Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
649212 | 6pv2 RC | 30643 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 ARG 1 HT1 ARG 1 14.074 -1.901 5.929
2 H2 ARG 1 HT2 ARG 1 13.055 -0.577 5.658
3 H3 ARG 1 HT3 ARG 1 14.065 -1.133 4.423
4 HA ARG 1 HA ARG 1 12.878 -3.167 4.249
5 HB2 ARG 1 HB2 ARG 1 10.864 -3.570 5.589
6 HB3 ARG 1 HB1 ARG 1 12.276 -3.399 6.619
7 HG2 ARG 1 HG2 ARG 1 11.618 -1.094 7.128
8 HG3 ARG 1 HG1 ARG 1 10.191 -1.288 6.108
9 HD2 ARG 1 HD2 ARG 1 9.539 -1.604 8.397
10 HD3 ARG 1 HD1 ARG 1 9.463 -3.160 7.571
11 HE ARG 1 HE ARG 1 11.887 -2.521 9.074
12 HH11 ARG 1 HH11 ARG 1 9.342 -5.457 10.083
13 HH12 ARG 1 HH12 ARG 1 8.907 -4.337 8.835
14 HH21 ARG 1 HH21 ARG 1 12.462 -3.981 10.719
15 HH22 ARG 1 HH22 ARG 1 11.368 -5.254 11.163
16 HA PRO 2 HA PRO 2 10.488 -0.677 1.440
17 HB2 PRO 2 HB2 PRO 2 9.432 -2.626 -0.074
18 HB3 PRO 2 HB1 PRO 2 11.161 -2.241 -0.136
19 HG2 PRO 2 HG2 PRO 2 9.760 -4.445 1.334
20 HG3 PRO 2 HG1 PRO 2 11.250 -4.515 0.375
21 HD2 PRO 2 HD2 PRO 2 11.228 -4.350 3.103
22 HD3 PRO 2 HD1 PRO 2 12.542 -3.704 2.099
23 H PHE 3 HN PHE 3 8.279 -0.254 0.863
24 HA PHE 3 HA PHE 3 6.424 -1.109 2.949
25 HB2 PHE 3 HB2 PHE 3 6.203 1.057 0.845
26 HB3 PHE 3 HB1 PHE 3 4.988 0.717 2.069
27 HD1 PHE 3 HD1 PHE 3 8.092 2.369 1.337
28 HD2 PHE 3 HD2 PHE 3 5.556 1.021 4.472
29 HE1 PHE 3 HE1 PHE 3 9.259 3.850 2.913
30 HE2 PHE 3 HE2 PHE 3 6.718 2.500 6.056
31 HZ PHE 3 HZ PHE 3 8.574 3.920 5.278
32 H NLE 4 HN NLE 4 6.072 -3.198 2.238
33 HA NLE 4 HA NLE 4 5.072 -3.577 -0.482
34 HB2 NLE 4 HB1 NLE 4 6.089 -5.549 1.573
35 HB3 NLE 4 HB2 NLE 4 6.972 -4.963 0.172
36 HG2 NLE 4 HG1 NLE 4 5.381 -6.072 -1.308
37 HG3 NLE 4 HG2 NLE 4 4.473 -6.641 0.094
38 HD2 NLE 4 HD1 NLE 4 6.444 -7.896 0.857
39 HD3 NLE 4 HD2 NLE 4 7.335 -7.346 -0.572
40 HE1 NLE 4 HE1 NLE 4 4.809 -8.992 -0.592
41 HE2 NLE 4 HE2 NLE 4 6.438 -9.595 -0.901
42 HE3 NLE 4 HE3 NLE 4 5.697 -8.444 -2.013
43 H CYS 5 HN CYS 5 3.026 -4.062 -0.896
44 HA CYS 5 HA CYS 5 1.104 -4.409 1.199
45 HB2 CYS 5 HB2 CYS 5 0.517 -3.295 -0.931
46 HB3 CYS 5 HB1 CYS 5 0.824 -4.797 -1.794
47 H THR 6 HN THR 6 0.053 -6.338 1.779
48 HA THR 6 HA THR 6 0.809 -8.779 0.380
49 HB THR 6 HB THR 6 0.966 -8.623 3.399
50 HG1 THR 6 HG1 THR 6 2.805 -7.943 1.453
51 HG21 THR 6 HG21 THR 6 1.909 -10.711 1.423
52 HG22 THR 6 HG22 THR 6 0.494 -10.847 2.465
53 HG23 THR 6 HG23 THR 6 2.107 -10.783 3.173
54 H TRP 7 HN TRP 7 -1.494 -7.711 -0.082
55 HA TRP 7 HA TRP 7 -3.519 -8.615 1.791
56 HB2 TRP 7 HB2 TRP 7 -3.694 -6.440 0.524
57 HB3 TRP 7 HB1 TRP 7 -3.891 -7.383 -0.942
58 HD1 TRP 7 HD1 TRP 7 -6.194 -8.807 -1.177
59 HE1 TRP 7 HE1 TRP 7 -8.521 -8.393 -0.155
60 HE3 TRP 7 HE3 TRP 7 -4.861 -5.573 2.533
61 HZ2 TRP 7 HZ2 TRP 7 -9.640 -6.879 1.954
62 HZ3 TRP 7 HZ3 TRP 7 -6.615 -4.679 4.013
63 HH2 TRP 7 HH2 TRP 7 -8.954 -5.319 3.728
64 H ORN 8 HT1 ORN 8 -2.310 -14.061 -2.800
65 HA ORN 8 HA ORN 8 -3.088 -11.837 -2.387
66 HB2 ORN 8 HB1 ORN 8 -1.255 -11.185 -0.696
67 HB3 ORN 8 HB2 ORN 8 -0.431 -12.641 -1.230
68 HG2 ORN 8 HG1 ORN 8 -1.641 -13.144 0.759
69 HG3 ORN 8 HG2 ORN 8 -2.445 -13.948 -0.592
70 HD2 ORN 8 HD1 ORN 8 -4.033 -12.872 0.971
71 HD3 ORN 8 HD2 ORN 8 -4.140 -12.230 -0.664
72 HE1 ORN 8 HE ORN 8 -2.931 -10.852 1.637
73 HT3 ORN 8 HT3 ORN 8 -2.290 -13.153 -4.225
74 H CYS 9 HN CYS 9 -2.989 -9.705 -2.749
75 HA CYS 9 HA CYS 9 -1.389 -8.640 -4.807
76 HB2 CYS 9 HB2 CYS 9 -3.538 -7.674 -4.278
77 HB3 CYS 9 HB1 CYS 9 -3.025 -7.324 -2.636
78 H GLY 10 HN GLY 10 0.715 -8.034 -4.740
79 HA2 GLY 10 HA2 GLY 10 1.837 -7.283 -2.125
80 HA3 GLY 10 HA1 GLY 10 2.586 -8.557 -3.066
81 H LYS 11 HN LYS 11 1.321 -5.353 -3.988
82 HA LYS 11 HA LYS 11 3.630 -4.780 -5.562
83 HB2 LYS 11 HB2 LYS 11 1.369 -3.029 -4.592
84 HB3 LYS 11 HB1 LYS 11 2.664 -2.444 -5.626
85 HG2 LYS 11 HG2 LYS 11 2.012 -4.193 -7.289
86 HG3 LYS 11 HG1 LYS 11 0.610 -4.543 -6.275
87 HD2 LYS 11 HD2 LYS 11 -0.124 -2.211 -6.504
88 HD3 LYS 11 HD1 LYS 11 1.269 -1.880 -7.534
89 HE2 LYS 11 HE2 LYS 11 -0.939 -3.846 -8.127
90 HE3 LYS 11 HE1 LYS 11 -0.765 -2.248 -8.847
91 HZ1 LYS 11 HZ1 LYS 11 1.127 -4.517 -9.139
92 HZ2 LYS 11 HZ2 LYS 11 1.363 -2.973 -9.782
93 HZ3 LYS 11 HZ3 LYS 11 0.078 -3.928 -10.326
94 H ARG 12 HN ARG 12 5.448 -3.677 -5.055
95 HA ARG 12 HA ARG 12 5.817 -2.985 -2.232
96 HB2 ARG 12 HB2 ARG 12 7.882 -3.393 -4.402
97 HB3 ARG 12 HB1 ARG 12 8.225 -3.077 -2.707
98 HG2 ARG 12 HG2 ARG 12 7.088 -5.190 -2.126
99 HG3 ARG 12 HG1 ARG 12 6.878 -5.514 -3.847
100 HD2 ARG 12 HD2 ARG 12 9.314 -5.454 -4.143
101 HD3 ARG 12 HD1 ARG 12 9.512 -5.151 -2.418
102 HE ARG 12 HE ARG 12 8.136 -7.586 -3.300
103 HH11 ARG 12 HH11 ARG 12 10.920 -6.061 -1.812
104 HH12 ARG 12 HH12 ARG 12 11.520 -7.536 -1.128
105 HH21 ARG 12 HH21 ARG 12 10.397 -9.506 -1.476
106 HH22 ARG 12 HH22 ARG 12 8.942 -9.531 -2.420
107 H PHE 13 HN PHE 13 6.201 -0.969 -1.575
108 HA PHE 13 HA PHE 13 6.540 1.120 -3.625
109 HB2 PHE 13 HB2 PHE 13 5.012 1.338 -1.024
110 HB3 PHE 13 HB1 PHE 13 5.172 2.593 -2.247
111 HD1 PHE 13 HD1 PHE 13 4.015 2.385 -4.393
112 HD2 PHE 13 HD2 PHE 13 3.493 -0.466 -1.286
113 HE1 PHE 13 HE1 PHE 13 2.004 1.530 -5.518
114 HE2 PHE 13 HE2 PHE 13 1.477 -1.321 -2.398
115 HZ PHE 13 HZ PHE 13 0.731 -0.321 -4.519
116 H THR 14 HN THR 14 7.827 2.897 -3.058
117 HA THR 14 HA THR 14 9.804 2.354 -0.989
118 HB THR 14 HB THR 14 9.779 4.728 -2.854
119 HG1 THR 14 HG1 THR 14 9.990 3.326 -4.424
120 HG21 THR 14 HG21 THR 14 12.211 4.605 -2.581
121 HG22 THR 14 HG22 THR 14 12.032 3.188 -1.548
122 HG23 THR 14 HG23 THR 14 11.415 4.750 -1.014
123 H ARG 15 HN ARG 15 6.937 4.102 -1.385
124 HA ARG 15 HA ARG 15 7.618 5.866 0.871
125 HB2 ARG 15 HB2 ARG 15 5.904 6.388 -1.548
126 HB3 ARG 15 HB1 ARG 15 5.774 7.362 -0.091
127 HG2 ARG 15 HG2 ARG 15 8.052 8.084 -0.306
128 HG3 ARG 15 HG1 ARG 15 8.312 6.986 -1.662
129 HD2 ARG 15 HD2 ARG 15 7.935 9.376 -2.300
130 HD3 ARG 15 HD1 ARG 15 6.841 8.223 -3.056
131 HE ARG 15 HE ARG 15 5.460 9.054 -0.867
132 HH11 ARG 15 HH11 ARG 15 7.057 10.732 -3.501
133 HH12 ARG 15 HH12 ARG 15 5.943 12.063 -3.494
134 HH21 ARG 15 HH21 ARG 15 3.974 10.778 -0.882
135 HH22 ARG 15 HH22 ARG 15 4.186 12.092 -2.002
136 H SER 16 HN SER 16 6.387 5.815 2.600
137 HA SER 16 HA SER 16 4.595 3.688 3.028
138 HB2 SER 16 HB2 SER 16 4.166 5.082 5.195
139 HB3 SER 16 HB1 SER 16 5.764 4.389 4.920
140 HG SER 16 HG SER 16 6.145 6.478 5.422
141 H ASP 17 HN ASP 17 4.142 7.086 2.293
142 HA ASP 17 HA ASP 17 1.348 7.136 2.806
143 HB2 ASP 17 HB2 ASP 17 1.348 9.310 1.823
144 HB3 ASP 17 HB1 ASP 17 2.847 9.161 2.720
145 H GLU 18 HN GLU 18 3.318 6.322 0.047
146 HA GLU 18 HA GLU 18 1.152 6.224 -1.803
147 HB2 GLU 18 HB2 GLU 18 3.903 4.988 -1.931
148 HB3 GLU 18 HB1 GLU 18 2.742 4.968 -3.253
149 HG2 GLU 18 HG2 GLU 18 2.736 7.487 -3.112
150 HG3 GLU 18 HG1 GLU 18 4.128 7.333 -2.037
151 H LEU 19 HN LEU 19 2.799 3.856 0.252
152 HA LEU 19 HA LEU 19 1.269 1.625 -0.546
153 HB2 LEU 19 HB2 LEU 19 3.231 1.306 0.811
154 HB3 LEU 19 HB1 LEU 19 2.556 2.278 2.105
155 HG LEU 19 HG LEU 19 0.774 0.553 2.407
156 HD11 LEU 19 HD11 LEU 19 0.820 -0.419 0.179
157 HD12 LEU 19 HD12 LEU 19 1.102 -1.653 1.408
158 HD13 LEU 19 HD13 LEU 19 2.452 -1.025 0.464
159 HD21 LEU 19 HD21 LEU 19 2.143 -0.998 3.609
160 HD22 LEU 19 HD22 LEU 19 2.859 0.606 3.766
161 HD23 LEU 19 HD23 LEU 19 3.559 -0.569 2.653
162 H GLN 20 HN GLN 20 0.752 4.077 1.950
163 HA GLN 20 HA GLN 20 -1.646 3.149 3.006
164 HB2 GLN 20 HB2 GLN 20 -0.492 4.959 4.065
165 HB3 GLN 20 HB1 GLN 20 -0.602 5.955 2.621
166 HG2 GLN 20 HG2 GLN 20 -3.030 6.073 2.901
167 HG3 GLN 20 HG1 GLN 20 -2.901 5.101 4.365
168 HE21 GLN 20 HE21 GLN 20 -2.052 6.010 6.214
169 HE22 GLN 20 HE22 GLN 20 -1.852 7.717 6.403
170 H ARG 21 HN ARG 21 -1.153 5.445 0.327
171 HA ARG 21 HA ARG 21 -3.844 5.785 -0.366
172 HB2 ARG 21 HB2 ARG 21 -1.369 5.889 -2.097
173 HB3 ARG 21 HB1 ARG 21 -2.966 6.375 -2.644
174 HG2 ARG 21 HG2 ARG 21 -3.029 8.111 -0.928
175 HG3 ARG 21 HG1 ARG 21 -1.427 7.622 -0.375
176 HD2 ARG 21 HD2 ARG 21 -1.288 9.571 -1.830
177 HD3 ARG 21 HD1 ARG 21 -0.497 8.180 -2.566
178 HE ARG 21 HE ARG 21 -2.913 8.018 -3.663
179 HH11 ARG 21 HH11 ARG 21 -0.829 10.800 -3.214
180 HH12 ARG 21 HH12 ARG 21 -1.413 11.613 -4.632
181 HH21 ARG 21 HH21 ARG 21 -3.671 9.085 -5.515
182 HH22 ARG 21 HH22 ARG 21 -3.028 10.639 -5.943
183 H HIS 22 HN HIS 22 -1.454 3.433 -1.526
184 HA HIS 22 HA HIS 22 -3.073 2.083 -3.342
185 HB2 HIS 22 HB2 HIS 22 -0.726 1.610 -3.301
186 HB3 HIS 22 HB1 HIS 22 -0.786 1.125 -1.610
187 HD1 HIS 22 HD1 HIS 22 -1.384 -0.182 -5.076
188 HD2 HIS 22 HD2 HIS 22 -1.827 -1.409 -1.115
189 HE1 HIS 22 HE1 HIS 22 -1.964 -2.665 -5.135
190 H LYS 23 HN LYS 23 -2.611 1.539 0.127
191 HA LYS 23 HA LYS 23 -4.270 -0.704 0.375
192 HB2 LYS 23 HB2 LYS 23 -3.438 1.404 2.357
193 HB3 LYS 23 HB1 LYS 23 -4.415 0.015 2.806
194 HG2 LYS 23 HG2 LYS 23 -1.690 -0.183 1.552
195 HG3 LYS 23 HG1 LYS 23 -1.989 -0.222 3.288
196 HD2 LYS 23 HD2 LYS 23 -3.516 -2.177 2.875
197 HD3 LYS 23 HD1 LYS 23 -2.929 -2.192 1.214
198 HE2 LYS 23 HE2 LYS 23 -0.649 -2.518 2.016
199 HE3 LYS 23 HE1 LYS 23 -1.226 -2.489 3.681
200 HZ1 LYS 23 HZ1 LYS 23 -0.941 -4.740 2.986
201 HZ2 LYS 23 HZ2 LYS 23 -1.894 -4.503 1.611
202 HZ3 LYS 23 HZ3 LYS 23 -2.598 -4.446 3.148
203 H ARG 24 HN ARG 24 -4.994 2.682 0.139
204 HA ARG 24 HA ARG 24 -7.578 2.696 1.239
205 HB2 ARG 24 HB2 ARG 24 -6.378 4.737 0.703
206 HB3 ARG 24 HB1 ARG 24 -6.397 4.335 -1.006
207 HG2 ARG 24 HG2 ARG 24 -8.808 4.594 -1.064
208 HG3 ARG 24 HG1 ARG 24 -8.826 4.935 0.670
209 HD2 ARG 24 HD2 ARG 24 -7.503 6.926 0.333
210 HD3 ARG 24 HD1 ARG 24 -7.322 6.557 -1.379
211 HE ARG 24 HE ARG 24 -9.979 6.729 -1.144
212 HH11 ARG 24 HH11 ARG 24 -8.377 10.261 -0.101
213 HH12 ARG 24 HH12 ARG 24 -7.426 8.815 0.016
214 HH21 ARG 24 HH21 ARG 24 -10.548 10.150 -0.861
215 HH22 ARG 24 HH22 ARG 24 -11.235 8.616 -1.322
216 H THR 25 HN THR 25 -6.386 1.345 -1.704
217 HA THR 25 HA THR 25 -8.945 1.230 -3.021
218 HB THR 25 HB THR 25 -6.751 -0.614 -3.820
219 HG1 THR 25 HG1 THR 25 -5.423 1.070 -3.588
220 HG21 THR 25 HG21 THR 25 -8.517 1.290 -5.363
221 HG22 THR 25 HG22 THR 25 -8.834 -0.427 -5.116
222 HG23 THR 25 HG23 THR 25 -7.432 0.084 -6.055
223 H HIS 26 HN HIS 26 -7.268 -0.645 -0.673
224 HA HIS 26 HA HIS 26 -8.918 -3.010 -1.147
225 HB2 HIS 26 HB2 HIS 26 -6.729 -2.477 0.872
226 HB3 HIS 26 HB1 HIS 26 -7.647 -3.970 0.794
227 HD1 HIS 26 HD1 HIS 26 -7.429 -5.074 -1.892
228 HD2 HIS 26 HD2 HIS 26 -4.369 -2.736 -0.283
229 HE1 HIS 26 HE1 HIS 26 -5.298 -5.690 -3.154
230 H THR 27 HN THR 27 -8.338 -0.517 1.293
231 HA THR 27 HA THR 27 -11.019 -0.847 2.311
232 HB THR 27 HB THR 27 -9.754 -2.535 3.603
233 HG1 THR 27 HG1 THR 27 -11.076 -1.987 5.144
234 HG21 THR 27 HG21 THR 27 -7.547 -1.503 3.567
235 HG22 THR 27 HG22 THR 27 -8.060 -1.799 5.229
236 HG23 THR 27 HG23 THR 27 -8.138 -0.170 4.558
237 H GLY 28 HN GLY 28 -11.586 0.870 3.844
238 HA2 GLY 28 HA2 GLY 28 -11.094 2.990 4.861
239 HA3 GLY 28 HA1 GLY 28 -9.788 3.197 3.702
240 H GLU 29 HN GLU 29 -11.538 2.195 1.535
241 HA GLU 29 HA GLU 29 -13.605 4.233 1.363
242 HB2 GLU 29 HB2 GLU 29 -11.601 5.259 0.354
243 HB3 GLU 29 HB1 GLU 29 -11.452 3.887 -0.735
244 HG2 GLU 29 HG2 GLU 29 -13.467 4.444 -1.855
245 HG3 GLU 29 HG1 GLU 29 -13.871 5.666 -0.651
246 H LYS 30 HN LYS 30 -15.386 3.473 0.407
247 HA LYS 30 HA LYS 30 -15.164 0.954 -1.095
248 HB2 LYS 30 HB2 LYS 30 -17.428 1.896 0.681
249 HB3 LYS 30 HB1 LYS 30 -17.469 0.444 -0.307
250 HG2 LYS 30 HG2 LYS 30 -15.582 -0.466 0.974
251 HG3 LYS 30 HG1 LYS 30 -15.588 0.982 1.985
252 HD2 LYS 30 HD2 LYS 30 -17.872 0.469 2.699
253 HD3 LYS 30 HD1 LYS 30 -17.868 -0.974 1.686
254 HE2 LYS 30 HE2 LYS 30 -17.420 -1.606 3.965
255 HE3 LYS 30 HE1 LYS 30 -15.966 -1.846 3.000
256 HZ1 LYS 30 HZ1 LYS 30 -16.495 0.471 4.780
257 HZ2 LYS 30 HZ2 LYS 30 -15.100 0.248 3.856
258 HZ3 LYS 30 HZ3 LYS 30 -15.455 -0.817 5.120
259 HN1 NH2 31 HN1 NH2 31 -17.841 3.204 -0.622
260 HN2 NH2 31 HN2 NH2 31 -18.023 3.625 -2.287
Start of MODEL 2
1 H1 ARG 1 HT1 ARG 1 13.224 0.834 4.228
2 H2 ARG 1 HT2 ARG 1 14.114 -0.123 3.160
3 H3 ARG 1 HT3 ARG 1 14.330 -0.297 4.826
4 HA ARG 1 HA ARG 1 13.025 -2.092 3.895
5 HB2 ARG 1 HB2 ARG 1 11.119 -1.936 5.466
6 HB3 ARG 1 HB1 ARG 1 12.642 -1.490 6.220
7 HG2 ARG 1 HG2 ARG 1 12.088 0.816 6.178
8 HG3 ARG 1 HG1 ARG 1 10.695 0.529 5.134
9 HD2 ARG 1 HD2 ARG 1 11.013 -0.447 7.975
10 HD3 ARG 1 HD1 ARG 1 10.019 0.913 7.458
11 HE ARG 1 HE ARG 1 9.469 -1.714 6.300
12 HH11 ARG 1 HH11 ARG 1 6.896 0.238 8.683
13 HH12 ARG 1 HH12 ARG 1 8.522 0.824 8.518
14 HH21 ARG 1 HH21 ARG 1 7.346 -2.483 6.513
15 HH22 ARG 1 HH22 ARG 1 6.230 -1.648 7.545
16 HA PRO 2 HA PRO 2 10.303 -0.740 0.633
17 HB2 PRO 2 HB2 PRO 2 9.525 -3.165 -0.235
18 HB3 PRO 2 HB1 PRO 2 11.144 -2.528 -0.561
19 HG2 PRO 2 HG2 PRO 2 10.264 -4.510 1.495
20 HG3 PRO 2 HG1 PRO 2 11.724 -4.511 0.489
21 HD2 PRO 2 HD2 PRO 2 11.657 -3.688 3.115
22 HD3 PRO 2 HD1 PRO 2 12.857 -3.133 1.932
23 H PHE 3 HN PHE 3 8.242 -0.153 0.684
24 HA PHE 3 HA PHE 3 6.550 -1.134 2.823
25 HB2 PHE 3 HB2 PHE 3 6.130 1.042 0.759
26 HB3 PHE 3 HB1 PHE 3 5.015 0.678 2.067
27 HD1 PHE 3 HD1 PHE 3 8.028 2.368 1.109
28 HD2 PHE 3 HD2 PHE 3 5.749 1.011 4.432
29 HE1 PHE 3 HE1 PHE 3 9.275 3.891 2.580
30 HE2 PHE 3 HE2 PHE 3 6.991 2.530 5.911
31 HZ PHE 3 HZ PHE 3 8.752 3.964 5.002
32 H NLE 4 HN NLE 4 5.880 -3.157 2.277
33 HA NLE 4 HA NLE 4 4.865 -3.595 -0.435
34 HB2 NLE 4 HB1 NLE 4 5.652 -5.598 1.688
35 HB3 NLE 4 HB2 NLE 4 6.669 -5.085 0.350
36 HG2 NLE 4 HG1 NLE 4 5.083 -6.042 -1.234
37 HG3 NLE 4 HG2 NLE 4 4.041 -6.538 0.101
38 HD2 NLE 4 HD1 NLE 4 5.838 -7.978 0.959
39 HD3 NLE 4 HD2 NLE 4 6.863 -7.491 -0.402
40 HE1 NLE 4 HE1 NLE 4 5.226 -8.410 -1.961
41 HE2 NLE 4 HE2 NLE 4 4.202 -8.893 -0.610
42 HE3 NLE 4 HE3 NLE 4 5.783 -9.640 -0.829
43 H CYS 5 HN CYS 5 2.825 -4.096 -0.849
44 HA CYS 5 HA CYS 5 0.821 -3.985 1.178
45 HB2 CYS 5 HB2 CYS 5 0.228 -3.193 -0.994
46 HB3 CYS 5 HB1 CYS 5 0.761 -4.687 -1.753
47 H THR 6 HN THR 6 -0.237 -5.606 2.184
48 HA THR 6 HA THR 6 0.578 -8.356 1.534
49 HB THR 6 HB THR 6 0.004 -8.804 3.995
50 HG1 THR 6 HG1 THR 6 0.075 -7.014 5.348
51 HG21 THR 6 HG21 THR 6 2.288 -8.859 3.141
52 HG22 THR 6 HG22 THR 6 2.247 -8.115 4.740
53 HG23 THR 6 HG23 THR 6 2.404 -7.106 3.301
54 H TRP 7 HN TRP 7 -1.733 -6.706 0.587
55 HA TRP 7 HA TRP 7 -4.017 -7.978 1.841
56 HB2 TRP 7 HB2 TRP 7 -3.805 -5.541 0.833
57 HB3 TRP 7 HB1 TRP 7 -4.235 -6.360 -0.659
58 HD1 TRP 7 HD1 TRP 7 -6.661 -7.773 -0.532
59 HE1 TRP 7 HE1 TRP 7 -8.835 -7.083 0.671
60 HE3 TRP 7 HE3 TRP 7 -4.727 -4.340 2.706
61 HZ2 TRP 7 HZ2 TRP 7 -9.619 -5.312 2.725
62 HZ3 TRP 7 HZ3 TRP 7 -6.250 -3.185 4.258
63 HH2 TRP 7 HH2 TRP 7 -8.646 -3.661 4.264
64 H ORN 8 HT1 ORN 8 -2.086 -13.465 -4.668
65 HA ORN 8 HA ORN 8 -3.942 -11.724 -3.174
66 HB2 ORN 8 HB1 ORN 8 -1.318 -12.991 -2.349
