZ1 LYS 10 HZ1 LYS 10 -13.046 3.446 1.348
74 HZ2 LYS 10 HZ2 LYS 10 -13.088 1.968 0.533
75 HZ3 LYS 10 HZ3 LYS 10 -13.492 3.390 -0.280
76 H SER 11 HN SER 11 -8.554 -2.515 -0.985
77 HA SER 11 HA SER 11 -6.622 -2.246 1.174
78 HB2 SER 11 HB2 SER 11 -6.206 -4.755 1.097
79 HB3 SER 11 HB1 SER 11 -7.696 -4.244 1.890
80 HG SER 11 HG SER 11 -8.726 -4.637 -0.205
81 H TYR 12 HN TYR 12 -4.723 -1.825 0.377
82 HA TYR 12 HA TYR 12 -4.118 -2.604 -2.403
83 HB2 TYR 12 HB2 TYR 12 -2.831 -0.387 -0.797
84 HB3 TYR 12 HB1 TYR 12 -2.689 -0.672 -2.529
85 HD1 TYR 12 HD1 TYR 12 -4.527 0.979 0.049
86 HD2 TYR 12 HD2 TYR 12 -4.781 -0.423 -3.954
87 HE1 TYR 12 HE1 TYR 12 -6.419 2.500 -0.357
88 HE2 TYR 12 HE2 TYR 12 -6.670 1.086 -4.375
89 HH TYR 12 HH TYR 12 -7.482 3.623 -2.320
90 H VAL 13 HN VAL 13 -2.402 -3.930 -2.741
91 HA VAL 13 HA VAL 13 -0.943 -4.760 -0.322
92 HB VAL 13 HB VAL 13 -1.274 -6.380 -2.845
93 HG11 VAL 13 HG11 VAL 13 -0.665 -8.262 -1.402
94 HG12 VAL 13 HG12 VAL 13 -0.479 -7.156 -0.042
95 HG13 VAL 13 HG13 VAL 13 0.598 -7.030 -1.432
96 HG21 VAL 13 HG21 VAL 13 -3.030 -7.632 -1.676
97 HG22 VAL 13 HG22 VAL 13 -3.485 -5.947 -1.932
98 HG23 VAL 13 HG23 VAL 13 -2.951 -6.484 -0.341
99 H CYS 14 HN CYS 14 1.105 -4.082 -0.223
100 HA CYS 14 HA CYS 14 2.670 -3.436 -2.535
101 HB2 CYS 14 HB2 CYS 14 3.248 -2.355 -0.459
102 HB3 CYS 14 HB1 CYS 14 3.414 -3.899 0.361
103 HA PRO 15 HA PRO 15 3.256 -7.700 -3.570
104 HB2 PRO 15 HB2 PRO 15 5.016 -7.361 -5.610
105 HB3 PRO 15 HB1 PRO 15 3.293 -7.010 -5.763
106 HG2 PRO 15 HG2 PRO 15 5.571 -5.133 -5.274
107 HG3 PRO 15 HG1 PRO 15 4.181 -4.947 -6.360
108 HD2 PRO 15 HD2 PRO 15 4.307 -3.753 -3.933
109 HD3 PRO 15 HD1 PRO 15 2.781 -4.297 -4.650
110 H ASN 16 HN ASN 16 5.731 -5.588 -2.514
111 HA ASN 16 HA ASN 16 7.768 -7.658 -2.471
112 HB2 ASN 16 HB2 ASN 16 8.511 -5.478 -3.137
113 HB3 ASN 16 HB1 ASN 16 7.792 -4.740 -1.714
114 HD21 ASN 16 HD21 ASN 16 10.428 -6.642 -2.930
115 HD22 ASN 16 HD22 ASN 16 11.444 -6.484 -1.537
116 H CYS 17 HN CYS 17 5.843 -5.756 -0.169
117 HA CYS 17 HA CYS 17 7.121 -7.190 2.041
118 HB2 CYS 17 HB2 CYS 17 5.164 -4.893 2.194
119 HB3 CYS 17 HB1 CYS 17 6.150 -5.531 3.504
120 H GLY 18 HN GLY 18 4.222 -7.203 0.224
