Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
25150 | 2k6r RC | 15879 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 GLY 1 HT1 GLY 1 9.631 -1.463 -11.583
2 H2 GLY 1 HT2 GLY 1 11.253 -1.389 -11.083
3 H3 GLY 1 HT3 GLY 1 10.723 -0.449 -12.395
4 HA2 GLY 1 HA2 GLY 1 10.421 1.293 -11.038
5 HA3 GLY 1 HA1 GLY 1 9.169 0.277 -10.262
6 H GLN 2 HN GLN 2 10.537 2.074 -8.763
7 HA GLN 2 HA GLN 2 11.566 0.380 -6.678
8 HB2 GLN 2 HB2 GLN 2 10.310 3.133 -6.437
9 HB3 GLN 2 HB1 GLN 2 11.354 2.357 -5.245
10 HG2 GLN 2 HG2 GLN 2 13.203 2.319 -6.861
11 HG3 GLN 2 HG1 GLN 2 12.165 3.052 -8.084
12 HE21 GLN 2 HE21 GLN 2 10.816 4.922 -6.281
13 HE22 GLN 2 HE22 GLN 2 11.960 6.092 -5.829
14 H GLN 3 HN GLN 3 10.214 -1.257 -5.987
15 HA GLN 3 HA GLN 3 7.351 -0.949 -5.747
16 HB2 GLN 3 HB2 GLN 3 7.447 -3.121 -4.542
17 HB3 GLN 3 HB1 GLN 3 8.317 -3.161 -6.075
18 HG2 GLN 3 HG2 GLN 3 10.441 -2.698 -4.827
19 HG3 GLN 3 HG1 GLN 3 9.537 -2.829 -3.319
20 HE21 GLN 3 HE21 GLN 3 11.721 -4.627 -4.396
21 HE22 GLN 3 HE22 GLN 3 11.034 -6.179 -4.432
22 H TYR 4 HN TYR 4 6.122 -0.731 -3.860
23 HA TYR 4 HA TYR 4 7.082 1.071 -1.911
24 HB2 TYR 4 HB2 TYR 4 4.673 -0.658 -1.373
25 HB3 TYR 4 HB1 TYR 4 4.863 1.068 -1.124
26 HD1 TYR 4 HD2 TYR 4 4.843 2.631 -3.092
27 HD2 TYR 4 HD1 TYR 4 3.881 -1.540 -3.470
28 HE1 TYR 4 HE2 TYR 4 3.817 3.063 -5.308
29 HE2 TYR 4 HE1 TYR 4 2.875 -1.110 -5.687
30 HH TYR 4 HH TYR 4 2.919 0.504 -7.447
31 H THR 5 HN THR 5 8.408 0.614 -0.150
32 HA THR 5 HA THR 5 8.410 -2.197 0.969
33 HB THR 5 HB THR 5 10.730 -1.963 1.399
34 HG1 THR 5 HG1 THR 5 11.704 0.162 0.967
35 HG21 THR 5 HG21 THR 5 10.418 -0.415 -1.171
36 HG22 THR 5 HG22 THR 5 10.038 -2.135 -1.075
37 HG23 THR 5 HG23 THR 5 11.678 -1.572 -0.755
38 H ALA 6 HN ALA 6 8.305 1.219 1.754
39 HA ALA 6 HA ALA 6 8.412 0.682 4.691
40 HB1 ALA 6 HB1 ALA 6 8.103 3.321 3.196
41 HB2 ALA 6 HB2 ALA 6 9.660 2.630 3.674
42 HB3 ALA 6 HB3 ALA 6 8.493 3.108 4.907
43 H1 NAL 7 H1 NAL 7 3.348 4.790 1.763
44 H3 NAL 7 H3 NAL 7 6.292 2.229 -0.014
45 H4 NAL 7 H4 NAL 7 7.375 4.173 -1.110
46 H5 NAL 7 H5 NAL 7 7.454 6.717 -1.550
47 H6 NAL 7 H6 NAL 7 6.496 8.973 -1.191
48 H7 NAL 7 H7 NAL 7 4.483 9.272 0.230
49 H8 NAL 7 H8 NAL 7 3.405 7.314 1.305
50 H91 NAL 7 H91 NAL 7 3.013 2.429 1.471
51 H92 NAL 7 H92 NAL 7 4.414 1.396 1.174
52 H10 NAL 7 H10 NAL 7 4.246 3.378 3.473
53 HN1 NAL 7 HN1 NAL 7 6.496 2.507 2.426
54 H ILE 8 HN ILE 8 4.731 -0.110 3.062
55 HA ILE 8 HA ILE 8 2.728 -0.617 5.174
56 HB ILE 8 HB ILE 8 1.807 -2.427 3.389
57 HG12 ILE 8 HG12 ILE 8 1.651 -1.445 1.136
58 HG13 ILE 8 HG11 ILE 8 2.618 -0.067 1.635
59 HG21 ILE 8 HG21 ILE 8 -0.008 -0.889 2.830
60 HG22 ILE 8 HG22 ILE 8 0.981 0.497 3.299
61 HG23 ILE 8 HG23 ILE 8 0.446 -0.667 4.520
62 HD11 ILE 8 HD11 ILE 8 4.589 -1.373 1.774
63 HD12 ILE 8 HD12 ILE 8 3.780 -1.973 0.338
64 HD13 ILE 8 HD13 ILE 8 3.684 -2.888 1.830
65 H LYS 9 HN LYS 9 3.510 -2.116 6.461
66 HA LYS 9 HA LYS 9 5.788 -3.786 5.628
67 HB2 LYS 9 HB2 LYS 9 5.986 -2.357 7.673
68 HB3 LYS 9 HB1 LYS 9 4.703 -3.317 8.411
69 HG2 LYS 9 HG2 LYS 9 6.047 -5.336 8.253
70 HG3 LYS 9 HG1 LYS 9 7.298 -4.478 7.354
71 HD2 LYS 9 HD2 LYS 9 7.654 -2.989 9.312
72 HD3 LYS 9 HD1 LYS 9 6.455 -3.919 10.212
73 HE2 LYS 9 HE2 LYS 9 8.767 -4.663 10.723
74 HE3 LYS 9 HE1 LYS 9 7.816 -5.947 9.976
75 HZ1 LYS 9 HZ1 LYS 9 9.113 -5.959 8.179
76 HZ2 LYS 9 HZ2 LYS 9 10.236 -5.104 9.124
77 HZ3 LYS 9 HZ3 LYS 9 9.185 -4.267 8.084
78 H GLY 10 HN GLY 10 5.536 -5.939 5.305
79 HA2 GLY 10 HA2 GLY 10 4.728 -8.134 5.711
80 HA3 GLY 10 HA1 GLY 10 3.488 -7.475 6.772
81 H ARG 11 HN ARG 11 2.840 -5.510 4.437
82 HA ARG 11 HA ARG 11 1.407 -7.440 2.620
83 HB2 ARG 11 HB2 ARG 11 0.242 -4.938 3.893
84 HB3 ARG 11 HB1 ARG 11 -0.571 -5.934 2.693
85 HG2 ARG 11 HG2 ARG 11 0.400 -7.134 5.307
86 HG3 ARG 11 HG1 ARG 11 -1.151 -6.314 5.216
87 HD2 ARG 11 HD2 ARG 11 -0.310 -8.724 3.572
88 HD3 ARG 11 HD1 ARG 11 -1.478 -8.707 4.886
89 HE ARG 11 HE ARG 11 -2.479 -6.839 3.099
90 HH11 ARG 11 HH21 ARG 11 -1.462 -10.137 2.951
91 HH12 ARG 11 HH22 ARG 11 -2.574 -10.559 1.692
92 HH21 ARG 11 HH11 ARG 11 -3.934 -7.379 1.459
93 HH22 ARG 11 HH12 ARG 11 -3.972 -8.999 0.848
94 H THR 12 HN THR 12 2.732 -7.012 0.837
95 HA THR 12 HA THR 12 3.079 -4.213 -0.006
96 HB THR 12 HB THR 12 4.475 -5.953 -1.792
97 HG1 THR 12 HG1 THR 12 5.642 -6.653 0.483
98 HG21 THR 12 HG21 THR 12 6.469 -4.901 -0.864
99 HG22 THR 12 HG22 THR 12 5.577 -4.394 0.572
100 HG23 THR 12 HG23 THR 12 5.195 -3.686 -0.997
101 H PHE 13 HN PHE 13 2.758 -3.708 -2.287
102 HA PHE 13 HA PHE 13 0.428 -5.216 -3.459
103 HB2 PHE 13 HB2 PHE 13 1.105 -2.260 -3.431
104 HB3 PHE 13 HB1 PHE 13 -0.203 -2.959 -4.385
105 HD1 PHE 13 HD1 PHE 13 1.112 -2.782 -0.865
106 HD2 PHE 13 HD2 PHE 13 -2.338 -3.223 -3.385
107 HE1 PHE 13 HE1 PHE 13 -0.354 -2.745 1.124
108 HE2 PHE 13 HE2 PHE 13 -3.791 -3.196 -1.391
109 HZ PHE 13 HZ PHE 13 -2.799 -2.932 0.850
110 H ARG 14 HN ARG 14 0.655 -5.887 -5.527
111 HA ARG 14 HA ARG 14 3.179 -5.276 -6.982
112 HB2 ARG 14 HB2 ARG 14 2.280 -7.632 -6.876
113 HB3 ARG 14 HB1 ARG 14 0.871 -7.092 -7.790
114 HG2 ARG 14 HG2 ARG 14 2.329 -6.403 -9.654
115 HG3 ARG 14 HG1 ARG 14 3.749 -6.918 -8.741
116 HD2 ARG 14 HD2 ARG 14 2.920 -9.222 -8.702
117 HD3 ARG 14 HD1 ARG 14 1.458 -8.727 -9.556
118 HE ARG 14 HE ARG 14 3.518 -7.893 -11.221
119 HH11 ARG 14 HH21 ARG 14 2.574 -10.846 -9.699
120 HH12 ARG 14 HH22 ARG 14 3.219 -11.851 -10.954
121 HH21 ARG 14 HH11 ARG 14 4.363 -9.192 -12.862
122 HH22 ARG 14 HH12 ARG 14 4.231 -10.914 -12.743
123 H ASN 15 HN ASN 15 -0.319 -4.887 -7.230
124 HA ASN 15 HA ASN 15 0.000 -3.020 -9.559
125 HB2 ASN 15 HB2 ASN 15 -2.687 -3.318 -9.371
126 HB3 ASN 15 HB1 ASN 15 -1.689 -4.428 -10.313
127 HD21 ASN 15 HD21 ASN 15 -4.203 -4.563 -8.273
128 HD22 ASN 15 HD22 ASN 15 -3.868 -6.005 -7.443
129 H GLU 16 HN GLU 16 -0.199 -0.899 -9.138
130 HA GLU 16 HA GLU 16 -0.715 0.034 -6.479
131 HB2 GLU 16 HB2 GLU 16 0.642 1.289 -8.182
132 HB3 GLU 16 HB1 GLU 16 -0.853 1.629 -9.055
133 HG2 GLU 16 HG2 GLU 16 -1.754 2.833 -7.142
134 HG3 GLU 16 HG1 GLU 16 -0.350 2.400 -6.166
135 H LYS 17 HN LYS 17 -2.761 -0.782 -9.128
136 HA LYS 17 HA LYS 17 -5.007 0.815 -8.618
137 HB2 LYS 17 HB2 LYS 17 -4.788 -0.629 -10.591
138 HB3 LYS 17 HB1 LYS 17 -4.886 -2.050 -9.551
139 HG2 LYS 17 HG2 LYS 17 -7.159 -1.544 -8.930
140 HG3 LYS 17 HG1 LYS 17 -7.072 0.051 -9.677
141 HD2 LYS 17 HD2 LYS 17 -8.313 -1.612 -11.072
142 HD3 LYS 17 HD1 LYS 17 -6.907 -0.939 -11.893
143 HE2 LYS 17 HE2 LYS 17 -6.633 -3.513 -10.336
144 HE3 LYS 17 HE1 LYS 17 -7.286 -3.537 -11.975
145 HZ1 LYS 17 HZ1 LYS 17 -5.125 -1.936 -12.211
146 HZ2 LYS 17 HZ2 LYS 17 -5.165 -3.589 -12.599
147 HZ3 LYS 17 HZ3 LYS 17 -4.592 -3.084 -11.082
148 H GLU 18 HN GLU 18 -4.095 -2.347 -7.232
149 HA GLU 18 HA GLU 18 -6.391 -2.517 -5.536
150 HB2 GLU 18 HB2 GLU 18 -5.044 -4.479 -6.228
151 HB3 GLU 18 HB1 GLU 18 -3.707 -3.882 -5.247
152 HG2 GLU 18 HG2 GLU 18 -5.048 -4.068 -3.230
153 HG3 GLU 18 HG1 GLU 18 -6.469 -4.508 -4.174
154 H LEU 19 HN LEU 19 -3.154 -1.172 -5.133
155 HA LEU 19 HA LEU 19 -3.392 -0.755 -2.293
156 HB2 LEU 19 HB2 LEU 19 -1.210 -0.758 -3.312
157 HB3 LEU 19 HB1 LEU 19 -1.665 0.534 -4.399
158 HG LEU 19 HG LEU 19 -1.919 1.999 -2.350
159 HD11 LEU 19 HD11 LEU 19 -2.128 0.327 -0.599
160 HD12 LEU 19 HD12 LEU 19 -0.661 1.254 -0.321
161 HD13 LEU 19 HD13 LEU 19 -0.562 -0.350 -1.034
162 HD21 LEU 19 HD21 LEU 19 0.057 2.118 -3.794
163 HD22 LEU 19 HD22 LEU 19 0.799 0.802 -2.884
164 HD23 LEU 19 HD23 LEU 19 0.509 2.358 -2.106
165 H ARG 20 HN ARG 20 -4.283 1.132 -5.144
166 HA ARG 20 HA ARG 20 -4.889 3.590 -3.822
167 HB2 ARG 20 HB2 ARG 20 -4.794 3.278 -6.310
168 HB3 ARG 20 HB1 ARG 20 -6.311 2.386 -6.214
169 HG2 ARG 20 HG2 ARG 20 -7.440 4.357 -5.281
170 HG3 ARG 20 HG1 ARG 20 -5.922 5.254 -5.300
171 HD2 ARG 20 HD2 ARG 20 -5.809 4.949 -7.768
172 HD3 ARG 20 HD1 ARG 20 -7.378 4.145 -7.716
173 HE ARG 20 HE ARG 20 -7.833 6.576 -6.454
174 HH11 ARG 20 HH21 ARG 20 -6.515 5.538 -9.474
175 HH12 ARG 20 HH22 ARG 20 -7.032 6.950 -10.333
176 HH21 ARG 20 HH11 ARG 20 -8.511 8.420 -7.563
177 HH22 ARG 20 HH12 ARG 20 -8.161 8.581 -9.252
178 H ASP 21 HN ASP 21 -6.698 0.652 -4.313
179 HA ASP 21 HA ASP 21 -9.148 1.611 -3.166
180 HB2 ASP 21 HB2 ASP 21 -9.140 -0.247 -4.781
181 HB3 ASP 21 HB1 ASP 21 -8.210 -1.228 -3.650
182 H PHE 22 HN PHE 22 -6.623 -0.638 -2.002
183 HA PHE 22 HA PHE 22 -7.714 -0.922 0.586
184 HB2 PHE 22 HB2 PHE 22 -4.995 -1.316 -0.609
185 HB3 PHE 22 HB1 PHE 22 -5.124 -1.343 1.141
186 HD1 PHE 22 HD2 PHE 22 -7.508 -2.597 -1.476
187 HD2 PHE 22 HD1 PHE 22 -4.885 -3.622 1.776
188 HE1 PHE 22 HE2 PHE 22 -8.285 -4.936 -1.580
189 HE2 PHE 22 HE1 PHE 22 -5.669 -5.956 1.663
190 HZ PHE 22 HZ PHE 22 -7.370 -6.624 -0.012
191 H ILE 23 HN ILE 23 -5.911 1.608 -0.902
192 HA ILE 23 HA ILE 23 -5.011 2.933 1.487
193 HB ILE 23 HB ILE 23 -5.340 3.606 -1.409
194 HG12 ILE 23 HG12 ILE 23 -3.121 4.181 0.593
195 HG13 ILE 23 HG11 ILE 23 -3.218 2.728 -0.393
196 HG21 ILE 23 HG21 ILE 23 -6.407 5.571 -0.592
197 HG22 ILE 23 HG22 ILE 23 -4.749 6.042 -0.926
198 HG23 ILE 23 HG23 ILE 23 -5.254 5.730 0.733
199 HD11 ILE 23 HD11 ILE 23 -1.681 4.392 -1.379
200 HD12 ILE 23 HD12 ILE 23 -2.999 5.559 -1.460
201 HD13 ILE 23 HD13 ILE 23 -3.057 4.094 -2.429
202 H GLU 24 HN GLU 24 -7.921 3.009 -0.437
203 HA GLU 24 HA GLU 24 -9.210 5.129 0.958
204 HB2 GLU 24 HB2 GLU 24 -10.422 2.763 -0.495
205 HB3 GLU 24 HB1 GLU 24 -11.373 4.083 0.166
206 HG2 GLU 24 HG2 GLU 24 -10.090 5.688 -1.225
207 HG3 GLU 24 HG1 GLU 24 -9.197 4.343 -1.932
208 H LYS 25 HN LYS 25 -8.665 1.785 1.738
209 HA LYS 25 HA LYS 25 -10.632 1.663 3.894
210 HB2 LYS 25 HB2 LYS 25 -9.733 -0.351 2.654
211 HB3 LYS 25 HB1 LYS 25 -8.199 -0.106 3.485
212 HG2 LYS 25 HG2 LYS 25 -9.369 -0.315 5.670
213 HG3 LYS 25 HG1 LYS 25 -10.878 -0.634 4.812
214 HD2 LYS 25 HD2 LYS 25 -9.938 -2.638 3.804
215 HD3 LYS 25 HD1 LYS 25 -8.360 -2.295 4.515
216 HE2 LYS 25 HE2 LYS 25 -9.744 -4.005 5.777
217 HE3 LYS 25 HE1 LYS 25 -9.201 -2.633 6.743
218 HZ1 LYS 25 HZ1 LYS 25 -11.342 -1.590 6.438
219 HZ2 LYS 25 HZ2 LYS 25 -11.548 -3.140 7.103
220 HZ3 LYS 25 HZ3 LYS 25 -11.867 -2.870 5.456
221 H PHE 26 HN PHE 26 -7.052 2.062 3.778
222 HA PHE 26 HA PHE 26 -6.711 2.291 6.607
223 HB2 PHE 26 HB2 PHE 26 -5.035 3.862 4.626
224 HB3 PHE 26 HB1 PHE 26 -4.541 3.180 6.169
225 HD1 PHE 26 HD1 PHE 26 -5.820 0.361 5.767
226 HD2 PHE 26 HD2 PHE 26 -3.383 2.841 3.222
227 HE1 PHE 26 HE1 PHE 26 -4.983 -1.646 4.604
228 HE2 PHE 26 HE2 PHE 26 -2.556 0.813 2.053
229 HZ PHE 26 HZ PHE 26 -3.352 -1.426 2.754
230 H11A DNS 27 H22 DNS 27 -1.036 2.233 6.831
231 H12 DNS 27 H23 DNS 27 -1.218 2.245 5.074
232 H13 DNS 27 H24 DNS 27 -2.359 3.153 6.090
233 H21 DNS 27 H21 DNS 27 1.103 3.217 4.688
234 H22 DNS 27 H19 DNS 27 1.218 2.830 6.415
235 H23 DNS 27 H20 DNS 27 1.628 4.453 5.851
236 H4 DNS 27 H14 DNS 27 -0.577 3.423 3.243
237 H5 DNS 27 H15 DNS 27 -1.322 5.039 1.478
238 H6 DNS 27 H16 DNS 27 -2.011 7.363 2.107
239 HZ DNS 27 HZ1 DNS 27 -4.141 8.149 3.925
240 HE3 DNS 27 HE1 DNS 27 -5.053 10.235 2.863
241 HE2 DNS 27 HE2 DNS 27 -4.650 9.435 1.352
242 HD3 DNS 27 HD1 DNS 27 -7.050 9.132 2.272
243 HD2 DNS 27 HD2 DNS 27 -6.203 7.686 1.724
244 HG3 DNS 27 HG1 DNS 27 -5.688 7.007 3.960
245 HG2 DNS 27 HG2 DNS 27 -6.139 8.579 4.624
246 HB3 DNS 27 HB1 DNS 27 -8.470 8.208 4.138
247 HB2 DNS 27 HB2 DNS 27 -8.107 6.751 3.212
248 HA DNS 27 HA DNS 27 -7.351 6.960 6.140
249 H DNS 27 HN DNS 27 -7.184 4.856 4.152
250 H9 DNS 27 H9 DNS 27 -2.296 9.793 6.258
251 H10 DNS 27 H10 DNS 27 -1.552 8.175 8.009
252 H11 DNS 27 H11 DNS 27 -0.865 5.855 7.375
253 H GLY 28 HN GLY 28 -8.907 6.438 7.696
254 HA2 GLY 28 HA2 GLY 28 -11.612 7.107 7.199
255 HA3 GLY 28 HA1 GLY 28 -11.488 5.348 7.129
256 H ARG 29 HN ARG 29 -10.316 8.014 9.218
257 HA ARG 29 HA ARG 29 -11.579 6.907 11.570
258 HB2 ARG 29 HB2 ARG 29 -9.435 6.352 12.772
259 HB3 ARG 29 HB1 ARG 29 -9.819 5.245 11.455
260 HG2 ARG 29 HG2 ARG 29 -8.294 6.490 9.960
261 HG3 ARG 29 HG1 ARG 29 -7.902 7.592 11.281
262 HD2 ARG 29 HD2 ARG 29 -7.427 4.597 11.300
263 HD3 ARG 29 HD1 ARG 29 -6.187 5.824 11.042
264 HE ARG 29 HE ARG 29 -7.351 6.542 13.460
265 HH11 ARG 29 HH21 ARG 29 -5.908 3.704 12.120
266 HH12 ARG 29 HH22 ARG 29 -5.318 3.128 13.643
267 HH21 ARG 29 HH11 ARG 29 -6.585 5.801 15.450
268 HH22 ARG 29 HH12 ARG 29 -5.701 4.314 15.526
Start of MODEL 2
1 H1 GLY 1 HT1 GLY 1 7.888 1.247 -12.264
2 H2 GLY 1 HT2 GLY 1 9.278 0.549 -11.581
3 H3 GLY 1 HT3 GLY 1 9.352 2.108 -12.253
4 HA2 GLY 1 HA2 GLY 1 8.076 3.147 -10.559
5 HA3 GLY 1 HA1 GLY 1 7.703 1.518 -9.920
6 H GLN 2 HN GLN 2 8.813 3.423 -8.293
7 HA GLN 2 HA GLN 2 11.071 1.943 -7.276
8 HB2 GLN 2 HB2 GLN 2 10.727 3.308 -5.217
9 HB3 GLN 2 HB1 GLN 2 10.754 4.291 -6.681
10 HG2 GLN 2 HG2 GLN 2 8.241 4.207 -6.708
11 HG3 GLN 2 HG1 GLN 2 8.297 3.382 -5.150
12 HE21 GLN 2 HE21 GLN 2 10.384 4.812 -3.873
13 HE22 GLN 2 HE22 GLN 2 9.903 6.427 -3.668
14 H GLN 3 HN GLN 3 11.134 0.300 -5.756
15 HA GLN 3 HA GLN 3 8.709 -1.258 -5.356
16 HB2 GLN 3 HB2 GLN 3 11.427 -1.536 -4.029
17 HB3 GLN 3 HB1 GLN 3 10.155 -2.757 -4.058
18 HG2 GLN 3 HG2 GLN 3 11.475 -1.615 -6.540
19 HG3 GLN 3 HG1 GLN 3 11.937 -3.138 -5.784
20 HE21 GLN 3 HE21 GLN 3 9.574 -4.382 -5.187
21 HE22 GLN 3 HE22 GLN 3 8.620 -4.591 -6.576
22 H TYR 4 HN TYR 4 7.269 -0.995 -3.724
23 HA TYR 4 HA TYR 4 7.559 1.070 -1.798
24 HB2 TYR 4 HB2 TYR 4 5.496 -0.593 -0.819
25 HB3 TYR 4 HB1 TYR 4 5.284 0.782 -1.890
26 HD1 TYR 4 HD1 TYR 4 6.585 -2.741 -2.263
27 HD2 TYR 4 HD2 TYR 4 3.906 0.283 -3.756
28 HE1 TYR 4 HE1 TYR 4 5.857 -4.268 -4.067
29 HE2 TYR 4 HE2 TYR 4 3.185 -1.257 -5.554
30 HH TYR 4 HH TYR 4 4.602 -4.513 -5.869
31 H THR 5 HN THR 5 8.664 1.037 0.101
32 HA THR 5 HA THR 5 9.311 -1.621 1.383
33 HB THR 5 HB THR 5 11.408 -0.718 2.047
34 HG1 THR 5 HG1 THR 5 10.073 1.654 1.644
35 HG21 THR 5 HG21 THR 5 10.975 0.491 -0.685
36 HG22 THR 5 HG22 THR 5 11.131 -1.250 -0.439
37 HG23 THR 5 HG23 THR 5 12.470 -0.176 -0.031
38 H ALA 6 HN ALA 6 8.124 1.622 1.857
39 HA ALA 6 HA ALA 6 7.865 1.189 4.828
40 HB1 ALA 6 HB1 ALA 6 7.768 3.609 5.003
41 HB2 ALA 6 HB2 ALA 6 7.728 3.783 3.245
42 HB3 ALA 6 HB3 ALA 6 9.187 3.184 4.046
43 H1 NAL 7 H1 NAL 7 3.237 4.834 0.918
44 H3 NAL 7 H3 NAL 7 6.259 2.143 -0.504
45 H4 NAL 7 H4 NAL 7 7.426 3.999 -1.661
46 H5 NAL 7 H5 NAL 7 7.553 6.508 -2.264
47 H6 NAL 7 H6 NAL 7 6.593 8.786 -2.113
48 H7 NAL 7 H7 NAL 7 4.502 9.189 -0.835
49 H8 NAL 7 H8 NAL 7 3.349 7.312 0.303
50 H91 NAL 7 H91 NAL 7 2.903 2.424 0.691
51 H92 NAL 7 H92 NAL 7 4.327 1.386 0.613
52 H10 NAL 7 H10 NAL 7 3.847 3.500 2.747
53 HN1 NAL 7 HN1 NAL 7 6.274 2.672 2.060
54 H ILE 8 HN ILE 8 4.406 0.010 2.361
55 HA ILE 8 HA ILE 8 2.345 -0.505 4.443
56 HB ILE 8 HB ILE 8 1.416 -2.261 2.622
57 HG12 ILE 8 HG12 ILE 8 1.323 -1.254 0.378
58 HG13 ILE 8 HG11 ILE 8 2.331 0.085 0.903
59 HG21 ILE 8 HG21 ILE 8 0.082 -0.475 3.741
60 HG22 ILE 8 HG22 ILE 8 -0.345 -0.672 2.041
61 HG23 ILE 8 HG23 ILE 8 0.674 0.682 2.539
62 HD11 ILE 8 HD11 ILE 8 4.237 -1.349 1.139
63 HD12 ILE 8 HD12 ILE 8 3.488 -1.750 -0.404
64 HD13 ILE 8 HD13 ILE 8 3.239 -2.795 0.982
65 H LYS 9 HN LYS 9 3.568 -1.639 5.814
66 HA LYS 9 HA LYS 9 5.561 -3.544 4.862
67 HB2 LYS 9 HB2 LYS 9 6.523 -3.426 6.973
68 HB3 LYS 9 HB1 LYS 9 5.686 -1.879 6.934
69 HG2 LYS 9 HG2 LYS 9 3.718 -3.092 8.091
70 HG3 LYS 9 HG1 LYS 9 4.834 -4.430 8.345
71 HD2 LYS 9 HD2 LYS 9 6.393 -2.866 9.504
72 HD3 LYS 9 HD1 LYS 9 5.191 -1.588 9.335
73 HE2 LYS 9 HE2 LYS 9 5.053 -2.666 11.558
74 HE3 LYS 9 HE1 LYS 9 3.575 -2.914 10.629
75 HZ1 LYS 9 HZ1 LYS 9 3.955 -5.105 10.444
76 HZ2 LYS 9 HZ2 LYS 9 4.938 -4.878 11.811
77 HZ3 LYS 9 HZ3 LYS 9 5.631 -4.922 10.261
78 H GLY 10 HN GLY 10 5.440 -5.750 4.995
79 HA2 GLY 10 HA2 GLY 10 4.593 -7.884 5.497
80 HA3 GLY 10 HA1 GLY 10 3.437 -7.133 6.589
81 H ARG 11 HN ARG 11 2.587 -5.366 4.160
82 HA ARG 11 HA ARG 11 1.049 -7.458 2.627
83 HB2 ARG 11 HB2 ARG 11 -0.103 -4.887 3.755
84 HB3 ARG 11 HB1 ARG 11 -0.972 -6.105 2.821
85 HG2 ARG 11 HG2 ARG 11 -0.558 -7.772 4.583
86 HG3 ARG 11 HG1 ARG 11 0.339 -6.573 5.516
87 HD2 ARG 11 HD2 ARG 11 -1.982 -6.766 6.333
88 HD3 ARG 11 HD1 ARG 11 -1.678 -5.164 5.661
89 HE ARG 11 HE ARG 11 -2.684 -6.617 3.516
90 HH11 ARG 11 HH21 ARG 11 -3.677 -5.902 6.746
91 HH12 ARG 11 HH22 ARG 11 -5.368 -5.965 6.378
92 HH21 ARG 11 HH11 ARG 11 -4.886 -6.701 3.025
93 HH22 ARG 11 HH12 ARG 11 -6.052 -6.417 4.275
94 H THR 12 HN THR 12 2.192 -7.131 0.695
95 HA THR 12 HA THR 12 2.273 -4.392 -0.422
96 HB THR 12 HB THR 12 3.804 -5.932 -2.140
97 HG1 THR 12 HG1 THR 12 4.875 -6.847 0.159
98 HG21 THR 12 HG21 THR 12 5.761 -4.989 -0.971
99 HG22 THR 12 HG22 THR 12 4.745 -4.581 0.412
100 HG23 THR 12 HG23 THR 12 4.483 -3.786 -1.139
101 H PHE 13 HN PHE 13 1.780 -4.156 -2.694
102 HA PHE 13 HA PHE 13 -0.346 -6.063 -3.638
103 HB2 PHE 13 HB2 PHE 13 -0.141 -3.071 -4.092
104 HB3 PHE 13 HB1 PHE 13 -1.474 -4.120 -4.583
105 HD1 PHE 13 HD1 PHE 13 0.375 -2.774 -1.625
106 HD2 PHE 13 HD2 PHE 13 -3.187 -4.735 -3.020
107 HE1 PHE 13 HE1 PHE 13 -0.631 -2.592 0.635
108 HE2 PHE 13 HE2 PHE 13 -4.196 -4.502 -0.775
109 HZ PHE 13 HZ PHE 13 -2.910 -3.417 1.043
110 H ARG 14 HN ARG 14 -0.034 -6.889 -5.658
111 HA ARG 14 HA ARG 14 2.437 -6.424 -7.064
112 HB2 ARG 14 HB2 ARG 14 -0.175 -7.717 -7.934
113 HB3 ARG 14 HB1 ARG 14 1.260 -7.666 -8.958
114 HG2 ARG 14 HG2 ARG 14 2.542 -8.927 -7.320
115 HG3 ARG 14 HG1 ARG 14 1.207 -8.867 -6.171
116 HD2 ARG 14 HD2 ARG 14 -0.197 -10.173 -7.710
117 HD3 ARG 14 HD1 ARG 14 1.117 -10.211 -8.888
118 HE ARG 14 HE ARG 14 2.250 -11.267 -6.582
119 HH11 ARG 14 HH21 ARG 14 -0.532 -11.913 -8.525
120 HH12 ARG 14 HH22 ARG 14 -0.546 -13.607 -8.169
121 HH21 ARG 14 HH11 ARG 14 2.242 -13.471 -6.112
122 HH22 ARG 14 HH12 ARG 14 1.023 -14.489 -6.805
123 H ASN 15 HN ASN 15 -0.874 -5.277 -7.467
124 HA ASN 15 HA ASN 15 0.045 -3.239 -9.475
125 HB2 ASN 15 HB2 ASN 15 -2.562 -2.937 -9.661
126 HB3 ASN 15 HB1 ASN 15 -1.792 -4.294 -10.488
127 HD21 ASN 15 HD21 ASN 15 -4.133 -5.149 -10.233
128 HD22 ASN 15 HD22 ASN 15 -4.479 -6.018 -8.815
129 H GLU 16 HN GLU 16 0.206 -1.192 -8.768
130 HA GLU 16 HA GLU 16 -0.342 -0.512 -6.057
131 HB2 GLU 16 HB2 GLU 16 1.289 0.764 -7.371
132 HB3 GLU 16 HB1 GLU 16 0.028 1.268 -8.494
133 HG2 GLU 16 HG2 GLU 16 -1.067 2.591 -6.801
134 HG3 GLU 16 HG1 GLU 16 -0.035 1.928 -5.536
135 H LYS 17 HN LYS 17 -2.314 -0.687 -8.867
136 HA LYS 17 HA LYS 17 -4.364 1.128 -8.311
137 HB2 LYS 17 HB2 LYS 17 -4.119 -0.380 -10.355
138 HB3 LYS 17 HB1 LYS 17 -4.805 -1.675 -9.383
139 HG2 LYS 17 HG2 LYS 17 -6.807 -0.262 -8.946
140 HG3 LYS 17 HG1 LYS 17 -6.143 0.984 -9.996
141 HD2 LYS 17 HD2 LYS 17 -6.527 -1.843 -11.036
142 HD3 LYS 17 HD1 LYS 17 -7.882 -0.722 -10.997
143 HE2 LYS 17 HE2 LYS 17 -5.254 -0.276 -12.454
144 HE3 LYS 17 HE1 LYS 17 -6.808 -0.643 -13.190
145 HZ1 LYS 17 HZ1 LYS 17 -7.431 1.473 -11.691
146 HZ2 LYS 17 HZ2 LYS 17 -6.968 1.571 -13.322
147 HZ3 LYS 17 HZ3 LYS 17 -5.828 1.849 -12.094
148 H GLU 18 HN GLU 18 -3.952 -2.215 -7.166
149 HA GLU 18 HA GLU 18 -6.319 -2.244 -5.569
150 HB2 GLU 18 HB2 GLU 18 -3.802 -3.910 -5.465
151 HB3 GLU 18 HB1 GLU 18 -5.237 -4.236 -4.488
152 HG2 GLU 18 HG2 GLU 18 -6.588 -4.556 -6.475
153 HG3 GLU 18 HG1 GLU 18 -5.251 -4.061 -7.512
154 H LEU 19 HN LEU 19 -3.007 -1.216 -4.951
155 HA LEU 19 HA LEU 19 -3.357 -0.990 -2.093
156 HB2 LEU 19 HB2 LEU 19 -1.109 -1.083 -2.870
157 HB3 LEU 19 HB1 LEU 19 -1.384 0.174 -4.054
158 HG LEU 19 HG LEU 19 -1.584 1.829 -2.209
159 HD11 LEU 19 HD11 LEU 19 -0.759 -0.457 -0.434
160 HD12 LEU 19 HD12 LEU 19 -2.346 0.286 -0.412
161 HD13 LEU 19 HD13 LEU 19 -0.932 1.215 0.063
162 HD21 LEU 19 HD21 LEU 19 0.920 0.146 -2.156
163 HD22 LEU 19 HD22 LEU 19 0.797 1.803 -1.564
164 HD23 LEU 19 HD23 LEU 19 0.581 1.461 -3.279
165 H ARG 20 HN ARG 20 -3.927 1.112 -4.864
166 HA ARG 20 HA ARG 20 -4.400 3.549 -3.453
167 HB2 ARG 20 HB2 ARG 20 -4.182 3.339 -5.948
168 HB3 ARG 20 HB1 ARG 20 -5.777 2.590 -5.978
169 HG2 ARG 20 HG2 ARG 20 -6.761 4.622 -4.985
170 HG3 ARG 20 HG1 ARG 20 -5.166 5.371 -4.925
171 HD2 ARG 20 HD2 ARG 20 -4.991 5.186 -7.383
172 HD3 ARG 20 HD1 ARG 20 -6.598 4.459 -7.437
173 HE ARG 20 HE ARG 20 -6.998 6.854 -6.094
174 HH11 ARG 20 HH21 ARG 20 -5.584 5.882 -9.091
175 HH12 ARG 20 HH22 ARG 20 -5.992 7.352 -9.910
176 HH21 ARG 20 HH11 ARG 20 -7.534 8.774 -7.150
177 HH22 ARG 20 HH12 ARG 20 -7.094 8.989 -8.811
178 H ASP 21 HN ASP 21 -6.392 0.791 -4.177
179 HA ASP 21 HA ASP 21 -8.832 1.888 -3.136
180 HB2 ASP 21 HB2 ASP 21 -8.012 -0.959 -3.764
181 HB3 ASP 21 HB1 ASP 21 -9.638 -0.489 -3.269
182 H PHE 22 HN PHE 22 -6.541 -0.575 -1.922
183 HA PHE 22 HA PHE 22 -7.793 -0.844 0.599
184 HB2 PHE 22 HB2 PHE 22 -5.079 -1.467 -0.500
185 HB3 PHE 22 HB1 PHE 22 -5.252 -1.484 1.247
186 HD1 PHE 22 HD2 PHE 22 -7.655 -2.501 -1.451
187 HD2 PHE 22 HD1 PHE 22 -5.257 -3.773 1.885
188 HE1 PHE 22 HE2 PHE 22 -8.647 -4.759 -1.592
189 HE2 PHE 22 HE1 PHE 22 -6.254 -6.024 1.736
190 HZ PHE 22 HZ PHE 22 -7.951 -6.527 0.001
191 H ILE 23 HN ILE 23 -5.730 1.586 -0.710
192 HA ILE 23 HA ILE 23 -4.852 2.750 1.773
193 HB ILE 23 HB ILE 23 -4.955 3.532 -1.108
194 HG12 ILE 23 HG12 ILE 23 -2.854 3.893 1.067
195 HG13 ILE 23 HG11 ILE 23 -2.952 2.521 -0.023
196 HG21 ILE 23 HG21 ILE 23 -5.964 5.536 -0.300
197 HG22 ILE 23 HG22 ILE 23 -4.269 5.919 -0.538
198 HG23 ILE 23 HG23 ILE 23 -4.876 5.606 1.087
199 HD11 ILE 23 HD11 ILE 23 -2.332 5.388 -0.725
200 HD12 ILE 23 HD12 ILE 23 -2.722 4.175 -1.934
201 HD13 ILE 23 HD13 ILE 23 -1.293 3.978 -0.929
202 H GLU 24 HN GLU 24 -7.635 3.115 -0.287
203 HA GLU 24 HA GLU 24 -8.836 5.277 1.126
204 HB2 GLU 24 HB2 GLU 24 -10.124 3.088 -0.523
205 HB3 GLU 24 HB1 GLU 24 -11.018 4.446 0.142
206 HG2 GLU 24 HG2 GLU 24 -8.598 4.782 -1.657
207 HG3 GLU 24 HG1 GLU 24 -10.253 4.750 -2.258
208 H LYS 25 HN LYS 25 -8.626 1.862 1.778
209 HA LYS 25 HA LYS 25 -10.750 1.837 3.792
210 HB2 LYS 25 HB2 LYS 25 -8.499 -0.122 3.236
211 HB3 LYS 25 HB1 LYS 25 -9.785 -0.392 4.405
212 HG2 LYS 25 HG2 LYS 25 -11.467 -0.199 2.596
213 HG3 LYS 25 HG1 LYS 25 -10.170 0.039 1.424
214 HD2 LYS 25 HD2 LYS 25 -9.246 -2.171 1.972
215 HD3 LYS 25 HD1 LYS 25 -10.506 -2.410 3.182
216 HE2 LYS 25 HE2 LYS 25 -11.042 -3.538 1.026
217 HE3 LYS 25 HE1 LYS 25 -12.233 -2.309 1.455
218 HZ1 LYS 25 HZ1 LYS 25 -11.366 -0.824 -0.097
219 HZ2 LYS 25 HZ2 LYS 25 -11.360 -2.313 -0.914
220 HZ3 LYS 25 HZ3 LYS 25 -9.917 -1.686 -0.272
221 H PHE 26 HN PHE 26 -7.150 1.914 3.941
222 HA PHE 26 HA PHE 26 -6.981 1.972 6.788
223 HB2 PHE 26 HB2 PHE 26 -5.089 3.544 5.011
224 HB3 PHE 26 HB1 PHE 26 -4.737 2.752 6.540
225 HD1 PHE 26 HD1 PHE 26 -6.137 0.042 5.912
226 HD2 PHE 26 HD2 PHE 26 -3.422 2.503 3.645
227 HE1 PHE 26 HE1 PHE 26 -5.340 -1.950 4.695
228 HE2 PHE 26 HE2 PHE 26 -2.637 0.491 2.420
229 HZ PHE 26 HZ PHE 26 -3.592 -1.732 2.955
230 H11A DNS 27 H22 DNS 27 -0.217 0.897 7.230
231 H12 DNS 27 H23 DNS 27 -1.596 1.743 7.940
232 H13 DNS 27 H24 DNS 27 -0.188 1.343 8.946
233 H21 DNS 27 H21 DNS 27 1.911 2.496 8.597
234 H22 DNS 27 H19 DNS 27 2.027 3.806 7.408
235 H23 DNS 27 H20 DNS 27 1.895 2.131 6.859
236 H4 DNS 27 H14 DNS 27 0.436 1.702 5.213
237 H5 DNS 27 H15 DNS 27 -0.429 2.595 3.036
238 H6 DNS 27 H16 DNS 27 -1.686 4.762 2.973
239 HZ DNS 27 HZ1 DNS 27 -2.707 8.857 4.543
240 HE3 DNS 27 HE1 DNS 27 -4.475 10.009 3.662
241 HE2 DNS 27 HE2 DNS 27 -3.860 9.066 2.314
242 HD3 DNS 27 HD1 DNS 27 -6.444 9.017 2.892
243 HD2 DNS 27 HD2 DNS 27 -5.631 7.527 2.406
244 HG3 DNS 27 HG1 DNS 27 -5.445 6.762 4.663
245 HG2 DNS 27 HG2 DNS 27 -5.878 8.342 5.319
246 HB3 DNS 27 HB1 DNS 27 -8.151 8.135 4.582
247 HB2 DNS 27 HB2 DNS 27 -7.778 6.718 3.598
248 HA DNS 27 HA DNS 27 -7.333 6.682 6.595
249 H DNS 27 HN DNS 27 -7.144 4.697 4.474
250 H9 DNS 27 H9 DNS 27 -3.013 7.991 6.285
251 H10 DNS 27 H10 DNS 27 -2.149 7.098 8.448
252 H11 DNS 27 H11 DNS 27 -0.893 4.935 8.511
253 H GLY 28 HN GLY 28 -9.066 6.229 7.949
254 HA2 GLY 28 HA2 GLY 28 -11.642 7.137 7.312
255 HA3 GLY 28 HA1 GLY 28 -11.662 5.397 7.019
256 H ARG 29 HN ARG 29 -10.545 7.696 9.525
257 HA ARG 29 HA ARG 29 -11.998 6.216 11.601
258 HB2 ARG 29 HB2 ARG 29 -9.923 5.781 12.947
259 HB3 ARG 29 HB1 ARG 29 -10.011 4.818 11.473
260 HG2 ARG 29 HG2 ARG 29 -8.550 6.460 10.323
261 HG3 ARG 29 HG1 ARG 29 -8.433 7.388 11.818
262 HD2 ARG 29 HD2 ARG 29 -7.488 5.369 12.946
263 HD3 ARG 29 HD1 ARG 29 -7.498 4.536 11.390
264 HE ARG 29 HE ARG 29 -6.088 6.879 10.893
265 HH11 ARG 29 HH21 ARG 29 -5.895 4.271 13.148
266 HH12 ARG 29 HH22 ARG 29 -4.174 4.375 13.319
267 HH21 ARG 29 HH11 ARG 29 -3.846 7.022 11.106
268 HH22 ARG 29 HH12 ARG 29 -3.016 5.931 12.164
Start of MODEL 3
1 H1 GLY 1 HT1 GLY 1 12.789 1.282 -9.770
2 H2 GLY 1 HT2 GLY 1 11.234 0.618 -9.940
3 H3 GLY 1 HT3 GLY 1 12.453 0.226 -11.056
4 HA2 GLY 1 HA2 GLY 1 12.352 -1.716 -9.767
5 HA3 GLY 1 HA1 GLY 1 13.614 -0.722 -8.979
6 H GLN 2 HN GLN 2 12.596 1.315 -7.729
7 HA GLN 2 HA GLN 2 13.049 0.037 -5.187
8 HB2 GLN 2 HB2 GLN 2 11.800 2.743 -5.760
9 HB3 GLN 2 HB1 GLN 2 12.483 2.218 -4.221
10 HG2 GLN 2 HG2 GLN 2 14.695 1.991 -5.243
11 HG3 GLN 2 HG1 GLN 2 14.033 2.428 -6.819
12 HE21 GLN 2 HE21 GLN 2 13.543 4.674 -7.218
13 HE22 GLN 2 HE22 GLN 2 13.984 5.904 -6.136
14 H GLN 3 HN GLN 3 11.529 -1.569 -4.744
15 HA GLN 3 HA GLN 3 8.699 -1.237 -5.227
16 HB2 GLN 3 HB2 GLN 3 10.010 -3.151 -3.273
17 HB3 GLN 3 HB1 GLN 3 8.421 -3.308 -4.025
18 HG2 GLN 3 HG2 GLN 3 9.508 -3.429 -6.254
19 HG3 GLN 3 HG1 GLN 3 11.087 -3.344 -5.471
20 HE21 GLN 3 HE21 GLN 3 10.455 -5.029 -3.189
21 HE22 GLN 3 HE22 GLN 3 10.244 -6.612 -3.765
22 H TYR 4 HN TYR 4 7.067 -0.788 -3.717
23 HA TYR 4 HA TYR 4 7.674 1.162 -1.746
24 HB2 TYR 4 HB2 TYR 4 5.028 0.048 -1.275
25 HB3 TYR 4 HB1 TYR 4 5.431 1.580 -2.020
26 HD1 TYR 4 HD2 TYR 4 6.392 1.398 -4.498
27 HD2 TYR 4 HD1 TYR 4 3.822 -1.504 -2.635
28 HE1 TYR 4 HE2 TYR 4 5.698 0.571 -6.727
29 HE2 TYR 4 HE1 TYR 4 3.137 -2.323 -4.863
30 HH TYR 4 HH TYR 4 3.788 -0.624 -7.732
31 H THR 5 HN THR 5 8.541 0.777 0.269
32 HA THR 5 HA THR 5 8.005 -1.885 1.605
33 HB THR 5 HB THR 5 10.211 -1.880 2.431
34 HG1 THR 5 HG1 THR 5 10.160 0.278 3.169
35 HG21 THR 5 HG21 THR 5 10.002 -2.035 -0.160
36 HG22 THR 5 HG22 THR 5 11.605 -1.732 0.514
37 HG23 THR 5 HG23 THR 5 10.666 -0.400 -0.154
38 H ALA 6 HN ALA 6 8.169 1.582 2.017
39 HA ALA 6 HA ALA 6 7.754 1.470 4.946
40 HB1 ALA 6 HB1 ALA 6 7.777 3.904 4.812
41 HB2 ALA 6 HB2 ALA 6 7.619 3.856 3.053
42 HB3 ALA 6 HB3 ALA 6 9.106 3.289 3.828
43 H1 NAL 7 H1 NAL 7 3.001 4.885 0.927
44 H3 NAL 7 H3 NAL 7 6.315 2.379 -0.140
45 H4 NAL 7 H4 NAL 7 7.524 4.326 -1.096
46 H5 NAL 7 H5 NAL 7 7.593 6.847 -1.647
47 H6 NAL 7 H6 NAL 7 6.502 9.071 -1.597
48 H7 NAL 7 H7 NAL 7 4.243 9.342 -0.604
49 H8 NAL 7 H8 NAL 7 3.051 7.388 0.351
50 H91 NAL 7 H91 NAL 7 2.810 2.526 0.771
51 H92 NAL 7 H92 NAL 7 4.258 1.518 0.686
52 H10 NAL 7 H10 NAL 7 3.699 3.550 2.883
53 HN1 NAL 7 HN1 NAL 7 6.119 2.594 2.084
54 H ILE 8 HN ILE 8 4.421 0.088 2.493
55 HA ILE 8 HA ILE 8 2.299 -0.532 4.486
56 HB ILE 8 HB ILE 8 1.555 -2.350 2.650
57 HG12 ILE 8 HG12 ILE 8 1.537 -1.395 0.383
58 HG13 ILE 8 HG11 ILE 8 2.431 0.016 0.930
59 HG21 ILE 8 HG21 ILE 8 0.678 0.553 2.475
60 HG22 ILE 8 HG22 ILE 8 0.078 -0.614 3.664
61 HG23 ILE 8 HG23 ILE 8 -0.247 -0.853 1.948
62 HD11 ILE 8 HD11 ILE 8 4.398 -1.340 1.346
63 HD12 ILE 8 HD12 ILE 8 3.808 -1.711 -0.264
64 HD13 ILE 8 HD13 ILE 8 3.486 -2.825 1.050
65 H LYS 9 HN LYS 9 3.621 -1.512 5.920
66 HA LYS 9 HA LYS 9 5.744 -3.306 5.081
67 HB2 LYS 9 HB2 LYS 9 5.957 -1.811 7.080
68 HB3 LYS 9 HB1 LYS 9 4.733 -2.795 7.888
69 HG2 LYS 9 HG2 LYS 9 6.145 -4.771 7.729
70 HG3 LYS 9 HG1 LYS 9 7.337 -3.883 6.779
71 HD2 LYS 9 HD2 LYS 9 7.754 -2.376 8.672
72 HD3 LYS 9 HD1 LYS 9 6.532 -3.218 9.625
73 HE2 LYS 9 HE2 LYS 9 7.852 -5.324 9.385
74 HE3 LYS 9 HE1 LYS 9 9.103 -4.409 8.545
75 HZ1 LYS 9 HZ1 LYS 9 9.842 -4.375 10.706
76 HZ2 LYS 9 HZ2 LYS 9 8.280 -4.271 11.366
77 HZ3 LYS 9 HZ3 LYS 9 8.986 -2.912 10.631
78 H GLY 10 HN GLY 10 5.438 -5.423 4.647
79 HA2 GLY 10 HA2 GLY 10 4.807 -7.655 5.232
80 HA3 GLY 10 HA1 GLY 10 3.566 -7.023 6.306
81 H ARG 11 HN ARG 11 2.727 -5.201 3.881
82 HA ARG 11 HA ARG 11 1.357 -7.335 2.247
83 HB2 ARG 11 HB2 ARG 11 0.054 -4.860 3.419
84 HB3 ARG 11 HB1 ARG 11 -0.727 -6.046 2.372
85 HG2 ARG 11 HG2 ARG 11 -0.319 -7.804 4.056
86 HG3 ARG 11 HG1 ARG 11 0.459 -6.618 5.105
87 HD2 ARG 11 HD2 ARG 11 -1.621 -5.331 5.238
88 HD3 ARG 11 HD1 ARG 11 -2.409 -6.456 4.132
89 HE ARG 11 HE ARG 11 -1.507 -8.072 6.203
90 HH11 ARG 11 HH21 ARG 11 -3.436 -5.221 5.912
91 HH12 ARG 11 HH22 ARG 11 -4.407 -5.580 7.300
92 HH21 ARG 11 HH11 ARG 11 -2.767 -8.550 8.015
93 HH22 ARG 11 HH12 ARG 11 -4.029 -7.462 8.489
94 H THR 12 HN THR 12 2.560 -6.917 0.370
95 HA THR 12 HA THR 12 2.547 -4.167 -0.714
96 HB THR 12 HB THR 12 4.057 -5.754 -2.474
97 HG1 THR 12 HG1 THR 12 4.482 -6.555 0.212
98 HG21 THR 12 HG21 THR 12 4.671 -3.508 -1.598
99 HG22 THR 12 HG22 THR 12 6.009 -4.654 -1.488
100 HG23 THR 12 HG23 THR 12 5.080 -4.244 -0.047
101 H PHE 13 HN PHE 13 1.984 -3.954 -3.034
102 HA PHE 13 HA PHE 13 -0.084 -5.963 -3.914
103 HB2 PHE 13 HB2 PHE 13 -0.136 -2.953 -4.264
104 HB3 PHE 13 HB1 PHE 13 -1.401 -4.088 -4.743
105 HD1 PHE 13 HD1 PHE 13 0.498 -2.777 -1.801
106 HD2 PHE 13 HD2 PHE 13 -3.029 -4.829 -3.149
107 HE1 PHE 13 HE1 PHE 13 -0.423 -2.741 0.500
108 HE2 PHE 13 HE2 PHE 13 -3.956 -4.744 -0.856
109 HZ PHE 13 HZ PHE 13 -2.645 -3.687 0.958
110 H ARG 14 HN ARG 14 0.150 -6.692 -5.970
111 HA ARG 14 HA ARG 14 2.488 -6.015 -7.513
112 HB2 ARG 14 HB2 ARG 14 1.270 -8.194 -7.774
113 HB3 ARG 14 HB1 ARG 14 -0.081 -7.322 -8.500
114 HG2 ARG 14 HG2 ARG 14 1.332 -6.572 -10.339
115 HG3 ARG 14 HG1 ARG 14 2.751 -7.306 -9.589
116 HD2 ARG 14 HD2 ARG 14 0.287 -8.804 -10.523
117 HD3 ARG 14 HD1 ARG 14 1.834 -8.753 -11.367
118 HE ARG 14 HE ARG 14 2.487 -9.658 -8.825
119 HH11 ARG 14 HH21 ARG 14 0.273 -10.575 -11.312
120 HH12 ARG 14 HH22 ARG 14 0.314 -12.259 -10.908
121 HH21 ARG 14 HH11 ARG 14 2.550 -11.851 -8.290
122 HH22 ARG 14 HH12 ARG 14 1.602 -12.980 -9.199
123 H ASN 15 HN ASN 15 -0.909 -5.080 -7.661
124 HA ASN 15 HA ASN 15 -0.287 -2.948 -9.679
125 HB2 ASN 15 HB2 ASN 15 -2.997 -2.803 -9.374
126 HB3 ASN 15 HB1 ASN 15 -2.229 -3.862 -10.560
127 HD21 ASN 15 HD21 ASN 15 -3.957 -5.441 -10.414
128 HD22 ASN 15 HD22 ASN 15 -4.136 -6.438 -9.052
129 H GLU 16 HN GLU 16 -0.099 -0.912 -8.933
130 HA GLU 16 HA GLU 16 -0.367 -0.340 -6.137
131 HB2 GLU 16 HB2 GLU 16 -0.122 1.471 -8.566
132 HB3 GLU 16 HB1 GLU 16 -0.166 2.093 -6.916
133 HG2 GLU 16 HG2 GLU 16 1.812 0.718 -6.349
134 HG3 GLU 16 HG1 GLU 16 1.866 0.120 -8.006
135 H LYS 17 HN LYS 17 -2.643 -0.405 -8.743