67 HB3 ORN 8 HB2 ORN 8 -2.909 -13.465 -1.772
68 HG2 ORN 8 HG1 ORN 8 -1.676 -10.756 -1.349
69 HG3 ORN 8 HG2 ORN 8 -1.658 -12.071 -0.172
70 HD2 ORN 8 HD1 ORN 8 -4.008 -12.004 0.086
71 HD3 ORN 8 HD2 ORN 8 -4.210 -10.991 -1.341
72 HE1 ORN 8 HE ORN 8 -3.243 -10.123 1.281
73 HT3 ORN 8 HT3 ORN 8 -3.610 -13.913 -4.089
74 H CYS 9 HN CYS 9 -3.278 -9.601 -2.914
75 HA CYS 9 HA CYS 9 -1.504 -8.653 -4.998
76 HB2 CYS 9 HB2 CYS 9 -3.616 -7.517 -4.693
77 HB3 CYS 9 HB1 CYS 9 -3.263 -7.237 -2.992
78 H GLY 10 HN GLY 10 0.506 -7.813 -4.696
79 HA2 GLY 10 HA2 GLY 10 1.434 -7.153 -2.024
80 HA3 GLY 10 HA1 GLY 10 2.195 -8.546 -2.775
81 H LYS 11 HN LYS 11 1.283 -5.251 -3.781
82 HA LYS 11 HA LYS 11 3.684 -5.007 -5.367
83 HB2 LYS 11 HB2 LYS 11 1.501 -3.018 -4.710
84 HB3 LYS 11 HB1 LYS 11 2.816 -2.721 -5.841
85 HG2 LYS 11 HG2 LYS 11 2.031 -4.545 -7.251
86 HG3 LYS 11 HG1 LYS 11 0.726 -4.874 -6.109
87 HD2 LYS 11 HD2 LYS 11 -0.169 -2.631 -6.496
88 HD3 LYS 11 HD1 LYS 11 1.132 -2.308 -7.639
89 HE2 LYS 11 HE2 LYS 11 -0.924 -4.497 -7.928
90 HE3 LYS 11 HE1 LYS 11 -0.991 -2.935 -8.743
91 HZ1 LYS 11 HZ1 LYS 11 -0.073 -4.559 -10.220
92 HZ2 LYS 11 HZ2 LYS 11 1.097 -5.018 -9.086
93 HZ3 LYS 11 HZ3 LYS 11 1.156 -3.478 -9.784
94 H ARG 12 HN ARG 12 5.377 -3.512 -4.994
95 HA ARG 12 HA ARG 12 5.651 -2.783 -2.157
96 HB2 ARG 12 HB2 ARG 12 7.797 -3.389 -4.198
97 HB3 ARG 12 HB1 ARG 12 8.101 -2.878 -2.544
98 HG2 ARG 12 HG2 ARG 12 7.016 -4.886 -1.708
99 HG3 ARG 12 HG1 ARG 12 6.671 -5.396 -3.360
100 HD2 ARG 12 HD2 ARG 12 9.080 -5.489 -3.822
101 HD3 ARG 12 HD1 ARG 12 9.410 -4.992 -2.162
102 HE ARG 12 HE ARG 12 7.899 -7.456 -2.692
103 HH11 ARG 12 HH11 ARG 12 10.763 -5.873 -1.451
104 HH12 ARG 12 HH12 ARG 12 11.299 -7.255 -0.552
105 HH21 ARG 12 HH21 ARG 12 10.063 -9.197 -0.587
106 HH22 ARG 12 HH22 ARG 12 8.602 -9.288 -1.516
107 H PHE 13 HN PHE 13 6.267 -0.769 -1.577
108 HA PHE 13 HA PHE 13 6.613 1.225 -3.714
109 HB2 PHE 13 HB2 PHE 13 5.021 1.564 -1.159
110 HB3 PHE 13 HB1 PHE 13 5.252 2.787 -2.407
111 HD1 PHE 13 HD1 PHE 13 4.052 2.676 -4.492
112 HD2 PHE 13 HD2 PHE 13 3.551 -0.321 -1.515
113 HE1 PHE 13 HE1 PHE 13 2.052 1.852 -5.661
114 HE2 PHE 13 HE2 PHE 13 1.550 -1.148 -2.674
115 HZ PHE 13 HZ PHE 13 0.799 -0.061 -4.753
116 H THR 14 HN THR 14 7.920 3.045 -3.134
117 HA THR 14 HA THR 14 9.796 2.469 -0.970
118 HB THR 14 HB THR 14 10.867 4.644 -2.029
119 HG1 THR 14 HG1 THR 14 9.656 3.614 -4.355
120 HG21 THR 14 HG21 THR 14 10.914 1.933 -3.365
121 HG22 THR 14 HG22 THR 14 11.930 2.449 -2.019
122 HG23 THR 14 HG23 THR 14 12.111 3.205 -3.600
123 H ARG 15 HN ARG 15 6.947 4.002 -1.194
124 HA ARG 15 HA ARG 15 7.659 5.974 0.864
125 HB2 ARG 15 HB2 ARG 15 5.708 6.459 -1.400
126 HB3 ARG 15 HB1 ARG 15 6.135 7.600 -0.135
127 HG2 ARG 15 HG2 ARG 15 8.402 7.733 -0.977
128 HG3 ARG 15 HG1 ARG 15 8.039 6.522 -2.205
129 HD2 ARG 15 HD2 ARG 15 7.982 8.745 -3.169
130 HD3 ARG 15 HD1 ARG 15 6.371 8.030 -3.185
131 HE ARG 15 HE ARG 15 6.928 9.696 -0.894
132 HH11 ARG 15 HH11 ARG 15 5.684 9.605 -4.177
133 HH12 ARG 15 HH12 ARG 15 4.761 11.062 -3.997
134 HH21 ARG 15 HH21 ARG 15 5.723 11.612 -0.669
135 HH22 ARG 15 HH22 ARG 15 4.788 12.204 -2.004
136 H SER 16 HN SER 16 6.333 6.014 2.581
137 HA SER 16 HA SER 16 4.583 3.826 2.974
138 HB2 SER 16 HB2 SER 16 4.081 5.081 5.160
139 HB3 SER 16 HB1 SER 16 5.750 4.585 4.879
140 HG SER 16 HG SER 16 6.336 6.621 4.605
141 H ASP 17 HN ASP 17 4.037 7.250 2.284
142 HA ASP 17 HA ASP 17 1.228 7.218 2.622
143 HB2 ASP 17 HB2 ASP 17 2.500 9.318 2.458
144 HB3 ASP 17 HB1 ASP 17 2.891 8.955 0.784
145 H GLU 18 HN GLU 18 3.333 6.338 -0.002
146 HA GLU 18 HA GLU 18 1.368 6.059 -2.008
147 HB2 GLU 18 HB2 GLU 18 4.109 4.860 -1.659
148 HB3 GLU 18 HB1 GLU 18 3.108 4.543 -3.069
149 HG2 GLU 18 HG2 GLU 18 3.863 7.311 -2.193
150 HG3 GLU 18 HG1 GLU 18 4.832 6.345 -3.312
151 H LEU 19 HN LEU 19 2.871 3.748 0.230
152 HA LEU 19 HA LEU 19 1.372 1.513 -0.619
153 HB2 LEU 19 HB2 LEU 19 3.347 1.156 0.681
154 HB3 LEU 19 HB1 LEU 19 2.723 2.131 1.998
155 HG LEU 19 HG LEU 19 0.944 0.437 2.368
156 HD11 LEU 19 HD11 LEU 19 1.165 -1.760 1.341
157 HD12 LEU 19 HD12 LEU 19 2.503 -1.175 0.354
158 HD13 LEU 19 HD13 LEU 19 0.883 -0.515 0.125
159 HD21 LEU 19 HD21 LEU 19 2.322 -1.103 3.536
160 HD22 LEU 19 HD22 LEU 19 3.124 0.467 3.600
161 HD23 LEU 19 HD23 LEU 19 3.693 -0.773 2.482
162 H GLN 20 HN GLN 20 0.816 3.854 1.996
163 HA GLN 20 HA GLN 20 -1.490 2.611 3.020
164 HB2 GLN 20 HB2 GLN 20 -0.167 4.338 4.207
165 HB3 GLN 20 HB1 GLN 20 -0.773 5.548 3.087
166 HG2 GLN 20 HG2 GLN 20 -2.015 5.701 5.108
167 HG3 GLN 20 HG1 GLN 20 -3.067 5.041 3.862
168 HE21 GLN 20 HE21 GLN 20 -3.337 4.868 6.725
169 HE22 GLN 20 HE22 GLN 20 -3.342 3.187 7.129
170 H ARG 21 HN ARG 21 -1.055 5.109 0.557
171 HA ARG 21 HA ARG 21 -3.785 5.571 0.011
172 HB2 ARG 21 HB2 ARG 21 -1.846 6.954 -0.799
173 HB3 ARG 21 HB1 ARG 21 -1.511 5.689 -1.968
174 HG2 ARG 21 HG2 ARG 21 -3.777 6.023 -2.909
175 HG3 ARG 21 HG1 ARG 21 -3.991 7.382 -1.801
176 HD2 ARG 21 HD2 ARG 21 -2.006 7.110 -4.045
177 HD3 ARG 21 HD1 ARG 21 -3.291 8.304 -3.870
178 HE ARG 21 HE ARG 21 -1.380 8.394 -1.737
179 HH11 ARG 21 HH11 ARG 21 -2.105 9.502 -4.971
180 HH12 ARG 21 HH12 ARG 21 -1.031 10.861 -4.881
181 HH21 ARG 21 HH21 ARG 21 0.038 10.152 -1.606
182 HH22 ARG 21 HH22 ARG 21 0.191 11.229 -2.965
183 H HIS 22 HN HIS 22 -1.424 3.332 -1.380
184 HA HIS 22 HA HIS 22 -3.043 2.095 -3.258
185 HB2 HIS 22 HB2 HIS 22 -0.704 1.616 -3.274
186 HB3 HIS 22 HB1 HIS 22 -0.737 1.054 -1.606
187 HD1 HIS 22 HD1 HIS 22 -1.258 -0.123 -5.113
188 HD2 HIS 22 HD2 HIS 22 -1.875 -1.486 -1.220
189 HE1 HIS 22 HE1 HIS 22 -1.877 -2.591 -5.287
190 H LYS 23 HN LYS 23 -2.617 1.358 0.187
191 HA LYS 23 HA LYS 23 -4.355 -0.843 0.296
192 HB2 LYS 23 HB2 LYS 23 -3.593 1.163 2.413
193 HB3 LYS 23 HB1 LYS 23 -4.543 -0.280 2.738
194 HG2 LYS 23 HG2 LYS 23 -2.680 -1.670 1.947
195 HG3 LYS 23 HG1 LYS 23 -1.723 -0.210 1.684
196 HD2 LYS 23 HD2 LYS 23 -1.857 0.325 4.050
197 HD3 LYS 23 HD1 LYS 23 -2.873 -1.091 4.327
198 HE2 LYS 23 HE2 LYS 23 -1.027 -2.530 3.551
199 HE3 LYS 23 HE1 LYS 23 -0.015 -1.099 3.363
200 HZ1 LYS 23 HZ1 LYS 23 0.391 -2.257 5.459
201 HZ2 LYS 23 HZ2 LYS 23 -1.216 -2.011 5.918
202 HZ3 LYS 23 HZ3 LYS 23 -0.185 -0.688 5.721
203 H ARG 24 HN ARG 24 -4.946 2.609 0.354
204 HA ARG 24 HA ARG 24 -7.656 2.491 1.188
205 HB2 ARG 24 HB2 ARG 24 -6.290 4.566 1.191
206 HB3 ARG 24 HB1 ARG 24 -6.326 4.567 -0.565
207 HG2 ARG 24 HG2 ARG 24 -8.775 4.768 -0.493
208 HG3 ARG 24 HG1 ARG 24 -8.700 4.837 1.268
209 HD2 ARG 24 HD2 ARG 24 -7.339 6.860 1.133
210 HD3 ARG 24 HD1 ARG 24 -7.395 6.786 -0.628
211 HE ARG 24 HE ARG 24 -10.015 6.809 0.455
212 HH11 ARG 24 HH11 ARG 24 -8.229 10.331 -0.275
213 HH12 ARG 24 HH12 ARG 24 -7.272 8.889 -0.166
214 HH21 ARG 24 HH21 ARG 24 -10.515 10.222 0.000
215 HH22 ARG 24 HH22 ARG 24 -11.278 8.696 0.310
216 H THR 25 HN THR 25 -6.121 1.522 -1.670
217 HA THR 25 HA THR 25 -8.457 1.838 -3.352
218 HB THR 25 HB THR 25 -5.935 0.275 -3.940
219 HG1 THR 25 HG1 THR 25 -5.799 2.670 -3.406
220 HG21 THR 25 HG21 THR 25 -8.014 1.505 -5.758
221 HG22 THR 25 HG22 THR 25 -7.820 -0.216 -5.432
222 HG23 THR 25 HG23 THR 25 -6.553 0.669 -6.281
223 H HIS 26 HN HIS 26 -7.141 -0.498 -1.175
224 HA HIS 26 HA HIS 26 -8.834 -2.642 -2.158
225 HB2 HIS 26 HB2 HIS 26 -7.033 -2.422 0.257
226 HB3 HIS 26 HB1 HIS 26 -8.058 -3.817 -0.046
227 HD1 HIS 26 HD1 HIS 26 -7.507 -5.007 -2.541
228 HD2 HIS 26 HD2 HIS 26 -4.571 -2.669 -0.718
229 HE1 HIS 26 HE1 HIS 26 -5.280 -5.692 -3.579
230 H THR 27 HN THR 27 -8.679 -0.356 0.525
231 HA THR 27 HA THR 27 -11.200 -1.261 1.624
232 HB THR 27 HB THR 27 -10.886 0.777 3.123
233 HG1 THR 27 HG1 THR 27 -9.265 2.066 2.699
234 HG21 THR 27 HG21 THR 27 -8.717 -1.323 3.052
235 HG22 THR 27 HG22 THR 27 -10.284 -1.473 3.847
236 HG23 THR 27 HG23 THR 27 -9.104 -0.301 4.434
237 H GLY 28 HN GLY 28 -10.475 0.432 -1.029
238 HA2 GLY 28 HA2 GLY 28 -12.484 2.511 -0.768
239 HA3 GLY 28 HA1 GLY 28 -11.448 2.230 -2.161
240 H GLU 29 HN GLU 29 -14.489 2.465 -1.664
241 HA GLU 29 HA GLU 29 -15.467 -0.111 -2.473
242 HB2 GLU 29 HB2 GLU 29 -17.669 1.010 -2.583
243 HB3 GLU 29 HB1 GLU 29 -16.861 1.269 -1.045
244 HG2 GLU 29 HG2 GLU 29 -16.213 3.501 -1.734
245 HG3 GLU 29 HG1 GLU 29 -16.936 3.240 -3.318
246 H LYS 30 HN LYS 30 -16.225 -0.722 -4.464
247 HA LYS 30 HA LYS 30 -15.690 1.150 -6.671
248 HB2 LYS 30 HB2 LYS 30 -15.332 -1.856 -6.721
249 HB3 LYS 30 HB1 LYS 30 -15.052 -0.762 -8.069
250 HG2 LYS 30 HG2 LYS 30 -13.286 0.351 -6.689
251 HG3 LYS 30 HG1 LYS 30 -13.495 -0.935 -5.500
252 HD2 LYS 30 HD2 LYS 30 -12.696 -1.315 -8.386
253 HD3 LYS 30 HD1 LYS 30 -11.608 -1.382 -7.001
254 HE2 LYS 30 HE2 LYS 30 -13.951 -3.222 -7.485
255 HE3 LYS 30 HE1 LYS 30 -12.261 -3.619 -7.788
256 HZ1 LYS 30 HZ1 LYS 30 -11.817 -3.316 -5.425
257 HZ2 LYS 30 HZ2 LYS 30 -12.998 -4.502 -5.674
258 HZ3 LYS 30 HZ3 LYS 30 -13.445 -2.963 -5.145
259 HN1 NH2 31 HN1 NH2 31 -17.797 1.836 -6.757
260 HN2 NH2 31 HN2 NH2 31 -19.103 0.824 -7.273
Start of MODEL 3
1 H1 ARG 1 HT1 ARG 1 14.371 -0.248 3.060
2 H2 ARG 1 HT2 ARG 1 14.338 -1.588 2.034
3 H3 ARG 1 HT3 ARG 1 15.139 -1.685 3.517
4 HA ARG 1 HA ARG 1 13.034 -2.827 3.639
5 HB2 ARG 1 HB2 ARG 1 12.869 -0.202 5.131
6 HB3 ARG 1 HB1 ARG 1 12.150 -1.734 5.601
7 HG2 ARG 1 HG2 ARG 1 14.326 -2.682 6.020
8 HG3 ARG 1 HG1 ARG 1 15.112 -1.221 5.416
9 HD2 ARG 1 HD2 ARG 1 15.137 -1.148 7.811
10 HD3 ARG 1 HD1 ARG 1 13.992 0.059 7.231
11 HE ARG 1 HE ARG 1 12.973 -2.566 8.032
12 HH11 ARG 1 HH11 ARG 1 12.032 0.876 9.886
13 HH12 ARG 1 HH12 ARG 1 13.263 0.869 8.665
14 HH21 ARG 1 HH21 ARG 1 11.366 -2.561 9.643
15 HH22 ARG 1 HH22 ARG 1 10.957 -1.080 10.448
16 HA PRO 2 HA PRO 2 10.303 -0.581 0.826
17 HB2 PRO 2 HB2 PRO 2 9.120 -2.691 -0.304
18 HB3 PRO 2 HB1 PRO 2 10.791 -2.256 -0.692
19 HG2 PRO 2 HG2 PRO 2 9.759 -4.418 1.084
20 HG3 PRO 2 HG1 PRO 2 11.155 -4.432 -0.005
21 HD2 PRO 2 HD2 PRO 2 11.249 -4.017 2.759
22 HD3 PRO 2 HD1 PRO 2 12.539 -3.609 1.611
23 H PHE 3 HN PHE 3 8.087 -0.221 0.667
24 HA PHE 3 HA PHE 3 6.503 -1.148 2.947
25 HB2 PHE 3 HB2 PHE 3 6.032 1.099 0.971
26 HB3 PHE 3 HB1 PHE 3 4.982 0.711 2.325
27 HD1 PHE 3 HD1 PHE 3 8.046 2.305 1.274
28 HD2 PHE 3 HD2 PHE 3 5.744 1.089 4.638
29 HE1 PHE 3 HE1 PHE 3 9.382 3.783 2.717
30 HE2 PHE 3 HE2 PHE 3 7.077 2.562 6.088
31 HZ PHE 3 HZ PHE 3 8.873 3.924 5.138
32 H NLE 4 HN NLE 4 5.844 -3.161 2.278
33 HA NLE 4 HA NLE 4 4.811 -3.447 -0.439
34 HB2 NLE 4 HB1 NLE 4 5.446 -5.593 1.586
35 HB3 NLE 4 HB2 NLE 4 6.585 -4.995 0.390
36 HG2 NLE 4 HG1 NLE 4 5.073 -5.764 -1.398
37 HG3 NLE 4 HG2 NLE 4 3.994 -6.425 -0.167
38 HD2 NLE 4 HD1 NLE 4 5.768 -7.914 0.610
39 HD3 NLE 4 HD2 NLE 4 6.869 -7.242 -0.604
40 HE1 NLE 4 HE1 NLE 4 5.359 -8.006 -2.377
41 HE2 NLE 4 HE2 NLE 4 4.291 -8.704 -1.158
42 HE3 NLE 4 HE3 NLE 4 5.919 -9.346 -1.376
43 H CYS 5 HN CYS 5 2.778 -3.946 -0.920
44 HA CYS 5 HA CYS 5 0.694 -3.667 0.947
45 HB2 CYS 5 HB2 CYS 5 0.212 -3.180 -1.326
46 HB3 CYS 5 HB1 CYS 5 0.799 -4.751 -1.862
47 H THR 6 HN THR 6 -0.448 -5.119 2.131
48 HA THR 6 HA THR 6 0.585 -7.874 2.144
49 HB THR 6 HB THR 6 -0.305 -7.900 4.520
50 HG1 THR 6 HG1 THR 6 -1.653 -6.117 4.528
51 HG21 THR 6 HG21 THR 6 1.882 -5.925 3.854
52 HG22 THR 6 HG22 THR 6 2.079 -7.669 4.031
53 HG23 THR 6 HG23 THR 6 1.630 -6.688 5.426
54 H TRP 7 HN TRP 7 -1.721 -6.758 0.524
55 HA TRP 7 HA TRP 7 -3.902 -8.328 1.707
56 HB2 TRP 7 HB2 TRP 7 -4.310 -5.917 1.104
57 HB3 TRP 7 HB1 TRP 7 -4.095 -6.373 -0.580
58 HD1 TRP 7 HD1 TRP 7 -5.981 -8.011 -1.643
59 HE1 TRP 7 HE1 TRP 7 -8.457 -8.338 -1.025
60 HE3 TRP 7 HE3 TRP 7 -5.920 -5.931 3.013
61 HZ2 TRP 7 HZ2 TRP 7 -10.159 -7.777 1.156
62 HZ3 TRP 7 HZ3 TRP 7 -8.013 -5.859 4.303
63 HH2 TRP 7 HH2 TRP 7 -10.088 -6.763 3.390
64 H ORN 8 HT1 ORN 8 -2.924 -13.944 -4.438
65 HA ORN 8 HA ORN 8 -3.490 -11.813 -3.498
66 HB2 ORN 8 HB1 ORN 8 -0.764 -12.816 -2.645
67 HB3 ORN 8 HB2 ORN 8 -2.305 -13.470 -2.110
68 HG2 ORN 8 HG1 ORN 8 -1.376 -10.652 -1.608
69 HG3 ORN 8 HG2 ORN 8 -1.249 -11.983 -0.455
70 HD2 ORN 8 HD1 ORN 8 -3.613 -12.190 -0.308
71 HD3 ORN 8 HD2 ORN 8 -3.859 -11.096 -1.665
72 HE1 ORN 8 HE ORN 8 -3.267 -10.368 1.072
73 HT3 ORN 8 HT3 ORN 8 -2.893 -12.737 -5.620
74 H CYS 9 HN CYS 9 -3.196 -9.648 -3.423
75 HA CYS 9 HA CYS 9 -1.410 -8.454 -5.300
76 HB2 CYS 9 HB2 CYS 9 -3.612 -7.489 -4.816
77 HB3 CYS 9 HB1 CYS 9 -3.137 -7.232 -3.142
78 H GLY 10 HN GLY 10 0.546 -7.468 -4.926
79 HA2 GLY 10 HA2 GLY 10 1.493 -7.130 -2.202
80 HA3 GLY 10 HA1 GLY 10 2.304 -8.375 -3.139
81 H LYS 11 HN LYS 11 1.094 -5.197 -4.124
82 HA LYS 11 HA LYS 11 3.477 -4.593 -5.547
83 HB2 LYS 11 HB2 LYS 11 1.212 -2.788 -4.673
84 HB3 LYS 11 HB1 LYS 11 2.497 -2.317 -5.777
85 HG2 LYS 11 HG2 LYS 11 1.753 -4.229 -7.248
86 HG3 LYS 11 HG1 LYS 11 0.331 -4.350 -6.210
87 HD2 LYS 11 HD2 LYS 11 -0.228 -2.023 -6.712
88 HD3 LYS 11 HD1 LYS 11 1.191 -1.904 -7.752
89 HE2 LYS 11 HE2 LYS 11 0.266 -3.719 -9.154
90 HE3 LYS 11 HE1 LYS 11 -1.179 -3.723 -8.147
91 HZ1 LYS 11 HZ1 LYS 11 -1.532 -1.389 -8.771
92 HZ2 LYS 11 HZ2 LYS 11 -1.564 -2.420 -10.109
93 HZ3 LYS 11 HZ3 LYS 11 -0.201 -1.469 -9.809
94 H ARG 12 HN ARG 12 5.280 -3.565 -4.904
95 HA ARG 12 HA ARG 12 5.405 -2.775 -2.082
96 HB2 ARG 12 HB2 ARG 12 7.809 -3.108 -2.209
97 HB3 ARG 12 HB1 ARG 12 6.982 -4.549 -2.785
98 HG2 ARG 12 HG2 ARG 12 7.451 -3.980 -5.062
99 HG3 ARG 12 HG1 ARG 12 8.116 -2.418 -4.581
100 HD2 ARG 12 HD2 ARG 12 9.856 -3.660 -3.278
101 HD3 ARG 12 HD1 ARG 12 9.242 -5.153 -3.992
102 HE ARG 12 HE ARG 12 9.748 -3.507 -6.123
103 HH11 ARG 12 HH11 ARG 12 11.627 -4.841 -3.487
104 HH12 ARG 12 HH12 ARG 12 13.122 -4.790 -4.361
105 HH21 ARG 12 HH21 ARG 12 13.178 -3.989 -6.508
106 HH22 ARG 12 HH22 ARG 12 11.727 -3.412 -7.263
107 H PHE 13 HN PHE 13 6.126 -0.798 -1.461
108 HA PHE 13 HA PHE 13 6.566 1.173 -3.604
109 HB2 PHE 13 HB2 PHE 13 4.981 1.554 -1.052
110 HB3 PHE 13 HB1 PHE 13 5.269 2.785 -2.280
111 HD1 PHE 13 HD1 PHE 13 4.105 2.732 -4.389
112 HD2 PHE 13 HD2 PHE 13 3.445 -0.266 -1.449
113 HE1 PHE 13 HE1 PHE 13 2.095 1.997 -5.598
114 HE2 PHE 13 HE2 PHE 13 1.430 -1.008 -2.647
115 HZ PHE 13 HZ PHE 13 0.754 0.124 -4.725
116 H THR 14 HN THR 14 7.912 2.958 -3.035
117 HA THR 14 HA THR 14 9.850 2.301 -0.960
118 HB THR 14 HB THR 14 11.077 4.311 -1.978
119 HG1 THR 14 HG1 THR 14 10.360 4.846 -4.106
120 HG21 THR 14 HG21 THR 14 11.892 2.998 -3.882
121 HG22 THR 14 HG22 THR 14 10.510 1.915 -3.728
122 HG23 THR 14 HG23 THR 14 11.716 1.991 -2.444
123 H ARG 15 HN ARG 15 7.024 3.909 -1.041
124 HA ARG 15 HA ARG 15 7.820 5.694 1.141
125 HB2 ARG 15 HB2 ARG 15 6.068 6.486 -1.197
126 HB3 ARG 15 HB1 ARG 15 6.317 7.460 0.243
127 HG2 ARG 15 HG2 ARG 15 8.474 6.639 -1.685
128 HG3 ARG 15 HG1 ARG 15 7.663 8.204 -1.670
129 HD2 ARG 15 HD2 ARG 15 8.520 8.655 0.548
130 HD3 ARG 15 HD1 ARG 15 9.248 7.056 0.624