121 HA2 GLY 18 HA2 GLY 18 2.278 -8.431 0.450
122 HA3 GLY 18 HA1 GLY 18 2.999 -9.223 1.848
123 H LYS 19 HN LYS 19 3.036 -5.838 1.860
124 HA LYS 19 HA LYS 19 1.435 -5.765 4.253
125 HB2 LYS 19 HB2 LYS 19 3.631 -4.483 3.729
126 HB3 LYS 19 HB1 LYS 19 2.604 -3.385 2.824
127 HG2 LYS 19 HG2 LYS 19 2.917 -2.419 4.950
128 HG3 LYS 19 HG1 LYS 19 1.275 -3.067 4.941
129 HD2 LYS 19 HD2 LYS 19 2.025 -5.029 6.159
130 HD3 LYS 19 HD1 LYS 19 3.686 -4.451 6.112
131 HE2 LYS 19 HE2 LYS 19 1.426 -2.946 7.414
132 HE3 LYS 19 HE1 LYS 19 2.488 -4.056 8.278
133 HZ1 LYS 19 HZ1 LYS 19 4.367 -2.681 7.718
134 HZ2 LYS 19 HZ2 LYS 19 3.190 -1.734 8.474
135 HZ3 LYS 19 HZ3 LYS 19 3.394 -1.644 6.802
136 H ILE 20 HN ILE 20 -0.618 -4.967 4.438
137 HA ILE 20 HA ILE 20 -1.882 -4.064 1.942
138 HB ILE 20 HB ILE 20 -4.039 -4.686 2.926
139 HG12 ILE 20 HG12 ILE 20 -2.441 -5.854 5.210
140 HG13 ILE 20 HG11 ILE 20 -3.352 -4.353 5.310
141 HG21 ILE 20 HG21 ILE 20 -1.998 -6.903 3.003
142 HG22 ILE 20 HG22 ILE 20 -2.827 -6.301 1.570
143 HG23 ILE 20 HG23 ILE 20 -3.741 -7.112 2.841
144 HD11 ILE 20 HD11 ILE 20 -5.409 -5.572 4.863
145 HD12 ILE 20 HD12 ILE 20 -4.577 -6.204 6.286
146 HD13 ILE 20 HD13 ILE 20 -4.495 -7.075 4.754
147 H PHE 21 HN PHE 21 -2.686 -2.093 1.770
148 HA PHE 21 HA PHE 21 -2.866 -0.451 4.193
149 HB2 PHE 21 HB2 PHE 21 -1.963 0.292 1.418
150 HB3 PHE 21 HB1 PHE 21 -2.445 1.498 2.608
151 HD1 PHE 21 HD1 PHE 21 0.027 -1.078 1.773
152 HD2 PHE 21 HD2 PHE 21 -1.046 2.034 4.464
153 HE1 PHE 21 HE1 PHE 21 2.296 -1.119 2.717
154 HE2 PHE 21 HE2 PHE 21 1.216 1.995 5.417
155 HZ PHE 21 HZ PHE 21 2.877 0.412 4.575
156 H ARG 22 HN ARG 22 -4.574 1.028 4.306
157 HA ARG 22 HA ARG 22 -6.889 0.151 2.765
158 HB2 ARG 22 HB2 ARG 22 -6.844 0.273 5.317
159 HB3 ARG 22 HB1 ARG 22 -6.904 2.020 5.123
160 HG2 ARG 22 HG2 ARG 22 -9.006 1.846 3.948
161 HG3 ARG 22 HG1 ARG 22 -8.930 0.085 4.042
162 HD2 ARG 22 HD2 ARG 22 -9.069 1.969 6.396
163 HD3 ARG 22 HD1 ARG 22 -10.417 1.030 5.756
164 HE ARG 22 HE ARG 22 -8.466 -0.813 6.297
165 HH11 ARG 22 HH11 ARG 22 -10.217 1.584 8.141
166 HH12 ARG 22 HH12 ARG 22 -10.061 0.729 9.642
167 HH21 ARG 22 HH21 ARG 22 -8.267 -1.954 8.266
168 HH22 ARG 22 HH22 ARG 22 -8.967 -1.300 9.712
