Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
5584 | 1hp2 RC | 4924 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H VAL 1 HT1 VAL 1 -3.964 8.899 1.108
2 2H VAL 1 HT2 VAL 1 -3.713 7.219 1.168
3 3H VAL 1 HT3 VAL 1 -3.038 8.138 -0.092
4 HA VAL 1 HA VAL 1 -1.587 9.283 1.473
5 HB VAL 1 HB VAL 1 -3.347 9.102 3.268
6 1HG1 VAL 1 HG11 VAL 1 -2.836 6.297 2.799
7 2HG1 VAL 1 HG12 VAL 1 -4.103 7.041 3.774
8 3HG1 VAL 1 HG13 VAL 1 -2.530 6.688 4.490
9 1HG2 VAL 1 HG21 VAL 1 -1.771 9.377 4.923
10 2HG2 VAL 1 HG22 VAL 1 -0.686 9.408 3.533
11 3HG2 VAL 1 HG23 VAL 1 -0.884 7.923 4.464
12 H PHE 2 HN PHE 2 0.370 8.119 2.512
13 HA PHE 2 HA PHE 2 0.679 5.383 1.310
14 1HB PHE 2 HB2 PHE 2 2.781 7.543 1.664
15 2HB PHE 2 HB1 PHE 2 2.955 6.036 0.765
16 HD1 PHE 2 HD1 PHE 2 2.455 5.970 -1.517
17 HD2 PHE 2 HD2 PHE 2 0.875 9.146 0.898
18 HE1 PHE 2 HE1 PHE 2 1.568 7.072 -3.554
19 HE2 PHE 2 HE2 PHE 2 -0.013 10.251 -1.134
20 HZ PHE 2 HZ PHE 2 0.334 9.217 -3.363
21 H ILE 3 HN ILE 3 2.531 4.160 2.424
22 HA ILE 3 HA ILE 3 2.674 4.853 5.338
23 HB ILE 3 HB ILE 3 2.123 2.618 5.891
24 1HG1 ILE 3 HG12 ILE 3 2.883 2.020 3.028
25 2HG1 ILE 3 HG11 ILE 3 3.574 1.351 4.504
26 1HG2 ILE 3 HG21 ILE 3 0.533 3.267 3.388
27 2HG2 ILE 3 HG22 ILE 3 0.179 3.865 5.009
28 3HG2 ILE 3 HG23 ILE 3 0.041 2.143 4.656
29 1HD1 ILE 3 HD11 ILE 3 0.902 0.738 3.244
30 2HD1 ILE 3 HD12 ILE 3 1.213 0.390 4.945
31 3HD1 ILE 3 HD13 ILE 3 2.186 -0.383 3.695
32 H ASN 4 HN ASN 4 4.694 4.436 6.303
33 HA ASN 4 HA ASN 4 7.011 4.345 4.598
34 1HB ASN 4 HB2 ASN 4 8.192 4.460 6.683
35 2HB ASN 4 HB1 ASN 4 6.696 5.362 6.924
36 1HD2 ASN 4 HD21 ASN 4 5.198 4.565 8.479
37 2HD2 ASN 4 HD22 ASN 4 5.465 3.161 9.396
38 H ALA 5 HN ALA 5 4.974 1.866 5.823
39 HA ALA 5 HA ALA 5 6.575 -0.326 6.368
40 1HB ALA 5 HB1 ALA 5 4.023 -0.070 6.144
41 2HB ALA 5 HB2 ALA 5 4.704 -1.616 5.638
42 3HB ALA 5 HB3 ALA 5 4.252 -0.413 4.429
43 H LYS 6 HN LYS 6 8.518 -0.631 5.267
44 HA LYS 6 HA LYS 6 9.077 -0.080 2.559
45 1HB LYS 6 HB2 LYS 6 10.129 -2.035 4.600
46 2HB LYS 6 HB1 LYS 6 10.825 -1.962 2.981
47 1HG LYS 6 HG2 LYS 6 12.166 -0.405 4.042
48 2HG LYS 6 HG1 LYS 6 10.857 0.649 3.503
49 1HD LYS 6 HD2 LYS 6 9.876 0.736 5.634
50 2HD LYS 6 HD1 LYS 6 10.703 -0.724 6.177
51 1HE LYS 6 HE2 LYS 6 12.513 1.475 5.365
52 2HE LYS 6 HE1 LYS 6 11.542 1.799 6.815
53 1HZ LYS 6 HZ1 LYS 6 13.132 -0.664 6.322
54 2HZ LYS 6 HZ2 LYS 6 12.200 -0.344 7.705
55 3HZ LYS 6 HZ3 LYS 6 13.576 0.593 7.370
56 H CYS 7 HN CYS 7 7.218 -0.798 1.301
57 HA CYS 7 HA CYS 7 6.399 -3.593 1.284
58 1HB CYS 7 HB2 CYS 7 5.055 -2.804 -0.662
59 2HB CYS 7 HB1 CYS 7 4.904 -1.718 0.721
60 H ARG 8 HN ARG 8 6.796 -5.102 -0.469
61 HA ARG 8 HA ARG 8 9.166 -4.417 -2.177
62 1HB ARG 8 HB2 ARG 8 8.501 -6.938 -0.628
63 2HB ARG 8 HB1 ARG 8 9.839 -6.810 -1.771
64 1HG ARG 8 HG2 ARG 8 9.643 -4.716 0.344
65 2HG ARG 8 HG1 ARG 8 10.169 -6.325 0.843
66 1HD ARG 8 HD2 ARG 8 11.412 -4.782 -1.461
67 2HD ARG 8 HD1 ARG 8 12.088 -4.846 0.180
68 HE ARG 8 HE ARG 8 11.919 -7.442 -0.202
69 1HH1 ARG 8 HH11 ARG 8 11.406 -6.047 -3.124
70 2HH1 ARG 8 HH12 ARG 8 12.828 -6.653 -3.905
71 1HH2 ARG 8 HH21 ARG 8 14.274 -7.800 -0.970
72 2HH2 ARG 8 HH22 ARG 8 14.451 -7.647 -2.686
73 H GLY 9 HN GLY 9 5.942 -5.539 -2.075
74 1HA GLY 9 HA2 GLY 9 6.167 -6.368 -4.923
75 2HA GLY 9 HA1 GLY 9 5.369 -7.458 -3.792
76 H SER 10 HN SER 10 4.577 -5.473 -6.137
77 HA SER 10 HA SER 10 2.802 -3.505 -5.266
78 1HB SER 10 HB2 SER 10 2.658 -3.473 -7.518
79 2HB SER 10 HB1 SER 10 3.353 -5.088 -7.608
80 HG SER 10 HG SER 10 0.884 -4.373 -8.128
81 HA PRO 11 HA PRO 11 -0.680 -6.887 -4.988
82 1HB PRO 11 HB2 PRO 11 0.625 -9.388 -4.424
83 2HB PRO 11 HB1 PRO 11 -0.370 -8.969 -5.820
84 1HG PRO 11 HG2 PRO 11 2.453 -9.387 -5.767
85 2HG PRO 11 HG1 PRO 11 1.465 -8.884 -7.141
86 1HD PRO 11 HD2 PRO 11 3.333 -7.299 -5.590
87 2HD PRO 11 HD1 PRO 11 2.428 -6.819 -7.046
88 H GLU 12 HN GLU 12 2.273 -6.858 -3.125
89 HA GLU 12 HA GLU 12 1.126 -7.897 -0.655
90 1HB GLU 12 HB2 GLU 12 3.649 -7.211 -1.737
91 2HB GLU 12 HB1 GLU 12 3.427 -6.170 -0.330
92 1HG GLU 12 HG2 GLU 12 4.255 -8.010 0.766
93 2HG GLU 12 HG1 GLU 12 2.558 -8.489 0.724
94 H CYS 13 HN CYS 13 1.501 -4.736 -2.162
95 HA CYS 13 HA CYS 13 0.905 -3.126 0.152
96 1HB CYS 13 HB2 CYS 13 1.370 -2.866 -2.703
97 2HB CYS 13 HB1 CYS 13 0.061 -1.804 -2.188
98 H LEU 14 HN LEU 14 -1.072 -5.006 -2.032
99 HA LEU 14 HA LEU 14 -3.559 -3.619 -1.701
100 1HB LEU 14 HB2 LEU 14 -2.517 -6.057 -2.843
101 2HB LEU 14 HB1 LEU 14 -4.026 -6.397 -1.994
102 HG LEU 14 HG LEU 14 -4.918 -4.272 -3.205
103 1HD1 LEU 14 HD11 LEU 14 -3.152 -4.887 -5.464
104 2HD1 LEU 14 HD12 LEU 14 -2.294 -4.183 -4.092
105 3HD1 LEU 14 HD13 LEU 14 -3.649 -3.321 -4.821
106 1HD2 LEU 14 HD21 LEU 14 -5.688 -6.561 -3.684
107 2HD2 LEU 14 HD22 LEU 14 -4.293 -6.821 -4.731
108 3HD2 LEU 14 HD23 LEU 14 -5.526 -5.643 -5.181
109 HA PRO 15 HA PRO 15 -4.439 -6.794 1.876
110 1HB PRO 15 HB2 PRO 15 -1.874 -7.736 2.782
111 2HB PRO 15 HB1 PRO 15 -3.200 -8.687 2.105
112 1HG PRO 15 HG2 PRO 15 -0.686 -7.996 0.865
113 2HG PRO 15 HG1 PRO 15 -1.980 -9.015 0.226
114 1HD PRO 15 HD2 PRO 15 -1.244 -6.399 -0.663
115 2HD PRO 15 HD1 PRO 15 -2.637 -7.369 -1.200
116 H LYS 16 HN LYS 16 -1.423 -4.952 1.713
117 HA LYS 16 HA LYS 16 -1.351 -4.143 4.490
118 1HB LYS 16 HB2 LYS 16 -0.174 -3.011 1.931
119 2HB LYS 16 HB1 LYS 16 0.281 -2.476 3.549
120 1HG LYS 16 HG2 LYS 16 0.370 -5.405 2.940
121 2HG LYS 16 HG1 LYS 16 1.665 -4.374 2.327
122 1HD LYS 16 HD2 LYS 16 0.784 -4.301 5.217
123 2HD LYS 16 HD1 LYS 16 2.039 -5.402 4.645
124 1HE LYS 16 HE2 LYS 16 3.529 -3.707 4.873
125 2HE LYS 16 HE1 LYS 16 2.674 -2.847 3.577
126 1HZ LYS 16 HZ1 LYS 16 0.991 -2.276 5.392
127 2HZ LYS 16 HZ2 LYS 16 2.467 -1.434 5.401
128 3HZ LYS 16 HZ3 LYS 16 2.206 -2.710 6.493
129 H CYS 17 HN CYS 17 -2.246 -2.308 1.523
130 HA CYS 17 HA CYS 17 -3.189 0.041 2.735
131 1HB CYS 17 HB2 CYS 17 -4.161 -1.531 0.326
132 2HB CYS 17 HB1 CYS 17 -4.682 0.116 0.679
133 H LYS 18 HN LYS 18 -4.985 -2.962 2.039
134 HA LYS 18 HA LYS 18 -7.497 -2.190 3.138
135 1HB LYS 18 HB2 LYS 18 -7.251 -4.173 1.793
136 2HB LYS 18 HB1 LYS 18 -6.029 -4.830 2.881
137 1HG LYS 18 HG2 LYS 18 -8.447 -4.213 4.346
138 2HG LYS 18 HG1 LYS 18 -8.805 -5.285 2.992
139 1HD LYS 18 HD2 LYS 18 -7.063 -6.841 3.721
140 2HD LYS 18 HD1 LYS 18 -6.613 -5.752 5.035
141 1HE LYS 18 HE2 LYS 18 -8.348 -6.447 6.343
142 2HE LYS 18 HE1 LYS 18 -9.487 -6.435 4.981
143 1HZ LYS 18 HZ1 LYS 18 -7.364 -8.469 5.417
144 2HZ LYS 18 HZ2 LYS 18 -8.491 -8.456 4.146
145 3HZ LYS 18 HZ3 LYS 18 -9.012 -8.703 5.745
146 H GLU 19 HN GLU 19 -4.549 -3.446 4.633
147 HA GLU 19 HA GLU 19 -5.762 -3.707 7.295
148 1HB GLU 19 HB2 GLU 19 -4.022 -5.233 6.702
149 2HB GLU 19 HB1 GLU 19 -2.992 -3.936 6.096
150 1HG GLU 19 HG2 GLU 19 -3.718 -3.466 8.865
151 2HG GLU 19 HG1 GLU 19 -2.951 -5.042 8.676
152 H ALA 20 HN ALA 20 -4.336 -1.216 5.397
153 HA ALA 20 HA ALA 20 -3.462 0.413 7.699
154 1HB ALA 20 HB1 ALA 20 -2.474 0.168 5.270
155 2HB ALA 20 HB2 ALA 20 -2.480 1.753 6.044
156 3HB ALA 20 HB3 ALA 20 -3.714 1.349 4.851
157 H ILE 21 HN ILE 21 -5.770 0.918 4.981
158 HA ILE 21 HA ILE 21 -7.278 2.793 6.755
159 HB ILE 21 HB ILE 21 -8.290 3.450 4.500
160 1HG1 ILE 21 HG12 ILE 21 -7.274 1.119 3.601
161 2HG1 ILE 21 HG11 ILE 21 -7.560 2.496 2.541
162 1HG2 ILE 21 HG21 ILE 21 -5.315 3.734 5.004
163 2HG2 ILE 21 HG22 ILE 21 -6.595 4.828 5.532
164 3HG2 ILE 21 HG23 ILE 21 -6.208 4.687 3.817
165 1HD1 ILE 21 HD11 ILE 21 -5.321 2.942 2.295
166 2HD1 ILE 21 HD12 ILE 21 -5.183 1.225 2.666
167 3HD1 ILE 21 HD13 ILE 21 -4.931 2.424 3.936
168 H GLY 22 HN GLY 22 -7.564 -0.194 4.899
169 1HA GLY 22 HA2 GLY 22 -9.344 -1.694 6.031
170 2HA GLY 22 HA1 GLY 22 -10.440 -0.355 5.691
171 H LYS 23 HN LYS 23 -8.672 -0.033 3.103
172 HA LYS 23 HA LYS 23 -10.143 -2.144 1.554
173 1HB LYS 23 HB2 LYS 23 -9.404 0.724 0.896
174 2HB LYS 23 HB1 LYS 23 -10.155 -0.389 -0.248
175 1HG LYS 23 HG2 LYS 23 -11.569 -0.344 2.301
176 2HG LYS 23 HG1 LYS 23 -11.497 1.256 1.561
177 1HD LYS 23 HD2 LYS 23 -12.309 -1.210 0.010
178 2HD LYS 23 HD1 LYS 23 -13.476 -0.201 0.865
179 1HE LYS 23 HE2 LYS 23 -12.941 1.718 -0.484
180 2HE LYS 23 HE1 LYS 23 -11.532 0.901 -1.189
181 1HZ LYS 23 HZ1 LYS 23 -12.945 -0.735 -2.173
182 2HZ LYS 23 HZ2 LYS 23 -13.549 0.792 -2.610
183 3HZ LYS 23 HZ3 LYS 23 -14.315 -0.113 -1.393
184 H ALA 24 HN ALA 24 -8.976 -3.235 -0.060
185 HA ALA 24 HA ALA 24 -6.029 -3.052 0.122
186 1HB ALA 24 HB1 ALA 24 -6.837 -4.983 -1.760
187 2HB ALA 24 HB2 ALA 24 -8.088 -4.995 -0.518
188 3HB ALA 24 HB3 ALA 24 -6.404 -5.273 -0.075
189 H ALA 25 HN ALA 25 -6.497 -0.745 -1.003
190 HA ALA 25 HA ALA 25 -6.193 -1.177 -3.957
191 1HB ALA 25 HB1 ALA 25 -8.226 0.180 -2.487
192 2HB ALA 25 HB2 ALA 25 -8.039 0.091 -4.239
193 3HB ALA 25 HB3 ALA 25 -7.284 1.406 -3.337
194 H GLY 26 HN GLY 26 -3.975 -0.838 -4.142
195 1HA GLY 26 HA2 GLY 26 -2.904 1.778 -4.086
196 2HA GLY 26 HA1 GLY 26 -2.459 1.008 -2.563
197 H LYS 27 HN LYS 27 -0.318 1.575 -3.982
198 HA LYS 27 HA LYS 27 0.495 -1.045 -5.189
199 1HB LYS 27 HB2 LYS 27 1.358 1.650 -6.254
200 2HB LYS 27 HB1 LYS 27 1.436 0.083 -7.059
201 1HG LYS 27 HG2 LYS 27 -1.193 0.143 -6.717
202 2HG LYS 27 HG1 LYS 27 -0.920 1.885 -6.645
203 1HD LYS 27 HD2 LYS 27 0.587 0.701 -8.820
204 2HD LYS 27 HD1 LYS 27 -1.127 0.314 -8.964
205 1HE LYS 27 HE2 LYS 27 -1.155 2.389 -9.997
206 2HE LYS 27 HE1 LYS 27 -1.327 2.937 -8.317
207 1HZ LYS 27 HZ1 LYS 27 0.806 3.612 -8.214
208 2HZ LYS 27 HZ2 LYS 27 0.666 3.718 -9.903
209 3HZ LYS 27 HZ3 LYS 27 1.379 2.351 -9.193
210 H CYS 28 HN CYS 28 3.100 -0.726 -5.577
211 HA CYS 28 HA CYS 28 4.195 0.433 -3.034
212 1HB CYS 28 HB2 CYS 28 4.090 -1.970 -2.854
213 2HB CYS 28 HB1 CYS 28 4.775 -2.174 -4.466
214 H MET 29 HN MET 29 5.548 2.100 -3.586
215 HA MET 29 HA MET 29 7.536 1.673 -5.751
216 1HB MET 29 HB2 MET 29 5.207 3.532 -5.763
217 2HB MET 29 HB1 MET 29 6.726 4.168 -6.390
218 1HG MET 29 HG2 MET 29 6.819 1.913 -7.720
219 2HG MET 29 HG1 MET 29 5.084 1.862 -7.402
220 1HE MET 29 HE1 MET 29 7.616 3.839 -10.226
221 2HE MET 29 HE2 MET 29 8.032 3.458 -8.557
222 3HE MET 29 HE3 MET 29 7.590 5.106 -8.992
223 H ASN 30 HN ASN 30 9.264 3.327 -5.660
224 HA ASN 30 HA ASN 30 10.855 4.553 -4.412
225 1HB ASN 30 HB2 ASN 30 8.144 5.663 -3.701
226 2HB ASN 30 HB1 ASN 30 9.605 6.353 -2.992
227 1HD2 ASN 30 HD21 ASN 30 8.308 8.122 -4.580
228 2HD2 ASN 30 HD22 ASN 30 9.050 8.274 -6.098
229 H GLY 31 HN GLY 31 9.626 2.009 -3.215
230 1HA GLY 31 HA2 GLY 31 9.985 0.801 -1.232
231 2HA GLY 31 HA1 GLY 31 10.970 2.151 -0.666
232 H LYS 32 HN LYS 32 7.542 2.188 -1.621
233 HA LYS 32 HA LYS 32 6.671 2.451 1.187
234 1HB LYS 32 HB2 LYS 32 6.534 4.710 -0.838
235 2HB LYS 32 HB1 LYS 32 5.751 4.737 0.742
236 1HG LYS 32 HG2 LYS 32 8.072 4.272 1.729
237 2HG LYS 32 HG1 LYS 32 8.709 4.675 0.134
238 1HD LYS 32 HD2 LYS 32 7.708 6.887 0.235
239 2HD LYS 32 HD1 LYS 32 6.901 6.492 1.753
240 1HE LYS 32 HE2 LYS 32 9.826 6.056 1.794
241 2HE LYS 32 HE1 LYS 32 9.329 7.752 1.618
242 1HZ LYS 32 HZ1 LYS 32 9.223 7.411 3.900
243 2HZ LYS 32 HZ2 LYS 32 8.617 5.830 3.745
244 3HZ LYS 32 HZ3 LYS 32 7.617 7.163 3.414
245 H CYS 33 HN CYS 33 4.259 2.555 1.302
246 HA CYS 33 HA CYS 33 3.035 1.160 -1.035
247 1HB CYS 33 HB2 CYS 33 3.036 0.446 1.492
248 2HB CYS 33 HB1 CYS 33 1.742 1.633 1.638
249 H LYS 34 HN LYS 34 1.486 2.175 -2.275
250 HA LYS 34 HA LYS 34 0.652 4.927 -1.445
251 1HB LYS 34 HB2 LYS 34 0.380 3.679 -4.182
252 2HB LYS 34 HB1 LYS 34 0.513 5.386 -3.766
253 1HG LYS 34 HG2 LYS 34 2.842 5.060 -3.067
254 2HG LYS 34 HG1 LYS 34 2.719 3.335 -3.411
255 1HD LYS 34 HD2 LYS 34 3.340 3.770 -5.527
256 2HD LYS 34 HD1 LYS 34 1.830 4.654 -5.741
257 1HE LYS 34 HE2 LYS 34 2.925 6.711 -4.866
258 2HE LYS 34 HE1 LYS 34 4.452 5.817 -4.734
259 1HZ LYS 34 HZ1 LYS 34 3.901 7.088 -6.919
260 2HZ LYS 34 HZ2 LYS 34 2.935 5.730 -7.252
261 3HZ LYS 34 HZ3 LYS 34 4.606 5.547 -6.996
262 H CYS 35 HN CYS 35 -1.102 4.106 -0.060
263 HA CYS 35 HA CYS 35 -3.259 2.558 -1.378
264 1HB CYS 35 HB2 CYS 35 -3.074 3.712 1.421
265 2HB CYS 35 HB1 CYS 35 -4.140 2.419 0.877
266 H TYR 36 HN TYR 36 -5.157 3.502 -2.083
267 HA TYR 36 HA TYR 36 -5.401 6.465 -1.803
268 1HB TYR 36 HB2 TYR 36 -6.138 4.363 -3.779
269 2HB TYR 36 HB1 TYR 36 -7.222 5.749 -3.662
270 HD1 TYR 36 HD1 TYR 36 -3.559 5.774 -3.024
271 HD2 TYR 36 HD2 TYR 36 -6.723 6.857 -5.720
272 HE1 TYR 36 HE1 TYR 36 -1.964 7.132 -4.352
273 HE2 TYR 36 HE2 TYR 36 -5.129 8.215 -7.047
274 HH TYR 36 HH TYR 36 -1.671 8.337 -6.202
275 HA PRO 37 HA PRO 37 -8.600 5.396 1.225
276 1HB PRO 37 HB2 PRO 37 -9.237 8.200 1.352
277 2HB PRO 37 HB1 PRO 37 -8.361 7.230 2.539
278 1HG PRO 37 HG2 PRO 37 -7.303 9.231 0.771
279 2HG PRO 37 HG1 PRO 37 -6.433 8.266 1.968
280 1HD PRO 37 HD2 PRO 37 -6.314 8.039 -0.902
281 2HD PRO 37 HD1 PRO 37 -5.464 7.044 0.306
Start of MODEL 2
1 1H VAL 1 HT1 VAL 1 -2.733 9.502 1.517
2 2H VAL 1 HT2 VAL 1 -2.373 10.222 3.013
3 3H VAL 1 HT3 VAL 1 -3.983 9.862 2.606
4 HA VAL 1 HA VAL 1 -2.731 8.282 4.207
5 HB VAL 1 HB VAL 1 -4.990 8.089 3.120
6 1HG1 VAL 1 HG11 VAL 1 -3.715 7.995 0.777
7 2HG1 VAL 1 HG12 VAL 1 -5.281 7.220 1.002
8 3HG1 VAL 1 HG13 VAL 1 -3.804 6.260 1.077
9 1HG2 VAL 1 HG21 VAL 1 -3.325 6.046 4.183
10 2HG2 VAL 1 HG22 VAL 1 -4.225 5.328 2.846
11 3HG2 VAL 1 HG23 VAL 1 -5.088 6.102 4.176
12 H PHE 2 HN PHE 2 -0.546 7.736 4.153
13 HA PHE 2 HA PHE 2 0.324 5.912 1.977
14 1HB PHE 2 HB2 PHE 2 1.355 8.666 2.577
15 2HB PHE 2 HB1 PHE 2 2.477 7.449 1.968
16 HD1 PHE 2 HD1 PHE 2 2.285 6.563 -0.280
17 HD2 PHE 2 HD2 PHE 2 -0.568 9.400 1.221
18 HE1 PHE 2 HE1 PHE 2 1.417 6.904 -2.576
19 HE2 PHE 2 HE2 PHE 2 -1.436 9.743 -1.075
20 HZ PHE 2 HZ PHE 2 -0.443 8.495 -2.975
21 H ILE 3 HN ILE 3 2.152 4.614 2.602
22 HA ILE 3 HA ILE 3 2.865 4.793 5.514
23 HB ILE 3 HB ILE 3 2.911 2.238 3.930
24 1HG1 ILE 3 HG12 ILE 3 0.446 3.448 5.230
25 2HG1 ILE 3 HG11 ILE 3 0.686 3.244 3.494
26 1HG2 ILE 3 HG21 ILE 3 3.380 3.002 6.601
27 2HG2 ILE 3 HG22 ILE 3 3.281 1.359 5.967
28 3HG2 ILE 3 HG23 ILE 3 1.839 2.144 6.614
29 1HD1 ILE 3 HD11 ILE 3 0.493 0.927 3.602
30 2HD1 ILE 3 HD12 ILE 3 -0.635 1.417 4.867
31 3HD1 ILE 3 HD13 ILE 3 0.984 0.863 5.295
32 H ASN 4 HN ASN 4 5.047 3.830 5.974
33 HA ASN 4 HA ASN 4 6.941 4.442 3.740
34 1HB ASN 4 HB2 ASN 4 8.544 4.677 5.694
35 2HB ASN 4 HB1 ASN 4 7.199 5.819 5.707
36 1HD2 ASN 4 HD21 ASN 4 7.218 6.019 8.056
37 2HD2 ASN 4 HD22 ASN 4 6.703 4.748 9.058
38 H ALA 5 HN ALA 5 5.629 1.842 5.522
39 HA ALA 5 HA ALA 5 7.643 0.006 5.986
40 1HB ALA 5 HB1 ALA 5 5.888 -1.466 6.026
41 2HB ALA 5 HB2 ALA 5 5.354 -1.015 4.406
42 3HB ALA 5 HB3 ALA 5 4.916 -0.013 5.790
43 H LYS 6 HN LYS 6 9.378 -0.486 4.696
44 HA LYS 6 HA LYS 6 9.607 0.047 1.918
45 1HB LYS 6 HB2 LYS 6 11.138 -0.971 4.043
46 2HB LYS 6 HB1 LYS 6 11.174 -2.226 2.803
47 1HG LYS 6 HG2 LYS 6 11.544 -0.023 1.261
48 2HG LYS 6 HG1 LYS 6 12.318 0.509 2.754
49 1HD LYS 6 HD2 LYS 6 13.249 -2.074 2.504
50 2HD LYS 6 HD1 LYS 6 13.183 -1.535 0.826
51 1HE LYS 6 HE2 LYS 6 15.142 -0.451 1.190
52 2HE LYS 6 HE1 LYS 6 14.264 0.638 2.283
53 1HZ LYS 6 HZ1 LYS 6 16.137 -0.633 3.338
54 2HZ LYS 6 HZ2 LYS 6 15.225 -2.046 3.100
55 3HZ LYS 6 HZ3 LYS 6 14.632 -0.806 4.100
56 H CYS 7 HN CYS 7 7.486 -0.838 1.154
57 HA CYS 7 HA CYS 7 6.765 -3.592 1.232
58 1HB CYS 7 HB2 CYS 7 5.355 -2.941 -0.706
59 2HB CYS 7 HB1 CYS 7 5.303 -1.716 0.562
60 H ARG 8 HN ARG 8 7.118 -5.270 -0.344
61 HA ARG 8 HA ARG 8 9.574 -4.857 -2.010
62 1HB ARG 8 HB2 ARG 8 8.298 -7.274 -0.698
63 2HB ARG 8 HB1 ARG 8 9.675 -7.386 -1.797
64 1HG ARG 8 HG2 ARG 8 10.513 -5.418 -0.089
65 2HG ARG 8 HG1 ARG 8 9.575 -6.443 0.997
66 1HD ARG 8 HD2 ARG 8 11.811 -7.331 1.022
67 2HD ARG 8 HD1 ARG 8 10.878 -8.426 -0.018
68 HE ARG 8 HE ARG 8 11.838 -6.363 -1.685
69 1HH1 ARG 8 HH11 ARG 8 14.244 -6.644 0.127
70 2HH1 ARG 8 HH12 ARG 8 15.166 -7.851 -0.706
71 1HH2 ARG 8 HH21 ARG 8 12.516 -8.892 -2.684
72 2HH2 ARG 8 HH22 ARG 8 14.187 -9.125 -2.294
73 H GLY 9 HN GLY 9 6.189 -5.714 -2.109
74 1HA GLY 9 HA2 GLY 9 6.408 -5.941 -5.064
75 2HA GLY 9 HA1 GLY 9 5.596 -7.238 -4.186
76 H SER 10 HN SER 10 4.428 -5.445 -6.158
77 HA SER 10 HA SER 10 2.847 -3.382 -4.958
78 1HB SER 10 HB2 SER 10 2.536 -3.107 -7.174
79 2HB SER 10 HB1 SER 10 3.262 -4.681 -7.481
80 HG SER 10 HG SER 10 0.841 -4.093 -7.957
81 HA PRO 11 HA PRO 11 -0.647 -6.768 -4.860
82 1HB PRO 11 HB2 PRO 11 0.674 -9.309 -4.561
83 2HB PRO 11 HB1 PRO 11 -0.380 -8.773 -5.874
84 1HG PRO 11 HG2 PRO 11 2.445 -9.186 -5.973
85 2HG PRO 11 HG1 PRO 11 1.399 -8.573 -7.258
86 1HD PRO 11 HD2 PRO 11 3.334 -7.119 -5.669
87 2HD PRO 11 HD1 PRO 11 2.355 -6.517 -7.028
88 H GLU 12 HN GLU 12 2.364 -6.895 -3.085
89 HA GLU 12 HA GLU 12 1.282 -8.154 -0.689
90 1HB GLU 12 HB2 GLU 12 3.770 -7.424 -1.756
91 2HB GLU 12 HB1 GLU 12 3.589 -6.406 -0.326
92 1HG GLU 12 HG2 GLU 12 2.895 -8.540 0.917
93 2HG GLU 12 HG1 GLU 12 3.501 -9.423 -0.486
94 H CYS 13 HN CYS 13 1.778 -4.819 -1.808
95 HA CYS 13 HA CYS 13 1.088 -3.518 0.666
96 1HB CYS 13 HB2 CYS 13 1.672 -2.896 -2.122
97 2HB CYS 13 HB1 CYS 13 0.413 -1.843 -1.476
98 H LEU 14 HN LEU 14 -0.814 -4.983 -1.879
99 HA LEU 14 HA LEU 14 -3.269 -3.590 -1.559
100 1HB LEU 14 HB2 LEU 14 -2.235 -6.058 -2.724
101 2HB LEU 14 HB1 LEU 14 -3.880 -6.256 -2.122
102 HG LEU 14 HG LEU 14 -3.953 -5.488 -4.440
103 1HD1 LEU 14 HD11 LEU 14 -5.064 -4.049 -2.197
104 2HD1 LEU 14 HD12 LEU 14 -5.784 -4.363 -3.776
105 3HD1 LEU 14 HD13 LEU 14 -4.773 -2.939 -3.536
106 1HD2 LEU 14 HD21 LEU 14 -2.333 -3.131 -3.419
107 2HD2 LEU 14 HD22 LEU 14 -2.985 -3.296 -5.050
108 3HD2 LEU 14 HD23 LEU 14 -1.734 -4.402 -4.485
109 HA PRO 15 HA PRO 15 -4.504 -6.981 1.699
110 1HB PRO 15 HB2 PRO 15 -2.053 -8.109 2.696
111 2HB PRO 15 HB1 PRO 15 -3.364 -8.938 1.852
112 1HG PRO 15 HG2 PRO 15 -0.741 -8.274 0.853
113 2HG PRO 15 HG1 PRO 15 -2.027 -9.170 0.041
114 1HD PRO 15 HD2 PRO 15 -1.117 -6.525 -0.562
115 2HD PRO 15 HD1 PRO 15 -2.497 -7.386 -1.285
116 H LYS 16 HN LYS 16 -1.193 -5.685 2.195
117 HA LYS 16 HA LYS 16 -1.546 -4.949 4.945
118 1HB LYS 16 HB2 LYS 16 0.303 -4.321 2.679
119 2HB LYS 16 HB1 LYS 16 0.382 -3.294 4.111
120 1HG LYS 16 HG2 LYS 16 0.464 -5.528 5.437
121 2HG LYS 16 HG1 LYS 16 0.897 -6.254 3.889
122 1HD LYS 16 HD2 LYS 16 3.025 -5.614 4.255
123 2HD LYS 16 HD1 LYS 16 2.491 -3.940 4.111
124 1HE LYS 16 HE2 LYS 16 1.715 -4.461 6.669
125 2HE LYS 16 HE1 LYS 16 3.153 -5.496 6.548
126 1HZ LYS 16 HZ1 LYS 16 2.929 -2.585 6.220
127 2HZ LYS 16 HZ2 LYS 16 4.108 -3.416 5.322
128 3HZ LYS 16 HZ3 LYS 16 4.122 -3.488 7.019
129 H CYS 17 HN CYS 17 -1.637 -2.916 1.990
130 HA CYS 17 HA CYS 17 -2.388 -0.478 3.198
131 1HB CYS 17 HB2 CYS 17 -1.690 -0.711 0.872
132 2HB CYS 17 HB1 CYS 17 -3.099 -1.711 0.517
133 H LYS 18 HN LYS 18 -4.396 -3.235 2.206
134 HA LYS 18 HA LYS 18 -6.959 -2.020 2.549
135 1HB LYS 18 HB2 LYS 18 -6.565 -4.129 1.378
136 2HB LYS 18 HB1 LYS 18 -5.979 -4.875 2.865
137 1HG LYS 18 HG2 LYS 18 -8.381 -4.017 3.735
138 2HG LYS 18 HG1 LYS 18 -8.765 -4.253 2.029
139 1HD LYS 18 HD2 LYS 18 -7.327 -6.521 2.586
140 2HD LYS 18 HD1 LYS 18 -8.166 -6.251 4.114
141 1HE LYS 18 HE2 LYS 18 -9.532 -6.321 1.397
142 2HE LYS 18 HE1 LYS 18 -9.521 -7.660 2.562
143 1HZ LYS 18 HZ1 LYS 18 -10.708 -4.970 2.862
144 2HZ LYS 18 HZ2 LYS 18 -10.308 -5.907 4.221
145 3HZ LYS 18 HZ3 LYS 18 -11.443 -6.480 3.095
146 H GLU 19 HN GLU 19 -4.894 -3.830 4.849
147 HA GLU 19 HA GLU 19 -6.797 -3.624 7.038
148 1HB GLU 19 HB2 GLU 19 -4.972 -4.612 8.308
149 2HB GLU 19 HB1 GLU 19 -5.008 -5.370 6.717
150 1HG GLU 19 HG2 GLU 19 -2.982 -4.526 6.144
151 2HG GLU 19 HG1 GLU 19 -3.347 -2.944 6.830
152 H ALA 20 HN ALA 20 -4.499 -1.468 5.645
153 HA ALA 20 HA ALA 20 -4.190 0.129 8.124
154 1HB ALA 20 HB1 ALA 20 -2.469 -0.480 6.189
155 2HB ALA 20 HB2 ALA 20 -2.397 1.087 6.994
156 3HB ALA 20 HB3 ALA 20 -3.180 0.938 5.420
157 H ILE 21 HN ILE 21 -5.779 0.299 4.952
158 HA ILE 21 HA ILE 21 -6.985 2.920 5.755
159 HB ILE 21 HB ILE 21 -5.623 2.868 3.693
160 1HG1 ILE 21 HG12 ILE 21 -8.472 3.022 2.754
161 2HG1 ILE 21 HG11 ILE 21 -7.904 4.156 3.979
162 1HG2 ILE 21 HG21 ILE 21 -5.711 1.123 2.276
163 2HG2 ILE 21 HG22 ILE 21 -7.441 1.363 2.034
164 3HG2 ILE 21 HG23 ILE 21 -6.869 0.352 3.362
165 1HD1 ILE 21 HD11 ILE 21 -6.298 5.099 2.544
166 2HD1 ILE 21 HD12 ILE 21 -7.673 4.831 1.474
167 3HD1 ILE 21 HD13 ILE 21 -6.313 3.707 1.462
168 H GLY 22 HN GLY 22 -7.668 -0.412 5.224
169 1HA GLY 22 HA2 GLY 22 -9.789 -1.374 5.912
170 2HA GLY 22 HA1 GLY 22 -10.567 0.166 5.549
171 H LYS 23 HN LYS 23 -8.764 0.049 2.968
172 HA LYS 23 HA LYS 23 -10.406 -1.949 1.464
173 1HB LYS 23 HB2 LYS 23 -11.431 0.338 1.441
174 2HB LYS 23 HB1 LYS 23 -9.955 0.952 0.695
175 1HG LYS 23 HG2 LYS 23 -11.842 0.375 -0.918
176 2HG LYS 23 HG1 LYS 23 -10.285 -0.376 -1.268
177 1HD LYS 23 HD2 LYS 23 -10.987 -2.482 -0.576
178 2HD LYS 23 HD1 LYS 23 -12.233 -1.830 0.488
179 1HE LYS 23 HE2 LYS 23 -13.784 -1.939 -1.161
180 2HE LYS 23 HE1 LYS 23 -12.719 -1.075 -2.288
181 1HZ LYS 23 HZ1 LYS 23 -11.411 -3.321 -2.203
182 2HZ LYS 23 HZ2 LYS 23 -12.742 -3.143 -3.245
183 3HZ LYS 23 HZ3 LYS 23 -12.920 -3.958 -1.765
184 H ALA 24 HN ALA 24 -9.065 -3.162 0.197
185 HA ALA 24 HA ALA 24 -6.254 -2.652 -0.065
186 1HB ALA 24 HB1 ALA 24 -6.538 -4.853 -0.511
187 2HB ALA 24 HB2 ALA 24 -7.089 -4.385 -2.119
188 3HB ALA 24 HB3 ALA 24 -8.258 -4.617 -0.818
189 H ALA 25 HN ALA 25 -6.449 -0.350 -0.881
190 HA ALA 25 HA ALA 25 -6.712 -0.330 -3.868
191 1HB ALA 25 HB1 ALA 25 -8.683 0.687 -2.859
192 2HB ALA 25 HB2 ALA 25 -7.689 1.970 -3.547
193 3HB ALA 25 HB3 ALA 25 -7.675 1.681 -1.808
194 H GLY 26 HN GLY 26 -4.237 -0.715 -3.279
195 1HA GLY 26 HA2 GLY 26 -2.912 1.872 -3.630
196 2HA GLY 26 HA1 GLY 26 -2.520 1.065 -2.113
197 H LYS 27 HN LYS 27 -0.318 1.245 -3.353
198 HA LYS 27 HA LYS 27 0.191 -1.426 -4.549
199 1HB LYS 27 HB2 LYS 27 0.366 1.245 -5.898
200 2HB LYS 27 HB1 LYS 27 1.549 0.013 -6.329
201 1HG LYS 27 HG2 LYS 27 0.009 -0.884 -7.704
202 2HG LYS 27 HG1 LYS 27 -0.926 -1.322 -6.275
203 1HD LYS 27 HD2 LYS 27 -2.405 -0.026 -7.624
204 2HD LYS 27 HD1 LYS 27 -1.866 1.059 -6.341
205 1HE LYS 27 HE2 LYS 27 0.072 1.579 -8.133
206 2HE LYS 27 HE1 LYS 27 -1.225 1.117 -9.254
207 1HZ LYS 27 HZ1 LYS 27 -1.257 3.508 -8.569
208 2HZ LYS 27 HZ2 LYS 27 -1.614 2.994 -6.989
209 3HZ LYS 27 HZ3 LYS 27 -2.695 2.667 -8.257
210 H CYS 28 HN CYS 28 2.830 -0.912 -5.360
211 HA CYS 28 HA CYS 28 4.156 0.076 -2.856
212 1HB CYS 28 HB2 CYS 28 4.132 -2.315 -2.749
213 2HB CYS 28 HB1 CYS 28 4.545 -2.465 -4.457
214 H MET 29 HN MET 29 5.466 1.771 -3.439
215 HA MET 29 HA MET 29 7.209 1.483 -5.823
216 1HB MET 29 HB2 MET 29 4.851 3.249 -5.531
217 2HB MET 29 HB1 MET 29 6.297 4.034 -6.168
218 1HG MET 29 HG2 MET 29 5.957 3.073 -8.171
219 2HG MET 29 HG1 MET 29 6.026 1.476 -7.427
220 1HE MET 29 HE1 MET 29 4.407 2.304 -9.964
221 2HE MET 29 HE2 MET 29 4.010 3.911 -9.361
222 3HE MET 29 HE3 MET 29 2.717 2.777 -9.744
223 H ASN 30 HN ASN 30 8.911 3.196 -5.833
224 HA ASN 30 HA ASN 30 10.627 4.336 -4.664
225 1HB ASN 30 HB2 ASN 30 8.344 5.746 -4.672
226 2HB ASN 30 HB1 ASN 30 8.499 5.518 -2.931
227 1HD2 ASN 30 HD21 ASN 30 8.773 8.089 -3.454
228 2HD2 ASN 30 HD22 ASN 30 10.389 8.595 -3.553
229 H GLY 31 HN GLY 31 9.473 1.733 -3.500
230 1HA GLY 31 HA2 GLY 31 9.995 0.416 -1.625
231 2HA GLY 31 HA1 GLY 31 11.048 1.722 -1.080
232 H LYS 32 HN LYS 32 7.686 2.343 -1.793
233 HA LYS 32 HA LYS 32 7.057 2.380 1.134
234 1HB LYS 32 HB2 LYS 32 6.744 4.561 -0.946
235 2HB LYS 32 HB1 LYS 32 5.918 4.607 0.612
236 1HG LYS 32 HG2 LYS 32 8.106 4.446 1.764
237 2HG LYS 32 HG1 LYS 32 8.919 4.448 0.200
238 1HD LYS 32 HD2 LYS 32 8.881 6.710 1.230
239 2HD LYS 32 HD1 LYS 32 8.010 6.665 -0.303
240 1HE LYS 32 HE2 LYS 32 6.046 7.212 0.702
241 2HE LYS 32 HE1 LYS 32 6.289 6.009 1.984
242 1HZ LYS 32 HZ1 LYS 32 7.631 8.656 1.802
243 2HZ LYS 32 HZ2 LYS 32 7.916 7.490 3.005
244 3HZ LYS 32 HZ3 LYS 32 6.398 8.246 2.892
245 H CYS 33 HN CYS 33 4.552 2.819 1.346
246 HA CYS 33 HA CYS 33 3.181 1.144 -0.734
247 1HB CYS 33 HB2 CYS 33 3.481 0.487 1.787
248 2HB CYS 33 HB1 CYS 33 2.178 1.645 2.059
249 H LYS 34 HN LYS 34 1.914 2.379 -2.056
250 HA LYS 34 HA LYS 34 0.822 4.963 -1.057
251 1HB LYS 34 HB2 LYS 34 0.661 3.751 -3.827
252 2HB LYS 34 HB1 LYS 34 0.559 5.455 -3.388
253 1HG LYS 34 HG2 LYS 34 2.882 5.532 -2.793
254 2HG LYS 34 HG1 LYS 34 3.029 3.777 -2.894
255 1HD LYS 34 HD2 LYS 34 3.966 4.849 -4.907
256 2HD LYS 34 HD1 LYS 34 2.556 3.873 -5.314
257 1HE LYS 34 HE2 LYS 34 1.789 6.600 -4.608
258 2HE LYS 34 HE1 LYS 34 2.911 6.560 -5.983
259 1HZ LYS 34 HZ1 LYS 34 0.282 5.266 -5.698
260 2HZ LYS 34 HZ2 LYS 34 1.455 4.554 -6.699
261 3HZ LYS 34 HZ3 LYS 34 0.912 6.132 -7.014
262 H CYS 35 HN CYS 35 -1.481 5.370 -1.154
263 HA CYS 35 HA CYS 35 -3.245 3.086 -1.860
264 1HB CYS 35 HB2 CYS 35 -2.946 4.346 0.880
265 2HB CYS 35 HB1 CYS 35 -4.324 3.342 0.431
266 H TYR 36 HN TYR 36 -5.467 3.745 -2.140
267 HA TYR 36 HA TYR 36 -5.928 6.703 -2.111
268 1HB TYR 36 HB2 TYR 36 -6.231 4.648 -4.284
269 2HB TYR 36 HB1 TYR 36 -7.270 6.074 -4.290
270 HD1 TYR 36 HD1 TYR 36 -6.496 8.037 -5.294
271 HD2 TYR 36 HD2 TYR 36 -3.662 5.121 -3.906
272 HE1 TYR 36 HE1 TYR 36 -4.642 9.380 -6.251
273 HE2 TYR 36 HE2 TYR 36 -1.811 6.464 -4.862
274 HH TYR 36 HH TYR 36 -1.570 8.189 -6.736
275 HA PRO 37 HA PRO 37 -9.483 5.328 0.236
276 1HB PRO 37 HB2 PRO 37 -10.786 7.837 -0.294
277 2HB PRO 37 HB1 PRO 37 -9.973 7.323 1.188
278 1HG PRO 37 HG2 PRO 37 -9.078 9.267 -0.723
279 2HG PRO 37 HG1 PRO 37 -8.270 8.749 0.758
280 1HD PRO 37 HD2 PRO 37 -7.518 8.160 -1.965
281 2HD PRO 37 HD1 PRO 37 -6.710 7.628 -0.469
Start of MODEL 3
1 1H VAL 1 HT1 VAL 1 -2.312 9.108 1.159
2 2H VAL 1 HT2 VAL 1 -3.327 9.962 2.221
3 3H VAL 1 HT3 VAL 1 -3.938 8.657 1.321
4 HA VAL 1 HA VAL 1 -2.435 8.648 3.803
5 HB VAL 1 HB VAL 1 -4.331 6.785 2.335
6 1HG1 VAL 1 HG11 VAL 1 -4.611 6.234 4.985
7 2HG1 VAL 1 HG12 VAL 1 -2.890 6.616 4.917
8 3HG1 VAL 1 HG13 VAL 1 -3.549 5.326 3.909
9 1HG2 VAL 1 HG21 VAL 1 -5.256 8.189 4.739
10 2HG2 VAL 1 HG22 VAL 1 -6.035 8.034 3.164
11 3HG2 VAL 1 HG23 VAL 1 -4.823 9.287 3.429
12 H PHE 2 HN PHE 2 -0.257 8.596 2.614
13 HA PHE 2 HA PHE 2 0.371 5.954 1.385
14 1HB PHE 2 HB2 PHE 2 1.593 8.700 1.499
15 2HB PHE 2 HB1 PHE 2 2.609 7.322 1.079
16 HD1 PHE 2 HD1 PHE 2 2.818 8.682 -1.136
17 HD2 PHE 2 HD2 PHE 2 -0.813 6.797 0.178
18 HE1 PHE 2 HE1 PHE 2 1.945 8.743 -3.456
19 HE2 PHE 2 HE2 PHE 2 -1.684 6.858 -2.143
20 HZ PHE 2 HZ PHE 2 -0.304 7.830 -3.960
21 H ILE 3 HN ILE 3 1.911 4.558 2.342
22 HA ILE 3 HA ILE 3 2.853 5.339 5.084
23 HB ILE 3 HB ILE 3 2.627 2.851 5.533
24 1HG1 ILE 3 HG12 ILE 3 0.960 2.833 3.014
25 2HG1 ILE 3 HG11 ILE 3 2.660 2.361 3.001
26 1HG2 ILE 3 HG21 ILE 3 0.902 4.470 6.239
27 2HG2 ILE 3 HG22 ILE 3 0.168 2.944 5.747
28 3HG2 ILE 3 HG23 ILE 3 0.127 4.333 4.661
29 1HD1 ILE 3 HD11 ILE 3 1.458 0.332 3.324
30 2HD1 ILE 3 HD12 ILE 3 0.384 1.071 4.512
31 3HD1 ILE 3 HD13 ILE 3 2.072 0.765 4.920
32 H ASN 4 HN ASN 4 5.027 5.019 5.483
33 HA ASN 4 HA ASN 4 6.806 4.432 3.252
34 1HB ASN 4 HB2 ASN 4 8.525 4.876 4.973
35 2HB ASN 4 HB1 ASN 4 7.251 6.094 5.037
36 1HD2 ASN 4 HD21 ASN 4 7.242 6.576 7.281
37 2HD2 ASN 4 HD22 ASN 4 6.948 5.419 8.487
38 H ALA 5 HN ALA 5 5.004 2.393 5.134
39 HA ALA 5 HA ALA 5 6.567 0.383 6.201
40 1HB ALA 5 HB1 ALA 5 3.944 0.737 5.319
41 2HB ALA 5 HB2 ALA 5 4.561 -0.676 6.176
42 3HB ALA 5 HB3 ALA 5 4.506 -0.667 4.412
43 H LYS 6 HN LYS 6 8.595 0.119 5.128
44 HA LYS 6 HA LYS 6 9.162 -0.132 2.414
45 1HB LYS 6 HB2 LYS 6 11.033 -1.621 3.238
46 2HB LYS 6 HB1 LYS 6 10.856 -0.123 4.152
47 1HG LYS 6 HG2 LYS 6 10.723 -1.401 6.008
48 2HG LYS 6 HG1 LYS 6 9.134 -1.908 5.434
49 1HD LYS 6 HD2 LYS 6 9.875 -3.970 4.855
50 2HD LYS 6 HD1 LYS 6 11.352 -3.330 4.134
51 1HE LYS 6 HE2 LYS 6 10.890 -3.641 7.126
52 2HE LYS 6 HE1 LYS 6 11.853 -4.745 6.124
53 1HZ LYS 6 HZ1 LYS 6 13.548 -3.337 6.231
54 2HZ LYS 6 HZ2 LYS 6 12.646 -2.294 7.223
55 3HZ LYS 6 HZ3 LYS 6 12.611 -2.106 5.535
56 H CYS 7 HN CYS 7 7.400 -1.224 1.315
57 HA CYS 7 HA CYS 7 6.655 -3.956 2.053
58 1HB CYS 7 HB2 CYS 7 5.099 -3.719 0.269
59 2HB CYS 7 HB1 CYS 7 5.262 -2.094 0.930
60 H ARG 8 HN ARG 8 6.605 -5.445 -0.170
61 HA ARG 8 HA ARG 8 9.482 -5.639 -0.993
62 1HB ARG 8 HB2 ARG 8 7.316 -7.550 -0.256
63 2HB ARG 8 HB1 ARG 8 8.439 -8.074 -1.512
64 1HG ARG 8 HG2 ARG 8 9.364 -6.933 1.133
65 2HG ARG 8 HG1 ARG 8 9.115 -8.661 0.874
66 1HD ARG 8 HD2 ARG 8 10.648 -8.278 -1.240
67 2HD ARG 8 HD1 ARG 8 11.189 -6.851 -0.334
68 HE ARG 8 HE ARG 8 11.155 -9.542 0.969
69 1HH1 ARG 8 HH21 ARG 8 12.063 -6.866 2.222
70 2HH1 ARG 8 HH22 ARG 8 13.782 -7.054 2.146
71 1HH2 ARG 8 HH11 ARG 8 13.659 -9.704 -0.088
72 2HH2 ARG 8 HH12 ARG 8 14.687 -8.662 0.839
73 H GLY 9 HN GLY 9 6.154 -5.478 -2.123
74 1HA GLY 9 HA2 GLY 9 7.044 -4.804 -4.808
75 2HA GLY 9 HA1 GLY 9 6.300 -6.401 -4.733
76 H SER 10 HN SER 10 4.829 -5.058 -6.267
77 HA SER 10 HA SER 10 3.014 -3.117 -5.157
78 1HB SER 10 HB2 SER 10 3.021 -2.964 -7.428
79 2HB SER 10 HB1 SER 10 3.453 -4.658 -7.630
80 HG SER 10 HG SER 10 1.300 -5.201 -7.253
81 HA PRO 11 HA PRO 11 -0.067 -6.887 -5.067
82 1HB PRO 11 HB2 PRO 11 1.524 -9.229 -4.553
83 2HB PRO 11 HB1 PRO 11 0.485 -8.895 -5.942
84 1HG PRO 11 HG2 PRO 11 3.343 -8.962 -5.879
85 2HG PRO 11 HG1 PRO 11 2.301 -8.569 -7.251
86 1HD PRO 11 HD2 PRO 11 3.961 -6.784 -5.695
87 2HD PRO 11 HD1 PRO 11 2.966 -6.391 -7.118
88 H GLU 12 HN GLU 12 2.665 -6.212 -3.113
89 HA GLU 12 HA GLU 12 1.639 -7.594 -0.711
90 1HB GLU 12 HB2 GLU 12 4.102 -7.048 -1.538
91 2HB GLU 12 HB1 GLU 12 3.804 -5.515 -0.718
92 1HG GLU 12 HG2 GLU 12 4.513 -6.630 1.137
93 2HG GLU 12 HG1 GLU 12 2.880 -7.297 1.141
94 H CYS 13 HN CYS 13 1.384 -4.509 -2.265
95 HA CYS 13 HA CYS 13 0.774 -2.859 0.010
96 1HB CYS 13 HB2 CYS 13 0.695 -2.793 -2.925
97 2HB CYS 13 HB1 CYS 13 -0.573 -1.820 -2.180
98 H LEU 14 HN LEU 14 -1.220 -4.892 -2.126
99 HA LEU 14 HA LEU 14 -3.800 -4.098 -1.452
100 1HB LEU 14 HB2 LEU 14 -2.423 -6.426 -2.473
101 2HB LEU 14 HB1 LEU 14 -3.772 -6.923 -1.452
102 HG LEU 14 HG LEU 14 -4.447 -6.592 -3.833
103 1HD1 LEU 14 HD11 LEU 14 -6.432 -6.160 -2.859
104 2HD1 LEU 14 HD12 LEU 14 -6.022 -4.445 -2.881
105 3HD1 LEU 14 HD13 LEU 14 -5.630 -5.428 -1.470
106 1HD2 LEU 14 HD21 LEU 14 -2.739 -4.519 -3.864
107 2HD2 LEU 14 HD22 LEU 14 -4.217 -3.637 -3.479
108 3HD2 LEU 14 HD23 LEU 14 -4.125 -4.601 -4.953
109 HA PRO 15 HA PRO 15 -3.724 -7.001 2.455
110 1HB PRO 15 HB2 PRO 15 -0.956 -7.357 3.155
111 2HB PRO 15 HB1 PRO 15 -2.129 -8.598 2.703
112 1HG PRO 15 HG2 PRO 15 0.081 -7.582 1.150
113 2HG PRO 15 HG1 PRO 15 -1.039 -8.884 0.741
114 1HD PRO 15 HD2 PRO 15 -0.913 -6.285 -0.439
115 2HD PRO 15 HD1 PRO 15 -2.134 -7.543 -0.735
116 H LYS 16 HN LYS 16 -0.910 -4.840 2.018
117 HA LYS 16 HA LYS 16 -0.916 -3.729 4.664
118 1HB LYS 16 HB2 LYS 16 0.214 -3.149 1.975
119 2HB LYS 16 HB1 LYS 16 0.187 -1.803 3.116
120 1HG LYS 16 HG2 LYS 16 2.295 -3.048 3.324
121 2HG LYS 16 HG1 LYS 16 1.335 -3.223 4.794
122 1HD LYS 16 HD2 LYS 16 0.421 -5.379 3.807
123 2HD LYS 16 HD1 LYS 16 1.652 -5.231 2.553
124 1HE LYS 16 HE2 LYS 16 3.390 -5.692 4.013
125 2HE LYS 16 HE1 LYS 16 2.537 -4.999 5.406
126 1HZ LYS 16 HZ1 LYS 16 0.865 -6.883 4.976
127 2HZ LYS 16 HZ2 LYS 16 2.327 -7.270 5.749
128 3HZ LYS 16 HZ3 LYS 16 2.119 -7.613 4.098
129 H CYS 17 HN CYS 17 -2.264 -2.431 1.593
130 HA CYS 17 HA CYS 17 -3.432 -0.075 2.652
131 1HB CYS 17 HB2 CYS 17 -4.247 -1.938 0.401
132 2HB CYS 17 HB1 CYS 17 -4.939 -0.334 0.636
133 H LYS 18 HN LYS 18 -4.842 -3.340 2.277
134 HA LYS 18 HA LYS 18 -7.429 -2.742 3.330
135 1HB LYS 18 HB2 LYS 18 -6.764 -4.775 2.062
136 2HB LYS 18 HB1 LYS 18 -5.791 -5.298 3.436
137 1HG LYS 18 HG2 LYS 18 -7.609 -5.972 4.630
138 2HG LYS 18 HG1 LYS 18 -8.584 -4.602 4.098
139 1HD LYS 18 HD2 LYS 18 -9.682 -6.138 2.835
140 2HD LYS 18 HD1 LYS 18 -8.287 -6.012 1.761
141 1HE LYS 18 HE2 LYS 18 -7.193 -7.861 3.111
142 2HE LYS 18 HE1 LYS 18 -8.750 -8.078 3.934
143 1HZ LYS 18 HZ1 LYS 18 -8.725 -7.894 1.008
144 2HZ LYS 18 HZ2 LYS 18 -9.785 -8.745 2.028
145 3HZ LYS 18 HZ3 LYS 18 -8.229 -9.353 1.718
146 H GLU 19 HN GLU 19 -4.365 -3.558 4.897
147 HA GLU 19 HA GLU 19 -5.627 -3.739 7.564
148 1HB GLU 19 HB2 GLU 19 -3.751 -5.203 6.735
149 2HB GLU 19 HB1 GLU 19 -2.712 -3.777 6.715
150 1HG GLU 19 HG2 GLU 19 -3.899 -3.725 9.244
151 2HG GLU 19 HG1 GLU 19 -3.527 -5.429 8.971
152 H ALA 20 HN ALA 20 -4.346 -1.301 5.537
153 HA ALA 20 HA ALA 20 -3.348 0.434 7.695
154 1HB ALA 20 HB1 ALA 20 -2.257 1.240 5.888
155 2HB ALA 20 HB2 ALA 20 -3.792 1.815 5.236
156 3HB ALA 20 HB3 ALA 20 -3.214 0.197 4.836
157 H ILE 21 HN ILE 21 -6.090 0.500 5.386
158 HA ILE 21 HA ILE 21 -7.532 2.289 7.320
159 HB ILE 21 HB ILE 21 -8.597 3.150 5.114
160 1HG1 ILE 21 HG12 ILE 21 -6.096 1.798 4.044
161 2HG1 ILE 21 HG11 ILE 21 -7.755 1.316 3.689
162 1HG2 ILE 21 HG21 ILE 21 -7.278 4.866 5.737
163 2HG2 ILE 21 HG22 ILE 21 -6.007 4.173 4.730
164 3HG2 ILE 21 HG23 ILE 21 -6.095 3.765 6.444
165 1HD1 ILE 21 HD11 ILE 21 -7.981 2.926 2.123
166 2HD1 ILE 21 HD12 ILE 21 -6.237 3.157 2.244
167 3HD1 ILE 21 HD13 ILE 21 -7.328 4.158 3.202
168 H GLY 22 HN GLY 22 -7.760 -0.311 4.922
169 1HA GLY 22 HA2 GLY 22 -9.343 -2.164 5.632
170 2HA GLY 22 HA1 GLY 22 -10.519 -0.883 5.932
171 H LYS 23 HN LYS 23 -8.340 -0.695 3.213
172 HA LYS 23 HA LYS 23 -10.618 -1.355 1.377
173 1HB LYS 23 HB2 LYS 23 -8.617 0.916 1.421
174 2HB LYS 23 HB1 LYS 23 -9.535 0.519 -0.029
175 1HG LYS 23 HG2 LYS 23 -11.335 0.596 2.203
176 2HG LYS 23 HG1 LYS 23 -10.385 2.083 2.183
177 1HD LYS 23 HD2 LYS 23 -10.980 2.466 -0.160
178 2HD LYS 23 HD1 LYS 23 -11.870 0.944 -0.203
179 1HE LYS 23 HE2 LYS 23 -12.701 2.689 2.013
180 2HE LYS 23 HE1 LYS 23 -12.994 3.393 0.410
181 1HZ LYS 23 HZ1 LYS 23 -13.983 0.856 1.528
182 2HZ LYS 23 HZ2 LYS 23 -13.757 0.994 -0.151
183 3HZ LYS 23 HZ3 LYS 23 -14.825 2.041 0.655
184 H ALA 24 HN ALA 24 -9.000 -0.936 -0.975
185 HA ALA 24 HA ALA 24 -6.622 -2.644 -0.771
186 1HB ALA 24 HB1 ALA 24 -7.790 -4.562 -1.055
187 2HB ALA 24 HB2 ALA 24 -8.195 -3.990 -2.674
188 3HB ALA 24 HB3 ALA 24 -9.286 -3.668 -1.325
189 H ALA 25 HN ALA 25 -6.954 0.000 -1.712
190 HA ALA 25 HA ALA 25 -6.491 -0.365 -4.654
191 1HB ALA 25 HB1 ALA 25 -8.137 1.583 -3.069
192 2HB ALA 25 HB2 ALA 25 -8.546 0.739 -4.563
193 3HB ALA 25 HB3 ALA 25 -7.435 2.109 -4.599
194 H GLY 26 HN GLY 26 -4.224 -0.255 -4.602
195 1HA GLY 26 HA2 GLY 26 -2.955 2.270 -4.437
196 2HA GLY 26 HA1 GLY 26 -2.707 1.458 -2.891
197 H LYS 27 HN LYS 27 -0.459 1.948 -4.310
198 HA LYS 27 HA LYS 27 0.324 -0.781 -5.252
199 1HB LYS 27 HB2 LYS 27 1.066 1.844 -6.585
200 2HB LYS 27 HB1 LYS 27 1.428 0.221 -7.175
201 1HG LYS 27 HG2 LYS 27 -1.038 -0.217 -7.309
202 2HG LYS 27 HG1 LYS 27 -1.318 1.473 -6.886
203 1HD LYS 27 HD2 LYS 27 0.461 0.732 -9.205
204 2HD LYS 27 HD1 LYS 27 -1.288 0.849 -9.402
205 1HE LYS 27 HE2 LYS 27 0.500 3.065 -8.333
206 2HE LYS 27 HE1 LYS 27 -0.215 3.009 -9.957
207 1HZ LYS 27 HZ1 LYS 27 -2.345 2.488 -8.449
208 2HZ LYS 27 HZ2 LYS 27 -1.918 4.056 -8.942
209 3HZ LYS 27 HZ3 LYS 27 -1.492 3.504 -7.392
210 H CYS 28 HN CYS 28 2.948 -0.546 -5.609
211 HA CYS 28 HA CYS 28 3.996 0.989 -3.265
212 1HB CYS 28 HB2 CYS 28 3.584 -1.713 -3.311
213 2HB CYS 28 HB1 CYS 28 5.254 -1.617 -3.871
214 H MET 29 HN MET 29 5.848 2.125 -3.718
215 HA MET 29 HA MET 29 7.499 1.342 -6.075
216 1HB MET 29 HB2 MET 29 5.550 3.391 -6.016
217 2HB MET 29 HB1 MET 29 7.112 4.207 -5.943
218 1HG MET 29 HG2 MET 29 7.829 2.710 -7.886
219 2HG MET 29 HG1 MET 29 6.130 2.266 -8.045
220 1HE MET 29 HE1 MET 29 8.077 3.820 -10.289
221 2HE MET 29 HE2 MET 29 6.712 4.654 -11.027
222 3HE MET 29 HE3 MET 29 6.521 2.997 -10.460
223 H ASN 30 HN ASN 30 9.686 1.971 -5.847
224 HA ASN 30 HA ASN 30 11.642 2.613 -4.692
225 1HB ASN 30 HB2 ASN 30 9.624 4.610 -3.621
226 2HB ASN 30 HB1 ASN 30 11.371 4.762 -3.439
227 1HD2 ASN 30 HD21 ASN 30 10.009 6.770 -4.855
228 2HD2 ASN 30 HD22 ASN 30 10.385 6.656 -6.507
229 H GLY 31 HN GLY 31 9.338 0.875 -3.329
230 1HA GLY 31 HA2 GLY 31 9.597 -0.520 -1.403
231 2HA GLY 31 HA1 GLY 31 10.834 0.584 -0.804
232 H LYS 32 HN LYS 32 7.659 1.655 -1.906
233 HA LYS 32 HA LYS 32 6.809 2.054 0.930
234 1HB LYS 32 HB2 LYS 32 7.276 4.111 -1.230
235 2HB LYS 32 HB1 LYS 32 6.131 4.427 0.073
236 1HG LYS 32 HG2 LYS 32 7.775 4.705 1.615
237 2HG LYS 32 HG1 LYS 32 8.722 3.357 0.981
238 1HD LYS 32 HD2 LYS 32 10.072 4.781 -0.116
239 2HD LYS 32 HD1 LYS 32 8.687 5.467 -0.968
240 1HE LYS 32 HE2 LYS 32 8.978 6.314 1.865
241 2HE LYS 32 HE1 LYS 32 10.212 6.922 0.743
242 1HZ LYS 32 HZ1 LYS 32 7.296 7.296 0.673
243 2HZ LYS 32 HZ2 LYS 32 8.157 7.275 -0.791
244 3HZ LYS 32 HZ3 LYS 32 8.529 8.428 0.401
245 H CYS 33 HN CYS 33 4.536 1.962 1.167
246 HA CYS 33 HA CYS 33 3.052 1.020 -1.226
247 1HB CYS 33 HB2 CYS 33 3.136 -0.091 1.089
248 2HB CYS 33 HB1 CYS 33 2.104 1.228 1.636
249 H LYS 34 HN LYS 34 1.150 2.047 -1.980
250 HA LYS 34 HA LYS 34 0.509 4.718 -0.779
251 1HB LYS 34 HB2 LYS 34 0.918 3.927 -3.680
252 2HB LYS 34 HB1 LYS 34 0.261 5.483 -3.173
253 1HG LYS 34 HG2 LYS 34 2.388 6.217 -3.033
254 2HG LYS 34 HG1 LYS 34 2.565 5.172 -1.622
255 1HD LYS 34 HD2 LYS 34 4.332 4.605 -3.166
256 2HD LYS 34 HD1 LYS 34 3.158 3.290 -3.202
257 1HE LYS 34 HE2 LYS 34 3.336 3.619 -5.481
258 2HE LYS 34 HE1 LYS 34 2.132 4.881 -5.154
259 1HZ LYS 34 HZ1 LYS 34 5.078 5.267 -5.069
260 2HZ LYS 34 HZ2 LYS 34 3.902 6.466 -4.809
261 3HZ LYS 34 HZ3 LYS 34 4.074 5.759 -6.344
262 H CYS 35 HN CYS 35 -1.487 4.065 0.131
263 HA CYS 35 HA CYS 35 -3.435 2.662 -1.647
264 1HB CYS 35 HB2 CYS 35 -3.732 3.337 1.288
265 2HB CYS 35 HB1 CYS 35 -4.517 2.044 0.385
266 H TYR 36 HN TYR 36 -5.804 3.493 -1.213
267 HA TYR 36 HA TYR 36 -5.881 6.463 -0.898
268 1HB TYR 36 HB2 TYR 36 -6.638 4.774 -3.277
269 2HB TYR 36 HB1 TYR 36 -7.433 6.324 -3.001
270 HD1 TYR 36 HD1 TYR 36 -4.907 4.899 -4.818
271 HD2 TYR 36 HD2 TYR 36 -5.540 8.179 -2.119
272 HE1 TYR 36 HE1 TYR 36 -2.953 6.075 -5.790
273 HE2 TYR 36 HE2 TYR 36 -3.585 9.356 -3.091
274 HH TYR 36 HH TYR 36 -2.097 8.351 -5.999
275 HA PRO 37 HA PRO 37 -9.629 5.764 1.292
276 1HB PRO 37 HB2 PRO 37 -11.135 7.791 -0.086
277 2HB PRO 37 HB1 PRO 37 -10.346 7.905 1.490
278 1HG PRO 37 HG2 PRO 37 -9.555 9.159 -0.965
279 2HG PRO 37 HG1 PRO 37 -8.759 9.259 0.609
280 1HD PRO 37 HD2 PRO 37 -7.860 7.852 -1.748
281 2HD PRO 37 HD1 PRO 37 -7.054 7.959 -0.164
Start of MODEL 4
1 1H VAL 1 HT1 VAL 1 -2.277 9.041 2.968
2 2H VAL 1 HT2 VAL 1 -2.772 9.152 4.589
3 3H VAL 1 HT3 VAL 1 -3.928 9.139 3.345
4 HA VAL 1 HA VAL 1 -3.173 6.959 4.762
5 HB VAL 1 HB VAL 1 -4.398 5.808 2.896
6 1HG1 VAL 1 HG11 VAL 1 -5.297 7.794 4.630
7 2HG1 VAL 1 HG12 VAL 1 -6.315 6.675 3.723
8 3HG1 VAL 1 HG13 VAL 1 -5.959 8.273 3.066
9 1HG2 VAL 1 HG21 VAL 1 -3.589 6.833 0.929
10 2HG2 VAL 1 HG22 VAL 1 -3.825 8.458 1.573
11 3HG2 VAL 1 HG23 VAL 1 -5.218 7.490 1.088
12 H PHE 2 HN PHE 2 -0.625 7.914 4.058
13 HA PHE 2 HA PHE 2 0.356 5.795 2.169
14 1HB PHE 2 HB2 PHE 2 0.819 8.697 2.448
15 2HB PHE 2 HB1 PHE 2 2.289 7.747 2.231
16 HD1 PHE 2 HD1 PHE 2 -1.164 7.161 0.913
17 HD2 PHE 2 HD2 PHE 2 2.934 8.064 -0.010
18 HE1 PHE 2 HE1 PHE 2 -1.660 6.942 -1.508
19 HE2 PHE 2 HE2 PHE 2 2.437 7.846 -2.428
20 HZ PHE 2 HZ PHE 2 0.141 7.285 -3.179
21 H ILE 3 HN ILE 3 2.167 4.602 2.860
22 HA ILE 3 HA ILE 3 3.429 5.324 5.462
23 HB ILE 3 HB ILE 3 2.980 3.040 6.291
24 1HG1 ILE 3 HG12 ILE 3 1.377 2.741 3.730
25 2HG1 ILE 3 HG11 ILE 3 2.919 1.949 4.056
26 1HG2 ILE 3 HG21 ILE 3 1.307 5.020 6.487
27 2HG2 ILE 3 HG22 ILE 3 0.721 3.399 6.857
28 3HG2 ILE 3 HG23 ILE 3 0.353 4.136 5.297
29 1HD1 ILE 3 HD11 ILE 3 1.457 0.278 4.722
30 2HD1 ILE 3 HD12 ILE 3 0.230 1.425 5.261
31 3HD1 ILE 3 HD13 ILE 3 1.664 1.140 6.247
32 H ASN 4 HN ASN 4 5.411 3.954 5.838
33 HA ASN 4 HA ASN 4 6.608 3.069 3.231
34 1HB ASN 4 HB2 ASN 4 8.737 3.871 4.223
35 2HB ASN 4 HB1 ASN 4 7.531 5.158 4.168
36 1HD2 ASN 4 HD21 ASN 4 9.176 5.900 6.008
37 2HD2 ASN 4 HD22 ASN 4 8.754 5.436 7.585
38 H ALA 5 HN ALA 5 5.479 0.950 4.100
39 HA ALA 5 HA ALA 5 6.811 -0.402 6.329
40 1HB ALA 5 HB1 ALA 5 5.221 -2.110 5.866
41 2HB ALA 5 HB2 ALA 5 5.078 -1.626 4.176
42 3HB ALA 5 HB3 ALA 5 4.389 -0.613 5.445
43 H LYS 6 HN LYS 6 7.961 0.376 3.375
44 HA LYS 6 HA LYS 6 9.784 -0.461 2.120
45 1HB LYS 6 HB2 LYS 6 9.930 -1.532 4.778
46 2HB LYS 6 HB1 LYS 6 10.421 -2.791 3.644
47 1HG LYS 6 HG2 LYS 6 11.620 -0.425 2.701
48 2HG LYS 6 HG1 LYS 6 11.857 -0.411 4.450
49 1HD LYS 6 HD2 LYS 6 13.016 -2.460 4.433
50 2HD LYS 6 HD1 LYS 6 12.393 -2.902 2.842
51 1HE LYS 6 HE2 LYS 6 14.542 -2.210 2.260
52 2HE LYS 6 HE1 LYS 6 13.682 -0.663 2.129
53 1HZ LYS 6 HZ1 LYS 6 15.398 -0.150 3.571
54 2HZ LYS 6 HZ2 LYS 6 15.359 -1.665 4.338
55 3HZ LYS 6 HZ3 LYS 6 14.140 -0.523 4.647
56 H CYS 7 HN CYS 7 7.295 -1.175 1.178
57 HA CYS 7 HA CYS 7 6.900 -4.033 0.926
58 1HB CYS 7 HB2 CYS 7 5.265 -3.283 -0.797
59 2HB CYS 7 HB1 CYS 7 5.124 -2.347 0.692
60 H ARG 8 HN ARG 8 7.004 -5.130 -1.273
61 HA ARG 8 HA ARG 8 9.335 -4.131 -2.879
62 1HB ARG 8 HB2 ARG 8 8.617 -6.920 -1.925
63 2HB ARG 8 HB1 ARG 8 9.898 -6.587 -3.091
64 1HG ARG 8 HG2 ARG 8 11.269 -6.315 -1.319
65 2HG ARG 8 HG1 ARG 8 10.414 -4.802 -1.018
66 1HD ARG 8 HD2 ARG 8 8.734 -6.110 0.349
67 2HD ARG 8 HD1 ARG 8 9.801 -7.519 0.189
68 HE ARG 8 HE ARG 8 11.196 -5.110 1.082
69 1HH1 ARG 8 HH21 ARG 8 8.790 -6.014 2.896
70 2HH1 ARG 8 HH22 ARG 8 9.662 -6.904 4.099
71 1HH2 ARG 8 HH11 ARG 8 12.585 -7.068 2.244
72 2HH2 ARG 8 HH12 ARG 8 11.809 -7.501 3.731
73 H GLY 9 HN GLY 9 6.068 -5.093 -2.892
74 1HA GLY 9 HA2 GLY 9 6.059 -5.057 -5.840
75 2HA GLY 9 HA1 GLY 9 5.487 -6.549 -5.094
76 H SER 10 HN SER 10 3.719 -5.206 -6.634
77 HA SER 10 HA SER 10 2.122 -3.218 -5.328
78 1HB SER 10 HB2 SER 10 0.544 -4.775 -7.096
79 2HB SER 10 HB1 SER 10 1.355 -3.252 -7.444
80 HG SER 10 HG SER 10 2.187 -4.717 -8.856
81 HA PRO 11 HA PRO 11 -0.751 -6.980 -4.185
82 1HB PRO 11 HB2 PRO 11 0.978 -9.258 -3.869
83 2HB PRO 11 HB1 PRO 11 -0.365 -9.055 -4.997
84 1HG PRO 11 HG2 PRO 11 2.431 -9.091 -5.601
85 2HG PRO 11 HG1 PRO 11 1.086 -8.845 -6.719
86 1HD PRO 11 HD2 PRO 11 3.004 -6.904 -5.780
87 2HD PRO 11 HD1 PRO 11 1.677 -6.654 -6.940
88 H GLU 12 HN GLU 12 2.362 -6.140 -3.023
89 HA GLU 12 HA GLU 12 2.015 -7.304 -0.340
90 1HB GLU 12 HB2 GLU 12 4.077 -6.129 -1.979
91 2HB GLU 12 HB1 GLU 12 4.036 -5.307 -0.418
92 1HG GLU 12 HG2 GLU 12 4.803 -7.130 0.691
93 2HG GLU 12 HG1 GLU 12 3.765 -8.228 -0.218
94 H CYS 13 HN CYS 13 2.021 -4.035 -1.791
95 HA CYS 13 HA CYS 13 1.318 -2.649 0.637
96 1HB CYS 13 HB2 CYS 13 2.382 -1.638 -1.359
97 2HB CYS 13 HB1 CYS 13 0.919 -1.951 -2.293
98 H LEU 14 HN LEU 14 -0.529 -4.421 -1.757
99 HA LEU 14 HA LEU 14 -3.095 -3.268 -1.444
100 1HB LEU 14 HB2 LEU 14 -1.871 -5.679 -2.472
101 2HB LEU 14 HB1 LEU 14 -3.386 -6.075 -1.661
102 HG LEU 14 HG LEU 14 -3.998 -3.769 -3.087
103 1HD1 LEU 14 HD11 LEU 14 -2.850 -5.467 -5.206
104 2HD1 LEU 14 HD12 LEU 14 -1.648 -4.645 -4.211
105 3HD1 LEU 14 HD13 LEU 14 -2.875 -3.709 -5.063
106 1HD2 LEU 14 HD21 LEU 14 -4.705 -6.559 -3.007
107 2HD2 LEU 14 HD22 LEU 14 -4.680 -6.016 -4.684
108 3HD2 LEU 14 HD23 LEU 14 -5.697 -5.189 -3.505
109 HA PRO 15 HA PRO 15 -3.868 -6.369 2.221
110 1HB PRO 15 HB2 PRO 15 -1.278 -7.147 3.202
111 2HB PRO 15 HB1 PRO 15 -2.536 -8.186 2.528
112 1HG PRO 15 HG2 PRO 15 -0.037 -7.399 1.319
113 2HG PRO 15 HG1 PRO 15 -1.259 -8.505 0.686
114 1HD PRO 15 HD2 PRO 15 -0.649 -5.880 -0.269
115 2HD PRO 15 HD1 PRO 15 -1.973 -6.942 -0.802
116 H LYS 16 HN LYS 16 -0.739 -4.634 2.265
117 HA LYS 16 HA LYS 16 -0.811 -3.659 4.928
118 1HB LYS 16 HB2 LYS 16 0.339 -2.737 2.300
119 2HB LYS 16 HB1 LYS 16 0.541 -1.746 3.745
120 1HG LYS 16 HG2 LYS 16 1.161 -4.668 3.933
121 2HG LYS 16 HG1 LYS 16 2.322 -3.616 3.123
122 1HD LYS 16 HD2 LYS 16 2.539 -2.222 5.078
123 2HD LYS 16 HD1 LYS 16 1.202 -3.049 5.880
124 1HE LYS 16 HE2 LYS 16 3.528 -3.788 6.630
125 2HE LYS 16 HE1 LYS 16 2.489 -5.103 6.044
126 1HZ LYS 16 HZ1 LYS 16 3.624 -5.274 4.101
127 2HZ LYS 16 HZ2 LYS 16 4.902 -4.708 5.067
128 3HZ LYS 16 HZ3 LYS 16 4.051 -3.634 4.061
129 H CYS 17 HN CYS 17 -2.248 -2.344 1.946
130 HA CYS 17 HA CYS 17 -3.245 0.093 3.131
131 1HB CYS 17 HB2 CYS 17 -3.840 -1.553 0.665
132 2HB CYS 17 HB1 CYS 17 -4.721 -0.064 1.008
133 H LYS 18 HN LYS 18 -4.710 -3.104 2.498
134 HA LYS 18 HA LYS 18 -7.366 -2.605 3.268
135 1HB LYS 18 HB2 LYS 18 -6.632 -4.709 2.327
136 2HB LYS 18 HB1 LYS 18 -5.534 -4.987 3.679
137 1HG LYS 18 HG2 LYS 18 -7.196 -6.085 4.725
138 2HG LYS 18 HG1 LYS 18 -8.071 -4.557 4.832
139 1HD LYS 18 HD2 LYS 18 -9.638 -5.505 3.513
140 2HD LYS 18 HD1 LYS 18 -8.471 -5.367 2.197
141 1HE LYS 18 HE2 LYS 18 -7.559 -7.613 2.802
142 2HE LYS 18 HE1 LYS 18 -8.822 -7.758 4.042
143 1HZ LYS 18 HZ1 LYS 18 -9.591 -6.967 1.321
144 2HZ LYS 18 HZ2 LYS 18 -10.484 -7.819 2.490
145 3HZ LYS 18 HZ3 LYS 18 -9.255 -8.604 1.617
146 H GLU 19 HN GLU 19 -4.503 -3.163 5.290
147 HA GLU 19 HA GLU 19 -6.121 -3.008 7.770
148 1HB GLU 19 HB2 GLU 19 -3.683 -4.192 6.888
149 2HB GLU 19 HB1 GLU 19 -3.274 -3.051 8.169
150 1HG GLU 19 HG2 GLU 19 -4.136 -4.413 9.741
151 2HG GLU 19 HG1 GLU 19 -5.664 -4.527 8.866
152 H ALA 20 HN ALA 20 -4.420 -0.903 5.676
153 HA ALA 20 HA ALA 20 -3.566 1.028 7.708
154 1HB ALA 20 HB1 ALA 20 -3.076 0.430 4.995
155 2HB ALA 20 HB2 ALA 20 -2.344 1.728 5.939
156 3HB ALA 20 HB3 ALA 20 -3.805 2.036 5.000
157 H ILE 21 HN ILE 21 -5.854 1.345 4.961
158 HA ILE 21 HA ILE 21 -7.434 3.271 6.627
159 HB ILE 21 HB ILE 21 -8.076 4.240 4.503
160 1HG1 ILE 21 HG12 ILE 21 -6.707 1.817 3.289
161 2HG1 ILE 21 HG11 ILE 21 -8.434 2.175 3.245
162 1HG2 ILE 21 HG21 ILE 21 -5.154 3.487 4.691
163 2HG2 ILE 21 HG22 ILE 21 -5.917 5.004 5.165
164 3HG2 ILE 21 HG23 ILE 21 -5.760 4.591 3.457
165 1HD1 ILE 21 HD11 ILE 21 -7.992 4.221 1.952
166 2HD1 ILE 21 HD12 ILE 21 -7.331 2.812 1.123
167 3HD1 ILE 21 HD13 ILE 21 -6.260 3.895 2.012
168 H GLY 22 HN GLY 22 -7.635 0.383 4.589
169 1HA GLY 22 HA2 GLY 22 -9.357 -1.296 5.305
170 2HA GLY 22 HA1 GLY 22 -10.473 0.059 5.484
171 H LYS 23 HN LYS 23 -8.195 -0.158 2.821
172 HA LYS 23 HA LYS 23 -10.389 -0.987 0.973
173 1HB LYS 23 HB2 LYS 23 -8.830 1.590 1.060
174 2HB LYS 23 HB1 LYS 23 -9.476 0.999 -0.472
175 1HG LYS 23 HG2 LYS 23 -11.238 1.179 1.966
176 2HG LYS 23 HG1 LYS 23 -10.959 2.595 0.951
177 1HD LYS 23 HD2 LYS 23 -11.598 1.059 -1.031
178 2HD LYS 23 HD1 LYS 23 -12.260 -0.020 0.199
179 1HE LYS 23 HE2 LYS 23 -13.007 2.914 0.064
180 2HE LYS 23 HE1 LYS 23 -13.926 1.652 -0.779
181 1HZ LYS 23 HZ1 LYS 23 -13.964 0.436 1.394
182 2HZ LYS 23 HZ2 LYS 23 -14.883 1.865 1.364
183 3HZ LYS 23 HZ3 LYS 23 -13.365 1.843 2.129
184 H ALA 24 HN ALA 24 -9.496 -2.737 -0.056
185 HA ALA 24 HA ALA 24 -6.655 -3.199 -0.288
186 1HB ALA 24 HB1 ALA 24 -7.758 -5.190 -0.412
187 2HB ALA 24 HB2 ALA 24 -7.890 -4.827 -2.133
188 3HB ALA 24 HB3 ALA 24 -9.223 -4.439 -1.044
189 H ALA 25 HN ALA 25 -6.590 -0.778 -1.300
190 HA ALA 25 HA ALA 25 -6.265 -1.183 -4.238
191 1HB ALA 25 HB1 ALA 25 -8.323 -0.121 -4.301
192 2HB ALA 25 HB2 ALA 25 -7.277 1.296 -4.236
193 3HB ALA 25 HB3 ALA 25 -8.056 0.707 -2.767
194 H GLY 26 HN GLY 26 -4.009 -0.965 -4.197
195 1HA GLY 26 HA2 GLY 26 -2.892 1.665 -3.935
196 2HA GLY 26 HA1 GLY 26 -2.494 0.708 -2.508
197 H LYS 27 HN LYS 27 -0.277 1.287 -3.686
198 HA LYS 27 HA LYS 27 0.495 -1.186 -5.159
199 1HB LYS 27 HB2 LYS 27 0.792 1.684 -6.075
200 2HB LYS 27 HB1 LYS 27 1.751 0.373 -6.762
201 1HG LYS 27 HG2 LYS 27 0.029 0.027 -8.182
202 2HG LYS 27 HG1 LYS 27 -0.848 -0.625 -6.798
203 1HD LYS 27 HD2 LYS 27 -2.333 1.049 -7.052
204 2HD LYS 27 HD1 LYS 27 -1.063 2.164 -6.546
205 1HE LYS 27 HE2 LYS 27 -0.617 1.472 -9.301
206 2HE LYS 27 HE1 LYS 27 -2.295 2.016 -9.104
207 1HZ LYS 27 HZ1 LYS 27 -1.603 3.982 -8.052
208 2HZ LYS 27 HZ2 LYS 27 -0.568 3.825 -9.392
209 3HZ LYS 27 HZ3 LYS 27 -0.017 3.422 -7.837