131 HE ARG 15 HE ARG 15 10.673 7.798 -1.268
132 HH11 ARG 15 HH11 ARG 15 9.219 10.172 0.853
133 HH12 ARG 15 HH12 ARG 15 10.450 11.358 0.570
134 HH21 ARG 15 HH21 ARG 15 12.290 9.356 -1.641
135 HH22 ARG 15 HH22 ARG 15 12.194 10.895 -0.851
136 H SER 16 HN SER 16 6.432 5.711 2.804
137 HA SER 16 HA SER 16 4.537 3.640 3.021
138 HB2 SER 16 HB2 SER 16 5.766 4.564 4.961
139 HB3 SER 16 HB1 SER 16 4.863 6.068 4.805
140 HG SER 16 HG SER 16 4.133 4.256 6.326
141 H ASP 17 HN ASP 17 4.224 7.078 2.344
142 HA ASP 17 HA ASP 17 1.416 7.218 2.595
143 HB2 ASP 17 HB2 ASP 17 1.681 9.303 1.181
144 HB3 ASP 17 HB1 ASP 17 2.606 9.265 2.673
145 H GLU 18 HN GLU 18 3.531 6.389 -0.084
146 HA GLU 18 HA GLU 18 1.557 6.210 -2.088
147 HB2 GLU 18 HB2 GLU 18 4.154 4.706 -1.735
148 HB3 GLU 18 HB1 GLU 18 3.153 4.603 -3.174
149 HG2 GLU 18 HG2 GLU 18 4.397 7.128 -2.119
150 HG3 GLU 18 HG1 GLU 18 5.068 6.125 -3.407
151 H LEU 19 HN LEU 19 2.884 3.816 0.168
152 HA LEU 19 HA LEU 19 1.283 1.664 -0.692
153 HB2 LEU 19 HB2 LEU 19 3.245 1.221 0.611
154 HB3 LEU 19 HB1 LEU 19 2.647 2.197 1.938
155 HG LEU 19 HG LEU 19 0.838 0.567 2.327
156 HD11 LEU 19 HD11 LEU 19 2.218 -1.069 0.200
157 HD12 LEU 19 HD12 LEU 19 0.645 -0.288 0.041
158 HD13 LEU 19 HD13 LEU 19 0.866 -1.589 1.207
159 HD21 LEU 19 HD21 LEU 19 3.034 0.407 3.489
160 HD22 LEU 19 HD22 LEU 19 3.539 -0.770 2.273
161 HD23 LEU 19 HD23 LEU 19 2.183 -1.131 3.340
162 H GLN 20 HN GLN 20 0.775 4.137 1.779
163 HA GLN 20 HA GLN 20 -1.559 3.034 2.895
164 HB2 GLN 20 HB2 GLN 20 -0.640 5.904 2.713
165 HB3 GLN 20 HB1 GLN 20 -2.023 5.376 3.659
166 HG2 GLN 20 HG2 GLN 20 -0.598 4.006 5.045
167 HG3 GLN 20 HG1 GLN 20 0.801 4.414 4.056
168 HE21 GLN 20 HE21 GLN 20 1.948 5.321 5.713
169 HE22 GLN 20 HE22 GLN 20 1.505 6.815 6.462
170 H ARG 21 HN ARG 21 -1.093 5.378 0.271
171 HA ARG 21 HA ARG 21 -3.802 5.788 -0.334
172 HB2 ARG 21 HB2 ARG 21 -1.858 7.090 -1.258
173 HB3 ARG 21 HB1 ARG 21 -1.531 5.733 -2.321
174 HG2 ARG 21 HG2 ARG 21 -3.774 5.992 -3.306
175 HG3 ARG 21 HG1 ARG 21 -4.028 7.411 -2.287
176 HD2 ARG 21 HD2 ARG 21 -3.332 8.139 -4.472
177 HD3 ARG 21 HD1 ARG 21 -2.034 8.456 -3.325
178 HE ARG 21 HE ARG 21 -2.065 6.236 -5.269
179 HH11 ARG 21 HH11 ARG 21 -0.338 8.495 -3.227
180 HH12 ARG 21 HH12 ARG 21 1.228 8.050 -3.835
181 HH21 ARG 21 HH21 ARG 21 -0.002 5.640 -6.063
182 HH22 ARG 21 HH22 ARG 21 1.422 6.426 -5.438
183 H HIS 22 HN HIS 22 -1.469 3.447 -1.633
184 HA HIS 22 HA HIS 22 -3.198 2.108 -3.369
185 HB2 HIS 22 HB2 HIS 22 -0.836 1.700 -3.537
186 HB3 HIS 22 HB1 HIS 22 -0.754 1.144 -1.866
187 HD1 HIS 22 HD1 HIS 22 -1.651 -0.008 -5.319
188 HD2 HIS 22 HD2 HIS 22 -1.744 -1.443 -1.400
189 HE1 HIS 22 HE1 HIS 22 -2.266 -2.475 -5.456
190 H LYS 23 HN LYS 23 -2.426 1.520 0.016
191 HA LYS 23 HA LYS 23 -3.794 -0.845 0.444
192 HB2 LYS 23 HB2 LYS 23 -2.243 0.212 2.038
193 HB3 LYS 23 HB1 LYS 23 -3.414 1.486 2.334
194 HG2 LYS 23 HG2 LYS 23 -3.443 -0.074 4.150
195 HG3 LYS 23 HG1 LYS 23 -4.959 -0.191 3.256
196 HD2 LYS 23 HD2 LYS 23 -4.415 -2.253 2.353
197 HD3 LYS 23 HD1 LYS 23 -2.684 -2.022 2.611
198 HE2 LYS 23 HE2 LYS 23 -3.746 -3.672 4.150
199 HE3 LYS 23 HE1 LYS 23 -2.915 -2.347 4.962
200 HZ1 LYS 23 HZ1 LYS 23 -5.852 -2.501 4.510
201 HZ2 LYS 23 HZ2 LYS 23 -5.033 -1.280 5.346
202 HZ3 LYS 23 HZ3 LYS 23 -5.065 -2.853 5.968
203 H ARG 24 HN ARG 24 -4.975 2.433 0.218
204 HA ARG 24 HA ARG 24 -7.537 1.874 1.347
205 HB2 ARG 24 HB2 ARG 24 -6.462 4.211 -0.220
206 HB3 ARG 24 HB1 ARG 24 -8.111 4.147 0.390
207 HG2 ARG 24 HG2 ARG 24 -7.299 3.973 2.664
208 HG3 ARG 24 HG1 ARG 24 -5.633 3.937 2.087
209 HD2 ARG 24 HD2 ARG 24 -5.856 6.187 1.211
210 HD3 ARG 24 HD1 ARG 24 -7.554 6.224 1.682
211 HE ARG 24 HE ARG 24 -6.299 5.710 4.015
212 HH11 ARG 24 HH11 ARG 24 -5.263 9.355 2.690
213 HH12 ARG 24 HH12 ARG 24 -5.819 8.158 1.565
214 HH21 ARG 24 HH21 ARG 24 -5.132 8.865 4.924
215 HH22 ARG 24 HH22 ARG 24 -5.592 7.295 5.506
216 H THR 25 HN THR 25 -6.258 0.874 -1.545
217 HA THR 25 HA THR 25 -8.701 1.030 -3.077
218 HB THR 25 HB THR 25 -7.652 -0.472 -4.676
219 HG1 THR 25 HG1 THR 25 -5.307 -0.604 -3.099
220 HG21 THR 25 HG21 THR 25 -7.014 1.862 -4.841
221 HG22 THR 25 HG22 THR 25 -5.645 0.831 -5.258
222 HG23 THR 25 HG23 THR 25 -5.712 1.611 -3.678
223 H HIS 26 HN HIS 26 -7.149 -1.159 -0.860
224 HA HIS 26 HA HIS 26 -9.200 -3.199 -1.268
225 HB2 HIS 26 HB2 HIS 26 -6.908 -3.270 0.699
226 HB3 HIS 26 HB1 HIS 26 -7.886 -4.622 0.155
227 HD1 HIS 26 HD1 HIS 26 -7.529 -5.108 -2.622
228 HD2 HIS 26 HD2 HIS 26 -4.541 -3.132 -0.477
229 HE1 HIS 26 HE1 HIS 26 -5.350 -5.459 -3.906
230 H THR 27 HN THR 27 -7.819 -1.188 1.288
231 HA THR 27 HA THR 27 -10.025 -1.899 3.062
232 HB THR 27 HB THR 27 -7.541 -0.313 3.728
233 HG1 THR 27 HG1 THR 27 -8.028 -3.094 3.588
234 HG21 THR 27 HG21 THR 27 -8.047 -0.952 6.023
235 HG22 THR 27 HG22 THR 27 -9.453 -1.863 5.478
236 HG23 THR 27 HG23 THR 27 -9.424 -0.108 5.313
237 H GLY 28 HN GLY 28 -11.598 -0.636 1.996
238 HA2 GLY 28 HA2 GLY 28 -11.511 2.167 2.859
239 HA3 GLY 28 HA1 GLY 28 -11.945 1.806 1.192
240 H GLU 29 HN GLU 29 -13.845 0.540 0.805
241 HA GLU 29 HA GLU 29 -15.741 0.521 3.056
242 HB2 GLU 29 HB2 GLU 29 -16.307 2.193 1.283
243 HB3 GLU 29 HB1 GLU 29 -16.404 0.875 0.123
244 HG2 GLU 29 HG2 GLU 29 -18.216 -0.131 1.432
245 HG3 GLU 29 HG1 GLU 29 -18.144 1.228 2.552
246 H LYS 30 HN LYS 30 -14.787 -1.007 0.013
247 HA LYS 30 HA LYS 30 -16.306 -3.400 0.660
248 HB2 LYS 30 HB2 LYS 30 -14.516 -2.898 -1.727
249 HB3 LYS 30 HB1 LYS 30 -15.726 -4.161 -1.560
250 HG2 LYS 30 HG2 LYS 30 -16.257 -1.201 -1.737
251 HG3 LYS 30 HG1 LYS 30 -16.520 -2.392 -3.011
252 HD2 LYS 30 HD2 LYS 30 -18.186 -3.517 -1.626
253 HD3 LYS 30 HD1 LYS 30 -17.906 -2.351 -0.331
254 HE2 LYS 30 HE2 LYS 30 -19.908 -1.789 -1.607
255 HE3 LYS 30 HE1 LYS 30 -18.672 -0.544 -1.774
256 HZ1 LYS 30 HZ1 LYS 30 -18.089 -1.425 -3.923
257 HZ2 LYS 30 HZ2 LYS 30 -19.747 -1.096 -3.885
258 HZ3 LYS 30 HZ3 LYS 30 -19.200 -2.689 -3.758
259 HN1 NH2 31 HN1 NH2 31 -13.042 -3.033 -0.652
260 HN2 NH2 31 HN2 NH2 31 -12.275 -4.112 0.456
Start of MODEL 4
1 H1 ARG 1 HT1 ARG 1 14.187 0.183 2.884
2 H2 ARG 1 HT2 ARG 1 14.677 -0.658 4.267
3 H3 ARG 1 HT3 ARG 1 13.284 0.298 4.309
4 HA ARG 1 HA ARG 1 13.636 -2.099 2.619
5 HB2 ARG 1 HB2 ARG 1 12.143 -3.248 4.155
6 HB3 ARG 1 HB1 ARG 1 13.542 -2.653 5.032
7 HG2 ARG 1 HG2 ARG 1 12.219 -0.775 5.865
8 HG3 ARG 1 HG1 ARG 1 10.813 -1.379 4.986
9 HD2 ARG 1 HD2 ARG 1 10.959 -3.483 6.293
10 HD3 ARG 1 HD1 ARG 1 12.289 -2.779 7.214
11 HE ARG 1 HE ARG 1 10.151 -1.012 7.380
12 HH11 ARG 1 HH11 ARG 1 9.865 -4.249 9.741
13 HH12 ARG 1 HH12 ARG 1 10.923 -4.274 8.368
14 HH21 ARG 1 HH21 ARG 1 8.768 -0.958 9.199
15 HH22 ARG 1 HH22 ARG 1 8.635 -2.356 10.216
16 HA PRO 2 HA PRO 2 10.253 -0.357 0.412
17 HB2 PRO 2 HB2 PRO 2 9.272 -2.555 -0.816
18 HB3 PRO 2 HB1 PRO 2 10.813 -1.816 -1.275
19 HG2 PRO 2 HG2 PRO 2 10.292 -4.215 0.435
20 HG3 PRO 2 HG1 PRO 2 11.531 -3.976 -0.812
21 HD2 PRO 2 HD2 PRO 2 12.033 -3.749 1.859
22 HD3 PRO 2 HD1 PRO 2 12.932 -2.851 0.621
23 H PHE 3 HN PHE 3 8.125 0.023 0.610
24 HA PHE 3 HA PHE 3 6.716 -1.246 2.808
25 HB2 PHE 3 HB2 PHE 3 5.979 1.076 1.009
26 HB3 PHE 3 HB1 PHE 3 5.001 0.508 2.351
27 HD1 PHE 3 HD1 PHE 3 8.088 2.238 1.407
28 HD2 PHE 3 HD2 PHE 3 5.607 0.954 4.615
29 HE1 PHE 3 HE1 PHE 3 9.322 3.710 2.946
30 HE2 PHE 3 HE2 PHE 3 6.833 2.422 6.158
31 HZ PHE 3 HZ PHE 3 8.697 3.802 5.325
32 H NLE 4 HN NLE 4 6.023 -3.231 2.175
33 HA NLE 4 HA NLE 4 4.853 -3.505 -0.494
34 HB2 NLE 4 HB1 NLE 4 5.614 -5.673 1.466
35 HB3 NLE 4 HB2 NLE 4 6.685 -5.053 0.218
36 HG2 NLE 4 HG1 NLE 4 5.189 -5.844 -1.510
37 HG3 NLE 4 HG2 NLE 4 4.025 -6.371 -0.293
38 HD2 NLE 4 HD1 NLE 4 6.836 -7.444 -0.469
39 HD3 NLE 4 HD2 NLE 4 5.441 -8.207 -1.246
40 HE1 NLE 4 HE1 NLE 4 5.909 -9.234 0.915
41 HE2 NLE 4 HE2 NLE 4 4.347 -8.418 0.927
42 HE3 NLE 4 HE3 NLE 4 5.740 -7.667 1.705
43 H CYS 5 HN CYS 5 2.785 -3.985 -0.842
44 HA CYS 5 HA CYS 5 0.858 -3.901 1.244
45 HB2 CYS 5 HB2 CYS 5 0.235 -3.171 -0.964
46 HB3 CYS 5 HB1 CYS 5 0.683 -4.723 -1.658
47 H THR 6 HN THR 6 -0.323 -5.568 2.176
48 HA THR 6 HA THR 6 0.548 -8.303 1.565
49 HB THR 6 HB THR 6 0.334 -8.723 4.094
50 HG1 THR 6 HG1 THR 6 0.933 -6.730 5.278
51 HG21 THR 6 HG21 THR 6 2.661 -8.042 4.491
52 HG22 THR 6 HG22 THR 6 2.609 -7.040 3.042
53 HG23 THR 6 HG23 THR 6 2.467 -8.792 2.906
54 H TRP 7 HN TRP 7 -1.683 -7.452 0.436
55 HA TRP 7 HA TRP 7 -3.923 -8.195 2.169
56 HB2 TRP 7 HB2 TRP 7 -3.969 -6.096 0.729
57 HB3 TRP 7 HB1 TRP 7 -4.068 -7.165 -0.661
58 HD1 TRP 7 HD1 TRP 7 -6.367 -8.452 -1.060
59 HE1 TRP 7 HE1 TRP 7 -8.747 -8.051 -0.162
60 HE3 TRP 7 HE3 TRP 7 -5.238 -5.312 2.799
61 HZ2 TRP 7 HZ2 TRP 7 -9.978 -6.585 1.921
62 HZ3 TRP 7 HZ3 TRP 7 -7.070 -4.449 4.198
63 HH2 TRP 7 HH2 TRP 7 -9.390 -5.071 3.766
64 H ORN 8 HT1 ORN 8 -0.933 -13.448 -2.618
65 HA ORN 8 HA ORN 8 -3.159 -11.710 -1.770
66 HB2 ORN 8 HB1 ORN 8 -1.358 -10.856 -0.161
67 HB3 ORN 8 HB2 ORN 8 -0.495 -12.343 -0.521
68 HG2 ORN 8 HG1 ORN 8 -1.731 -12.601 1.520
69 HG3 ORN 8 HG2 ORN 8 -2.439 -13.629 0.273
70 HD2 ORN 8 HD1 ORN 8 -4.182 -12.512 1.554
71 HD3 ORN 8 HD2 ORN 8 -4.187 -11.959 -0.117
72 HE1 ORN 8 HE ORN 8 -3.241 -10.416 2.198
73 HT3 ORN 8 HT3 ORN 8 -2.354 -13.977 -1.872
74 H CYS 9 HN CYS 9 -3.077 -9.663 -2.413
75 HA CYS 9 HA CYS 9 -1.327 -8.789 -4.454
76 HB2 CYS 9 HB2 CYS 9 -3.512 -7.807 -4.263
77 HB3 CYS 9 HB1 CYS 9 -3.210 -7.330 -2.599
78 H GLY 10 HN GLY 10 0.681 -7.918 -4.310
79 HA2 GLY 10 HA2 GLY 10 1.562 -6.834 -1.744
80 HA3 GLY 10 HA1 GLY 10 2.415 -8.236 -2.363
81 H LYS 11 HN LYS 11 1.230 -5.195 -3.793
82 HA LYS 11 HA LYS 11 3.574 -4.852 -5.370
83 HB2 LYS 11 HB2 LYS 11 1.390 -2.909 -4.593
84 HB3 LYS 11 HB1 LYS 11 2.678 -2.533 -5.732
85 HG2 LYS 11 HG2 LYS 11 1.913 -4.393 -7.158
86 HG3 LYS 11 HG1 LYS 11 0.577 -4.667 -6.038
87 HD2 LYS 11 HD2 LYS 11 -0.250 -2.414 -6.462
88 HD3 LYS 11 HD1 LYS 11 1.094 -2.115 -7.565
89 HE2 LYS 11 HE2 LYS 11 0.301 -3.980 -8.978
90 HE3 LYS 11 HE1 LYS 11 -1.077 -4.182 -7.897
91 HZ1 LYS 11 HZ1 LYS 11 -0.464 -1.740 -9.467
92 HZ2 LYS 11 HZ2 LYS 11 -1.795 -1.947 -8.445
93 HZ3 LYS 11 HZ3 LYS 11 -1.652 -2.880 -9.846
94 H ARG 12 HN ARG 12 5.359 -3.557 -5.014
95 HA ARG 12 HA ARG 12 5.769 -2.845 -2.197
96 HB2 ARG 12 HB2 ARG 12 7.784 -3.355 -4.397
97 HB3 ARG 12 HB1 ARG 12 8.193 -2.916 -2.744
98 HG2 ARG 12 HG2 ARG 12 7.136 -4.973 -1.940
99 HG3 ARG 12 HG1 ARG 12 6.740 -5.413 -3.601
100 HD2 ARG 12 HD2 ARG 12 9.138 -5.431 -4.148
101 HD3 ARG 12 HD1 ARG 12 9.512 -5.033 -2.473
102 HE ARG 12 HE ARG 12 7.918 -7.405 -2.736
103 HH11 ARG 12 HH11 ARG 12 11.183 -6.151 -2.833
104 HH12 ARG 12 HH12 ARG 12 11.917 -7.669 -2.426
105 HH21 ARG 12 HH21 ARG 12 10.599 -9.519 -2.049
106 HH22 ARG 12 HH22 ARG 12 8.875 -9.407 -2.196
107 H PHE 13 HN PHE 13 6.252 -0.830 -1.571
108 HA PHE 13 HA PHE 13 6.401 1.241 -3.662
109 HB2 PHE 13 HB2 PHE 13 5.007 1.413 -0.984
110 HB3 PHE 13 HB1 PHE 13 5.091 2.692 -2.193
111 HD1 PHE 13 HD1 PHE 13 3.877 2.483 -4.299
112 HD2 PHE 13 HD2 PHE 13 3.506 -0.414 -1.212
113 HE1 PHE 13 HE1 PHE 13 1.853 1.599 -5.374
114 HE2 PHE 13 HE2 PHE 13 1.478 -1.300 -2.277
115 HZ PHE 13 HZ PHE 13 0.649 -0.292 -4.365
116 H THR 14 HN THR 14 7.641 3.072 -3.189
117 HA THR 14 HA THR 14 9.920 2.525 -1.524
118 HB THR 14 HB THR 14 9.363 5.124 -2.951
119 HG1 THR 14 HG1 THR 14 10.449 4.084 -4.767
120 HG21 THR 14 HG21 THR 14 11.917 3.620 -2.356
121 HG22 THR 14 HG22 THR 14 11.328 5.034 -1.485
122 HG23 THR 14 HG23 THR 14 11.802 5.176 -3.177
123 H ARG 15 HN ARG 15 6.986 4.357 -1.290
124 HA ARG 15 HA ARG 15 7.922 5.518 1.249
125 HB2 ARG 15 HB2 ARG 15 6.284 6.878 -0.898
126 HB3 ARG 15 HB1 ARG 15 6.577 7.549 0.701
127 HG2 ARG 15 HG2 ARG 15 8.924 7.715 0.274
128 HG3 ARG 15 HG1 ARG 15 8.756 6.837 -1.247
129 HD2 ARG 15 HD2 ARG 15 7.495 9.512 -0.648
130 HD3 ARG 15 HD1 ARG 15 8.990 9.279 -1.554
131 HE ARG 15 HE ARG 15 7.043 7.720 -2.779
132 HH11 ARG 15 HH11 ARG 15 7.666 11.109 -2.184
133 HH12 ARG 15 HH12 ARG 15 6.827 11.646 -3.601
134 HH21 ARG 15 HH21 ARG 15 5.929 8.413 -4.644
135 HH22 ARG 15 HH22 ARG 15 5.842 10.114 -5.005
136 H SER 16 HN SER 16 6.436 5.725 2.875
137 HA SER 16 HA SER 16 4.566 3.636 3.056
138 HB2 SER 16 HB2 SER 16 3.959 4.860 5.241
139 HB3 SER 16 HB1 SER 16 5.619 4.296 5.056
140 HG SER 16 HG SER 16 4.827 6.743 5.557
141 H ASP 17 HN ASP 17 4.181 7.075 2.400
142 HA ASP 17 HA ASP 17 1.384 7.194 2.662
143 HB2 ASP 17 HB2 ASP 17 3.318 8.852 1.053
144 HB3 ASP 17 HB1 ASP 17 1.594 9.185 1.085
145 H GLU 18 HN GLU 18 3.458 6.166 0.061
146 HA GLU 18 HA GLU 18 1.438 6.073 -1.937
147 HB2 GLU 18 HB2 GLU 18 4.057 4.575 -1.781
148 HB3 GLU 18 HB1 GLU 18 3.064 4.758 -3.220
149 HG2 GLU 18 HG2 GLU 18 3.409 7.196 -3.099
150 HG3 GLU 18 HG1 GLU 18 4.480 6.943 -1.720
151 H LEU 19 HN LEU 19 2.837 3.731 0.314
152 HA LEU 19 HA LEU 19 1.298 1.518 -0.528
153 HB2 LEU 19 HB2 LEU 19 3.202 1.138 0.865
154 HB3 LEU 19 HB1 LEU 19 2.565 2.173 2.126
155 HG LEU 19 HG LEU 19 0.735 0.544 2.514
156 HD11 LEU 19 HD11 LEU 19 2.236 -1.150 0.522
157 HD12 LEU 19 HD12 LEU 19 0.644 -0.430 0.283
158 HD13 LEU 19 HD13 LEU 19 0.873 -1.675 1.510
159 HD21 LEU 19 HD21 LEU 19 3.458 -0.742 2.660
160 HD22 LEU 19 HD22 LEU 19 2.057 -1.087 3.673
161 HD23 LEU 19 HD23 LEU 19 2.870 0.474 3.793
162 H GLN 20 HN GLN 20 0.745 3.957 1.993
163 HA GLN 20 HA GLN 20 -1.686 2.963 2.955
164 HB2 GLN 20 HB2 GLN 20 -0.375 4.747 4.053
165 HB3 GLN 20 HB1 GLN 20 -0.812 5.853 2.760
166 HG2 GLN 20 HG2 GLN 20 -2.174 6.263 4.703
167 HG3 GLN 20 HG1 GLN 20 -3.170 5.639 3.390
168 HE21 GLN 20 HE21 GLN 20 -4.759 4.972 4.845
169 HE22 GLN 20 HE22 GLN 20 -4.553 3.574 5.843
170 H ARG 21 HN ARG 21 -1.030 5.324 0.398
171 HA ARG 21 HA ARG 21 -3.629 5.864 -0.432
172 HB2 ARG 21 HB2 ARG 21 -1.703 7.073 -1.304
173 HB3 ARG 21 HB1 ARG 21 -1.098 5.613 -2.067
174 HG2 ARG 21 HG2 ARG 21 -3.066 5.582 -3.532
175 HG3 ARG 21 HG1 ARG 21 -3.621 7.087 -2.793
176 HD2 ARG 21 HD2 ARG 21 -1.661 8.248 -3.573
177 HD3 ARG 21 HD1 ARG 21 -0.961 6.746 -4.168
178 HE ARG 21 HE ARG 21 -3.506 7.625 -5.304
179 HH11 ARG 21 HH11 ARG 21 -0.050 7.235 -5.640
180 HH12 ARG 21 HH12 ARG 21 -0.066 7.382 -7.367
181 HH21 ARG 21 HH21 ARG 21 -3.540 7.835 -7.579
182 HH22 ARG 21 HH22 ARG 21 -2.057 7.730 -8.472
183 H HIS 22 HN HIS 22 -1.407 3.333 -1.546
184 HA HIS 22 HA HIS 22 -3.116 2.101 -3.368
185 HB2 HIS 22 HB2 HIS 22 -0.802 1.543 -3.430
186 HB3 HIS 22 HB1 HIS 22 -0.800 1.058 -1.738
187 HD1 HIS 22 HD1 HIS 22 -1.640 -0.227 -5.175
188 HD2 HIS 22 HD2 HIS 22 -1.815 -1.466 -1.196
189 HE1 HIS 22 HE1 HIS 22 -2.259 -2.701 -5.202
190 H LYS 23 HN LYS 23 -2.592 1.434 0.081
191 HA LYS 23 HA LYS 23 -4.225 -0.819 0.276
192 HB2 LYS 23 HB2 LYS 23 -3.489 1.265 2.318
193 HB3 LYS 23 HB1 LYS 23 -4.422 -0.168 2.718
194 HG2 LYS 23 HG2 LYS 23 -1.630 -0.141 1.590