136 HA LYS 17 HA LYS 17 -4.541 1.428 -7.723
137 HB2 LYS 17 HB2 LYS 17 -4.515 -0.769 -9.720
138 HB3 LYS 17 HB1 LYS 17 -6.093 -0.543 -8.974
139 HG2 LYS 17 HG2 LYS 17 -6.004 0.836 -10.949
140 HG3 LYS 17 HG1 LYS 17 -5.942 1.905 -9.548
141 HD2 LYS 17 HD2 LYS 17 -3.511 2.100 -9.766
142 HD3 LYS 17 HD1 LYS 17 -3.512 0.939 -11.092
143 HE2 LYS 17 HE2 LYS 17 -4.888 2.459 -12.444
144 HE3 LYS 17 HE1 LYS 17 -4.935 3.616 -11.114
145 HZ1 LYS 17 HZ1 LYS 17 -2.363 2.664 -12.199
146 HZ2 LYS 17 HZ2 LYS 17 -2.694 4.085 -11.330
147 HZ3 LYS 17 HZ3 LYS 17 -3.197 3.938 -12.946
148 H GLU 18 HN GLU 18 -4.187 -2.086 -7.207
149 HA GLU 18 HA GLU 18 -6.363 -2.389 -5.449
150 HB2 GLU 18 HB2 GLU 18 -3.719 -3.855 -5.534
151 HB3 GLU 18 HB1 GLU 18 -5.106 -4.374 -4.574
152 HG2 GLU 18 HG2 GLU 18 -5.211 -3.949 -7.575
153 HG3 GLU 18 HG1 GLU 18 -4.906 -5.512 -6.820
154 H LEU 19 HN LEU 19 -3.137 -1.158 -4.957
155 HA LEU 19 HA LEU 19 -3.323 -1.075 -2.053
156 HB2 LEU 19 HB2 LEU 19 -1.130 -1.149 -2.959
157 HB3 LEU 19 HB1 LEU 19 -1.469 0.130 -4.096
158 HG LEU 19 HG LEU 19 -1.615 1.715 -2.129
159 HD11 LEU 19 HD11 LEU 19 -0.451 -0.623 -0.640
160 HD12 LEU 19 HD12 LEU 19 -2.063 0.018 -0.373
161 HD13 LEU 19 HD13 LEU 19 -0.650 1.000 -0.003
162 HD21 LEU 19 HD21 LEU 19 0.813 1.835 -1.802
163 HD22 LEU 19 HD22 LEU 19 0.419 1.523 -3.493
164 HD23 LEU 19 HD23 LEU 19 0.978 0.206 -2.461
165 H ARG 20 HN ARG 20 -3.961 1.156 -4.733
166 HA ARG 20 HA ARG 20 -4.420 3.517 -3.202
167 HB2 ARG 20 HB2 ARG 20 -4.245 3.414 -5.710
168 HB3 ARG 20 HB1 ARG 20 -5.847 2.680 -5.744
169 HG2 ARG 20 HG2 ARG 20 -6.785 4.676 -4.623
170 HG3 ARG 20 HG1 ARG 20 -5.181 5.411 -4.598
171 HD2 ARG 20 HD2 ARG 20 -6.675 4.573 -7.099
172 HD3 ARG 20 HD1 ARG 20 -6.540 6.228 -6.505
173 HE ARG 20 HE ARG 20 -3.906 5.374 -6.710
174 HH11 ARG 20 HH21 ARG 20 -6.657 5.517 -8.793
175 HH12 ARG 20 HH22 ARG 20 -5.719 5.732 -10.233
176 HH21 ARG 20 HH11 ARG 20 -2.673 5.654 -8.580
177 HH22 ARG 20 HH12 ARG 20 -3.465 5.810 -10.112
178 H ASP 21 HN ASP 21 -6.464 0.834 -4.086
179 HA ASP 21 HA ASP 21 -8.862 1.883 -2.907
180 HB2 ASP 21 HB2 ASP 21 -8.104 -0.926 -3.744
181 HB3 ASP 21 HB1 ASP 21 -9.715 -0.457 -3.198
182 H PHE 22 HN PHE 22 -6.585 -0.686 -1.909
183 HA PHE 22 HA PHE 22 -7.798 -1.138 0.601
184 HB2 PHE 22 HB2 PHE 22 -5.109 -1.691 -0.593
185 HB3 PHE 22 HB1 PHE 22 -5.253 -1.849 1.148
186 HD1 PHE 22 HD1 PHE 22 -7.734 -2.626 -1.557
187 HD2 PHE 22 HD2 PHE 22 -5.232 -4.186 1.574
188 HE1 PHE 22 HE1 PHE 22 -8.736 -4.862 -1.863
189 HE2 PHE 22 HE2 PHE 22 -6.242 -6.415 1.262
190 HZ PHE 22 HZ PHE 22 -7.995 -6.763 -0.456
191 H ILE 23 HN ILE 23 -5.735 1.366 -0.554
192 HA ILE 23 HA ILE 23 -4.811 2.328 2.003
193 HB ILE 23 HB ILE 23 -4.940 3.336 -0.813
194 HG12 ILE 23 HG12 ILE 23 -2.770 3.462 1.319
195 HG13 ILE 23 HG11 ILE 23 -2.950 2.160 0.153
196 HG21 ILE 23 HG21 ILE 23 -5.852 5.297 0.171
197 HG22 ILE 23 HG22 ILE 23 -4.143 5.639 -0.035
198 HG23 ILE 23 HG23 ILE 23 -4.764 5.198 1.556
199 HD11 ILE 23 HD11 ILE 23 -2.651 3.818 -1.680
200 HD12 ILE 23 HD12 ILE 23 -1.245 3.708 -0.631
201 HD13 ILE 23 HD13 ILE 23 -2.363 5.061 -0.473
202 H GLU 24 HN GLU 24 -7.610 2.873 -0.003
203 HA GLU 24 HA GLU 24 -8.751 4.979 1.527
204 HB2 GLU 24 HB2 GLU 24 -10.118 2.876 -0.170
205 HB3 GLU 24 HB1 GLU 24 -10.972 4.219 0.572
206 HG2 GLU 24 HG2 GLU 24 -8.597 4.592 -1.280
207 HG3 GLU 24 HG1 GLU 24 -10.270 4.606 -1.835
208 H LYS 25 HN LYS 25 -8.614 1.530 2.013
209 HA LYS 25 HA LYS 25 -10.656 1.474 4.099
210 HB2 LYS 25 HB2 LYS 25 -10.184 -0.570 2.870
211 HB3 LYS 25 HB1 LYS 25 -8.487 -0.502 3.317
212 HG2 LYS 25 HG2 LYS 25 -9.797 -2.155 4.654
213 HG3 LYS 25 HG1 LYS 25 -9.015 -0.934 5.650
214 HD2 LYS 25 HD2 LYS 25 -11.067 0.218 6.052
215 HD3 LYS 25 HD1 LYS 25 -11.885 -0.598 4.720
216 HE2 LYS 25 HE2 LYS 25 -11.729 -2.742 5.952
217 HE3 LYS 25 HE1 LYS 25 -10.935 -1.908 7.289
218 HZ1 LYS 25 HZ1 LYS 25 -12.931 -1.413 8.070
219 HZ2 LYS 25 HZ2 LYS 25 -13.689 -2.111 6.718
220 HZ3 LYS 25 HZ3 LYS 25 -13.233 -0.475 6.690
221 H PHE 26 HN PHE 26 -7.057 1.457 4.095
222 HA PHE 26 HA PHE 26 -6.785 1.434 6.949
223 HB2 PHE 26 HB2 PHE 26 -4.848 2.892 5.123
224 HB3 PHE 26 HB1 PHE 26 -4.502 2.051 6.629
225 HD1 PHE 26 HD1 PHE 26 -6.121 -0.540 5.991
226 HD2 PHE 26 HD2 PHE 26 -3.285 1.765 3.706
227 HE1 PHE 26 HE1 PHE 26 -5.497 -2.559 4.719
228 HE2 PHE 26 HE2 PHE 26 -2.675 -0.274 2.426
229 HZ PHE 26 HZ PHE 26 -3.777 -2.432 2.943
230 H11A DNS 27 H22 DNS 27 -1.955 1.785 8.478
231 H12 DNS 27 H23 DNS 27 -0.836 0.474 8.863
232 H13 DNS 27 H24 DNS 27 -1.465 0.647 7.210
233 H21 DNS 27 H21 DNS 27 2.040 1.863 7.162
234 H22 DNS 27 H19 DNS 27 0.951 0.614 6.529
235 H23 DNS 27 H20 DNS 27 1.441 0.572 8.226
236 H4 DNS 27 H14 DNS 27 -0.734 1.402 5.231
237 H5 DNS 27 H15 DNS 27 -1.290 3.085 3.459
238 H6 DNS 27 H16 DNS 27 -1.175 5.536 3.971
239 HZ DNS 27 HZ1 DNS 27 -2.945 7.632 5.783
240 HE3 DNS 27 HE1 DNS 27 -2.628 8.184 3.195
241 HE2 DNS 27 HE2 DNS 27 -2.974 6.462 3.168
242 HD3 DNS 27 HD1 DNS 27 -4.668 8.637 4.405
243 HD2 DNS 27 HD2 DNS 27 -5.051 7.664 2.985
244 HG3 DNS 27 HG1 DNS 27 -4.938 5.620 4.480
245 HG2 DNS 27 HG2 DNS 27 -4.816 6.714 5.858
246 HB3 DNS 27 HB1 DNS 27 -6.960 7.798 5.089
247 HB2 DNS 27 HB2 DNS 27 -7.112 6.524 3.879
248 HA DNS 27 HA DNS 27 -6.955 6.105 6.884
249 H DNS 27 HN DNS 27 -6.848 4.167 4.649
250 H9 DNS 27 H9 DNS 27 -0.074 8.122 7.880
251 H10 DNS 27 H10 DNS 27 0.478 6.437 9.639
252 H11 DNS 27 H11 DNS 27 0.374 3.992 9.122
253 H GLY 28 HN GLY 28 -8.759 7.853 5.140
254 HA2 GLY 28 HA2 GLY 28 -11.060 8.224 4.813
255 HA3 GLY 28 HA1 GLY 28 -11.336 6.500 5.064
256 H ARG 29 HN ARG 29 -9.947 9.064 7.128
257 HA ARG 29 HA ARG 29 -10.989 8.044 9.557
258 HB2 ARG 29 HB2 ARG 29 -10.553 10.278 10.492
259 HB3 ARG 29 HB1 ARG 29 -9.221 9.771 9.454
260 HG2 ARG 29 HG2 ARG 29 -10.312 11.073 7.572
261 HG3 ARG 29 HG1 ARG 29 -11.449 11.711 8.760
262 HD2 ARG 29 HD2 ARG 29 -8.434 12.019 8.838
263 HD3 ARG 29 HD1 ARG 29 -9.598 13.286 8.450
264 HE ARG 29 HE ARG 29 -10.394 12.386 10.955
265 HH11 ARG 29 HH21 ARG 29 -7.475 13.561 9.530
266 HH12 ARG 29 HH22 ARG 29 -6.886 14.262 11.000
267 HH21 ARG 29 HH11 ARG 29 -9.636 13.294 12.876
268 HH22 ARG 29 HH12 ARG 29 -8.109 14.110 12.893
Start of MODEL 4
1 H1 GLY 1 HT1 GLY 1 10.348 2.596 -9.638
2 H2 GLY 1 HT2 GLY 1 10.370 2.060 -11.249
3 H3 GLY 1 HT3 GLY 1 11.739 2.818 -10.585
4 HA2 GLY 1 HA2 GLY 1 11.047 0.026 -10.668
5 HA3 GLY 1 HA1 GLY 1 12.442 0.821 -9.878
6 H GLN 2 HN GLN 2 11.700 2.453 -8.004
7 HA GLN 2 HA GLN 2 12.537 0.586 -5.978
8 HB2 GLN 2 HB2 GLN 2 11.263 3.319 -5.626
9 HB3 GLN 2 HB1 GLN 2 12.186 2.438 -4.409
10 HG2 GLN 2 HG2 GLN 2 13.303 3.302 -7.093
11 HG3 GLN 2 HG1 GLN 2 13.530 4.196 -5.592
12 HE21 GLN 2 HE21 GLN 2 14.856 1.718 -7.524
13 HE22 GLN 2 HE22 GLN 2 15.913 1.056 -6.370
14 H GLN 3 HN GLN 3 11.197 -1.025 -5.290
15 HA GLN 3 HA GLN 3 8.318 -0.857 -5.490
16 HB2 GLN 3 HB2 GLN 3 9.931 -2.778 -3.784
17 HB3 GLN 3 HB1 GLN 3 8.276 -2.996 -4.360
18 HG2 GLN 3 HG2 GLN 3 10.713 -2.748 -6.155
19 HG3 GLN 3 HG1 GLN 3 9.924 -4.265 -5.729
20 HE21 GLN 3 HE21 GLN 3 7.943 -4.800 -6.796
21 HE22 GLN 3 HE22 GLN 3 7.266 -3.837 -8.019
22 H TYR 4 HN TYR 4 6.816 -0.591 -3.827
23 HA TYR 4 HA TYR 4 7.468 1.298 -1.816
24 HB2 TYR 4 HB2 TYR 4 4.961 -0.084 -1.220
25 HB3 TYR 4 HB1 TYR 4 5.181 1.548 -1.805
26 HD1 TYR 4 HD2 TYR 4 5.816 1.808 -4.330
27 HD2 TYR 4 HD1 TYR 4 3.899 -1.663 -2.672
28 HE1 TYR 4 HE2 TYR 4 5.007 1.174 -6.583
29 HE2 TYR 4 HE1 TYR 4 3.102 -2.293 -4.926
30 HH TYR 4 HH TYR 4 4.280 -1.349 -7.634
31 H THR 5 HN THR 5 8.523 0.889 0.105
32 HA THR 5 HA THR 5 8.305 -1.866 1.336
33 HB THR 5 HB THR 5 10.556 -1.687 2.030
34 HG1 THR 5 HG1 THR 5 11.477 0.599 1.396
35 HG21 THR 5 HG21 THR 5 10.179 -1.847 -0.529
36 HG22 THR 5 HG22 THR 5 11.790 -1.378 0.019
37 HG23 THR 5 HG23 THR 5 10.667 -0.153 -0.562
38 H ALA 6 HN ALA 6 8.185 1.577 1.913
39 HA ALA 6 HA ALA 6 7.934 1.242 4.863
40 HB1 ALA 6 HB1 ALA 6 9.272 3.135 3.860
41 HB2 ALA 6 HB2 ALA 6 7.971 3.677 4.919
42 HB3 ALA 6 HB3 ALA 6 7.772 3.768 3.165
43 H1 NAL 7 H1 NAL 7 3.122 4.956 1.212
44 H3 NAL 7 H3 NAL 7 6.299 2.419 -0.154
45 H4 NAL 7 H4 NAL 7 7.504 4.373 -1.096
46 H5 NAL 7 H5 NAL 7 7.611 6.914 -1.541
47 H6 NAL 7 H6 NAL 7 6.585 9.159 -1.336
48 H7 NAL 7 H7 NAL 7 4.395 9.442 -0.201
49 H8 NAL 7 H8 NAL 7 3.206 7.478 0.737
50 H91 NAL 7 H91 NAL 7 2.858 2.600 0.940
51 H92 NAL 7 H92 NAL 7 4.281 1.567 0.766
52 H10 NAL 7 H10 NAL 7 3.852 3.540 3.045
53 HN1 NAL 7 HN1 NAL 7 6.225 2.604 2.144
54 H ILE 8 HN ILE 8 4.453 0.074 2.510
55 HA ILE 8 HA ILE 8 2.419 -0.553 4.578
56 HB ILE 8 HB ILE 8 1.524 -2.277 2.710
57 HG12 ILE 8 HG12 ILE 8 1.390 -1.200 0.495
58 HG13 ILE 8 HG11 ILE 8 2.379 0.141 1.056
59 HG21 ILE 8 HG21 ILE 8 0.707 0.649 2.710
60 HG22 ILE 8 HG22 ILE 8 0.150 -0.555 3.883
61 HG23 ILE 8 HG23 ILE 8 -0.278 -0.718 2.179
62 HD11 ILE 8 HD11 ILE 8 3.530 -1.681 -0.311
63 HD12 ILE 8 HD12 ILE 8 3.353 -2.719 1.086
64 HD13 ILE 8 HD13 ILE 8 4.314 -1.236 1.199
65 H LYS 9 HN LYS 9 3.566 -1.792 5.903
66 HA LYS 9 HA LYS 9 5.687 -3.549 4.904
67 HB2 LYS 9 HB2 LYS 9 6.104 -2.114 6.877
68 HB3 LYS 9 HB1 LYS 9 4.833 -2.963 7.749
69 HG2 LYS 9 HG2 LYS 9 6.958 -4.716 6.546
70 HG3 LYS 9 HG1 LYS 9 7.501 -3.681 7.856
71 HD2 LYS 9 HD2 LYS 9 4.967 -5.287 8.266
72 HD3 LYS 9 HD1 LYS 9 6.513 -6.117 8.363
73 HE2 LYS 9 HE2 LYS 9 5.620 -5.227 10.571
74 HE3 LYS 9 HE1 LYS 9 7.258 -4.720 10.165
75 HZ1 LYS 9 HZ1 LYS 9 6.364 -2.641 9.316
76 HZ2 LYS 9 HZ2 LYS 9 5.938 -2.863 10.946
77 HZ3 LYS 9 HZ3 LYS 9 4.790 -3.129 9.722
78 H GLY 10 HN GLY 10 5.605 -5.759 4.909
79 HA2 GLY 10 HA2 GLY 10 4.820 -7.933 5.342
80 HA3 GLY 10 HA1 GLY 10 3.644 -7.256 6.462
81 H ARG 11 HN ARG 11 2.770 -5.408 4.103
82 HA ARG 11 HA ARG 11 1.269 -7.462 2.487
83 HB2 ARG 11 HB2 ARG 11 0.095 -4.972 3.764
84 HB3 ARG 11 HB1 ARG 11 -0.764 -6.096 2.710
85 HG2 ARG 11 HG2 ARG 11 -0.375 -7.918 4.328
86 HG3 ARG 11 HG1 ARG 11 0.483 -6.795 5.386
87 HD2 ARG 11 HD2 ARG 11 -1.539 -5.430 5.619
88 HD3 ARG 11 HD1 ARG 11 -2.405 -6.494 4.511
89 HE ARG 11 HE ARG 11 -1.501 -8.198 6.510
90 HH11 ARG 11 HH21 ARG 11 -3.326 -5.270 6.352
91 HH12 ARG 11 HH22 ARG 11 -4.267 -5.626 7.761
92 HH21 ARG 11 HH11 ARG 11 -2.724 -8.676 8.348
93 HH22 ARG 11 HH12 ARG 11 -3.927 -7.553 8.890
94 H THR 12 HN THR 12 2.409 -7.041 0.573
95 HA THR 12 HA THR 12 2.425 -4.264 -0.451
96 HB THR 12 HB THR 12 3.960 -5.772 -2.230
97 HG1 THR 12 HG1 THR 12 5.119 -6.604 0.057
98 HG21 THR 12 HG21 THR 12 5.909 -4.739 -1.131
99 HG22 THR 12 HG22 THR 12 4.917 -4.341 0.271
100 HG23 THR 12 HG23 THR 12 4.587 -3.582 -1.286
101 H PHE 13 HN PHE 13 1.897 -3.992 -2.735
102 HA PHE 13 HA PHE 13 -0.214 -5.926 -3.670
103 HB2 PHE 13 HB2 PHE 13 -0.044 -2.925 -4.076
104 HB3 PHE 13 HB1 PHE 13 -1.363 -3.978 -4.596
105 HD1 PHE 13 HD1 PHE 13 0.458 -2.673 -1.602
106 HD2 PHE 13 HD2 PHE 13 -3.061 -4.672 -3.047
107 HE1 PHE 13 HE1 PHE 13 -0.557 -2.555 0.658
108 HE2 PHE 13 HE2 PHE 13 -4.079 -4.507 -0.800
109 HZ PHE 13 HZ PHE 13 -2.818 -3.437 1.043
110 H ARG 14 HN ARG 14 0.069 -6.743 -5.686
111 HA ARG 14 HA ARG 14 2.506 -6.258 -7.140
112 HB2 ARG 14 HB2 ARG 14 1.212 -8.371 -7.400
113 HB3 ARG 14 HB1 ARG 14 -0.095 -7.467 -8.168
114 HG2 ARG 14 HG2 ARG 14 1.330 -6.848 -10.023
115 HG3 ARG 14 HG1 ARG 14 2.749 -7.524 -9.223
116 HD2 ARG 14 HD2 ARG 14 0.314 -9.139 -10.031
117 HD3 ARG 14 HD1 ARG 14 1.799 -9.037 -10.977
118 HE ARG 14 HE ARG 14 2.658 -9.822 -8.453
119 HH11 ARG 14 HH21 ARG 14 0.359 -10.938 -10.777
120 HH12 ARG 14 HH22 ARG 14 0.516 -12.602 -10.325
121 HH21 ARG 14 HH11 ARG 14 2.869 -11.987 -7.853
122 HH22 ARG 14 HH12 ARG 14 1.935 -13.196 -8.671
123 H ASN 15 HN ASN 15 -0.829 -5.154 -7.518
124 HA ASN 15 HA ASN 15 0.064 -3.071 -9.492
125 HB2 ASN 15 HB2 ASN 15 -2.575 -2.825 -9.661
126 HB3 ASN 15 HB1 ASN 15 -1.743 -4.088 -10.570
127 HD21 ASN 15 HD21 ASN 15 -3.987 -5.113 -10.425
128 HD22 ASN 15 HD22 ASN 15 -4.327 -6.067 -9.062
129 H GLU 16 HN GLU 16 0.175 -1.033 -8.764
130 HA GLU 16 HA GLU 16 -0.379 -0.400 -6.049
131 HB2 GLU 16 HB2 GLU 16 1.208 0.944 -7.330
132 HB3 GLU 16 HB1 GLU 16 -0.051 1.403 -8.473
133 HG2 GLU 16 HG2 GLU 16 -1.209 2.704 -6.807
134 HG3 GLU 16 HG1 GLU 16 -0.186 2.071 -5.520
135 H LYS 17 HN LYS 17 -2.371 -0.590 -8.840
136 HA LYS 17 HA LYS 17 -4.462 1.163 -8.257
137 HB2 LYS 17 HB2 LYS 17 -4.189 -0.341 -10.305
138 HB3 LYS 17 HB1 LYS 17 -4.847 -1.648 -9.330
139 HG2 LYS 17 HG2 LYS 17 -6.880 -0.297 -8.896
140 HG3 LYS 17 HG1 LYS 17 -6.243 0.988 -9.917
141 HD2 LYS 17 HD2 LYS 17 -6.556 -1.829 -11.008
142 HD3 LYS 17 HD1 LYS 17 -7.931 -0.731 -10.969
143 HE2 LYS 17 HE2 LYS 17 -6.567 0.939 -12.267
144 HE3 LYS 17 HE1 LYS 17 -5.303 -0.280 -12.421
145 HZ1 LYS 17 HZ1 LYS 17 -8.100 -0.755 -13.261
146 HZ2 LYS 17 HZ2 LYS 17 -6.726 -1.685 -13.629
147 HZ3 LYS 17 HZ3 LYS 17 -6.916 -0.141 -14.310
148 H GLU 18 HN GLU 18 -3.960 -2.174 -7.127
149 HA GLU 18 HA GLU 18 -6.314 -2.249 -5.506
150 HB2 GLU 18 HB2 GLU 18 -3.771 -3.874 -5.433
151 HB3 GLU 18 HB1 GLU 18 -5.188 -4.229 -4.442
152 HG2 GLU 18 HG2 GLU 18 -5.269 -4.034 -7.467
153 HG3 GLU 18 HG1 GLU 18 -5.049 -5.550 -6.594
154 H LEU 19 HN LEU 19 -3.006 -1.191 -4.911
155 HA LEU 19 HA LEU 19 -3.326 -0.982 -2.052
156 HB2 LEU 19 HB2 LEU 19 -1.090 -1.032 -2.872
157 HB3 LEU 19 HB1 LEU 19 -1.408 0.234 -4.034
158 HG LEU 19 HG LEU 19 -1.611 1.857 -2.156
159 HD11 LEU 19 HD11 LEU 19 -2.272 0.259 -0.365
160 HD12 LEU 19 HD12 LEU 19 -0.880 1.232 0.083
161 HD13 LEU 19 HD13 LEU 19 -0.656 -0.425 -0.444
162 HD21 LEU 19 HD21 LEU 19 0.940 0.250 -2.212
163 HD22 LEU 19 HD22 LEU 19 0.788 1.891 -1.586
164 HD23 LEU 19 HD23 LEU 19 0.528 1.574 -3.298
165 H ARG 20 HN ARG 20 -3.978 1.133 -4.797
166 HA ARG 20 HA ARG 20 -4.480 3.552 -3.364
167 HB2 ARG 20 HB2 ARG 20 -4.298 3.321 -5.873
168 HB3 ARG 20 HB1 ARG 20 -5.905 2.595 -5.864
169 HG2 ARG 20 HG2 ARG 20 -6.781 4.667 -4.757
170 HG3 ARG 20 HG1 ARG 20 -5.179 5.389 -4.926
171 HD2 ARG 20 HD2 ARG 20 -6.898 4.375 -7.209
172 HD3 ARG 20 HD1 ARG 20 -6.670 6.069 -6.778
173 HE ARG 20 HE ARG 20 -4.086 5.115 -7.143
174 HH11 ARG 20 HH21 ARG 20 -7.014 5.177 -8.975
175 HH12 ARG 20 HH22 ARG 20 -6.207 5.240 -10.506
176 HH21 ARG 20 HH11 ARG 20 -3.024 5.198 -9.132
177 HH22 ARG 20 HH12 ARG 20 -3.951 5.254 -10.595
178 H ASP 21 HN ASP 21 -6.432 0.759 -4.078
179 HA ASP 21 HA ASP 21 -8.872 1.804 -2.980
180 HB2 ASP 21 HB2 ASP 21 -8.021 -1.020 -3.662
181 HB3 ASP 21 HB1 ASP 21 -9.643 -0.583 -3.128
182 H PHE 22 HN PHE 22 -6.528 -0.641 -1.836
183 HA PHE 22 HA PHE 22 -7.731 -0.965 0.701
184 HB2 PHE 22 HB2 PHE 22 -5.021 -1.515 -0.449
185 HB3 PHE 22 HB1 PHE 22 -5.166 -1.561 1.300
186 HD1 PHE 22 HD2 PHE 22 -7.598 -2.588 -1.368
187 HD2 PHE 22 HD1 PHE 22 -5.104 -3.860 1.897
188 HE1 PHE 22 HE2 PHE 22 -8.544 -4.863 -1.526
189 HE2 PHE 22 HE1 PHE 22 -6.055 -6.130 1.730
190 HZ PHE 22 HZ PHE 22 -7.777 -6.640 0.022
191 H ILE 23 HN ILE 23 -5.729 1.514 -0.609
192 HA ILE 23 HA ILE 23 -4.836 2.670 1.870
193 HB ILE 23 HB ILE 23 -5.012 3.492 -1.000
194 HG12 ILE 23 HG12 ILE 23 -2.854 3.860 1.116
195 HG13 ILE 23 HG11 ILE 23 -2.977 2.475 0.044
196 HG21 ILE 23 HG21 ILE 23 -4.321 5.876 -0.376
197 HG22 ILE 23 HG22 ILE 23 -4.924 5.515 1.240
198 HG23 ILE 23 HG23 ILE 23 -6.016 5.472 -0.147
199 HD11 ILE 23 HD11 ILE 23 -1.326 4.084 -0.802
200 HD12 ILE 23 HD12 ILE 23 -2.555 5.346 -0.825
201 HD13 ILE 23 HD13 ILE 23 -2.691 3.964 -1.901
202 H GLU 24 HN GLU 24 -7.663 3.012 -0.145
203 HA GLU 24 HA GLU 24 -8.875 5.143 1.302
204 HB2 GLU 24 HB2 GLU 24 -10.170 2.920 -0.299
205 HB3 GLU 24 HB1 GLU 24 -11.067 4.264 0.391
206 HG2 GLU 24 HG2 GLU 24 -9.665 5.854 -0.882
207 HG3 GLU 24 HG1 GLU 24 -8.795 4.502 -1.604
208 H LYS 25 HN LYS 25 -8.564 1.741 1.943
209 HA LYS 25 HA LYS 25 -10.607 1.638 4.022
210 HB2 LYS 25 HB2 LYS 25 -9.726 -0.357 2.716
211 HB3 LYS 25 HB1 LYS 25 -8.245 -0.237 3.664
212 HG2 LYS 25 HG2 LYS 25 -9.720 -0.383 5.752
213 HG3 LYS 25 HG1 LYS 25 -11.048 -0.808 4.674
214 HD2 LYS 25 HD2 LYS 25 -8.424 -2.315 4.917
215 HD3 LYS 25 HD1 LYS 25 -9.966 -2.826 5.604
216 HE2 LYS 25 HE2 LYS 25 -9.874 -4.047 3.585
217 HE3 LYS 25 HE1 LYS 25 -10.840 -2.645 3.124
218 HZ1 LYS 25 HZ1 LYS 25 -8.039 -2.150 2.876
219 HZ2 LYS 25 HZ2 LYS 25 -9.273 -1.982 1.719
220 HZ3 LYS 25 HZ3 LYS 25 -8.518 -3.487 1.949
221 H PHE 26 HN PHE 26 -7.016 1.867 4.042
222 HA PHE 26 HA PHE 26 -6.791 2.014 6.901
223 HB2 PHE 26 HB2 PHE 26 -4.895 3.463 5.030
224 HB3 PHE 26 HB1 PHE 26 -4.534 2.699 6.572
225 HD1 PHE 26 HD1 PHE 26 -6.009 0.020 6.063
226 HD2 PHE 26 HD2 PHE 26 -3.307 2.341 3.638
227 HE1 PHE 26 HE1 PHE 26 -5.303 -2.027 4.881
228 HE2 PHE 26 HE2 PHE 26 -2.614 0.275 2.450
229 HZ PHE 26 HZ PHE 26 -3.608 -1.906 3.081
230 H11A DNS 27 H22 DNS 27 1.676 2.329 6.286
231 H12 DNS 27 H23 DNS 27 0.957 3.467 7.429
232 H13 DNS 27 H24 DNS 27 2.006 4.063 6.125
233 H21 DNS 27 H21 DNS 27 -0.481 1.422 5.635
234 H22 DNS 27 H19 DNS 27 -1.804 2.525 5.212
235 H23 DNS 27 H20 DNS 27 -1.205 2.469 6.874
236 H4 DNS 27 H14 DNS 27 -1.018 4.525 7.768
237 H5 DNS 27 H15 DNS 27 -2.000 6.828 7.893
238 H6 DNS 27 H16 DNS 27 -2.023 8.298 5.863
239 HZ DNS 27 HZ1 DNS 27 -3.746 9.184 4.478
240 HE3 DNS 27 HE1 DNS 27 -3.724 8.874 1.890
241 HE2 DNS 27 HE2 DNS 27 -3.623 7.191 2.388
242 HD3 DNS 27 HD1 DNS 27 -5.754 9.184 3.190
243 HD2 DNS 27 HD2 DNS 27 -5.947 7.811 2.099
244 HG3 DNS 27 HG1 DNS 27 -5.306 6.296 3.996
245 HG2 DNS 27 HG2 DNS 27 -5.311 7.699 5.063
246 HB3 DNS 27 HB1 DNS 27 -7.682 8.131 4.438
247 HB2 DNS 27 HB2 DNS 27 -7.671 6.666 3.457
248 HA DNS 27 HA DNS 27 -7.046 6.709 6.426
249 H DNS 27 HN DNS 27 -6.960 4.585 4.432
250 H9 DNS 27 H9 DNS 27 -0.531 7.797 1.313
251 H10 DNS 27 H10 DNS 27 0.444 5.500 1.198
252 H11 DNS 27 H11 DNS 27 0.472 4.038 3.228
253 H GLY 28 HN GLY 28 -9.153 4.414 6.263
254 HA2 GLY 28 HA2 GLY 28 -11.664 5.795 5.706
255 HA3 GLY 28 HA1 GLY 28 -11.495 4.201 6.445
256 H ARG 29 HN ARG 29 -10.124 4.577 8.705
257 HA ARG 29 HA ARG 29 -12.018 5.990 10.411
258 HB2 ARG 29 HB2 ARG 29 -9.350 4.689 11.040
259 HB3 ARG 29 HB1 ARG 29 -10.496 5.278 12.244
260 HG2 ARG 29 HG2 ARG 29 -12.220 3.738 11.298
261 HG3 ARG 29 HG1 ARG 29 -10.997 3.092 10.203
262 HD2 ARG 29 HD2 ARG 29 -11.161 1.639 12.152
263 HD3 ARG 29 HD1 ARG 29 -9.608 2.475 12.186
264 HE ARG 29 HE ARG 29 -11.279 4.115 13.676
265 HH11 ARG 29 HH21 ARG 29 -10.385 0.780 13.702
266 HH12 ARG 29 HH22 ARG 29 -10.568 0.610 15.416
267 HH21 ARG 29 HH11 ARG 29 -11.520 3.907 15.910
268 HH22 ARG 29 HH12 ARG 29 -11.210 2.379 16.664
Start of MODEL 5
1 H1 GLY 1 HT1 GLY 1 9.091 3.510 -10.260
2 H2 GLY 1 HT2 GLY 1 8.825 1.844 -10.459
3 H3 GLY 1 HT3 GLY 1 9.676 2.718 -11.642
4 HA2 GLY 1 HA2 GLY 1 11.323 1.451 -10.470
5 HA3 GLY 1 HA1 GLY 1 11.365 3.123 -9.835
6 H GLN 2 HN GLN 2 9.308 3.634 -8.331
7 HA GLN 2 HA GLN 2 10.961 3.238 -5.928
8 HB2 GLN 2 HB2 GLN 2 9.715 5.366 -6.401
9 HB3 GLN 2 HB1 GLN 2 8.204 4.483 -6.183
10 HG2 GLN 2 HG2 GLN 2 8.794 3.940 -3.885
11 HG3 GLN 2 HG1 GLN 2 10.389 4.667 -4.086
12 HE21 GLN 2 HE21 GLN 2 10.561 6.960 -3.895
13 HE22 GLN 2 HE22 GLN 2 9.238 7.964 -3.547
14 H GLN 3 HN GLN 3 10.874 1.056 -5.354
15 HA GLN 3 HA GLN 3 8.402 -0.474 -5.352
16 HB2 GLN 3 HB2 GLN 3 11.146 -0.949 -4.142
17 HB3 GLN 3 HB1 GLN 3 9.822 -2.099 -3.957
18 HG2 GLN 3 HG2 GLN 3 11.234 -2.728 -5.865
19 HG3 GLN 3 HG1 GLN 3 9.627 -2.262 -6.420
20 HE21 GLN 3 HE21 GLN 3 12.831 -0.706 -5.799
21 HE22 GLN 3 HE22 GLN 3 12.747 0.329 -7.142
22 H TYR 4 HN TYR 4 7.135 -1.033 -3.531
23 HA TYR 4 HA TYR 4 6.878 0.973 -1.536
24 HB2 TYR 4 HB2 TYR 4 5.577 -1.543 -0.754
25 HB3 TYR 4 HB1 TYR 4 4.824 -0.013 -1.186
26 HD1 TYR 4 HD1 TYR 4 6.428 -3.069 -2.636
27 HD2 TYR 4 HD2 TYR 4 3.707 0.206 -3.302
28 HE1 TYR 4 HE1 TYR 4 5.757 -4.056 -4.808
29 HE2 TYR 4 HE2 TYR 4 3.047 -0.792 -5.471
30 HH TYR 4 HH TYR 4 4.405 -3.903 -6.559
31 H THR 5 HN THR 5 8.185 1.218 0.250
32 HA THR 5 HA THR 5 9.476 -1.233 1.456
33 HB THR 5 HB THR 5 11.343 0.189 2.094
34 HG1 THR 5 HG1 THR 5 10.660 2.353 0.620
35 HG21 THR 5 HG21 THR 5 10.694 0.758 -0.798
36 HG22 THR 5 HG22 THR 5 11.238 -0.822 -0.233
37 HG23 THR 5 HG23 THR 5 12.291 0.585 -0.076
38 H ALA 6 HN ALA 6 7.697 1.719 2.042
39 HA ALA 6 HA ALA 6 7.642 1.148 5.006
40 HB1 ALA 6 HB1 ALA 6 8.735 3.318 4.324
41 HB2 ALA 6 HB2 ALA 6 7.300 3.535 5.327
42 HB3 ALA 6 HB3 ALA 6 7.204 3.804 3.582
43 H1 NAL 7 H1 NAL 7 2.682 4.643 1.264
44 H3 NAL 7 H3 NAL 7 5.942 2.200 -0.087
45 H4 NAL 7 H4 NAL 7 6.977 4.144 -1.222
46 H5 NAL 7 H5 NAL 7 6.918 6.656 -1.821
47 H6 NAL 7 H6 NAL 7 5.779 8.851 -1.693
48 H7 NAL 7 H7 NAL 7 3.636 9.086 -0.460
49 H8 NAL 7 H8 NAL 7 2.609 7.121 0.651
50 H91 NAL 7 H91 NAL 7 2.543 2.218 1.051
51 H92 NAL 7 H92 NAL 7 4.040 1.286 0.982
52 H10 NAL 7 H10 NAL 7 3.394 3.364 3.111
53 HN1 NAL 7 HN1 NAL 7 5.856 2.870 2.526
54 H ILE 8 HN ILE 8 4.174 -0.085 2.751
55 HA ILE 8 HA ILE 8 2.151 -0.731 4.808
56 HB ILE 8 HB ILE 8 1.365 -2.553 2.974
57 HG12 ILE 8 HG12 ILE 8 1.207 -1.529 0.729
58 HG13 ILE 8 HG11 ILE 8 2.118 -0.132 1.275
59 HG21 ILE 8 HG21 ILE 8 -0.510 -1.095 2.395
60 HG22 ILE 8 HG22 ILE 8 0.402 0.330 2.904
61 HG23 ILE 8 HG23 ILE 8 -0.104 -0.875 4.098
62 HD11 ILE 8 HD11 ILE 8 3.364 -1.960 -0.039
63 HD12 ILE 8 HD12 ILE 8 3.268 -2.915 1.431
64 HD13 ILE 8 HD13 ILE 8 4.123 -1.370 1.436
65 H LYS 9 HN LYS 9 3.122 -2.069 6.143
66 HA LYS 9 HA LYS 9 5.408 -3.712 5.265
67 HB2 LYS 9 HB2 LYS 9 4.454 -2.837 7.999
68 HB3 LYS 9 HB1 LYS 9 5.764 -3.992 7.765
69 HG2 LYS 9 HG2 LYS 9 6.971 -2.291 6.388
70 HG3 LYS 9 HG1 LYS 9 5.699 -1.128 6.763
71 HD2 LYS 9 HD2 LYS 9 6.188 -1.285 9.141
72 HD3 LYS 9 HD1 LYS 9 7.370 -2.562 8.846
73 HE2 LYS 9 HE2 LYS 9 8.717 -0.992 7.489
74 HE3 LYS 9 HE1 LYS 9 7.547 0.286 7.819
75 HZ1 LYS 9 HZ1 LYS 9 8.349 0.592 9.864
76 HZ2 LYS 9 HZ2 LYS 9 9.719 -0.254 9.323
77 HZ3 LYS 9 HZ3 LYS 9 8.496 -1.069 10.175
78 H GLY 10 HN GLY 10 5.252 -5.883 5.120
79 HA2 GLY 10 HA2 GLY 10 4.532 -8.076 5.686
80 HA3 GLY 10 HA1 GLY 10 3.264 -7.392 6.698
81 H ARG 11 HN ARG 11 2.564 -5.596 4.257
82 HA ARG 11 HA ARG 11 1.234 -7.673 2.532
83 HB2 ARG 11 HB2 ARG 11 -0.118 -5.175 3.620
84 HB3 ARG 11 HB1 ARG 11 -0.840 -6.380 2.562
85 HG2 ARG 11 HG2 ARG 11 -1.639 -7.227 4.575
86 HG3 ARG 11 HG1 ARG 11 -0.076 -8.035 4.591
87 HD2 ARG 11 HD2 ARG 11 0.828 -6.080 5.917
88 HD3 ARG 11 HD1 ARG 11 -0.814 -5.449 6.000
89 HE ARG 11 HE ARG 11 -1.044 -8.055 6.937
90 HH11 ARG 11 HH21 ARG 11 0.882 -5.288 7.684
91 HH12 ARG 11 HH22 ARG 11 1.033 -5.685 9.364
92 HH21 ARG 11 HH11 ARG 11 -0.856 -8.582 9.123
93 HH22 ARG 11 HH12 ARG 11 0.049 -7.548 10.177
94 H THR 12 HN THR 12 2.561 -7.230 0.738
95 HA THR 12 HA THR 12 2.721 -4.448 -0.220
96 HB THR 12 HB THR 12 4.259 -6.016 -1.970
97 HG1 THR 12 HG1 THR 12 5.473 -7.288 -0.492
98 HG21 THR 12 HG21 THR 12 4.903 -3.830 -0.948
99 HG22 THR 12 HG22 THR 12 6.191 -5.029 -0.830
100 HG23 THR 12 HG23 THR 12 5.203 -4.656 0.580
101 H PHE 13 HN PHE 13 2.334 -4.049 -2.501
102 HA PHE 13 HA PHE 13 0.057 -5.710 -3.547
103 HB2 PHE 13 HB2 PHE 13 0.690 -2.755 -3.761
104 HB3 PHE 13 HB1 PHE 13 -0.620 -3.542 -4.641
105 HD1 PHE 13 HD1 PHE 13 0.734 -3.102 -1.153
106 HD2 PHE 13 HD2 PHE 13 -2.740 -3.725 -3.597
107 HE1 PHE 13 HE1 PHE 13 -0.714 -2.918 0.841
108 HE2 PHE 13 HE2 PHE 13 -4.175 -3.538 -1.596
109 HZ PHE 13 HZ PHE 13 -3.157 -3.117 0.607
110 H ARG 14 HN ARG 14 0.074 -6.302 -5.688
111 HA ARG 14 HA ARG 14 2.645 -5.997 -7.164
112 HB2 ARG 14 HB2 ARG 14 1.485 -8.234 -7.069
113 HB3 ARG 14 HB1 ARG 14 0.126 -7.525 -7.941
114 HG2 ARG 14 HG2 ARG 14 1.594 -6.995 -9.840
115 HG3 ARG 14 HG1 ARG 14 2.980 -7.653 -8.968
116 HD2 ARG 14 HD2 ARG 14 2.093 -9.314 -10.546
117 HD3 ARG 14 HD1 ARG 14 1.871 -9.861 -8.884
118 HE ARG 14 HE ARG 14 -0.499 -8.539 -9.479
119 HH11 ARG 14 HH21 ARG 14 1.366 -11.090 -10.874
120 HH12 ARG 14 HH22 ARG 14 -0.008 -11.902 -11.547
121 HH21 ARG 14 HH11 ARG 14 -2.296 -9.588 -10.351
122 HH22 ARG 14 HH12 ARG 14 -2.079 -11.052 -11.251
123 H ASN 15 HN ASN 15 -0.786 -5.223 -7.359
124 HA ASN 15 HA ASN 15 -0.291 -3.338 -9.645
125 HB2 ASN 15 HB2 ASN 15 -3.005 -3.380 -9.428
126 HB3 ASN 15 HB1 ASN 15 -2.121 -4.520 -10.445
127 HD21 ASN 15 HD21 ASN 15 -4.615 -4.543 -8.379
128 HD22 ASN 15 HD22 ASN 15 -4.403 -6.054 -7.635
129 H GLU 16 HN GLU 16 -0.278 -1.217 -9.146
130 HA GLU 16 HA GLU 16 -0.705 -0.353 -6.436
131 HB2 GLU 16 HB2 GLU 16 -0.418 1.187 -9.036
132 HB3 GLU 16 HB1 GLU 16 -0.561 1.977 -7.466
133 HG2 GLU 16 HG2 GLU 16 1.446 0.769 -6.677
134 HG3 GLU 16 HG1 GLU 16 1.598 -0.003 -8.255
135 H LYS 17 HN LYS 17 -2.788 -0.803 -9.151
136 HA LYS 17 HA LYS 17 -4.852 1.005 -8.568
137 HB2 LYS 17 HB2 LYS 17 -4.650 -0.500 -10.600
138 HB3 LYS 17 HB1 LYS 17 -5.240 -1.821 -9.594
139 HG2 LYS 17 HG2 LYS 17 -7.259 -0.339 -9.060
140 HG3 LYS 17 HG1 LYS 17 -6.696 0.734 -10.340
141 HD2 LYS 17 HD2 LYS 17 -7.466 -2.187 -10.639
142 HD3 LYS 17 HD1 LYS 17 -8.369 -0.798 -11.242
143 HE2 LYS 17 HE2 LYS 17 -7.191 -1.528 -13.156
144 HE3 LYS 17 HE1 LYS 17 -6.155 -0.237 -12.548
145 HZ1 LYS 17 HZ1 LYS 17 -4.530 -1.692 -12.261
146 HZ2 LYS 17 HZ2 LYS 17 -5.502 -2.908 -12.943
147 HZ3 LYS 17 HZ3 LYS 17 -5.503 -2.658 -11.263
148 H GLU 18 HN GLU 18 -4.341 -2.323 -7.377
149 HA GLU 18 HA GLU 18 -6.647 -2.314 -5.693
150 HB2 GLU 18 HB2 GLU 18 -5.558 -4.378 -6.492
151 HB3 GLU 18 HB1 GLU 18 -4.146 -4.007 -5.509
152 HG2 GLU 18 HG2 GLU 18 -5.490 -4.133 -3.480
153 HG3 GLU 18 HG1 GLU 18 -6.953 -4.363 -4.429
154 H LEU 19 HN LEU 19 -3.341 -1.227 -5.280
155 HA LEU 19 HA LEU 19 -3.480 -0.967 -2.397
156 HB2 LEU 19 HB2 LEU 19 -1.323 -1.081 -3.495
157 HB3 LEU 19 HB1 LEU 19 -1.715 0.310 -4.480
158 HG LEU 19 HG LEU 19 -1.877 1.570 -2.205
159 HD11 LEU 19 HD11 LEU 19 -0.653 0.729 -0.360
160 HD12 LEU 19 HD12 LEU 19 -0.002 -0.602 -1.310
161 HD13 LEU 19 HD13 LEU 19 -1.704 -0.590 -0.862
162 HD21 LEU 19 HD21 LEU 19 0.553 2.029 -2.231
163 HD22 LEU 19 HD22 LEU 19 -0.138 2.023 -3.854
164 HD23 LEU 19 HD23 LEU 19 0.778 0.628 -3.281
165 H ARG 20 HN ARG 20 -4.245 1.116 -5.153
166 HA ARG 20 HA ARG 20 -4.655 3.550 -3.737
167 HB2 ARG 20 HB2 ARG 20 -4.623 3.481 -6.185
168 HB3 ARG 20 HB1 ARG 20 -6.037 2.439 -6.197
169 HG2 ARG 20 HG2 ARG 20 -6.568 4.824 -6.720
170 HG3 ARG 20 HG1 ARG 20 -7.439 4.220 -5.315
171 HD2 ARG 20 HD2 ARG 20 -6.342 6.564 -5.128
172 HD3 ARG 20 HD1 ARG 20 -6.067 5.441 -3.800
173 HE ARG 20 HE ARG 20 -3.924 4.986 -5.508
174 HH11 ARG 20 HH21 ARG 20 -5.345 7.725 -3.958
175 HH12 ARG 20 HH22 ARG 20 -3.850 8.590 -3.830
176 HH21 ARG 20 HH11 ARG 20 -1.972 6.102 -5.349
177 HH22 ARG 20 HH12 ARG 20 -1.942 7.672 -4.618
178 H ASP 21 HN ASP 21 -6.697 0.786 -4.311
179 HA ASP 21 HA ASP 21 -9.046 1.867 -3.065
180 HB2 ASP 21 HB2 ASP 21 -8.293 -0.967 -3.812
181 HB3 ASP 21 HB1 ASP 21 -9.875 -0.496 -3.195
182 H PHE 22 HN PHE 22 -6.693 -0.639 -2.067
183 HA PHE 22 HA PHE 22 -7.773 -0.978 0.517
184 HB2 PHE 22 HB2 PHE 22 -5.111 -1.523 -0.743
185 HB3 PHE 22 HB1 PHE 22 -5.199 -1.603 1.008
186 HD1 PHE 22 HD1 PHE 22 -7.691 -2.572 -1.622
187 HD2 PHE 22 HD2 PHE 22 -5.167 -3.910 1.596
188 HE1 PHE 22 HE1 PHE 22 -8.660 -4.837 -1.797
189 HE2 PHE 22 HE2 PHE 22 -6.144 -6.166 1.413
190 HZ PHE 22 HZ PHE 22 -7.892 -6.641 -0.280
191 H ILE 23 HN ILE 23 -5.807 1.495 -0.852
192 HA ILE 23 HA ILE 23 -4.809 2.625 1.601
193 HB ILE 23 HB ILE 23 -5.093 3.472 -1.255
194 HG12 ILE 23 HG12 ILE 23 -2.819 3.799 0.739
195 HG13 ILE 23 HG11 ILE 23 -3.040 2.380 -0.276
196 HG21 ILE 23 HG21 ILE 23 -4.853 5.453 1.009
197 HG22 ILE 23 HG22 ILE 23 -5.993 5.469 -0.340
198 HG23 ILE 23 HG23 ILE 23 -4.297 5.827 -0.622
199 HD11 ILE 23 HD11 ILE 23 -1.399 3.962 -1.248
200 HD12 ILE 23 HD12 ILE 23 -2.644 5.209 -1.296
201 HD13 ILE 23 HD13 ILE 23 -2.803 3.764 -2.286
202 H GLU 24 HN GLU 24 -7.710 3.005 -0.309
203 HA GLU 24 HA GLU 24 -8.828 5.158 1.174
204 HB2 GLU 24 HB2 GLU 24 -10.229 2.936 -0.335
205 HB3 GLU 24 HB1 GLU 24 -11.076 4.295 0.383
206 HG2 GLU 24 HG2 GLU 24 -8.818 4.624 -1.617
207 HG3 GLU 24 HG1 GLU 24 -10.519 4.574 -2.074
208 H LYS 25 HN LYS 25 -8.527 1.761 1.834
209 HA LYS 25 HA LYS 25 -10.457 1.723 4.031
210 HB2 LYS 25 HB2 LYS 25 -9.764 -0.313 2.702
211 HB3 LYS 25 HB1 LYS 25 -8.192 -0.227 3.493
212 HG2 LYS 25 HG2 LYS 25 -9.307 -0.426 5.703
213 HG3 LYS 25 HG1 LYS 25 -10.866 -0.566 4.890
214 HD2 LYS 25 HD2 LYS 25 -10.095 -2.592 3.730
215 HD3 LYS 25 HD1 LYS 25 -8.521 -2.450 4.513
216 HE2 LYS 25 HE2 LYS 25 -10.045 -4.074 5.662
217 HE3 LYS 25 HE1 LYS 25 -9.525 -2.751 6.706
218 HZ1 LYS 25 HZ1 LYS 25 -12.004 -2.467 5.155
219 HZ2 LYS 25 HZ2 LYS 25 -11.575 -1.765 6.642
220 HZ3 LYS 25 HZ3 LYS 25 -12.022 -3.403 6.570
221 H PHE 26 HN PHE 26 -6.862 1.813 3.833
222 HA PHE 26 HA PHE 26 -6.444 1.929 6.666
223 HB2 PHE 26 HB2 PHE 26 -4.655 3.349 4.670
224 HB3 PHE 26 HB1 PHE 26 -4.201 2.601 6.196
225 HD1 PHE 26 HD1 PHE 26 -5.760 -0.067 5.805
226 HD2 PHE 26 HD2 PHE 26 -3.158 2.185 3.214
227 HE1 PHE 26 HE1 PHE 26 -5.158 -2.134 4.604
228 HE2 PHE 26 HE2 PHE 26 -2.570 0.097 2.003
229 HZ PHE 26 HZ PHE 26 -3.567 -2.058 2.713
230 H11A DNS 27 H22 DNS 27 0.066 3.447 6.860
231 H12 DNS 27 H23 DNS 27 -0.488 5.054 7.344
232 H13 DNS 27 H24 DNS 27 1.019 4.396 8.017
233 H21 DNS 27 H21 DNS 27 2.882 4.645 4.860
234 H22 DNS 27 H19 DNS 27 2.136 3.225 5.615
235 H23 DNS 27 H20 DNS 27 3.052 4.365 6.607
236 H4 DNS 27 H14 DNS 27 0.023 2.972 4.670
237 H5 DNS 27 H15 DNS 27 -1.360 3.231 2.598
238 H6 DNS 27 H16 DNS 27 -1.811 5.505 1.659
239 HZ DNS 27 HZ1 DNS 27 -2.855 7.000 2.836
240 HE3 DNS 27 HE1 DNS 27 -3.677 9.086 3.299
241 HE2 DNS 27 HE2 DNS 27 -4.021 9.376 1.605
242 HD3 DNS 27 HD1 DNS 27 -6.123 9.011 2.661
243 HD2 DNS 27 HD2 DNS 27 -5.771 7.552 1.737
244 HG3 DNS 27 HG1 DNS 27 -5.123 6.345 3.710
245 HG2 DNS 27 HG2 DNS 27 -5.113 7.812 4.688
246 HB3 DNS 27 HB1 DNS 27 -7.549 8.058 4.346
247 HB2 DNS 27 HB2 DNS 27 -7.563 6.582 3.383
248 HA DNS 27 HA DNS 27 -6.570 6.650 6.248
249 H DNS 27 HN DNS 27 -6.723 4.552 4.259
250 H9 DNS 27 H9 DNS 27 -0.520 9.987 2.902
251 H10 DNS 27 H10 DNS 27 0.859 9.712 4.963
252 H11 DNS 27 H11 DNS 27 1.287 7.436 5.904
253 H GLY 28 HN GLY 28 -8.468 4.652 7.049
254 HA2 GLY 28 HA2 GLY 28 -11.163 5.770 6.560
255 HA3 GLY 28 HA1 GLY 28 -10.784 4.339 7.519
256 H ARG 29 HN ARG 29 -9.259 5.001 9.503
257 HA ARG 29 HA ARG 29 -9.282 6.006 11.623
258 HB2 ARG 29 HB2 ARG 29 -9.830 8.519 10.016
259 HB3 ARG 29 HB1 ARG 29 -9.125 8.431 11.630
260 HG2 ARG 29 HG2 ARG 29 -7.199 7.183 10.729
261 HG3 ARG 29 HG1 ARG 29 -7.899 7.264 9.113
262 HD2 ARG 29 HD2 ARG 29 -7.125 9.658 10.807
263 HD3 ARG 29 HD1 ARG 29 -6.195 9.028 9.447
264 HE ARG 29 HE ARG 29 -8.714 9.487 8.375
265 HH11 ARG 29 HH21 ARG 29 -6.380 11.319 10.143
266 HH12 ARG 29 HH22 ARG 29 -6.819 12.827 9.414
267 HH21 ARG 29 HH11 ARG 29 -9.297 11.446 7.420