210 H CYS 28 HN CYS 28 3.107 -0.668 -5.653
211 HA CYS 28 HA CYS 28 4.236 0.245 -3.027
212 1HB CYS 28 HB2 CYS 28 4.144 -2.199 -3.170
213 2HB CYS 28 HB1 CYS 28 4.947 -2.160 -4.740
214 H MET 29 HN MET 29 5.383 2.082 -3.538
215 HA MET 29 HA MET 29 7.228 1.951 -5.899
216 1HB MET 29 HB2 MET 29 5.001 3.292 -6.091
217 2HB MET 29 HB1 MET 29 5.791 4.452 -5.023
218 1HG MET 29 HG2 MET 29 6.803 5.328 -6.833
219 2HG MET 29 HG1 MET 29 7.706 3.820 -6.988
220 1HE MET 29 HE1 MET 29 7.943 2.770 -8.684
221 2HE MET 29 HE2 MET 29 6.990 2.629 -10.159
222 3HE MET 29 HE3 MET 29 6.595 1.627 -8.766
223 H ASN 30 HN ASN 30 9.210 3.110 -5.601
224 HA ASN 30 HA ASN 30 11.043 3.858 -4.303
225 1HB ASN 30 HB2 ASN 30 8.665 5.314 -3.104
226 2HB ASN 30 HB1 ASN 30 10.343 5.738 -2.766
227 1HD2 ASN 30 HD21 ASN 30 11.276 7.222 -4.187
228 2HD2 ASN 30 HD22 ASN 30 10.678 7.592 -5.731
229 H GLY 31 HN GLY 31 9.431 1.442 -3.354
230 1HA GLY 31 HA2 GLY 31 9.620 -0.041 -1.538
231 2HA GLY 31 HA1 GLY 31 10.823 1.054 -0.854
232 H LYS 32 HN LYS 32 7.448 1.790 -1.692
233 HA LYS 32 HA LYS 32 6.817 2.059 1.214
234 1HB LYS 32 HB2 LYS 32 6.975 4.150 -0.914
235 2HB LYS 32 HB1 LYS 32 5.678 4.297 0.274
236 1HG LYS 32 HG2 LYS 32 7.195 4.432 2.086
237 2HG LYS 32 HG1 LYS 32 8.534 3.810 1.121
238 1HD LYS 32 HD2 LYS 32 8.849 6.194 1.361
239 2HD LYS 32 HD1 LYS 32 8.366 5.881 -0.306
240 1HE LYS 32 HE2 LYS 32 6.947 7.664 0.277
241 2HE LYS 32 HE1 LYS 32 5.924 6.262 0.654
242 1HZ LYS 32 HZ1 LYS 32 7.768 7.561 2.588
243 2HZ LYS 32 HZ2 LYS 32 6.669 6.307 2.916
244 3HZ LYS 32 HZ3 LYS 32 6.100 7.859 2.520
245 H CYS 33 HN CYS 33 4.468 2.153 1.597
246 HA CYS 33 HA CYS 33 2.946 0.706 -0.522
247 1HB CYS 33 HB2 CYS 33 3.205 -0.261 1.749
248 2HB CYS 33 HB1 CYS 33 2.432 1.165 2.434
249 H LYS 34 HN LYS 34 1.701 2.033 -1.791
250 HA LYS 34 HA LYS 34 0.605 4.552 -0.614
251 1HB LYS 34 HB2 LYS 34 0.836 3.530 -3.467
252 2HB LYS 34 HB1 LYS 34 0.294 5.144 -3.002
253 1HG LYS 34 HG2 LYS 34 2.451 5.795 -3.053
254 2HG LYS 34 HG1 LYS 34 2.725 4.770 -1.643
255 1HD LYS 34 HD2 LYS 34 4.298 4.130 -3.381
256 2HD LYS 34 HD1 LYS 34 3.112 2.838 -3.193
257 1HE LYS 34 HE2 LYS 34 3.209 3.124 -5.539
258 2HE LYS 34 HE1 LYS 34 1.809 4.117 -5.087
259 1HZ LYS 34 HZ1 LYS 34 4.063 5.011 -6.362
260 2HZ LYS 34 HZ2 LYS 34 4.280 5.518 -4.755
261 3HZ LYS 34 HZ3 LYS 34 2.889 5.979 -5.614
262 H CYS 35 HN CYS 35 -1.526 4.514 0.003
263 HA CYS 35 HA CYS 35 -3.269 2.337 -1.077
264 1HB CYS 35 HB2 CYS 35 -3.501 4.109 1.375
265 2HB CYS 35 HB1 CYS 35 -4.550 2.744 0.991
266 H TYR 36 HN TYR 36 -5.333 2.848 -1.899
267 HA TYR 36 HA TYR 36 -5.962 5.756 -2.271
268 1HB TYR 36 HB2 TYR 36 -5.885 3.480 -4.271
269 2HB TYR 36 HB1 TYR 36 -6.717 4.999 -4.601
270 HD1 TYR 36 HD1 TYR 36 -5.524 6.876 -5.377
271 HD2 TYR 36 HD2 TYR 36 -3.400 3.601 -3.583
272 HE1 TYR 36 HE1 TYR 36 -3.369 7.918 -6.026
273 HE2 TYR 36 HE2 TYR 36 -1.245 4.643 -4.231
274 HH TYR 36 HH TYR 36 -0.867 7.737 -5.023
275 HA PRO 37 HA PRO 37 -9.962 4.638 -0.784
276 1HB PRO 37 HB2 PRO 37 -11.301 6.430 -2.593
277 2HB PRO 37 HB1 PRO 37 -10.920 6.689 -0.889
278 1HG PRO 37 HG2 PRO 37 -9.703 7.932 -3.171
279 2HG PRO 37 HG1 PRO 37 -9.322 8.185 -1.466
280 1HD PRO 37 HD2 PRO 37 -7.741 6.806 -3.446
281 2HD PRO 37 HD1 PRO 37 -7.360 7.056 -1.725
Start of MODEL 5
1 1H VAL 1 HT1 VAL 1 -2.820 8.965 0.578
2 2H VAL 1 HT2 VAL 1 -4.245 9.479 1.348
3 3H VAL 1 HT3 VAL 1 -4.177 7.948 0.615
4 HA VAL 1 HA VAL 1 -2.844 8.841 3.108
5 HB VAL 1 HB VAL 1 -4.829 6.736 2.219
6 1HG1 VAL 1 HG11 VAL 1 -4.045 5.385 3.844
7 2HG1 VAL 1 HG12 VAL 1 -4.530 6.613 5.013
8 3HG1 VAL 1 HG13 VAL 1 -2.888 6.608 4.370
9 1HG2 VAL 1 HG21 VAL 1 -6.110 7.849 4.147
10 2HG2 VAL 1 HG22 VAL 1 -5.885 8.822 2.694
11 3HG2 VAL 1 HG23 VAL 1 -4.868 9.101 4.107
12 H PHE 2 HN PHE 2 -0.641 8.512 2.383
13 HA PHE 2 HA PHE 2 0.043 5.737 1.492
14 1HB PHE 2 HB2 PHE 2 1.366 8.451 1.297
15 2HB PHE 2 HB1 PHE 2 2.232 6.966 0.913
16 HD1 PHE 2 HD1 PHE 2 2.232 8.595 -1.296
17 HD2 PHE 2 HD2 PHE 2 -1.082 6.265 0.136
18 HE1 PHE 2 HE1 PHE 2 1.242 8.600 -3.570
19 HE2 PHE 2 HE2 PHE 2 -2.067 6.269 -2.136
20 HZ PHE 2 HZ PHE 2 -0.907 7.439 -3.991
21 H ILE 3 HN ILE 3 1.934 4.723 2.504
22 HA ILE 3 HA ILE 3 2.724 5.856 5.154
23 HB ILE 3 HB ILE 3 2.467 3.392 5.948
24 1HG1 ILE 3 HG12 ILE 3 0.677 3.391 3.495
25 2HG1 ILE 3 HG11 ILE 3 2.148 2.438 3.687
26 1HG2 ILE 3 HG21 ILE 3 0.892 5.565 6.200
27 2HG2 ILE 3 HG22 ILE 3 0.456 3.994 6.874
28 3HG2 ILE 3 HG23 ILE 3 -0.220 4.509 5.329
29 1HD1 ILE 3 HD11 ILE 3 1.163 0.951 5.121
30 2HD1 ILE 3 HD12 ILE 3 -0.306 1.484 4.302
31 3HD1 ILE 3 HD13 ILE 3 0.140 2.184 5.858
32 H ASN 4 HN ASN 4 4.791 5.046 5.898
33 HA ASN 4 HA ASN 4 6.697 4.508 3.783
34 1HB ASN 4 HB2 ASN 4 8.282 4.557 5.631
35 2HB ASN 4 HB1 ASN 4 7.073 5.815 5.895
36 1HD2 ASN 4 HD21 ASN 4 5.490 5.478 7.610
37 2HD2 ASN 4 HD22 ASN 4 5.701 4.272 8.785
38 H ALA 5 HN ALA 5 4.511 2.440 5.201
39 HA ALA 5 HA ALA 5 5.743 0.126 6.045
40 1HB ALA 5 HB1 ALA 5 3.565 -0.431 5.830
41 2HB ALA 5 HB2 ALA 5 3.829 -0.648 4.099
42 3HB ALA 5 HB3 ALA 5 3.305 0.917 4.722
43 H LYS 6 HN LYS 6 7.722 -0.516 5.180
44 HA LYS 6 HA LYS 6 8.572 -0.303 2.488
45 1HB LYS 6 HB2 LYS 6 9.435 -1.392 4.973
46 2HB LYS 6 HB1 LYS 6 9.645 -2.649 3.753
47 1HG LYS 6 HG2 LYS 6 10.518 -0.308 2.493
48 2HG LYS 6 HG1 LYS 6 11.155 -0.190 4.133
49 1HD LYS 6 HD2 LYS 6 12.151 -2.423 3.934
50 2HD LYS 6 HD1 LYS 6 11.474 -2.596 2.314
51 1HE LYS 6 HE2 LYS 6 12.826 -0.163 2.182
52 2HE LYS 6 HE1 LYS 6 13.899 -1.191 3.151
53 1HZ LYS 6 HZ1 LYS 6 14.469 -1.958 1.109
54 2HZ LYS 6 HZ2 LYS 6 12.982 -1.540 0.402
55 3HZ LYS 6 HZ3 LYS 6 13.111 -2.946 1.348
56 H CYS 7 HN CYS 7 7.088 -1.049 0.941
57 HA CYS 7 HA CYS 7 5.645 -3.548 1.151
58 1HB CYS 7 HB2 CYS 7 5.216 -3.051 -1.291
59 2HB CYS 7 HB1 CYS 7 4.846 -1.706 -0.212
60 H ARG 8 HN ARG 8 6.065 -4.807 -1.293
61 HA ARG 8 HA ARG 8 8.937 -5.666 -1.169
62 1HB ARG 8 HB2 ARG 8 6.366 -7.145 -0.905
63 2HB ARG 8 HB1 ARG 8 7.645 -7.944 -1.820
64 1HG ARG 8 HG2 ARG 8 8.980 -6.928 0.393
65 2HG ARG 8 HG1 ARG 8 7.441 -7.476 1.059
66 1HD ARG 8 HD2 ARG 8 7.902 -9.687 0.641
67 2HD ARG 8 HD1 ARG 8 8.752 -9.325 -0.874
68 HE ARG 8 HE ARG 8 10.744 -8.861 0.387
69 1HH1 ARG 8 HH21 ARG 8 9.496 -7.440 2.707
70 2HH1 ARG 8 HH22 ARG 8 9.741 -8.567 4.000
71 1HH2 ARG 8 HH11 ARG 8 10.417 -11.240 1.898
72 2HH2 ARG 8 HH12 ARG 8 10.264 -10.717 3.542
73 H GLY 9 HN GLY 9 5.954 -5.533 -3.120
74 1HA GLY 9 HA2 GLY 9 7.550 -4.996 -5.525
75 2HA GLY 9 HA1 GLY 9 6.671 -6.525 -5.556
76 H SER 10 HN SER 10 4.272 -5.993 -4.461
77 HA SER 10 HA SER 10 2.979 -3.551 -4.999
78 1HB SER 10 HB2 SER 10 3.264 -3.438 -7.249
79 2HB SER 10 HB1 SER 10 3.746 -5.129 -7.352
80 HG SER 10 HG SER 10 1.788 -4.870 -8.402
81 HA PRO 11 HA PRO 11 -0.334 -7.098 -5.314
82 1HB PRO 11 HB2 PRO 11 1.055 -9.571 -4.830
83 2HB PRO 11 HB1 PRO 11 0.151 -9.092 -6.269
84 1HG PRO 11 HG2 PRO 11 2.998 -9.338 -5.975
85 2HG PRO 11 HG1 PRO 11 2.088 -8.875 -7.415
86 1HD PRO 11 HD2 PRO 11 3.731 -7.195 -5.764
87 2HD PRO 11 HD1 PRO 11 2.770 -6.719 -7.185
88 H GLU 12 HN GLU 12 2.364 -6.822 -3.192
89 HA GLU 12 HA GLU 12 0.987 -8.135 -0.916
90 1HB GLU 12 HB2 GLU 12 3.630 -6.651 -1.093
91 2HB GLU 12 HB1 GLU 12 3.120 -7.733 0.204
92 1HG GLU 12 HG2 GLU 12 2.813 -9.457 -1.774
93 2HG GLU 12 HG1 GLU 12 3.958 -8.397 -2.597
94 H CYS 13 HN CYS 13 1.448 -4.975 -2.279
95 HA CYS 13 HA CYS 13 1.071 -3.424 0.135
96 1HB CYS 13 HB2 CYS 13 1.511 -3.066 -2.686
97 2HB CYS 13 HB1 CYS 13 0.188 -2.018 -2.174
98 H LEU 14 HN LEU 14 -1.137 -4.666 -2.378
99 HA LEU 14 HA LEU 14 -3.498 -3.320 -1.721
100 1HB LEU 14 HB2 LEU 14 -2.650 -5.790 -3.009
101 2HB LEU 14 HB1 LEU 14 -4.213 -5.982 -2.217
102 HG LEU 14 HG LEU 14 -4.842 -3.741 -3.341
103 1HD1 LEU 14 HD11 LEU 14 -2.784 -2.912 -4.128
104 2HD1 LEU 14 HD12 LEU 14 -3.534 -3.570 -5.583
105 3HD1 LEU 14 HD13 LEU 14 -2.281 -4.485 -4.744
106 1HD2 LEU 14 HD21 LEU 14 -4.773 -6.473 -4.347
107 2HD2 LEU 14 HD22 LEU 14 -4.750 -5.304 -5.666
108 3HD2 LEU 14 HD23 LEU 14 -6.055 -5.270 -4.480
109 HA PRO 15 HA PRO 15 -4.420 -6.692 1.659
110 1HB PRO 15 HB2 PRO 15 -1.884 -7.820 2.422
111 2HB PRO 15 HB1 PRO 15 -3.273 -8.652 1.715
112 1HG PRO 15 HG2 PRO 15 -0.761 -8.027 0.463
113 2HG PRO 15 HG1 PRO 15 -2.140 -8.885 -0.230
114 1HD PRO 15 HD2 PRO 15 -1.228 -6.236 -0.865
115 2HD PRO 15 HD1 PRO 15 -2.653 -7.080 -1.514
116 H LYS 16 HN LYS 16 -1.215 -5.134 1.653
117 HA LYS 16 HA LYS 16 -1.088 -4.517 4.451
118 1HB LYS 16 HB2 LYS 16 0.100 -3.319 1.936
119 2HB LYS 16 HB1 LYS 16 0.543 -2.761 3.551
120 1HG LYS 16 HG2 LYS 16 0.657 -5.688 2.845
121 2HG LYS 16 HG1 LYS 16 2.004 -4.612 2.466
122 1HD LYS 16 HD2 LYS 16 1.719 -3.864 4.980
123 2HD LYS 16 HD1 LYS 16 0.934 -5.436 5.145
124 1HE LYS 16 HE2 LYS 16 2.932 -6.552 4.230
125 2HE LYS 16 HE1 LYS 16 3.726 -4.977 4.028
126 1HZ LYS 16 HZ1 LYS 16 4.154 -6.237 6.195
127 2HZ LYS 16 HZ2 LYS 16 2.570 -5.796 6.622
128 3HZ LYS 16 HZ3 LYS 16 3.734 -4.598 6.311
129 H CYS 17 HN CYS 17 -2.030 -2.439 1.671
130 HA CYS 17 HA CYS 17 -2.834 -0.162 3.135
131 1HB CYS 17 HB2 CYS 17 -3.851 -1.438 0.578
132 2HB CYS 17 HB1 CYS 17 -4.357 0.165 1.111
133 H LYS 18 HN LYS 18 -4.636 -3.141 2.380
134 HA LYS 18 HA LYS 18 -7.204 -2.401 3.318
135 1HB LYS 18 HB2 LYS 18 -6.621 -4.473 2.093
136 2HB LYS 18 HB1 LYS 18 -5.726 -5.050 3.499
137 1HG LYS 18 HG2 LYS 18 -7.716 -6.067 3.994
138 2HG LYS 18 HG1 LYS 18 -8.107 -4.483 4.665
139 1HD LYS 18 HD2 LYS 18 -9.711 -4.156 3.123
140 2HD LYS 18 HD1 LYS 18 -8.590 -4.519 1.811
141 1HE LYS 18 HE2 LYS 18 -9.221 -6.745 1.708
142 2HE LYS 18 HE1 LYS 18 -9.623 -6.815 3.436
143 1HZ LYS 18 HZ1 LYS 18 -11.137 -5.338 1.348
144 2HZ LYS 18 HZ2 LYS 18 -11.492 -5.321 3.009
145 3HZ LYS 18 HZ3 LYS 18 -11.642 -6.760 2.119
146 H GLU 19 HN GLU 19 -4.440 -3.799 5.108
147 HA GLU 19 HA GLU 19 -5.841 -3.709 7.673
148 1HB GLU 19 HB2 GLU 19 -2.891 -4.014 7.024
149 2HB GLU 19 HB1 GLU 19 -3.699 -4.520 8.507
150 1HG GLU 19 HG2 GLU 19 -4.542 -5.579 5.807
151 2HG GLU 19 HG1 GLU 19 -3.256 -6.344 6.741
152 H ALA 20 HN ALA 20 -4.312 -1.384 5.731
153 HA ALA 20 HA ALA 20 -3.531 0.307 8.067
154 1HB ALA 20 HB1 ALA 20 -1.770 0.204 6.533
155 2HB ALA 20 HB2 ALA 20 -2.601 1.666 6.001
156 3HB ALA 20 HB3 ALA 20 -2.856 0.145 5.144
157 H ILE 21 HN ILE 21 -5.291 0.586 4.946
158 HA ILE 21 HA ILE 21 -6.696 2.993 6.007
159 HB ILE 21 HB ILE 21 -5.503 2.884 3.756
160 1HG1 ILE 21 HG12 ILE 21 -8.483 3.453 3.658
161 2HG1 ILE 21 HG11 ILE 21 -7.281 4.556 4.327
162 1HG2 ILE 21 HG21 ILE 21 -6.844 0.506 3.488
163 2HG2 ILE 21 HG22 ILE 21 -6.154 1.414 2.145
164 3HG2 ILE 21 HG23 ILE 21 -7.862 1.591 2.544
165 1HD1 ILE 21 HD11 ILE 21 -6.915 3.485 1.546
166 2HD1 ILE 21 HD12 ILE 21 -6.322 4.992 2.243
167 3HD1 ILE 21 HD13 ILE 21 -8.027 4.826 1.821
168 H GLY 22 HN GLY 22 -7.247 -0.353 5.083
169 1HA GLY 22 HA2 GLY 22 -9.253 -1.356 6.263
170 2HA GLY 22 HA1 GLY 22 -10.154 0.038 5.669
171 H LYS 23 HN LYS 23 -8.694 -0.035 3.058
172 HA LYS 23 HA LYS 23 -9.900 -2.530 1.907
173 1HB LYS 23 HB2 LYS 23 -10.255 0.376 1.237
174 2HB LYS 23 HB1 LYS 23 -10.381 -0.818 -0.056
175 1HG LYS 23 HG2 LYS 23 -12.590 -0.702 0.694
176 2HG LYS 23 HG1 LYS 23 -11.968 -2.066 1.623
177 1HD LYS 23 HD2 LYS 23 -12.408 -0.981 3.542
178 2HD LYS 23 HD1 LYS 23 -11.362 0.348 3.042
179 1HE LYS 23 HE2 LYS 23 -13.202 1.433 1.870
180 2HE LYS 23 HE1 LYS 23 -14.265 0.048 2.190
181 1HZ LYS 23 HZ1 LYS 23 -13.788 0.389 4.594
182 2HZ LYS 23 HZ2 LYS 23 -14.661 1.662 3.883
183 3HZ LYS 23 HZ3 LYS 23 -13.000 1.838 4.195
184 H ALA 24 HN ALA 24 -8.750 -3.393 0.120
185 HA ALA 24 HA ALA 24 -5.926 -2.632 -0.063
186 1HB ALA 24 HB1 ALA 24 -7.735 -4.715 -1.298
187 2HB ALA 24 HB2 ALA 24 -6.447 -4.951 -0.119
188 3HB ALA 24 HB3 ALA 24 -6.050 -4.553 -1.791
189 H ALA 25 HN ALA 25 -5.876 -0.556 -1.069
190 HA ALA 25 HA ALA 25 -6.493 -0.590 -3.985
191 1HB ALA 25 HB1 ALA 25 -8.327 0.676 -3.597
192 2HB ALA 25 HB2 ALA 25 -7.249 1.950 -3.025
193 3HB ALA 25 HB3 ALA 25 -7.935 0.795 -1.882
194 H GLY 26 HN GLY 26 -3.927 -0.794 -2.976
195 1HA GLY 26 HA2 GLY 26 -2.800 1.852 -3.720
196 2HA GLY 26 HA1 GLY 26 -2.284 1.134 -2.195
197 H LYS 27 HN LYS 27 -0.216 1.481 -3.705
198 HA LYS 27 HA LYS 27 0.387 -1.215 -4.843
199 1HB LYS 27 HB2 LYS 27 1.122 1.447 -6.102
200 2HB LYS 27 HB1 LYS 27 1.385 -0.155 -6.792
201 1HG LYS 27 HG2 LYS 27 -0.982 -0.529 -7.027
202 2HG LYS 27 HG1 LYS 27 -1.359 0.926 -6.103
203 1HD LYS 27 HD2 LYS 27 0.112 0.897 -8.755
204 2HD LYS 27 HD1 LYS 27 -1.597 1.283 -8.555
205 1HE LYS 27 HE2 LYS 27 -0.887 3.121 -6.941
206 2HE LYS 27 HE1 LYS 27 0.780 2.830 -7.478
207 1HZ LYS 27 HZ1 LYS 27 -0.446 2.884 -9.814
208 2HZ LYS 27 HZ2 LYS 27 0.173 4.287 -9.084
209 3HZ LYS 27 HZ3 LYS 27 -1.483 3.923 -8.964
210 H CYS 28 HN CYS 28 2.938 -1.166 -5.342
211 HA CYS 28 HA CYS 28 4.237 -0.069 -2.876
212 1HB CYS 28 HB2 CYS 28 4.381 -2.440 -2.971
213 2HB CYS 28 HB1 CYS 28 4.705 -2.434 -4.703
214 H MET 29 HN MET 29 5.447 1.747 -3.274
215 HA MET 29 HA MET 29 7.128 1.837 -5.733
216 1HB MET 29 HB2 MET 29 4.750 3.464 -5.063
217 2HB MET 29 HB1 MET 29 6.147 4.391 -5.610
218 1HG MET 29 HG2 MET 29 5.772 3.761 -7.735
219 2HG MET 29 HG1 MET 29 5.866 2.063 -7.270
220 1HE MET 29 HE1 MET 29 2.821 1.434 -9.071
221 2HE MET 29 HE2 MET 29 3.562 0.496 -7.777
222 3HE MET 29 HE3 MET 29 4.582 1.372 -8.914
223 H ASN 30 HN ASN 30 8.944 3.277 -5.504
224 HA ASN 30 HA ASN 30 10.695 4.263 -4.253
225 1HB ASN 30 HB2 ASN 30 8.401 5.409 -2.647
226 2HB ASN 30 HB1 ASN 30 9.939 6.177 -3.041
227 1HD2 ASN 30 HD21 ASN 30 6.939 6.800 -3.740
228 2HD2 ASN 30 HD22 ASN 30 6.995 7.101 -5.410
229 H GLY 31 HN GLY 31 9.361 1.670 -3.243
230 1HA GLY 31 HA2 GLY 31 9.873 0.221 -1.453
231 2HA GLY 31 HA1 GLY 31 10.879 1.500 -0.768
232 H LYS 32 HN LYS 32 7.630 2.322 -1.604
233 HA LYS 32 HA LYS 32 6.791 2.068 1.265
234 1HB LYS 32 HB2 LYS 32 6.208 4.421 -0.548
235 2HB LYS 32 HB1 LYS 32 6.023 4.337 1.204
236 1HG LYS 32 HG2 LYS 32 8.426 4.206 1.509
237 2HG LYS 32 HG1 LYS 32 8.681 4.093 -0.233
238 1HD LYS 32 HD2 LYS 32 8.947 6.348 -0.125
239 2HD LYS 32 HD1 LYS 32 7.185 6.383 -0.049
240 1HE LYS 32 HE2 LYS 32 8.169 5.852 2.591
241 2HE LYS 32 HE1 LYS 32 9.024 7.268 1.947
242 1HZ LYS 32 HZ1 LYS 32 6.087 6.828 2.015
243 2HZ LYS 32 HZ2 LYS 32 6.832 8.094 1.162
244 3HZ LYS 32 HZ3 LYS 32 6.958 8.016 2.855
245 H CYS 33 HN CYS 33 4.349 2.248 1.459
246 HA CYS 33 HA CYS 33 3.071 0.893 -0.874
247 1HB CYS 33 HB2 CYS 33 3.158 0.101 1.640
248 2HB CYS 33 HB1 CYS 33 1.836 1.249 1.843
249 H LYS 34 HN LYS 34 1.837 2.161 -2.177
250 HA LYS 34 HA LYS 34 0.884 4.787 -1.157
251 1HB LYS 34 HB2 LYS 34 1.309 3.477 -3.836
252 2HB LYS 34 HB1 LYS 34 0.352 4.954 -3.707
253 1HG LYS 34 HG2 LYS 34 2.169 6.220 -2.931
254 2HG LYS 34 HG1 LYS 34 3.066 4.791 -2.416
255 1HD LYS 34 HD2 LYS 34 4.183 5.356 -4.384
256 2HD LYS 34 HD1 LYS 34 3.009 4.178 -4.971
257 1HE LYS 34 HE2 LYS 34 2.114 7.025 -4.878
258 2HE LYS 34 HE1 LYS 34 3.280 6.582 -6.141
259 1HZ LYS 34 HZ1 LYS 34 0.894 6.192 -6.740
260 2HZ LYS 34 HZ2 LYS 34 0.848 4.992 -5.538
261 3HZ LYS 34 HZ3 LYS 34 1.890 4.827 -6.871
262 H CYS 35 HN CYS 35 -0.950 4.049 0.109
263 HA CYS 35 HA CYS 35 -3.070 2.488 -1.232
264 1HB CYS 35 HB2 CYS 35 -3.111 3.863 1.467
265 2HB CYS 35 HB1 CYS 35 -4.051 2.462 0.959
266 H TYR 36 HN TYR 36 -4.983 3.397 -2.024
267 HA TYR 36 HA TYR 36 -5.045 6.334 -2.326
268 1HB TYR 36 HB2 TYR 36 -6.368 3.920 -3.488
269 2HB TYR 36 HB1 TYR 36 -7.233 5.452 -3.603
270 HD1 TYR 36 HD1 TYR 36 -3.580 5.477 -3.451
271 HD2 TYR 36 HD2 TYR 36 -6.979 5.433 -6.077
272 HE1 TYR 36 HE1 TYR 36 -2.128 6.158 -5.341
273 HE2 TYR 36 HE2 TYR 36 -5.526 6.115 -7.968
274 HH TYR 36 HH TYR 36 -3.176 6.042 -8.598
275 HA PRO 37 HA PRO 37 -7.871 7.131 0.958
276 1HB PRO 37 HB2 PRO 37 -9.353 9.058 -0.580
277 2HB PRO 37 HB1 PRO 37 -8.106 9.363 0.632
278 1HG PRO 37 HG2 PRO 37 -7.910 9.704 -2.207
279 2HG PRO 37 HG1 PRO 37 -6.660 9.985 -0.993
280 1HD PRO 37 HD2 PRO 37 -6.806 7.842 -2.926
281 2HD PRO 37 HD1 PRO 37 -5.537 8.138 -1.712
Start of MODEL 6
1 1H VAL 1 HT1 VAL 1 -4.163 8.850 -0.303
2 2H VAL 1 HT2 VAL 1 -4.158 7.674 0.924
3 3H VAL 1 HT3 VAL 1 -3.312 7.399 -0.523
4 HA VAL 1 HA VAL 1 -2.141 9.667 0.258
5 HB VAL 1 HB VAL 1 -1.958 9.603 2.686
6 1HG1 VAL 1 HG11 VAL 1 -4.546 9.764 1.309
7 2HG1 VAL 1 HG12 VAL 1 -3.834 10.859 2.495
8 3HG1 VAL 1 HG13 VAL 1 -4.696 9.417 3.031
9 1HG2 VAL 1 HG21 VAL 1 -2.966 6.893 2.259
10 2HG2 VAL 1 HG22 VAL 1 -3.853 7.735 3.530
11 3HG2 VAL 1 HG23 VAL 1 -2.102 7.558 3.646
12 H PHE 2 HN PHE 2 -0.141 8.836 1.996
13 HA PHE 2 HA PHE 2 0.871 6.320 0.703
14 1HB PHE 2 HB2 PHE 2 2.179 8.949 1.428
15 2HB PHE 2 HB1 PHE 2 3.126 7.502 1.083
16 HD1 PHE 2 HD1 PHE 2 0.304 9.514 -0.357
17 HD2 PHE 2 HD2 PHE 2 3.749 7.064 -1.120
18 HE1 PHE 2 HE1 PHE 2 0.067 9.938 -2.790
19 HE2 PHE 2 HE2 PHE 2 3.513 7.488 -3.550
20 HZ PHE 2 HZ PHE 2 1.671 8.925 -4.386
21 H ILE 3 HN ILE 3 2.051 4.893 2.067
22 HA ILE 3 HA ILE 3 2.133 5.604 4.978
23 HB ILE 3 HB ILE 3 1.438 3.165 5.324
24 1HG1 ILE 3 HG12 ILE 3 0.582 3.430 2.427
25 2HG1 ILE 3 HG11 ILE 3 2.001 2.519 2.948
26 1HG2 ILE 3 HG21 ILE 3 -0.972 3.664 4.820
27 2HG2 ILE 3 HG22 ILE 3 -0.445 5.114 3.967
28 3HG2 ILE 3 HG23 ILE 3 -0.153 4.956 5.699
29 1HD1 ILE 3 HD11 ILE 3 -0.688 1.984 4.193
30 2HD1 ILE 3 HD12 ILE 3 0.714 0.920 4.088
31 3HD1 ILE 3 HD13 ILE 3 -0.257 1.243 2.651
32 H ASN 4 HN ASN 4 4.044 4.996 5.971
33 HA ASN 4 HA ASN 4 6.191 3.899 4.276
34 1HB ASN 4 HB2 ASN 4 7.527 4.440 6.336
35 2HB ASN 4 HB1 ASN 4 6.590 5.809 5.737
36 1HD2 ASN 4 HD21 ASN 4 7.051 3.679 8.447
37 2HD2 ASN 4 HD22 ASN 4 5.804 4.303 9.414
38 H ALA 5 HN ALA 5 5.002 1.721 4.148
39 HA ALA 5 HA ALA 5 5.467 0.084 6.617
40 1HB ALA 5 HB1 ALA 5 3.850 -1.444 5.142
41 2HB ALA 5 HB2 ALA 5 3.472 0.103 4.382
42 3HB ALA 5 HB3 ALA 5 3.207 -0.119 6.112
43 H LYS 6 HN LYS 6 7.211 0.869 4.084
44 HA LYS 6 HA LYS 6 8.795 -0.230 2.706
45 1HB LYS 6 HB2 LYS 6 8.720 -1.293 5.384
46 2HB LYS 6 HB1 LYS 6 9.163 -2.577 4.259
47 1HG LYS 6 HG2 LYS 6 10.478 0.154 4.365
48 2HG LYS 6 HG1 LYS 6 11.150 -1.314 5.077
49 1HD LYS 6 HD2 LYS 6 10.344 -1.665 2.279
50 2HD LYS 6 HD1 LYS 6 11.600 -0.444 2.488
51 1HE LYS 6 HE2 LYS 6 12.316 -2.604 4.184
52 2HE LYS 6 HE1 LYS 6 11.869 -3.311 2.618
53 1HZ LYS 6 HZ1 LYS 6 13.246 -1.635 1.525
54 2HZ LYS 6 HZ2 LYS 6 14.172 -2.589 2.583
55 3HZ LYS 6 HZ3 LYS 6 13.714 -1.016 3.032
56 H CYS 7 HN CYS 7 6.457 -0.638 1.518
57 HA CYS 7 HA CYS 7 5.321 -3.227 1.395
58 1HB CYS 7 HB2 CYS 7 4.662 -2.447 -0.921
59 2HB CYS 7 HB1 CYS 7 4.321 -1.281 0.357
60 H ARG 8 HN ARG 8 5.790 -5.052 0.085
61 HA ARG 8 HA ARG 8 8.606 -5.212 -0.878
62 1HB ARG 8 HB2 ARG 8 6.552 -7.003 0.259
63 2HB ARG 8 HB1 ARG 8 7.504 -7.726 -1.038
64 1HG ARG 8 HG2 ARG 8 8.645 -6.357 1.417
65 2HG ARG 8 HG1 ARG 8 8.559 -8.101 1.170
66 1HD ARG 8 HD2 ARG 8 9.914 -7.750 -0.965
67 2HD ARG 8 HD1 ARG 8 10.199 -6.092 -0.399
68 HE ARG 8 HE ARG 8 11.457 -8.447 0.686
69 1HH1 ARG 8 HH21 ARG 8 9.649 -7.473 2.924
70 2HH1 ARG 8 HH22 ARG 8 10.706 -6.390 3.768
71 1HH2 ARG 8 HH11 ARG 8 12.991 -6.169 1.172
72 2HH2 ARG 8 HH12 ARG 8 12.595 -5.652 2.776
73 H GLY 9 HN GLY 9 5.264 -5.422 -1.988
74 1HA GLY 9 HA2 GLY 9 6.190 -5.207 -4.775
75 2HA GLY 9 HA1 GLY 9 5.288 -6.674 -4.394
76 H SER 10 HN SER 10 4.528 -4.400 -6.158
77 HA SER 10 HA SER 10 2.634 -2.640 -5.074
78 1HB SER 10 HB2 SER 10 2.848 -2.220 -7.295
79 2HB SER 10 HB1 SER 10 3.276 -3.891 -7.649
80 HG SER 10 HG SER 10 0.858 -2.611 -7.786
81 HA PRO 11 HA PRO 11 -0.783 -6.034 -5.754
82 1HB PRO 11 HB2 PRO 11 0.555 -8.581 -5.634
83 2HB PRO 11 HB1 PRO 11 -0.374 -7.899 -6.974
84 1HG PRO 11 HG2 PRO 11 2.472 -8.246 -6.796
85 2HG PRO 11 HG1 PRO 11 1.540 -7.578 -8.138
86 1HD PRO 11 HD2 PRO 11 3.265 -6.169 -6.324
87 2HD PRO 11 HD1 PRO 11 2.290 -5.485 -7.647
88 H GLU 12 HN GLU 12 2.125 -6.987 -3.910
89 HA GLU 12 HA GLU 12 0.753 -8.193 -1.695
90 1HB GLU 12 HB2 GLU 12 3.451 -7.049 -2.307
91 2HB GLU 12 HB1 GLU 12 3.060 -7.374 -0.618
92 1HG GLU 12 HG2 GLU 12 2.654 -9.433 -2.796
93 2HG GLU 12 HG1 GLU 12 4.166 -9.292 -1.899
94 H CYS 13 HN CYS 13 1.378 -4.874 -2.593
95 HA CYS 13 HA CYS 13 1.039 -3.658 -0.001
96 1HB CYS 13 HB2 CYS 13 1.506 -2.940 -2.731
97 2HB CYS 13 HB1 CYS 13 0.159 -1.969 -2.139
98 H LEU 14 HN LEU 14 -1.207 -4.710 -2.525
99 HA LEU 14 HA LEU 14 -3.546 -3.338 -1.810
100 1HB LEU 14 HB2 LEU 14 -2.739 -5.795 -3.177
101 2HB LEU 14 HB1 LEU 14 -4.331 -5.934 -2.435
102 HG LEU 14 HG LEU 14 -4.762 -3.589 -3.510
103 1HD1 LEU 14 HD11 LEU 14 -3.167 -2.773 -4.877
104 2HD1 LEU 14 HD12 LEU 14 -3.131 -4.279 -5.794
105 3HD1 LEU 14 HD13 LEU 14 -2.113 -4.091 -4.366
106 1HD2 LEU 14 HD21 LEU 14 -4.553 -5.677 -5.623
107 2HD2 LEU 14 HD22 LEU 14 -5.939 -4.697 -5.145
108 3HD2 LEU 14 HD23 LEU 14 -5.481 -6.104 -4.186
109 HA PRO 15 HA PRO 15 -4.542 -6.873 1.393
110 1HB PRO 15 HB2 PRO 15 -2.026 -8.095 2.066
111 2HB PRO 15 HB1 PRO 15 -3.440 -8.858 1.332
112 1HG PRO 15 HG2 PRO 15 -0.926 -8.188 0.085
113 2HG PRO 15 HG1 PRO 15 -2.310 -9.029 -0.620
114 1HD PRO 15 HD2 PRO 15 -1.419 -6.380 -1.213
115 2HD PRO 15 HD1 PRO 15 -2.898 -7.176 -1.800
116 H LYS 16 HN LYS 16 -1.164 -5.689 1.606
117 HA LYS 16 HA LYS 16 -1.156 -5.096 4.394
118 1HB LYS 16 HB2 LYS 16 0.355 -4.346 1.939
119 2HB LYS 16 HB1 LYS 16 0.585 -3.313 3.350
120 1HG LYS 16 HG2 LYS 16 1.838 -4.874 4.386
121 2HG LYS 16 HG1 LYS 16 0.634 -6.127 4.083
122 1HD LYS 16 HD2 LYS 16 1.614 -6.785 2.093
123 2HD LYS 16 HD1 LYS 16 2.300 -5.190 1.782
124 1HE LYS 16 HE2 LYS 16 4.158 -6.600 2.370
125 2HE LYS 16 HE1 LYS 16 3.823 -5.627 3.818
126 1HZ LYS 16 HZ1 LYS 16 2.101 -7.638 4.139
127 2HZ LYS 16 HZ2 LYS 16 3.667 -7.636 4.800
128 3HZ LYS 16 HZ3 LYS 16 3.356 -8.457 3.344
129 H CYS 17 HN CYS 17 -2.062 -3.098 1.579
130 HA CYS 17 HA CYS 17 -2.467 -0.619 2.873
131 1HB CYS 17 HB2 CYS 17 -2.536 -1.225 0.403
132 2HB CYS 17 HB1 CYS 17 -4.172 -1.828 0.676
133 H LYS 18 HN LYS 18 -4.660 -3.415 2.573
134 HA LYS 18 HA LYS 18 -6.948 -2.169 3.795
135 1HB LYS 18 HB2 LYS 18 -7.155 -4.162 2.452
136 2HB LYS 18 HB1 LYS 18 -6.002 -5.031 3.467
137 1HG LYS 18 HG2 LYS 18 -8.026 -4.062 5.197
138 2HG LYS 18 HG1 LYS 18 -8.849 -4.770 3.807
139 1HD LYS 18 HD2 LYS 18 -7.992 -6.889 4.201
140 2HD LYS 18 HD1 LYS 18 -6.560 -6.269 5.024
141 1HE LYS 18 HE2 LYS 18 -7.709 -6.964 6.900
142 2HE LYS 18 HE1 LYS 18 -8.506 -5.388 6.719
143 1HZ LYS 18 HZ1 LYS 18 -10.127 -7.202 6.818
144 2HZ LYS 18 HZ2 LYS 18 -9.410 -7.925 5.458
145 3HZ LYS 18 HZ3 LYS 18 -10.174 -6.413 5.317
146 H GLU 19 HN GLU 19 -4.336 -4.227 5.104
147 HA GLU 19 HA GLU 19 -5.310 -4.273 7.811
148 1HB GLU 19 HB2 GLU 19 -3.747 -5.918 7.053
149 2HB GLU 19 HB1 GLU 19 -2.628 -4.685 6.470
150 1HG GLU 19 HG2 GLU 19 -1.767 -5.537 8.565
151 2HG GLU 19 HG1 GLU 19 -2.366 -3.901 8.848
152 H ALA 20 HN ALA 20 -3.830 -1.802 5.946
153 HA ALA 20 HA ALA 20 -2.675 -0.389 8.278
154 1HB ALA 20 HB1 ALA 20 -1.957 1.191 6.505
155 2HB ALA 20 HB2 ALA 20 -2.916 0.292 5.330
156 3HB ALA 20 HB3 ALA 20 -1.524 -0.469 6.099
157 H ILE 21 HN ILE 21 -4.871 0.653 5.640
158 HA ILE 21 HA ILE 21 -6.259 2.409 7.624
159 HB ILE 21 HB ILE 21 -6.916 3.682 5.621
160 1HG1 ILE 21 HG12 ILE 21 -5.400 1.534 4.100
161 2HG1 ILE 21 HG11 ILE 21 -7.152 1.742 4.095
162 1HG2 ILE 21 HG21 ILE 21 -4.158 3.098 6.387
163 2HG2 ILE 21 HG22 ILE 21 -4.920 4.651 6.042
164 3HG2 ILE 21 HG23 ILE 21 -4.281 3.670 4.723
165 1HD1 ILE 21 HD11 ILE 21 -5.132 3.804 3.162
166 2HD1 ILE 21 HD12 ILE 21 -6.884 4.007 3.155
167 3HD1 ILE 21 HD13 ILE 21 -6.133 2.800 2.112
168 H GLY 22 HN GLY 22 -6.725 -0.273 5.416
169 1HA GLY 22 HA2 GLY 22 -8.636 -1.781 5.951
170 2HA GLY 22 HA1 GLY 22 -9.606 -0.332 6.224
171 H LYS 23 HN LYS 23 -7.466 -0.026 3.590
172 HA LYS 23 HA LYS 23 -9.718 -0.602 1.689
173 1HB LYS 23 HB2 LYS 23 -7.521 1.493 1.654
174 2HB LYS 23 HB1 LYS 23 -8.700 1.264 0.362
175 1HG LYS 23 HG2 LYS 23 -9.474 1.813 3.239
176 2HG LYS 23 HG1 LYS 23 -9.298 3.080 2.024
177 1HD LYS 23 HD2 LYS 23 -11.081 2.215 0.709
178 2HD LYS 23 HD1 LYS 23 -11.086 0.684 1.586
179 1HE LYS 23 HE2 LYS 23 -11.548 2.347 3.661
180 2HE LYS 23 HE1 LYS 23 -12.281 3.303 2.356
181 1HZ LYS 23 HZ1 LYS 23 -13.326 1.135 1.620
182 2HZ LYS 23 HZ2 LYS 23 -13.953 1.822 3.042
183 3HZ LYS 23 HZ3 LYS 23 -12.881 0.507 3.132
184 H ALA 24 HN ALA 24 -9.193 -2.484 0.631
185 HA ALA 24 HA ALA 24 -6.468 -3.422 0.286
186 1HB ALA 24 HB1 ALA 24 -9.243 -4.204 -0.529
187 2HB ALA 24 HB2 ALA 24 -8.048 -5.123 0.386
188 3HB ALA 24 HB3 ALA 24 -7.888 -4.964 -1.363
189 H ALA 25 HN ALA 25 -6.278 -0.941 -0.769
190 HA ALA 25 HA ALA 25 -5.920 -1.477 -3.669
191 1HB ALA 25 HB1 ALA 25 -7.705 -0.218 -4.243
192 2HB ALA 25 HB2 ALA 25 -7.063 1.140 -3.319
193 3HB ALA 25 HB3 ALA 25 -8.105 -0.047 -2.533
194 H GLY 26 HN GLY 26 -3.718 -1.066 -3.752
195 1HA GLY 26 HA2 GLY 26 -2.723 1.593 -3.530
196 2HA GLY 26 HA1 GLY 26 -2.299 0.719 -2.058
197 H LYS 27 HN LYS 27 -0.486 1.709 -4.149
198 HA LYS 27 HA LYS 27 0.553 -0.861 -5.279
199 1HB LYS 27 HB2 LYS 27 0.601 2.035 -6.031
200 2HB LYS 27 HB1 LYS 27 1.952 1.031 -6.548
201 1HG LYS 27 HG2 LYS 27 0.589 0.567 -8.320
202 2HG LYS 27 HG1 LYS 27 -0.127 -0.591 -7.199
203 1HD LYS 27 HD2 LYS 27 -1.950 0.672 -8.099
204 2HD LYS 27 HD1 LYS 27 -1.693 1.278 -6.462
205 1HE LYS 27 HE2 LYS 27 -1.927 3.217 -7.886
206 2HE LYS 27 HE1 LYS 27 -0.198 3.080 -7.511
207 1HZ LYS 27 HZ1 LYS 27 0.222 2.790 -9.660
208 2HZ LYS 27 HZ2 LYS 27 -1.429 2.943 -10.028
209 3HZ LYS 27 HZ3 LYS 27 -0.769 1.414 -9.695
210 H CYS 28 HN CYS 28 3.200 -0.020 -5.672
211 HA CYS 28 HA CYS 28 4.239 0.698 -2.968
212 1HB CYS 28 HB2 CYS 28 4.072 -1.720 -2.990
213 2HB CYS 28 HB1 CYS 28 4.825 -1.802 -4.583
214 H MET 29 HN MET 29 5.977 2.081 -3.173
215 HA MET 29 HA MET 29 7.653 1.964 -5.628
216 1HB MET 29 HB2 MET 29 5.521 3.811 -5.137
217 2HB MET 29 HB1 MET 29 7.043 4.701 -5.073
218 1HG MET 29 HG2 MET 29 7.696 3.708 -7.253
219 2HG MET 29 HG1 MET 29 6.140 2.881 -7.324
220 1HE MET 29 HE1 MET 29 5.197 4.119 -9.659
221 2HE MET 29 HE2 MET 29 3.888 5.064 -8.953
222 3HE MET 29 HE3 MET 29 4.335 3.519 -8.235
223 H ASN 30 HN ASN 30 9.778 2.468 -5.160
224 HA ASN 30 HA ASN 30 11.671 2.993 -3.846
225 1HB ASN 30 HB2 ASN 30 9.645 5.087 -3.635
226 2HB ASN 30 HB1 ASN 30 10.706 5.053 -2.227
227 1HD2 ASN 30 HD21 ASN 30 13.088 5.219 -2.660
228 2HD2 ASN 30 HD22 ASN 30 13.626 5.985 -4.077
229 H GLY 31 HN GLY 31 9.325 1.223 -2.708
230 1HA GLY 31 HA2 GLY 31 9.528 -0.201 -0.772
231 2HA GLY 31 HA1 GLY 31 10.519 1.035 0.001
232 H LYS 32 HN LYS 32 8.025 2.690 -1.346
233 HA LYS 32 HA LYS 32 6.508 2.667 1.230
234 1HB LYS 32 HB2 LYS 32 6.566 4.693 -1.031
235 2HB LYS 32 HB1 LYS 32 5.876 4.931 0.574
236 1HG LYS 32 HG2 LYS 32 8.793 4.572 -0.147
237 2HG LYS 32 HG1 LYS 32 8.035 5.972 0.611
238 1HD LYS 32 HD2 LYS 32 7.364 4.325 2.499
239 2HD LYS 32 HD1 LYS 32 8.590 3.262 1.808
240 1HE LYS 32 HE2 LYS 32 10.347 4.759 2.297
241 2HE LYS 32 HE1 LYS 32 9.243 6.140 2.457
242 1HZ LYS 32 HZ1 LYS 32 9.558 5.564 4.648
243 2HZ LYS 32 HZ2 LYS 32 9.698 3.904 4.315
244 3HZ LYS 32 HZ3 LYS 32 8.174 4.654 4.279
245 H CYS 33 HN CYS 33 4.121 2.832 1.058
246 HA CYS 33 HA CYS 33 3.105 1.378 -1.354
247 1HB CYS 33 HB2 CYS 33 2.964 0.533 1.101
248 2HB CYS 33 HB1 CYS 33 1.692 1.740 1.286
249 H LYS 34 HN LYS 34 1.600 2.366 -2.652
250 HA LYS 34 HA LYS 34 0.719 5.120 -1.926
251 1HB LYS 34 HB2 LYS 34 1.315 3.550 -4.359
252 2HB LYS 34 HB1 LYS 34 -0.085 4.615 -4.505
253 1HG LYS 34 HG2 LYS 34 1.223 6.539 -3.869
254 2HG LYS 34 HG1 LYS 34 2.607 5.527 -3.456
255 1HD LYS 34 HD2 LYS 34 3.278 6.073 -5.574
256 2HD LYS 34 HD1 LYS 34 2.211 4.741 -6.018
257 1HE LYS 34 HE2 LYS 34 0.723 7.233 -5.680
258 2HE LYS 34 HE1 LYS 34 1.979 7.369 -6.927
259 1HZ LYS 34 HZ1 LYS 34 0.469 4.878 -6.842
260 2HZ LYS 34 HZ2 LYS 34 1.061 5.742 -8.180
261 3HZ LYS 34 HZ3 LYS 34 -0.366 6.243 -7.406
262 H CYS 35 HN CYS 35 -0.936 4.305 -0.386
263 HA CYS 35 HA CYS 35 -3.085 2.575 -1.353
264 1HB CYS 35 HB2 CYS 35 -2.385 4.130 1.118
265 2HB CYS 35 HB1 CYS 35 -4.030 3.520 0.934
266 H TYR 36 HN TYR 36 -5.055 3.230 -2.180
267 HA TYR 36 HA TYR 36 -5.463 6.168 -2.549
268 1HB TYR 36 HB2 TYR 36 -5.935 3.691 -4.117
269 2HB TYR 36 HB1 TYR 36 -7.160 4.949 -4.280
270 HD1 TYR 36 HD1 TYR 36 -3.484 4.328 -4.479
271 HD2 TYR 36 HD2 TYR 36 -6.758 6.879 -5.585
272 HE1 TYR 36 HE1 TYR 36 -1.983 5.600 -5.987
273 HE2 TYR 36 HE2 TYR 36 -5.257 8.152 -7.094
274 HH TYR 36 HH TYR 36 -3.174 7.870 -8.278
275 HA PRO 37 HA PRO 37 -8.718 5.528 0.516
276 1HB PRO 37 HB2 PRO 37 -9.662 8.179 -0.080
277 2HB PRO 37 HB1 PRO 37 -8.745 7.642 1.331
278 1HG PRO 37 HG2 PRO 37 -7.826 9.257 -0.858
279 2HG PRO 37 HG1 PRO 37 -6.915 8.723 0.557
280 1HD PRO 37 HD2 PRO 37 -6.638 7.813 -2.163
281 2HD PRO 37 HD1 PRO 37 -5.740 7.255 -0.730
Start of MODEL 7
1 1H VAL 1 HT1 VAL 1 -2.235 10.449 0.284
2 2H VAL 1 HT2 VAL 1 -2.106 8.896 -0.396
3 3H VAL 1 HT3 VAL 1 -0.705 9.772 0.002
4 HA VAL 1 HA VAL 1 -1.210 9.621 2.350
5 HB VAL 1 HB VAL 1 -3.689 8.281 1.225
6 1HG1 VAL 1 HG11 VAL 1 -4.344 8.132 3.669
7 2HG1 VAL 1 HG12 VAL 1 -2.672 8.526 4.069
8 3HG1 VAL 1 HG13 VAL 1 -3.043 7.043 3.189
9 1HG2 VAL 1 HG21 VAL 1 -4.772 10.136 2.606
10 2HG2 VAL 1 HG22 VAL 1 -3.905 10.667 1.165
11 3HG2 VAL 1 HG23 VAL 1 -3.162 10.840 2.755
12 H PHE 2 HN PHE 2 0.790 8.410 1.527
13 HA PHE 2 HA PHE 2 0.369 5.485 1.166
14 1HB PHE 2 HB2 PHE 2 2.881 7.184 1.046
15 2HB PHE 2 HB1 PHE 2 2.705 5.532 0.459
16 HD1 PHE 2 HD1 PHE 2 -0.326 6.404 -0.435
17 HD2 PHE 2 HD2 PHE 2 3.672 7.706 -1.310
18 HE1 PHE 2 HE1 PHE 2 -1.088 7.264 -2.630
19 HE2 PHE 2 HE2 PHE 2 2.911 8.567 -3.505
20 HZ PHE 2 HZ PHE 2 0.531 8.350 -4.166
21 H ILE 3 HN ILE 3 1.484 3.972 2.552
22 HA ILE 3 HA ILE 3 2.072 5.070 5.270
23 HB ILE 3 HB ILE 3 1.515 2.816 6.021
24 1HG1 ILE 3 HG12 ILE 3 1.057 2.067 3.128
25 2HG1 ILE 3 HG11 ILE 3 2.592 1.759 3.938
26 1HG2 ILE 3 HG21 ILE 3 -0.750 2.724 4.422
27 2HG2 ILE 3 HG22 ILE 3 -0.264 4.417 4.337
28 3HG2 ILE 3 HG23 ILE 3 -0.576 3.667 5.902
29 1HD1 ILE 3 HD11 ILE 3 0.035 0.874 5.241
30 2HD1 ILE 3 HD12 ILE 3 1.660 0.208 5.411
31 3HD1 ILE 3 HD13 ILE 3 0.731 -0.097 3.944
32 H ASN 4 HN ASN 4 4.062 4.592 6.250
33 HA ASN 4 HA ASN 4 6.260 3.843 4.455
34 1HB ASN 4 HB2 ASN 4 7.608 4.433 6.443
35 2HB ASN 4 HB1 ASN 4 6.389 5.669 6.126
36 1HD2 ASN 4 HD21 ASN 4 7.743 4.433 8.720
37 2HD2 ASN 4 HD22 ASN 4 6.413 4.223 9.754
38 H ALA 5 HN ALA 5 5.185 1.561 4.223
39 HA ALA 5 HA ALA 5 5.996 -0.202 6.508
40 1HB ALA 5 HB1 ALA 5 4.429 -1.666 4.738
41 2HB ALA 5 HB2 ALA 5 3.742 -0.045 4.642
42 3HB ALA 5 HB3 ALA 5 3.848 -0.867 6.199
43 H LYS 6 HN LYS 6 7.653 0.916 4.171
44 HA LYS 6 HA LYS 6 9.073 0.102 2.431
45 1HB LYS 6 HB2 LYS 6 10.611 -1.571 3.482
46 2HB LYS 6 HB1 LYS 6 10.282 -0.176 4.507
47 1HG LYS 6 HG2 LYS 6 8.632 -1.450 5.778
48 2HG LYS 6 HG1 LYS 6 8.835 -2.834 4.702
49 1HD LYS 6 HD2 LYS 6 11.116 -3.149 5.422
50 2HD LYS 6 HD1 LYS 6 11.096 -1.632 6.323
51 1HE LYS 6 HE2 LYS 6 8.891 -3.269 7.206
52 2HE LYS 6 HE1 LYS 6 10.398 -4.203 7.300
53 1HZ LYS 6 HZ1 LYS 6 9.839 -1.532 8.460
54 2HZ LYS 6 HZ2 LYS 6 11.418 -2.133 8.277
55 3HZ LYS 6 HZ3 LYS 6 10.308 -2.943 9.276
56 H CYS 7 HN CYS 7 6.844 -0.718 1.442
57 HA CYS 7 HA CYS 7 6.114 -3.454 1.412
58 1HB CYS 7 HB2 CYS 7 5.051 -2.829 -0.737
59 2HB CYS 7 HB1 CYS 7 4.821 -1.566 0.473
60 H ARG 8 HN ARG 8 6.446 -4.941 -0.531
61 HA ARG 8 HA ARG 8 9.270 -4.747 -1.535
62 1HB ARG 8 HB2 ARG 8 7.592 -7.042 -0.505
63 2HB ARG 8 HB1 ARG 8 9.048 -7.316 -1.461
64 1HG ARG 8 HG2 ARG 8 9.666 -5.383 0.551
65 2HG ARG 8 HG1 ARG 8 8.859 -6.745 1.330
66 1HD ARG 8 HD2 ARG 8 10.449 -8.278 0.064
67 2HD ARG 8 HD1 ARG 8 11.352 -6.823 -0.396
68 HE ARG 8 HE ARG 8 10.894 -7.680 2.437
69 1HH1 ARG 8 HH21 ARG 8 12.011 -5.188 0.451
70 2HH1 ARG 8 HH22 ARG 8 13.516 -4.974 1.282
71 1HH2 ARG 8 HH11 ARG 8 13.082 -7.740 3.328
72 2HH2 ARG 8 HH12 ARG 8 14.123 -6.421 2.910
73 H GLY 9 HN GLY 9 5.908 -5.425 -2.267
74 1HA GLY 9 HA2 GLY 9 6.546 -5.350 -5.150
75 2HA GLY 9 HA1 GLY 9 5.758 -6.816 -4.566
76 H SER 10 HN SER 10 4.738 -4.709 -6.412
77 HA SER 10 HA SER 10 2.899 -2.911 -5.382
78 1HB SER 10 HB2 SER 10 3.450 -4.233 -7.808
79 2HB SER 10 HB1 SER 10 1.727 -4.465 -7.525
80 HG SER 10 HG SER 10 3.186 -2.033 -7.588
81 HA PRO 11 HA PRO 11 -0.405 -6.456 -5.016
82 1HB PRO 11 HB2 PRO 11 1.045 -8.908 -4.612
83 2HB PRO 11 HB1 PRO 11 -0.054 -8.497 -5.931
84 1HG PRO 11 HG2 PRO 11 2.791 -8.765 -6.052
85 2HG PRO 11 HG1 PRO 11 1.692 -8.305 -7.355
86 1HD PRO 11 HD2 PRO 11 3.570 -6.634 -5.932
87 2HD PRO 11 HD1 PRO 11 2.502 -6.180 -7.282
88 H GLU 12 HN GLU 12 2.620 -6.238 -3.324
89 HA GLU 12 HA GLU 12 1.818 -7.515 -0.855
90 1HB GLU 12 HB2 GLU 12 4.152 -7.106 -1.607
91 2HB GLU 12 HB1 GLU 12 3.887 -5.370 -1.443
92 1HG GLU 12 HG2 GLU 12 4.061 -5.429 0.822
93 2HG GLU 12 HG1 GLU 12 3.169 -6.946 0.946
94 H CYS 13 HN CYS 13 1.346 -4.311 -2.221
95 HA CYS 13 HA CYS 13 0.654 -3.012 0.288
96 1HB CYS 13 HB2 CYS 13 1.341 -2.220 -2.229
97 2HB CYS 13 HB1 CYS 13 -0.405 -1.979 -2.280
98 H LEU 14 HN LEU 14 -1.131 -4.870 -2.129
99 HA LEU 14 HA LEU 14 -3.767 -4.004 -1.577
100 1HB LEU 14 HB2 LEU 14 -2.423 -6.128 -2.925
101 2HB LEU 14 HB1 LEU 14 -3.676 -6.857 -1.921
102 HG LEU 14 HG LEU 14 -4.730 -6.350 -4.002
103 1HD1 LEU 14 HD11 LEU 14 -6.529 -5.137 -3.224
104 2HD1 LEU 14 HD12 LEU 14 -5.512 -3.879 -2.523
105 3HD1 LEU 14 HD13 LEU 14 -5.706 -5.422 -1.690
106 1HD2 LEU 14 HD21 LEU 14 -4.545 -3.601 -4.399
107 2HD2 LEU 14 HD22 LEU 14 -3.670 -4.835 -5.306
108 3HD2 LEU 14 HD23 LEU 14 -2.912 -4.060 -3.914
109 HA PRO 15 HA PRO 15 -3.902 -7.328 1.966
110 1HB PRO 15 HB2 PRO 15 -1.186 -7.887 2.719
111 2HB PRO 15 HB1 PRO 15 -2.379 -9.007 2.054
112 1HG PRO 15 HG2 PRO 15 -0.052 -7.955 0.758
113 2HG PRO 15 HG1 PRO 15 -1.265 -9.049 0.086
114 1HD PRO 15 HD2 PRO 15 -0.847 -6.257 -0.533
115 2HD PRO 15 HD1 PRO 15 -2.033 -7.376 -1.237
116 H LYS 16 HN LYS 16 -0.860 -5.425 2.079
117 HA LYS 16 HA LYS 16 -1.151 -4.629 4.833
118 1HB LYS 16 HB2 LYS 16 0.385 -3.380 2.532
119 2HB LYS 16 HB1 LYS 16 0.714 -3.135 4.247
120 1HG LYS 16 HG2 LYS 16 0.717 -5.879 2.977
121 2HG LYS 16 HG1 LYS 16 2.169 -4.880 3.071
122 1HD LYS 16 HD2 LYS 16 0.486 -5.551 5.494
123 2HD LYS 16 HD1 LYS 16 1.855 -6.539 4.981
124 1HE LYS 16 HE2 LYS 16 3.419 -4.858 5.466
125 2HE LYS 16 HE1 LYS 16 2.206 -3.566 5.356
126 1HZ LYS 16 HZ1 LYS 16 1.778 -5.699 7.316
127 2HZ LYS 16 HZ2 LYS 16 1.345 -4.058 7.392
128 3HZ LYS 16 HZ3 LYS 16 2.952 -4.528 7.677
129 H CYS 17 HN CYS 17 -1.653 -2.772 1.797
130 HA CYS 17 HA CYS 17 -2.566 -0.365 2.953
131 1HB CYS 17 HB2 CYS 17 -1.992 -0.889 0.544
132 2HB CYS 17 HB1 CYS 17 -3.563 -1.679 0.407
133 H LYS 18 HN LYS 18 -4.482 -3.194 1.894
134 HA LYS 18 HA LYS 18 -7.049 -2.207 2.622
135 1HB LYS 18 HB2 LYS 18 -6.280 -4.305 1.305
136 2HB LYS 18 HB1 LYS 18 -6.157 -5.081 2.884
137 1HG LYS 18 HG2 LYS 18 -8.666 -3.591 2.203
138 2HG LYS 18 HG1 LYS 18 -8.418 -5.195 1.514
139 1HD LYS 18 HD2 LYS 18 -7.936 -4.795 4.445
140 2HD LYS 18 HD1 LYS 18 -9.598 -4.922 3.865
141 1HE LYS 18 HE2 LYS 18 -7.671 -6.950 2.827
142 2HE LYS 18 HE1 LYS 18 -8.170 -7.105 4.523
143 1HZ LYS 18 HZ1 LYS 18 -10.221 -6.451 2.541
144 2HZ LYS 18 HZ2 LYS 18 -10.348 -7.365 3.969
145 3HZ LYS 18 HZ3 LYS 18 -9.653 -8.050 2.577
146 H GLU 19 HN GLU 19 -4.537 -3.814 4.539
147 HA GLU 19 HA GLU 19 -6.273 -3.772 6.951
148 1HB GLU 19 HB2 GLU 19 -3.589 -4.949 6.203
149 2HB GLU 19 HB1 GLU 19 -4.187 -4.983 7.861
150 1HG GLU 19 HG2 GLU 19 -6.364 -5.862 6.366
151 2HG GLU 19 HG1 GLU 19 -4.981 -6.619 5.573
152 H ALA 20 HN ALA 20 -4.527 -1.497 5.439
153 HA ALA 20 HA ALA 20 -3.396 -0.386 7.990
154 1HB ALA 20 HB1 ALA 20 -2.497 -0.066 5.108
155 2HB ALA 20 HB2 ALA 20 -1.704 -1.056 6.333
156 3HB ALA 20 HB3 ALA 20 -1.730 0.700 6.500
157 H ILE 21 HN ILE 21 -5.554 0.127 5.318
158 HA ILE 21 HA ILE 21 -6.021 2.927 6.292
159 HB ILE 21 HB ILE 21 -4.772 2.797 4.137
160 1HG1 ILE 21 HG12 ILE 21 -7.632 3.799 3.943
161 2HG1 ILE 21 HG11 ILE 21 -6.251 4.709 4.554
162 1HG2 ILE 21 HG21 ILE 21 -6.502 0.670 3.643
163 2HG2 ILE 21 HG22 ILE 21 -5.392 1.394 2.481
164 3HG2 ILE 21 HG23 ILE 21 -7.069 1.937 2.557
165 1HD1 ILE 21 HD11 ILE 21 -7.065 4.924 2.011
166 2HD1 ILE 21 HD12 ILE 21 -6.008 3.525 1.828
167 3HD1 ILE 21 HD13 ILE 21 -5.361 5.041 2.455
168 H GLY 22 HN GLY 22 -7.387 -0.091 5.102
169 1HA GLY 22 HA2 GLY 22 -9.622 -0.715 5.974
170 2HA GLY 22 HA1 GLY 22 -10.093 0.976 5.791
171 H LYS 23 HN LYS 23 -8.209 0.193 3.166
172 HA LYS 23 HA LYS 23 -10.497 -0.860 1.563
173 1HB LYS 23 HB2 LYS 23 -9.000 1.741 1.299
174 2HB LYS 23 HB1 LYS 23 -9.718 0.991 -0.127
175 1HG LYS 23 HG2 LYS 23 -11.379 1.292 2.354
176 2HG LYS 23 HG1 LYS 23 -11.131 2.692 1.311
177 1HD LYS 23 HD2 LYS 23 -12.684 1.915 -0.116
178 2HD LYS 23 HD1 LYS 23 -11.738 0.445 -0.352
179 1HE LYS 23 HE2 LYS 23 -12.986 0.241 2.209
180 2HE LYS 23 HE1 LYS 23 -14.230 0.717 1.035
181 1HZ LYS 23 HZ1 LYS 23 -12.248 -1.456 0.607
182 2HZ LYS 23 HZ2 LYS 23 -13.519 -1.027 -0.436
183 3HZ LYS 23 HZ3 LYS 23 -13.856 -1.709 1.084
184 H ALA 24 HN ALA 24 -9.800 -2.374 0.090
185 HA ALA 24 HA ALA 24 -7.003 -3.154 0.014
186 1HB ALA 24 HB1 ALA 24 -9.106 -4.029 -1.950
187 2HB ALA 24 HB2 ALA 24 -9.255 -4.485 -0.253
188 3HB ALA 24 HB3 ALA 24 -7.842 -4.988 -1.180
189 H ALA 25 HN ALA 25 -6.836 -0.575 -0.774
190 HA ALA 25 HA ALA 25 -6.337 -0.769 -3.722
191 1HB ALA 25 HB1 ALA 25 -7.135 1.643 -3.776
192 2HB ALA 25 HB2 ALA 25 -7.679 1.422 -2.113
193 3HB ALA 25 HB3 ALA 25 -8.391 0.460 -3.409
194 H GLY 26 HN GLY 26 -4.058 -0.964 -3.427
195 1HA GLY 26 HA2 GLY 26 -2.669 1.530 -2.848
196 2HA GLY 26 HA1 GLY 26 -2.388 0.297 -1.619
197 H LYS 27 HN LYS 27 -0.378 1.380 -3.384
198 HA LYS 27 HA LYS 27 0.362 -1.115 -4.879
199 1HB LYS 27 HB2 LYS 27 0.758 1.795 -5.650
200 2HB LYS 27 HB1 LYS 27 1.353 0.418 -6.575
201 1HG LYS 27 HG2 LYS 27 -0.670 0.050 -7.504
202 2HG LYS 27 HG1 LYS 27 -1.479 0.149 -5.941
203 1HD LYS 27 HD2 LYS 27 -2.286 1.941 -7.400
204 2HD LYS 27 HD1 LYS 27 -1.361 2.631 -6.066
205 1HE LYS 27 HE2 LYS 27 0.597 2.167 -7.972
206 2HE LYS 27 HE1 LYS 27 -0.790 2.705 -8.943
207 1HZ LYS 27 HZ1 LYS 27 0.712 4.473 -7.829
208 2HZ LYS 27 HZ2 LYS 27 -0.136 4.069 -6.414
209 3HZ LYS 27 HZ3 LYS 27 -0.971 4.666 -7.768
210 H CYS 28 HN CYS 28 2.918 -0.720 -5.486
211 HA CYS 28 HA CYS 28 4.268 0.267 -2.996
212 1HB CYS 28 HB2 CYS 28 4.053 -2.134 -2.847
213 2HB CYS 28 HB1 CYS 28 4.613 -2.337 -4.507
214 H MET 29 HN MET 29 5.625 1.891 -3.640
215 HA MET 29 HA MET 29 7.450 1.410 -5.930
216 1HB MET 29 HB2 MET 29 5.377 2.471 -6.816
217 2HB MET 29 HB1 MET 29 5.611 3.815 -5.697
218 1HG MET 29 HG2 MET 29 6.501 4.398 -7.909
219 2HG MET 29 HG1 MET 29 7.816 4.277 -6.738
220 1HE MET 29 HE1 MET 29 5.968 3.287 -9.521
221 2HE MET 29 HE2 MET 29 6.028 1.525 -9.541
222 3HE MET 29 HE3 MET 29 7.114 2.449 -10.576
223 H ASN 30 HN ASN 30 9.352 2.751 -5.804
224 HA ASN 30 HA ASN 30 10.996 4.038 -4.687
225 1HB ASN 30 HB2 ASN 30 8.356 5.225 -4.178
226 2HB ASN 30 HB1 ASN 30 9.543 5.623 -2.938
227 1HD2 ASN 30 HD21 ASN 30 8.401 6.603 -5.955
228 2HD2 ASN 30 HD22 ASN 30 9.747 7.504 -6.459
229 H GLY 31 HN GLY 31 9.411 1.592 -3.360
230 1HA GLY 31 HA2 GLY 31 10.020 0.288 -1.471
231 2HA GLY 31 HA1 GLY 31 11.036 1.622 -0.917
232 H LYS 32 HN LYS 32 7.746 2.291 -1.828
233 HA LYS 32 HA LYS 32 6.961 2.403 1.065
234 1HB LYS 32 HB2 LYS 32 6.806 4.482 -1.124
235 2HB LYS 32 HB1 LYS 32 5.779 4.577 0.307
236 1HG LYS 32 HG2 LYS 32 7.568 4.957 1.737
237 2HG LYS 32 HG1 LYS 32 8.720 4.143 0.679
238 1HD LYS 32 HD2 LYS 32 8.710 5.995 -0.872
239 2HD LYS 32 HD1 LYS 32 7.385 6.774 -0.006
240 1HE LYS 32 HE2 LYS 32 8.757 7.366 1.818
241 2HE LYS 32 HE1 LYS 32 9.981 6.148 1.406
242 1HZ LYS 32 HZ1 LYS 32 9.287 8.239 -0.544
243 2HZ LYS 32 HZ2 LYS 32 10.735 7.366 -0.378
244 3HZ LYS 32 HZ3 LYS 32 10.359 8.609 0.718
245 H CYS 33 HN CYS 33 4.562 2.398 1.343
246 HA CYS 33 HA CYS 33 3.253 0.814 -0.834
247 1HB CYS 33 HB2 CYS 33 3.577 0.439 1.876
248 2HB CYS 33 HB1 CYS 33 1.960 1.131 1.800
249 H LYS 34 HN LYS 34 1.790 1.934 -2.085
250 HA LYS 34 HA LYS 34 0.805 4.575 -1.185
251 1HB LYS 34 HB2 LYS 34 1.046 2.997 -3.693
252 2HB LYS 34 HB1 LYS 34 -0.313 4.119 -3.620
253 1HG LYS 34 HG2 LYS 34 1.101 5.798 -4.109
254 2HG LYS 34 HG1 LYS 34 1.913 5.513 -2.570
255 1HD LYS 34 HD2 LYS 34 3.730 5.026 -3.839
256 2HD LYS 34 HD1 LYS 34 2.925 3.484 -4.126
257 1HE LYS 34 HE2 LYS 34 3.195 4.119 -6.331
258 2HE LYS 34 HE1 LYS 34 1.692 5.007 -6.014
259 1HZ LYS 34 HZ1 LYS 34 3.104 6.864 -5.192
260 2HZ LYS 34 HZ2 LYS 34 3.278 6.557 -6.853
261 3HZ LYS 34 HZ3 LYS 34 4.467 6.032 -5.760
262 H CYS 35 HN CYS 35 -1.502 5.057 -1.103
263 HA CYS 35 HA CYS 35 -3.356 2.728 -1.103
264 1HB CYS 35 HB2 CYS 35 -2.508 4.425 1.231
265 2HB CYS 35 HB1 CYS 35 -4.135 3.744 1.202
266 H TYR 36 HN TYR 36 -5.646 3.455 -0.996
267 HA TYR 36 HA TYR 36 -6.098 6.343 -1.568
268 1HB TYR 36 HB2 TYR 36 -6.815 3.987 -3.341
269 2HB TYR 36 HB1 TYR 36 -7.443 5.616 -3.582
270 HD1 TYR 36 HD1 TYR 36 -4.642 3.388 -4.082
271 HD2 TYR 36 HD2 TYR 36 -5.807 7.520 -3.964
272 HE1 TYR 36 HE1 TYR 36 -2.575 4.007 -5.305
273 HE2 TYR 36 HE2 TYR 36 -3.740 8.139 -5.185
274 HH TYR 36 HH TYR 36 -1.307 6.944 -5.400
275 HA PRO 37 HA PRO 37 -9.749 5.813 0.816
276 1HB PRO 37 HB2 PRO 37 -11.467 7.195 -1.032
277 2HB PRO 37 HB1 PRO 37 -10.725 7.824 0.442
278 1HG PRO 37 HG2 PRO 37 -10.047 8.450 -2.276
279 2HG PRO 37 HG1 PRO 37 -9.306 9.076 -0.801
280 1HD PRO 37 HD2 PRO 37 -8.178 7.213 -2.692
281 2HD PRO 37 HD1 PRO 37 -7.437 7.831 -1.195
Start of MODEL 8
1 1H VAL 1 HT1 VAL 1 -1.459 9.511 0.792
2 2H VAL 1 HT2 VAL 1 -2.562 10.415 1.714
3 3H VAL 1 HT3 VAL 1 -3.114 9.145 0.731
4 HA VAL 1 HA VAL 1 -1.851 9.041 3.366
5 HB VAL 1 HB VAL 1 -3.928 7.515 1.765
6 1HG1 VAL 1 HG11 VAL 1 -4.011 5.932 3.378
7 2HG1 VAL 1 HG12 VAL 1 -3.916 7.136 4.665
8 3HG1 VAL 1 HG13 VAL 1 -2.441 6.539 3.904
9 1HG2 VAL 1 HG21 VAL 1 -3.965 9.932 3.316
10 2HG2 VAL 1 HG22 VAL 1 -4.929 8.712 4.147
11 3HG2 VAL 1 HG23 VAL 1 -5.305 9.147 2.480
12 H PHE 2 HN PHE 2 0.373 8.521 2.716
13 HA PHE 2 HA PHE 2 0.656 5.768 1.550
14 1HB PHE 2 HB2 PHE 2 2.409 8.236 1.367
15 2HB PHE 2 HB1 PHE 2 2.870 6.654 0.743
16 HD1 PHE 2 HD1 PHE 2 2.603 9.169 -0.930
17 HD2 PHE 2 HD2 PHE 2 -0.214 6.067 0.018
18 HE1 PHE 2 HE1 PHE 2 1.374 9.636 -3.031
19 HE2 PHE 2 HE2 PHE 2 -1.439 6.535 -2.078
20 HZ PHE 2 HZ PHE 2 -0.649 8.322 -3.605
21 H ILE 3 HN ILE 3 2.055 4.357 2.614
22 HA ILE 3 HA ILE 3 3.062 5.285 5.278
23 HB ILE 3 HB ILE 3 2.830 2.400 4.496
24 1HG1 ILE 3 HG12 ILE 3 0.432 4.084 5.299
25 2HG1 ILE 3 HG11 ILE 3 0.724 3.498 3.661
26 1HG2 ILE 3 HG21 ILE 3 2.039 2.276 6.875
27 2HG2 ILE 3 HG22 ILE 3 2.282 4.019 6.998
28 3HG2 ILE 3 HG23 ILE 3 3.658 2.955 6.705
29 1HD1 ILE 3 HD11 ILE 3 1.012 1.184 5.049
30 2HD1 ILE 3 HD12 ILE 3 -0.524 1.717 4.364
31 3HD1 ILE 3 HD13 ILE 3 -0.168 2.012 6.066
32 H ASN 4 HN ASN 4 5.160 4.256 5.951
33 HA ASN 4 HA ASN 4 6.965 3.878 3.586
34 1HB ASN 4 HB2 ASN 4 8.706 4.726 5.206
35 2HB ASN 4 HB1 ASN 4 7.424 5.890 4.872
36 1HD2 ASN 4 HD21 ASN 4 5.805 6.263 6.571
37 2HD2 ASN 4 HD22 ASN 4 6.099 5.788 8.174
38 H ALA 5 HN ALA 5 5.791 1.570 4.147
39 HA ALA 5 HA ALA 5 7.234 0.105 6.276
40 1HB ALA 5 HB1 ALA 5 4.701 0.044 5.279
41 2HB ALA 5 HB2 ALA 5 5.444 -1.321 6.113
42 3HB ALA 5 HB3 ALA 5 5.435 -1.263 4.350
43 H LYS 6 HN LYS 6 8.217 1.062 3.348
44 HA LYS 6 HA LYS 6 9.749 0.207 1.757
45 1HB LYS 6 HB2 LYS 6 10.287 -1.814 3.949
46 2HB LYS 6 HB1 LYS 6 11.425 -1.207 2.745
47 1HG LYS 6 HG2 LYS 6 12.044 0.272 4.348
48 2HG LYS 6 HG1 LYS 6 10.550 1.116 3.938
49 1HD LYS 6 HD2 LYS 6 9.503 0.460 5.850
50 2HD LYS 6 HD1 LYS 6 10.222 -1.151 5.805
51 1HE LYS 6 HE2 LYS 6 12.425 -0.061 6.499
52 2HE LYS 6 HE1 LYS 6 11.486 1.409 6.827
53 1HZ LYS 6 HZ1 LYS 6 9.957 -0.486 7.953
54 2HZ LYS 6 HZ2 LYS 6 11.105 0.434 8.802
55 3HZ LYS 6 HZ3 LYS 6 11.503 -1.119 8.242
56 H CYS 7 HN CYS 7 7.089 -0.745 1.455
57 HA CYS 7 HA CYS 7 6.535 -3.452 1.381
58 1HB CYS 7 HB2 CYS 7 5.232 -2.865 -0.696
59 2HB CYS 7 HB1 CYS 7 4.999 -1.726 0.630
60 H ARG 8 HN ARG 8 6.605 -4.926 -0.615
61 HA ARG 8 HA ARG 8 9.251 -4.671 -2.011
62 1HB ARG 8 HB2 ARG 8 7.815 -7.147 -0.993
63 2HB ARG 8 HB1 ARG 8 9.394 -7.123 -1.779
64 1HG ARG 8 HG2 ARG 8 9.363 -5.229 0.398
65 2HG ARG 8 HG1 ARG 8 8.853 -6.815 0.978
66 1HD ARG 8 HD2 ARG 8 11.162 -6.891 -0.866
67 2HD ARG 8 HD1 ARG 8 11.477 -6.084 0.682
68 HE ARG 8 HE ARG 8 9.997 -8.616 0.893
69 1HH1 ARG 8 HH21 ARG 8 11.741 -7.376 3.034
70 2HH1 ARG 8 HH22 ARG 8 13.120 -8.423 3.007
71 1HH2 ARG 8 HH11 ARG 8 12.331 -9.815 -0.070
72 2HH2 ARG 8 HH12 ARG 8 13.453 -9.806 1.249
73 H GLY 9 HN GLY 9 5.836 -5.358 -2.253
74 1HA GLY 9 HA2 GLY 9 6.136 -5.537 -5.205
75 2HA GLY 9 HA1 GLY 9 5.217 -6.795 -4.379
76 H SER 10 HN SER 10 3.948 -5.237 -6.284
77 HA SER 10 HA SER 10 2.573 -2.971 -5.057
78 1HB SER 10 HB2 SER 10 3.070 -4.009 -7.614
79 2HB SER 10 HB1 SER 10 1.325 -4.137 -7.410
80 HG SER 10 HG SER 10 2.800 -1.800 -6.781
81 HA PRO 11 HA PRO 11 -1.123 -6.121 -5.171
82 1HB PRO 11 HB2 PRO 11 0.019 -8.761 -5.068
83 2HB PRO 11 HB1 PRO 11 -0.989 -8.059 -6.337
84 1HG PRO 11 HG2 PRO 11 1.796 -8.664 -6.471
85 2HG PRO 11 HG1 PRO 11 0.806 -7.879 -7.704
86 1HD PRO 11 HD2 PRO 11 2.830 -6.694 -5.998
87 2HD PRO 11 HD1 PRO 11 1.916 -5.927 -7.320
88 H GLU 12 HN GLU 12 1.899 -6.745 -3.483
89 HA GLU 12 HA GLU 12 0.761 -8.049 -1.163
90 1HB GLU 12 HB2 GLU 12 3.319 -6.956 -2.119
91 2HB GLU 12 HB1 GLU 12 3.109 -6.815 -0.374
92 1HG GLU 12 HG2 GLU 12 2.178 -9.390 -1.057
93 2HG GLU 12 HG1 GLU 12 3.689 -9.172 -1.939
94 H CYS 13 HN CYS 13 1.409 -4.675 -2.043
95 HA CYS 13 HA CYS 13 0.939 -3.514 0.539
96 1HB CYS 13 HB2 CYS 13 1.401 -2.735 -2.208
97 2HB CYS 13 HB1 CYS 13 0.133 -1.729 -1.507
98 H LEU 14 HN LEU 14 -1.212 -4.690 -1.979
99 HA LEU 14 HA LEU 14 -3.588 -3.284 -1.379
100 1HB LEU 14 HB2 LEU 14 -2.722 -5.667 -2.777
101 2HB LEU 14 HB1 LEU 14 -4.264 -5.960 -1.974
102 HG LEU 14 HG LEU 14 -4.794 -3.530 -2.985
103 1HD1 LEU 14 HD11 LEU 14 -3.645 -2.997 -4.923
104 2HD1 LEU 14 HD12 LEU 14 -3.218 -4.676 -5.256
105 3HD1 LEU 14 HD13 LEU 14 -2.347 -3.773 -4.016
106 1HD2 LEU 14 HD21 LEU 14 -5.106 -5.440 -5.134
107 2HD2 LEU 14 HD22 LEU 14 -6.337 -4.770 -4.064
108 3HD2 LEU 14 HD23 LEU 14 -5.443 -6.213 -3.585
109 HA PRO 15 HA PRO 15 -4.684 -6.763 1.843
110 1HB PRO 15 HB2 PRO 15 -2.194 -7.989 2.600
111 2HB PRO 15 HB1 PRO 15 -3.594 -8.756 1.844
112 1HG PRO 15 HG2 PRO 15 -1.044 -8.115 0.650
113 2HG PRO 15 HG1 PRO 15 -2.410 -8.973 -0.072
114 1HD PRO 15 HD2 PRO 15 -1.507 -6.339 -0.710
115 2HD PRO 15 HD1 PRO 15 -2.981 -7.143 -1.300
116 H LYS 16 HN LYS 16 -1.301 -5.609 2.105
117 HA LYS 16 HA LYS 16 -1.322 -4.935 4.867
118 1HB LYS 16 HB2 LYS 16 0.185 -4.227 2.396
119 2HB LYS 16 HB1 LYS 16 0.381 -3.133 3.766
120 1HG LYS 16 HG2 LYS 16 0.535 -5.720 4.859
121 2HG LYS 16 HG1 LYS 16 1.490 -5.782 3.377
122 1HD LYS 16 HD2 LYS 16 2.043 -3.305 4.704
123 2HD LYS 16 HD1 LYS 16 2.215 -4.616 5.873
124 1HE LYS 16 HE2 LYS 16 3.505 -5.772 3.825
125 2HE LYS 16 HE1 LYS 16 3.792 -4.077 3.390
126 1HZ LYS 16 HZ1 LYS 16 5.300 -3.975 5.001
127 2HZ LYS 16 HZ2 LYS 16 4.967 -5.570 5.479
128 3HZ LYS 16 HZ3 LYS 16 4.090 -4.280 6.151
129 H CYS 17 HN CYS 17 -2.355 -3.111 2.000
130 HA CYS 17 HA CYS 17 -2.894 -0.621 3.373
131 1HB CYS 17 HB2 CYS 17 -2.504 -1.046 0.898
132 2HB CYS 17 HB1 CYS 17 -4.127 -1.734 0.833
133 H LYS 18 HN LYS 18 -4.830 -3.493 2.578
134 HA LYS 18 HA LYS 18 -7.412 -2.533 3.228
135 1HB LYS 18 HB2 LYS 18 -6.924 -4.689 2.164
136 2HB LYS 18 HB1 LYS 18 -6.118 -5.251 3.628
137 1HG LYS 18 HG2 LYS 18 -8.532 -4.483 4.639
138 2HG LYS 18 HG1 LYS 18 -9.005 -5.037 3.032
139 1HD LYS 18 HD2 LYS 18 -7.256 -7.007 3.796
140 2HD LYS 18 HD1 LYS 18 -8.006 -6.586 5.335
141 1HE LYS 18 HE2 LYS 18 -9.575 -8.121 4.583
142 2HE LYS 18 HE1 LYS 18 -10.224 -6.672 3.791