195 HG3 LYS 23 HG1 LYS 23 -2.068 -0.447 3.270
196 HD2 LYS 23 HD2 LYS 23 -2.797 -2.135 0.876
197 HD3 LYS 23 HD1 LYS 23 -1.631 -2.539 2.135
198 HE2 LYS 23 HE2 LYS 23 -4.612 -2.210 2.475
199 HE3 LYS 23 HE1 LYS 23 -3.705 -3.721 2.520
200 HZ1 LYS 23 HZ1 LYS 23 -3.474 -1.483 4.456
201 HZ2 LYS 23 HZ2 LYS 23 -2.530 -2.884 4.482
202 HZ3 LYS 23 HZ3 LYS 23 -4.195 -2.986 4.743
203 H ARG 24 HN ARG 24 -5.055 2.556 0.139
204 HA ARG 24 HA ARG 24 -7.656 2.264 1.252
205 HB2 ARG 24 HB2 ARG 24 -6.464 4.440 -0.460
206 HB3 ARG 24 HB1 ARG 24 -8.078 4.520 0.236
207 HG2 ARG 24 HG2 ARG 24 -7.041 4.238 2.487
208 HG3 ARG 24 HG1 ARG 24 -5.462 4.376 1.715
209 HD2 ARG 24 HD2 ARG 24 -7.642 6.461 1.684
210 HD3 ARG 24 HD1 ARG 24 -6.181 6.507 2.665
211 HE ARG 24 HE ARG 24 -6.140 6.581 -0.283
212 HH11 ARG 24 HH11 ARG 24 -3.867 8.844 2.137
213 HH12 ARG 24 HH12 ARG 24 -4.955 7.687 2.831
214 HH21 ARG 24 HH21 ARG 24 -3.720 9.080 -0.142
215 HH22 ARG 24 HH22 ARG 24 -4.720 8.110 -1.180
216 H THR 25 HN THR 25 -6.415 1.189 -1.664
217 HA THR 25 HA THR 25 -8.897 1.352 -3.123
218 HB THR 25 HB THR 25 -7.867 -0.097 -4.780
219 HG1 THR 25 HG1 THR 25 -5.544 -0.219 -3.138
220 HG21 THR 25 HG21 THR 25 -5.947 1.290 -5.408
221 HG22 THR 25 HG22 THR 25 -5.934 2.000 -3.794
222 HG23 THR 25 HG23 THR 25 -7.305 2.276 -4.866
223 H HIS 26 HN HIS 26 -7.241 -0.925 -1.034
224 HA HIS 26 HA HIS 26 -9.084 -3.079 -1.513
225 HB2 HIS 26 HB2 HIS 26 -7.038 -2.673 0.677
226 HB3 HIS 26 HB1 HIS 26 -7.976 -4.141 0.454
227 HD1 HIS 26 HD1 HIS 26 -7.549 -5.214 -2.167
228 HD2 HIS 26 HD2 HIS 26 -4.619 -2.833 -0.392
229 HE1 HIS 26 HE1 HIS 26 -5.351 -5.775 -3.329
230 H THR 27 HN THR 27 -8.599 -0.601 0.940
231 HA THR 27 HA THR 27 -10.843 -1.543 2.509
232 HB THR 27 HB THR 27 -10.345 0.471 3.927
233 HG1 THR 27 HG1 THR 27 -9.341 1.843 2.501
234 HG21 THR 27 HG21 THR 27 -8.045 -1.411 3.381
235 HG22 THR 27 HG22 THR 27 -9.393 -1.706 4.478
236 HG23 THR 27 HG23 THR 27 -8.234 -0.424 4.830
237 H GLY 28 HN GLY 28 -11.803 -1.049 0.090
238 HA2 GLY 28 HA2 GLY 28 -12.813 1.639 -0.163
239 HA3 GLY 28 HA1 GLY 28 -13.252 0.259 -1.160
240 H GLU 29 HN GLU 29 -14.742 2.422 0.498
241 HA GLU 29 HA GLU 29 -16.160 1.021 2.515
242 HB2 GLU 29 HB2 GLU 29 -15.899 3.554 2.241
243 HB3 GLU 29 HB1 GLU 29 -17.166 3.447 1.027
244 HG2 GLU 29 HG2 GLU 29 -18.123 4.109 3.118
245 HG3 GLU 29 HG1 GLU 29 -18.668 2.479 2.721
246 H LYS 30 HN LYS 30 -17.018 1.976 -0.798
247 HA LYS 30 HA LYS 30 -19.025 -0.177 -0.792
248 HB2 LYS 30 HB2 LYS 30 -19.154 2.538 -2.111
249 HB3 LYS 30 HB1 LYS 30 -20.255 1.222 -2.500
250 HG2 LYS 30 HG2 LYS 30 -21.064 1.194 -0.210
251 HG3 LYS 30 HG1 LYS 30 -19.921 2.466 0.223
252 HD2 LYS 30 HD2 LYS 30 -21.015 4.007 -1.299
253 HD3 LYS 30 HD1 LYS 30 -22.122 2.736 -1.823
254 HE2 LYS 30 HE2 LYS 30 -23.071 2.595 0.393
255 HE3 LYS 30 HE1 LYS 30 -21.901 3.762 1.003
256 HZ1 LYS 30 HZ1 LYS 30 -23.999 4.308 -1.025
257 HZ2 LYS 30 HZ2 LYS 30 -22.868 5.429 -0.462
258 HZ3 LYS 30 HZ3 LYS 30 -24.029 4.800 0.591
259 HN1 NH2 31 HN1 NH2 31 -17.405 -1.569 -1.577
260 HN2 NH2 31 HN2 NH2 31 -16.879 -1.499 -3.221
Start of MODEL 5
1 H1 ARG 1 HT1 ARG 1 14.239 -0.347 4.998
2 H2 ARG 1 HT2 ARG 1 12.925 0.660 4.655
3 H3 ARG 1 HT3 ARG 1 14.074 0.339 3.461
4 HA ARG 1 HA ARG 1 13.437 -1.941 3.349
5 HB2 ARG 1 HB2 ARG 1 11.641 -2.839 4.692
6 HB3 ARG 1 HB1 ARG 1 12.817 -2.112 5.778
7 HG2 ARG 1 HG2 ARG 1 11.425 -0.189 6.100
8 HG3 ARG 1 HG1 ARG 1 10.296 -0.744 4.863
9 HD2 ARG 1 HD2 ARG 1 9.371 -1.219 7.031
10 HD3 ARG 1 HD1 ARG 1 9.819 -2.738 6.257
11 HE ARG 1 HE ARG 1 11.908 -1.738 7.917
12 HH11 ARG 1 HH11 ARG 1 9.187 -4.251 9.472
13 HH12 ARG 1 HH12 ARG 1 8.864 -3.459 7.964
14 HH21 ARG 1 HH21 ARG 1 12.344 -2.782 9.900
15 HH22 ARG 1 HH22 ARG 1 11.171 -3.871 10.572
16 HA PRO 2 HA PRO 2 10.332 -0.388 0.531
17 HB2 PRO 2 HB2 PRO 2 9.512 -2.699 -0.585
18 HB3 PRO 2 HB1 PRO 2 11.088 -1.983 -0.956
19 HG2 PRO 2 HG2 PRO 2 10.415 -4.222 0.906
20 HG3 PRO 2 HG1 PRO 2 11.768 -4.080 -0.230
21 HD2 PRO 2 HD2 PRO 2 11.991 -3.594 2.453
22 HD3 PRO 2 HD1 PRO 2 13.020 -2.820 1.231
23 H PHE 3 HN PHE 3 8.144 -0.130 0.493
24 HA PHE 3 HA PHE 3 6.699 -1.254 2.764
25 HB2 PHE 3 HB2 PHE 3 6.021 1.031 0.897
26 HB3 PHE 3 HB1 PHE 3 5.057 0.542 2.284
27 HD1 PHE 3 HD1 PHE 3 7.987 2.331 1.155
28 HD2 PHE 3 HD2 PHE 3 5.935 0.824 4.560
29 HE1 PHE 3 HE1 PHE 3 9.334 3.787 2.604
30 HE2 PHE 3 HE2 PHE 3 7.276 2.280 6.019
31 HZ PHE 3 HZ PHE 3 8.982 3.767 5.041
32 H NLE 4 HN NLE 4 6.063 -3.250 2.139
33 HA NLE 4 HA NLE 4 4.850 -3.574 -0.507
34 HB2 NLE 4 HB1 NLE 4 5.826 -5.666 1.447
35 HB3 NLE 4 HB2 NLE 4 6.750 -5.044 0.090
36 HG2 NLE 4 HG1 NLE 4 5.077 -5.949 -1.456
37 HG3 NLE 4 HG2 NLE 4 4.174 -6.595 -0.084
38 HD2 NLE 4 HD1 NLE 4 6.097 -7.992 0.526
39 HD3 NLE 4 HD2 NLE 4 7.002 -7.340 -0.850
40 HE1 NLE 4 HE1 NLE 4 4.433 -8.910 -1.001
41 HE2 NLE 4 HE2 NLE 4 6.042 -9.509 -1.401
42 HE3 NLE 4 HE3 NLE 4 5.308 -8.236 -2.376
43 H CYS 5 HN CYS 5 2.781 -4.068 -0.778
44 HA CYS 5 HA CYS 5 0.930 -3.981 1.368
45 HB2 CYS 5 HB2 CYS 5 0.237 -3.256 -0.825
46 HB3 CYS 5 HB1 CYS 5 0.626 -4.823 -1.519
47 H THR 6 HN THR 6 -0.386 -5.649 2.193
48 HA THR 6 HA THR 6 0.532 -8.388 1.731
49 HB THR 6 HB THR 6 0.323 -8.690 4.291
50 HG1 THR 6 HG1 THR 6 -0.094 -6.909 5.343
51 HG21 THR 6 HG21 THR 6 2.639 -7.144 3.122
52 HG22 THR 6 HG22 THR 6 2.442 -8.897 3.106
53 HG23 THR 6 HG23 THR 6 2.675 -8.048 4.636
54 H TRP 7 HN TRP 7 -1.712 -7.669 0.587
55 HA TRP 7 HA TRP 7 -3.893 -8.364 2.429
56 HB2 TRP 7 HB2 TRP 7 -4.010 -6.211 1.083
57 HB3 TRP 7 HB1 TRP 7 -4.175 -7.219 -0.348
58 HD1 TRP 7 HD1 TRP 7 -6.488 -8.509 -0.686
59 HE1 TRP 7 HE1 TRP 7 -8.819 -8.175 0.356
60 HE3 TRP 7 HE3 TRP 7 -5.185 -5.524 3.246
61 HZ2 TRP 7 HZ2 TRP 7 -9.954 -6.813 2.557
62 HZ3 TRP 7 HZ3 TRP 7 -6.949 -4.744 4.775
63 HH2 TRP 7 HH2 TRP 7 -9.284 -5.376 4.435
64 H ORN 8 HT1 ORN 8 -2.398 -14.078 -1.838
65 HA ORN 8 HA ORN 8 -3.256 -11.832 -1.662
66 HB2 ORN 8 HB1 ORN 8 -1.482 -11.018 0.026
67 HB3 ORN 8 HB2 ORN 8 -0.636 -12.511 -0.351
68 HG2 ORN 8 HG1 ORN 8 -1.925 -12.842 1.628
69 HG3 ORN 8 HG2 ORN 8 -2.664 -13.770 0.321
70 HD2 ORN 8 HD1 ORN 8 -4.362 -12.623 1.657
71 HD3 ORN 8 HD2 ORN 8 -4.337 -12.016 0.004
72 HE1 ORN 8 HE ORN 8 -3.317 -10.593 2.367
73 HT3 ORN 8 HT3 ORN 8 -2.448 -13.304 -3.339
74 H CYS 9 HN CYS 9 -3.137 -9.727 -2.109
75 HA CYS 9 HA CYS 9 -1.483 -8.799 -4.208
76 HB2 CYS 9 HB2 CYS 9 -3.691 -7.876 -3.881
77 HB3 CYS 9 HB1 CYS 9 -3.286 -7.378 -2.244
78 H GLY 10 HN GLY 10 0.439 -7.687 -4.153
79 HA2 GLY 10 HA2 GLY 10 1.453 -6.663 -1.641
80 HA3 GLY 10 HA1 GLY 10 2.273 -8.089 -2.244
81 H LYS 11 HN LYS 11 1.162 -4.949 -3.548
82 HA LYS 11 HA LYS 11 3.433 -4.693 -5.262
83 HB2 LYS 11 HB2 LYS 11 1.376 -2.703 -4.300
84 HB3 LYS 11 HB1 LYS 11 2.665 -2.282 -5.420
85 HG2 LYS 11 HG2 LYS 11 1.810 -3.933 -7.010
86 HG3 LYS 11 HG1 LYS 11 0.511 -4.332 -5.883
87 HD2 LYS 11 HD2 LYS 11 -0.333 -2.808 -7.548
88 HD3 LYS 11 HD1 LYS 11 -0.251 -1.979 -5.995
89 HE2 LYS 11 HE2 LYS 11 1.842 -0.918 -6.667
90 HE3 LYS 11 HE1 LYS 11 1.784 -1.764 -8.211
91 HZ1 LYS 11 HZ1 LYS 11 0.976 0.457 -8.489
92 HZ2 LYS 11 HZ2 LYS 11 -0.139 0.272 -7.237
93 HZ3 LYS 11 HZ3 LYS 11 -0.326 -0.606 -8.666
94 H ARG 12 HN ARG 12 5.270 -3.389 -4.990
95 HA ARG 12 HA ARG 12 5.898 -2.800 -2.175
96 HB2 ARG 12 HB2 ARG 12 7.792 -3.245 -4.492
97 HB3 ARG 12 HB1 ARG 12 8.257 -2.991 -2.817
98 HG2 ARG 12 HG2 ARG 12 7.141 -5.082 -2.197
99 HG3 ARG 12 HG1 ARG 12 6.705 -5.340 -3.886
100 HD2 ARG 12 HD2 ARG 12 9.512 -5.134 -2.797
101 HD3 ARG 12 HD1 ARG 12 8.698 -6.624 -3.269
102 HE ARG 12 HE ARG 12 8.569 -5.173 -5.529
103 HH11 ARG 12 HH11 ARG 12 11.234 -5.896 -3.376
104 HH12 ARG 12 HH12 ARG 12 12.428 -5.841 -4.633
105 HH21 ARG 12 HH21 ARG 12 11.804 -5.369 -6.800
106 HH22 ARG 12 HH22 ARG 12 10.134 -5.081 -7.176
107 H PHE 13 HN PHE 13 6.058 -0.762 -1.580
108 HA PHE 13 HA PHE 13 6.433 1.291 -3.660
109 HB2 PHE 13 HB2 PHE 13 4.996 1.508 -1.004
110 HB3 PHE 13 HB1 PHE 13 5.153 2.792 -2.202
111 HD1 PHE 13 HD1 PHE 13 3.861 2.778 -4.216
112 HD2 PHE 13 HD2 PHE 13 3.533 -0.384 -1.395
113 HE1 PHE 13 HE1 PHE 13 1.799 2.019 -5.315
114 HE2 PHE 13 HE2 PHE 13 1.470 -1.149 -2.486
115 HZ PHE 13 HZ PHE 13 0.646 -0.016 -4.480
116 H THR 14 HN THR 14 7.741 3.095 -3.157
117 HA THR 14 HA THR 14 9.811 2.521 -1.182
118 HB THR 14 HB THR 14 9.744 4.829 -3.130
119 HG1 THR 14 HG1 THR 14 9.954 2.161 -3.641
120 HG21 THR 14 HG21 THR 14 11.419 4.918 -1.316
121 HG22 THR 14 HG22 THR 14 12.166 4.752 -2.905
122 HG23 THR 14 HG23 THR 14 12.044 3.353 -1.838
123 H ARG 15 HN ARG 15 6.922 4.123 -1.327
124 HA ARG 15 HA ARG 15 7.678 5.861 0.916
125 HB2 ARG 15 HB2 ARG 15 5.752 6.523 -1.321
126 HB3 ARG 15 HB1 ARG 15 5.978 7.500 0.120
127 HG2 ARG 15 HG2 ARG 15 8.371 7.778 -0.540
128 HG3 ARG 15 HG1 ARG 15 7.982 6.968 -2.059
129 HD2 ARG 15 HD2 ARG 15 7.916 9.382 -2.338
130 HD3 ARG 15 HD1 ARG 15 6.310 8.690 -2.544
131 HE ARG 15 HE ARG 15 7.111 9.862 0.031
132 HH11 ARG 15 HH11 ARG 15 5.037 9.876 -2.790
133 HH12 ARG 15 HH12 ARG 15 3.873 10.953 -2.091
134 HH21 ARG 15 HH21 ARG 15 5.588 11.301 0.954
135 HH22 ARG 15 HH22 ARG 15 4.191 11.768 0.038
136 H SER 16 HN SER 16 6.477 5.647 2.676
137 HA SER 16 HA SER 16 4.633 3.542 2.941
138 HB2 SER 16 HB2 SER 16 4.186 4.733 5.199
139 HB3 SER 16 HB1 SER 16 5.808 4.116 4.892
140 HG SER 16 HG SER 16 5.091 6.597 5.460
141 H ASP 17 HN ASP 17 4.258 6.977 2.385
142 HA ASP 17 HA ASP 17 1.474 7.140 2.803
143 HB2 ASP 17 HB2 ASP 17 3.269 8.784 1.010
144 HB3 ASP 17 HB1 ASP 17 1.596 9.177 1.366
145 H GLU 18 HN GLU 18 3.411 6.133 0.082
146 HA GLU 18 HA GLU 18 1.230 6.085 -1.763
147 HB2 GLU 18 HB2 GLU 18 4.017 4.951 -1.878
148 HB3 GLU 18 HB1 GLU 18 2.858 4.794 -3.192
149 HG2 GLU 18 HG2 GLU 18 3.914 7.368 -2.049
150 HG3 GLU 18 HG1 GLU 18 4.371 6.635 -3.589
151 H LEU 19 HN LEU 19 2.774 3.781 0.395
152 HA LEU 19 HA LEU 19 1.342 1.517 -0.538
153 HB2 LEU 19 HB2 LEU 19 3.291 1.187 0.831
154 HB3 LEU 19 HB1 LEU 19 2.582 2.102 2.147
155 HG LEU 19 HG LEU 19 0.865 0.359 2.438
156 HD11 LEU 19 HD11 LEU 19 2.408 -1.118 0.313
157 HD12 LEU 19 HD12 LEU 19 0.775 -0.468 0.153
158 HD13 LEU 19 HD13 LEU 19 1.096 -1.781 1.284
159 HD21 LEU 19 HD21 LEU 19 3.046 0.312 3.660
160 HD22 LEU 19 HD22 LEU 19 3.623 -0.849 2.461
161 HD23 LEU 19 HD23 LEU 19 2.256 -1.255 3.497
162 H GLN 20 HN GLN 20 0.692 3.867 2.059
163 HA GLN 20 HA GLN 20 -1.762 2.725 2.872
164 HB2 GLN 20 HB2 GLN 20 -0.819 5.594 3.010
165 HB3 GLN 20 HB1 GLN 20 -2.255 4.979 3.817
166 HG2 GLN 20 HG2 GLN 20 -0.859 3.453 5.125
167 HG3 GLN 20 HG1 GLN 20 0.578 4.096 4.327
168 HE21 GLN 20 HE21 GLN 20 1.224 6.215 4.771
169 HE22 GLN 20 HE22 GLN 20 0.696 7.047 6.191
170 H ARG 21 HN ARG 21 -0.966 5.250 0.543
171 HA ARG 21 HA ARG 21 -3.446 5.913 -0.464
172 HB2 ARG 21 HB2 ARG 21 -1.327 6.958 -1.150
173 HB3 ARG 21 HB1 ARG 21 -0.861 5.484 -1.977
174 HG2 ARG 21 HG2 ARG 21 -2.771 5.782 -3.511
175 HG3 ARG 21 HG1 ARG 21 -3.132 7.316 -2.710
176 HD2 ARG 21 HD2 ARG 21 -0.892 8.135 -3.293
177 HD3 ARG 21 HD1 ARG 21 -0.552 6.611 -4.105
178 HE ARG 21 HE ARG 21 -2.894 7.809 -5.161
179 HH11 ARG 21 HH11 ARG 21 0.614 8.031 -5.220
180 HH12 ARG 21 HH12 ARG 21 0.648 8.822 -6.770
181 HH21 ARG 21 HH21 ARG 21 -2.825 8.839 -7.205
182 HH22 ARG 21 HH22 ARG 21 -1.293 9.277 -7.892
183 H HIS 22 HN HIS 22 -1.298 3.305 -1.533
184 HA HIS 22 HA HIS 22 -2.971 2.101 -3.389
185 HB2 HIS 22 HB2 HIS 22 -0.703 1.410 -3.327
186 HB3 HIS 22 HB1 HIS 22 -0.790 1.007 -1.616
187 HD1 HIS 22 HD1 HIS 22 -1.686 -0.362 -5.020
188 HD2 HIS 22 HD2 HIS 22 -1.837 -1.475 -1.003
189 HE1 HIS 22 HE1 HIS 22 -2.356 -2.819 -4.964
190 H LYS 23 HN LYS 23 -2.609 1.416 0.077
191 HA LYS 23 HA LYS 23 -4.364 -0.755 0.148
192 HB2 LYS 23 HB2 LYS 23 -3.468 1.145 2.296
193 HB3 LYS 23 HB1 LYS 23 -4.519 -0.226 2.622
194 HG2 LYS 23 HG2 LYS 23 -2.787 -1.736 1.740
195 HG3 LYS 23 HG1 LYS 23 -1.729 -0.344 1.497
196 HD2 LYS 23 HD2 LYS 23 -1.729 0.118 3.863
197 HD3 LYS 23 HD1 LYS 23 -2.896 -1.174 4.147
198 HE2 LYS 23 HE2 LYS 23 -1.275 -2.822 3.368
199 HE3 LYS 23 HE1 LYS 23 -0.112 -1.535 3.050
200 HZ1 LYS 23 HZ1 LYS 23 -0.047 -1.030 5.390
201 HZ2 LYS 23 HZ2 LYS 23 0.294 -2.669 5.165
202 HZ3 LYS 23 HZ3 LYS 23 -1.228 -2.191 5.721
203 H ARG 24 HN ARG 24 -5.040 2.612 -0.074
204 HA ARG 24 HA ARG 24 -7.625 2.613 1.060
205 HB2 ARG 24 HB2 ARG 24 -6.453 4.332 -1.131
206 HB3 ARG 24 HB1 ARG 24 -8.018 4.624 -0.388
207 HG2 ARG 24 HG2 ARG 24 -6.848 4.809 1.811
208 HG3 ARG 24 HG1 ARG 24 -5.321 4.729 0.935
209 HD2 ARG 24 HD2 ARG 24 -5.783 7.031 1.299
210 HD3 ARG 24 HD1 ARG 24 -6.107 6.710 -0.404
211 HE ARG 24 HE ARG 24 -8.515 6.376 0.895
212 HH11 ARG 24 HH11 ARG 24 -7.393 10.224 0.594
213 HH12 ARG 24 HH12 ARG 24 -6.212 8.965 0.447
214 HH21 ARG 24 HH21 ARG 24 -9.602 9.688 0.958
215 HH22 ARG 24 HH22 ARG 24 -10.085 8.026 1.079
216 H THR 25 HN THR 25 -6.443 1.182 -1.821
217 HA THR 25 HA THR 25 -8.981 1.087 -3.168
218 HB THR 25 HB THR 25 -7.923 -0.536 -4.683
219 HG1 THR 25 HG1 THR 25 -5.596 -0.246 -3.048
220 HG21 THR 25 HG21 THR 25 -6.171 0.938 -5.575
221 HG22 THR 25 HG22 THR 25 -6.192 1.857 -4.071
222 HG23 THR 25 HG23 THR 25 -7.615 1.837 -5.113
223 H HIS 26 HN HIS 26 -7.337 -0.779 -0.758
224 HA HIS 26 HA HIS 26 -9.150 -3.028 -1.015
225 HB2 HIS 26 HB2 HIS 26 -6.996 -2.463 1.037
226 HB3 HIS 26 HB1 HIS 26 -7.942 -3.941 0.957
227 HD1 HIS 26 HD1 HIS 26 -7.656 -5.128 -1.661
228 HD2 HIS 26 HD2 HIS 26 -4.605 -2.769 -0.073
229 HE1 HIS 26 HE1 HIS 26 -5.515 -5.777 -2.890
230 H THR 27 HN THR 27 -8.330 -0.628 1.493
231 HA THR 27 HA THR 27 -10.707 -1.263 2.995
232 HB THR 27 HB THR 27 -9.962 0.704 4.414
233 HG1 THR 27 HG1 THR 27 -8.715 1.737 2.759
234 HG21 THR 27 HG21 THR 27 -9.402 -1.600 5.005
235 HG22 THR 27 HG22 THR 27 -8.068 -0.515 5.399
236 HG23 THR 27 HG23 THR 27 -7.983 -1.534 3.962
237 H GLY 28 HN GLY 28 -12.560 -0.686 2.040
238 HA2 GLY 28 HA2 GLY 28 -14.169 1.094 1.798
239 HA3 GLY 28 HA1 GLY 28 -12.860 2.145 1.270
240 H GLU 29 HN GLU 29 -11.845 -0.238 -0.318
241 HA GLU 29 HA GLU 29 -11.908 -1.010 -2.448
242 HB2 GLU 29 HB2 GLU 29 -13.987 -2.075 -1.507
243 HB3 GLU 29 HB1 GLU 29 -14.909 -0.746 -2.191
244 HG2 GLU 29 HG2 GLU 29 -14.266 -1.387 -4.421
245 HG3 GLU 29 HG1 GLU 29 -13.211 -2.649 -3.788
246 H LYS 30 HN LYS 30 -11.664 1.830 -2.028
247 HA LYS 30 HA LYS 30 -12.996 2.869 -4.434
248 HB2 LYS 30 HB2 LYS 30 -13.537 4.071 -2.346
249 HB3 LYS 30 HB1 LYS 30 -11.831 4.402 -2.103
250 HG2 LYS 30 HG2 LYS 30 -11.805 5.708 -4.184
251 HG3 LYS 30 HG1 LYS 30 -13.535 5.412 -4.365
252 HD2 LYS 30 HD2 LYS 30 -13.992 6.584 -2.299
253 HD3 LYS 30 HD1 LYS 30 -12.266 6.793 -2.003
254 HE2 LYS 30 HE2 LYS 30 -12.108 8.123 -4.077
255 HE3 LYS 30 HE1 LYS 30 -13.850 7.969 -4.280
256 HZ1 LYS 30 HZ1 LYS 30 -12.510 9.252 -1.966
257 HZ2 LYS 30 HZ2 LYS 30 -14.177 9.149 -2.217
258 HZ3 LYS 30 HZ3 LYS 30 -13.223 10.075 -3.258