268 HH22 ARG 29 HH12 ARG 29 -8.470 12.899 7.874
Start of MODEL 6
1 H1 GLY 1 HT1 GLY 1 10.466 1.076 -11.346
2 H2 GLY 1 HT2 GLY 1 12.125 1.090 -10.982
3 H3 GLY 1 HT3 GLY 1 11.424 2.400 -11.805
4 HA2 GLY 1 HA2 GLY 1 11.334 3.461 -9.829
5 HA3 GLY 1 HA1 GLY 1 10.027 2.281 -9.506
6 H GLN 2 HN GLN 2 11.555 3.259 -7.450
7 HA GLN 2 HA GLN 2 12.397 0.779 -6.237
8 HB2 GLN 2 HB2 GLN 2 11.504 3.354 -4.900
9 HB3 GLN 2 HB1 GLN 2 12.431 2.060 -4.142
10 HG2 GLN 2 HG2 GLN 2 13.367 3.621 -6.569
11 HG3 GLN 2 HG1 GLN 2 13.849 3.984 -4.913
12 HE21 GLN 2 HE21 GLN 2 14.641 1.796 -3.711
13 HE22 GLN 2 HE22 GLN 2 15.734 0.864 -4.615
14 H GLN 3 HN GLN 3 11.113 -0.815 -5.444
15 HA GLN 3 HA GLN 3 8.235 -0.579 -5.486
16 HB2 GLN 3 HB2 GLN 3 8.260 -2.822 -4.411
17 HB3 GLN 3 HB1 GLN 3 9.260 -2.745 -5.861
18 HG2 GLN 3 HG2 GLN 3 11.261 -2.353 -4.416
19 HG3 GLN 3 HG1 GLN 3 10.238 -2.565 -2.996
20 HE21 GLN 3 HE21 GLN 3 10.253 -4.662 -2.194
21 HE22 GLN 3 HE22 GLN 3 10.539 -6.059 -3.114
22 H TYR 4 HN TYR 4 6.816 -0.556 -3.720
23 HA TYR 4 HA TYR 4 7.504 1.176 -1.602
24 HB2 TYR 4 HB2 TYR 4 5.126 -0.560 -1.157
25 HB3 TYR 4 HB1 TYR 4 5.210 1.186 -1.209
26 HD1 TYR 4 HD2 TYR 4 6.278 1.813 -3.824
27 HD2 TYR 4 HD1 TYR 4 3.487 -1.278 -2.732
28 HE1 TYR 4 HE2 TYR 4 5.396 1.783 -6.135
29 HE2 TYR 4 HE1 TYR 4 2.615 -1.297 -5.047
30 HH TYR 4 HH TYR 4 3.024 1.076 -7.190
31 H THR 5 HN THR 5 8.723 0.681 0.208
32 HA THR 5 HA THR 5 8.662 -2.146 1.284
33 HB THR 5 HB THR 5 10.947 -1.933 1.873
34 HG1 THR 5 HG1 THR 5 12.000 0.067 1.809
35 HG21 THR 5 HG21 THR 5 10.876 -0.329 -0.676
36 HG22 THR 5 HG22 THR 5 10.414 -2.031 -0.663
37 HG23 THR 5 HG23 THR 5 12.048 -1.552 -0.198
38 H ALA 6 HN ALA 6 8.508 1.260 2.052
39 HA ALA 6 HA ALA 6 8.401 0.743 4.992
40 HB1 ALA 6 HB1 ALA 6 9.756 2.659 4.058
41 HB2 ALA 6 HB2 ALA 6 8.513 3.166 5.201
42 HB3 ALA 6 HB3 ALA 6 8.250 3.375 3.466
43 H1 NAL 7 H1 NAL 7 3.566 4.795 1.733
44 H3 NAL 7 H3 NAL 7 6.579 2.235 0.073
45 H4 NAL 7 H4 NAL 7 7.759 4.190 -0.896
46 H5 NAL 7 H5 NAL 7 7.902 6.744 -1.260
47 H6 NAL 7 H6 NAL 7 6.954 9.003 -0.900
48 H7 NAL 7 H7 NAL 7 4.857 9.297 0.397
49 H8 NAL 7 H8 NAL 7 3.684 7.327 1.345
50 H91 NAL 7 H91 NAL 7 3.217 2.450 1.369
51 H92 NAL 7 H92 NAL 7 4.610 1.395 1.109
52 H10 NAL 7 H10 NAL 7 4.337 3.320 3.454
53 HN1 NAL 7 HN1 NAL 7 6.638 2.364 2.454
54 H ILE 8 HN ILE 8 4.810 -0.152 2.879
55 HA ILE 8 HA ILE 8 2.818 -0.742 4.977
56 HB ILE 8 HB ILE 8 1.835 -2.431 3.116
57 HG12 ILE 8 HG12 ILE 8 1.680 -1.333 0.910
58 HG13 ILE 8 HG11 ILE 8 2.707 -0.017 1.463
59 HG21 ILE 8 HG21 ILE 8 0.535 -0.678 4.342
60 HG22 ILE 8 HG22 ILE 8 0.051 -0.832 2.653
61 HG23 ILE 8 HG23 ILE 8 1.080 0.515 3.151
62 HD11 ILE 8 HD11 ILE 8 4.627 -1.369 1.473
63 HD12 ILE 8 HD12 ILE 8 3.743 -1.954 0.066
64 HD13 ILE 8 HD13 ILE 8 3.691 -2.867 1.559
65 H LYS 9 HN LYS 9 3.601 -2.320 6.169
66 HA LYS 9 HA LYS 9 5.866 -3.944 5.212
67 HB2 LYS 9 HB2 LYS 9 6.103 -2.613 7.316
68 HB3 LYS 9 HB1 LYS 9 4.838 -3.611 8.035
69 HG2 LYS 9 HG2 LYS 9 6.183 -5.615 7.754
70 HG3 LYS 9 HG1 LYS 9 7.413 -4.712 6.868
71 HD2 LYS 9 HD2 LYS 9 7.807 -3.315 8.886
72 HD3 LYS 9 HD1 LYS 9 6.633 -4.292 9.769
73 HE2 LYS 9 HE2 LYS 9 9.232 -5.255 8.543
74 HE3 LYS 9 HE1 LYS 9 8.857 -5.135 10.261
75 HZ1 LYS 9 HZ1 LYS 9 7.054 -6.743 9.906
76 HZ2 LYS 9 HZ2 LYS 9 8.579 -7.389 9.529
77 HZ3 LYS 9 HZ3 LYS 9 7.527 -6.907 8.286
78 H GLY 10 HN GLY 10 5.779 -6.160 5.116
79 HA2 GLY 10 HA2 GLY 10 4.927 -8.341 5.323
80 HA3 GLY 10 HA1 GLY 10 3.711 -7.721 6.435
81 H ARG 11 HN ARG 11 3.004 -5.680 4.194
82 HA ARG 11 HA ARG 11 1.528 -7.545 2.345
83 HB2 ARG 11 HB2 ARG 11 0.361 -5.075 3.672
84 HB3 ARG 11 HB1 ARG 11 -0.476 -6.152 2.563
85 HG2 ARG 11 HG2 ARG 11 0.676 -7.061 5.221
86 HG3 ARG 11 HG1 ARG 11 -0.986 -6.520 5.028
87 HD2 ARG 11 HD2 ARG 11 0.326 -8.951 3.779
88 HD3 ARG 11 HD1 ARG 11 -1.045 -8.906 4.878
89 HE ARG 11 HE ARG 11 -1.926 -7.451 2.693
90 HH11 ARG 11 HH21 ARG 11 -0.530 -10.568 3.206
91 HH12 ARG 11 HH22 ARG 11 -1.355 -11.300 1.870
92 HH21 ARG 11 HH11 ARG 11 -3.007 -8.394 0.951
93 HH22 ARG 11 HH12 ARG 11 -2.756 -10.071 0.595
94 H THR 12 HN THR 12 2.787 -7.044 0.538
95 HA THR 12 HA THR 12 3.047 -4.211 -0.237
96 HB THR 12 HB THR 12 4.485 -5.730 -2.118
97 HG1 THR 12 HG1 THR 12 4.067 -7.486 -0.583
98 HG21 THR 12 HG21 THR 12 5.227 -3.618 -1.015
99 HG22 THR 12 HG22 THR 12 6.477 -4.863 -0.986
100 HG23 THR 12 HG23 THR 12 5.536 -4.525 0.466
101 H PHE 13 HN PHE 13 2.623 -3.668 -2.488
102 HA PHE 13 HA PHE 13 0.302 -5.231 -3.597
103 HB2 PHE 13 HB2 PHE 13 0.922 -2.264 -3.608
104 HB3 PHE 13 HB1 PHE 13 -0.420 -2.998 -4.487
105 HD1 PHE 13 HD1 PHE 13 1.073 -2.730 -1.045
106 HD2 PHE 13 HD2 PHE 13 -2.490 -3.341 -3.373
107 HE1 PHE 13 HE1 PHE 13 -0.294 -2.683 1.016
108 HE2 PHE 13 HE2 PHE 13 -3.840 -3.304 -1.308
109 HZ PHE 13 HZ PHE 13 -2.746 -2.954 0.874
110 H ARG 14 HN ARG 14 0.458 -5.892 -5.675
111 HA ARG 14 HA ARG 14 2.913 -5.263 -7.221
112 HB2 ARG 14 HB2 ARG 14 0.536 -7.057 -7.847
113 HB3 ARG 14 HB1 ARG 14 2.000 -6.929 -8.822
114 HG2 ARG 14 HG2 ARG 14 3.348 -7.701 -6.900
115 HG3 ARG 14 HG1 ARG 14 1.880 -7.844 -5.932
116 HD2 ARG 14 HD2 ARG 14 2.491 -10.035 -6.839
117 HD3 ARG 14 HD1 ARG 14 0.985 -9.482 -7.572
118 HE ARG 14 HE ARG 14 2.945 -8.585 -9.321
119 HH11 ARG 14 HH21 ARG 14 2.066 -11.603 -7.890
120 HH12 ARG 14 HH22 ARG 14 2.616 -12.548 -9.234
121 HH21 ARG 14 HH11 ARG 14 3.665 -9.805 -11.077
122 HH22 ARG 14 HH12 ARG 14 3.521 -11.531 -11.036
123 H ASN 15 HN ASN 15 -0.583 -4.830 -7.311
124 HA ASN 15 HA ASN 15 -0.344 -2.890 -9.590
125 HB2 ASN 15 HB2 ASN 15 -3.034 -3.197 -9.278
126 HB3 ASN 15 HB1 ASN 15 -2.080 -4.239 -10.336
127 HD21 ASN 15 HD21 ASN 15 -4.466 -4.498 -8.135
128 HD22 ASN 15 HD22 ASN 15 -4.082 -5.994 -7.429
129 H GLU 16 HN GLU 16 -0.512 -0.781 -9.080
130 HA GLU 16 HA GLU 16 -0.933 0.051 -6.364
131 HB2 GLU 16 HB2 GLU 16 -0.983 1.631 -8.957
132 HB3 GLU 16 HB1 GLU 16 -1.037 2.363 -7.355
133 HG2 GLU 16 HG2 GLU 16 1.261 2.403 -8.091
134 HG3 GLU 16 HG1 GLU 16 1.133 1.183 -6.827
135 H LYS 17 HN LYS 17 -3.048 -0.645 -8.992
136 HA LYS 17 HA LYS 17 -5.274 0.934 -8.355
137 HB2 LYS 17 HB2 LYS 17 -4.982 -0.570 -10.372
138 HB3 LYS 17 HB1 LYS 17 -5.389 -1.933 -9.331
139 HG2 LYS 17 HG2 LYS 17 -7.539 -0.683 -8.741
140 HG3 LYS 17 HG1 LYS 17 -7.140 0.439 -10.042
141 HD2 LYS 17 HD2 LYS 17 -7.589 -2.550 -10.313
142 HD3 LYS 17 HD1 LYS 17 -8.664 -1.275 -10.882
143 HE2 LYS 17 HE2 LYS 17 -7.482 -1.870 -12.839
144 HE3 LYS 17 HE1 LYS 17 -6.573 -0.473 -12.265
145 HZ1 LYS 17 HZ1 LYS 17 -5.662 -3.078 -12.667
146 HZ2 LYS 17 HZ2 LYS 17 -5.596 -2.778 -10.996
147 HZ3 LYS 17 HZ3 LYS 17 -4.790 -1.747 -12.079
148 H GLU 18 HN GLU 18 -4.373 -2.305 -7.139
149 HA GLU 18 HA GLU 18 -6.605 -2.534 -5.379
150 HB2 GLU 18 HB2 GLU 18 -5.290 -4.471 -6.158
151 HB3 GLU 18 HB1 GLU 18 -3.901 -3.889 -5.239
152 HG2 GLU 18 HG2 GLU 18 -5.110 -4.143 -3.153
153 HG3 GLU 18 HG1 GLU 18 -6.594 -4.542 -4.015
154 H LEU 19 HN LEU 19 -3.408 -1.125 -5.061
155 HA LEU 19 HA LEU 19 -3.513 -0.809 -2.194
156 HB2 LEU 19 HB2 LEU 19 -1.398 -0.787 -3.365
157 HB3 LEU 19 HB1 LEU 19 -1.915 0.577 -4.334
158 HG LEU 19 HG LEU 19 -2.101 1.813 -2.042
159 HD11 LEU 19 HD11 LEU 19 -1.718 -0.334 -0.717
160 HD12 LEU 19 HD12 LEU 19 -0.738 1.050 -0.250
161 HD13 LEU 19 HD13 LEU 19 -0.039 -0.229 -1.238
162 HD21 LEU 19 HD21 LEU 19 -0.454 2.398 -3.749
163 HD22 LEU 19 HD22 LEU 19 0.585 1.081 -3.205
164 HD23 LEU 19 HD23 LEU 19 0.282 2.459 -2.147
165 H ARG 20 HN ARG 20 -4.520 1.178 -4.946
166 HA ARG 20 HA ARG 20 -5.088 3.578 -3.507
167 HB2 ARG 20 HB2 ARG 20 -5.051 3.455 -5.970
168 HB3 ARG 20 HB1 ARG 20 -6.474 2.420 -5.946
169 HG2 ARG 20 HG2 ARG 20 -6.799 5.014 -4.472
170 HG3 ARG 20 HG1 ARG 20 -6.572 5.182 -6.207
171 HD2 ARG 20 HD2 ARG 20 -8.458 3.661 -6.626
172 HD3 ARG 20 HD1 ARG 20 -8.685 3.442 -4.893
173 HE ARG 20 HE ARG 20 -8.826 6.188 -5.227
174 HH11 ARG 20 HH21 ARG 20 -10.369 3.428 -6.618
175 HH12 ARG 20 HH22 ARG 20 -11.862 4.253 -6.919
176 HH21 ARG 20 HH11 ARG 20 -10.766 7.273 -5.615
177 HH22 ARG 20 HH12 ARG 20 -12.086 6.429 -6.352
178 H ASP 21 HN ASP 21 -6.920 0.660 -4.057
179 HA ASP 21 HA ASP 21 -9.326 1.579 -2.787
180 HB2 ASP 21 HB2 ASP 21 -8.375 -1.199 -3.525
181 HB3 ASP 21 HB1 ASP 21 -9.978 -0.843 -2.881
182 H PHE 22 HN PHE 22 -6.783 -0.742 -1.818
183 HA PHE 22 HA PHE 22 -7.763 -1.152 0.792
184 HB2 PHE 22 HB2 PHE 22 -5.096 -1.456 -0.538
185 HB3 PHE 22 HB1 PHE 22 -5.141 -1.566 1.210
186 HD1 PHE 22 HD2 PHE 22 -7.671 -2.723 -1.312
187 HD2 PHE 22 HD1 PHE 22 -4.806 -3.874 1.686
188 HE1 PHE 22 HE2 PHE 22 -8.421 -5.067 -1.486
189 HE2 PHE 22 HE1 PHE 22 -5.564 -6.211 1.500
190 HZ PHE 22 HZ PHE 22 -7.372 -6.819 -0.082
191 H ILE 23 HN ILE 23 -6.046 1.467 -0.633
192 HA ILE 23 HA ILE 23 -5.089 2.684 1.798
193 HB ILE 23 HB ILE 23 -5.464 3.476 -1.062
194 HG12 ILE 23 HG12 ILE 23 -3.191 3.954 0.905
195 HG13 ILE 23 HG11 ILE 23 -3.334 2.524 -0.109
196 HG21 ILE 23 HG21 ILE 23 -4.810 5.883 -0.458
197 HG22 ILE 23 HG22 ILE 23 -5.331 5.488 1.176
198 HG23 ILE 23 HG23 ILE 23 -6.481 5.419 -0.161
199 HD11 ILE 23 HD11 ILE 23 -1.803 4.197 -1.097
200 HD12 ILE 23 HD12 ILE 23 -3.116 5.372 -1.126
201 HD13 ILE 23 HD13 ILE 23 -3.207 3.926 -2.119
202 H GLU 24 HN GLU 24 -8.036 2.820 -0.065
203 HA GLU 24 HA GLU 24 -9.280 4.928 1.371
204 HB2 GLU 24 HB2 GLU 24 -10.549 2.559 -0.025
205 HB3 GLU 24 HB1 GLU 24 -11.476 3.881 0.664
206 HG2 GLU 24 HG2 GLU 24 -9.289 4.296 -1.397
207 HG3 GLU 24 HG1 GLU 24 -10.989 4.106 -1.814
208 H LYS 25 HN LYS 25 -8.784 1.561 2.121
209 HA LYS 25 HA LYS 25 -10.631 1.528 4.398
210 HB2 LYS 25 HB2 LYS 25 -8.525 -0.358 3.327
211 HB3 LYS 25 HB1 LYS 25 -9.184 -0.624 4.937
212 HG2 LYS 25 HG2 LYS 25 -10.415 -1.919 3.233
213 HG3 LYS 25 HG1 LYS 25 -11.458 -0.726 4.006
214 HD2 LYS 25 HD2 LYS 25 -11.298 0.761 2.118
215 HD3 LYS 25 HD1 LYS 25 -10.028 -0.218 1.382
216 HE2 LYS 25 HE2 LYS 25 -11.617 -2.090 1.129
217 HE3 LYS 25 HE1 LYS 25 -12.887 -1.112 1.866
218 HZ1 LYS 25 HZ1 LYS 25 -11.629 0.297 -0.248
219 HZ2 LYS 25 HZ2 LYS 25 -13.267 -0.115 -0.059
220 HZ3 LYS 25 HZ3 LYS 25 -12.194 -1.203 -0.802
221 H PHE 26 HN PHE 26 -7.047 1.766 4.052
222 HA PHE 26 HA PHE 26 -6.528 1.980 6.857
223 HB2 PHE 26 HB2 PHE 26 -4.901 3.462 4.767
224 HB3 PHE 26 HB1 PHE 26 -4.352 2.794 6.295
225 HD1 PHE 26 HD2 PHE 26 -5.773 0.013 5.988
226 HD2 PHE 26 HD1 PHE 26 -3.328 2.365 3.330
227 HE1 PHE 26 HE2 PHE 26 -5.060 -2.038 4.818
228 HE2 PHE 26 HE1 PHE 26 -2.620 0.293 2.160
229 HZ PHE 26 HZ PHE 26 -3.485 -1.905 2.913
230 H11A DNS 27 H22 DNS 27 -1.564 0.531 7.502
231 H12 DNS 27 H23 DNS 27 -2.092 1.116 5.922
232 H13 DNS 27 H24 DNS 27 -2.716 1.876 7.403
233 H21 DNS 27 H21 DNS 27 0.563 1.142 5.761
234 H22 DNS 27 H19 DNS 27 0.686 0.913 7.514
235 H23 DNS 27 H20 DNS 27 1.391 2.350 6.767
236 H4 DNS 27 H14 DNS 27 -0.926 1.921 4.243
237 H5 DNS 27 H15 DNS 27 -1.227 3.733 2.537
238 H6 DNS 27 H16 DNS 27 -1.360 6.130 3.256
239 HZ DNS 27 HZ1 DNS 27 -3.291 7.337 5.037
240 HE3 DNS 27 HE1 DNS 27 -3.733 9.578 4.139
241 HE2 DNS 27 HE2 DNS 27 -3.260 8.931 2.577
242 HD3 DNS 27 HD1 DNS 27 -5.767 8.964 3.092
243 HD2 DNS 27 HD2 DNS 27 -5.107 7.437 2.513
244 HG3 DNS 27 HG1 DNS 27 -5.084 6.493 4.716
245 HG2 DNS 27 HG2 DNS 27 -5.398 8.058 5.466
246 HB3 DNS 27 HB1 DNS 27 -7.635 8.130 4.572
247 HB2 DNS 27 HB2 DNS 27 -7.342 6.715 3.560
248 HA DNS 27 HA DNS 27 -7.143 6.602 6.585
249 H DNS 27 HN DNS 27 -6.993 4.579 4.431
250 H9 DNS 27 H9 DNS 27 -1.185 8.395 7.503
251 H10 DNS 27 H10 DNS 27 -0.892 6.581 9.194
252 H11 DNS 27 H11 DNS 27 -0.750 4.191 8.471
253 H GLY 28 HN GLY 28 -9.054 7.829 7.012
254 HA2 GLY 28 HA2 GLY 28 -11.514 6.313 6.904
255 HA3 GLY 28 HA1 GLY 28 -11.351 7.976 7.474
256 H ARG 29 HN ARG 29 -10.331 9.207 5.216
257 HA ARG 29 HA ARG 29 -12.126 8.617 2.931
258 HB2 ARG 29 HB2 ARG 29 -12.960 11.004 2.937
259 HB3 ARG 29 HB1 ARG 29 -13.570 10.026 4.270
260 HG2 ARG 29 HG2 ARG 29 -11.868 10.963 5.771
261 HG3 ARG 29 HG1 ARG 29 -11.198 11.911 4.445
262 HD2 ARG 29 HD2 ARG 29 -13.404 13.048 4.193
263 HD3 ARG 29 HD1 ARG 29 -13.986 12.166 5.604
264 HE ARG 29 HE ARG 29 -11.665 13.402 6.498
265 HH11 ARG 29 HH21 ARG 29 -14.589 14.389 4.946
266 HH12 ARG 29 HH22 ARG 29 -14.593 15.963 5.669
267 HH21 ARG 29 HH11 ARG 29 -11.661 15.450 7.445
268 HH22 ARG 29 HH12 ARG 29 -12.938 16.563 7.083
Start of MODEL 7
1 H1 GLY 1 HT1 GLY 1 8.557 3.781 -10.111
2 H2 GLY 1 HT2 GLY 1 7.643 2.741 -11.094
3 H3 GLY 1 HT3 GLY 1 8.954 3.598 -11.752
4 HA2 GLY 1 HA2 GLY 1 9.207 1.042 -11.206
5 HA3 GLY 1 HA1 GLY 1 10.463 2.201 -10.678
6 H GLN 2 HN GLN 2 9.302 3.559 -8.613
7 HA GLN 2 HA GLN 2 11.160 2.309 -6.808
8 HB2 GLN 2 HB2 GLN 2 8.905 4.282 -6.320
9 HB3 GLN 2 HB1 GLN 2 10.065 3.794 -5.084
10 HG2 GLN 2 HG2 GLN 2 10.851 5.863 -6.060
11 HG3 GLN 2 HG1 GLN 2 11.913 4.569 -6.612
12 HE21 GLN 2 HE21 GLN 2 12.110 4.289 -8.861
13 HE22 GLN 2 HE22 GLN 2 11.140 5.075 -10.010
14 H GLN 3 HN GLN 3 10.815 0.304 -5.975
15 HA GLN 3 HA GLN 3 8.189 -0.887 -5.768
16 HB2 GLN 3 HB2 GLN 3 9.376 -2.693 -4.520
17 HB3 GLN 3 HB1 GLN 3 10.162 -2.299 -6.049
18 HG2 GLN 3 HG2 GLN 3 11.733 -0.798 -4.803
19 HG3 GLN 3 HG1 GLN 3 11.000 -1.343 -3.294
20 HE21 GLN 3 HE21 GLN 3 13.162 -2.268 -5.910
21 HE22 GLN 3 HE22 GLN 3 13.638 -3.753 -5.240
22 H TYR 4 HN TYR 4 6.955 -1.243 -3.873
23 HA TYR 4 HA TYR 4 7.015 0.833 -1.947
24 HB2 TYR 4 HB2 TYR 4 5.571 -1.669 -1.191
25 HB3 TYR 4 HB1 TYR 4 4.975 -0.014 -1.220
26 HD1 TYR 4 HD1 TYR 4 5.625 -3.051 -3.240
27 HD2 TYR 4 HD2 TYR 4 3.949 0.913 -3.243
28 HE1 TYR 4 HE1 TYR 4 4.531 -3.511 -5.413
29 HE2 TYR 4 HE2 TYR 4 2.857 0.444 -5.417
30 HH TYR 4 HH TYR 4 3.245 -2.717 -7.028
31 H THR 5 HN THR 5 8.389 1.013 -0.204
32 HA THR 5 HA THR 5 9.532 -1.510 1.009
33 HB THR 5 HB THR 5 11.531 -0.280 1.506
34 HG1 THR 5 HG1 THR 5 10.339 2.002 0.352
35 HG21 THR 5 HG21 THR 5 11.144 -1.060 -0.909
36 HG22 THR 5 HG22 THR 5 12.376 0.182 -0.680
37 HG23 THR 5 HG23 THR 5 10.778 0.627 -1.270
38 H ALA 6 HN ALA 6 7.981 1.563 1.584
39 HA ALA 6 HA ALA 6 8.005 1.087 4.563
40 HB1 ALA 6 HB1 ALA 6 7.585 3.699 3.058
41 HB2 ALA 6 HB2 ALA 6 9.133 3.191 3.747
42 HB3 ALA 6 HB3 ALA 6 7.754 3.492 4.805
43 H1 NAL 7 H1 NAL 7 2.961 4.641 1.000
44 H3 NAL 7 H3 NAL 7 6.045 2.079 -0.530
45 H4 NAL 7 H4 NAL 7 7.059 3.973 -1.764
46 H5 NAL 7 H5 NAL 7 7.034 6.476 -2.403
47 H6 NAL 7 H6 NAL 7 5.972 8.708 -2.233
48 H7 NAL 7 H7 NAL 7 3.927 9.026 -0.862
49 H8 NAL 7 H8 NAL 7 2.920 7.111 0.352
50 H91 NAL 7 H91 NAL 7 2.738 2.214 0.827
51 H92 NAL 7 H92 NAL 7 4.205 1.246 0.688
52 H10 NAL 7 H10 NAL 7 3.736 3.364 2.818
53 HN1 NAL 7 HN1 NAL 7 6.153 2.784 2.105
54 H ILE 8 HN ILE 8 4.420 -0.111 2.488
55 HA ILE 8 HA ILE 8 2.467 -0.661 4.649
56 HB ILE 8 HB ILE 8 1.554 -2.497 2.898
57 HG12 ILE 8 HG12 ILE 8 1.332 -1.536 0.639
58 HG13 ILE 8 HG11 ILE 8 2.295 -0.145 1.102
59 HG21 ILE 8 HG21 ILE 8 -0.300 -1.006 2.353
60 HG22 ILE 8 HG22 ILE 8 0.669 0.406 2.784
61 HG23 ILE 8 HG23 ILE 8 0.180 -0.750 4.033
62 HD11 ILE 8 HD11 ILE 8 3.351 -2.974 1.226
63 HD12 ILE 8 HD12 ILE 8 4.273 -1.463 1.253
64 HD13 ILE 8 HD13 ILE 8 3.459 -1.982 -0.219
65 H LYS 9 HN LYS 9 3.561 -1.909 5.992
66 HA LYS 9 HA LYS 9 5.704 -3.685 5.035
67 HB2 LYS 9 HB2 LYS 9 4.917 -2.730 7.798
68 HB3 LYS 9 HB1 LYS 9 6.159 -3.951 7.524
69 HG2 LYS 9 HG2 LYS 9 7.538 -2.417 6.296
70 HG3 LYS 9 HG1 LYS 9 6.248 -1.221 6.203
71 HD2 LYS 9 HD2 LYS 9 7.858 -0.561 7.921
72 HD3 LYS 9 HD1 LYS 9 6.320 -0.971 8.675
73 HE2 LYS 9 HE2 LYS 9 7.148 -3.047 9.491
74 HE3 LYS 9 HE1 LYS 9 8.530 -3.028 8.394
75 HZ1 LYS 9 HZ1 LYS 9 8.075 -1.397 10.812
76 HZ2 LYS 9 HZ2 LYS 9 9.182 -0.912 9.618
77 HZ3 LYS 9 HZ3 LYS 9 9.399 -2.388 10.433
78 H GLY 10 HN GLY 10 5.314 -5.809 4.739
79 HA2 GLY 10 HA2 GLY 10 4.600 -7.987 5.435
80 HA3 GLY 10 HA1 GLY 10 3.432 -7.253 6.527
81 H ARG 11 HN ARG 11 2.611 -5.457 4.112
82 HA ARG 11 HA ARG 11 1.090 -7.520 2.528
83 HB2 ARG 11 HB2 ARG 11 -0.060 -4.973 3.716
84 HB3 ARG 11 HB1 ARG 11 -0.925 -6.122 2.694
85 HG2 ARG 11 HG2 ARG 11 -0.662 -7.875 4.369
86 HG3 ARG 11 HG1 ARG 11 0.316 -6.805 5.375
87 HD2 ARG 11 HD2 ARG 11 -2.555 -6.250 4.579
88 HD3 ARG 11 HD1 ARG 11 -2.064 -6.936 6.128
89 HE ARG 11 HE ARG 11 -0.564 -4.608 5.922
90 HH11 ARG 11 HH21 ARG 11 -3.907 -5.455 5.724
91 HH12 ARG 11 HH22 ARG 11 -4.463 -3.933 6.335
92 HH21 ARG 11 HH11 ARG 11 -1.277 -2.622 6.721
93 HH22 ARG 11 HH12 ARG 11 -2.975 -2.331 6.900
94 H THR 12 HN THR 12 2.289 -7.156 0.630
95 HA THR 12 HA THR 12 2.422 -4.398 -0.425
96 HB THR 12 HB THR 12 3.897 -5.976 -2.182
97 HG1 THR 12 HG1 THR 12 3.444 -7.530 -0.235
98 HG21 THR 12 HG21 THR 12 4.616 -3.834 -1.205
99 HG22 THR 12 HG22 THR 12 5.883 -5.051 -1.053
100 HG23 THR 12 HG23 THR 12 4.896 -4.622 0.345
101 H PHE 13 HN PHE 13 1.953 -4.112 -2.722
102 HA PHE 13 HA PHE 13 -0.217 -5.954 -3.704
103 HB2 PHE 13 HB2 PHE 13 -0.007 -2.940 -3.967
104 HB3 PHE 13 HB1 PHE 13 -1.323 -3.946 -4.580
105 HD1 PHE 13 HD2 PHE 13 0.434 -2.826 -1.478
106 HD2 PHE 13 HD1 PHE 13 -3.069 -4.699 -3.120
107 HE1 PHE 13 HE2 PHE 13 -0.653 -2.804 0.759
108 HE2 PHE 13 HE1 PHE 13 -4.146 -4.645 -0.895
109 HZ PHE 13 HZ PHE 13 -2.930 -3.683 1.035
110 H ARG 14 HN ARG 14 0.052 -6.685 -5.756
111 HA ARG 14 HA ARG 14 2.481 -6.157 -7.213
112 HB2 ARG 14 HB2 ARG 14 -0.150 -7.454 -8.020
113 HB3 ARG 14 HB1 ARG 14 1.207 -7.301 -9.134
114 HG2 ARG 14 HG2 ARG 14 1.214 -9.508 -8.037
115 HG3 ARG 14 HG1 ARG 14 2.643 -8.577 -7.594
116 HD2 ARG 14 HD2 ARG 14 1.826 -8.145 -5.410
117 HD3 ARG 14 HD1 ARG 14 0.161 -8.529 -5.857
118 HE ARG 14 HE ARG 14 1.537 -10.905 -6.273
119 HH11 ARG 14 HH21 ARG 14 1.131 -8.662 -3.677
120 HH12 ARG 14 HH22 ARG 14 1.294 -9.864 -2.440
121 HH21 ARG 14 HH11 ARG 14 1.747 -12.480 -4.669
122 HH22 ARG 14 HH12 ARG 14 1.642 -12.023 -3.002
123 H ASN 15 HN ASN 15 -0.848 -5.005 -7.451
124 HA ASN 15 HA ASN 15 -0.016 -2.891 -9.418
125 HB2 ASN 15 HB2 ASN 15 -2.721 -2.634 -9.322
126 HB3 ASN 15 HB1 ASN 15 -1.918 -3.734 -10.446
127 HD21 ASN 15 HD21 ASN 15 -3.785 -5.178 -10.415
128 HD22 ASN 15 HD22 ASN 15 -4.094 -6.182 -9.083
129 H GLU 16 HN GLU 16 0.181 -0.874 -8.645
130 HA GLU 16 HA GLU 16 -0.218 -0.297 -5.878
131 HB2 GLU 16 HB2 GLU 16 1.326 0.943 -7.482
132 HB3 GLU 16 HB1 GLU 16 -0.107 1.724 -8.148
133 HG2 GLU 16 HG2 GLU 16 -0.647 2.522 -5.803
134 HG3 GLU 16 HG1 GLU 16 0.929 1.908 -5.308
135 H LYS 17 HN LYS 17 -2.358 -0.195 -8.633
136 HA LYS 17 HA LYS 17 -4.285 1.606 -7.675
137 HB2 LYS 17 HB2 LYS 17 -4.136 -0.479 -9.738
138 HB3 LYS 17 HB1 LYS 17 -5.729 -0.487 -8.992
139 HG2 LYS 17 HG2 LYS 17 -5.859 1.021 -10.846
140 HG3 LYS 17 HG1 LYS 17 -5.822 2.022 -9.394
141 HD2 LYS 17 HD2 LYS 17 -3.260 2.152 -9.754
142 HD3 LYS 17 HD1 LYS 17 -3.567 1.483 -11.356
143 HE2 LYS 17 HE2 LYS 17 -5.198 3.376 -11.736
144 HE3 LYS 17 HE1 LYS 17 -4.635 4.075 -10.219
145 HZ1 LYS 17 HZ1 LYS 17 -2.768 3.341 -12.390
146 HZ2 LYS 17 HZ2 LYS 17 -2.495 4.371 -11.067
147 HZ3 LYS 17 HZ3 LYS 17 -3.517 4.862 -12.332
148 H GLU 18 HN GLU 18 -4.004 -1.905 -7.133
149 HA GLU 18 HA GLU 18 -6.268 -2.146 -5.469
150 HB2 GLU 18 HB2 GLU 18 -3.692 -3.724 -5.497
151 HB3 GLU 18 HB1 GLU 18 -5.133 -4.197 -4.592
152 HG2 GLU 18 HG2 GLU 18 -5.123 -3.711 -7.587
153 HG3 GLU 18 HG1 GLU 18 -4.901 -5.300 -6.857
154 H LEU 19 HN LEU 19 -3.008 -1.029 -4.836
155 HA LEU 19 HA LEU 19 -3.324 -1.035 -1.942
156 HB2 LEU 19 HB2 LEU 19 -1.077 -1.107 -2.714
157 HB3 LEU 19 HB1 LEU 19 -1.327 0.212 -3.830
158 HG LEU 19 HG LEU 19 -1.545 1.759 -1.871
159 HD11 LEU 19 HD11 LEU 19 -0.849 0.999 0.341
160 HD12 LEU 19 HD12 LEU 19 -0.656 -0.632 -0.275
161 HD13 LEU 19 HD13 LEU 19 -2.256 0.079 -0.178
162 HD21 LEU 19 HD21 LEU 19 0.860 1.689 -1.251
163 HD22 LEU 19 HD22 LEU 19 0.598 1.532 -2.985
164 HD23 LEU 19 HD23 LEU 19 0.975 0.107 -2.022
165 H ARG 20 HN ARG 20 -3.858 1.257 -4.575
166 HA ARG 20 HA ARG 20 -4.331 3.589 -2.989
167 HB2 ARG 20 HB2 ARG 20 -4.059 3.579 -5.485
168 HB3 ARG 20 HB1 ARG 20 -5.651 2.834 -5.613
169 HG2 ARG 20 HG2 ARG 20 -6.670 4.779 -4.501
170 HG3 ARG 20 HG1 ARG 20 -5.079 5.522 -4.319
171 HD2 ARG 20 HD2 ARG 20 -4.816 5.528 -6.783
172 HD3 ARG 20 HD1 ARG 20 -6.429 4.832 -6.945
173 HE ARG 20 HE ARG 20 -6.836 7.119 -5.422
174 HH11 ARG 20 HH21 ARG 20 -5.359 6.358 -8.450
175 HH12 ARG 20 HH22 ARG 20 -5.723 7.894 -9.162
176 HH21 ARG 20 HH11 ARG 20 -7.317 9.125 -6.340
177 HH22 ARG 20 HH12 ARG 20 -6.831 9.458 -7.969
178 H ASP 21 HN ASP 21 -6.325 0.919 -3.993
179 HA ASP 21 HA ASP 21 -8.778 1.940 -2.911
180 HB2 ASP 21 HB2 ASP 21 -7.960 -0.852 -3.744
181 HB3 ASP 21 HB1 ASP 21 -9.595 -0.410 -3.254
182 H PHE 22 HN PHE 22 -6.526 -0.621 -1.841
183 HA PHE 22 HA PHE 22 -7.841 -1.087 0.619
184 HB2 PHE 22 HB2 PHE 22 -5.109 -1.644 -0.472
185 HB3 PHE 22 HB1 PHE 22 -5.317 -1.802 1.263
186 HD1 PHE 22 HD2 PHE 22 -7.681 -2.570 -1.548
187 HD2 PHE 22 HD1 PHE 22 -5.340 -4.137 1.703
188 HE1 PHE 22 HE2 PHE 22 -8.685 -4.800 -1.892
189 HE2 PHE 22 HE1 PHE 22 -6.350 -6.359 1.351
190 HZ PHE 22 HZ PHE 22 -8.024 -6.701 -0.445
191 H ILE 23 HN ILE 23 -5.721 1.414 -0.449
192 HA ILE 23 HA ILE 23 -4.876 2.365 2.130
193 HB ILE 23 HB ILE 23 -4.940 3.390 -0.675
194 HG12 ILE 23 HG12 ILE 23 -2.853 3.561 1.536
195 HG13 ILE 23 HG11 ILE 23 -2.959 2.266 0.354
196 HG21 ILE 23 HG21 ILE 23 -4.886 5.261 1.693
197 HG22 ILE 23 HG22 ILE 23 -5.940 5.326 0.277
198 HG23 ILE 23 HG23 ILE 23 -4.235 5.711 0.117
199 HD11 ILE 23 HD11 ILE 23 -1.247 3.900 -0.296
200 HD12 ILE 23 HD12 ILE 23 -2.454 5.184 -0.275
201 HD13 ILE 23 HD13 ILE 23 -2.567 3.888 -1.457
202 H GLU 24 HN GLU 24 -7.627 2.928 0.069
203 HA GLU 24 HA GLU 24 -8.838 4.965 1.652
204 HB2 GLU 24 HB2 GLU 24 -10.115 2.939 -0.203
205 HB3 GLU 24 HB1 GLU 24 -11.006 4.243 0.568
206 HG2 GLU 24 HG2 GLU 24 -9.487 5.894 -0.488
207 HG3 GLU 24 HG1 GLU 24 -8.644 4.578 -1.306
208 H LYS 25 HN LYS 25 -8.647 1.506 1.988
209 HA LYS 25 HA LYS 25 -10.793 1.274 3.947
210 HB2 LYS 25 HB2 LYS 25 -9.918 -0.633 2.533
211 HB3 LYS 25 HB1 LYS 25 -8.454 -0.613 3.513
212 HG2 LYS 25 HG2 LYS 25 -9.833 -1.005 5.548
213 HG3 LYS 25 HG1 LYS 25 -11.274 -1.096 4.532
214 HD2 LYS 25 HD2 LYS 25 -10.372 -3.022 3.348
215 HD3 LYS 25 HD1 LYS 25 -8.852 -2.894 4.231
216 HE2 LYS 25 HE2 LYS 25 -10.462 -4.640 5.127
217 HE3 LYS 25 HE1 LYS 25 -9.919 -3.453 6.312
218 HZ1 LYS 25 HZ1 LYS 25 -11.953 -2.546 6.468
219 HZ2 LYS 25 HZ2 LYS 25 -12.477 -4.051 5.881
220 HZ3 LYS 25 HZ3 LYS 25 -12.299 -2.738 4.818
221 H PHE 26 HN PHE 26 -7.202 1.401 4.178
222 HA PHE 26 HA PHE 26 -7.119 1.270 7.038
223 HB2 PHE 26 HB2 PHE 26 -5.132 2.902 5.426
224 HB3 PHE 26 HB1 PHE 26 -4.849 1.981 6.897
225 HD1 PHE 26 HD1 PHE 26 -6.277 -0.629 6.054
226 HD2 PHE 26 HD2 PHE 26 -3.487 1.928 3.992
227 HE1 PHE 26 HE1 PHE 26 -5.508 -2.546 4.705
228 HE2 PHE 26 HE2 PHE 26 -2.731 -0.010 2.634
229 HZ PHE 26 HZ PHE 26 -3.738 -2.243 3.001
230 H11A DNS 27 H22 DNS 27 4.659 6.608 2.083
231 H12 DNS 27 H23 DNS 27 5.519 5.105 2.434
232 H13 DNS 27 H24 DNS 27 5.815 6.550 3.425
233 H21 DNS 27 H21 DNS 27 3.776 4.718 5.723
234 H22 DNS 27 H19 DNS 27 5.350 5.465 5.393
235 H23 DNS 27 H20 DNS 27 4.947 3.911 4.657
236 H4 DNS 27 H14 DNS 27 4.835 7.757 5.160
237 H5 DNS 27 H15 DNS 27 3.351 9.671 5.811
238 H6 DNS 27 H16 DNS 27 0.920 9.640 5.203
239 HZ DNS 27 HZ1 DNS 27 -2.525 7.889 2.905
240 HE3 DNS 27 HE1 DNS 27 -3.044 6.576 4.733
241 HE2 DNS 27 HE2 DNS 27 -3.331 8.000 5.716
242 HD3 DNS 27 HD1 DNS 27 -5.345 8.511 4.407
243 HD2 DNS 27 HD2 DNS 27 -5.059 7.087 3.404
244 HG3 DNS 27 HG1 DNS 27 -5.294 5.624 5.334
245 HG2 DNS 27 HG2 DNS 27 -5.428 7.011 6.416
246 HB3 DNS 27 HB1 DNS 27 -7.520 7.682 5.381
247 HB2 DNS 27 HB2 DNS 27 -7.366 6.421 4.158
248 HA DNS 27 HA DNS 27 -7.578 5.922 7.145
249 H DNS 27 HN DNS 27 -7.147 4.097 4.849
250 H9 DNS 27 H9 DNS 27 -1.938 6.547 2.871
251 H10 DNS 27 H10 DNS 27 -0.454 4.655 2.221
252 H11 DNS 27 H11 DNS 27 1.972 4.683 2.831
253 H GLY 28 HN GLY 28 -9.321 7.774 6.180
254 HA2 GLY 28 HA2 GLY 28 -11.666 6.801 4.896
255 HA3 GLY 28 HA1 GLY 28 -11.874 6.602 6.637
256 H ARG 29 HN ARG 29 -10.991 8.739 7.842
257 HA ARG 29 HA ARG 29 -12.792 10.850 7.070
258 HB2 ARG 29 HB2 ARG 29 -12.054 10.409 9.421
259 HB3 ARG 29 HB1 ARG 29 -10.440 10.980 8.987
260 HG2 ARG 29 HG2 ARG 29 -11.310 13.172 8.433
261 HG3 ARG 29 HG1 ARG 29 -12.961 12.626 8.694
262 HD2 ARG 29 HD2 ARG 29 -10.794 12.650 10.801
263 HD3 ARG 29 HD1 ARG 29 -12.030 13.892 10.651
264 HE ARG 29 HE ARG 29 -12.273 11.302 11.931
265 HH11 ARG 29 HH21 ARG 29 -14.040 13.511 9.947
266 HH12 ARG 29 HH22 ARG 29 -15.576 12.804 10.324
267 HH21 ARG 29 HH11 ARG 29 -14.255 10.392 12.426
268 HH22 ARG 29 HH12 ARG 29 -15.697 11.044 11.722
Start of MODEL 8
1 H1 GLY 1 HT1 GLY 1 7.976 5.276 -8.588
2 H2 GLY 1 HT2 GLY 1 7.737 5.233 -10.269
3 H3 GLY 1 HT3 GLY 1 9.058 6.080 -9.618
4 HA2 GLY 1 HA2 GLY 1 8.811 3.288 -10.402
5 HA3 GLY 1 HA1 GLY 1 10.234 4.193 -9.805
6 H GLN 2 HN GLN 2 9.455 5.024 -7.304
7 HA GLN 2 HA GLN 2 11.427 3.266 -6.166
8 HB2 GLN 2 HB2 GLN 2 9.415 5.131 -4.867
9 HB3 GLN 2 HB1 GLN 2 10.685 4.289 -3.981
10 HG2 GLN 2 HG2 GLN 2 11.493 6.508 -4.502
11 HG3 GLN 2 HG1 GLN 2 12.372 5.363 -5.514
12 HE21 GLN 2 HE21 GLN 2 9.262 7.207 -5.707
13 HE22 GLN 2 HE22 GLN 2 9.471 7.663 -7.328
14 H GLN 3 HN GLN 3 11.142 1.220 -5.449
15 HA GLN 3 HA GLN 3 8.543 -0.045 -5.456
16 HB2 GLN 3 HB2 GLN 3 11.193 -0.969 -4.301
17 HB3 GLN 3 HB1 GLN 3 9.765 -1.987 -4.491
18 HG2 GLN 3 HG2 GLN 3 9.795 -1.538 -6.935
19 HG3 GLN 3 HG1 GLN 3 11.265 -0.587 -6.724
20 HE21 GLN 3 HE21 GLN 3 13.261 -1.725 -6.378
21 HE22 GLN 3 HE22 GLN 3 13.377 -3.416 -6.464
22 H TYR 4 HN TYR 4 7.297 -0.707 -3.647
23 HA TYR 4 HA TYR 4 7.304 1.058 -1.432
24 HB2 TYR 4 HB2 TYR 4 5.782 -1.186 -0.617
25 HB3 TYR 4 HB1 TYR 4 5.153 0.256 -1.402
26 HD1 TYR 4 HD1 TYR 4 7.160 -2.750 -2.477
27 HD2 TYR 4 HD2 TYR 4 3.725 -0.255 -3.239
28 HE1 TYR 4 HE1 TYR 4 6.602 -4.112 -4.466
29 HE2 TYR 4 HE2 TYR 4 3.184 -1.630 -5.225
30 HH TYR 4 HH TYR 4 4.261 -3.126 -6.778
31 H THR 5 HN THR 5 8.668 1.034 0.305
32 HA THR 5 HA THR 5 9.854 -1.597 1.203
33 HB THR 5 HB THR 5 11.805 -0.303 1.952
34 HG1 THR 5 HG1 THR 5 11.070 1.939 0.542
35 HG21 THR 5 HG21 THR 5 11.130 0.365 -0.915
36 HG22 THR 5 HG22 THR 5 11.670 -1.225 -0.386
37 HG23 THR 5 HG23 THR 5 12.738 0.169 -0.226
38 H ALA 6 HN ALA 6 8.271 1.384 2.154
39 HA ALA 6 HA ALA 6 8.239 0.481 5.037
40 HB1 ALA 6 HB1 ALA 6 9.508 2.614 4.592
41 HB2 ALA 6 HB2 ALA 6 8.112 2.833 5.647
42 HB3 ALA 6 HB3 ALA 6 8.018 3.315 3.949
43 H1 NAL 7 H1 NAL 7 3.630 4.836 1.820
44 H3 NAL 7 H3 NAL 7 6.573 2.161 0.208
45 H4 NAL 7 H4 NAL 7 7.860 4.066 -0.715
46 H5 NAL 7 H5 NAL 7 8.136 6.613 -1.028
47 H6 NAL 7 H6 NAL 7 7.295 8.912 -0.646
48 H7 NAL 7 H7 NAL 7 5.188 9.286 0.614
49 H8 NAL 7 H8 NAL 7 3.900 7.360 1.498
50 H91 NAL 7 H91 NAL 7 3.198 2.489 1.386
51 H92 NAL 7 H92 NAL 7 4.566 1.388 1.194
52 H10 NAL 7 H10 NAL 7 4.177 3.298 3.529
53 HN1 NAL 7 HN1 NAL 7 6.570 2.664 2.861
54 H ILE 8 HN ILE 8 4.587 -0.151 2.779
55 HA ILE 8 HA ILE 8 2.537 -0.802 4.830
56 HB ILE 8 HB ILE 8 1.541 -2.340 2.840
57 HG12 ILE 8 HG12 ILE 8 1.439 -1.068 0.723
58 HG13 ILE 8 HG11 ILE 8 2.508 0.163 1.382
59 HG21 ILE 8 HG21 ILE 8 0.261 -0.659 4.164
60 HG22 ILE 8 HG22 ILE 8 -0.178 -0.639 2.455
61 HG23 ILE 8 HG23 ILE 8 0.883 0.617 3.104
62 HD11 ILE 8 HD11 ILE 8 3.540 -1.605 -0.149
63 HD12 ILE 8 HD12 ILE 8 3.328 -2.731 1.176
64 HD13 ILE 8 HD13 ILE 8 4.365 -1.321 1.382
65 H LYS 9 HN LYS 9 3.705 -2.133 6.062
66 HA LYS 9 HA LYS 9 5.685 -3.944 4.916
67 HB2 LYS 9 HB2 LYS 9 6.112 -2.619 7.007
68 HB3 LYS 9 HB1 LYS 9 4.891 -3.606 7.813
69 HG2 LYS 9 HG2 LYS 9 6.181 -5.631 7.389
70 HG3 LYS 9 HG1 LYS 9 7.352 -4.724 6.440
71 HD2 LYS 9 HD2 LYS 9 8.350 -4.989 8.597
72 HD3 LYS 9 HD1 LYS 9 7.794 -3.320 8.530
73 HE2 LYS 9 HE2 LYS 9 5.914 -3.788 9.932
74 HE3 LYS 9 HE1 LYS 9 6.101 -5.530 9.738
75 HZ1 LYS 9 HZ1 LYS 9 8.295 -5.296 10.842
76 HZ2 LYS 9 HZ2 LYS 9 6.972 -4.929 11.842
77 HZ3 LYS 9 HZ3 LYS 9 7.912 -3.678 11.178
78 H GLY 10 HN GLY 10 5.641 -6.209 5.147
79 HA2 GLY 10 HA2 GLY 10 4.711 -8.343 5.391
80 HA3 GLY 10 HA1 GLY 10 3.535 -7.635 6.492
81 H ARG 11 HN ARG 11 2.812 -5.690 4.187
82 HA ARG 11 HA ARG 11 1.279 -7.603 2.442
83 HB2 ARG 11 HB2 ARG 11 0.159 -5.115 3.773
84 HB3 ARG 11 HB1 ARG 11 -0.709 -6.184 2.671
85 HG2 ARG 11 HG2 ARG 11 -0.321 -8.068 4.269
86 HG3 ARG 11 HG1 ARG 11 0.405 -6.924 5.393
87 HD2 ARG 11 HD2 ARG 11 -1.926 -5.620 4.966
88 HD3 ARG 11 HD1 ARG 11 -2.486 -7.261 4.649
89 HE ARG 11 HE ARG 11 -2.039 -6.135 7.213
90 HH11 ARG 11 HH21 ARG 11 -1.222 -8.984 5.440
91 HH12 ARG 11 HH22 ARG 11 -0.811 -9.893 6.851
92 HH21 ARG 11 HH11 ARG 11 -1.531 -7.319 9.049
93 HH22 ARG 11 HH12 ARG 11 -0.995 -8.957 8.890
94 H THR 12 HN THR 12 2.498 -7.150 0.585
95 HA THR 12 HA THR 12 2.669 -4.337 -0.298
96 HB THR 12 HB THR 12 4.235 -5.776 -2.083
97 HG1 THR 12 HG1 THR 12 5.486 -6.917 -0.220
98 HG21 THR 12 HG21 THR 12 6.162 -4.874 -0.847
99 HG22 THR 12 HG22 THR 12 5.135 -4.567 0.553
100 HG23 THR 12 HG23 THR 12 4.874 -3.669 -0.941
101 H PHE 13 HN PHE 13 2.164 -3.840 -2.468
102 HA PHE 13 HA PHE 13 -0.040 -5.554 -3.558
103 HB2 PHE 13 HB2 PHE 13 0.560 -2.600 -3.832
104 HB3 PHE 13 HB1 PHE 13 -0.803 -3.426 -4.587
105 HD1 PHE 13 HD1 PHE 13 0.785 -2.698 -1.267
106 HD2 PHE 13 HD2 PHE 13 -2.802 -3.780 -3.354
107 HE1 PHE 13 HE1 PHE 13 -0.510 -2.463 0.826
108 HE2 PHE 13 HE2 PHE 13 -4.093 -3.545 -1.265
109 HZ PHE 13 HZ PHE 13 -2.947 -2.873 0.821
110 H ARG 14 HN ARG 14 0.169 -6.370 -5.590
111 HA ARG 14 HA ARG 14 2.663 -5.924 -7.087
112 HB2 ARG 14 HB2 ARG 14 1.507 -8.151 -7.111
113 HB3 ARG 14 HB1 ARG 14 0.138 -7.407 -7.937
114 HG2 ARG 14 HG2 ARG 14 1.546 -6.821 -9.839
115 HG3 ARG 14 HG1 ARG 14 2.979 -7.423 -9.005
116 HD2 ARG 14 HD2 ARG 14 1.917 -9.686 -8.915
117 HD3 ARG 14 HD1 ARG 14 0.582 -9.058 -9.881
118 HE ARG 14 HE ARG 14 2.837 -8.425 -11.370
119 HH11 ARG 14 HH21 ARG 14 1.512 -11.275 -9.938
120 HH12 ARG 14 HH22 ARG 14 2.158 -12.338 -11.142
121 HH21 ARG 14 HH11 ARG 14 3.685 -9.803 -12.946
122 HH22 ARG 14 HH12 ARG 14 3.387 -11.506 -12.844
123 H ASN 15 HN ASN 15 -0.773 -5.143 -7.378
124 HA ASN 15 HA ASN 15 -0.181 -3.150 -9.544
125 HB2 ASN 15 HB2 ASN 15 -2.788 -3.126 -9.638
126 HB3 ASN 15 HB1 ASN 15 -1.939 -4.496 -10.362
127 HD21 ASN 15 HD21 ASN 15 -4.247 -5.436 -9.873
128 HD22 ASN 15 HD22 ASN 15 -4.431 -6.202 -8.369
129 H GLU 16 HN GLU 16 -0.204 -1.052 -8.959
130 HA GLU 16 HA GLU 16 -0.731 -0.283 -6.259
131 HB2 GLU 16 HB2 GLU 16 -0.573 1.385 -8.791
132 HB3 GLU 16 HB1 GLU 16 -0.664 2.068 -7.167
133 HG2 GLU 16 HG2 GLU 16 1.666 2.006 -7.797
134 HG3 GLU 16 HG1 GLU 16 1.411 0.755 -6.582
135 H LYS 17 HN LYS 17 -2.737 -0.795 -8.992
136 HA LYS 17 HA LYS 17 -4.927 0.864 -8.482