143 1HZ LYS 18 HZ1 LYS 18 -9.403 -7.276 1.785
144 2HZ LYS 18 HZ2 LYS 18 -9.541 -8.839 2.436
145 3HZ LYS 18 HZ3 LYS 18 -8.039 -8.045 2.438
146 H GLU 19 HN GLU 19 -4.923 -3.989 5.343
147 HA GLU 19 HA GLU 19 -6.566 -3.646 7.750
148 1HB GLU 19 HB2 GLU 19 -3.809 -4.611 7.033
149 2HB GLU 19 HB1 GLU 19 -4.201 -4.293 8.722
150 1HG GLU 19 HG2 GLU 19 -6.393 -5.736 7.680
151 2HG GLU 19 HG1 GLU 19 -4.947 -6.555 7.087
152 H ALA 20 HN ALA 20 -4.333 -1.717 5.939
153 HA ALA 20 HA ALA 20 -3.431 -0.036 8.145
154 1HB ALA 20 HB1 ALA 20 -3.080 1.360 5.784
155 2HB ALA 20 HB2 ALA 20 -3.122 -0.316 5.235
156 3HB ALA 20 HB3 ALA 20 -1.940 0.187 6.443
157 H ILE 21 HN ILE 21 -5.665 0.540 5.391
158 HA ILE 21 HA ILE 21 -6.903 2.749 6.997
159 HB ILE 21 HB ILE 21 -7.667 3.452 4.645
160 1HG1 ILE 21 HG12 ILE 21 -5.489 1.516 3.813
161 2HG1 ILE 21 HG11 ILE 21 -7.207 1.133 3.701
162 1HG2 ILE 21 HG21 ILE 21 -4.666 3.298 5.010
163 2HG2 ILE 21 HG22 ILE 21 -5.686 4.380 5.959
164 3HG2 ILE 21 HG23 ILE 21 -5.593 4.565 4.207
165 1HD1 ILE 21 HD11 ILE 21 -5.895 3.536 2.398
166 2HD1 ILE 21 HD12 ILE 21 -7.577 3.033 2.218
167 3HD1 ILE 21 HD13 ILE 21 -6.281 2.030 1.563
168 H GLY 22 HN GLY 22 -7.575 -0.128 5.030
169 1HA GLY 22 HA2 GLY 22 -9.506 -1.520 5.824
170 2HA GLY 22 HA1 GLY 22 -10.398 -0.010 6.017
171 H LYS 23 HN LYS 23 -8.280 -0.456 3.280
172 HA LYS 23 HA LYS 23 -10.697 -0.759 1.525
173 1HB LYS 23 HB2 LYS 23 -8.917 1.383 1.800
174 2HB LYS 23 HB1 LYS 23 -8.382 0.564 0.334
175 1HG LYS 23 HG2 LYS 23 -11.184 1.555 0.932
176 2HG LYS 23 HG1 LYS 23 -10.070 2.208 -0.269
177 1HD LYS 23 HD2 LYS 23 -10.225 0.269 -1.629
178 2HD LYS 23 HD1 LYS 23 -10.956 -0.677 -0.333
179 1HE LYS 23 HE2 LYS 23 -12.507 1.733 -0.969
180 2HE LYS 23 HE1 LYS 23 -12.374 0.609 -2.336
181 1HZ LYS 23 HZ1 LYS 23 -14.192 -0.082 -0.948
182 2HZ LYS 23 HZ2 LYS 23 -13.207 -0.063 0.437
183 3HZ LYS 23 HZ3 LYS 23 -12.934 -1.208 -0.789
184 H ALA 24 HN ALA 24 -8.845 -0.813 -0.815
185 HA ALA 24 HA ALA 24 -7.077 -3.113 -0.489
186 1HB ALA 24 HB1 ALA 24 -9.865 -3.523 -0.785
187 2HB ALA 24 HB2 ALA 24 -8.595 -4.745 -0.861
188 3HB ALA 24 HB3 ALA 24 -9.138 -3.945 -2.335
189 H ALA 25 HN ALA 25 -6.588 -0.599 -1.601
190 HA ALA 25 HA ALA 25 -6.031 -1.326 -4.430
191 1HB ALA 25 HB1 ALA 25 -7.233 0.491 -5.308
192 2HB ALA 25 HB2 ALA 25 -7.229 1.356 -3.772
193 3HB ALA 25 HB3 ALA 25 -8.282 -0.040 -3.994
194 H GLY 26 HN GLY 26 -3.910 -1.378 -3.005
195 1HA GLY 26 HA2 GLY 26 -2.702 1.358 -3.106
196 2HA GLY 26 HA1 GLY 26 -2.335 0.233 -1.797
197 H LYS 27 HN LYS 27 -0.315 1.298 -3.466
198 HA LYS 27 HA LYS 27 0.535 -1.165 -4.957
199 1HB LYS 27 HB2 LYS 27 0.915 1.774 -5.620
200 2HB LYS 27 HB1 LYS 27 1.629 0.445 -6.535
201 1HG LYS 27 HG2 LYS 27 -0.272 0.445 -7.758
202 2HG LYS 27 HG1 LYS 27 -1.051 -0.269 -6.345
203 1HD LYS 27 HD2 LYS 27 -2.221 1.612 -5.933
204 2HD LYS 27 HD1 LYS 27 -0.776 2.615 -6.063
205 1HE LYS 27 HE2 LYS 27 -1.111 2.050 -8.677
206 2HE LYS 27 HE1 LYS 27 -2.802 1.947 -8.145
207 1HZ LYS 27 HZ1 LYS 27 -2.285 4.227 -8.655
208 2HZ LYS 27 HZ2 LYS 27 -0.921 4.194 -7.645
209 3HZ LYS 27 HZ3 LYS 27 -2.479 4.077 -6.977
210 H CYS 28 HN CYS 28 3.131 -0.378 -5.525
211 HA CYS 28 HA CYS 28 4.355 0.314 -2.883
212 1HB CYS 28 HB2 CYS 28 4.226 -2.124 -3.090
213 2HB CYS 28 HB1 CYS 28 4.972 -2.050 -4.685
214 H MET 29 HN MET 29 5.562 2.118 -3.353
215 HA MET 29 HA MET 29 7.438 2.007 -5.663
216 1HB MET 29 HB2 MET 29 5.096 3.815 -5.246
217 2HB MET 29 HB1 MET 29 6.552 4.526 -5.943
218 1HG MET 29 HG2 MET 29 5.666 1.917 -7.070
219 2HG MET 29 HG1 MET 29 4.676 3.326 -7.454
220 1HE MET 29 HE1 MET 29 8.822 2.202 -8.867
221 2HE MET 29 HE2 MET 29 7.582 1.249 -8.057
222 3HE MET 29 HE3 MET 29 8.570 2.370 -7.125
223 H ASN 30 HN ASN 30 9.333 3.225 -5.273
224 HA ASN 30 HA ASN 30 10.947 4.358 -3.966
225 1HB ASN 30 HB2 ASN 30 8.797 5.937 -4.239
226 2HB ASN 30 HB1 ASN 30 8.727 5.712 -2.491
227 1HD2 ASN 30 HD21 ASN 30 11.805 5.366 -2.528
228 2HD2 ASN 30 HD22 ASN 30 12.386 6.959 -2.620
229 H GLY 31 HN GLY 31 9.793 1.805 -2.978
230 1HA GLY 31 HA2 GLY 31 9.890 0.494 -1.035
231 2HA GLY 31 HA1 GLY 31 10.951 1.739 -0.374
232 H LYS 32 HN LYS 32 7.632 2.279 -1.460
233 HA LYS 32 HA LYS 32 6.747 2.530 1.381
234 1HB LYS 32 HB2 LYS 32 6.666 4.630 -0.806
235 2HB LYS 32 HB1 LYS 32 5.746 4.762 0.692
236 1HG LYS 32 HG2 LYS 32 7.695 4.906 2.019
237 2HG LYS 32 HG1 LYS 32 8.720 4.264 0.735
238 1HD LYS 32 HD2 LYS 32 9.076 6.322 -0.104
239 2HD LYS 32 HD1 LYS 32 7.345 6.654 -0.159
240 1HE LYS 32 HE2 LYS 32 7.404 7.852 1.780
241 2HE LYS 32 HE1 LYS 32 8.481 6.681 2.567
242 1HZ LYS 32 HZ1 LYS 32 10.285 7.510 1.116
243 2HZ LYS 32 HZ2 LYS 32 9.702 8.695 2.186
244 3HZ LYS 32 HZ3 LYS 32 9.246 8.725 0.550
245 H CYS 33 HN CYS 33 4.367 2.551 1.557
246 HA CYS 33 HA CYS 33 3.098 0.989 -0.625
247 1HB CYS 33 HB2 CYS 33 3.127 0.544 1.960
248 2HB CYS 33 HB1 CYS 33 1.846 1.751 2.006
249 H LYS 34 HN LYS 34 1.861 2.057 -2.112
250 HA LYS 34 HA LYS 34 0.898 4.806 -1.489
251 1HB LYS 34 HB2 LYS 34 1.180 3.163 -4.023
252 2HB LYS 34 HB1 LYS 34 0.532 4.803 -3.990
253 1HG LYS 34 HG2 LYS 34 2.952 4.849 -2.507
254 2HG LYS 34 HG1 LYS 34 3.283 3.967 -3.998
255 1HD LYS 34 HD2 LYS 34 1.652 6.430 -4.284
256 2HD LYS 34 HD1 LYS 34 3.342 6.670 -3.843
257 1HE LYS 34 HE2 LYS 34 4.134 5.743 -5.836
258 2HE LYS 34 HE1 LYS 34 2.668 4.773 -6.081
259 1HZ LYS 34 HZ1 LYS 34 2.981 7.706 -6.372
260 2HZ LYS 34 HZ2 LYS 34 1.458 6.963 -6.234
261 3HZ LYS 34 HZ3 LYS 34 2.473 6.592 -7.546
262 H CYS 35 HN CYS 35 -0.991 4.321 -0.232
263 HA CYS 35 HA CYS 35 -2.995 2.422 -1.244
264 1HB CYS 35 HB2 CYS 35 -2.620 4.240 1.122
265 2HB CYS 35 HB1 CYS 35 -4.206 3.532 0.811
266 H TYR 36 HN TYR 36 -5.035 3.002 -2.080
267 HA TYR 36 HA TYR 36 -5.529 5.906 -2.613
268 1HB TYR 36 HB2 TYR 36 -5.004 3.670 -4.463
269 2HB TYR 36 HB1 TYR 36 -6.431 4.621 -4.876
270 HD1 TYR 36 HD1 TYR 36 -2.846 5.046 -3.852
271 HD2 TYR 36 HD2 TYR 36 -6.180 6.621 -6.054
272 HE1 TYR 36 HE1 TYR 36 -1.397 6.841 -4.764
273 HE2 TYR 36 HE2 TYR 36 -4.733 8.415 -6.966
274 HH TYR 36 HH TYR 36 -2.636 9.576 -6.344
275 HA PRO 37 HA PRO 37 -9.245 3.958 -0.710
276 1HB PRO 37 HB2 PRO 37 -10.042 6.648 -0.072
277 2HB PRO 37 HB1 PRO 37 -9.484 5.388 1.032
278 1HG PRO 37 HG2 PRO 37 -8.082 7.754 0.208
279 2HG PRO 37 HG1 PRO 37 -7.528 6.492 1.312
280 1HD PRO 37 HD2 PRO 37 -6.611 7.019 -1.370
281 2HD PRO 37 HD1 PRO 37 -6.068 5.732 -0.264
Start of MODEL 9
1 1H VAL 1 HT1 VAL 1 -2.566 9.047 0.958
2 2H VAL 1 HT2 VAL 1 -1.056 9.716 1.357
3 3H VAL 1 HT3 VAL 1 -2.484 10.433 1.933
4 HA VAL 1 HA VAL 1 -1.579 9.231 3.756
5 HB VAL 1 HB VAL 1 -4.030 9.141 3.235
6 1HG1 VAL 1 HG11 VAL 1 -3.063 7.078 1.423
7 2HG1 VAL 1 HG12 VAL 1 -4.629 7.888 1.455
8 3HG1 VAL 1 HG13 VAL 1 -4.349 6.468 2.464
9 1HG2 VAL 1 HG21 VAL 1 -2.485 7.270 4.848
10 2HG2 VAL 1 HG22 VAL 1 -4.032 6.577 4.361
11 3HG2 VAL 1 HG23 VAL 1 -3.987 8.104 5.244
12 H PHE 2 HN PHE 2 0.400 8.538 1.957
13 HA PHE 2 HA PHE 2 0.387 5.602 1.593
14 1HB PHE 2 HB2 PHE 2 2.392 7.793 0.963
15 2HB PHE 2 HB1 PHE 2 2.548 6.114 0.454
16 HD1 PHE 2 HD1 PHE 2 -0.871 6.662 0.446
17 HD2 PHE 2 HD2 PHE 2 2.652 7.772 -1.753
18 HE1 PHE 2 HE1 PHE 2 -2.264 7.133 -1.549
19 HE2 PHE 2 HE2 PHE 2 1.255 8.239 -3.745
20 HZ PHE 2 HZ PHE 2 -1.201 7.922 -3.644
21 H ILE 3 HN ILE 3 2.028 4.238 2.564
22 HA ILE 3 HA ILE 3 3.153 5.363 5.109
23 HB ILE 3 HB ILE 3 2.937 3.079 5.951
24 1HG1 ILE 3 HG12 ILE 3 1.994 2.420 3.141
25 2HG1 ILE 3 HG11 ILE 3 3.526 1.915 3.855
26 1HG2 ILE 3 HG21 ILE 3 0.874 3.970 6.367
27 2HG2 ILE 3 HG22 ILE 3 0.355 2.803 5.151
28 3HG2 ILE 3 HG23 ILE 3 0.646 4.483 4.695
29 1HD1 ILE 3 HD11 ILE 3 2.355 0.049 4.441
30 2HD1 ILE 3 HD12 ILE 3 0.797 0.866 4.310
31 3HD1 ILE 3 HD13 ILE 3 1.776 1.062 5.763
32 H ASN 4 HN ASN 4 5.331 4.766 5.649
33 HA ASN 4 HA ASN 4 7.120 4.454 3.380
34 1HB ASN 4 HB2 ASN 4 8.815 4.464 5.257
35 2HB ASN 4 HB1 ASN 4 7.697 5.828 5.289
36 1HD2 ASN 4 HD21 ASN 4 8.210 2.578 6.734
37 2HD2 ASN 4 HD22 ASN 4 7.382 2.922 8.176
38 H ALA 5 HN ALA 5 5.278 2.193 5.001
39 HA ALA 5 HA ALA 5 6.816 0.013 5.704
40 1HB ALA 5 HB1 ALA 5 4.920 -1.324 4.648
41 2HB ALA 5 HB2 ALA 5 4.316 0.202 4.002
42 3HB ALA 5 HB3 ALA 5 4.411 -0.042 5.747
43 H LYS 6 HN LYS 6 8.583 -0.842 4.677
44 HA LYS 6 HA LYS 6 9.250 -0.413 1.927
45 1HB LYS 6 HB2 LYS 6 10.577 -1.148 4.092
46 2HB LYS 6 HB1 LYS 6 10.222 -2.770 3.495
47 1HG LYS 6 HG2 LYS 6 11.053 -1.562 1.200
48 2HG LYS 6 HG1 LYS 6 12.037 -0.711 2.390
49 1HD LYS 6 HD2 LYS 6 11.830 -3.726 2.122
50 2HD LYS 6 HD1 LYS 6 13.185 -2.743 1.569
51 1HE LYS 6 HE2 LYS 6 12.263 -2.658 4.450
52 2HE LYS 6 HE1 LYS 6 13.454 -3.846 3.883
53 1HZ LYS 6 HZ1 LYS 6 13.634 -0.898 3.850
54 2HZ LYS 6 HZ2 LYS 6 14.559 -1.837 2.778
55 3HZ LYS 6 HZ3 LYS 6 14.753 -2.020 4.455
56 H CYS 7 HN CYS 7 6.920 -1.122 1.213
57 HA CYS 7 HA CYS 7 5.961 -3.749 1.187
58 1HB CYS 7 HB2 CYS 7 5.071 -3.039 -1.125
59 2HB CYS 7 HB1 CYS 7 4.673 -1.986 0.230
60 H ARG 8 HN ARG 8 6.211 -5.491 -0.405
61 HA ARG 8 HA ARG 8 8.985 -5.941 -1.170
62 1HB ARG 8 HB2 ARG 8 6.365 -7.409 -1.550
63 2HB ARG 8 HB1 ARG 8 7.903 -8.054 -2.123
64 1HG ARG 8 HG2 ARG 8 7.818 -7.100 0.696
65 2HG ARG 8 HG1 ARG 8 6.948 -8.591 0.336
66 1HD ARG 8 HD2 ARG 8 9.614 -8.489 -0.909
67 2HD ARG 8 HD1 ARG 8 9.656 -8.456 0.866
68 HE ARG 8 HE ARG 8 7.734 -10.392 0.159
69 1HH1 ARG 8 HH11 ARG 8 10.626 -10.086 -1.475
70 2HH1 ARG 8 HH12 ARG 8 11.265 -11.628 -1.014
71 1HH2 ARG 8 HH21 ARG 8 8.759 -12.276 1.293
72 2HH2 ARG 8 HH22 ARG 8 10.214 -12.862 0.559
73 H GLY 9 HN GLY 9 6.264 -4.488 -2.719
74 1HA GLY 9 HA2 GLY 9 7.429 -3.402 -4.906
75 2HA GLY 9 HA1 GLY 9 7.235 -5.072 -5.439
76 H SER 10 HN SER 10 4.706 -5.249 -3.741
77 HA SER 10 HA SER 10 2.743 -3.386 -4.527
78 1HB SER 10 HB2 SER 10 3.801 -5.059 -6.669
79 2HB SER 10 HB1 SER 10 2.055 -5.234 -6.507
80 HG SER 10 HG SER 10 1.838 -3.293 -7.273
81 HA PRO 11 HA PRO 11 0.536 -7.685 -3.919
82 1HB PRO 11 HB2 PRO 11 2.586 -9.548 -3.135
83 2HB PRO 11 HB1 PRO 11 1.525 -9.622 -4.546
84 1HG PRO 11 HG2 PRO 11 4.339 -9.007 -4.468
85 2HG PRO 11 HG1 PRO 11 3.287 -9.138 -5.881
86 1HD PRO 11 HD2 PRO 11 4.427 -6.758 -4.780
87 2HD PRO 11 HD1 PRO 11 3.278 -6.875 -6.133
88 H GLU 12 HN GLU 12 3.149 -6.306 -2.148
89 HA GLU 12 HA GLU 12 2.181 -7.388 0.450
90 1HB GLU 12 HB2 GLU 12 4.668 -6.614 -0.686
91 2HB GLU 12 HB1 GLU 12 4.333 -5.478 0.622
92 1HG GLU 12 HG2 GLU 12 4.139 -8.489 0.911
93 2HG GLU 12 HG1 GLU 12 5.558 -7.545 1.370
94 H CYS 13 HN CYS 13 2.304 -4.432 -1.456
95 HA CYS 13 HA CYS 13 1.495 -2.643 0.690
96 1HB CYS 13 HB2 CYS 13 2.670 -1.720 -1.157
97 2HB CYS 13 HB1 CYS 13 1.653 -2.557 -2.327
98 H LEU 14 HN LEU 14 -0.187 -4.551 -1.786
99 HA LEU 14 HA LEU 14 -2.763 -3.369 -1.576
100 1HB LEU 14 HB2 LEU 14 -1.487 -5.763 -2.638
101 2HB LEU 14 HB1 LEU 14 -3.108 -6.109 -2.037
102 HG LEU 14 HG LEU 14 -3.308 -5.434 -4.350
103 1HD1 LEU 14 HD11 LEU 14 -5.136 -4.223 -3.849
104 2HD1 LEU 14 HD12 LEU 14 -4.141 -2.842 -3.382
105 3HD1 LEU 14 HD13 LEU 14 -4.535 -4.087 -2.196
106 1HD2 LEU 14 HD21 LEU 14 -1.707 -3.004 -3.484
107 2HD2 LEU 14 HD22 LEU 14 -2.477 -3.180 -5.062
108 3HD2 LEU 14 HD23 LEU 14 -1.172 -4.270 -4.590
109 HA PRO 15 HA PRO 15 -3.762 -6.758 1.767
110 1HB PRO 15 HB2 PRO 15 -1.240 -7.544 2.911
111 2HB PRO 15 HB1 PRO 15 -2.410 -8.559 2.062
112 1HG PRO 15 HG2 PRO 15 0.158 -7.644 1.127
113 2HG PRO 15 HG1 PRO 15 -0.986 -8.710 0.310
114 1HD PRO 15 HD2 PRO 15 -0.349 -6.005 -0.371
115 2HD PRO 15 HD1 PRO 15 -1.588 -7.043 -1.115
116 H LYS 16 HN LYS 16 -0.627 -5.123 2.365
117 HA LYS 16 HA LYS 16 -1.051 -4.270 5.018
118 1HB LYS 16 HB2 LYS 16 0.461 -3.298 2.615
119 2HB LYS 16 HB1 LYS 16 0.403 -2.259 4.039
120 1HG LYS 16 HG2 LYS 16 0.929 -4.911 4.938
121 2HG LYS 16 HG1 LYS 16 2.029 -4.576 3.601
122 1HD LYS 16 HD2 LYS 16 3.002 -2.742 4.687
123 2HD LYS 16 HD1 LYS 16 1.620 -2.524 5.762
124 1HE LYS 16 HE2 LYS 16 3.380 -4.991 5.870
125 2HE LYS 16 HE1 LYS 16 3.675 -3.552 6.866
126 1HZ LYS 16 HZ1 LYS 16 1.247 -5.253 6.798
127 2HZ LYS 16 HZ2 LYS 16 1.253 -3.700 7.488
128 3HZ LYS 16 HZ3 LYS 16 2.247 -4.921 8.128
129 H CYS 17 HN CYS 17 -2.226 -2.930 1.963
130 HA CYS 17 HA CYS 17 -3.300 -0.473 3.026
131 1HB CYS 17 HB2 CYS 17 -2.774 -1.301 0.597
132 2HB CYS 17 HB1 CYS 17 -4.395 -1.993 0.662
133 H LYS 18 HN LYS 18 -4.710 -3.688 2.382
134 HA LYS 18 HA LYS 18 -7.403 -3.174 3.051
135 1HB LYS 18 HB2 LYS 18 -6.482 -5.254 2.072
136 2HB LYS 18 HB1 LYS 18 -5.674 -5.612 3.599
137 1HG LYS 18 HG2 LYS 18 -7.584 -6.358 4.569
138 2HG LYS 18 HG1 LYS 18 -8.550 -5.053 3.877
139 1HD LYS 18 HD2 LYS 18 -7.732 -6.713 1.720
140 2HD LYS 18 HD1 LYS 18 -8.337 -7.776 2.991
141 1HE LYS 18 HE2 LYS 18 -10.035 -5.423 2.686
142 2HE LYS 18 HE1 LYS 18 -9.914 -6.349 1.176
143 1HZ LYS 18 HZ1 LYS 18 -11.588 -7.088 3.012
144 2HZ LYS 18 HZ2 LYS 18 -10.212 -7.784 3.725
145 3HZ LYS 18 HZ3 LYS 18 -10.692 -8.251 2.164
146 H GLU 19 HN GLU 19 -4.587 -3.690 5.118
147 HA GLU 19 HA GLU 19 -6.225 -3.724 7.582
148 1HB GLU 19 HB2 GLU 19 -3.328 -4.036 6.815
149 2HB GLU 19 HB1 GLU 19 -3.765 -3.777 8.503
150 1HG GLU 19 HG2 GLU 19 -5.542 -5.744 7.473
151 2HG GLU 19 HG1 GLU 19 -3.913 -6.203 6.975
152 H ALA 20 HN ALA 20 -4.603 -1.434 5.577
153 HA ALA 20 HA ALA 20 -4.081 0.534 7.689
154 1HB ALA 20 HB1 ALA 20 -4.213 1.217 4.782
155 2HB ALA 20 HB2 ALA 20 -3.007 0.032 5.286
156 3HB ALA 20 HB3 ALA 20 -2.994 1.654 5.980
157 H ILE 21 HN ILE 21 -6.359 0.328 4.916
158 HA ILE 21 HA ILE 21 -8.163 2.201 6.418
159 HB ILE 21 HB ILE 21 -8.768 2.962 4.026
160 1HG1 ILE 21 HG12 ILE 21 -6.108 1.620 3.452
161 2HG1 ILE 21 HG11 ILE 21 -7.670 0.977 2.945
162 1HG2 ILE 21 HG21 ILE 21 -6.563 3.632 5.764
163 2HG2 ILE 21 HG22 ILE 21 -7.524 4.697 4.737
164 3HG2 ILE 21 HG23 ILE 21 -6.098 3.892 4.082
165 1HD1 ILE 21 HD11 ILE 21 -8.085 3.189 1.779
166 2HD1 ILE 21 HD12 ILE 21 -6.791 2.218 1.082
167 3HD1 ILE 21 HD13 ILE 21 -6.403 3.596 2.110
168 H GLY 22 HN GLY 22 -7.819 -0.847 4.935
169 1HA GLY 22 HA2 GLY 22 -9.436 -2.587 4.874
170 2HA GLY 22 HA1 GLY 22 -10.672 -1.413 5.331
171 H LYS 23 HN LYS 23 -8.447 -0.929 2.649
172 HA LYS 23 HA LYS 23 -10.606 -1.575 0.697
173 1HB LYS 23 HB2 LYS 23 -9.854 1.028 1.644
174 2HB LYS 23 HB1 LYS 23 -9.386 0.895 -0.051
175 1HG LYS 23 HG2 LYS 23 -11.933 -0.298 0.123
176 2HG LYS 23 HG1 LYS 23 -12.033 1.178 1.085
177 1HD LYS 23 HD2 LYS 23 -10.943 2.387 -0.867
178 2HD LYS 23 HD1 LYS 23 -11.193 0.918 -1.811
179 1HE LYS 23 HE2 LYS 23 -13.634 1.046 -1.343
180 2HE LYS 23 HE1 LYS 23 -13.365 2.563 -0.460
181 1HZ LYS 23 HZ1 LYS 23 -13.830 3.222 -2.648
182 2HZ LYS 23 HZ2 LYS 23 -12.867 1.996 -3.324
183 3HZ LYS 23 HZ3 LYS 23 -12.140 3.311 -2.531
184 H ALA 24 HN ALA 24 -9.424 -3.155 -0.389
185 HA ALA 24 HA ALA 24 -6.593 -3.075 -0.860
186 1HB ALA 24 HB1 ALA 24 -8.525 -4.485 -2.674
187 2HB ALA 24 HB2 ALA 24 -8.457 -4.957 -0.976
188 3HB ALA 24 HB3 ALA 24 -7.014 -5.075 -1.982
189 H ALA 25 HN ALA 25 -6.904 -0.605 -1.575
190 HA ALA 25 HA ALA 25 -6.957 -0.600 -4.569
191 1HB ALA 25 HB1 ALA 25 -7.889 1.830 -3.165
192 2HB ALA 25 HB2 ALA 25 -8.925 0.419 -2.953
193 3HB ALA 25 HB3 ALA 25 -8.572 1.019 -4.574
194 H GLY 26 HN GLY 26 -4.597 -0.600 -4.481
195 1HA GLY 26 HA2 GLY 26 -3.389 1.967 -4.497
196 2HA GLY 26 HA1 GLY 26 -3.067 1.236 -2.925
197 H LYS 27 HN LYS 27 -0.795 1.557 -4.054
198 HA LYS 27 HA LYS 27 0.001 -1.127 -5.039
199 1HB LYS 27 HB2 LYS 27 0.671 1.421 -6.543
200 2HB LYS 27 HB1 LYS 27 1.002 -0.234 -7.052
201 1HG LYS 27 HG2 LYS 27 -1.494 -0.649 -7.020
202 2HG LYS 27 HG1 LYS 27 -1.709 1.086 -6.773
203 1HD LYS 27 HD2 LYS 27 0.002 1.114 -8.880
204 2HD LYS 27 HD1 LYS 27 -0.866 -0.386 -9.205
205 1HE LYS 27 HE2 LYS 27 -2.024 1.505 -10.285
206 2HE LYS 27 HE1 LYS 27 -3.030 0.866 -8.970
207 1HZ LYS 27 HZ1 LYS 27 -2.506 3.403 -9.079
208 2HZ LYS 27 HZ2 LYS 27 -1.033 2.937 -8.373
209 3HZ LYS 27 HZ3 LYS 27 -2.500 2.599 -7.586
210 H CYS 28 HN CYS 28 2.550 -1.040 -5.376
211 HA CYS 28 HA CYS 28 3.687 0.488 -3.061
212 1HB CYS 28 HB2 CYS 28 3.861 -1.823 -2.628
213 2HB CYS 28 HB1 CYS 28 4.189 -2.205 -4.315
214 H MET 29 HN MET 29 5.474 1.801 -3.438
215 HA MET 29 HA MET 29 6.933 1.600 -6.008
216 1HB MET 29 HB2 MET 29 6.358 3.824 -6.688
217 2HB MET 29 HB1 MET 29 4.838 3.063 -6.217
218 1HG MET 29 HG2 MET 29 4.597 4.961 -4.967
219 2HG MET 29 HG1 MET 29 5.612 4.080 -3.826
220 1HE MET 29 HE1 MET 29 5.299 6.413 -6.694
221 2HE MET 29 HE2 MET 29 6.753 5.688 -7.373
222 3HE MET 29 HE3 MET 29 6.796 7.349 -6.789
223 H ASN 30 HN ASN 30 9.083 2.031 -5.634
224 HA ASN 30 HA ASN 30 11.041 2.730 -4.514
225 1HB ASN 30 HB2 ASN 30 9.335 4.850 -4.793
226 2HB ASN 30 HB1 ASN 30 9.584 4.844 -3.046
227 1HD2 ASN 30 HD21 ASN 30 11.278 6.224 -2.508
228 2HD2 ASN 30 HD22 ASN 30 12.704 6.417 -3.407
229 H GLY 31 HN GLY 31 9.521 0.657 -3.222
230 1HA GLY 31 HA2 GLY 31 9.506 -0.456 -1.156
231 2HA GLY 31 HA1 GLY 31 10.666 0.747 -0.593
232 H LYS 32 HN LYS 32 7.506 1.636 -1.846
233 HA LYS 32 HA LYS 32 6.555 2.174 0.941
234 1HB LYS 32 HB2 LYS 32 6.406 4.111 -1.391
235 2HB LYS 32 HB1 LYS 32 6.010 4.445 0.296
236 1HG LYS 32 HG2 LYS 32 8.547 3.554 0.594
237 2HG LYS 32 HG1 LYS 32 8.665 4.255 -1.020
238 1HD LYS 32 HD2 LYS 32 7.374 5.780 1.237
239 2HD LYS 32 HD1 LYS 32 9.123 5.806 1.007
240 1HE LYS 32 HE2 LYS 32 8.785 7.465 -0.506
241 2HE LYS 32 HE1 LYS 32 8.051 6.240 -1.561
242 1HZ LYS 32 HZ1 LYS 32 6.283 7.645 -1.269
243 2HZ LYS 32 HZ2 LYS 32 6.753 8.109 0.296
244 3HZ LYS 32 HZ3 LYS 32 6.033 6.592 0.036
245 H CYS 33 HN CYS 33 4.192 2.325 1.066
246 HA CYS 33 HA CYS 33 2.846 0.977 -1.250
247 1HB CYS 33 HB2 CYS 33 2.867 -0.316 0.787
248 2HB CYS 33 HB1 CYS 33 2.311 1.064 1.732
249 H LYS 34 HN LYS 34 1.285 2.113 -2.318
250 HA LYS 34 HA LYS 34 0.403 4.739 -1.201
251 1HB LYS 34 HB2 LYS 34 -0.140 3.643 -3.962
252 2HB LYS 34 HB1 LYS 34 0.008 5.326 -3.462
253 1HG LYS 34 HG2 LYS 34 2.388 5.110 -3.163
254 2HG LYS 34 HG1 LYS 34 2.313 3.360 -3.369
255 1HD LYS 34 HD2 LYS 34 2.991 4.044 -5.492
256 2HD LYS 34 HD1 LYS 34 1.241 3.959 -5.692
257 1HE LYS 34 HE2 LYS 34 1.489 6.514 -4.777
258 2HE LYS 34 HE1 LYS 34 3.018 6.336 -5.661
259 1HZ LYS 34 HZ1 LYS 34 1.963 6.150 -7.615
260 2HZ LYS 34 HZ2 LYS 34 0.637 6.852 -6.822
261 3HZ LYS 34 HZ3 LYS 34 0.736 5.165 -6.987
262 H CYS 35 HN CYS 35 -1.828 5.156 -0.883
263 HA CYS 35 HA CYS 35 -3.796 3.049 -1.603
264 1HB CYS 35 HB2 CYS 35 -2.958 3.916 1.161
265 2HB CYS 35 HB1 CYS 35 -4.563 3.242 0.877
266 H TYR 36 HN TYR 36 -5.874 3.912 -1.903
267 HA TYR 36 HA TYR 36 -6.088 6.859 -1.905
268 1HB TYR 36 HB2 TYR 36 -7.885 4.593 -2.819
269 2HB TYR 36 HB1 TYR 36 -8.238 6.301 -3.080
270 HD1 TYR 36 HD1 TYR 36 -6.372 3.422 -4.224
271 HD2 TYR 36 HD2 TYR 36 -6.596 7.708 -4.412
272 HE1 TYR 36 HE1 TYR 36 -4.934 3.409 -6.243
273 HE2 TYR 36 HE2 TYR 36 -5.158 7.694 -6.431
274 HH TYR 36 HH TYR 36 -4.654 5.917 -8.318
275 HA PRO 37 HA PRO 37 -8.035 6.708 2.148
276 1HB PRO 37 HB2 PRO 37 -8.977 9.392 1.726
277 2HB PRO 37 HB1 PRO 37 -7.622 8.860 2.725
278 1HG PRO 37 HG2 PRO 37 -7.520 10.262 0.222
279 2HG PRO 37 HG1 PRO 37 -6.169 9.733 1.228
280 1HD PRO 37 HD2 PRO 37 -7.012 8.649 -1.306
281 2HD PRO 37 HD1 PRO 37 -5.663 8.103 -0.280
Start of MODEL 10
1 1H VAL 1 HT1 VAL 1 -0.691 10.106 1.834
2 2H VAL 1 HT2 VAL 1 -2.180 10.811 2.243
3 3H VAL 1 HT3 VAL 1 -2.119 9.540 1.118
4 HA VAL 1 HA VAL 1 -1.584 9.378 4.039
5 HB VAL 1 HB VAL 1 -3.930 9.505 3.246
6 1HG1 VAL 1 HG11 VAL 1 -4.588 7.302 1.917
7 2HG1 VAL 1 HG12 VAL 1 -2.908 7.389 1.390
8 3HG1 VAL 1 HG13 VAL 1 -4.004 8.730 1.061
9 1HG2 VAL 1 HG21 VAL 1 -2.752 7.449 4.813
10 2HG2 VAL 1 HG22 VAL 1 -4.002 6.685 3.833
11 3HG2 VAL 1 HG23 VAL 1 -4.412 8.038 4.889
12 H PHE 2 HN PHE 2 0.592 8.752 2.417
13 HA PHE 2 HA PHE 2 0.487 5.844 1.827
14 1HB PHE 2 HB2 PHE 2 2.639 7.964 1.517
15 2HB PHE 2 HB1 PHE 2 2.745 6.318 0.897
16 HD1 PHE 2 HD1 PHE 2 -0.482 6.498 0.388
17 HD2 PHE 2 HD2 PHE 2 2.986 8.694 -0.887
18 HE1 PHE 2 HE1 PHE 2 -1.676 7.192 -1.670
19 HE2 PHE 2 HE2 PHE 2 1.790 9.387 -2.943
20 HZ PHE 2 HZ PHE 2 -0.541 8.638 -3.336
21 H ILE 3 HN ILE 3 2.752 4.758 2.530
22 HA ILE 3 HA ILE 3 3.350 5.517 5.363
23 HB ILE 3 HB ILE 3 3.397 2.644 4.945
24 1HG1 ILE 3 HG12 ILE 3 0.679 3.948 4.577
25 2HG1 ILE 3 HG11 ILE 3 1.608 3.244 3.253
26 1HG2 ILE 3 HG21 ILE 3 2.790 4.547 6.939
27 2HG2 ILE 3 HG22 ILE 3 2.845 2.793 7.116
28 3HG2 ILE 3 HG23 ILE 3 1.325 3.591 6.712
29 1HD1 ILE 3 HD11 ILE 3 -0.157 1.887 4.959
30 2HD1 ILE 3 HD12 ILE 3 1.453 1.412 5.502
31 3HD1 ILE 3 HD13 ILE 3 0.978 1.157 3.823
32 H ASN 4 HN ASN 4 5.481 5.005 6.025
33 HA ASN 4 HA ASN 4 7.474 4.886 3.911
34 1HB ASN 4 HB2 ASN 4 9.000 4.827 5.944
35 2HB ASN 4 HB1 ASN 4 7.862 6.173 5.917
36 1HD2 ASN 4 HD21 ASN 4 8.644 3.125 7.526
37 2HD2 ASN 4 HD22 ASN 4 7.529 3.301 8.794
38 H ALA 5 HN ALA 5 5.676 2.503 5.549
39 HA ALA 5 HA ALA 5 7.346 0.357 6.062
40 1HB ALA 5 HB1 ALA 5 5.258 -0.800 4.685
41 2HB ALA 5 HB2 ALA 5 4.602 0.793 5.067
42 3HB ALA 5 HB3 ALA 5 5.170 -0.261 6.362
43 H LYS 6 HN LYS 6 9.104 -0.221 4.814
44 HA LYS 6 HA LYS 6 9.412 0.236 2.024
45 1HB LYS 6 HB2 LYS 6 11.097 -0.358 3.880
46 2HB LYS 6 HB1 LYS 6 10.645 -2.036 3.581
47 1HG LYS 6 HG2 LYS 6 11.097 -1.386 1.061
48 2HG LYS 6 HG1 LYS 6 12.083 -0.113 1.784
49 1HD LYS 6 HD2 LYS 6 13.654 -1.581 2.546
50 2HD LYS 6 HD1 LYS 6 12.455 -2.810 2.948
51 1HE LYS 6 HE2 LYS 6 13.974 -3.472 1.040
52 2HE LYS 6 HE1 LYS 6 12.258 -3.444 0.588
53 1HZ LYS 6 HZ1 LYS 6 13.918 -2.175 -0.890
54 2HZ LYS 6 HZ2 LYS 6 13.920 -1.016 0.354
55 3HZ LYS 6 HZ3 LYS 6 12.474 -1.399 -0.452
56 H CYS 7 HN CYS 7 7.574 -0.515 0.874
57 HA CYS 7 HA CYS 7 6.504 -3.193 1.136
58 1HB CYS 7 HB2 CYS 7 5.195 -2.527 -0.801
59 2HB CYS 7 HB1 CYS 7 5.344 -1.128 0.261
60 H ARG 8 HN ARG 8 6.815 -4.963 -0.366
61 HA ARG 8 HA ARG 8 9.327 -4.747 -1.995
62 1HB ARG 8 HB2 ARG 8 8.257 -7.221 -0.619
63 2HB ARG 8 HB1 ARG 8 9.885 -6.945 -1.238
64 1HG ARG 8 HG2 ARG 8 9.825 -4.910 0.466
65 2HG ARG 8 HG1 ARG 8 8.606 -5.907 1.262
66 1HD ARG 8 HD2 ARG 8 10.187 -7.328 2.058
67 2HD ARG 8 HD1 ARG 8 10.934 -7.486 0.456
68 HE ARG 8 HE ARG 8 11.410 -5.044 2.116
69 1HH1 ARG 8 HH11 ARG 8 12.383 -6.844 -0.540
70 2HH1 ARG 8 HH12 ARG 8 14.078 -6.776 -0.189
71 1HH2 ARG 8 HH21 ARG 8 13.645 -5.347 2.940
72 2HH2 ARG 8 HH22 ARG 8 14.792 -5.933 1.781
73 H GLY 9 HN GLY 9 5.978 -5.339 -2.083
74 1HA GLY 9 HA2 GLY 9 6.186 -6.226 -4.879
75 2HA GLY 9 HA1 GLY 9 5.433 -7.388 -3.788
76 H SER 10 HN SER 10 4.482 -5.447 -6.048
77 HA SER 10 HA SER 10 2.692 -3.517 -5.069
78 1HB SER 10 HB2 SER 10 1.522 -4.983 -7.247
79 2HB SER 10 HB1 SER 10 2.333 -3.422 -7.292
80 HG SER 10 HG SER 10 3.280 -5.222 -8.555
81 HA PRO 11 HA PRO 11 -0.675 -7.021 -4.821
82 1HB PRO 11 HB2 PRO 11 0.734 -9.483 -4.333
83 2HB PRO 11 HB1 PRO 11 -0.309 -9.076 -5.700
84 1HG PRO 11 HG2 PRO 11 2.539 -9.371 -5.701
85 2HG PRO 11 HG1 PRO 11 1.498 -8.921 -7.055
86 1HD PRO 11 HD2 PRO 11 3.332 -7.248 -5.581
87 2HD PRO 11 HD1 PRO 11 2.319 -6.795 -6.975
88 H GLU 12 HN GLU 12 2.268 -6.757 -3.025
89 HA GLU 12 HA GLU 12 1.215 -7.911 -0.536
90 1HB GLU 12 HB2 GLU 12 3.606 -7.973 -1.216
91 2HB GLU 12 HB1 GLU 12 3.657 -6.211 -1.150
92 1HG GLU 12 HG2 GLU 12 3.512 -6.154 1.170
93 2HG GLU 12 HG1 GLU 12 2.703 -7.720 1.260
94 H CYS 13 HN CYS 13 1.797 -4.667 -1.889
95 HA CYS 13 HA CYS 13 1.067 -3.188 0.469
96 1HB CYS 13 HB2 CYS 13 1.741 -2.762 -2.334
97 2HB CYS 13 HB1 CYS 13 0.475 -1.654 -1.804
98 H LEU 14 HN LEU 14 -0.798 -4.867 -1.944
99 HA LEU 14 HA LEU 14 -3.241 -3.386 -1.784
100 1HB LEU 14 HB2 LEU 14 -2.220 -5.936 -2.795
101 2HB LEU 14 HB1 LEU 14 -3.890 -6.056 -2.247
102 HG LEU 14 HG LEU 14 -4.294 -3.892 -3.600
103 1HD1 LEU 14 HD11 LEU 14 -1.883 -4.819 -5.151
104 2HD1 LEU 14 HD12 LEU 14 -1.707 -3.643 -3.848
105 3HD1 LEU 14 HD13 LEU 14 -2.727 -3.273 -5.239
106 1HD2 LEU 14 HD21 LEU 14 -5.051 -6.198 -4.245
107 2HD2 LEU 14 HD22 LEU 14 -3.538 -6.405 -5.126
108 3HD2 LEU 14 HD23 LEU 14 -4.692 -5.171 -5.633
109 HA PRO 15 HA PRO 15 -4.573 -6.608 1.617
110 1HB PRO 15 HB2 PRO 15 -2.155 -7.739 2.684
111 2HB PRO 15 HB1 PRO 15 -3.468 -8.579 1.857
112 1HG PRO 15 HG2 PRO 15 -0.821 -7.991 0.869
113 2HG PRO 15 HG1 PRO 15 -2.105 -8.913 0.081
114 1HD PRO 15 HD2 PRO 15 -1.158 -6.312 -0.639
115 2HD PRO 15 HD1 PRO 15 -2.548 -7.185 -1.327
116 H LYS 16 HN LYS 16 -1.432 -4.979 1.789
117 HA LYS 16 HA LYS 16 -1.413 -4.344 4.580
118 1HB LYS 16 HB2 LYS 16 -0.134 -3.402 2.050
119 2HB LYS 16 HB1 LYS 16 0.014 -2.361 3.466
120 1HG LYS 16 HG2 LYS 16 0.654 -5.314 3.558
121 2HG LYS 16 HG1 LYS 16 1.865 -4.096 3.157
122 1HD LYS 16 HD2 LYS 16 1.020 -2.926 5.350
123 2HD LYS 16 HD1 LYS 16 0.412 -4.532 5.751
124 1HE LYS 16 HE2 LYS 16 2.498 -5.083 6.445
125 2HE LYS 16 HE1 LYS 16 3.060 -4.890 4.773
126 1HZ LYS 16 HZ1 LYS 16 3.699 -2.746 5.125
127 2HZ LYS 16 HZ2 LYS 16 3.963 -3.350 6.691
128 3HZ LYS 16 HZ3 LYS 16 2.551 -2.473 6.342
129 H CYS 17 HN CYS 17 -2.325 -2.290 1.785
130 HA CYS 17 HA CYS 17 -3.276 -0.062 3.252
131 1HB CYS 17 HB2 CYS 17 -4.224 -1.231 0.614
132 2HB CYS 17 HB1 CYS 17 -4.486 0.430 1.144
133 H LYS 18 HN LYS 18 -4.981 -3.028 2.239
134 HA LYS 18 HA LYS 18 -7.612 -2.298 3.028
135 1HB LYS 18 HB2 LYS 18 -7.092 -4.265 1.692
136 2HB LYS 18 HB1 LYS 18 -6.135 -4.948 3.007
137 1HG LYS 18 HG2 LYS 18 -8.504 -4.514 4.282
138 2HG LYS 18 HG1 LYS 18 -9.070 -4.877 2.652
139 1HD LYS 18 HD2 LYS 18 -7.752 -6.959 2.649
140 2HD LYS 18 HD1 LYS 18 -7.171 -6.596 4.275
141 1HE LYS 18 HE2 LYS 18 -9.932 -6.363 4.530
142 2HE LYS 18 HE1 LYS 18 -9.727 -7.759 3.452
143 1HZ LYS 18 HZ1 LYS 18 -8.448 -8.876 4.975
144 2HZ LYS 18 HZ2 LYS 18 -9.517 -8.065 6.019
145 3HZ LYS 18 HZ3 LYS 18 -7.947 -7.464 5.770
146 H GLU 19 HN GLU 19 -5.031 -3.930 4.896
147 HA GLU 19 HA GLU 19 -6.576 -4.105 7.338
148 1HB GLU 19 HB2 GLU 19 -3.632 -4.264 6.633
149 2HB GLU 19 HB1 GLU 19 -4.241 -4.573 8.260
150 1HG GLU 19 HG2 GLU 19 -5.712 -6.353 7.364
151 2HG GLU 19 HG1 GLU 19 -5.070 -6.058 5.747
152 H ALA 20 HN ALA 20 -4.853 -1.546 5.792
153 HA ALA 20 HA ALA 20 -4.402 -0.025 8.290
154 1HB ALA 20 HB1 ALA 20 -3.924 0.476 5.337
155 2HB ALA 20 HB2 ALA 20 -2.719 0.058 6.556
156 3HB ALA 20 HB3 ALA 20 -3.502 1.637 6.596
157 H ILE 21 HN ILE 21 -6.402 0.207 5.334
158 HA ILE 21 HA ILE 21 -8.079 2.258 6.745
159 HB ILE 21 HB ILE 21 -8.723 2.732 4.247
160 1HG1 ILE 21 HG12 ILE 21 -6.001 1.483 3.816
161 2HG1 ILE 21 HG11 ILE 21 -7.497 0.599 3.511
162 1HG2 ILE 21 HG21 ILE 21 -5.901 3.359 5.151
163 2HG2 ILE 21 HG22 ILE 21 -7.330 4.172 5.788
164 3HG2 ILE 21 HG23 ILE 21 -6.918 4.321 4.080
165 1HD1 ILE 21 HD11 ILE 21 -8.057 2.884 2.186
166 2HD1 ILE 21 HD12 ILE 21 -7.253 1.513 1.421
167 3HD1 ILE 21 HD13 ILE 21 -6.302 2.873 2.015
168 H GLY 22 HN GLY 22 -8.111 -0.693 4.774
169 1HA GLY 22 HA2 GLY 22 -9.973 -2.267 5.624
170 2HA GLY 22 HA1 GLY 22 -11.048 -0.912 5.278
171 H LYS 23 HN LYS 23 -9.023 -0.428 2.900
172 HA LYS 23 HA LYS 23 -10.242 -2.494 1.094
173 1HB LYS 23 HB2 LYS 23 -11.173 -0.084 1.112
174 2HB LYS 23 HB1 LYS 23 -9.649 0.374 0.349
175 1HG LYS 23 HG2 LYS 23 -10.416 -0.327 -1.643
176 2HG LYS 23 HG1 LYS 23 -10.670 -1.944 -0.988
177 1HD LYS 23 HD2 LYS 23 -12.784 -0.563 0.097
178 2HD LYS 23 HD1 LYS 23 -12.621 0.203 -1.483
179 1HE LYS 23 HE2 LYS 23 -12.316 -2.597 -1.898
180 2HE LYS 23 HE1 LYS 23 -13.751 -2.367 -0.879
181 1HZ LYS 23 HZ1 LYS 23 -14.578 -1.989 -2.994
182 2HZ LYS 23 HZ2 LYS 23 -13.162 -1.218 -3.532
183 3HZ LYS 23 HZ3 LYS 23 -14.219 -0.415 -2.471
184 H ALA 24 HN ALA 24 -8.872 -3.295 -0.536
185 HA ALA 24 HA ALA 24 -5.980 -2.775 -0.160
186 1HB ALA 24 HB1 ALA 24 -5.908 -4.970 -0.686
187 2HB ALA 24 HB2 ALA 24 -6.661 -4.647 -2.247
188 3HB ALA 24 HB3 ALA 24 -7.666 -4.955 -0.831
189 H ALA 25 HN ALA 25 -6.809 -0.477 -1.168
190 HA ALA 25 HA ALA 25 -6.467 -0.650 -4.143
191 1HB ALA 25 HB1 ALA 25 -7.456 1.847 -3.601
192 2HB ALA 25 HB2 ALA 25 -8.157 0.908 -2.283
193 3HB ALA 25 HB3 ALA 25 -8.463 0.445 -3.957
194 H GLY 26 HN GLY 26 -4.089 -0.671 -3.833
195 1HA GLY 26 HA2 GLY 26 -2.978 2.014 -3.819
196 2HA GLY 26 HA1 GLY 26 -2.524 1.098 -2.381
197 H LYS 27 HN LYS 27 -0.391 1.697 -3.768
198 HA LYS 27 HA LYS 27 0.301 -0.822 -5.227
199 1HB LYS 27 HB2 LYS 27 1.089 1.982 -6.073
200 2HB LYS 27 HB1 LYS 27 1.333 0.488 -6.978
201 1HG LYS 27 HG2 LYS 27 -0.614 1.061 -8.009
202 2HG LYS 27 HG1 LYS 27 -1.368 0.409 -6.553
203 1HD LYS 27 HD2 LYS 27 -1.845 2.495 -5.696
204 2HD LYS 27 HD1 LYS 27 -0.446 3.245 -6.465
205 1HE LYS 27 HE2 LYS 27 -2.675 2.203 -8.197
206 2HE LYS 27 HE1 LYS 27 -2.846 3.780 -7.401
207 1HZ LYS 27 HZ1 LYS 27 -0.482 4.188 -8.228
208 2HZ LYS 27 HZ2 LYS 27 -1.733 4.273 -9.375
209 3HZ LYS 27 HZ3 LYS 27 -0.750 2.891 -9.287
210 H CYS 28 HN CYS 28 2.830 -0.776 -5.576
211 HA CYS 28 HA CYS 28 4.115 0.278 -3.077
212 1HB CYS 28 HB2 CYS 28 3.960 -2.058 -2.804
213 2HB CYS 28 HB1 CYS 28 4.213 -2.368 -4.519
214 H MET 29 HN MET 29 5.494 1.910 -3.716
215 HA MET 29 HA MET 29 7.328 1.380 -6.009
216 1HB MET 29 HB2 MET 29 5.432 3.712 -5.633
217 2HB MET 29 HB1 MET 29 6.795 3.769 -6.751
218 1HG MET 29 HG2 MET 29 5.527 1.329 -7.294
219 2HG MET 29 HG1 MET 29 4.211 2.481 -7.077
220 1HE MET 29 HE1 MET 29 4.632 0.894 -9.275
221 2HE MET 29 HE2 MET 29 6.095 1.104 -10.234
222 3HE MET 29 HE3 MET 29 4.592 1.860 -10.757
223 H ASN 30 HN ASN 30 9.251 2.758 -5.933
224 HA ASN 30 HA ASN 30 11.043 3.741 -4.742
225 1HB ASN 30 HB2 ASN 30 8.520 5.171 -3.963
226 2HB ASN 30 HB1 ASN 30 10.035 5.621 -3.181
227 1HD2 ASN 30 HD21 ASN 30 10.976 7.363 -4.242
228 2HD2 ASN 30 HD22 ASN 30 10.959 7.611 -5.921
229 H GLY 31 HN GLY 31 9.544 1.352 -3.523
230 1HA GLY 31 HA2 GLY 31 9.823 0.075 -1.570
231 2HA GLY 31 HA1 GLY 31 11.010 1.268 -1.040
232 H LYS 32 HN LYS 32 7.601 1.856 -1.850
233 HA LYS 32 HA LYS 32 6.987 2.295 1.032
234 1HB LYS 32 HB2 LYS 32 7.366 4.317 -1.093
235 2HB LYS 32 HB1 LYS 32 5.896 4.523 -0.141
236 1HG LYS 32 HG2 LYS 32 7.115 4.660 1.902
237 2HG LYS 32 HG1 LYS 32 8.593 4.067 1.142
238 1HD LYS 32 HD2 LYS 32 8.886 6.426 1.355
239 2HD LYS 32 HD1 LYS 32 8.501 6.145 -0.343
240 1HE LYS 32 HE2 LYS 32 6.787 7.612 -0.116
241 2HE LYS 32 HE1 LYS 32 6.011 6.451 0.979
242 1HZ LYS 32 HZ1 LYS 32 6.727 8.825 1.820
243 2HZ LYS 32 HZ2 LYS 32 8.231 8.057 2.013
244 3HZ LYS 32 HZ3 LYS 32 6.860 7.463 2.821
245 H CYS 33 HN CYS 33 4.561 2.735 1.283
246 HA CYS 33 HA CYS 33 3.069 1.142 -0.773
247 1HB CYS 33 HB2 CYS 33 3.385 0.647 1.840
248 2HB CYS 33 HB1 CYS 33 1.997 1.728 1.951
249 H LYS 34 HN LYS 34 1.678 2.297 -2.034
250 HA LYS 34 HA LYS 34 0.737 4.966 -1.053
251 1HB LYS 34 HB2 LYS 34 1.379 3.710 -3.694
252 2HB LYS 34 HB1 LYS 34 0.169 4.993 -3.662
253 1HG LYS 34 HG2 LYS 34 1.970 6.241 -2.192
254 2HG LYS 34 HG1 LYS 34 3.087 5.126 -2.981
255 1HD LYS 34 HD2 LYS 34 1.171 7.015 -4.381
256 2HD LYS 34 HD1 LYS 34 2.922 7.202 -4.277
257 1HE LYS 34 HE2 LYS 34 2.358 4.564 -5.263
258 2HE LYS 34 HE1 LYS 34 1.460 5.745 -6.238
259 1HZ LYS 34 HZ1 LYS 34 3.346 6.790 -6.896
260 2HZ LYS 34 HZ2 LYS 34 4.022 5.251 -6.644
261 3HZ LYS 34 HZ3 LYS 34 4.180 6.456 -5.457
262 H CYS 35 HN CYS 35 -1.093 4.179 0.173
263 HA CYS 35 HA CYS 35 -3.107 2.507 -1.216
264 1HB CYS 35 HB2 CYS 35 -3.192 3.765 1.539
265 2HB CYS 35 HB1 CYS 35 -4.087 2.354 0.977
266 H TYR 36 HN TYR 36 -5.105 3.300 -1.911
267 HA TYR 36 HA TYR 36 -5.484 6.267 -1.725
268 1HB TYR 36 HB2 TYR 36 -5.830 4.185 -3.815
269 2HB TYR 36 HB1 TYR 36 -7.061 5.447 -3.780
270 HD1 TYR 36 HD1 TYR 36 -3.330 5.082 -3.551
271 HD2 TYR 36 HD2 TYR 36 -6.648 7.421 -4.954
272 HE1 TYR 36 HE1 TYR 36 -1.758 6.645 -4.660
273 HE2 TYR 36 HE2 TYR 36 -5.076 8.984 -6.065
274 HH TYR 36 HH TYR 36 -2.281 8.463 -6.943
275 HA PRO 37 HA PRO 37 -9.061 5.389 0.769
276 1HB PRO 37 HB2 PRO 37 -10.327 7.818 -0.107
277 2HB PRO 37 HB1 PRO 37 -9.487 7.518 1.418
278 1HG PRO 37 HG2 PRO 37 -8.609 9.134 -0.779
279 2HG PRO 37 HG1 PRO 37 -7.759 8.811 0.734
280 1HD PRO 37 HD2 PRO 37 -7.135 7.808 -1.905
281 2HD PRO 37 HD1 PRO 37 -6.264 7.504 -0.382
Start of MODEL 11
1 1H VAL 1 HT1 VAL 1 -2.633 9.764 -0.240
2 2H VAL 1 HT2 VAL 1 -4.102 9.606 0.598
3 3H VAL 1 HT3 VAL 1 -3.356 8.238 -0.080
4 HA VAL 1 HA VAL 1 -1.781 9.759 1.857
5 HB VAL 1 HB VAL 1 -3.943 9.832 2.899
6 1HG1 VAL 1 HG11 VAL 1 -4.220 7.192 1.576
7 2HG1 VAL 1 HG12 VAL 1 -5.432 8.440 1.865
8 3HG1 VAL 1 HG13 VAL 1 -4.978 7.334 3.162
9 1HG2 VAL 1 HG21 VAL 1 -3.234 7.347 4.248
10 2HG2 VAL 1 HG22 VAL 1 -3.181 9.001 4.858
11 3HG2 VAL 1 HG23 VAL 1 -1.815 8.352 3.951
12 H PHE 2 HN PHE 2 0.027 8.511 2.167
13 HA PHE 2 HA PHE 2 -0.167 5.577 1.553
14 1HB PHE 2 HB2 PHE 2 2.215 7.409 1.155
15 2HB PHE 2 HB1 PHE 2 2.011 5.772 0.533
16 HD1 PHE 2 HD1 PHE 2 2.419 8.654 -0.863
17 HD2 PHE 2 HD2 PHE 2 -0.873 5.949 -0.325
18 HE1 PHE 2 HE1 PHE 2 1.342 9.561 -2.904
19 HE2 PHE 2 HE2 PHE 2 -1.952 6.856 -2.364
20 HZ PHE 2 HZ PHE 2 -0.846 8.663 -3.655
21 H ILE 3 HN ILE 3 2.012 4.532 2.508
22 HA ILE 3 HA ILE 3 2.540 5.652 5.232
23 HB ILE 3 HB ILE 3 2.389 3.163 5.946
24 1HG1 ILE 3 HG12 ILE 3 0.900 3.098 3.300
25 2HG1 ILE 3 HG11 ILE 3 2.372 2.207 3.684
26 1HG2 ILE 3 HG21 ILE 3 0.401 5.216 5.603
27 2HG2 ILE 3 HG22 ILE 3 0.510 3.990 6.864
28 3HG2 ILE 3 HG23 ILE 3 -0.348 3.637 5.365
29 1HD1 ILE 3 HD11 ILE 3 1.016 1.215 5.655
30 2HD1 ILE 3 HD12 ILE 3 0.656 0.623 4.034
31 3HD1 ILE 3 HD13 ILE 3 -0.404 1.809 4.794
32 H ASN 4 HN ASN 4 4.576 4.761 6.162
33 HA ASN 4 HA ASN 4 6.615 4.386 4.069
34 1HB ASN 4 HB2 ASN 4 8.132 4.604 6.037
35 2HB ASN 4 HB1 ASN 4 6.956 5.915 5.955
36 1HD2 ASN 4 HD21 ASN 4 8.383 4.390 8.304
37 2HD2 ASN 4 HD22 ASN 4 7.104 4.057 9.369
38 H ALA 5 HN ALA 5 4.643 2.171 4.627
39 HA ALA 5 HA ALA 5 6.077 0.079 6.057
40 1HB ALA 5 HB1 ALA 5 3.995 -0.793 5.941
41 2HB ALA 5 HB2 ALA 5 4.112 -0.890 4.184
42 3HB ALA 5 HB3 ALA 5 3.507 0.581 4.948
43 H LYS 6 HN LYS 6 8.081 -0.378 5.130
44 HA LYS 6 HA LYS 6 9.021 -0.284 2.561
45 1HB LYS 6 HB2 LYS 6 10.325 -2.387 3.241
46 2HB LYS 6 HB1 LYS 6 10.405 -1.026 4.361
47 1HG LYS 6 HG2 LYS 6 8.645 -2.033 5.746
48 2HG LYS 6 HG1 LYS 6 8.501 -3.375 4.609
49 1HD LYS 6 HD2 LYS 6 9.978 -4.363 6.057
50 2HD LYS 6 HD1 LYS 6 11.155 -3.485 5.082
51 1HE LYS 6 HE2 LYS 6 11.596 -3.059 7.460
52 2HE LYS 6 HE1 LYS 6 10.988 -1.569 6.711
53 1HZ LYS 6 HZ1 LYS 6 9.882 -2.770 8.871
54 2HZ LYS 6 HZ2 LYS 6 8.911 -3.355 7.605
55 3HZ LYS 6 HZ3 LYS 6 9.080 -1.681 7.849
56 H CYS 7 HN CYS 7 7.357 -0.687 0.982
57 HA CYS 7 HA CYS 7 5.936 -3.243 0.892
58 1HB CYS 7 HB2 CYS 7 5.135 -2.281 -1.272
59 2HB CYS 7 HB1 CYS 7 4.978 -1.139 0.063
60 H ARG 8 HN ARG 8 6.376 -4.978 -0.538
61 HA ARG 8 HA ARG 8 9.115 -4.962 -1.744
62 1HB ARG 8 HB2 ARG 8 7.222 -7.142 -0.821
63 2HB ARG 8 HB1 ARG 8 8.756 -7.466 -1.628
64 1HG ARG 8 HG2 ARG 8 9.527 -7.510 0.531
65 2HG ARG 8 HG1 ARG 8 9.623 -5.767 0.275
66 1HD ARG 8 HD2 ARG 8 8.112 -5.434 1.924
67 2HD ARG 8 HD1 ARG 8 6.935 -6.446 1.063
68 HE ARG 8 HE ARG 8 8.865 -8.176 2.221
69 1HH1 ARG 8 HH11 ARG 8 7.132 -5.607 3.596
70 2HH1 ARG 8 HH12 ARG 8 6.433 -6.548 4.870
71 1HH2 ARG 8 HH21 ARG 8 7.656 -9.563 3.672
72 2HH2 ARG 8 HH22 ARG 8 6.731 -8.788 4.915
73 H GLY 9 HN GLY 9 5.721 -5.153 -2.491
74 1HA GLY 9 HA2 GLY 9 6.261 -5.007 -5.337
75 2HA GLY 9 HA1 GLY 9 5.622 -6.584 -4.872
76 H SER 10 HN SER 10 4.301 -4.620 -6.548
77 HA SER 10 HA SER 10 2.370 -2.985 -5.412
78 1HB SER 10 HB2 SER 10 2.792 -4.506 -7.845
79 2HB SER 10 HB1 SER 10 1.077 -4.427 -7.449
80 HG SER 10 HG SER 10 2.090 -2.622 -8.703
81 HA PRO 11 HA PRO 11 -0.550 -6.833 -4.865
82 1HB PRO 11 HB2 PRO 11 1.161 -9.118 -4.495
83 2HB PRO 11 HB1 PRO 11 -0.043 -8.848 -5.758
84 1HG PRO 11 HG2 PRO 11 2.805 -8.830 -6.029
85 2HG PRO 11 HG1 PRO 11 1.597 -8.511 -7.278
86 1HD PRO 11 HD2 PRO 11 3.368 -6.630 -5.986
87 2HD PRO 11 HD1 PRO 11 2.187 -6.307 -7.277
88 H GLU 12 HN GLU 12 2.544 -6.356 -3.311
89 HA GLU 12 HA GLU 12 1.776 -7.556 -0.756
90 1HB GLU 12 HB2 GLU 12 4.111 -7.360 -1.598
91 2HB GLU 12 HB1 GLU 12 3.979 -5.603 -1.501
92 1HG GLU 12 HG2 GLU 12 4.650 -5.743 0.646
93 2HG GLU 12 HG1 GLU 12 3.124 -6.549 1.007
94 H CYS 13 HN CYS 13 1.917 -4.261 -2.114
95 HA CYS 13 HA CYS 13 1.215 -2.892 0.314
96 1HB CYS 13 HB2 CYS 13 2.248 -1.956 -1.801
97 2HB CYS 13 HB1 CYS 13 0.660 -2.088 -2.557
98 H LEU 14 HN LEU 14 -0.710 -4.425 -2.239
99 HA LEU 14 HA LEU 14 -3.246 -3.335 -1.789
100 1HB LEU 14 HB2 LEU 14 -2.049 -5.717 -2.908
101 2HB LEU 14 HB1 LEU 14 -3.556 -6.130 -2.092
102 HG LEU 14 HG LEU 14 -4.616 -4.171 -3.334
103 1HD1 LEU 14 HD11 LEU 14 -2.950 -4.127 -5.591
104 2HD1 LEU 14 HD12 LEU 14 -1.855 -3.961 -4.218
105 3HD1 LEU 14 HD13 LEU 14 -3.182 -2.818 -4.431
106 1HD2 LEU 14 HD21 LEU 14 -4.394 -6.791 -3.997
107 2HD2 LEU 14 HD22 LEU 14 -3.635 -6.060 -5.412
108 3HD2 LEU 14 HD23 LEU 14 -5.289 -5.628 -4.975
109 HA PRO 15 HA PRO 15 -3.988 -6.566 1.778
110 1HB PRO 15 HB2 PRO 15 -1.393 -7.395 2.694
111 2HB PRO 15 HB1 PRO 15 -2.665 -8.399 1.993
112 1HG PRO 15 HG2 PRO 15 -0.176 -7.577 0.789
113 2HG PRO 15 HG1 PRO 15 -1.412 -8.650 0.126
114 1HD PRO 15 HD2 PRO 15 -0.796 -5.992 -0.727
115 2HD PRO 15 HD1 PRO 15 -2.131 -7.025 -1.289
116 H LYS 16 HN LYS 16 -0.895 -4.779 1.818
117 HA LYS 16 HA LYS 16 -0.869 -3.984 4.541
118 1HB LYS 16 HB2 LYS 16 0.162 -2.868 1.938
119 2HB LYS 16 HB1 LYS 16 0.414 -1.980 3.442
120 1HG LYS 16 HG2 LYS 16 1.161 -4.893 3.097
121 2HG LYS 16 HG1 LYS 16 2.291 -3.568 2.817
122 1HD LYS 16 HD2 LYS 16 2.696 -3.421 5.024
123 2HD LYS 16 HD1 LYS 16 0.982 -3.132 5.331
124 1HE LYS 16 HE2 LYS 16 1.319 -5.113 6.534
125 2HE LYS 16 HE1 LYS 16 0.822 -5.769 4.962
126 1HZ LYS 16 HZ1 LYS 16 3.398 -5.368 4.508
127 2HZ LYS 16 HZ2 LYS 16 2.799 -6.831 5.131
128 3HZ LYS 16 HZ3 LYS 16 3.471 -5.671 6.176
129 H CYS 17 HN CYS 17 -2.308 -2.343 1.701
130 HA CYS 17 HA CYS 17 -3.344 -0.087 3.145
131 1HB CYS 17 HB2 CYS 17 -4.305 -1.445 0.605
132 2HB CYS 17 HB1 CYS 17 -4.673 0.210 1.088
133 H LYS 18 HN LYS 18 -4.841 -3.180 2.155
134 HA LYS 18 HA LYS 18 -7.450 -2.712 3.183
135 1HB LYS 18 HB2 LYS 18 -6.431 -4.593 1.705
136 2HB LYS 18 HB1 LYS 18 -6.023 -5.372 3.234
137 1HG LYS 18 HG2 LYS 18 -8.700 -4.520 3.497
138 2HG LYS 18 HG1 LYS 18 -8.579 -5.249 1.895
139 1HD LYS 18 HD2 LYS 18 -7.184 -7.079 3.282
140 2HD LYS 18 HD1 LYS 18 -8.232 -6.499 4.577
141 1HE LYS 18 HE2 LYS 18 -9.754 -6.882 2.128
142 2HE LYS 18 HE1 LYS 18 -8.928 -8.378 2.610
143 1HZ LYS 18 HZ1 LYS 18 -9.897 -8.351 4.694
144 2HZ LYS 18 HZ2 LYS 18 -11.171 -7.803 3.713
145 3HZ LYS 18 HZ3 LYS 18 -10.265 -6.696 4.629
146 H GLU 19 HN GLU 19 -4.445 -3.467 4.801
147 HA GLU 19 HA GLU 19 -5.878 -4.055 7.351
148 1HB GLU 19 HB2 GLU 19 -3.904 -5.390 6.200
149 2HB GLU 19 HB1 GLU 19 -2.902 -4.152 6.958
150 1HG GLU 19 HG2 GLU 19 -2.994 -5.402 8.837
151 2HG GLU 19 HG1 GLU 19 -4.679 -4.894 8.973
152 H ALA 20 HN ALA 20 -4.301 -1.512 5.698
153 HA ALA 20 HA ALA 20 -3.603 -0.097 8.236
154 1HB ALA 20 HB1 ALA 20 -1.779 0.110 6.845
155 2HB ALA 20 HB2 ALA 20 -2.702 1.484 6.235
156 3HB ALA 20 HB3 ALA 20 -2.751 -0.060 5.382
157 H ILE 21 HN ILE 21 -4.928 0.904 5.056
158 HA ILE 21 HA ILE 21 -6.512 3.018 6.362
159 HB ILE 21 HB ILE 21 -6.824 3.787 4.124
160 1HG1 ILE 21 HG12 ILE 21 -5.958 1.042 3.163
161 2HG1 ILE 21 HG11 ILE 21 -7.636 1.573 3.264
162 1HG2 ILE 21 HG21 ILE 21 -4.283 2.575 3.399
163 2HG2 ILE 21 HG22 ILE 21 -4.279 3.108 5.079
164 3HG2 ILE 21 HG23 ILE 21 -4.644 4.256 3.792
165 1HD1 ILE 21 HD11 ILE 21 -6.156 1.857 1.026
166 2HD1 ILE 21 HD12 ILE 21 -5.767 3.381 1.823
167 3HD1 ILE 21 HD13 ILE 21 -7.445 2.978 1.462
168 H GLY 22 HN GLY 22 -6.988 -0.218 5.167
169 1HA GLY 22 HA2 GLY 22 -8.950 -1.517 5.754
170 2HA GLY 22 HA1 GLY 22 -9.868 -0.016 5.883
171 H LYS 23 HN LYS 23 -7.782 -0.277 3.159
172 HA LYS 23 HA LYS 23 -9.971 -1.280 1.406
173 1HB LYS 23 HB2 LYS 23 -10.218 1.177 1.676
174 2HB LYS 23 HB1 LYS 23 -8.559 1.393 1.118
175 1HG LYS 23 HG2 LYS 23 -9.738 1.710 -0.866
176 2HG LYS 23 HG1 LYS 23 -9.390 -0.018 -0.952
177 1HD LYS 23 HD2 LYS 23 -11.589 -0.479 -0.975
178 2HD LYS 23 HD1 LYS 23 -11.794 0.354 0.567
179 1HE LYS 23 HE2 LYS 23 -12.909 2.009 -0.499
180 2HE LYS 23 HE1 LYS 23 -11.461 2.346 -1.467
181 1HZ LYS 23 HZ1 LYS 23 -13.427 0.189 -2.029
182 2HZ LYS 23 HZ2 LYS 23 -12.055 0.561 -2.960
183 3HZ LYS 23 HZ3 LYS 23 -13.343 1.665 -2.860
184 H ALA 24 HN ALA 24 -8.997 -2.804 0.137
185 HA ALA 24 HA ALA 24 -6.107 -2.930 -0.206
186 1HB ALA 24 HB1 ALA 24 -7.772 -4.842 -0.043
187 2HB ALA 24 HB2 ALA 24 -6.646 -4.962 -1.394
188 3HB ALA 24 HB3 ALA 24 -8.302 -4.423 -1.670
189 H ALA 25 HN ALA 25 -6.347 -0.534 -1.182
190 HA ALA 25 HA ALA 25 -6.365 -0.857 -4.159
191 1HB ALA 25 HB1 ALA 25 -7.384 1.647 -2.861
192 2HB ALA 25 HB2 ALA 25 -8.433 0.230 -2.887
193 3HB ALA 25 HB3 ALA 25 -7.848 0.921 -4.400
194 H GLY 26 HN GLY 26 -3.951 -0.951 -3.630
195 1HA GLY 26 HA2 GLY 26 -2.779 1.678 -4.016
196 2HA GLY 26 HA1 GLY 26 -2.433 1.029 -2.415
197 H LYS 27 HN LYS 27 -0.317 1.474 -4.097
198 HA LYS 27 HA LYS 27 0.519 -1.317 -4.815
199 1HB LYS 27 HB2 LYS 27 1.159 1.243 -6.318
200 2HB LYS 27 HB1 LYS 27 1.576 -0.397 -6.812
201 1HG LYS 27 HG2 LYS 27 -0.624 -0.939 -7.360
202 2HG LYS 27 HG1 LYS 27 -1.299 0.302 -6.303
203 1HD LYS 27 HD2 LYS 27 0.305 0.922 -8.797
204 2HD LYS 27 HD1 LYS 27 -1.457 0.846 -8.763
205 1HE LYS 27 HE2 LYS 27 -1.191 2.526 -6.732
206 2HE LYS 27 HE1 LYS 27 0.370 2.868 -7.502
207 1HZ LYS 27 HZ1 LYS 27 -1.711 2.621 -9.432
208 2HZ LYS 27 HZ2 LYS 27 -0.632 3.909 -9.176
209 3HZ LYS 27 HZ3 LYS 27 -2.085 3.827 -8.299
210 H CYS 28 HN CYS 28 3.107 -1.045 -5.312
211 HA CYS 28 HA CYS 28 4.227 0.133 -2.808
212 1HB CYS 28 HB2 CYS 28 4.678 -2.205 -3.135
213 2HB CYS 28 HB1 CYS 28 5.136 -1.946 -4.818
214 H MET 29 HN MET 29 5.991 1.621 -2.929
215 HA MET 29 HA MET 29 6.796 2.513 -5.668
216 1HB MET 29 HB2 MET 29 4.909 3.788 -4.137
217 2HB MET 29 HB1 MET 29 6.381 4.637 -3.662
218 1HG MET 29 HG2 MET 29 6.869 4.760 -6.212
219 2HG MET 29 HG1 MET 29 5.156 4.388 -6.403
220 1HE MET 29 HE1 MET 29 7.428 7.715 -6.181
221 2HE MET 29 HE2 MET 29 6.030 8.045 -7.201
222 3HE MET 29 HE3 MET 29 6.883 6.511 -7.356
223 H ASN 30 HN ASN 30 8.901 1.639 -5.329
224 HA ASN 30 HA ASN 30 11.156 1.748 -4.644
225 1HB ASN 30 HB2 ASN 30 9.915 4.384 -4.185
226 2HB ASN 30 HB1 ASN 30 11.383 4.101 -3.247
227 1HD2 ASN 30 HD21 ASN 30 13.283 3.157 -4.629
228 2HD2 ASN 30 HD22 ASN 30 13.457 3.780 -6.198
229 H GLY 31 HN GLY 31 8.701 1.121 -2.613
230 1HA GLY 31 HA2 GLY 31 9.428 -0.310 -0.651
231 2HA GLY 31 HA1 GLY 31 10.488 1.030 -0.214
232 H LYS 32 HN LYS 32 7.544 2.146 -1.483
233 HA LYS 32 HA LYS 32 6.483 2.519 1.299
234 1HB LYS 32 HB2 LYS 32 6.958 4.341 -1.009
235 2HB LYS 32 HB1 LYS 32 5.502 4.637 -0.059
236 1HG LYS 32 HG2 LYS 32 6.686 5.161 1.859
237 2HG LYS 32 HG1 LYS 32 8.067 4.163 1.406
238 1HD LYS 32 HD2 LYS 32 8.865 5.777 -0.143
239 2HD LYS 32 HD1 LYS 32 7.338 6.659 -0.131
240 1HE LYS 32 HE2 LYS 32 8.170 6.607 2.563
241 2HE LYS 32 HE1 LYS 32 9.625 6.990 1.620
242 1HZ LYS 32 HZ1 LYS 32 6.987 8.276 1.171
243 2HZ LYS 32 HZ2 LYS 32 8.474 8.710 0.476
244 3HZ LYS 32 HZ3 LYS 32 8.204 8.957 2.135
245 H CYS 33 HN CYS 33 4.145 2.554 1.480
246 HA CYS 33 HA CYS 33 2.804 0.911 -0.600
247 1HB CYS 33 HB2 CYS 33 2.892 0.866 2.141
248 2HB CYS 33 HB1 CYS 33 1.387 1.734 1.862
249 H LYS 34 HN LYS 34 1.609 1.996 -2.131
250 HA LYS 34 HA LYS 34 0.672 4.760 -1.544
251 1HB LYS 34 HB2 LYS 34 1.039 3.042 -4.002
252 2HB LYS 34 HB1 LYS 34 0.163 4.572 -4.077
253 1HG LYS 34 HG2 LYS 34 2.406 5.294 -2.674
254 2HG LYS 34 HG1 LYS 34 3.053 4.079 -3.776
255 1HD LYS 34 HD2 LYS 34 1.267 6.327 -4.722
256 2HD LYS 34 HD1 LYS 34 3.023 6.482 -4.653
257 1HE LYS 34 HE2 LYS 34 3.228 4.463 -6.114
258 2HE LYS 34 HE1 LYS 34 1.460 4.429 -6.259
259 1HZ LYS 34 HZ1 LYS 34 2.975 6.910 -6.770
260 2HZ LYS 34 HZ2 LYS 34 1.416 6.485 -7.299
261 3HZ LYS 34 HZ3 LYS 34 2.783 5.754 -7.996
262 H CYS 35 HN CYS 35 -1.049 3.840 -0.054
263 HA CYS 35 HA CYS 35 -3.202 2.248 -1.240
264 1HB CYS 35 HB2 CYS 35 -3.056 3.806 1.360
265 2HB CYS 35 HB1 CYS 35 -4.166 2.486 0.990
266 H TYR 36 HN TYR 36 -5.400 3.045 -1.512
267 HA TYR 36 HA TYR 36 -5.645 6.023 -1.762
268 1HB TYR 36 HB2 TYR 36 -5.841 3.852 -3.757
269 2HB TYR 36 HB1 TYR 36 -7.169 5.012 -3.814
270 HD1 TYR 36 HD1 TYR 36 -3.436 5.046 -3.366
271 HD2 TYR 36 HD2 TYR 36 -6.875 6.864 -5.187
272 HE1 TYR 36 HE1 TYR 36 -1.964 6.676 -4.520
273 HE2 TYR 36 HE2 TYR 36 -5.403 8.494 -6.340
274 HH TYR 36 HH TYR 36 -3.030 8.628 -7.071
275 HA PRO 37 HA PRO 37 -9.087 4.050 0.728
276 1HB PRO 37 HB2 PRO 37 -9.035 6.454 2.307
277 2HB PRO 37 HB1 PRO 37 -8.570 4.822 2.796
278 1HG PRO 37 HG2 PRO 37 -6.853 7.070 2.307
279 2HG PRO 37 HG1 PRO 37 -6.391 5.437 2.794
280 1HD PRO 37 HD2 PRO 37 -6.006 6.692 0.225
281 2HD PRO 37 HD1 PRO 37 -5.550 5.041 0.713
Start of MODEL 12
1 1H VAL 1 HT1 VAL 1 -4.235 5.753 3.850
2 2H VAL 1 HT2 VAL 1 -2.987 4.715 3.350
3 3H VAL 1 HT3 VAL 1 -4.081 5.342 2.211
4 HA VAL 1 HA VAL 1 -3.066 7.364 2.109
5 HB VAL 1 HB VAL 1 -1.841 8.169 4.224
6 1HG1 VAL 1 HG11 VAL 1 -3.831 9.022 5.085
7 2HG1 VAL 1 HG12 VAL 1 -4.700 7.505 4.852
8 3HG1 VAL 1 HG13 VAL 1 -4.343 8.538 3.468
9 1HG2 VAL 1 HG21 VAL 1 -1.654 5.759 5.084
10 2HG2 VAL 1 HG22 VAL 1 -3.363 5.887 5.502
11 3HG2 VAL 1 HG23 VAL 1 -2.187 6.963 6.256
12 H PHE 2 HN PHE 2 -0.483 8.037 2.923
13 HA PHE 2 HA PHE 2 1.112 5.941 1.543
14 1HB PHE 2 HB2 PHE 2 1.379 8.867 2.198
15 2HB PHE 2 HB1 PHE 2 2.805 7.942 1.738
16 HD1 PHE 2 HD1 PHE 2 -0.522 7.060 0.443
17 HD2 PHE 2 HD2 PHE 2 3.116 9.202 -0.342
18 HE1 PHE 2 HE1 PHE 2 -1.159 7.264 -1.942
19 HE2 PHE 2 HE2 PHE 2 2.480 9.406 -2.729
20 HZ PHE 2 HZ PHE 2 0.342 8.437 -3.531
21 H ILE 3 HN ILE 3 2.754 4.812 2.596
22 HA ILE 3 HA ILE 3 3.601 5.679 5.311
23 HB ILE 3 HB ILE 3 3.105 3.329 6.121
24 1HG1 ILE 3 HG12 ILE 3 1.636 3.223 3.466
25 2HG1 ILE 3 HG11 ILE 3 3.012 2.224 3.935
26 1HG2 ILE 3 HG21 ILE 3 1.595 5.335 6.474
27 2HG2 ILE 3 HG22 ILE 3 0.774 3.776 6.520
28 3HG2 ILE 3 HG23 ILE 3 0.663 4.788 5.081
29 1HD1 ILE 3 HD11 ILE 3 1.593 1.433 5.906
30 2HD1 ILE 3 HD12 ILE 3 1.073 0.879 4.316
31 3HD1 ILE 3 HD13 ILE 3 0.223 2.205 5.108
32 H ASN 4 HN ASN 4 5.700 4.927 5.825
33 HA ASN 4 HA ASN 4 7.270 3.890 3.554
34 1HB ASN 4 HB2 ASN 4 9.149 4.474 5.002
35 2HB ASN 4 HB1 ASN 4 7.966 5.782 5.040
36 1HD2 ASN 4 HD21 ASN 4 9.798 5.429 7.198
37 2HD2 ASN 4 HD22 ASN 4 8.930 4.932 8.570
38 H ALA 5 HN ALA 5 5.863 1.766 3.867
39 HA ALA 5 HA ALA 5 6.885 0.030 6.048
40 1HB ALA 5 HB1 ALA 5 4.479 0.126 5.501
41 2HB ALA 5 HB2 ALA 5 5.119 -1.488 5.187
42 3HB ALA 5 HB3 ALA 5 4.829 -0.376 3.848
43 H LYS 6 HN LYS 6 8.599 0.938 3.739
44 HA LYS 6 HA LYS 6 9.983 0.017 2.032
45 1HB LYS 6 HB2 LYS 6 11.305 -1.792 3.031
46 2HB LYS 6 HB1 LYS 6 10.957 -0.549 4.230
47 1HG LYS 6 HG2 LYS 6 9.293 -1.869 5.281
48 2HG LYS 6 HG1 LYS 6 9.190 -2.974 3.910
49 1HD LYS 6 HD2 LYS 6 10.571 -4.278 5.172
50 2HD LYS 6 HD1 LYS 6 11.829 -3.209 4.552
51 1HE LYS 6 HE2 LYS 6 10.761 -1.803 6.724
52 2HE LYS 6 HE1 LYS 6 10.859 -3.485 7.284
53 1HZ LYS 6 HZ1 LYS 6 13.101 -3.596 6.874
54 2HZ LYS 6 HZ2 LYS 6 12.964 -1.975 7.365
55 3HZ LYS 6 HZ3 LYS 6 13.073 -2.360 5.713
56 H CYS 7 HN CYS 7 7.391 -0.548 1.301
57 HA CYS 7 HA CYS 7 6.580 -3.226 0.994
58 1HB CYS 7 HB2 CYS 7 5.276 -2.347 -0.874
59 2HB CYS 7 HB1 CYS 7 5.337 -1.126 0.397
60 H ARG 8 HN ARG 8 7.235 -4.895 -0.364
61 HA ARG 8 HA ARG 8 9.580 -4.329 -2.148
62 1HB ARG 8 HB2 ARG 8 8.692 -6.646 -0.437
63 2HB ARG 8 HB1 ARG 8 9.823 -6.908 -1.766
64 1HG ARG 8 HG2 ARG 8 10.251 -4.808 0.373
65 2HG ARG 8 HG1 ARG 8 10.910 -6.442 0.479
66 1HD ARG 8 HD2 ARG 8 11.406 -5.022 -2.087
67 2HD ARG 8 HD1 ARG 8 12.274 -4.402 -0.668
68 HE ARG 8 HE ARG 8 13.490 -6.429 -0.590
69 1HH1 ARG 8 HH11 ARG 8 13.097 -6.728 -3.530
70 2HH1 ARG 8 HH12 ARG 8 12.403 -8.310 -3.654
71 1HH2 ARG 8 HH21 ARG 8 11.534 -8.479 -0.302
72 2HH2 ARG 8 HH22 ARG 8 11.519 -9.301 -1.826
73 H GLY 9 HN GLY 9 6.276 -5.178 -2.152