259 HN1 NH2 31 HN1 NH2 31 -10.117 4.014 -2.740
260 HN2 NH2 31 HN2 NH2 31 -9.050 3.887 -4.094
Start of MODEL 6
1 H1 ARG 1 HT1 ARG 1 15.249 -1.450 3.660
2 H2 ARG 1 HT2 ARG 1 14.177 -0.148 3.779
3 H3 ARG 1 HT3 ARG 1 14.734 -0.644 2.266
4 HA ARG 1 HA ARG 1 13.600 -2.740 2.477
5 HB2 ARG 1 HB2 ARG 1 12.562 -1.565 5.069
6 HB3 ARG 1 HB1 ARG 1 12.007 -3.063 4.340
7 HG2 ARG 1 HG2 ARG 1 14.214 -4.044 4.641
8 HG3 ARG 1 HG1 ARG 1 14.796 -2.535 5.348
9 HD2 ARG 1 HD2 ARG 1 13.111 -2.767 7.145
10 HD3 ARG 1 HD1 ARG 1 12.609 -4.306 6.449
11 HE ARG 1 HE ARG 1 15.328 -4.508 6.884
12 HH11 ARG 1 HH11 ARG 1 13.131 -4.713 10.246
13 HH12 ARG 1 HH12 ARG 1 12.469 -3.966 8.828
14 HH21 ARG 1 HH21 ARG 1 16.207 -5.508 8.748
15 HH22 ARG 1 HH22 ARG 1 15.262 -5.591 10.199
16 HA PRO 2 HA PRO 2 10.503 -0.222 0.482
17 HB2 PRO 2 HB2 PRO 2 9.252 -2.156 -0.893
18 HB3 PRO 2 HB1 PRO 2 10.884 -1.619 -1.331
19 HG2 PRO 2 HG2 PRO 2 10.040 -4.030 0.235
20 HG3 PRO 2 HG1 PRO 2 11.264 -3.901 -1.041
21 HD2 PRO 2 HD2 PRO 2 11.857 -3.909 1.633
22 HD3 PRO 2 HD1 PRO 2 12.865 -3.112 0.409
23 H PHE 3 HN PHE 3 8.198 -0.036 0.414
24 HA PHE 3 HA PHE 3 6.876 -1.194 2.750
25 HB2 PHE 3 HB2 PHE 3 6.092 1.105 0.940
26 HB3 PHE 3 HB1 PHE 3 5.163 0.559 2.326
27 HD1 PHE 3 HD1 PHE 3 8.093 2.401 1.215
28 HD2 PHE 3 HD2 PHE 3 5.966 0.915 4.586
29 HE1 PHE 3 HE1 PHE 3 9.386 3.894 2.682
30 HE2 PHE 3 HE2 PHE 3 7.253 2.403 6.062
31 HZ PHE 3 HZ PHE 3 8.967 3.897 5.111
32 H NLE 4 HN NLE 4 6.317 -3.213 2.053
33 HA NLE 4 HA NLE 4 4.966 -3.497 -0.521
34 HB2 NLE 4 HB1 NLE 4 5.932 -5.600 1.425
35 HB3 NLE 4 HB2 NLE 4 6.827 -5.033 0.026
36 HG2 NLE 4 HG1 NLE 4 5.082 -5.910 -1.447
37 HG3 NLE 4 HG2 NLE 4 4.183 -6.476 -0.035
38 HD2 NLE 4 HD1 NLE 4 6.063 -7.936 0.572
39 HD3 NLE 4 HD2 NLE 4 6.939 -7.386 -0.865
40 HE1 NLE 4 HE1 NLE 4 5.152 -8.258 -2.288
41 HE2 NLE 4 HE2 NLE 4 4.286 -8.815 -0.855
42 HE3 NLE 4 HE3 NLE 4 5.843 -9.526 -1.275
43 H CYS 5 HN CYS 5 2.863 -3.918 -0.732
44 HA CYS 5 HA CYS 5 1.070 -3.820 1.452
45 HB2 CYS 5 HB2 CYS 5 0.378 -3.179 -0.799
46 HB3 CYS 5 HB1 CYS 5 0.670 -4.812 -1.377
47 H THR 6 HN THR 6 0.138 -5.431 2.650
48 HA THR 6 HA THR 6 1.027 -8.176 2.066
49 HB THR 6 HB THR 6 0.872 -8.525 4.589
50 HG1 THR 6 HG1 THR 6 1.195 -5.699 4.682
51 HG21 THR 6 HG21 THR 6 3.014 -8.410 3.421
52 HG22 THR 6 HG22 THR 6 3.120 -7.612 4.991
53 HG23 THR 6 HG23 THR 6 2.986 -6.649 3.519
54 H TRP 7 HN TRP 7 -1.388 -7.031 1.109
55 HA TRP 7 HA TRP 7 -3.509 -7.940 2.865
56 HB2 TRP 7 HB2 TRP 7 -3.572 -5.860 1.333
57 HB3 TRP 7 HB1 TRP 7 -3.866 -7.003 0.030
58 HD1 TRP 7 HD1 TRP 7 -6.188 -8.446 0.200
59 HE1 TRP 7 HE1 TRP 7 -8.449 -7.823 1.269
60 HE3 TRP 7 HE3 TRP 7 -4.628 -4.602 3.165
61 HZ2 TRP 7 HZ2 TRP 7 -9.433 -5.932 3.129
62 HZ3 TRP 7 HZ3 TRP 7 -6.285 -3.430 4.555
63 HH2 TRP 7 HH2 TRP 7 -8.636 -4.081 4.537
64 H ORN 8 HT1 ORN 8 -1.894 -14.019 -1.078
65 HA ORN 8 HA ORN 8 -2.970 -11.855 -1.144
66 HB2 ORN 8 HB1 ORN 8 -1.208 -10.671 0.336
67 HB3 ORN 8 HB2 ORN 8 -0.253 -12.130 0.117
68 HG2 ORN 8 HG1 ORN 8 -1.405 -12.345 2.170
69 HG3 ORN 8 HG2 ORN 8 -2.192 -13.427 1.021
70 HD2 ORN 8 HD1 ORN 8 -3.873 -12.257 2.306
71 HD3 ORN 8 HD2 ORN 8 -3.926 -11.716 0.632
72 HE1 ORN 8 HE ORN 8 -2.904 -10.169 2.908
73 HT3 ORN 8 HT3 ORN 8 -2.075 -13.451 -2.659
74 H CYS 9 HN CYS 9 -2.937 -9.694 -1.688
75 HA CYS 9 HA CYS 9 -1.474 -8.869 -3.966
76 HB2 CYS 9 HB2 CYS 9 -3.605 -7.853 -3.479
77 HB3 CYS 9 HB1 CYS 9 -3.051 -7.346 -1.889
78 H GLY 10 HN GLY 10 0.564 -8.059 -4.091
79 HA2 GLY 10 HA2 GLY 10 1.799 -7.023 -1.647
80 HA3 GLY 10 HA1 GLY 10 2.543 -8.398 -2.441
81 H LYS 11 HN LYS 11 1.234 -5.243 -3.462
82 HA LYS 11 HA LYS 11 3.394 -4.840 -5.312
83 HB2 LYS 11 HB2 LYS 11 1.266 -2.958 -4.274
84 HB3 LYS 11 HB1 LYS 11 2.416 -2.553 -5.541
85 HG2 LYS 11 HG2 LYS 11 1.503 -4.288 -6.963
86 HG3 LYS 11 HG1 LYS 11 0.390 -4.776 -5.683
87 HD2 LYS 11 HD2 LYS 11 -0.653 -2.565 -5.752
88 HD3 LYS 11 HD1 LYS 11 0.454 -2.080 -7.036
89 HE2 LYS 11 HE2 LYS 11 -1.493 -4.374 -7.225
90 HE3 LYS 11 HE1 LYS 11 -1.795 -2.755 -7.851
91 HZ1 LYS 11 HZ1 LYS 11 0.422 -4.533 -8.707
92 HZ2 LYS 11 HZ2 LYS 11 0.086 -3.001 -9.328
93 HZ3 LYS 11 HZ3 LYS 11 -1.005 -4.269 -9.569
94 H ARG 12 HN ARG 12 5.235 -3.656 -5.012
95 HA ARG 12 HA ARG 12 5.807 -2.869 -2.249
96 HB2 ARG 12 HB2 ARG 12 7.648 -3.412 -4.586
97 HB3 ARG 12 HB1 ARG 12 8.191 -2.887 -2.998
98 HG2 ARG 12 HG2 ARG 12 7.347 -4.914 -1.997
99 HG3 ARG 12 HG1 ARG 12 6.669 -5.428 -3.541
100 HD2 ARG 12 HD2 ARG 12 8.878 -5.597 -4.498
101 HD3 ARG 12 HD1 ARG 12 9.603 -4.953 -3.026
102 HE ARG 12 HE ARG 12 8.760 -7.003 -1.907
103 HH11 ARG 12 HH11 ARG 12 9.232 -7.012 -5.384
104 HH12 ARG 12 HH12 ARG 12 9.512 -8.720 -5.464
105 HH21 ARG 12 HH21 ARG 12 9.443 -9.992 -3.560
106 HH22 ARG 12 HH22 ARG 12 9.116 -9.254 -2.025
107 H PHE 13 HN PHE 13 6.179 -0.838 -1.668
108 HA PHE 13 HA PHE 13 6.370 1.213 -3.777
109 HB2 PHE 13 HB2 PHE 13 4.972 1.463 -1.103
110 HB3 PHE 13 HB1 PHE 13 5.039 2.690 -2.366
111 HD1 PHE 13 HD1 PHE 13 3.798 2.399 -4.443
112 HD2 PHE 13 HD2 PHE 13 3.465 -0.373 -1.239
113 HE1 PHE 13 HE1 PHE 13 1.737 1.507 -5.438
114 HE2 PHE 13 HE2 PHE 13 1.398 -1.272 -2.223
115 HZ PHE 13 HZ PHE 13 0.577 -0.399 -4.350
116 H THR 14 HN THR 14 7.620 3.083 -3.229
117 HA THR 14 HA THR 14 9.736 2.480 -1.318
118 HB THR 14 HB THR 14 9.651 4.887 -3.129
119 HG1 THR 14 HG1 THR 14 10.962 3.225 -4.488
120 HG21 THR 14 HG21 THR 14 11.457 4.752 -1.461
121 HG22 THR 14 HG22 THR 14 12.085 4.613 -3.104
122 HG23 THR 14 HG23 THR 14 11.922 3.175 -2.098
123 H ARG 15 HN ARG 15 6.816 3.907 -1.142
124 HA ARG 15 HA ARG 15 7.652 5.720 1.007
125 HB2 ARG 15 HB2 ARG 15 5.663 6.416 -1.167
126 HB3 ARG 15 HB1 ARG 15 5.997 7.401 0.247
127 HG2 ARG 15 HG2 ARG 15 8.338 7.636 -0.530
128 HG3 ARG 15 HG1 ARG 15 7.899 6.751 -1.991
129 HD2 ARG 15 HD2 ARG 15 6.242 8.470 -2.531
130 HD3 ARG 15 HD1 ARG 15 6.682 9.353 -1.070
131 HE ARG 15 HE ARG 15 8.831 8.825 -2.948
132 HH11 ARG 15 HH11 ARG 15 6.421 11.072 -1.784
133 HH12 ARG 15 HH12 ARG 15 7.213 12.464 -2.444
134 HH21 ARG 15 HH21 ARG 15 9.873 10.652 -3.842
135 HH22 ARG 15 HH22 ARG 15 9.176 12.225 -3.619
136 H SER 16 HN SER 16 6.363 5.662 2.775
137 HA SER 16 HA SER 16 4.497 3.549 3.053
138 HB2 SER 16 HB2 SER 16 4.051 4.724 5.294
139 HB3 SER 16 HB1 SER 16 5.696 4.162 4.998
140 HG SER 16 HG SER 16 4.718 6.718 5.266
141 H ASP 17 HN ASP 17 4.201 7.001 2.500
142 HA ASP 17 HA ASP 17 1.412 7.223 2.819
143 HB2 ASP 17 HB2 ASP 17 3.407 8.824 1.228
144 HB3 ASP 17 HB1 ASP 17 1.695 9.203 1.204
145 H GLU 18 HN GLU 18 3.408 6.174 0.152
146 HA GLU 18 HA GLU 18 1.282 6.101 -1.756
147 HB2 GLU 18 HB2 GLU 18 4.071 4.968 -1.721
148 HB3 GLU 18 HB1 GLU 18 2.960 4.679 -3.053
149 HG2 GLU 18 HG2 GLU 18 3.679 7.436 -2.109
150 HG3 GLU 18 HG1 GLU 18 4.609 6.565 -3.332
151 H LEU 19 HN LEU 19 2.788 3.796 0.448
152 HA LEU 19 HA LEU 19 1.354 1.524 -0.426
153 HB2 LEU 19 HB2 LEU 19 3.272 1.239 0.984
154 HB3 LEU 19 HB1 LEU 19 2.555 2.221 2.247
155 HG LEU 19 HG LEU 19 0.834 0.496 2.615
156 HD11 LEU 19 HD11 LEU 19 2.394 -1.096 0.585
157 HD12 LEU 19 HD12 LEU 19 0.780 -0.424 0.351
158 HD13 LEU 19 HD13 LEU 19 1.044 -1.683 1.556
159 HD21 LEU 19 HD21 LEU 19 2.240 -1.098 3.720
160 HD22 LEU 19 HD22 LEU 19 2.991 0.491 3.863
161 HD23 LEU 19 HD23 LEU 19 3.608 -0.677 2.695
162 H GLN 20 HN GLN 20 0.709 3.880 2.153
163 HA GLN 20 HA GLN 20 -1.752 2.864 3.009
164 HB2 GLN 20 HB2 GLN 20 -0.527 4.613 4.211
165 HB3 GLN 20 HB1 GLN 20 -0.807 5.736 2.891
166 HG2 GLN 20 HG2 GLN 20 -3.224 5.606 3.320
167 HG3 GLN 20 HG1 GLN 20 -2.906 4.529 4.679
168 HE21 GLN 20 HE21 GLN 20 -3.802 5.934 6.160
169 HE22 GLN 20 HE22 GLN 20 -3.018 7.398 6.643
170 H ARG 21 HN ARG 21 -0.991 5.300 0.578
171 HA ARG 21 HA ARG 21 -3.493 5.900 -0.403
172 HB2 ARG 21 HB2 ARG 21 -1.366 6.975 -1.072
173 HB3 ARG 21 HB1 ARG 21 -0.945 5.537 -1.982
174 HG2 ARG 21 HG2 ARG 21 -2.851 5.903 -3.457
175 HG3 ARG 21 HG1 ARG 21 -3.273 7.358 -2.545
176 HD2 ARG 21 HD2 ARG 21 -1.044 8.284 -3.063
177 HD3 ARG 21 HD1 ARG 21 -0.707 6.861 -4.041
178 HE ARG 21 HE ARG 21 -3.083 8.046 -4.946
179 HH11 ARG 21 HH11 ARG 21 0.372 8.592 -4.844
180 HH12 ARG 21 HH12 ARG 21 0.382 9.592 -6.266
181 HH21 ARG 21 HH21 ARG 21 -3.077 9.365 -6.823
182 HH22 ARG 21 HH22 ARG 21 -1.580 10.031 -7.392
183 H HIS 22 HN HIS 22 -1.304 3.300 -1.455
184 HA HIS 22 HA HIS 22 -3.018 2.156 -3.339
185 HB2 HIS 22 HB2 HIS 22 -0.783 1.441 -3.451
186 HB3 HIS 22 HB1 HIS 22 -0.722 1.065 -1.730
187 HD1 HIS 22 HD1 HIS 22 -2.106 -0.331 -4.998
188 HD2 HIS 22 HD2 HIS 22 -1.517 -1.443 -1.017
189 HE1 HIS 22 HE1 HIS 22 -2.792 -2.777 -4.809
190 H LYS 23 HN LYS 23 -2.640 1.500 0.127
191 HA LYS 23 HA LYS 23 -4.362 -0.705 0.223
192 HB2 LYS 23 HB2 LYS 23 -3.569 1.280 2.334
193 HB3 LYS 23 HB1 LYS 23 -4.612 -0.094 2.672
194 HG2 LYS 23 HG2 LYS 23 -2.786 -1.575 1.803
195 HG3 LYS 23 HG1 LYS 23 -1.751 -0.147 1.741
196 HD2 LYS 23 HD2 LYS 23 -2.048 0.188 4.130
197 HD3 LYS 23 HD1 LYS 23 -3.134 -1.201 4.203
198 HE2 LYS 23 HE2 LYS 23 -1.303 -2.654 3.451
199 HE3 LYS 23 HE1 LYS 23 -0.222 -1.263 3.426
200 HZ1 LYS 23 HZ1 LYS 23 -0.636 -1.001 5.823
201 HZ2 LYS 23 HZ2 LYS 23 0.089 -2.479 5.449
202 HZ3 LYS 23 HZ3 LYS 23 -1.559 -2.417 5.811
203 H ARG 24 HN ARG 24 -5.021 2.660 -0.067
204 HA ARG 24 HA ARG 24 -7.692 2.613 0.884
205 HB2 ARG 24 HB2 ARG 24 -6.389 4.444 -1.129
206 HB3 ARG 24 HB1 ARG 24 -7.979 4.701 -0.427
207 HG2 ARG 24 HG2 ARG 24 -6.889 4.757 1.818
208 HG3 ARG 24 HG1 ARG 24 -5.330 4.718 0.992
209 HD2 ARG 24 HD2 ARG 24 -5.858 7.003 1.493
210 HD3 ARG 24 HD1 ARG 24 -6.010 6.766 -0.249
211 HE ARG 24 HE ARG 24 -8.483 6.409 1.154
212 HH11 ARG 24 HH11 ARG 24 -7.602 9.941 -0.545
213 HH12 ARG 24 HH12 ARG 24 -6.357 8.750 -0.340
214 HH21 ARG 24 HH21 ARG 24 -9.747 9.494 0.153
215 HH22 ARG 24 HH22 ARG 24 -10.126 7.974 0.894
216 H THR 25 HN THR 25 -6.352 1.047 -1.762
217 HA THR 25 HA THR 25 -8.784 1.096 -3.341
218 HB THR 25 HB THR 25 -7.687 -0.509 -4.815
219 HG1 THR 25 HG1 THR 25 -5.371 -0.408 -3.175
220 HG21 THR 25 HG21 THR 25 -5.762 0.836 -5.525
221 HG22 THR 25 HG22 THR 25 -5.815 1.712 -3.995
222 HG23 THR 25 HG23 THR 25 -7.151 1.852 -5.136
223 H HIS 26 HN HIS 26 -7.244 -0.847 -0.904
224 HA HIS 26 HA HIS 26 -9.091 -3.050 -1.181
225 HB2 HIS 26 HB2 HIS 26 -7.085 -2.411 0.999
226 HB3 HIS 26 HB1 HIS 26 -8.032 -3.890 0.911
227 HD1 HIS 26 HD1 HIS 26 -7.529 -5.321 -1.469
228 HD2 HIS 26 HD2 HIS 26 -4.659 -2.633 -0.090
229 HE1 HIS 26 HE1 HIS 26 -5.331 -5.962 -2.589
230 H THR 27 HN THR 27 -8.487 -0.424 1.111
231 HA THR 27 HA THR 27 -11.200 -0.788 2.181
232 HB THR 27 HB THR 27 -9.033 0.950 3.370
233 HG1 THR 27 HG1 THR 27 -9.522 -1.835 3.646
234 HG21 THR 27 HG21 THR 27 -10.334 0.659 5.426
235 HG22 THR 27 HG22 THR 27 -11.490 -0.351 4.558
236 HG23 THR 27 HG23 THR 27 -11.327 1.357 4.146
237 H GLY 28 HN GLY 28 -11.745 0.168 0.002
238 HA2 GLY 28 HA2 GLY 28 -11.226 3.003 -0.304
239 HA3 GLY 28 HA1 GLY 28 -12.091 1.972 -1.434
240 H GLU 29 HN GLU 29 -12.962 4.518 -0.736
241 HA GLU 29 HA GLU 29 -15.104 4.202 1.197
242 HB2 GLU 29 HB2 GLU 29 -13.766 6.324 0.997
243 HB3 GLU 29 HB1 GLU 29 -14.479 6.562 -0.592
244 HG2 GLU 29 HG2 GLU 29 -16.712 6.612 0.456
245 HG3 GLU 29 HG1 GLU 29 -15.939 6.499 2.037
246 H LYS 30 HN LYS 30 -16.184 2.499 0.014
247 HA LYS 30 HA LYS 30 -17.874 3.564 -2.137
248 HB2 LYS 30 HB2 LYS 30 -16.049 2.122 -3.066
249 HB3 LYS 30 HB1 LYS 30 -16.678 0.785 -2.113
250 HG2 LYS 30 HG2 LYS 30 -18.776 0.874 -3.331
251 HG3 LYS 30 HG1 LYS 30 -18.194 2.262 -4.252
252 HD2 LYS 30 HD2 LYS 30 -16.369 0.867 -5.148
253 HD3 LYS 30 HD1 LYS 30 -17.022 -0.517 -4.271
254 HE2 LYS 30 HE2 LYS 30 -17.716 -0.559 -6.603
255 HE3 LYS 30 HE1 LYS 30 -19.102 -0.342 -5.536
256 HZ1 LYS 30 HZ1 LYS 30 -19.198 1.120 -7.461
257 HZ2 LYS 30 HZ2 LYS 30 -17.728 1.831 -7.022
258 HZ3 LYS 30 HZ3 LYS 30 -19.083 2.012 -6.031
259 HN1 NH2 31 HN1 NH2 31 -19.650 3.785 -0.912
260 HN2 NH2 31 HN2 NH2 31 -20.451 2.496 -0.087
Start of MODEL 7
1 H1 ARG 1 HT1 ARG 1 14.498 -1.647 3.209
2 H2 ARG 1 HT2 ARG 1 14.789 -2.737 4.467
3 H3 ARG 1 HT3 ARG 1 13.773 -1.408 4.716
4 HA ARG 1 HA ARG 1 13.241 -3.641 2.852
5 HB2 ARG 1 HB2 ARG 1 12.076 -2.976 5.564
6 HB3 ARG 1 HB1 ARG 1 11.385 -4.158 4.463
7 HG2 ARG 1 HG2 ARG 1 14.163 -4.308 5.610
8 HG3 ARG 1 HG1 ARG 1 12.756 -5.158 6.253
9 HD2 ARG 1 HD2 ARG 1 13.821 -5.471 3.445
10 HD3 ARG 1 HD1 ARG 1 14.189 -6.561 4.780
11 HE ARG 1 HE ARG 1 11.489 -6.558 4.734
12 HH11 ARG 1 HH11 ARG 1 12.913 -8.149 1.336
13 HH12 ARG 1 HH12 ARG 1 13.867 -6.995 2.208
14 HH21 ARG 1 HH21 ARG 1 10.217 -8.071 3.571
15 HH22 ARG 1 HH22 ARG 1 10.840 -8.753 2.100
16 HA PRO 2 HA PRO 2 10.596 -0.574 1.039
17 HB2 PRO 2 HB2 PRO 2 9.310 -2.143 -0.730
18 HB3 PRO 2 HB1 PRO 2 11.013 -1.705 -0.932
19 HG2 PRO 2 HG2 PRO 2 9.821 -4.236 0.130
20 HG3 PRO 2 HG1 PRO 2 11.180 -4.024 -0.988
21 HD2 PRO 2 HD2 PRO 2 11.489 -4.521 1.682
22 HD3 PRO 2 HD1 PRO 2 12.675 -3.624 0.710
23 H PHE 3 HN PHE 3 8.300 -0.173 0.675
24 HA PHE 3 HA PHE 3 6.687 -1.256 2.842
25 HB2 PHE 3 HB2 PHE 3 6.149 0.975 0.866
26 HB3 PHE 3 HB1 PHE 3 5.087 0.531 2.190
27 HD1 PHE 3 HD1 PHE 3 8.203 2.171 1.255
28 HD2 PHE 3 HD2 PHE 3 5.672 1.035 4.478
29 HE1 PHE 3 HE1 PHE 3 9.414 3.711 2.740
30 HE2 PHE 3 HE2 PHE 3 6.879 2.571 5.971
31 HZ PHE 3 HZ PHE 3 8.753 3.912 5.105
32 H NLE 4 HN NLE 4 6.319 -3.347 2.037
33 HA NLE 4 HA NLE 4 5.092 -3.586 -0.598
34 HB2 NLE 4 HB1 NLE 4 6.008 -5.759 1.286
35 HB3 NLE 4 HB2 NLE 4 6.998 -5.067 0.012
36 HG2 NLE 4 HG1 NLE 4 5.471 -5.905 -1.673
37 HG3 NLE 4 HG2 NLE 4 4.394 -6.521 -0.421
38 HD2 NLE 4 HD1 NLE 4 7.245 -7.431 -0.813
39 HD3 NLE 4 HD2 NLE 4 5.822 -8.283 -1.428
40 HE1 NLE 4 HE1 NLE 4 4.979 -8.488 0.871
41 HE2 NLE 4 HE2 NLE 4 6.442 -7.700 1.464
42 HE3 NLE 4 HE3 NLE 4 6.545 -9.268 0.666
43 H CYS 5 HN CYS 5 3.025 -4.032 -0.930
44 HA CYS 5 HA CYS 5 1.171 -4.195 1.218
45 HB2 CYS 5 HB2 CYS 5 0.526 -3.240 -0.944
46 HB3 CYS 5 HB1 CYS 5 0.827 -4.782 -1.733
47 H THR 6 HN THR 6 0.092 -5.967 2.030
48 HA THR 6 HA THR 6 0.954 -8.608 1.082
49 HB THR 6 HB THR 6 0.876 -9.304 3.549
50 HG1 THR 6 HG1 THR 6 0.193 -7.684 4.755
51 HG21 THR 6 HG21 THR 6 3.057 -7.447 2.595
52 HG22 THR 6 HG22 THR 6 2.958 -9.183 2.299
53 HG23 THR 6 HG23 THR 6 3.199 -8.581 3.938
54 H TRP 7 HN TRP 7 -1.358 -7.637 0.180
55 HA TRP 7 HA TRP 7 -3.506 -8.428 1.991
56 HB2 TRP 7 HB2 TRP 7 -3.545 -6.279 0.617
57 HB3 TRP 7 HB1 TRP 7 -3.794 -7.303 -0.789
58 HD1 TRP 7 HD1 TRP 7 -6.173 -8.479 -1.046
59 HE1 TRP 7 HE1 TRP 7 -8.455 -7.997 0.041
60 HE3 TRP 7 HE3 TRP 7 -4.615 -5.502 2.791
61 HZ2 TRP 7 HZ2 TRP 7 -9.459 -6.543 2.236
62 HZ3 TRP 7 HZ3 TRP 7 -6.298 -4.602 4.343
63 HH2 TRP 7 HH2 TRP 7 -8.671 -5.111 4.067
64 H ORN 8 HT1 ORN 8 -2.204 -14.042 -2.462
65 HA ORN 8 HA ORN 8 -3.016 -11.808 -2.148
66 HB2 ORN 8 HB1 ORN 8 -1.161 -11.057 -0.518