137 HB2 LYS 17 HB2 LYS 17 -4.589 -0.724 -10.450
138 HB3 LYS 17 HB1 LYS 17 -5.140 -2.020 -9.397
139 HG2 LYS 17 HG2 LYS 17 -7.250 -0.762 -8.988
140 HG3 LYS 17 HG1 LYS 17 -6.718 0.475 -10.121
141 HD2 LYS 17 HD2 LYS 17 -6.888 -2.435 -10.977
142 HD3 LYS 17 HD1 LYS 17 -8.318 -1.411 -10.997
143 HE2 LYS 17 HE2 LYS 17 -7.059 0.217 -12.453
144 HE3 LYS 17 HE1 LYS 17 -5.743 -0.954 -12.540
145 HZ1 LYS 17 HZ1 LYS 17 -6.833 -2.068 -14.085
146 HZ2 LYS 17 HZ2 LYS 17 -8.035 -0.867 -14.092
147 HZ3 LYS 17 HZ3 LYS 17 -8.195 -2.229 -13.089
148 H GLU 18 HN GLU 18 -4.266 -2.401 -7.199
149 HA GLU 18 HA GLU 18 -6.589 -2.441 -5.523
150 HB2 GLU 18 HB2 GLU 18 -4.029 -4.049 -5.557
151 HB3 GLU 18 HB1 GLU 18 -5.294 -4.340 -4.361
152 HG2 GLU 18 HG2 GLU 18 -6.905 -4.849 -6.096
153 HG3 GLU 18 HG1 GLU 18 -5.769 -4.369 -7.356
154 H LEU 19 HN LEU 19 -3.329 -1.206 -5.115
155 HA LEU 19 HA LEU 19 -3.487 -0.891 -2.246
156 HB2 LEU 19 HB2 LEU 19 -1.325 -0.878 -3.335
157 HB3 LEU 19 HB1 LEU 19 -1.808 0.455 -4.359
158 HG LEU 19 HG LEU 19 -2.038 1.780 -2.145
159 HD11 LEU 19 HD11 LEU 19 -1.803 -0.285 -0.692
160 HD12 LEU 19 HD12 LEU 19 -0.787 1.079 -0.256
161 HD13 LEU 19 HD13 LEU 19 -0.099 -0.281 -1.136
162 HD21 LEU 19 HD21 LEU 19 -0.296 2.250 -3.779
163 HD22 LEU 19 HD22 LEU 19 0.666 0.912 -3.152
164 HD23 LEU 19 HD23 LEU 19 0.376 2.334 -2.150
165 H ARG 20 HN ARG 20 -4.385 1.094 -5.037
166 HA ARG 20 HA ARG 20 -4.960 3.523 -3.656
167 HB2 ARG 20 HB2 ARG 20 -4.888 3.274 -6.148
168 HB3 ARG 20 HB1 ARG 20 -6.406 2.384 -6.063
169 HG2 ARG 20 HG2 ARG 20 -7.535 4.329 -5.098
170 HG3 ARG 20 HG1 ARG 20 -6.014 5.223 -5.065
171 HD2 ARG 20 HD2 ARG 20 -5.867 5.032 -7.531
172 HD3 ARG 20 HD1 ARG 20 -7.416 4.188 -7.546
173 HE ARG 20 HE ARG 20 -7.955 6.557 -6.199
174 HH11 ARG 20 HH21 ARG 20 -6.560 5.664 -9.230
175 HH12 ARG 20 HH22 ARG 20 -7.095 7.095 -10.046
176 HH21 ARG 20 HH11 ARG 20 -8.659 8.425 -7.251
177 HH22 ARG 20 HH12 ARG 20 -8.283 8.657 -8.926
178 H ASP 21 HN ASP 21 -6.818 0.630 -4.217
179 HA ASP 21 HA ASP 21 -9.244 1.593 -3.022
180 HB2 ASP 21 HB2 ASP 21 -8.307 -1.208 -3.684
181 HB3 ASP 21 HB1 ASP 21 -9.923 -0.822 -3.092
182 H PHE 22 HN PHE 22 -6.748 -0.722 -1.940
183 HA PHE 22 HA PHE 22 -7.817 -1.069 0.648
184 HB2 PHE 22 HB2 PHE 22 -5.131 -1.486 -0.618
185 HB3 PHE 22 HB1 PHE 22 -5.202 -1.524 1.137
186 HD1 PHE 22 HD2 PHE 22 -7.719 -2.699 -1.387
187 HD2 PHE 22 HD1 PHE 22 -4.962 -3.818 1.720
188 HE1 PHE 22 HE2 PHE 22 -8.543 -5.024 -1.484
189 HE2 PHE 22 HE1 PHE 22 -5.792 -6.137 1.613
190 HZ PHE 22 HZ PHE 22 -7.585 -6.750 0.014
191 H ILE 23 HN ILE 23 -6.008 1.488 -0.779
192 HA ILE 23 HA ILE 23 -5.086 2.729 1.655
193 HB ILE 23 HB ILE 23 -5.391 3.484 -1.226
194 HG12 ILE 23 HG12 ILE 23 -3.145 3.951 0.776
195 HG13 ILE 23 HG11 ILE 23 -3.296 2.508 -0.220
196 HG21 ILE 23 HG21 ILE 23 -5.254 5.533 0.987
197 HG22 ILE 23 HG22 ILE 23 -6.388 5.459 -0.366
198 HG23 ILE 23 HG23 ILE 23 -4.710 5.888 -0.652
199 HD11 ILE 23 HD11 ILE 23 -3.119 3.887 -2.247
200 HD12 ILE 23 HD12 ILE 23 -1.720 4.126 -1.214
201 HD13 ILE 23 HD13 ILE 23 -2.998 5.339 -1.265
202 H GLU 24 HN GLU 24 -7.990 2.884 -0.276
203 HA GLU 24 HA GLU 24 -9.236 5.025 1.118
204 HB2 GLU 24 HB2 GLU 24 -10.497 2.678 -0.324
205 HB3 GLU 24 HB1 GLU 24 -11.426 4.009 0.347
206 HG2 GLU 24 HG2 GLU 24 -10.201 5.605 -1.061
207 HG3 GLU 24 HG1 GLU 24 -9.231 4.293 -1.727
208 H LYS 25 HN LYS 25 -8.795 1.658 1.898
209 HA LYS 25 HA LYS 25 -10.726 1.639 4.099
210 HB2 LYS 25 HB2 LYS 25 -8.437 -0.237 3.431
211 HB3 LYS 25 HB1 LYS 25 -9.613 -0.522 4.705
212 HG2 LYS 25 HG2 LYS 25 -10.543 -0.024 1.859
213 HG3 LYS 25 HG1 LYS 25 -10.005 -1.627 2.347
214 HD2 LYS 25 HD2 LYS 25 -11.686 -1.572 4.213
215 HD3 LYS 25 HD1 LYS 25 -12.284 -0.041 3.579
216 HE2 LYS 25 HE2 LYS 25 -12.823 -1.111 1.440
217 HE3 LYS 25 HE1 LYS 25 -12.184 -2.645 2.033
218 HZ1 LYS 25 HZ1 LYS 25 -14.720 -2.098 2.192
219 HZ2 LYS 25 HZ2 LYS 25 -14.248 -1.280 3.604
220 HZ3 LYS 25 HZ3 LYS 25 -13.937 -2.942 3.439
221 H PHE 26 HN PHE 26 -7.139 1.856 3.899
222 HA PHE 26 HA PHE 26 -6.724 2.074 6.720
223 HB2 PHE 26 HB2 PHE 26 -5.023 3.552 4.687
224 HB3 PHE 26 HB1 PHE 26 -4.525 2.878 6.232
225 HD1 PHE 26 HD1 PHE 26 -5.943 0.104 5.879
226 HD2 PHE 26 HD2 PHE 26 -3.412 2.447 3.296
227 HE1 PHE 26 HE1 PHE 26 -5.202 -1.949 4.735
228 HE2 PHE 26 HE2 PHE 26 -2.684 0.370 2.141
229 HZ PHE 26 HZ PHE 26 -3.575 -1.822 2.876
230 H11A DNS 27 H22 DNS 27 0.914 4.745 0.056
231 H12 DNS 27 H23 DNS 27 2.570 4.534 -0.522
232 H13 DNS 27 H24 DNS 27 1.275 4.942 -1.669
233 H21 DNS 27 H21 DNS 27 2.558 6.916 -2.421
234 H22 DNS 27 H19 DNS 27 3.846 6.441 -1.299
235 H23 DNS 27 H20 DNS 27 3.158 8.065 -1.206
236 H4 DNS 27 H14 DNS 27 0.372 6.853 -2.650
237 H5 DNS 27 H15 DNS 27 -1.737 8.204 -2.699
238 H6 DNS 27 H16 DNS 27 -2.541 9.357 -0.628
239 HZ DNS 27 HZ1 DNS 27 -3.036 8.247 0.886
240 HE3 DNS 27 HE1 DNS 27 -3.651 7.084 2.638
241 HE2 DNS 27 HE2 DNS 27 -3.479 8.555 3.571
242 HD3 DNS 27 HD1 DNS 27 -5.788 9.182 3.062
243 HD2 DNS 27 HD2 DNS 27 -5.969 7.750 2.048
244 HG3 DNS 27 HG1 DNS 27 -5.424 6.343 4.066
245 HG2 DNS 27 HG2 DNS 27 -5.460 7.814 5.040
246 HB3 DNS 27 HB1 DNS 27 -7.790 8.210 4.396
247 HB2 DNS 27 HB2 DNS 27 -7.766 6.788 3.353
248 HA DNS 27 HA DNS 27 -7.254 6.720 6.342
249 H DNS 27 HN DNS 27 -7.140 4.642 4.264
250 H9 DNS 27 H9 DNS 27 -0.914 9.691 3.902
251 H10 DNS 27 H10 DNS 27 1.188 8.345 3.934
252 H11 DNS 27 H11 DNS 27 1.985 7.199 1.860
253 H GLY 28 HN GLY 28 -9.071 6.955 7.540
254 HA2 GLY 28 HA2 GLY 28 -11.648 7.365 6.327
255 HA3 GLY 28 HA1 GLY 28 -11.570 5.763 7.062
256 H ARG 29 HN ARG 29 -10.562 5.845 9.384
257 HA ARG 29 HA ARG 29 -12.199 7.709 10.954
258 HB2 ARG 29 HB2 ARG 29 -10.184 5.600 11.792
259 HB3 ARG 29 HB1 ARG 29 -11.235 6.488 12.895
260 HG2 ARG 29 HG2 ARG 29 -13.215 5.616 11.651
261 HG3 ARG 29 HG1 ARG 29 -12.126 4.649 10.655
262 HD2 ARG 29 HD2 ARG 29 -13.006 3.269 12.468
263 HD3 ARG 29 HD1 ARG 29 -11.279 3.535 12.715
264 HE ARG 29 HE ARG 29 -12.477 5.590 14.143
265 HH11 ARG 29 HH21 ARG 29 -12.748 2.149 14.021
266 HH12 ARG 29 HH22 ARG 29 -13.177 1.994 15.692
267 HH21 ARG 29 HH11 ARG 29 -13.035 5.400 16.322
268 HH22 ARG 29 HH12 ARG 29 -13.340 3.832 16.993
Start of MODEL 9
1 H1 GLY 1 HT1 GLY 1 10.921 2.795 -10.413
2 H2 GLY 1 HT2 GLY 1 12.278 3.098 -9.437
3 H3 GLY 1 HT3 GLY 1 10.765 2.809 -8.723
4 HA2 GLY 1 HA2 GLY 1 11.110 0.573 -10.356
5 HA3 GLY 1 HA1 GLY 1 12.656 0.897 -9.513
6 H GLN 2 HN GLN 2 12.277 2.056 -7.218
7 HA GLN 2 HA GLN 2 12.878 -0.395 -5.833
8 HB2 GLN 2 HB2 GLN 2 12.805 1.024 -3.782
9 HB3 GLN 2 HB1 GLN 2 13.796 1.733 -5.056
10 HG2 GLN 2 HG2 GLN 2 11.815 3.118 -5.744
11 HG3 GLN 2 HG1 GLN 2 10.948 2.493 -4.342
12 HE21 GLN 2 HE21 GLN 2 13.927 4.302 -5.226
13 HE22 GLN 2 HE22 GLN 2 14.026 5.151 -3.759
14 H GLN 3 HN GLN 3 11.552 -1.703 -4.585
15 HA GLN 3 HA GLN 3 8.694 -1.535 -5.045
16 HB2 GLN 3 HB2 GLN 3 8.570 -3.476 -3.484
17 HB3 GLN 3 HB1 GLN 3 9.721 -3.717 -4.798
18 HG2 GLN 3 HG2 GLN 3 11.564 -3.008 -3.283
19 HG3 GLN 3 HG1 GLN 3 10.400 -2.859 -1.970
20 HE21 GLN 3 HE21 GLN 3 12.577 -5.018 -3.387
21 HE22 GLN 3 HE22 GLN 3 11.942 -6.464 -2.764
22 H TYR 4 HN TYR 4 7.081 -1.088 -3.537
23 HA TYR 4 HA TYR 4 7.573 1.040 -1.743
24 HB2 TYR 4 HB2 TYR 4 5.050 -0.405 -1.221
25 HB3 TYR 4 HB1 TYR 4 5.273 1.229 -1.796
26 HD1 TYR 4 HD2 TYR 4 6.510 1.189 -4.292
27 HD2 TYR 4 HD1 TYR 4 3.750 -1.715 -2.723
28 HE1 TYR 4 HE2 TYR 4 5.911 0.507 -6.594
29 HE2 TYR 4 HE1 TYR 4 3.162 -2.385 -5.028
30 HH TYR 4 HH TYR 4 4.102 -2.318 -7.266
31 H THR 5 HN THR 5 8.455 0.927 0.301
32 HA THR 5 HA THR 5 8.190 -1.649 1.866
33 HB THR 5 HB THR 5 10.373 -1.313 2.705
34 HG1 THR 5 HG1 THR 5 11.449 0.712 2.321
35 HG21 THR 5 HG21 THR 5 10.632 -0.132 -0.059
36 HG22 THR 5 HG22 THR 5 10.223 -1.831 0.187
37 HG23 THR 5 HG23 THR 5 11.764 -1.198 0.770
38 H ALA 6 HN ALA 6 7.959 1.834 1.962
39 HA ALA 6 HA ALA 6 7.504 1.913 4.897
40 HB1 ALA 6 HB1 ALA 6 8.779 3.727 3.682
41 HB2 ALA 6 HB2 ALA 6 7.388 4.326 4.586
42 HB3 ALA 6 HB3 ALA 6 7.284 4.143 2.831
43 H1 NAL 7 H1 NAL 7 2.691 4.798 0.487
44 H3 NAL 7 H3 NAL 7 6.179 2.396 -0.203
45 H4 NAL 7 H4 NAL 7 7.342 4.323 -1.250
46 H5 NAL 7 H5 NAL 7 7.320 6.794 -1.996
47 H6 NAL 7 H6 NAL 7 6.123 8.955 -2.181
48 H7 NAL 7 H7 NAL 7 3.802 9.183 -1.332
49 H8 NAL 7 H8 NAL 7 2.652 7.250 -0.289
50 H91 NAL 7 H91 NAL 7 2.617 2.444 0.544
51 H92 NAL 7 H92 NAL 7 4.101 1.486 0.555
52 H10 NAL 7 H10 NAL 7 3.403 3.631 2.598
53 HN1 NAL 7 HN1 NAL 7 5.890 2.777 1.929
54 H ILE 8 HN ILE 8 4.276 0.181 2.436
55 HA ILE 8 HA ILE 8 2.201 -0.391 4.463
56 HB ILE 8 HB ILE 8 1.484 -2.334 2.753
57 HG12 ILE 8 HG12 ILE 8 1.384 -1.519 0.437
58 HG13 ILE 8 HG11 ILE 8 2.245 -0.049 0.878
59 HG21 ILE 8 HG21 ILE 8 -0.390 -0.957 2.014
60 HG22 ILE 8 HG22 ILE 8 0.495 0.520 2.402
61 HG23 ILE 8 HG23 ILE 8 -0.026 -0.570 3.696
62 HD11 ILE 8 HD11 ILE 8 4.271 -1.230 1.213
63 HD12 ILE 8 HD12 ILE 8 3.574 -1.928 -0.246
64 HD13 ILE 8 HD13 ILE 8 3.445 -2.795 1.271
65 H LYS 9 HN LYS 9 3.149 -1.626 5.902
66 HA LYS 9 HA LYS 9 5.516 -3.236 5.213
67 HB2 LYS 9 HB2 LYS 9 4.379 -2.297 7.854
68 HB3 LYS 9 HB1 LYS 9 5.731 -3.421 7.742
69 HG2 LYS 9 HG2 LYS 9 6.984 -1.745 6.394
70 HG3 LYS 9 HG1 LYS 9 5.654 -0.607 6.605
71 HD2 LYS 9 HD2 LYS 9 5.958 -0.621 9.018
72 HD3 LYS 9 HD1 LYS 9 7.190 -1.876 8.887
73 HE2 LYS 9 HE2 LYS 9 8.244 0.330 9.146
74 HE3 LYS 9 HE1 LYS 9 8.602 -0.339 7.554
75 HZ1 LYS 9 HZ1 LYS 9 7.764 1.516 6.712
76 HZ2 LYS 9 HZ2 LYS 9 7.206 2.040 8.229
77 HZ3 LYS 9 HZ3 LYS 9 6.236 1.032 7.266
78 H GLY 10 HN GLY 10 5.108 -5.317 4.673
79 HA2 GLY 10 HA2 GLY 10 4.546 -7.564 5.351
80 HA3 GLY 10 HA1 GLY 10 3.296 -6.931 6.413
81 H ARG 11 HN ARG 11 2.489 -5.130 3.963
82 HA ARG 11 HA ARG 11 1.099 -7.264 2.345
83 HB2 ARG 11 HB2 ARG 11 -0.177 -4.708 3.370
84 HB3 ARG 11 HB1 ARG 11 -0.965 -5.961 2.423
85 HG2 ARG 11 HG2 ARG 11 0.252 -6.467 5.160
86 HG3 ARG 11 HG1 ARG 11 -1.432 -6.019 4.930
87 HD2 ARG 11 HD2 ARG 11 -0.044 -8.530 3.951
88 HD3 ARG 11 HD1 ARG 11 -1.375 -8.411 5.094
89 HE ARG 11 HE ARG 11 -2.397 -7.265 2.788
90 HH11 ARG 11 HH21 ARG 11 -0.863 -10.245 3.623
91 HH12 ARG 11 HH22 ARG 11 -1.698 -11.163 2.415
92 HH21 ARG 11 HH11 ARG 11 -3.491 -8.450 1.211
93 HH22 ARG 11 HH12 ARG 11 -3.185 -10.147 1.051
94 H THR 12 HN THR 12 2.337 -6.925 0.489
95 HA THR 12 HA THR 12 2.437 -4.200 -0.653
96 HB THR 12 HB THR 12 3.947 -5.885 -2.328
97 HG1 THR 12 HG1 THR 12 3.888 -7.566 -0.913
98 HG21 THR 12 HG21 THR 12 5.907 -4.807 -1.290
99 HG22 THR 12 HG22 THR 12 4.906 -4.270 0.059
100 HG23 THR 12 HG23 THR 12 4.615 -3.636 -1.561
101 H PHE 13 HN PHE 13 1.966 -4.024 -2.989
102 HA PHE 13 HA PHE 13 -0.164 -5.960 -3.892
103 HB2 PHE 13 HB2 PHE 13 -0.015 -2.958 -4.292
104 HB3 PHE 13 HB1 PHE 13 -1.299 -4.018 -4.877
105 HD1 PHE 13 HD1 PHE 13 0.429 -2.826 -1.778
106 HD2 PHE 13 HD2 PHE 13 -3.094 -4.653 -3.427
107 HE1 PHE 13 HE1 PHE 13 -0.679 -2.724 0.436
108 HE2 PHE 13 HE2 PHE 13 -4.200 -4.511 -1.222
109 HZ PHE 13 HZ PHE 13 -2.984 -3.535 0.703
110 H ARG 14 HN ARG 14 0.058 -6.732 -5.947
111 HA ARG 14 HA ARG 14 2.513 -6.276 -7.395
112 HB2 ARG 14 HB2 ARG 14 -0.126 -7.535 -8.231
113 HB3 ARG 14 HB1 ARG 14 1.293 -7.488 -9.276
114 HG2 ARG 14 HG2 ARG 14 2.588 -8.761 -7.632
115 HG3 ARG 14 HG1 ARG 14 1.223 -8.751 -6.516
116 HD2 ARG 14 HD2 ARG 14 -0.122 -10.044 -8.085
117 HD3 ARG 14 HD1 ARG 14 1.166 -9.974 -9.289
118 HE ARG 14 HE ARG 14 2.376 -11.122 -7.064
119 HH11 ARG 14 HH21 ARG 14 -0.416 -11.741 -9.001
120 HH12 ARG 14 HH22 ARG 14 -0.370 -13.455 -8.749
121 HH21 ARG 14 HH11 ARG 14 2.444 -13.352 -6.728
122 HH22 ARG 14 HH12 ARG 14 1.247 -14.365 -7.462
123 H ASN 15 HN ASN 15 -0.808 -5.131 -7.717
124 HA ASN 15 HA ASN 15 0.072 -3.037 -9.686
125 HB2 ASN 15 HB2 ASN 15 -2.542 -2.751 -9.839
126 HB3 ASN 15 HB1 ASN 15 -1.765 -4.073 -10.717
127 HD21 ASN 15 HD21 ASN 15 -4.095 -4.953 -10.471
128 HD22 ASN 15 HD22 ASN 15 -4.421 -5.875 -9.082
129 H GLU 16 HN GLU 16 0.218 -1.005 -8.921
130 HA GLU 16 HA GLU 16 -0.327 -0.432 -6.180
131 HB2 GLU 16 HB2 GLU 16 0.143 1.380 -8.568
132 HB3 GLU 16 HB1 GLU 16 -0.067 2.005 -6.932
133 HG2 GLU 16 HG2 GLU 16 1.852 0.642 -6.169
134 HG3 GLU 16 HG1 GLU 16 2.077 0.046 -7.814
135 H LYS 17 HN LYS 17 -2.290 -0.511 -8.994
136 HA LYS 17 HA LYS 17 -4.335 1.292 -8.372
137 HB2 LYS 17 HB2 LYS 17 -4.041 -0.172 -10.475
138 HB3 LYS 17 HB1 LYS 17 -4.835 -1.453 -9.566
139 HG2 LYS 17 HG2 LYS 17 -6.742 0.187 -9.141
140 HG3 LYS 17 HG1 LYS 17 -5.974 1.258 -10.312
141 HD2 LYS 17 HD2 LYS 17 -6.954 -1.567 -10.839
142 HD3 LYS 17 HD1 LYS 17 -7.707 -0.079 -11.413
143 HE2 LYS 17 HE2 LYS 17 -6.448 -0.773 -13.286
144 HE3 LYS 17 HE1 LYS 17 -5.357 0.380 -12.517
145 HZ1 LYS 17 HZ1 LYS 17 -4.857 -2.271 -13.087
146 HZ2 LYS 17 HZ2 LYS 17 -5.046 -2.210 -11.399
147 HZ3 LYS 17 HZ3 LYS 17 -3.891 -1.226 -12.164
148 H GLU 18 HN GLU 18 -3.976 -2.119 -7.407
149 HA GLU 18 HA GLU 18 -6.346 -2.202 -5.825
150 HB2 GLU 18 HB2 GLU 18 -3.839 -3.891 -5.813
151 HB3 GLU 18 HB1 GLU 18 -5.255 -4.252 -4.818
152 HG2 GLU 18 HG2 GLU 18 -6.651 -4.497 -6.780
153 HG3 GLU 18 HG1 GLU 18 -5.351 -3.938 -7.831
154 H LEU 19 HN LEU 19 -3.077 -1.149 -5.168
155 HA LEU 19 HA LEU 19 -3.360 -1.101 -2.287
156 HB2 LEU 19 HB2 LEU 19 -1.144 -1.142 -3.149
157 HB3 LEU 19 HB1 LEU 19 -1.470 0.171 -4.254
158 HG LEU 19 HG LEU 19 -1.662 1.689 -2.229
159 HD11 LEU 19 HD11 LEU 19 -0.731 0.932 -0.123
160 HD12 LEU 19 HD12 LEU 19 -0.410 -0.651 -0.815
161 HD13 LEU 19 HD13 LEU 19 -2.067 -0.128 -0.558
162 HD21 LEU 19 HD21 LEU 19 0.956 0.246 -2.636
163 HD22 LEU 19 HD22 LEU 19 0.768 1.836 -1.897
164 HD23 LEU 19 HD23 LEU 19 0.369 1.602 -3.599
165 H ARG 20 HN ARG 20 -3.851 1.277 -4.891
166 HA ARG 20 HA ARG 20 -4.341 3.557 -3.276
167 HB2 ARG 20 HB2 ARG 20 -4.133 3.549 -5.781
168 HB3 ARG 20 HB1 ARG 20 -5.745 2.842 -5.866
169 HG2 ARG 20 HG2 ARG 20 -6.671 4.809 -4.684
170 HG3 ARG 20 HG1 ARG 20 -5.056 5.517 -4.607
171 HD2 ARG 20 HD2 ARG 20 -6.481 4.771 -7.175
172 HD3 ARG 20 HD1 ARG 20 -6.414 6.403 -6.507
173 HE ARG 20 HE ARG 20 -3.750 5.629 -6.658
174 HH11 ARG 20 HH21 ARG 20 -6.434 5.793 -8.827
175 HH12 ARG 20 HH22 ARG 20 -5.454 6.099 -10.222
176 HH21 ARG 20 HH11 ARG 20 -2.464 6.027 -8.468
177 HH22 ARG 20 HH12 ARG 20 -3.208 6.231 -10.019
178 H ASP 21 HN ASP 21 -6.409 0.929 -4.255
179 HA ASP 21 HA ASP 21 -8.814 1.983 -3.082
180 HB2 ASP 21 HB2 ASP 21 -8.095 -0.796 -4.043
181 HB3 ASP 21 HB1 ASP 21 -9.702 -0.332 -3.485
182 H PHE 22 HN PHE 22 -6.624 -0.696 -2.169
183 HA PHE 22 HA PHE 22 -7.881 -1.232 0.294
184 HB2 PHE 22 HB2 PHE 22 -5.188 -1.777 -0.886
185 HB3 PHE 22 HB1 PHE 22 -5.328 -1.970 0.855
186 HD1 PHE 22 HD1 PHE 22 -7.712 -2.663 -1.951
187 HD2 PHE 22 HD2 PHE 22 -5.471 -4.291 1.336
188 HE1 PHE 22 HE1 PHE 22 -8.775 -4.865 -2.312
189 HE2 PHE 22 HE2 PHE 22 -6.538 -6.487 0.971
190 HZ PHE 22 HZ PHE 22 -8.193 -6.784 -0.852
191 H ILE 23 HN ILE 23 -5.778 1.290 -0.700
192 HA ILE 23 HA ILE 23 -4.934 2.155 1.921
193 HB ILE 23 HB ILE 23 -4.952 3.262 -0.869
194 HG12 ILE 23 HG12 ILE 23 -2.836 3.143 1.317
195 HG13 ILE 23 HG11 ILE 23 -3.032 1.961 0.030
196 HG21 ILE 23 HG21 ILE 23 -4.658 4.999 1.581
197 HG22 ILE 23 HG22 ILE 23 -5.804 5.205 0.252
198 HG23 ILE 23 HG23 ILE 23 -4.099 5.489 -0.013
199 HD11 ILE 23 HD11 ILE 23 -1.263 3.447 -0.632
200 HD12 ILE 23 HD12 ILE 23 -2.243 4.864 -0.246
201 HD13 ILE 23 HD13 ILE 23 -2.669 3.842 -1.615
202 H GLU 24 HN GLU 24 -7.653 2.812 -0.186
203 HA GLU 24 HA GLU 24 -8.806 4.922 1.306
204 HB2 GLU 24 HB2 GLU 24 -10.195 2.782 -0.329
205 HB3 GLU 24 HB1 GLU 24 -11.042 4.136 0.397
206 HG2 GLU 24 HG2 GLU 24 -9.668 5.720 -0.863
207 HG3 GLU 24 HG1 GLU 24 -8.745 4.393 -1.566
208 H LYS 25 HN LYS 25 -8.720 1.486 1.847
209 HA LYS 25 HA LYS 25 -10.696 1.514 4.014
210 HB2 LYS 25 HB2 LYS 25 -8.609 -0.548 3.238
211 HB3 LYS 25 HB1 LYS 25 -9.845 -0.797 4.462
212 HG2 LYS 25 HG2 LYS 25 -10.642 0.021 1.650
213 HG3 LYS 25 HG1 LYS 25 -10.285 -1.664 2.010
214 HD2 LYS 25 HD2 LYS 25 -11.997 -1.608 3.831
215 HD3 LYS 25 HD1 LYS 25 -12.404 0.041 3.360
216 HE2 LYS 25 HE2 LYS 25 -13.943 -1.596 2.329
217 HE3 LYS 25 HE1 LYS 25 -13.010 -0.730 1.109
218 HZ1 LYS 25 HZ1 LYS 25 -11.742 -2.555 0.643
219 HZ2 LYS 25 HZ2 LYS 25 -13.212 -3.312 1.037
220 HZ3 LYS 25 HZ3 LYS 25 -11.952 -3.249 2.176
221 H PHE 26 HN PHE 26 -7.125 1.558 3.809
222 HA PHE 26 HA PHE 26 -6.759 1.474 6.690
223 HB2 PHE 26 HB2 PHE 26 -4.773 2.680 4.741
224 HB3 PHE 26 HB1 PHE 26 -4.444 1.896 6.279
225 HD1 PHE 26 HD1 PHE 26 -6.355 -0.573 5.761
226 HD2 PHE 26 HD2 PHE 26 -3.290 1.343 3.412
227 HE1 PHE 26 HE1 PHE 26 -5.932 -2.691 4.574
228 HE2 PHE 26 HE2 PHE 26 -2.882 -0.794 2.218
229 HZ PHE 26 HZ PHE 26 -4.201 -2.809 2.808
230 H11A DNS 27 H22 DNS 27 3.923 5.223 4.000
231 H12 DNS 27 H23 DNS 27 3.449 6.407 5.222
232 H13 DNS 27 H24 DNS 27 3.547 6.888 3.515
233 H21 DNS 27 H21 DNS 27 2.486 3.752 4.570
234 H22 DNS 27 H19 DNS 27 0.763 3.901 4.179
235 H23 DNS 27 H20 DNS 27 1.372 4.531 5.713
236 H4 DNS 27 H14 DNS 27 1.670 6.494 6.610
237 H5 DNS 27 H15 DNS 27 0.138 8.311 7.407
238 H6 DNS 27 H16 DNS 27 -1.341 9.514 5.781
239 HZ DNS 27 HZ1 DNS 27 -3.623 9.585 5.499
240 HE3 DNS 27 HE1 DNS 27 -5.283 9.097 3.997
241 HE2 DNS 27 HE2 DNS 27 -4.121 8.418 2.866
242 HD3 DNS 27 HD1 DNS 27 -3.699 6.548 4.399
243 HD2 DNS 27 HD2 DNS 27 -4.849 7.220 5.549
244 HG3 DNS 27 HG1 DNS 27 -5.780 6.721 2.718
245 HG2 DNS 27 HG2 DNS 27 -5.587 5.336 3.777
246 HB3 DNS 27 HB1 DNS 27 -7.188 7.751 4.671
247 HB2 DNS 27 HB2 DNS 27 -7.927 6.519 3.653
248 HA DNS 27 HA DNS 27 -6.750 6.140 6.429
249 H DNS 27 HN DNS 27 -7.453 4.040 4.421
250 H9 DNS 27 H9 DNS 27 -2.093 9.211 1.037
251 H10 DNS 27 H10 DNS 27 -0.564 7.399 0.250
252 H11 DNS 27 H11 DNS 27 0.914 6.199 1.875
253 H GLY 28 HN GLY 28 -8.276 6.931 7.777
254 HA2 GLY 28 HA2 GLY 28 -10.919 7.605 7.101
255 HA3 GLY 28 HA1 GLY 28 -10.984 5.961 7.740
256 H ARG 29 HN ARG 29 -8.927 8.698 8.678
257 HA ARG 29 HA ARG 29 -9.329 8.171 11.498
258 HB2 ARG 29 HB2 ARG 29 -7.984 10.171 11.871
259 HB3 ARG 29 HB1 ARG 29 -7.259 9.214 10.580
260 HG2 ARG 29 HG2 ARG 29 -8.508 10.702 8.928
261 HG3 ARG 29 HG1 ARG 29 -8.925 11.735 10.294
262 HD2 ARG 29 HD2 ARG 29 -6.135 11.052 9.328
263 HD3 ARG 29 HD1 ARG 29 -6.928 12.625 9.239
264 HE ARG 29 HE ARG 29 -6.973 12.015 11.945
265 HH11 ARG 29 HH21 ARG 29 -4.572 12.182 9.467
266 HH12 ARG 29 HH22 ARG 29 -3.302 12.649 10.548
267 HH21 ARG 29 HH11 ARG 29 -5.326 12.624 13.363
268 HH22 ARG 29 HH12 ARG 29 -3.729 12.898 12.751
Start of MODEL 10
1 H1 GLY 1 HT1 GLY 1 13.243 2.112 -9.676
2 H2 GLY 1 HT2 GLY 1 12.508 2.058 -8.145
3 H3 GLY 1 HT3 GLY 1 11.556 2.233 -9.541
4 HA2 GLY 1 HA2 GLY 1 11.603 0.047 -10.172
5 HA3 GLY 1 HA1 GLY 1 13.167 -0.151 -9.325
6 H GLN 2 HN GLN 2 13.046 0.865 -6.917
7 HA GLN 2 HA GLN 2 13.000 -1.772 -5.773
8 HB2 GLN 2 HB2 GLN 2 13.186 -0.564 -3.591
9 HB3 GLN 2 HB1 GLN 2 14.370 -0.016 -4.777
10 HG2 GLN 2 HG2 GLN 2 12.843 1.876 -5.365
11 HG3 GLN 2 HG1 GLN 2 11.758 1.359 -4.075
12 HE21 GLN 2 HE21 GLN 2 13.722 3.798 -4.496
13 HE22 GLN 2 HE22 GLN 2 14.526 3.881 -3.003
14 H GLN 3 HN GLN 3 11.402 -2.783 -4.524
15 HA GLN 3 HA GLN 3 8.666 -2.033 -5.080
16 HB2 GLN 3 HB2 GLN 3 9.642 -3.985 -2.975
17 HB3 GLN 3 HB1 GLN 3 8.041 -3.925 -3.715
18 HG2 GLN 3 HG2 GLN 3 10.620 -4.464 -5.222
19 HG3 GLN 3 HG1 GLN 3 9.477 -5.702 -4.709
20 HE21 GLN 3 HE21 GLN 3 10.178 -5.001 -7.511
21 HE22 GLN 3 HE22 GLN 3 8.732 -4.509 -8.250
22 H TYR 4 HN TYR 4 7.121 -1.218 -3.644
23 HA TYR 4 HA TYR 4 8.005 0.762 -1.820
24 HB2 TYR 4 HB2 TYR 4 5.215 0.062 -1.313
25 HB3 TYR 4 HB1 TYR 4 5.847 1.487 -2.117
26 HD1 TYR 4 HD2 TYR 4 6.851 0.997 -4.562
27 HD2 TYR 4 HD1 TYR 4 3.770 -1.300 -2.632
28 HE1 TYR 4 HE2 TYR 4 6.077 0.173 -6.765
29 HE2 TYR 4 HE1 TYR 4 3.007 -2.114 -4.833
30 HH TYR 4 HH TYR 4 3.394 -2.156 -7.018
31 H THR 5 HN THR 5 8.734 0.468 0.259
32 HA THR 5 HA THR 5 7.902 -2.027 1.756
33 HB THR 5 HB THR 5 10.077 -2.156 2.656
34 HG1 THR 5 HG1 THR 5 10.328 -0.046 3.301
35 HG21 THR 5 HG21 THR 5 11.540 -2.241 0.776
36 HG22 THR 5 HG22 THR 5 10.686 -0.928 -0.031
37 HG23 THR 5 HG23 THR 5 9.931 -2.517 0.101
38 H ALA 6 HN ALA 6 8.374 1.433 1.942
39 HA ALA 6 HA ALA 6 7.912 1.586 4.847
40 HB1 ALA 6 HB1 ALA 6 8.020 3.998 4.507
41 HB2 ALA 6 HB2 ALA 6 7.842 3.808 2.759
42 HB3 ALA 6 HB3 ALA 6 9.317 3.260 3.568
43 H1 NAL 7 H1 NAL 7 3.302 4.952 0.506
44 H3 NAL 7 H3 NAL 7 6.612 2.299 -0.143
45 H4 NAL 7 H4 NAL 7 7.934 4.143 -1.152
46 H5 NAL 7 H5 NAL 7 8.109 6.611 -1.883
47 H6 NAL 7 H6 NAL 7 7.080 8.855 -2.076
48 H7 NAL 7 H7 NAL 7 4.768 9.253 -1.264
49 H8 NAL 7 H8 NAL 7 3.460 7.407 -0.251
50 H91 NAL 7 H91 NAL 7 3.049 2.623 0.568
51 H92 NAL 7 H92 NAL 7 4.451 1.550 0.554
52 H10 NAL 7 H10 NAL 7 3.933 3.689 2.652
53 HN1 NAL 7 HN1 NAL 7 6.332 2.647 1.934
54 H ILE 8 HN ILE 8 4.545 0.195 2.406
55 HA ILE 8 HA ILE 8 2.374 -0.283 4.384
56 HB ILE 8 HB ILE 8 1.596 -2.143 2.608
57 HG12 ILE 8 HG12 ILE 8 1.649 -1.289 0.306
58 HG13 ILE 8 HG11 ILE 8 2.570 0.121 0.808
59 HG21 ILE 8 HG21 ILE 8 -0.144 -0.615 1.821
60 HG22 ILE 8 HG22 ILE 8 0.825 0.780 2.300
61 HG23 ILE 8 HG23 ILE 8 0.170 -0.312 3.530
62 HD11 ILE 8 HD11 ILE 8 3.934 -1.669 -0.289
63 HD12 ILE 8 HD12 ILE 8 3.550 -2.741 1.043
64 HD13 ILE 8 HD13 ILE 8 4.493 -1.270 1.326
65 H LYS 9 HN LYS 9 3.644 -1.243 5.872
66 HA LYS 9 HA LYS 9 5.738 -3.110 5.158
67 HB2 LYS 9 HB2 LYS 9 5.897 -1.581 7.136
68 HB3 LYS 9 HB1 LYS 9 4.623 -2.527 7.911
69 HG2 LYS 9 HG2 LYS 9 6.007 -4.528 7.848
70 HG3 LYS 9 HG1 LYS 9 7.253 -3.678 6.933
71 HD2 LYS 9 HD2 LYS 9 7.617 -2.143 8.813
72 HD3 LYS 9 HD1 LYS 9 6.337 -2.940 9.728
73 HE2 LYS 9 HE2 LYS 9 7.619 -5.071 9.612
74 HE3 LYS 9 HE1 LYS 9 8.920 -4.217 8.781
75 HZ1 LYS 9 HZ1 LYS 9 8.228 -4.236 11.570
76 HZ2 LYS 9 HZ2 LYS 9 8.451 -2.670 10.952
77 HZ3 LYS 9 HZ3 LYS 9 9.692 -3.822 10.820
78 H GLY 10 HN GLY 10 5.352 -5.207 4.672
79 HA2 GLY 10 HA2 GLY 10 4.680 -7.426 5.279
80 HA3 GLY 10 HA1 GLY 10 3.433 -6.765 6.326
81 H ARG 11 HN ARG 11 2.671 -4.954 3.855
82 HA ARG 11 HA ARG 11 1.283 -7.091 2.241
83 HB2 ARG 11 HB2 ARG 11 -0.010 -4.554 3.294
84 HB3 ARG 11 HB1 ARG 11 -0.773 -5.777 2.285
85 HG2 ARG 11 HG2 ARG 11 -1.516 -6.574 4.339
86 HG3 ARG 11 HG1 ARG 11 0.042 -7.394 4.325
87 HD2 ARG 11 HD2 ARG 11 -0.254 -6.300 6.474
88 HD3 ARG 11 HD1 ARG 11 1.004 -5.439 5.591
89 HE ARG 11 HE ARG 11 -1.326 -4.081 4.929
90 HH11 ARG 11 HH21 ARG 11 0.284 -5.025 7.835
91 HH12 ARG 11 HH22 ARG 11 -0.296 -3.674 8.749
92 HH21 ARG 11 HH11 ARG 11 -2.088 -2.316 6.111
93 HH22 ARG 11 HH12 ARG 11 -1.638 -2.141 7.774
94 H THR 12 HN THR 12 2.492 -6.751 0.362
95 HA THR 12 HA THR 12 2.589 -4.023 -0.772
96 HB THR 12 HB THR 12 4.040 -5.699 -2.498
97 HG1 THR 12 HG1 THR 12 4.204 -6.558 0.185
98 HG21 THR 12 HG21 THR 12 6.031 -4.665 -1.511
99 HG22 THR 12 HG22 THR 12 5.103 -4.185 -0.090
100 HG23 THR 12 HG23 THR 12 4.742 -3.469 -1.661
101 H PHE 13 HN PHE 13 2.053 -3.833 -3.107
102 HA PHE 13 HA PHE 13 -0.067 -5.791 -3.980
103 HB2 PHE 13 HB2 PHE 13 -0.094 -2.776 -4.306
104 HB3 PHE 13 HB1 PHE 13 -1.371 -3.896 -4.784
105 HD1 PHE 13 HD1 PHE 13 0.559 -2.620 -1.847
106 HD2 PHE 13 HD2 PHE 13 -2.999 -4.624 -3.187
107 HE1 PHE 13 HE1 PHE 13 -0.354 -2.576 0.461
108 HE2 PHE 13 HE2 PHE 13 -3.912 -4.541 -0.888
109 HZ PHE 13 HZ PHE 13 -2.582 -3.505 0.928
110 H ARG 14 HN ARG 14 0.150 -6.493 -6.054
111 HA ARG 14 HA ARG 14 2.486 -5.802 -7.602
112 HB2 ARG 14 HB2 ARG 14 1.230 -7.978 -7.863
113 HB3 ARG 14 HB1 ARG 14 -0.084 -7.079 -8.625
114 HG2 ARG 14 HG2 ARG 14 1.461 -6.311 -10.392
115 HG3 ARG 14 HG1 ARG 14 2.778 -7.203 -9.630
116 HD2 ARG 14 HD2 ARG 14 1.839 -8.525 -11.461
117 HD3 ARG 14 HD1 ARG 14 1.484 -9.307 -9.921
118 HE ARG 14 HE ARG 14 -0.736 -7.705 -10.385
119 HH11 ARG 14 HH21 ARG 14 0.994 -10.143 -12.116
120 HH12 ARG 14 HH22 ARG 14 -0.403 -10.713 -12.966
121 HH21 ARG 14 HH11 ARG 14 -2.562 -8.439 -11.488
122 HH22 ARG 14 HH12 ARG 14 -2.414 -9.749 -12.611
123 H ASN 15 HN ASN 15 -0.904 -4.844 -7.684
124 HA ASN 15 HA ASN 15 -0.305 -2.690 -9.689
125 HB2 ASN 15 HB2 ASN 15 -2.972 -2.544 -9.482
126 HB3 ASN 15 HB1 ASN 15 -2.215 -3.736 -10.545
127 HD21 ASN 15 HD21 ASN 15 -4.115 -5.158 -10.235
128 HD22 ASN 15 HD22 ASN 15 -4.297 -6.041 -8.797
129 H GLU 16 HN GLU 16 -0.146 -0.658 -8.918
130 HA GLU 16 HA GLU 16 -0.431 -0.123 -6.125
131 HB2 GLU 16 HB2 GLU 16 -0.166 1.680 -8.547
132 HB3 GLU 16 HB1 GLU 16 -0.296 2.338 -6.916
133 HG2 GLU 16 HG2 GLU 16 1.787 0.271 -7.691
134 HG3 GLU 16 HG1 GLU 16 2.085 2.006 -7.780
135 H LYS 17 HN LYS 17 -2.702 -0.183 -8.729
136 HA LYS 17 HA LYS 17 -4.626 1.610 -7.691
137 HB2 LYS 17 HB2 LYS 17 -4.524 -0.468 -9.771
138 HB3 LYS 17 HB1 LYS 17 -6.090 -0.469 -8.973
139 HG2 LYS 17 HG2 LYS 17 -6.270 1.034 -10.830
140 HG3 LYS 17 HG1 LYS 17 -6.190 2.040 -9.384
141 HD2 LYS 17 HD2 LYS 17 -3.701 2.265 -9.783
142 HD3 LYS 17 HD1 LYS 17 -3.929 1.427 -11.316
143 HE2 LYS 17 HE2 LYS 17 -5.186 4.057 -10.489
144 HE3 LYS 17 HE1 LYS 17 -3.960 3.817 -11.734
145 HZ1 LYS 17 HZ1 LYS 17 -5.500 2.536 -13.019
146 HZ2 LYS 17 HZ2 LYS 17 -6.234 4.017 -12.624
147 HZ3 LYS 17 HZ3 LYS 17 -6.668 2.602 -11.790
148 H GLU 18 HN GLU 18 -4.226 -1.905 -7.213
149 HA GLU 18 HA GLU 18 -6.401 -2.243 -5.449
150 HB2 GLU 18 HB2 GLU 18 -3.767 -3.716 -5.661
151 HB3 GLU 18 HB1 GLU 18 -5.077 -4.231 -4.594
152 HG2 GLU 18 HG2 GLU 18 -6.593 -4.425 -6.516
153 HG3 GLU 18 HG1 GLU 18 -5.311 -3.880 -7.597
154 H LEU 19 HN LEU 19 -3.182 -0.987 -4.959
155 HA LEU 19 HA LEU 19 -3.328 -0.990 -2.050
156 HB2 LEU 19 HB2 LEU 19 -1.145 -0.987 -2.986
157 HB3 LEU 19 HB1 LEU 19 -1.532 0.305 -4.090
158 HG LEU 19 HG LEU 19 -1.687 1.841 -2.076
159 HD11 LEU 19 HD11 LEU 19 -0.680 1.129 0.007
160 HD12 LEU 19 HD12 LEU 19 -0.352 -0.457 -0.670
161 HD13 LEU 19 HD13 LEU 19 -2.011 0.042 -0.373
162 HD21 LEU 19 HD21 LEU 19 0.943 0.441 -2.546
163 HD22 LEU 19 HD22 LEU 19 0.749 2.037 -1.821
164 HD23 LEU 19 HD23 LEU 19 0.303 1.774 -3.507
165 H ARG 20 HN ARG 20 -4.026 1.321 -4.650
166 HA ARG 20 HA ARG 20 -4.507 3.609 -3.027
167 HB2 ARG 20 HB2 ARG 20 -4.449 3.244 -5.673
168 HB3 ARG 20 HB1 ARG 20 -6.189 3.088 -5.483
169 HG2 ARG 20 HG2 ARG 20 -4.464 5.464 -4.705
170 HG3 ARG 20 HG1 ARG 20 -5.678 5.405 -5.979
171 HD2 ARG 20 HD2 ARG 20 -7.362 4.823 -4.090
172 HD3 ARG 20 HD1 ARG 20 -6.107 5.396 -2.987
173 HE ARG 20 HE ARG 20 -6.335 7.433 -4.859
174 HH11 ARG 20 HH21 ARG 20 -8.474 5.703 -2.770
175 HH12 ARG 20 HH22 ARG 20 -9.555 7.039 -2.557
176 HH21 ARG 20 HH11 ARG 20 -7.736 9.180 -4.588
177 HH22 ARG 20 HH12 ARG 20 -9.138 9.006 -3.586
178 H ASP 21 HN ASP 21 -6.522 0.924 -3.971
179 HA ASP 21 HA ASP 21 -8.919 1.881 -2.714
180 HB2 ASP 21 HB2 ASP 21 -9.010 0.282 -4.581
181 HB3 ASP 21 HB1 ASP 21 -8.176 -0.918 -3.595
182 H PHE 22 HN PHE 22 -6.586 -0.689 -1.851
183 HA PHE 22 HA PHE 22 -7.764 -1.258 0.651
184 HB2 PHE 22 HB2 PHE 22 -5.085 -1.732 -0.598
185 HB3 PHE 22 HB1 PHE 22 -5.192 -1.939 1.143
186 HD1 PHE 22 HD1 PHE 22 -7.641 -2.677 -1.601
187 HD2 PHE 22 HD2 PHE 22 -5.225 -4.273 1.577
188 HE1 PHE 22 HE1 PHE 22 -8.640 -4.909 -1.955
189 HE2 PHE 22 HE2 PHE 22 -6.229 -6.497 1.219
190 HZ PHE 22 HZ PHE 22 -7.938 -6.825 -0.547
191 H ILE 23 HN ILE 23 -5.746 1.316 -0.421
192 HA ILE 23 HA ILE 23 -4.809 2.199 2.155
193 HB ILE 23 HB ILE 23 -5.010 3.320 -0.615
194 HG12 ILE 23 HG12 ILE 23 -2.802 3.379 1.482
195 HG13 ILE 23 HG11 ILE 23 -2.982 2.136 0.251
196 HG21 ILE 23 HG21 ILE 23 -4.236 5.601 0.253
197 HG22 ILE 23 HG22 ILE 23 -4.821 5.079 1.829
198 HG23 ILE 23 HG23 ILE 23 -5.937 5.218 0.469
199 HD11 ILE 23 HD11 ILE 23 -2.446 5.077 -0.227
200 HD12 ILE 23 HD12 ILE 23 -2.745 3.900 -1.495
201 HD13 ILE 23 HD13 ILE 23 -1.316 3.748 -0.483
202 H GLU 24 HN GLU 24 -7.650 2.774 0.210
203 HA GLU 24 HA GLU 24 -8.815 4.773 1.865
204 HB2 GLU 24 HB2 GLU 24 -10.162 2.727 0.082
205 HB3 GLU 24 HB1 GLU 24 -11.033 4.009 0.905
206 HG2 GLU 24 HG2 GLU 24 -8.700 4.531 -0.964
207 HG3 GLU 24 HG1 GLU 24 -10.382 4.536 -1.488
208 H LYS 25 HN LYS 25 -8.538 1.325 2.179
209 HA LYS 25 HA LYS 25 -10.552 1.053 4.274
210 HB2 LYS 25 HB2 LYS 25 -9.707 -0.824 2.755
211 HB3 LYS 25 HB1 LYS 25 -8.227 -0.812 3.706
212 HG2 LYS 25 HG2 LYS 25 -9.462 -2.477 4.817
213 HG3 LYS 25 HG1 LYS 25 -9.866 -1.060 5.778
214 HD2 LYS 25 HD2 LYS 25 -11.976 -0.798 4.539
215 HD3 LYS 25 HD1 LYS 25 -11.549 -2.152 3.495
216 HE2 LYS 25 HE2 LYS 25 -13.070 -2.920 5.245
217 HE3 LYS 25 HE1 LYS 25 -11.474 -3.628 5.498
218 HZ1 LYS 25 HZ1 LYS 25 -12.499 -2.706 7.536
219 HZ2 LYS 25 HZ2 LYS 25 -12.430 -1.159 6.838
220 HZ3 LYS 25 HZ3 LYS 25 -10.997 -2.011 7.165
221 H PHE 26 HN PHE 26 -6.961 1.217 4.252
222 HA PHE 26 HA PHE 26 -6.696 1.086 7.111
223 HB2 PHE 26 HB2 PHE 26 -4.781 2.646 5.350
224 HB3 PHE 26 HB1 PHE 26 -4.423 1.731 6.810
225 HD1 PHE 26 HD1 PHE 26 -5.978 -0.844 6.088
226 HD2 PHE 26 HD2 PHE 26 -3.254 1.615 3.828
227 HE1 PHE 26 HE1 PHE 26 -5.352 -2.794 4.711
228 HE2 PHE 26 HE2 PHE 26 -2.641 -0.353 2.443
229 HZ PHE 26 HZ PHE 26 -3.685 -2.556 2.896
230 H11A DNS 27 H22 DNS 27 4.036 3.602 5.133
231 H12 DNS 27 H23 DNS 27 5.445 4.346 5.897
232 H13 DNS 27 H24 DNS 27 5.059 4.714 4.204
233 H21 DNS 27 H21 DNS 27 3.888 7.770 5.635
234 H22 DNS 27 H19 DNS 27 4.569 6.996 4.192
235 H23 DNS 27 H20 DNS 27 5.464 6.953 5.715
236 H4 DNS 27 H14 DNS 27 3.150 5.702 2.997
237 H5 DNS 27 H15 DNS 27 0.799 5.555 2.141
238 H6 DNS 27 H16 DNS 27 -1.115 5.355 3.744
239 HZ DNS 27 HZ1 DNS 27 -1.432 6.850 5.049
240 HE3 DNS 27 HE1 DNS 27 -2.699 7.608 3.350
241 HE2 DNS 27 HE2 DNS 27 -3.184 5.925 3.376
242 HD3 DNS 27 HD1 DNS 27 -4.602 8.231 4.737
243 HD2 DNS 27 HD2 DNS 27 -5.153 7.342 3.317
244 HG3 DNS 27 HG1 DNS 27 -5.068 5.237 4.816
245 HG2 DNS 27 HG2 DNS 27 -4.930 6.351 6.176
246 HB3 DNS 27 HB1 DNS 27 -7.036 7.464 5.426
247 HB2 DNS 27 HB2 DNS 27 -7.200 6.243 4.163
248 HA DNS 27 HA DNS 27 -7.127 5.735 7.158
249 H DNS 27 HN DNS 27 -7.006 3.822 4.872
250 H9 DNS 27 H9 DNS 27 -1.491 5.167 8.548
251 H10 DNS 27 H10 DNS 27 0.855 5.321 9.387
252 H11 DNS 27 H11 DNS 27 2.761 5.516 7.778
253 H GLY 28 HN GLY 28 -8.874 7.490 5.389
254 HA2 GLY 28 HA2 GLY 28 -11.405 6.153 5.054
255 HA3 GLY 28 HA1 GLY 28 -11.358 7.016 6.591
256 H ARG 29 HN ARG 29 -9.846 9.230 5.900
257 HA ARG 29 HA ARG 29 -10.997 10.515 3.513
258 HB2 ARG 29 HB2 ARG 29 -12.018 12.372 4.877
259 HB3 ARG 29 HB1 ARG 29 -12.851 10.827 5.047
260 HG2 ARG 29 HG2 ARG 29 -11.622 10.389 7.144
261 HG3 ARG 29 HG1 ARG 29 -10.790 11.935 6.980
262 HD2 ARG 29 HD2 ARG 29 -12.991 13.092 7.031
263 HD3 ARG 29 HD1 ARG 29 -13.778 11.536 7.291
264 HE ARG 29 HE ARG 29 -11.882 11.676 9.315
265 HH11 ARG 29 HH21 ARG 29 -14.464 13.660 8.164
266 HH12 ARG 29 HH22 ARG 29 -14.811 14.335 9.721
267 HH21 ARG 29 HH11 ARG 29 -12.325 12.547 11.348