74 1HA GLY 9 HA2 GLY 9 6.411 -5.759 -5.033
75 2HA GLY 9 HA1 GLY 9 5.788 -7.073 -4.036
76 H SER 10 HN SER 10 4.429 -5.360 -6.078
77 HA SER 10 HA SER 10 2.646 -3.498 -4.876
78 1HB SER 10 HB2 SER 10 3.235 -4.227 -7.363
79 2HB SER 10 HB1 SER 10 1.807 -5.238 -7.161
80 HG SER 10 HG SER 10 2.056 -2.430 -7.034
81 HA PRO 11 HA PRO 11 -0.439 -7.261 -4.564
82 1HB PRO 11 HB2 PRO 11 1.178 -9.560 -3.944
83 2HB PRO 11 HB1 PRO 11 0.102 -9.321 -5.324
84 1HG PRO 11 HG2 PRO 11 2.964 -9.367 -5.327
85 2HG PRO 11 HG1 PRO 11 1.886 -9.086 -6.697
86 1HD PRO 11 HD2 PRO 11 3.568 -7.180 -5.332
87 2HD PRO 11 HD1 PRO 11 2.514 -6.895 -6.738
88 H GLU 12 HN GLU 12 2.527 -6.810 -2.781
89 HA GLU 12 HA GLU 12 1.504 -7.829 -0.235
90 1HB GLU 12 HB2 GLU 12 3.925 -7.674 -1.066
91 2HB GLU 12 HB1 GLU 12 3.817 -5.942 -0.756
92 1HG GLU 12 HG2 GLU 12 3.838 -6.210 1.515
93 2HG GLU 12 HG1 GLU 12 2.909 -7.708 1.447
94 H CYS 13 HN CYS 13 1.752 -4.701 -1.872
95 HA CYS 13 HA CYS 13 0.995 -3.076 0.398
96 1HB CYS 13 HB2 CYS 13 1.512 -2.840 -2.485
97 2HB CYS 13 HB1 CYS 13 0.285 -1.713 -1.907
98 H LEU 14 HN LEU 14 -0.794 -4.927 -2.002
99 HA LEU 14 HA LEU 14 -3.328 -3.664 -1.852
100 1HB LEU 14 HB2 LEU 14 -2.142 -6.158 -2.737
101 2HB LEU 14 HB1 LEU 14 -3.731 -6.448 -2.030
102 HG LEU 14 HG LEU 14 -4.045 -5.989 -4.381
103 1HD1 LEU 14 HD11 LEU 14 -5.869 -4.803 -3.812
104 2HD1 LEU 14 HD12 LEU 14 -4.888 -3.340 -3.727
105 3HD1 LEU 14 HD13 LEU 14 -5.102 -4.343 -2.292
106 1HD2 LEU 14 HD21 LEU 14 -2.742 -3.291 -4.033
107 2HD2 LEU 14 HD22 LEU 14 -3.076 -4.169 -5.525
108 3HD2 LEU 14 HD23 LEU 14 -1.779 -4.706 -4.457
109 HA PRO 15 HA PRO 15 -4.377 -6.669 1.824
110 1HB PRO 15 HB2 PRO 15 -1.871 -7.508 2.960
111 2HB PRO 15 HB1 PRO 15 -3.121 -8.518 2.226
112 1HG PRO 15 HG2 PRO 15 -0.535 -7.844 1.160
113 2HG PRO 15 HG1 PRO 15 -1.768 -8.891 0.453
114 1HD PRO 15 HD2 PRO 15 -0.982 -6.280 -0.436
115 2HD PRO 15 HD1 PRO 15 -2.283 -7.305 -1.086
116 H LYS 16 HN LYS 16 -1.235 -4.972 1.998
117 HA LYS 16 HA LYS 16 -1.474 -4.000 4.676
118 1HB LYS 16 HB2 LYS 16 -0.047 -3.058 2.177
119 2HB LYS 16 HB1 LYS 16 0.182 -2.279 3.743
120 1HG LYS 16 HG2 LYS 16 0.728 -5.185 3.074
121 2HG LYS 16 HG1 LYS 16 1.928 -3.946 3.443
122 1HD LYS 16 HD2 LYS 16 0.277 -3.773 5.626
123 2HD LYS 16 HD1 LYS 16 0.212 -5.500 5.268
124 1HE LYS 16 HE2 LYS 16 2.875 -5.107 5.000
125 2HE LYS 16 HE1 LYS 16 2.509 -3.856 6.205
126 1HZ LYS 16 HZ1 LYS 16 2.919 -6.248 7.022
127 2HZ LYS 16 HZ2 LYS 16 1.351 -6.559 6.447
128 3HZ LYS 16 HZ3 LYS 16 1.598 -5.392 7.656
129 H CYS 17 HN CYS 17 -2.236 -2.381 1.563
130 HA CYS 17 HA CYS 17 -3.236 0.051 2.590
131 1HB CYS 17 HB2 CYS 17 -3.933 -1.646 0.180
132 2HB CYS 17 HB1 CYS 17 -4.595 -0.028 0.415
133 H LYS 18 HN LYS 18 -4.837 -3.095 2.217
134 HA LYS 18 HA LYS 18 -7.498 -2.218 2.882
135 1HB LYS 18 HB2 LYS 18 -6.606 -4.391 1.787
136 2HB LYS 18 HB1 LYS 18 -6.300 -4.938 3.437
137 1HG LYS 18 HG2 LYS 18 -8.992 -3.916 2.498
138 2HG LYS 18 HG1 LYS 18 -8.551 -5.624 2.500
139 1HD LYS 18 HD2 LYS 18 -7.837 -4.963 5.027
140 2HD LYS 18 HD1 LYS 18 -9.163 -3.824 4.781
141 1HE LYS 18 HE2 LYS 18 -10.535 -5.826 3.936
142 2HE LYS 18 HE1 LYS 18 -9.254 -6.849 4.617
143 1HZ LYS 18 HZ1 LYS 18 -9.960 -6.429 6.672
144 2HZ LYS 18 HZ2 LYS 18 -11.332 -5.682 6.005
145 3HZ LYS 18 HZ3 LYS 18 -9.967 -4.753 6.409
146 H GLU 19 HN GLU 19 -4.966 -3.822 4.847
147 HA GLU 19 HA GLU 19 -6.425 -3.546 7.339
148 1HB GLU 19 HB2 GLU 19 -4.846 -5.294 7.205
149 2HB GLU 19 HB1 GLU 19 -3.628 -4.258 6.462
150 1HG GLU 19 HG2 GLU 19 -3.109 -4.773 8.846
151 2HG GLU 19 HG1 GLU 19 -3.326 -3.045 8.564
152 H ALA 20 HN ALA 20 -4.868 -1.283 5.398
153 HA ALA 20 HA ALA 20 -3.736 0.370 7.554
154 1HB ALA 20 HB1 ALA 20 -3.093 1.792 5.692
155 2HB ALA 20 HB2 ALA 20 -4.239 0.981 4.625
156 3HB ALA 20 HB3 ALA 20 -2.818 0.117 5.213
157 H ILE 21 HN ILE 21 -6.302 0.861 5.091
158 HA ILE 21 HA ILE 21 -7.637 2.739 7.015
159 HB ILE 21 HB ILE 21 -8.447 3.882 4.994
160 1HG1 ILE 21 HG12 ILE 21 -6.961 1.660 3.555
161 2HG1 ILE 21 HG11 ILE 21 -8.697 1.967 3.511
162 1HG2 ILE 21 HG21 ILE 21 -6.500 5.016 4.817
163 2HG2 ILE 21 HG22 ILE 21 -5.655 3.614 4.163
164 3HG2 ILE 21 HG23 ILE 21 -5.823 3.807 5.908
165 1HD1 ILE 21 HD11 ILE 21 -8.012 3.004 1.541
166 2HD1 ILE 21 HD12 ILE 21 -6.468 3.511 2.227
167 3HD1 ILE 21 HD13 ILE 21 -7.950 4.355 2.674
168 H GLY 22 HN GLY 22 -8.097 0.066 4.734
169 1HA GLY 22 HA2 GLY 22 -9.898 -1.547 5.590
170 2HA GLY 22 HA1 GLY 22 -10.938 -0.125 5.658
171 H LYS 23 HN LYS 23 -8.722 -0.191 3.019
172 HA LYS 23 HA LYS 23 -10.739 -1.419 1.201
173 1HB LYS 23 HB2 LYS 23 -11.121 1.068 1.492
174 2HB LYS 23 HB1 LYS 23 -9.523 1.330 0.792
175 1HG LYS 23 HG2 LYS 23 -11.081 1.528 -1.017
176 2HG LYS 23 HG1 LYS 23 -10.308 -0.047 -1.205
177 1HD LYS 23 HD2 LYS 23 -12.321 -0.889 0.267
178 2HD LYS 23 HD1 LYS 23 -13.093 0.596 -0.285
179 1HE LYS 23 HE2 LYS 23 -12.549 -0.081 -2.657
180 2HE LYS 23 HE1 LYS 23 -12.005 -1.647 -2.019
181 1HZ LYS 23 HZ1 LYS 23 -14.100 -2.157 -1.229
182 2HZ LYS 23 HZ2 LYS 23 -14.470 -1.374 -2.690
183 3HZ LYS 23 HZ3 LYS 23 -14.616 -0.542 -1.215
184 H ALA 24 HN ALA 24 -9.649 -2.773 -0.169
185 HA ALA 24 HA ALA 24 -6.753 -2.843 -0.272
186 1HB ALA 24 HB1 ALA 24 -8.895 -4.526 -0.795
187 2HB ALA 24 HB2 ALA 24 -7.206 -4.892 -1.147
188 3HB ALA 24 HB3 ALA 24 -8.241 -4.210 -2.402
189 H ALA 25 HN ALA 25 -6.377 -0.572 -1.042
190 HA ALA 25 HA ALA 25 -6.390 -0.475 -4.019
191 1HB ALA 25 HB1 ALA 25 -7.347 1.843 -2.332
192 2HB ALA 25 HB2 ALA 25 -8.459 0.608 -2.921
193 3HB ALA 25 HB3 ALA 25 -7.555 1.600 -4.066
194 H GLY 26 HN GLY 26 -4.288 -0.031 -4.548
195 1HA GLY 26 HA2 GLY 26 -2.784 2.168 -4.151
196 2HA GLY 26 HA1 GLY 26 -2.547 1.352 -2.604
197 H LYS 27 HN LYS 27 -0.265 1.631 -3.888
198 HA LYS 27 HA LYS 27 0.354 -1.116 -4.842
199 1HB LYS 27 HB2 LYS 27 0.789 1.474 -6.356
200 2HB LYS 27 HB1 LYS 27 1.600 -0.035 -6.782
201 1HG LYS 27 HG2 LYS 27 -0.256 -0.249 -8.128
202 2HG LYS 27 HG1 LYS 27 -0.911 -0.962 -6.655
203 1HD LYS 27 HD2 LYS 27 -2.519 0.613 -6.687
204 2HD LYS 27 HD1 LYS 27 -1.269 1.815 -6.363
205 1HE LYS 27 HE2 LYS 27 -1.157 1.126 -9.151
206 2HE LYS 27 HE1 LYS 27 -2.827 1.553 -8.729
207 1HZ LYS 27 HZ1 LYS 27 -1.570 3.548 -9.209
208 2HZ LYS 27 HZ2 LYS 27 -0.393 3.124 -8.060
209 3HZ LYS 27 HZ3 LYS 27 -1.970 3.510 -7.561
210 H CYS 28 HN CYS 28 2.979 -0.825 -5.491
211 HA CYS 28 HA CYS 28 4.191 0.421 -3.043
212 1HB CYS 28 HB2 CYS 28 4.304 -1.952 -2.867
213 2HB CYS 28 HB1 CYS 28 4.715 -2.136 -4.571
214 H MET 29 HN MET 29 5.795 1.909 -3.435
215 HA MET 29 HA MET 29 7.286 1.837 -6.005
216 1HB MET 29 HB2 MET 29 5.303 3.172 -6.473
217 2HB MET 29 HB1 MET 29 5.557 4.125 -5.011
218 1HG MET 29 HG2 MET 29 6.568 5.544 -6.511
219 2HG MET 29 HG1 MET 29 7.953 4.507 -6.167
220 1HE MET 29 HE1 MET 29 9.122 4.941 -9.010
221 2HE MET 29 HE2 MET 29 8.144 6.146 -8.174
222 3HE MET 29 HE3 MET 29 7.772 5.725 -9.844
223 H ASN 30 HN ASN 30 9.355 2.765 -5.785
224 HA ASN 30 HA ASN 30 11.272 3.478 -4.592
225 1HB ASN 30 HB2 ASN 30 9.180 5.365 -4.520
226 2HB ASN 30 HB1 ASN 30 9.841 5.337 -2.884
227 1HD2 ASN 30 HD21 ASN 30 11.529 6.800 -2.634
228 2HD2 ASN 30 HD22 ASN 30 12.628 7.245 -3.849
229 H GLY 31 HN GLY 31 9.627 1.257 -3.428
230 1HA GLY 31 HA2 GLY 31 9.772 -0.059 -1.483
231 2HA GLY 31 HA1 GLY 31 10.948 1.099 -0.862
232 H LYS 32 HN LYS 32 7.833 2.228 -1.930
233 HA LYS 32 HA LYS 32 6.996 2.552 0.935
234 1HB LYS 32 HB2 LYS 32 7.243 4.470 -1.354
235 2HB LYS 32 HB1 LYS 32 5.957 4.737 -0.177
236 1HG LYS 32 HG2 LYS 32 7.939 4.312 1.551
237 2HG LYS 32 HG1 LYS 32 8.919 4.863 0.193
238 1HD LYS 32 HD2 LYS 32 8.185 7.003 0.378
239 2HD LYS 32 HD1 LYS 32 6.520 6.500 0.667
240 1HE LYS 32 HE2 LYS 32 6.761 6.646 2.927
241 2HE LYS 32 HE1 LYS 32 8.349 5.855 2.891
242 1HZ LYS 32 HZ1 LYS 32 8.462 8.239 3.504
243 2HZ LYS 32 HZ2 LYS 32 7.843 8.635 1.972
244 3HZ LYS 32 HZ3 LYS 32 9.352 7.865 2.108
245 H CYS 33 HN CYS 33 4.666 2.602 1.249
246 HA CYS 33 HA CYS 33 3.171 1.176 -0.914
247 1HB CYS 33 HB2 CYS 33 3.567 0.399 1.570
248 2HB CYS 33 HB1 CYS 33 2.265 1.530 1.931
249 H LYS 34 HN LYS 34 1.717 2.388 -2.051
250 HA LYS 34 HA LYS 34 0.686 4.916 -0.814
251 1HB LYS 34 HB2 LYS 34 1.025 3.965 -3.677
252 2HB LYS 34 HB1 LYS 34 0.284 5.504 -3.236
253 1HG LYS 34 HG2 LYS 34 2.287 6.399 -2.448
254 2HG LYS 34 HG1 LYS 34 2.990 4.812 -2.137
255 1HD LYS 34 HD2 LYS 34 3.964 6.000 -4.140
256 2HD LYS 34 HD1 LYS 34 3.298 4.405 -4.496
257 1HE LYS 34 HE2 LYS 34 1.295 6.545 -4.712
258 2HE LYS 34 HE1 LYS 34 2.639 6.721 -5.859
259 1HZ LYS 34 HZ1 LYS 34 2.353 4.196 -6.156
260 2HZ LYS 34 HZ2 LYS 34 1.251 5.230 -6.933
261 3HZ LYS 34 HZ3 LYS 34 0.808 4.436 -5.498
262 H CYS 35 HN CYS 35 -1.268 4.360 0.158
263 HA CYS 35 HA CYS 35 -3.139 2.580 -1.341
264 1HB CYS 35 HB2 CYS 35 -3.219 3.582 1.521
265 2HB CYS 35 HB1 CYS 35 -4.166 2.260 0.838
266 H TYR 36 HN TYR 36 -5.324 3.271 -1.684
267 HA TYR 36 HA TYR 36 -5.797 6.214 -1.327
268 1HB TYR 36 HB2 TYR 36 -6.167 4.333 -3.646
269 2HB TYR 36 HB1 TYR 36 -7.180 5.771 -3.522
270 HD1 TYR 36 HD1 TYR 36 -3.908 4.482 -4.365
271 HD2 TYR 36 HD2 TYR 36 -6.064 8.044 -3.305
272 HE1 TYR 36 HE1 TYR 36 -2.050 5.870 -5.247
273 HE2 TYR 36 HE2 TYR 36 -4.207 9.430 -4.188
274 HH TYR 36 HH TYR 36 -1.578 8.042 -6.000
275 HA PRO 37 HA PRO 37 -9.567 5.234 0.706
276 1HB PRO 37 HB2 PRO 37 -11.161 7.086 -0.811
277 2HB PRO 37 HB1 PRO 37 -10.469 7.312 0.799
278 1HG PRO 37 HG2 PRO 37 -9.653 8.552 -1.658
279 2HG PRO 37 HG1 PRO 37 -8.966 8.777 -0.046
280 1HD PRO 37 HD2 PRO 37 -7.796 7.387 -2.287
281 2HD PRO 37 HD1 PRO 37 -7.111 7.599 -0.657
Start of MODEL 13
1 1H VAL 1 HT1 VAL 1 -2.923 10.929 1.486
2 2H VAL 1 HT2 VAL 1 -3.192 9.719 0.325
3 3H VAL 1 HT3 VAL 1 -1.607 10.118 0.788
4 HA VAL 1 HA VAL 1 -2.422 9.438 3.155
5 HB VAL 1 HB VAL 1 -4.353 8.182 1.182
6 1HG1 VAL 1 HG11 VAL 1 -3.587 7.441 3.992
7 2HG1 VAL 1 HG12 VAL 1 -3.919 6.389 2.616
8 3HG1 VAL 1 HG13 VAL 1 -5.247 7.197 3.451
9 1HG2 VAL 1 HG21 VAL 1 -5.666 9.896 1.829
10 2HG2 VAL 1 HG22 VAL 1 -4.438 10.454 2.964
11 3HG2 VAL 1 HG23 VAL 1 -5.626 9.254 3.471
12 H PHE 2 HN PHE 2 -0.101 8.948 2.415
13 HA PHE 2 HA PHE 2 0.152 6.207 1.231
14 1HB PHE 2 HB2 PHE 2 1.899 8.659 1.424
15 2HB PHE 2 HB1 PHE 2 2.605 7.088 1.059
16 HD1 PHE 2 HD1 PHE 2 3.216 8.550 -1.078
17 HD2 PHE 2 HD2 PHE 2 -0.730 7.142 -0.120
18 HE1 PHE 2 HE1 PHE 2 2.546 8.804 -3.450
19 HE2 PHE 2 HE2 PHE 2 -1.397 7.397 -2.492
20 HZ PHE 2 HZ PHE 2 0.240 8.228 -4.158
21 H ILE 3 HN ILE 3 1.456 4.652 2.324
22 HA ILE 3 HA ILE 3 2.249 5.356 5.131
23 HB ILE 3 HB ILE 3 1.296 3.280 5.860
24 1HG1 ILE 3 HG12 ILE 3 0.875 2.651 2.919
25 2HG1 ILE 3 HG11 ILE 3 2.087 1.906 3.962
26 1HG2 ILE 3 HG21 ILE 3 -0.626 4.327 3.767
27 2HG2 ILE 3 HG22 ILE 3 -0.295 5.175 5.278
28 3HG2 ILE 3 HG23 ILE 3 -1.023 3.570 5.311
29 1HD1 ILE 3 HD11 ILE 3 -0.900 1.587 4.012
30 2HD1 ILE 3 HD12 ILE 3 0.031 1.337 5.490
31 3HD1 ILE 3 HD13 ILE 3 0.350 0.346 4.066
32 H ASN 4 HN ASN 4 4.311 4.667 5.673
33 HA ASN 4 HA ASN 4 5.932 3.398 3.555
34 1HB ASN 4 HB2 ASN 4 7.763 3.934 5.202
35 2HB ASN 4 HB1 ASN 4 6.796 5.333 4.739
36 1HD2 ASN 4 HD21 ASN 4 7.901 3.498 7.421
37 2HD2 ASN 4 HD22 ASN 4 6.916 4.211 8.604
38 H ALA 5 HN ALA 5 4.401 1.371 4.044
39 HA ALA 5 HA ALA 5 5.141 -0.181 6.422
40 1HB ALA 5 HB1 ALA 5 3.824 -1.508 4.137
41 2HB ALA 5 HB2 ALA 5 3.002 -0.051 4.697
42 3HB ALA 5 HB3 ALA 5 3.297 -1.385 5.814
43 H LYS 6 HN LYS 6 6.768 0.529 3.631
44 HA LYS 6 HA LYS 6 8.717 -0.423 2.685
45 1HB LYS 6 HB2 LYS 6 8.885 -1.049 5.213
46 2HB LYS 6 HB1 LYS 6 8.408 -2.661 4.677
47 1HG LYS 6 HG2 LYS 6 10.473 -1.591 2.951
48 2HG LYS 6 HG1 LYS 6 11.002 -1.573 4.633
49 1HD LYS 6 HD2 LYS 6 9.624 -4.024 3.607
50 2HD LYS 6 HD1 LYS 6 11.304 -3.750 3.143
51 1HE LYS 6 HE2 LYS 6 10.840 -3.257 5.998
52 2HE LYS 6 HE1 LYS 6 10.490 -4.930 5.517
53 1HZ LYS 6 HZ1 LYS 6 12.598 -5.161 4.543
54 2HZ LYS 6 HZ2 LYS 6 12.898 -4.399 6.032
55 3HZ LYS 6 HZ3 LYS 6 12.909 -3.494 4.593
56 H CYS 7 HN CYS 7 6.400 -0.937 1.330
57 HA CYS 7 HA CYS 7 5.584 -3.617 0.954
58 1HB CYS 7 HB2 CYS 7 4.775 -2.793 -1.198
59 2HB CYS 7 HB1 CYS 7 4.561 -1.530 0.013
60 H ARG 8 HN ARG 8 6.127 -4.254 -1.732
61 HA ARG 8 HA ARG 8 9.103 -4.486 -1.872
62 1HB ARG 8 HB2 ARG 8 7.176 -6.805 -2.180
63 2HB ARG 8 HB1 ARG 8 8.935 -6.883 -2.064
64 1HG ARG 8 HG2 ARG 8 8.794 -5.922 0.232
65 2HG ARG 8 HG1 ARG 8 7.035 -5.967 0.114
66 1HD ARG 8 HD2 ARG 8 7.094 -8.416 -0.167
67 2HD ARG 8 HD1 ARG 8 8.866 -8.386 -0.082
68 HE ARG 8 HE ARG 8 8.535 -7.301 2.219
69 1HH1 ARG 8 HH11 ARG 8 7.801 -10.312 1.922
70 2HH1 ARG 8 HH12 ARG 8 6.356 -10.364 2.878
71 1HH2 ARG 8 HH21 ARG 8 5.962 -6.919 2.948
72 2HH2 ARG 8 HH22 ARG 8 5.317 -8.443 3.460
73 H GLY 9 HN GLY 9 5.960 -4.809 -3.494
74 1HA GLY 9 HA2 GLY 9 7.155 -3.878 -5.998
75 2HA GLY 9 HA1 GLY 9 6.595 -5.550 -6.060
76 H SER 10 HN SER 10 4.315 -5.277 -4.375
77 HA SER 10 HA SER 10 2.545 -3.166 -4.906
78 1HB SER 10 HB2 SER 10 3.162 -4.871 -7.214
79 2HB SER 10 HB1 SER 10 1.433 -4.720 -6.913
80 HG SER 10 HG SER 10 3.310 -2.812 -7.663
81 HA PRO 11 HA PRO 11 -0.071 -7.203 -4.233
82 1HB PRO 11 HB2 PRO 11 1.797 -9.350 -3.800
83 2HB PRO 11 HB1 PRO 11 0.586 -9.201 -5.077
84 1HG PRO 11 HG2 PRO 11 3.432 -8.979 -5.327
85 2HG PRO 11 HG1 PRO 11 2.215 -8.804 -6.594
86 1HD PRO 11 HD2 PRO 11 3.824 -6.740 -5.383
87 2HD PRO 11 HD1 PRO 11 2.609 -6.565 -6.670
88 H GLU 12 HN GLU 12 2.829 -6.186 -2.722
89 HA GLU 12 HA GLU 12 2.201 -7.416 -0.100
90 1HB GLU 12 HB2 GLU 12 4.493 -6.624 -1.487
91 2HB GLU 12 HB1 GLU 12 4.320 -5.407 -0.222
92 1HG GLU 12 HG2 GLU 12 5.594 -7.140 0.784
93 2HG GLU 12 HG1 GLU 12 3.954 -7.378 1.389
94 H CYS 13 HN CYS 13 2.535 -4.146 -1.518
95 HA CYS 13 HA CYS 13 1.670 -2.717 0.827
96 1HB CYS 13 HB2 CYS 13 2.862 -1.460 -0.737
97 2HB CYS 13 HB1 CYS 13 2.056 -2.212 -2.108
98 H LEU 14 HN LEU 14 -0.046 -4.578 -1.527
99 HA LEU 14 HA LEU 14 -2.577 -3.172 -1.394
100 1HB LEU 14 HB2 LEU 14 -1.395 -5.558 -2.597
101 2HB LEU 14 HB1 LEU 14 -3.062 -5.827 -2.089
102 HG LEU 14 HG LEU 14 -2.300 -3.351 -3.628
103 1HD1 LEU 14 HD11 LEU 14 -2.080 -6.023 -4.587
104 2HD1 LEU 14 HD12 LEU 14 -1.965 -4.527 -5.515
105 3HD1 LEU 14 HD13 LEU 14 -3.526 -5.323 -5.314
106 1HD2 LEU 14 HD21 LEU 14 -4.497 -2.965 -3.274
107 2HD2 LEU 14 HD22 LEU 14 -4.710 -4.566 -2.563
108 3HD2 LEU 14 HD23 LEU 14 -4.845 -4.350 -4.309
109 HA PRO 15 HA PRO 15 -3.815 -6.756 1.651
110 1HB PRO 15 HB2 PRO 15 -1.369 -7.797 2.751
111 2HB PRO 15 HB1 PRO 15 -2.585 -8.655 1.801
112 1HG PRO 15 HG2 PRO 15 0.050 -7.834 0.984
113 2HG PRO 15 HG1 PRO 15 -1.149 -8.738 0.056
114 1HD PRO 15 HD2 PRO 15 -0.321 -6.023 -0.354
115 2HD PRO 15 HD1 PRO 15 -1.598 -6.910 -1.216
116 H LYS 16 HN LYS 16 -0.638 -5.267 2.399
117 HA LYS 16 HA LYS 16 -1.131 -4.737 5.157
118 1HB LYS 16 HB2 LYS 16 0.516 -3.138 3.170
119 2HB LYS 16 HB1 LYS 16 0.782 -3.250 4.911
120 1HG LYS 16 HG2 LYS 16 0.660 -5.871 3.598
121 2HG LYS 16 HG1 LYS 16 1.980 -4.863 3.006
122 1HD LYS 16 HD2 LYS 16 1.414 -5.560 5.902
123 2HD LYS 16 HD1 LYS 16 2.750 -6.165 4.924
124 1HE LYS 16 HE2 LYS 16 3.968 -4.379 5.605
125 2HE LYS 16 HE1 LYS 16 2.836 -3.331 4.726
126 1HZ LYS 16 HZ1 LYS 16 1.580 -2.961 6.577
127 2HZ LYS 16 HZ2 LYS 16 3.095 -3.151 7.322
128 3HZ LYS 16 HZ3 LYS 16 1.988 -4.440 7.301
129 H CYS 17 HN CYS 17 -1.853 -2.832 2.233
130 HA CYS 17 HA CYS 17 -2.737 -0.449 3.569
131 1HB CYS 17 HB2 CYS 17 -2.128 -0.787 1.134
132 2HB CYS 17 HB1 CYS 17 -3.674 -1.612 0.929
133 H LYS 18 HN LYS 18 -4.520 -3.315 2.380
134 HA LYS 18 HA LYS 18 -7.151 -2.505 3.009
135 1HB LYS 18 HB2 LYS 18 -6.419 -4.543 1.756
136 2HB LYS 18 HB1 LYS 18 -5.881 -5.252 3.278
137 1HG LYS 18 HG2 LYS 18 -8.098 -5.353 4.137
138 2HG LYS 18 HG1 LYS 18 -8.715 -4.278 2.881
139 1HD LYS 18 HD2 LYS 18 -9.356 -6.548 2.318
140 2HD LYS 18 HD1 LYS 18 -8.115 -6.024 1.180
141 1HE LYS 18 HE2 LYS 18 -7.411 -8.200 1.844
142 2HE LYS 18 HE1 LYS 18 -6.433 -7.114 2.850
143 1HZ LYS 18 HZ1 LYS 18 -8.530 -8.912 3.630
144 2HZ LYS 18 HZ2 LYS 18 -8.778 -7.336 4.216
145 3HZ LYS 18 HZ3 LYS 18 -7.342 -8.167 4.582
146 H GLU 19 HN GLU 19 -4.697 -4.055 5.082
147 HA GLU 19 HA GLU 19 -6.442 -4.160 7.418
148 1HB GLU 19 HB2 GLU 19 -3.835 -5.052 6.540
149 2HB GLU 19 HB1 GLU 19 -3.708 -4.320 8.140
150 1HG GLU 19 HG2 GLU 19 -5.836 -5.747 8.677
151 2HG GLU 19 HG1 GLU 19 -5.336 -6.695 7.276
152 H ALA 20 HN ALA 20 -4.466 -1.748 5.935
153 HA ALA 20 HA ALA 20 -4.249 -0.167 8.452
154 1HB ALA 20 HB1 ALA 20 -2.985 1.294 6.591
155 2HB ALA 20 HB2 ALA 20 -2.952 -0.263 5.763
156 3HB ALA 20 HB3 ALA 20 -2.214 -0.094 7.356
157 H ILE 21 HN ILE 21 -5.250 0.376 5.043
158 HA ILE 21 HA ILE 21 -6.787 2.757 5.845
159 HB ILE 21 HB ILE 21 -5.322 2.202 3.700
160 1HG1 ILE 21 HG12 ILE 21 -7.846 3.585 2.963
161 2HG1 ILE 21 HG11 ILE 21 -7.010 4.201 4.390
162 1HG2 ILE 21 HG21 ILE 21 -6.527 1.343 1.840
163 2HG2 ILE 21 HG22 ILE 21 -8.069 1.450 2.689
164 3HG2 ILE 21 HG23 ILE 21 -6.883 0.234 3.165
165 1HD1 ILE 21 HD11 ILE 21 -5.844 5.399 2.823
166 2HD1 ILE 21 HD12 ILE 21 -6.165 4.232 1.541
167 3HD1 ILE 21 HD13 ILE 21 -4.900 3.914 2.726
168 H GLY 22 HN GLY 22 -7.372 -0.619 5.379
169 1HA GLY 22 HA2 GLY 22 -9.517 -1.495 6.269
170 2HA GLY 22 HA1 GLY 22 -10.311 -0.093 5.553
171 H LYS 23 HN LYS 23 -8.808 -0.241 3.043
172 HA LYS 23 HA LYS 23 -9.788 -2.837 1.917
173 1HB LYS 23 HB2 LYS 23 -11.346 -0.758 1.743
174 2HB LYS 23 HB1 LYS 23 -10.186 -0.177 0.548
175 1HG LYS 23 HG2 LYS 23 -11.790 -1.345 -0.738
176 2HG LYS 23 HG1 LYS 23 -10.461 -2.492 -0.566
177 1HD LYS 23 HD2 LYS 23 -12.090 -3.913 0.150
178 2HD LYS 23 HD1 LYS 23 -11.919 -3.047 1.677
179 1HE LYS 23 HE2 LYS 23 -14.259 -2.979 1.210
180 2HE LYS 23 HE1 LYS 23 -13.667 -1.388 0.692
181 1HZ LYS 23 HZ1 LYS 23 -15.034 -2.563 -1.009
182 2HZ LYS 23 HZ2 LYS 23 -13.823 -3.753 -1.096
183 3HZ LYS 23 HZ3 LYS 23 -13.477 -2.150 -1.539
184 H ALA 24 HN ALA 24 -8.307 -3.725 0.513
185 HA ALA 24 HA ALA 24 -5.711 -2.543 0.127
186 1HB ALA 24 HB1 ALA 24 -5.309 -4.691 -0.456
187 2HB ALA 24 HB2 ALA 24 -6.437 -4.583 -1.808
188 3HB ALA 24 HB3 ALA 24 -7.025 -5.010 -0.201
189 H ALA 25 HN ALA 25 -6.065 -0.465 -0.889
190 HA ALA 25 HA ALA 25 -6.681 -0.668 -3.808
191 1HB ALA 25 HB1 ALA 25 -8.280 0.500 -1.737
192 2HB ALA 25 HB2 ALA 25 -8.598 0.475 -3.472
193 3HB ALA 25 HB3 ALA 25 -7.676 1.801 -2.763
194 H GLY 26 HN GLY 26 -4.137 -0.577 -3.422
195 1HA GLY 26 HA2 GLY 26 -3.320 2.163 -4.061
196 2HA GLY 26 HA1 GLY 26 -2.649 1.546 -2.549
197 H LYS 27 HN LYS 27 -0.581 1.885 -3.881
198 HA LYS 27 HA LYS 27 0.075 -0.695 -5.238
199 1HB LYS 27 HB2 LYS 27 0.955 1.993 -6.305
200 2HB LYS 27 HB1 LYS 27 0.951 0.439 -7.136
201 1HG LYS 27 HG2 LYS 27 -1.468 0.418 -7.225
202 2HG LYS 27 HG1 LYS 27 -1.562 1.859 -6.214
203 1HD LYS 27 HD2 LYS 27 -1.874 2.379 -8.630
204 2HD LYS 27 HD1 LYS 27 -0.464 3.189 -7.946
205 1HE LYS 27 HE2 LYS 27 0.031 0.487 -9.091
206 2HE LYS 27 HE1 LYS 27 -0.336 1.778 -10.251
207 1HZ LYS 27 HZ1 LYS 27 1.895 2.121 -9.929
208 2HZ LYS 27 HZ2 LYS 27 1.866 1.595 -8.314
209 3HZ LYS 27 HZ3 LYS 27 1.262 3.130 -8.722
210 H CYS 28 HN CYS 28 2.562 -0.806 -5.539
211 HA CYS 28 HA CYS 28 3.862 0.360 -3.105
212 1HB CYS 28 HB2 CYS 28 3.819 -2.009 -2.983
213 2HB CYS 28 HB1 CYS 28 4.185 -2.185 -4.698
214 H MET 29 HN MET 29 5.819 1.490 -3.369
215 HA MET 29 HA MET 29 7.094 1.561 -6.052
216 1HB MET 29 HB2 MET 29 5.215 3.239 -5.939
217 2HB MET 29 HB1 MET 29 6.079 4.036 -4.623
218 1HG MET 29 HG2 MET 29 6.958 5.249 -6.362
219 2HG MET 29 HG1 MET 29 8.082 3.891 -6.415
220 1HE MET 29 HE1 MET 29 5.825 6.073 -8.499
221 2HE MET 29 HE2 MET 29 6.543 5.416 -9.967
222 3HE MET 29 HE3 MET 29 7.579 5.886 -8.621
223 H ASN 30 HN ASN 30 9.228 1.255 -5.564
224 HA ASN 30 HA ASN 30 11.318 1.485 -4.496
225 1HB ASN 30 HB2 ASN 30 9.840 4.057 -4.016
226 2HB ASN 30 HB1 ASN 30 11.434 3.822 -3.296
227 1HD2 ASN 30 HD21 ASN 30 11.837 5.731 -4.947
228 2HD2 ASN 30 HD22 ASN 30 12.328 5.269 -6.505
229 H GLY 31 HN GLY 31 9.177 0.074 -3.026
230 1HA GLY 31 HA2 GLY 31 9.158 -0.973 -0.902
231 2HA GLY 31 HA1 GLY 31 10.440 0.122 -0.388
232 H LYS 32 HN LYS 32 7.558 1.454 -1.822
233 HA LYS 32 HA LYS 32 6.630 2.291 0.909
234 1HB LYS 32 HB2 LYS 32 7.260 3.806 -1.588
235 2HB LYS 32 HB1 LYS 32 5.893 4.369 -0.628
236 1HG LYS 32 HG2 LYS 32 7.692 3.985 1.349
237 2HG LYS 32 HG1 LYS 32 8.792 4.371 0.025
238 1HD LYS 32 HD2 LYS 32 8.178 6.436 1.150
239 2HD LYS 32 HD1 LYS 32 7.426 6.416 -0.445
240 1HE LYS 32 HE2 LYS 32 5.804 5.204 1.729
241 2HE LYS 32 HE1 LYS 32 6.037 6.959 1.831
242 1HZ LYS 32 HZ1 LYS 32 4.466 5.478 -0.019
243 2HZ LYS 32 HZ2 LYS 32 5.624 6.405 -0.844
244 3HZ LYS 32 HZ3 LYS 32 4.533 7.154 0.220
245 H CYS 33 HN CYS 33 4.316 2.549 1.095
246 HA CYS 33 HA CYS 33 2.786 1.066 -1.007
247 1HB CYS 33 HB2 CYS 33 2.926 0.193 1.338
248 2HB CYS 33 HB1 CYS 33 2.140 1.667 1.897
249 H LYS 34 HN LYS 34 1.582 2.375 -2.322
250 HA LYS 34 HA LYS 34 0.671 5.026 -1.267
251 1HB LYS 34 HB2 LYS 34 1.287 3.880 -3.994
252 2HB LYS 34 HB1 LYS 34 0.394 5.391 -3.817
253 1HG LYS 34 HG2 LYS 34 2.335 6.125 -2.270
254 2HG LYS 34 HG1 LYS 34 3.225 4.777 -2.979
255 1HD LYS 34 HD2 LYS 34 1.871 6.933 -4.622
256 2HD LYS 34 HD1 LYS 34 3.573 6.983 -4.161
257 1HE LYS 34 HE2 LYS 34 3.237 4.409 -5.207
258 2HE LYS 34 HE1 LYS 34 2.303 5.455 -6.295
259 1HZ LYS 34 HZ1 LYS 34 4.120 6.734 -6.790
260 2HZ LYS 34 HZ2 LYS 34 4.874 5.225 -6.592
261 3HZ LYS 34 HZ3 LYS 34 4.924 6.373 -5.341
262 H CYS 35 HN CYS 35 -1.459 5.007 -0.642
263 HA CYS 35 HA CYS 35 -3.366 3.283 -2.196
264 1HB CYS 35 HB2 CYS 35 -3.229 4.067 0.731
265 2HB CYS 35 HB1 CYS 35 -4.627 3.266 0.013
266 H TYR 36 HN TYR 36 -5.260 4.304 -2.914
267 HA TYR 36 HA TYR 36 -5.270 7.224 -2.926
268 1HB TYR 36 HB2 TYR 36 -6.606 4.963 -4.253
269 2HB TYR 36 HB1 TYR 36 -7.645 6.373 -4.033
270 HD1 TYR 36 HD1 TYR 36 -4.005 5.838 -4.808
271 HD2 TYR 36 HD2 TYR 36 -7.693 7.748 -5.908
272 HE1 TYR 36 HE1 TYR 36 -2.855 6.976 -6.688
273 HE2 TYR 36 HE2 TYR 36 -6.543 8.885 -7.788
274 HH TYR 36 HH TYR 36 -4.607 8.705 -9.135
275 HA PRO 37 HA PRO 37 -9.377 6.533 -0.438
276 1HB PRO 37 HB2 PRO 37 -9.175 3.962 0.837
277 2HB PRO 37 HB1 PRO 37 -10.378 4.501 -0.338
278 1HG PRO 37 HG2 PRO 37 -8.256 2.622 -0.744
279 2HG PRO 37 HG1 PRO 37 -9.437 3.192 -1.926
280 1HD PRO 37 HD2 PRO 37 -6.621 3.824 -1.773
281 2HD PRO 37 HD1 PRO 37 -7.804 4.366 -2.988
Start of MODEL 14
1 1H VAL 1 HT1 VAL 1 -3.807 7.486 0.304
2 2H VAL 1 HT2 VAL 1 -3.013 8.222 -1.004
3 3H VAL 1 HT3 VAL 1 -4.041 9.136 -0.006
4 HA VAL 1 HA VAL 1 -1.770 9.641 0.577
5 HB VAL 1 HB VAL 1 -1.988 8.962 2.975
6 1HG1 VAL 1 HG11 VAL 1 -4.770 9.509 2.611
7 2HG1 VAL 1 HG12 VAL 1 -3.876 10.386 1.369
8 3HG1 VAL 1 HG13 VAL 1 -3.491 10.632 3.071
9 1HG2 VAL 1 HG21 VAL 1 -3.181 7.141 3.607
10 2HG2 VAL 1 HG22 VAL 1 -3.174 6.691 1.903
11 3HG2 VAL 1 HG23 VAL 1 -4.542 7.578 2.574
12 H PHE 2 HN PHE 2 0.198 8.680 1.755
13 HA PHE 2 HA PHE 2 0.762 5.924 0.701
14 1HB PHE 2 HB2 PHE 2 2.605 8.302 1.111
15 2HB PHE 2 HB1 PHE 2 3.077 6.745 0.432
16 HD1 PHE 2 HD1 PHE 2 2.929 6.391 -1.878
17 HD2 PHE 2 HD2 PHE 2 0.625 9.531 -0.069
18 HE1 PHE 2 HE1 PHE 2 2.200 7.150 -4.124
19 HE2 PHE 2 HE2 PHE 2 -0.103 10.290 -2.313
20 HZ PHE 2 HZ PHE 2 0.684 9.100 -4.341
21 H ILE 3 HN ILE 3 2.386 4.712 2.010
22 HA ILE 3 HA ILE 3 2.545 5.602 4.863
23 HB ILE 3 HB ILE 3 2.246 2.723 4.616
24 1HG1 ILE 3 HG12 ILE 3 -0.069 4.382 3.556
25 2HG1 ILE 3 HG11 ILE 3 0.926 3.298 2.584
26 1HG2 ILE 3 HG21 ILE 3 0.943 3.016 6.484
27 2HG2 ILE 3 HG22 ILE 3 0.153 4.456 5.840
28 3HG2 ILE 3 HG23 ILE 3 1.783 4.567 6.503
29 1HD1 ILE 3 HD11 ILE 3 -0.070 1.423 3.419
30 2HD1 ILE 3 HD12 ILE 3 -1.387 2.532 3.802
31 3HD1 ILE 3 HD13 ILE 3 -0.209 2.101 5.041
32 H ASN 4 HN ASN 4 4.425 4.826 5.957
33 HA ASN 4 HA ASN 4 6.643 4.053 4.156
34 1HB ASN 4 HB2 ASN 4 8.014 4.777 5.978
35 2HB ASN 4 HB1 ASN 4 6.650 5.894 5.944
36 1HD2 ASN 4 HD21 ASN 4 8.176 5.385 8.345
37 2HD2 ASN 4 HD22 ASN 4 7.152 4.616 9.459
38 H ALA 5 HN ALA 5 4.797 1.951 4.430
39 HA ALA 5 HA ALA 5 5.625 0.136 6.575
40 1HB ALA 5 HB1 ALA 5 4.137 -0.688 4.102
41 2HB ALA 5 HB2 ALA 5 3.368 0.441 5.217
42 3HB ALA 5 HB3 ALA 5 3.856 -1.158 5.778
43 H LYS 6 HN LYS 6 7.312 1.154 3.990
44 HA LYS 6 HA LYS 6 9.037 0.224 2.668
45 1HB LYS 6 HB2 LYS 6 8.883 -1.446 5.175
46 2HB LYS 6 HB1 LYS 6 10.093 -1.793 3.939
47 1HG LYS 6 HG2 LYS 6 9.726 0.994 5.037
48 2HG LYS 6 HG1 LYS 6 10.775 -0.178 5.834
49 1HD LYS 6 HD2 LYS 6 12.249 -0.294 4.010
50 2HD LYS 6 HD1 LYS 6 11.050 0.341 2.882
51 1HE LYS 6 HE2 LYS 6 11.149 2.526 4.228
52 2HE LYS 6 HE1 LYS 6 12.608 1.860 4.987
53 1HZ LYS 6 HZ1 LYS 6 13.272 1.306 2.579
54 2HZ LYS 6 HZ2 LYS 6 13.445 2.909 3.114
55 3HZ LYS 6 HZ3 LYS 6 12.122 2.473 2.141
56 H CYS 7 HN CYS 7 6.577 -0.447 1.638
57 HA CYS 7 HA CYS 7 5.875 -3.176 1.424
58 1HB CYS 7 HB2 CYS 7 4.820 -2.421 -0.695
59 2HB CYS 7 HB1 CYS 7 4.560 -1.257 0.605
60 H ARG 8 HN ARG 8 6.479 -4.800 -0.114
61 HA ARG 8 HA ARG 8 9.160 -4.354 -1.379
62 1HB ARG 8 HB2 ARG 8 7.740 -6.647 -0.064
63 2HB ARG 8 HB1 ARG 8 8.970 -7.000 -1.280
64 1HG ARG 8 HG2 ARG 8 10.686 -6.055 -0.018
65 2HG ARG 8 HG1 ARG 8 9.583 -5.028 0.898
66 1HD ARG 8 HD2 ARG 8 8.643 -7.449 1.658
67 2HD ARG 8 HD1 ARG 8 10.345 -7.865 1.372
68 HE ARG 8 HE ARG 8 9.428 -5.697 3.220
69 1HH1 ARG 8 HH21 ARG 8 10.550 -8.126 4.453
70 2HH1 ARG 8 HH22 ARG 8 12.226 -7.733 4.640
71 1HH2 ARG 8 HH11 ARG 8 12.127 -5.079 2.412
72 2HH2 ARG 8 HH12 ARG 8 13.118 -6.006 3.487
73 H GLY 9 HN GLY 9 5.833 -5.269 -1.959
74 1HA GLY 9 HA2 GLY 9 6.426 -5.359 -4.868
75 2HA GLY 9 HA1 GLY 9 5.561 -6.722 -4.156
76 H SER 10 HN SER 10 4.606 -4.781 -6.167
77 HA SER 10 HA SER 10 2.836 -2.845 -5.073
78 1HB SER 10 HB2 SER 10 1.942 -4.241 -7.505
79 2HB SER 10 HB1 SER 10 2.361 -2.548 -7.273
80 HG SER 10 HG SER 10 3.778 -4.101 -8.598
81 HA PRO 11 HA PRO 11 -0.573 -6.297 -5.331
82 1HB PRO 11 HB2 PRO 11 0.763 -8.825 -5.016
83 2HB PRO 11 HB1 PRO 11 -0.187 -8.261 -6.392
84 1HG PRO 11 HG2 PRO 11 2.638 -8.639 -6.279
85 2HG PRO 11 HG1 PRO 11 1.693 -7.985 -7.621
86 1HD PRO 11 HD2 PRO 11 3.470 -6.575 -5.806
87 2HD PRO 11 HD1 PRO 11 2.623 -5.939 -7.238
88 H GLU 12 HN GLU 12 2.369 -7.071 -3.460
89 HA GLU 12 HA GLU 12 1.111 -8.166 -1.152
90 1HB GLU 12 HB2 GLU 12 3.687 -7.293 -2.061
91 2HB GLU 12 HB1 GLU 12 3.427 -6.655 -0.438
92 1HG GLU 12 HG2 GLU 12 2.498 -9.392 -0.602
93 2HG GLU 12 HG1 GLU 12 4.180 -9.282 -1.122
94 H CYS 13 HN CYS 13 1.478 -4.847 -2.240
95 HA CYS 13 HA CYS 13 1.009 -3.536 0.280
96 1HB CYS 13 HB2 CYS 13 1.406 -2.919 -2.497
97 2HB CYS 13 HB1 CYS 13 0.020 -2.000 -1.910
98 H LEU 14 HN LEU 14 -1.136 -4.931 -2.157
99 HA LEU 14 HA LEU 14 -3.574 -3.677 -1.510
100 1HB LEU 14 HB2 LEU 14 -2.597 -6.082 -2.824
101 2HB LEU 14 HB1 LEU 14 -4.128 -6.385 -2.004
102 HG LEU 14 HG LEU 14 -4.974 -4.232 -3.105
103 1HD1 LEU 14 HD11 LEU 14 -3.502 -4.136 -5.409
104 2HD1 LEU 14 HD12 LEU 14 -2.245 -4.453 -4.214
105 3HD1 LEU 14 HD13 LEU 14 -3.280 -3.036 -4.050
106 1HD2 LEU 14 HD21 LEU 14 -4.963 -6.868 -3.946
107 2HD2 LEU 14 HD22 LEU 14 -4.371 -6.006 -5.366
108 3HD2 LEU 14 HD23 LEU 14 -5.930 -5.579 -4.662
109 HA PRO 15 HA PRO 15 -4.326 -7.123 1.847
110 1HB PRO 15 HB2 PRO 15 -1.734 -8.144 2.567
111 2HB PRO 15 HB1 PRO 15 -3.094 -9.030 1.872
112 1HG PRO 15 HG2 PRO 15 -0.630 -8.257 0.588
113 2HG PRO 15 HG1 PRO 15 -1.959 -9.211 -0.077
114 1HD PRO 15 HD2 PRO 15 -1.233 -6.535 -0.777
115 2HD PRO 15 HD1 PRO 15 -2.655 -7.452 -1.336
116 H LYS 16 HN LYS 16 -1.052 -5.666 1.975
117 HA LYS 16 HA LYS 16 -1.064 -4.961 4.740
118 1HB LYS 16 HB2 LYS 16 0.358 -4.198 2.235
119 2HB LYS 16 HB1 LYS 16 0.505 -3.079 3.592
120 1HG LYS 16 HG2 LYS 16 1.180 -5.023 5.035
121 2HG LYS 16 HG1 LYS 16 1.200 -6.029 3.585
122 1HD LYS 16 HD2 LYS 16 2.724 -4.024 2.682
123 2HD LYS 16 HD1 LYS 16 3.064 -3.848 4.404
124 1HE LYS 16 HE2 LYS 16 3.137 -6.650 3.600
125 2HE LYS 16 HE1 LYS 16 4.299 -5.672 2.681
126 1HZ LYS 16 HZ1 LYS 16 4.770 -6.537 5.157
127 2HZ LYS 16 HZ2 LYS 16 4.049 -5.038 5.507
128 3HZ LYS 16 HZ3 LYS 16 5.437 -5.110 4.529
129 H CYS 17 HN CYS 17 -1.964 -3.039 1.856
130 HA CYS 17 HA CYS 17 -2.705 -0.647 3.204
131 1HB CYS 17 HB2 CYS 17 -2.364 -1.111 0.723
132 2HB CYS 17 HB1 CYS 17 -3.973 -1.834 0.720
133 H LYS 18 HN LYS 18 -4.550 -3.604 2.505
134 HA LYS 18 HA LYS 18 -7.144 -2.717 3.248
135 1HB LYS 18 HB2 LYS 18 -6.869 -4.821 2.172
136 2HB LYS 18 HB1 LYS 18 -5.664 -5.352 3.346
137 1HG LYS 18 HG2 LYS 18 -7.239 -6.072 4.807
138 2HG LYS 18 HG1 LYS 18 -8.243 -4.643 4.560
139 1HD LYS 18 HD2 LYS 18 -8.498 -5.923 2.144
140 2HD LYS 18 HD1 LYS 18 -8.387 -7.284 3.261
141 1HE LYS 18 HE2 LYS 18 -10.700 -6.807 3.259
142 2HE LYS 18 HE1 LYS 18 -10.131 -5.906 4.679
143 1HZ LYS 18 HZ1 LYS 18 -9.717 -4.008 3.113
144 2HZ LYS 18 HZ2 LYS 18 -11.355 -4.379 3.371
145 3HZ LYS 18 HZ3 LYS 18 -10.587 -4.867 1.937
146 H GLU 19 HN GLU 19 -4.592 -4.238 5.248
147 HA GLU 19 HA GLU 19 -6.092 -4.006 7.725
148 1HB GLU 19 HB2 GLU 19 -3.950 -5.421 6.822
149 2HB GLU 19 HB1 GLU 19 -3.124 -4.160 7.739
150 1HG GLU 19 HG2 GLU 19 -5.478 -5.486 9.016
151 2HG GLU 19 HG1 GLU 19 -3.975 -6.403 8.912
152 H ALA 20 HN ALA 20 -3.921 -1.921 5.930
153 HA ALA 20 HA ALA 20 -3.221 -0.152 8.113
154 1HB ALA 20 HB1 ALA 20 -2.145 -0.575 5.782
155 2HB ALA 20 HB2 ALA 20 -2.164 1.079 6.395
156 3HB ALA 20 HB3 ALA 20 -3.345 0.573 5.187
157 H ILE 21 HN ILE 21 -5.658 0.031 5.494
158 HA ILE 21 HA ILE 21 -7.039 2.174 7.081
159 HB ILE 21 HB ILE 21 -7.793 2.878 4.701
160 1HG1 ILE 21 HG12 ILE 21 -5.359 1.205 3.998
161 2HG1 ILE 21 HG11 ILE 21 -7.022 0.731 3.651
162 1HG2 ILE 21 HG21 ILE 21 -5.480 3.449 6.261
163 2HG2 ILE 21 HG22 ILE 21 -6.277 4.494 5.086
164 3HG2 ILE 21 HG23 ILE 21 -4.978 3.419 4.571
165 1HD1 ILE 21 HD11 ILE 21 -5.374 2.901 2.420
166 2HD1 ILE 21 HD12 ILE 21 -7.116 3.148 2.548
167 3HD1 ILE 21 HD13 ILE 21 -6.483 1.766 1.653
168 H GLY 22 HN GLY 22 -7.380 -0.710 5.057
169 1HA GLY 22 HA2 GLY 22 -9.223 -2.271 5.684
170 2HA GLY 22 HA1 GLY 22 -10.241 -0.852 5.921
171 H LYS 23 HN LYS 23 -8.097 -0.734 3.230
172 HA LYS 23 HA LYS 23 -10.195 -1.714 1.354
173 1HB LYS 23 HB2 LYS 23 -9.787 0.982 2.066
174 2HB LYS 23 HB1 LYS 23 -9.051 0.802 0.472
175 1HG LYS 23 HG2 LYS 23 -11.386 -0.614 0.174
176 2HG LYS 23 HG1 LYS 23 -11.889 0.690 1.250
177 1HD LYS 23 HD2 LYS 23 -10.158 1.542 -0.985
178 2HD LYS 23 HD1 LYS 23 -11.738 0.924 -1.471
179 1HE LYS 23 HE2 LYS 23 -12.845 2.498 0.083
180 2HE LYS 23 HE1 LYS 23 -11.257 3.127 0.569
181 1HZ LYS 23 HZ1 LYS 23 -12.301 3.067 -2.214
182 2HZ LYS 23 HZ2 LYS 23 -10.795 3.681 -1.728
183 3HZ LYS 23 HZ3 LYS 23 -12.227 4.447 -1.231
184 H ALA 24 HN ALA 24 -9.177 -2.965 -0.162
185 HA ALA 24 HA ALA 24 -6.253 -2.942 -0.399
186 1HB ALA 24 HB1 ALA 24 -7.785 -4.475 -2.364
187 2HB ALA 24 HB2 ALA 24 -8.349 -4.752 -0.716
188 3HB ALA 24 HB3 ALA 24 -6.661 -5.049 -1.131
189 H ALA 25 HN ALA 25 -6.112 -0.671 -1.250
190 HA ALA 25 HA ALA 25 -6.308 -0.666 -4.213
191 1HB ALA 25 HB1 ALA 25 -7.289 1.842 -3.364
192 2HB ALA 25 HB2 ALA 25 -8.125 0.643 -2.376
193 3HB ALA 25 HB3 ALA 25 -8.211 0.551 -4.136
194 H GLY 26 HN GLY 26 -3.882 -0.801 -3.391
195 1HA GLY 26 HA2 GLY 26 -2.784 1.911 -3.649
196 2HA GLY 26 HA1 GLY 26 -2.413 1.113 -2.121
197 H LYS 27 HN LYS 27 -0.543 1.868 -4.264
198 HA LYS 27 HA LYS 27 0.409 -0.848 -5.107
199 1HB LYS 27 HB2 LYS 27 1.052 1.885 -6.257
200 2HB LYS 27 HB1 LYS 27 1.437 0.321 -6.976
201 1HG LYS 27 HG2 LYS 27 -1.180 -0.049 -6.767
202 2HG LYS 27 HG1 LYS 27 -1.206 1.716 -6.774
203 1HD LYS 27 HD2 LYS 27 0.604 0.756 -8.808
204 2HD LYS 27 HD1 LYS 27 -0.977 0.003 -9.012
205 1HE LYS 27 HE2 LYS 27 -1.899 1.948 -9.730
206 2HE LYS 27 HE1 LYS 27 -1.183 2.859 -8.386
207 1HZ LYS 27 HZ1 LYS 27 0.236 1.954 -10.837
208 2HZ LYS 27 HZ2 LYS 27 0.962 2.754 -9.526
209 3HZ LYS 27 HZ3 LYS 27 -0.198 3.553 -10.476
210 H CYS 28 HN CYS 28 2.972 -0.647 -5.480
211 HA CYS 28 HA CYS 28 4.121 0.632 -3.018
212 1HB CYS 28 HB2 CYS 28 4.040 -1.786 -2.839
213 2HB CYS 28 HB1 CYS 28 4.748 -1.971 -4.444
214 H MET 29 HN MET 29 5.966 1.884 -3.330
215 HA MET 29 HA MET 29 7.401 1.724 -5.931
216 1HB MET 29 HB2 MET 29 5.614 3.317 -6.315
217 2HB MET 29 HB1 MET 29 5.973 4.149 -4.804
218 1HG MET 29 HG2 MET 29 8.403 4.066 -6.248
219 2HG MET 29 HG1 MET 29 7.160 4.546 -7.404
220 1HE MET 29 HE1 MET 29 9.613 5.927 -6.491
221 2HE MET 29 HE2 MET 29 9.357 7.506 -5.752
222 3HE MET 29 HE3 MET 29 8.703 7.176 -7.354
223 H ASN 30 HN ASN 30 9.511 1.536 -5.292
224 HA ASN 30 HA ASN 30 11.552 2.081 -4.227
225 1HB ASN 30 HB2 ASN 30 10.076 4.415 -4.527
226 2HB ASN 30 HB1 ASN 30 10.501 4.421 -2.815
227 1HD2 ASN 30 HD21 ASN 30 11.702 5.088 -5.957
228 2HD2 ASN 30 HD22 ASN 30 13.342 5.249 -5.547
229 H GLY 31 HN GLY 31 8.854 1.038 -2.723
230 1HA GLY 31 HA2 GLY 31 9.096 -0.319 -0.686
231 2HA GLY 31 HA1 GLY 31 10.255 0.870 -0.093
232 H LYS 32 HN LYS 32 7.519 2.213 -1.658
233 HA LYS 32 HA LYS 32 6.275 2.792 1.012
234 1HB LYS 32 HB2 LYS 32 6.766 4.518 -1.432
235 2HB LYS 32 HB1 LYS 32 5.705 5.013 -0.113
236 1HG LYS 32 HG2 LYS 32 8.359 4.027 0.738
237 2HG LYS 32 HG1 LYS 32 8.387 5.530 -0.187
238 1HD LYS 32 HD2 LYS 32 6.627 6.438 1.356
239 2HD LYS 32 HD1 LYS 32 6.800 4.981 2.335
240 1HE LYS 32 HE2 LYS 32 9.326 5.561 2.411
241 2HE LYS 32 HE1 LYS 32 8.825 7.174 1.868
242 1HZ LYS 32 HZ1 LYS 32 7.674 7.568 3.764
243 2HZ LYS 32 HZ2 LYS 32 8.815 6.492 4.417
244 3HZ LYS 32 HZ3 LYS 32 7.262 5.941 4.000
245 H CYS 33 HN CYS 33 4.008 2.644 1.084
246 HA CYS 33 HA CYS 33 2.724 1.332 -1.249
247 1HB CYS 33 HB2 CYS 33 2.676 0.764 1.348
248 2HB CYS 33 HB1 CYS 33 1.357 1.934 1.348
249 H LYS 34 HN LYS 34 1.426 2.474 -2.628
250 HA LYS 34 HA LYS 34 0.648 5.252 -1.869
251 1HB LYS 34 HB2 LYS 34 0.459 3.866 -4.555
252 2HB LYS 34 HB1 LYS 34 0.507 5.600 -4.238
253 1HG LYS 34 HG2 LYS 34 2.801 5.487 -3.518
254 2HG LYS 34 HG1 LYS 34 2.775 3.724 -3.529
255 1HD LYS 34 HD2 LYS 34 3.897 4.542 -5.546
256 2HD LYS 34 HD1 LYS 34 2.375 3.767 -5.983
257 1HE LYS 34 HE2 LYS 34 1.371 6.183 -5.782
258 2HE LYS 34 HE1 LYS 34 3.056 6.702 -5.968
259 1HZ LYS 34 HZ1 LYS 34 1.366 5.889 -7.986
260 2HZ LYS 34 HZ2 LYS 34 2.423 4.579 -7.759
261 3HZ LYS 34 HZ3 LYS 34 3.041 6.124 -8.104
262 H CYS 35 HN CYS 35 -1.126 4.396 -0.460
263 HA CYS 35 HA CYS 35 -3.348 2.974 -1.775
264 1HB CYS 35 HB2 CYS 35 -2.795 4.088 0.985
265 2HB CYS 35 HB1 CYS 35 -4.324 3.314 0.569
266 H TYR 36 HN TYR 36 -5.394 3.921 -2.201
267 HA TYR 36 HA TYR 36 -5.361 6.788 -2.755
268 1HB TYR 36 HB2 TYR 36 -7.054 4.411 -3.270
269 2HB TYR 36 HB1 TYR 36 -7.905 5.958 -3.237
270 HD1 TYR 36 HD1 TYR 36 -7.778 7.438 -5.076
271 HD2 TYR 36 HD2 TYR 36 -4.955 4.220 -4.728
272 HE1 TYR 36 HE1 TYR 36 -6.914 7.949 -7.344
273 HE2 TYR 36 HE2 TYR 36 -4.091 4.730 -6.995
274 HH TYR 36 HH TYR 36 -4.854 7.610 -8.647
275 HA PRO 37 HA PRO 37 -8.973 6.833 0.512
276 1HB PRO 37 HB2 PRO 37 -8.612 4.500 2.157
277 2HB PRO 37 HB1 PRO 37 -10.005 4.923 1.157
278 1HG PRO 37 HG2 PRO 37 -7.998 2.900 0.670
279 2HG PRO 37 HG1 PRO 37 -9.459 3.247 -0.262
280 1HD PRO 37 HD2 PRO 37 -6.770 3.756 -1.049
281 2HD PRO 37 HD1 PRO 37 -8.250 4.287 -1.885
Start of MODEL 15
1 1H VAL 1 HT1 VAL 1 -2.799 9.736 0.932
2 2H VAL 1 HT2 VAL 1 -4.311 10.163 1.578
3 3H VAL 1 HT3 VAL 1 -4.148 8.746 0.655
4 HA VAL 1 HA VAL 1 -3.007 9.259 3.354
5 HB VAL 1 HB VAL 1 -5.171 7.518 2.150
6 1HG1 VAL 1 HG11 VAL 1 -4.733 5.952 3.707
7 2HG1 VAL 1 HG12 VAL 1 -5.046 7.156 4.957
8 3HG1 VAL 1 HG13 VAL 1 -3.406 6.920 4.351
9 1HG2 VAL 1 HG21 VAL 1 -6.281 9.416 2.787
10 2HG2 VAL 1 HG22 VAL 1 -5.008 9.904 3.906
11 3HG2 VAL 1 HG23 VAL 1 -6.186 8.682 4.387
12 H PHE 2 HN PHE 2 -0.857 8.828 2.224
13 HA PHE 2 HA PHE 2 -0.466 6.008 1.355
14 1HB PHE 2 HB2 PHE 2 1.138 8.570 1.284
15 2HB PHE 2 HB1 PHE 2 1.859 7.020 0.862
16 HD1 PHE 2 HD1 PHE 2 -1.491 6.674 -0.004
17 HD2 PHE 2 HD2 PHE 2 2.065 8.724 -1.279
18 HE1 PHE 2 HE1 PHE 2 -2.418 6.862 -2.293
19 HE2 PHE 2 HE2 PHE 2 1.134 8.911 -3.567
20 HZ PHE 2 HZ PHE 2 -1.108 7.982 -4.075
21 H ILE 3 HN ILE 3 1.457 4.854 2.265
22 HA ILE 3 HA ILE 3 2.058 5.670 5.087
23 HB ILE 3 HB ILE 3 1.715 3.381 5.761
24 1HG1 ILE 3 HG12 ILE 3 1.278 2.741 2.829
25 2HG1 ILE 3 HG11 ILE 3 2.766 2.393 3.709
26 1HG2 ILE 3 HG21 ILE 3 -0.330 4.806 5.345
27 2HG2 ILE 3 HG22 ILE 3 -0.624 3.069 5.243
28 3HG2 ILE 3 HG23 ILE 3 -0.476 4.026 3.769
29 1HD1 ILE 3 HD11 ILE 3 0.641 0.664 3.502
30 2HD1 ILE 3 HD12 ILE 3 0.322 1.443 5.052
31 3HD1 ILE 3 HD13 ILE 3 1.852 0.610 4.783
32 H ASN 4 HN ASN 4 4.204 5.280 5.730
33 HA ASN 4 HA ASN 4 6.155 4.945 3.586
34 1HB ASN 4 HB2 ASN 4 7.661 5.727 5.201
35 2HB ASN 4 HB1 ASN 4 6.140 6.437 5.737
36 1HD2 ASN 4 HD21 ASN 4 4.949 4.113 6.944
37 2HD2 ASN 4 HD22 ASN 4 5.880 3.684 8.295
38 H ALA 5 HN ALA 5 4.355 2.590 4.734
39 HA ALA 5 HA ALA 5 5.856 0.624 6.006
40 1HB ALA 5 HB1 ALA 5 3.558 0.275 5.423
41 2HB ALA 5 HB2 ALA 5 4.468 -0.939 4.526
42 3HB ALA 5 HB3 ALA 5 3.887 0.512 3.707
43 H LYS 6 HN LYS 6 6.874 -1.367 4.868
44 HA LYS 6 HA LYS 6 8.628 -0.403 2.630
45 1HB LYS 6 HB2 LYS 6 9.711 -0.796 4.813
46 2HB LYS 6 HB1 LYS 6 9.105 -2.452 4.808
47 1HG LYS 6 HG2 LYS 6 11.394 -2.495 4.014
48 2HG LYS 6 HG1 LYS 6 10.332 -2.819 2.644
49 1HD LYS 6 HD2 LYS 6 11.404 -1.135 1.588
50 2HD LYS 6 HD1 LYS 6 10.525 -0.047 2.664
51 1HE LYS 6 HE2 LYS 6 12.367 0.344 3.990
52 2HE LYS 6 HE1 LYS 6 13.005 -1.297 3.761
53 1HZ LYS 6 HZ1 LYS 6 13.118 -0.450 1.277
54 2HZ LYS 6 HZ2 LYS 6 14.392 -0.182 2.368
55 3HZ LYS 6 HZ3 LYS 6 13.274 1.055 2.043
56 H CYS 7 HN CYS 7 6.604 -1.269 1.384
57 HA CYS 7 HA CYS 7 5.841 -3.956 1.200
58 1HB CYS 7 HB2 CYS 7 5.494 -3.337 -1.272
59 2HB CYS 7 HB1 CYS 7 4.732 -2.273 -0.090
60 H ARG 8 HN ARG 8 6.519 -5.422 -0.789
61 HA ARG 8 HA ARG 8 9.516 -5.421 -0.980
62 1HB ARG 8 HB2 ARG 8 7.494 -7.604 -0.463
63 2HB ARG 8 HB1 ARG 8 9.117 -7.979 -1.044
64 1HG ARG 8 HG2 ARG 8 10.128 -7.313 0.922
65 2HG ARG 8 HG1 ARG 8 8.873 -6.129 1.289
66 1HD ARG 8 HD2 ARG 8 7.727 -7.632 2.544
67 2HD ARG 8 HD1 ARG 8 7.800 -8.846 1.250
68 HE ARG 8 HE ARG 8 9.646 -9.793 2.365
69 1HH1 ARG 8 HH21 ARG 8 8.841 -6.787 3.768
70 2HH1 ARG 8 HH22 ARG 8 10.323 -6.636 4.651
71 1HH2 ARG 8 HH11 ARG 8 11.758 -9.467 3.258
72 2HH2 ARG 8 HH12 ARG 8 11.975 -8.148 4.360
73 H GLY 9 HN GLY 9 6.563 -5.377 -2.693
74 1HA GLY 9 HA2 GLY 9 7.978 -5.585 -5.243
75 2HA GLY 9 HA1 GLY 9 6.866 -6.925 -4.949
76 H SER 10 HN SER 10 4.577 -6.265 -4.382
77 HA SER 10 HA SER 10 3.549 -3.653 -4.828
78 1HB SER 10 HB2 SER 10 4.380 -5.174 -7.184
79 2HB SER 10 HB1 SER 10 2.698 -4.658 -7.279
80 HG SER 10 HG SER 10 4.622 -2.838 -6.374
81 HA PRO 11 HA PRO 11 -0.052 -6.839 -5.549
82 1HB PRO 11 HB2 PRO 11 1.076 -9.455 -5.145
83 2HB PRO 11 HB1 PRO 11 0.314 -8.814 -6.603
84 1HG PRO 11 HG2 PRO 11 3.116 -9.314 -6.124
85 2HG PRO 11 HG1 PRO 11 2.340 -8.763 -7.612
86 1HD PRO 11 HD2 PRO 11 4.012 -7.233 -5.876
87 2HD PRO 11 HD1 PRO 11 3.093 -6.642 -7.281
88 H GLU 12 HN GLU 12 2.581 -7.015 -3.322
89 HA GLU 12 HA GLU 12 1.036 -8.310 -1.168
90 1HB GLU 12 HB2 GLU 12 3.791 -7.584 -1.821
91 2HB GLU 12 HB1 GLU 12 3.388 -7.211 -0.144
92 1HG GLU 12 HG2 GLU 12 2.854 -9.448 0.356
93 2HG GLU 12 HG1 GLU 12 2.653 -9.874 -1.344
94 H CYS 13 HN CYS 13 1.549 -5.119 -2.375
95 HA CYS 13 HA CYS 13 1.261 -3.658 0.112
96 1HB CYS 13 HB2 CYS 13 1.737 -3.184 -2.654
97 2HB CYS 13 HB1 CYS 13 0.341 -2.209 -2.196
98 H LEU 14 HN LEU 14 -1.033 -4.687 -2.433
99 HA LEU 14 HA LEU 14 -3.345 -3.336 -1.623
100 1HB LEU 14 HB2 LEU 14 -2.610 -5.513 -3.278
101 2HB LEU 14 HB1 LEU 14 -3.940 -6.085 -2.270
102 HG LEU 14 HG LEU 14 -5.342 -4.238 -2.944
103 1HD1 LEU 14 HD11 LEU 14 -4.082 -2.853 -4.942
104 2HD1 LEU 14 HD12 LEU 14 -2.746 -3.141 -3.826
105 3HD1 LEU 14 HD13 LEU 14 -4.193 -2.300 -3.270
106 1HD2 LEU 14 HD21 LEU 14 -5.623 -5.868 -4.569
107 2HD2 LEU 14 HD22 LEU 14 -3.934 -5.805 -5.073
108 3HD2 LEU 14 HD23 LEU 14 -5.052 -4.535 -5.571
109 HA PRO 15 HA PRO 15 -4.309 -6.949 1.487
110 1HB PRO 15 HB2 PRO 15 -1.781 -8.133 2.185
111 2HB PRO 15 HB1 PRO 15 -3.168 -8.907 1.414
112 1HG PRO 15 HG2 PRO 15 -0.650 -8.212 0.220
113 2HG PRO 15 HG1 PRO 15 -2.034 -9.002 -0.539
114 1HD PRO 15 HD2 PRO 15 -1.094 -6.320 -0.963
115 2HD PRO 15 HD1 PRO 15 -2.514 -7.100 -1.693
116 H LYS 16 HN LYS 16 -0.901 -5.890 1.933
117 HA LYS 16 HA LYS 16 -1.146 -5.228 4.701
118 1HB LYS 16 HB2 LYS 16 0.673 -4.443 2.424
119 2HB LYS 16 HB1 LYS 16 0.905 -3.763 4.034
120 1HG LYS 16 HG2 LYS 16 1.057 -6.046 4.973
121 2HG LYS 16 HG1 LYS 16 0.851 -6.718 3.355
122 1HD LYS 16 HD2 LYS 16 2.950 -5.992 2.637
123 2HD LYS 16 HD1 LYS 16 3.036 -4.718 3.855
124 1HE LYS 16 HE2 LYS 16 2.815 -7.251 5.204
125 2HE LYS 16 HE1 LYS 16 4.144 -7.331 4.029
126 1HZ LYS 16 HZ1 LYS 16 4.437 -6.198 6.397
127 2HZ LYS 16 HZ2 LYS 16 3.854 -4.852 5.538
128 3HZ LYS 16 HZ3 LYS 16 5.263 -5.648 5.022
129 H CYS 17 HN CYS 17 -1.845 -3.398 1.762
130 HA CYS 17 HA CYS 17 -2.109 -0.810 3.035
131 1HB CYS 17 HB2 CYS 17 -1.663 -1.073 0.659
132 2HB CYS 17 HB1 CYS 17 -3.138 -2.017 0.449
133 H LYS 18 HN LYS 18 -4.482 -3.290 2.008
134 HA LYS 18 HA LYS 18 -6.848 -1.925 2.772
135 1HB LYS 18 HB2 LYS 18 -6.502 -4.095 1.458
136 2HB LYS 18 HB1 LYS 18 -6.321 -4.898 3.019
137 1HG LYS 18 HG2 LYS 18 -8.574 -3.758 3.625
138 2HG LYS 18 HG1 LYS 18 -8.750 -3.518 1.886
139 1HD LYS 18 HD2 LYS 18 -8.126 -6.081 1.776
140 2HD LYS 18 HD1 LYS 18 -8.691 -6.078 3.447
141 1HE LYS 18 HE2 LYS 18 -10.514 -4.604 1.706
142 2HE LYS 18 HE1 LYS 18 -10.320 -6.291 1.190
143 1HZ LYS 18 HZ1 LYS 18 -11.991 -5.767 3.065
144 2HZ LYS 18 HZ2 LYS 18 -10.613 -5.626 4.048
145 3HZ LYS 18 HZ3 LYS 18 -10.946 -7.090 3.253
146 H GLU 19 HN GLU 19 -4.777 -4.136 4.670
147 HA GLU 19 HA GLU 19 -6.370 -3.919 7.086
148 1HB GLU 19 HB2 GLU 19 -4.934 -5.838 6.514
149 2HB GLU 19 HB1 GLU 19 -3.511 -4.797 6.563
150 1HG GLU 19 HG2 GLU 19 -4.181 -4.246 8.974
151 2HG GLU 19 HG1 GLU 19 -5.305 -5.603 8.859
152 H ALA 20 HN ALA 20 -3.846 -1.997 5.644
153 HA ALA 20 HA ALA 20 -3.040 -0.680 8.140
154 1HB ALA 20 HB1 ALA 20 -1.755 0.731 6.497
155 2HB ALA 20 HB2 ALA 20 -2.547 -0.151 5.191
156 3HB ALA 20 HB3 ALA 20 -1.472 -0.999 6.303
157 H ILE 21 HN ILE 21 -4.801 0.352 5.187
158 HA ILE 21 HA ILE 21 -5.821 2.721 6.688
159 HB ILE 21 HB ILE 21 -4.702 3.097 4.548
160 1HG1 ILE 21 HG12 ILE 21 -7.716 3.415 4.470
161 2HG1 ILE 21 HG11 ILE 21 -6.528 4.611 4.988
162 1HG2 ILE 21 HG21 ILE 21 -6.099 0.690 3.847
163 2HG2 ILE 21 HG22 ILE 21 -4.858 1.543 2.927
164 3HG2 ILE 21 HG23 ILE 21 -6.558 1.960 2.712
165 1HD1 ILE 21 HD11 ILE 21 -7.104 5.254 2.775
166 2HD1 ILE 21 HD12 ILE 21 -7.052 3.590 2.195
167 3HD1 ILE 21 HD13 ILE 21 -5.556 4.424 2.612
168 H GLY 22 HN GLY 22 -6.840 -0.305 5.255
169 1HA GLY 22 HA2 GLY 22 -8.938 -1.335 5.993
170 2HA GLY 22 HA1 GLY 22 -9.621 0.283 6.164
171 H LYS 23 HN LYS 23 -7.955 0.574 3.412
172 HA LYS 23 HA LYS 23 -10.265 -0.345 1.729
173 1HB LYS 23 HB2 LYS 23 -8.347 1.984 1.369
174 2HB LYS 23 HB1 LYS 23 -9.727 1.616 0.334
175 1HG LYS 23 HG2 LYS 23 -10.582 1.700 3.086
176 2HG LYS 23 HG1 LYS 23 -9.722 3.188 2.687
177 1HD LYS 23 HD2 LYS 23 -11.982 3.606 2.077
178 2HD LYS 23 HD1 LYS 23 -11.157 3.255 0.557
179 1HE LYS 23 HE2 LYS 23 -13.250 1.993 0.613
180 2HE LYS 23 HE1 LYS 23 -11.907 0.848 0.800
181 1HZ LYS 23 HZ1 LYS 23 -13.983 1.308 2.593
182 2HZ LYS 23 HZ2 LYS 23 -12.584 1.945 3.314
183 3HZ LYS 23 HZ3 LYS 23 -12.625 0.320 2.821
184 H ALA 24 HN ALA 24 -9.634 -2.102 0.537
185 HA ALA 24 HA ALA 24 -6.871 -2.792 0.030
186 1HB ALA 24 HB1 ALA 24 -9.576 -3.716 -0.957
187 2HB ALA 24 HB2 ALA 24 -8.502 -4.521 0.187
188 3HB ALA 24 HB3 ALA 24 -8.081 -4.461 -1.524
189 H ALA 25 HN ALA 25 -6.541 -0.430 -0.925
190 HA ALA 25 HA ALA 25 -6.584 -0.706 -3.883
191 1HB ALA 25 HB1 ALA 25 -8.516 0.530 -3.826
192 2HB ALA 25 HB2 ALA 25 -7.398 1.877 -3.613
193 3HB ALA 25 HB3 ALA 25 -8.183 1.152 -2.209
194 H GLY 26 HN GLY 26 -4.329 -0.611 -4.066
195 1HA GLY 26 HA2 GLY 26 -2.974 1.840 -4.042
196 2HA GLY 26 HA1 GLY 26 -2.678 1.125 -2.457
197 H LYS 27 HN LYS 27 -0.435 1.395 -3.783
198 HA LYS 27 HA LYS 27 0.253 -1.374 -4.625
199 1HB LYS 27 HB2 LYS 27 0.857 1.126 -6.241
200 2HB LYS 27 HB1 LYS 27 1.292 -0.527 -6.680
201 1HG LYS 27 HG2 LYS 27 -1.189 -1.081 -6.584
202 2HG LYS 27 HG1 LYS 27 -1.485 0.654 -6.466
203 1HD LYS 27 HD2 LYS 27 0.335 0.352 -8.590
204 2HD LYS 27 HD1 LYS 27 -0.861 -0.925 -8.809
205 1HE LYS 27 HE2 LYS 27 -2.292 0.622 -9.638
206 2HE LYS 27 HE1 LYS 27 -2.288 1.425 -8.055
207 1HZ LYS 27 HZ1 LYS 27 -0.626 1.968 -10.415
208 2HZ LYS 27 HZ2 LYS 27 0.037 2.242 -8.874
209 3HZ LYS 27 HZ3 LYS 27 -1.374 3.059 -9.353
210 H CYS 28 HN CYS 28 2.837 -1.206 -5.187
211 HA CYS 28 HA CYS 28 4.036 0.157 -2.809
212 1HB CYS 28 HB2 CYS 28 4.323 -2.212 -2.745
213 2HB CYS 28 HB1 CYS 28 4.731 -2.280 -4.460
214 H MET 29 HN MET 29 5.418 1.836 -3.193
215 HA MET 29 HA MET 29 6.911 1.954 -5.767
216 1HB MET 29 HB2 MET 29 4.815 3.844 -4.727
217 2HB MET 29 HB1 MET 29 6.129 4.474 -5.720
218 1HG MET 29 HG2 MET 29 5.006 2.038 -6.856
219 2HG MET 29 HG1 MET 29 3.778 3.287 -6.655
220 1HE MET 29 HE1 MET 29 3.203 3.423 -8.665
221 2HE MET 29 HE2 MET 29 4.264 2.988 -10.002
222 3HE MET 29 HE3 MET 29 3.816 4.673 -9.756
223 H ASN 30 HN ASN 30 9.006 2.487 -5.284
224 HA ASN 30 HA ASN 30 10.862 3.397 -4.137
225 1HB ASN 30 HB2 ASN 30 8.571 5.194 -3.768
226 2HB ASN 30 HB1 ASN 30 9.757 5.323 -2.469
227 1HD2 ASN 30 HD21 ASN 30 11.730 6.381 -2.936
228 2HD2 ASN 30 HD22 ASN 30 12.149 6.959 -4.476
229 H GLY 31 HN GLY 31 9.639 1.057 -3.041
230 1HA GLY 31 HA2 GLY 31 9.697 -0.215 -1.071
231 2HA GLY 31 HA1 GLY 31 10.751 1.034 -0.411
232 H LYS 32 HN LYS 32 7.605 1.942 -1.582
233 HA LYS 32 HA LYS 32 6.578 2.049 1.232
234 1HB LYS 32 HB2 LYS 32 6.563 4.216 -0.897
235 2HB LYS 32 HB1 LYS 32 5.764 4.345 0.670
236 1HG LYS 32 HG2 LYS 32 7.770 4.471 1.841
237 2HG LYS 32 HG1 LYS 32 8.673 3.621 0.587
238 1HD LYS 32 HD2 LYS 32 8.458 5.586 -0.899
239 2HD LYS 32 HD1 LYS 32 7.577 6.441 0.370
240 1HE LYS 32 HE2 LYS 32 10.197 5.287 1.182
241 2HE LYS 32 HE1 LYS 32 10.260 6.668 0.067
242 1HZ LYS 32 HZ1 LYS 32 9.974 6.994 2.668
243 2HZ LYS 32 HZ2 LYS 32 8.336 6.798 2.261
244 3HZ LYS 32 HZ3 LYS 32 9.249 8.039 1.546
245 H CYS 33 HN CYS 33 4.096 2.692 1.082
246 HA CYS 33 HA CYS 33 2.897 1.128 -1.186
247 1HB CYS 33 HB2 CYS 33 2.907 0.408 1.376
248 2HB CYS 33 HB1 CYS 33 1.540 1.518 1.456
249 H LYS 34 HN LYS 34 1.489 2.259 -2.455
250 HA LYS 34 HA LYS 34 0.650 4.983 -1.574
251 1HB LYS 34 HB2 LYS 34 0.494 3.586 -4.266
252 2HB LYS 34 HB1 LYS 34 0.251 5.307 -3.967
253 1HG LYS 34 HG2 LYS 34 2.771 4.425 -2.841
254 2HG LYS 34 HG1 LYS 34 2.685 4.032 -4.559
255 1HD LYS 34 HD2 LYS 34 2.125 6.761 -3.358
256 2HD LYS 34 HD1 LYS 34 3.604 6.303 -4.203
257 1HE LYS 34 HE2 LYS 34 0.976 5.871 -5.592
258 2HE LYS 34 HE1 LYS 34 1.662 7.507 -5.539
259 1HZ LYS 34 HZ1 LYS 34 3.141 5.070 -6.379
260 2HZ LYS 34 HZ2 LYS 34 3.737 6.661 -6.383
261 3HZ LYS 34 HZ3 LYS 34 2.489 6.216 -7.446
262 H CYS 35 HN CYS 35 -1.134 4.397 -0.196
263 HA CYS 35 HA CYS 35 -3.303 2.716 -1.304
264 1HB CYS 35 HB2 CYS 35 -2.776 4.130 1.324
265 2HB CYS 35 HB1 CYS 35 -4.238 3.192 1.013
266 H TYR 36 HN TYR 36 -5.333 3.540 -1.914
267 HA TYR 36 HA TYR 36 -5.474 6.479 -2.311
268 1HB TYR 36 HB2 TYR 36 -6.687 4.011 -3.467
269 2HB TYR 36 HB1 TYR 36 -7.644 5.490 -3.550
270 HD1 TYR 36 HD1 TYR 36 -5.631 7.582 -3.866
271 HD2 TYR 36 HD2 TYR 36 -5.800 3.662 -5.617
272 HE1 TYR 36 HE1 TYR 36 -4.251 8.371 -5.768
273 HE2 TYR 36 HE2 TYR 36 -4.419 4.454 -7.520
274 HH TYR 36 HH TYR 36 -2.559 6.705 -7.627
275 HA PRO 37 HA PRO 37 -8.141 6.864 1.245
276 1HB PRO 37 HB2 PRO 37 -9.291 9.259 0.143
277 2HB PRO 37 HB1 PRO 37 -8.063 9.124 1.405
278 1HG PRO 37 HG2 PRO 37 -7.713 10.026 -1.294
279 2HG PRO 37 HG1 PRO 37 -6.486 9.877 -0.033
280 1HD PRO 37 HD2 PRO 37 -6.826 8.227 -2.379