67 HB3 ORN 8 HB2 ORN 8 -0.332 -12.530 -0.995
68 HG2 ORN 8 HG1 ORN 8 -1.508 -12.943 1.039
69 HG3 ORN 8 HG2 ORN 8 -2.315 -13.824 -0.260
70 HD2 ORN 8 HD1 ORN 8 -3.922 -12.717 1.236
71 HD3 ORN 8 HD2 ORN 8 -4.021 -12.099 -0.409
72 HE1 ORN 8 HE ORN 8 -2.844 -10.678 1.883
73 HT3 ORN 8 HT3 ORN 8 -2.238 -13.205 -3.929
74 H CYS 9 HN CYS 9 -2.894 -9.660 -2.541
75 HA CYS 9 HA CYS 9 -1.301 -8.694 -4.668
76 HB2 CYS 9 HB2 CYS 9 -3.427 -7.668 -4.229
77 HB3 CYS 9 HB1 CYS 9 -2.970 -7.307 -2.572
78 H GLY 10 HN GLY 10 0.819 -8.249 -4.586
79 HA2 GLY 10 HA2 GLY 10 1.945 -7.370 -2.004
80 HA3 GLY 10 HA1 GLY 10 2.743 -8.559 -3.015
81 H LYS 11 HN LYS 11 1.181 -5.509 -3.876
82 HA LYS 11 HA LYS 11 3.353 -4.700 -5.529
83 HB2 LYS 11 HB2 LYS 11 0.961 -4.048 -5.869
84 HB3 LYS 11 HB1 LYS 11 1.077 -3.032 -4.441
85 HG2 LYS 11 HG2 LYS 11 2.633 -1.584 -5.496
86 HG3 LYS 11 HG1 LYS 11 2.821 -2.684 -6.864
87 HD2 LYS 11 HD2 LYS 11 0.512 -2.313 -7.507
88 HD3 LYS 11 HD1 LYS 11 0.264 -1.274 -6.107
89 HE2 LYS 11 HE2 LYS 11 1.941 0.288 -6.986
90 HE3 LYS 11 HE1 LYS 11 2.160 -0.752 -8.394
91 HZ1 LYS 11 HZ1 LYS 11 -0.101 -0.349 -9.046
92 HZ2 LYS 11 HZ2 LYS 11 0.657 1.142 -8.798
93 HZ3 LYS 11 HZ3 LYS 11 -0.408 0.534 -7.635
94 H ARG 12 HN ARG 12 5.131 -3.526 -5.005
95 HA ARG 12 HA ARG 12 5.365 -2.766 -2.180
96 HB2 ARG 12 HB2 ARG 12 7.767 -3.040 -2.399
97 HB3 ARG 12 HB1 ARG 12 6.942 -4.498 -2.929
98 HG2 ARG 12 HG2 ARG 12 7.292 -3.918 -5.235
99 HG3 ARG 12 HG1 ARG 12 7.990 -2.366 -4.772
100 HD2 ARG 12 HD2 ARG 12 9.804 -3.569 -3.603
101 HD3 ARG 12 HD1 ARG 12 9.116 -5.096 -4.158
102 HE ARG 12 HE ARG 12 9.623 -3.316 -6.320
103 HH11 ARG 12 HH11 ARG 12 11.178 -5.550 -4.123
104 HH12 ARG 12 HH12 ARG 12 12.471 -5.920 -5.220
105 HH21 ARG 12 HH21 ARG 12 12.555 -4.923 -7.285
106 HH22 ARG 12 HH22 ARG 12 11.321 -3.794 -7.758
107 H PHE 13 HN PHE 13 6.325 -0.855 -1.549
108 HA PHE 13 HA PHE 13 6.513 1.223 -3.621
109 HB2 PHE 13 HB2 PHE 13 5.122 1.518 -0.953
110 HB3 PHE 13 HB1 PHE 13 5.248 2.741 -2.214
111 HD1 PHE 13 HD1 PHE 13 3.999 2.493 -4.302
112 HD2 PHE 13 HD2 PHE 13 3.540 -0.236 -1.077
113 HE1 PHE 13 HE1 PHE 13 1.918 1.666 -5.303
114 HE2 PHE 13 HE2 PHE 13 1.454 -1.069 -2.072
115 HZ PHE 13 HZ PHE 13 0.642 -0.116 -4.183
116 H THR 14 HN THR 14 7.759 3.081 -3.001
117 HA THR 14 HA THR 14 9.826 2.451 -1.033
118 HB THR 14 HB THR 14 10.866 4.588 -2.099
119 HG1 THR 14 HG1 THR 14 9.296 3.836 -4.320
120 HG21 THR 14 HG21 THR 14 11.775 2.343 -2.423
121 HG22 THR 14 HG22 THR 14 11.822 3.252 -3.934
122 HG23 THR 14 HG23 THR 14 10.578 2.028 -3.678
123 H ARG 15 HN ARG 15 6.938 4.004 -1.048
124 HA ARG 15 HA ARG 15 7.770 5.741 1.167
125 HB2 ARG 15 HB2 ARG 15 5.758 6.578 -0.930
126 HB3 ARG 15 HB1 ARG 15 6.297 7.531 0.439
127 HG2 ARG 15 HG2 ARG 15 8.620 7.392 -0.606
128 HG3 ARG 15 HG1 ARG 15 7.791 6.824 -2.057
129 HD2 ARG 15 HD2 ARG 15 7.403 9.457 -0.639
130 HD3 ARG 15 HD1 ARG 15 8.094 9.196 -2.235
131 HE ARG 15 HE ARG 15 5.637 8.185 -2.545
132 HH11 ARG 15 HH11 ARG 15 6.772 11.218 -1.209
133 HH12 ARG 15 HH12 ARG 15 5.323 12.085 -1.619
134 HH21 ARG 15 HH21 ARG 15 3.710 9.326 -3.078
135 HH22 ARG 15 HH22 ARG 15 3.598 11.016 -2.673
136 H SER 16 HN SER 16 6.433 5.737 2.884
137 HA SER 16 HA SER 16 4.449 3.760 3.180
138 HB2 SER 16 HB2 SER 16 5.651 4.666 5.111
139 HB3 SER 16 HB1 SER 16 4.955 6.260 4.826
140 HG SER 16 HG SER 16 3.421 3.931 5.361
141 H ASP 17 HN ASP 17 4.336 7.139 2.263
142 HA ASP 17 HA ASP 17 1.593 7.610 2.397
143 HB2 ASP 17 HB2 ASP 17 3.541 8.652 0.327
144 HB3 ASP 17 HB1 ASP 17 1.975 9.347 0.708
145 H GLU 18 HN GLU 18 3.549 6.174 -0.153
146 HA GLU 18 HA GLU 18 1.492 5.913 -2.058
147 HB2 GLU 18 HB2 GLU 18 4.079 4.409 -1.702
148 HB3 GLU 18 HB1 GLU 18 3.019 4.210 -3.090
149 HG2 GLU 18 HG2 GLU 18 4.375 6.761 -2.261
150 HG3 GLU 18 HG1 GLU 18 4.877 5.695 -3.574
151 H LEU 19 HN LEU 19 2.801 3.704 0.387
152 HA LEU 19 HA LEU 19 1.171 1.510 -0.303
153 HB2 LEU 19 HB2 LEU 19 3.169 1.243 1.063
154 HB3 LEU 19 HB1 LEU 19 2.449 2.205 2.339
155 HG LEU 19 HG LEU 19 0.729 0.484 2.686
156 HD11 LEU 19 HD11 LEU 19 2.250 -1.064 0.590
157 HD12 LEU 19 HD12 LEU 19 0.611 -0.429 0.439
158 HD13 LEU 19 HD13 LEU 19 0.959 -1.706 1.604
159 HD21 LEU 19 HD21 LEU 19 3.501 -0.695 2.735
160 HD22 LEU 19 HD22 LEU 19 2.133 -1.140 3.756
161 HD23 LEU 19 HD23 LEU 19 2.882 0.448 3.924
162 H GLN 20 HN GLN 20 0.698 4.183 1.975
163 HA GLN 20 HA GLN 20 -1.721 3.285 3.086
164 HB2 GLN 20 HB2 GLN 20 -0.512 5.122 4.097
165 HB3 GLN 20 HB1 GLN 20 -0.705 6.100 2.650
166 HG2 GLN 20 HG2 GLN 20 -3.146 6.093 3.012
167 HG3 GLN 20 HG1 GLN 20 -2.897 5.191 4.505
168 HE21 GLN 20 HE21 GLN 20 -0.739 7.714 3.421
169 HE22 GLN 20 HE22 GLN 20 -1.145 8.856 4.653
170 H ARG 21 HN ARG 21 -1.093 5.433 0.339
171 HA ARG 21 HA ARG 21 -3.759 5.896 -0.404
172 HB2 ARG 21 HB2 ARG 21 -1.280 5.781 -2.127
173 HB3 ARG 21 HB1 ARG 21 -2.833 6.410 -2.656
174 HG2 ARG 21 HG2 ARG 21 -2.709 8.219 -1.108
175 HG3 ARG 21 HG1 ARG 21 -1.283 7.528 -0.330
176 HD2 ARG 21 HD2 ARG 21 -0.043 7.788 -2.447
177 HD3 ARG 21 HD1 ARG 21 -1.462 8.548 -3.162
178 HE ARG 21 HE ARG 21 -0.831 9.951 -0.836
179 HH11 ARG 21 HH11 ARG 21 0.584 9.291 -3.971
180 HH12 ARG 21 HH12 ARG 21 1.448 10.795 -4.042
181 HH21 ARG 21 HH21 ARG 21 0.315 11.926 -0.913
182 HH22 ARG 21 HH22 ARG 21 1.301 12.296 -2.296
183 H HIS 22 HN HIS 22 -1.462 3.409 -1.408
184 HA HIS 22 HA HIS 22 -3.123 2.085 -3.225
185 HB2 HIS 22 HB2 HIS 22 -0.775 1.634 -3.241
186 HB3 HIS 22 HB1 HIS 22 -0.799 1.128 -1.554
187 HD1 HIS 22 HD1 HIS 22 -1.496 -0.139 -5.027
188 HD2 HIS 22 HD2 HIS 22 -1.802 -1.412 -1.065
189 HE1 HIS 22 HE1 HIS 22 -2.042 -2.627 -5.098
190 H LYS 23 HN LYS 23 -2.636 1.601 0.257
191 HA LYS 23 HA LYS 23 -4.206 -0.648 0.646
192 HB2 LYS 23 HB2 LYS 23 -3.540 1.706 2.366
193 HB3 LYS 23 HB1 LYS 23 -4.703 0.521 2.936
194 HG2 LYS 23 HG2 LYS 23 -2.024 -0.366 1.965
195 HG3 LYS 23 HG1 LYS 23 -2.204 0.304 3.585
196 HD2 LYS 23 HD2 LYS 23 -3.700 -2.076 2.476
197 HD3 LYS 23 HD1 LYS 23 -2.353 -2.138 3.610
198 HE2 LYS 23 HE2 LYS 23 -3.757 -0.724 5.162
199 HE3 LYS 23 HE1 LYS 23 -5.108 -1.011 4.070
200 HZ1 LYS 23 HZ1 LYS 23 -3.573 -3.085 5.538
201 HZ2 LYS 23 HZ2 LYS 23 -4.832 -3.396 4.455
202 HZ3 LYS 23 HZ3 LYS 23 -5.144 -2.565 5.894
203 H ARG 24 HN ARG 24 -5.169 2.653 0.059
204 HA ARG 24 HA ARG 24 -7.831 2.495 0.938
205 HB2 ARG 24 HB2 ARG 24 -6.589 4.166 -1.241
206 HB3 ARG 24 HB1 ARG 24 -8.248 4.358 -0.694
207 HG2 ARG 24 HG2 ARG 24 -7.427 4.871 1.562
208 HG3 ARG 24 HG1 ARG 24 -5.770 4.726 0.974
209 HD2 ARG 24 HD2 ARG 24 -6.164 6.551 -0.602
210 HD3 ARG 24 HD1 ARG 24 -7.829 6.683 -0.041
211 HE ARG 24 HE ARG 24 -6.197 6.960 2.185
212 HH11 ARG 24 HH11 ARG 24 -6.417 10.207 -0.167
213 HH12 ARG 24 HH12 ARG 24 -6.794 8.646 -0.819
214 HH21 ARG 24 HH21 ARG 24 -5.797 10.418 2.037
215 HH22 ARG 24 HH22 ARG 24 -5.711 9.016 3.058
216 H THR 25 HN THR 25 -6.310 1.135 -1.864
217 HA THR 25 HA THR 25 -8.685 0.889 -3.429
218 HB THR 25 HB THR 25 -7.445 -0.627 -4.858
219 HG1 THR 25 HG1 THR 25 -5.248 -0.501 -3.056
220 HG21 THR 25 HG21 THR 25 -5.666 1.620 -3.909
221 HG22 THR 25 HG22 THR 25 -6.962 1.763 -5.095
222 HG23 THR 25 HG23 THR 25 -5.539 0.784 -5.456
223 H HIS 26 HN HIS 26 -7.200 -0.952 -0.890
224 HA HIS 26 HA HIS 26 -8.985 -3.222 -1.302
225 HB2 HIS 26 HB2 HIS 26 -6.891 -2.748 0.829
226 HB3 HIS 26 HB1 HIS 26 -7.795 -4.237 0.602
227 HD1 HIS 26 HD1 HIS 26 -7.364 -5.289 -2.025
228 HD2 HIS 26 HD2 HIS 26 -4.471 -2.851 -0.259
229 HE1 HIS 26 HE1 HIS 26 -5.166 -5.780 -3.219
230 H THR 27 HN THR 27 -8.525 -0.491 0.822
231 HA THR 27 HA THR 27 -10.673 -1.446 2.576
232 HB THR 27 HB THR 27 -9.847 0.382 4.118
233 HG1 THR 27 HG1 THR 27 -7.688 0.388 2.244
234 HG21 THR 27 HG21 THR 27 -7.879 -0.922 4.862
235 HG22 THR 27 HG22 THR 27 -7.941 -1.831 3.351
236 HG23 THR 27 HG23 THR 27 -9.270 -1.946 4.506
237 H GLY 28 HN GLY 28 -11.217 -0.318 -0.005
238 HA2 GLY 28 HA2 GLY 28 -12.376 2.297 0.609
239 HA3 GLY 28 HA1 GLY 28 -12.308 1.539 -0.977
240 H GLU 29 HN GLU 29 -13.364 -0.038 1.946
241 HA GLU 29 HA GLU 29 -16.089 -0.203 0.843
242 HB2 GLU 29 HB2 GLU 29 -14.691 -2.329 0.800
243 HB3 GLU 29 HB1 GLU 29 -14.725 -2.289 2.557
244 HG2 GLU 29 HG2 GLU 29 -17.151 -2.466 2.526
245 HG3 GLU 29 HG1 GLU 29 -17.133 -2.487 0.764
246 H LYS 30 HN LYS 30 -14.733 1.644 2.787
247 HA LYS 30 HA LYS 30 -16.382 1.108 5.162
248 HB2 LYS 30 HB2 LYS 30 -13.912 1.318 5.521
249 HB3 LYS 30 HB1 LYS 30 -14.008 2.969 4.921
250 HG2 LYS 30 HG2 LYS 30 -15.569 3.504 6.758
251 HG3 LYS 30 HG1 LYS 30 -15.346 1.869 7.382
252 HD2 LYS 30 HD2 LYS 30 -12.928 2.323 7.604
253 HD3 LYS 30 HD1 LYS 30 -13.215 3.981 7.070
254 HE2 LYS 30 HE2 LYS 30 -14.361 2.668 9.530
255 HE3 LYS 30 HE1 LYS 30 -13.077 3.872 9.495
256 HZ1 LYS 30 HZ1 LYS 30 -15.855 4.332 8.558
257 HZ2 LYS 30 HZ2 LYS 30 -14.621 5.484 8.631
258 HZ3 LYS 30 HZ3 LYS 30 -15.243 4.821 10.056
259 HN1 NH2 31 HN1 NH2 31 -18.286 1.987 4.464
260 HN2 NH2 31 HN2 NH2 31 -18.497 3.665 4.117
Start of MODEL 8
1 H1 ARG 1 HT1 ARG 1 14.438 -1.031 3.055
2 H2 ARG 1 HT2 ARG 1 14.614 -1.805 4.545
3 H3 ARG 1 HT3 ARG 1 13.601 -0.459 4.405
4 HA ARG 1 HA ARG 1 13.187 -3.050 3.047
5 HB2 ARG 1 HB2 ARG 1 11.331 -3.383 4.603
6 HB3 ARG 1 HB1 ARG 1 12.839 -3.205 5.488
7 HG2 ARG 1 HG2 ARG 1 12.284 -0.977 6.133
8 HG3 ARG 1 HG1 ARG 1 10.883 -0.954 5.060
9 HD2 ARG 1 HD2 ARG 1 9.875 -2.771 6.418
10 HD3 ARG 1 HD1 ARG 1 11.254 -2.679 7.511
11 HE ARG 1 HE ARG 1 10.479 -0.215 7.714
12 HH11 ARG 1 HH11 ARG 1 7.078 -2.275 8.288
13 HH12 ARG 1 HH12 ARG 1 8.368 -2.996 7.381
14 HH21 ARG 1 HH21 ARG 1 8.768 0.733 8.888
15 HH22 ARG 1 HH22 ARG 1 7.301 -0.162 9.136
16 HA PRO 2 HA PRO 2 10.404 -0.510 0.618
17 HB2 PRO 2 HB2 PRO 2 9.283 -2.454 -0.854
18 HB3 PRO 2 HB1 PRO 2 10.952 -1.936 -1.127
19 HG2 PRO 2 HG2 PRO 2 9.925 -4.332 0.336
20 HG3 PRO 2 HG1 PRO 2 11.309 -4.200 -0.764
21 HD2 PRO 2 HD2 PRO 2 11.513 -4.197 1.981
22 HD3 PRO 2 HD1 PRO 2 12.707 -3.462 0.894
23 H PHE 3 HN PHE 3 8.252 0.028 0.707
24 HA PHE 3 HA PHE 3 6.719 -1.164 2.845
25 HB2 PHE 3 HB2 PHE 3 6.103 1.121 0.957
26 HB3 PHE 3 HB1 PHE 3 5.090 0.641 2.312
27 HD1 PHE 3 HD1 PHE 3 8.064 2.423 1.284
28 HD2 PHE 3 HD2 PHE 3 5.912 0.896 4.621
29 HE1 PHE 3 HE1 PHE 3 9.383 3.857 2.787
30 HE2 PHE 3 HE2 PHE 3 7.228 2.326 6.128
31 HZ PHE 3 HZ PHE 3 8.966 3.808 5.211
32 H NLE 4 HN NLE 4 6.160 -3.179 2.183
33 HA NLE 4 HA NLE 4 5.011 -3.530 -0.481
34 HB2 NLE 4 HB1 NLE 4 5.971 -5.576 1.525
35 HB3 NLE 4 HB2 NLE 4 6.915 -4.959 0.179
36 HG2 NLE 4 HG1 NLE 4 5.310 -5.931 -1.390
37 HG3 NLE 4 HG2 NLE 4 4.371 -6.557 -0.032
38 HD2 NLE 4 HD1 NLE 4 6.274 -7.919 0.673
39 HD3 NLE 4 HD2 NLE 4 7.235 -7.280 -0.670
40 HE1 NLE 4 HE1 NLE 4 6.318 -9.470 -1.220
41 HE2 NLE 4 HE2 NLE 4 5.628 -8.221 -2.257
42 HE3 NLE 4 HE3 NLE 4 4.687 -8.873 -0.914
43 H CYS 5 HN CYS 5 2.946 -3.986 -0.813
44 HA CYS 5 HA CYS 5 1.071 -4.109 1.327
45 HB2 CYS 5 HB2 CYS 5 0.422 -3.186 -0.838
46 HB3 CYS 5 HB1 CYS 5 0.759 -4.725 -1.619
47 H THR 6 HN THR 6 0.116 -5.857 2.258
48 HA THR 6 HA THR 6 0.945 -8.516 1.324
49 HB THR 6 HB THR 6 0.849 -9.149 3.817
50 HG1 THR 6 HG1 THR 6 0.257 -7.501 5.017
51 HG21 THR 6 HG21 THR 6 3.056 -7.345 2.819
52 HG22 THR 6 HG22 THR 6 2.929 -9.080 2.533
53 HG23 THR 6 HG23 THR 6 3.180 -8.473 4.169
54 H TRP 7 HN TRP 7 -1.386 -7.493 0.438
55 HA TRP 7 HA TRP 7 -3.515 -8.352 2.234
56 HB2 TRP 7 HB2 TRP 7 -3.562 -6.182 0.856
57 HB3 TRP 7 HB1 TRP 7 -3.873 -7.219 -0.529
58 HD1 TRP 7 HD1 TRP 7 -6.211 -8.672 -0.431
59 HE1 TRP 7 HE1 TRP 7 -8.470 -8.058 0.640
60 HE3 TRP 7 HE3 TRP 7 -4.619 -4.988 2.716
61 HZ2 TRP 7 HZ2 TRP 7 -9.443 -6.239 2.575
62 HZ3 TRP 7 HZ3 TRP 7 -6.271 -3.852 4.143
63 HH2 TRP 7 HH2 TRP 7 -8.634 -4.464 4.071
64 H ORN 8 HT1 ORN 8 -2.147 -13.399 -3.672
65 HA ORN 8 HA ORN 8 -3.003 -11.937 -1.993
66 HB2 ORN 8 HB1 ORN 8 -1.196 -11.017 -0.378
67 HB3 ORN 8 HB2 ORN 8 -0.338 -12.509 -0.729
68 HG2 ORN 8 HG1 ORN 8 -1.552 -12.822 1.288
69 HG3 ORN 8 HG2 ORN 8 -2.356 -13.762 0.031
70 HD2 ORN 8 HD1 ORN 8 -3.998 -12.604 1.397
71 HD3 ORN 8 HD2 ORN 8 -4.010 -11.970 -0.246
72 HE1 ORN 8 HE ORN 8 -2.877 -10.593 2.096
73 HT3 ORN 8 HT3 ORN 8 -0.667 -13.527 -2.865
74 H CYS 9 HN CYS 9 -2.848 -9.744 -2.278
75 HA CYS 9 HA CYS 9 -1.363 -8.772 -4.489
76 HB2 CYS 9 HB2 CYS 9 -3.500 -7.791 -3.909
77 HB3 CYS 9 HB1 CYS 9 -2.916 -7.374 -2.305
78 H GLY 10 HN GLY 10 0.752 -8.269 -4.492
79 HA2 GLY 10 HA2 GLY 10 1.957 -7.369 -1.962
80 HA3 GLY 10 HA1 GLY 10 2.696 -8.650 -2.907
81 H LYS 11 HN LYS 11 1.394 -5.408 -3.496
82 HA LYS 11 HA LYS 11 3.493 -4.841 -5.408
83 HB2 LYS 11 HB2 LYS 11 1.068 -4.115 -5.638
84 HB3 LYS 11 HB1 LYS 11 1.372 -2.967 -4.347
85 HG2 LYS 11 HG2 LYS 11 2.792 -1.676 -5.667
86 HG3 LYS 11 HG1 LYS 11 3.038 -2.978 -6.837
87 HD2 LYS 11 HD2 LYS 11 0.658 -2.805 -7.476
88 HD3 LYS 11 HD1 LYS 11 0.482 -1.442 -6.374
89 HE2 LYS 11 HE2 LYS 11 2.450 -1.494 -8.649
90 HE3 LYS 11 HE1 LYS 11 0.814 -0.860 -8.802
91 HZ1 LYS 11 HZ1 LYS 11 1.328 0.749 -7.067
92 HZ2 LYS 11 HZ2 LYS 11 2.387 0.901 -8.374
93 HZ3 LYS 11 HZ3 LYS 11 2.905 0.149 -6.953
94 H ARG 12 HN ARG 12 5.264 -3.590 -5.035
95 HA ARG 12 HA ARG 12 5.750 -2.898 -2.224
96 HB2 ARG 12 HB2 ARG 12 7.651 -3.398 -4.518
97 HB3 ARG 12 HB1 ARG 12 8.163 -2.842 -2.930
98 HG2 ARG 12 HG2 ARG 12 7.321 -4.867 -1.913
99 HG3 ARG 12 HG1 ARG 12 6.703 -5.417 -3.471
100 HD2 ARG 12 HD2 ARG 12 8.947 -5.558 -4.358
101 HD3 ARG 12 HD1 ARG 12 9.608 -4.862 -2.880
102 HE ARG 12 HE ARG 12 9.075 -6.877 -1.732
103 HH11 ARG 12 HH11 ARG 12 8.604 -7.048 -5.202
104 HH12 ARG 12 HH12 ARG 12 8.654 -8.782 -5.244
105 HH21 ARG 12 HH21 ARG 12 8.965 -9.976 -3.311
106 HH22 ARG 12 HH22 ARG 12 9.159 -9.155 -1.796
107 H PHE 13 HN PHE 13 6.193 -0.882 -1.568
108 HA PHE 13 HA PHE 13 6.316 1.220 -3.627
109 HB2 PHE 13 HB2 PHE 13 4.974 1.359 -0.917
110 HB3 PHE 13 HB1 PHE 13 5.053 2.663 -2.100
111 HD1 PHE 13 HD1 PHE 13 3.768 2.561 -4.147
112 HD2 PHE 13 HD2 PHE 13 3.491 -0.489 -1.205
113 HE1 PHE 13 HE1 PHE 13 1.692 1.762 -5.185
114 HE2 PHE 13 HE2 PHE 13 1.410 -1.295 -2.233
115 HZ PHE 13 HZ PHE 13 0.568 -0.246 -4.277
116 H THR 14 HN THR 14 7.584 3.028 -3.165
117 HA THR 14 HA THR 14 9.824 2.491 -1.398
118 HB THR 14 HB THR 14 9.438 4.915 -3.160
119 HG1 THR 14 HG1 THR 14 10.476 2.345 -3.864
120 HG21 THR 14 HG21 THR 14 11.885 4.890 -3.247
121 HG22 THR 14 HG22 THR 14 11.915 3.450 -2.232
122 HG23 THR 14 HG23 THR 14 11.321 4.976 -1.578
123 H ARG 15 HN ARG 15 6.875 4.141 -1.301
124 HA ARG 15 HA ARG 15 7.762 5.693 1.025
125 HB2 ARG 15 HB2 ARG 15 6.003 6.671 -1.230
126 HB3 ARG 15 HB1 ARG 15 6.175 7.510 0.305
127 HG2 ARG 15 HG2 ARG 15 8.581 7.757 -0.115
128 HG3 ARG 15 HG1 ARG 15 8.378 6.949 -1.671
129 HD2 ARG 15 HD2 ARG 15 6.988 9.504 -0.868
130 HD3 ARG 15 HD1 ARG 15 8.458 9.423 -1.836
131 HE ARG 15 HE ARG 15 6.698 7.838 -3.176