268 HH22 ARG 29 HH12 ARG 29 -13.602 13.705 11.522
Start of MODEL 11
1 H1 GLY 1 HT1 GLY 1 9.648 1.695 -12.078
2 H2 GLY 1 HT2 GLY 1 8.962 2.092 -10.576
3 H3 GLY 1 HT3 GLY 1 8.633 0.586 -11.288
4 HA2 GLY 1 HA2 GLY 1 10.747 -0.336 -10.906
5 HA3 GLY 1 HA1 GLY 1 11.343 1.303 -10.507
6 H GLN 2 HN GLN 2 9.644 2.593 -9.011
7 HA GLN 2 HA GLN 2 11.341 2.219 -6.709
8 HB2 GLN 2 HB2 GLN 2 8.689 3.674 -6.959
9 HB3 GLN 2 HB1 GLN 2 9.815 3.827 -5.611
10 HG2 GLN 2 HG2 GLN 2 11.547 4.683 -7.128
11 HG3 GLN 2 HG1 GLN 2 10.454 4.493 -8.499
12 HE21 GLN 2 HE21 GLN 2 10.427 6.068 -5.242
13 HE22 GLN 2 HE22 GLN 2 9.613 7.462 -5.768
14 H GLN 3 HN GLN 3 11.179 0.140 -5.856
15 HA GLN 3 HA GLN 3 8.651 -1.220 -5.471
16 HB2 GLN 3 HB2 GLN 3 11.351 -1.711 -4.175
17 HB3 GLN 3 HB1 GLN 3 9.983 -2.824 -4.147
18 HG2 GLN 3 HG2 GLN 3 10.031 -2.924 -6.624
19 HG3 GLN 3 HG1 GLN 3 11.433 -1.853 -6.629
20 HE21 GLN 3 HE21 GLN 3 12.692 -3.050 -4.246
21 HE22 GLN 3 HE22 GLN 3 13.256 -4.581 -4.712
22 H TYR 4 HN TYR 4 7.225 -0.915 -3.835
23 HA TYR 4 HA TYR 4 7.591 1.104 -1.886
24 HB2 TYR 4 HB2 TYR 4 5.489 -0.515 -0.908
25 HB3 TYR 4 HB1 TYR 4 5.305 0.874 -1.966
26 HD1 TYR 4 HD1 TYR 4 6.526 -2.672 -2.381
27 HD2 TYR 4 HD2 TYR 4 3.903 0.423 -3.826
28 HE1 TYR 4 HE1 TYR 4 5.757 -4.164 -4.197
29 HE2 TYR 4 HE2 TYR 4 3.140 -1.082 -5.637
30 HH TYR 4 HH TYR 4 4.312 -3.204 -6.876
31 H THR 5 HN THR 5 8.723 1.028 0.001
32 HA THR 5 HA THR 5 9.302 -1.657 1.264
33 HB THR 5 HB THR 5 11.434 -0.830 1.903
34 HG1 THR 5 HG1 THR 5 10.734 1.722 0.934
35 HG21 THR 5 HG21 THR 5 12.490 -0.306 -0.174
36 HG22 THR 5 HG22 THR 5 11.033 0.466 -0.791
37 HG23 THR 5 HG23 THR 5 11.088 -1.289 -0.604
38 H ALA 6 HN ALA 6 8.223 1.619 1.777
39 HA ALA 6 HA ALA 6 8.010 1.187 4.748
40 HB1 ALA 6 HB1 ALA 6 7.840 3.777 3.161
41 HB2 ALA 6 HB2 ALA 6 9.317 3.177 3.927
42 HB3 ALA 6 HB3 ALA 6 7.923 3.609 4.918
43 H1 NAL 7 H1 NAL 7 3.266 4.764 0.957
44 H3 NAL 7 H3 NAL 7 6.314 2.145 -0.539
45 H4 NAL 7 H4 NAL 7 7.440 4.038 -1.676
46 H5 NAL 7 H5 NAL 7 7.526 6.558 -2.232
47 H6 NAL 7 H6 NAL 7 6.537 8.820 -2.031
48 H7 NAL 7 H7 NAL 7 4.453 9.169 -0.728
49 H8 NAL 7 H8 NAL 7 3.335 7.254 0.385
50 H91 NAL 7 H91 NAL 7 2.961 2.361 0.701
51 H92 NAL 7 H92 NAL 7 4.391 1.337 0.568
52 H10 NAL 7 H10 NAL 7 3.934 3.400 2.757
53 HN1 NAL 7 HN1 NAL 7 6.353 2.547 1.964
54 H ILE 8 HN ILE 8 4.532 -0.073 2.276
55 HA ILE 8 HA ILE 8 2.547 -0.666 4.405
56 HB ILE 8 HB ILE 8 1.576 -2.385 2.572
57 HG12 ILE 8 HG12 ILE 8 1.390 -1.323 0.358
58 HG13 ILE 8 HG11 ILE 8 2.402 0.015 0.882
59 HG21 ILE 8 HG21 ILE 8 0.794 0.549 2.582
60 HG22 ILE 8 HG22 ILE 8 0.266 -0.637 3.786
61 HG23 ILE 8 HG23 ILE 8 -0.226 -0.809 2.101
62 HD11 ILE 8 HD11 ILE 8 4.333 -1.392 1.006
63 HD12 ILE 8 HD12 ILE 8 3.531 -1.784 -0.512
64 HD13 ILE 8 HD13 ILE 8 3.353 -2.852 0.868
65 H LYS 9 HN LYS 9 3.740 -1.891 5.708
66 HA LYS 9 HA LYS 9 5.754 -3.741 4.652
67 HB2 LYS 9 HB2 LYS 9 6.267 -2.244 6.594
68 HB3 LYS 9 HB1 LYS 9 5.074 -3.138 7.537
69 HG2 LYS 9 HG2 LYS 9 6.333 -5.202 7.268
70 HG3 LYS 9 HG1 LYS 9 7.473 -4.407 6.183
71 HD2 LYS 9 HD2 LYS 9 8.113 -2.865 8.029
72 HD3 LYS 9 HD1 LYS 9 7.033 -3.748 9.109
73 HE2 LYS 9 HE2 LYS 9 8.316 -5.822 8.689
74 HE3 LYS 9 HE1 LYS 9 9.408 -4.924 7.635
75 HZ1 LYS 9 HZ1 LYS 9 10.573 -4.409 9.429
76 HZ2 LYS 9 HZ2 LYS 9 9.425 -5.127 10.456
77 HZ3 LYS 9 HZ3 LYS 9 9.260 -3.499 9.998
78 H GLY 10 HN GLY 10 5.585 -5.943 4.718
79 HA2 GLY 10 HA2 GLY 10 4.758 -8.076 5.280
80 HA3 GLY 10 HA1 GLY 10 3.639 -7.320 6.407
81 H ARG 11 HN ARG 11 2.742 -5.530 4.024
82 HA ARG 11 HA ARG 11 1.150 -7.583 2.497
83 HB2 ARG 11 HB2 ARG 11 0.074 -5.046 3.771
84 HB3 ARG 11 HB1 ARG 11 -0.841 -6.139 2.733
85 HG2 ARG 11 HG2 ARG 11 -0.436 -7.976 4.348
86 HG3 ARG 11 HG1 ARG 11 0.408 -6.850 5.405
87 HD2 ARG 11 HD2 ARG 11 -1.808 -5.433 5.239
88 HD3 ARG 11 HD1 ARG 11 -2.540 -6.955 4.739
89 HE ARG 11 HE ARG 11 -1.892 -6.187 7.413
90 HH11 ARG 11 HH21 ARG 11 -1.604 -8.901 5.294
91 HH12 ARG 11 HH22 ARG 11 -1.293 -10.020 6.575
92 HH21 ARG 11 HH11 ARG 11 -1.514 -7.639 9.076
93 HH22 ARG 11 HH12 ARG 11 -1.251 -9.311 8.710
94 H THR 12 HN THR 12 2.270 -7.217 0.546
95 HA THR 12 HA THR 12 2.334 -4.452 -0.505
96 HB THR 12 HB THR 12 3.822 -5.963 -2.295
97 HG1 THR 12 HG1 THR 12 4.404 -7.709 -1.339
98 HG21 THR 12 HG21 THR 12 4.827 -4.649 0.252
99 HG22 THR 12 HG22 THR 12 4.520 -3.826 -1.276
100 HG23 THR 12 HG23 THR 12 5.806 -5.030 -1.166
101 H PHE 13 HN PHE 13 1.793 -4.157 -2.760
102 HA PHE 13 HA PHE 13 -0.358 -6.034 -3.709
103 HB2 PHE 13 HB2 PHE 13 -0.164 -3.029 -4.069
104 HB3 PHE 13 HB1 PHE 13 -1.508 -4.062 -4.561
105 HD1 PHE 13 HD1 PHE 13 0.417 -2.822 -1.608
106 HD2 PHE 13 HD2 PHE 13 -3.189 -4.721 -2.978
107 HE1 PHE 13 HE1 PHE 13 -0.521 -2.723 0.684
108 HE2 PHE 13 HE2 PHE 13 -4.133 -4.570 -0.697
109 HZ PHE 13 HZ PHE 13 -2.792 -3.559 1.126
110 H ARG 14 HN ARG 14 -0.098 -6.799 -5.753
111 HA ARG 14 HA ARG 14 2.329 -6.351 -7.211
112 HB2 ARG 14 HB2 ARG 14 -0.356 -7.520 -8.026
113 HB3 ARG 14 HB1 ARG 14 0.990 -7.402 -9.156
114 HG2 ARG 14 HG2 ARG 14 0.906 -9.627 -8.075
115 HG3 ARG 14 HG1 ARG 14 2.393 -8.769 -7.682
116 HD2 ARG 14 HD2 ARG 14 1.659 -8.283 -5.473
117 HD3 ARG 14 HD1 ARG 14 -0.027 -8.639 -5.863
118 HE ARG 14 HE ARG 14 1.289 -11.040 -6.316
119 HH11 ARG 14 HH21 ARG 14 1.017 -8.784 -3.715
120 HH12 ARG 14 HH22 ARG 14 1.206 -9.987 -2.481
121 HH21 ARG 14 HH11 ARG 14 1.535 -12.614 -4.719
122 HH22 ARG 14 HH12 ARG 14 1.499 -12.152 -3.049
123 H ASN 15 HN ASN 15 -0.948 -5.060 -7.516
124 HA ASN 15 HA ASN 15 0.045 -2.940 -9.404
125 HB2 ASN 15 HB2 ASN 15 -2.593 -2.565 -9.543
126 HB3 ASN 15 HB1 ASN 15 -1.803 -3.790 -10.536
127 HD21 ASN 15 HD21 ASN 15 -4.059 -4.765 -10.476
128 HD22 ASN 15 HD22 ASN 15 -4.446 -5.788 -9.179
129 H GLU 16 HN GLU 16 0.240 -0.942 -8.610
130 HA GLU 16 HA GLU 16 -0.265 -0.354 -5.876
131 HB2 GLU 16 HB2 GLU 16 1.255 0.864 -7.656
132 HB3 GLU 16 HB1 GLU 16 -0.195 1.783 -8.036
133 HG2 GLU 16 HG2 GLU 16 1.034 1.558 -5.275
134 HG3 GLU 16 HG1 GLU 16 1.264 2.919 -6.367
135 H LYS 17 HN LYS 17 -2.262 -0.365 -8.673
136 HA LYS 17 HA LYS 17 -4.318 1.397 -8.018
137 HB2 LYS 17 HB2 LYS 17 -4.095 0.009 -10.136
138 HB3 LYS 17 HB1 LYS 17 -4.718 -1.357 -9.219
139 HG2 LYS 17 HG2 LYS 17 -6.809 -0.203 -8.786
140 HG3 LYS 17 HG1 LYS 17 -6.186 1.287 -9.481
141 HD2 LYS 17 HD2 LYS 17 -7.557 0.334 -11.185
142 HD3 LYS 17 HD1 LYS 17 -5.903 -0.002 -11.681
143 HE2 LYS 17 HE2 LYS 17 -6.069 -2.295 -10.994
144 HE3 LYS 17 HE1 LYS 17 -7.566 -1.997 -10.110
145 HZ1 LYS 17 HZ1 LYS 17 -8.689 -1.545 -12.161
146 HZ2 LYS 17 HZ2 LYS 17 -7.918 -3.053 -12.281
147 HZ3 LYS 17 HZ3 LYS 17 -7.249 -1.692 -13.044
148 H GLU 18 HN GLU 18 -3.944 -2.019 -7.056
149 HA GLU 18 HA GLU 18 -6.298 -2.097 -5.452
150 HB2 GLU 18 HB2 GLU 18 -3.793 -3.776 -5.390
151 HB3 GLU 18 HB1 GLU 18 -5.239 -4.138 -4.447
152 HG2 GLU 18 HG2 GLU 18 -5.242 -3.830 -7.464
153 HG3 GLU 18 HG1 GLU 18 -5.074 -5.382 -6.644
154 H LEU 19 HN LEU 19 -2.974 -1.141 -4.783
155 HA LEU 19 HA LEU 19 -3.331 -1.020 -1.923
156 HB2 LEU 19 HB2 LEU 19 -1.078 -1.059 -2.693
157 HB3 LEU 19 HB1 LEU 19 -1.356 0.236 -3.832
158 HG LEU 19 HG LEU 19 -1.576 1.821 -1.935
159 HD11 LEU 19 HD11 LEU 19 -0.780 -0.526 -0.223
160 HD12 LEU 19 HD12 LEU 19 -2.364 0.228 -0.197
161 HD13 LEU 19 HD13 LEU 19 -0.951 1.129 0.328
162 HD21 LEU 19 HD21 LEU 19 0.929 0.140 -1.984
163 HD22 LEU 19 HD22 LEU 19 0.816 1.722 -1.208
164 HD23 LEU 19 HD23 LEU 19 0.598 1.576 -2.949
165 H ARG 20 HN ARG 20 -3.931 1.175 -4.611
166 HA ARG 20 HA ARG 20 -4.421 3.550 -3.104
167 HB2 ARG 20 HB2 ARG 20 -4.198 3.402 -5.619
168 HB3 ARG 20 HB1 ARG 20 -5.818 2.710 -5.661
169 HG2 ARG 20 HG2 ARG 20 -6.663 4.755 -4.481
170 HG3 ARG 20 HG1 ARG 20 -5.053 5.454 -4.607
171 HD2 ARG 20 HD2 ARG 20 -5.313 4.928 -7.178
172 HD3 ARG 20 HD1 ARG 20 -7.036 4.879 -6.814
173 HE ARG 20 HE ARG 20 -5.437 7.229 -7.140
174 HH11 ARG 20 HH21 ARG 20 -7.854 5.937 -5.034
175 HH12 ARG 20 HH22 ARG 20 -8.238 7.472 -4.337
176 HH21 ARG 20 HH11 ARG 20 -5.949 9.222 -6.255
177 HH22 ARG 20 HH12 ARG 20 -7.171 9.329 -5.031
178 H ASP 21 HN ASP 21 -6.373 0.795 -3.930
179 HA ASP 21 HA ASP 21 -8.832 1.818 -2.861
180 HB2 ASP 21 HB2 ASP 21 -8.831 0.074 -4.598
181 HB3 ASP 21 HB1 ASP 21 -8.021 -1.032 -3.490
182 H PHE 22 HN PHE 22 -6.504 -0.642 -1.719
183 HA PHE 22 HA PHE 22 -7.761 -1.015 0.788
184 HB2 PHE 22 HB2 PHE 22 -5.036 -1.564 -0.327
185 HB3 PHE 22 HB1 PHE 22 -5.211 -1.638 1.421
186 HD1 PHE 22 HD2 PHE 22 -7.585 -2.604 -1.322
187 HD2 PHE 22 HD1 PHE 22 -5.200 -3.942 1.997
188 HE1 PHE 22 HE2 PHE 22 -8.547 -4.868 -1.535
189 HE2 PHE 22 HE1 PHE 22 -6.169 -6.200 1.777
190 HZ PHE 22 HZ PHE 22 -7.844 -6.673 0.012
191 H ILE 23 HN ILE 23 -5.718 1.480 -0.439
192 HA ILE 23 HA ILE 23 -4.851 2.574 2.072
193 HB ILE 23 HB ILE 23 -4.993 3.457 -0.776
194 HG12 ILE 23 HG12 ILE 23 -2.883 3.769 1.398
195 HG13 ILE 23 HG11 ILE 23 -2.958 2.454 0.239
196 HG21 ILE 23 HG21 ILE 23 -6.039 5.409 0.114
197 HG22 ILE 23 HG22 ILE 23 -4.357 5.833 -0.141
198 HG23 ILE 23 HG23 ILE 23 -4.928 5.460 1.484
199 HD11 ILE 23 HD11 ILE 23 -2.849 4.356 -1.552
200 HD12 ILE 23 HD12 ILE 23 -1.375 3.888 -0.718
201 HD13 ILE 23 HD13 ILE 23 -2.248 5.335 -0.222
202 H GLU 24 HN GLU 24 -7.654 2.974 0.047
203 HA GLU 24 HA GLU 24 -8.891 5.037 1.580
204 HB2 GLU 24 HB2 GLU 24 -10.140 2.917 -0.186
205 HB3 GLU 24 HB1 GLU 24 -11.058 4.216 0.557
206 HG2 GLU 24 HG2 GLU 24 -8.655 4.704 -1.229
207 HG3 GLU 24 HG1 GLU 24 -10.312 4.671 -1.824
208 H LYS 25 HN LYS 25 -8.591 1.599 2.029
209 HA LYS 25 HA LYS 25 -10.701 1.359 4.019
210 HB2 LYS 25 HB2 LYS 25 -9.702 -0.555 2.645
211 HB3 LYS 25 HB1 LYS 25 -8.290 -0.453 3.690
212 HG2 LYS 25 HG2 LYS 25 -9.543 -2.101 4.801
213 HG3 LYS 25 HG1 LYS 25 -10.063 -0.654 5.657
214 HD2 LYS 25 HD2 LYS 25 -12.082 -0.530 4.247
215 HD3 LYS 25 HD1 LYS 25 -11.538 -1.930 3.326
216 HE2 LYS 25 HE2 LYS 25 -13.147 -2.673 4.984
217 HE3 LYS 25 HE1 LYS 25 -11.550 -3.259 5.450
218 HZ1 LYS 25 HZ1 LYS 25 -12.146 -0.649 6.481
219 HZ2 LYS 25 HZ2 LYS 25 -11.561 -2.026 7.286
220 HZ3 LYS 25 HZ3 LYS 25 -13.230 -1.833 7.029
221 H PHE 26 HN PHE 26 -7.122 1.642 4.213
222 HA PHE 26 HA PHE 26 -7.006 1.636 7.074
223 HB2 PHE 26 HB2 PHE 26 -5.118 3.285 5.366
224 HB3 PHE 26 HB1 PHE 26 -4.770 2.439 6.869
225 HD1 PHE 26 HD1 PHE 26 -6.114 -0.262 6.137
226 HD2 PHE 26 HD2 PHE 26 -3.436 2.320 3.960
227 HE1 PHE 26 HE1 PHE 26 -5.289 -2.197 4.847
228 HE2 PHE 26 HE2 PHE 26 -2.623 0.363 2.661
229 HZ PHE 26 HZ PHE 26 -3.545 -1.890 3.116
230 H11A DNS 27 H22 DNS 27 4.547 3.701 5.356
231 H12 DNS 27 H23 DNS 27 3.953 4.698 6.687
232 H13 DNS 27 H24 DNS 27 3.744 5.244 5.009
233 H21 DNS 27 H21 DNS 27 3.289 1.784 6.039
234 H22 DNS 27 H19 DNS 27 1.552 1.922 6.376
235 H23 DNS 27 H20 DNS 27 2.720 2.690 7.457
236 H4 DNS 27 H14 DNS 27 2.191 4.769 8.092
237 H5 DNS 27 H15 DNS 27 0.300 6.273 8.764
238 H6 DNS 27 H16 DNS 27 -1.496 6.852 7.117
239 HZ DNS 27 HZ1 DNS 27 -4.222 6.167 3.540
240 HE3 DNS 27 HE1 DNS 27 -4.289 8.984 4.017
241 HE2 DNS 27 HE2 DNS 27 -4.248 8.552 2.316
242 HD3 DNS 27 HD1 DNS 27 -6.559 8.737 3.327
243 HD2 DNS 27 HD2 DNS 27 -6.221 7.211 2.506
244 HG3 DNS 27 HG1 DNS 27 -5.767 6.111 4.624
245 HG2 DNS 27 HG2 DNS 27 -5.924 7.636 5.497
246 HB3 DNS 27 HB1 DNS 27 -8.272 7.793 4.916
247 HB2 DNS 27 HB2 DNS 27 -8.155 6.384 3.862
248 HA DNS 27 HA DNS 27 -7.600 6.319 6.846
249 H DNS 27 HN DNS 27 -7.369 4.294 4.739
250 H9 DNS 27 H9 DNS 27 -2.353 5.717 2.519
251 H10 DNS 27 H10 DNS 27 -0.473 4.220 1.857
252 H11 DNS 27 H11 DNS 27 1.321 3.640 3.503
253 H GLY 28 HN GLY 28 -9.818 7.799 5.911
254 HA2 GLY 28 HA2 GLY 28 -12.218 6.394 5.501
255 HA3 GLY 28 HA1 GLY 28 -11.977 6.451 7.248
256 H ARG 29 HN ARG 29 -11.141 8.830 7.902
257 HA ARG 29 HA ARG 29 -13.360 10.596 7.343
258 HB2 ARG 29 HB2 ARG 29 -10.696 11.082 8.712
259 HB3 ARG 29 HB1 ARG 29 -12.022 12.246 8.677
260 HG2 ARG 29 HG2 ARG 29 -13.476 10.737 9.880
261 HG3 ARG 29 HG1 ARG 29 -12.305 9.424 9.754
262 HD2 ARG 29 HD2 ARG 29 -12.322 10.582 11.995
263 HD3 ARG 29 HD1 ARG 29 -10.750 10.572 11.196
264 HE ARG 29 HE ARG 29 -11.907 12.962 10.377
265 HH11 ARG 29 HH21 ARG 29 -11.253 11.402 13.389
266 HH12 ARG 29 HH22 ARG 29 -11.031 12.884 14.256
267 HH21 ARG 29 HH11 ARG 29 -11.620 14.899 11.498
268 HH22 ARG 29 HH12 ARG 29 -11.239 14.862 13.187
Start of MODEL 12
1 H1 GLY 1 HT1 GLY 1 12.117 2.424 -11.201
2 H2 GLY 1 HT2 GLY 1 11.421 2.854 -9.712
3 H3 GLY 1 HT3 GLY 1 10.488 2.064 -10.891
4 HA2 GLY 1 HA2 GLY 1 11.370 -0.033 -10.566
5 HA3 GLY 1 HA1 GLY 1 12.813 0.712 -9.817
6 H GLN 2 HN GLN 2 11.805 2.571 -8.095
7 HA GLN 2 HA GLN 2 12.748 0.981 -5.891
8 HB2 GLN 2 HB2 GLN 2 11.142 3.558 -5.828
9 HB3 GLN 2 HB1 GLN 2 12.084 2.890 -4.495
10 HG2 GLN 2 HG2 GLN 2 13.260 3.657 -7.184
11 HG3 GLN 2 HG1 GLN 2 13.282 4.700 -5.763
12 HE21 GLN 2 HE21 GLN 2 13.844 2.806 -3.732
13 HE22 GLN 2 HE22 GLN 2 15.386 2.148 -3.999
14 H GLN 3 HN GLN 3 11.562 -0.783 -5.274
15 HA GLN 3 HA GLN 3 8.684 -0.907 -5.494
16 HB2 GLN 3 HB2 GLN 3 8.891 -2.994 -4.167
17 HB3 GLN 3 HB1 GLN 3 9.987 -2.958 -5.548
18 HG2 GLN 3 HG2 GLN 3 11.804 -2.147 -4.024
19 HG3 GLN 3 HG1 GLN 3 10.702 -2.356 -2.662
20 HE21 GLN 3 HE21 GLN 3 9.946 -4.609 -2.210
21 HE22 GLN 3 HE22 GLN 3 10.888 -5.927 -2.716
22 H TYR 4 HN TYR 4 7.157 -0.853 -3.825
23 HA TYR 4 HA TYR 4 7.506 1.161 -1.880
24 HB2 TYR 4 HB2 TYR 4 5.311 -0.763 -1.348
25 HB3 TYR 4 HB1 TYR 4 5.206 0.961 -1.635
26 HD1 TYR 4 HD2 TYR 4 6.342 1.379 -4.254
27 HD2 TYR 4 HD1 TYR 4 3.878 -1.875 -2.889
28 HE1 TYR 4 HE2 TYR 4 5.611 0.949 -6.579
29 HE2 TYR 4 HE1 TYR 4 3.154 -2.295 -5.218
30 HH TYR 4 HH TYR 4 3.208 -1.572 -7.319
31 H THR 5 HN THR 5 8.595 1.010 0.060
32 HA THR 5 HA THR 5 8.846 -1.691 1.393
33 HB THR 5 HB THR 5 11.013 -1.070 2.125
34 HG1 THR 5 HG1 THR 5 11.732 1.139 1.680
35 HG21 THR 5 HG21 THR 5 10.904 0.257 -0.580
36 HG22 THR 5 HG22 THR 5 10.727 -1.490 -0.412
37 HG23 THR 5 HG23 THR 5 12.216 -0.698 0.105
38 H ALA 6 HN ALA 6 8.076 1.684 1.818
39 HA ALA 6 HA ALA 6 7.753 1.361 4.785
40 HB1 ALA 6 HB1 ALA 6 9.079 3.307 3.881
41 HB2 ALA 6 HB2 ALA 6 7.680 3.792 4.839
42 HB3 ALA 6 HB3 ALA 6 7.611 3.877 3.075
43 H1 NAL 7 H1 NAL 7 3.078 4.868 0.774
44 H3 NAL 7 H3 NAL 7 6.305 2.309 -0.436
45 H4 NAL 7 H4 NAL 7 7.465 4.218 -1.510
46 H5 NAL 7 H5 NAL 7 7.534 6.732 -2.094
47 H6 NAL 7 H6 NAL 7 6.478 8.971 -2.004
48 H7 NAL 7 H7 NAL 7 4.288 9.284 -0.879
49 H8 NAL 7 H8 NAL 7 3.129 7.356 0.167
50 H91 NAL 7 H91 NAL 7 2.845 2.473 0.571
51 H92 NAL 7 H92 NAL 7 4.294 1.468 0.519
52 H10 NAL 7 H10 NAL 7 3.729 3.560 2.655
53 HN1 NAL 7 HN1 NAL 7 6.166 2.697 1.963
54 H ILE 8 HN ILE 8 4.350 0.073 2.297
55 HA ILE 8 HA ILE 8 2.283 -0.461 4.352
56 HB ILE 8 HB ILE 8 1.403 -2.261 2.529
57 HG12 ILE 8 HG12 ILE 8 1.257 -1.232 0.298
58 HG13 ILE 8 HG11 ILE 8 2.228 0.133 0.828
59 HG21 ILE 8 HG21 ILE 8 0.564 0.663 2.475
60 HG22 ILE 8 HG22 ILE 8 0.018 -0.520 3.673
61 HG23 ILE 8 HG23 ILE 8 -0.415 -0.720 1.977
62 HD11 ILE 8 HD11 ILE 8 3.394 -1.689 -0.511
63 HD12 ILE 8 HD12 ILE 8 3.243 -2.708 0.901
64 HD13 ILE 8 HD13 ILE 8 4.185 -1.218 0.991
65 H LYS 9 HN LYS 9 3.306 -1.711 5.726
66 HA LYS 9 HA LYS 9 5.426 -3.557 4.856
67 HB2 LYS 9 HB2 LYS 9 4.616 -2.507 7.575
68 HB3 LYS 9 HB1 LYS 9 5.860 -3.737 7.349
69 HG2 LYS 9 HG2 LYS 9 7.302 -2.245 6.185
70 HG3 LYS 9 HG1 LYS 9 6.011 -1.088 5.876
71 HD2 LYS 9 HD2 LYS 9 7.544 -0.309 7.664
72 HD3 LYS 9 HD1 LYS 9 5.899 -0.525 8.257
73 HE2 LYS 9 HE2 LYS 9 6.461 -2.584 9.344
74 HE3 LYS 9 HE1 LYS 9 8.013 -2.682 8.510
75 HZ1 LYS 9 HZ1 LYS 9 8.917 -1.042 9.807
76 HZ2 LYS 9 HZ2 LYS 9 7.893 -1.804 10.929
77 HZ3 LYS 9 HZ3 LYS 9 7.419 -0.348 10.193
78 H GLY 10 HN GLY 10 5.382 -5.777 5.390
79 HA2 GLY 10 HA2 GLY 10 4.441 -7.856 5.943
80 HA3 GLY 10 HA1 GLY 10 3.235 -6.996 6.898
81 H ARG 11 HN ARG 11 2.624 -5.373 4.360
82 HA ARG 11 HA ARG 11 1.137 -7.438 2.770
83 HB2 ARG 11 HB2 ARG 11 0.002 -4.774 3.696
84 HB3 ARG 11 HB1 ARG 11 -0.836 -5.988 2.741
85 HG2 ARG 11 HG2 ARG 11 0.231 -6.501 5.535
86 HG3 ARG 11 HG1 ARG 11 -1.408 -5.966 5.224
87 HD2 ARG 11 HD2 ARG 11 -0.129 -8.574 4.385
88 HD3 ARG 11 HD1 ARG 11 -1.494 -8.358 5.463
89 HE ARG 11 HE ARG 11 -1.577 -8.614 2.593
90 HH11 ARG 11 HH21 ARG 11 -3.005 -6.807 5.168
91 HH12 ARG 11 HH22 ARG 11 -4.357 -6.295 4.217
92 HH21 ARG 11 HH11 ARG 11 -3.333 -7.966 1.365
93 HH22 ARG 11 HH12 ARG 11 -4.545 -6.953 2.073
94 H THR 12 HN THR 12 1.336 -7.060 0.583
95 HA THR 12 HA THR 12 2.087 -4.385 -0.372
96 HB THR 12 HB THR 12 3.685 -6.010 -1.984
97 HG1 THR 12 HG1 THR 12 3.164 -7.683 -0.383
98 HG21 THR 12 HG21 THR 12 5.589 -5.073 -0.782
99 HG22 THR 12 HG22 THR 12 4.563 -4.675 0.596
100 HG23 THR 12 HG23 THR 12 4.337 -3.839 -0.943
101 H PHE 13 HN PHE 13 1.780 -4.171 -2.717
102 HA PHE 13 HA PHE 13 -0.324 -6.045 -3.776
103 HB2 PHE 13 HB2 PHE 13 -0.154 -3.045 -4.176
104 HB3 PHE 13 HB1 PHE 13 -1.468 -4.114 -4.684
105 HD1 PHE 13 HD1 PHE 13 0.336 -2.751 -1.713
106 HD2 PHE 13 HD2 PHE 13 -3.174 -4.781 -3.132
107 HE1 PHE 13 HE1 PHE 13 -0.675 -2.611 0.545
108 HE2 PHE 13 HE2 PHE 13 -4.196 -4.584 -0.887
109 HZ PHE 13 HZ PHE 13 -2.935 -3.485 0.941
110 H ARG 14 HN ARG 14 0.043 -6.806 -5.791
111 HA ARG 14 HA ARG 14 2.550 -6.296 -7.126
112 HB2 ARG 14 HB2 ARG 14 1.170 -8.409 -7.417
113 HB3 ARG 14 HB1 ARG 14 0.030 -7.465 -8.377
114 HG2 ARG 14 HG2 ARG 14 1.887 -6.867 -9.928
115 HG3 ARG 14 HG1 ARG 14 2.970 -7.899 -9.001
116 HD2 ARG 14 HD2 ARG 14 1.078 -9.731 -9.446
117 HD3 ARG 14 HD1 ARG 14 0.699 -8.693 -10.818
118 HE ARG 14 HE ARG 14 2.854 -10.547 -10.670
119 HH11 ARG 14 HH21 ARG 14 2.267 -7.267 -11.584
120 HH12 ARG 14 HH22 ARG 14 3.739 -7.126 -12.480
121 HH21 ARG 14 HH11 ARG 14 4.750 -10.377 -11.852
122 HH22 ARG 14 HH12 ARG 14 5.136 -8.885 -12.641
123 H ASN 15 HN ASN 15 -0.769 -5.192 -7.589
124 HA ASN 15 HA ASN 15 0.151 -3.112 -9.549
125 HB2 ASN 15 HB2 ASN 15 -2.450 -2.841 -9.777
126 HB3 ASN 15 HB1 ASN 15 -1.656 -4.188 -10.596
127 HD21 ASN 15 HD21 ASN 15 -4.009 -5.049 -10.373
128 HD22 ASN 15 HD22 ASN 15 -4.362 -5.931 -8.967
129 H GLU 16 HN GLU 16 0.269 -1.071 -8.821
130 HA GLU 16 HA GLU 16 -0.312 -0.429 -6.112
131 HB2 GLU 16 HB2 GLU 16 1.300 0.888 -7.420
132 HB3 GLU 16 HB1 GLU 16 0.020 1.397 -8.519
133 HG2 GLU 16 HG2 GLU 16 -1.080 2.660 -6.783
134 HG3 GLU 16 HG1 GLU 16 -0.017 1.991 -5.546
135 H LYS 17 HN LYS 17 -2.270 -0.610 -8.929
136 HA LYS 17 HA LYS 17 -4.355 1.161 -8.374
137 HB2 LYS 17 HB2 LYS 17 -4.115 -0.285 -10.432
138 HB3 LYS 17 HB1 LYS 17 -4.676 -1.646 -9.466
139 HG2 LYS 17 HG2 LYS 17 -6.802 -0.537 -9.035
140 HG3 LYS 17 HG1 LYS 17 -6.239 0.931 -9.825
141 HD2 LYS 17 HD2 LYS 17 -7.599 -0.158 -11.454
142 HD3 LYS 17 HD1 LYS 17 -5.943 -0.482 -11.952
143 HE2 LYS 17 HE2 LYS 17 -6.041 -2.734 -11.130
144 HE3 LYS 17 HE1 LYS 17 -7.531 -2.422 -10.238
145 HZ1 LYS 17 HZ1 LYS 17 -8.364 -1.785 -12.626
146 HZ2 LYS 17 HZ2 LYS 17 -8.369 -3.396 -12.088
147 HZ3 LYS 17 HZ3 LYS 17 -7.126 -2.841 -13.103
148 H GLU 18 HN GLU 18 -3.910 -2.189 -7.250
149 HA GLU 18 HA GLU 18 -6.285 -2.239 -5.660
150 HB2 GLU 18 HB2 GLU 18 -3.763 -3.897 -5.542
151 HB3 GLU 18 HB1 GLU 18 -5.217 -4.240 -4.599
152 HG2 GLU 18 HG2 GLU 18 -6.525 -4.546 -6.615
153 HG3 GLU 18 HG1 GLU 18 -5.175 -4.022 -7.621
154 H LEU 19 HN LEU 19 -2.983 -1.195 -5.025
155 HA LEU 19 HA LEU 19 -3.341 -1.003 -2.166
156 HB2 LEU 19 HB2 LEU 19 -1.088 -1.061 -2.936
157 HB3 LEU 19 HB1 LEU 19 -1.377 0.206 -4.107
158 HG LEU 19 HG LEU 19 -1.598 1.843 -2.256
159 HD11 LEU 19 HD11 LEU 19 -0.828 -0.472 -0.497
160 HD12 LEU 19 HD12 LEU 19 -2.392 0.315 -0.478
161 HD13 LEU 19 HD13 LEU 19 -0.955 1.195 0.024
162 HD21 LEU 19 HD21 LEU 19 0.588 1.489 -3.288
163 HD22 LEU 19 HD22 LEU 19 0.911 0.166 -2.170
164 HD23 LEU 19 HD23 LEU 19 0.773 1.818 -1.566
165 H ARG 20 HN ARG 20 -3.928 1.122 -4.917
166 HA ARG 20 HA ARG 20 -4.422 3.537 -3.482
167 HB2 ARG 20 HB2 ARG 20 -4.205 3.357 -5.978
168 HB3 ARG 20 HB1 ARG 20 -5.793 2.593 -6.016
169 HG2 ARG 20 HG2 ARG 20 -6.795 4.604 -4.997
170 HG3 ARG 20 HG1 ARG 20 -5.206 5.369 -4.934
171 HD2 ARG 20 HD2 ARG 20 -5.040 5.180 -7.403
172 HD3 ARG 20 HD1 ARG 20 -6.661 4.486 -7.442
173 HE ARG 20 HE ARG 20 -6.996 6.879 -6.078
174 HH11 ARG 20 HH21 ARG 20 -5.639 5.898 -9.099
175 HH12 ARG 20 HH22 ARG 20 -6.027 7.381 -9.903
176 HH21 ARG 20 HH11 ARG 20 -7.507 8.816 -7.117
177 HH22 ARG 20 HH12 ARG 20 -7.084 9.033 -8.782
178 H ASP 21 HN ASP 21 -6.388 0.768 -4.231
179 HA ASP 21 HA ASP 21 -8.837 1.830 -3.178
180 HB2 ASP 21 HB2 ASP 21 -7.987 -1.003 -3.827
181 HB3 ASP 21 HB1 ASP 21 -9.618 -0.553 -3.328
182 H PHE 22 HN PHE 22 -6.519 -0.618 -1.984
183 HA PHE 22 HA PHE 22 -7.766 -0.916 0.538
184 HB2 PHE 22 HB2 PHE 22 -5.048 -1.507 -0.568
185 HB3 PHE 22 HB1 PHE 22 -5.215 -1.530 1.179
186 HD1 PHE 22 HD2 PHE 22 -7.605 -2.562 -1.523
187 HD2 PHE 22 HD1 PHE 22 -5.206 -3.819 1.819
188 HE1 PHE 22 HE2 PHE 22 -8.577 -4.829 -1.669
189 HE2 PHE 22 HE1 PHE 22 -6.183 -6.079 1.664
190 HZ PHE 22 HZ PHE 22 -7.871 -6.593 -0.078
191 H ILE 23 HN ILE 23 -5.724 1.543 -0.755
192 HA ILE 23 HA ILE 23 -4.844 2.696 1.728
193 HB ILE 23 HB ILE 23 -4.978 3.503 -1.142
194 HG12 ILE 23 HG12 ILE 23 -2.881 3.901 1.029
195 HG13 ILE 23 HG11 ILE 23 -2.948 2.539 -0.072
196 HG21 ILE 23 HG21 ILE 23 -4.926 5.567 1.061
197 HG22 ILE 23 HG22 ILE 23 -6.034 5.477 -0.313
198 HG23 ILE 23 HG23 ILE 23 -4.352 5.899 -0.572
199 HD11 ILE 23 HD11 ILE 23 -2.820 4.322 -1.953
200 HD12 ILE 23 HD12 ILE 23 -1.353 3.959 -1.056
201 HD13 ILE 23 HD13 ILE 23 -2.284 5.407 -0.678
202 H GLU 24 HN GLU 24 -7.648 3.059 -0.306
203 HA GLU 24 HA GLU 24 -8.869 5.179 1.153
204 HB2 GLU 24 HB2 GLU 24 -10.142 2.991 -0.510
205 HB3 GLU 24 HB1 GLU 24 -11.051 4.323 0.186
206 HG2 GLU 24 HG2 GLU 24 -8.662 4.726 -1.641
207 HG3 GLU 24 HG1 GLU 24 -10.325 4.676 -2.219
208 H LYS 25 HN LYS 25 -8.588 1.763 1.747
209 HA LYS 25 HA LYS 25 -10.682 1.636 3.771
210 HB2 LYS 25 HB2 LYS 25 -9.794 -0.353 2.478
211 HB3 LYS 25 HB1 LYS 25 -8.314 -0.234 3.426
212 HG2 LYS 25 HG2 LYS 25 -9.659 -0.490 5.510
213 HG3 LYS 25 HG1 LYS 25 -11.105 -0.702 4.522
214 HD2 LYS 25 HD2 LYS 25 -10.145 -2.686 3.474
215 HD3 LYS 25 HD1 LYS 25 -8.636 -2.453 4.359
216 HE2 LYS 25 HE2 LYS 25 -11.334 -2.903 5.668
217 HE3 LYS 25 HE1 LYS 25 -10.126 -4.162 5.416
218 HZ1 LYS 25 HZ1 LYS 25 -8.714 -2.173 6.588
219 HZ2 LYS 25 HZ2 LYS 25 -9.342 -3.533 7.387
220 HZ3 LYS 25 HZ3 LYS 25 -10.208 -2.071 7.383
221 H PHE 26 HN PHE 26 -7.091 1.855 3.905
222 HA PHE 26 HA PHE 26 -6.934 1.922 6.761
223 HB2 PHE 26 HB2 PHE 26 -5.032 3.482 4.988
224 HB3 PHE 26 HB1 PHE 26 -4.689 2.677 6.514
225 HD1 PHE 26 HD1 PHE 26 -6.077 -0.019 5.897
226 HD2 PHE 26 HD2 PHE 26 -3.400 2.442 3.586
227 HE1 PHE 26 HE1 PHE 26 -5.299 -2.011 4.668
228 HE2 PHE 26 HE2 PHE 26 -2.633 0.429 2.350
229 HZ PHE 26 HZ PHE 26 -3.579 -1.794 2.901
230 H11A DNS 27 H22 DNS 27 -1.228 1.619 5.326
231 H12 DNS 27 H23 DNS 27 -2.597 2.566 5.914
232 H13 DNS 27 H24 DNS 27 -1.562 1.694 7.066
233 H21 DNS 27 H21 DNS 27 0.871 2.205 6.904
234 H22 DNS 27 H19 DNS 27 1.344 3.874 6.535
235 H23 DNS 27 H20 DNS 27 0.994 2.750 5.218
236 H4 DNS 27 H14 DNS 27 -0.520 2.997 3.573
237 H5 DNS 27 H15 DNS 27 -1.007 4.727 1.826
238 H6 DNS 27 H16 DNS 27 -1.724 7.029 2.499
239 HZ DNS 27 HZ1 DNS 27 -3.969 7.652 4.076
240 HE3 DNS 27 HE1 DNS 27 -4.835 9.925 3.291
241 HE2 DNS 27 HE2 DNS 27 -4.493 9.255 1.703
242 HD3 DNS 27 HD1 DNS 27 -6.864 8.911 2.604
243 HD2 DNS 27 HD2 DNS 27 -6.041 7.466 2.012
244 HG3 DNS 27 HG1 DNS 27 -5.559 6.697 4.220
245 HG2 DNS 27 HG2 DNS 27 -5.945 8.261 4.938
246 HB3 DNS 27 HB1 DNS 27 -8.293 7.992 4.450
247 HB2 DNS 27 HB2 DNS 27 -7.985 6.538 3.499
248 HA DNS 27 HA DNS 27 -7.178 6.662 6.415
249 H DNS 27 HN DNS 27 -7.089 4.613 4.406
250 H9 DNS 27 H9 DNS 27 -2.490 9.229 6.719
251 H10 DNS 27 H10 DNS 27 -2.009 7.496 8.451
252 H11 DNS 27 H11 DNS 27 -1.291 5.198 7.772
253 H GLY 28 HN GLY 28 -8.702 6.299 8.001
254 HA2 GLY 28 HA2 GLY 28 -11.371 7.093 7.624
255 HA3 GLY 28 HA1 GLY 28 -11.364 5.331 7.519
256 H ARG 29 HN ARG 29 -9.422 7.519 9.533
257 HA ARG 29 HA ARG 29 -9.903 5.858 11.903
258 HB2 ARG 29 HB2 ARG 29 -8.491 8.529 11.608
259 HB3 ARG 29 HB1 ARG 29 -8.449 7.497 13.038
260 HG2 ARG 29 HG2 ARG 29 -7.414 5.693 11.717
261 HG3 ARG 29 HG1 ARG 29 -7.465 6.713 10.278
262 HD2 ARG 29 HD2 ARG 29 -5.234 6.804 11.293
263 HD3 ARG 29 HD1 ARG 29 -6.024 8.375 11.424
264 HE ARG 29 HE ARG 29 -6.681 7.105 13.801
265 HH11 ARG 29 HH21 ARG 29 -3.776 7.806 12.069
266 HH12 ARG 29 HH22 ARG 29 -2.804 7.943 13.497
267 HH21 ARG 29 HH11 ARG 29 -5.424 7.280 15.668
268 HH22 ARG 29 HH12 ARG 29 -3.736 7.645 15.531
Start of MODEL 13
1 H1 GLY 1 HT1 GLY 1 8.435 1.998 -10.909
2 H2 GLY 1 HT2 GLY 1 9.606 2.733 -11.896
3 H3 GLY 1 HT3 GLY 1 9.413 3.239 -10.286
4 HA2 GLY 1 HA2 GLY 1 10.247 0.431 -11.131
5 HA3 GLY 1 HA1 GLY 1 11.320 1.734 -10.541
6 H GLN 2 HN GLN 2 10.163 3.120 -8.656
7 HA GLN 2 HA GLN 2 11.847 1.887 -6.674
8 HB2 GLN 2 HB2 GLN 2 11.223 4.344 -6.786
9 HB3 GLN 2 HB1 GLN 2 9.625 3.900 -6.190
10 HG2 GLN 2 HG2 GLN 2 10.929 4.570 -4.279
11 HG3 GLN 2 HG1 GLN 2 10.771 2.817 -4.200
12 HE21 GLN 2 HE21 GLN 2 12.724 1.874 -3.617
13 HE22 GLN 2 HE22 GLN 2 14.257 2.418 -4.100
14 H GLN 3 HN GLN 3 11.314 -0.079 -5.831
15 HA GLN 3 HA GLN 3 8.590 -1.030 -5.654
16 HB2 GLN 3 HB2 GLN 3 9.506 -2.987 -4.598
17 HB3 GLN 3 HB1 GLN 3 10.638 -2.503 -5.853
18 HG2 GLN 3 HG2 GLN 3 10.916 -2.009 -2.868
19 HG3 GLN 3 HG1 GLN 3 11.898 -3.074 -3.865
20 HE21 GLN 3 HE21 GLN 3 12.201 -0.227 -2.342
21 HE22 GLN 3 HE22 GLN 3 13.185 0.619 -3.437
22 H TYR 4 HN TYR 4 7.269 -1.204 -3.802
23 HA TYR 4 HA TYR 4 7.539 0.897 -1.894
24 HB2 TYR 4 HB2 TYR 4 5.585 -0.847 -0.845
25 HB3 TYR 4 HB1 TYR 4 5.275 0.522 -1.902
26 HD1 TYR 4 HD1 TYR 4 6.668 -2.963 -2.302
27 HD2 TYR 4 HD2 TYR 4 3.882 -0.015 -3.748
28 HE1 TYR 4 HE1 TYR 4 5.933 -4.521 -4.074
29 HE2 TYR 4 HE2 TYR 4 3.154 -1.588 -5.517
30 HH TYR 4 HH TYR 4 4.810 -4.644 -6.059
31 H THR 5 HN THR 5 8.734 0.902 -0.056
32 HA THR 5 HA THR 5 9.487 -1.732 1.220
33 HB THR 5 HB THR 5 11.583 -0.748 1.829
34 HG1 THR 5 HG1 THR 5 10.219 1.581 1.211
35 HG21 THR 5 HG21 THR 5 12.565 -0.276 -0.332
36 HG22 THR 5 HG22 THR 5 10.992 0.177 -0.985
37 HG23 THR 5 HG23 THR 5 11.317 -1.502 -0.557
38 H ALA 6 HN ALA 6 8.260 1.497 1.701
39 HA ALA 6 HA ALA 6 8.097 1.075 4.681
40 HB1 ALA 6 HB1 ALA 6 7.929 3.669 3.101
41 HB2 ALA 6 HB2 ALA 6 9.405 3.067 3.869
42 HB3 ALA 6 HB3 ALA 6 8.009 3.497 4.858
43 H1 NAL 7 H1 NAL 7 3.431 4.840 0.877
44 H3 NAL 7 H3 NAL 7 6.379 2.059 -0.537
45 H4 NAL 7 H4 NAL 7 7.570 3.872 -1.734
46 H5 NAL 7 H5 NAL 7 7.743 6.366 -2.382
47 H6 NAL 7 H6 NAL 7 6.835 8.668 -2.259
48 H7 NAL 7 H7 NAL 7 4.770 9.138 -0.963
49 H8 NAL 7 H8 NAL 7 3.589 7.304 0.221
50 H91 NAL 7 H91 NAL 7 3.044 2.440 0.710
51 H92 NAL 7 H92 NAL 7 4.440 1.365 0.619
52 H10 NAL 7 H10 NAL 7 4.046 3.522 2.728
53 HN1 NAL 7 HN1 NAL 7 6.449 2.738 2.049
54 H ILE 8 HN ILE 8 4.528 0.020 2.371
55 HA ILE 8 HA ILE 8 2.524 -0.438 4.512
56 HB ILE 8 HB ILE 8 1.513 -2.193 2.735
57 HG12 ILE 8 HG12 ILE 8 1.362 -1.198 0.486
58 HG13 ILE 8 HG11 ILE 8 2.411 0.125 0.969
59 HG21 ILE 8 HG21 ILE 8 0.241 -0.379 3.879
60 HG22 ILE 8 HG22 ILE 8 -0.239 -0.580 2.193
61 HG23 ILE 8 HG23 ILE 8 0.817 0.760 2.651
62 HD11 ILE 8 HD11 ILE 8 3.474 -1.760 -0.363
63 HD12 ILE 8 HD12 ILE 8 3.277 -2.767 1.058
64 HD13 ILE 8 HD13 ILE 8 4.298 -1.327 1.131
65 H LYS 9 HN LYS 9 3.670 -1.662 5.858
66 HA LYS 9 HA LYS 9 5.644 -3.589 4.865
67 HB2 LYS 9 HB2 LYS 9 6.185 -2.053 6.768
68 HB3 LYS 9 HB1 LYS 9 4.963 -2.888 7.728
69 HG2 LYS 9 HG2 LYS 9 6.165 -4.991 7.529
70 HG3 LYS 9 HG1 LYS 9 7.330 -4.262 6.423
71 HD2 LYS 9 HD2 LYS 9 7.988 -2.670 8.234
72 HD3 LYS 9 HD1 LYS 9 6.904 -3.525 9.332
73 HE2 LYS 9 HE2 LYS 9 9.235 -4.328 9.562
74 HE3 LYS 9 HE1 LYS 9 8.169 -5.607 8.982
75 HZ1 LYS 9 HZ1 LYS 9 10.476 -4.714 7.783
76 HZ2 LYS 9 HZ2 LYS 9 9.220 -4.092 6.822
77 HZ3 LYS 9 HZ3 LYS 9 9.323 -5.762 7.113
78 H GLY 10 HN GLY 10 5.411 -5.782 4.983
79 HA2 GLY 10 HA2 GLY 10 4.521 -7.874 5.602
80 HA3 GLY 10 HA1 GLY 10 3.409 -7.057 6.691
81 H ARG 11 HN ARG 11 2.594 -5.309 4.246
82 HA ARG 11 HA ARG 11 0.966 -7.361 2.755
83 HB2 ARG 11 HB2 ARG 11 -0.089 -4.740 3.863
84 HB3 ARG 11 HB1 ARG 11 -1.007 -5.939 2.953
85 HG2 ARG 11 HG2 ARG 11 -0.649 -7.592 4.733
86 HG3 ARG 11 HG1 ARG 11 0.314 -6.425 5.640
87 HD2 ARG 11 HD2 ARG 11 -1.620 -4.935 5.833
88 HD3 ARG 11 HD1 ARG 11 -2.591 -6.040 4.860
89 HE ARG 11 HE ARG 11 -1.696 -7.614 6.966
90 HH11 ARG 11 HH21 ARG 11 -3.363 -4.608 6.619
91 HH12 ARG 11 HH22 ARG 11 -4.256 -4.783 8.093
92 HH21 ARG 11 HH11 ARG 11 -2.854 -7.853 8.888
93 HH22 ARG 11 HH12 ARG 11 -3.967 -6.619 9.376
94 H THR 12 HN THR 12 2.107 -7.083 0.806
95 HA THR 12 HA THR 12 2.256 -4.354 -0.328
96 HB THR 12 HB THR 12 3.737 -5.931 -2.049
97 HG1 THR 12 HG1 THR 12 4.986 -7.236 -0.592
98 HG21 THR 12 HG21 THR 12 4.479 -3.805 -1.056
99 HG22 THR 12 HG22 THR 12 5.727 -5.042 -0.889
100 HG23 THR 12 HG23 THR 12 4.726 -4.605 0.496
101 H PHE 13 HN PHE 13 1.764 -4.125 -2.604
102 HA PHE 13 HA PHE 13 -0.420 -5.983 -3.514
103 HB2 PHE 13 HB2 PHE 13 -0.133 -2.998 -3.984
104 HB3 PHE 13 HB1 PHE 13 -1.494 -4.011 -4.477
105 HD1 PHE 13 HD1 PHE 13 0.368 -2.675 -1.519
106 HD2 PHE 13 HD2 PHE 13 -3.217 -4.604 -2.912
107 HE1 PHE 13 HE1 PHE 13 -0.653 -2.439 0.728
108 HE2 PHE 13 HE2 PHE 13 -4.234 -4.323 -0.675
109 HZ PHE 13 HZ PHE 13 -2.944 -3.230 1.135
110 H ARG 14 HN ARG 14 -0.135 -6.843 -5.522
111 HA ARG 14 HA ARG 14 2.325 -6.418 -6.972
112 HB2 ARG 14 HB2 ARG 14 0.856 -8.516 -7.121
113 HB3 ARG 14 HB1 ARG 14 -0.249 -7.573 -8.121
114 HG2 ARG 14 HG2 ARG 14 1.096 -8.624 -9.738
115 HG3 ARG 14 HG1 ARG 14 1.887 -7.062 -9.576
116 HD2 ARG 14 HD2 ARG 14 3.217 -8.508 -7.635
117 HD3 ARG 14 HD1 ARG 14 2.890 -9.769 -8.815
118 HE ARG 14 HE ARG 14 4.916 -7.803 -9.033
119 HH11 ARG 14 HH21 ARG 14 2.311 -9.055 -10.927
120 HH12 ARG 14 HH22 ARG 14 2.977 -8.509 -12.426
121 HH21 ARG 14 HH11 ARG 14 5.795 -7.113 -10.979
122 HH22 ARG 14 HH12 ARG 14 4.947 -7.420 -12.457
123 H ASN 15 HN ASN 15 -0.981 -5.270 -7.326
124 HA ASN 15 HA ASN 15 -0.116 -3.270 -9.393
125 HB2 ASN 15 HB2 ASN 15 -2.836 -3.032 -9.337
126 HB3 ASN 15 HB1 ASN 15 -2.002 -4.153 -10.415
127 HD21 ASN 15 HD21 ASN 15 -4.623 -4.120 -8.504
128 HD22 ASN 15 HD22 ASN 15 -4.608 -5.711 -7.911
129 H GLU 16 HN GLU 16 0.083 -1.208 -8.705
130 HA GLU 16 HA GLU 16 -0.395 -0.516 -5.976
131 HB2 GLU 16 HB2 GLU 16 0.001 1.236 -8.425
132 HB3 GLU 16 HB1 GLU 16 -0.055 1.859 -6.778
133 HG2 GLU 16 HG2 GLU 16 2.269 1.555 -7.372
134 HG3 GLU 16 HG1 GLU 16 1.845 0.309 -6.200
135 H LYS 17 HN LYS 17 -2.427 -0.618 -8.756
136 HA LYS 17 HA LYS 17 -4.399 1.262 -8.107