169 H TRP 23 HN TRP 23 -4.926 2.972 3.407
170 HA TRP 23 HA TRP 23 -6.623 4.551 1.604
171 HB2 TRP 23 HB2 TRP 23 -4.461 5.551 3.468
172 HB3 TRP 23 HB1 TRP 23 -5.632 6.524 2.586
173 HD1 TRP 23 HD1 TRP 23 -5.076 5.042 5.892
174 HE1 TRP 23 HE1 TRP 23 -7.237 5.083 7.297
175 HE3 TRP 23 HE3 TRP 23 -8.424 6.121 2.193
176 HZ2 TRP 23 HZ2 TRP 23 -9.995 5.516 6.877
177 HZ3 TRP 23 HZ3 TRP 23 -10.804 6.327 2.782
178 HH2 TRP 23 HH2 TRP 23 -11.573 6.030 5.073
179 H ARG 24 HN ARG 24 -5.698 5.747 -0.059
180 HA ARG 24 HA ARG 24 -3.601 4.425 -1.451
181 HB2 ARG 24 HB2 ARG 24 -5.338 6.800 -1.958
182 HB3 ARG 24 HB1 ARG 24 -3.907 6.572 -2.950
183 HG2 ARG 24 HG2 ARG 24 -5.959 4.414 -2.588
184 HG3 ARG 24 HG1 ARG 24 -6.093 5.651 -3.840
185 HD2 ARG 24 HD2 ARG 24 -3.804 3.717 -3.480
186 HD3 ARG 24 HD1 ARG 24 -5.050 3.631 -4.723
187 HE ARG 24 HE ARG 24 -3.609 6.117 -4.720
188 HH11 ARG 24 HH11 ARG 24 -3.604 2.819 -5.899
189 HH12 ARG 24 HH12 ARG 24 -2.599 3.176 -7.266
190 HH21 ARG 24 HH21 ARG 24 -2.273 6.586 -6.501
191 HH22 ARG 24 HH22 ARG 24 -1.834 5.319 -7.602
192 H VAL 25 HN VAL 25 -3.790 7.372 0.456
193 HA VAL 25 HA VAL 25 -1.453 8.579 -0.539
194 HB VAL 25 HB VAL 25 -1.497 9.970 1.536
195 HG11 VAL 25 HG11 VAL 25 -3.641 11.055 1.020
196 HG12 VAL 25 HG12 VAL 25 -4.111 9.649 0.068
197 HG13 VAL 25 HG13 VAL 25 -2.742 10.636 -0.436
198 HG21 VAL 25 HG21 VAL 25 -3.394 9.743 3.067
199 HG22 VAL 25 HG22 VAL 25 -2.369 8.309 3.097
200 HG23 VAL 25 HG23 VAL 25 -3.900 8.280 2.224
201 H ASN 26 HN ASN 26 -1.928 6.600 2.391
202 HA ASN 26 HA ASN 26 0.844 6.661 3.057
203 HB2 ASN 26 HB2 ASN 26 0.123 4.633 4.534
204 HB3 ASN 26 HB1 ASN 26 -0.443 6.248 4.936
205 HD21 ASN 26 HD21 ASN 26 -1.350 3.291 3.253
206 HD22 ASN 26 HD22 ASN 26 -3.044 3.455 3.535
207 H PHE 27 HN PHE 27 -1.198 4.502 1.187
208 HA PHE 27 HA PHE 27 0.588 2.355 0.918
209 HB2 PHE 27 HB2 PHE 27 -1.770 2.273 0.175
210 HB3 PHE 27 HB1 PHE 27 -1.377 3.376 -1.143
211 HD1 PHE 27 HD1 PHE 27 -0.117 0.154 0.279
212 HD2 PHE 27 HD2 PHE 27 -1.007 2.454 -3.184
213 HE1 PHE 27 HE1 PHE 27 0.502 -1.754 -1.147
214 HE2 PHE 27 HE2 PHE 27 -0.386 0.557 -4.615
215 HZ PHE 27 HZ PHE 27 0.434 -1.567 -3.535