132 HH11 ARG 15 HH11 ARG 15 6.624 11.149 -2.041
133 HH12 ARG 15 HH12 ARG 15 5.631 11.710 -3.348
134 HH21 ARG 15 HH21 ARG 15 5.409 8.576 -4.911
135 HH22 ARG 15 HH22 ARG 15 4.943 10.245 -4.983
136 H SER 16 HN SER 16 6.463 5.666 2.739
137 HA SER 16 HA SER 16 4.556 3.605 2.976
138 HB2 SER 16 HB2 SER 16 5.922 4.397 4.867
139 HB3 SER 16 HB1 SER 16 5.076 5.941 4.832
140 HG SER 16 HG SER 16 3.903 4.910 6.271
141 H ASP 17 HN ASP 17 4.254 7.050 2.376
142 HA ASP 17 HA ASP 17 1.473 7.283 2.777
143 HB2 ASP 17 HB2 ASP 17 3.380 8.852 1.043
144 HB3 ASP 17 HB1 ASP 17 1.678 9.254 1.184
145 H GLU 18 HN GLU 18 3.401 6.192 0.080
146 HA GLU 18 HA GLU 18 1.216 6.090 -1.761
147 HB2 GLU 18 HB2 GLU 18 4.014 4.984 -1.832
148 HB3 GLU 18 HB1 GLU 18 2.851 4.689 -3.117
149 HG2 GLU 18 HG2 GLU 18 3.815 7.387 -2.198
150 HG3 GLU 18 HG1 GLU 18 4.330 6.536 -3.658
151 H LEU 19 HN LEU 19 2.814 3.805 0.407
152 HA LEU 19 HA LEU 19 1.366 1.527 -0.407
153 HB2 LEU 19 HB2 LEU 19 3.294 1.272 1.009
154 HB3 LEU 19 HB1 LEU 19 2.559 2.245 2.266
155 HG LEU 19 HG LEU 19 0.831 0.499 2.585
156 HD11 LEU 19 HD11 LEU 19 2.502 -1.062 0.621
157 HD12 LEU 19 HD12 LEU 19 0.850 -0.491 0.372
158 HD13 LEU 19 HD13 LEU 19 1.187 -1.717 1.595
159 HD21 LEU 19 HD21 LEU 19 2.941 0.585 3.917
160 HD22 LEU 19 HD22 LEU 19 3.615 -0.623 2.820
161 HD23 LEU 19 HD23 LEU 19 2.209 -1.015 3.805
162 H GLN 20 HN GLN 20 0.698 3.945 2.120
163 HA GLN 20 HA GLN 20 -1.755 2.858 2.967
164 HB2 GLN 20 HB2 GLN 20 -0.635 4.520 4.311
165 HB3 GLN 20 HB1 GLN 20 -0.735 5.705 3.015
166 HG2 GLN 20 HG2 GLN 20 -3.126 5.823 3.245
167 HG3 GLN 20 HG1 GLN 20 -3.110 4.523 4.433
168 HE21 GLN 20 HE21 GLN 20 -4.079 7.289 4.624
169 HE22 GLN 20 HE22 GLN 20 -3.247 7.973 5.977
170 H ARG 21 HN ARG 21 -0.985 5.312 0.554
171 HA ARG 21 HA ARG 21 -3.483 5.967 -0.425
172 HB2 ARG 21 HB2 ARG 21 -1.354 6.972 -1.171
173 HB3 ARG 21 HB1 ARG 21 -0.942 5.480 -1.993
174 HG2 ARG 21 HG2 ARG 21 -2.874 5.787 -3.479
175 HG3 ARG 21 HG1 ARG 21 -3.218 7.321 -2.675
176 HD2 ARG 21 HD2 ARG 21 -0.957 8.109 -3.301
177 HD3 ARG 21 HD1 ARG 21 -0.705 6.603 -4.180
178 HE ARG 21 HE ARG 21 -3.058 7.986 -5.021
179 HH11 ARG 21 HH11 ARG 21 0.425 7.821 -5.409
180 HH12 ARG 21 HH12 ARG 21 0.400 8.567 -6.976
181 HH21 ARG 21 HH21 ARG 21 -3.084 8.980 -7.071
182 HH22 ARG 21 HH22 ARG 21 -1.593 9.233 -7.920
183 H HIS 22 HN HIS 22 -1.353 3.360 -1.531
184 HA HIS 22 HA HIS 22 -3.081 2.144 -3.331
185 HB2 HIS 22 HB2 HIS 22 -0.787 1.547 -3.372
186 HB3 HIS 22 HB1 HIS 22 -0.791 1.099 -1.670
187 HD1 HIS 22 HD1 HIS 22 -1.627 -0.251 -5.082
188 HD2 HIS 22 HD2 HIS 22 -1.790 -1.417 -1.082
189 HE1 HIS 22 HE1 HIS 22 -2.192 -2.738 -5.065
190 H LYS 23 HN LYS 23 -2.637 1.534 0.139
191 HA LYS 23 HA LYS 23 -4.297 -0.680 0.393
192 HB2 LYS 23 HB2 LYS 23 -3.649 1.522 2.339
193 HB3 LYS 23 HB1 LYS 23 -4.615 0.122 2.779
194 HG2 LYS 23 HG2 LYS 23 -1.797 -0.003 1.731
195 HG3 LYS 23 HG1 LYS 23 -2.251 -0.073 3.434
196 HD2 LYS 23 HD2 LYS 23 -3.606 -2.085 2.947
197 HD3 LYS 23 HD1 LYS 23 -3.030 -2.034 1.281
198 HE2 LYS 23 HE2 LYS 23 -1.723 -3.625 2.552
199 HE3 LYS 23 HE1 LYS 23 -0.719 -2.248 2.097
200 HZ1 LYS 23 HZ1 LYS 23 -1.058 -1.335 4.324
201 HZ2 LYS 23 HZ2 LYS 23 -0.337 -2.862 4.387
202 HZ3 LYS 23 HZ3 LYS 23 -1.977 -2.689 4.750
203 H ARG 24 HN ARG 24 -5.114 2.699 0.066
204 HA ARG 24 HA ARG 24 -7.783 2.500 0.997
205 HB2 ARG 24 HB2 ARG 24 -6.415 4.460 -0.825
206 HB3 ARG 24 HB1 ARG 24 -8.123 4.592 -0.432
207 HG2 ARG 24 HG2 ARG 24 -7.541 4.721 1.953
208 HG3 ARG 24 HG1 ARG 24 -5.832 4.662 1.518
209 HD2 ARG 24 HD2 ARG 24 -6.599 6.962 1.921
210 HD3 ARG 24 HD1 ARG 24 -6.054 6.729 0.262
211 HE ARG 24 HE ARG 24 -8.584 6.386 -0.160
212 HH11 ARG 24 HH11 ARG 24 -8.488 9.774 1.994
213 HH12 ARG 24 HH12 ARG 24 -7.199 8.627 2.150
214 HH21 ARG 24 HH21 ARG 24 -10.253 9.346 0.572
215 HH22 ARG 24 HH22 ARG 24 -10.284 7.879 -0.356
216 H THR 25 HN THR 25 -6.372 1.147 -1.746
217 HA THR 25 HA THR 25 -8.796 1.173 -3.326
218 HB THR 25 HB THR 25 -6.356 1.025 -4.252
219 HG1 THR 25 HG1 THR 25 -8.146 0.893 -5.613
220 HG21 THR 25 HG21 THR 25 -5.627 -1.283 -4.719
221 HG22 THR 25 HG22 THR 25 -6.931 -1.888 -3.697
222 HG23 THR 25 HG23 THR 25 -5.631 -0.930 -2.991
223 H HIS 26 HN HIS 26 -7.240 -0.831 -0.950
224 HA HIS 26 HA HIS 26 -8.959 -3.107 -1.437
225 HB2 HIS 26 HB2 HIS 26 -6.981 -2.512 0.775
226 HB3 HIS 26 HB1 HIS 26 -7.905 -4.003 0.661
227 HD1 HIS 26 HD1 HIS 26 -7.439 -5.311 -1.817
228 HD2 HIS 26 HD2 HIS 26 -4.556 -2.700 -0.314
229 HE1 HIS 26 HE1 HIS 26 -5.241 -5.913 -2.962
230 H THR 27 HN THR 27 -8.567 -0.572 0.993
231 HA THR 27 HA THR 27 -11.392 -0.533 1.462
232 HB THR 27 HB THR 27 -10.656 -2.415 2.934
233 HG1 THR 27 HG1 THR 27 -12.485 -1.369 3.599
234 HG21 THR 27 HG21 THR 27 -9.397 -1.902 4.976
235 HG22 THR 27 HG22 THR 27 -9.155 -0.250 4.409
236 HG23 THR 27 HG23 THR 27 -8.431 -1.596 3.530
237 H GLY 28 HN GLY 28 -12.046 1.357 2.559
238 HA2 GLY 28 HA2 GLY 28 -11.067 3.331 3.867
239 HA3 GLY 28 HA1 GLY 28 -9.950 3.423 2.512
240 H GLU 29 HN GLU 29 -13.439 2.877 2.752
241 HA GLU 29 HA GLU 29 -13.891 4.563 0.452
242 HB2 GLU 29 HB2 GLU 29 -15.813 3.032 2.218
243 HB3 GLU 29 HB1 GLU 29 -16.265 3.885 0.752
244 HG2 GLU 29 HG2 GLU 29 -14.893 2.409 -0.578
245 HG3 GLU 29 HG1 GLU 29 -14.321 1.589 0.872
246 H LYS 30 HN LYS 30 -13.005 6.452 1.635
247 HA LYS 30 HA LYS 30 -14.451 7.570 3.830
248 HB2 LYS 30 HB2 LYS 30 -12.431 8.860 1.984
249 HB3 LYS 30 HB1 LYS 30 -12.987 9.521 3.513
250 HG2 LYS 30 HG2 LYS 30 -11.426 6.972 3.139
251 HG3 LYS 30 HG1 LYS 30 -10.799 8.503 3.749
252 HD2 LYS 30 HD2 LYS 30 -12.954 6.842 5.058
253 HD3 LYS 30 HD1 LYS 30 -11.266 6.907 5.560
254 HE2 LYS 30 HE2 LYS 30 -11.508 9.309 6.008
255 HE3 LYS 30 HE1 LYS 30 -13.204 9.218 5.533
256 HZ1 LYS 30 HZ1 LYS 30 -13.559 7.635 7.347
257 HZ2 LYS 30 HZ2 LYS 30 -13.011 9.128 7.911
258 HZ3 LYS 30 HZ3 LYS 30 -11.947 7.815 7.830
259 HN1 NH2 31 HN1 NH2 31 -16.558 7.814 3.213
260 HN2 NH2 31 HN2 NH2 31 -17.086 8.968 2.035
Start of MODEL 9
1 H1 ARG 1 HT1 ARG 1 13.207 0.645 4.101
2 H2 ARG 1 HT2 ARG 1 14.236 -0.034 2.947
3 H3 ARG 1 HT3 ARG 1 14.385 -0.474 4.571
4 HA ARG 1 HA ARG 1 13.289 -2.188 3.269
5 HB2 ARG 1 HB2 ARG 1 11.331 -2.482 4.727
6 HB3 ARG 1 HB1 ARG 1 12.733 -1.967 5.651
7 HG2 ARG 1 HG2 ARG 1 11.883 0.250 5.860
8 HG3 ARG 1 HG1 ARG 1 10.589 -0.080 4.708
9 HD2 ARG 1 HD2 ARG 1 9.602 -1.684 6.252
10 HD3 ARG 1 HD1 ARG 1 10.911 -1.408 7.398
11 HE ARG 1 HE ARG 1 10.036 1.006 7.340
12 HH11 ARG 1 HH11 ARG 1 6.623 -1.081 7.709
13 HH12 ARG 1 HH12 ARG 1 8.007 -1.829 6.977
14 HH21 ARG 1 HH21 ARG 1 8.199 1.996 8.280
15 HH22 ARG 1 HH22 ARG 1 6.725 1.094 8.426
16 HA PRO 2 HA PRO 2 10.406 -0.647 0.213
17 HB2 PRO 2 HB2 PRO 2 9.651 -3.001 -0.846
18 HB3 PRO 2 HB1 PRO 2 11.248 -2.307 -1.161
19 HG2 PRO 2 HG2 PRO 2 10.462 -4.488 0.726
20 HG3 PRO 2 HG1 PRO 2 11.899 -4.359 -0.304
21 HD2 PRO 2 HD2 PRO 2 11.856 -3.781 2.394
22 HD3 PRO 2 HD1 PRO 2 13.038 -3.119 1.248
23 H PHE 3 HN PHE 3 8.297 -0.138 0.395
24 HA PHE 3 HA PHE 3 6.824 -1.295 2.599
25 HB2 PHE 3 HB2 PHE 3 6.155 0.976 0.717
26 HB3 PHE 3 HB1 PHE 3 5.178 0.499 2.101
27 HD1 PHE 3 HD1 PHE 3 8.112 2.290 0.993
28 HD2 PHE 3 HD2 PHE 3 6.086 0.711 4.382
29 HE1 PHE 3 HE1 PHE 3 9.490 3.696 2.466
30 HE2 PHE 3 HE2 PHE 3 7.459 2.116 5.861
31 HZ PHE 3 HZ PHE 3 9.166 3.610 4.903
32 H NLE 4 HN NLE 4 6.158 -3.271 2.082
33 HA NLE 4 HA NLE 4 4.984 -3.783 -0.542
34 HB2 NLE 4 HB1 NLE 4 5.733 -5.703 1.671
35 HB3 NLE 4 HB2 NLE 4 6.785 -5.258 0.338
36 HG2 NLE 4 HG1 NLE 4 5.186 -6.244 -1.241
37 HG3 NLE 4 HG2 NLE 4 4.158 -6.713 0.116
38 HD2 NLE 4 HD1 NLE 4 5.945 -8.119 1.004
39 HD3 NLE 4 HD2 NLE 4 7.001 -7.636 -0.332
40 HE1 NLE 4 HE1 NLE 4 4.385 -9.114 -0.579
41 HE2 NLE 4 HE2 NLE 4 5.993 -9.810 -0.772
42 HE3 NLE 4 HE3 NLE 4 5.407 -8.608 -1.922
43 H CYS 5 HN CYS 5 2.883 -4.118 -0.856
44 HA CYS 5 HA CYS 5 0.957 -3.781 1.172
45 HB2 CYS 5 HB2 CYS 5 0.376 -3.303 -1.121
46 HB3 CYS 5 HB1 CYS 5 0.724 -4.959 -1.600
47 H THR 6 HN THR 6 -0.290 -5.244 2.282
48 HA THR 6 HA THR 6 0.711 -8.006 2.266
49 HB THR 6 HB THR 6 -0.053 -7.958 4.724
50 HG1 THR 6 HG1 THR 6 -0.685 -6.082 5.491
51 HG21 THR 6 HG21 THR 6 2.293 -8.062 4.072
52 HG22 THR 6 HG22 THR 6 2.089 -6.978 5.448
53 HG23 THR 6 HG23 THR 6 2.320 -6.315 3.831
54 H TRP 7 HN TRP 7 -1.530 -6.932 0.735
55 HA TRP 7 HA TRP 7 -3.809 -8.195 2.083
56 HB2 TRP 7 HB2 TRP 7 -3.832 -5.794 1.012
57 HB3 TRP 7 HB1 TRP 7 -4.049 -6.682 -0.487
58 HD1 TRP 7 HD1 TRP 7 -6.299 -8.316 -0.564
59 HE1 TRP 7 HE1 TRP 7 -8.617 -7.913 0.488
60 HE3 TRP 7 HE3 TRP 7 -5.004 -4.776 2.866
61 HZ2 TRP 7 HZ2 TRP 7 -9.740 -6.291 2.512
62 HZ3 TRP 7 HZ3 TRP 7 -6.755 -3.838 4.323
63 HH2 TRP 7 HH2 TRP 7 -9.073 -4.581 4.145
64 H ORN 8 HT1 ORN 8 -0.987 -13.331 -4.366
65 HA ORN 8 HA ORN 8 -3.123 -11.974 -2.841
66 HB2 ORN 8 HB1 ORN 8 -0.368 -12.905 -1.996
67 HB3 ORN 8 HB2 ORN 8 -1.900 -13.566 -1.445
68 HG2 ORN 8 HG1 ORN 8 -1.000 -10.735 -0.966
69 HG3 ORN 8 HG2 ORN 8 -0.817 -12.057 0.188
70 HD2 ORN 8 HD1 ORN 8 -3.133 -12.261 0.500
71 HD3 ORN 8 HD2 ORN 8 -3.497 -11.342 -0.958
72 HE1 ORN 8 HE ORN 8 -2.639 -10.236 1.611
73 HT3 ORN 8 HT3 ORN 8 -2.409 -14.060 -3.811
74 H CYS 9 HN CYS 9 -2.911 -9.788 -2.666
75 HA CYS 9 HA CYS 9 -1.249 -8.498 -4.609
76 HB2 CYS 9 HB2 CYS 9 -3.537 -7.721 -4.087
77 HB3 CYS 9 HB1 CYS 9 -3.013 -7.310 -2.459
78 H GLY 10 HN GLY 10 0.792 -7.927 -4.303
79 HA2 GLY 10 HA2 GLY 10 1.653 -6.995 -1.672
80 HA3 GLY 10 HA1 GLY 10 2.484 -8.377 -2.363
81 H LYS 11 HN LYS 11 1.316 -5.332 -3.796
82 HA LYS 11 HA LYS 11 3.691 -4.917 -5.287
83 HB2 LYS 11 HB2 LYS 11 1.354 -3.161 -4.588
84 HB3 LYS 11 HB1 LYS 11 2.757 -2.497 -5.415
85 HG2 LYS 11 HG2 LYS 11 2.440 -4.209 -7.191
86 HG3 LYS 11 HG1 LYS 11 0.944 -4.690 -6.388
87 HD2 LYS 11 HD2 LYS 11 -0.026 -2.536 -6.739
88 HD3 LYS 11 HD1 LYS 11 1.508 -1.880 -7.313
89 HE2 LYS 11 HE2 LYS 11 0.047 -2.302 -9.193
90 HE3 LYS 11 HE1 LYS 11 1.413 -3.411 -9.241
91 HZ1 LYS 11 HZ1 LYS 11 -1.293 -4.083 -8.224
92 HZ2 LYS 11 HZ2 LYS 11 0.014 -5.147 -8.349
93 HZ3 LYS 11 HZ3 LYS 11 -0.689 -4.506 -9.744
94 H ARG 12 HN ARG 12 5.433 -3.576 -4.930
95 HA ARG 12 HA ARG 12 5.807 -2.792 -2.122
96 HB2 ARG 12 HB2 ARG 12 7.867 -3.521 -4.212
97 HB3 ARG 12 HB1 ARG 12 8.243 -2.976 -2.583
98 HG2 ARG 12 HG2 ARG 12 7.050 -4.929 -1.683
99 HG3 ARG 12 HG1 ARG 12 6.755 -5.484 -3.330
100 HD2 ARG 12 HD2 ARG 12 9.155 -5.665 -3.712
101 HD3 ARG 12 HD1 ARG 12 9.472 -5.057 -2.086
102 HE ARG 12 HE ARG 12 7.845 -7.462 -2.305
103 HH11 ARG 12 HH11 ARG 12 11.019 -6.098 -1.752
104 HH12 ARG 12 HH12 ARG 12 11.599 -7.475 -0.876
105 HH21 ARG 12 HH21 ARG 12 10.224 -9.292 -0.534
106 HH22 ARG 12 HH22 ARG 12 8.609 -9.284 -1.161
107 H PHE 13 HN PHE 13 6.198 -0.767 -1.615
108 HA PHE 13 HA PHE 13 6.500 1.189 -3.796
109 HB2 PHE 13 HB2 PHE 13 5.081 1.519 -1.140
110 HB3 PHE 13 HB1 PHE 13 5.189 2.728 -2.418
111 HD1 PHE 13 HD1 PHE 13 3.972 2.419 -4.522
112 HD2 PHE 13 HD2 PHE 13 3.540 -0.287 -1.272
113 HE1 PHE 13 HE1 PHE 13 1.915 1.536 -5.540
114 HE2 PHE 13 HE2 PHE 13 1.481 -1.174 -2.280
115 HZ PHE 13 HZ PHE 13 0.690 -0.294 -4.434
116 H THR 14 HN THR 14 7.436 3.313 -2.965
117 HA THR 14 HA THR 14 9.809 2.647 -1.381
118 HB THR 14 HB THR 14 10.575 4.948 -2.297
119 HG1 THR 14 HG1 THR 14 8.136 4.903 -3.301
120 HG21 THR 14 HG21 THR 14 10.217 2.587 -4.145
121 HG22 THR 14 HG22 THR 14 11.539 2.817 -3.004
122 HG23 THR 14 HG23 THR 14 11.361 3.905 -4.378
123 H ARG 15 HN ARG 15 6.888 4.391 -1.155
124 HA ARG 15 HA ARG 15 7.855 5.641 1.325
125 HB2 ARG 15 HB2 ARG 15 5.953 6.964 -0.621
126 HB3 ARG 15 HB1 ARG 15 6.586 7.660 0.862
127 HG2 ARG 15 HG2 ARG 15 8.846 7.608 -0.102
128 HG3 ARG 15 HG1 ARG 15 8.174 6.972 -1.603
129 HD2 ARG 15 HD2 ARG 15 8.488 9.332 -1.858
130 HD3 ARG 15 HD1 ARG 15 6.759 9.012 -1.758
131 HE ARG 15 HE ARG 15 7.673 9.578 0.816
132 HH11 ARG 15 HH11 ARG 15 7.260 11.211 -2.257
133 HH12 ARG 15 HH12 ARG 15 7.073 12.779 -1.541
134 HH21 ARG 15 HH21 ARG 15 7.417 11.638 1.758
135 HH22 ARG 15 HH22 ARG 15 7.159 13.022 0.747
136 H SER 16 HN SER 16 6.425 5.670 3.012
137 HA SER 16 HA SER 16 4.534 3.639 3.200
138 HB2 SER 16 HB2 SER 16 4.639 6.143 4.899
139 HB3 SER 16 HB1 SER 16 3.951 4.583 5.348
140 HG SER 16 HG SER 16 6.618 5.384 5.188
141 H ASP 17 HN ASP 17 4.158 7.003 2.281
142 HA ASP 17 HA ASP 17 1.342 7.129 2.491
143 HB2 ASP 17 HB2 ASP 17 2.782 9.135 2.348
144 HB3 ASP 17 HB1 ASP 17 3.149 8.735 0.676
145 H GLU 18 HN GLU 18 3.512 6.150 -0.096
146 HA GLU 18 HA GLU 18 1.626 5.882 -2.162
147 HB2 GLU 18 HB2 GLU 18 4.127 4.275 -1.621
148 HB3 GLU 18 HB1 GLU 18 3.217 4.221 -3.121
149 HG2 GLU 18 HG2 GLU 18 3.720 6.604 -3.470
150 HG3 GLU 18 HG1 GLU 18 4.685 6.587 -1.994
151 H LEU 19 HN LEU 19 2.806 3.636 0.285
152 HA LEU 19 HA LEU 19 1.211 1.445 -0.510
153 HB2 LEU 19 HB2 LEU 19 3.189 1.108 0.821
154 HB3 LEU 19 HB1 LEU 19 2.540 2.097 2.112
155 HG LEU 19 HG LEU 19 0.801 0.422 2.544
156 HD11 LEU 19 HD11 LEU 19 0.898 -1.760 1.455
157 HD12 LEU 19 HD12 LEU 19 2.193 -1.190 0.405
158 HD13 LEU 19 HD13 LEU 19 0.582 -0.480 0.286
159 HD21 LEU 19 HD21 LEU 19 2.992 0.332 3.693
160 HD22 LEU 19 HD22 LEU 19 3.553 -0.810 2.470
161 HD23 LEU 19 HD23 LEU 19 2.219 -1.246 3.539
162 H GLN 20 HN GLN 20 0.732 3.972 1.932
163 HA GLN 20 HA GLN 20 -1.674 2.950 2.981
164 HB2 GLN 20 HB2 GLN 20 -0.466 5.700 2.930
165 HB3 GLN 20 HB1 GLN 20 -2.037 5.401 3.661
166 HG2 GLN 20 HG2 GLN 20 0.526 4.035 4.449
167 HG3 GLN 20 HG1 GLN 20 -0.208 5.397 5.297
168 HE21 GLN 20 HE21 GLN 20 -0.430 2.011 4.583
169 HE22 GLN 20 HE22 GLN 20 -1.647 1.631 5.751
170 H ARG 21 HN ARG 21 -1.063 5.358 0.458
171 HA ARG 21 HA ARG 21 -3.718 5.882 -0.251
172 HB2 ARG 21 HB2 ARG 21 -1.990 7.277 -1.126
173 HB3 ARG 21 HB1 ARG 21 -1.163 5.910 -1.854
174 HG2 ARG 21 HG2 ARG 21 -3.023 5.631 -3.421
175 HG3 ARG 21 HG1 ARG 21 -3.821 7.028 -2.699
176 HD2 ARG 21 HD2 ARG 21 -2.119 8.498 -3.439
177 HD3 ARG 21 HD1 ARG 21 -1.057 7.161 -3.875
178 HE ARG 21 HE ARG 21 -3.247 6.769 -5.428
179 HH11 ARG 21 HH11 ARG 21 -1.136 9.522 -4.914
180 HH12 ARG 21 HH12 ARG 21 -1.287 10.094 -6.544
181 HH21 ARG 21 HH21 ARG 21 -3.441 7.520 -7.570
182 HH22 ARG 21 HH22 ARG 21 -2.608 8.963 -8.051
183 H HIS 22 HN HIS 22 -1.454 3.419 -1.410
184 HA HIS 22 HA HIS 22 -3.103 2.180 -3.279
185 HB2 HIS 22 HB2 HIS 22 -0.785 1.609 -3.239
186 HB3 HIS 22 HB1 HIS 22 -0.862 1.126 -1.550
187 HD1 HIS 22 HD1 HIS 22 -1.543 -0.153 -5.023
188 HD2 HIS 22 HD2 HIS 22 -1.904 -1.392 -1.058
189 HE1 HIS 22 HE1 HIS 22 -2.118 -2.636 -5.080
190 H LYS 23 HN LYS 23 -2.701 1.522 0.187
191 HA LYS 23 HA LYS 23 -4.387 -0.685 0.380
192 HB2 LYS 23 HB2 LYS 23 -3.630 1.428 2.379
193 HB3 LYS 23 HB1 LYS 23 -4.654 0.068 2.805
194 HG2 LYS 23 HG2 LYS 23 -1.884 -0.208 1.668
195 HG3 LYS 23 HG1 LYS 23 -2.252 -0.208 3.392
196 HD2 LYS 23 HD2 LYS 23 -3.797 -2.139 2.960