281 2HD PRO 37 HD1 PRO 37 -5.584 8.083 -1.112
Start of MODEL 16
1 1H VAL 1 HT1 VAL 1 -2.665 9.438 -0.670
2 2H VAL 1 HT2 VAL 1 -1.752 8.112 -1.212
3 3H VAL 1 HT3 VAL 1 -1.201 9.696 -1.487
4 HA VAL 1 HA VAL 1 -0.387 9.944 0.603
5 HB VAL 1 HB VAL 1 -2.794 9.755 1.349
6 1HG1 VAL 1 HG11 VAL 1 -3.265 7.503 0.565
7 2HG1 VAL 1 HG12 VAL 1 -3.444 7.537 2.319
8 3HG1 VAL 1 HG13 VAL 1 -1.994 6.840 1.594
9 1HG2 VAL 1 HG21 VAL 1 -2.058 9.887 3.496
10 2HG2 VAL 1 HG22 VAL 1 -0.453 9.629 2.814
11 3HG2 VAL 1 HG23 VAL 1 -1.373 8.264 3.446
12 H PHE 2 HN PHE 2 1.073 8.631 1.953
13 HA PHE 2 HA PHE 2 1.441 5.825 0.958
14 1HB PHE 2 HB2 PHE 2 3.530 7.974 1.435
15 2HB PHE 2 HB1 PHE 2 3.869 6.322 0.918
16 HD1 PHE 2 HD1 PHE 2 4.004 5.858 -1.358
17 HD2 PHE 2 HD2 PHE 2 1.777 9.282 -0.040
18 HE1 PHE 2 HE1 PHE 2 3.617 6.511 -3.712
19 HE2 PHE 2 HE2 PHE 2 1.384 9.937 -2.395
20 HZ PHE 2 HZ PHE 2 2.308 8.553 -4.238
21 H ILE 3 HN ILE 3 2.579 4.441 2.481
22 HA ILE 3 HA ILE 3 2.606 5.476 5.293
23 HB ILE 3 HB ILE 3 1.957 3.000 5.789
24 1HG1 ILE 3 HG12 ILE 3 0.618 3.008 3.140
25 2HG1 ILE 3 HG11 ILE 3 2.350 2.674 3.123
26 1HG2 ILE 3 HG21 ILE 3 0.376 5.314 4.964
27 2HG2 ILE 3 HG22 ILE 3 0.116 4.204 6.308
28 3HG2 ILE 3 HG23 ILE 3 -0.479 3.796 4.699
29 1HD1 ILE 3 HD11 ILE 3 1.044 1.239 5.281
30 2HD1 ILE 3 HD12 ILE 3 2.031 0.608 3.963
31 3HD1 ILE 3 HD13 ILE 3 0.301 0.854 3.730
32 H ASN 4 HN ASN 4 4.454 4.984 6.431
33 HA ASN 4 HA ASN 4 6.830 4.186 5.066
34 1HB ASN 4 HB2 ASN 4 7.697 4.106 7.455
35 2HB ASN 4 HB1 ASN 4 6.879 5.604 7.009
36 1HD2 ASN 4 HD21 ASN 4 4.917 6.130 8.103
37 2HD2 ASN 4 HD22 ASN 4 4.255 5.167 9.333
38 H ALA 5 HN ALA 5 6.138 2.110 4.090
39 HA ALA 5 HA ALA 5 6.679 -0.161 5.939
40 1HB ALA 5 HB1 ALA 5 4.530 -0.862 5.838
41 2HB ALA 5 HB2 ALA 5 4.588 -0.851 4.076
42 3HB ALA 5 HB3 ALA 5 4.123 0.607 4.951
43 H LYS 6 HN LYS 6 8.720 -0.261 4.793
44 HA LYS 6 HA LYS 6 9.416 -0.189 2.168
45 1HB LYS 6 HB2 LYS 6 10.076 -2.113 4.383
46 2HB LYS 6 HB1 LYS 6 10.819 -2.324 2.798
47 1HG LYS 6 HG2 LYS 6 10.843 0.371 4.142
48 2HG LYS 6 HG1 LYS 6 12.049 -0.847 4.561
49 1HD LYS 6 HD2 LYS 6 13.066 -0.755 2.498
50 2HD LYS 6 HD1 LYS 6 11.567 -0.350 1.660
51 1HE LYS 6 HE2 LYS 6 12.677 1.704 1.561
52 2HE LYS 6 HE1 LYS 6 11.794 1.899 3.087
53 1HZ LYS 6 HZ1 LYS 6 13.640 1.452 4.332
54 2HZ LYS 6 HZ2 LYS 6 14.380 2.210 3.003
55 3HZ LYS 6 HZ3 LYS 6 14.379 0.516 3.126
56 H CYS 7 HN CYS 7 7.647 -0.707 0.759
57 HA CYS 7 HA CYS 7 6.400 -3.350 0.797
58 1HB CYS 7 HB2 CYS 7 5.339 -2.451 -1.288
59 2HB CYS 7 HB1 CYS 7 5.206 -1.342 0.077
60 H ARG 8 HN ARG 8 6.939 -5.112 -0.495
61 HA ARG 8 HA ARG 8 9.441 -4.859 -2.115
62 1HB ARG 8 HB2 ARG 8 8.084 -6.976 -0.492
63 2HB ARG 8 HB1 ARG 8 9.087 -7.497 -1.846
64 1HG ARG 8 HG2 ARG 8 10.446 -5.427 -0.359
65 2HG ARG 8 HG1 ARG 8 9.960 -6.729 0.729
66 1HD ARG 8 HD2 ARG 8 11.656 -8.006 -0.055
67 2HD ARG 8 HD1 ARG 8 10.979 -7.901 -1.693
68 HE ARG 8 HE ARG 8 12.983 -6.025 -0.540
69 1HH1 ARG 8 HH21 ARG 8 12.650 -7.881 -3.162
70 2HH1 ARG 8 HH22 ARG 8 12.730 -6.629 -4.355
71 1HH2 ARG 8 HH11 ARG 8 12.374 -4.054 -2.061
72 2HH2 ARG 8 HH12 ARG 8 12.574 -4.463 -3.733
73 H GLY 9 HN GLY 9 6.036 -5.323 -2.383
74 1HA GLY 9 HA2 GLY 9 6.305 -5.672 -5.296
75 2HA GLY 9 HA1 GLY 9 5.500 -6.995 -4.451
76 H SER 10 HN SER 10 4.353 -5.114 -6.409
77 HA SER 10 HA SER 10 2.743 -3.103 -5.209
78 1HB SER 10 HB2 SER 10 3.175 -4.296 -7.723
79 2HB SER 10 HB1 SER 10 1.449 -4.468 -7.414
80 HG SER 10 HG SER 10 2.338 -2.410 -8.389
81 HA PRO 11 HA PRO 11 -0.733 -6.500 -4.976
82 1HB PRO 11 HB2 PRO 11 0.612 -9.033 -4.724
83 2HB PRO 11 HB1 PRO 11 -0.496 -8.508 -5.996
84 1HG PRO 11 HG2 PRO 11 2.334 -8.890 -6.192
85 2HG PRO 11 HG1 PRO 11 1.228 -8.328 -7.448
86 1HD PRO 11 HD2 PRO 11 3.206 -6.801 -6.005
87 2HD PRO 11 HD1 PRO 11 2.116 -6.236 -7.294
88 H GLU 12 HN GLU 12 2.262 -6.307 -3.308
89 HA GLU 12 HA GLU 12 1.393 -7.692 -0.873
90 1HB GLU 12 HB2 GLU 12 3.770 -6.453 -2.018
91 2HB GLU 12 HB1 GLU 12 3.567 -6.000 -0.326
92 1HG GLU 12 HG2 GLU 12 2.988 -8.669 -0.221
93 2HG GLU 12 HG1 GLU 12 4.198 -8.635 -1.506
94 H CYS 13 HN CYS 13 1.548 -4.357 -2.071
95 HA CYS 13 HA CYS 13 0.913 -3.051 0.416
96 1HB CYS 13 HB2 CYS 13 1.792 -2.242 -1.965
97 2HB CYS 13 HB1 CYS 13 0.072 -1.980 -2.257
98 H LEU 14 HN LEU 14 -1.033 -4.664 -2.040
99 HA LEU 14 HA LEU 14 -3.580 -3.553 -1.556
100 1HB LEU 14 HB2 LEU 14 -2.400 -5.900 -2.753
101 2HB LEU 14 HB1 LEU 14 -3.867 -6.355 -1.886
102 HG LEU 14 HG LEU 14 -4.234 -5.658 -4.294
103 1HD1 LEU 14 HD11 LEU 14 -6.164 -4.158 -3.724
104 2HD1 LEU 14 HD12 LEU 14 -5.547 -4.068 -2.074
105 3HD1 LEU 14 HD13 LEU 14 -6.086 -5.613 -2.730
106 1HD2 LEU 14 HD21 LEU 14 -3.607 -3.602 -5.042
107 2HD2 LEU 14 HD22 LEU 14 -2.531 -3.596 -3.645
108 3HD2 LEU 14 HD23 LEU 14 -4.105 -2.810 -3.548
109 HA PRO 15 HA PRO 15 -4.226 -6.848 1.972
110 1HB PRO 15 HB2 PRO 15 -1.603 -7.655 2.832
111 2HB PRO 15 HB1 PRO 15 -2.873 -8.667 2.140
112 1HG PRO 15 HG2 PRO 15 -0.417 -7.786 0.904
113 2HG PRO 15 HG1 PRO 15 -1.642 -8.878 0.252
114 1HD PRO 15 HD2 PRO 15 -1.095 -6.206 -0.594
115 2HD PRO 15 HD1 PRO 15 -2.430 -7.254 -1.129
116 H LYS 16 HN LYS 16 -1.130 -5.065 1.998
117 HA LYS 16 HA LYS 16 -1.230 -4.257 4.754
118 1HB LYS 16 HB2 LYS 16 0.251 -3.634 2.266
119 2HB LYS 16 HB1 LYS 16 0.254 -2.352 3.478
120 1HG LYS 16 HG2 LYS 16 2.165 -3.855 3.831
121 2HG LYS 16 HG1 LYS 16 1.033 -3.981 5.178
122 1HD LYS 16 HD2 LYS 16 0.238 -6.075 4.484
123 2HD LYS 16 HD1 LYS 16 0.792 -5.842 2.826
124 1HE LYS 16 HE2 LYS 16 3.163 -5.681 4.199
125 2HE LYS 16 HE1 LYS 16 2.273 -6.878 5.161
126 1HZ LYS 16 HZ1 LYS 16 3.387 -7.949 3.302
127 2HZ LYS 16 HZ2 LYS 16 2.602 -6.914 2.205
128 3HZ LYS 16 HZ3 LYS 16 1.703 -8.038 3.109
129 H CYS 17 HN CYS 17 -2.101 -2.481 1.755
130 HA CYS 17 HA CYS 17 -3.011 -0.091 2.970
131 1HB CYS 17 HB2 CYS 17 -3.777 -1.611 0.468
132 2HB CYS 17 HB1 CYS 17 -4.451 -0.025 0.834
133 H LYS 18 HN LYS 18 -4.833 -3.065 2.174
134 HA LYS 18 HA LYS 18 -7.402 -2.252 3.029
135 1HB LYS 18 HB2 LYS 18 -6.642 -4.383 1.854
136 2HB LYS 18 HB1 LYS 18 -6.137 -4.977 3.436
137 1HG LYS 18 HG2 LYS 18 -8.701 -4.061 3.923
138 2HG LYS 18 HG1 LYS 18 -8.834 -4.751 2.306
139 1HD LYS 18 HD2 LYS 18 -8.420 -6.885 3.033
140 2HD LYS 18 HD1 LYS 18 -7.310 -6.349 4.294
141 1HE LYS 18 HE2 LYS 18 -10.214 -5.646 4.580
142 2HE LYS 18 HE1 LYS 18 -9.697 -7.302 4.954
143 1HZ LYS 18 HZ1 LYS 18 -9.417 -6.006 6.919
144 2HZ LYS 18 HZ2 LYS 18 -8.596 -4.782 6.076
145 3HZ LYS 18 HZ3 LYS 18 -7.871 -6.304 6.290
146 H GLU 19 HN GLU 19 -4.675 -3.556 4.913
147 HA GLU 19 HA GLU 19 -6.153 -3.543 7.437
148 1HB GLU 19 HB2 GLU 19 -4.090 -4.942 6.554
149 2HB GLU 19 HB1 GLU 19 -3.159 -3.580 7.176
150 1HG GLU 19 HG2 GLU 19 -4.151 -3.859 9.389
151 2HG GLU 19 HG1 GLU 19 -5.189 -5.153 8.787
152 H ALA 20 HN ALA 20 -4.534 -1.187 5.547
153 HA ALA 20 HA ALA 20 -3.865 0.549 7.860
154 1HB ALA 20 HB1 ALA 20 -2.683 0.058 5.463
155 2HB ALA 20 HB2 ALA 20 -2.453 1.559 6.359
156 3HB ALA 20 HB3 ALA 20 -3.633 1.484 5.051
157 H ILE 21 HN ILE 21 -6.446 0.031 5.632
158 HA ILE 21 HA ILE 21 -7.838 2.434 6.691
159 HB ILE 21 HB ILE 21 -8.512 2.769 4.144
160 1HG1 ILE 21 HG12 ILE 21 -5.731 1.576 3.901
161 2HG1 ILE 21 HG11 ILE 21 -7.206 0.718 3.449
162 1HG2 ILE 21 HG21 ILE 21 -5.800 3.591 5.224
163 2HG2 ILE 21 HG22 ILE 21 -7.324 4.399 5.590
164 3HG2 ILE 21 HG23 ILE 21 -6.699 4.403 3.942
165 1HD1 ILE 21 HD11 ILE 21 -6.263 3.358 2.288
166 2HD1 ILE 21 HD12 ILE 21 -7.759 2.529 1.854
167 3HD1 ILE 21 HD13 ILE 21 -6.202 1.791 1.476
168 H GLY 22 HN GLY 22 -7.985 -0.526 4.725
169 1HA GLY 22 HA2 GLY 22 -9.776 -2.147 5.473
170 2HA GLY 22 HA1 GLY 22 -10.868 -0.763 5.498
171 H LYS 23 HN LYS 23 -9.074 -0.010 2.952
172 HA LYS 23 HA LYS 23 -10.901 -1.438 1.057
173 1HB LYS 23 HB2 LYS 23 -10.934 1.074 1.281
174 2HB LYS 23 HB1 LYS 23 -9.270 1.095 0.696
175 1HG LYS 23 HG2 LYS 23 -10.040 1.051 -1.416
176 2HG LYS 23 HG1 LYS 23 -10.746 -0.533 -1.099
177 1HD LYS 23 HD2 LYS 23 -12.186 1.933 -0.169
178 2HD LYS 23 HD1 LYS 23 -12.300 1.447 -1.862
179 1HE LYS 23 HE2 LYS 23 -14.052 0.175 -1.067
180 2HE LYS 23 HE1 LYS 23 -12.748 -0.950 -0.636
181 1HZ LYS 23 HZ1 LYS 23 -13.799 1.223 1.101
182 2HZ LYS 23 HZ2 LYS 23 -12.546 0.148 1.504
183 3HZ LYS 23 HZ3 LYS 23 -14.129 -0.429 1.293
184 H ALA 24 HN ALA 24 -9.963 -2.952 -0.265
185 HA ALA 24 HA ALA 24 -7.084 -3.400 -0.229
186 1HB ALA 24 HB1 ALA 24 -9.239 -4.576 -2.011
187 2HB ALA 24 HB2 ALA 24 -8.900 -5.139 -0.375
188 3HB ALA 24 HB3 ALA 24 -7.675 -5.294 -1.631
189 H ALA 25 HN ALA 25 -6.635 -1.110 -1.093
190 HA ALA 25 HA ALA 25 -6.306 -1.267 -4.041
191 1HB ALA 25 HB1 ALA 25 -8.509 -0.093 -3.165
192 2HB ALA 25 HB2 ALA 25 -7.584 0.643 -4.472
193 3HB ALA 25 HB3 ALA 25 -7.415 1.246 -2.824
194 H GLY 26 HN GLY 26 -4.080 -1.034 -4.107
195 1HA GLY 26 HA2 GLY 26 -2.818 1.435 -3.510
196 2HA GLY 26 HA1 GLY 26 -2.531 0.350 -2.149
197 H LYS 27 HN LYS 27 -0.329 1.147 -3.516
198 HA LYS 27 HA LYS 27 0.527 -1.373 -4.858
199 1HB LYS 27 HB2 LYS 27 0.644 1.447 -5.960
200 2HB LYS 27 HB1 LYS 27 1.596 0.121 -6.627
201 1HG LYS 27 HG2 LYS 27 -0.200 -0.342 -7.915
202 2HG LYS 27 HG1 LYS 27 -0.965 -0.947 -6.446
203 1HD LYS 27 HD2 LYS 27 -2.537 0.641 -6.818
204 2HD LYS 27 HD1 LYS 27 -1.328 1.780 -6.226
205 1HE LYS 27 HE2 LYS 27 -0.516 1.574 -8.804
206 2HE LYS 27 HE1 LYS 27 -2.257 1.296 -9.008
207 1HZ LYS 27 HZ1 LYS 27 -1.223 3.726 -8.790
208 2HZ LYS 27 HZ2 LYS 27 -1.476 3.394 -7.143
209 3HZ LYS 27 HZ3 LYS 27 -2.777 3.342 -8.233
210 H CYS 28 HN CYS 28 3.079 -0.682 -5.537
211 HA CYS 28 HA CYS 28 4.289 0.285 -2.962
212 1HB CYS 28 HB2 CYS 28 4.588 -2.090 -3.214
213 2HB CYS 28 HB1 CYS 28 5.043 -1.912 -4.909
214 H MET 29 HN MET 29 5.744 1.975 -3.191
215 HA MET 29 HA MET 29 7.064 2.422 -5.818
216 1HB MET 29 HB2 MET 29 4.668 3.643 -5.105
217 2HB MET 29 HB1 MET 29 5.883 4.861 -4.714
218 1HG MET 29 HG2 MET 29 6.844 4.598 -6.993
219 2HG MET 29 HG1 MET 29 5.561 3.450 -7.378
220 1HE MET 29 HE1 MET 29 5.538 5.311 -9.423
221 2HE MET 29 HE2 MET 29 3.953 6.082 -9.439
222 3HE MET 29 HE3 MET 29 4.082 4.359 -9.094
223 H ASN 30 HN ASN 30 9.054 3.442 -5.587
224 HA ASN 30 HA ASN 30 10.986 4.201 -4.458
225 1HB ASN 30 HB2 ASN 30 8.771 5.896 -4.090
226 2HB ASN 30 HB1 ASN 30 9.535 5.784 -2.505
227 1HD2 ASN 30 HD21 ASN 30 9.624 7.592 -5.298
228 2HD2 ASN 30 HD22 ASN 30 11.233 8.129 -5.232
229 H GLY 31 HN GLY 31 9.367 1.839 -3.279
230 1HA GLY 31 HA2 GLY 31 9.940 0.364 -1.509
231 2HA GLY 31 HA1 GLY 31 10.982 1.620 -0.842
232 H LYS 32 HN LYS 32 7.853 2.734 -1.610
233 HA LYS 32 HA LYS 32 7.067 2.536 1.281
234 1HB LYS 32 HB2 LYS 32 6.366 4.660 -0.775
235 2HB LYS 32 HB1 LYS 32 6.055 4.732 0.960
236 1HG LYS 32 HG2 LYS 32 8.647 4.391 1.167
237 2HG LYS 32 HG1 LYS 32 8.671 4.969 -0.499
238 1HD LYS 32 HD2 LYS 32 6.924 6.667 0.992
239 2HD LYS 32 HD1 LYS 32 8.430 6.509 1.895
240 1HE LYS 32 HE2 LYS 32 9.472 6.857 -0.566
241 2HE LYS 32 HE1 LYS 32 7.953 7.752 -0.772
242 1HZ LYS 32 HZ1 LYS 32 9.088 9.376 0.279
243 2HZ LYS 32 HZ2 LYS 32 10.199 8.304 0.990
244 3HZ LYS 32 HZ3 LYS 32 8.660 8.517 1.678
245 H CYS 33 HN CYS 33 4.673 2.401 1.633
246 HA CYS 33 HA CYS 33 3.415 0.790 -0.539
247 1HB CYS 33 HB2 CYS 33 3.631 0.520 2.184
248 2HB CYS 33 HB1 CYS 33 2.018 1.205 2.023
249 H LYS 34 HN LYS 34 1.848 1.687 -1.816
250 HA LYS 34 HA LYS 34 0.817 4.392 -1.135
251 1HB LYS 34 HB2 LYS 34 1.233 2.693 -3.542
252 2HB LYS 34 HB1 LYS 34 -0.135 3.805 -3.604
253 1HG LYS 34 HG2 LYS 34 1.299 5.698 -3.147
254 2HG LYS 34 HG1 LYS 34 2.679 4.638 -2.850
255 1HD LYS 34 HD2 LYS 34 2.930 5.475 -5.088
256 2HD LYS 34 HD1 LYS 34 2.405 3.798 -5.231
257 1HE LYS 34 HE2 LYS 34 0.137 4.458 -5.713
258 2HE LYS 34 HE1 LYS 34 0.487 6.150 -5.305
259 1HZ LYS 34 HZ1 LYS 34 2.123 4.762 -7.319
260 2HZ LYS 34 HZ2 LYS 34 1.813 6.424 -7.149
261 3HZ LYS 34 HZ3 LYS 34 0.615 5.393 -7.769
262 H CYS 35 HN CYS 35 -1.119 4.439 -0.042
263 HA CYS 35 HA CYS 35 -3.146 2.323 -0.709
264 1HB CYS 35 HB2 CYS 35 -2.595 3.744 1.917
265 2HB CYS 35 HB1 CYS 35 -3.846 2.531 1.658
266 H TYR 36 HN TYR 36 -5.141 3.112 -1.327
267 HA TYR 36 HA TYR 36 -5.532 6.079 -1.213
268 1HB TYR 36 HB2 TYR 36 -6.721 3.902 -2.964
269 2HB TYR 36 HB1 TYR 36 -7.071 5.624 -3.119
270 HD1 TYR 36 HD1 TYR 36 -4.362 6.760 -2.556
271 HD2 TYR 36 HD2 TYR 36 -5.562 3.424 -4.980
272 HE1 TYR 36 HE1 TYR 36 -2.335 7.048 -3.956
273 HE2 TYR 36 HE2 TYR 36 -3.535 3.712 -6.380
274 HH TYR 36 HH TYR 36 -1.787 6.357 -6.559
275 HA PRO 37 HA PRO 37 -8.862 5.644 1.640
276 1HB PRO 37 HB2 PRO 37 -10.481 7.604 0.291
277 2HB PRO 37 HB1 PRO 37 -9.483 7.824 1.731
278 1HG PRO 37 HG2 PRO 37 -8.995 8.822 -0.912
279 2HG PRO 37 HG1 PRO 37 -7.993 9.030 0.527
280 1HD PRO 37 HD2 PRO 37 -7.453 7.384 -1.784
281 2HD PRO 37 HD1 PRO 37 -6.443 7.595 -0.332
Start of MODEL 17
1 1H VAL 1 HT1 VAL 1 -2.112 10.843 2.993
2 2H VAL 1 HT2 VAL 1 -1.979 9.868 1.608
3 3H VAL 1 HT3 VAL 1 -0.612 10.174 2.570
4 HA VAL 1 HA VAL 1 -1.822 9.022 4.449
5 HB VAL 1 HB VAL 1 -3.494 8.080 2.105
6 1HG1 VAL 1 HG11 VAL 1 -3.277 7.448 4.975
7 2HG1 VAL 1 HG12 VAL 1 -3.954 6.488 3.660
8 3HG1 VAL 1 HG13 VAL 1 -4.928 7.743 4.426
9 1HG2 VAL 1 HG21 VAL 1 -3.993 10.292 4.113
10 2HG2 VAL 1 HG22 VAL 1 -5.293 9.521 3.204
11 3HG2 VAL 1 HG23 VAL 1 -4.025 10.406 2.354
12 H PHE 2 HN PHE 2 0.578 8.776 3.004
13 HA PHE 2 HA PHE 2 0.600 5.952 2.021
14 1HB PHE 2 HB2 PHE 2 2.429 8.344 1.742
15 2HB PHE 2 HB1 PHE 2 2.932 6.730 1.252
16 HD1 PHE 2 HD1 PHE 2 2.589 9.237 -0.516
17 HD2 PHE 2 HD2 PHE 2 -0.009 5.927 0.362
18 HE1 PHE 2 HE1 PHE 2 1.448 9.549 -2.693
19 HE2 PHE 2 HE2 PHE 2 -1.147 6.245 -1.811
20 HZ PHE 2 HZ PHE 2 -0.419 8.055 -3.341
21 H ILE 3 HN ILE 3 2.663 4.734 2.642
22 HA ILE 3 HA ILE 3 3.563 5.447 5.411
23 HB ILE 3 HB ILE 3 3.330 3.038 5.963
24 1HG1 ILE 3 HG12 ILE 3 2.063 2.851 3.211
25 2HG1 ILE 3 HG11 ILE 3 3.645 2.199 3.641
26 1HG2 ILE 3 HG21 ILE 3 1.084 3.217 6.436
27 2HG2 ILE 3 HG22 ILE 3 0.674 3.741 4.803
28 3HG2 ILE 3 HG23 ILE 3 1.381 4.884 5.944
29 1HD1 ILE 3 HD11 ILE 3 0.990 1.099 4.158
30 2HD1 ILE 3 HD12 ILE 3 1.966 1.204 5.624
31 3HD1 ILE 3 HD13 ILE 3 2.563 0.306 4.229
32 H ASN 4 HN ASN 4 5.767 5.267 5.654
33 HA ASN 4 HA ASN 4 7.404 4.589 3.329
34 1HB ASN 4 HB2 ASN 4 9.204 5.366 4.756
35 2HB ASN 4 HB1 ASN 4 7.818 6.425 5.013
36 1HD2 ASN 4 HD21 ASN 4 10.074 5.685 6.910
37 2HD2 ASN 4 HD22 ASN 4 9.297 5.077 8.292
38 H ALA 5 HN ALA 5 5.969 2.288 4.019
39 HA ALA 5 HA ALA 5 7.783 0.583 5.639
40 1HB ALA 5 HB1 ALA 5 5.387 0.467 6.046
41 2HB ALA 5 HB2 ALA 5 5.889 -1.045 5.289
42 3HB ALA 5 HB3 ALA 5 5.071 0.192 4.333
43 H LYS 6 HN LYS 6 9.578 0.421 4.143
44 HA LYS 6 HA LYS 6 9.602 -0.073 1.416
45 1HB LYS 6 HB2 LYS 6 11.693 -1.410 1.973
46 2HB LYS 6 HB1 LYS 6 11.614 0.185 2.721
47 1HG LYS 6 HG2 LYS 6 11.626 -0.705 4.792
48 2HG LYS 6 HG1 LYS 6 10.309 -1.806 4.384
49 1HD LYS 6 HD2 LYS 6 11.720 -3.540 3.991
50 2HD LYS 6 HD1 LYS 6 12.884 -2.518 3.147
51 1HE LYS 6 HE2 LYS 6 13.966 -1.882 5.141
52 2HE LYS 6 HE1 LYS 6 12.573 -2.327 6.146
53 1HZ LYS 6 HZ1 LYS 6 14.656 -3.942 5.757
54 2HZ LYS 6 HZ2 LYS 6 13.663 -4.436 4.471
55 3HZ LYS 6 HZ3 LYS 6 13.087 -4.507 6.068
56 H CYS 7 HN CYS 7 7.735 -1.362 0.797
57 HA CYS 7 HA CYS 7 7.280 -4.010 1.903
58 1HB CYS 7 HB2 CYS 7 5.502 -4.063 0.332
59 2HB CYS 7 HB1 CYS 7 5.673 -2.354 0.727
60 H ARG 8 HN ARG 8 6.962 -5.681 -0.245
61 HA ARG 8 HA ARG 8 9.712 -5.876 -1.433
62 1HB ARG 8 HB2 ARG 8 8.032 -7.714 0.157
63 2HB ARG 8 HB1 ARG 8 8.771 -8.451 -1.265
64 1HG ARG 8 HG2 ARG 8 10.450 -8.745 0.325
65 2HG ARG 8 HG1 ARG 8 10.940 -7.225 -0.424
66 1HD ARG 8 HD2 ARG 8 10.207 -5.938 1.402
67 2HD ARG 8 HD1 ARG 8 9.108 -7.209 1.975
68 HE ARG 8 HE ARG 8 10.945 -8.056 3.183
69 1HH1 ARG 8 HH11 ARG 8 12.127 -5.671 1.127
70 2HH1 ARG 8 HH12 ARG 8 13.733 -6.311 1.025
71 1HH2 ARG 8 HH21 ARG 8 12.960 -9.241 2.709
72 2HH2 ARG 8 HH22 ARG 8 14.204 -8.331 1.918
73 H GLY 9 HN GLY 9 6.291 -5.908 -1.955
74 1HA GLY 9 HA2 GLY 9 6.746 -6.249 -4.854
75 2HA GLY 9 HA1 GLY 9 5.654 -7.403 -4.091
76 H SER 10 HN SER 10 5.051 -5.328 -6.110
77 HA SER 10 HA SER 10 3.731 -3.063 -5.034
78 1HB SER 10 HB2 SER 10 3.613 -2.794 -7.269
79 2HB SER 10 HB1 SER 10 4.029 -4.488 -7.513
80 HG SER 10 HG SER 10 2.041 -4.429 -8.309
81 HA PRO 11 HA PRO 11 -0.324 -5.749 -5.108
82 1HB PRO 11 HB2 PRO 11 0.488 -8.488 -4.764
83 2HB PRO 11 HB1 PRO 11 -0.388 -7.771 -6.119
84 1HG PRO 11 HG2 PRO 11 2.325 -8.687 -6.079
85 2HG PRO 11 HG1 PRO 11 1.456 -7.935 -7.419
86 1HD PRO 11 HD2 PRO 11 3.560 -6.799 -5.801
87 2HD PRO 11 HD1 PRO 11 2.712 -6.049 -7.174
88 H GLU 12 HN GLU 12 2.534 -6.557 -3.217
89 HA GLU 12 HA GLU 12 1.313 -7.670 -0.902
90 1HB GLU 12 HB2 GLU 12 3.733 -7.605 -1.360
91 2HB GLU 12 HB1 GLU 12 3.723 -5.848 -1.206
92 1HG GLU 12 HG2 GLU 12 4.477 -6.699 0.905
93 2HG GLU 12 HG1 GLU 12 2.810 -6.177 1.148
94 H CYS 13 HN CYS 13 1.455 -4.366 -2.075
95 HA CYS 13 HA CYS 13 0.779 -3.071 0.416
96 1HB CYS 13 HB2 CYS 13 1.791 -2.202 -1.843
97 2HB CYS 13 HB1 CYS 13 0.105 -2.028 -2.328
98 H LEU 14 HN LEU 14 -1.100 -4.750 -2.012
99 HA LEU 14 HA LEU 14 -3.650 -3.560 -1.615
100 1HB LEU 14 HB2 LEU 14 -2.478 -5.930 -2.790
101 2HB LEU 14 HB1 LEU 14 -3.990 -6.343 -1.981
102 HG LEU 14 HG LEU 14 -4.784 -4.090 -3.208
103 1HD1 LEU 14 HD11 LEU 14 -2.356 -5.068 -4.656
104 2HD1 LEU 14 HD12 LEU 14 -2.942 -3.420 -4.439
105 3HD1 LEU 14 HD13 LEU 14 -3.715 -4.482 -5.616
106 1HD2 LEU 14 HD21 LEU 14 -4.895 -6.948 -3.760
107 2HD2 LEU 14 HD22 LEU 14 -5.020 -6.002 -5.243
108 3HD2 LEU 14 HD23 LEU 14 -6.162 -5.732 -3.926
109 HA PRO 15 HA PRO 15 -4.375 -6.854 1.887
110 1HB PRO 15 HB2 PRO 15 -1.780 -7.726 2.770
111 2HB PRO 15 HB1 PRO 15 -3.064 -8.704 2.051
112 1HG PRO 15 HG2 PRO 15 -0.572 -7.903 0.860
113 2HG PRO 15 HG1 PRO 15 -1.845 -8.904 0.155
114 1HD PRO 15 HD2 PRO 15 -1.145 -6.207 -0.550
115 2HD PRO 15 HD1 PRO 15 -2.462 -7.202 -1.213
116 H LYS 16 HN LYS 16 -1.199 -5.207 2.031
117 HA LYS 16 HA LYS 16 -1.272 -4.416 4.762
118 1HB LYS 16 HB2 LYS 16 -0.017 -3.337 2.235
119 2HB LYS 16 HB1 LYS 16 0.265 -2.563 3.795
120 1HG LYS 16 HG2 LYS 16 0.778 -5.494 3.208
121 2HG LYS 16 HG1 LYS 16 2.021 -4.243 3.237
122 1HD LYS 16 HD2 LYS 16 2.220 -4.640 5.448
123 2HD LYS 16 HD1 LYS 16 0.636 -3.888 5.636
124 1HE LYS 16 HE2 LYS 16 -0.054 -5.899 6.449
125 2HE LYS 16 HE1 LYS 16 0.047 -6.484 4.776
126 1HZ LYS 16 HZ1 LYS 16 1.458 -7.852 6.109
127 2HZ LYS 16 HZ2 LYS 16 2.210 -6.501 6.812
128 3HZ LYS 16 HZ3 LYS 16 2.456 -6.854 5.168
129 H CYS 17 HN CYS 17 -2.311 -2.625 1.839
130 HA CYS 17 HA CYS 17 -3.282 -0.299 3.186
131 1HB CYS 17 HB2 CYS 17 -3.850 -1.690 0.567
132 2HB CYS 17 HB1 CYS 17 -4.687 -0.199 1.000
133 H LYS 18 HN LYS 18 -4.908 -3.329 2.230
134 HA LYS 18 HA LYS 18 -7.560 -2.694 2.979
135 1HB LYS 18 HB2 LYS 18 -6.509 -4.749 1.806
136 2HB LYS 18 HB1 LYS 18 -6.220 -5.367 3.432
137 1HG LYS 18 HG2 LYS 18 -8.638 -5.136 3.935
138 2HG LYS 18 HG1 LYS 18 -8.914 -4.575 2.284
139 1HD LYS 18 HD2 LYS 18 -9.118 -6.722 1.645
140 2HD LYS 18 HD1 LYS 18 -7.417 -6.958 2.052
141 1HE LYS 18 HE2 LYS 18 -8.835 -8.582 3.272
142 2HE LYS 18 HE1 LYS 18 -8.084 -7.450 4.413
143 1HZ LYS 18 HZ1 LYS 18 -10.720 -7.878 4.285
144 2HZ LYS 18 HZ2 LYS 18 -10.574 -6.560 3.223
145 3HZ LYS 18 HZ3 LYS 18 -10.030 -6.426 4.828
146 H GLU 19 HN GLU 19 -4.771 -3.571 4.946
147 HA GLU 19 HA GLU 19 -6.402 -3.847 7.399
148 1HB GLU 19 HB2 GLU 19 -3.576 -4.269 6.511
149 2HB GLU 19 HB1 GLU 19 -3.870 -4.024 8.234
150 1HG GLU 19 HG2 GLU 19 -5.864 -5.815 7.428
151 2HG GLU 19 HG1 GLU 19 -4.408 -6.366 6.599
152 H ALA 20 HN ALA 20 -4.567 -1.415 5.725
153 HA ALA 20 HA ALA 20 -4.145 0.263 8.109
154 1HB ALA 20 HB1 ALA 20 -2.787 -0.052 5.841
155 2HB ALA 20 HB2 ALA 20 -2.822 1.510 6.658
156 3HB ALA 20 HB3 ALA 20 -3.880 1.213 5.279
157 H ILE 21 HN ILE 21 -5.917 0.705 5.018
158 HA ILE 21 HA ILE 21 -7.672 2.698 6.377
159 HB ILE 21 HB ILE 21 -8.115 3.464 4.144
160 1HG1 ILE 21 HG12 ILE 21 -6.834 0.860 3.249
161 2HG1 ILE 21 HG11 ILE 21 -8.535 1.296 3.093
162 1HG2 ILE 21 HG21 ILE 21 -5.598 3.434 5.199
163 2HG2 ILE 21 HG22 ILE 21 -6.026 4.269 3.705
164 3HG2 ILE 21 HG23 ILE 21 -5.312 2.658 3.641
165 1HD1 ILE 21 HD11 ILE 21 -8.088 2.946 1.465
166 2HD1 ILE 21 HD12 ILE 21 -7.010 1.622 1.020
167 3HD1 ILE 21 HD13 ILE 21 -6.377 3.022 1.886
168 H GLY 22 HN GLY 22 -7.818 -0.283 4.422
169 1HA GLY 22 HA2 GLY 22 -9.456 -2.024 4.921
170 2HA GLY 22 HA1 GLY 22 -10.533 -0.775 5.549
171 H LYS 23 HN LYS 23 -8.754 -0.474 2.518
172 HA LYS 23 HA LYS 23 -11.345 -0.776 1.042
173 1HB LYS 23 HB2 LYS 23 -9.247 1.388 1.022
174 2HB LYS 23 HB1 LYS 23 -10.295 1.146 -0.376
175 1HG LYS 23 HG2 LYS 23 -11.221 1.662 2.465
176 2HG LYS 23 HG1 LYS 23 -11.270 2.821 1.135
177 1HD LYS 23 HD2 LYS 23 -12.558 0.661 0.034
178 2HD LYS 23 HD1 LYS 23 -13.065 0.557 1.720
179 1HE LYS 23 HE2 LYS 23 -13.690 3.008 1.602
180 2HE LYS 23 HE1 LYS 23 -13.391 2.928 -0.146
181 1HZ LYS 23 HZ1 LYS 23 -15.347 1.365 1.441
182 2HZ LYS 23 HZ2 LYS 23 -14.875 0.904 -0.125
183 3HZ LYS 23 HZ3 LYS 23 -15.655 2.393 0.128
184 H ALA 24 HN ALA 24 -8.225 -1.883 1.407
185 HA ALA 24 HA ALA 24 -6.694 -3.004 -0.031
186 1HB ALA 24 HB1 ALA 24 -8.017 -4.720 -1.367
187 2HB ALA 24 HB2 ALA 24 -9.478 -3.892 -0.830
188 3HB ALA 24 HB3 ALA 24 -8.409 -4.650 0.351
189 H ALA 25 HN ALA 25 -6.615 -0.555 -1.040
190 HA ALA 25 HA ALA 25 -6.706 -0.979 -3.978
191 1HB ALA 25 HB1 ALA 25 -7.816 1.596 -2.987
192 2HB ALA 25 HB2 ALA 25 -8.821 0.170 -2.730
193 3HB ALA 25 HB3 ALA 25 -8.320 0.613 -4.362
194 H GLY 26 HN GLY 26 -4.324 -0.922 -3.554
195 1HA GLY 26 HA2 GLY 26 -3.281 1.786 -3.848
196 2HA GLY 26 HA1 GLY 26 -2.832 1.040 -2.315
197 H LYS 27 HN LYS 27 -0.651 1.475 -3.561
198 HA LYS 27 HA LYS 27 0.194 -1.141 -4.691
199 1HB LYS 27 HB2 LYS 27 0.837 1.461 -6.092
200 2HB LYS 27 HB1 LYS 27 0.979 -0.180 -6.722
201 1HG LYS 27 HG2 LYS 27 -1.483 -0.417 -6.643
202 2HG LYS 27 HG1 LYS 27 -1.614 1.238 -6.046
203 1HD LYS 27 HD2 LYS 27 -0.149 1.766 -8.200
204 2HD LYS 27 HD1 LYS 27 -0.871 0.261 -8.773
205 1HE LYS 27 HE2 LYS 27 -2.734 1.435 -9.305
206 2HE LYS 27 HE1 LYS 27 -2.974 1.751 -7.575
207 1HZ LYS 27 HZ1 LYS 27 -1.345 3.577 -7.773
208 2HZ LYS 27 HZ2 LYS 27 -2.738 3.838 -8.709
209 3HZ LYS 27 HZ3 LYS 27 -1.296 3.332 -9.450
210 H CYS 28 HN CYS 28 2.752 -0.771 -5.241
211 HA CYS 28 HA CYS 28 3.886 0.709 -2.894
212 1HB CYS 28 HB2 CYS 28 3.810 -1.958 -3.172
213 2HB CYS 28 HB1 CYS 28 5.282 -1.639 -4.092
214 H MET 29 HN MET 29 5.330 2.274 -3.450
215 HA MET 29 HA MET 29 6.932 1.970 -5.947
216 1HB MET 29 HB2 MET 29 4.612 3.556 -5.673
217 2HB MET 29 HB1 MET 29 5.968 4.682 -5.609
218 1HG MET 29 HG2 MET 29 6.553 2.799 -7.654
219 2HG MET 29 HG1 MET 29 4.886 3.323 -7.896
220 1HE MET 29 HE1 MET 29 4.031 5.150 -8.223
221 2HE MET 29 HE2 MET 29 4.746 5.938 -9.629
222 3HE MET 29 HE3 MET 29 4.679 6.791 -8.088
223 H ASN 30 HN ASN 30 8.869 3.309 -5.904
224 HA ASN 30 HA ASN 30 10.734 4.253 -4.795
225 1HB ASN 30 HB2 ASN 30 8.309 5.684 -4.183
226 2HB ASN 30 HB1 ASN 30 9.375 5.730 -2.779
227 1HD2 ASN 30 HD21 ASN 30 11.446 6.820 -3.004
228 2HD2 ASN 30 HD22 ASN 30 11.799 7.797 -4.347
229 H GLY 31 HN GLY 31 9.193 1.779 -3.617
230 1HA GLY 31 HA2 GLY 31 9.786 0.289 -1.882
231 2HA GLY 31 HA1 GLY 31 10.931 1.494 -1.290
232 H LYS 32 HN LYS 32 7.417 1.818 -1.821
233 HA LYS 32 HA LYS 32 6.955 1.912 1.104
234 1HB LYS 32 HB2 LYS 32 6.404 4.258 -0.747
235 2HB LYS 32 HB1 LYS 32 6.109 4.212 0.991
236 1HG LYS 32 HG2 LYS 32 8.569 3.813 1.328
237 2HG LYS 32 HG1 LYS 32 8.796 4.074 -0.402
238 1HD LYS 32 HD2 LYS 32 8.805 6.298 -0.077
239 2HD LYS 32 HD1 LYS 32 7.186 6.208 0.616
240 1HE LYS 32 HE2 LYS 32 7.979 6.453 2.732
241 2HE LYS 32 HE1 LYS 32 9.272 5.266 2.463
242 1HZ LYS 32 HZ1 LYS 32 10.414 7.271 2.630
243 2HZ LYS 32 HZ2 LYS 32 9.231 8.139 1.774
244 3HZ LYS 32 HZ3 LYS 32 10.258 7.063 0.953
245 H CYS 33 HN CYS 33 4.611 2.001 1.591
246 HA CYS 33 HA CYS 33 3.010 0.630 -0.493
247 1HB CYS 33 HB2 CYS 33 3.346 0.398 2.229
248 2HB CYS 33 HB1 CYS 33 1.842 1.310 2.133
249 H LYS 34 HN LYS 34 1.357 1.668 -1.614
250 HA LYS 34 HA LYS 34 0.621 4.439 -0.720
251 1HB LYS 34 HB2 LYS 34 0.958 3.198 -3.465
252 2HB LYS 34 HB1 LYS 34 0.253 4.794 -3.204
253 1HG LYS 34 HG2 LYS 34 2.264 5.745 -2.736
254 2HG LYS 34 HG1 LYS 34 2.817 4.347 -1.814
255 1HD LYS 34 HD2 LYS 34 4.219 4.320 -3.700
256 2HD LYS 34 HD1 LYS 34 2.958 3.164 -4.127
257 1HE LYS 34 HE2 LYS 34 2.082 5.797 -4.892
258 2HE LYS 34 HE1 LYS 34 3.697 5.499 -5.568
259 1HZ LYS 34 HZ1 LYS 34 1.281 3.798 -5.815
260 2HZ LYS 34 HZ2 LYS 34 2.841 3.230 -6.174
261 3HZ LYS 34 HZ3 LYS 34 2.176 4.516 -7.064
262 H CYS 35 HN CYS 35 -1.326 3.949 0.357
263 HA CYS 35 HA CYS 35 -3.314 2.162 -0.897
264 1HB CYS 35 HB2 CYS 35 -3.428 3.893 1.595
265 2HB CYS 35 HB1 CYS 35 -4.509 2.557 1.203
266 H TYR 36 HN TYR 36 -5.484 2.939 -1.445
267 HA TYR 36 HA TYR 36 -5.733 5.894 -1.812
268 1HB TYR 36 HB2 TYR 36 -6.056 3.703 -3.885
269 2HB TYR 36 HB1 TYR 36 -6.555 5.376 -4.144
270 HD1 TYR 36 HD1 TYR 36 -4.069 3.246 -5.016
271 HD2 TYR 36 HD2 TYR 36 -4.535 7.029 -3.041
272 HE1 TYR 36 HE1 TYR 36 -1.741 3.849 -5.623
273 HE2 TYR 36 HE2 TYR 36 -2.210 7.634 -3.647
274 HH TYR 36 HH TYR 36 -0.415 5.954 -5.951
275 HA PRO 37 HA PRO 37 -9.780 5.073 -0.181
276 1HB PRO 37 HB2 PRO 37 -10.871 7.359 -1.539
277 2HB PRO 37 HB1 PRO 37 -10.393 7.228 0.156
278 1HG PRO 37 HG2 PRO 37 -9.078 8.696 -1.923
279 2HG PRO 37 HG1 PRO 37 -8.590 8.535 -0.235
280 1HD PRO 37 HD2 PRO 37 -7.357 7.344 -2.565
281 2HD PRO 37 HD1 PRO 37 -6.843 7.215 -0.865
Start of MODEL 18
1 1H VAL 1 HT1 VAL 1 -2.250 10.427 1.031
2 2H VAL 1 HT2 VAL 1 -2.504 9.154 -0.065
3 3H VAL 1 HT3 VAL 1 -0.943 9.469 0.529
4 HA VAL 1 HA VAL 1 -2.081 9.045 2.841
5 HB VAL 1 HB VAL 1 -3.753 7.514 0.819
6 1HG1 VAL 1 HG11 VAL 1 -5.106 7.363 3.142
7 2HG1 VAL 1 HG12 VAL 1 -3.467 7.479 3.785
8 3HG1 VAL 1 HG13 VAL 1 -3.890 6.172 2.680
9 1HG2 VAL 1 HG21 VAL 1 -5.543 9.056 2.048
10 2HG2 VAL 1 HG22 VAL 1 -4.648 9.647 0.649
11 3HG2 VAL 1 HG23 VAL 1 -4.142 10.102 2.275
12 H PHE 2 HN PHE 2 0.350 8.489 1.967
13 HA PHE 2 HA PHE 2 0.516 5.560 1.391
14 1HB PHE 2 HB2 PHE 2 2.521 7.834 1.216
15 2HB PHE 2 HB1 PHE 2 2.856 6.166 0.758
16 HD1 PHE 2 HD1 PHE 2 -0.396 6.263 -0.102
17 HD2 PHE 2 HD2 PHE 2 3.280 8.155 -1.273
18 HE1 PHE 2 HE1 PHE 2 -1.336 6.696 -2.356
19 HE2 PHE 2 HE2 PHE 2 2.338 8.587 -3.526
20 HZ PHE 2 HZ PHE 2 0.031 7.857 -4.068
21 H ILE 3 HN ILE 3 2.580 4.568 2.499
22 HA ILE 3 HA ILE 3 2.960 5.647 5.256
23 HB ILE 3 HB ILE 3 2.653 3.175 5.981
24 1HG1 ILE 3 HG12 ILE 3 0.926 2.998 3.528
25 2HG1 ILE 3 HG11 ILE 3 2.630 2.554 3.422
26 1HG2 ILE 3 HG21 ILE 3 0.494 5.070 5.095
27 2HG2 ILE 3 HG22 ILE 3 0.994 4.642 6.731
28 3HG2 ILE 3 HG23 ILE 3 0.059 3.499 5.768
29 1HD1 ILE 3 HD11 ILE 3 1.719 1.329 5.773
30 2HD1 ILE 3 HD12 ILE 3 2.058 0.531 4.238
31 3HD1 ILE 3 HD13 ILE 3 0.423 1.080 4.605
32 H ASN 4 HN ASN 4 4.958 4.984 6.209
33 HA ASN 4 HA ASN 4 7.165 4.576 4.442
34 1HB ASN 4 HB2 ASN 4 8.421 4.485 6.491
35 2HB ASN 4 HB1 ASN 4 7.070 5.583 6.782
36 1HD2 ASN 4 HD21 ASN 4 8.704 3.331 8.419
37 2HD2 ASN 4 HD22 ASN 4 7.455 2.581 9.289
38 H ALA 5 HN ALA 5 4.856 2.335 5.577
39 HA ALA 5 HA ALA 5 6.100 -0.050 6.144
40 1HB ALA 5 HB1 ALA 5 3.931 0.324 4.056
41 2HB ALA 5 HB2 ALA 5 3.651 0.433 5.794
42 3HB ALA 5 HB3 ALA 5 4.178 -1.090 5.079
43 H LYS 6 HN LYS 6 8.159 -0.369 5.188
44 HA LYS 6 HA LYS 6 8.987 0.053 2.557
45 1HB LYS 6 HB2 LYS 6 9.613 -2.147 4.548
46 2HB LYS 6 HB1 LYS 6 10.541 -1.898 3.069
47 1HG LYS 6 HG2 LYS 6 10.074 0.477 4.816
48 2HG LYS 6 HG1 LYS 6 11.238 -0.728 5.371
49 1HD LYS 6 HD2 LYS 6 12.267 -0.579 3.022
50 2HD LYS 6 HD1 LYS 6 11.295 0.877 2.812
51 1HE LYS 6 HE2 LYS 6 12.602 1.025 5.368
52 2HE LYS 6 HE1 LYS 6 13.813 0.667 4.120
53 1HZ LYS 6 HZ1 LYS 6 13.099 2.480 2.823
54 2HZ LYS 6 HZ2 LYS 6 13.221 3.090 4.404
55 3HZ LYS 6 HZ3 LYS 6 11.698 2.709 3.751
56 H CYS 7 HN CYS 7 7.401 -0.457 0.972
57 HA CYS 7 HA CYS 7 6.076 -3.051 0.881
58 1HB CYS 7 HB2 CYS 7 5.094 -2.143 -1.122
59 2HB CYS 7 HB1 CYS 7 5.256 -0.800 0.009
60 H ARG 8 HN ARG 8 6.534 -4.761 -0.604
61 HA ARG 8 HA ARG 8 9.238 -4.617 -1.902
62 1HB ARG 8 HB2 ARG 8 7.794 -6.765 -0.344
63 2HB ARG 8 HB1 ARG 8 9.138 -7.163 -1.415
64 1HG ARG 8 HG2 ARG 8 10.515 -5.439 -0.182
65 2HG ARG 8 HG1 ARG 8 9.193 -5.304 0.978
66 1HD ARG 8 HD2 ARG 8 9.897 -8.097 0.499
67 2HD ARG 8 HD1 ARG 8 11.280 -7.160 1.099
68 HE ARG 8 HE ARG 8 9.792 -6.379 2.963
69 1HH1 ARG 8 HH21 ARG 8 8.089 -8.453 0.911
70 2HH1 ARG 8 HH22 ARG 8 7.399 -9.411 2.178
71 1HH2 ARG 8 HH11 ARG 8 9.251 -7.898 4.691
72 2HH2 ARG 8 HH12 ARG 8 8.056 -9.096 4.320
73 H GLY 9 HN GLY 9 5.885 -5.063 -2.368
74 1HA GLY 9 HA2 GLY 9 6.268 -5.604 -5.205
75 2HA GLY 9 HA1 GLY 9 5.577 -6.977 -4.340
76 H SER 10 HN SER 10 4.414 -5.045 -6.377
77 HA SER 10 HA SER 10 2.550 -3.246 -5.334
78 1HB SER 10 HB2 SER 10 3.120 -4.543 -7.754
79 2HB SER 10 HB1 SER 10 1.427 -4.909 -7.439
80 HG SER 10 HG SER 10 2.494 -2.644 -8.312
81 HA PRO 11 HA PRO 11 -0.593 -6.916 -4.825
82 1HB PRO 11 HB2 PRO 11 0.965 -9.305 -4.430
83 2HB PRO 11 HB1 PRO 11 -0.185 -8.955 -5.724
84 1HG PRO 11 HG2 PRO 11 2.661 -9.121 -5.924
85 2HG PRO 11 HG1 PRO 11 1.514 -8.707 -7.200
86 1HD PRO 11 HD2 PRO 11 3.367 -6.962 -5.820
87 2HD PRO 11 HD1 PRO 11 2.270 -6.558 -7.162
88 H GLU 12 HN GLU 12 2.349 -6.293 -3.204
89 HA GLU 12 HA GLU 12 1.587 -7.608 -0.673
90 1HB GLU 12 HB2 GLU 12 3.934 -6.761 -1.961
91 2HB GLU 12 HB1 GLU 12 3.768 -5.683 -0.576
92 1HG GLU 12 HG2 GLU 12 4.419 -7.321 0.817
93 2HG GLU 12 HG1 GLU 12 3.116 -8.359 0.241
94 H CYS 13 HN CYS 13 1.702 -4.331 -2.052
95 HA CYS 13 HA CYS 13 1.055 -2.977 0.431
96 1HB CYS 13 HB2 CYS 13 2.178 -2.111 -1.727
97 2HB CYS 13 HB1 CYS 13 0.544 -1.992 -2.381
98 H LEU 14 HN LEU 14 -0.873 -4.113 -2.360
99 HA LEU 14 HA LEU 14 -3.350 -2.978 -1.863
100 1HB LEU 14 HB2 LEU 14 -2.255 -5.326 -3.138
101 2HB LEU 14 HB1 LEU 14 -3.798 -5.726 -2.386
102 HG LEU 14 HG LEU 14 -4.108 -3.183 -3.620
103 1HD1 LEU 14 HD11 LEU 14 -2.998 -5.269 -5.520
104 2HD1 LEU 14 HD12 LEU 14 -2.086 -3.872 -4.950
105 3HD1 LEU 14 HD13 LEU 14 -3.533 -3.638 -5.931
106 1HD2 LEU 14 HD21 LEU 14 -5.929 -4.241 -4.674
107 2HD2 LEU 14 HD22 LEU 14 -5.699 -5.217 -3.222
108 3HD2 LEU 14 HD23 LEU 14 -5.089 -5.788 -4.775
109 HA PRO 15 HA PRO 15 -4.343 -6.392 1.448
110 1HB PRO 15 HB2 PRO 15 -1.826 -7.421 2.385
111 2HB PRO 15 HB1 PRO 15 -3.121 -8.302 1.570
112 1HG PRO 15 HG2 PRO 15 -0.553 -7.578 0.518
113 2HG PRO 15 HG1 PRO 15 -1.850 -8.459 -0.294
114 1HD PRO 15 HD2 PRO 15 -0.972 -5.760 -0.788
115 2HD PRO 15 HD1 PRO 15 -2.286 -6.651 -1.592
116 H LYS 16 HN LYS 16 -1.076 -4.966 1.861
117 HA LYS 16 HA LYS 16 -1.202 -4.305 4.598
118 1HB LYS 16 HB2 LYS 16 0.089 -3.040 2.172
119 2HB LYS 16 HB1 LYS 16 0.377 -2.421 3.798
120 1HG LYS 16 HG2 LYS 16 1.267 -4.551 4.522
121 2HG LYS 16 HG1 LYS 16 0.812 -5.310 2.996
122 1HD LYS 16 HD2 LYS 16 2.422 -4.033 1.771
123 2HD LYS 16 HD1 LYS 16 2.714 -2.963 3.141
124 1HE LYS 16 HE2 LYS 16 3.187 -5.622 4.053
125 2HE LYS 16 HE1 LYS 16 4.054 -5.421 2.517
126 1HZ LYS 16 HZ1 LYS 16 5.361 -4.583 4.389
127 2HZ LYS 16 HZ2 LYS 16 4.112 -3.503 4.788
128 3HZ LYS 16 HZ3 LYS 16 4.949 -3.334 3.318
129 H CYS 17 HN CYS 17 -2.306 -2.414 1.778
130 HA CYS 17 HA CYS 17 -3.183 -0.101 3.212
131 1HB CYS 17 HB2 CYS 17 -4.252 -1.352 0.660
132 2HB CYS 17 HB1 CYS 17 -4.414 0.339 1.132
133 H LYS 18 HN LYS 18 -4.840 -3.131 2.350
134 HA LYS 18 HA LYS 18 -7.462 -2.421 3.229
135 1HB LYS 18 HB2 LYS 18 -6.793 -4.384 1.840
136 2HB LYS 18 HB1 LYS 18 -6.039 -5.104 3.264
137 1HG LYS 18 HG2 LYS 18 -8.053 -5.619 4.240
138 2HG LYS 18 HG1 LYS 18 -8.868 -4.217 3.545
139 1HD LYS 18 HD2 LYS 18 -9.451 -5.334 1.644
140 2HD LYS 18 HD1 LYS 18 -7.932 -6.231 1.589
141 1HE LYS 18 HE2 LYS 18 -9.046 -7.324 3.821
142 2HE LYS 18 HE1 LYS 18 -10.502 -6.970 2.869
143 1HZ LYS 18 HZ1 LYS 18 -9.950 -8.860 1.803
144 2HZ LYS 18 HZ2 LYS 18 -8.326 -8.803 2.299
145 3HZ LYS 18 HZ3 LYS 18 -8.846 -7.871 0.978
146 H GLU 19 HN GLU 19 -4.580 -3.400 4.981
147 HA GLU 19 HA GLU 19 -6.040 -3.933 7.484
148 1HB GLU 19 HB2 GLU 19 -3.510 -4.494 6.294
149 2HB GLU 19 HB1 GLU 19 -3.204 -3.618 7.795
150 1HG GLU 19 HG2 GLU 19 -5.255 -5.428 8.421
151 2HG GLU 19 HG1 GLU 19 -4.121 -6.346 7.428
152 H ALA 20 HN ALA 20 -4.133 -1.314 6.044
153 HA ALA 20 HA ALA 20 -4.254 0.258 8.562
154 1HB ALA 20 HB1 ALA 20 -2.200 0.672 7.659
155 2HB ALA 20 HB2 ALA 20 -3.066 1.813 6.632
156 3HB ALA 20 HB3 ALA 20 -2.716 0.188 6.044
157 H ILE 21 HN ILE 21 -5.935 -0.063 5.553
158 HA ILE 21 HA ILE 21 -7.459 2.452 6.154
159 HB ILE 21 HB ILE 21 -6.712 1.286 3.452
160 1HG1 ILE 21 HG12 ILE 21 -5.626 3.824 4.669
161 2HG1 ILE 21 HG11 ILE 21 -4.849 2.270 4.971
162 1HG2 ILE 21 HG21 ILE 21 -8.831 2.704 3.673
163 2HG2 ILE 21 HG22 ILE 21 -7.631 3.280 2.516
164 3HG2 ILE 21 HG23 ILE 21 -7.768 4.045 4.098
165 1HD1 ILE 21 HD11 ILE 21 -3.743 2.599 3.030
166 2HD1 ILE 21 HD12 ILE 21 -4.812 3.922 2.562
167 3HD1 ILE 21 HD13 ILE 21 -5.275 2.253 2.227
168 H GLY 22 HN GLY 22 -7.551 -0.713 4.483
169 1HA GLY 22 HA2 GLY 22 -9.329 -2.319 4.813
170 2HA GLY 22 HA1 GLY 22 -10.368 -1.009 5.377
171 H LYS 23 HN LYS 23 -8.411 -0.926 2.424
172 HA LYS 23 HA LYS 23 -10.935 -1.104 0.820
173 1HB LYS 23 HB2 LYS 23 -9.527 1.214 1.436
174 2HB LYS 23 HB1 LYS 23 -8.937 0.796 -0.173
175 1HG LYS 23 HG2 LYS 23 -11.748 0.372 -0.183
176 2HG LYS 23 HG1 LYS 23 -11.464 1.949 0.553
177 1HD LYS 23 HD2 LYS 23 -11.016 2.830 -1.465
178 2HD LYS 23 HD1 LYS 23 -9.706 1.670 -1.691
179 1HE LYS 23 HE2 LYS 23 -11.034 0.989 -3.452
180 2HE LYS 23 HE1 LYS 23 -11.848 0.059 -2.177
181 1HZ LYS 23 HZ1 LYS 23 -13.218 2.087 -1.762
182 2HZ LYS 23 HZ2 LYS 23 -13.505 1.348 -3.264
183 3HZ LYS 23 HZ3 LYS 23 -12.568 2.762 -3.175
184 H ALA 24 HN ALA 24 -7.926 -2.368 1.365
185 HA ALA 24 HA ALA 24 -6.333 -3.505 0.014
186 1HB ALA 24 HB1 ALA 24 -8.419 -4.530 -1.750
187 2HB ALA 24 HB2 ALA 24 -8.941 -4.508 -0.065
188 3HB ALA 24 HB3 ALA 24 -7.479 -5.382 -0.526
189 H ALA 25 HN ALA 25 -6.502 -0.843 -0.874
190 HA ALA 25 HA ALA 25 -6.267 -1.203 -3.841
191 1HB ALA 25 HB1 ALA 25 -7.535 1.059 -2.262
192 2HB ALA 25 HB2 ALA 25 -8.382 -0.103 -3.283
193 3HB ALA 25 HB3 ALA 25 -7.291 1.078 -4.009
194 H GLY 26 HN GLY 26 -4.037 -1.039 -4.078
195 1HA GLY 26 HA2 GLY 26 -2.713 1.438 -3.883
196 2HA GLY 26 HA1 GLY 26 -2.358 0.569 -2.389
197 H LYS 27 HN LYS 27 -0.158 0.995 -3.742
198 HA LYS 27 HA LYS 27 0.516 -1.660 -4.912
199 1HB LYS 27 HB2 LYS 27 0.862 1.059 -6.215
200 2HB LYS 27 HB1 LYS 27 1.674 -0.399 -6.790
201 1HG LYS 27 HG2 LYS 27 -0.185 -0.680 -8.063
202 2HG LYS 27 HG1 LYS 27 -0.921 -1.265 -6.572
203 1HD LYS 27 HD2 LYS 27 -2.426 0.402 -6.817
204 2HD LYS 27 HD1 LYS 27 -1.124 1.501 -6.357
205 1HE LYS 27 HE2 LYS 27 -0.826 0.812 -9.141
206 2HE LYS 27 HE1 LYS 27 -2.471 1.414 -8.850
207 1HZ LYS 27 HZ1 LYS 27 -1.185 3.336 -9.113
208 2HZ LYS 27 HZ2 LYS 27 0.104 2.720 -8.194
209 3HZ LYS 27 HZ3 LYS 27 -1.344 3.176 -7.433
210 H CYS 28 HN CYS 28 3.124 -1.091 -5.663
211 HA CYS 28 HA CYS 28 4.364 -0.010 -3.152
212 1HB CYS 28 HB2 CYS 28 4.500 -2.399 -3.090
213 2HB CYS 28 HB1 CYS 28 4.942 -2.487 -4.796
214 H MET 29 HN MET 29 5.669 1.705 -3.629
215 HA MET 29 HA MET 29 7.340 1.638 -6.083
216 1HB MET 29 HB2 MET 29 4.896 2.798 -6.174
217 2HB MET 29 HB1 MET 29 5.843 4.157 -5.570
218 1HG MET 29 HG2 MET 29 6.040 4.413 -7.890
219 2HG MET 29 HG1 MET 29 7.506 3.518 -7.487
220 1HE MET 29 HE1 MET 29 7.398 2.626 -10.422
221 2HE MET 29 HE2 MET 29 7.594 0.969 -9.857
222 3HE MET 29 HE3 MET 29 8.277 2.296 -8.923
223 H ASN 30 HN ASN 30 9.329 2.564 -5.656
224 HA ASN 30 HA ASN 30 11.019 3.739 -4.490
225 1HB ASN 30 HB2 ASN 30 8.507 5.228 -4.272
226 2HB ASN 30 HB1 ASN 30 9.597 5.551 -2.923
227 1HD2 ASN 30 HD21 ASN 30 11.838 6.301 -3.502
228 2HD2 ASN 30 HD22 ASN 30 12.084 7.117 -4.969
229 H GLY 31 HN GLY 31 9.680 1.337 -3.298
230 1HA GLY 31 HA2 GLY 31 9.790 0.149 -1.278
231 2HA GLY 31 HA1 GLY 31 10.933 1.374 -0.729
232 H LYS 32 HN LYS 32 7.629 2.069 -1.760
233 HA LYS 32 HA LYS 32 6.880 2.589 1.092
234 1HB LYS 32 HB2 LYS 32 6.303 4.442 -1.233
235 2HB LYS 32 HB1 LYS 32 6.124 4.787 0.488
236 1HG LYS 32 HG2 LYS 32 8.748 4.084 0.404
237 2HG LYS 32 HG1 LYS 32 8.560 4.804 -1.196
238 1HD LYS 32 HD2 LYS 32 7.327 6.718 0.099
239 2HD LYS 32 HD1 LYS 32 8.178 6.073 1.503
240 1HE LYS 32 HE2 LYS 32 10.314 6.517 0.553
241 2HE LYS 32 HE1 LYS 32 9.630 6.748 -1.068
242 1HZ LYS 32 HZ1 LYS 32 10.027 8.884 -0.020
243 2HZ LYS 32 HZ2 LYS 32 9.080 8.435 1.317
244 3HZ LYS 32 HZ3 LYS 32 8.360 8.632 -0.210
245 H CYS 33 HN CYS 33 4.599 2.407 1.489
246 HA CYS 33 HA CYS 33 3.151 0.775 -0.521
247 1HB CYS 33 HB2 CYS 33 3.425 0.712 2.207
248 2HB CYS 33 HB1 CYS 33 1.878 1.541 2.037
249 H LYS 34 HN LYS 34 1.881 1.856 -1.989
250 HA LYS 34 HA LYS 34 0.835 4.557 -1.271
251 1HB LYS 34 HB2 LYS 34 0.911 3.075 -3.918
252 2HB LYS 34 HB1 LYS 34 0.597 4.795 -3.685
253 1HG LYS 34 HG2 LYS 34 2.982 4.495 -2.368
254 2HG LYS 34 HG1 LYS 34 3.160 3.339 -3.688
255 1HD LYS 34 HD2 LYS 34 2.205 6.170 -4.147
256 2HD LYS 34 HD1 LYS 34 3.916 5.736 -4.180
257 1HE LYS 34 HE2 LYS 34 3.715 4.886 -6.271
258 2HE LYS 34 HE1 LYS 34 2.343 3.873 -5.775
259 1HZ LYS 34 HZ1 LYS 34 2.243 6.769 -6.444
260 2HZ LYS 34 HZ2 LYS 34 0.933 5.864 -5.850
261 3HZ LYS 34 HZ3 LYS 34 1.597 5.503 -7.372
262 H CYS 35 HN CYS 35 -1.115 4.240 -0.173
263 HA CYS 35 HA CYS 35 -3.109 2.384 -1.428
264 1HB CYS 35 HB2 CYS 35 -3.146 3.546 1.368
265 2HB CYS 35 HB1 CYS 35 -4.004 2.128 0.772
266 H TYR 36 HN TYR 36 -5.422 3.188 -1.208
267 HA TYR 36 HA TYR 36 -5.523 6.155 -1.640
268 1HB TYR 36 HB2 TYR 36 -6.724 3.759 -2.919
269 2HB TYR 36 HB1 TYR 36 -7.786 5.159 -2.770
270 HD1 TYR 36 HD1 TYR 36 -4.366 4.159 -3.913
271 HD2 TYR 36 HD2 TYR 36 -7.607 6.953 -4.278
272 HE1 TYR 36 HE1 TYR 36 -3.221 5.235 -5.830
273 HE2 TYR 36 HE2 TYR 36 -6.463 8.030 -6.198
274 HH TYR 36 HH TYR 36 -4.781 7.802 -7.698
275 HA PRO 37 HA PRO 37 -8.204 6.665 1.805
276 1HB PRO 37 HB2 PRO 37 -10.110 8.279 0.375
277 2HB PRO 37 HB1 PRO 37 -8.821 8.818 1.455
278 1HG PRO 37 HG2 PRO 37 -8.943 9.065 -1.402
279 2HG PRO 37 HG1 PRO 37 -7.660 9.608 -0.317
280 1HD PRO 37 HD2 PRO 37 -7.584 7.402 -2.170
281 2HD PRO 37 HD1 PRO 37 -6.302 7.932 -1.055
Start of MODEL 19
1 1H VAL 1 HT1 VAL 1 -3.991 8.311 2.704
2 2H VAL 1 HT2 VAL 1 -2.338 8.641 2.489
3 3H VAL 1 HT3 VAL 1 -3.206 9.409 3.730
4 HA VAL 1 HA VAL 1 -2.436 7.807 5.075
5 HB VAL 1 HB VAL 1 -4.472 6.409 3.319
6 1HG1 VAL 1 HG11 VAL 1 -2.815 5.387 5.557
7 2HG1 VAL 1 HG12 VAL 1 -3.624 4.506 4.260
8 3HG1 VAL 1 HG13 VAL 1 -4.541 5.042 5.667
9 1HG2 VAL 1 HG21 VAL 1 -5.725 7.930 4.484
10 2HG2 VAL 1 HG22 VAL 1 -4.495 8.138 5.729
11 3HG2 VAL 1 HG23 VAL 1 -5.578 6.747 5.784
12 H PHE 2 HN PHE 2 -0.358 8.050 3.515
13 HA PHE 2 HA PHE 2 0.239 5.557 2.037
14 1HB PHE 2 HB2 PHE 2 1.437 8.277 2.435
15 2HB PHE 2 HB1 PHE 2 2.479 6.976 1.860
16 HD1 PHE 2 HD1 PHE 2 -1.150 7.233 1.170
17 HD2 PHE 2 HD2 PHE 2 2.815 7.768 -0.392
18 HE1 PHE 2 HE1 PHE 2 -2.085 7.496 -1.112
19 HE2 PHE 2 HE2 PHE 2 1.881 8.031 -2.675
20 HZ PHE 2 HZ PHE 2 -0.570 7.895 -3.034
21 H ILE 3 HN ILE 3 2.364 4.442 2.545
22 HA ILE 3 HA ILE 3 3.272 4.735 5.365
23 HB ILE 3 HB ILE 3 2.868 2.320 5.744
24 1HG1 ILE 3 HG12 ILE 3 1.643 2.473 2.972
25 2HG1 ILE 3 HG11 ILE 3 3.064 1.539 3.441
26 1HG2 ILE 3 HG21 ILE 3 0.382 3.727 4.723
27 2HG2 ILE 3 HG22 ILE 3 1.117 4.030 6.297
28 3HG2 ILE 3 HG23 ILE 3 0.445 2.441 5.929
29 1HD1 ILE 3 HD11 ILE 3 0.599 0.458 3.341
30 2HD1 ILE 3 HD12 ILE 3 0.577 1.052 5.001
31 3HD1 ILE 3 HD13 ILE 3 1.823 -0.084 4.488
32 H ASN 4 HN ASN 4 5.459 4.351 5.514
33 HA ASN 4 HA ASN 4 6.863 3.401 3.061
34 1HB ASN 4 HB2 ASN 4 8.809 4.479 4.202
35 2HB ASN 4 HB1 ASN 4 7.453 5.590 3.995
36 1HD2 ASN 4 HD21 ASN 4 9.679 4.563 6.273
37 2HD2 ASN 4 HD22 ASN 4 8.814 4.939 7.684
38 H ALA 5 HN ALA 5 5.820 1.204 4.135
39 HA ALA 5 HA ALA 5 7.505 0.076 6.270
40 1HB ALA 5 HB1 ALA 5 5.931 -1.927 5.132
41 2HB ALA 5 HB2 ALA 5 4.989 -0.458 4.880
42 3HB ALA 5 HB3 ALA 5 5.482 -0.920 6.508
43 H LYS 6 HN LYS 6 8.390 0.761 3.305
44 HA LYS 6 HA LYS 6 9.814 -0.217 1.681
45 1HB LYS 6 HB2 LYS 6 10.588 -0.934 4.405
46 2HB LYS 6 HB1 LYS 6 11.181 -2.093 3.215
47 1HG LYS 6 HG2 LYS 6 11.629 0.380 2.013
48 2HG LYS 6 HG1 LYS 6 12.046 0.651 3.705
49 1HD LYS 6 HD2 LYS 6 13.046 -1.912 2.742
50 2HD LYS 6 HD1 LYS 6 13.670 -0.565 1.790
51 1HE LYS 6 HE2 LYS 6 13.686 -0.496 4.817
52 2HE LYS 6 HE1 LYS 6 15.028 -1.187 3.887
53 1HZ LYS 6 HZ1 LYS 6 14.240 1.225 2.680
54 2HZ LYS 6 HZ2 LYS 6 15.728 0.849 3.406
55 3HZ LYS 6 HZ3 LYS 6 14.474 1.520 4.333
56 H CYS 7 HN CYS 7 7.875 -1.309 0.667
57 HA CYS 7 HA CYS 7 7.191 -4.036 1.357
58 1HB CYS 7 HB2 CYS 7 5.820 -3.897 -0.611
59 2HB CYS 7 HB1 CYS 7 5.820 -2.286 0.104
60 H ARG 8 HN ARG 8 7.298 -5.431 -1.054
61 HA ARG 8 HA ARG 8 10.243 -5.598 -1.606
62 1HB ARG 8 HB2 ARG 8 8.183 -7.617 -0.808
63 2HB ARG 8 HB1 ARG 8 9.478 -8.141 -1.885
64 1HG ARG 8 HG2 ARG 8 11.085 -7.027 -0.203
65 2HG ARG 8 HG1 ARG 8 9.712 -7.010 0.904
66 1HD ARG 8 HD2 ARG 8 10.961 -9.056 1.315
67 2HD ARG 8 HD1 ARG 8 9.468 -9.510 0.470
68 HE ARG 8 HE ARG 8 11.467 -8.909 -1.478
69 1HH1 ARG 8 HH21 ARG 8 9.833 -11.375 -1.619
70 2HH1 ARG 8 HH22 ARG 8 10.991 -12.621 -1.289
71 1HH2 ARG 8 HH11 ARG 8 13.335 -10.453 0.066
72 2HH2 ARG 8 HH12 ARG 8 12.972 -12.099 -0.334
73 H GLY 9 HN GLY 9 7.017 -5.501 -2.902
74 1HA GLY 9 HA2 GLY 9 8.142 -5.487 -5.624
75 2HA GLY 9 HA1 GLY 9 7.009 -6.792 -5.288
76 H SER 10 HN SER 10 4.941 -5.787 -4.005
77 HA SER 10 HA SER 10 4.024 -3.171 -4.510
78 1HB SER 10 HB2 SER 10 4.279 -4.875 -6.863
79 2HB SER 10 HB1 SER 10 2.640 -4.263 -6.672
80 HG SER 10 HG SER 10 5.056 -2.770 -6.728
81 HA PRO 11 HA PRO 11 0.123 -6.105 -4.413
82 1HB PRO 11 HB2 PRO 11 1.131 -8.734 -3.807
83 2HB PRO 11 HB1 PRO 11 0.201 -8.215 -5.215
84 1HG PRO 11 HG2 PRO 11 3.000 -8.879 -5.081
85 2HG PRO 11 HG1 PRO 11 2.053 -8.418 -6.498
86 1HD PRO 11 HD2 PRO 11 4.059 -6.873 -5.183
87 2HD PRO 11 HD1 PRO 11 3.011 -6.347 -6.520
88 H GLU 12 HN GLU 12 2.923 -6.078 -2.406
89 HA GLU 12 HA GLU 12 1.732 -7.194 -0.001
90 1HB GLU 12 HB2 GLU 12 4.221 -6.065 -0.938
91 2HB GLU 12 HB1 GLU 12 3.789 -5.330 0.606
92 1HG GLU 12 HG2 GLU 12 4.984 -7.257 1.242
93 2HG GLU 12 HG1 GLU 12 3.299 -7.760 1.380
94 H CYS 13 HN CYS 13 1.898 -4.013 -1.493
95 HA CYS 13 HA CYS 13 1.015 -2.456 0.765
96 1HB CYS 13 HB2 CYS 13 2.170 -1.452 -1.091
97 2HB CYS 13 HB1 CYS 13 1.002 -2.096 -2.243
98 H LEU 14 HN LEU 14 -0.692 -4.315 -1.713
99 HA LEU 14 HA LEU 14 -3.271 -3.141 -1.486
100 1HB LEU 14 HB2 LEU 14 -2.010 -5.389 -2.690
101 2HB LEU 14 HB1 LEU 14 -3.430 -5.989 -1.834
102 HG LEU 14 HG LEU 14 -4.844 -4.342 -2.965
103 1HD1 LEU 14 HD11 LEU 14 -2.180 -3.388 -3.957
104 2HD1 LEU 14 HD12 LEU 14 -3.560 -2.449 -3.385
105 3HD1 LEU 14 HD13 LEU 14 -3.596 -3.183 -4.989
106 1HD2 LEU 14 HD21 LEU 14 -4.131 -6.604 -4.025
107 2HD2 LEU 14 HD22 LEU 14 -3.142 -5.619 -5.103
108 3HD2 LEU 14 HD23 LEU 14 -4.892 -5.406 -5.074
109 HA PRO 15 HA PRO 15 -4.246 -6.479 1.911
110 1HB PRO 15 HB2 PRO 15 -1.731 -7.257 3.067
111 2HB PRO 15 HB1 PRO 15 -2.899 -8.275 2.220
112 1HG PRO 15 HG2 PRO 15 -0.327 -7.382 1.293
113 2HG PRO 15 HG1 PRO 15 -1.480 -8.436 0.468
114 1HD PRO 15 HD2 PRO 15 -0.814 -5.724 -0.188
115 2HD PRO 15 HD1 PRO 15 -2.028 -6.763 -0.966
116 H LYS 16 HN LYS 16 -1.156 -4.735 2.447
117 HA LYS 16 HA LYS 16 -1.673 -3.959 5.150
118 1HB LYS 16 HB2 LYS 16 0.080 -3.119 2.878
119 2HB LYS 16 HB1 LYS 16 -0.026 -2.043 4.273
120 1HG LYS 16 HG2 LYS 16 0.557 -5.003 4.516
121 2HG LYS 16 HG1 LYS 16 1.823 -3.780 4.402
122 1HD LYS 16 HD2 LYS 16 1.510 -3.094 6.542
123 2HD LYS 16 HD1 LYS 16 -0.248 -3.149 6.392
124 1HE LYS 16 HE2 LYS 16 0.153 -5.776 6.392
125 2HE LYS 16 HE1 LYS 16 1.644 -5.317 7.239
126 1HZ LYS 16 HZ1 LYS 16 0.512 -4.572 9.010
127 2HZ LYS 16 HZ2 LYS 16 -0.762 -5.530 8.427
128 3HZ LYS 16 HZ3 LYS 16 -0.715 -3.871 8.075
129 H CYS 17 HN CYS 17 -2.619 -2.510 2.057
130 HA CYS 17 HA CYS 17 -3.469 0.041 3.047
131 1HB CYS 17 HB2 CYS 17 -4.089 -1.716 0.680
132 2HB CYS 17 HB1 CYS 17 -4.957 -0.198 0.903
133 H LYS 18 HN LYS 18 -5.380 -2.915 2.340
134 HA LYS 18 HA LYS 18 -7.886 -1.971 3.273
135 1HB LYS 18 HB2 LYS 18 -7.518 -4.023 1.967
136 2HB LYS 18 HB1 LYS 18 -6.652 -4.745 3.323
137 1HG LYS 18 HG2 LYS 18 -8.990 -3.988 4.528
138 2HG LYS 18 HG1 LYS 18 -9.556 -4.409 2.911
139 1HD LYS 18 HD2 LYS 18 -9.561 -6.546 3.673
140 2HD LYS 18 HD1 LYS 18 -7.812 -6.468 3.462
141 1HE LYS 18 HE2 LYS 18 -7.643 -5.587 5.830
142 2HE LYS 18 HE1 LYS 18 -9.372 -5.947 6.014
143 1HZ LYS 18 HZ1 LYS 18 -8.512 -7.958 6.603
144 2HZ LYS 18 HZ2 LYS 18 -7.119 -7.782 5.647
145 3HZ LYS 18 HZ3 LYS 18 -8.600 -8.201 4.927
146 H GLU 19 HN GLU 19 -5.165 -3.418 5.044
147 HA GLU 19 HA GLU 19 -6.603 -3.623 7.568
148 1HB GLU 19 HB2 GLU 19 -3.648 -3.623 6.868
149 2HB GLU 19 HB1 GLU 19 -4.329 -4.155 8.405
150 1HG GLU 19 HG2 GLU 19 -5.340 -5.360 5.846
151 2HG GLU 19 HG1 GLU 19 -3.818 -5.928 6.532
152 H ALA 20 HN ALA 20 -4.976 -1.069 5.880
153 HA ALA 20 HA ALA 20 -4.878 0.567 8.392
154 1HB ALA 20 HB1 ALA 20 -3.342 0.621 5.784
155 2HB ALA 20 HB2 ALA 20 -2.713 0.294 7.399
156 3HB ALA 20 HB3 ALA 20 -3.241 1.921 6.971
157 H ILE 21 HN ILE 21 -6.564 0.163 5.449
158 HA ILE 21 HA ILE 21 -7.695 2.925 5.722
159 HB ILE 21 HB ILE 21 -6.032 2.422 3.790
160 1HG1 ILE 21 HG12 ILE 21 -8.665 3.374 2.727
161 2HG1 ILE 21 HG11 ILE 21 -7.926 4.268 4.057
162 1HG2 ILE 21 HG21 ILE 21 -7.617 0.257 3.362
163 2HG2 ILE 21 HG22 ILE 21 -6.638 1.008 2.103
164 3HG2 ILE 21 HG23 ILE 21 -8.348 1.409 2.245
165 1HD1 ILE 21 HD11 ILE 21 -6.239 3.522 1.691
166 2HD1 ILE 21 HD12 ILE 21 -6.073 4.889 2.793
167 3HD1 ILE 21 HD13 ILE 21 -7.336 4.895 1.563
168 H GLY 22 HN GLY 22 -8.240 -0.478 4.959
169 1HA GLY 22 HA2 GLY 22 -10.448 -1.375 5.735
170 2HA GLY 22 HA1 GLY 22 -11.180 0.074 5.046
171 H LYS 23 HN LYS 23 -9.638 0.117 2.621
172 HA LYS 23 HA LYS 23 -10.662 -2.365 1.276
173 1HB LYS 23 HB2 LYS 23 -10.543 0.473 0.208
174 2HB LYS 23 HB1 LYS 23 -11.311 -0.911 -0.570
175 1HG LYS 23 HG2 LYS 23 -12.759 -1.096 1.540
176 2HG LYS 23 HG1 LYS 23 -12.159 0.508 1.961
177 1HD LYS 23 HD2 LYS 23 -13.898 1.267 0.715
178 2HD LYS 23 HD1 LYS 23 -12.886 0.850 -0.667
179 1HE LYS 23 HE2 LYS 23 -14.030 -1.586 -0.021
180 2HE LYS 23 HE1 LYS 23 -15.351 -0.437 0.275
181 1HZ LYS 23 HZ1 LYS 23 -14.850 -1.289 -2.140
182 2HZ LYS 23 HZ2 LYS 23 -13.672 -0.065 -2.101
183 3HZ LYS 23 HZ3 LYS 23 -15.310 0.321 -1.865
184 H ALA 24 HN ALA 24 -9.141 -3.425 0.037
185 HA ALA 24 HA ALA 24 -6.382 -2.501 0.000
186 1HB ALA 24 HB1 ALA 24 -7.985 -4.858 -0.667
187 2HB ALA 24 HB2 ALA 24 -6.322 -4.768 -0.091
188 3HB ALA 24 HB3 ALA 24 -6.669 -4.599 -1.811
189 H ALA 25 HN ALA 25 -6.455 -0.489 -1.190
190 HA ALA 25 HA ALA 25 -6.673 -0.873 -4.145
191 1HB ALA 25 HB1 ALA 25 -8.666 0.216 -3.991
192 2HB ALA 25 HB2 ALA 25 -7.697 1.659 -3.690
193 3HB ALA 25 HB3 ALA 25 -8.344 0.733 -2.336
194 H GLY 26 HN GLY 26 -4.324 -0.745 -4.152
195 1HA GLY 26 HA2 GLY 26 -3.245 1.849 -4.541
196 2HA GLY 26 HA1 GLY 26 -2.833 1.345 -2.902
197 H LYS 27 HN LYS 27 -0.623 1.611 -4.149
198 HA LYS 27 HA LYS 27 0.266 -1.138 -4.840
199 1HB LYS 27 HB2 LYS 27 0.989 1.181 -6.630
200 2HB LYS 27 HB1 LYS 27 1.034 -0.542 -6.994
201 1HG LYS 27 HG2 LYS 27 -1.433 -0.627 -6.929
202 2HG LYS 27 HG1 LYS 27 -1.484 1.099 -6.569
203 1HD LYS 27 HD2 LYS 27 -0.212 -0.083 -9.055
204 2HD LYS 27 HD1 LYS 27 -1.845 0.580 -8.997
205 1HE LYS 27 HE2 LYS 27 0.401 2.292 -7.985
206 2HE LYS 27 HE1 LYS 27 0.186 2.121 -9.737
207 1HZ LYS 27 HZ1 LYS 27 -1.894 3.029 -9.675
208 2HZ LYS 27 HZ2 LYS 27 -1.185 3.889 -8.392
209 3HZ LYS 27 HZ3 LYS 27 -2.188 2.555 -8.073
210 H CYS 28 HN CYS 28 2.811 -1.007 -5.173
211 HA CYS 28 HA CYS 28 3.848 0.861 -3.080