216 H ILE 28 HN ILE 28 0.139 5.217 -1.167
217 HA ILE 28 HA ILE 28 2.255 4.558 -2.922
218 HB ILE 28 HB ILE 28 1.103 7.293 -2.334
219 HG12 ILE 28 HG12 ILE 28 -0.626 5.753 -3.086
220 HG13 ILE 28 HG11 ILE 28 -0.249 6.893 -4.371
221 HG21 ILE 28 HG21 ILE 28 1.972 7.906 -4.540
222 HG22 ILE 28 HG22 ILE 28 2.713 6.312 -4.690
223 HG23 ILE 28 HG23 ILE 28 3.267 7.429 -3.441
224 HD11 ILE 28 HD11 ILE 28 -0.544 4.672 -5.265
225 HD12 ILE 28 HD12 ILE 28 0.700 4.045 -4.183
226 HD13 ILE 28 HD13 ILE 28 1.133 5.185 -5.458
227 H ARG 29 HN ARG 29 2.085 6.370 0.071
228 HA ARG 29 HA ARG 29 4.675 7.427 0.135
229 HB2 ARG 29 HB2 ARG 29 2.784 7.931 1.710
230 HB3 ARG 29 HB1 ARG 29 3.071 6.376 2.471
231 HG2 ARG 29 HG2 ARG 29 5.264 7.071 3.182
232 HG3 ARG 29 HG1 ARG 29 5.091 8.601 2.318
233 HD2 ARG 29 HD2 ARG 29 3.165 9.159 3.746
234 HD3 ARG 29 HD1 ARG 29 3.403 7.655 4.631
235 HE ARG 29 HE ARG 29 5.792 8.821 4.908
236 HH11 ARG 29 HH11 ARG 29 2.564 10.118 5.296
237 HH12 ARG 29 HH12 ARG 29 3.020 11.219 6.557
238 HH21 ARG 29 HH21 ARG 29 6.397 10.274 6.566
239 HH22 ARG 29 HH22 ARG 29 5.202 11.323 7.261
240 H HIS 30 HN HIS 30 3.415 4.309 1.223
241 HA HIS 30 HA HIS 30 5.827 3.248 2.229
242 HB2 HIS 30 HB2 HIS 30 3.703 2.327 2.870
243 HB3 HIS 30 HB1 HIS 30 3.297 1.959 1.204
244 HD1 HIS 30 HD1 HIS 30 5.959 0.854 3.736
245 HD2 HIS 30 HD2 HIS 30 3.632 -0.599 0.617
246 HE1 HIS 30 HE1 HIS 30 6.392 -1.646 3.617
247 H LEU 31 HN LEU 31 4.348 3.154 -0.978
248 HA LEU 31 HA LEU 31 6.325 1.374 -2.055
249 HB2 LEU 31 HB2 LEU 31 4.041 2.932 -3.172
250 HB3 LEU 31 HB1 LEU 31 5.255 2.319 -4.275
251 HG LEU 31 HG LEU 31 3.291 0.836 -4.100
252 HD11 LEU 31 HD11 LEU 31 4.508 -1.245 -3.773
253 HD12 LEU 31 HD12 LEU 31 5.826 -0.363 -3.004
254 HD13 LEU 31 HD13 LEU 31 5.457 -0.088 -4.706
255 HD21 LEU 31 HD21 LEU 31 2.931 -0.481 -2.070
256 HD22 LEU 31 HD22 LEU 31 2.685 1.240 -1.778
257 HD23 LEU 31 HD23 LEU 31 4.170 0.460 -1.240
258 H ARG 32 HN ARG 32 5.914 4.840 -1.881
259 HA ARG 32 HA ARG 32 7.947 5.491 -3.769
260 HB2 ARG 32 HB2 ARG 32 6.128 7.037 -3.134
261 HB3 ARG 32 HB1 ARG 32 6.801 7.148 -1.515
262 HG2 ARG 32 HG2 ARG 32 8.817 8.176 -2.404
263 HG3 ARG 32 HG1 ARG 32 8.176 8.033 -4.043