137 HB2 LYS 17 HB2 LYS 17 -4.274 -0.123 -10.210
138 HB3 LYS 17 HB1 LYS 17 -4.911 -1.482 -9.286
139 HG2 LYS 17 HG2 LYS 17 -6.908 -0.122 -8.694
140 HG3 LYS 17 HG1 LYS 17 -6.293 1.197 -9.685
141 HD2 LYS 17 HD2 LYS 17 -6.704 -1.567 -10.876
142 HD3 LYS 17 HD1 LYS 17 -8.051 -0.445 -10.738
143 HE2 LYS 17 HE2 LYS 17 -6.705 1.248 -12.023
144 HE3 LYS 17 HE1 LYS 17 -5.474 0.011 -12.276
145 HZ1 LYS 17 HZ1 LYS 17 -8.208 -0.732 -12.924
146 HZ2 LYS 17 HZ2 LYS 17 -6.755 -1.110 -13.721
147 HZ3 LYS 17 HZ3 LYS 17 -7.480 0.410 -13.945
148 H GLU 18 HN GLU 18 -4.051 -2.121 -7.049
149 HA GLU 18 HA GLU 18 -6.387 -2.169 -5.434
150 HB2 GLU 18 HB2 GLU 18 -5.118 -4.180 -6.223
151 HB3 GLU 18 HB1 GLU 18 -3.853 -3.773 -5.066
152 HG2 GLU 18 HG2 GLU 18 -5.512 -3.929 -3.227
153 HG3 GLU 18 HG1 GLU 18 -6.749 -4.370 -4.402
154 H LEU 19 HN LEU 19 -3.070 -1.156 -4.835
155 HA LEU 19 HA LEU 19 -3.379 -0.874 -1.982
156 HB2 LEU 19 HB2 LEU 19 -1.152 -0.988 -2.813
157 HB3 LEU 19 HB1 LEU 19 -1.455 0.246 -4.014
158 HG LEU 19 HG LEU 19 -1.628 1.924 -2.161
159 HD11 LEU 19 HD11 LEU 19 -0.812 1.321 0.063
160 HD12 LEU 19 HD12 LEU 19 -0.642 -0.348 -0.453
161 HD13 LEU 19 HD13 LEU 19 -2.239 0.370 -0.328
162 HD21 LEU 19 HD21 LEU 19 0.476 1.569 -3.386
163 HD22 LEU 19 HD22 LEU 19 0.929 0.325 -2.220
164 HD23 LEU 19 HD23 LEU 19 0.775 2.004 -1.702
165 H ARG 20 HN ARG 20 -3.973 1.213 -4.771
166 HA ARG 20 HA ARG 20 -4.434 3.654 -3.368
167 HB2 ARG 20 HB2 ARG 20 -4.239 3.406 -5.869
168 HB3 ARG 20 HB1 ARG 20 -5.852 2.696 -5.871
169 HG2 ARG 20 HG2 ARG 20 -6.746 4.774 -4.834
170 HG3 ARG 20 HG1 ARG 20 -5.132 5.483 -4.905
171 HD2 ARG 20 HD2 ARG 20 -6.664 4.467 -7.314
172 HD3 ARG 20 HD1 ARG 20 -6.581 6.161 -6.827
173 HE ARG 20 HE ARG 20 -3.921 5.383 -7.009
174 HH11 ARG 20 HH21 ARG 20 -6.695 5.311 -9.068
175 HH12 ARG 20 HH22 ARG 20 -5.776 5.467 -10.527
176 HH21 ARG 20 HH11 ARG 20 -2.714 5.585 -8.904
177 HH22 ARG 20 HH12 ARG 20 -3.524 5.623 -10.434
178 H ASP 21 HN ASP 21 -6.457 0.904 -4.066
179 HA ASP 21 HA ASP 21 -8.874 2.023 -2.999
180 HB2 ASP 21 HB2 ASP 21 -8.940 0.228 -4.681
181 HB3 ASP 21 HB1 ASP 21 -8.144 -0.865 -3.551
182 H PHE 22 HN PHE 22 -6.598 -0.463 -1.810
183 HA PHE 22 HA PHE 22 -7.826 -0.734 0.718
184 HB2 PHE 22 HB2 PHE 22 -5.125 -1.366 -0.412
185 HB3 PHE 22 HB1 PHE 22 -5.277 -1.385 1.339
186 HD1 PHE 22 HD1 PHE 22 -7.701 -2.389 -1.344
187 HD2 PHE 22 HD2 PHE 22 -5.304 -3.669 1.989
188 HE1 PHE 22 HE1 PHE 22 -8.708 -4.640 -1.478
189 HE2 PHE 22 HE2 PHE 22 -6.317 -5.913 1.849
190 HZ PHE 22 HZ PHE 22 -8.021 -6.410 0.117
191 H ILE 23 HN ILE 23 -5.755 1.684 -0.599
192 HA ILE 23 HA ILE 23 -4.850 2.837 1.877
193 HB ILE 23 HB ILE 23 -4.982 3.633 -1.000
194 HG12 ILE 23 HG12 ILE 23 -2.848 3.948 1.149
195 HG13 ILE 23 HG11 ILE 23 -2.975 2.592 0.037
196 HG21 ILE 23 HG21 ILE 23 -4.854 5.692 1.206
197 HG22 ILE 23 HG22 ILE 23 -5.963 5.641 -0.170
198 HG23 ILE 23 HG23 ILE 23 -4.268 6.010 -0.425
199 HD11 ILE 23 HD11 ILE 23 -1.303 4.094 -0.828
200 HD12 ILE 23 HD12 ILE 23 -2.388 5.475 -0.656
201 HD13 ILE 23 HD13 ILE 23 -2.725 4.234 -1.854
202 H GLU 24 HN GLU 24 -7.650 3.232 -0.158
203 HA GLU 24 HA GLU 24 -8.828 5.388 1.285
204 HB2 GLU 24 HB2 GLU 24 -10.152 3.213 -0.357
205 HB3 GLU 24 HB1 GLU 24 -11.021 4.578 0.325
206 HG2 GLU 24 HG2 GLU 24 -9.535 6.132 -0.909
207 HG3 GLU 24 HG1 GLU 24 -8.715 4.752 -1.637
208 H LYS 25 HN LYS 25 -8.606 1.973 1.903
209 HA LYS 25 HA LYS 25 -10.699 1.897 3.930
210 HB2 LYS 25 HB2 LYS 25 -9.865 -0.116 2.645
211 HB3 LYS 25 HB1 LYS 25 -8.373 -0.022 3.578
212 HG2 LYS 25 HG2 LYS 25 -9.692 -0.250 5.675
213 HG3 LYS 25 HG1 LYS 25 -11.162 -0.416 4.713
214 HD2 LYS 25 HD2 LYS 25 -10.234 -2.416 3.620
215 HD3 LYS 25 HD1 LYS 25 -8.752 -2.251 4.564
216 HE2 LYS 25 HE2 LYS 25 -9.976 -2.588 6.638
217 HE3 LYS 25 HE1 LYS 25 -11.512 -2.602 5.770
218 HZ1 LYS 25 HZ1 LYS 25 -9.395 -4.503 5.023
219 HZ2 LYS 25 HZ2 LYS 25 -11.079 -4.644 4.847
220 HZ3 LYS 25 HZ3 LYS 25 -10.365 -4.822 6.378
221 H PHE 26 HN PHE 26 -7.102 2.038 4.054
222 HA PHE 26 HA PHE 26 -6.927 2.108 6.906
223 HB2 PHE 26 HB2 PHE 26 -5.022 3.646 5.116
224 HB3 PHE 26 HB1 PHE 26 -4.674 2.848 6.644
225 HD1 PHE 26 HD1 PHE 26 -6.107 0.159 6.033
226 HD2 PHE 26 HD2 PHE 26 -3.388 2.581 3.728
227 HE1 PHE 26 HE1 PHE 26 -5.353 -1.845 4.807
228 HE2 PHE 26 HE2 PHE 26 -2.646 0.556 2.495
229 HZ PHE 26 HZ PHE 26 -3.624 -1.652 3.046
230 H11A DNS 27 H22 DNS 27 1.726 2.616 8.315
231 H12 DNS 27 H23 DNS 27 0.426 2.847 9.484
232 H13 DNS 27 H24 DNS 27 0.703 4.057 8.215
233 H21 DNS 27 H21 DNS 27 -1.563 2.401 9.198
234 H22 DNS 27 H19 DNS 27 -1.395 0.770 8.530
235 H23 DNS 27 H20 DNS 27 -2.336 1.980 7.653
236 H4 DNS 27 H14 DNS 27 0.436 1.465 5.111
237 H5 DNS 27 H15 DNS 27 -0.075 2.712 3.006
238 H6 DNS 27 H16 DNS 27 -1.290 4.889 3.088
239 HZ DNS 27 HZ1 DNS 27 -2.508 8.782 4.973
240 HE3 DNS 27 HE1 DNS 27 -4.151 10.020 4.018
241 HE2 DNS 27 HE2 DNS 27 -3.506 9.136 2.644
242 HD3 DNS 27 HD1 DNS 27 -6.098 9.127 3.072
243 HD2 DNS 27 HD2 DNS 27 -5.307 7.619 2.609
244 HG3 DNS 27 HG1 DNS 27 -5.287 6.809 4.859
245 HG2 DNS 27 HG2 DNS 27 -5.702 8.393 5.516
246 HB3 DNS 27 HB1 DNS 27 -7.931 8.282 4.631
247 HB2 DNS 27 HB2 DNS 27 -7.548 6.859 3.660
248 HA DNS 27 HA DNS 27 -7.305 6.798 6.681
249 H DNS 27 HN DNS 27 -7.072 4.797 4.555
250 H9 DNS 27 H9 DNS 27 -3.101 7.639 6.572
251 H10 DNS 27 H10 DNS 27 -2.608 6.427 8.691
252 H11 DNS 27 H11 DNS 27 -1.393 4.255 8.651
253 H GLY 28 HN GLY 28 -9.299 4.570 6.568
254 HA2 GLY 28 HA2 GLY 28 -11.640 6.103 7.183
255 HA3 GLY 28 HA1 GLY 28 -11.811 5.386 5.580
256 H ARG 29 HN ARG 29 -10.323 4.159 8.576
257 HA ARG 29 HA ARG 29 -11.332 1.501 8.169
258 HB2 ARG 29 HB2 ARG 29 -10.513 1.040 10.427
259 HB3 ARG 29 HB1 ARG 29 -9.330 2.015 9.556
260 HG2 ARG 29 HG2 ARG 29 -10.377 4.064 10.649
261 HG3 ARG 29 HG1 ARG 29 -11.303 2.959 11.661
262 HD2 ARG 29 HD2 ARG 29 -9.232 1.970 12.522
263 HD3 ARG 29 HD1 ARG 29 -8.277 3.017 11.473
264 HE ARG 29 HE ARG 29 -9.833 4.784 12.947
265 HH11 ARG 29 HH21 ARG 29 -7.659 2.189 13.637
266 HH12 ARG 29 HH22 ARG 29 -7.128 2.863 15.142
267 HH21 ARG 29 HH11 ARG 29 -9.146 5.671 14.906
268 HH22 ARG 29 HH12 ARG 29 -7.968 4.832 15.859
Start of MODEL 14
1 H1 GLY 1 HT1 GLY 1 11.755 -0.098 -11.056
2 H2 GLY 1 HT2 GLY 1 13.143 -0.103 -10.076
3 H3 GLY 1 HT3 GLY 1 12.994 1.028 -11.335
4 HA2 GLY 1 HA2 GLY 1 12.045 2.554 -10.030
5 HA3 GLY 1 HA1 GLY 1 10.848 1.305 -9.573
6 H GLN 2 HN GLN 2 11.744 3.115 -7.717
7 HA GLN 2 HA GLN 2 12.576 1.314 -5.627
8 HB2 GLN 2 HB2 GLN 2 12.781 3.844 -5.593
9 HB3 GLN 2 HB1 GLN 2 11.045 3.916 -5.303
10 HG2 GLN 2 HG2 GLN 2 12.121 4.043 -3.153
11 HG3 GLN 2 HG1 GLN 2 11.419 2.432 -3.276
12 HE21 GLN 2 HE21 GLN 2 14.508 4.216 -3.519
13 HE22 GLN 2 HE22 GLN 2 15.497 2.861 -3.262
14 H GLN 3 HN GLN 3 11.298 -0.424 -5.138
15 HA GLN 3 HA GLN 3 8.426 -0.420 -5.461
16 HB2 GLN 3 HB2 GLN 3 10.104 -2.315 -3.790
17 HB3 GLN 3 HB1 GLN 3 8.487 -2.613 -4.434
18 HG2 GLN 3 HG2 GLN 3 9.393 -2.374 -6.740
19 HG3 GLN 3 HG1 GLN 3 11.010 -2.181 -6.061
20 HE21 GLN 3 HE21 GLN 3 11.642 -4.215 -7.197
21 HE22 GLN 3 HE22 GLN 3 11.188 -5.716 -6.550
22 H TYR 4 HN TYR 4 6.840 -0.324 -3.830
23 HA TYR 4 HA TYR 4 7.341 1.490 -1.702
24 HB2 TYR 4 HB2 TYR 4 4.872 0.077 -1.186
25 HB3 TYR 4 HB1 TYR 4 5.057 1.675 -1.877
26 HD1 TYR 4 HD2 TYR 4 5.763 1.770 -4.403
27 HD2 TYR 4 HD1 TYR 4 3.857 -1.608 -2.550
28 HE1 TYR 4 HE2 TYR 4 5.010 0.972 -6.624
29 HE2 TYR 4 HE1 TYR 4 3.112 -2.399 -4.770
30 HH TYR 4 HH TYR 4 3.064 -2.000 -6.946
31 H THR 5 HN THR 5 8.374 1.016 0.209
32 HA THR 5 HA THR 5 8.190 -1.792 1.317
33 HB THR 5 HB THR 5 10.426 -1.610 2.056
34 HG1 THR 5 HG1 THR 5 11.138 0.852 1.406
35 HG21 THR 5 HG21 THR 5 10.576 0.048 -0.454
36 HG22 THR 5 HG22 THR 5 10.090 -1.647 -0.520
37 HG23 THR 5 HG23 THR 5 11.688 -1.206 0.085
38 H ALA 6 HN ALA 6 8.009 1.623 2.027
39 HA ALA 6 HA ALA 6 7.718 1.175 4.956
40 HB1 ALA 6 HB1 ALA 6 7.708 3.607 5.099
41 HB2 ALA 6 HB2 ALA 6 7.534 3.756 3.347
42 HB3 ALA 6 HB3 ALA 6 9.034 3.125 4.042
43 H1 NAL 7 H1 NAL 7 2.894 4.905 1.342
44 H3 NAL 7 H3 NAL 7 6.094 2.440 -0.095
45 H4 NAL 7 H4 NAL 7 7.256 4.427 -1.024
46 H5 NAL 7 H5 NAL 7 7.313 6.975 -1.441
47 H6 NAL 7 H6 NAL 7 6.249 9.198 -1.196
48 H7 NAL 7 H7 NAL 7 4.070 9.429 -0.030
49 H8 NAL 7 H8 NAL 7 2.929 7.432 0.900
50 H91 NAL 7 H91 NAL 7 2.667 2.541 1.015
51 H92 NAL 7 H92 NAL 7 4.116 1.545 0.851
52 H10 NAL 7 H10 NAL 7 3.625 3.492 3.139
53 HN1 NAL 7 HN1 NAL 7 6.020 2.621 2.273
54 H ILE 8 HN ILE 8 4.305 0.045 2.633
55 HA ILE 8 HA ILE 8 2.202 -0.620 4.630
56 HB ILE 8 HB ILE 8 1.426 -2.377 2.743
57 HG12 ILE 8 HG12 ILE 8 1.372 -1.339 0.516
58 HG13 ILE 8 HG11 ILE 8 2.281 0.048 1.099
59 HG21 ILE 8 HG21 ILE 8 0.550 0.530 2.689
60 HG22 ILE 8 HG22 ILE 8 -0.034 -0.679 3.842
61 HG23 ILE 8 HG23 ILE 8 -0.384 -0.855 2.122
62 HD11 ILE 8 HD11 ILE 8 3.329 -2.795 1.120
63 HD12 ILE 8 HD12 ILE 8 4.251 -1.319 1.426
64 HD13 ILE 8 HD13 ILE 8 3.624 -1.654 -0.177
65 H LYS 9 HN LYS 9 3.539 -1.659 6.017
66 HA LYS 9 HA LYS 9 5.626 -3.449 5.080
67 HB2 LYS 9 HB2 LYS 9 5.877 -1.978 7.104
68 HB3 LYS 9 HB1 LYS 9 4.693 -3.000 7.922
69 HG2 LYS 9 HG2 LYS 9 6.136 -4.960 7.633
70 HG3 LYS 9 HG1 LYS 9 7.287 -4.004 6.708
71 HD2 LYS 9 HD2 LYS 9 8.262 -4.024 8.861
72 HD3 LYS 9 HD1 LYS 9 7.415 -2.482 8.840
73 HE2 LYS 9 HE2 LYS 9 7.034 -3.732 10.951
74 HE3 LYS 9 HE1 LYS 9 5.531 -3.480 10.072
75 HZ1 LYS 9 HZ1 LYS 9 5.393 -5.670 9.491
76 HZ2 LYS 9 HZ2 LYS 9 6.164 -5.820 10.997
77 HZ3 LYS 9 HZ3 LYS 9 7.069 -5.924 9.563
78 H GLY 10 HN GLY 10 5.457 -5.622 4.855
79 HA2 GLY 10 HA2 GLY 10 4.754 -7.829 5.352
80 HA3 GLY 10 HA1 GLY 10 3.532 -7.187 6.441
81 H ARG 11 HN ARG 11 2.667 -5.355 4.045
82 HA ARG 11 HA ARG 11 1.275 -7.466 2.402
83 HB2 ARG 11 HB2 ARG 11 -0.035 -4.993 3.574
84 HB3 ARG 11 HB1 ARG 11 -0.816 -6.228 2.586
85 HG2 ARG 11 HG2 ARG 11 -0.362 -7.920 4.309
86 HG3 ARG 11 HG1 ARG 11 0.462 -6.711 5.294
87 HD2 ARG 11 HD2 ARG 11 -2.453 -6.631 4.461
88 HD3 ARG 11 HD1 ARG 11 -1.851 -7.018 6.073
89 HE ARG 11 HE ARG 11 -0.755 -4.526 5.534
90 HH11 ARG 11 HH21 ARG 11 -3.915 -5.921 5.516
91 HH12 ARG 11 HH22 ARG 11 -4.711 -4.443 5.939
92 HH21 ARG 11 HH11 ARG 11 -1.782 -2.593 6.085
93 HH22 ARG 11 HH12 ARG 11 -3.505 -2.561 6.260
94 H THR 12 HN THR 12 2.459 -7.023 0.519
95 HA THR 12 HA THR 12 2.428 -4.256 -0.525
96 HB THR 12 HB THR 12 3.999 -5.748 -2.285
97 HG1 THR 12 HG1 THR 12 4.388 -7.508 -1.224
98 HG21 THR 12 HG21 THR 12 4.942 -4.327 0.226
99 HG22 THR 12 HG22 THR 12 4.572 -3.540 -1.309
100 HG23 THR 12 HG23 THR 12 5.918 -4.676 -1.200
101 H PHE 13 HN PHE 13 1.920 -4.006 -2.823
102 HA PHE 13 HA PHE 13 -0.171 -5.963 -3.753
103 HB2 PHE 13 HB2 PHE 13 -0.019 -2.963 -4.157
104 HB3 PHE 13 HB1 PHE 13 -1.319 -4.023 -4.712
105 HD1 PHE 13 HD1 PHE 13 0.436 -2.742 -1.671
106 HD2 PHE 13 HD2 PHE 13 -3.047 -4.730 -3.207
107 HE1 PHE 13 HE1 PHE 13 -0.625 -2.646 0.567
108 HE2 PHE 13 HE2 PHE 13 -4.114 -4.586 -0.982
109 HZ PHE 13 HZ PHE 13 -2.892 -3.531 0.897
110 H ARG 14 HN ARG 14 0.097 -6.782 -5.766
111 HA ARG 14 HA ARG 14 2.532 -6.320 -7.233
112 HB2 ARG 14 HB2 ARG 14 1.178 -8.417 -7.475
113 HB3 ARG 14 HB1 ARG 14 -0.083 -7.483 -8.282
114 HG2 ARG 14 HG2 ARG 14 1.437 -6.900 -10.091
115 HG3 ARG 14 HG1 ARG 14 2.784 -7.682 -9.259
116 HD2 ARG 14 HD2 ARG 14 1.561 -9.848 -9.380
117 HD3 ARG 14 HD1 ARG 14 0.284 -9.050 -10.296
118 HE ARG 14 HE ARG 14 2.597 -8.470 -11.723
119 HH11 ARG 14 HH21 ARG 14 1.029 -11.312 -10.540
120 HH12 ARG 14 HH22 ARG 14 1.610 -12.323 -11.821
121 HH21 ARG 14 HH11 ARG 14 3.361 -9.779 -13.397
122 HH22 ARG 14 HH12 ARG 14 2.929 -11.456 -13.437
123 H ASN 15 HN ASN 15 -0.797 -5.199 -7.604
124 HA ASN 15 HA ASN 15 0.098 -3.111 -9.571
125 HB2 ASN 15 HB2 ASN 15 -2.540 -2.867 -9.747
126 HB3 ASN 15 HB1 ASN 15 -1.701 -4.123 -10.660
127 HD21 ASN 15 HD21 ASN 15 -3.952 -5.142 -10.525
128 HD22 ASN 15 HD22 ASN 15 -4.293 -6.109 -9.173
129 H GLU 16 HN GLU 16 0.205 -1.075 -8.842
130 HA GLU 16 HA GLU 16 -0.354 -0.442 -6.130
131 HB2 GLU 16 HB2 GLU 16 1.233 0.912 -7.374
132 HB3 GLU 16 HB1 GLU 16 0.008 1.331 -8.570
133 HG2 GLU 16 HG2 GLU 16 -1.205 2.677 -6.991
134 HG3 GLU 16 HG1 GLU 16 -0.249 2.072 -5.641
135 H LYS 17 HN LYS 17 -2.338 -0.642 -8.923
136 HA LYS 17 HA LYS 17 -4.443 1.098 -8.355
137 HB2 LYS 17 HB2 LYS 17 -4.183 -0.371 -10.408
138 HB3 LYS 17 HB1 LYS 17 -4.752 -1.718 -9.430
139 HG2 LYS 17 HG2 LYS 17 -6.880 -0.611 -9.027
140 HG3 LYS 17 HG1 LYS 17 -6.312 0.857 -9.811
141 HD2 LYS 17 HD2 LYS 17 -7.661 -0.235 -11.448
142 HD3 LYS 17 HD1 LYS 17 -6.001 -0.549 -11.938
143 HE2 LYS 17 HE2 LYS 17 -6.090 -2.803 -11.119
144 HE3 LYS 17 HE1 LYS 17 -7.590 -2.500 -10.240
145 HZ1 LYS 17 HZ1 LYS 17 -7.488 -3.590 -12.662
146 HZ2 LYS 17 HZ2 LYS 17 -7.665 -1.955 -13.085
147 HZ3 LYS 17 HZ3 LYS 17 -8.817 -2.706 -12.087
148 H GLU 18 HN GLU 18 -3.960 -2.251 -7.234
149 HA GLU 18 HA GLU 18 -6.320 -2.312 -5.624
150 HB2 GLU 18 HB2 GLU 18 -3.794 -3.965 -5.562
151 HB3 GLU 18 HB1 GLU 18 -5.206 -4.309 -4.559
152 HG2 GLU 18 HG2 GLU 18 -5.314 -4.103 -7.583
153 HG3 GLU 18 HG1 GLU 18 -5.096 -5.625 -6.719
154 H LEU 19 HN LEU 19 -3.043 -1.208 -5.035
155 HA LEU 19 HA LEU 19 -3.338 -1.052 -2.159
156 HB2 LEU 19 HB2 LEU 19 -1.113 -1.117 -3.002
157 HB3 LEU 19 HB1 LEU 19 -1.432 0.168 -4.144
158 HG LEU 19 HG LEU 19 -1.616 1.760 -2.216
159 HD11 LEU 19 HD11 LEU 19 -0.560 -0.548 -0.600
160 HD12 LEU 19 HD12 LEU 19 -2.191 0.083 -0.455
161 HD13 LEU 19 HD13 LEU 19 -0.817 1.087 -0.020
162 HD21 LEU 19 HD21 LEU 19 0.803 1.805 -1.726
163 HD22 LEU 19 HD22 LEU 19 0.483 1.539 -3.438
164 HD23 LEU 19 HD23 LEU 19 0.950 0.186 -2.411
165 H ARG 20 HN ARG 20 -3.957 1.118 -4.875
166 HA ARG 20 HA ARG 20 -4.434 3.518 -3.413
167 HB2 ARG 20 HB2 ARG 20 -4.249 3.299 -5.917
168 HB3 ARG 20 HB1 ARG 20 -5.853 2.582 -5.929
169 HG2 ARG 20 HG2 ARG 20 -5.298 5.320 -4.729
170 HG3 ARG 20 HG1 ARG 20 -5.705 5.106 -6.425
171 HD2 ARG 20 HD2 ARG 20 -7.755 3.685 -5.195
172 HD3 ARG 20 HD1 ARG 20 -7.490 4.992 -4.050
173 HE ARG 20 HE ARG 20 -8.873 5.215 -6.505
174 HH11 ARG 20 HH21 ARG 20 -6.280 6.791 -4.853
175 HH12 ARG 20 HH22 ARG 20 -6.456 8.269 -5.732
176 HH21 ARG 20 HH11 ARG 20 -9.115 7.136 -7.637
177 HH22 ARG 20 HH12 ARG 20 -8.061 8.468 -7.300
178 H ASP 21 HN ASP 21 -6.447 0.781 -4.189
179 HA ASP 21 HA ASP 21 -8.855 1.838 -3.039
180 HB2 ASP 21 HB2 ASP 21 -8.071 -0.979 -3.819
181 HB3 ASP 21 HB1 ASP 21 -9.683 -0.520 -3.271
182 H PHE 22 HN PHE 22 -6.564 -0.699 -1.985
183 HA PHE 22 HA PHE 22 -7.775 -1.087 0.537
184 HB2 PHE 22 HB2 PHE 22 -5.082 -1.652 -0.637
185 HB3 PHE 22 HB1 PHE 22 -5.213 -1.739 1.110
186 HD1 PHE 22 HD2 PHE 22 -7.663 -2.653 -1.576
187 HD2 PHE 22 HD1 PHE 22 -5.207 -4.050 1.666
188 HE1 PHE 22 HE2 PHE 22 -8.654 -4.906 -1.790
189 HE2 PHE 22 HE1 PHE 22 -6.204 -6.297 1.446
190 HZ PHE 22 HZ PHE 22 -7.929 -6.735 -0.280
191 H ILE 23 HN ILE 23 -5.722 1.402 -0.675
192 HA ILE 23 HA ILE 23 -4.824 2.446 1.852
193 HB ILE 23 HB ILE 23 -4.970 3.388 -0.985
194 HG12 ILE 23 HG12 ILE 23 -2.801 3.603 1.141
195 HG13 ILE 23 HG11 ILE 23 -2.966 2.266 0.014
196 HG21 ILE 23 HG21 ILE 23 -4.203 5.721 -0.247
197 HG22 ILE 23 HG22 ILE 23 -4.828 5.300 1.346
198 HG23 ILE 23 HG23 ILE 23 -5.911 5.357 -0.048
199 HD11 ILE 23 HD11 ILE 23 -2.430 5.156 -0.706
200 HD12 ILE 23 HD12 ILE 23 -2.688 3.865 -1.870
201 HD13 ILE 23 HD13 ILE 23 -1.282 3.823 -0.814
202 H GLU 24 HN GLU 24 -7.629 2.920 -0.171
203 HA GLU 24 HA GLU 24 -8.802 5.030 1.330
204 HB2 GLU 24 HB2 GLU 24 -10.136 2.876 -0.330
205 HB3 GLU 24 HB1 GLU 24 -11.013 4.212 0.395
206 HG2 GLU 24 HG2 GLU 24 -8.653 4.602 -1.474
207 HG3 GLU 24 HG1 GLU 24 -10.328 4.579 -2.019
208 H LYS 25 HN LYS 25 -8.548 1.615 1.883
209 HA LYS 25 HA LYS 25 -10.596 1.497 3.960
210 HB2 LYS 25 HB2 LYS 25 -9.746 -0.474 2.566
211 HB3 LYS 25 HB1 LYS 25 -8.290 -0.430 3.551
212 HG2 LYS 25 HG2 LYS 25 -9.571 -2.000 4.737
213 HG3 LYS 25 HG1 LYS 25 -9.997 -0.521 5.590
214 HD2 LYS 25 HD2 LYS 25 -12.057 -0.326 4.243
215 HD3 LYS 25 HD1 LYS 25 -11.610 -1.768 3.336
216 HE2 LYS 25 HE2 LYS 25 -13.191 -2.405 5.061
217 HE3 LYS 25 HE1 LYS 25 -11.608 -3.050 5.490
218 HZ1 LYS 25 HZ1 LYS 25 -13.222 -1.280 6.949
219 HZ2 LYS 25 HZ2 LYS 25 -11.789 -0.469 6.529
220 HZ3 LYS 25 HZ3 LYS 25 -11.720 -1.937 7.383
221 H PHE 26 HN PHE 26 -6.998 1.620 3.998
222 HA PHE 26 HA PHE 26 -6.821 1.646 6.868
223 HB2 PHE 26 HB2 PHE 26 -4.784 3.035 5.103
224 HB3 PHE 26 HB1 PHE 26 -4.519 2.181 6.615
225 HD1 PHE 26 HD1 PHE 26 -6.034 -0.384 6.087
226 HD2 PHE 26 HD2 PHE 26 -3.374 1.889 3.572
227 HE1 PHE 26 HE1 PHE 26 -5.450 -2.435 4.841
228 HE2 PHE 26 HE2 PHE 26 -2.803 -0.178 2.321
229 HZ PHE 26 HZ PHE 26 -3.836 -2.338 2.966
230 H11A DNS 27 H22 DNS 27 0.581 4.601 8.773
231 H12 DNS 27 H23 DNS 27 1.954 3.623 9.304
232 H13 DNS 27 H24 DNS 27 0.580 2.851 8.484
233 H21 DNS 27 H21 DNS 27 3.371 3.050 6.033
234 H22 DNS 27 H19 DNS 27 2.340 1.919 6.929
235 H23 DNS 27 H20 DNS 27 3.575 2.848 7.785
236 H4 DNS 27 H14 DNS 27 0.131 2.018 6.461
237 H5 DNS 27 H15 DNS 27 -1.493 2.263 4.574
238 H6 DNS 27 H16 DNS 27 -1.599 4.398 3.268
239 HZ DNS 27 HZ1 DNS 27 -2.085 6.188 4.277
240 HE3 DNS 27 HE1 DNS 27 -2.827 8.213 4.746
241 HE2 DNS 27 HE2 DNS 27 -2.693 8.688 3.064
242 HD3 DNS 27 HD1 DNS 27 -5.007 8.802 3.700
243 HD2 DNS 27 HD2 DNS 27 -4.812 7.442 2.593
244 HG3 DNS 27 HG1 DNS 27 -4.811 5.867 4.437
245 HG2 DNS 27 HG2 DNS 27 -4.806 7.177 5.617
246 HB3 DNS 27 HB1 DNS 27 -7.008 7.940 4.732
247 HB2 DNS 27 HB2 DNS 27 -7.024 6.556 3.638
248 HA DNS 27 HA DNS 27 -6.807 6.333 6.655
249 H DNS 27 HN DNS 27 -6.708 4.339 4.506
250 H9 DNS 27 H9 DNS 27 0.772 8.591 3.462
251 H10 DNS 27 H10 DNS 27 2.388 8.335 5.347
252 H11 DNS 27 H11 DNS 27 2.486 6.199 6.646
253 H GLY 28 HN GLY 28 -8.646 7.048 7.588
254 HA2 GLY 28 HA2 GLY 28 -11.051 7.690 6.255
255 HA3 GLY 28 HA1 GLY 28 -11.233 6.049 6.876
256 H ARG 29 HN ARG 29 -9.718 9.023 8.168
257 HA ARG 29 HA ARG 29 -10.516 8.436 10.872
258 HB2 ARG 29 HB2 ARG 29 -9.696 11.077 9.621
259 HB3 ARG 29 HB1 ARG 29 -9.780 10.747 11.352
260 HG2 ARG 29 HG2 ARG 29 -8.100 8.944 11.075
261 HG3 ARG 29 HG1 ARG 29 -7.989 9.330 9.357
262 HD2 ARG 29 HD2 ARG 29 -7.300 11.165 11.668
263 HD3 ARG 29 HD1 ARG 29 -6.168 10.443 10.525
264 HE ARG 29 HE ARG 29 -7.933 11.860 8.915
265 HH11 ARG 29 HH21 ARG 29 -5.937 12.547 11.650
266 HH12 ARG 29 HH22 ARG 29 -5.663 14.196 11.198
267 HH21 ARG 29 HH11 ARG 29 -7.581 14.007 8.317
268 HH22 ARG 29 HH12 ARG 29 -6.592 15.022 9.313
Start of MODEL 15
1 H1 GLY 1 HT1 GLY 1 11.291 0.608 -12.148
2 H2 GLY 1 HT2 GLY 1 10.340 -0.640 -11.500
3 H3 GLY 1 HT3 GLY 1 11.890 -0.340 -10.875
4 HA2 GLY 1 HA2 GLY 1 10.605 2.151 -10.695
5 HA3 GLY 1 HA1 GLY 1 9.506 0.877 -10.089
6 H GLN 2 HN GLN 2 10.547 2.750 -8.374
7 HA GLN 2 HA GLN 2 11.627 0.981 -6.351
8 HB2 GLN 2 HB2 GLN 2 11.914 3.474 -6.357
9 HB3 GLN 2 HB1 GLN 2 10.201 3.633 -5.971
10 HG2 GLN 2 HG2 GLN 2 10.510 2.408 -3.888
11 HG3 GLN 2 HG1 GLN 2 12.198 2.089 -4.291
12 HE21 GLN 2 HE21 GLN 2 10.331 5.148 -4.641
13 HE22 GLN 2 HE22 GLN 2 11.353 6.061 -3.638
14 H GLN 3 HN GLN 3 10.348 -0.750 -5.773
15 HA GLN 3 HA GLN 3 7.460 -0.622 -5.684
16 HB2 GLN 3 HB2 GLN 3 9.282 -2.640 -4.336
17 HB3 GLN 3 HB1 GLN 3 7.558 -2.829 -4.662
18 HG2 GLN 3 HG2 GLN 3 8.673 -4.012 -6.418
19 HG3 GLN 3 HG1 GLN 3 8.122 -2.502 -7.141
20 HE21 GLN 3 HE21 GLN 3 10.001 -3.122 -8.707
21 HE22 GLN 3 HE22 GLN 3 11.550 -2.562 -8.297
22 H TYR 4 HN TYR 4 6.128 -0.546 -3.844
23 HA TYR 4 HA TYR 4 6.902 1.243 -1.800
24 HB2 TYR 4 HB2 TYR 4 4.578 -0.621 -1.371
25 HB3 TYR 4 HB1 TYR 4 4.654 1.114 -1.132
26 HD1 TYR 4 HD2 TYR 4 4.550 2.664 -3.093
27 HD2 TYR 4 HD1 TYR 4 3.973 -1.574 -3.507
28 HE1 TYR 4 HE2 TYR 4 3.580 3.012 -5.348
29 HE2 TYR 4 HE1 TYR 4 3.022 -1.228 -5.760
30 HH TYR 4 HH TYR 4 1.862 0.639 -6.997
31 H THR 5 HN THR 5 8.222 0.791 -0.036
32 HA THR 5 HA THR 5 8.295 -2.039 1.034
33 HB THR 5 HB THR 5 10.596 -1.752 1.507
34 HG1 THR 5 HG1 THR 5 10.440 0.314 2.405
35 HG21 THR 5 HG21 THR 5 11.579 -1.303 -0.610
36 HG22 THR 5 HG22 THR 5 10.341 -0.118 -1.012
37 HG23 THR 5 HG23 THR 5 9.943 -1.837 -1.002
38 H ALA 6 HN ALA 6 8.066 1.357 1.853
39 HA ALA 6 HA ALA 6 8.122 0.798 4.786
40 HB1 ALA 6 HB1 ALA 6 7.768 3.440 3.307
41 HB2 ALA 6 HB2 ALA 6 9.333 2.790 3.813
42 HB3 ALA 6 HB3 ALA 6 8.127 3.223 5.024
43 H1 NAL 7 H1 NAL 7 2.985 4.746 1.787
44 H3 NAL 7 H3 NAL 7 6.033 2.305 0.014
45 H4 NAL 7 H4 NAL 7 7.066 4.297 -1.042
46 H5 NAL 7 H5 NAL 7 7.067 6.847 -1.449
47 H6 NAL 7 H6 NAL 7 6.030 9.066 -1.075
48 H7 NAL 7 H7 NAL 7 3.989 9.281 0.323
49 H8 NAL 7 H8 NAL 7 2.964 7.275 1.361
50 H91 NAL 7 H91 NAL 7 2.731 2.375 1.455
51 H92 NAL 7 H92 NAL 7 4.172 1.393 1.169
52 H10 NAL 7 H10 NAL 7 3.897 3.340 3.488
53 HN1 NAL 7 HN1 NAL 7 6.193 2.537 2.461
54 H ILE 8 HN ILE 8 4.506 -0.122 3.030
55 HA ILE 8 HA ILE 8 2.510 -0.733 5.118
56 HB ILE 8 HB ILE 8 1.652 -2.535 3.296
57 HG12 ILE 8 HG12 ILE 8 1.480 -1.525 1.058
58 HG13 ILE 8 HG11 ILE 8 2.399 -0.122 1.586
59 HG21 ILE 8 HG21 ILE 8 0.236 -0.827 4.451
60 HG22 ILE 8 HG22 ILE 8 -0.209 -1.050 2.759
61 HG23 ILE 8 HG23 ILE 8 0.735 0.363 3.239
62 HD11 ILE 8 HD11 ILE 8 3.562 -2.903 1.760
63 HD12 ILE 8 HD12 ILE 8 4.411 -1.355 1.707
64 HD13 ILE 8 HD13 ILE 8 3.624 -1.982 0.269
65 H LYS 9 HN LYS 9 3.293 -2.272 6.361
66 HA LYS 9 HA LYS 9 5.637 -3.847 5.509
67 HB2 LYS 9 HB2 LYS 9 5.806 -2.440 7.569
68 HB3 LYS 9 HB1 LYS 9 4.545 -3.435 8.298
69 HG2 LYS 9 HG2 LYS 9 5.931 -5.421 8.125
70 HG3 LYS 9 HG1 LYS 9 7.161 -4.535 7.225
71 HD2 LYS 9 HD2 LYS 9 7.466 -3.035 9.203
72 HD3 LYS 9 HD1 LYS 9 6.331 -4.046 10.100
73 HE2 LYS 9 HE2 LYS 9 7.801 -6.005 9.736
74 HE3 LYS 9 HE1 LYS 9 8.945 -4.976 8.873
75 HZ1 LYS 9 HZ1 LYS 9 8.433 -5.196 11.713
76 HZ2 LYS 9 HZ2 LYS 9 8.601 -3.605 11.142
77 HZ3 LYS 9 HZ3 LYS 9 9.846 -4.734 10.896
78 H GLY 10 HN GLY 10 5.505 -6.032 5.287
79 HA2 GLY 10 HA2 GLY 10 4.719 -8.238 5.635
80 HA3 GLY 10 HA1 GLY 10 3.446 -7.606 6.674
81 H ARG 11 HN ARG 11 2.806 -5.644 4.345
82 HA ARG 11 HA ARG 11 1.458 -7.583 2.476
83 HB2 ARG 11 HB2 ARG 11 0.192 -5.150 3.779
84 HB3 ARG 11 HB1 ARG 11 -0.570 -6.158 2.554
85 HG2 ARG 11 HG2 ARG 11 0.395 -7.187 5.245
86 HG3 ARG 11 HG1 ARG 11 -1.264 -6.703 4.918
87 HD2 ARG 11 HD2 ARG 11 -1.107 -8.426 2.924
88 HD3 ARG 11 HD1 ARG 11 0.245 -9.086 3.846
89 HE ARG 11 HE ARG 11 -1.790 -8.853 5.717
90 HH11 ARG 11 HH21 ARG 11 -1.399 -10.307 2.608
91 HH12 ARG 11 HH22 ARG 11 -2.518 -11.591 2.923
92 HH21 ARG 11 HH11 ARG 11 -3.251 -10.524 6.140
93 HH22 ARG 11 HH12 ARG 11 -3.565 -11.714 4.921
94 H THR 12 HN THR 12 2.802 -7.085 0.725
95 HA THR 12 HA THR 12 3.072 -4.265 -0.071
96 HB THR 12 HB THR 12 4.562 -5.879 -1.870
97 HG1 THR 12 HG1 THR 12 5.123 -7.543 -0.767
98 HG21 THR 12 HG21 THR 12 5.553 -4.443 0.618
99 HG22 THR 12 HG22 THR 12 5.219 -3.654 -0.923
100 HG23 THR 12 HG23 THR 12 6.509 -4.854 -0.808
101 H PHE 13 HN PHE 13 2.769 -3.736 -2.346
102 HA PHE 13 HA PHE 13 0.489 -5.285 -3.562
103 HB2 PHE 13 HB2 PHE 13 1.107 -2.318 -3.470
104 HB3 PHE 13 HB1 PHE 13 -0.163 -3.017 -4.475
105 HD1 PHE 13 HD1 PHE 13 1.058 -2.908 -0.913
106 HD2 PHE 13 HD2 PHE 13 -2.314 -3.333 -3.543
107 HE1 PHE 13 HE1 PHE 13 -0.470 -2.913 1.031
108 HE2 PHE 13 HE2 PHE 13 -3.829 -3.349 -1.596
109 HZ PHE 13 HZ PHE 13 -2.906 -3.116 0.679
110 H ARG 14 HN ARG 14 0.740 -5.920 -5.642
111 HA ARG 14 HA ARG 14 3.256 -5.254 -7.073
112 HB2 ARG 14 HB2 ARG 14 0.931 -7.069 -7.820
113 HB3 ARG 14 HB1 ARG 14 2.432 -6.917 -8.731
114 HG2 ARG 14 HG2 ARG 14 2.226 -7.829 -5.844
115 HG3 ARG 14 HG1 ARG 14 2.432 -8.903 -7.220
116 HD2 ARG 14 HD2 ARG 14 4.540 -7.279 -7.689
117 HD3 ARG 14 HD1 ARG 14 4.439 -7.066 -5.944
118 HE ARG 14 HE ARG 14 5.548 -9.313 -7.278
119 HH11 ARG 14 HH21 ARG 14 3.308 -8.625 -4.740
120 HH12 ARG 14 HH22 ARG 14 3.394 -10.215 -4.069
121 HH21 ARG 14 HH11 ARG 14 5.683 -11.369 -6.395
122 HH22 ARG 14 HH12 ARG 14 4.741 -11.763 -4.995
123 H ASN 15 HN ASN 15 -0.249 -4.854 -7.338
124 HA ASN 15 HA ASN 15 0.102 -2.905 -9.593
125 HB2 ASN 15 HB2 ASN 15 -2.496 -3.144 -9.630
126 HB3 ASN 15 HB1 ASN 15 -1.523 -4.452 -10.313
127 HD21 ASN 15 HD21 ASN 15 -3.708 -5.603 -9.740
128 HD22 ASN 15 HD22 ASN 15 -3.791 -6.315 -8.201
129 H GLU 16 HN GLU 16 -0.124 -0.802 -9.125
130 HA GLU 16 HA GLU 16 -0.683 0.080 -6.465
131 HB2 GLU 16 HB2 GLU 16 0.626 1.404 -8.159
132 HB3 GLU 16 HB1 GLU 16 -0.881 1.696 -9.027
133 HG2 GLU 16 HG2 GLU 16 -1.823 2.846 -7.098
134 HG3 GLU 16 HG1 GLU 16 -0.396 2.461 -6.136
135 H LYS 17 HN LYS 17 -2.668 -0.789 -9.126
136 HA LYS 17 HA LYS 17 -4.981 0.711 -8.655
137 HB2 LYS 17 HB2 LYS 17 -4.459 -0.974 -10.548
138 HB3 LYS 17 HB1 LYS 17 -5.039 -2.216 -9.447
139 HG2 LYS 17 HG2 LYS 17 -7.197 -1.039 -9.235
140 HG3 LYS 17 HG1 LYS 17 -6.633 0.218 -10.331
141 HD2 LYS 17 HD2 LYS 17 -6.625 -2.686 -11.214
142 HD3 LYS 17 HD1 LYS 17 -8.109 -1.744 -11.295
143 HE2 LYS 17 HE2 LYS 17 -6.884 -0.033 -12.676
144 HE3 LYS 17 HE1 LYS 17 -5.491 -1.113 -12.701
145 HZ1 LYS 17 HZ1 LYS 17 -7.980 -1.288 -14.138
146 HZ2 LYS 17 HZ2 LYS 17 -7.493 -2.750 -13.421
147 HZ3 LYS 17 HZ3 LYS 17 -6.463 -1.947 -14.509
148 H GLU 18 HN GLU 18 -4.037 -2.441 -7.260
149 HA GLU 18 HA GLU 18 -6.339 -2.612 -5.557
150 HB2 GLU 18 HB2 GLU 18 -3.661 -4.017 -5.558
151 HB3 GLU 18 HB1 GLU 18 -4.905 -4.374 -4.357
152 HG2 GLU 18 HG2 GLU 18 -6.470 -5.027 -6.098
153 HG3 GLU 18 HG1 GLU 18 -5.335 -4.534 -7.355
154 H LEU 19 HN LEU 19 -3.122 -1.229 -5.159
155 HA LEU 19 HA LEU 19 -3.358 -0.828 -2.310
156 HB2 LEU 19 HB2 LEU 19 -1.182 -0.845 -3.385
157 HB3 LEU 19 HB1 LEU 19 -1.644 0.504 -4.398
158 HG LEU 19 HG LEU 19 -1.916 1.804 -2.180
159 HD11 LEU 19 HD11 LEU 19 -1.773 -0.188 -0.678
160 HD12 LEU 19 HD12 LEU 19 -0.584 1.051 -0.301
161 HD13 LEU 19 HD13 LEU 19 -0.099 -0.386 -1.191
162 HD21 LEU 19 HD21 LEU 19 0.821 0.913 -3.081
163 HD22 LEU 19 HD22 LEU 19 0.491 2.347 -2.110
164 HD23 LEU 19 HD23 LEU 19 -0.108 2.248 -3.764
165 H ARG 20 HN ARG 20 -4.300 1.042 -5.149
166 HA ARG 20 HA ARG 20 -4.879 3.496 -3.800
167 HB2 ARG 20 HB2 ARG 20 -4.778 3.306 -6.267
168 HB3 ARG 20 HB1 ARG 20 -6.206 2.278 -6.241
169 HG2 ARG 20 HG2 ARG 20 -6.798 4.596 -6.832
170 HG3 ARG 20 HG1 ARG 20 -7.543 4.137 -5.307
171 HD2 ARG 20 HD2 ARG 20 -6.094 5.513 -4.048
172 HD3 ARG 20 HD1 ARG 20 -4.860 5.536 -5.311
173 HE ARG 20 HE ARG 20 -7.047 6.786 -6.481
174 HH11 ARG 20 HH21 ARG 20 -5.178 7.168 -3.601
175 HH12 ARG 20 HH22 ARG 20 -5.424 8.880 -3.513
176 HH21 ARG 20 HH11 ARG 20 -7.374 9.018 -6.377
177 HH22 ARG 20 HH12 ARG 20 -6.666 9.926 -5.082
178 H ASP 21 HN ASP 21 -6.671 0.561 -4.322
179 HA ASP 21 HA ASP 21 -9.126 1.484 -3.154
180 HB2 ASP 21 HB2 ASP 21 -8.120 -1.304 -3.768
181 HB3 ASP 21 HB1 ASP 21 -9.747 -0.946 -3.192
182 H PHE 22 HN PHE 22 -6.581 -0.762 -2.025
183 HA PHE 22 HA PHE 22 -7.668 -1.080 0.560
184 HB2 PHE 22 HB2 PHE 22 -4.958 -1.477 -0.655
185 HB3 PHE 22 HB1 PHE 22 -5.062 -1.494 1.097
186 HD1 PHE 22 HD1 PHE 22 -7.422 -2.751 -1.536
187 HD2 PHE 22 HD2 PHE 22 -4.900 -3.762 1.798
188 HE1 PHE 22 HE1 PHE 22 -8.226 -5.083 -1.629
189 HE2 PHE 22 HE2 PHE 22 -5.711 -6.087 1.698
190 HZ PHE 22 HZ PHE 22 -7.374 -6.760 -0.012
191 H ILE 23 HN ILE 23 -5.883 1.481 -0.898
192 HA ILE 23 HA ILE 23 -4.988 2.777 1.512
193 HB ILE 23 HB ILE 23 -5.330 3.499 -1.373
194 HG12 ILE 23 HG12 ILE 23 -3.098 4.092 0.608
195 HG13 ILE 23 HG11 ILE 23 -3.199 2.612 -0.336
196 HG21 ILE 23 HG21 ILE 23 -5.236 5.580 0.811
197 HG22 ILE 23 HG22 ILE 23 -6.396 5.446 -0.515
198 HG23 ILE 23 HG23 ILE 23 -4.738 5.923 -0.845
199 HD11 ILE 23 HD11 ILE 23 -1.685 4.311 -1.357
200 HD12 ILE 23 HD12 ILE 23 -3.059 5.399 -1.522
201 HD13 ILE 23 HD13 ILE 23 -3.025 3.884 -2.408
202 H GLU 24 HN GLU 24 -7.901 2.857 -0.411
203 HA GLU 24 HA GLU 24 -9.202 4.952 1.008
204 HB2 GLU 24 HB2 GLU 24 -10.404 2.588 -0.458
205 HB3 GLU 24 HB1 GLU 24 -11.361 3.898 0.216
206 HG2 GLU 24 HG2 GLU 24 -10.093 5.522 -1.168
207 HG3 GLU 24 HG1 GLU 24 -9.194 4.188 -1.887
208 H LYS 25 HN LYS 25 -8.628 1.608 1.756
209 HA LYS 25 HA LYS 25 -10.578 1.455 3.926
210 HB2 LYS 25 HB2 LYS 25 -9.671 -0.541 2.653
211 HB3 LYS 25 HB1 LYS 25 -8.138 -0.300 3.487
212 HG2 LYS 25 HG2 LYS 25 -9.330 -0.522 5.671
213 HG3 LYS 25 HG1 LYS 25 -10.818 -0.875 4.791
214 HD2 LYS 25 HD2 LYS 25 -9.790 -2.845 3.774
215 HD3 LYS 25 HD1 LYS 25 -8.253 -2.475 4.557
216 HE2 LYS 25 HE2 LYS 25 -9.558 -4.216 5.781
217 HE3 LYS 25 HE1 LYS 25 -9.254 -2.781 6.760
218 HZ1 LYS 25 HZ1 LYS 25 -11.730 -3.097 5.172
219 HZ2 LYS 25 HZ2 LYS 25 -11.430 -2.030 6.460
220 HZ3 LYS 25 HZ3 LYS 25 -11.600 -3.695 6.755
221 H PHE 26 HN PHE 26 -7.001 1.871 3.779
222 HA PHE 26 HA PHE 26 -6.642 2.084 6.611
223 HB2 PHE 26 HB2 PHE 26 -4.967 3.648 4.624
224 HB3 PHE 26 HB1 PHE 26 -4.469 2.962 6.163
225 HD1 PHE 26 HD1 PHE 26 -5.754 0.151 5.773
226 HD2 PHE 26 HD2 PHE 26 -3.335 2.623 3.203
227 HE1 PHE 26 HE1 PHE 26 -4.931 -1.858 4.604
228 HE2 PHE 26 HE2 PHE 26 -2.524 0.593 2.028
229 HZ PHE 26 HZ PHE 26 -3.318 -1.645 2.738
230 H11A DNS 27 H22 DNS 27 0.693 4.536 6.602
231 H12 DNS 27 H23 DNS 27 1.587 5.215 5.238
232 H13 DNS 27 H24 DNS 27 1.708 3.481 5.601
233 H21 DNS 27 H21 DNS 27 -0.202 2.130 5.517
234 H22 DNS 27 H19 DNS 27 -1.525 2.536 4.410
235 H23 DNS 27 H20 DNS 27 -1.502 3.224 6.037
236 H4 DNS 27 H14 DNS 27 -1.480 5.294 6.711
237 H5 DNS 27 H15 DNS 27 -2.878 7.350 6.404
238 H6 DNS 27 H16 DNS 27 -3.094 8.402 4.142
239 HZ DNS 27 HZ1 DNS 27 -4.183 7.885 3.027
240 HE3 DNS 27 HE1 DNS 27 -5.431 9.837 2.376
241 HE2 DNS 27 HE2 DNS 27 -5.459 9.203 0.741
242 HD3 DNS 27 HD1 DNS 27 -7.546 8.760 2.054
243 HD2 DNS 27 HD2 DNS 27 -6.779 7.307 1.414
244 HG3 DNS 27 HG1 DNS 27 -5.887 6.704 3.548
245 HG2 DNS 27 HG2 DNS 27 -6.207 8.302 4.224
246 HB3 DNS 27 HB1 DNS 27 -8.593 7.931 4.166
247 HB2 DNS 27 HB2 DNS 27 -8.390 6.421 3.277
248 HA DNS 27 HA DNS 27 -7.144 6.813 6.013
249 H DNS 27 HN DNS 27 -7.120 4.646 4.156
250 H9 DNS 27 H9 DNS 27 -1.332 7.386 -0.234
251 H10 DNS 27 H10 DNS 27 0.058 5.340 0.089
252 H11 DNS 27 H11 DNS 27 0.267 4.299 2.352
253 H GLY 28 HN GLY 28 -8.591 7.243 7.593
254 HA2 GLY 28 HA2 GLY 28 -11.424 7.100 7.268
255 HA3 GLY 28 HA1 GLY 28 -10.879 5.658 8.126
256 H ARG 29 HN ARG 29 -9.177 6.284 9.941
257 HA ARG 29 HA ARG 29 -10.560 7.869 11.885
258 HB2 ARG 29 HB2 ARG 29 -7.771 6.699 11.729
259 HB3 ARG 29 HB1 ARG 29 -8.114 7.875 12.991
260 HG2 ARG 29 HG2 ARG 29 -8.484 5.645 13.873
261 HG3 ARG 29 HG1 ARG 29 -10.035 6.468 13.743
262 HD2 ARG 29 HD2 ARG 29 -8.975 4.610 11.596
263 HD3 ARG 29 HD1 ARG 29 -10.005 4.063 12.916
264 HE ARG 29 HE ARG 29 -11.389 6.214 11.824
265 HH11 ARG 29 HH21 ARG 29 -10.025 3.259 10.668
266 HH12 ARG 29 HH22 ARG 29 -11.204 3.053 9.416
267 HH21 ARG 29 HH11 ARG 29 -12.933 5.955 10.200