212 1HB CYS 28 HB2 CYS 28 3.955 -1.661 -2.780
213 2HB CYS 28 HB1 CYS 28 5.094 -1.691 -4.128
214 H MET 29 HN MET 29 5.309 2.397 -3.702
215 HA MET 29 HA MET 29 6.715 2.040 -6.327
216 1HB MET 29 HB2 MET 29 4.721 3.595 -6.355
217 2HB MET 29 HB1 MET 29 5.572 4.609 -5.190
218 1HG MET 29 HG2 MET 29 7.082 5.363 -6.741
219 2HG MET 29 HG1 MET 29 7.100 3.834 -7.617
220 1HE MET 29 HE1 MET 29 5.268 7.492 -7.508
221 2HE MET 29 HE2 MET 29 5.724 7.443 -9.210
222 3HE MET 29 HE3 MET 29 6.900 6.997 -7.977
223 H ASN 30 HN ASN 30 8.900 2.571 -6.252
224 HA ASN 30 HA ASN 30 10.979 3.214 -5.328
225 1HB ASN 30 HB2 ASN 30 8.917 5.093 -4.369
226 2HB ASN 30 HB1 ASN 30 10.367 5.046 -3.368
227 1HD2 ASN 30 HD21 ASN 30 10.068 4.601 -6.926
228 2HD2 ASN 30 HD22 ASN 30 11.090 5.896 -7.324
229 H GLY 31 HN GLY 31 8.873 1.280 -3.863
230 1HA GLY 31 HA2 GLY 31 9.507 -0.351 -2.201
231 2HA GLY 31 HA1 GLY 31 10.692 0.793 -1.572
232 H LYS 32 HN LYS 32 7.586 2.115 -2.233
233 HA LYS 32 HA LYS 32 6.848 1.874 0.663
234 1HB LYS 32 HB2 LYS 32 6.615 4.345 -1.083
235 2HB LYS 32 HB1 LYS 32 6.333 4.246 0.656
236 1HG LYS 32 HG2 LYS 32 8.917 3.185 0.218
237 2HG LYS 32 HG1 LYS 32 8.821 4.661 -0.743
238 1HD LYS 32 HD2 LYS 32 7.904 5.826 1.306
239 2HD LYS 32 HD1 LYS 32 8.288 4.370 2.223
240 1HE LYS 32 HE2 LYS 32 10.431 5.069 2.421
241 2HE LYS 32 HE1 LYS 32 10.588 5.085 0.653
242 1HZ LYS 32 HZ1 LYS 32 10.862 7.306 1.229
243 2HZ LYS 32 HZ2 LYS 32 9.675 7.250 2.443
244 3HZ LYS 32 HZ3 LYS 32 9.221 7.229 0.806
245 H CYS 33 HN CYS 33 4.625 1.641 1.046
246 HA CYS 33 HA CYS 33 2.959 0.896 -1.260
247 1HB CYS 33 HB2 CYS 33 2.789 -0.514 0.622
248 2HB CYS 33 HB1 CYS 33 2.779 0.840 1.747
249 H LYS 34 HN LYS 34 1.094 1.997 -1.936
250 HA LYS 34 HA LYS 34 0.499 4.629 -0.631
251 1HB LYS 34 HB2 LYS 34 0.609 4.047 -3.609
252 2HB LYS 34 HB1 LYS 34 0.391 5.624 -2.849
253 1HG LYS 34 HG2 LYS 34 2.650 5.292 -1.747
254 2HG LYS 34 HG1 LYS 34 2.863 3.879 -2.781
255 1HD LYS 34 HD2 LYS 34 2.189 6.610 -3.890
256 2HD LYS 34 HD1 LYS 34 3.850 6.061 -3.670
257 1HE LYS 34 HE2 LYS 34 3.684 5.069 -5.705
258 2HE LYS 34 HE1 LYS 34 2.532 3.933 -4.976
259 1HZ LYS 34 HZ1 LYS 34 0.730 5.261 -5.548
260 2HZ LYS 34 HZ2 LYS 34 1.722 5.369 -6.922
261 3HZ LYS 34 HZ3 LYS 34 1.684 6.640 -5.796
262 H CYS 35 HN CYS 35 -1.488 3.977 0.278
263 HA CYS 35 HA CYS 35 -3.402 2.360 -1.245
264 1HB CYS 35 HB2 CYS 35 -3.741 3.905 1.342
265 2HB CYS 35 HB1 CYS 35 -4.693 2.523 0.798
266 H TYR 36 HN TYR 36 -5.703 3.202 -1.469
267 HA TYR 36 HA TYR 36 -5.701 6.105 -2.233
268 1HB TYR 36 HB2 TYR 36 -6.510 3.594 -3.599
269 2HB TYR 36 HB1 TYR 36 -7.607 4.960 -3.803
270 HD1 TYR 36 HD1 TYR 36 -6.994 6.877 -5.108
271 HD2 TYR 36 HD2 TYR 36 -4.109 3.808 -4.264
272 HE1 TYR 36 HE1 TYR 36 -5.448 7.873 -6.772
273 HE2 TYR 36 HE2 TYR 36 -2.563 4.805 -5.928
274 HH TYR 36 HH TYR 36 -2.182 7.047 -6.972
275 HA PRO 37 HA PRO 37 -9.173 6.730 0.390
276 1HB PRO 37 HB2 PRO 37 -10.736 8.118 -1.587
277 2HB PRO 37 HB1 PRO 37 -9.765 8.812 -0.285
278 1HG PRO 37 HG2 PRO 37 -9.207 8.841 -3.098
279 2HG PRO 37 HG1 PRO 37 -8.230 9.518 -1.791
280 1HD PRO 37 HD2 PRO 37 -7.674 7.177 -3.388
281 2HD PRO 37 HD1 PRO 37 -6.689 7.864 -2.074
Start of MODEL 20
1 1H VAL 1 HT1 VAL 1 -4.344 8.514 2.451
2 2H VAL 1 HT2 VAL 1 -4.007 6.870 2.718
3 3H VAL 1 HT3 VAL 1 -3.753 7.554 1.185
4 HA VAL 1 HA VAL 1 -2.000 8.982 2.103
5 HB VAL 1 HB VAL 1 -1.395 8.626 4.456
6 1HG1 VAL 1 HG11 VAL 1 -4.356 8.877 4.648
7 2HG1 VAL 1 HG12 VAL 1 -3.528 10.022 3.592
8 3HG1 VAL 1 HG13 VAL 1 -3.095 9.924 5.298
9 1HG2 VAL 1 HG21 VAL 1 -2.350 6.152 4.232
10 2HG2 VAL 1 HG22 VAL 1 -3.811 6.904 4.870
11 3HG2 VAL 1 HG23 VAL 1 -2.311 6.966 5.794
12 H PHE 2 HN PHE 2 0.235 8.000 2.714
13 HA PHE 2 HA PHE 2 0.423 5.301 1.448
14 1HB PHE 2 HB2 PHE 2 2.468 7.492 1.936
15 2HB PHE 2 HB1 PHE 2 2.754 6.016 1.017
16 HD1 PHE 2 HD1 PHE 2 -0.436 6.379 0.153
17 HD2 PHE 2 HD2 PHE 2 3.227 8.579 -0.294
18 HE1 PHE 2 HE1 PHE 2 -1.339 7.465 -1.882
19 HE2 PHE 2 HE2 PHE 2 2.323 9.667 -2.329
20 HZ PHE 2 HZ PHE 2 0.040 9.112 -3.124
21 H ILE 3 HN ILE 3 2.173 3.869 2.372
22 HA ILE 3 HA ILE 3 2.310 4.164 5.355
23 HB ILE 3 HB ILE 3 2.729 1.505 4.106
24 1HG1 ILE 3 HG12 ILE 3 0.862 2.561 2.712
25 2HG1 ILE 3 HG11 ILE 3 0.424 1.083 3.565
26 1HG2 ILE 3 HG21 ILE 3 1.388 2.701 6.500
27 2HG2 ILE 3 HG22 ILE 3 2.582 1.406 6.413
28 3HG2 ILE 3 HG23 ILE 3 0.904 1.089 5.974
29 1HD1 ILE 3 HD11 ILE 3 -0.569 2.416 5.383
30 2HD1 ILE 3 HD12 ILE 3 -1.322 2.799 3.836
31 3HD1 ILE 3 HD13 ILE 3 -0.134 3.899 4.535
32 H ASN 4 HN ASN 4 4.325 3.403 6.337
33 HA ASN 4 HA ASN 4 6.652 3.618 4.465
34 1HB ASN 4 HB2 ASN 4 7.856 4.326 6.520
35 2HB ASN 4 HB1 ASN 4 6.438 5.332 6.227
36 1HD2 ASN 4 HD21 ASN 4 7.939 3.204 8.506
37 2HD2 ASN 4 HD22 ASN 4 6.655 3.141 9.615
38 H ALA 5 HN ALA 5 5.287 1.139 4.664
39 HA ALA 5 HA ALA 5 6.885 -0.548 6.515
40 1HB ALA 5 HB1 ALA 5 5.199 -2.190 6.031
41 2HB ALA 5 HB2 ALA 5 4.690 -1.331 4.577
42 3HB ALA 5 HB3 ALA 5 4.349 -0.651 6.168
43 H LYS 6 HN LYS 6 8.017 0.769 4.023
44 HA LYS 6 HA LYS 6 9.189 0.170 2.036
45 1HB LYS 6 HB2 LYS 6 10.889 -1.565 2.654
46 2HB LYS 6 HB1 LYS 6 10.715 -0.294 3.862
47 1HG LYS 6 HG2 LYS 6 9.378 -1.714 5.276
48 2HG LYS 6 HG1 LYS 6 9.251 -2.940 4.017
49 1HD LYS 6 HD2 LYS 6 12.025 -2.288 4.571
50 2HD LYS 6 HD1 LYS 6 11.189 -2.829 6.027
51 1HE LYS 6 HE2 LYS 6 11.090 -4.322 3.383
52 2HE LYS 6 HE1 LYS 6 12.191 -4.729 4.714
53 1HZ LYS 6 HZ1 LYS 6 10.216 -4.813 6.185
54 2HZ LYS 6 HZ2 LYS 6 10.202 -6.008 4.978
55 3HZ LYS 6 HZ3 LYS 6 9.223 -4.628 4.822
56 H CYS 7 HN CYS 7 7.024 -0.546 1.058
57 HA CYS 7 HA CYS 7 6.056 -3.176 1.001
58 1HB CYS 7 HB2 CYS 7 5.165 -2.517 -1.224
59 2HB CYS 7 HB1 CYS 7 4.986 -1.219 -0.045
60 H ARG 8 HN ARG 8 6.774 -5.074 0.112
61 HA ARG 8 HA ARG 8 9.418 -5.077 -1.240
62 1HB ARG 8 HB2 ARG 8 7.691 -6.927 0.315
63 2HB ARG 8 HB1 ARG 8 8.676 -7.678 -0.942
64 1HG ARG 8 HG2 ARG 8 10.041 -5.675 0.777
65 2HG ARG 8 HG1 ARG 8 9.607 -7.201 1.548
66 1HD ARG 8 HD2 ARG 8 10.891 -7.351 -1.151
67 2HD ARG 8 HD1 ARG 8 11.923 -6.947 0.237
68 HE ARG 8 HE ARG 8 10.674 -9.019 1.310
69 1HH1 ARG 8 HH21 ARG 8 12.335 -8.620 -1.641
70 2HH1 ARG 8 HH22 ARG 8 12.223 -10.286 -2.104
71 1HH2 ARG 8 HH11 ARG 8 10.213 -11.171 0.579
72 2HH2 ARG 8 HH12 ARG 8 11.023 -11.730 -0.846
73 H GLY 9 HN GLY 9 6.067 -5.288 -1.991
74 1HA GLY 9 HA2 GLY 9 6.663 -5.670 -4.828
75 2HA GLY 9 HA1 GLY 9 5.774 -7.013 -4.105
76 H SER 10 HN SER 10 4.740 -5.258 -6.149
77 HA SER 10 HA SER 10 3.078 -3.170 -5.179
78 1HB SER 10 HB2 SER 10 1.810 -4.542 -7.335
79 2HB SER 10 HB1 SER 10 2.788 -3.081 -7.409
80 HG SER 10 HG SER 10 4.530 -4.254 -7.896
81 HA PRO 11 HA PRO 11 -0.421 -6.528 -4.849
82 1HB PRO 11 HB2 PRO 11 0.887 -9.052 -4.388
83 2HB PRO 11 HB1 PRO 11 -0.162 -8.597 -5.734
84 1HG PRO 11 HG2 PRO 11 2.660 -9.028 -5.802
85 2HG PRO 11 HG1 PRO 11 1.619 -8.497 -7.125
86 1HD PRO 11 HD2 PRO 11 3.560 -6.948 -5.635
87 2HD PRO 11 HD1 PRO 11 2.582 -6.436 -7.032
88 H GLU 12 HN GLU 12 2.502 -6.245 -3.075
89 HA GLU 12 HA GLU 12 1.527 -7.484 -0.597
90 1HB GLU 12 HB2 GLU 12 3.883 -5.690 -1.272
91 2HB GLU 12 HB1 GLU 12 3.671 -6.530 0.265
92 1HG GLU 12 HG2 GLU 12 3.545 -8.107 -2.285
93 2HG GLU 12 HG1 GLU 12 5.119 -7.627 -1.651
94 H CYS 13 HN CYS 13 1.752 -4.229 -1.982
95 HA CYS 13 HA CYS 13 1.112 -2.779 0.416
96 1HB CYS 13 HB2 CYS 13 2.049 -2.095 -1.958
97 2HB CYS 13 HB1 CYS 13 0.343 -1.880 -2.347
98 H LEU 14 HN LEU 14 -0.820 -4.643 -1.803
99 HA LEU 14 HA LEU 14 -3.362 -3.408 -1.449
100 1HB LEU 14 HB2 LEU 14 -2.202 -5.906 -2.415
101 2HB LEU 14 HB1 LEU 14 -3.767 -6.170 -1.648
102 HG LEU 14 HG LEU 14 -4.076 -5.693 -4.034
103 1HD1 LEU 14 HD11 LEU 14 -5.888 -4.344 -3.682
104 2HD1 LEU 14 HD12 LEU 14 -4.936 -3.108 -2.861
105 3HD1 LEU 14 HD13 LEU 14 -5.450 -4.550 -1.987
106 1HD2 LEU 14 HD21 LEU 14 -3.259 -2.880 -3.879
107 2HD2 LEU 14 HD22 LEU 14 -2.921 -4.078 -5.129
108 3HD2 LEU 14 HD23 LEU 14 -1.907 -3.997 -3.687
109 HA PRO 15 HA PRO 15 -4.004 -6.482 2.280
110 1HB PRO 15 HB2 PRO 15 -1.370 -7.235 3.162
111 2HB PRO 15 HB1 PRO 15 -2.654 -8.288 2.561
112 1HG PRO 15 HG2 PRO 15 -0.214 -7.501 1.227
113 2HG PRO 15 HG1 PRO 15 -1.450 -8.637 0.675
114 1HD PRO 15 HD2 PRO 15 -0.918 -6.041 -0.378
115 2HD PRO 15 HD1 PRO 15 -2.274 -7.112 -0.799
116 H LYS 16 HN LYS 16 -0.979 -4.599 2.082
117 HA LYS 16 HA LYS 16 -1.046 -3.629 4.804
118 1HB LYS 16 HB2 LYS 16 0.298 -2.818 2.220
119 2HB LYS 16 HB1 LYS 16 0.554 -1.913 3.712
120 1HG LYS 16 HG2 LYS 16 1.024 -4.314 4.717
121 2HG LYS 16 HG1 LYS 16 1.366 -4.718 3.034
122 1HD LYS 16 HD2 LYS 16 2.775 -2.451 3.168
123 2HD LYS 16 HD1 LYS 16 2.830 -2.880 4.878
124 1HE LYS 16 HE2 LYS 16 4.757 -3.913 3.857
125 2HE LYS 16 HE1 LYS 16 3.582 -5.217 4.118
126 1HZ LYS 16 HZ1 LYS 16 3.993 -5.513 1.907
127 2HZ LYS 16 HZ2 LYS 16 4.346 -3.876 1.627
128 3HZ LYS 16 HZ3 LYS 16 2.734 -4.384 1.791
129 H CYS 17 HN CYS 17 -2.268 -2.378 1.701
130 HA CYS 17 HA CYS 17 -3.177 0.158 2.816
131 1HB CYS 17 HB2 CYS 17 -3.640 -1.396 0.258
132 2HB CYS 17 HB1 CYS 17 -4.396 0.170 0.550
133 H LYS 18 HN LYS 18 -4.623 -3.019 2.188
134 HA LYS 18 HA LYS 18 -7.361 -2.272 2.695
135 1HB LYS 18 HB2 LYS 18 -6.913 -4.295 1.528
136 2HB LYS 18 HB1 LYS 18 -5.742 -4.825 2.737
137 1HG LYS 18 HG2 LYS 18 -7.402 -5.416 4.278
138 2HG LYS 18 HG1 LYS 18 -8.609 -4.373 3.525
139 1HD LYS 18 HD2 LYS 18 -9.107 -5.903 1.872
140 2HD LYS 18 HD1 LYS 18 -7.482 -6.589 1.872
141 1HE LYS 18 HE2 LYS 18 -8.030 -7.530 4.197
142 2HE LYS 18 HE1 LYS 18 -9.719 -7.112 3.845
143 1HZ LYS 18 HZ1 LYS 18 -9.004 -8.246 1.551
144 2HZ LYS 18 HZ2 LYS 18 -9.703 -9.116 2.833
145 3HZ LYS 18 HZ3 LYS 18 -8.017 -9.126 2.614
146 H GLU 19 HN GLU 19 -4.701 -3.398 4.755
147 HA GLU 19 HA GLU 19 -6.424 -3.469 7.155
148 1HB GLU 19 HB2 GLU 19 -3.428 -3.818 6.802
149 2HB GLU 19 HB1 GLU 19 -4.385 -4.325 8.194
150 1HG GLU 19 HG2 GLU 19 -5.268 -5.339 5.540
151 2HG GLU 19 HG1 GLU 19 -3.763 -6.002 6.175
152 H ALA 20 HN ALA 20 -4.347 -1.236 5.510
153 HA ALA 20 HA ALA 20 -3.599 0.372 7.816
154 1HB ALA 20 HB1 ALA 20 -3.361 1.988 5.629
155 2HB ALA 20 HB2 ALA 20 -3.383 0.401 4.861
156 3HB ALA 20 HB3 ALA 20 -2.164 0.774 6.079
157 H ILE 21 HN ILE 21 -5.893 0.950 5.116
158 HA ILE 21 HA ILE 21 -7.310 2.925 6.864
159 HB ILE 21 HB ILE 21 -8.081 3.866 4.738
160 1HG1 ILE 21 HG12 ILE 21 -6.640 1.491 3.513
161 2HG1 ILE 21 HG11 ILE 21 -8.378 1.784 3.484
162 1HG2 ILE 21 HG21 ILE 21 -6.115 4.949 4.600
163 2HG2 ILE 21 HG22 ILE 21 -5.375 3.554 3.814
164 3HG2 ILE 21 HG23 ILE 21 -5.376 3.677 5.573
165 1HD1 ILE 21 HD11 ILE 21 -6.462 2.680 1.609
166 2HD1 ILE 21 HD12 ILE 21 -6.980 4.110 2.501
167 3HD1 ILE 21 HD13 ILE 21 -8.171 3.106 1.674
168 H GLY 22 HN GLY 22 -7.771 0.071 4.806
169 1HA GLY 22 HA2 GLY 22 -9.550 -1.486 5.803
170 2HA GLY 22 HA1 GLY 22 -10.599 -0.068 5.770
171 H LYS 23 HN LYS 23 -8.478 -0.119 3.114
172 HA LYS 23 HA LYS 23 -10.502 -1.517 1.408
173 1HB LYS 23 HB2 LYS 23 -10.439 1.148 1.639
174 2HB LYS 23 HB1 LYS 23 -9.157 0.970 0.439
175 1HG LYS 23 HG2 LYS 23 -10.614 -0.117 -1.104
176 2HG LYS 23 HG1 LYS 23 -11.852 -0.361 0.129
177 1HD LYS 23 HD2 LYS 23 -12.124 2.108 0.302
178 2HD LYS 23 HD1 LYS 23 -10.956 2.303 -1.007
179 1HE LYS 23 HE2 LYS 23 -12.414 1.453 -2.617
180 2HE LYS 23 HE1 LYS 23 -13.335 0.509 -1.429
181 1HZ LYS 23 HZ1 LYS 23 -13.235 3.478 -1.522
182 2HZ LYS 23 HZ2 LYS 23 -14.169 2.532 -0.464
183 3HZ LYS 23 HZ3 LYS 23 -14.512 2.543 -2.128
184 H ALA 24 HN ALA 24 -9.568 -2.825 -0.139
185 HA ALA 24 HA ALA 24 -6.634 -3.086 -0.170
186 1HB ALA 24 HB1 ALA 24 -8.147 -5.029 -0.091
187 2HB ALA 24 HB2 ALA 24 -7.200 -5.056 -1.579
188 3HB ALA 24 HB3 ALA 24 -8.881 -4.527 -1.614
189 H ALA 25 HN ALA 25 -6.386 -0.845 -1.175
190 HA ALA 25 HA ALA 25 -6.308 -1.111 -4.132
191 1HB ALA 25 HB1 ALA 25 -8.084 0.640 -2.516
192 2HB ALA 25 HB2 ALA 25 -8.329 -0.018 -4.133
193 3HB ALA 25 HB3 ALA 25 -7.311 1.403 -3.904
194 H GLY 26 HN GLY 26 -3.993 -1.031 -3.911
195 1HA GLY 26 HA2 GLY 26 -2.894 1.658 -3.704
196 2HA GLY 26 HA1 GLY 26 -2.429 0.629 -2.348
197 H LYS 27 HN LYS 27 -0.324 1.388 -3.716
198 HA LYS 27 HA LYS 27 0.451 -1.031 -5.281
199 1HB LYS 27 HB2 LYS 27 0.983 1.835 -6.123
200 2HB LYS 27 HB1 LYS 27 1.336 0.376 -7.051
201 1HG LYS 27 HG2 LYS 27 -1.147 -0.138 -6.997
202 2HG LYS 27 HG1 LYS 27 -1.391 1.475 -6.323
203 1HD LYS 27 HD2 LYS 27 -0.158 0.793 -9.008
204 2HD LYS 27 HD1 LYS 27 -1.692 1.617 -8.723
205 1HE LYS 27 HE2 LYS 27 -0.474 3.539 -8.917
206 2HE LYS 27 HE1 LYS 27 0.115 3.164 -7.286
207 1HZ LYS 27 HZ1 LYS 27 1.786 3.398 -9.273
208 2HZ LYS 27 HZ2 LYS 27 1.332 1.788 -9.574
209 3HZ LYS 27 HZ3 LYS 27 2.021 2.215 -8.080
210 H CYS 28 HN CYS 28 3.007 -0.562 -5.838
211 HA CYS 28 HA CYS 28 4.279 0.484 -3.333
212 1HB CYS 28 HB2 CYS 28 4.223 -1.884 -3.096
213 2HB CYS 28 HB1 CYS 28 4.625 -2.141 -4.794
214 H MET 29 HN MET 29 5.661 2.098 -3.917
215 HA MET 29 HA MET 29 7.396 1.732 -6.310
216 1HB MET 29 HB2 MET 29 6.769 4.049 -7.033
217 2HB MET 29 HB1 MET 29 5.404 2.932 -7.075
218 1HG MET 29 HG2 MET 29 4.275 4.127 -5.532
219 2HG MET 29 HG1 MET 29 5.673 4.173 -4.457
220 1HE MET 29 HE1 MET 29 4.786 4.964 -7.857
221 2HE MET 29 HE2 MET 29 5.618 6.461 -8.271
222 3HE MET 29 HE3 MET 29 3.987 6.523 -7.610
223 H ASN 30 HN ASN 30 9.413 2.794 -6.059
224 HA ASN 30 HA ASN 30 11.177 3.831 -4.868
225 1HB ASN 30 HB2 ASN 30 8.770 5.411 -4.679
226 2HB ASN 30 HB1 ASN 30 9.691 5.569 -3.182
227 1HD2 ASN 30 HD21 ASN 30 9.587 6.482 -6.533
228 2HD2 ASN 30 HD22 ASN 30 11.063 7.320 -6.566
229 H GLY 31 HN GLY 31 9.693 1.450 -3.729
230 1HA GLY 31 HA2 GLY 31 9.840 0.166 -1.768
231 2HA GLY 31 HA1 GLY 31 11.018 1.341 -1.180
232 H LYS 32 HN LYS 32 7.790 2.283 -2.181
233 HA LYS 32 HA LYS 32 7.102 2.759 0.700
234 1HB LYS 32 HB2 LYS 32 7.196 4.509 -1.700
235 2HB LYS 32 HB1 LYS 32 5.816 4.747 -0.627
236 1HG LYS 32 HG2 LYS 32 7.933 4.520 1.140
237 2HG LYS 32 HG1 LYS 32 8.641 5.415 -0.204
238 1HD LYS 32 HD2 LYS 32 7.716 7.112 1.140
239 2HD LYS 32 HD1 LYS 32 6.480 6.855 -0.091
240 1HE LYS 32 HE2 LYS 32 4.992 6.385 1.549
241 2HE LYS 32 HE1 LYS 32 5.984 4.990 2.020
242 1HZ LYS 32 HZ1 LYS 32 7.332 6.360 3.389
243 2HZ LYS 32 HZ2 LYS 32 5.720 6.715 3.790
244 3HZ LYS 32 HZ3 LYS 32 6.608 7.781 2.810
245 H CYS 33 HN CYS 33 4.760 2.801 1.117
246 HA CYS 33 HA CYS 33 3.254 1.036 -0.775
247 1HB CYS 33 HB2 CYS 33 3.839 0.825 1.894
248 2HB CYS 33 HB1 CYS 33 2.247 1.574 1.951
249 H LYS 34 HN LYS 34 1.751 2.126 -2.000
250 HA LYS 34 HA LYS 34 0.655 4.704 -0.952
251 1HB LYS 34 HB2 LYS 34 1.019 3.442 -3.671
252 2HB LYS 34 HB1 LYS 34 -0.032 4.840 -3.450
253 1HG LYS 34 HG2 LYS 34 2.019 5.884 -2.219
254 2HG LYS 34 HG1 LYS 34 2.945 4.640 -3.059
255 1HD LYS 34 HD2 LYS 34 1.114 6.663 -4.384
256 2HD LYS 34 HD1 LYS 34 2.877 6.734 -4.371
257 1HE LYS 34 HE2 LYS 34 2.973 5.335 -6.147
258 2HE LYS 34 HE1 LYS 34 2.014 4.122 -5.275
259 1HZ LYS 34 HZ1 LYS 34 0.684 6.536 -6.292
260 2HZ LYS 34 HZ2 LYS 34 0.046 4.982 -6.035
261 3HZ LYS 34 HZ3 LYS 34 1.037 5.284 -7.381
262 H CYS 35 HN CYS 35 -1.434 4.679 -0.220
263 HA CYS 35 HA CYS 35 -3.232 2.463 -1.155
264 1HB CYS 35 HB2 CYS 35 -3.257 3.986 1.471
265 2HB CYS 35 HB1 CYS 35 -4.211 2.558 1.074
266 H TYR 36 HN TYR 36 -5.299 3.078 -1.859
267 HA TYR 36 HA TYR 36 -5.782 6.024 -2.052
268 1HB TYR 36 HB2 TYR 36 -6.513 3.614 -3.713
269 2HB TYR 36 HB1 TYR 36 -7.331 5.160 -3.939
270 HD1 TYR 36 HD1 TYR 36 -6.194 7.060 -4.911
271 HD2 TYR 36 HD2 TYR 36 -4.081 3.404 -4.129
272 HE1 TYR 36 HE1 TYR 36 -4.285 7.874 -6.270
273 HE2 TYR 36 HE2 TYR 36 -2.173 4.215 -5.489
274 HH TYR 36 HH TYR 36 -1.751 5.828 -7.287
275 HA PRO 37 HA PRO 37 -9.067 5.243 0.910
276 1HB PRO 37 HB2 PRO 37 -10.199 7.803 0.248
277 2HB PRO 37 HB1 PRO 37 -9.252 7.370 1.674
278 1HG PRO 37 HG2 PRO 37 -8.443 9.006 -0.534
279 2HG PRO 37 HG1 PRO 37 -7.494 8.549 0.882
280 1HD PRO 37 HD2 PRO 37 -7.187 7.617 -1.836
281 2HD PRO 37 HD1 PRO 37 -6.217 7.174 -0.409
Start of MODEL 21
1 1H VAL 1 HT1 VAL 1 -3.215 9.861 3.081
2 2H VAL 1 HT2 VAL 1 -2.168 9.317 1.859
3 3H VAL 1 HT3 VAL 1 -1.618 9.435 3.463
4 HA VAL 1 HA VAL 1 -3.050 7.655 4.163
5 HB VAL 1 HB VAL 1 -4.545 6.643 2.445
6 1HG1 VAL 1 HG11 VAL 1 -5.118 8.735 3.910
7 2HG1 VAL 1 HG12 VAL 1 -6.195 8.304 2.582
8 3HG1 VAL 1 HG13 VAL 1 -5.029 9.613 2.383
9 1HG2 VAL 1 HG21 VAL 1 -3.952 8.981 0.654
10 2HG2 VAL 1 HG22 VAL 1 -4.637 7.409 0.241
11 3HG2 VAL 1 HG23 VAL 1 -2.914 7.557 0.582
12 H PHE 2 HN PHE 2 -0.358 8.059 3.173
13 HA PHE 2 HA PHE 2 0.157 5.523 1.662
14 1HB PHE 2 HB2 PHE 2 1.394 8.233 1.858
15 2HB PHE 2 HB1 PHE 2 2.484 6.876 1.573
16 HD1 PHE 2 HD1 PHE 2 -1.054 7.172 0.443
17 HD2 PHE 2 HD2 PHE 2 3.084 7.227 -0.704
18 HE1 PHE 2 HE1 PHE 2 -1.718 7.139 -1.944
19 HE2 PHE 2 HE2 PHE 2 2.420 7.195 -3.093
20 HZ PHE 2 HZ PHE 2 0.020 7.151 -3.712
21 H ILE 3 HN ILE 3 1.707 4.044 2.522
22 HA ILE 3 HA ILE 3 2.656 4.640 5.308
23 HB ILE 3 HB ILE 3 2.237 2.150 5.675
24 1HG1 ILE 3 HG12 ILE 3 0.259 2.137 3.487
25 2HG1 ILE 3 HG11 ILE 3 1.937 2.103 2.944
26 1HG2 ILE 3 HG21 ILE 3 -0.159 3.863 4.948
27 2HG2 ILE 3 HG22 ILE 3 0.705 3.930 6.484
28 3HG2 ILE 3 HG23 ILE 3 -0.170 2.469 6.028
29 1HD1 ILE 3 HD11 ILE 3 2.320 0.222 4.610
30 2HD1 ILE 3 HD12 ILE 3 1.272 -0.185 3.252
31 3HD1 ILE 3 HD13 ILE 3 0.571 0.169 4.830
32 H ASN 4 HN ASN 4 4.785 4.032 5.725
33 HA ASN 4 HA ASN 4 6.357 3.074 3.380
34 1HB ASN 4 HB2 ASN 4 8.251 3.977 4.739
35 2HB ASN 4 HB1 ASN 4 6.998 5.184 4.446
36 1HD2 ASN 4 HD21 ASN 4 8.775 5.401 6.683
37 2HD2 ASN 4 HD22 ASN 4 7.874 5.183 8.106
38 H ALA 5 HN ALA 5 5.273 0.847 4.051
39 HA ALA 5 HA ALA 5 6.525 -0.443 6.392
40 1HB ALA 5 HB1 ALA 5 4.280 -0.823 4.583
41 2HB ALA 5 HB2 ALA 5 4.533 -1.503 6.192
42 3HB ALA 5 HB3 ALA 5 5.191 -2.322 4.774
43 H LYS 6 HN LYS 6 7.819 0.428 3.586
44 HA LYS 6 HA LYS 6 9.535 -0.415 2.190
45 1HB LYS 6 HB2 LYS 6 10.034 -2.250 4.545
46 2HB LYS 6 HB1 LYS 6 11.221 -1.568 3.435
47 1HG LYS 6 HG2 LYS 6 11.389 0.339 4.634
48 2HG LYS 6 HG1 LYS 6 9.640 0.499 4.780
49 1HD LYS 6 HD2 LYS 6 10.014 -1.599 6.428
50 2HD LYS 6 HD1 LYS 6 11.583 -0.815 6.611
51 1HE LYS 6 HE2 LYS 6 10.503 1.290 7.251
52 2HE LYS 6 HE1 LYS 6 8.903 0.574 6.976
53 1HZ LYS 6 HZ1 LYS 6 10.773 0.127 9.150
54 2HZ LYS 6 HZ2 LYS 6 10.041 -1.275 8.529
55 3HZ LYS 6 HZ3 LYS 6 9.083 -0.007 9.131
56 H CYS 7 HN CYS 7 7.325 -1.502 1.244
57 HA CYS 7 HA CYS 7 7.075 -4.372 1.523
58 1HB CYS 7 HB2 CYS 7 5.467 -4.091 -0.276
59 2HB CYS 7 HB1 CYS 7 5.309 -2.724 0.825
60 H ARG 8 HN ARG 8 7.539 -5.940 -0.203
61 HA ARG 8 HA ARG 8 10.061 -5.280 -1.653
62 1HB ARG 8 HB2 ARG 8 8.644 -7.813 -0.793
63 2HB ARG 8 HB1 ARG 8 10.043 -7.843 -1.866
64 1HG ARG 8 HG2 ARG 8 10.736 -6.123 0.265
65 2HG ARG 8 HG1 ARG 8 9.973 -7.533 1.003
66 1HD ARG 8 HD2 ARG 8 11.645 -8.556 -1.036
67 2HD ARG 8 HD1 ARG 8 12.604 -7.333 -0.176
68 HE ARG 8 HE ARG 8 11.359 -9.730 1.069
69 1HH1 ARG 8 HH11 ARG 8 11.270 -7.235 2.803
70 2HH1 ARG 8 HH12 ARG 8 12.741 -7.395 3.703
71 1HH2 ARG 8 HH21 ARG 8 14.098 -9.765 1.565
72 2HH2 ARG 8 HH22 ARG 8 14.342 -8.831 3.003
73 H GLY 9 HN GLY 9 6.693 -5.847 -2.174
74 1HA GLY 9 HA2 GLY 9 7.170 -5.783 -5.109
75 2HA GLY 9 HA1 GLY 9 6.119 -7.037 -4.450
76 H SER 10 HN SER 10 5.419 -4.867 -6.296
77 HA SER 10 HA SER 10 4.072 -2.682 -5.166
78 1HB SER 10 HB2 SER 10 3.976 -2.543 -7.429
79 2HB SER 10 HB1 SER 10 4.038 -4.293 -7.619
80 HG SER 10 HG SER 10 2.032 -3.412 -8.294
81 HA PRO 11 HA PRO 11 0.104 -5.489 -4.878
82 1HB PRO 11 HB2 PRO 11 1.031 -8.173 -4.420
83 2HB PRO 11 HB1 PRO 11 0.056 -7.567 -5.763
84 1HG PRO 11 HG2 PRO 11 2.791 -8.399 -5.832
85 2HG PRO 11 HG1 PRO 11 1.832 -7.736 -7.158
86 1HD PRO 11 HD2 PRO 11 3.979 -6.470 -5.694
87 2HD PRO 11 HD1 PRO 11 3.061 -5.819 -7.073
88 H GLU 12 HN GLU 12 3.075 -6.137 -3.077
89 HA GLU 12 HA GLU 12 2.068 -7.181 -0.667
90 1HB GLU 12 HB2 GLU 12 4.439 -6.873 -1.162
91 2HB GLU 12 HB1 GLU 12 4.233 -5.122 -1.189
92 1HG GLU 12 HG2 GLU 12 4.969 -5.359 0.985
93 2HG GLU 12 HG1 GLU 12 3.241 -5.585 1.252
94 H CYS 13 HN CYS 13 1.842 -3.906 -1.942
95 HA CYS 13 HA CYS 13 1.036 -2.604 0.503
96 1HB CYS 13 HB2 CYS 13 1.890 -1.296 -1.291
97 2HB CYS 13 HB1 CYS 13 0.794 -2.037 -2.456
98 H LEU 14 HN LEU 14 -0.767 -4.253 -2.100
99 HA LEU 14 HA LEU 14 -3.375 -3.455 -1.628
100 1HB LEU 14 HB2 LEU 14 -1.959 -5.782 -2.645
101 2HB LEU 14 HB1 LEU 14 -3.473 -6.249 -1.878
102 HG LEU 14 HG LEU 14 -3.948 -5.774 -4.197
103 1HD1 LEU 14 HD11 LEU 14 -5.118 -4.376 -2.038
104 2HD1 LEU 14 HD12 LEU 14 -5.842 -4.710 -3.611
105 3HD1 LEU 14 HD13 LEU 14 -4.960 -3.205 -3.348
106 1HD2 LEU 14 HD21 LEU 14 -3.089 -3.985 -5.380
107 2HD2 LEU 14 HD22 LEU 14 -1.804 -4.173 -4.187
108 3HD2 LEU 14 HD23 LEU 14 -3.042 -2.937 -3.962
109 HA PRO 15 HA PRO 15 -3.788 -6.603 2.049
110 1HB PRO 15 HB2 PRO 15 -1.128 -7.177 2.975
111 2HB PRO 15 HB1 PRO 15 -2.307 -8.309 2.308
112 1HG PRO 15 HG2 PRO 15 0.103 -7.332 1.076
113 2HG PRO 15 HG1 PRO 15 -1.057 -8.498 0.432
114 1HD PRO 15 HD2 PRO 15 -0.631 -5.791 -0.433
115 2HD PRO 15 HD1 PRO 15 -1.843 -6.948 -1.031
116 H LYS 16 HN LYS 16 -0.726 -4.742 2.139
117 HA LYS 16 HA LYS 16 -0.893 -3.753 4.785
118 1HB LYS 16 HB2 LYS 16 0.237 -2.669 2.194
119 2HB LYS 16 HB1 LYS 16 0.503 -1.867 3.742
120 1HG LYS 16 HG2 LYS 16 1.175 -4.775 3.216
121 2HG LYS 16 HG1 LYS 16 2.343 -3.458 3.095
122 1HD LYS 16 HD2 LYS 16 2.671 -3.540 5.316
123 2HD LYS 16 HD1 LYS 16 0.963 -3.181 5.581
124 1HE LYS 16 HE2 LYS 16 0.620 -5.298 6.301
125 2HE LYS 16 HE1 LYS 16 1.229 -5.934 4.760
126 1HZ LYS 16 HZ1 LYS 16 2.852 -5.087 7.100
127 2HZ LYS 16 HZ2 LYS 16 3.503 -5.493 5.584
128 3HZ LYS 16 HZ3 LYS 16 2.684 -6.665 6.502
129 H CYS 17 HN CYS 17 -2.299 -2.461 1.773
130 HA CYS 17 HA CYS 17 -3.307 -0.012 2.829
131 1HB CYS 17 HB2 CYS 17 -3.095 -0.978 0.411
132 2HB CYS 17 HB1 CYS 17 -4.691 -1.660 0.719
133 H LYS 18 HN LYS 18 -4.923 -3.194 2.456
134 HA LYS 18 HA LYS 18 -7.401 -2.394 3.678
135 1HB LYS 18 HB2 LYS 18 -7.057 -4.365 2.210
136 2HB LYS 18 HB1 LYS 18 -6.051 -5.107 3.454
137 1HG LYS 18 HG2 LYS 18 -8.017 -4.953 5.026
138 2HG LYS 18 HG1 LYS 18 -8.996 -4.429 3.656
139 1HD LYS 18 HD2 LYS 18 -7.399 -6.861 3.160
140 2HD LYS 18 HD1 LYS 18 -8.657 -7.044 4.383
141 1HE LYS 18 HE2 LYS 18 -10.362 -6.768 2.859
142 2HE LYS 18 HE1 LYS 18 -9.433 -5.613 1.881
143 1HZ LYS 18 HZ1 LYS 18 -8.538 -8.410 2.111
144 2HZ LYS 18 HZ2 LYS 18 -8.230 -7.285 0.875
145 3HZ LYS 18 HZ3 LYS 18 -9.760 -8.012 1.005
146 H GLU 19 HN GLU 19 -4.291 -3.210 4.974
147 HA GLU 19 HA GLU 19 -5.359 -3.804 7.674
148 1HB GLU 19 HB2 GLU 19 -3.158 -4.581 6.145
149 2HB GLU 19 HB1 GLU 19 -2.469 -3.500 7.357
150 1HG GLU 19 HG2 GLU 19 -3.592 -4.793 9.142
151 2HG GLU 19 HG1 GLU 19 -4.253 -5.886 7.924
152 H ALA 20 HN ALA 20 -4.312 -1.094 5.853
153 HA ALA 20 HA ALA 20 -3.579 0.448 8.302
154 1HB ALA 20 HB1 ALA 20 -2.436 1.878 6.807
155 2HB ALA 20 HB2 ALA 20 -3.423 1.374 5.435
156 3HB ALA 20 HB3 ALA 20 -2.209 0.280 6.098
157 H ILE 21 HN ILE 21 -5.277 1.319 5.265
158 HA ILE 21 HA ILE 21 -7.034 3.146 6.763
159 HB ILE 21 HB ILE 21 -7.894 3.561 4.403
160 1HG1 ILE 21 HG12 ILE 21 -5.529 1.979 3.451
161 2HG1 ILE 21 HG11 ILE 21 -7.047 1.138 3.769
162 1HG2 ILE 21 HG21 ILE 21 -6.132 4.951 5.362
163 2HG2 ILE 21 HG22 ILE 21 -5.770 4.638 3.664
164 3HG2 ILE 21 HG23 ILE 21 -4.914 3.753 4.927
165 1HD1 ILE 21 HD11 ILE 21 -7.974 1.943 1.879
166 2HD1 ILE 21 HD12 ILE 21 -6.376 2.544 1.437
167 3HD1 ILE 21 HD13 ILE 21 -7.509 3.595 2.289
168 H GLY 22 HN GLY 22 -7.240 -0.033 5.239
169 1HA GLY 22 HA2 GLY 22 -8.948 -1.579 6.176
170 2HA GLY 22 HA1 GLY 22 -10.054 -0.207 6.237
171 H LYS 23 HN LYS 23 -8.052 -0.386 3.437
172 HA LYS 23 HA LYS 23 -10.093 -1.872 1.877
173 1HB LYS 23 HB2 LYS 23 -9.651 1.060 1.929
174 2HB LYS 23 HB1 LYS 23 -9.812 0.347 0.324
175 1HG LYS 23 HG2 LYS 23 -11.774 -0.672 2.260
176 2HG LYS 23 HG1 LYS 23 -11.921 1.058 1.952
177 1HD LYS 23 HD2 LYS 23 -12.680 0.728 -0.157
178 2HD LYS 23 HD1 LYS 23 -11.475 -0.518 -0.484
179 1HE LYS 23 HE2 LYS 23 -13.507 -1.383 1.456
180 2HE LYS 23 HE1 LYS 23 -14.178 -1.000 -0.142
181 1HZ LYS 23 HZ1 LYS 23 -11.650 -2.482 0.009
182 2HZ LYS 23 HZ2 LYS 23 -12.868 -2.543 -1.175
183 3HZ LYS 23 HZ3 LYS 23 -13.089 -3.324 0.317
184 H ALA 24 HN ALA 24 -8.946 -3.192 0.535
185 HA ALA 24 HA ALA 24 -6.099 -2.719 0.017
186 1HB ALA 24 HB1 ALA 24 -6.858 -4.852 -1.517
187 2HB ALA 24 HB2 ALA 24 -8.142 -4.836 -0.307
188 3HB ALA 24 HB3 ALA 24 -6.457 -4.970 0.196
189 H ALA 25 HN ALA 25 -6.370 -0.663 -1.228
190 HA ALA 25 HA ALA 25 -6.866 -1.239 -4.107
191 1HB ALA 25 HB1 ALA 25 -8.918 -0.287 -3.810
192 2HB ALA 25 HB2 ALA 25 -8.021 1.232 -3.784
193 3HB ALA 25 HB3 ALA 25 -8.456 0.437 -2.270
194 H GLY 26 HN GLY 26 -4.573 -0.960 -4.407
195 1HA GLY 26 HA2 GLY 26 -3.657 1.602 -5.082
196 2HA GLY 26 HA1 GLY 26 -3.143 1.336 -3.418
197 H LYS 27 HN LYS 27 -0.918 1.397 -4.279
198 HA LYS 27 HA LYS 27 -0.046 -1.311 -5.166
199 1HB LYS 27 HB2 LYS 27 0.190 1.291 -6.645
200 2HB LYS 27 HB1 LYS 27 1.479 0.101 -6.812
201 1HG LYS 27 HG2 LYS 27 0.131 -1.418 -7.907
202 2HG LYS 27 HG1 LYS 27 -1.334 -0.860 -7.101
203 1HD LYS 27 HD2 LYS 27 0.140 0.880 -9.078
204 2HD LYS 27 HD1 LYS 27 -1.085 -0.280 -9.597
205 1HE LYS 27 HE2 LYS 27 -2.684 1.237 -9.080
206 2HE LYS 27 HE1 LYS 27 -2.169 1.166 -7.383
207 1HZ LYS 27 HZ1 LYS 27 -0.758 2.752 -9.457
208 2HZ LYS 27 HZ2 LYS 27 -0.504 2.790 -7.777
209 3HZ LYS 27 HZ3 LYS 27 -1.943 3.406 -8.436
210 H CYS 28 HN CYS 28 2.659 -0.675 -5.571
211 HA CYS 28 HA CYS 28 3.478 0.737 -3.064
212 1HB CYS 28 HB2 CYS 28 3.272 -1.980 -3.258
213 2HB CYS 28 HB1 CYS 28 4.950 -1.734 -3.746
214 H MET 29 HN MET 29 5.102 2.144 -3.495
215 HA MET 29 HA MET 29 7.035 1.537 -5.686
216 1HB MET 29 HB2 MET 29 5.036 2.980 -6.401
217 2HB MET 29 HB1 MET 29 5.680 4.221 -5.326
218 1HG MET 29 HG2 MET 29 7.642 4.483 -6.600
219 2HG MET 29 HG1 MET 29 7.437 2.926 -7.404
220 1HE MET 29 HE1 MET 29 5.184 3.067 -9.995
221 2HE MET 29 HE2 MET 29 4.058 3.280 -8.657
222 3HE MET 29 HE3 MET 29 5.489 2.277 -8.442
223 H ASN 30 HN ASN 30 8.965 3.055 -5.514
224 HA ASN 30 HA ASN 30 10.730 3.878 -4.159
225 1HB ASN 30 HB2 ASN 30 8.189 5.253 -3.565
226 2HB ASN 30 HB1 ASN 30 9.404 5.423 -2.298
227 1HD2 ASN 30 HD21 ASN 30 8.378 7.373 -4.473
228 2HD2 ASN 30 HD22 ASN 30 9.800 7.942 -5.204
229 H GLY 31 HN GLY 31 9.142 1.368 -3.278
230 1HA GLY 31 HA2 GLY 31 9.431 -0.160 -1.506
231 2HA GLY 31 HA1 GLY 31 10.525 1.001 -0.749
232 H LYS 32 HN LYS 32 7.202 1.703 -1.723
233 HA LYS 32 HA LYS 32 6.305 1.614 1.111
234 1HB LYS 32 HB2 LYS 32 6.312 4.078 -0.663
235 2HB LYS 32 HB1 LYS 32 5.605 3.993 0.951
236 1HG LYS 32 HG2 LYS 32 7.852 3.351 1.849
237 2HG LYS 32 HG1 LYS 32 8.526 3.599 0.239
238 1HD LYS 32 HD2 LYS 32 8.026 5.928 0.276
239 2HD LYS 32 HD1 LYS 32 6.977 5.754 1.683
240 1HE LYS 32 HE2 LYS 32 8.913 6.536 2.721
241 2HE LYS 32 HE1 LYS 32 9.234 4.792 2.771
242 1HZ LYS 32 HZ1 LYS 32 10.697 4.906 1.058
243 2HZ LYS 32 HZ2 LYS 32 10.914 6.485 1.647
244 3HZ LYS 32 HZ3 LYS 32 9.907 6.206 0.308
245 H CYS 33 HN CYS 33 4.037 1.404 1.292
246 HA CYS 33 HA CYS 33 2.630 0.512 -1.129
247 1HB CYS 33 HB2 CYS 33 2.236 -0.799 0.772
248 2HB CYS 33 HB1 CYS 33 2.191 0.596 1.843
249 H LYS 34 HN LYS 34 0.998 1.641 -2.181
250 HA LYS 34 HA LYS 34 0.382 4.400 -1.175
251 1HB LYS 34 HB2 LYS 34 0.264 3.300 -3.999
252 2HB LYS 34 HB1 LYS 34 0.189 4.993 -3.516
253 1HG LYS 34 HG2 LYS 34 2.438 5.155 -3.387
254 2HG LYS 34 HG1 LYS 34 2.567 3.651 -2.475
255 1HD LYS 34 HD2 LYS 34 3.629 3.009 -4.427
256 2HD LYS 34 HD1 LYS 34 1.968 2.581 -4.840
257 1HE LYS 34 HE2 LYS 34 2.408 5.372 -5.444
258 2HE LYS 34 HE1 LYS 34 3.648 4.381 -6.237
259 1HZ LYS 34 HZ1 LYS 34 1.877 2.879 -6.985
260 2HZ LYS 34 HZ2 LYS 34 1.670 4.448 -7.602
261 3HZ LYS 34 HZ3 LYS 34 0.713 3.909 -6.306
262 H CYS 35 HN CYS 35 -1.839 5.060 -1.276
263 HA CYS 35 HA CYS 35 -3.829 2.990 -2.099
264 1HB CYS 35 HB2 CYS 35 -3.535 4.360 0.587
265 2HB CYS 35 HB1 CYS 35 -5.006 3.515 0.101
266 H TYR 36 HN TYR 36 -5.829 3.891 -2.772
267 HA TYR 36 HA TYR 36 -5.933 6.890 -2.880
268 1HB TYR 36 HB2 TYR 36 -6.763 4.776 -4.891
269 2HB TYR 36 HB1 TYR 36 -7.085 6.499 -5.082
270 HD1 TYR 36 HD1 TYR 36 -4.526 7.572 -3.871
271 HD2 TYR 36 HD2 TYR 36 -5.229 4.406 -6.690
272 HE1 TYR 36 HE1 TYR 36 -2.254 7.898 -4.802
273 HE2 TYR 36 HE2 TYR 36 -2.955 4.734 -7.621
274 HH TYR 36 HH TYR 36 -0.935 5.710 -7.238
275 HA PRO 37 HA PRO 37 -9.617 5.720 -0.461
276 1HB PRO 37 HB2 PRO 37 -10.050 8.540 -0.086
277 2HB PRO 37 HB1 PRO 37 -9.469 7.362 1.095
278 1HG PRO 37 HG2 PRO 37 -7.973 9.440 -0.197
279 2HG PRO 37 HG1 PRO 37 -7.394 8.255 0.976
280 1HD PRO 37 HD2 PRO 37 -6.828 8.367 -1.851
281 2HD PRO 37 HD1 PRO 37 -6.248 7.171 -0.668
Start of MODEL 22
1 1H VAL 1 HT1 VAL 1 0.004 10.634 2.199
2 2H VAL 1 HT2 VAL 1 -1.324 10.946 1.186
3 3H VAL 1 HT3 VAL 1 -0.182 9.766 0.754
4 HA VAL 1 HA VAL 1 -1.556 9.421 3.318
5 HB VAL 1 HB VAL 1 -3.318 10.180 1.804
6 1HG1 VAL 1 HG11 VAL 1 -2.305 9.870 -0.343
7 2HG1 VAL 1 HG12 VAL 1 -3.707 8.801 -0.307
8 3HG1 VAL 1 HG13 VAL 1 -2.089 8.142 -0.065
9 1HG2 VAL 1 HG21 VAL 1 -3.854 7.313 1.510
10 2HG2 VAL 1 HG22 VAL 1 -4.718 8.523 2.460
11 3HG2 VAL 1 HG23 VAL 1 -3.284 7.739 3.124
12 H PHE 2 HN PHE 2 0.973 8.504 2.471
13 HA PHE 2 HA PHE 2 0.429 5.644 1.736
14 1HB PHE 2 HB2 PHE 2 2.921 7.344 1.387
15 2HB PHE 2 HB1 PHE 2 2.710 5.691 0.810
16 HD1 PHE 2 HD1 PHE 2 -0.350 6.251 0.153
17 HD2 PHE 2 HD2 PHE 2 3.352 8.150 -0.914
18 HE1 PHE 2 HE1 PHE 2 -1.388 7.103 -1.929
19 HE2 PHE 2 HE2 PHE 2 2.312 9.004 -2.997
20 HZ PHE 2 HZ PHE 2 -0.059 8.481 -3.505
21 H ILE 3 HN ILE 3 1.947 4.076 2.764
22 HA ILE 3 HA ILE 3 2.683 4.944 5.537
23 HB ILE 3 HB ILE 3 2.541 2.378 5.880
24 1HG1 ILE 3 HG12 ILE 3 0.800 2.454 3.432
25 2HG1 ILE 3 HG11 ILE 3 2.528 2.147 3.257
26 1HG2 ILE 3 HG21 ILE 3 -0.136 2.664 5.516
27 2HG2 ILE 3 HG22 ILE 3 0.368 4.353 5.471
28 3HG2 ILE 3 HG23 ILE 3 0.736 3.359 6.880
29 1HD1 ILE 3 HD11 ILE 3 0.493 0.308 4.038
30 2HD1 ILE 3 HD12 ILE 3 1.550 0.555 5.428
31 3HD1 ILE 3 HD13 ILE 3 2.226 0.011 3.893
32 H ASN 4 HN ASN 4 4.729 4.159 6.376
33 HA ASN 4 HA ASN 4 6.751 3.707 4.236
34 1HB ASN 4 HB2 ASN 4 8.305 4.399 6.072
35 2HB ASN 4 HB1 ASN 4 7.043 5.594 5.764
36 1HD2 ASN 4 HD21 ASN 4 8.428 5.315 8.318
37 2HD2 ASN 4 HD22 ASN 4 7.268 4.858 9.470
38 H ALA 5 HN ALA 5 5.393 1.384 4.562
39 HA ALA 5 HA ALA 5 6.758 -0.269 6.618
40 1HB ALA 5 HB1 ALA 5 4.885 -1.558 6.426
41 2HB ALA 5 HB2 ALA 5 4.940 -1.524 4.664
42 3HB ALA 5 HB3 ALA 5 4.217 -0.181 5.548
43 H LYS 6 HN LYS 6 7.854 0.897 3.881
44 HA LYS 6 HA LYS 6 9.268 0.130 2.142
45 1HB LYS 6 HB2 LYS 6 9.819 -1.374 4.659
46 2HB LYS 6 HB1 LYS 6 10.615 -1.948 3.193
47 1HG LYS 6 HG2 LYS 6 10.693 0.919 4.179
48 2HG LYS 6 HG1 LYS 6 11.981 -0.261 4.428
49 1HD LYS 6 HD2 LYS 6 11.557 -0.487 1.731
50 2HD LYS 6 HD1 LYS 6 11.244 1.229 1.991
51 1HE LYS 6 HE2 LYS 6 13.670 0.709 1.501
52 2HE LYS 6 HE1 LYS 6 13.428 1.505 3.069
53 1HZ LYS 6 HZ1 LYS 6 13.889 -0.373 4.202
54 2HZ LYS 6 HZ2 LYS 6 14.726 -0.809 2.791
55 3HZ LYS 6 HZ3 LYS 6 13.151 -1.385 3.059
56 H CYS 7 HN CYS 7 7.462 -0.621 0.768
57 HA CYS 7 HA CYS 7 6.411 -3.308 0.950
58 1HB CYS 7 HB2 CYS 7 5.586 -2.726 -1.357
59 2HB CYS 7 HB1 CYS 7 5.227 -1.486 -0.156
60 H ARG 8 HN ARG 8 6.703 -4.437 -1.545
61 HA ARG 8 HA ARG 8 9.649 -4.664 -2.008
62 1HB ARG 8 HB2 ARG 8 7.655 -6.786 -1.215
63 2HB ARG 8 HB1 ARG 8 9.142 -7.211 -2.062
64 1HG ARG 8 HG2 ARG 8 9.442 -5.384 0.261
65 2HG ARG 8 HG1 ARG 8 8.985 -7.047 0.634
66 1HD ARG 8 HD2 ARG 8 11.010 -7.891 -0.041
67 2HD ARG 8 HD1 ARG 8 11.171 -6.717 -1.361
68 HE ARG 8 HE ARG 8 12.096 -5.144 0.184
69 1HH1 ARG 8 HH11 ARG 8 13.030 -7.919 1.323
70 2HH1 ARG 8 HH12 ARG 8 12.821 -7.616 3.017
71 1HH2 ARG 8 HH21 ARG 8 10.900 -4.768 2.540
72 2HH2 ARG 8 HH22 ARG 8 11.615 -5.833 3.706
73 H GLY 9 HN GLY 9 6.346 -5.335 -3.148
74 1HA GLY 9 HA2 GLY 9 7.399 -5.185 -5.931
75 2HA GLY 9 HA1 GLY 9 6.353 -6.531 -5.484
76 H SER 10 HN SER 10 4.229 -5.701 -4.319
77 HA SER 10 HA SER 10 3.139 -3.140 -4.767
78 1HB SER 10 HB2 SER 10 3.647 -4.637 -7.158
79 2HB SER 10 HB1 SER 10 1.905 -4.459 -6.977
80 HG SER 10 HG SER 10 3.620 -2.665 -7.822
81 HA PRO 11 HA PRO 11 -0.544 -6.331 -4.700
82 1HB PRO 11 HB2 PRO 11 0.634 -8.918 -4.242
83 2HB PRO 11 HB1 PRO 11 -0.344 -8.390 -5.614
84 1HG PRO 11 HG2 PRO 11 2.490 -8.896 -5.545
85 2HG PRO 11 HG1 PRO 11 1.499 -8.421 -6.927
86 1HD PRO 11 HD2 PRO 11 3.428 -6.825 -5.546
87 2HD PRO 11 HD1 PRO 11 2.348 -6.310 -6.863
88 H GLU 12 HN GLU 12 2.426 -6.724 -2.840
89 HA GLU 12 HA GLU 12 1.334 -7.814 -0.439
90 1HB GLU 12 HB2 GLU 12 3.718 -6.216 -1.277
91 2HB GLU 12 HB1 GLU 12 3.386 -6.337 0.452
92 1HG GLU 12 HG2 GLU 12 3.971 -8.527 0.530
93 2HG GLU 12 HG1 GLU 12 3.139 -8.893 -0.982
94 H CYS 13 HN CYS 13 1.147 -4.618 -1.829
95 HA CYS 13 HA CYS 13 0.537 -3.154 0.585
96 1HB CYS 13 HB2 CYS 13 1.124 -2.572 -2.015
97 2HB CYS 13 HB1 CYS 13 -0.618 -2.299 -2.011
98 H LEU 14 HN LEU 14 -1.388 -5.045 -1.697
99 HA LEU 14 HA LEU 14 -3.983 -4.146 -1.087
100 1HB LEU 14 HB2 LEU 14 -2.659 -6.439 -2.266
101 2HB LEU 14 HB1 LEU 14 -4.084 -6.949 -1.361
102 HG LEU 14 HG LEU 14 -4.541 -6.341 -3.773
103 1HD1 LEU 14 HD11 LEU 14 -6.261 -4.396 -2.740
104 2HD1 LEU 14 HD12 LEU 14 -5.903 -5.436 -1.361
105 3HD1 LEU 14 HD13 LEU 14 -6.582 -6.128 -2.834
106 1HD2 LEU 14 HD21 LEU 14 -3.028 -4.050 -3.008
107 2HD2 LEU 14 HD22 LEU 14 -4.665 -3.501 -3.366
108 3HD2 LEU 14 HD23 LEU 14 -3.749 -4.393 -4.581
109 HA PRO 15 HA PRO 15 -4.163 -7.392 2.529
110 1HB PRO 15 HB2 PRO 15 -1.444 -7.958 3.278
111 2HB PRO 15 HB1 PRO 15 -2.658 -9.087 2.669
112 1HG PRO 15 HG2 PRO 15 -0.341 -8.059 1.300
113 2HG PRO 15 HG1 PRO 15 -1.524 -9.235 0.718
114 1HD PRO 15 HD2 PRO 15 -1.195 -6.526 -0.160
115 2HD PRO 15 HD1 PRO 15 -2.452 -7.682 -0.658
116 H LYS 16 HN LYS 16 -1.071 -5.569 2.587
117 HA LYS 16 HA LYS 16 -1.263 -4.627 5.268
118 1HB LYS 16 HB2 LYS 16 0.178 -3.946 2.751
119 2HB LYS 16 HB1 LYS 16 0.178 -2.716 4.016
120 1HG LYS 16 HG2 LYS 16 1.500 -3.956 5.402
121 2HG LYS 16 HG1 LYS 16 0.722 -5.472 4.946
122 1HD LYS 16 HD2 LYS 16 1.918 -5.157 2.666
123 2HD LYS 16 HD1 LYS 16 2.930 -3.994 3.524
124 1HE LYS 16 HE2 LYS 16 3.826 -5.640 4.955
125 2HE LYS 16 HE1 LYS 16 2.491 -6.767 4.642
126 1HZ LYS 16 HZ1 LYS 16 3.209 -6.774 2.275
127 2HZ LYS 16 HZ2 LYS 16 4.343 -7.467 3.335
128 3HZ LYS 16 HZ3 LYS 16 4.590 -5.900 2.729
129 H CYS 17 HN CYS 17 -2.277 -3.068 2.202
130 HA CYS 17 HA CYS 17 -3.283 -0.658 3.369
131 1HB CYS 17 HB2 CYS 17 -2.779 -1.326 0.921
132 2HB CYS 17 HB1 CYS 17 -4.391 -2.044 0.922
133 H LYS 18 HN LYS 18 -4.916 -3.737 2.563
134 HA LYS 18 HA LYS 18 -7.560 -3.006 3.298
135 1HB LYS 18 HB2 LYS 18 -6.662 -5.081 2.110
136 2HB LYS 18 HB1 LYS 18 -6.228 -5.698 3.704
137 1HG LYS 18 HG2 LYS 18 -8.766 -5.026 4.227
138 2HG LYS 18 HG1 LYS 18 -8.925 -5.307 2.492
139 1HD LYS 18 HD2 LYS 18 -7.751 -7.267 4.486
140 2HD LYS 18 HD1 LYS 18 -9.357 -7.378 3.769
141 1HE LYS 18 HE2 LYS 18 -8.422 -7.669 1.549
142 2HE LYS 18 HE1 LYS 18 -6.784 -7.350 2.153
143 1HZ LYS 18 HZ1 LYS 18 -7.275 -9.224 3.792
144 2HZ LYS 18 HZ2 LYS 18 -6.950 -9.665 2.183
145 3HZ LYS 18 HZ3 LYS 18 -8.549 -9.645 2.754
146 H GLU 19 HN GLU 19 -4.777 -3.885 5.266
147 HA GLU 19 HA GLU 19 -6.487 -3.892 7.718
148 1HB GLU 19 HB2 GLU 19 -4.759 -5.724 6.952
149 2HB GLU 19 HB1 GLU 19 -3.566 -4.595 7.595
150 1HG GLU 19 HG2 GLU 19 -5.028 -4.527 9.714
151 2HG GLU 19 HG1 GLU 19 -5.823 -5.962 9.062
152 H ALA 20 HN ALA 20 -4.751 -1.724 5.922
153 HA ALA 20 HA ALA 20 -3.720 -0.255 8.323
154 1HB ALA 20 HB1 ALA 20 -2.418 0.957 6.456
155 2HB ALA 20 HB2 ALA 20 -3.007 -0.315 5.384
156 3HB ALA 20 HB3 ALA 20 -1.983 -0.725 6.760
157 H ILE 21 HN ILE 21 -4.994 0.565 5.071
158 HA ILE 21 HA ILE 21 -6.208 3.031 6.164
159 HB ILE 21 HB ILE 21 -4.880 2.764 3.985
160 1HG1 ILE 21 HG12 ILE 21 -7.670 3.949 3.988
161 2HG1 ILE 21 HG11 ILE 21 -6.157 4.779 4.356
162 1HG2 ILE 21 HG21 ILE 21 -7.508 1.526 3.113
163 2HG2 ILE 21 HG22 ILE 21 -5.972 0.672 3.255
164 3HG2 ILE 21 HG23 ILE 21 -6.166 1.944 2.048
165 1HD1 ILE 21 HD11 ILE 21 -7.022 5.210 2.026
166 2HD1 ILE 21 HD12 ILE 21 -6.759 3.502 1.676
167 3HD1 ILE 21 HD13 ILE 21 -5.391 4.539 2.076
168 H GLY 22 HN GLY 22 -7.215 -0.036 4.655
169 1HA GLY 22 HA2 GLY 22 -9.302 -1.101 5.439
170 2HA GLY 22 HA1 GLY 22 -9.989 0.516 5.621
171 H LYS 23 HN LYS 23 -8.002 -0.262 2.875
172 HA LYS 23 HA LYS 23 -10.374 -0.685 1.133
173 1HB LYS 23 HB2 LYS 23 -8.897 1.784 1.514
174 2HB LYS 23 HB1 LYS 23 -8.768 1.241 -0.160
175 1HG LYS 23 HG2 LYS 23 -11.476 0.898 0.821
176 2HG LYS 23 HG1 LYS 23 -10.949 2.572 1.007
177 1HD LYS 23 HD2 LYS 23 -11.681 2.667 -1.177
178 2HD LYS 23 HD1 LYS 23 -10.017 2.152 -1.463
179 1HE LYS 23 HE2 LYS 23 -10.653 0.060 -2.147
180 2HE LYS 23 HE1 LYS 23 -11.951 -0.042 -0.941
181 1HZ LYS 23 HZ1 LYS 23 -12.358 0.461 -3.553
182 2HZ LYS 23 HZ2 LYS 23 -12.299 2.036 -2.920
183 3HZ LYS 23 HZ3 LYS 23 -13.423 0.917 -2.314
184 H ALA 24 HN ALA 24 -9.837 -2.258 -0.326
185 HA ALA 24 HA ALA 24 -7.119 -3.277 -0.510
186 1HB ALA 24 HB1 ALA 24 -9.622 -4.284 -0.799
187 2HB ALA 24 HB2 ALA 24 -8.188 -5.068 -1.462
188 3HB ALA 24 HB3 ALA 24 -9.190 -4.048 -2.493
189 H ALA 25 HN ALA 25 -6.929 -0.628 -1.325
190 HA ALA 25 HA ALA 25 -6.362 -0.944 -4.245
191 1HB ALA 25 HB1 ALA 25 -8.357 0.290 -4.288
192 2HB ALA 25 HB2 ALA 25 -7.144 1.572 -4.266
193 3HB ALA 25 HB3 ALA 25 -7.982 1.125 -2.780
194 H GLY 26 HN GLY 26 -4.136 -0.789 -4.272
195 1HA GLY 26 HA2 GLY 26 -2.797 1.638 -3.631
196 2HA GLY 26 HA1 GLY 26 -2.563 0.512 -2.292
197 H LYS 27 HN LYS 27 -0.301 1.215 -3.563
198 HA LYS 27 HA LYS 27 0.480 -1.302 -4.934
199 1HB LYS 27 HB2 LYS 27 0.754 1.495 -6.083
200 2HB LYS 27 HB1 LYS 27 1.490 0.053 -6.783
201 1HG LYS 27 HG2 LYS 27 -0.882 -0.942 -6.801
202 2HG LYS 27 HG1 LYS 27 -1.446 0.705 -6.518
203 1HD LYS 27 HD2 LYS 27 0.138 -0.328 -8.879
204 2HD LYS 27 HD1 LYS 27 -1.467 0.403 -8.891
205 1HE LYS 27 HE2 LYS 27 1.069 1.857 -8.052
206 2HE LYS 27 HE1 LYS 27 0.289 2.016 -9.637
207 1HZ LYS 27 HZ1 LYS 27 -1.130 3.452 -8.743
208 2HZ LYS 27 HZ2 LYS 27 -0.427 3.258 -7.210
209 3HZ LYS 27 HZ3 LYS 27 -1.701 2.246 -7.697
210 H CYS 28 HN CYS 28 3.030 -0.786 -5.597
211 HA CYS 28 HA CYS 28 4.282 0.333 -3.107
212 1HB CYS 28 HB2 CYS 28 4.514 -2.026 -3.032
213 2HB CYS 28 HB1 CYS 28 4.809 -2.137 -4.766
214 H MET 29 HN MET 29 5.534 2.092 -3.578
215 HA MET 29 HA MET 29 7.136 2.106 -6.086
216 1HB MET 29 HB2 MET 29 4.753 3.213 -6.208
217 2HB MET 29 HB1 MET 29 5.519 4.520 -5.304
218 1HG MET 29 HG2 MET 29 7.142 3.593 -7.563
219 2HG MET 29 HG1 MET 29 5.574 4.234 -8.058
220 1HE MET 29 HE1 MET 29 5.007 6.126 -8.429
221 2HE MET 29 HE2 MET 29 5.853 7.660 -8.249
222 3HE MET 29 HE3 MET 29 4.825 7.072 -6.945
223 H ASN 30 HN ASN 30 9.131 3.070 -5.741
224 HA ASN 30 HA ASN 30 10.867 4.218 -4.616
225 1HB ASN 30 HB2 ASN 30 8.597 5.771 -4.518
226 2HB ASN 30 HB1 ASN 30 9.013 5.631 -2.810
227 1HD2 ASN 30 HD21 ASN 30 10.278 6.701 -5.971
228 2HD2 ASN 30 HD22 ASN 30 11.505 7.685 -5.332
229 H GLY 31 HN GLY 31 9.064 1.876 -3.336
230 1HA GLY 31 HA2 GLY 31 9.711 0.439 -1.537
231 2HA GLY 31 HA1 GLY 31 10.717 1.738 -0.894
232 H LYS 32 HN LYS 32 7.472 2.494 -1.845
233 HA LYS 32 HA LYS 32 6.664 2.567 1.046
234 1HB LYS 32 HB2 LYS 32 6.030 4.512 -1.201
235 2HB LYS 32 HB1 LYS 32 5.531 4.682 0.482
236 1HG LYS 32 HG2 LYS 32 8.202 4.344 0.814
237 2HG LYS 32 HG1 LYS 32 8.186 5.141 -0.759
238 1HD LYS 32 HD2 LYS 32 6.988 7.025 0.106
239 2HD LYS 32 HD1 LYS 32 6.638 6.191 1.619
240 1HE LYS 32 HE2 LYS 32 9.273 6.044 1.807
241 2HE LYS 32 HE1 LYS 32 9.214 7.432 0.701
242 1HZ LYS 32 HZ1 LYS 32 8.246 7.207 3.443
243 2HZ LYS 32 HZ2 LYS 32 7.270 8.089 2.368
244 3HZ LYS 32 HZ3 LYS 32 8.886 8.551 2.629
245 H CYS 33 HN CYS 33 4.276 2.462 1.341
246 HA CYS 33 HA CYS 33 2.989 0.773 -0.779
247 1HB CYS 33 HB2 CYS 33 3.443 0.383 1.923
248 2HB CYS 33 HB1 CYS 33 1.783 0.969 1.902
249 H LYS 34 HN LYS 34 1.799 2.219 -2.057
250 HA LYS 34 HA LYS 34 0.493 4.556 -0.816
251 1HB LYS 34 HB2 LYS 34 0.645 3.487 -3.651
252 2HB LYS 34 HB1 LYS 34 -0.040 5.050 -3.204
253 1HG LYS 34 HG2 LYS 34 2.024 5.954 -2.653
254 2HG LYS 34 HG1 LYS 34 2.727 4.382 -2.271
255 1HD LYS 34 HD2 LYS 34 3.738 4.678 -4.305
256 2HD LYS 34 HD1 LYS 34 2.219 4.006 -4.894
257 1HE LYS 34 HE2 LYS 34 2.258 6.951 -4.423
258 2HE LYS 34 HE1 LYS 34 3.188 6.353 -5.810
259 1HZ LYS 34 HZ1 LYS 34 1.208 6.279 -6.832
260 2HZ LYS 34 HZ2 LYS 34 0.331 6.351 -5.379
261 3HZ LYS 34 HZ3 LYS 34 0.943 4.867 -5.931
262 H CYS 35 HN CYS 35 -1.787 4.930 -0.922
263 HA CYS 35 HA CYS 35 -3.526 2.624 -1.664
264 1HB CYS 35 HB2 CYS 35 -3.161 3.922 1.034
265 2HB CYS 35 HB1 CYS 35 -4.686 3.140 0.621
266 H TYR 36 HN TYR 36 -5.443 3.347 -2.586
267 HA TYR 36 HA TYR 36 -5.830 6.291 -2.784
268 1HB TYR 36 HB2 TYR 36 -6.515 3.836 -4.322
269 2HB TYR 36 HB1 TYR 36 -7.650 5.180 -4.446
270 HD1 TYR 36 HD1 TYR 36 -7.200 5.876 -6.695
271 HD2 TYR 36 HD2 TYR 36 -3.996 5.484 -3.863
272 HE1 TYR 36 HE1 TYR 36 -5.668 7.027 -8.270
273 HE2 TYR 36 HE2 TYR 36 -2.463 6.634 -5.437
274 HH TYR 36 HH TYR 36 -2.856 8.383 -7.435
275 HA PRO 37 HA PRO 37 -9.257 6.450 -0.025
276 1HB PRO 37 HB2 PRO 37 -10.836 8.094 -1.780
277 2HB PRO 37 HB1 PRO 37 -9.874 8.601 -0.387
278 1HG PRO 37 HG2 PRO 37 -9.313 9.040 -3.169
279 2HG PRO 37 HG1 PRO 37 -8.358 9.549 -1.774
280 1HD PRO 37 HD2 PRO 37 -7.731 7.480 -3.678
281 2HD PRO 37 HD1 PRO 37 -6.783 7.974 -2.255
Start of MODEL 23
1 1H VAL 1 HT1 VAL 1 -4.526 6.691 2.439
2 2H VAL 1 HT2 VAL 1 -3.391 5.455 2.704
3 3H VAL 1 HT3 VAL 1 -3.839 5.876 1.120
4 HA VAL 1 HA VAL 1 -2.738 7.966 1.253
5 HB VAL 1 HB VAL 1 -1.634 8.419 3.575
6 1HG1 VAL 1 HG11 VAL 1 -4.657 8.495 3.389
7 2HG1 VAL 1 HG12 VAL 1 -3.596 9.627 2.551
8 3HG1 VAL 1 HG13 VAL 1 -3.618 9.580 4.314
9 1HG2 VAL 1 HG21 VAL 1 -3.858 6.534 4.415
10 2HG2 VAL 1 HG22 VAL 1 -2.709 7.363 5.466
11 3HG2 VAL 1 HG23 VAL 1 -2.155 6.080 4.392
12 H PHE 2 HN PHE 2 -0.194 8.142 2.400
13 HA PHE 2 HA PHE 2 1.123 5.715 1.250
14 1HB PHE 2 HB2 PHE 2 2.061 8.556 1.758
15 2HB PHE 2 HB1 PHE 2 3.051 7.295 1.028
16 HD1 PHE 2 HD1 PHE 2 2.578 9.787 -0.440
17 HD2 PHE 2 HD2 PHE 2 0.180 6.226 -0.243
18 HE1 PHE 2 HE1 PHE 2 1.610 10.312 -2.659
19 HE2 PHE 2 HE2 PHE 2 -0.785 6.753 -2.461
20 HZ PHE 2 HZ PHE 2 -0.071 8.797 -3.672
21 H ILE 3 HN ILE 3 2.565 4.531 2.493
22 HA ILE 3 HA ILE 3 3.170 5.519 5.259
23 HB ILE 3 HB ILE 3 2.753 3.056 5.906
24 1HG1 ILE 3 HG12 ILE 3 1.430 3.158 3.177
25 2HG1 ILE 3 HG11 ILE 3 2.766 2.111 3.655
26 1HG2 ILE 3 HG21 ILE 3 0.100 3.828 5.141
27 2HG2 ILE 3 HG22 ILE 3 0.998 5.279 5.588
28 3HG2 ILE 3 HG23 ILE 3 0.857 3.943 6.730
29 1HD1 ILE 3 HD11 ILE 3 -0.115 1.823 4.172
30 2HD1 ILE 3 HD12 ILE 3 0.893 1.573 5.599
31 3HD1 ILE 3 HD13 ILE 3 1.152 0.597 4.154
32 H ASN 4 HN ASN 4 5.288 5.078 5.898
33 HA ASN 4 HA ASN 4 7.140 4.044 3.881
34 1HB ASN 4 HB2 ASN 4 8.808 4.717 5.531
35 2HB ASN 4 HB1 ASN 4 7.563 5.963 5.445
36 1HD2 ASN 4 HD21 ASN 4 9.379 4.357 7.676
37 2HD2 ASN 4 HD22 ASN 4 8.303 4.356 8.989
38 H ALA 5 HN ALA 5 6.031 1.835 3.870
39 HA ALA 5 HA ALA 5 6.863 0.133 6.189
40 1HB ALA 5 HB1 ALA 5 5.046 -1.267 5.561
41 2HB ALA 5 HB2 ALA 5 4.974 -0.578 3.939
42 3HB ALA 5 HB3 ALA 5 4.436 0.371 5.326
43 H LYS 6 HN LYS 6 8.344 1.098 3.557
44 HA LYS 6 HA LYS 6 9.793 0.116 1.952
45 1HB LYS 6 HB2 LYS 6 10.727 -0.325 4.279
46 2HB LYS 6 HB1 LYS 6 10.028 -1.940 4.164
47 1HG LYS 6 HG2 LYS 6 12.326 -2.096 3.444
48 2HG LYS 6 HG1 LYS 6 11.311 -2.248 2.010
49 1HD LYS 6 HD2 LYS 6 11.760 -0.018 1.324
50 2HD LYS 6 HD1 LYS 6 12.420 0.418 2.901
51 1HE LYS 6 HE2 LYS 6 14.339 0.104 1.517
52 2HE LYS 6 HE1 LYS 6 14.208 -1.413 2.427
53 1HZ LYS 6 HZ1 LYS 6 13.143 -2.470 0.646
54 2HZ LYS 6 HZ2 LYS 6 14.420 -1.615 -0.080
55 3HZ LYS 6 HZ3 LYS 6 12.834 -1.012 -0.164
56 H CYS 7 HN CYS 7 7.078 -0.621 1.485
57 HA CYS 7 HA CYS 7 6.368 -3.303 1.368
58 1HB CYS 7 HB2 CYS 7 5.106 -2.647 -0.669
59 2HB CYS 7 HB1 CYS 7 4.999 -1.411 0.584
60 H ARG 8 HN ARG 8 6.684 -4.983 -0.243
61 HA ARG 8 HA ARG 8 9.358 -4.827 -1.556
62 1HB ARG 8 HB2 ARG 8 7.579 -6.927 -0.403
63 2HB ARG 8 HB1 ARG 8 8.626 -7.410 -1.736
64 1HG ARG 8 HG2 ARG 8 9.723 -5.854 0.601
65 2HG ARG 8 HG1 ARG 8 9.564 -7.609 0.678
66 1HD ARG 8 HD2 ARG 8 10.773 -7.418 -1.724
67 2HD ARG 8 HD1 ARG 8 11.427 -5.956 -0.959
68 HE ARG 8 HE ARG 8 11.553 -8.630 0.384
69 1HH1 ARG 8 HH11 ARG 8 13.401 -6.480 -1.382
70 2HH1 ARG 8 HH12 ARG 8 14.672 -6.326 -0.215
71 1HH2 ARG 8 HH21 ARG 8 12.967 -8.060 2.260
72 2HH2 ARG 8 HH22 ARG 8 14.426 -7.222 1.848
73 H GLY 9 HN GLY 9 5.923 -5.337 -2.241
74 1HA GLY 9 HA2 GLY 9 6.468 -4.868 -5.097
75 2HA GLY 9 HA1 GLY 9 5.773 -6.442 -4.709
76 H SER 10 HN SER 10 4.227 -5.033 -6.302
77 HA SER 10 HA SER 10 2.447 -3.135 -5.067
78 1HB SER 10 HB2 SER 10 1.458 -4.774 -7.313
79 2HB SER 10 HB1 SER 10 1.633 -3.026 -7.190
80 HG SER 10 HG SER 10 3.114 -3.844 -8.680
81 HA PRO 11 HA PRO 11 -0.536 -6.976 -4.795
82 1HB PRO 11 HB2 PRO 11 1.152 -9.273 -4.385
83 2HB PRO 11 HB1 PRO 11 0.012 -8.976 -5.701
84 1HG PRO 11 HG2 PRO 11 2.871 -8.956 -5.827
85 2HG PRO 11 HG1 PRO 11 1.728 -8.620 -7.131
86 1HD PRO 11 HD2 PRO 11 3.431 -6.760 -5.732
87 2HD PRO 11 HD1 PRO 11 2.306 -6.415 -7.067
88 H GLU 12 HN GLU 12 2.498 -6.583 -3.105
89 HA GLU 12 HA GLU 12 1.509 -7.740 -0.585
90 1HB GLU 12 HB2 GLU 12 3.994 -6.389 -1.609
91 2HB GLU 12 HB1 GLU 12 3.766 -6.580 0.130
92 1HG GLU 12 HG2 GLU 12 3.244 -8.974 -1.564
93 2HG GLU 12 HG1 GLU 12 4.928 -8.482 -1.377
94 H CYS 13 HN CYS 13 1.990 -4.521 -2.013
95 HA CYS 13 HA CYS 13 1.403 -3.015 0.385
96 1HB CYS 13 HB2 CYS 13 2.598 -2.175 -1.643
97 2HB CYS 13 HB1 CYS 13 1.090 -2.295 -2.551
98 H LEU 14 HN LEU 14 -0.567 -4.429 -2.190
99 HA LEU 14 HA LEU 14 -3.000 -3.078 -1.848
100 1HB LEU 14 HB2 LEU 14 -1.997 -5.600 -2.892
101 2HB LEU 14 HB1 LEU 14 -3.611 -5.793 -2.208
102 HG LEU 14 HG LEU 14 -3.854 -3.420 -3.577
103 1HD1 LEU 14 HD11 LEU 14 -2.904 -4.488 -5.901
104 2HD1 LEU 14 HD12 LEU 14 -1.672 -5.031 -4.762
105 3HD1 LEU 14 HD13 LEU 14 -2.019 -3.310 -4.930
106 1HD2 LEU 14 HD21 LEU 14 -5.493 -4.589 -4.641
107 2HD2 LEU 14 HD22 LEU 14 -5.022 -5.908 -3.569
108 3HD2 LEU 14 HD23 LEU 14 -4.371 -5.826 -5.207
109 HA PRO 15 HA PRO 15 -4.197 -6.252 1.639
110 1HB PRO 15 HB2 PRO 15 -1.727 -7.292 2.683
111 2HB PRO 15 HB1 PRO 15 -3.044 -8.187 1.920
112 1HG PRO 15 HG2 PRO 15 -0.440 -7.571 0.835
113 2HG PRO 15 HG1 PRO 15 -1.724 -8.551 0.118
114 1HD PRO 15 HD2 PRO 15 -0.862 -5.962 -0.725
115 2HD PRO 15 HD1 PRO 15 -2.265 -6.879 -1.329
116 H LYS 16 HN LYS 16 -0.918 -4.837 1.935
117 HA LYS 16 HA LYS 16 -1.007 -3.974 4.615
118 1HB LYS 16 HB2 LYS 16 0.170 -2.662 2.140
119 2HB LYS 16 HB1 LYS 16 0.628 -2.264 3.797
120 1HG LYS 16 HG2 LYS 16 0.733 -5.125 2.896
121 2HG LYS 16 HG1 LYS 16 2.036 -4.029 2.437
122 1HD LYS 16 HD2 LYS 16 2.328 -3.424 4.839
123 2HD LYS 16 HD1 LYS 16 1.097 -4.615 5.260
124 1HE LYS 16 HE2 LYS 16 3.602 -5.320 3.696
125 2HE LYS 16 HE1 LYS 16 3.472 -5.483 5.459
126 1HZ LYS 16 HZ1 LYS 16 1.319 -6.707 4.980
127 2HZ LYS 16 HZ2 LYS 16 2.758 -7.537 4.620
128 3HZ LYS 16 HZ3 LYS 16 1.852 -6.821 3.374
129 H CYS 17 HN CYS 17 -2.277 -2.384 1.689
130 HA CYS 17 HA CYS 17 -3.199 0.006 3.034
131 1HB CYS 17 HB2 CYS 17 -3.921 -1.388 0.438
132 2HB CYS 17 HB1 CYS 17 -4.517 0.212 0.878
133 H LYS 18 HN LYS 18 -4.522 -3.204 2.514
134 HA LYS 18 HA LYS 18 -7.281 -2.575 3.129
135 1HB LYS 18 HB2 LYS 18 -6.309 -4.587 1.902
136 2HB LYS 18 HB1 LYS 18 -5.789 -5.193 3.474
137 1HG LYS 18 HG2 LYS 18 -7.958 -5.594 4.194
138 2HG LYS 18 HG1 LYS 18 -8.647 -4.356 3.140
139 1HD LYS 18 HD2 LYS 18 -9.279 -6.177 1.902
140 2HD LYS 18 HD1 LYS 18 -7.638 -6.036 1.272
141 1HE LYS 18 HE2 LYS 18 -7.590 -7.523 3.751
142 2HE LYS 18 HE1 LYS 18 -8.738 -8.264 2.619