264 HD2 ARG 32 HD2 ARG 32 6.935 9.619 -1.799
265 HD3 ARG 32 HD1 ARG 32 7.866 10.290 -3.134
266 HE ARG 32 HE ARG 32 6.065 9.295 -4.595
267 HH11 ARG 32 HH11 ARG 32 5.403 10.235 -1.278
268 HH12 ARG 32 HH12 ARG 32 3.734 10.593 -1.590
269 HH21 ARG 32 HH21 ARG 32 3.875 9.764 -4.992
270 HH22 ARG 32 HH22 ARG 32 2.864 10.317 -3.692
271 H SER 33 HN SER 33 7.931 4.610 -0.436
272 HA SER 33 HA SER 33 10.557 5.702 0.098
273 HB2 SER 33 HB2 SER 33 8.842 3.899 1.822
274 HB3 SER 33 HB1 SER 33 10.253 4.821 2.345
275 HG SER 33 HG SER 33 7.715 5.776 1.522
276 H ARG 34 HN ARG 34 9.751 3.254 -1.771
277 HA ARG 34 HA ARG 34 11.409 1.155 -0.744
278 HB2 ARG 34 HB2 ARG 34 10.322 1.644 -3.519
279 HB3 ARG 34 HB1 ARG 34 11.233 0.216 -3.062
280 HG2 ARG 34 HG2 ARG 34 9.410 -0.104 -1.272
281 HG3 ARG 34 HG1 ARG 34 8.480 1.038 -2.244
282 HD2 ARG 34 HD2 ARG 34 7.953 -1.241 -2.897
283 HD3 ARG 34 HD1 ARG 34 8.787 -0.408 -4.209
284 HE ARG 34 HE ARG 34 10.648 -1.800 -2.577
285 HH11 ARG 34 HH11 ARG 34 8.217 -2.363 -5.052
286 HH12 ARG 34 HH12 ARG 34 8.958 -3.829 -5.611
287 HH21 ARG 34 HH21 ARG 34 11.604 -3.709 -3.302
288 HH22 ARG 34 HH22 ARG 34 10.898 -4.588 -4.626
289 H ARG 35 HN ARG 35 11.759 3.198 -3.644
290 HA ARG 35 HA ARG 35 13.581 3.825 -4.843
291 HB2 ARG 35 HB2 ARG 35 14.912 3.865 -2.123
292 HB3 ARG 35 HB1 ARG 35 15.527 4.643 -3.576
293 HG2 ARG 35 HG2 ARG 35 13.605 6.118 -3.633
294 HG3 ARG 35 HG1 ARG 35 12.920 5.311 -2.222
295 HD2 ARG 35 HD2 ARG 35 14.910 5.993 -0.920
296 HD3 ARG 35 HD1 ARG 35 15.497 6.874 -2.329
297 HE ARG 35 HE ARG 35 12.975 7.851 -1.892
298 HH11 ARG 35 HH11 ARG 35 15.923 7.620 -0.019
299 HH12 ARG 35 HH12 ARG 35 15.574 9.016 0.945
300 HH21 ARG 35 HH21 ARG 35 12.508 9.694 -0.613
301 HH22 ARG 35 HH22 ARG 35 13.640 10.202 0.601
302 H GLU 36 HN GLU 36 13.057 1.205 -4.920
303 HA GLU 36 HA GLU 36 15.690 -0.108 -4.792
304 HB2 GLU 36 HB2 GLU 36 12.949 -1.375 -4.558
305 HB3 GLU 36 HB1 GLU 36 14.482 -2.237 -4.513
306 HG2 GLU 36 HG2 GLU 36 15.090 -1.045 -2.470
307 HG3 GLU 36 HG1 GLU 36 13.552 -0.186 -2.516
308 H GLN 37 HN GLN 37 14.555 1.517 -6.933
309 HA GLN 37 HA GLN 37 13.627 -0.163 -9.031
310 HB2 GLN 37 HB2 GLN 37 14.848 2.598 -9.022