268 HH22 ARG 29 HH12 ARG 29 -12.850 4.579 9.153
Start of MODEL 16
1 H1 GLY 1 HT1 GLY 1 10.721 3.109 -8.652
2 H2 GLY 1 HT2 GLY 1 11.460 3.302 -10.170
3 H3 GLY 1 HT3 GLY 1 12.414 3.173 -8.769
4 HA2 GLY 1 HA2 GLY 1 10.901 1.071 -10.314
5 HA3 GLY 1 HA1 GLY 1 12.503 1.015 -9.517
6 H GLN 2 HN GLN 2 12.385 1.898 -7.073
7 HA GLN 2 HA GLN 2 12.620 -0.779 -6.047
8 HB2 GLN 2 HB2 GLN 2 12.307 1.829 -4.524
9 HB3 GLN 2 HB1 GLN 2 12.898 0.306 -3.858
10 HG2 GLN 2 HG2 GLN 2 14.801 0.342 -5.410
11 HG3 GLN 2 HG1 GLN 2 14.205 1.840 -6.125
12 HE21 GLN 2 HE21 GLN 2 16.010 3.152 -5.436
13 HE22 GLN 2 HE22 GLN 2 16.300 3.504 -3.801
14 H GLN 3 HN GLN 3 11.133 -2.021 -4.911
15 HA GLN 3 HA GLN 3 8.332 -1.397 -5.244
16 HB2 GLN 3 HB2 GLN 3 9.517 -3.493 -3.404
17 HB3 GLN 3 HB1 GLN 3 7.894 -3.466 -4.100
18 HG2 GLN 3 HG2 GLN 3 8.904 -3.610 -6.374
19 HG3 GLN 3 HG1 GLN 3 10.499 -3.745 -5.631
20 HE21 GLN 3 HE21 GLN 3 7.370 -5.419 -5.993
21 HE22 GLN 3 HE22 GLN 3 7.948 -6.947 -5.530
22 H TYR 4 HN TYR 4 6.822 -0.864 -3.642
23 HA TYR 4 HA TYR 4 7.666 1.001 -1.689
24 HB2 TYR 4 HB2 TYR 4 4.981 -0.068 -1.132
25 HB3 TYR 4 HB1 TYR 4 5.422 1.528 -1.695
26 HD1 TYR 4 HD2 TYR 4 6.424 1.478 -4.232
27 HD2 TYR 4 HD1 TYR 4 3.527 -1.254 -2.604
28 HE1 TYR 4 HE2 TYR 4 5.629 0.952 -6.517
29 HE2 TYR 4 HE1 TYR 4 2.746 -1.773 -4.893
30 HH TYR 4 HH TYR 4 3.129 -0.011 -7.417
31 H THR 5 HN THR 5 8.625 0.550 0.272
32 HA THR 5 HA THR 5 8.020 -2.089 1.622
33 HB THR 5 HB THR 5 10.265 -2.207 2.327
34 HG1 THR 5 HG1 THR 5 10.758 0.427 1.476
35 HG21 THR 5 HG21 THR 5 10.650 -0.734 -0.273
36 HG22 THR 5 HG22 THR 5 9.912 -2.337 -0.245
37 HG23 THR 5 HG23 THR 5 11.562 -2.111 0.339
38 H ALA 6 HN ALA 6 8.401 1.362 2.041
39 HA ALA 6 HA ALA 6 8.111 1.248 4.985
40 HB1 ALA 6 HB1 ALA 6 8.033 3.655 3.116
41 HB2 ALA 6 HB2 ALA 6 9.517 2.997 3.819
42 HB3 ALA 6 HB3 ALA 6 8.273 3.678 4.867
43 H1 NAL 7 H1 NAL 7 3.385 4.986 1.213
44 H3 NAL 7 H3 NAL 7 6.549 2.360 -0.008
45 H4 NAL 7 H4 NAL 7 7.818 4.272 -0.954
46 H5 NAL 7 H5 NAL 7 7.987 6.799 -1.450
47 H6 NAL 7 H6 NAL 7 7.001 9.067 -1.321
48 H7 NAL 7 H7 NAL 7 4.787 9.418 -0.255
49 H8 NAL 7 H8 NAL 7 3.532 7.499 0.690
50 H91 NAL 7 H91 NAL 7 3.082 2.643 1.020
51 H92 NAL 7 H92 NAL 7 4.478 1.569 0.865
52 H10 NAL 7 H10 NAL 7 4.102 3.588 3.115
53 HN1 NAL 7 HN1 NAL 7 6.431 2.513 2.211
54 H ILE 8 HN ILE 8 4.622 0.102 2.666
55 HA ILE 8 HA ILE 8 2.562 -0.437 4.722
56 HB ILE 8 HB ILE 8 1.658 -2.197 2.891
57 HG12 ILE 8 HG12 ILE 8 1.565 -1.181 0.643
58 HG13 ILE 8 HG11 ILE 8 2.563 0.166 1.180
59 HG21 ILE 8 HG21 ILE 8 0.304 -0.416 4.007
60 HG22 ILE 8 HG22 ILE 8 -0.117 -0.621 2.307
61 HG23 ILE 8 HG23 ILE 8 0.889 0.744 2.804
62 HD11 ILE 8 HD11 ILE 8 4.491 -1.194 1.345
63 HD12 ILE 8 HD12 ILE 8 3.695 -1.758 -0.123
64 HD13 ILE 8 HD13 ILE 8 3.543 -2.684 1.356
65 H LYS 9 HN LYS 9 3.537 -1.774 6.068
66 HA LYS 9 HA LYS 9 5.732 -3.499 5.177
67 HB2 LYS 9 HB2 LYS 9 5.894 -2.010 7.237
68 HB3 LYS 9 HB1 LYS 9 4.744 -3.099 8.006
69 HG2 LYS 9 HG2 LYS 9 6.791 -4.023 8.707
70 HG3 LYS 9 HG1 LYS 9 6.451 -4.994 7.280
71 HD2 LYS 9 HD2 LYS 9 7.947 -3.578 5.932
72 HD3 LYS 9 HD1 LYS 9 8.224 -2.524 7.318
73 HE2 LYS 9 HE2 LYS 9 9.282 -4.331 8.544
74 HE3 LYS 9 HE1 LYS 9 8.878 -5.483 7.271
75 HZ1 LYS 9 HZ1 LYS 9 10.359 -4.475 5.795
76 HZ2 LYS 9 HZ2 LYS 9 11.208 -4.523 7.266
77 HZ3 LYS 9 HZ3 LYS 9 10.503 -3.071 6.735
78 H GLY 10 HN GLY 10 5.648 -5.710 5.157
79 HA2 GLY 10 HA2 GLY 10 4.826 -7.885 5.517
80 HA3 GLY 10 HA1 GLY 10 3.589 -7.212 6.573
81 H ARG 11 HN ARG 11 2.876 -5.325 4.190
82 HA ARG 11 HA ARG 11 1.455 -7.342 2.459
83 HB2 ARG 11 HB2 ARG 11 0.227 -4.847 3.674
84 HB3 ARG 11 HB1 ARG 11 -0.578 -5.974 2.580
85 HG2 ARG 11 HG2 ARG 11 -0.270 -7.789 4.230
86 HG3 ARG 11 HG1 ARG 11 0.514 -6.653 5.328
87 HD2 ARG 11 HD2 ARG 11 -2.339 -6.485 4.314
88 HD3 ARG 11 HD1 ARG 11 -1.837 -6.899 5.953
89 HE ARG 11 HE ARG 11 -0.678 -4.416 5.511
90 HH11 ARG 11 HH21 ARG 11 -3.850 -5.767 5.291
91 HH12 ARG 11 HH22 ARG 11 -4.650 -4.283 5.686
92 HH21 ARG 11 HH11 ARG 11 -1.711 -2.476 6.028
93 HH22 ARG 11 HH12 ARG 11 -3.441 -2.422 6.103
94 H THR 12 HN THR 12 2.714 -6.917 0.621
95 HA THR 12 HA THR 12 2.889 -4.133 -0.339
96 HB THR 12 HB THR 12 4.355 -5.728 -2.129
97 HG1 THR 12 HG1 THR 12 4.059 -7.448 -0.624
98 HG21 THR 12 HG21 THR 12 5.054 -3.539 -1.160
99 HG22 THR 12 HG22 THR 12 6.333 -4.752 -1.057
100 HG23 THR 12 HG23 THR 12 5.385 -4.346 0.373
101 H PHE 13 HN PHE 13 2.435 -3.749 -2.619
102 HA PHE 13 HA PHE 13 0.128 -5.423 -3.585
103 HB2 PHE 13 HB2 PHE 13 0.723 -2.463 -3.834
104 HB3 PHE 13 HB1 PHE 13 -0.619 -3.270 -4.642
105 HD1 PHE 13 HD1 PHE 13 0.904 -2.726 -1.251
106 HD2 PHE 13 HD2 PHE 13 -2.668 -3.538 -3.481
107 HE1 PHE 13 HE1 PHE 13 -0.434 -2.540 0.818
108 HE2 PHE 13 HE2 PHE 13 -4.005 -3.354 -1.416
109 HZ PHE 13 HZ PHE 13 -2.885 -2.840 0.726
110 H ARG 14 HN ARG 14 0.233 -6.211 -5.632
111 HA ARG 14 HA ARG 14 2.695 -5.815 -7.205
112 HB2 ARG 14 HB2 ARG 14 0.133 -7.354 -7.780
113 HB3 ARG 14 HB1 ARG 14 1.558 -7.360 -8.819
114 HG2 ARG 14 HG2 ARG 14 2.912 -8.301 -7.001
115 HG3 ARG 14 HG1 ARG 14 1.522 -8.244 -5.916
116 HD2 ARG 14 HD2 ARG 14 1.612 -9.821 -8.503
117 HD3 ARG 14 HD1 ARG 14 1.895 -10.511 -6.905
118 HE ARG 14 HE ARG 14 -0.568 -9.240 -6.672
119 HH11 ARG 14 HH21 ARG 14 0.855 -11.596 -8.758
120 HH12 ARG 14 HH22 ARG 14 -0.639 -12.415 -9.068
121 HH21 ARG 14 HH11 ARG 14 -2.522 -10.298 -7.069
122 HH22 ARG 14 HH12 ARG 14 -2.550 -11.680 -8.112
123 H ASN 15 HN ASN 15 -0.752 -5.044 -7.381
124 HA ASN 15 HA ASN 15 -0.245 -3.094 -9.607
125 HB2 ASN 15 HB2 ASN 15 -2.857 -3.091 -9.616
126 HB3 ASN 15 HB1 ASN 15 -2.014 -4.460 -10.350
127 HD21 ASN 15 HD21 ASN 15 -4.307 -5.400 -9.778
128 HD22 ASN 15 HD22 ASN 15 -4.433 -6.161 -8.265
129 H GLU 16 HN GLU 16 -0.270 -0.993 -9.078
130 HA GLU 16 HA GLU 16 -0.718 -0.140 -6.386
131 HB2 GLU 16 HB2 GLU 16 0.673 1.054 -8.182
132 HB3 GLU 16 HB1 GLU 16 -0.852 1.624 -8.857
133 HG2 GLU 16 HG2 GLU 16 -1.392 2.592 -6.581
134 HG3 GLU 16 HG1 GLU 16 0.251 2.180 -6.091
135 H LYS 17 HN LYS 17 -2.797 -0.744 -9.052
136 HA LYS 17 HA LYS 17 -4.979 0.922 -8.525
137 HB2 LYS 17 HB2 LYS 17 -4.674 -0.703 -10.471
138 HB3 LYS 17 HB1 LYS 17 -5.210 -1.979 -9.382
139 HG2 LYS 17 HG2 LYS 17 -7.292 -0.580 -8.941
140 HG3 LYS 17 HG1 LYS 17 -6.782 0.465 -10.260
141 HD2 LYS 17 HD2 LYS 17 -7.229 -2.529 -10.534
142 HD3 LYS 17 HD1 LYS 17 -8.440 -1.315 -10.930
143 HE2 LYS 17 HE2 LYS 17 -5.780 -1.800 -12.298
144 HE3 LYS 17 HE1 LYS 17 -7.390 -1.859 -13.003
145 HZ1 LYS 17 HZ1 LYS 17 -5.766 0.473 -12.285
146 HZ2 LYS 17 HZ2 LYS 17 -7.458 0.605 -12.207
147 HZ3 LYS 17 HZ3 LYS 17 -6.702 0.192 -13.672
148 H GLU 18 HN GLU 18 -4.308 -2.337 -7.232
149 HA GLU 18 HA GLU 18 -6.582 -2.361 -5.502
150 HB2 GLU 18 HB2 GLU 18 -4.016 -3.956 -5.586
151 HB3 GLU 18 HB1 GLU 18 -5.228 -4.231 -4.331
152 HG2 GLU 18 HG2 GLU 18 -6.908 -4.776 -5.990
153 HG3 GLU 18 HG1 GLU 18 -5.823 -4.327 -7.303
154 H LEU 19 HN LEU 19 -3.331 -1.096 -5.174
155 HA LEU 19 HA LEU 19 -3.431 -0.758 -2.303
156 HB2 LEU 19 HB2 LEU 19 -1.307 -0.798 -3.459
157 HB3 LEU 19 HB1 LEU 19 -1.780 0.569 -4.446
158 HG LEU 19 HG LEU 19 -1.953 1.825 -2.161
159 HD11 LEU 19 HD11 LEU 19 -0.617 1.054 -0.358
160 HD12 LEU 19 HD12 LEU 19 0.045 -0.258 -1.326
161 HD13 LEU 19 HD13 LEU 19 -1.639 -0.302 -0.814
162 HD21 LEU 19 HD21 LEU 19 -0.305 2.457 -3.786
163 HD22 LEU 19 HD22 LEU 19 0.670 1.036 -3.413
164 HD23 LEU 19 HD23 LEU 19 0.511 2.335 -2.229
165 H ARG 20 HN ARG 20 -4.341 1.255 -5.081
166 HA ARG 20 HA ARG 20 -4.848 3.678 -3.647
167 HB2 ARG 20 HB2 ARG 20 -6.084 2.513 -6.157
168 HB3 ARG 20 HB1 ARG 20 -6.506 4.114 -5.551
169 HG2 ARG 20 HG2 ARG 20 -4.218 4.878 -5.778
170 HG3 ARG 20 HG1 ARG 20 -3.668 3.254 -6.192
171 HD2 ARG 20 HD2 ARG 20 -5.078 3.299 -8.220
172 HD3 ARG 20 HD1 ARG 20 -5.603 4.933 -7.813
173 HE ARG 20 HE ARG 20 -2.830 5.108 -7.854
174 HH11 ARG 20 HH21 ARG 20 -5.300 4.022 -10.011
175 HH12 ARG 20 HH22 ARG 20 -4.416 4.440 -11.440
176 HH21 ARG 20 HH11 ARG 20 -1.670 5.658 -9.709
177 HH22 ARG 20 HH12 ARG 20 -2.363 5.365 -11.270
178 H ASP 21 HN ASP 21 -6.774 0.834 -4.237
179 HA ASP 21 HA ASP 21 -9.160 1.822 -2.983
180 HB2 ASP 21 HB2 ASP 21 -9.255 0.042 -4.679
181 HB3 ASP 21 HB1 ASP 21 -8.340 -1.023 -3.615
182 H PHE 22 HN PHE 22 -6.695 -0.562 -1.979
183 HA PHE 22 HA PHE 22 -7.736 -0.944 0.615
184 HB2 PHE 22 HB2 PHE 22 -5.066 -1.361 -0.682
185 HB3 PHE 22 HB1 PHE 22 -5.134 -1.458 1.068
186 HD1 PHE 22 HD2 PHE 22 -7.663 -2.527 -1.491
187 HD2 PHE 22 HD1 PHE 22 -4.917 -3.770 1.579
188 HE1 PHE 22 HE2 PHE 22 -8.509 -4.840 -1.663
189 HE2 PHE 22 HE1 PHE 22 -5.768 -6.076 1.397
190 HZ PHE 22 HZ PHE 22 -7.566 -6.622 -0.221
191 H ILE 23 HN ILE 23 -5.895 1.608 -0.785
192 HA ILE 23 HA ILE 23 -4.922 2.780 1.662
193 HB ILE 23 HB ILE 23 -5.247 3.602 -1.198
194 HG12 ILE 23 HG12 ILE 23 -2.974 4.011 0.786
195 HG13 ILE 23 HG11 ILE 23 -3.155 2.580 -0.224
196 HG21 ILE 23 HG21 ILE 23 -6.208 5.572 -0.286
197 HG22 ILE 23 HG22 ILE 23 -4.526 5.983 -0.583
198 HG23 ILE 23 HG23 ILE 23 -5.060 5.602 1.054
199 HD11 ILE 23 HD11 ILE 23 -2.980 3.972 -2.239
200 HD12 ILE 23 HD12 ILE 23 -1.569 4.198 -1.215
201 HD13 ILE 23 HD13 ILE 23 -2.843 5.417 -1.247
202 H GLU 24 HN GLU 24 -7.845 3.033 -0.230
203 HA GLU 24 HA GLU 24 -9.035 5.161 1.230
204 HB2 GLU 24 HB2 GLU 24 -10.356 2.868 -0.246
205 HB3 GLU 24 HB1 GLU 24 -11.252 4.201 0.464
206 HG2 GLU 24 HG2 GLU 24 -10.009 5.805 -0.925
207 HG3 GLU 24 HG1 GLU 24 -9.083 4.484 -1.637
208 H LYS 25 HN LYS 25 -8.633 1.773 1.926
209 HA LYS 25 HA LYS 25 -10.539 1.718 4.142
210 HB2 LYS 25 HB2 LYS 25 -9.916 -0.348 2.930
211 HB3 LYS 25 HB1 LYS 25 -8.253 -0.163 3.479
212 HG2 LYS 25 HG2 LYS 25 -8.876 -0.489 5.779
213 HG3 LYS 25 HG1 LYS 25 -10.592 -0.373 5.396
214 HD2 LYS 25 HD2 LYS 25 -9.996 -2.717 5.711
215 HD3 LYS 25 HD1 LYS 25 -10.403 -2.439 4.020
216 HE2 LYS 25 HE2 LYS 25 -8.121 -2.528 3.343
217 HE3 LYS 25 HE1 LYS 25 -7.534 -2.311 4.994
218 HZ1 LYS 25 HZ1 LYS 25 -7.707 -4.475 5.403
219 HZ2 LYS 25 HZ2 LYS 25 -7.855 -4.686 3.724
220 HZ3 LYS 25 HZ3 LYS 25 -9.245 -4.593 4.698
221 H PHE 26 HN PHE 26 -6.951 1.905 3.911
222 HA PHE 26 HA PHE 26 -6.517 2.075 6.740
223 HB2 PHE 26 HB2 PHE 26 -4.771 3.513 4.716
224 HB3 PHE 26 HB1 PHE 26 -4.294 2.793 6.247
225 HD1 PHE 26 HD1 PHE 26 -5.774 0.083 5.895
226 HD2 PHE 26 HD2 PHE 26 -3.252 2.379 3.258
227 HE1 PHE 26 HE1 PHE 26 -5.118 -1.980 4.716
228 HE2 PHE 26 HE2 PHE 26 -2.612 0.293 2.068
229 HZ PHE 26 HZ PHE 26 -3.542 -1.882 2.814
230 H11A DNS 27 H22 DNS 27 2.246 3.926 7.491
231 H12 DNS 27 H23 DNS 27 2.525 4.328 5.794
232 H13 DNS 27 H24 DNS 27 2.781 2.666 6.366
233 H21 DNS 27 H21 DNS 27 -0.660 2.148 7.359
234 H22 DNS 27 H19 DNS 27 -0.739 3.908 7.547
235 H23 DNS 27 H20 DNS 27 0.595 3.007 8.273
236 H4 DNS 27 H14 DNS 27 -0.143 2.621 3.745
237 H5 DNS 27 H15 DNS 27 -1.140 4.238 2.122
238 H6 DNS 27 H16 DNS 27 -1.382 6.651 2.730
239 HZ DNS 27 HZ1 DNS 27 -3.310 8.352 4.738
240 HE3 DNS 27 HE1 DNS 27 -3.238 8.883 2.087
241 HE2 DNS 27 HE2 DNS 27 -3.420 7.138 2.172
242 HD3 DNS 27 HD1 DNS 27 -5.214 9.240 3.396
243 HD2 DNS 27 HD2 DNS 27 -5.622 8.063 2.145
244 HG3 DNS 27 HG1 DNS 27 -5.122 6.245 3.852
245 HG2 DNS 27 HG2 DNS 27 -5.009 7.517 5.068
246 HB3 DNS 27 HB1 DNS 27 -7.331 8.246 4.424
247 HB2 DNS 27 HB2 DNS 27 -7.432 6.835 3.370
248 HA DNS 27 HA DNS 27 -6.895 6.735 6.355
249 H DNS 27 HN DNS 27 -6.871 4.641 4.286
250 H9 DNS 27 H9 DNS 27 -0.362 9.299 6.596
251 H10 DNS 27 H10 DNS 27 0.635 7.710 8.237
252 H11 DNS 27 H11 DNS 27 0.896 5.303 7.665
253 H GLY 28 HN GLY 28 -8.833 5.333 7.302
254 HA2 GLY 28 HA2 GLY 28 -11.202 6.898 7.053
255 HA3 GLY 28 HA1 GLY 28 -11.404 5.428 6.098
256 H ARG 29 HN ARG 29 -9.983 6.191 9.299
257 HA ARG 29 HA ARG 29 -10.224 5.087 11.355
258 HB2 ARG 29 HB2 ARG 29 -13.014 4.438 10.358
259 HB3 ARG 29 HB1 ARG 29 -12.482 4.610 12.031
260 HG2 ARG 29 HG2 ARG 29 -12.562 6.820 9.949
261 HG3 ARG 29 HG1 ARG 29 -13.681 6.626 11.296
262 HD2 ARG 29 HD2 ARG 29 -12.156 8.212 12.138
263 HD3 ARG 29 HD1 ARG 29 -11.500 6.707 12.781
264 HE ARG 29 HE ARG 29 -10.228 7.025 10.322
265 HH11 ARG 29 HH21 ARG 29 -10.668 8.896 13.192
266 HH12 ARG 29 HH22 ARG 29 -9.158 9.729 13.036
267 HH21 ARG 29 HH11 ARG 29 -8.257 8.105 10.108
268 HH22 ARG 29 HH12 ARG 29 -7.795 9.281 11.292
Start of MODEL 17
1 H1 GLY 1 HT1 GLY 1 10.609 2.297 -11.381
2 H2 GLY 1 HT2 GLY 1 9.690 3.582 -12.003
3 H3 GLY 1 HT3 GLY 1 8.933 2.122 -11.582
4 HA2 GLY 1 HA2 GLY 1 9.521 4.477 -9.972
5 HA3 GLY 1 HA1 GLY 1 8.628 2.987 -9.546
6 H GLN 2 HN GLN 2 10.172 4.244 -7.673
7 HA GLN 2 HA GLN 2 11.834 2.060 -6.809
8 HB2 GLN 2 HB2 GLN 2 10.461 4.179 -5.126
9 HB3 GLN 2 HB1 GLN 2 11.836 3.189 -4.636
10 HG2 GLN 2 HG2 GLN 2 13.214 4.178 -6.400
11 HG3 GLN 2 HG1 GLN 2 11.839 5.120 -6.975
12 HE21 GLN 2 HE21 GLN 2 14.571 5.788 -5.512
13 HE22 GLN 2 HE22 GLN 2 14.081 6.889 -4.316
14 H GLN 3 HN GLN 3 11.296 0.223 -5.658
15 HA GLN 3 HA GLN 3 8.521 -0.581 -5.541
16 HB2 GLN 3 HB2 GLN 3 10.419 -2.182 -5.803
17 HB3 GLN 3 HB1 GLN 3 10.911 -1.828 -4.147
18 HG2 GLN 3 HG2 GLN 3 8.814 -2.678 -3.278
19 HG3 GLN 3 HG1 GLN 3 8.171 -2.879 -4.909
20 HE21 GLN 3 HE21 GLN 3 7.920 -5.233 -4.380
21 HE22 GLN 3 HE22 GLN 3 9.274 -6.252 -4.450
22 H TYR 4 HN TYR 4 7.156 -0.651 -3.764
23 HA TYR 4 HA TYR 4 7.525 1.278 -1.730
24 HB2 TYR 4 HB2 TYR 4 5.508 -0.450 -0.768
25 HB3 TYR 4 HB1 TYR 4 5.248 0.975 -1.759
26 HD1 TYR 4 HD1 TYR 4 6.590 -2.496 -2.378
27 HD2 TYR 4 HD2 TYR 4 3.788 0.544 -3.581
28 HE1 TYR 4 HE1 TYR 4 5.828 -3.931 -4.238
29 HE2 TYR 4 HE2 TYR 4 3.027 -0.907 -5.435
30 HH TYR 4 HH TYR 4 4.614 -4.000 -6.127
31 H THR 5 HN THR 5 8.667 1.153 0.145
32 HA THR 5 HA THR 5 9.402 -1.565 1.243
33 HB THR 5 HB THR 5 11.501 -0.662 1.899
34 HG1 THR 5 HG1 THR 5 11.817 1.681 1.436
35 HG21 THR 5 HG21 THR 5 10.972 0.710 -0.737
36 HG22 THR 5 HG22 THR 5 11.155 -1.041 -0.610
37 HG23 THR 5 HG23 THR 5 12.492 0.024 -0.170
38 H ALA 6 HN ALA 6 8.171 1.620 1.947
39 HA ALA 6 HA ALA 6 7.998 0.997 4.889
40 HB1 ALA 6 HB1 ALA 6 7.793 3.686 3.482
41 HB2 ALA 6 HB2 ALA 6 9.279 3.054 4.206
42 HB3 ALA 6 HB3 ALA 6 7.881 3.400 5.223
43 H1 NAL 7 H1 NAL 7 3.227 4.822 1.347
44 H3 NAL 7 H3 NAL 7 6.242 2.275 -0.336
45 H4 NAL 7 H4 NAL 7 7.351 4.222 -1.395
46 H5 NAL 7 H5 NAL 7 7.432 6.767 -1.828
47 H6 NAL 7 H6 NAL 7 6.450 9.018 -1.495
48 H7 NAL 7 H7 NAL 7 4.392 9.303 -0.138
49 H8 NAL 7 H8 NAL 7 3.291 7.336 0.899
50 H91 NAL 7 H91 NAL 7 2.916 2.427 0.966
51 H92 NAL 7 H92 NAL 7 4.350 1.416 0.780
52 H10 NAL 7 H10 NAL 7 3.900 3.375 3.064
53 HN1 NAL 7 HN1 NAL 7 6.319 2.622 2.256
54 H ILE 8 HN ILE 8 4.495 -0.070 2.435
55 HA ILE 8 HA ILE 8 2.511 -0.761 4.531
56 HB ILE 8 HB ILE 8 1.550 -2.401 2.617
57 HG12 ILE 8 HG12 ILE 8 1.363 -1.233 0.455
58 HG13 ILE 8 HG11 ILE 8 2.370 0.081 1.045
59 HG21 ILE 8 HG21 ILE 8 0.755 0.528 2.766
60 HG22 ILE 8 HG22 ILE 8 0.227 -0.718 3.907
61 HG23 ILE 8 HG23 ILE 8 -0.257 -0.808 2.214
62 HD11 ILE 8 HD11 ILE 8 3.327 -2.779 0.900
63 HD12 ILE 8 HD12 ILE 8 4.301 -1.322 1.102
64 HD13 ILE 8 HD13 ILE 8 3.501 -1.650 -0.431
65 H LYS 9 HN LYS 9 3.682 -2.061 5.777
66 HA LYS 9 HA LYS 9 5.718 -3.846 4.634
67 HB2 LYS 9 HB2 LYS 9 5.071 -3.030 7.474
68 HB3 LYS 9 HB1 LYS 9 6.265 -4.266 7.085
69 HG2 LYS 9 HG2 LYS 9 7.646 -2.707 5.899
70 HG3 LYS 9 HG1 LYS 9 6.386 -1.477 5.895
71 HD2 LYS 9 HD2 LYS 9 8.055 -0.927 7.591
72 HD3 LYS 9 HD1 LYS 9 6.532 -1.344 8.375
73 HE2 LYS 9 HE2 LYS 9 7.344 -3.478 9.056
74 HE3 LYS 9 HE1 LYS 9 8.704 -3.413 7.932
75 HZ1 LYS 9 HZ1 LYS 9 8.346 -2.048 10.502
76 HZ2 LYS 9 HZ2 LYS 9 9.282 -1.292 9.303
77 HZ3 LYS 9 HZ3 LYS 9 9.714 -2.833 9.875
78 H GLY 10 HN GLY 10 5.654 -6.069 4.795
79 HA2 GLY 10 HA2 GLY 10 4.811 -8.215 5.229
80 HA3 GLY 10 HA1 GLY 10 3.681 -7.497 6.371
81 H ARG 11 HN ARG 11 2.776 -5.646 4.047
82 HA ARG 11 HA ARG 11 1.218 -7.661 2.442
83 HB2 ARG 11 HB2 ARG 11 0.067 -5.174 3.747
84 HB3 ARG 11 HB1 ARG 11 -0.811 -6.335 2.751
85 HG2 ARG 11 HG2 ARG 11 -0.245 -8.117 4.402
86 HG3 ARG 11 HG1 ARG 11 0.506 -6.898 5.425
87 HD2 ARG 11 HD2 ARG 11 -1.846 -5.676 5.180
88 HD3 ARG 11 HD1 ARG 11 -2.422 -7.300 4.811
89 HE ARG 11 HE ARG 11 -1.839 -6.276 7.405
90 HH11 ARG 11 HH21 ARG 11 -1.225 -9.081 5.484
91 HH12 ARG 11 HH22 ARG 11 -0.766 -10.056 6.836
92 HH21 ARG 11 HH11 ARG 11 -1.271 -7.544 9.163
93 HH22 ARG 11 HH12 ARG 11 -0.801 -9.193 8.914
94 H THR 12 HN THR 12 2.315 -7.208 0.507
95 HA THR 12 HA THR 12 2.320 -4.408 -0.452
96 HB THR 12 HB THR 12 3.865 -5.817 -2.274
97 HG1 THR 12 HG1 THR 12 4.297 -7.633 -1.345
98 HG21 THR 12 HG21 THR 12 5.813 -4.858 -1.116
99 HG22 THR 12 HG22 THR 12 4.828 -4.559 0.316
100 HG23 THR 12 HG23 THR 12 4.491 -3.691 -1.181
101 H PHE 13 HN PHE 13 1.777 -4.069 -2.706
102 HA PHE 13 HA PHE 13 -0.325 -5.983 -3.693
103 HB2 PHE 13 HB2 PHE 13 -0.176 -2.975 -4.053
104 HB3 PHE 13 HB1 PHE 13 -1.505 -4.031 -4.540
105 HD1 PHE 13 HD1 PHE 13 0.390 -2.721 -1.597
106 HD2 PHE 13 HD2 PHE 13 -3.157 -4.739 -2.947
107 HE1 PHE 13 HE1 PHE 13 -0.557 -2.622 0.690
108 HE2 PHE 13 HE2 PHE 13 -4.110 -4.587 -0.670
109 HZ PHE 13 HZ PHE 13 -2.801 -3.515 1.140
110 H ARG 14 HN ARG 14 -0.043 -6.732 -5.747
111 HA ARG 14 HA ARG 14 2.391 -6.169 -7.187
112 HB2 ARG 14 HB2 ARG 14 -0.207 -7.495 -8.044
113 HB3 ARG 14 HB1 ARG 14 1.210 -7.386 -9.088
114 HG2 ARG 14 HG2 ARG 14 2.544 -8.646 -7.465
115 HG3 ARG 14 HG1 ARG 14 1.179 -8.698 -6.350
116 HD2 ARG 14 HD2 ARG 14 1.286 -10.806 -7.555
117 HD3 ARG 14 HD1 ARG 14 -0.137 -9.914 -8.095
118 HE ARG 14 HE ARG 14 1.840 -9.156 -9.888
119 HH11 ARG 14 HH21 ARG 14 0.525 -12.135 -8.737
120 HH12 ARG 14 HH22 ARG 14 0.815 -12.985 -10.219
121 HH21 ARG 14 HH11 ARG 14 2.223 -10.251 -11.823
122 HH22 ARG 14 HH12 ARG 14 1.776 -11.919 -11.964
123 H ASN 15 HN ASN 15 -0.958 -5.096 -7.474
124 HA ASN 15 HA ASN 15 -0.148 -2.988 -9.455
125 HB2 ASN 15 HB2 ASN 15 -2.768 -2.744 -9.546
126 HB3 ASN 15 HB1 ASN 15 -1.996 -4.064 -10.430
127 HD21 ASN 15 HD21 ASN 15 -4.261 -5.042 -10.137
128 HD22 ASN 15 HD22 ASN 15 -4.553 -5.922 -8.714
129 H GLU 16 HN GLU 16 -0.006 -0.955 -8.699
130 HA GLU 16 HA GLU 16 -0.490 -0.357 -5.956
131 HB2 GLU 16 HB2 GLU 16 1.075 0.988 -7.289
132 HB3 GLU 16 HB1 GLU 16 -0.237 1.502 -8.349
133 HG2 GLU 16 HG2 GLU 16 -1.298 2.741 -6.572
134 HG3 GLU 16 HG1 GLU 16 -0.201 2.063 -5.371
135 H LYS 17 HN LYS 17 -2.536 -0.508 -8.712
136 HA LYS 17 HA LYS 17 -4.611 1.240 -8.054
137 HB2 LYS 17 HB2 LYS 17 -4.346 -0.278 -10.131
138 HB3 LYS 17 HB1 LYS 17 -5.064 -1.545 -9.155
139 HG2 LYS 17 HG2 LYS 17 -7.096 -0.748 -9.888
140 HG3 LYS 17 HG1 LYS 17 -6.863 0.562 -8.744
141 HD2 LYS 17 HD2 LYS 17 -5.937 0.635 -11.642
142 HD3 LYS 17 HD1 LYS 17 -7.452 1.320 -11.064
143 HE2 LYS 17 HE2 LYS 17 -5.967 3.167 -11.091
144 HE3 LYS 17 HE1 LYS 17 -5.976 2.675 -9.400
145 HZ1 LYS 17 HZ1 LYS 17 -3.846 2.045 -9.505
146 HZ2 LYS 17 HZ2 LYS 17 -3.773 2.981 -10.919
147 HZ3 LYS 17 HZ3 LYS 17 -4.024 1.305 -11.021
148 H GLU 18 HN GLU 18 -4.092 -2.115 -6.999
149 HA GLU 18 HA GLU 18 -6.410 -2.231 -5.334
150 HB2 GLU 18 HB2 GLU 18 -3.856 -3.843 -5.328
151 HB3 GLU 18 HB1 GLU 18 -5.268 -4.225 -4.338
152 HG2 GLU 18 HG2 GLU 18 -6.645 -4.512 -6.316
153 HG3 GLU 18 HG1 GLU 18 -5.327 -3.976 -7.356
154 H LEU 19 HN LEU 19 -3.095 -1.169 -4.778
155 HA LEU 19 HA LEU 19 -3.375 -1.002 -1.909
156 HB2 LEU 19 HB2 LEU 19 -1.148 -1.033 -2.752
157 HB3 LEU 19 HB1 LEU 19 -1.481 0.243 -3.899
158 HG LEU 19 HG LEU 19 -1.658 1.856 -2.018
159 HD11 LEU 19 HD11 LEU 19 -0.758 -0.459 -0.313
160 HD12 LEU 19 HD12 LEU 19 -2.350 0.276 -0.229
161 HD13 LEU 19 HD13 LEU 19 -0.927 1.201 0.225
162 HD21 LEU 19 HD21 LEU 19 0.487 1.544 -3.147
163 HD22 LEU 19 HD22 LEU 19 0.875 0.215 -2.057
164 HD23 LEU 19 HD23 LEU 19 0.738 1.858 -1.431
165 H ARG 20 HN ARG 20 -4.081 1.130 -4.622
166 HA ARG 20 HA ARG 20 -4.558 3.530 -3.149
167 HB2 ARG 20 HB2 ARG 20 -4.398 3.377 -5.652
168 HB3 ARG 20 HB1 ARG 20 -5.980 2.599 -5.658
169 HG2 ARG 20 HG2 ARG 20 -6.973 4.591 -4.590
170 HG3 ARG 20 HG1 ARG 20 -5.389 5.370 -4.567
171 HD2 ARG 20 HD2 ARG 20 -5.295 5.203 -7.041
172 HD3 ARG 20 HD1 ARG 20 -6.907 4.487 -7.039
173 HE ARG 20 HE ARG 20 -7.232 6.871 -5.651
174 HH11 ARG 20 HH21 ARG 20 -5.952 5.921 -8.715
175 HH12 ARG 20 HH22 ARG 20 -6.382 7.403 -9.500
176 HH21 ARG 20 HH11 ARG 20 -7.798 8.806 -6.665
177 HH22 ARG 20 HH12 ARG 20 -7.426 9.035 -8.341
178 H ASP 21 HN ASP 21 -6.498 0.738 -3.872
179 HA ASP 21 HA ASP 21 -8.940 1.753 -2.757
180 HB2 ASP 21 HB2 ASP 21 -8.065 -1.061 -3.447
181 HB3 ASP 21 HB1 ASP 21 -9.690 -0.638 -2.911
182 H PHE 22 HN PHE 22 -6.557 -0.665 -1.637
183 HA PHE 22 HA PHE 22 -7.741 -1.009 0.908
184 HB2 PHE 22 HB2 PHE 22 -5.029 -1.527 -0.256
185 HB3 PHE 22 HB1 PHE 22 -5.174 -1.587 1.494
186 HD1 PHE 22 HD2 PHE 22 -7.607 -2.620 -1.174
187 HD2 PHE 22 HD1 PHE 22 -5.077 -3.892 2.062
188 HE1 PHE 22 HE2 PHE 22 -8.524 -4.904 -1.348
189 HE2 PHE 22 HE1 PHE 22 -5.999 -6.172 1.879
190 HZ PHE 22 HZ PHE 22 -7.725 -6.688 0.176
191 H ILE 23 HN ILE 23 -5.760 1.487 -0.414
192 HA ILE 23 HA ILE 23 -4.850 2.645 2.052
193 HB ILE 23 HB ILE 23 -5.070 3.469 -0.808
194 HG12 ILE 23 HG12 ILE 23 -2.910 3.836 1.307
195 HG13 ILE 23 HG11 ILE 23 -2.999 2.505 0.166
196 HG21 ILE 23 HG21 ILE 23 -4.977 5.510 1.415
197 HG22 ILE 23 HG22 ILE 23 -6.112 5.428 0.065
198 HG23 ILE 23 HG23 ILE 23 -4.441 5.866 -0.225
199 HD11 ILE 23 HD11 ILE 23 -2.944 4.360 -1.656
200 HD12 ILE 23 HD12 ILE 23 -1.447 3.963 -0.824
201 HD13 ILE 23 HD13 ILE 23 -2.365 5.395 -0.360
202 H GLU 24 HN GLU 24 -7.709 2.975 0.087
203 HA GLU 24 HA GLU 24 -8.928 5.063 1.596
204 HB2 GLU 24 HB2 GLU 24 -10.213 2.856 -0.033
205 HB3 GLU 24 HB1 GLU 24 -11.123 4.166 0.699
206 HG2 GLU 24 HG2 GLU 24 -8.809 4.623 -1.210
207 HG3 GLU 24 HG1 GLU 24 -10.491 4.543 -1.726
208 H LYS 25 HN LYS 25 -8.527 1.666 2.141
209 HA LYS 25 HA LYS 25 -10.536 1.415 4.227
210 HB2 LYS 25 HB2 LYS 25 -9.263 -0.410 2.753
211 HB3 LYS 25 HB1 LYS 25 -8.103 -0.385 4.074
212 HG2 LYS 25 HG2 LYS 25 -11.069 -1.019 4.257
213 HG3 LYS 25 HG1 LYS 25 -9.728 -2.138 4.491
214 HD2 LYS 25 HD2 LYS 25 -8.980 -0.597 6.417
215 HD3 LYS 25 HD1 LYS 25 -10.564 0.165 6.273
216 HE2 LYS 25 HE2 LYS 25 -10.658 -1.569 7.986
217 HE3 LYS 25 HE1 LYS 25 -11.635 -2.059 6.602
218 HZ1 LYS 25 HZ1 LYS 25 -8.913 -2.874 6.339
219 HZ2 LYS 25 HZ2 LYS 25 -10.332 -3.803 6.240
220 HZ3 LYS 25 HZ3 LYS 25 -9.615 -3.499 7.751
221 H PHE 26 HN PHE 26 -6.957 1.815 4.246
222 HA PHE 26 HA PHE 26 -6.742 1.968 7.110
223 HB2 PHE 26 HB2 PHE 26 -4.885 3.476 5.248
224 HB3 PHE 26 HB1 PHE 26 -4.502 2.694 6.777
225 HD1 PHE 26 HD1 PHE 26 -5.924 -0.004 6.233
226 HD2 PHE 26 HD2 PHE 26 -3.285 2.406 3.826
227 HE1 PHE 26 HE1 PHE 26 -5.193 -2.017 5.009
228 HE2 PHE 26 HE2 PHE 26 -2.564 0.374 2.596
229 HZ PHE 26 HZ PHE 26 -3.514 -1.835 3.197
230 H11A DNS 27 H22 DNS 27 2.192 5.210 5.525
231 H12 DNS 27 H23 DNS 27 2.318 3.469 5.249
232 H13 DNS 27 H24 DNS 27 1.382 4.083 6.630
233 H21 DNS 27 H21 DNS 27 -0.656 2.935 5.923
234 H22 DNS 27 H19 DNS 27 0.308 2.197 4.631
235 H23 DNS 27 H20 DNS 27 -1.180 3.060 4.230
236 H4 DNS 27 H14 DNS 27 -0.745 4.837 7.126
237 H5 DNS 27 H15 DNS 27 -2.139 6.873 7.564
238 H6 DNS 27 H16 DNS 27 -2.504 8.564 5.751
239 HZ DNS 27 HZ1 DNS 27 -4.413 9.269 4.527
240 HE3 DNS 27 HE1 DNS 27 -4.374 9.205 1.900
241 HE2 DNS 27 HE2 DNS 27 -3.990 7.530 2.268
242 HD3 DNS 27 HD1 DNS 27 -6.436 9.094 3.108
243 HD2 DNS 27 HD2 DNS 27 -6.368 7.659 2.084
244 HG3 DNS 27 HG1 DNS 27 -5.561 6.330 3.996
245 HG2 DNS 27 HG2 DNS 27 -5.617 7.763 5.024
246 HB3 DNS 27 HB1 DNS 27 -8.059 7.961 4.552
247 HB2 DNS 27 HB2 DNS 27 -7.978 6.460 3.630
248 HA DNS 27 HA DNS 27 -7.132 6.670 6.538
249 H DNS 27 HN DNS 27 -7.028 4.505 4.621
250 H9 DNS 27 H9 DNS 27 -1.091 8.958 1.169
251 H10 DNS 27 H10 DNS 27 0.298 6.927 0.737
252 H11 DNS 27 H11 DNS 27 0.666 5.242 2.550
253 H GLY 28 HN GLY 28 -9.789 6.891 4.420
254 HA2 GLY 28 HA2 GLY 28 -11.943 5.580 5.428
255 HA3 GLY 28 HA1 GLY 28 -11.673 6.786 6.691
256 H ARG 29 HN ARG 29 -10.967 9.016 5.357
257 HA ARG 29 HA ARG 29 -13.484 9.791 4.031
258 HB2 ARG 29 HB2 ARG 29 -10.971 11.353 4.703
259 HB3 ARG 29 HB1 ARG 29 -12.431 12.059 4.006
260 HG2 ARG 29 HG2 ARG 29 -13.728 11.211 5.955
261 HG3 ARG 29 HG1 ARG 29 -12.232 10.625 6.672
262 HD2 ARG 29 HD2 ARG 29 -11.417 13.120 6.330
263 HD3 ARG 29 HD1 ARG 29 -13.141 13.480 6.275
264 HE ARG 29 HE ARG 29 -11.598 12.980 8.624
265 HH11 ARG 29 HH21 ARG 29 -14.616 12.079 7.203
266 HH12 ARG 29 HH22 ARG 29 -15.269 11.472 8.685
267 HH21 ARG 29 HH11 ARG 29 -12.452 12.216 10.551
268 HH22 ARG 29 HH12 ARG 29 -14.053 11.557 10.576
Start of MODEL 18
1 H1 GLY 1 HT1 GLY 1 12.008 -1.006 -10.413
2 H2 GLY 1 HT2 GLY 1 13.658 -1.171 -10.044
3 H3 GLY 1 HT3 GLY 1 12.588 -0.533 -8.889
4 HA2 GLY 1 HA2 GLY 1 11.692 -3.146 -9.865
5 HA3 GLY 1 HA1 GLY 1 13.266 -3.125 -9.014
6 H GLN 2 HN GLN 2 13.032 -1.042 -7.251
7 HA GLN 2 HA GLN 2 13.063 -2.942 -5.096
8 HB2 GLN 2 HB2 GLN 2 13.336 -1.047 -3.628
9 HB3 GLN 2 HB1 GLN 2 14.267 -0.732 -5.085
10 HG2 GLN 2 HG2 GLN 2 11.543 0.428 -4.396
11 HG3 GLN 2 HG1 GLN 2 13.072 1.290 -4.460
12 HE21 GLN 2 HE21 GLN 2 10.464 -0.009 -6.416
13 HE22 GLN 2 HE22 GLN 2 11.031 0.586 -7.902
14 H GLN 3 HN GLN 3 11.438 -3.638 -3.769
15 HA GLN 3 HA GLN 3 8.679 -3.022 -4.529
16 HB2 GLN 3 HB2 GLN 3 8.078 -4.625 -2.742
17 HB3 GLN 3 HB1 GLN 3 9.261 -5.299 -3.865
18 HG2 GLN 3 HG2 GLN 3 11.076 -4.625 -2.258
19 HG3 GLN 3 HG1 GLN 3 9.822 -4.148 -1.114
20 HE21 GLN 3 HE21 GLN 3 7.950 -6.268 -1.576
21 HE22 GLN 3 HE22 GLN 3 8.654 -7.724 -1.059
22 H TYR 4 HN TYR 4 7.141 -2.003 -3.214
23 HA TYR 4 HA TYR 4 8.048 0.224 -1.720
24 HB2 TYR 4 HB2 TYR 4 5.253 -0.461 -1.107
25 HB3 TYR 4 HB1 TYR 4 5.871 0.909 -2.002
26 HD1 TYR 4 HD2 TYR 4 7.031 0.082 -4.382
27 HD2 TYR 4 HD1 TYR 4 3.697 -1.742 -2.364
28 HE1 TYR 4 HE2 TYR 4 6.267 -0.908 -6.520
29 HE2 TYR 4 HE1 TYR 4 2.944 -2.720 -4.500
30 HH TYR 4 HH TYR 4 4.274 -1.775 -7.535
31 H THR 5 HN THR 5 8.721 0.306 0.399
32 HA THR 5 HA THR 5 7.975 -1.970 2.248
33 HB THR 5 HB THR 5 10.137 -1.836 3.197
34 HG1 THR 5 HG1 THR 5 11.009 0.034 3.432
35 HG21 THR 5 HG21 THR 5 10.671 -1.117 0.311
36 HG22 THR 5 HG22 THR 5 10.051 -2.699 0.790
37 HG23 THR 5 HG23 THR 5 11.635 -2.162 1.354
38 H ALA 6 HN ALA 6 8.297 1.498 1.904
39 HA ALA 6 HA ALA 6 7.706 2.046 4.753
40 HB1 ALA 6 HB1 ALA 6 7.779 3.964 2.381
41 HB2 ALA 6 HB2 ALA 6 9.200 3.532 3.345
42 HB3 ALA 6 HB3 ALA 6 7.854 4.387 4.097
43 H1 NAL 7 H1 NAL 7 3.368 4.751 -0.295
44 H3 NAL 7 H3 NAL 7 6.740 2.102 -0.352
45 H4 NAL 7 H4 NAL 7 8.118 3.827 -1.488
46 H5 NAL 7 H5 NAL 7 8.325 6.186 -2.515
47 H6 NAL 7 H6 NAL 7 7.290 8.367 -3.070
48 H7 NAL 7 H7 NAL 7 4.919 8.819 -2.490
49 H8 NAL 7 H8 NAL 7 3.556 7.091 -1.351
50 H91 NAL 7 H91 NAL 7 3.130 2.454 0.069
51 H92 NAL 7 H92 NAL 7 4.534 1.404 0.282
52 H10 NAL 7 H10 NAL 7 3.893 3.803 2.038
53 HN1 NAL 7 HN1 NAL 7 6.320 2.659 1.623
54 H ILE 8 HN ILE 8 4.489 0.320 2.379
55 HA ILE 8 HA ILE 8 2.218 0.141 4.245
56 HB ILE 8 HB ILE 8 1.526 -1.961 2.732
57 HG12 ILE 8 HG12 ILE 8 1.734 -1.484 0.326
58 HG13 ILE 8 HG11 ILE 8 2.622 -0.002 0.661
59 HG21 ILE 8 HG21 ILE 8 0.788 0.870 1.903
60 HG22 ILE 8 HG22 ILE 8 0.071 0.009 3.272
61 HG23 ILE 8 HG23 ILE 8 -0.166 -0.589 1.632
62 HD11 ILE 8 HD11 ILE 8 3.949 -2.131 -0.017
63 HD12 ILE 8 HD12 ILE 8 3.665 -2.668 1.630
64 HD13 ILE 8 HD13 ILE 8 4.553 -1.166 1.325
65 H LYS 9 HN LYS 9 2.641 -1.276 5.784
66 HA LYS 9 HA LYS 9 5.246 -2.508 5.913
67 HB2 LYS 9 HB2 LYS 9 4.152 -1.430 7.889
68 HB3 LYS 9 HB1 LYS 9 2.987 -2.757 7.910
69 HG2 LYS 9 HG2 LYS 9 4.756 -4.377 8.289
70 HG3 LYS 9 HG1 LYS 9 5.991 -3.131 8.100
71 HD2 LYS 9 HD2 LYS 9 5.102 -1.948 10.077
72 HD3 LYS 9 HD1 LYS 9 3.876 -3.201 10.273
73 HE2 LYS 9 HE2 LYS 9 6.874 -3.650 10.369
74 HE3 LYS 9 HE1 LYS 9 5.801 -3.604 11.767
75 HZ1 LYS 9 HZ1 LYS 9 4.543 -5.453 10.705
76 HZ2 LYS 9 HZ2 LYS 9 6.122 -5.864 11.177
77 HZ3 LYS 9 HZ3 LYS 9 5.772 -5.564 9.542
78 H GLY 10 HN GLY 10 5.517 -4.340 4.716
79 HA2 GLY 10 HA2 GLY 10 5.364 -6.620 4.213
80 HA3 GLY 10 HA1 GLY 10 4.260 -6.780 5.573
81 H ARG 11 HN ARG 11 2.498 -4.626 4.165
82 HA ARG 11 HA ARG 11 1.006 -6.604 2.495
83 HB2 ARG 11 HB2 ARG 11 0.338 -3.927 3.750
84 HB3 ARG 11 HB1 ARG 11 -0.677 -4.569 2.463
85 HG2 ARG 11 HG2 ARG 11 -1.641 -5.240 4.573
86 HG3 ARG 11 HG1 ARG 11 -0.958 -6.675 3.817
87 HD2 ARG 11 HD2 ARG 11 0.984 -6.590 5.247
88 HD3 ARG 11 HD1 ARG 11 0.514 -5.010 5.877
89 HE ARG 11 HE ARG 11 -1.646 -6.639 6.488
90 HH11 ARG 11 HH21 ARG 11 1.766 -6.714 7.018
91 HH12 ARG 11 HH22 ARG 11 1.646 -7.581 8.512
92 HH21 ARG 11 HH11 ARG 11 -1.815 -7.769 8.433
93 HH22 ARG 11 HH12 ARG 11 -0.380 -8.178 9.313
94 H THR 12 HN THR 12 2.093 -6.647 0.500
95 HA THR 12 HA THR 12 2.487 -4.077 -0.921
96 HB THR 12 HB THR 12 3.821 -5.983 -2.441
97 HG1 THR 12 HG1 THR 12 3.278 -7.122 -0.152
98 HG21 THR 12 HG21 THR 12 5.879 -5.101 -1.406
99 HG22 THR 12 HG22 THR 12 4.926 -4.417 -0.087
100 HG23 THR 12 HG23 THR 12 4.727 -3.803 -1.727
101 H PHE 13 HN PHE 13 1.994 -4.088 -3.233
102 HA PHE 13 HA PHE 13 -0.227 -5.964 -3.997
103 HB2 PHE 13 HB2 PHE 13 -0.154 -2.962 -4.428
104 HB3 PHE 13 HB1 PHE 13 -1.472 -4.055 -4.859
105 HD1 PHE 13 HD1 PHE 13 0.516 -2.742 -1.964
106 HD2 PHE 13 HD2 PHE 13 -3.115 -4.673 -3.230
107 HE1 PHE 13 HE1 PHE 13 -0.389 -2.597 0.341
108 HE2 PHE 13 HE2 PHE 13 -4.012 -4.484 -0.935
109 HZ PHE 13 HZ PHE 13 -2.641 -3.435 0.842
110 H ARG 14 HN ARG 14 -0.031 -6.747 -6.044
111 HA ARG 14 HA ARG 14 2.345 -6.256 -7.581
112 HB2 ARG 14 HB2 ARG 14 0.857 -8.322 -7.800
113 HB3 ARG 14 HB1 ARG 14 -0.294 -7.313 -8.672
114 HG2 ARG 14 HG2 ARG 14 0.938 -8.257 -10.441
115 HG3 ARG 14 HG1 ARG 14 1.779 -6.730 -10.214
116 HD2 ARG 14 HD2 ARG 14 3.363 -8.611 -10.430
117 HD3 ARG 14 HD1 ARG 14 3.489 -7.874 -8.837
118 HE ARG 14 HE ARG 14 1.647 -9.928 -8.490
119 HH11 ARG 14 HH21 ARG 14 4.863 -9.617 -9.713
120 HH12 ARG 14 HH22 ARG 14 5.336 -11.216 -9.243
121 HH21 ARG 14 HH11 ARG 14 2.252 -12.014 -7.875
122 HH22 ARG 14 HH12 ARG 14 3.858 -12.571 -8.204
123 H ASN 15 HN ASN 15 -0.962 -5.051 -7.791
124 HA ASN 15 HA ASN 15 -0.095 -2.935 -9.745
125 HB2 ASN 15 HB2 ASN 15 -2.756 -2.632 -9.758
126 HB3 ASN 15 HB1 ASN 15 -1.976 -3.835 -10.787
127 HD21 ASN 15 HD21 ASN 15 -4.091 -5.005 -10.661
128 HD22 ASN 15 HD22 ASN 15 -4.415 -5.984 -9.313
129 H GLU 16 HN GLU 16 0.099 -0.916 -8.958
130 HA GLU 16 HA GLU 16 -0.353 -0.359 -6.196
131 HB2 GLU 16 HB2 GLU 16 0.041 1.466 -8.589
132 HB3 GLU 16 HB1 GLU 16 -0.113 2.084 -6.944
133 HG2 GLU 16 HG2 GLU 16 1.834 0.742 -6.247
134 HG3 GLU 16 HG1 GLU 16 1.990 0.108 -7.886
135 H LYS 17 HN LYS 17 -2.408 -0.406 -8.940
136 HA LYS 17 HA LYS 17 -4.424 1.392 -8.229
137 HB2 LYS 17 HB2 LYS 17 -4.109 -0.250 -10.317