143 1HZ LYS 18 HZ1 LYS 18 -7.087 -8.222 0.900
144 2HZ LYS 18 HZ2 LYS 18 -6.418 -8.996 2.257
145 3HZ LYS 18 HZ3 LYS 18 -5.993 -7.392 1.893
146 H GLU 19 HN GLU 19 -4.413 -3.104 5.032
147 HA GLU 19 HA GLU 19 -5.943 -3.613 7.520
148 1HB GLU 19 HB2 GLU 19 -3.599 -4.539 6.597
149 2HB GLU 19 HB1 GLU 19 -2.999 -3.116 7.449
150 1HG GLU 19 HG2 GLU 19 -4.412 -3.913 9.441
151 2HG GLU 19 HG1 GLU 19 -4.554 -5.446 8.580
152 H ALA 20 HN ALA 20 -4.293 -0.998 5.858
153 HA ALA 20 HA ALA 20 -4.142 0.747 8.208
154 1HB ALA 20 HB1 ALA 20 -4.020 1.983 5.555
155 2HB ALA 20 HB2 ALA 20 -2.983 0.562 5.683
156 3HB ALA 20 HB3 ALA 20 -2.779 1.904 6.809
157 H ILE 21 HN ILE 21 -6.175 0.576 5.266
158 HA ILE 21 HA ILE 21 -8.151 2.358 6.659
159 HB ILE 21 HB ILE 21 -8.713 2.952 4.192
160 1HG1 ILE 21 HG12 ILE 21 -5.873 2.028 3.741
161 2HG1 ILE 21 HG11 ILE 21 -7.240 0.963 3.413
162 1HG2 ILE 21 HG21 ILE 21 -7.070 4.707 4.199
163 2HG2 ILE 21 HG22 ILE 21 -5.975 3.757 5.204
164 3HG2 ILE 21 HG23 ILE 21 -7.477 4.383 5.884
165 1HD1 ILE 21 HD11 ILE 21 -6.704 2.105 1.356
166 2HD1 ILE 21 HD12 ILE 21 -6.694 3.669 2.168
167 3HD1 ILE 21 HD13 ILE 21 -8.210 2.790 1.966
168 H GLY 22 HN GLY 22 -7.645 -0.448 4.562
169 1HA GLY 22 HA2 GLY 22 -9.069 -2.399 4.636
170 2HA GLY 22 HA1 GLY 22 -10.364 -1.394 5.286
171 H LYS 23 HN LYS 23 -8.387 -0.613 2.448
172 HA LYS 23 HA LYS 23 -10.868 -0.877 0.784
173 1HB LYS 23 HB2 LYS 23 -8.658 1.182 0.881
174 2HB LYS 23 HB1 LYS 23 -9.753 1.057 -0.497
175 1HG LYS 23 HG2 LYS 23 -11.141 1.044 2.090
176 2HG LYS 23 HG1 LYS 23 -10.242 2.532 1.787
177 1HD LYS 23 HD2 LYS 23 -11.617 3.165 0.087
178 2HD LYS 23 HD1 LYS 23 -11.769 1.519 -0.530
179 1HE LYS 23 HE2 LYS 23 -13.051 1.606 2.028
180 2HE LYS 23 HE1 LYS 23 -13.658 2.962 1.058
181 1HZ LYS 23 HZ1 LYS 23 -14.778 0.745 0.671
182 2HZ LYS 23 HZ2 LYS 23 -13.328 0.235 -0.051
183 3HZ LYS 23 HZ3 LYS 23 -14.198 1.536 -0.713
184 H ALA 24 HN ALA 24 -7.685 -1.926 1.241
185 HA ALA 24 HA ALA 24 -6.129 -3.041 -0.175
186 1HB ALA 24 HB1 ALA 24 -7.196 -4.948 -1.138
187 2HB ALA 24 HB2 ALA 24 -8.706 -4.068 -1.382
188 3HB ALA 24 HB3 ALA 24 -8.193 -4.509 0.248
189 H ALA 25 HN ALA 25 -6.537 -0.446 -1.163
190 HA ALA 25 HA ALA 25 -6.490 -0.938 -4.117
191 1HB ALA 25 HB1 ALA 25 -7.695 1.501 -2.793
192 2HB ALA 25 HB2 ALA 25 -8.649 0.055 -3.126
193 3HB ALA 25 HB3 ALA 25 -7.910 0.950 -4.454
194 H GLY 26 HN GLY 26 -4.074 -0.927 -3.373
195 1HA GLY 26 HA2 GLY 26 -3.041 1.797 -3.844
196 2HA GLY 26 HA1 GLY 26 -2.557 1.042 -2.325
197 H LYS 27 HN LYS 27 -0.426 1.513 -3.713
198 HA LYS 27 HA LYS 27 0.329 -1.118 -4.909
199 1HB LYS 27 HB2 LYS 27 1.083 1.531 -6.155
200 2HB LYS 27 HB1 LYS 27 1.156 -0.074 -6.882
201 1HG LYS 27 HG2 LYS 27 -1.296 -0.216 -6.867
202 2HG LYS 27 HG1 LYS 27 -1.396 1.362 -6.086
203 1HD LYS 27 HD2 LYS 27 -0.160 2.331 -8.058
204 2HD LYS 27 HD1 LYS 27 -0.311 0.763 -8.851
205 1HE LYS 27 HE2 LYS 27 -2.348 1.434 -9.594
206 2HE LYS 27 HE1 LYS 27 -2.905 1.398 -7.909
207 1HZ LYS 27 HZ1 LYS 27 -1.765 3.631 -7.691
208 2HZ LYS 27 HZ2 LYS 27 -3.203 3.607 -8.596
209 3HZ LYS 27 HZ3 LYS 27 -1.700 3.664 -9.386
210 H CYS 28 HN CYS 28 2.815 -1.136 -5.230
211 HA CYS 28 HA CYS 28 4.086 0.167 -2.852
212 1HB CYS 28 HB2 CYS 28 4.148 -2.247 -2.842
213 2HB CYS 28 HB1 CYS 28 4.703 -2.292 -4.515
214 H MET 29 HN MET 29 5.494 1.825 -3.287
215 HA MET 29 HA MET 29 6.908 1.832 -5.928
216 1HB MET 29 HB2 MET 29 4.996 3.305 -6.101
217 2HB MET 29 HB1 MET 29 5.375 4.057 -4.551
218 1HG MET 29 HG2 MET 29 6.160 5.545 -6.274
219 2HG MET 29 HG1 MET 29 7.580 4.789 -5.551
220 1HE MET 29 HE1 MET 29 4.823 3.924 -8.240
221 2HE MET 29 HE2 MET 29 5.774 4.204 -9.697
222 3HE MET 29 HE3 MET 29 5.524 5.519 -8.552
223 H ASN 30 HN ASN 30 9.081 2.085 -5.626
224 HA ASN 30 HA ASN 30 11.132 2.582 -4.565
225 1HB ASN 30 HB2 ASN 30 9.368 4.803 -4.495
226 2HB ASN 30 HB1 ASN 30 10.169 4.751 -2.924
227 1HD2 ASN 30 HD21 ASN 30 12.697 4.244 -3.191
228 2HD2 ASN 30 HD22 ASN 30 13.478 5.133 -4.408
229 H GLY 31 HN GLY 31 8.996 0.866 -3.152
230 1HA GLY 31 HA2 GLY 31 9.276 -0.445 -1.172
231 2HA GLY 31 HA1 GLY 31 10.419 0.756 -0.569
232 H LYS 32 HN LYS 32 7.758 2.388 -1.741
233 HA LYS 32 HA LYS 32 6.665 2.654 1.029
234 1HB LYS 32 HB2 LYS 32 7.142 4.403 -1.308
235 2HB LYS 32 HB1 LYS 32 5.624 4.702 -0.464
236 1HG LYS 32 HG2 LYS 32 7.074 6.055 0.752
237 2HG LYS 32 HG1 LYS 32 7.144 4.562 1.690
238 1HD LYS 32 HD2 LYS 32 9.051 4.318 -0.404
239 2HD LYS 32 HD1 LYS 32 9.279 5.910 0.322
240 1HE LYS 32 HE2 LYS 32 9.234 4.744 2.598
241 2HE LYS 32 HE1 LYS 32 9.368 3.215 1.706
242 1HZ LYS 32 HZ1 LYS 32 11.423 3.734 0.916
243 2HZ LYS 32 HZ2 LYS 32 11.500 4.585 2.385
244 3HZ LYS 32 HZ3 LYS 32 11.147 5.407 0.940
245 H CYS 33 HN CYS 33 4.368 2.574 1.337
246 HA CYS 33 HA CYS 33 2.938 0.981 -0.719
247 1HB CYS 33 HB2 CYS 33 3.168 0.870 2.021
248 2HB CYS 33 HB1 CYS 33 1.634 1.710 1.834
249 H LYS 34 HN LYS 34 1.487 2.014 -2.067
250 HA LYS 34 HA LYS 34 0.659 4.794 -1.354
251 1HB LYS 34 HB2 LYS 34 1.290 3.256 -3.802
252 2HB LYS 34 HB1 LYS 34 -0.055 4.385 -3.959
253 1HG LYS 34 HG2 LYS 34 1.348 6.146 -3.983
254 2HG LYS 34 HG1 LYS 34 2.113 5.611 -2.487
255 1HD LYS 34 HD2 LYS 34 3.947 5.217 -3.752
256 2HD LYS 34 HD1 LYS 34 3.076 3.803 -4.348
257 1HE LYS 34 HE2 LYS 34 2.911 6.569 -5.601
258 2HE LYS 34 HE1 LYS 34 3.904 5.234 -6.221
259 1HZ LYS 34 HZ1 LYS 34 2.003 4.747 -7.326
260 2HZ LYS 34 HZ2 LYS 34 1.002 5.532 -6.200
261 3HZ LYS 34 HZ3 LYS 34 1.603 3.977 -5.868
262 H CYS 35 HN CYS 35 -1.062 4.030 0.110
263 HA CYS 35 HA CYS 35 -3.256 2.418 -1.015
264 1HB CYS 35 HB2 CYS 35 -3.054 3.956 1.593
265 2HB CYS 35 HB1 CYS 35 -4.141 2.613 1.239
266 H TYR 36 HN TYR 36 -5.361 3.249 -1.454
267 HA TYR 36 HA TYR 36 -5.563 6.241 -1.598
268 1HB TYR 36 HB2 TYR 36 -6.055 4.036 -3.545
269 2HB TYR 36 HB1 TYR 36 -7.156 5.414 -3.601
270 HD1 TYR 36 HD1 TYR 36 -6.211 7.745 -3.875
271 HD2 TYR 36 HD2 TYR 36 -3.819 4.208 -4.348
272 HE1 TYR 36 HE1 TYR 36 -4.491 9.069 -5.075
273 HE2 TYR 36 HE2 TYR 36 -2.099 5.531 -5.548
274 HH TYR 36 HH TYR 36 -1.568 7.514 -6.398
275 HA PRO 37 HA PRO 37 -8.977 5.063 1.170
276 1HB PRO 37 HB2 PRO 37 -9.583 7.869 1.356
277 2HB PRO 37 HB1 PRO 37 -8.824 6.837 2.571
278 1HG PRO 37 HG2 PRO 37 -7.593 8.892 0.990
279 2HG PRO 37 HG1 PRO 37 -6.837 7.855 2.204
280 1HD PRO 37 HD2 PRO 37 -6.503 7.758 -0.660
281 2HD PRO 37 HD1 PRO 37 -5.752 6.703 0.563
Start of MODEL 24
1 1H VAL 1 HT1 VAL 1 -2.539 9.796 3.136
2 2H VAL 1 HT2 VAL 1 -3.241 8.590 2.169
3 3H VAL 1 HT3 VAL 1 -1.561 8.841 2.132
4 HA VAL 1 HA VAL 1 -1.905 8.352 4.741
5 HB VAL 1 HB VAL 1 -3.949 6.771 3.144
6 1HG1 VAL 1 HG11 VAL 1 -2.601 6.274 5.666
7 2HG1 VAL 1 HG12 VAL 1 -3.718 5.237 4.780
8 3HG1 VAL 1 HG13 VAL 1 -4.339 6.442 5.907
9 1HG2 VAL 1 HG21 VAL 1 -4.336 8.785 5.383
10 2HG2 VAL 1 HG22 VAL 1 -5.608 7.955 4.486
11 3HG2 VAL 1 HG23 VAL 1 -4.584 9.137 3.672
12 H PHE 2 HN PHE 2 0.090 8.116 2.817
13 HA PHE 2 HA PHE 2 0.422 5.253 2.148
14 1HB PHE 2 HB2 PHE 2 2.147 7.714 1.715
15 2HB PHE 2 HB1 PHE 2 2.440 6.131 1.000
16 HD1 PHE 2 HD1 PHE 2 2.262 8.111 -0.954
17 HD2 PHE 2 HD2 PHE 2 -0.996 6.255 1.145
18 HE1 PHE 2 HE1 PHE 2 0.733 8.675 -2.822
19 HE2 PHE 2 HE2 PHE 2 -2.522 6.823 -0.720
20 HZ PHE 2 HZ PHE 2 -1.658 8.032 -2.705
21 H ILE 3 HN ILE 3 2.895 4.544 2.562
22 HA ILE 3 HA ILE 3 3.962 5.471 5.145
23 HB ILE 3 HB ILE 3 3.748 2.969 5.935
24 1HG1 ILE 3 HG12 ILE 3 1.507 3.220 3.901
25 2HG1 ILE 3 HG11 ILE 3 2.859 2.088 3.826
26 1HG2 ILE 3 HG21 ILE 3 2.343 5.298 6.440
27 2HG2 ILE 3 HG22 ILE 3 2.202 3.802 7.360
28 3HG2 ILE 3 HG23 ILE 3 1.067 4.145 6.055
29 1HD1 ILE 3 HD11 ILE 3 1.716 0.627 5.097
30 2HD1 ILE 3 HD12 ILE 3 0.358 1.750 5.158
31 3HD1 ILE 3 HD13 ILE 3 1.618 1.822 6.390
32 H ASN 4 HN ASN 4 6.152 5.073 5.235
33 HA ASN 4 HA ASN 4 7.408 3.732 2.927
34 1HB ASN 4 HB2 ASN 4 9.478 4.620 4.082
35 2HB ASN 4 HB1 ASN 4 8.280 5.856 3.694
36 1HD2 ASN 4 HD21 ASN 4 8.121 7.302 5.407
37 2HD2 ASN 4 HD22 ASN 4 8.149 6.878 7.051
38 H ALA 5 HN ALA 5 6.316 1.620 3.867
39 HA ALA 5 HA ALA 5 7.739 0.423 6.157
40 1HB ALA 5 HB1 ALA 5 5.398 -0.130 4.406
41 2HB ALA 5 HB2 ALA 5 5.545 -0.266 6.157
42 3HB ALA 5 HB3 ALA 5 6.188 -1.535 5.118
43 H LYS 6 HN LYS 6 8.616 0.923 3.029
44 HA LYS 6 HA LYS 6 10.179 -0.125 1.595
45 1HB LYS 6 HB2 LYS 6 10.756 -0.884 4.390
46 2HB LYS 6 HB1 LYS 6 11.465 -1.959 3.186
47 1HG LYS 6 HG2 LYS 6 11.730 0.916 2.569
48 2HG LYS 6 HG1 LYS 6 12.606 0.389 4.007
49 1HD LYS 6 HD2 LYS 6 14.043 -0.940 2.814
50 2HD LYS 6 HD1 LYS 6 12.818 -1.368 1.619
51 1HE LYS 6 HE2 LYS 6 13.957 0.074 0.255
52 2HE LYS 6 HE1 LYS 6 13.134 1.345 1.179
53 1HZ LYS 6 HZ1 LYS 6 15.182 0.551 2.802
54 2HZ LYS 6 HZ2 LYS 6 15.156 1.959 1.853
55 3HZ LYS 6 HZ3 LYS 6 15.886 0.545 1.258
56 H CYS 7 HN CYS 7 7.749 -1.143 1.092
57 HA CYS 7 HA CYS 7 7.350 -3.936 1.633
58 1HB CYS 7 HB2 CYS 7 5.601 -3.715 -0.004
59 2HB CYS 7 HB1 CYS 7 5.702 -2.164 0.827
60 H ARG 8 HN ARG 8 7.414 -5.648 -0.135
61 HA ARG 8 HA ARG 8 9.942 -5.357 -1.708
62 1HB ARG 8 HB2 ARG 8 8.395 -7.695 -0.562
63 2HB ARG 8 HB1 ARG 8 9.743 -7.911 -1.681
64 1HG ARG 8 HG2 ARG 8 11.280 -6.857 -0.172
65 2HG ARG 8 HG1 ARG 8 9.971 -6.304 0.873
66 1HD ARG 8 HD2 ARG 8 9.391 -8.782 1.220
67 2HD ARG 8 HD1 ARG 8 10.967 -9.137 0.482
68 HE ARG 8 HE ARG 8 11.405 -7.123 2.417
69 1HH1 ARG 8 HH21 ARG 8 9.270 -9.123 3.583
70 2HH1 ARG 8 HH22 ARG 8 10.310 -10.107 4.557
71 1HH2 ARG 8 HH11 ARG 8 13.228 -8.934 3.093
72 2HH2 ARG 8 HH12 ARG 8 12.553 -10.000 4.281
73 H GLY 9 HN GLY 9 6.553 -5.433 -2.056
74 1HA GLY 9 HA2 GLY 9 6.799 -5.537 -4.966
75 2HA GLY 9 HA1 GLY 9 5.956 -6.929 -4.289
76 H SER 10 HN SER 10 4.801 -4.943 -6.023
77 HA SER 10 HA SER 10 3.248 -2.976 -4.656
78 1HB SER 10 HB2 SER 10 2.134 -4.306 -7.057
79 2HB SER 10 HB1 SER 10 2.469 -2.600 -6.770
80 HG SER 10 HG SER 10 3.856 -4.007 -8.287
81 HA PRO 11 HA PRO 11 -0.265 -6.362 -4.745
82 1HB PRO 11 HB2 PRO 11 1.057 -8.872 -4.247
83 2HB PRO 11 HB1 PRO 11 0.067 -8.413 -5.635
84 1HG PRO 11 HG2 PRO 11 2.904 -8.783 -5.559
85 2HG PRO 11 HG1 PRO 11 1.914 -8.285 -6.933
86 1HD PRO 11 HD2 PRO 11 3.748 -6.687 -5.385
87 2HD PRO 11 HD1 PRO 11 2.781 -6.179 -6.792
88 H GLU 12 HN GLU 12 2.559 -6.104 -2.801
89 HA GLU 12 HA GLU 12 1.500 -7.367 -0.392
90 1HB GLU 12 HB2 GLU 12 3.925 -6.255 -1.375
91 2HB GLU 12 HB1 GLU 12 3.504 -5.340 0.075
92 1HG GLU 12 HG2 GLU 12 3.011 -7.743 1.065
93 2HG GLU 12 HG1 GLU 12 4.113 -8.262 -0.212
94 H CYS 13 HN CYS 13 1.213 -4.284 -1.955
95 HA CYS 13 HA CYS 13 0.462 -2.696 0.345
96 1HB CYS 13 HB2 CYS 13 0.515 -2.525 -2.624
97 2HB CYS 13 HB1 CYS 13 -0.606 -1.436 -1.809
98 H LEU 14 HN LEU 14 -1.254 -4.876 -1.812
99 HA LEU 14 HA LEU 14 -3.916 -3.976 -1.438
100 1HB LEU 14 HB2 LEU 14 -2.456 -6.395 -2.279
101 2HB LEU 14 HB1 LEU 14 -4.070 -6.715 -1.648
102 HG LEU 14 HG LEU 14 -4.691 -4.638 -3.206
103 1HD1 LEU 14 HD11 LEU 14 -2.415 -5.924 -4.731
104 2HD1 LEU 14 HD12 LEU 14 -2.218 -4.425 -3.822
105 3HD1 LEU 14 HD13 LEU 14 -3.345 -4.494 -5.177
106 1HD2 LEU 14 HD21 LEU 14 -5.842 -6.626 -3.627
107 2HD2 LEU 14 HD22 LEU 14 -4.360 -7.556 -3.843
108 3HD2 LEU 14 HD23 LEU 14 -4.902 -6.455 -5.109
109 HA PRO 15 HA PRO 15 -4.161 -7.044 2.335
110 1HB PRO 15 HB2 PRO 15 -1.464 -7.465 3.236
111 2HB PRO 15 HB1 PRO 15 -2.602 -8.671 2.629
112 1HG PRO 15 HG2 PRO 15 -0.263 -7.613 1.320
113 2HG PRO 15 HG1 PRO 15 -1.363 -8.869 0.746
114 1HD PRO 15 HD2 PRO 15 -1.100 -6.202 -0.260
115 2HD PRO 15 HD1 PRO 15 -2.291 -7.433 -0.749
116 H LYS 16 HN LYS 16 -1.235 -4.979 2.298
117 HA LYS 16 HA LYS 16 -1.463 -3.973 4.961
118 1HB LYS 16 HB2 LYS 16 -0.257 -2.949 2.379
119 2HB LYS 16 HB1 LYS 16 -0.049 -2.102 3.914
120 1HG LYS 16 HG2 LYS 16 0.514 -5.028 3.900
121 2HG LYS 16 HG1 LYS 16 1.677 -3.983 3.083
122 1HD LYS 16 HD2 LYS 16 0.925 -2.772 5.578
123 2HD LYS 16 HD1 LYS 16 1.425 -4.438 5.874
124 1HE LYS 16 HE2 LYS 16 3.600 -4.039 5.233
125 2HE LYS 16 HE1 LYS 16 3.123 -2.850 4.002
126 1HZ LYS 16 HZ1 LYS 16 2.453 -2.155 6.737
127 2HZ LYS 16 HZ2 LYS 16 3.079 -1.183 5.490
128 3HZ LYS 16 HZ3 LYS 16 4.114 -2.180 6.397
129 H CYS 17 HN CYS 17 -2.544 -2.532 1.858
130 HA CYS 17 HA CYS 17 -3.736 -0.186 2.872
131 1HB CYS 17 HB2 CYS 17 -4.326 -2.031 0.552
132 2HB CYS 17 HB1 CYS 17 -5.241 -0.543 0.793
133 H LYS 18 HN LYS 18 -5.039 -3.485 2.683
134 HA LYS 18 HA LYS 18 -7.737 -2.923 3.402
135 1HB LYS 18 HB2 LYS 18 -6.673 -5.062 2.527
136 2HB LYS 18 HB1 LYS 18 -6.066 -5.336 4.160
137 1HG LYS 18 HG2 LYS 18 -8.063 -6.502 4.270
138 2HG LYS 18 HG1 LYS 18 -8.599 -4.913 4.818
139 1HD LYS 18 HD2 LYS 18 -9.168 -4.382 2.407
140 2HD LYS 18 HD1 LYS 18 -8.864 -6.080 2.037
141 1HE LYS 18 HE2 LYS 18 -10.697 -5.490 4.326
142 2HE LYS 18 HE1 LYS 18 -11.320 -5.242 2.681
143 1HZ LYS 18 HZ1 LYS 18 -9.734 -7.641 3.112
144 2HZ LYS 18 HZ2 LYS 18 -11.131 -7.418 2.172
145 3HZ LYS 18 HZ3 LYS 18 -11.259 -7.628 3.853
146 H GLU 19 HN GLU 19 -4.993 -3.932 5.476
147 HA GLU 19 HA GLU 19 -6.484 -3.483 7.941
148 1HB GLU 19 HB2 GLU 19 -3.733 -4.268 7.072
149 2HB GLU 19 HB1 GLU 19 -3.928 -3.682 8.724
150 1HG GLU 19 HG2 GLU 19 -5.506 -5.946 7.463
151 2HG GLU 19 HG1 GLU 19 -4.191 -6.134 8.623
152 H ALA 20 HN ALA 20 -5.076 -1.380 5.729
153 HA ALA 20 HA ALA 20 -4.338 0.630 7.817
154 1HB ALA 20 HB1 ALA 20 -3.659 0.125 4.931
155 2HB ALA 20 HB2 ALA 20 -2.571 0.370 6.298
156 3HB ALA 20 HB3 ALA 20 -3.441 1.741 5.606
157 H ILE 21 HN ILE 21 -6.167 0.335 4.750
158 HA ILE 21 HA ILE 21 -7.793 2.706 5.610
159 HB ILE 21 HB ILE 21 -6.415 3.070 3.615
160 1HG1 ILE 21 HG12 ILE 21 -9.347 2.644 2.955
161 2HG1 ILE 21 HG11 ILE 21 -8.641 4.106 3.646
162 1HG2 ILE 21 HG21 ILE 21 -7.182 1.600 1.564
163 2HG2 ILE 21 HG22 ILE 21 -7.638 0.448 2.817
164 3HG2 ILE 21 HG23 ILE 21 -5.964 0.984 2.681
165 1HD1 ILE 21 HD11 ILE 21 -7.061 3.926 1.512
166 2HD1 ILE 21 HD12 ILE 21 -8.644 4.696 1.410
167 3HD1 ILE 21 HD13 ILE 21 -8.436 3.033 0.863
168 H GLY 22 HN GLY 22 -7.847 -0.606 4.424
169 1HA GLY 22 HA2 GLY 22 -9.619 -2.165 4.715
170 2HA GLY 22 HA1 GLY 22 -10.661 -0.842 5.235
171 H LYS 23 HN LYS 23 -8.784 -0.997 2.217
172 HA LYS 23 HA LYS 23 -11.356 -1.261 0.709
173 1HB LYS 23 HB2 LYS 23 -10.694 1.129 1.032
174 2HB LYS 23 HB1 LYS 23 -9.171 0.784 0.208
175 1HG LYS 23 HG2 LYS 23 -10.157 0.980 -1.806
176 2HG LYS 23 HG1 LYS 23 -11.382 -0.208 -1.364
177 1HD LYS 23 HD2 LYS 23 -12.930 1.392 -0.987
178 2HD LYS 23 HD1 LYS 23 -11.805 2.352 -0.027
179 1HE LYS 23 HE2 LYS 23 -11.519 3.784 -1.758
180 2HE LYS 23 HE1 LYS 23 -11.010 2.443 -2.804
181 1HZ LYS 23 HZ1 LYS 23 -13.166 3.665 -3.403
182 2HZ LYS 23 HZ2 LYS 23 -13.852 2.828 -2.093
183 3HZ LYS 23 HZ3 LYS 23 -13.191 1.969 -3.401
184 H ALA 24 HN ALA 24 -8.315 -2.468 1.204
185 HA ALA 24 HA ALA 24 -6.775 -3.675 -0.147
186 1HB ALA 24 HB1 ALA 24 -8.165 -5.468 -0.258
187 2HB ALA 24 HB2 ALA 24 -8.521 -4.934 -1.901
188 3HB ALA 24 HB3 ALA 24 -9.573 -4.452 -0.570
189 H ALA 25 HN ALA 25 -6.855 -1.036 -1.056
190 HA ALA 25 HA ALA 25 -6.515 -1.431 -3.992
191 1HB ALA 25 HB1 ALA 25 -8.289 0.555 -2.557
192 2HB ALA 25 HB2 ALA 25 -8.734 -0.572 -3.838
193 3HB ALA 25 HB3 ALA 25 -7.738 0.834 -4.208
194 H GLY 26 HN GLY 26 -4.330 -0.955 -4.131
195 1HA GLY 26 HA2 GLY 26 -3.403 1.721 -3.749
196 2HA GLY 26 HA1 GLY 26 -2.890 0.739 -2.377
197 H LYS 27 HN LYS 27 -0.800 1.588 -3.592
198 HA LYS 27 HA LYS 27 0.224 -0.742 -5.131
199 1HB LYS 27 HB2 LYS 27 0.637 2.117 -6.036
200 2HB LYS 27 HB1 LYS 27 0.951 0.639 -6.945
201 1HG LYS 27 HG2 LYS 27 -1.576 0.172 -6.703
202 2HG LYS 27 HG1 LYS 27 -1.714 1.866 -6.235
203 1HD LYS 27 HD2 LYS 27 -0.057 1.651 -8.584
204 2HD LYS 27 HD1 LYS 27 -1.587 0.816 -8.860
205 1HE LYS 27 HE2 LYS 27 -2.640 2.805 -9.100
206 2HE LYS 27 HE1 LYS 27 -2.104 3.300 -7.482
207 1HZ LYS 27 HZ1 LYS 27 -0.498 3.444 -9.980
208 2HZ LYS 27 HZ2 LYS 27 0.074 3.835 -8.430
209 3HZ LYS 27 HZ3 LYS 27 -1.157 4.763 -9.143
210 H CYS 28 HN CYS 28 2.741 -0.337 -5.436
211 HA CYS 28 HA CYS 28 3.790 1.126 -3.037
212 1HB CYS 28 HB2 CYS 28 3.565 -1.593 -3.273
213 2HB CYS 28 HB1 CYS 28 5.195 -1.332 -3.897
214 H MET 29 HN MET 29 5.411 2.529 -3.580
215 HA MET 29 HA MET 29 7.094 1.952 -5.975
216 1HB MET 29 HB2 MET 29 5.104 3.364 -6.576
217 2HB MET 29 HB1 MET 29 5.668 4.574 -5.424
218 1HG MET 29 HG2 MET 29 6.832 5.434 -7.166
219 2HG MET 29 HG1 MET 29 7.934 4.080 -6.917
220 1HE MET 29 HE1 MET 29 5.352 5.703 -9.458
221 2HE MET 29 HE2 MET 29 4.503 4.906 -8.136
222 3HE MET 29 HE3 MET 29 4.368 4.268 -9.773
223 H ASN 30 HN ASN 30 9.148 3.079 -5.897
224 HA ASN 30 HA ASN 30 11.029 3.968 -4.778
225 1HB ASN 30 HB2 ASN 30 9.170 5.811 -4.740
226 2HB ASN 30 HB1 ASN 30 9.045 5.411 -3.027
227 1HD2 ASN 30 HD21 ASN 30 11.725 5.974 -5.397
228 2HD2 ASN 30 HD22 ASN 30 12.638 6.946 -4.346
229 H GLY 31 HN GLY 31 9.375 1.592 -3.638
230 1HA GLY 31 HA2 GLY 31 9.831 0.096 -1.868
231 2HA GLY 31 HA1 GLY 31 10.994 1.263 -1.234
232 H LYS 32 HN LYS 32 7.679 2.151 -1.966
233 HA LYS 32 HA LYS 32 6.999 2.092 0.940
234 1HB LYS 32 HB2 LYS 32 6.796 4.486 -0.919
235 2HB LYS 32 HB1 LYS 32 6.301 4.456 0.775
236 1HG LYS 32 HG2 LYS 32 8.709 3.740 1.302
237 2HG LYS 32 HG1 LYS 32 9.095 4.216 -0.351
238 1HD LYS 32 HD2 LYS 32 8.214 6.480 0.093
239 2HD LYS 32 HD1 LYS 32 7.834 6.005 1.749
240 1HE LYS 32 HE2 LYS 32 10.043 6.052 2.414
241 2HE LYS 32 HE1 LYS 32 10.639 5.547 0.821
242 1HZ LYS 32 HZ1 LYS 32 9.403 8.185 1.414
243 2HZ LYS 32 HZ2 LYS 32 10.056 7.691 -0.075
244 3HZ LYS 32 HZ3 LYS 32 11.071 7.915 1.269
245 H CYS 33 HN CYS 33 4.689 2.117 1.316
246 HA CYS 33 HA CYS 33 3.126 1.076 -0.975
247 1HB CYS 33 HB2 CYS 33 3.309 0.077 1.386
248 2HB CYS 33 HB1 CYS 33 2.288 1.415 1.911
249 H LYS 34 HN LYS 34 1.041 1.976 -1.522
250 HA LYS 34 HA LYS 34 0.353 4.647 -0.414
251 1HB LYS 34 HB2 LYS 34 0.662 4.179 -3.387
252 2HB LYS 34 HB1 LYS 34 0.528 5.720 -2.539
253 1HG LYS 34 HG2 LYS 34 2.714 5.169 -1.388
254 2HG LYS 34 HG1 LYS 34 2.864 3.792 -2.480
255 1HD LYS 34 HD2 LYS 34 2.571 6.682 -3.353
256 2HD LYS 34 HD1 LYS 34 4.084 5.777 -3.334
257 1HE LYS 34 HE2 LYS 34 1.634 5.236 -5.040
258 2HE LYS 34 HE1 LYS 34 3.283 5.604 -5.586
259 1HZ LYS 34 HZ1 LYS 34 2.302 3.166 -4.224
260 2HZ LYS 34 HZ2 LYS 34 3.950 3.580 -4.222
261 3HZ LYS 34 HZ3 LYS 34 3.147 3.285 -5.690
262 H CYS 35 HN CYS 35 -1.680 3.870 0.297
263 HA CYS 35 HA CYS 35 -3.383 2.237 -1.446
264 1HB CYS 35 HB2 CYS 35 -3.947 3.663 1.172
265 2HB CYS 35 HB1 CYS 35 -4.890 2.341 0.479
266 H TYR 36 HN TYR 36 -5.760 3.055 -1.699
267 HA TYR 36 HA TYR 36 -5.649 5.851 -2.759
268 1HB TYR 36 HB2 TYR 36 -6.918 3.270 -3.523
269 2HB TYR 36 HB1 TYR 36 -7.851 4.727 -3.865
270 HD1 TYR 36 HD1 TYR 36 -6.316 6.736 -4.846
271 HD2 TYR 36 HD2 TYR 36 -5.487 2.537 -5.209
272 HE1 TYR 36 HE1 TYR 36 -4.896 7.189 -6.823
273 HE2 TYR 36 HE2 TYR 36 -4.065 2.992 -7.190
274 HH TYR 36 HH TYR 36 -3.994 6.101 -8.723
275 HA PRO 37 HA PRO 37 -8.455 7.078 0.463
276 1HB PRO 37 HB2 PRO 37 -9.620 9.088 -1.232
277 2HB PRO 37 HB1 PRO 37 -8.418 9.306 0.044
278 1HG PRO 37 HG2 PRO 37 -8.025 9.501 -2.788
279 2HG PRO 37 HG1 PRO 37 -6.821 9.697 -1.511
280 1HD PRO 37 HD2 PRO 37 -7.100 7.503 -3.368
281 2HD PRO 37 HD1 PRO 37 -5.873 7.707 -2.094
Start of MODEL 25
1 1H VAL 1 HT1 VAL 1 -2.323 11.300 1.816
2 2H VAL 1 HT2 VAL 1 -1.188 10.323 1.014
3 3H VAL 1 HT3 VAL 1 -0.696 11.327 2.293
4 HA VAL 1 HA VAL 1 -1.420 9.912 3.893
5 HB VAL 1 HB VAL 1 -3.732 10.273 3.300
6 1HG1 VAL 1 HG11 VAL 1 -4.765 9.422 1.351
7 2HG1 VAL 1 HG12 VAL 1 -3.473 8.255 1.071
8 3HG1 VAL 1 HG13 VAL 1 -3.188 9.973 0.790
9 1HG2 VAL 1 HG21 VAL 1 -4.651 7.931 3.506
10 2HG2 VAL 1 HG22 VAL 1 -3.418 8.326 4.703
11 3HG2 VAL 1 HG23 VAL 1 -3.005 7.329 3.308
12 H PHE 2 HN PHE 2 0.580 8.786 3.587
13 HA PHE 2 HA PHE 2 0.303 6.180 2.153
14 1HB PHE 2 HB2 PHE 2 2.442 8.300 1.870
15 2HB PHE 2 HB1 PHE 2 2.708 6.633 1.366
16 HD1 PHE 2 HD1 PHE 2 -0.053 5.972 0.365
17 HD2 PHE 2 HD2 PHE 2 2.406 9.446 -0.207
18 HE1 PHE 2 HE1 PHE 2 -1.205 6.430 -1.778
19 HE2 PHE 2 HE2 PHE 2 1.253 9.905 -2.353
20 HZ PHE 2 HZ PHE 2 -0.552 8.399 -3.139
21 H ILE 3 HN ILE 3 1.998 4.608 2.899
22 HA ILE 3 HA ILE 3 2.975 5.264 5.663
23 HB ILE 3 HB ILE 3 2.401 2.965 6.252
24 1HG1 ILE 3 HG12 ILE 3 1.452 2.683 3.384
25 2HG1 ILE 3 HG11 ILE 3 2.966 2.016 3.997
26 1HG2 ILE 3 HG21 ILE 3 0.108 3.273 6.362
27 2HG2 ILE 3 HG22 ILE 3 -0.003 3.825 4.691
28 3HG2 ILE 3 HG23 ILE 3 0.613 4.910 5.938
29 1HD1 ILE 3 HD11 ILE 3 1.491 0.891 5.810
30 2HD1 ILE 3 HD12 ILE 3 1.460 0.213 4.183
31 3HD1 ILE 3 HD13 ILE 3 0.145 1.251 4.729
32 H ASN 4 HN ASN 4 5.079 4.519 6.161
33 HA ASN 4 HA ASN 4 6.707 3.689 3.811
34 1HB ASN 4 HB2 ASN 4 8.575 4.368 5.336
35 2HB ASN 4 HB1 ASN 4 7.393 5.654 5.088
36 1HD2 ASN 4 HD21 ASN 4 8.329 6.431 7.263
37 2HD2 ASN 4 HD22 ASN 4 7.652 5.790 8.682
38 H ALA 5 HN ALA 5 5.704 1.438 4.033
39 HA ALA 5 HA ALA 5 6.822 -0.136 6.308
40 1HB ALA 5 HB1 ALA 5 4.460 -0.170 4.614
41 2HB ALA 5 HB2 ALA 5 4.747 -1.020 6.133
42 3HB ALA 5 HB3 ALA 5 5.256 -1.743 4.607
43 H LYS 6 HN LYS 6 8.132 0.910 3.617
44 HA LYS 6 HA LYS 6 9.686 0.068 2.039
45 1HB LYS 6 HB2 LYS 6 10.263 -0.703 4.627
46 2HB LYS 6 HB1 LYS 6 10.337 -2.231 3.748
47 1HG LYS 6 HG2 LYS 6 11.670 -0.609 2.020
48 2HG LYS 6 HG1 LYS 6 12.098 0.145 3.557
49 1HD LYS 6 HD2 LYS 6 13.149 -1.787 4.362
50 2HD LYS 6 HD1 LYS 6 12.276 -2.842 3.250
51 1HE LYS 6 HE2 LYS 6 14.387 -2.758 2.231
52 2HE LYS 6 HE1 LYS 6 13.567 -1.416 1.407
53 1HZ LYS 6 HZ1 LYS 6 14.537 0.146 2.804
54 2HZ LYS 6 HZ2 LYS 6 15.813 -0.941 2.523
55 3HZ LYS 6 HZ3 LYS 6 14.948 -1.000 3.984
56 H CYS 7 HN CYS 7 7.224 -0.712 1.224
57 HA CYS 7 HA CYS 7 6.656 -3.506 1.132
58 1HB CYS 7 HB2 CYS 7 5.287 -2.815 -0.853
59 2HB CYS 7 HB1 CYS 7 5.056 -1.760 0.542
60 H ARG 8 HN ARG 8 7.282 -5.121 -0.338
61 HA ARG 8 HA ARG 8 9.693 -4.503 -1.983
62 1HB ARG 8 HB2 ARG 8 8.430 -6.987 -0.808
63 2HB ARG 8 HB1 ARG 8 9.733 -7.088 -1.994
64 1HG ARG 8 HG2 ARG 8 10.462 -5.154 -0.006
65 2HG ARG 8 HG1 ARG 8 9.958 -6.635 0.808
66 1HD ARG 8 HD2 ARG 8 12.040 -7.430 0.347
67 2HD ARG 8 HD1 ARG 8 11.514 -7.533 -1.345
68 HE ARG 8 HE ARG 8 12.198 -4.836 -0.890
69 1HH1 ARG 8 HH11 ARG 8 13.452 -7.730 -2.029
70 2HH1 ARG 8 HH12 ARG 8 15.112 -7.245 -1.956
71 1HH2 ARG 8 HH21 ARG 8 14.448 -4.284 -0.278
72 2HH2 ARG 8 HH22 ARG 8 15.677 -5.294 -0.963
73 H GLY 9 HN GLY 9 6.349 -5.546 -2.224
74 1HA GLY 9 HA2 GLY 9 6.624 -5.484 -5.191
75 2HA GLY 9 HA1 GLY 9 5.800 -6.845 -4.428
76 H SER 10 HN SER 10 4.665 -4.884 -6.282
77 HA SER 10 HA SER 10 3.078 -2.906 -4.994
78 1HB SER 10 HB2 SER 10 1.955 -4.320 -7.337
79 2HB SER 10 HB1 SER 10 2.312 -2.610 -7.122
80 HG SER 10 HG SER 10 4.531 -3.148 -7.376
81 HA PRO 11 HA PRO 11 -0.421 -6.295 -4.948
82 1HB PRO 11 HB2 PRO 11 0.909 -8.823 -4.590
83 2HB PRO 11 HB1 PRO 11 -0.137 -8.316 -5.918
84 1HG PRO 11 HG2 PRO 11 2.692 -8.711 -5.986
85 2HG PRO 11 HG1 PRO 11 1.651 -8.136 -7.292
86 1HD PRO 11 HD2 PRO 11 3.566 -6.632 -5.731
87 2HD PRO 11 HD1 PRO 11 2.577 -6.062 -7.099
88 H GLU 12 HN GLU 12 2.519 -6.236 -3.100
89 HA GLU 12 HA GLU 12 1.488 -7.556 -0.719
90 1HB GLU 12 HB2 GLU 12 3.868 -5.998 -1.596
91 2HB GLU 12 HB1 GLU 12 3.542 -6.004 0.138
92 1HG GLU 12 HG2 GLU 12 3.162 -8.664 -0.755
93 2HG GLU 12 HG1 GLU 12 4.666 -8.102 -1.484
94 H CYS 13 HN CYS 13 1.560 -4.246 -1.947
95 HA CYS 13 HA CYS 13 0.765 -2.930 0.487
96 1HB CYS 13 HB2 CYS 13 1.740 -2.140 -1.863
97 2HB CYS 13 HB1 CYS 13 0.032 -1.932 -2.244
98 H LEU 14 HN LEU 14 -1.000 -4.701 -1.974
99 HA LEU 14 HA LEU 14 -3.597 -3.630 -1.664
100 1HB LEU 14 HB2 LEU 14 -2.289 -6.005 -2.692
101 2HB LEU 14 HB1 LEU 14 -3.824 -6.429 -1.934
102 HG LEU 14 HG LEU 14 -4.142 -4.018 -3.486
103 1HD1 LEU 14 HD11 LEU 14 -3.862 -5.743 -5.631
104 2HD1 LEU 14 HD12 LEU 14 -2.444 -6.111 -4.648
105 3HD1 LEU 14 HD13 LEU 14 -2.729 -4.461 -5.202
106 1HD2 LEU 14 HD21 LEU 14 -5.705 -5.756 -4.724
107 2HD2 LEU 14 HD22 LEU 14 -6.086 -5.240 -3.081
108 3HD2 LEU 14 HD23 LEU 14 -5.290 -6.790 -3.357
109 HA PRO 15 HA PRO 15 -4.325 -6.806 1.941
110 1HB PRO 15 HB2 PRO 15 -1.732 -7.567 2.925
111 2HB PRO 15 HB1 PRO 15 -2.969 -8.607 2.214
112 1HG PRO 15 HG2 PRO 15 -0.470 -7.766 1.051
113 2HG PRO 15 HG1 PRO 15 -1.680 -8.858 0.371
114 1HD PRO 15 HD2 PRO 15 -1.076 -6.188 -0.481
115 2HD PRO 15 HD1 PRO 15 -2.366 -7.256 -1.083
116 H LYS 16 HN LYS 16 -1.209 -5.045 2.090
117 HA LYS 16 HA LYS 16 -1.464 -4.139 4.802
118 1HB LYS 16 HB2 LYS 16 0.052 -3.285 2.336
119 2HB LYS 16 HB1 LYS 16 0.198 -2.376 3.841
120 1HG LYS 16 HG2 LYS 16 0.749 -5.340 3.501
121 2HG LYS 16 HG1 LYS 16 1.967 -4.078 3.697
122 1HD LYS 16 HD2 LYS 16 0.249 -3.640 5.832
123 2HD LYS 16 HD1 LYS 16 0.321 -5.399 5.723
124 1HE LYS 16 HE2 LYS 16 2.639 -5.457 6.097
125 2HE LYS 16 HE1 LYS 16 2.859 -3.773 5.587
126 1HZ LYS 16 HZ1 LYS 16 1.345 -4.658 7.987
127 2HZ LYS 16 HZ2 LYS 16 1.569 -3.049 7.489
128 3HZ LYS 16 HZ3 LYS 16 2.897 -3.973 8.009
129 H CYS 17 HN CYS 17 -2.462 -2.710 1.696
130 HA CYS 17 HA CYS 17 -3.299 -0.166 2.730
131 1HB CYS 17 HB2 CYS 17 -3.952 -1.849 0.306
132 2HB CYS 17 HB1 CYS 17 -4.668 -0.254 0.541
133 H LYS 18 HN LYS 18 -4.817 -3.327 2.684
134 HA LYS 18 HA LYS 18 -7.527 -2.352 3.155
135 1HB LYS 18 HB2 LYS 18 -6.763 -4.537 2.078
136 2HB LYS 18 HB1 LYS 18 -6.353 -5.089 3.703
137 1HG LYS 18 HG2 LYS 18 -8.800 -4.335 4.281
138 2HG LYS 18 HG1 LYS 18 -9.055 -4.478 2.542
139 1HD LYS 18 HD2 LYS 18 -9.414 -6.678 2.926
140 2HD LYS 18 HD1 LYS 18 -7.669 -6.798 3.163
141 1HE LYS 18 HE2 LYS 18 -8.071 -7.425 5.304
142 2HE LYS 18 HE1 LYS 18 -8.743 -5.810 5.603
143 1HZ LYS 18 HZ1 LYS 18 -10.227 -8.093 4.410
144 2HZ LYS 18 HZ2 LYS 18 -10.859 -6.548 4.725
145 3HZ LYS 18 HZ3 LYS 18 -10.392 -7.556 6.010
146 H GLU 19 HN GLU 19 -4.922 -3.700 5.193
147 HA GLU 19 HA GLU 19 -6.518 -3.571 7.635
148 1HB GLU 19 HB2 GLU 19 -3.973 -4.562 6.684
149 2HB GLU 19 HB1 GLU 19 -3.752 -3.699 8.207
150 1HG GLU 19 HG2 GLU 19 -4.264 -6.100 8.577
151 2HG GLU 19 HG1 GLU 19 -5.508 -5.050 9.257
152 H ALA 20 HN ALA 20 -4.378 -1.383 5.919
153 HA ALA 20 HA ALA 20 -4.031 0.391 8.255
154 1HB ALA 20 HB1 ALA 20 -2.263 1.099 7.026
155 2HB ALA 20 HB2 ALA 20 -3.282 1.412 5.621
156 3HB ALA 20 HB3 ALA 20 -2.648 -0.209 5.907
157 H ILE 21 HN ILE 21 -6.127 0.097 5.468
158 HA ILE 21 HA ILE 21 -7.451 2.669 6.263
159 HB ILE 21 HB ILE 21 -6.640 1.575 3.569
160 1HG1 ILE 21 HG12 ILE 21 -6.436 4.438 4.373
161 2HG1 ILE 21 HG11 ILE 21 -5.373 3.299 5.200
162 1HG2 ILE 21 HG21 ILE 21 -8.574 2.338 2.694
163 2HG2 ILE 21 HG22 ILE 21 -8.039 3.960 3.135
164 3HG2 ILE 21 HG23 ILE 21 -9.065 3.040 4.236
165 1HD1 ILE 21 HD11 ILE 21 -4.034 3.186 3.397
166 2HD1 ILE 21 HD12 ILE 21 -5.033 4.410 2.613
167 3HD1 ILE 21 HD13 ILE 21 -5.396 2.699 2.386
168 H GLY 22 HN GLY 22 -7.780 -0.622 5.020
169 1HA GLY 22 HA2 GLY 22 -9.774 -1.892 5.785
170 2HA GLY 22 HA1 GLY 22 -10.718 -0.420 5.545
171 H LYS 23 HN LYS 23 -9.006 -0.009 2.994
172 HA LYS 23 HA LYS 23 -10.639 -1.855 1.284
173 1HB LYS 23 HB2 LYS 23 -10.436 0.947 1.425
174 2HB LYS 23 HB1 LYS 23 -9.550 0.495 -0.032
175 1HG LYS 23 HG2 LYS 23 -11.815 -1.119 -0.118
176 2HG LYS 23 HG1 LYS 23 -12.425 0.425 0.480
177 1HD LYS 23 HD2 LYS 23 -10.527 0.861 -1.660
178 2HD LYS 23 HD1 LYS 23 -11.805 -0.233 -2.189
179 1HE LYS 23 HE2 LYS 23 -13.305 1.612 -0.880
180 2HE LYS 23 HE1 LYS 23 -11.976 2.639 -1.452
181 1HZ LYS 23 HZ1 LYS 23 -12.241 1.461 -3.646
182 2HZ LYS 23 HZ2 LYS 23 -13.502 2.521 -3.230
183 3HZ LYS 23 HZ3 LYS 23 -13.707 0.843 -3.056
184 H ALA 24 HN ALA 24 -9.406 -3.402 0.304
185 HA ALA 24 HA ALA 24 -6.523 -3.347 0.251
186 1HB ALA 24 HB1 ALA 24 -7.234 -5.235 -1.564
187 2HB ALA 24 HB2 ALA 24 -8.773 -5.026 -0.729
188 3HB ALA 24 HB3 ALA 24 -7.336 -5.497 0.177
189 H ALA 25 HN ALA 25 -6.265 -1.167 -0.814
190 HA ALA 25 HA ALA 25 -6.101 -1.497 -3.763
191 1HB ALA 25 HB1 ALA 25 -7.321 0.624 -4.092
192 2HB ALA 25 HB2 ALA 25 -7.538 0.772 -2.348
193 3HB ALA 25 HB3 ALA 25 -8.327 -0.538 -3.226
194 H GLY 26 HN GLY 26 -4.132 -0.712 -4.408
195 1HA GLY 26 HA2 GLY 26 -2.944 1.706 -3.950
196 2HA GLY 26 HA1 GLY 26 -2.490 0.799 -2.507
197 H LYS 27 HN LYS 27 -0.312 1.373 -3.699
198 HA LYS 27 HA LYS 27 0.502 -1.090 -5.159
199 1HB LYS 27 HB2 LYS 27 0.790 1.776 -6.107
200 2HB LYS 27 HB1 LYS 27 1.653 0.422 -6.836
201 1HG LYS 27 HG2 LYS 27 -0.545 -0.691 -7.266
202 2HG LYS 27 HG1 LYS 27 -1.356 0.751 -6.657
203 1HD LYS 27 HD2 LYS 27 0.688 1.332 -8.687
204 2HD LYS 27 HD1 LYS 27 -0.638 0.336 -9.289
205 1HE LYS 27 HE2 LYS 27 -2.140 2.051 -9.147
206 2HE LYS 27 HE1 LYS 27 -1.488 2.610 -7.595
207 1HZ LYS 27 HZ1 LYS 27 0.406 3.538 -8.721
208 2HZ LYS 27 HZ2 LYS 27 -1.004 4.157 -9.436
209 3HZ LYS 27 HZ3 LYS 27 -0.122 2.932 -10.214
210 H CYS 28 HN CYS 28 3.093 -0.508 -5.698
211 HA CYS 28 HA CYS 28 4.257 0.524 -3.138
212 1HB CYS 28 HB2 CYS 28 4.189 -1.899 -3.043
213 2HB CYS 28 HB1 CYS 28 4.865 -2.025 -4.666
214 H MET 29 HN MET 29 5.411 2.313 -3.792
215 HA MET 29 HA MET 29 7.074 2.063 -6.281
216 1HB MET 29 HB2 MET 29 4.955 3.702 -5.903
217 2HB MET 29 HB1 MET 29 6.233 4.723 -5.244
218 1HG MET 29 HG2 MET 29 7.452 3.850 -7.502
219 2HG MET 29 HG1 MET 29 5.773 3.840 -8.039
220 1HE MET 29 HE1 MET 29 7.591 6.169 -9.647
221 2HE MET 29 HE2 MET 29 8.552 5.258 -8.484
222 3HE MET 29 HE3 MET 29 8.519 7.018 -8.403
223 H ASN 30 HN ASN 30 9.246 2.192 -5.858
224 HA ASN 30 HA ASN 30 11.270 2.811 -4.797
225 1HB ASN 30 HB2 ASN 30 9.389 4.939 -4.529
226 2HB ASN 30 HB1 ASN 30 10.250 4.800 -2.996
227 1HD2 ASN 30 HD21 ASN 30 12.547 5.250 -2.982
228 2HD2 ASN 30 HD22 ASN 30 13.343 5.922 -4.321
229 H GLY 31 HN GLY 31 8.982 1.059 -3.484
230 1HA GLY 31 HA2 GLY 31 9.220 -0.429 -1.629
231 2HA GLY 31 HA1 GLY 31 10.483 0.620 -0.981
232 H LYS 32 HN LYS 32 7.598 2.187 -2.028
233 HA LYS 32 HA LYS 32 6.823 2.576 0.842
234 1HB LYS 32 HB2 LYS 32 6.336 4.327 -1.590
235 2HB LYS 32 HB1 LYS 32 6.028 4.763 0.092
236 1HG LYS 32 HG2 LYS 32 8.739 3.843 -0.154
237 2HG LYS 32 HG1 LYS 32 8.442 5.090 -1.366
238 1HD LYS 32 HD2 LYS 32 7.613 6.615 0.345
239 2HD LYS 32 HD1 LYS 32 7.767 5.363 1.577
240 1HE LYS 32 HE2 LYS 32 9.762 6.568 1.875
241 2HE LYS 32 HE1 LYS 32 10.287 5.298 0.751
242 1HZ LYS 32 HZ1 LYS 32 9.275 7.045 -0.958
243 2HZ LYS 32 HZ2 LYS 32 10.905 7.077 -0.482
244 3HZ LYS 32 HZ3 LYS 32 9.784 8.126 0.246
245 H CYS 33 HN CYS 33 4.624 2.320 1.390
246 HA CYS 33 HA CYS 33 2.989 0.822 -0.582
247 1HB CYS 33 HB2 CYS 33 3.525 0.581 2.100
248 2HB CYS 33 HB1 CYS 33 1.963 1.390 2.124
249 H LYS 34 HN LYS 34 1.690 2.076 -1.876
250 HA LYS 34 HA LYS 34 0.513 4.574 -0.723
251 1HB LYS 34 HB2 LYS 34 0.733 3.751 -3.627
252 2HB LYS 34 HB1 LYS 34 0.482 5.375 -2.983
253 1HG LYS 34 HG2 LYS 34 2.792 4.802 -1.741
254 2HG LYS 34 HG1 LYS 34 2.990 3.771 -3.158
255 1HD LYS 34 HD2 LYS 34 2.281 6.717 -3.281
256 2HD LYS 34 HD1 LYS 34 3.912 6.079 -3.486
257 1HE LYS 34 HE2 LYS 34 3.491 5.502 -5.639
258 2HE LYS 34 HE1 LYS 34 1.987 4.678 -5.184
259 1HZ LYS 34 HZ1 LYS 34 0.762 6.530 -5.498
260 2HZ LYS 34 HZ2 LYS 34 2.033 6.974 -6.534
261 3HZ LYS 34 HZ3 LYS 34 1.980 7.572 -4.944
262 H CYS 35 HN CYS 35 -1.586 4.267 -0.080
263 HA CYS 35 HA CYS 35 -3.255 2.272 -1.576
264 1HB CYS 35 HB2 CYS 35 -3.711 3.465 1.170
265 2HB CYS 35 HB1 CYS 35 -4.447 2.012 0.497
266 H TYR 36 HN TYR 36 -5.278 2.933 -2.378
267 HA TYR 36 HA TYR 36 -5.691 5.865 -2.586
268 1HB TYR 36 HB2 TYR 36 -6.816 3.392 -3.920
269 2HB TYR 36 HB1 TYR 36 -7.470 5.002 -4.231
270 HD1 TYR 36 HD1 TYR 36 -6.516 6.307 -5.920
271 HD2 TYR 36 HD2 TYR 36 -4.194 3.182 -4.109
272 HE1 TYR 36 HE1 TYR 36 -4.675 6.747 -7.524
273 HE2 TYR 36 HE2 TYR 36 -2.353 3.620 -5.710
274 HH TYR 36 HH TYR 36 -2.008 6.323 -7.417
275 HA PRO 37 HA PRO 37 -8.852 6.021 0.475
276 1HB PRO 37 HB2 PRO 37 -10.487 7.811 -1.075
277 2HB PRO 37 HB1 PRO 37 -9.391 8.212 0.251
278 1HG PRO 37 HG2 PRO 37 -9.039 8.752 -2.546
279 2HG PRO 37 HG1 PRO 37 -7.949 9.154 -1.216
280 1HD PRO 37 HD2 PRO 37 -7.589 7.140 -3.251
281 2HD PRO 37 HD1 PRO 37 -6.496 7.537 -1.903
Start of MODEL 26
1 1H VAL 1 HT1 VAL 1 -3.255 9.181 0.766
2 2H VAL 1 HT2 VAL 1 -1.713 9.551 0.157
3 3H VAL 1 HT3 VAL 1 -2.585 10.717 1.034
4 HA VAL 1 HA VAL 1 -1.137 9.981 2.646
5 HB VAL 1 HB VAL 1 -3.763 9.575 2.892
6 1HG1 VAL 1 HG11 VAL 1 -3.626 7.265 1.942
7 2HG1 VAL 1 HG12 VAL 1 -4.291 7.295 3.575
8 3HG1 VAL 1 HG13 VAL 1 -2.620 6.795 3.313
9 1HG2 VAL 1 HG21 VAL 1 -1.621 8.602 4.804
10 2HG2 VAL 1 HG22 VAL 1 -3.311 8.829 5.256
11 3HG2 VAL 1 HG23 VAL 1 -2.341 10.212 4.744
12 H PHE 2 HN PHE 2 0.715 8.770 2.708
13 HA PHE 2 HA PHE 2 0.629 5.993 1.564
14 1HB PHE 2 HB2 PHE 2 2.801 8.116 1.530
15 2HB PHE 2 HB1 PHE 2 2.991 6.483 0.892
16 HD1 PHE 2 HD1 PHE 2 2.584 6.143 -1.371
17 HD2 PHE 2 HD2 PHE 2 0.603 9.379 0.646
18 HE1 PHE 2 HE1 PHE 2 1.559 6.852 -3.513
19 HE2 PHE 2 HE2 PHE 2 -0.425 10.083 -1.494
20 HZ PHE 2 HZ PHE 2 0.054 8.823 -3.575
21 H ILE 3 HN ILE 3 2.060 4.451 2.627
22 HA ILE 3 HA ILE 3 2.719 5.236 5.446
23 HB ILE 3 HB ILE 3 2.540 2.691 5.755
24 1HG1 ILE 3 HG12 ILE 3 1.160 2.892 3.064
25 2HG1 ILE 3 HG11 ILE 3 2.783 2.237 3.279
26 1HG2 ILE 3 HG21 ILE 3 0.349 4.610 5.128
27 2HG2 ILE 3 HG22 ILE 3 0.683 3.733 6.621
28 3HG2 ILE 3 HG23 ILE 3 -0.092 2.909 5.268
29 1HD1 ILE 3 HD11 ILE 3 1.295 0.916 5.217
30 2HD1 ILE 3 HD12 ILE 3 1.774 0.248 3.656
31 3HD1 ILE 3 HD13 ILE 3 0.192 1.003 3.844
32 H ASN 4 HN ASN 4 4.817 4.935 6.151
33 HA ASN 4 HA ASN 4 6.963 4.690 4.276
34 1HB ASN 4 HB2 ASN 4 8.293 4.511 6.419
35 2HB ASN 4 HB1 ASN 4 7.163 5.866 6.385
36 1HD2 ASN 4 HD21 ASN 4 5.772 6.000 8.153
37 2HD2 ASN 4 HD22 ASN 4 5.400 4.716 9.198
38 H ALA 5 HN ALA 5 4.950 2.265 5.550
39 HA ALA 5 HA ALA 5 6.459 0.061 6.196
40 1HB ALA 5 HB1 ALA 5 4.340 -0.149 4.068
41 2HB ALA 5 HB2 ALA 5 3.913 0.436 5.676
42 3HB ALA 5 HB3 ALA 5 4.598 -1.178 5.477
43 H LYS 6 HN LYS 6 8.366 -0.597 5.270
44 HA LYS 6 HA LYS 6 9.111 -0.049 2.531
45 1HB LYS 6 HB2 LYS 6 10.161 -1.372 4.945
46 2HB LYS 6 HB1 LYS 6 10.750 -2.071 3.437
47 1HG LYS 6 HG2 LYS 6 10.796 0.780 3.176
48 2HG LYS 6 HG1 LYS 6 11.590 0.350 4.692
49 1HD LYS 6 HD2 LYS 6 12.623 -1.548 3.032
50 2HD LYS 6 HD1 LYS 6 12.419 -0.206 1.905
51 1HE LYS 6 HE2 LYS 6 14.560 0.226 2.779
52 2HE LYS 6 HE1 LYS 6 13.538 1.200 3.856
53 1HZ LYS 6 HZ1 LYS 6 13.333 -0.875 5.248
54 2HZ LYS 6 HZ2 LYS 6 14.859 -0.129 5.265
55 3HZ LYS 6 HZ3 LYS 6 14.604 -1.526 4.332
56 H CYS 7 HN CYS 7 7.147 -1.023 1.465
57 HA CYS 7 HA CYS 7 6.710 -3.898 1.579
58 1HB CYS 7 HB2 CYS 7 5.195 -3.355 -0.349
59 2HB CYS 7 HB1 CYS 7 4.928 -2.314 1.049
60 H ARG 8 HN ARG 8 6.816 -5.164 -0.599
61 HA ARG 8 HA ARG 8 9.293 -4.412 -2.114
62 1HB ARG 8 HB2 ARG 8 8.478 -7.009 -0.799
63 2HB ARG 8 HB1 ARG 8 9.731 -6.945 -2.040
64 1HG ARG 8 HG2 ARG 8 10.548 -4.917 -0.428
65 2HG ARG 8 HG1 ARG 8 9.798 -5.984 0.761
66 1HD ARG 8 HD2 ARG 8 11.271 -7.766 0.277
67 2HD ARG 8 HD1 ARG 8 11.731 -7.072 -1.292
68 HE ARG 8 HE ARG 8 12.559 -5.960 1.358
69 1HH1 ARG 8 HH21 ARG 8 12.489 -3.860 -0.710
70 2HH1 ARG 8 HH22 ARG 8 14.068 -3.957 -1.418
71 1HH2 ARG 8 HH11 ARG 8 14.734 -7.112 -0.143
72 2HH2 ARG 8 HH12 ARG 8 15.340 -5.797 -1.095
73 H GLY 9 HN GLY 9 6.131 -5.976 -2.114
74 1HA GLY 9 HA2 GLY 9 6.362 -6.254 -5.084
75 2HA GLY 9 HA1 GLY 9 5.408 -7.355 -4.091
76 H SER 10 HN SER 10 4.697 -5.385 -6.323
77 HA SER 10 HA SER 10 3.169 -3.223 -5.276
78 1HB SER 10 HB2 SER 10 3.531 -4.706 -7.774
79 2HB SER 10 HB1 SER 10 1.898 -4.070 -7.596
80 HG SER 10 HG SER 10 2.714 -2.203 -8.071
81 HA PRO 11 HA PRO 11 -0.645 -6.237 -5.499
82 1HB PRO 11 HB2 PRO 11 0.386 -8.912 -5.265
83 2HB PRO 11 HB1 PRO 11 -0.521 -8.208 -6.608
84 1HG PRO 11 HG2 PRO 11 2.260 -8.901 -6.538
85 2HG PRO 11 HG1 PRO 11 1.354 -8.184 -7.873
86 1HD PRO 11 HD2 PRO 11 3.327 -6.925 -6.189
87 2HD PRO 11 HD1 PRO 11 2.424 -6.204 -7.542
88 H GLU 12 HN GLU 12 2.249 -7.274 -3.701
89 HA GLU 12 HA GLU 12 0.938 -8.336 -1.395
90 1HB GLU 12 HB2 GLU 12 3.617 -7.209 -2.116
91 2HB GLU 12 HB1 GLU 12 3.263 -7.469 -0.407
92 1HG GLU 12 HG2 GLU 12 2.397 -9.820 -1.310
93 2HG GLU 12 HG1 GLU 12 3.536 -9.469 -2.611
94 H CYS 13 HN CYS 13 1.568 -5.034 -2.414
95 HA CYS 13 HA CYS 13 1.255 -3.758 0.152
96 1HB CYS 13 HB2 CYS 13 1.771 -3.091 -2.554
97 2HB CYS 13 HB1 CYS 13 0.354 -2.156 -2.079
98 H LEU 14 HN LEU 14 -1.044 -4.651 -2.429
99 HA LEU 14 HA LEU 14 -3.363 -3.340 -1.662
100 1HB LEU 14 HB2 LEU 14 -2.592 -5.716 -3.093
101 2HB LEU 14 HB1 LEU 14 -4.053 -6.050 -2.165
102 HG LEU 14 HG LEU 14 -5.058 -3.950 -3.105
103 1HD1 LEU 14 HD11 LEU 14 -3.363 -3.747 -5.414
104 2HD1 LEU 14 HD12 LEU 14 -2.372 -3.561 -3.967
105 3HD1 LEU 14 HD13 LEU 14 -3.756 -2.500 -4.230
106 1HD2 LEU 14 HD21 LEU 14 -5.186 -4.925 -5.512
107 2HD2 LEU 14 HD22 LEU 14 -5.764 -5.931 -4.183
108 3HD2 LEU 14 HD23 LEU 14 -4.172 -6.222 -4.882
109 HA PRO 15 HA PRO 15 -4.312 -6.786 1.649
110 1HB PRO 15 HB2 PRO 15 -1.777 -7.973 2.325
111 2HB PRO 15 HB1 PRO 15 -3.200 -8.765 1.641
112 1HG PRO 15 HG2 PRO 15 -0.710 -8.127 0.329
113 2HG PRO 15 HG1 PRO 15 -2.101 -8.996 -0.324
114 1HD PRO 15 HD2 PRO 15 -1.233 -6.367 -1.019
115 2HD PRO 15 HD1 PRO 15 -2.719 -7.185 -1.554
116 H LYS 16 HN LYS 16 -0.875 -5.740 1.916
117 HA LYS 16 HA LYS 16 -0.894 -4.967 4.628
118 1HB LYS 16 HB2 LYS 16 0.565 -4.148 2.136
119 2HB LYS 16 HB1 LYS 16 0.832 -3.215 3.610
120 1HG LYS 16 HG2 LYS 16 1.057 -6.233 3.503
121 2HG LYS 16 HG1 LYS 16 2.434 -5.155 3.269
122 1HD LYS 16 HD2 LYS 16 0.642 -5.069 5.710
123 2HD LYS 16 HD1 LYS 16 2.154 -5.976 5.642
124 1HE LYS 16 HE2 LYS 16 3.401 -3.906 5.162
125 2HE LYS 16 HE1 LYS 16 1.887 -2.981 5.193
126 1HZ LYS 16 HZ1 LYS 16 2.998 -4.606 7.420
127 2HZ LYS 16 HZ2 LYS 16 1.489 -3.827 7.445
128 3HZ LYS 16 HZ3 LYS 16 2.918 -2.913 7.363
129 H CYS 17 HN CYS 17 -1.938 -3.161 1.742
130 HA CYS 17 HA CYS 17 -2.515 -0.680 3.104
131 1HB CYS 17 HB2 CYS 17 -2.176 -1.067 0.631
132 2HB CYS 17 HB1 CYS 17 -3.752 -1.859 0.593
133 H LYS 18 HN LYS 18 -4.495 -3.513 2.210
134 HA LYS 18 HA LYS 18 -7.032 -2.611 3.066
135 1HB LYS 18 HB2 LYS 18 -6.771 -4.662 1.853
136 2HB LYS 18 HB1 LYS 18 -5.650 -5.306 3.051
137 1HG LYS 18 HG2 LYS 18 -7.363 -6.190 4.205
138 2HG LYS 18 HG1 LYS 18 -8.089 -4.592 4.377
139 1HD LYS 18 HD2 LYS 18 -9.035 -4.865 2.053
140 2HD LYS 18 HD1 LYS 18 -8.470 -6.536 2.084
141 1HE LYS 18 HE2 LYS 18 -10.544 -6.952 2.976
142 2HE LYS 18 HE1 LYS 18 -9.804 -6.374 4.483
143 1HZ LYS 18 HZ1 LYS 18 -11.544 -4.947 2.600
144 2HZ LYS 18 HZ2 LYS 18 -10.345 -4.059 3.413
145 3HZ LYS 18 HZ3 LYS 18 -11.528 -4.902 4.295
146 H GLU 19 HN GLU 19 -4.229 -3.584 4.921
147 HA GLU 19 HA GLU 19 -5.792 -3.720 7.448
148 1HB GLU 19 HB2 GLU 19 -3.884 -5.299 6.609
149 2HB GLU 19 HB1 GLU 19 -2.807 -4.001 7.124
150 1HG GLU 19 HG2 GLU 19 -2.911 -5.079 9.135
151 2HG GLU 19 HG1 GLU 19 -4.415 -4.172 9.302
152 H ALA 20 HN ALA 20 -3.733 -1.577 5.643
153 HA ALA 20 HA ALA 20 -3.050 0.119 7.953
154 1HB ALA 20 HB1 ALA 20 -1.550 -0.330 5.999
155 2HB ALA 20 HB2 ALA 20 -1.853 1.391 6.237
156 3HB ALA 20 HB3 ALA 20 -2.701 0.514 4.963
157 H ILE 21 HN ILE 21 -5.130 0.334 5.049
158 HA ILE 21 HA ILE 21 -6.439 2.736 6.278
159 HB ILE 21 HB ILE 21 -5.209 2.896 4.050
160 1HG1 ILE 21 HG12 ILE 21 -8.191 3.463 4.098
161 2HG1 ILE 21 HG11 ILE 21 -6.923 4.533 4.696
162 1HG2 ILE 21 HG21 ILE 21 -5.902 0.676 3.200
163 2HG2 ILE 21 HG22 ILE 21 -6.365 1.964 2.089
164 3HG2 ILE 21 HG23 ILE 21 -7.575 1.228 3.141
165 1HD1 ILE 21 HD11 ILE 21 -6.107 3.932 2.102
166 2HD1 ILE 21 HD12 ILE 21 -6.877 5.431 2.623
167 3HD1 ILE 21 HD13 ILE 21 -7.855 4.122 1.958
168 H GLY 22 HN GLY 22 -6.980 -0.412 4.748
169 1HA GLY 22 HA2 GLY 22 -8.829 -1.856 5.224
170 2HA GLY 22 HA1 GLY 22 -9.668 -0.496 5.967
171 H LYS 23 HN LYS 23 -8.181 -0.629 2.737
172 HA LYS 23 HA LYS 23 -10.915 -0.474 1.535
173 1HB LYS 23 HB2 LYS 23 -8.751 1.537 1.642
174 2HB LYS 23 HB1 LYS 23 -9.466 1.306 0.045
175 1HG LYS 23 HG2 LYS 23 -10.970 2.841 0.864
176 2HG LYS 23 HG1 LYS 23 -11.726 1.378 1.495
177 1HD LYS 23 HD2 LYS 23 -10.804 1.702 3.660
178 2HD LYS 23 HD1 LYS 23 -9.647 2.897 3.074
179 1HE LYS 23 HE2 LYS 23 -11.491 4.038 4.238
180 2HE LYS 23 HE1 LYS 23 -11.574 4.410 2.505
181 1HZ LYS 23 HZ1 LYS 23 -12.920 2.001 3.510
182 2HZ LYS 23 HZ2 LYS 23 -13.314 2.979 2.176
183 3HZ LYS 23 HZ3 LYS 23 -13.668 3.503 3.753
184 H ALA 24 HN ALA 24 -8.064 -2.103 1.600
185 HA ALA 24 HA ALA 24 -6.825 -3.359 0.006
186 1HB ALA 24 HB1 ALA 24 -9.770 -3.636 -0.483
187 2HB ALA 24 HB2 ALA 24 -8.631 -4.825 0.149
188 3HB ALA 24 HB3 ALA 24 -8.654 -4.455 -1.575
189 H ALA 25 HN ALA 25 -6.713 -0.628 -0.689
190 HA ALA 25 HA ALA 25 -6.643 -0.841 -3.664
191 1HB ALA 25 HB1 ALA 25 -7.974 1.330 -2.011
192 2HB ALA 25 HB2 ALA 25 -8.779 0.188 -3.087
193 3HB ALA 25 HB3 ALA 25 -7.718 1.428 -3.753
194 H GLY 26 HN GLY 26 -4.291 -0.933 -3.309
195 1HA GLY 26 HA2 GLY 26 -3.092 1.722 -3.227
196 2HA GLY 26 HA1 GLY 26 -2.676 0.742 -1.821
197 H LYS 27 HN LYS 27 -0.549 1.388 -3.255
198 HA LYS 27 HA LYS 27 0.158 -1.147 -4.666
199 1HB LYS 27 HB2 LYS 27 0.923 1.580 -5.727
200 2HB LYS 27 HB1 LYS 27 0.933 0.035 -6.578
201 1HG LYS 27 HG2 LYS 27 -1.640 0.039 -6.092
202 2HG LYS 27 HG1 LYS 27 -1.414 1.771 -5.848
203 1HD LYS 27 HD2 LYS 27 -0.645 0.218 -8.339
204 2HD LYS 27 HD1 LYS 27 -2.025 1.306 -8.185
205 1HE LYS 27 HE2 LYS 27 -0.413 2.722 -9.145
206 2HE LYS 27 HE1 LYS 27 -0.176 3.045 -7.415
207 1HZ LYS 27 HZ1 LYS 27 1.753 1.920 -7.375
208 2HZ LYS 27 HZ2 LYS 27 1.768 2.189 -9.053
209 3HZ LYS 27 HZ3 LYS 27 1.205 0.711 -8.432
210 H CYS 28 HN CYS 28 2.675 -1.072 -5.082
211 HA CYS 28 HA CYS 28 3.968 0.125 -2.652
212 1HB CYS 28 HB2 CYS 28 3.836 -2.307 -2.585
213 2HB CYS 28 HB1 CYS 28 4.493 -2.425 -4.215
214 H MET 29 HN MET 29 5.336 1.772 -3.213
215 HA MET 29 HA MET 29 7.132 1.428 -5.552
216 1HB MET 29 HB2 MET 29 4.721 2.740 -5.781
217 2HB MET 29 HB1 MET 29 5.824 4.067 -5.416
218 1HG MET 29 HG2 MET 29 7.308 3.335 -7.253
219 2HG MET 29 HG1 MET 29 6.192 2.020 -7.626
220 1HE MET 29 HE1 MET 29 6.972 5.268 -9.556
221 2HE MET 29 HE2 MET 29 7.386 5.238 -7.844
222 3HE MET 29 HE3 MET 29 6.172 6.372 -8.430
223 H ASN 30 HN ASN 30 9.013 2.766 -5.397
224 HA ASN 30 HA ASN 30 10.695 3.960 -4.243
225 1HB ASN 30 HB2 ASN 30 8.226 5.341 -4.148
226 2HB ASN 30 HB1 ASN 30 8.930 5.488 -2.537
227 1HD2 ASN 30 HD21 ASN 30 9.588 7.716 -2.778
228 2HD2 ASN 30 HD22 ASN 30 10.808 8.188 -3.861
229 H GLY 31 HN GLY 31 9.168 1.532 -2.953
230 1HA GLY 31 HA2 GLY 31 9.726 0.256 -1.035
231 2HA GLY 31 HA1 GLY 31 10.673 1.622 -0.442
232 H LYS 32 HN LYS 32 7.440 2.289 -1.459
233 HA LYS 32 HA LYS 32 6.469 2.190 1.372
234 1HB LYS 32 HB2 LYS 32 6.953 4.485 -0.431
235 2HB LYS 32 HB1 LYS 32 5.391 4.510 0.386
236 1HG LYS 32 HG2 LYS 32 6.327 4.930 2.404
237 2HG LYS 32 HG1 LYS 32 7.608 3.744 2.149
238 1HD LYS 32 HD2 LYS 32 7.915 6.033 0.379
239 2HD LYS 32 HD1 LYS 32 7.891 6.526 2.073
240 1HE LYS 32 HE2 LYS 32 9.592 4.668 2.511
241 2HE LYS 32 HE1 LYS 32 9.763 4.546 0.747
242 1HZ LYS 32 HZ1 LYS 32 9.809 7.210 1.963
243 2HZ LYS 32 HZ2 LYS 32 10.615 6.638 0.580
244 3HZ LYS 32 HZ3 LYS 32 11.196 6.248 2.128
245 H CYS 33 HN CYS 33 4.005 2.543 1.400
246 HA CYS 33 HA CYS 33 2.805 1.142 -0.961
247 1HB CYS 33 HB2 CYS 33 2.806 0.397 1.602
248 2HB CYS 33 HB1 CYS 33 1.419 1.482 1.664
249 H LYS 34 HN LYS 34 1.503 2.349 -2.255
250 HA LYS 34 HA LYS 34 0.614 5.033 -1.336
251 1HB LYS 34 HB2 LYS 34 0.214 3.741 -4.041
252 2HB LYS 34 HB1 LYS 34 0.330 5.459 -3.664
253 1HG LYS 34 HG2 LYS 34 2.677 5.286 -3.195
254 2HG LYS 34 HG1 LYS 34 2.619 3.524 -3.228
255 1HD LYS 34 HD2 LYS 34 3.075 3.572 -5.427
256 2HD LYS 34 HD1 LYS 34 1.551 4.418 -5.699
257 1HE LYS 34 HE2 LYS 34 3.153 6.453 -4.753
258 2HE LYS 34 HE1 LYS 34 4.297 5.483 -5.702
259 1HZ LYS 34 HZ1 LYS 34 1.802 6.781 -6.570
260 2HZ LYS 34 HZ2 LYS 34 2.320 5.369 -7.361
261 3HZ LYS 34 HZ3 LYS 34 3.315 6.746 -7.338
262 H CYS 35 HN CYS 35 -1.243 4.710 -0.050
263 HA CYS 35 HA CYS 35 -3.384 2.928 -1.116
264 1HB CYS 35 HB2 CYS 35 -2.750 4.204 1.552
265 2HB CYS 35 HB1 CYS 35 -4.293 3.405 1.248
266 H TYR 36 HN TYR 36 -5.403 3.762 -1.686
267 HA TYR 36 HA TYR 36 -5.921 6.674 -1.274
268 1HB TYR 36 HB2 TYR 36 -5.345 5.193 -3.772
269 2HB TYR 36 HB1 TYR 36 -6.751 6.253 -3.856
270 HD1 TYR 36 HD1 TYR 36 -5.919 8.411 -1.964
271 HD2 TYR 36 HD2 TYR 36 -3.710 6.358 -5.022
272 HE1 TYR 36 HE1 TYR 36 -4.427 10.377 -2.206
273 HE2 TYR 36 HE2 TYR 36 -2.216 8.323 -5.262
274 HH TYR 36 HH TYR 36 -2.168 10.658 -4.814
275 HA PRO 37 HA PRO 37 -10.125 5.527 -0.617
276 1HB PRO 37 HB2 PRO 37 -11.280 7.231 -2.627
277 2HB PRO 37 HB1 PRO 37 -11.161 7.524 -0.889
278 1HG PRO 37 HG2 PRO 37 -9.686 8.800 -2.999
279 2HG PRO 37 HG1 PRO 37 -9.580 9.100 -1.262
280 1HD PRO 37 HD2 PRO 37 -7.638 7.797 -2.939
281 2HD PRO 37 HD1 PRO 37 -7.556 8.060 -1.179
Start of MODEL 27
1 1H VAL 1 HT1 VAL 1 -2.182 9.893 0.765
2 2H VAL 1 HT2 VAL 1 -0.877 10.344 1.755
3 3H VAL 1 HT3 VAL 1 -2.455 10.830 2.152
4 HA VAL 1 HA VAL 1 -1.987 9.044 3.603
5 HB VAL 1 HB VAL 1 -3.598 8.327 1.140
6 1HG1 VAL 1 HG11 VAL 1 -4.694 6.786 3.052
7 2HG1 VAL 1 HG12 VAL 1 -3.022 6.772 3.616
8 3HG1 VAL 1 HG13 VAL 1 -3.411 6.199 1.995
9 1HG2 VAL 1 HG21 VAL 1 -4.800 8.877 3.805
10 2HG2 VAL 1 HG22 VAL 1 -5.360 9.349 2.201
11 3HG2 VAL 1 HG23 VAL 1 -4.060 10.249 2.983
12 H PHE 2 HN PHE 2 0.490 8.956 2.690
13 HA PHE 2 HA PHE 2 0.898 6.313 1.338
14 1HB PHE 2 HB2 PHE 2 2.449 8.885 1.595
15 2HB PHE 2 HB1 PHE 2 3.281 7.395 1.159
16 HD1 PHE 2 HD1 PHE 2 3.733 8.922 -0.949
17 HD2 PHE 2 HD2 PHE 2 -0.095 7.254 0.065
18 HE1 PHE 2 HE1 PHE 2 2.990 9.195 -3.299
19 HE2 PHE 2 HE2 PHE 2 -0.836 7.527 -2.285
20 HZ PHE 2 HZ PHE 2 0.706 8.499 -3.967
21 H ILE 3 HN ILE 3 2.253 4.761 2.358
22 HA ILE 3 HA ILE 3 2.953 5.374 5.212
23 HB ILE 3 HB ILE 3 2.558 2.599 4.135
24 1HG1 ILE 3 HG12 ILE 3 0.306 4.459 4.975
25 2HG1 ILE 3 HG11 ILE 3 0.603 3.912 3.325
26 1HG2 ILE 3 HG21 ILE 3 2.269 4.036 6.765
27 2HG2 ILE 3 HG22 ILE 3 3.248 2.619 6.381
28 3HG2 ILE 3 HG23 ILE 3 1.495 2.473 6.505
29 1HD1 ILE 3 HD11 ILE 3 0.603 1.547 4.763
30 2HD1 ILE 3 HD12 ILE 3 -0.754 2.171 3.825
31 3HD1 ILE 3 HD13 ILE 3 -0.658 2.491 5.557
32 H ASN 4 HN ASN 4 4.863 4.125 6.011
33 HA ASN 4 HA ASN 4 6.889 3.728 3.834
34 1HB ASN 4 HB2 ASN 4 8.506 4.456 5.587
35 2HB ASN 4 HB1 ASN 4 7.275 5.681 5.279
36 1HD2 ASN 4 HD21 ASN 4 5.628 6.028 6.935
37 2HD2 ASN 4 HD22 ASN 4 5.808 5.408 8.504
38 H ALA 5 HN ALA 5 5.252 1.559 4.520
39 HA ALA 5 HA ALA 5 6.555 -0.068 6.589
40 1HB ALA 5 HB1 ALA 5 4.890 -1.693 5.091
41 2HB ALA 5 HB2 ALA 5 4.179 -0.096 4.856
42 3HB ALA 5 HB3 ALA 5 4.383 -0.739 6.486
43 H LYS 6 HN LYS 6 7.778 0.862 3.781
44 HA LYS 6 HA LYS 6 9.263 -0.087 2.201
45 1HB LYS 6 HB2 LYS 6 9.858 -0.857 4.799
46 2HB LYS 6 HB1 LYS 6 9.865 -2.382 3.914
47 1HG LYS 6 HG2 LYS 6 12.101 -1.401 3.843
48 2HG LYS 6 HG1 LYS 6 11.391 -1.361 2.228
49 1HD LYS 6 HD2 LYS 6 10.605 1.005 2.775
50 2HD LYS 6 HD1 LYS 6 11.652 0.923 4.190
51 1HE LYS 6 HE2 LYS 6 13.337 0.043 2.188
52 2HE LYS 6 HE1 LYS 6 12.379 1.289 1.363
53 1HZ LYS 6 HZ1 LYS 6 12.839 2.833 3.104
54 2HZ LYS 6 HZ2 LYS 6 14.325 2.183 2.597
55 3HZ LYS 6 HZ3 LYS 6 13.610 1.648 4.042
56 H CYS 7 HN CYS 7 7.019 -0.702 1.158
57 HA CYS 7 HA CYS 7 5.954 -3.311 1.260
58 1HB CYS 7 HB2 CYS 7 5.152 -2.735 -1.052
59 2HB CYS 7 HB1 CYS 7 4.891 -1.438 0.114
60 H ARG 8 HN ARG 8 6.161 -4.858 -0.783
61 HA ARG 8 HA ARG 8 9.077 -5.408 -1.102
62 1HB ARG 8 HB2 ARG 8 6.561 -6.950 -0.891
63 2HB ARG 8 HB1 ARG 8 7.736 -7.597 -2.039
64 1HG ARG 8 HG2 ARG 8 9.349 -6.970 0.082
65 2HG ARG 8 HG1 ARG 8 7.867 -7.457 0.905
66 1HD ARG 8 HD2 ARG 8 8.960 -9.520 0.645
67 2HD ARG 8 HD1 ARG 8 7.952 -9.477 -0.815
68 HE ARG 8 HE ARG 8 9.907 -9.087 -2.106
69 1HH1 ARG 8 HH11 ARG 8 10.757 -9.920 1.011
70 2HH1 ARG 8 HH12 ARG 8 12.336 -9.207 0.973
71 1HH2 ARG 8 HH21 ARG 8 11.826 -7.608 -2.064
72 2HH2 ARG 8 HH22 ARG 8 12.939 -7.896 -0.768
73 H GLY 9 HN GLY 9 6.072 -5.116 -3.023
74 1HA GLY 9 HA2 GLY 9 7.576 -4.125 -5.302