311 HB3 GLN 37 HB1 GLN 37 14.280 1.809 -10.488
312 HG2 GLN 37 HG2 GLN 37 12.037 1.763 -9.684
313 HG3 GLN 37 HG1 GLN 37 12.542 2.309 -8.086
314 HE21 GLN 37 HE21 GLN 37 10.634 3.455 -10.020
315 HE22 GLN 37 HE22 GLN 37 11.171 5.079 -10.283
316 H LYS 38 HN LYS 38 16.732 0.658 -7.782
317 HA LYS 38 HA LYS 38 17.887 -1.287 -9.630
318 HB2 LYS 38 HB2 LYS 38 18.532 0.986 -10.395
319 HB3 LYS 38 HB1 LYS 38 19.291 1.271 -8.838
320 HG2 LYS 38 HG2 LYS 38 20.942 -0.381 -9.238
321 HG3 LYS 38 HG1 LYS 38 20.091 -0.979 -10.660
322 HD2 LYS 38 HD2 LYS 38 21.997 0.368 -11.327
323 HD3 LYS 38 HD1 LYS 38 20.496 1.172 -11.786
324 HE2 LYS 38 HE2 LYS 38 22.048 2.784 -10.874
325 HE3 LYS 38 HE1 LYS 38 20.676 2.597 -9.785
326 HZ1 LYS 38 HZ1 LYS 38 23.314 1.276 -9.438
327 HZ2 LYS 38 HZ2 LYS 38 22.010 1.201 -8.367
328 HZ3 LYS 38 HZ3 LYS 38 22.812 2.665 -8.615
329 HA PRO 39 HA PRO 39 20.116 -1.649 -5.424
330 HB2 PRO 39 HB2 PRO 39 19.024 0.166 -3.482
331 HB3 PRO 39 HB1 PRO 39 20.661 0.131 -4.135
332 HG2 PRO 39 HG2 PRO 39 18.850 2.148 -4.596
333 HG3 PRO 39 HG1 PRO 39 20.215 1.765 -5.661
334 HD2 PRO 39 HD2 PRO 39 17.331 1.006 -5.925
335 HD3 PRO 39 HD1 PRO 39 18.477 1.530 -7.175
336 H HIS 40 HN HIS 40 18.704 -3.479 -5.622
337 HA HIS 40 HA HIS 40 16.265 -3.455 -4.005
338 HB2 HIS 40 HB2 HIS 40 15.894 -5.735 -5.007
339 HB3 HIS 40 HB1 HIS 40 15.941 -4.419 -6.171
340 HD1 HIS 40 HD1 HIS 40 17.783 -4.470 -7.933
341 HD2 HIS 40 HD2 HIS 40 18.105 -7.518 -5.125
342 HE1 HIS 40 HE1 HIS 40 19.520 -6.043 -8.837
343 HE2 HIS 40 HE2 HIS 40 19.566 -7.964 -7.209
344 H LYS 41 HN LYS 41 18.464 -3.196 -2.474
345 HA LYS 41 HA LYS 41 19.459 -5.731 -1.564
346 HB2 LYS 41 HB2 LYS 41 20.555 -4.297 0.217
347 HB3 LYS 41 HB1 LYS 41 20.996 -3.934 -1.444
348 HG2 LYS 41 HG2 LYS 41 19.506 -2.020 -1.452
349 HG3 LYS 41 HG1 LYS 41 18.974 -2.405 0.186
350 HD2 LYS 41 HD2 LYS 41 21.288 -2.096 0.974
351 HD3 LYS 41 HD1 LYS 41 21.766 -1.638 -0.661
352 HE2 LYS 41 HE2 LYS 41 20.262 0.270 -0.587
353 HE3 LYS 41 HE1 LYS 41 19.705 -0.209 1.016
354 HZ1 LYS 41 HZ1 LYS 41 22.464 0.630 0.305
355 HZ2 LYS 41 HZ2 LYS 41 21.969 0.117 1.838
356 HZ3 LYS 41 HZ3 LYS 41 21.337 1.541 1.179
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