138 HB3 LYS 17 HB1 LYS 17 -5.163 -1.301 -9.386
139 HG2 LYS 17 HG2 LYS 17 -6.733 -0.091 -10.659
140 HG3 LYS 17 HG1 LYS 17 -6.693 0.842 -9.167
141 HD2 LYS 17 HD2 LYS 17 -6.450 2.566 -10.739
142 HD3 LYS 17 HD1 LYS 17 -4.757 2.197 -10.434
143 HE2 LYS 17 HE2 LYS 17 -5.120 2.346 -12.836
144 HE3 LYS 17 HE1 LYS 17 -4.786 0.666 -12.425
145 HZ1 LYS 17 HZ1 LYS 17 -6.923 0.044 -12.808
146 HZ2 LYS 17 HZ2 LYS 17 -6.819 1.328 -13.916
147 HZ3 LYS 17 HZ3 LYS 17 -7.571 1.560 -12.409
148 H GLU 18 HN GLU 18 -4.011 -2.016 -7.280
149 HA GLU 18 HA GLU 18 -6.329 -2.133 -5.631
150 HB2 GLU 18 HB2 GLU 18 -3.790 -3.769 -5.614
151 HB3 GLU 18 HB1 GLU 18 -5.219 -4.159 -4.654
152 HG2 GLU 18 HG2 GLU 18 -5.269 -3.838 -7.669
153 HG3 GLU 18 HG1 GLU 18 -5.060 -5.390 -6.859
154 H LEU 19 HN LEU 19 -3.059 -1.032 -5.070
155 HA LEU 19 HA LEU 19 -3.277 -0.957 -2.177
156 HB2 LEU 19 HB2 LEU 19 -1.083 -1.025 -3.082
157 HB3 LEU 19 HB1 LEU 19 -1.421 0.265 -4.210
158 HG LEU 19 HG LEU 19 -1.559 1.826 -2.213
159 HD11 LEU 19 HD11 LEU 19 -1.940 0.054 -0.492
160 HD12 LEU 19 HD12 LEU 19 -0.591 1.117 -0.112
161 HD13 LEU 19 HD13 LEU 19 -0.287 -0.486 -0.767
162 HD21 LEU 19 HD21 LEU 19 1.040 0.359 -2.646
163 HD22 LEU 19 HD22 LEU 19 0.879 1.965 -1.937
164 HD23 LEU 19 HD23 LEU 19 0.440 1.697 -3.625
165 H ARG 20 HN ARG 20 -3.853 1.361 -4.812
166 HA ARG 20 HA ARG 20 -4.307 3.670 -3.211
167 HB2 ARG 20 HB2 ARG 20 -4.133 3.627 -5.724
168 HB3 ARG 20 HB1 ARG 20 -5.752 2.931 -5.772
169 HG2 ARG 20 HG2 ARG 20 -6.625 4.922 -4.568
170 HG3 ARG 20 HG1 ARG 20 -5.006 5.623 -4.583
171 HD2 ARG 20 HD2 ARG 20 -6.578 4.841 -7.053
172 HD3 ARG 20 HD1 ARG 20 -6.416 6.488 -6.440
173 HE ARG 20 HE ARG 20 -3.794 5.618 -6.718
174 HH11 ARG 20 HH21 ARG 20 -6.592 5.806 -8.736
175 HH12 ARG 20 HH22 ARG 20 -5.684 6.032 -10.194
176 HH21 ARG 20 HH11 ARG 20 -2.602 5.911 -8.612
177 HH22 ARG 20 HH12 ARG 20 -3.428 6.091 -10.124
178 H ASP 21 HN ASP 21 -6.370 1.018 -4.133
179 HA ASP 21 HA ASP 21 -8.765 2.063 -2.948
180 HB2 ASP 21 HB2 ASP 21 -8.861 0.441 -4.798
181 HB3 ASP 21 HB1 ASP 21 -8.084 -0.768 -3.780
182 H PHE 22 HN PHE 22 -6.524 -0.561 -2.013
183 HA PHE 22 HA PHE 22 -7.760 -1.063 0.474
184 HB2 PHE 22 HB2 PHE 22 -5.077 -1.636 -0.728
185 HB3 PHE 22 HB1 PHE 22 -5.216 -1.814 1.017
186 HD1 PHE 22 HD2 PHE 22 -7.621 -2.519 -1.773
187 HD2 PHE 22 HD1 PHE 22 -5.362 -4.131 1.509
188 HE1 PHE 22 HE2 PHE 22 -8.692 -4.723 -2.110
189 HE2 PHE 22 HE1 PHE 22 -6.436 -6.325 1.169
190 HZ PHE 22 HZ PHE 22 -8.105 -6.631 -0.640
191 H ILE 23 HN ILE 23 -5.652 1.435 -0.597
192 HA ILE 23 HA ILE 23 -4.726 2.324 1.979
193 HB ILE 23 HB ILE 23 -4.862 3.412 -0.807
194 HG12 ILE 23 HG12 ILE 23 -2.685 3.423 1.325
195 HG13 ILE 23 HG11 ILE 23 -2.878 2.188 0.086
196 HG21 ILE 23 HG21 ILE 23 -4.650 5.205 1.614
197 HG22 ILE 23 HG22 ILE 23 -5.754 5.350 0.243
198 HG23 ILE 23 HG23 ILE 23 -4.046 5.685 0.029
199 HD11 ILE 23 HD11 ILE 23 -2.551 3.940 -1.652
200 HD12 ILE 23 HD12 ILE 23 -1.152 3.760 -0.602
201 HD13 ILE 23 HD13 ILE 23 -2.257 5.115 -0.376
202 H GLU 24 HN GLU 24 -7.517 2.963 -0.014
203 HA GLU 24 HA GLU 24 -8.656 4.995 1.627
204 HB2 GLU 24 HB2 GLU 24 -10.013 3.017 -0.223
205 HB3 GLU 24 HB1 GLU 24 -10.863 4.322 0.590
206 HG2 GLU 24 HG2 GLU 24 -9.399 5.975 -0.493
207 HG3 GLU 24 HG1 GLU 24 -8.520 4.681 -1.304
208 H LYS 25 HN LYS 25 -8.500 1.535 1.916
209 HA LYS 25 HA LYS 25 -10.602 1.305 3.924
210 HB2 LYS 25 HB2 LYS 25 -9.806 -0.592 2.453
211 HB3 LYS 25 HB1 LYS 25 -8.313 -0.617 3.387
212 HG2 LYS 25 HG2 LYS 25 -9.633 -1.022 5.455
213 HG3 LYS 25 HG1 LYS 25 -11.107 -1.062 4.486
214 HD2 LYS 25 HD2 LYS 25 -10.264 -2.976 3.223
215 HD3 LYS 25 HD1 LYS 25 -8.738 -2.913 4.103
216 HE2 LYS 25 HE2 LYS 25 -10.334 -4.636 4.994
217 HE3 LYS 25 HE1 LYS 25 -9.853 -3.434 6.192
218 HZ1 LYS 25 HZ1 LYS 25 -12.415 -4.083 5.472
219 HZ2 LYS 25 HZ2 LYS 25 -12.134 -2.592 4.707
220 HZ3 LYS 25 HZ3 LYS 25 -11.936 -2.738 6.388
221 H PHE 26 HN PHE 26 -7.004 1.355 4.058
222 HA PHE 26 HA PHE 26 -6.840 1.162 6.909
223 HB2 PHE 26 HB2 PHE 26 -4.880 2.794 5.265
224 HB3 PHE 26 HB1 PHE 26 -4.565 1.850 6.715
225 HD1 PHE 26 HD1 PHE 26 -6.066 -0.727 5.871
226 HD2 PHE 26 HD2 PHE 26 -3.280 1.811 3.781
227 HE1 PHE 26 HE1 PHE 26 -5.368 -2.635 4.472
228 HE2 PHE 26 HE2 PHE 26 -2.596 -0.117 2.370
229 HZ PHE 26 HZ PHE 26 -3.635 -2.338 2.731
230 H11A DNS 27 H22 DNS 27 5.273 5.116 5.080
231 H12 DNS 27 H23 DNS 27 5.234 4.943 3.323
232 H13 DNS 27 H24 DNS 27 3.771 4.621 4.279
233 H21 DNS 27 H21 DNS 27 5.131 8.499 3.411
234 H22 DNS 27 H19 DNS 27 5.750 7.050 2.597
235 H23 DNS 27 H20 DNS 27 6.240 7.398 4.258
236 H4 DNS 27 H14 DNS 27 4.104 5.989 1.434
237 H5 DNS 27 H15 DNS 27 2.036 6.261 0.045
238 H6 DNS 27 H16 DNS 27 -0.043 7.223 1.059
239 HZ DNS 27 HZ1 DNS 27 -3.347 9.440 3.529
240 HE3 DNS 27 HE1 DNS 27 -2.786 6.784 4.478
241 HE2 DNS 27 HE2 DNS 27 -3.132 7.969 5.725
242 HD3 DNS 27 HD1 DNS 27 -5.219 8.587 4.528
243 HD2 DNS 27 HD2 DNS 27 -4.888 7.321 3.345
244 HG3 DNS 27 HG1 DNS 27 -5.015 5.605 5.048
245 HG2 DNS 27 HG2 DNS 27 -5.127 6.811 6.329
246 HB3 DNS 27 HB1 DNS 27 -7.271 7.605 5.370
247 HB2 DNS 27 HB2 DNS 27 -7.173 6.346 4.137
248 HA DNS 27 HA DNS 27 -7.185 5.825 7.128
249 H DNS 27 HN DNS 27 -6.900 4.037 4.791
250 H9 DNS 27 H9 DNS 27 -1.203 8.896 5.427
251 H10 DNS 27 H10 DNS 27 0.858 8.612 6.799
252 H11 DNS 27 H11 DNS 27 2.924 7.630 5.787
253 H GLY 28 HN GLY 28 -9.132 6.512 7.897
254 HA2 GLY 28 HA2 GLY 28 -11.454 6.921 6.254
255 HA3 GLY 28 HA1 GLY 28 -11.593 5.388 7.115
256 H ARG 29 HN ARG 29 -10.512 8.711 7.898
257 HA ARG 29 HA ARG 29 -12.137 8.588 10.437
258 HB2 ARG 29 HB2 ARG 29 -9.623 10.201 9.887
259 HB3 ARG 29 HB1 ARG 29 -10.491 10.115 11.414
260 HG2 ARG 29 HG2 ARG 29 -9.322 7.642 10.091
261 HG3 ARG 29 HG1 ARG 29 -8.377 8.643 11.185
262 HD2 ARG 29 HD2 ARG 29 -10.934 7.150 11.847
263 HD3 ARG 29 HD1 ARG 29 -9.321 6.820 12.460
264 HE ARG 29 HE ARG 29 -9.782 9.441 13.230
265 HH11 ARG 29 HH21 ARG 29 -11.423 6.420 13.561
266 HH12 ARG 29 HH22 ARG 29 -12.148 6.832 15.079
267 HH21 ARG 29 HH11 ARG 29 -10.722 9.989 15.208
268 HH22 ARG 29 HH12 ARG 29 -11.751 8.851 16.010
Start of MODEL 19
1 H1 GLY 1 HT1 GLY 1 10.994 3.313 -9.083
2 H2 GLY 1 HT2 GLY 1 11.034 3.047 -10.760
3 H3 GLY 1 HT3 GLY 1 12.465 3.421 -9.923
4 HA2 GLY 1 HA2 GLY 1 11.191 0.851 -10.433
5 HA3 GLY 1 HA1 GLY 1 12.751 1.225 -9.642
6 H GLN 2 HN GLN 2 12.099 2.754 -7.492
7 HA GLN 2 HA GLN 2 12.890 0.599 -5.762
8 HB2 GLN 2 HB2 GLN 2 13.370 3.027 -5.344
9 HB3 GLN 2 HB1 GLN 2 11.661 3.259 -4.974
10 HG2 GLN 2 HG2 GLN 2 11.801 1.681 -3.122
11 HG3 GLN 2 HG1 GLN 2 13.473 1.300 -3.533
12 HE21 GLN 2 HE21 GLN 2 15.102 3.045 -3.211
13 HE22 GLN 2 HE22 GLN 2 14.784 4.310 -2.127
14 H GLN 3 HN GLN 3 11.584 -1.001 -5.032
15 HA GLN 3 HA GLN 3 8.712 -0.902 -5.336
16 HB2 GLN 3 HB2 GLN 3 8.739 -3.039 -4.047
17 HB3 GLN 3 HB1 GLN 3 9.842 -3.046 -5.422
18 HG2 GLN 3 HG2 GLN 3 11.714 -2.445 -3.889
19 HG3 GLN 3 HG1 GLN 3 10.597 -2.546 -2.528
20 HE21 GLN 3 HE21 GLN 3 11.153 -4.469 -1.465
21 HE22 GLN 3 HE22 GLN 3 11.322 -5.976 -2.229
22 H TYR 4 HN TYR 4 7.143 -0.759 -3.705
23 HA TYR 4 HA TYR 4 7.625 1.157 -1.685
24 HB2 TYR 4 HB2 TYR 4 5.221 -0.493 -1.216
25 HB3 TYR 4 HB1 TYR 4 5.314 1.211 -1.584
26 HD1 TYR 4 HD2 TYR 4 6.440 1.507 -4.154
27 HD2 TYR 4 HD1 TYR 4 3.840 -1.637 -2.780
28 HE1 TYR 4 HE2 TYR 4 5.728 1.068 -6.484
29 HE2 TYR 4 HE1 TYR 4 3.136 -2.064 -5.113
30 HH TYR 4 HH TYR 4 4.396 -1.582 -7.536
31 H THR 5 HN THR 5 8.669 0.832 0.262
32 HA THR 5 HA THR 5 8.569 -1.909 1.538
33 HB THR 5 HB THR 5 10.780 -1.572 2.331
34 HG1 THR 5 HG1 THR 5 11.625 0.349 2.614
35 HG21 THR 5 HG21 THR 5 12.066 -1.330 0.344
36 HG22 THR 5 HG22 THR 5 10.900 -0.212 -0.356
37 HG23 THR 5 HG23 THR 5 10.501 -1.925 -0.216
38 H ALA 6 HN ALA 6 8.252 1.535 2.023
39 HA ALA 6 HA ALA 6 7.876 1.230 4.974
40 HB1 ALA 6 HB1 ALA 6 7.843 3.742 3.250
41 HB2 ALA 6 HB2 ALA 6 9.291 3.101 4.039
42 HB3 ALA 6 HB3 ALA 6 7.933 3.665 5.013
43 H1 NAL 7 H1 NAL 7 3.341 4.935 0.984
44 H3 NAL 7 H3 NAL 7 6.516 2.294 -0.169
45 H4 NAL 7 H4 NAL 7 7.798 4.194 -1.126
46 H5 NAL 7 H5 NAL 7 7.978 6.719 -1.635
47 H6 NAL 7 H6 NAL 7 6.996 8.991 -1.531
48 H7 NAL 7 H7 NAL 7 4.770 9.351 -0.494
49 H8 NAL 7 H8 NAL 7 3.501 7.439 0.447
50 H91 NAL 7 H91 NAL 7 3.038 2.575 0.753
51 H92 NAL 7 H92 NAL 7 4.447 1.513 0.686
52 H10 NAL 7 H10 NAL 7 3.934 3.565 2.876
53 HN1 NAL 7 HN1 NAL 7 6.339 2.587 2.144
54 H ILE 8 HN ILE 8 4.494 0.078 2.461
55 HA ILE 8 HA ILE 8 2.366 -0.462 4.454
56 HB ILE 8 HB ILE 8 1.510 -2.218 2.604
57 HG12 ILE 8 HG12 ILE 8 1.480 -1.178 0.350
58 HG13 ILE 8 HG11 ILE 8 2.522 0.114 0.914
59 HG21 ILE 8 HG21 ILE 8 0.762 0.724 2.475
60 HG22 ILE 8 HG22 ILE 8 0.131 -0.426 3.663
61 HG23 ILE 8 HG23 ILE 8 -0.234 -0.637 1.950
62 HD11 ILE 8 HD11 ILE 8 3.564 -1.862 -0.378
63 HD12 ILE 8 HD12 ILE 8 3.363 -2.778 1.099
64 HD13 ILE 8 HD13 ILE 8 4.383 -1.326 1.088
65 H LYS 9 HN LYS 9 3.390 -1.724 5.845
66 HA LYS 9 HA LYS 9 5.557 -3.500 4.992
67 HB2 LYS 9 HB2 LYS 9 5.805 -2.026 7.003
68 HB3 LYS 9 HB1 LYS 9 4.543 -2.972 7.793
69 HG2 LYS 9 HG2 LYS 9 5.887 -4.994 7.634
70 HG3 LYS 9 HG1 LYS 9 7.116 -4.146 6.694
71 HD2 LYS 9 HD2 LYS 9 7.539 -2.643 8.610
72 HD3 LYS 9 HD1 LYS 9 6.324 -3.509 9.552
73 HE2 LYS 9 HE2 LYS 9 8.614 -4.306 10.068
74 HE3 LYS 9 HE1 LYS 9 7.625 -5.583 9.361
75 HZ1 LYS 9 HZ1 LYS 9 8.890 -5.660 7.536
76 HZ2 LYS 9 HZ2 LYS 9 10.059 -4.862 8.477
77 HZ3 LYS 9 HZ3 LYS 9 9.050 -3.975 7.436
78 H GLY 10 HN GLY 10 5.365 -5.679 4.834
79 HA2 GLY 10 HA2 GLY 10 4.559 -7.853 5.284
80 HA3 GLY 10 HA1 GLY 10 3.342 -7.167 6.353
81 H ARG 11 HN ARG 11 2.600 -5.296 3.953
82 HA ARG 11 HA ARG 11 1.161 -7.333 2.271
83 HB2 ARG 11 HB2 ARG 11 -0.302 -6.368 4.115
84 HB3 ARG 11 HB1 ARG 11 -0.113 -4.802 3.343
85 HG2 ARG 11 HG2 ARG 11 -2.174 -5.724 2.525
86 HG3 ARG 11 HG1 ARG 11 -1.015 -5.833 1.208
87 HD2 ARG 11 HD2 ARG 11 -0.850 -8.177 1.386
88 HD3 ARG 11 HD1 ARG 11 -1.358 -8.191 3.076
89 HE ARG 11 HE ARG 11 -3.574 -7.226 1.705
90 HH11 ARG 11 HH21 ARG 11 -1.518 -9.997 1.536
91 HH12 ARG 11 HH22 ARG 11 -2.764 -11.045 0.943
92 HH21 ARG 11 HH11 ARG 11 -5.203 -8.582 0.930
93 HH22 ARG 11 HH12 ARG 11 -4.847 -10.245 0.600
94 H THR 12 HN THR 12 2.377 -6.942 0.433
95 HA THR 12 HA THR 12 2.514 -4.184 -0.623
96 HB THR 12 HB THR 12 4.023 -5.804 -2.348
97 HG1 THR 12 HG1 THR 12 4.579 -7.478 -1.257
98 HG21 THR 12 HG21 THR 12 5.992 -4.801 -1.222
99 HG22 THR 12 HG22 THR 12 4.954 -4.272 0.102
100 HG23 THR 12 HG23 THR 12 4.725 -3.608 -1.515
101 H PHE 13 HN PHE 13 2.043 -3.944 -2.955
102 HA PHE 13 HA PHE 13 -0.069 -5.874 -3.902
103 HB2 PHE 13 HB2 PHE 13 -0.016 -2.860 -4.219
104 HB3 PHE 13 HB1 PHE 13 -1.310 -3.949 -4.727
105 HD1 PHE 13 HD1 PHE 13 0.552 -2.644 -1.765
106 HD2 PHE 13 HD2 PHE 13 -2.935 -4.733 -3.151
107 HE1 PHE 13 HE1 PHE 13 -0.405 -2.602 0.528
108 HE2 PHE 13 HE2 PHE 13 -3.897 -4.649 -0.873
109 HZ PHE 13 HZ PHE 13 -2.623 -3.571 0.957
110 H ARG 14 HN ARG 14 0.203 -6.597 -5.948
111 HA ARG 14 HA ARG 14 2.560 -5.841 -7.475
112 HB2 ARG 14 HB2 ARG 14 1.493 -8.116 -7.658
113 HB3 ARG 14 HB1 ARG 14 0.098 -7.361 -8.433
114 HG2 ARG 14 HG2 ARG 14 1.509 -6.566 -10.267
115 HG3 ARG 14 HG1 ARG 14 2.944 -7.223 -9.479
116 HD2 ARG 14 HD2 ARG 14 1.973 -9.495 -9.624
117 HD3 ARG 14 HD1 ARG 14 0.561 -8.830 -10.445
118 HE ARG 14 HE ARG 14 2.702 -7.961 -11.986
119 HH11 ARG 14 HH21 ARG 14 1.546 -10.987 -10.788
120 HH12 ARG 14 HH22 ARG 14 2.157 -11.899 -12.127
121 HH21 ARG 14 HH11 ARG 14 3.504 -9.139 -13.738
122 HH22 ARG 14 HH12 ARG 14 3.265 -10.854 -13.795
123 H ASN 15 HN ASN 15 -0.859 -5.073 -7.491
124 HA ASN 15 HA ASN 15 -0.478 -3.045 -9.668
125 HB2 ASN 15 HB2 ASN 15 -3.234 -3.356 -8.650
126 HB3 ASN 15 HB1 ASN 15 -2.647 -3.492 -10.308
127 HD21 ASN 15 HD21 ASN 15 -4.431 -5.242 -8.355
128 HD22 ASN 15 HD22 ASN 15 -3.848 -6.810 -8.641
129 H GLU 16 HN GLU 16 -0.299 -0.947 -9.006
130 HA GLU 16 HA GLU 16 -0.443 -0.278 -6.204
131 HB2 GLU 16 HB2 GLU 16 0.994 0.989 -7.762
132 HB3 GLU 16 HB1 GLU 16 -0.423 1.511 -8.671
133 HG2 GLU 16 HG2 GLU 16 -1.243 2.802 -6.798
134 HG3 GLU 16 HG1 GLU 16 -0.006 2.134 -5.735
135 H LYS 17 HN LYS 17 -2.791 -0.447 -8.749
136 HA LYS 17 HA LYS 17 -4.693 1.379 -7.726
137 HB2 LYS 17 HB2 LYS 17 -4.645 -0.791 -9.724
138 HB3 LYS 17 HB1 LYS 17 -6.198 -0.718 -8.902
139 HG2 LYS 17 HG2 LYS 17 -6.368 0.698 -10.829
140 HG3 LYS 17 HG1 LYS 17 -6.260 1.765 -9.430
141 HD2 LYS 17 HD2 LYS 17 -3.818 2.023 -9.846
142 HD3 LYS 17 HD1 LYS 17 -3.970 0.999 -11.273
143 HE2 LYS 17 HE2 LYS 17 -5.314 3.676 -10.816
144 HE3 LYS 17 HE1 LYS 17 -4.039 3.319 -11.982
145 HZ1 LYS 17 HZ1 LYS 17 -6.848 2.915 -12.203
146 HZ2 LYS 17 HZ2 LYS 17 -5.999 1.470 -12.481
147 HZ3 LYS 17 HZ3 LYS 17 -5.655 2.853 -13.407
148 H GLU 18 HN GLU 18 -4.286 -2.122 -7.154
149 HA GLU 18 HA GLU 18 -6.402 -2.424 -5.353
150 HB2 GLU 18 HB2 GLU 18 -4.981 -4.230 -6.447
151 HB3 GLU 18 HB1 GLU 18 -3.755 -3.880 -5.235
152 HG2 GLU 18 HG2 GLU 18 -5.045 -5.717 -4.394
153 HG3 GLU 18 HG1 GLU 18 -5.535 -4.299 -3.472
154 H LEU 19 HN LEU 19 -3.173 -1.135 -4.958
155 HA LEU 19 HA LEU 19 -3.299 -1.048 -2.050
156 HB2 LEU 19 HB2 LEU 19 -1.107 -1.057 -2.973
157 HB3 LEU 19 HB1 LEU 19 -1.494 0.207 -4.116
158 HG LEU 19 HG LEU 19 -1.642 1.822 -2.209
159 HD11 LEU 19 HD11 LEU 19 -0.770 1.173 -0.019
160 HD12 LEU 19 HD12 LEU 19 -0.577 -0.476 -0.584
161 HD13 LEU 19 HD13 LEU 19 -2.185 0.202 -0.406
162 HD21 LEU 19 HD21 LEU 19 0.784 1.890 -1.758
163 HD22 LEU 19 HD22 LEU 19 0.443 1.586 -3.460
164 HD23 LEU 19 HD23 LEU 19 0.933 0.259 -2.411
165 H ARG 20 HN ARG 20 -4.086 1.099 -4.739
166 HA ARG 20 HA ARG 20 -4.569 3.483 -3.238
167 HB2 ARG 20 HB2 ARG 20 -4.452 3.317 -5.757
168 HB3 ARG 20 HB1 ARG 20 -6.048 2.571 -5.724
169 HG2 ARG 20 HG2 ARG 20 -6.933 4.596 -4.560
170 HG3 ARG 20 HG1 ARG 20 -5.342 5.344 -4.714
171 HD2 ARG 20 HD2 ARG 20 -7.010 4.357 -7.044
172 HD3 ARG 20 HD1 ARG 20 -6.909 6.040 -6.527
173 HE ARG 20 HE ARG 20 -4.259 5.290 -6.900
174 HH11 ARG 20 HH21 ARG 20 -7.163 5.235 -8.770
175 HH12 ARG 20 HH22 ARG 20 -6.346 5.433 -10.285
176 HH21 ARG 20 HH11 ARG 20 -3.184 5.549 -8.867
177 HH22 ARG 20 HH12 ARG 20 -4.095 5.611 -10.339
178 H ASP 21 HN ASP 21 -6.509 0.687 -3.983
179 HA ASP 21 HA ASP 21 -8.928 1.665 -2.789
180 HB2 ASP 21 HB2 ASP 21 -8.980 -0.084 -4.520
181 HB3 ASP 21 HB1 ASP 21 -8.098 -1.172 -3.451
182 H PHE 22 HN PHE 22 -6.503 -0.754 -1.752
183 HA PHE 22 HA PHE 22 -7.627 -1.147 0.812
184 HB2 PHE 22 HB2 PHE 22 -4.945 -1.627 -0.426
185 HB3 PHE 22 HB1 PHE 22 -5.034 -1.702 1.324
186 HD1 PHE 22 HD1 PHE 22 -7.597 -2.722 -1.212
187 HD2 PHE 22 HD2 PHE 22 -4.826 -4.024 1.813
188 HE1 PHE 22 HE1 PHE 22 -8.491 -5.016 -1.374
189 HE2 PHE 22 HE2 PHE 22 -5.731 -6.314 1.645
190 HZ PHE 22 HZ PHE 22 -7.564 -6.820 0.053
191 H ILE 23 HN ILE 23 -5.711 1.393 -0.512
192 HA ILE 23 HA ILE 23 -4.767 2.516 1.966
193 HB ILE 23 HB ILE 23 -5.022 3.380 -0.884
194 HG12 ILE 23 HG12 ILE 23 -2.819 3.741 1.187
195 HG13 ILE 23 HG11 ILE 23 -2.946 2.379 0.085
196 HG21 ILE 23 HG21 ILE 23 -6.033 5.333 0.020
197 HG22 ILE 23 HG22 ILE 23 -4.352 5.764 -0.244
198 HG23 ILE 23 HG23 ILE 23 -4.910 5.372 1.382
199 HD11 ILE 23 HD11 ILE 23 -1.340 4.029 -0.763
200 HD12 ILE 23 HD12 ILE 23 -2.587 5.274 -0.727
201 HD13 ILE 23 HD13 ILE 23 -2.730 3.914 -1.831
202 H GLU 24 HN GLU 24 -7.645 2.841 0.028
203 HA GLU 24 HA GLU 24 -8.850 4.937 1.529
204 HB2 GLU 24 HB2 GLU 24 -10.148 2.725 -0.082
205 HB3 GLU 24 HB1 GLU 24 -11.050 4.045 0.644
206 HG2 GLU 24 HG2 GLU 24 -8.736 4.480 -1.271
207 HG3 GLU 24 HG1 GLU 24 -10.419 4.401 -1.786
208 H LYS 25 HN LYS 25 -8.497 1.525 2.116
209 HA LYS 25 HA LYS 25 -10.501 1.399 4.240
210 HB2 LYS 25 HB2 LYS 25 -9.825 -0.627 2.991
211 HB3 LYS 25 HB1 LYS 25 -8.188 -0.463 3.620
212 HG2 LYS 25 HG2 LYS 25 -8.913 -0.863 5.877
213 HG3 LYS 25 HG1 LYS 25 -10.611 -0.732 5.422
214 HD2 LYS 25 HD2 LYS 25 -10.030 -3.085 5.686
215 HD3 LYS 25 HD1 LYS 25 -10.362 -2.751 3.988
216 HE2 LYS 25 HE2 LYS 25 -8.052 -2.823 3.411
217 HE3 LYS 25 HE1 LYS 25 -7.539 -2.662 5.092
218 HZ1 LYS 25 HZ1 LYS 25 -7.662 -4.841 5.372
219 HZ2 LYS 25 HZ2 LYS 25 -7.881 -4.996 3.696
220 HZ3 LYS 25 HZ3 LYS 25 -9.228 -4.921 4.728
221 H PHE 26 HN PHE 26 -6.905 1.593 4.179
222 HA PHE 26 HA PHE 26 -6.590 1.659 7.024
223 HB2 PHE 26 HB2 PHE 26 -4.793 3.221 5.142
224 HB3 PHE 26 HB1 PHE 26 -4.363 2.434 6.654
225 HD1 PHE 26 HD1 PHE 26 -5.781 -0.279 6.107
226 HD2 PHE 26 HD2 PHE 26 -3.195 2.184 3.694
227 HE1 PHE 26 HE1 PHE 26 -5.040 -2.271 4.857
228 HE2 PHE 26 HE2 PHE 26 -2.469 0.170 2.436
229 HZ PHE 26 HZ PHE 26 -3.386 -2.054 3.027
230 H11A DNS 27 H22 DNS 27 1.583 2.424 7.875
231 H12 DNS 27 H23 DNS 27 0.935 2.350 6.233
232 H13 DNS 27 H24 DNS 27 0.004 3.148 7.519
233 H21 DNS 27 H21 DNS 27 2.983 3.353 5.401
234 H22 DNS 27 H19 DNS 27 3.632 3.493 7.046
235 H23 DNS 27 H20 DNS 27 3.510 4.931 6.026
236 H4 DNS 27 H14 DNS 27 1.013 3.497 4.276
237 H5 DNS 27 H15 DNS 27 -0.349 4.905 2.713
238 H6 DNS 27 H16 DNS 27 -1.190 7.146 3.450
239 HZ DNS 27 HZ1 DNS 27 -3.553 8.213 5.487
240 HE3 DNS 27 HE1 DNS 27 -3.237 8.578 2.748
241 HE2 DNS 27 HE2 DNS 27 -3.311 6.855 3.075
242 HD3 DNS 27 HD1 DNS 27 -5.336 8.941 3.895
243 HD2 DNS 27 HD2 DNS 27 -5.547 7.656 2.706
244 HG3 DNS 27 HG1 DNS 27 -5.134 5.990 4.558
245 HG2 DNS 27 HG2 DNS 27 -5.166 7.334 5.700
246 HB3 DNS 27 HB1 DNS 27 -7.451 7.911 4.948
247 HB2 DNS 27 HB2 DNS 27 -7.424 6.547 3.829
248 HA DNS 27 HA DNS 27 -7.087 6.321 6.837
249 H DNS 27 HN DNS 27 -6.891 4.330 4.672
250 H9 DNS 27 H9 DNS 27 -0.875 9.708 7.509
251 H10 DNS 27 H10 DNS 27 0.486 8.302 9.061
252 H11 DNS 27 H11 DNS 27 1.342 6.069 8.321
253 H GLY 28 HN GLY 28 -9.014 7.609 7.192
254 HA2 GLY 28 HA2 GLY 28 -11.477 6.055 7.041
255 HA3 GLY 28 HA1 GLY 28 -11.316 7.684 7.698
256 H ARG 29 HN ARG 29 -10.480 9.215 5.693
257 HA ARG 29 HA ARG 29 -12.784 9.276 3.866
258 HB2 ARG 29 HB2 ARG 29 -10.390 11.070 4.344
259 HB3 ARG 29 HB1 ARG 29 -11.292 11.246 2.845
260 HG2 ARG 29 HG2 ARG 29 -12.137 12.793 4.555
261 HG3 ARG 29 HG1 ARG 29 -13.368 11.614 4.113
262 HD2 ARG 29 HD2 ARG 29 -11.556 11.179 6.499
263 HD3 ARG 29 HD1 ARG 29 -13.056 12.093 6.630
264 HE ARG 29 HE ARG 29 -13.792 9.720 5.363
265 HH11 ARG 29 HH21 ARG 29 -12.190 10.640 8.281
266 HH12 ARG 29 HH22 ARG 29 -12.738 9.258 9.170
267 HH21 ARG 29 HH11 ARG 29 -14.512 7.917 6.511
268 HH22 ARG 29 HH12 ARG 29 -14.051 7.718 8.170
Start of MODEL 20
1 H1 GLY 1 HT1 GLY 1 6.444 3.434 -9.415
2 H2 GLY 1 HT2 GLY 1 6.630 3.413 -11.103
3 H3 GLY 1 HT3 GLY 1 7.252 4.707 -10.195
4 HA2 GLY 1 HA2 GLY 1 8.382 2.048 -10.803
5 HA3 GLY 1 HA1 GLY 1 9.161 3.532 -10.177
6 H GLN 2 HN GLN 2 8.023 4.346 -7.979
7 HA GLN 2 HA GLN 2 10.267 3.420 -6.429
8 HB2 GLN 2 HB2 GLN 2 9.090 5.611 -6.079
9 HB3 GLN 2 HB1 GLN 2 7.715 4.721 -5.423
10 HG2 GLN 2 HG2 GLN 2 9.092 3.818 -3.631
11 HG3 GLN 2 HG1 GLN 2 10.538 4.553 -4.325
12 HE21 GLN 2 HE21 GLN 2 9.385 5.107 -1.639
13 HE22 GLN 2 HE22 GLN 2 9.013 6.763 -1.619
14 H GLN 3 HN GLN 3 10.423 1.380 -5.629
15 HA GLN 3 HA GLN 3 8.141 -0.373 -5.360
16 HB2 GLN 3 HB2 GLN 3 10.910 -0.668 -4.155
17 HB3 GLN 3 HB1 GLN 3 9.723 -1.955 -4.381
18 HG2 GLN 3 HG2 GLN 3 9.796 -1.580 -6.829
19 HG3 GLN 3 HG1 GLN 3 11.015 -0.327 -6.592
20 HE21 GLN 3 HE21 GLN 3 11.386 -2.874 -8.068
21 HE22 GLN 3 HE22 GLN 3 12.626 -3.711 -7.266
22 H TYR 4 HN TYR 4 6.980 -0.898 -3.517
23 HA TYR 4 HA TYR 4 6.865 1.012 -1.423
24 HB2 TYR 4 HB2 TYR 4 5.641 -1.593 -0.740
25 HB3 TYR 4 HB1 TYR 4 4.871 -0.020 -0.882
26 HD1 TYR 4 HD1 TYR 4 6.148 -2.940 -2.817
27 HD2 TYR 4 HD2 TYR 4 3.643 0.562 -2.879
28 HE1 TYR 4 HE1 TYR 4 5.237 -3.622 -5.018
29 HE2 TYR 4 HE2 TYR 4 2.738 -0.132 -5.073
30 HH TYR 4 HH TYR 4 3.588 -3.238 -6.526
31 H THR 5 HN THR 5 8.261 1.181 0.292
32 HA THR 5 HA THR 5 9.630 -1.314 1.308
33 HB THR 5 HB THR 5 11.506 0.138 1.939
34 HG1 THR 5 HG1 THR 5 11.230 2.202 1.987
35 HG21 THR 5 HG21 THR 5 10.712 0.619 -0.938
36 HG22 THR 5 HG22 THR 5 11.394 -0.895 -0.346
37 HG23 THR 5 HG23 THR 5 12.349 0.587 -0.288
38 H ALA 6 HN ALA 6 7.862 1.597 2.110
39 HA ALA 6 HA ALA 6 7.919 0.873 5.041
40 HB1 ALA 6 HB1 ALA 6 9.016 3.066 4.449
41 HB2 ALA 6 HB2 ALA 6 7.614 3.243 5.506
42 HB3 ALA 6 HB3 ALA 6 7.471 3.610 3.783
43 H1 NAL 7 H1 NAL 7 2.920 4.657 1.630
44 H3 NAL 7 H3 NAL 7 6.107 2.209 0.129
45 H4 NAL 7 H4 NAL 7 7.169 4.178 -0.937
46 H5 NAL 7 H5 NAL 7 7.157 6.713 -1.426
47 H6 NAL 7 H6 NAL 7 6.069 8.925 -1.185
48 H7 NAL 7 H7 NAL 7 3.948 9.151 0.085
49 H8 NAL 7 H8 NAL 7 2.892 7.161 1.124
50 H91 NAL 7 H91 NAL 7 2.724 2.252 1.321
51 H92 NAL 7 H92 NAL 7 4.194 1.285 1.168
52 H10 NAL 7 H10 NAL 7 3.646 3.270 3.410
53 HN1 NAL 7 HN1 NAL 7 6.079 2.782 2.753
54 H ILE 8 HN ILE 8 4.326 -0.177 2.845
55 HA ILE 8 HA ILE 8 2.327 -0.876 4.920
56 HB ILE 8 HB ILE 8 1.451 -2.574 3.008
57 HG12 ILE 8 HG12 ILE 8 1.277 -1.430 0.827
58 HG13 ILE 8 HG11 ILE 8 2.237 -0.089 1.425
59 HG21 ILE 8 HG21 ILE 8 0.050 -0.925 4.248
60 HG22 ILE 8 HG22 ILE 8 -0.387 -1.031 2.541
61 HG23 ILE 8 HG23 ILE 8 0.576 0.334 3.119
62 HD11 ILE 8 HD11 ILE 8 3.300 -2.908 1.390
63 HD12 ILE 8 HD12 ILE 8 4.209 -1.402 1.493
64 HD13 ILE 8 HD13 ILE 8 3.414 -1.857 -0.010
65 H LYS 9 HN LYS 9 3.381 -2.231 6.187
66 HA LYS 9 HA LYS 9 5.548 -3.927 5.154
67 HB2 LYS 9 HB2 LYS 9 5.910 -2.520 7.194
68 HB3 LYS 9 HB1 LYS 9 4.691 -3.491 8.022
69 HG2 LYS 9 HG2 LYS 9 6.020 -5.505 7.728
70 HG3 LYS 9 HG1 LYS 9 7.195 -4.632 6.745
71 HD2 LYS 9 HD2 LYS 9 7.708 -3.173 8.686
72 HD3 LYS 9 HD1 LYS 9 6.577 -4.105 9.667
73 HE2 LYS 9 HE2 LYS 9 8.889 -4.888 10.019
74 HE3 LYS 9 HE1 LYS 9 7.907 -6.146 9.267
75 HZ1 LYS 9 HZ1 LYS 9 10.275 -5.075 8.320
76 HZ2 LYS 9 HZ2 LYS 9 9.061 -4.486 7.289
77 HZ3 LYS 9 HZ3 LYS 9 9.245 -6.160 7.519
78 H GLY 10 HN GLY 10 5.446 -6.147 5.127
79 HA2 GLY 10 HA2 GLY 10 4.620 -8.319 5.540
80 HA3 GLY 10 HA1 GLY 10 3.395 -7.629 6.601
81 H ARG 11 HN ARG 11 2.690 -5.738 4.237
82 HA ARG 11 HA ARG 11 1.262 -7.719 2.475
83 HB2 ARG 11 HB2 ARG 11 0.020 -5.224 3.683
84 HB3 ARG 11 HB1 ARG 11 -0.780 -6.386 2.624
85 HG2 ARG 11 HG2 ARG 11 -0.474 -8.153 4.307
86 HG3 ARG 11 HG1 ARG 11 0.364 -7.015 5.364
87 HD2 ARG 11 HD2 ARG 11 -1.955 -7.191 6.081
88 HD3 ARG 11 HD1 ARG 11 -1.690 -5.591 5.387
89 HE ARG 11 HE ARG 11 -2.578 -7.112 3.241
90 HH11 ARG 11 HH21 ARG 11 -3.692 -6.400 6.432
91 HH12 ARG 11 HH22 ARG 11 -5.368 -6.534 6.016
92 HH21 ARG 11 HH11 ARG 11 -4.760 -7.288 2.688
93 HH22 ARG 11 HH12 ARG 11 -5.972 -7.035 3.899
94 H THR 12 HN THR 12 2.558 -7.260 0.664
95 HA THR 12 HA THR 12 2.771 -4.456 -0.216
96 HB THR 12 HB THR 12 4.287 -5.987 -2.005
97 HG1 THR 12 HG1 THR 12 5.538 -7.176 -0.301
98 HG21 THR 12 HG21 THR 12 5.228 -4.703 0.587
99 HG22 THR 12 HG22 THR 12 4.967 -3.850 -0.933
100 HG23 THR 12 HG23 THR 12 6.235 -5.071 -0.816
101 H PHE 13 HN PHE 13 2.402 -3.983 -2.471
102 HA PHE 13 HA PHE 13 0.102 -5.572 -3.582
103 HB2 PHE 13 HB2 PHE 13 0.790 -2.622 -3.687
104 HB3 PHE 13 HB1 PHE 13 -0.532 -3.353 -4.597
105 HD1 PHE 13 HD1 PHE 13 0.821 -2.997 -1.105
106 HD2 PHE 13 HD2 PHE 13 -2.643 -3.615 -3.559
107 HE1 PHE 13 HE1 PHE 13 -0.631 -2.855 0.893
108 HE2 PHE 13 HE2 PHE 13 -4.086 -3.479 -1.565
109 HZ PHE 13 HZ PHE 13 -3.074 -3.075 0.652
110 H ARG 14 HN ARG 14 0.294 -6.328 -5.627
111 HA ARG 14 HA ARG 14 2.805 -5.881 -7.106
112 HB2 ARG 14 HB2 ARG 14 2.064 -7.594 -8.591
113 HB3 ARG 14 HB1 ARG 14 1.498 -8.108 -7.005
114 HG2 ARG 14 HG2 ARG 14 -0.741 -6.998 -7.595
115 HG3 ARG 14 HG1 ARG 14 -0.129 -6.849 -9.239
116 HD2 ARG 14 HD2 ARG 14 -1.465 -8.898 -9.003
117 HD3 ARG 14 HD1 ARG 14 0.222 -9.295 -9.328
118 HE ARG 14 HE ARG 14 0.048 -9.279 -6.552
119 HH11 ARG 14 HH21 ARG 14 -1.595 -10.838 -9.161
120 HH12 ARG 14 HH22 ARG 14 -1.969 -12.260 -8.247
121 HH21 ARG 14 HH11 ARG 14 -0.434 -11.128 -5.351
122 HH22 ARG 14 HH12 ARG 14 -1.312 -12.424 -6.093
123 H ASN 15 HN ASN 15 -0.641 -5.130 -7.422
124 HA ASN 15 HA ASN 15 -0.043 -3.142 -9.591
125 HB2 ASN 15 HB2 ASN 15 -2.674 -3.172 -9.699
126 HB3 ASN 15 HB1 ASN 15 -1.761 -4.471 -10.471
127 HD21 ASN 15 HD21 ASN 15 -3.947 -5.610 -10.092
128 HD22 ASN 15 HD22 ASN 15 -4.148 -6.416 -8.612
129 H GLU 16 HN GLU 16 -0.127 -1.041 -9.058
130 HA GLU 16 HA GLU 16 -0.684 -0.202 -6.387
131 HB2 GLU 16 HB2 GLU 16 -0.585 1.379 -8.979
132 HB3 GLU 16 HB1 GLU 16 -0.709 2.120 -7.385
133 HG2 GLU 16 HG2 GLU 16 1.622 2.122 -8.018
134 HG3 GLU 16 HG1 GLU 16 1.411 0.924 -6.744
135 H LYS 17 HN LYS 17 -2.678 -0.855 -9.102
136 HA LYS 17 HA LYS 17 -4.907 0.757 -8.630
137 HB2 LYS 17 HB2 LYS 17 -4.485 -0.901 -10.551
138 HB3 LYS 17 HB1 LYS 17 -5.097 -2.149 -9.475
139 HG2 LYS 17 HG2 LYS 17 -7.205 -0.879 -9.200
140 HG3 LYS 17 HG1 LYS 17 -6.609 0.353 -10.307
141 HD2 LYS 17 HD2 LYS 17 -6.747 -2.553 -11.179
142 HD3 LYS 17 HD1 LYS 17 -8.182 -1.535 -11.249
143 HE2 LYS 17 HE2 LYS 17 -6.883 0.104 -12.650
144 HE3 LYS 17 HE1 LYS 17 -5.552 -1.050 -12.688
145 HZ1 LYS 17 HZ1 LYS 17 -6.708 -2.492 -13.987
146 HZ2 LYS 17 HZ2 LYS 17 -7.373 -1.030 -14.540
147 HZ3 LYS 17 HZ3 LYS 17 -8.225 -1.986 -13.423
148 H GLU 18 HN GLU 18 -4.189 -2.475 -7.278
149 HA GLU 18 HA GLU 18 -6.521 -2.500 -5.606
150 HB2 GLU 18 HB2 GLU 18 -3.971 -4.116 -5.653
151 HB3 GLU 18 HB1 GLU 18 -5.180 -4.369 -4.394
152 HG2 GLU 18 HG2 GLU 18 -5.818 -4.480 -7.359
153 HG3 GLU 18 HG1 GLU 18 -5.391 -5.902 -6.407
154 H LEU 19 HN LEU 19 -3.266 -1.256 -5.205
155 HA LEU 19 HA LEU 19 -3.444 -0.904 -2.338
156 HB2 LEU 19 HB2 LEU 19 -1.288 -0.965 -3.458
157 HB3 LEU 19 HB1 LEU 19 -1.726 0.429 -4.423
158 HG LEU 19 HG LEU 19 -1.955 1.625 -2.105
159 HD11 LEU 19 HD11 LEU 19 -1.660 -0.527 -0.806
160 HD12 LEU 19 HD12 LEU 19 -0.621 0.803 -0.312
161 HD13 LEU 19 HD13 LEU 19 0.028 -0.492 -1.312
162 HD21 LEU 19 HD21 LEU 19 0.440 2.227 -2.140
163 HD22 LEU 19 HD22 LEU 19 -0.258 2.219 -3.759
164 HD23 LEU 19 HD23 LEU 19 0.741 0.869 -3.224
165 H ARG 20 HN ARG 20 -4.289 1.079 -5.148
166 HA ARG 20 HA ARG 20 -4.819 3.520 -3.768
167 HB2 ARG 20 HB2 ARG 20 -4.744 3.269 -6.262
168 HB3 ARG 20 HB1 ARG 20 -6.281 2.410 -6.181
169 HG2 ARG 20 HG2 ARG 20 -7.369 4.379 -5.214
170 HG3 ARG 20 HG1 ARG 20 -5.830 5.241 -5.183
171 HD2 ARG 20 HD2 ARG 20 -5.689 5.032 -7.653
172 HD3 ARG 20 HD1 ARG 20 -7.264 4.239 -7.658
173 HE ARG 20 HE ARG 20 -7.722 6.628 -6.318
174 HH11 ARG 20 HH21 ARG 20 -6.360 5.686 -9.349
175 HH12 ARG 20 HH22 ARG 20 -6.852 7.132 -10.167
176 HH21 ARG 20 HH11 ARG 20 -8.367 8.516 -7.372
177 HH22 ARG 20 HH12 ARG 20 -7.986 8.732 -9.048
178 H ASP 21 HN ASP 21 -6.729 0.654 -4.333
179 HA ASP 21 HA ASP 21 -9.134 1.676 -3.134
180 HB2 ASP 21 HB2 ASP 21 -9.227 -0.123 -4.802
181 HB3 ASP 21 HB1 ASP 21 -8.307 -1.177 -3.733
182 H PHE 22 HN PHE 22 -6.714 -0.745 -2.059
183 HA PHE 22 HA PHE 22 -7.773 -1.073 0.527
184 HB2 PHE 22 HB2 PHE 22 -5.074 -1.505 -0.704
185 HB3 PHE 22 HB1 PHE 22 -5.179 -1.569 1.049
186 HD1 PHE 22 HD1 PHE 22 -7.583 -2.691 -1.608
187 HD2 PHE 22 HD2 PHE 22 -5.061 -3.862 1.676
188 HE1 PHE 22 HE1 PHE 22 -8.441 -4.998 -1.765
189 HE2 PHE 22 HE2 PHE 22 -5.928 -6.163 1.510
190 HZ PHE 22 HZ PHE 22 -7.619 -6.743 -0.208
191 H ILE 23 HN ILE 23 -5.968 1.485 -0.874
192 HA ILE 23 HA ILE 23 -5.034 2.708 1.573
193 HB ILE 23 HB ILE 23 -5.294 3.464 -1.311
194 HG12 ILE 23 HG12 ILE 23 -3.070 3.959 0.702
195 HG13 ILE 23 HG11 ILE 23 -3.217 2.484 -0.249
196 HG21 ILE 23 HG21 ILE 23 -6.298 5.443 -0.456
197 HG22 ILE 23 HG22 ILE 23 -4.615 5.859 -0.749
198 HG23 ILE 23 HG23 ILE 23 -5.163 5.521 0.893
199 HD11 ILE 23 HD11 ILE 23 -2.955 5.267 -1.424
200 HD12 ILE 23 HD12 ILE 23 -2.976 3.752 -2.315
201 HD13 ILE 23 HD13 ILE 23 -1.628 4.122 -1.250
202 H GLU 24 HN GLU 24 -7.891 2.838 -0.399
203 HA GLU 24 HA GLU 24 -9.199 4.970 0.905
204 HB2 GLU 24 HB2 GLU 24 -10.986 4.440 -0.464
205 HB3 GLU 24 HB1 GLU 24 -9.847 3.316 -1.194
206 HG2 GLU 24 HG2 GLU 24 -10.685 1.573 0.473
207 HG3 GLU 24 HG1 GLU 24 -11.950 2.714 0.908
208 H LYS 25 HN LYS 25 -8.720 1.634 1.812
209 HA LYS 25 HA LYS 25 -10.608 1.684 4.056
210 HB2 LYS 25 HB2 LYS 25 -8.330 -0.222 3.415
211 HB3 LYS 25 HB1 LYS 25 -9.493 -0.451 4.715
212 HG2 LYS 25 HG2 LYS 25 -11.332 -0.393 2.992
213 HG3 LYS 25 HG1 LYS 25 -10.089 -0.359 1.742
214 HD2 LYS 25 HD2 LYS 25 -9.167 -2.487 2.621
215 HD3 LYS 25 HD1 LYS 25 -10.460 -2.533 3.819
216 HE2 LYS 25 HE2 LYS 25 -10.883 -2.479 0.816
217 HE3 LYS 25 HE1 LYS 25 -10.982 -3.924 1.822
218 HZ1 LYS 25 HZ1 LYS 25 -12.742 -2.835 3.104
219 HZ2 LYS 25 HZ2 LYS 25 -13.166 -3.011 1.468
220 HZ3 LYS 25 HZ3 LYS 25 -12.676 -1.497 2.064
221 H PHE 26 HN PHE 26 -7.021 1.879 3.779
222 HA PHE 26 HA PHE 26 -6.547 2.185 6.579
223 HB2 PHE 26 HB2 PHE 26 -4.887 3.597 4.469
224 HB3 PHE 26 HB1 PHE 26 -4.357 2.961 6.020
225 HD1 PHE 26 HD1 PHE 26 -5.862 0.184 5.710
226 HD2 PHE 26 HD2 PHE 26 -3.252 2.446 3.131
227 HE1 PHE 26 HE1 PHE 26 -5.151 -1.896 4.593
228 HE2 PHE 26 HE2 PHE 26 -2.554 0.344 2.009
229 HZ PHE 26 HZ PHE 26 -3.502 -1.823 2.749
230 H11A DNS 27 H22 DNS 27 0.526 4.124 7.049
231 H12 DNS 27 H23 DNS 27 1.551 4.687 5.725
232 H13 DNS 27 H24 DNS 27 1.493 2.958 6.127
233 H21 DNS 27 H21 DNS 27 -1.712 3.020 6.447
234 H22 DNS 27 H19 DNS 27 -0.562 1.776 5.920
235 H23 DNS 27 H20 DNS 27 -1.805 2.349 4.804
236 H4 DNS 27 H14 DNS 27 -1.533 5.145 6.998
237 H5 DNS 27 H15 DNS 27 -2.693 7.316 6.530
238 H6 DNS 27 H16 DNS 27 -2.697 8.269 4.216
239 HZ DNS 27 HZ1 DNS 27 -3.735 7.650 2.995
240 HE3 DNS 27 HE1 DNS 27 -4.747 9.783 2.589
241 HE2 DNS 27 HE2 DNS 27 -4.841 9.361 0.889
242 HD3 DNS 27 HD1 DNS 27 -6.978 9.014 2.119
243 HD2 DNS 27 HD2 DNS 27 -6.368 7.544 1.361
244 HG3 DNS 27 HG1 DNS 27 -5.574 6.673 3.447
245 HG2 DNS 27 HG2 DNS 27 -5.771 8.228 4.258
246 HB3 DNS 27 HB1 DNS 27 -8.202 8.083 4.014
247 HB2 DNS 27 HB2 DNS 27 -8.047 6.566 3.128
248 HA DNS 27 HA DNS 27 -6.941 6.877 5.935
249 H DNS 27 HN DNS 27 -7.016 4.686 4.062
250 H9 DNS 27 H9 DNS 27 -0.856 6.855 -0.021
251 H10 DNS 27 H10 DNS 27 0.291 4.694 0.465
252 H11 DNS 27 H11 DNS 27 0.293 3.759 2.782
253 H GLY 28 HN GLY 28 -8.376 6.921 7.610
254 HA2 GLY 28 HA2 GLY 28 -11.130 7.412 7.255
255 HA3 GLY 28 HA1 GLY 28 -10.962 5.682 7.555
256 H ARG 29 HN ARG 29 -9.044 5.470 9.424
257 HA ARG 29 HA ARG 29 -10.348 6.389 11.828
258 HB2 ARG 29 HB2 ARG 29 -7.550 5.268 11.468
259 HB3 ARG 29 HB1 ARG 29 -8.414 5.401 12.997
260 HG2 ARG 29 HG2 ARG 29 -9.322 3.767 10.608
261 HG3 ARG 29 HG1 ARG 29 -8.549 3.107 12.042
262 HD2 ARG 29 HD2 ARG 29 -10.572 4.419 13.266
263 HD3 ARG 29 HD1 ARG 29 -11.354 4.134 11.713
264 HE ARG 29 HE ARG 29 -11.014 2.213 13.774
265 HH11 ARG 29 HH21 ARG 29 -10.497 2.508 10.371
266 HH12 ARG 29 HH22 ARG 29 -10.404 0.802 10.113
267 HH21 ARG 29 HH11 ARG 29 -10.921 -0.003 13.440
268 HH22 ARG 29 HH12 ARG 29 -10.655 -0.618 11.843