75 2HA GLY 9 HA1 GLY 9 7.009 -5.775 -5.555
76 H SER 10 HN SER 10 4.522 -5.609 -4.206
77 HA SER 10 HA SER 10 2.877 -3.405 -4.813
78 1HB SER 10 HB2 SER 10 3.844 -4.894 -7.116
79 2HB SER 10 HB1 SER 10 2.084 -4.893 -7.056
80 HG SER 10 HG SER 10 2.658 -3.036 -8.083
81 HA PRO 11 HA PRO 11 0.097 -7.404 -4.868
82 1HB PRO 11 HB2 PRO 11 1.836 -9.619 -4.274
83 2HB PRO 11 HB1 PRO 11 0.856 -9.360 -5.720
84 1HG PRO 11 HG2 PRO 11 3.714 -9.165 -5.460
85 2HG PRO 11 HG1 PRO 11 2.735 -8.944 -6.912
86 1HD PRO 11 HD2 PRO 11 4.124 -6.930 -5.420
87 2HD PRO 11 HD1 PRO 11 3.069 -6.695 -6.833
88 H GLU 12 HN GLU 12 2.735 -6.606 -2.812
89 HA GLU 12 HA GLU 12 1.540 -7.957 -0.450
90 1HB GLU 12 HB2 GLU 12 4.138 -6.771 -1.265
91 2HB GLU 12 HB1 GLU 12 3.729 -6.624 0.445
92 1HG GLU 12 HG2 GLU 12 4.767 -8.701 0.441
93 2HG GLU 12 HG1 GLU 12 3.090 -9.182 0.180
94 H CYS 13 HN CYS 13 1.754 -4.815 -1.947
95 HA CYS 13 HA CYS 13 1.208 -3.247 0.441
96 1HB CYS 13 HB2 CYS 13 1.759 -2.904 -2.369
97 2HB CYS 13 HB1 CYS 13 0.383 -1.899 -1.911
98 H LEU 14 HN LEU 14 -0.814 -4.292 -2.337
99 HA LEU 14 HA LEU 14 -3.260 -3.176 -1.737
100 1HB LEU 14 HB2 LEU 14 -2.222 -5.443 -3.153
101 2HB LEU 14 HB1 LEU 14 -3.707 -5.926 -2.337
102 HG LEU 14 HG LEU 14 -4.046 -3.303 -3.485
103 1HD1 LEU 14 HD11 LEU 14 -2.404 -3.818 -5.138
104 2HD1 LEU 14 HD12 LEU 14 -3.959 -4.154 -5.900
105 3HD1 LEU 14 HD13 LEU 14 -2.972 -5.481 -5.288
106 1HD2 LEU 14 HD21 LEU 14 -5.895 -4.775 -2.927
107 2HD2 LEU 14 HD22 LEU 14 -5.272 -6.032 -3.995
108 3HD2 LEU 14 HD23 LEU 14 -5.900 -4.530 -4.674
109 HA PRO 15 HA PRO 15 -4.234 -6.715 1.440
110 1HB PRO 15 HB2 PRO 15 -1.711 -7.725 2.382
111 2HB PRO 15 HB1 PRO 15 -2.979 -8.603 1.524
112 1HG PRO 15 HG2 PRO 15 -0.412 -7.810 0.527
113 2HG PRO 15 HG1 PRO 15 -1.689 -8.674 -0.333
114 1HD PRO 15 HD2 PRO 15 -0.838 -5.941 -0.699
115 2HD PRO 15 HD1 PRO 15 -2.112 -6.818 -1.580
116 H LYS 16 HN LYS 16 -0.931 -5.468 2.129
117 HA LYS 16 HA LYS 16 -1.288 -4.752 4.822
118 1HB LYS 16 HB2 LYS 16 0.267 -3.454 2.560
119 2HB LYS 16 HB1 LYS 16 0.498 -3.038 4.260
120 1HG LYS 16 HG2 LYS 16 0.933 -5.744 2.969
121 2HG LYS 16 HG1 LYS 16 2.158 -4.696 3.684
122 1HD LYS 16 HD2 LYS 16 0.489 -4.927 5.794
123 2HD LYS 16 HD1 LYS 16 0.183 -6.477 5.008
124 1HE LYS 16 HE2 LYS 16 2.028 -7.088 6.269
125 2HE LYS 16 HE1 LYS 16 2.885 -6.440 4.856
126 1HZ LYS 16 HZ1 LYS 16 3.403 -4.525 5.919
127 2HZ LYS 16 HZ2 LYS 16 3.285 -5.508 7.299
128 3HZ LYS 16 HZ3 LYS 16 1.983 -4.513 6.847
129 H CYS 17 HN CYS 17 -2.214 -2.983 1.885
130 HA CYS 17 HA CYS 17 -3.056 -0.556 3.197
131 1HB CYS 17 HB2 CYS 17 -2.506 -0.987 0.744
132 2HB CYS 17 HB1 CYS 17 -4.080 -1.773 0.614
133 H LYS 18 HN LYS 18 -4.703 -3.581 2.326
134 HA LYS 18 HA LYS 18 -7.383 -2.805 2.931
135 1HB LYS 18 HB2 LYS 18 -6.166 -4.962 1.893
136 2HB LYS 18 HB1 LYS 18 -6.379 -5.554 3.541
137 1HG LYS 18 HG2 LYS 18 -8.812 -4.923 3.375
138 2HG LYS 18 HG1 LYS 18 -8.545 -4.561 1.669
139 1HD LYS 18 HD2 LYS 18 -7.813 -6.863 1.265
140 2HD LYS 18 HD1 LYS 18 -7.993 -7.241 2.977
141 1HE LYS 18 HE2 LYS 18 -10.447 -6.071 2.024
142 2HE LYS 18 HE1 LYS 18 -9.991 -7.425 0.970
143 1HZ LYS 18 HZ1 LYS 18 -10.184 -7.451 3.935
144 2HZ LYS 18 HZ2 LYS 18 -9.503 -8.711 3.021
145 3HZ LYS 18 HZ3 LYS 18 -11.147 -8.321 2.843
146 H GLU 19 HN GLU 19 -4.671 -3.721 4.974
147 HA GLU 19 HA GLU 19 -6.409 -3.927 7.376
148 1HB GLU 19 HB2 GLU 19 -3.395 -4.124 7.227
149 2HB GLU 19 HB1 GLU 19 -4.482 -4.888 8.386
150 1HG GLU 19 HG2 GLU 19 -5.461 -6.208 6.465
151 2HG GLU 19 HG1 GLU 19 -4.172 -5.564 5.448
152 H ALA 20 HN ALA 20 -4.189 -1.715 5.816
153 HA ALA 20 HA ALA 20 -3.631 -0.065 8.137
154 1HB ALA 20 HB1 ALA 20 -2.759 1.466 6.384
155 2HB ALA 20 HB2 ALA 20 -3.521 0.464 5.148
156 3HB ALA 20 HB3 ALA 20 -2.208 -0.190 6.129
157 H ILE 21 HN ILE 21 -5.869 0.281 5.354
158 HA ILE 21 HA ILE 21 -7.334 2.372 6.930
159 HB ILE 21 HB ILE 21 -7.914 3.315 4.770
160 1HG1 ILE 21 HG12 ILE 21 -6.615 0.808 3.659
161 2HG1 ILE 21 HG11 ILE 21 -8.312 1.264 3.524
162 1HG2 ILE 21 HG21 ILE 21 -5.392 3.270 5.785
163 2HG2 ILE 21 HG22 ILE 21 -5.846 4.193 4.353
164 3HG2 ILE 21 HG23 ILE 21 -5.097 2.606 4.178
165 1HD1 ILE 21 HD11 ILE 21 -7.499 3.385 2.342
166 2HD1 ILE 21 HD12 ILE 21 -7.325 1.878 1.442
167 3HD1 ILE 21 HD13 ILE 21 -5.924 2.598 2.236
168 H GLY 22 HN GLY 22 -7.620 -0.621 5.087
169 1HA GLY 22 HA2 GLY 22 -9.434 -2.177 5.736
170 2HA GLY 22 HA1 GLY 22 -10.474 -0.772 5.962
171 H LYS 23 HN LYS 23 -8.416 -0.590 3.227
172 HA LYS 23 HA LYS 23 -10.559 -1.644 1.428
173 1HB LYS 23 HB2 LYS 23 -10.794 0.825 1.875
174 2HB LYS 23 HB1 LYS 23 -9.194 1.053 1.169
175 1HG LYS 23 HG2 LYS 23 -9.911 0.371 -0.976
176 2HG LYS 23 HG1 LYS 23 -11.370 -0.390 -0.341
177 1HD LYS 23 HD2 LYS 23 -12.497 1.522 -0.697
178 2HD LYS 23 HD1 LYS 23 -11.442 2.335 0.460
179 1HE LYS 23 HE2 LYS 23 -10.265 3.379 -1.188
180 2HE LYS 23 HE1 LYS 23 -10.199 1.911 -2.184
181 1HZ LYS 23 HZ1 LYS 23 -12.740 2.335 -2.391
182 2HZ LYS 23 HZ2 LYS 23 -11.662 3.198 -3.382
183 3HZ LYS 23 HZ3 LYS 23 -12.329 3.933 -2.003
184 H ALA 24 HN ALA 24 -9.559 -3.074 0.079
185 HA ALA 24 HA ALA 24 -6.689 -3.199 -0.259
186 1HB ALA 24 HB1 ALA 24 -9.119 -4.638 -1.017
187 2HB ALA 24 HB2 ALA 24 -7.503 -5.270 -0.696
188 3HB ALA 24 HB3 ALA 24 -7.910 -4.659 -2.300
189 H ALA 25 HN ALA 25 -6.738 -0.734 -0.949
190 HA ALA 25 HA ALA 25 -6.720 -0.676 -3.939
191 1HB ALA 25 HB1 ALA 25 -7.649 1.738 -2.460
192 2HB ALA 25 HB2 ALA 25 -8.753 0.362 -2.489
193 3HB ALA 25 HB3 ALA 25 -8.204 1.085 -4.002
194 H GLY 26 HN GLY 26 -4.329 -0.989 -3.086
195 1HA GLY 26 HA2 GLY 26 -3.097 1.700 -3.079
196 2HA GLY 26 HA1 GLY 26 -2.707 0.648 -1.717
197 H LYS 27 HN LYS 27 -0.619 1.424 -3.289
198 HA LYS 27 HA LYS 27 0.116 -1.137 -4.635
199 1HB LYS 27 HB2 LYS 27 0.711 1.568 -5.848
200 2HB LYS 27 HB1 LYS 27 0.752 -0.012 -6.630
201 1HG LYS 27 HG2 LYS 27 -1.652 -0.196 -6.552
202 2HG LYS 27 HG1 LYS 27 -1.782 1.247 -5.546
203 1HD LYS 27 HD2 LYS 27 -0.672 1.206 -8.367
204 2HD LYS 27 HD1 LYS 27 -2.304 1.716 -7.935
205 1HE LYS 27 HE2 LYS 27 -1.344 3.490 -6.469
206 2HE LYS 27 HE1 LYS 27 0.283 3.007 -6.992
207 1HZ LYS 27 HZ1 LYS 27 -0.882 4.839 -8.318
208 2HZ LYS 27 HZ2 LYS 27 -1.848 3.594 -8.954
209 3HZ LYS 27 HZ3 LYS 27 -0.166 3.573 -9.190
210 H CYS 28 HN CYS 28 2.570 -1.068 -5.134
211 HA CYS 28 HA CYS 28 3.968 0.283 -2.852
212 1HB CYS 28 HB2 CYS 28 4.130 -2.082 -2.670
213 2HB CYS 28 HB1 CYS 28 4.362 -2.281 -4.405
214 H MET 29 HN MET 29 5.547 1.777 -3.377
215 HA MET 29 HA MET 29 6.805 1.694 -6.066
216 1HB MET 29 HB2 MET 29 4.559 3.275 -5.433
217 2HB MET 29 HB1 MET 29 5.931 4.385 -5.423
218 1HG MET 29 HG2 MET 29 5.775 2.419 -7.662
219 2HG MET 29 HG1 MET 29 4.639 3.767 -7.686
220 1HE MET 29 HE1 MET 29 6.420 3.520 -10.025
221 2HE MET 29 HE2 MET 29 7.650 2.613 -9.149
222 3HE MET 29 HE3 MET 29 8.082 4.121 -9.950
223 H ASN 30 HN ASN 30 8.932 2.311 -5.906
224 HA ASN 30 HA ASN 30 10.926 3.177 -4.984
225 1HB ASN 30 HB2 ASN 30 8.710 4.983 -4.276
226 2HB ASN 30 HB1 ASN 30 10.105 5.116 -3.204
227 1HD2 ASN 30 HD21 ASN 30 12.318 5.125 -4.543
228 2HD2 ASN 30 HD22 ASN 30 12.318 6.121 -5.919
229 H GLY 31 HN GLY 31 8.940 1.211 -3.422
230 1HA GLY 31 HA2 GLY 31 9.558 -0.197 -1.583
231 2HA GLY 31 HA1 GLY 31 10.729 1.021 -1.076
232 H LYS 32 HN LYS 32 7.428 1.887 -1.865
233 HA LYS 32 HA LYS 32 6.773 2.108 1.045
234 1HB LYS 32 HB2 LYS 32 6.270 4.329 -0.945
235 2HB LYS 32 HB1 LYS 32 6.274 4.424 0.817
236 1HG LYS 32 HG2 LYS 32 8.752 3.740 0.678
237 2HG LYS 32 HG1 LYS 32 8.638 4.118 -1.041
238 1HD LYS 32 HD2 LYS 32 9.128 6.243 -0.425
239 2HD LYS 32 HD1 LYS 32 7.455 6.321 0.128
240 1HE LYS 32 HE2 LYS 32 8.848 7.023 1.982
241 2HE LYS 32 HE1 LYS 32 8.285 5.383 2.362
242 1HZ LYS 32 HZ1 LYS 32 10.293 4.452 1.614
243 2HZ LYS 32 HZ2 LYS 32 10.759 5.776 2.571
244 3HZ LYS 32 HZ3 LYS 32 10.797 5.895 0.877
245 H CYS 33 HN CYS 33 4.365 2.611 1.315
246 HA CYS 33 HA CYS 33 2.824 1.207 -0.836
247 1HB CYS 33 HB2 CYS 33 3.082 0.632 1.804
248 2HB CYS 33 HB1 CYS 33 1.672 1.691 1.860
249 H LYS 34 HN LYS 34 1.654 2.580 -2.103
250 HA LYS 34 HA LYS 34 0.720 5.169 -0.913
251 1HB LYS 34 HB2 LYS 34 1.147 4.317 -3.796
252 2HB LYS 34 HB1 LYS 34 0.768 5.947 -3.243
253 1HG LYS 34 HG2 LYS 34 2.868 6.212 -2.197
254 2HG LYS 34 HG1 LYS 34 3.187 4.477 -2.206
255 1HD LYS 34 HD2 LYS 34 4.519 5.565 -3.948
256 2HD LYS 34 HD1 LYS 34 3.294 4.538 -4.692
257 1HE LYS 34 HE2 LYS 34 1.885 6.843 -4.540
258 2HE LYS 34 HE1 LYS 34 3.524 7.505 -4.703
259 1HZ LYS 34 HZ1 LYS 34 3.786 5.705 -6.495
260 2HZ LYS 34 HZ2 LYS 34 2.906 7.104 -6.890
261 3HZ LYS 34 HZ3 LYS 34 2.091 5.662 -6.511
262 H CYS 35 HN CYS 35 -1.360 4.711 -0.160
263 HA CYS 35 HA CYS 35 -3.209 3.159 -1.907
264 1HB CYS 35 HB2 CYS 35 -3.281 4.144 0.958
265 2HB CYS 35 HB1 CYS 35 -4.629 3.300 0.195
266 H TYR 36 HN TYR 36 -5.463 4.072 -2.120
267 HA TYR 36 HA TYR 36 -5.643 7.037 -1.930
268 1HB TYR 36 HB2 TYR 36 -5.506 5.334 -4.392
269 2HB TYR 36 HB1 TYR 36 -6.546 6.758 -4.422
270 HD1 TYR 36 HD1 TYR 36 -5.584 9.021 -3.977
271 HD2 TYR 36 HD2 TYR 36 -3.113 5.535 -4.404
272 HE1 TYR 36 HE1 TYR 36 -3.604 10.469 -4.333
273 HE2 TYR 36 HE2 TYR 36 -1.131 6.983 -4.759
274 HH TYR 36 HH TYR 36 -1.298 10.461 -4.321
275 HA PRO 37 HA PRO 37 -9.541 5.005 -0.605
276 1HB PRO 37 HB2 PRO 37 -10.194 7.533 0.603
277 2HB PRO 37 HB1 PRO 37 -9.735 6.029 1.408
278 1HG PRO 37 HG2 PRO 37 -8.178 8.429 1.130
279 2HG PRO 37 HG1 PRO 37 -7.734 6.931 1.953
280 1HD PRO 37 HD2 PRO 37 -6.696 7.945 -0.533
281 2HD PRO 37 HD1 PRO 37 -6.283 6.412 0.273
Start of MODEL 28
1 1H VAL 1 HT1 VAL 1 -2.622 8.194 0.786
2 2H VAL 1 HT2 VAL 1 -1.384 9.353 0.679
3 3H VAL 1 HT3 VAL 1 -2.815 9.710 1.521
4 HA VAL 1 HA VAL 1 -0.780 9.117 2.918
5 HB VAL 1 HB VAL 1 -2.964 9.322 3.857
6 1HG1 VAL 1 HG11 VAL 1 -4.708 7.614 3.535
7 2HG1 VAL 1 HG12 VAL 1 -3.609 6.669 2.532
8 3HG1 VAL 1 HG13 VAL 1 -4.170 8.248 1.980
9 1HG2 VAL 1 HG21 VAL 1 -1.861 6.547 4.393
10 2HG2 VAL 1 HG22 VAL 1 -3.111 7.316 5.371
11 3HG2 VAL 1 HG23 VAL 1 -1.497 8.022 5.290
12 H PHE 2 HN PHE 2 0.935 7.794 2.341
13 HA PHE 2 HA PHE 2 0.372 4.968 1.552
14 1HB PHE 2 HB2 PHE 2 3.008 6.458 1.543
15 2HB PHE 2 HB1 PHE 2 2.556 5.055 0.578
16 HD1 PHE 2 HD1 PHE 2 -0.336 6.204 0.061
17 HD2 PHE 2 HD2 PHE 2 3.632 7.762 -0.449
18 HE1 PHE 2 HE1 PHE 2 -1.158 7.698 -1.733
19 HE2 PHE 2 HE2 PHE 2 2.813 9.260 -2.246
20 HZ PHE 2 HZ PHE 2 0.417 9.230 -2.892
21 H ILE 3 HN ILE 3 2.019 3.355 2.485
22 HA ILE 3 HA ILE 3 2.275 3.846 5.416
23 HB ILE 3 HB ILE 3 2.852 1.246 4.014
24 1HG1 ILE 3 HG12 ILE 3 0.668 2.245 3.113
25 2HG1 ILE 3 HG11 ILE 3 0.527 0.670 3.888
26 1HG2 ILE 3 HG21 ILE 3 2.317 2.210 6.713
27 2HG2 ILE 3 HG22 ILE 3 3.029 0.685 6.190
28 3HG2 ILE 3 HG23 ILE 3 1.275 0.855 6.279
29 1HD1 ILE 3 HD11 ILE 3 0.159 3.189 5.492
30 2HD1 ILE 3 HD12 ILE 3 -0.439 1.565 5.830
31 3HD1 ILE 3 HD13 ILE 3 -1.174 2.527 4.546
32 H ASN 4 HN ASN 4 4.343 3.035 6.423
33 HA ASN 4 HA ASN 4 6.671 3.617 4.628
34 1HB ASN 4 HB2 ASN 4 7.739 4.489 6.590
35 2HB ASN 4 HB1 ASN 4 6.085 5.099 6.636
36 1HD2 ASN 4 HD21 ASN 4 8.373 3.790 8.629
37 2HD2 ASN 4 HD22 ASN 4 7.369 3.011 9.754
38 H ALA 5 HN ALA 5 5.508 1.025 4.652
39 HA ALA 5 HA ALA 5 7.223 -0.639 6.419
40 1HB ALA 5 HB1 ALA 5 5.653 -2.312 4.909
41 2HB ALA 5 HB2 ALA 5 4.682 -0.840 4.924
42 3HB ALA 5 HB3 ALA 5 5.152 -1.603 6.444
43 H LYS 6 HN LYS 6 7.961 0.898 3.732
44 HA LYS 6 HA LYS 6 9.262 0.427 1.800
45 1HB LYS 6 HB2 LYS 6 10.216 -1.254 4.092
46 2HB LYS 6 HB1 LYS 6 10.955 -1.502 2.509
47 1HG LYS 6 HG2 LYS 6 10.656 1.256 3.697
48 2HG LYS 6 HG1 LYS 6 12.056 0.242 4.052
49 1HD LYS 6 HD2 LYS 6 12.324 -0.022 1.520
50 2HD LYS 6 HD1 LYS 6 11.158 1.293 1.362
51 1HE LYS 6 HE2 LYS 6 12.635 2.879 2.175
52 2HE LYS 6 HE1 LYS 6 13.473 1.712 3.217
53 1HZ LYS 6 HZ1 LYS 6 14.516 0.722 1.364
54 2HZ LYS 6 HZ2 LYS 6 14.715 2.398 1.154
55 3HZ LYS 6 HZ3 LYS 6 13.539 1.560 0.258
56 H CYS 7 HN CYS 7 6.882 -0.591 1.250
57 HA CYS 7 HA CYS 7 6.320 -3.291 1.087
58 1HB CYS 7 HB2 CYS 7 5.154 -2.649 -1.055
59 2HB CYS 7 HB1 CYS 7 4.838 -1.545 0.285
60 H ARG 8 HN ARG 8 7.178 -5.038 0.027
61 HA ARG 8 HA ARG 8 9.569 -4.596 -1.691
62 1HB ARG 8 HB2 ARG 8 8.362 -6.865 -0.114
63 2HB ARG 8 HB1 ARG 8 9.587 -7.193 -1.340
64 1HG ARG 8 HG2 ARG 8 11.249 -6.401 -0.029
65 2HG ARG 8 HG1 ARG 8 10.325 -4.958 0.393
66 1HD ARG 8 HD2 ARG 8 8.933 -6.590 1.902
67 2HD ARG 8 HD1 ARG 8 10.355 -7.642 1.763
68 HE ARG 8 HE ARG 8 10.249 -5.237 3.328
69 1HH1 ARG 8 HH21 ARG 8 12.249 -7.561 1.891
70 2HH1 ARG 8 HH22 ARG 8 13.723 -6.688 2.147
71 1HH2 ARG 8 HH11 ARG 8 12.137 -3.839 3.330
72 2HH2 ARG 8 HH12 ARG 8 13.659 -4.578 2.961
73 H GLY 9 HN GLY 9 6.247 -5.670 -1.807
74 1HA GLY 9 HA2 GLY 9 6.568 -6.152 -4.736
75 2HA GLY 9 HA1 GLY 9 5.620 -7.264 -3.748
76 H SER 10 HN SER 10 4.846 -5.377 -5.996
77 HA SER 10 HA SER 10 3.329 -3.181 -5.025
78 1HB SER 10 HB2 SER 10 3.288 -3.043 -7.280
79 2HB SER 10 HB1 SER 10 3.695 -4.748 -7.442
80 HG SER 10 HG SER 10 1.702 -4.830 -8.160
81 HA PRO 11 HA PRO 11 -0.456 -6.223 -4.958
82 1HB PRO 11 HB2 PRO 11 0.600 -8.868 -4.545
83 2HB PRO 11 HB1 PRO 11 -0.342 -8.271 -5.914
84 1HG PRO 11 HG2 PRO 11 2.432 -8.953 -5.879
85 2HG PRO 11 HG1 PRO 11 1.501 -8.293 -7.226
86 1HD PRO 11 HD2 PRO 11 3.504 -6.967 -5.611
87 2HD PRO 11 HD1 PRO 11 2.627 -6.325 -7.020
88 H GLU 12 HN GLU 12 2.463 -6.530 -3.074
89 HA GLU 12 HA GLU 12 1.288 -7.699 -0.701
90 1HB GLU 12 HB2 GLU 12 3.812 -6.869 -1.674
91 2HB GLU 12 HB1 GLU 12 3.537 -5.958 -0.189
92 1HG GLU 12 HG2 GLU 12 2.661 -8.451 0.537
93 2HG GLU 12 HG1 GLU 12 3.983 -8.849 -0.562
94 H CYS 13 HN CYS 13 1.627 -4.397 -1.924
95 HA CYS 13 HA CYS 13 0.945 -3.036 0.514
96 1HB CYS 13 HB2 CYS 13 1.946 -2.252 -1.793
97 2HB CYS 13 HB1 CYS 13 0.253 -2.033 -2.239
98 H LEU 14 HN LEU 14 -0.977 -4.568 -2.019
99 HA LEU 14 HA LEU 14 -3.505 -3.428 -1.601
100 1HB LEU 14 HB2 LEU 14 -2.333 -5.824 -2.713
101 2HB LEU 14 HB1 LEU 14 -3.848 -6.220 -1.900
102 HG LEU 14 HG LEU 14 -4.634 -3.988 -3.175
103 1HD1 LEU 14 HD11 LEU 14 -2.975 -3.301 -4.564
104 2HD1 LEU 14 HD12 LEU 14 -3.472 -4.655 -5.579
105 3HD1 LEU 14 HD13 LEU 14 -2.125 -4.842 -4.456
106 1HD2 LEU 14 HD21 LEU 14 -6.007 -5.507 -4.121
107 2HD2 LEU 14 HD22 LEU 14 -4.971 -6.777 -3.469
108 3HD2 LEU 14 HD23 LEU 14 -4.686 -6.154 -5.095
109 HA PRO 15 HA PRO 15 -4.298 -6.668 1.957
110 1HB PRO 15 HB2 PRO 15 -1.693 -7.446 2.911
111 2HB PRO 15 HB1 PRO 15 -2.950 -8.479 2.222
112 1HG PRO 15 HG2 PRO 15 -0.468 -7.625 1.009
113 2HG PRO 15 HG1 PRO 15 -1.672 -8.749 0.373
114 1HD PRO 15 HD2 PRO 15 -1.127 -6.120 -0.574
115 2HD PRO 15 HD1 PRO 15 -2.470 -7.175 -1.070
116 H LYS 16 HN LYS 16 -1.177 -4.905 2.085
117 HA LYS 16 HA LYS 16 -1.350 -3.984 4.774
118 1HB LYS 16 HB2 LYS 16 -0.080 -3.023 2.211
119 2HB LYS 16 HB1 LYS 16 0.063 -2.061 3.683
120 1HG LYS 16 HG2 LYS 16 0.728 -5.004 3.661
121 2HG LYS 16 HG1 LYS 16 1.926 -3.788 3.214
122 1HD LYS 16 HD2 LYS 16 1.427 -2.632 5.413
123 2HD LYS 16 HD1 LYS 16 0.468 -4.044 5.857
124 1HE LYS 16 HE2 LYS 16 2.335 -5.205 6.408
125 2HE LYS 16 HE1 LYS 16 3.080 -4.840 4.839
126 1HZ LYS 16 HZ1 LYS 16 3.043 -3.154 7.275
127 2HZ LYS 16 HZ2 LYS 16 3.412 -2.522 5.742
128 3HZ LYS 16 HZ3 LYS 16 4.394 -3.729 6.426
129 H CYS 17 HN CYS 17 -2.808 -2.826 1.777
130 HA CYS 17 HA CYS 17 -3.789 -0.302 2.775
131 1HB CYS 17 HB2 CYS 17 -3.542 -1.527 0.367
132 2HB CYS 17 HB1 CYS 17 -5.258 -1.807 0.667
133 H LYS 18 HN LYS 18 -5.162 -3.582 2.580
134 HA LYS 18 HA LYS 18 -7.797 -2.887 3.531
135 1HB LYS 18 HB2 LYS 18 -6.909 -4.960 2.270
136 2HB LYS 18 HB1 LYS 18 -6.376 -5.537 3.850
137 1HG LYS 18 HG2 LYS 18 -8.777 -5.108 4.642
138 2HG LYS 18 HG1 LYS 18 -9.196 -4.954 2.936
139 1HD LYS 18 HD2 LYS 18 -9.118 -7.188 2.626
140 2HD LYS 18 HD1 LYS 18 -7.552 -7.309 3.430
141 1HE LYS 18 HE2 LYS 18 -9.823 -6.761 5.250
142 2HE LYS 18 HE1 LYS 18 -9.850 -8.355 4.470
143 1HZ LYS 18 HZ1 LYS 18 -7.252 -7.435 5.385
144 2HZ LYS 18 HZ2 LYS 18 -7.944 -8.985 5.462
145 3HZ LYS 18 HZ3 LYS 18 -8.361 -7.808 6.613
146 H GLU 19 HN GLU 19 -4.735 -3.376 5.108
147 HA GLU 19 HA GLU 19 -6.058 -3.657 7.773
148 1HB GLU 19 HB2 GLU 19 -4.094 -5.093 6.688
149 2HB GLU 19 HB1 GLU 19 -3.101 -3.776 7.313
150 1HG GLU 19 HG2 GLU 19 -3.924 -4.133 9.560
151 2HG GLU 19 HG1 GLU 19 -5.105 -5.311 8.988
152 H ALA 20 HN ALA 20 -4.625 -1.315 5.747
153 HA ALA 20 HA ALA 20 -3.894 0.416 8.081
154 1HB ALA 20 HB1 ALA 20 -3.218 0.872 5.172
155 2HB ALA 20 HB2 ALA 20 -2.279 -0.247 6.160
156 3HB ALA 20 HB3 ALA 20 -2.363 1.459 6.600
157 H ILE 21 HN ILE 21 -5.365 0.674 4.815
158 HA ILE 21 HA ILE 21 -6.940 3.023 5.791
159 HB ILE 21 HB ILE 21 -5.460 3.248 3.802
160 1HG1 ILE 21 HG12 ILE 21 -8.413 3.323 3.102
161 2HG1 ILE 21 HG11 ILE 21 -7.561 4.580 4.000
162 1HG2 ILE 21 HG21 ILE 21 -6.347 2.050 1.700
163 2HG2 ILE 21 HG22 ILE 21 -7.213 0.995 2.817
164 3HG2 ILE 21 HG23 ILE 21 -5.452 1.071 2.862
165 1HD1 ILE 21 HD11 ILE 21 -6.163 5.101 2.129
166 2HD1 ILE 21 HD12 ILE 21 -7.806 4.997 1.496
167 3HD1 ILE 21 HD13 ILE 21 -6.682 3.659 1.256
168 H GLY 22 HN GLY 22 -7.214 -0.300 5.031
169 1HA GLY 22 HA2 GLY 22 -9.084 -1.719 5.011
170 2HA GLY 22 HA1 GLY 22 -10.030 -0.361 5.618
171 H LYS 23 HN LYS 23 -8.196 -0.580 2.572
172 HA LYS 23 HA LYS 23 -10.794 -0.435 1.089
173 1HB LYS 23 HB2 LYS 23 -9.826 1.816 1.396
174 2HB LYS 23 HB1 LYS 23 -8.307 1.262 0.692
175 1HG LYS 23 HG2 LYS 23 -9.879 2.497 -0.897
176 2HG LYS 23 HG1 LYS 23 -9.312 0.920 -1.450
177 1HD LYS 23 HD2 LYS 23 -11.374 -0.112 -1.046
178 2HD LYS 23 HD1 LYS 23 -11.878 1.124 0.107
179 1HE LYS 23 HE2 LYS 23 -11.682 2.709 -2.033
180 2HE LYS 23 HE1 LYS 23 -11.971 1.179 -2.885
181 1HZ LYS 23 HZ1 LYS 23 -14.075 2.174 -2.299
182 2HZ LYS 23 HZ2 LYS 23 -13.609 2.300 -0.670
183 3HZ LYS 23 HZ3 LYS 23 -13.846 0.771 -1.374
184 H ALA 24 HN ALA 24 -7.985 -2.112 1.550
185 HA ALA 24 HA ALA 24 -6.642 -3.519 0.180
186 1HB ALA 24 HB1 ALA 24 -8.476 -4.947 0.365
187 2HB ALA 24 HB2 ALA 24 -8.361 -4.783 -1.388
188 3HB ALA 24 HB3 ALA 24 -9.550 -3.839 -0.490
189 H ALA 25 HN ALA 25 -6.421 -0.894 -0.788
190 HA ALA 25 HA ALA 25 -6.136 -1.408 -3.706
191 1HB ALA 25 HB1 ALA 25 -8.372 -0.278 -2.975
192 2HB ALA 25 HB2 ALA 25 -7.468 0.447 -4.305
193 3HB ALA 25 HB3 ALA 25 -7.373 1.147 -2.689
194 H GLY 26 HN GLY 26 -3.831 -1.393 -3.203
195 1HA GLY 26 HA2 GLY 26 -2.720 1.334 -3.131
196 2HA GLY 26 HA1 GLY 26 -2.253 0.291 -1.786
197 H LYS 27 HN LYS 27 -0.173 1.078 -3.249
198 HA LYS 27 HA LYS 27 0.599 -1.393 -4.724
199 1HB LYS 27 HB2 LYS 27 0.876 1.439 -5.784
200 2HB LYS 27 HB1 LYS 27 1.390 -0.030 -6.612
201 1HG LYS 27 HG2 LYS 27 -1.073 -0.794 -6.342
202 2HG LYS 27 HG1 LYS 27 -1.412 0.905 -6.016
203 1HD LYS 27 HD2 LYS 27 0.307 0.508 -8.359
204 2HD LYS 27 HD1 LYS 27 -1.282 -0.238 -8.530
205 1HE LYS 27 HE2 LYS 27 -2.161 1.802 -8.958
206 2HE LYS 27 HE1 LYS 27 -1.661 2.337 -7.340
207 1HZ LYS 27 HZ1 LYS 27 0.379 2.087 -9.431
208 2HZ LYS 27 HZ2 LYS 27 0.316 3.148 -8.105
209 3HZ LYS 27 HZ3 LYS 27 -0.645 3.438 -9.476
210 H CYS 28 HN CYS 28 3.088 -0.664 -5.570
211 HA CYS 28 HA CYS 28 4.469 0.308 -3.089
212 1HB CYS 28 HB2 CYS 28 4.520 -2.175 -3.514
213 2HB CYS 28 HB1 CYS 28 5.363 -1.849 -5.030
214 H MET 29 HN MET 29 5.152 2.348 -3.734
215 HA MET 29 HA MET 29 6.733 2.501 -6.281
216 1HB MET 29 HB2 MET 29 4.299 3.616 -5.881
217 2HB MET 29 HB1 MET 29 5.319 4.903 -5.239
218 1HG MET 29 HG2 MET 29 5.278 5.506 -7.475
219 2HG MET 29 HG1 MET 29 6.699 4.462 -7.464
220 1HE MET 29 HE1 MET 29 6.155 1.412 -8.751
221 2HE MET 29 HE2 MET 29 7.154 2.827 -8.433
222 3HE MET 29 HE3 MET 29 6.480 2.579 -10.041
223 H ASN 30 HN ASN 30 8.734 3.486 -6.062
224 HA ASN 30 HA ASN 30 10.594 4.464 -4.981
225 1HB ASN 30 HB2 ASN 30 8.149 5.946 -4.316
226 2HB ASN 30 HB1 ASN 30 9.432 6.168 -3.125
227 1HD2 ASN 30 HD21 ASN 30 11.724 6.028 -4.771
228 2HD2 ASN 30 HD22 ASN 30 11.705 7.323 -5.868
229 H GLY 31 HN GLY 31 9.258 2.008 -3.796
230 1HA GLY 31 HA2 GLY 31 9.687 0.649 -1.926
231 2HA GLY 31 HA1 GLY 31 10.827 1.878 -1.375
232 H LYS 32 HN LYS 32 7.388 2.382 -2.054
233 HA LYS 32 HA LYS 32 6.879 2.695 0.876
234 1HB LYS 32 HB2 LYS 32 6.420 4.684 -1.364
235 2HB LYS 32 HB1 LYS 32 5.664 4.840 0.221
236 1HG LYS 32 HG2 LYS 32 8.499 4.315 0.503
237 2HG LYS 32 HG1 LYS 32 8.230 5.729 -0.517
238 1HD LYS 32 HD2 LYS 32 6.386 5.980 1.591
239 2HD LYS 32 HD1 LYS 32 7.893 5.461 2.349
240 1HE LYS 32 HE2 LYS 32 8.405 7.700 2.258
241 2HE LYS 32 HE1 LYS 32 8.811 7.341 0.567
242 1HZ LYS 32 HZ1 LYS 32 6.124 8.133 1.564
243 2HZ LYS 32 HZ2 LYS 32 6.523 7.787 -0.050
244 3HZ LYS 32 HZ3 LYS 32 7.192 9.146 0.720
245 H CYS 33 HN CYS 33 4.655 2.361 1.444
246 HA CYS 33 HA CYS 33 3.126 0.786 -0.547
247 1HB CYS 33 HB2 CYS 33 3.653 0.562 2.124
248 2HB CYS 33 HB1 CYS 33 2.060 1.310 2.165
249 H LYS 34 HN LYS 34 2.017 2.170 -1.943
250 HA LYS 34 HA LYS 34 0.729 4.615 -0.897
251 1HB LYS 34 HB2 LYS 34 1.398 3.370 -3.522
252 2HB LYS 34 HB1 LYS 34 0.035 4.488 -3.494
253 1HG LYS 34 HG2 LYS 34 1.366 6.289 -2.768
254 2HG LYS 34 HG1 LYS 34 2.658 5.226 -2.208
255 1HD LYS 34 HD2 LYS 34 3.658 5.676 -4.191
256 2HD LYS 34 HD1 LYS 34 2.467 4.576 -4.886
257 1HE LYS 34 HE2 LYS 34 0.938 6.467 -5.304
258 2HE LYS 34 HE1 LYS 34 2.121 7.583 -4.595
259 1HZ LYS 34 HZ1 LYS 34 2.404 7.480 -6.990
260 2HZ LYS 34 HZ2 LYS 34 2.586 5.790 -6.922
261 3HZ LYS 34 HZ3 LYS 34 3.754 6.803 -6.216
262 H CYS 35 HN CYS 35 -1.584 5.003 -1.263
263 HA CYS 35 HA CYS 35 -3.313 2.677 -1.842
264 1HB CYS 35 HB2 CYS 35 -2.724 3.806 0.853
265 2HB CYS 35 HB1 CYS 35 -4.403 3.375 0.524
266 H TYR 36 HN TYR 36 -5.535 3.341 -2.186
267 HA TYR 36 HA TYR 36 -5.820 6.274 -2.692
268 1HB TYR 36 HB2 TYR 36 -6.903 3.724 -3.837
269 2HB TYR 36 HB1 TYR 36 -7.882 5.184 -3.985
270 HD1 TYR 36 HD1 TYR 36 -4.583 3.675 -4.781
271 HD2 TYR 36 HD2 TYR 36 -7.261 6.963 -5.465
272 HE1 TYR 36 HE1 TYR 36 -3.165 4.438 -6.667
273 HE2 TYR 36 HE2 TYR 36 -5.843 7.725 -7.351
274 HH TYR 36 HH TYR 36 -3.734 7.505 -8.272
275 HA PRO 37 HA PRO 37 -8.723 6.754 0.590
276 1HB PRO 37 HB2 PRO 37 -10.501 8.380 -0.980
277 2HB PRO 37 HB1 PRO 37 -9.298 8.910 0.201
278 1HG PRO 37 HG2 PRO 37 -9.194 9.163 -2.660
279 2HG PRO 37 HG1 PRO 37 -8.004 9.709 -1.474
280 1HD PRO 37 HD2 PRO 37 -7.769 7.508 -3.318
281 2HD PRO 37 HD1 PRO 37 -6.587 8.033 -2.093
Start of MODEL 29
1 1H VAL 1 HT1 VAL 1 -4.999 6.346 2.214
2 2H VAL 1 HT2 VAL 1 -4.456 6.321 3.823
3 3H VAL 1 HT3 VAL 1 -3.773 5.272 2.676
4 HA VAL 1 HA VAL 1 -3.464 7.842 1.650
5 HB VAL 1 HB VAL 1 -2.341 8.939 3.547
6 1HG1 VAL 1 HG11 VAL 1 -4.955 8.887 3.172
7 2HG1 VAL 1 HG12 VAL 1 -4.287 9.621 4.629
8 3HG1 VAL 1 HG13 VAL 1 -4.948 7.988 4.690
9 1HG2 VAL 1 HG21 VAL 1 -2.651 6.238 4.684
10 2HG2 VAL 1 HG22 VAL 1 -3.078 7.535 5.801
11 3HG2 VAL 1 HG23 VAL 1 -1.472 7.491 5.072
12 H PHE 2 HN PHE 2 -0.804 8.275 2.424
13 HA PHE 2 HA PHE 2 0.511 5.921 1.202
14 1HB PHE 2 HB2 PHE 2 1.174 8.788 1.826
15 2HB PHE 2 HB1 PHE 2 2.473 7.661 1.439
16 HD1 PHE 2 HD1 PHE 2 -1.030 7.869 0.117
17 HD2 PHE 2 HD2 PHE 2 3.169 8.180 -0.743
18 HE1 PHE 2 HE1 PHE 2 -1.540 8.104 -2.298
19 HE2 PHE 2 HE2 PHE 2 2.655 8.415 -3.157
20 HZ PHE 2 HZ PHE 2 0.302 8.377 -3.935
21 H ILE 3 HN ILE 3 2.499 5.028 2.218
22 HA ILE 3 HA ILE 3 2.788 5.531 5.141
23 HB ILE 3 HB ILE 3 2.556 2.726 4.052
24 1HG1 ILE 3 HG12 ILE 3 0.301 4.499 5.051
25 2HG1 ILE 3 HG11 ILE 3 0.477 3.872 3.411
26 1HG2 ILE 3 HG21 ILE 3 1.602 2.611 6.537
27 2HG2 ILE 3 HG22 ILE 3 2.553 4.085 6.716
28 3HG2 ILE 3 HG23 ILE 3 3.336 2.584 6.223
29 1HD1 ILE 3 HD11 ILE 3 0.272 1.580 4.225
30 2HD1 ILE 3 HD12 ILE 3 -1.111 2.522 4.782
31 3HD1 ILE 3 HD13 ILE 3 0.208 2.150 5.893
32 H ASN 4 HN ASN 4 4.764 4.311 5.979
33 HA ASN 4 HA ASN 4 6.934 4.454 3.941
34 1HB ASN 4 HB2 ASN 4 8.346 4.505 6.032
35 2HB ASN 4 HB1 ASN 4 7.170 5.817 5.939
36 1HD2 ASN 4 HD21 ASN 4 6.963 6.030 8.272
37 2HD2 ASN 4 HD22 ASN 4 6.213 4.834 9.215
38 H ALA 5 HN ALA 5 4.971 2.105 4.515
39 HA ALA 5 HA ALA 5 6.447 -0.048 5.698
40 1HB ALA 5 HB1 ALA 5 4.282 -0.017 3.567
41 2HB ALA 5 HB2 ALA 5 4.005 0.002 5.309
42 3HB ALA 5 HB3 ALA 5 4.728 -1.415 4.546
43 H LYS 6 HN LYS 6 8.235 -1.078 4.884
44 HA LYS 6 HA LYS 6 9.349 -0.447 2.303
45 1HB LYS 6 HB2 LYS 6 10.966 -2.195 2.942
46 2HB LYS 6 HB1 LYS 6 10.628 -1.126 4.303
47 1HG LYS 6 HG2 LYS 6 8.676 -3.058 4.570
48 2HG LYS 6 HG1 LYS 6 10.057 -3.990 3.989
49 1HD LYS 6 HD2 LYS 6 10.347 -1.994 6.233
50 2HD LYS 6 HD1 LYS 6 9.844 -3.656 6.543
51 1HE LYS 6 HE2 LYS 6 11.971 -4.179 4.984
52 2HE LYS 6 HE1 LYS 6 12.498 -2.621 5.653
53 1HZ LYS 6 HZ1 LYS 6 11.680 -5.058 7.122
54 2HZ LYS 6 HZ2 LYS 6 11.713 -3.532 7.867
55 3HZ LYS 6 HZ3 LYS 6 13.142 -4.206 7.242
56 H CYS 7 HN CYS 7 7.329 -0.995 1.022
57 HA CYS 7 HA CYS 7 6.161 -3.529 0.737
58 1HB CYS 7 HB2 CYS 7 5.880 -2.738 -1.700
59 2HB CYS 7 HB1 CYS 7 5.277 -1.654 -0.447
60 H ARG 8 HN ARG 8 6.569 -4.813 -1.518
61 HA ARG 8 HA ARG 8 9.518 -5.329 -1.729
62 1HB ARG 8 HB2 ARG 8 7.234 -7.043 -0.973
63 2HB ARG 8 HB1 ARG 8 8.329 -7.765 -2.153
64 1HG ARG 8 HG2 ARG 8 10.248 -7.203 -0.660
65 2HG ARG 8 HG1 ARG 8 9.102 -6.606 0.540
66 1HD ARG 8 HD2 ARG 8 8.092 -8.815 0.755
67 2HD ARG 8 HD1 ARG 8 9.112 -9.440 -0.558
68 HE ARG 8 HE ARG 8 10.849 -9.618 1.025
69 1HH1 ARG 8 HH11 ARG 8 8.419 -8.790 2.959
70 2HH1 ARG 8 HH12 ARG 8 9.283 -7.694 3.986
71 1HH2 ARG 8 HH21 ARG 8 12.053 -7.510 1.910
72 2HH2 ARG 8 HH22 ARG 8 11.338 -6.970 3.393
73 H GLY 9 HN GLY 9 6.326 -5.553 -3.292
74 1HA GLY 9 HA2 GLY 9 7.665 -5.182 -5.908
75 2HA GLY 9 HA1 GLY 9 6.651 -6.614 -5.722
76 H SER 10 HN SER 10 4.471 -5.751 -4.373
77 HA SER 10 HA SER 10 3.334 -3.247 -4.932
78 1HB SER 10 HB2 SER 10 3.290 -3.243 -7.193
79 2HB SER 10 HB1 SER 10 3.765 -4.937 -7.264
80 HG SER 10 HG SER 10 1.230 -3.765 -7.247
81 HA PRO 11 HA PRO 11 -0.301 -6.483 -4.768
82 1HB PRO 11 HB2 PRO 11 0.901 -9.029 -4.174
83 2HB PRO 11 HB1 PRO 11 -0.066 -8.577 -5.582
84 1HG PRO 11 HG2 PRO 11 2.768 -9.050 -5.458
85 2HG PRO 11 HG1 PRO 11 1.794 -8.631 -6.870
86 1HD PRO 11 HD2 PRO 11 3.688 -6.975 -5.502
87 2HD PRO 11 HD1 PRO 11 2.649 -6.519 -6.871
88 H GLU 12 HN GLU 12 2.625 -7.115 -2.818
89 HA GLU 12 HA GLU 12 1.359 -7.921 -0.407
90 1HB GLU 12 HB2 GLU 12 3.492 -7.499 0.553
91 2HB GLU 12 HB1 GLU 12 3.836 -7.868 -1.137
92 1HG GLU 12 HG2 GLU 12 3.496 -5.056 -0.058
93 2HG GLU 12 HG1 GLU 12 5.057 -5.846 -0.278
94 H CYS 13 HN CYS 13 1.721 -4.731 -1.841
95 HA CYS 13 HA CYS 13 1.187 -3.169 0.519
96 1HB CYS 13 HB2 CYS 13 1.515 -2.855 -2.358
97 2HB CYS 13 HB1 CYS 13 0.263 -1.781 -1.735
98 H LEU 14 HN LEU 14 -0.930 -4.613 -1.963
99 HA LEU 14 HA LEU 14 -3.369 -3.375 -1.388
100 1HB LEU 14 HB2 LEU 14 -2.393 -5.729 -2.682
101 2HB LEU 14 HB1 LEU 14 -3.798 -6.185 -1.715
102 HG LEU 14 HG LEU 14 -4.614 -5.492 -3.875
103 1HD1 LEU 14 HD11 LEU 14 -5.265 -4.161 -1.447
104 2HD1 LEU 14 HD12 LEU 14 -6.302 -4.412 -2.851
105 3HD1 LEU 14 HD13 LEU 14 -5.317 -2.953 -2.731
106 1HD2 LEU 14 HD21 LEU 14 -2.915 -3.022 -3.405
107 2HD2 LEU 14 HD22 LEU 14 -4.101 -3.166 -4.703
108 3HD2 LEU 14 HD23 LEU 14 -2.697 -4.232 -4.669
109 HA PRO 15 HA PRO 15 -4.196 -6.650 2.117
110 1HB PRO 15 HB2 PRO 15 -1.613 -7.561 3.003
111 2HB PRO 15 HB1 PRO 15 -2.925 -8.521 2.311
112 1HG PRO 15 HG2 PRO 15 -0.428 -7.780 1.082
113 2HG PRO 15 HG1 PRO 15 -1.719 -8.783 0.414
114 1HD PRO 15 HD2 PRO 15 -0.998 -6.127 -0.376
115 2HD PRO 15 HD1 PRO 15 -2.361 -7.098 -0.976
116 H LYS 16 HN LYS 16 -1.045 -4.957 2.181
117 HA LYS 16 HA LYS 16 -1.106 -4.153 4.922
118 1HB LYS 16 HB2 LYS 16 0.089 -2.892 2.432
119 2HB LYS 16 HB1 LYS 16 0.508 -2.420 4.080
120 1HG LYS 16 HG2 LYS 16 0.739 -5.273 3.099
121 2HG LYS 16 HG1 LYS 16 2.069 -4.119 2.988
122 1HD LYS 16 HD2 LYS 16 0.628 -4.719 5.582
123 2HD LYS 16 HD1 LYS 16 2.080 -5.580 5.069
124 1HE LYS 16 HE2 LYS 16 3.194 -3.900 6.153
125 2HE LYS 16 HE1 LYS 16 2.817 -2.942 4.707
126 1HZ LYS 16 HZ1 LYS 16 1.582 -2.877 7.332
127 2HZ LYS 16 HZ2 LYS 16 0.496 -2.837 6.026
128 3HZ LYS 16 HZ3 LYS 16 1.709 -1.654 6.164
129 H CYS 17 HN CYS 17 -2.172 -2.399 1.974
130 HA CYS 17 HA CYS 17 -3.158 -0.065 3.272
131 1HB CYS 17 HB2 CYS 17 -3.938 -1.548 0.746
132 2HB CYS 17 HB1 CYS 17 -4.599 0.031 1.163
133 H LYS 18 HN LYS 18 -4.650 -3.233 2.696
134 HA LYS 18 HA LYS 18 -7.329 -2.584 3.450
135 1HB LYS 18 HB2 LYS 18 -6.307 -4.670 2.326
136 2HB LYS 18 HB1 LYS 18 -5.902 -5.202 3.958
137 1HG LYS 18 HG2 LYS 18 -7.991 -6.018 4.143
138 2HG LYS 18 HG1 LYS 18 -8.589 -4.361 4.084
139 1HD LYS 18 HD2 LYS 18 -9.534 -4.782 2.090
140 2HD LYS 18 HD1 LYS 18 -7.941 -5.129 1.418
141 1HE LYS 18 HE2 LYS 18 -8.771 -7.238 1.105
142 2HE LYS 18 HE1 LYS 18 -8.485 -7.435 2.846
143 1HZ LYS 18 HZ1 LYS 18 -10.975 -6.490 1.530
144 2HZ LYS 18 HZ2 LYS 18 -10.700 -6.392 3.204
145 3HZ LYS 18 HZ3 LYS 18 -10.773 -7.907 2.440
146 H GLU 19 HN GLU 19 -4.493 -3.560 5.365
147 HA GLU 19 HA GLU 19 -5.972 -3.714 7.880
148 1HB GLU 19 HB2 GLU 19 -3.170 -3.939 6.879
149 2HB GLU 19 HB1 GLU 19 -3.375 -3.562 8.590
150 1HG GLU 19 HG2 GLU 19 -5.235 -5.626 7.895
151 2HG GLU 19 HG1 GLU 19 -3.640 -6.097 7.310
152 H ALA 20 HN ALA 20 -4.537 -1.187 6.002
153 HA ALA 20 HA ALA 20 -4.426 0.651 8.353
154 1HB ALA 20 HB1 ALA 20 -3.462 0.890 5.482
155 2HB ALA 20 HB2 ALA 20 -2.463 0.469 6.873
156 3HB ALA 20 HB3 ALA 20 -3.169 2.080 6.752
157 H ILE 21 HN ILE 21 -5.838 0.395 5.078
158 HA ILE 21 HA ILE 21 -7.726 2.603 5.805
159 HB ILE 21 HB ILE 21 -6.033 2.649 3.810
160 1HG1 ILE 21 HG12 ILE 21 -8.952 3.202 3.213
161 2HG1 ILE 21 HG11 ILE 21 -7.957 4.232 4.246
162 1HG2 ILE 21 HG21 ILE 21 -7.212 0.282 3.157
163 2HG2 ILE 21 HG22 ILE 21 -6.415 1.333 1.987
164 3HG2 ILE 21 HG23 ILE 21 -8.166 1.398 2.181
165 1HD1 ILE 21 HD11 ILE 21 -6.301 4.127 2.172
166 2HD1 ILE 21 HD12 ILE 21 -7.631 5.283 2.207
167 3HD1 ILE 21 HD13 ILE 21 -7.789 3.784 1.291
168 H GLY 22 HN GLY 22 -7.468 -0.741 4.798
169 1HA GLY 22 HA2 GLY 22 -9.099 -2.433 4.772
170 2HA GLY 22 HA1 GLY 22 -10.199 -1.296 5.553
171 H LYS 23 HN LYS 23 -8.563 -0.812 2.442
172 HA LYS 23 HA LYS 23 -11.240 -0.984 1.102
173 1HB LYS 23 HB2 LYS 23 -10.328 1.346 1.671
174 2HB LYS 23 HB1 LYS 23 -9.070 1.029 0.475
175 1HG LYS 23 HG2 LYS 23 -10.483 1.421 -1.241
176 2HG LYS 23 HG1 LYS 23 -11.721 0.375 -0.547
177 1HD LYS 23 HD2 LYS 23 -12.221 2.278 1.083
178 2HD LYS 23 HD1 LYS 23 -11.211 3.294 0.055
179 1HE LYS 23 HE2 LYS 23 -13.395 3.641 -0.805
180 2HE LYS 23 HE1 LYS 23 -12.729 2.407 -1.892
181 1HZ LYS 23 HZ1 LYS 23 -14.521 2.019 0.435
182 2HZ LYS 23 HZ2 LYS 23 -13.616 0.741 -0.227
183 3HZ LYS 23 HZ3 LYS 23 -14.778 1.544 -1.173
184 H ALA 24 HN ALA 24 -8.119 -2.156 1.230
185 HA ALA 24 HA ALA 24 -6.764 -3.361 -0.289
186 1HB ALA 24 HB1 ALA 24 -9.154 -4.454 -0.128
187 2HB ALA 24 HB2 ALA 24 -8.030 -5.009 -1.368
188 3HB ALA 24 HB3 ALA 24 -9.318 -3.881 -1.787
189 H ALA 25 HN ALA 25 -6.445 -0.771 -0.958
190 HA ALA 25 HA ALA 25 -6.403 -0.845 -3.926
191 1HB ALA 25 HB1 ALA 25 -7.511 1.555 -2.470
192 2HB ALA 25 HB2 ALA 25 -8.559 0.212 -2.924
193 3HB ALA 25 HB3 ALA 25 -7.700 1.119 -4.167
194 H GLY 26 HN GLY 26 -4.303 -0.327 -4.419
195 1HA GLY 26 HA2 GLY 26 -2.933 1.969 -4.130
196 2HA GLY 26 HA1 GLY 26 -2.723 1.290 -2.517
197 H LYS 27 HN LYS 27 -0.447 1.687 -3.897
198 HA LYS 27 HA LYS 27 0.425 -1.096 -4.547
199 1HB LYS 27 HB2 LYS 27 1.014 1.398 -6.180
200 2HB LYS 27 HB1 LYS 27 1.575 -0.233 -6.545
201 1HG LYS 27 HG2 LYS 27 -0.297 -0.389 -7.815
202 2HG LYS 27 HG1 LYS 27 -1.139 -0.608 -6.280
203 1HD LYS 27 HD2 LYS 27 -2.293 1.274 -6.725
204 2HD LYS 27 HD1 LYS 27 -0.785 2.172 -6.549
205 1HE LYS 27 HE2 LYS 27 -0.742 0.961 -9.133
206 2HE LYS 27 HE1 LYS 27 -2.313 1.764 -8.940
207 1HZ LYS 27 HZ1 LYS 27 -1.355 3.786 -8.601
208 2HZ LYS 27 HZ2 LYS 27 -0.165 3.114 -9.612
209 3HZ LYS 27 HZ3 LYS 27 0.062 3.140 -7.928
210 H CYS 28 HN CYS 28 3.055 -0.606 -5.111
211 HA CYS 28 HA CYS 28 4.052 0.569 -2.554
212 1HB CYS 28 HB2 CYS 28 4.799 -1.634 -2.754
213 2HB CYS 28 HB1 CYS 28 4.913 -1.547 -4.508
214 H MET 29 HN MET 29 5.799 2.110 -2.622
215 HA MET 29 HA MET 29 6.118 3.469 -5.277
216 1HB MET 29 HB2 MET 29 4.955 4.585 -3.275
217 2HB MET 29 HB1 MET 29 6.548 4.638 -2.520
218 1HG MET 29 HG2 MET 29 6.971 5.599 -5.114
219 2HG MET 29 HG1 MET 29 5.451 6.338 -4.609
220 1HE MET 29 HE1 MET 29 5.759 8.884 -3.126
221 2HE MET 29 HE2 MET 29 6.040 8.357 -4.783
222 3HE MET 29 HE3 MET 29 7.265 9.309 -3.951
223 H ASN 30 HN ASN 30 7.909 1.743 -5.550
224 HA ASN 30 HA ASN 30 10.205 1.188 -5.557
225 1HB ASN 30 HB2 ASN 30 10.009 4.166 -5.173
226 2HB ASN 30 HB1 ASN 30 11.593 3.391 -5.209
227 1HD2 ASN 30 HD21 ASN 30 12.293 2.405 -7.228
228 2HD2 ASN 30 HD22 ASN 30 11.480 2.698 -8.689
229 H GLY 31 HN GLY 31 8.717 1.016 -2.940
230 1HA GLY 31 HA2 GLY 31 10.336 -0.022 -1.140
231 2HA GLY 31 HA1 GLY 31 10.914 1.640 -1.027
232 H LYS 32 HN LYS 32 8.216 2.770 -1.460
233 HA LYS 32 HA LYS 32 7.148 2.255 1.285
234 1HB LYS 32 HB2 LYS 32 6.981 4.578 -0.657
235 2HB LYS 32 HB1 LYS 32 6.109 4.533 0.877
236 1HG LYS 32 HG2 LYS 32 7.968 5.415 1.809
237 2HG LYS 32 HG1 LYS 32 8.708 3.830 1.579
238 1HD LYS 32 HD2 LYS 32 9.061 4.813 -0.898
239 2HD LYS 32 HD1 LYS 32 9.059 6.331 0.000
240 1HE LYS 32 HE2 LYS 32 10.728 5.101 1.604
241 2HE LYS 32 HE1 LYS 32 10.974 4.016 0.220
242 1HZ LYS 32 HZ1 LYS 32 12.470 5.737 -0.173
243 2HZ LYS 32 HZ2 LYS 32 11.398 6.937 0.373
244 3HZ LYS 32 HZ3 LYS 32 11.134 6.173 -1.122
245 H CYS 33 HN CYS 33 4.611 3.002 1.200
246 HA CYS 33 HA CYS 33 3.357 1.387 -1.003
247 1HB CYS 33 HB2 CYS 33 3.439 0.557 1.468
248 2HB CYS 33 HB1 CYS 33 2.214 1.790 1.760
249 H LYS 34 HN LYS 34 1.252 2.166 -1.722
250 HA LYS 34 HA LYS 34 0.581 4.954 -0.860
251 1HB LYS 34 HB2 LYS 34 0.996 3.837 -3.647
252 2HB LYS 34 HB1 LYS 34 0.224 5.393 -3.340
253 1HG LYS 34 HG2 LYS 34 2.310 5.980 -1.962
254 2HG LYS 34 HG1 LYS 34 3.060 4.567 -2.705
255 1HD LYS 34 HD2 LYS 34 1.762 6.782 -4.309
256 2HD LYS 34 HD1 LYS 34 3.482 6.757 -3.914
257 1HE LYS 34 HE2 LYS 34 3.885 5.304 -5.603
258 2HE LYS 34 HE1 LYS 34 2.662 4.183 -4.972
259 1HZ LYS 34 HZ1 LYS 34 0.947 5.663 -5.923
260 2HZ LYS 34 HZ2 LYS 34 1.943 4.965 -7.109
261 3HZ LYS 34 HZ3 LYS 34 2.171 6.585 -6.651
262 H CYS 35 HN CYS 35 -1.259 4.022 0.288
263 HA CYS 35 HA CYS 35 -3.231 2.407 -1.160
264 1HB CYS 35 HB2 CYS 35 -3.503 3.876 1.474
265 2HB CYS 35 HB1 CYS 35 -4.376 2.435 0.957
266 H TYR 36 HN TYR 36 -5.127 3.175 -2.110
267 HA TYR 36 HA TYR 36 -5.289 6.036 -2.695
268 1HB TYR 36 HB2 TYR 36 -6.613 3.484 -3.478
269 2HB TYR 36 HB1 TYR 36 -7.533 4.967 -3.735
270 HD1 TYR 36 HD1 TYR 36 -7.443 5.180 -6.106
271 HD2 TYR 36 HD2 TYR 36 -3.834 4.578 -3.856
272 HE1 TYR 36 HE1 TYR 36 -6.099 5.661 -8.133
273 HE2 TYR 36 HE2 TYR 36 -2.490 5.061 -5.884
274 HH TYR 36 HH TYR 36 -3.062 4.836 -8.563
275 HA PRO 37 HA PRO 37 -7.923 7.131 0.711
276 1HB PRO 37 HB2 PRO 37 -9.201 9.178 -0.851
277 2HB PRO 37 HB1 PRO 37 -7.929 9.371 0.359
278 1HG PRO 37 HG2 PRO 37 -7.703 9.650 -2.487
279 2HG PRO 37 HG1 PRO 37 -6.432 9.831 -1.275
280 1HD PRO 37 HD2 PRO 37 -6.774 7.685 -3.175
281 2HD PRO 37 HD1 PRO 37 -5.491 7.870 -1.952
Start of MODEL 30
1 1H VAL 1 HT1 VAL 1 -4.508 8.720 0.138
2 2H VAL 1 HT2 VAL 1 -3.055 9.599 0.181
3 3H VAL 1 HT3 VAL 1 -4.360 10.060 1.167
4 HA VAL 1 HA VAL 1 -3.212 8.924 2.745
5 HB VAL 1 HB VAL 1 -4.694 6.880 1.069
6 1HG1 VAL 1 HG11 VAL 1 -4.763 5.702 3.409
7 2HG1 VAL 1 HG12 VAL 1 -3.316 6.656 3.734
8 3HG1 VAL 1 HG13 VAL 1 -3.334 5.508 2.394
9 1HG2 VAL 1 HG21 VAL 1 -5.401 8.908 3.092
10 2HG2 VAL 1 HG22 VAL 1 -6.092 7.313 3.395
11 3HG2 VAL 1 HG23 VAL 1 -6.414 8.138 1.870
12 H PHE 2 HN PHE 2 -1.060 8.477 2.950
13 HA PHE 2 HA PHE 2 0.175 6.471 1.111
14 1HB PHE 2 HB2 PHE 2 0.706 9.364 1.399
15 2HB PHE 2 HB1 PHE 2 2.149 8.351 1.428
16 HD1 PHE 2 HD1 PHE 2 -1.011 8.907 -0.502
17 HD2 PHE 2 HD2 PHE 2 3.061 7.544 -0.576
18 HE1 PHE 2 HE1 PHE 2 -1.144 8.644 -2.965
19 HE2 PHE 2 HE2 PHE 2 2.929 7.281 -3.039
20 HZ PHE 2 HZ PHE 2 0.826 7.832 -4.233
21 H ILE 3 HN ILE 3 1.785 5.219 2.145
22 HA ILE 3 HA ILE 3 2.517 5.986 4.945
23 HB ILE 3 HB ILE 3 2.158 3.434 5.384
24 1HG1 ILE 3 HG12 ILE 3 0.117 3.706 3.193
25 2HG1 ILE 3 HG11 ILE 3 1.756 3.194 2.787
26 1HG2 ILE 3 HG21 ILE 3 0.087 5.585 5.093
27 2HG2 ILE 3 HG22 ILE 3 0.712 4.826 6.558
28 3HG2 ILE 3 HG23 ILE 3 -0.427 3.956 5.531
29 1HD1 ILE 3 HD11 ILE 3 1.497 1.471 4.684
30 2HD1 ILE 3 HD12 ILE 3 0.590 1.170 3.202
31 3HD1 ILE 3 HD13 ILE 3 -0.226 1.838 4.616
32 H ASN 4 HN ASN 4 4.641 5.474 5.466
33 HA ASN 4 HA ASN 4 6.565 4.943 3.460
34 1HB ASN 4 HB2 ASN 4 8.076 4.721 5.336
35 2HB ASN 4 HB1 ASN 4 6.857 5.911 5.791
36 1HD2 ASN 4 HD21 ASN 4 8.521 3.618 7.273
37 2HD2 ASN 4 HD22 ASN 4 7.340 2.928 8.278
38 H ALA 5 HN ALA 5 4.996 2.711 5.765
39 HA ALA 5 HA ALA 5 5.111 0.335 5.885
40 1HB ALA 5 HB1 ALA 5 4.152 -0.567 3.825
41 2HB ALA 5 HB2 ALA 5 4.686 0.852 2.925
42 3HB ALA 5 HB3 ALA 5 3.430 1.008 4.153
43 H LYS 6 HN LYS 6 5.888 -1.166 3.353
44 HA LYS 6 HA LYS 6 8.668 -0.658 2.781
45 1HB LYS 6 HB2 LYS 6 9.558 -2.553 4.144
46 2HB LYS 6 HB1 LYS 6 8.887 -1.260 5.138
47 1HG LYS 6 HG2 LYS 6 6.804 -3.128 4.439
48 2HG LYS 6 HG1 LYS 6 8.157 -3.990 5.173
49 1HD LYS 6 HD2 LYS 6 7.992 -2.816 7.180
50 2HD LYS 6 HD1 LYS 6 7.187 -1.439 6.426
51 1HE LYS 6 HE2 LYS 6 5.628 -2.821 7.830
52 2HE LYS 6 HE1 LYS 6 5.138 -2.777 6.125
53 1HZ LYS 6 HZ1 LYS 6 5.807 -4.900 5.771
54 2HZ LYS 6 HZ2 LYS 6 5.469 -5.050 7.429
55 3HZ LYS 6 HZ3 LYS 6 7.068 -4.822 6.902
56 H CYS 7 HN CYS 7 6.569 -1.225 1.147
57 HA CYS 7 HA CYS 7 5.990 -3.929 0.529
58 1HB CYS 7 HB2 CYS 7 5.440 -2.967 -1.708
59 2HB CYS 7 HB1 CYS 7 4.814 -1.982 -0.386
60 H ARG 8 HN ARG 8 6.995 -5.433 -0.850
61 HA ARG 8 HA ARG 8 9.840 -4.816 -1.567
62 1HB ARG 8 HB2 ARG 8 8.319 -7.190 -0.567
63 2HB ARG 8 HB1 ARG 8 9.714 -7.490 -1.605
64 1HG ARG 8 HG2 ARG 8 9.923 -5.602 0.733
65 2HG ARG 8 HG1 ARG 8 10.108 -7.342 0.961
66 1HD ARG 8 HD2 ARG 8 11.755 -5.588 -0.898
67 2HD ARG 8 HD1 ARG 8 12.323 -6.403 0.575
68 HE ARG 8 HE ARG 8 11.285 -8.494 -0.829
69 1HH1 ARG 8 HH21 ARG 8 14.222 -8.262 -0.679
70 2HH1 ARG 8 HH22 ARG 8 14.687 -8.113 -2.342
71 1HH2 ARG 8 HH11 ARG 8 11.500 -7.282 -3.431
72 2HH2 ARG 8 HH12 ARG 8 13.143 -7.563 -3.902
73 H GLY 9 HN GLY 9 6.736 -5.417 -2.859
74 1HA GLY 9 HA2 GLY 9 7.915 -5.708 -5.568
75 2HA GLY 9 HA1 GLY 9 6.736 -6.915 -5.052
76 H SER 10 HN SER 10 4.610 -5.951 -4.226
77 HA SER 10 HA SER 10 3.690 -3.353 -4.730
78 1HB SER 10 HB2 SER 10 3.975 -3.208 -6.978
79 2HB SER 10 HB1 SER 10 4.276 -4.937 -7.121
80 HG SER 10 HG SER 10 2.215 -3.804 -8.008
81 HA PRO 11 HA PRO 11 -0.086 -6.390 -5.175
82 1HB PRO 11 HB2 PRO 11 0.932 -9.046 -4.741
83 2HB PRO 11 HB1 PRO 11 0.134 -8.407 -6.182
84 1HG PRO 11 HG2 PRO 11 2.913 -9.058 -5.842
85 2HG PRO 11 HG1 PRO 11 2.108 -8.444 -7.289
86 1HD PRO 11 HD2 PRO 11 3.934 -7.047 -5.571
87 2HD PRO 11 HD1 PRO 11 3.077 -6.410 -6.994
88 H GLU 12 HN GLU 12 2.646 -6.808 -3.040
89 HA GLU 12 HA GLU 12 1.186 -7.997 -0.822
90 1HB GLU 12 HB2 GLU 12 3.862 -6.762 -1.359
91 2HB GLU 12 HB1 GLU 12 3.366 -6.974 0.320
92 1HG GLU 12 HG2 GLU 12 3.385 -9.176 -1.766
93 2HG GLU 12 HG1 GLU 12 4.633 -8.938 -0.542
94 H CYS 13 HN CYS 13 1.493 -4.795 -2.091
95 HA CYS 13 HA CYS 13 1.098 -3.282 0.329
96 1HB CYS 13 HB2 CYS 13 1.317 -2.906 -2.525
97 2HB CYS 13 HB1 CYS 13 -0.015 -1.934 -1.903
98 H LEU 14 HN LEU 14 -1.084 -5.008 -1.819
99 HA LEU 14 HA LEU 14 -3.532 -3.724 -1.184
100 1HB LEU 14 HB2 LEU 14 -2.548 -6.211 -2.362
101 2HB LEU 14 HB1 LEU 14 -4.087 -6.429 -1.531
102 HG LEU 14 HG LEU 14 -3.654 -4.113 -3.412
103 1HD1 LEU 14 HD11 LEU 14 -3.243 -6.538 -4.387
104 2HD1 LEU 14 HD12 LEU 14 -4.228 -5.377 -5.276
105 3HD1 LEU 14 HD13 LEU 14 -5.001 -6.636 -4.313
106 1HD2 LEU 14 HD21 LEU 14 -5.614 -4.295 -1.766
107 2HD2 LEU 14 HD22 LEU 14 -6.173 -5.650 -2.746
108 3HD2 LEU 14 HD23 LEU 14 -6.038 -4.044 -3.460
109 HA PRO 15 HA PRO 15 -4.075 -7.006 2.365
110 1HB PRO 15 HB2 PRO 15 -1.437 -7.915 3.060
111 2HB PRO 15 HB1 PRO 15 -2.790 -8.873 2.450
112 1HG PRO 15 HG2 PRO 15 -0.385 -8.099 1.060
113 2HG PRO 15 HG1 PRO 15 -1.702 -9.124 0.483
114 1HD PRO 15 HD2 PRO 15 -1.076 -6.468 -0.374
115 2HD PRO 15 HD1 PRO 15 -2.483 -7.451 -0.847
116 H LYS 16 HN LYS 16 -0.804 -5.522 2.379
117 HA LYS 16 HA LYS 16 -0.731 -4.678 5.075
118 1HB LYS 16 HB2 LYS 16 0.524 -3.980 2.483
119 2HB LYS 16 HB1 LYS 16 0.617 -2.724 3.716
120 1HG LYS 16 HG2 LYS 16 2.565 -4.254 3.826
121 2HG LYS 16 HG1 LYS 16 1.600 -4.322 5.301
122 1HD LYS 16 HD2 LYS 16 0.380 -6.304 4.244
123 2HD LYS 16 HD1 LYS 16 1.659 -6.317 3.030
124 1HE LYS 16 HE2 LYS 16 2.614 -6.187 5.833
125 2HE LYS 16 HE1 LYS 16 1.821 -7.706 5.370
126 1HZ LYS 16 HZ1 LYS 16 3.916 -6.352 3.757
127 2HZ LYS 16 HZ2 LYS 16 3.215 -7.869 3.447
128 3HZ LYS 16 HZ3 LYS 16 4.217 -7.652 4.802
129 H CYS 17 HN CYS 17 -2.043 -2.992 2.212
130 HA CYS 17 HA CYS 17 -2.892 -0.649 3.723
131 1HB CYS 17 HB2 CYS 17 -3.110 -1.762 0.960
132 2HB CYS 17 HB1 CYS 17 -4.267 -0.514 1.421
133 H LYS 18 HN LYS 18 -4.456 -3.611 2.530
134 HA LYS 18 HA LYS 18 -7.159 -3.003 3.045
135 1HB LYS 18 HB2 LYS 18 -6.637 -5.010 1.916
136 2HB LYS 18 HB1 LYS 18 -5.458 -5.493 3.135
137 1HG LYS 18 HG2 LYS 18 -7.035 -6.506 4.399
138 2HG LYS 18 HG1 LYS 18 -8.140 -5.138 4.251
139 1HD LYS 18 HD2 LYS 18 -7.870 -6.536 1.719
140 2HD LYS 18 HD1 LYS 18 -8.397 -7.633 2.996
141 1HE LYS 18 HE2 LYS 18 -9.747 -5.003 3.032
142 2HE LYS 18 HE1 LYS 18 -10.103 -6.001 1.608
143 1HZ LYS 18 HZ1 LYS 18 -10.619 -7.852 3.021
144 2HZ LYS 18 HZ2 LYS 18 -11.547 -6.522 3.528
145 3HZ LYS 18 HZ3 LYS 18 -10.172 -6.988 4.410
146 H GLU 19 HN GLU 19 -4.554 -3.789 5.281
147 HA GLU 19 HA GLU 19 -6.482 -3.916 7.555
148 1HB GLU 19 HB2 GLU 19 -4.754 -5.689 7.196
149 2HB GLU 19 HB1 GLU 19 -3.500 -4.465 7.402
150 1HG GLU 19 HG2 GLU 19 -4.000 -5.765 9.499
151 2HG GLU 19 HG1 GLU 19 -4.218 -4.022 9.672
152 H ALA 20 HN ALA 20 -4.144 -1.831 6.062
153 HA ALA 20 HA ALA 20 -3.584 -0.237 8.457
154 1HB ALA 20 HB1 ALA 20 -2.579 1.258 6.598
155 2HB ALA 20 HB2 ALA 20 -3.029 -0.040 5.493
156 3HB ALA 20 HB3 ALA 20 -1.886 -0.350 6.799
157 H ILE 21 HN ILE 21 -5.420 0.321 5.422
158 HA ILE 21 HA ILE 21 -6.804 2.603 6.770
159 HB ILE 21 HB ILE 21 -7.180 3.404 4.534
160 1HG1 ILE 21 HG12 ILE 21 -6.354 0.604 3.714
161 2HG1 ILE 21 HG11 ILE 21 -7.916 1.381 3.449
162 1HG2 ILE 21 HG21 ILE 21 -5.021 3.998 4.278
163 2HG2 ILE 21 HG22 ILE 21 -4.569 2.354 3.824
164 3HG2 ILE 21 HG23 ILE 21 -4.615 2.818 5.524
165 1HD1 ILE 21 HD11 ILE 21 -6.501 1.381 1.398
166 2HD1 ILE 21 HD12 ILE 21 -5.292 2.331 2.262
167 3HD1 ILE 21 HD13 ILE 21 -6.888 3.012 1.945
168 H GLY 22 HN GLY 22 -7.372 -0.425 4.998
169 1HA GLY 22 HA2 GLY 22 -9.289 -1.823 5.706
170 2HA GLY 22 HA1 GLY 22 -10.197 -0.334 5.972
171 H LYS 23 HN LYS 23 -8.183 -0.496 3.159
172 HA LYS 23 HA LYS 23 -10.607 -1.022 1.470
173 1HB LYS 23 HB2 LYS 23 -8.383 1.014 1.099
174 2HB LYS 23 HB1 LYS 23 -9.715 0.754 -0.027
175 1HG LYS 23 HG2 LYS 23 -10.624 1.144 2.729
176 2HG LYS 23 HG1 LYS 23 -9.741 2.533 2.094
177 1HD LYS 23 HD2 LYS 23 -11.996 2.912 1.453
178 2HD LYS 23 HD1 LYS 23 -11.213 2.297 -0.002
179 1HE LYS 23 HE2 LYS 23 -12.187 0.089 1.606
180 2HE LYS 23 HE1 LYS 23 -13.503 1.222 1.237
181 1HZ LYS 23 HZ1 LYS 23 -11.637 -0.076 -0.665
182 2HZ LYS 23 HZ2 LYS 23 -12.586 1.267 -1.090
183 3HZ LYS 23 HZ3 LYS 23 -13.328 -0.192 -0.629
184 H ALA 24 HN ALA 24 -8.631 -0.489 -0.848
185 HA ALA 24 HA ALA 24 -6.554 -2.461 -0.770
186 1HB ALA 24 HB1 ALA 24 -7.725 -4.374 -1.043
187 2HB ALA 24 HB2 ALA 24 -8.535 -3.707 -2.461
188 3HB ALA 24 HB3 ALA 24 -9.213 -3.445 -0.854
189 H ALA 25 HN ALA 25 -6.626 0.080 -1.859
190 HA ALA 25 HA ALA 25 -6.400 -0.503 -4.783
191 1HB ALA 25 HB1 ALA 25 -7.354 2.163 -4.378
192 2HB ALA 25 HB2 ALA 25 -8.374 1.077 -3.435
193 3HB ALA 25 HB3 ALA 25 -8.184 0.824 -5.170
194 H GLY 26 HN GLY 26 -4.131 -0.357 -4.799
195 1HA GLY 26 HA2 GLY 26 -2.889 2.164 -4.982
196 2HA GLY 26 HA1 GLY 26 -2.625 1.601 -3.331
197 H LYS 27 HN LYS 27 -0.311 1.781 -4.450
198 HA LYS 27 HA LYS 27 0.416 -1.009 -5.219
199 1HB LYS 27 HB2 LYS 27 1.400 1.449 -6.688
200 2HB LYS 27 HB1 LYS 27 1.591 -0.237 -7.167
201 1HG LYS 27 HG2 LYS 27 -1.044 -0.248 -7.098
202 2HG LYS 27 HG1 LYS 27 -0.857 1.497 -7.279
203 1HD LYS 27 HD2 LYS 27 0.514 -0.495 -9.098
204 2HD LYS 27 HD1 LYS 27 -1.068 0.196 -9.457
205 1HE LYS 27 HE2 LYS 27 1.476 1.797 -8.994
206 2HE LYS 27 HE1 LYS 27 0.702 1.514 -10.566
207 1HZ LYS 27 HZ1 LYS 27 -0.268 3.487 -9.917
208 2HZ LYS 27 HZ2 LYS 27 -0.283 3.073 -8.270
209 3HZ LYS 27 HZ3 LYS 27 -1.396 2.360 -9.338
210 H CYS 28 HN CYS 28 3.068 -0.797 -5.563
211 HA CYS 28 HA CYS 28 4.037 0.245 -2.943
212 1HB CYS 28 HB2 CYS 28 4.506 -2.059 -3.282
213 2HB CYS 28 HB1 CYS 28 4.949 -1.807 -4.969
214 H MET 29 HN MET 29 6.133 1.421 -2.926
215 HA MET 29 HA MET 29 6.962 2.593 -5.538
216 1HB MET 29 HB2 MET 29 5.111 3.872 -4.155
217 2HB MET 29 HB1 MET 29 6.487 4.389 -3.183
218 1HG MET 29 HG2 MET 29 7.095 4.609 -6.010
219 2HG MET 29 HG1 MET 29 5.636 5.515 -5.611
220 1HE MET 29 HE1 MET 29 5.896 7.607 -5.679
221 2HE MET 29 HE2 MET 29 6.948 8.678 -4.758
222 3HE MET 29 HE3 MET 29 5.678 7.779 -3.933
223 H ASN 30 HN ASN 30 9.050 1.688 -5.359
224 HA ASN 30 HA ASN 30 11.269 1.475 -4.568
225 1HB ASN 30 HB2 ASN 30 11.025 3.907 -5.030
226 2HB ASN 30 HB1 ASN 30 10.487 4.150 -3.368
227 1HD2 ASN 30 HD21 ASN 30 13.161 2.117 -4.685
228 2HD2 ASN 30 HD22 ASN 30 14.372 2.844 -3.743
229 H GLY 31 HN GLY 31 9.034 0.457 -2.813
230 1HA GLY 31 HA2 GLY 31 9.431 -0.830 -0.781
231 2HA GLY 31 HA1 GLY 31 10.627 0.372 -0.296
232 H LYS 32 HN LYS 32 7.661 1.566 -1.603
233 HA LYS 32 HA LYS 32 6.635 2.108 1.161
234 1HB LYS 32 HB2 LYS 32 6.842 4.008 -1.203
235 2HB LYS 32 HB1 LYS 32 6.144 4.409 0.366
236 1HG LYS 32 HG2 LYS 32 8.177 4.766 1.274
237 2HG LYS 32 HG1 LYS 32 8.787 3.231 0.656
238 1HD LYS 32 HD2 LYS 32 9.954 4.320 -0.926
239 2HD LYS 32 HD1 LYS 32 8.460 5.008 -1.560
240 1HE LYS 32 HE2 LYS 32 9.189 7.035 -0.851
241 2HE LYS 32 HE1 LYS 32 9.025 6.446 0.816
242 1HZ LYS 32 HZ1 LYS 32 11.261 6.804 0.777
243 2HZ LYS 32 HZ2 LYS 32 11.398 6.541 -0.896
244 3HZ LYS 32 HZ3 LYS 32 11.250 5.222 0.166
245 H CYS 33 HN CYS 33 4.255 2.691 1.109
246 HA CYS 33 HA CYS 33 2.894 1.197 -1.103
247 1HB CYS 33 HB2 CYS 33 2.911 0.598 1.482
248 2HB CYS 33 HB1 CYS 33 1.634 1.812 1.542
249 H LYS 34 HN LYS 34 1.479 2.295 -2.373
250 HA LYS 34 HA LYS 34 0.661 5.066 -1.550
251 1HB LYS 34 HB2 LYS 34 0.475 4.084 -4.372
252 2HB LYS 34 HB1 LYS 34 0.893 5.686 -3.778
253 1HG LYS 34 HG2 LYS 34 3.127 5.017 -3.258
254 2HG LYS 34 HG1 LYS 34 2.736 3.307 -3.448
255 1HD LYS 34 HD2 LYS 34 3.818 3.863 -5.475
256 2HD LYS 34 HD1 LYS 34 2.102 3.917 -5.877
257 1HE LYS 34 HE2 LYS 34 2.958 6.491 -4.853
258 2HE LYS 34 HE1 LYS 34 3.960 6.002 -6.234
259 1HZ LYS 34 HZ1 LYS 34 2.076 5.629 -7.557
260 2HZ LYS 34 HZ2 LYS 34 1.772 7.114 -6.790
261 3HZ LYS 34 HZ3 LYS 34 1.016 5.697 -6.235
262 H CYS 35 HN CYS 35 -1.306 4.396 -0.456
263 HA CYS 35 HA CYS 35 -3.313 3.039 -2.227
264 1HB CYS 35 HB2 CYS 35 -2.876 3.095 0.768
265 2HB CYS 35 HB1 CYS 35 -4.336 2.433 0.031
266 H TYR 36 HN TYR 36 -5.599 3.749 -1.827
267 HA TYR 36 HA TYR 36 -5.707 6.705 -1.423
268 1HB TYR 36 HB2 TYR 36 -7.056 4.648 -3.064
269 2HB TYR 36 HB1 TYR 36 -8.126 5.902 -2.436
270 HD1 TYR 36 HD1 TYR 36 -4.537 6.450 -3.122
271 HD2 TYR 36 HD2 TYR 36 -8.550 6.985 -4.562
272 HE1 TYR 36 HE1 TYR 36 -3.708 8.026 -4.847
273 HE2 TYR 36 HE2 TYR 36 -7.719 8.562 -6.288
274 HH TYR 36 HH TYR 36 -4.375 8.919 -6.989
275 HA PRO 37 HA PRO 37 -7.933 6.408 2.362
276 1HB PRO 37 HB2 PRO 37 -9.879 8.389 1.612
277 2HB PRO 37 HB1 PRO 37 -8.442 8.603 2.617
278 1HG PRO 37 HG2 PRO 37 -8.875 9.555 -0.056
279 2HG PRO 37 HG1 PRO 37 -7.440 9.761 0.952
280 1HD PRO 37 HD2 PRO 37 -7.745 8.074 -1.371
281 2HD PRO 37 HD1 PRO 37 -6.298 8.282 -0.352