197 HD3 LYS 23 HD1 LYS 23 -3.160 -2.195 1.317
198 HE2 LYS 23 HE2 LYS 23 -2.021 -3.808 2.728
199 HE3 LYS 23 HE1 LYS 23 -0.909 -2.546 2.200
200 HZ1 LYS 23 HZ1 LYS 23 -1.135 -1.481 4.350
201 HZ2 LYS 23 HZ2 LYS 23 -0.634 -3.083 4.550
202 HZ3 LYS 23 HZ3 LYS 23 -2.241 -2.656 4.854
203 H ARG 24 HN ARG 24 -5.178 2.688 0.085
204 HA ARG 24 HA ARG 24 -7.774 2.587 1.173
205 HB2 ARG 24 HB2 ARG 24 -6.692 4.394 -0.993
206 HB3 ARG 24 HB1 ARG 24 -8.230 4.622 -0.172
207 HG2 ARG 24 HG2 ARG 24 -6.912 4.705 1.985
208 HG3 ARG 24 HG1 ARG 24 -5.467 4.819 0.982
209 HD2 ARG 24 HD2 ARG 24 -7.803 6.723 0.977
210 HD3 ARG 24 HD1 ARG 24 -6.215 7.026 1.677
211 HE ARG 24 HE ARG 24 -6.302 6.428 -1.174
212 HH11 ARG 24 HH11 ARG 24 -5.486 10.075 0.312
213 HH12 ARG 24 HH12 ARG 24 -6.032 8.816 1.370
214 HH21 ARG 24 HH21 ARG 24 -5.577 8.084 -2.583
215 HH22 ARG 24 HH22 ARG 24 -5.216 9.658 -1.942
216 H THR 25 HN THR 25 -6.507 1.497 -1.874
217 HA THR 25 HA THR 25 -9.032 1.389 -3.208
218 HB THR 25 HB THR 25 -7.919 0.062 -4.921
219 HG1 THR 25 HG1 THR 25 -5.631 0.091 -3.206
220 HG21 THR 25 HG21 THR 25 -7.604 2.475 -4.984
221 HG22 THR 25 HG22 THR 25 -6.151 1.652 -5.549
222 HG23 THR 25 HG23 THR 25 -6.201 2.336 -3.925
223 H HIS 26 HN HIS 26 -7.302 -0.715 -1.044
224 HA HIS 26 HA HIS 26 -9.046 -2.974 -1.525
225 HB2 HIS 26 HB2 HIS 26 -7.034 -2.430 0.667
226 HB3 HIS 26 HB1 HIS 26 -7.965 -3.914 0.537
227 HD1 HIS 26 HD1 HIS 26 -7.535 -5.148 -2.009
228 HD2 HIS 26 HD2 HIS 26 -4.615 -2.659 -0.369
229 HE1 HIS 26 HE1 HIS 26 -5.329 -5.769 -3.127
230 H THR 27 HN THR 27 -8.710 -0.343 0.742
231 HA THR 27 HA THR 27 -10.536 -1.228 2.684
232 HB THR 27 HB THR 27 -9.887 1.651 2.018
233 HG1 THR 27 HG1 THR 27 -7.972 0.369 2.345
234 HG21 THR 27 HG21 THR 27 -10.329 2.030 4.394
235 HG22 THR 27 HG22 THR 27 -10.704 0.320 4.606
236 HG23 THR 27 HG23 THR 27 -11.742 1.332 3.601
237 H GLY 28 HN GLY 28 -10.962 0.651 -0.277
238 HA2 GLY 28 HA2 GLY 28 -13.659 -0.135 -0.533
239 HA3 GLY 28 HA1 GLY 28 -13.586 1.496 0.118
240 H GLU 29 HN GLU 29 -14.780 1.826 -1.966
241 HA GLU 29 HA GLU 29 -12.859 2.667 -3.995
242 HB2 GLU 29 HB2 GLU 29 -13.688 0.504 -4.775
243 HB3 GLU 29 HB1 GLU 29 -15.347 1.042 -4.561
244 HG2 GLU 29 HG2 GLU 29 -15.153 2.612 -6.334
245 HG3 GLU 29 HG1 GLU 29 -13.415 2.346 -6.457
246 H LYS 30 HN LYS 30 -16.016 2.865 -2.534
247 HA LYS 30 HA LYS 30 -17.078 4.970 -4.051
248 HB2 LYS 30 HB2 LYS 30 -17.569 4.155 -1.182
249 HB3 LYS 30 HB1 LYS 30 -18.544 5.331 -2.055
250 HG2 LYS 30 HG2 LYS 30 -19.340 3.690 -3.562
251 HG3 LYS 30 HG1 LYS 30 -18.154 2.508 -3.006
252 HD2 LYS 30 HD2 LYS 30 -20.365 2.019 -2.104
253 HD3 LYS 30 HD1 LYS 30 -19.238 2.445 -0.820
254 HE2 LYS 30 HE2 LYS 30 -20.158 4.706 -0.752
255 HE3 LYS 30 HE1 LYS 30 -21.268 4.301 -2.059
256 HZ1 LYS 30 HZ1 LYS 30 -22.302 2.659 -0.633
257 HZ2 LYS 30 HZ2 LYS 30 -22.341 4.179 0.103
258 HZ3 LYS 30 HZ3 LYS 30 -21.224 3.019 0.621
259 HN1 NH2 31 HN1 NH2 31 -15.828 5.193 -0.739
260 HN2 NH2 31 HN2 NH2 31 -15.158 6.776 -0.907
Start of MODEL 10
1 H1 ARG 1 HT1 ARG 1 14.295 0.187 3.054
2 H2 ARG 1 HT2 ARG 1 14.775 -0.625 4.455
3 H3 ARG 1 HT3 ARG 1 13.418 0.386 4.484
4 HA ARG 1 HA ARG 1 13.677 -2.124 2.938
5 HB2 ARG 1 HB2 ARG 1 12.009 -1.468 5.377
6 HB3 ARG 1 HB1 ARG 1 11.949 -2.979 4.483
7 HG2 ARG 1 HG2 ARG 1 14.219 -3.489 5.114
8 HG3 ARG 1 HG1 ARG 1 14.378 -1.925 5.913
9 HD2 ARG 1 HD2 ARG 1 12.623 -2.550 7.496
10 HD3 ARG 1 HD1 ARG 1 12.450 -4.111 6.695
11 HE ARG 1 HE ARG 1 15.113 -3.874 7.425
12 HH11 ARG 1 HH11 ARG 1 12.627 -4.733 10.460
13 HH12 ARG 1 HH12 ARG 1 12.009 -3.979 9.027
14 HH21 ARG 1 HH21 ARG 1 15.942 -4.871 9.314
15 HH22 ARG 1 HH22 ARG 1 14.866 -5.245 10.624
16 HA PRO 2 HA PRO 2 10.460 -0.234 0.494
17 HB2 PRO 2 HB2 PRO 2 9.641 -2.450 -0.847
18 HB3 PRO 2 HB1 PRO 2 11.128 -1.579 -1.244
19 HG2 PRO 2 HG2 PRO 2 10.763 -4.079 0.355
20 HG3 PRO 2 HG1 PRO 2 12.002 -3.692 -0.852
21 HD2 PRO 2 HD2 PRO 2 12.460 -3.550 1.820
22 HD3 PRO 2 HD1 PRO 2 13.272 -2.490 0.652
23 H PHE 3 HN PHE 3 8.279 -0.018 0.570
24 HA PHE 3 HA PHE 3 6.939 -1.367 2.769
25 HB2 PHE 3 HB2 PHE 3 6.027 0.902 0.981
26 HB3 PHE 3 HB1 PHE 3 5.178 0.319 2.402
27 HD1 PHE 3 HD1 PHE 3 7.919 2.322 1.164
28 HD2 PHE 3 HD2 PHE 3 6.113 0.681 4.649
29 HE1 PHE 3 HE1 PHE 3 9.206 3.881 2.562
30 HE2 PHE 3 HE2 PHE 3 7.396 2.239 6.053
31 HZ PHE 3 HZ PHE 3 8.946 3.827 5.030
32 H NLE 4 HN NLE 4 5.989 -3.244 2.331
33 HA NLE 4 HA NLE 4 5.008 -3.723 -0.391
34 HB2 NLE 4 HB1 NLE 4 5.757 -5.662 1.804
35 HB3 NLE 4 HB2 NLE 4 6.728 -5.276 0.394
36 HG2 NLE 4 HG1 NLE 4 5.064 -6.276 -1.061
37 HG3 NLE 4 HG2 NLE 4 4.032 -6.615 0.330
38 HD2 NLE 4 HD1 NLE 4 5.783 -8.074 1.261
39 HD3 NLE 4 HD2 NLE 4 6.784 -7.757 -0.164
40 HE1 NLE 4 HE1 NLE 4 4.054 -9.037 -0.177
41 HE2 NLE 4 HE2 NLE 4 5.592 -9.879 -0.376
42 HE3 NLE 4 HE3 NLE 4 5.057 -8.721 -1.594
43 H CYS 5 HN CYS 5 2.911 -4.103 -0.783
44 HA CYS 5 HA CYS 5 0.946 -3.781 1.232
45 HB2 CYS 5 HB2 CYS 5 0.407 -3.214 -1.053
46 HB3 CYS 5 HB1 CYS 5 0.746 -4.856 -1.584
47 H THR 6 HN THR 6 -0.115 -5.239 2.458
48 HA THR 6 HA THR 6 0.824 -8.012 2.277
49 HB THR 6 HB THR 6 -0.005 -8.073 4.718
50 HG1 THR 6 HG1 THR 6 0.550 -5.377 4.928
51 HG21 THR 6 HG21 THR 6 2.118 -7.125 5.532
52 HG22 THR 6 HG22 THR 6 2.384 -6.390 3.951
53 HG23 THR 6 HG23 THR 6 2.354 -8.146 4.116
54 H TRP 7 HN TRP 7 -1.560 -6.660 0.922
55 HA TRP 7 HA TRP 7 -3.772 -8.103 2.164
56 HB2 TRP 7 HB2 TRP 7 -3.891 -5.677 1.273
57 HB3 TRP 7 HB1 TRP 7 -3.971 -6.419 -0.317
58 HD1 TRP 7 HD1 TRP 7 -6.112 -8.227 -0.619
59 HE1 TRP 7 HE1 TRP 7 -8.519 -7.980 0.265
60 HE3 TRP 7 HE3 TRP 7 -5.269 -4.751 3.015
61 HZ2 TRP 7 HZ2 TRP 7 -9.879 -6.492 2.249
62 HZ3 TRP 7 HZ3 TRP 7 -7.172 -3.957 4.362
63 HH2 TRP 7 HH2 TRP 7 -9.428 -4.810 3.986
64 H ORN 8 HT1 ORN 8 -1.564 -13.396 -4.428
65 HA ORN 8 HA ORN 8 -3.486 -11.822 -2.831
66 HB2 ORN 8 HB1 ORN 8 -0.701 -12.790 -2.139
67 HB3 ORN 8 HB2 ORN 8 -2.196 -13.453 -1.491
68 HG2 ORN 8 HG1 ORN 8 -1.284 -10.611 -1.111
69 HG3 ORN 8 HG2 ORN 8 -1.043 -11.913 0.056
70 HD2 ORN 8 HD1 ORN 8 -3.367 -12.142 0.432
71 HD3 ORN 8 HD2 ORN 8 -3.767 -11.156 -0.971
72 HE1 ORN 8 HE ORN 8 -2.940 -10.206 1.645
73 HT3 ORN 8 HT3 ORN 8 -2.980 -13.996 -3.723
74 H CYS 9 HN CYS 9 -2.942 -9.649 -2.557
75 HA CYS 9 HA CYS 9 -1.307 -8.516 -4.667
76 HB2 CYS 9 HB2 CYS 9 -3.524 -7.576 -4.174
77 HB3 CYS 9 HB1 CYS 9 -3.013 -7.227 -2.528
78 H GLY 10 HN GLY 10 0.714 -7.708 -4.370
79 HA2 GLY 10 HA2 GLY 10 1.629 -7.079 -1.675
80 HA3 GLY 10 HA1 GLY 10 2.448 -8.396 -2.497
81 H LYS 11 HN LYS 11 1.248 -5.339 -3.818
82 HA LYS 11 HA LYS 11 3.555 -4.837 -5.334
83 HB2 LYS 11 HB2 LYS 11 1.385 -2.966 -4.378
84 HB3 LYS 11 HB1 LYS 11 2.653 -2.488 -5.499
85 HG2 LYS 11 HG2 LYS 11 1.870 -4.324 -7.015
86 HG3 LYS 11 HG1 LYS 11 0.493 -4.533 -5.931
87 HD2 LYS 11 HD2 LYS 11 -0.163 -2.208 -6.306
88 HD3 LYS 11 HD1 LYS 11 1.224 -1.984 -7.374
89 HE2 LYS 11 HE2 LYS 11 0.323 -3.717 -8.870
90 HE3 LYS 11 HE1 LYS 11 -1.074 -3.889 -7.811
91 HZ1 LYS 11 HZ1 LYS 11 -1.561 -2.473 -9.706
92 HZ2 LYS 11 HZ2 LYS 11 -0.314 -1.418 -9.275
93 HZ3 LYS 11 HZ3 LYS 11 -1.659 -1.592 -8.265
94 H ARG 12 HN ARG 12 5.327 -3.538 -5.025
95 HA ARG 12 HA ARG 12 5.909 -2.835 -2.236
96 HB2 ARG 12 HB2 ARG 12 7.786 -3.071 -4.600
97 HB3 ARG 12 HB1 ARG 12 8.265 -2.735 -2.943
98 HG2 ARG 12 HG2 ARG 12 7.477 -4.927 -2.254
99 HG3 ARG 12 HG1 ARG 12 6.945 -5.263 -3.902
100 HD2 ARG 12 HD2 ARG 12 9.781 -4.778 -2.983
101 HD3 ARG 12 HD1 ARG 12 9.090 -6.314 -3.505
102 HE ARG 12 HE ARG 12 9.370 -3.991 -5.308
103 HH11 ARG 12 HH11 ARG 12 9.778 -7.409 -4.634
104 HH12 ARG 12 HH12 ARG 12 10.253 -7.794 -6.253
105 HH21 ARG 12 HH21 ARG 12 10.380 -6.148 -7.845
106 HH22 ARG 12 HH22 ARG 12 10.006 -4.504 -7.426
107 H PHE 13 HN PHE 13 6.487 -0.810 -1.631
108 HA PHE 13 HA PHE 13 6.443 1.307 -3.671
109 HB2 PHE 13 HB2 PHE 13 5.116 1.432 -0.954
110 HB3 PHE 13 HB1 PHE 13 5.130 2.711 -2.165
111 HD1 PHE 13 HD1 PHE 13 3.797 2.509 -4.194
112 HD2 PHE 13 HD2 PHE 13 3.669 -0.449 -1.145
113 HE1 PHE 13 HE1 PHE 13 1.734 1.591 -5.171
114 HE2 PHE 13 HE2 PHE 13 1.607 -1.369 -2.111
115 HZ PHE 13 HZ PHE 13 0.637 -0.346 -4.129
116 H THR 14 HN THR 14 7.789 3.064 -3.251
117 HA THR 14 HA THR 14 9.943 2.558 -1.381
118 HB THR 14 HB THR 14 9.575 4.946 -3.209
119 HG1 THR 14 HG1 THR 14 9.809 2.456 -3.945
120 HG21 THR 14 HG21 THR 14 12.027 5.082 -3.086
121 HG22 THR 14 HG22 THR 14 12.047 3.719 -1.970
122 HG23 THR 14 HG23 THR 14 11.294 5.239 -1.490
123 H ARG 15 HN ARG 15 6.981 4.146 -1.321
124 HA ARG 15 HA ARG 15 7.800 5.743 1.003
125 HB2 ARG 15 HB2 ARG 15 6.002 6.641 -1.258
126 HB3 ARG 15 HB1 ARG 15 6.262 7.541 0.227
127 HG2 ARG 15 HG2 ARG 15 8.609 7.799 -0.305
128 HG3 ARG 15 HG1 ARG 15 8.409 6.816 -1.754
129 HD2 ARG 15 HD2 ARG 15 6.950 9.404 -1.260
130 HD3 ARG 15 HD1 ARG 15 8.459 9.282 -2.158
131 HE ARG 15 HE ARG 15 6.619 7.484 -3.273
132 HH11 ARG 15 HH11 ARG 15 7.099 10.935 -2.921
133 HH12 ARG 15 HH12 ARG 15 6.269 11.335 -4.390
134 HH21 ARG 15 HH21 ARG 15 5.516 8.008 -5.219
135 HH22 ARG 15 HH22 ARG 15 5.371 9.674 -5.699
136 H SER 16 HN SER 16 6.446 5.679 2.706
137 HA SER 16 HA SER 16 4.632 3.524 2.858
138 HB2 SER 16 HB2 SER 16 4.133 4.648 5.154
139 HB3 SER 16 HB1 SER 16 5.744 3.997 4.855
140 HG SER 16 HG SER 16 4.979 6.552 5.342
141 H ASP 17 HN ASP 17 4.202 6.954 2.317
142 HA ASP 17 HA ASP 17 1.401 7.023 2.761
143 HB2 ASP 17 HB2 ASP 17 2.752 9.074 2.701
144 HB3 ASP 17 HB1 ASP 17 3.095 8.804 0.998
145 H GLU 18 HN GLU 18 3.391 6.164 0.018
146 HA GLU 18 HA GLU 18 1.294 6.051 -1.887
147 HB2 GLU 18 HB2 GLU 18 3.962 4.645 -1.794
148 HB3 GLU 18 HB1 GLU 18 2.863 4.570 -3.164
149 HG2 GLU 18 HG2 GLU 18 3.025 7.028 -3.360
150 HG3 GLU 18 HG1 GLU 18 4.224 7.011 -2.067
151 H LEU 19 HN LEU 19 2.747 3.724 0.329
152 HA LEU 19 HA LEU 19 1.217 1.498 -0.468
153 HB2 LEU 19 HB2 LEU 19 3.179 1.179 0.870
154 HB3 LEU 19 HB1 LEU 19 2.526 2.169 2.159
155 HG LEU 19 HG LEU 19 0.810 0.478 2.616
156 HD11 LEU 19 HD11 LEU 19 0.883 -1.691 1.512
157 HD12 LEU 19 HD12 LEU 19 2.175 -1.126 0.456
158 HD13 LEU 19 HD13 LEU 19 0.568 -0.403 0.350
159 HD21 LEU 19 HD21 LEU 19 2.229 -1.167 3.607
160 HD22 LEU 19 HD22 LEU 19 3.056 0.389 3.703
161 HD23 LEU 19 HD23 LEU 19 3.535 -0.797 2.487
162 H GLN 20 HN GLN 20 0.671 3.926 2.078
163 HA GLN 20 HA GLN 20 -1.753 2.884 3.026
164 HB2 GLN 20 HB2 GLN 20 -0.598 4.617 4.257
165 HB3 GLN 20 HB1 GLN 20 -0.789 5.745 2.921
166 HG2 GLN 20 HG2 GLN 20 -3.228 5.651 3.226
167 HG3 GLN 20 HG1 GLN 20 -2.993 4.591 4.612
168 HE21 GLN 20 HE21 GLN 20 -3.973 6.022 6.001
169 HE22 GLN 20 HE22 GLN 20 -3.206 7.485 6.516
170 H ARG 21 HN ARG 21 -1.129 5.362 0.570
171 HA ARG 21 HA ARG 21 -3.754 5.881 -0.197
172 HB2 ARG 21 HB2 ARG 21 -1.829 7.212 -0.940
173 HB3 ARG 21 HB1 ARG 21 -1.265 5.861 -1.909
174 HG2 ARG 21 HG2 ARG 21 -3.356 6.011 -3.233
175 HG3 ARG 21 HG1 ARG 21 -3.772 7.463 -2.319
176 HD2 ARG 21 HD2 ARG 21 -1.722 8.538 -3.080
177 HD3 ARG 21 HD1 ARG 21 -1.287 7.092 -3.982
178 HE ARG 21 HE ARG 21 -3.487 8.929 -4.612
179 HH11 ARG 21 HH11 ARG 21 -1.470 6.212 -5.489
180 HH12 ARG 21 HH12 ARG 21 -1.885 6.283 -7.171
181 HH21 ARG 21 HH21 ARG 21 -4.019 9.036 -6.837
182 HH22 ARG 21 HH22 ARG 21 -3.332 7.881 -7.934
183 H HIS 22 HN HIS 22 -1.475 3.445 -1.357
184 HA HIS 22 HA HIS 22 -3.105 2.268 -3.294
185 HB2 HIS 22 HB2 HIS 22 -0.802 1.698 -3.327
186 HB3 HIS 22 HB1 HIS 22 -0.818 1.212 -1.635
187 HD1 HIS 22 HD1 HIS 22 -1.631 -0.077 -5.085
188 HD2 HIS 22 HD2 HIS 22 -1.795 -1.325 -1.108
189 HE1 HIS 22 HE1 HIS 22 -2.217 -2.557 -5.114
190 H LYS 23 HN LYS 23 -2.689 1.490 0.153
191 HA LYS 23 HA LYS 23 -4.372 -0.744 0.187
192 HB2 LYS 23 HB2 LYS 23 -3.578 1.191 2.344
193 HB3 LYS 23 HB1 LYS 23 -4.647 -0.168 2.661
194 HG2 LYS 23 HG2 LYS 23 -2.861 -1.680 1.801
195 HG3 LYS 23 HG1 LYS 23 -1.795 -0.276 1.718
196 HD2 LYS 23 HD2 LYS 23 -1.985 0.075 4.088
197 HD3 LYS 23 HD1 LYS 23 -3.199 -1.201 4.219
198 HE2 LYS 23 HE2 LYS 23 -1.516 -2.836 3.459
199 HE3 LYS 23 HE1 LYS 23 -0.312 -1.547 3.415
200 HZ1 LYS 23 HZ1 LYS 23 -1.779 -2.443 5.835
201 HZ2 LYS 23 HZ2 LYS 23 -0.598 -1.238 5.786
202 HZ3 LYS 23 HZ3 LYS 23 -0.182 -2.842 5.457
203 H ARG 24 HN ARG 24 -5.107 2.614 0.037
204 HA ARG 24 HA ARG 24 -7.761 2.428 1.040
205 HB2 ARG 24 HB2 ARG 24 -6.374 4.492 -0.658
206 HB3 ARG 24 HB1 ARG 24 -8.051 4.648 -0.151
207 HG2 ARG 24 HG2 ARG 24 -7.350 4.551 2.190
208 HG3 ARG 24 HG1 ARG 24 -5.669 4.402 1.677
209 HD2 ARG 24 HD2 ARG 24 -6.177 6.693 2.314
210 HD3 ARG 24 HD1 ARG 24 -5.807 6.593 0.595
211 HE ARG 24 HE ARG 24 -8.526 6.384 0.718
212 HH11 ARG 24 HH11 ARG 24 -6.189 8.709 1.896
213 HH12 ARG 24 HH12 ARG 24 -7.257 10.064 1.712
214 HH21 ARG 24 HH21 ARG 24 -9.387 9.754 0.916
215 HH22 ARG 24 HH22 ARG 24 -9.934 8.164 0.480
216 H THR 25 HN THR 25 -6.398 1.238 -1.801
217 HA THR 25 HA THR 25 -8.856 1.349 -3.327
218 HB THR 25 HB THR 25 -7.758 -0.128 -4.932
219 HG1 THR 25 HG1 THR 25 -5.426 -0.099 -3.310
220 HG21 THR 25 HG21 THR 25 -7.290 2.266 -5.079
221 HG22 THR 25 HG22 THR 25 -5.887 1.319 -5.578
222 HG23 THR 25 HG23 THR 25 -5.921 2.073 -3.983
223 H HIS 26 HN HIS 26 -7.187 -0.856 -1.167
224 HA HIS 26 HA HIS 26 -9.133 -2.967 -1.492
225 HB2 HIS 26 HB2 HIS 26 -7.055 -2.575 0.675
226 HB3 HIS 26 HB1 HIS 26 -8.002 -4.032 0.420
227 HD1 HIS 26 HD1 HIS 26 -7.488 -5.176 -2.126
228 HD2 HIS 26 HD2 HIS 26 -4.632 -2.683 -0.390
229 HE1 HIS 26 HE1 HIS 26 -5.260 -5.732 -3.233
230 H THR 27 HN THR 27 -8.891 -0.058 0.075
231 HA THR 27 HA THR 27 -9.984 1.088 1.663
232 HB THR 27 HB THR 27 -12.424 0.597 1.957
233 HG1 THR 27 HG1 THR 27 -11.771 -1.749 0.911
234 HG21 THR 27 HG21 THR 27 -13.015 1.266 -0.341
235 HG22 THR 27 HG22 THR 27 -11.376 0.873 -0.857
236 HG23 THR 27 HG23 THR 27 -11.649 2.181 0.295
237 H GLY 28 HN GLY 28 -8.281 -0.527 2.803
238 HA2 GLY 28 HA2 GLY 28 -9.241 -2.305 4.747
239 HA3 GLY 28 HA1 GLY 28 -7.733 -1.406 4.853
240 H GLU 29 HN GLU 29 -9.770 -2.027 6.930
241 HA GLU 29 HA GLU 29 -11.192 0.445 7.354
242 HB2 GLU 29 HB2 GLU 29 -12.116 -1.855 7.853
243 HB3 GLU 29 HB1 GLU 29 -11.015 -1.917 9.221
244 HG2 GLU 29 HG2 GLU 29 -12.086 -0.027 10.241
245 HG3 GLU 29 HG1 GLU 29 -13.117 0.197 8.825
246 H LYS 30 HN LYS 30 -9.918 2.084 7.921
247 HA LYS 30 HA LYS 30 -8.150 1.721 10.239
248 HB2 LYS 30 HB2 LYS 30 -8.140 3.775 8.023
249 HB3 LYS 30 HB1 LYS 30 -7.184 3.951 9.485
250 HG2 LYS 30 HG2 LYS 30 -6.957 1.687 7.513
251 HG3 LYS 30 HG1 LYS 30 -5.871 3.074 7.622
252 HD2 LYS 30 HD2 LYS 30 -5.403 2.398 9.994
253 HD3 LYS 30 HD1 LYS 30 -6.312 0.919 9.681
254 HE2 LYS 30 HE2 LYS 30 -3.852 1.824 8.195
255 HE3 LYS 30 HE1 LYS 30 -3.900 0.577 9.437
256 HZ1 LYS 30 HZ1 LYS 30 -5.326 0.471 6.836
257 HZ2 LYS 30 HZ2 LYS 30 -5.347 -0.731 8.022
258 HZ3 LYS 30 HZ3 LYS 30 -3.908 -0.368 7.214
259 HN1 NH2 31 HN1 NH2 31 -9.923 4.442 8.833
260 HN2 NH2 31 HN2 NH2 31 -10.676 4.945 10.306