Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1294 | 1ag7 RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H ALA 1 1H ALA 1 7.514 9.464 0.497
2 2H ALA 1 3H ALA 1 6.157 9.541 1.520
3 3H ALA 1 2H ALA 1 7.661 10.125 2.055
4 HA ALA 1 HA ALA 1 7.745 8.130 3.065
5 1HB ALA 1 3HB ALA 1 6.001 7.164 0.761
6 2HB ALA 1 2HB ALA 1 6.671 6.061 1.952
7 3HB ALA 1 1HB ALA 1 5.548 7.313 2.450
8 H CYS 2 H CYS 2 9.446 6.794 2.979
9 HA CYS 2 HA CYS 2 11.560 7.132 1.177
10 1HB CYS 2 2HB CYS 2 12.405 4.979 2.264
11 2HB CYS 2 1HB CYS 2 12.044 6.268 3.360
12 H SER 3 H SER 3 12.697 5.125 0.207
13 HA SER 3 HA SER 3 10.936 4.032 -1.924
14 1HB SER 3 2HB SER 3 12.781 4.897 -3.069
15 2HB SER 3 1HB SER 3 13.866 4.725 -1.688
16 HG SER 3 HG SER 3 12.913 2.673 -3.356
17 H GLY 4 H GLY 4 11.232 1.782 -2.554
18 1HA GLY 4 2HA GLY 4 11.810 -0.030 -0.238
19 2HA GLY 4 1HA GLY 4 10.567 -0.326 -1.462
20 H ARG 5 H ARG 5 12.328 -2.298 -1.134
21 HA ARG 5 HA ARG 5 14.686 -2.041 -2.752
22 1HB ARG 5 2HB ARG 5 14.163 -3.785 -0.882
23 2HB ARG 5 1HB ARG 5 13.260 -4.663 -2.094
24 1HG ARG 5 2HG ARG 5 15.648 -4.221 -3.444
25 2HG ARG 5 1HG ARG 5 16.217 -4.307 -1.789
26 1HD ARG 5 2HD ARG 5 14.495 -6.428 -3.129
27 2HD ARG 5 1HD ARG 5 16.232 -6.545 -2.860
28 HE ARG 5 HE ARG 5 15.410 -6.096 -0.336
29 1HH1 ARG 5 2HH1 ARG 5 12.630 -6.851 -1.098
30 2HH1 ARG 5 1HH1 ARG 5 12.605 -8.554 -0.777
31 1HH2 ARG 5 1HH2 ARG 5 16.098 -8.753 -0.682
32 2HH2 ARG 5 2HH2 ARG 5 14.640 -9.685 -0.538
33 H GLY 6 H GLY 6 13.867 -1.102 -4.621
34 1HA GLY 6 2HA GLY 6 13.662 -2.512 -6.937
35 2HA GLY 6 1HA GLY 6 11.997 -2.490 -6.401
36 H SER 7 H SER 7 13.137 0.258 -5.143
37 HA SER 7 HA SER 7 12.689 1.899 -7.614
38 1HB SER 7 2HB SER 7 11.704 3.566 -5.663
39 2HB SER 7 1HB SER 7 10.660 2.400 -6.481
40 HG SER 7 HG SER 7 11.997 2.159 -4.031
41 H ARG 8 H ARG 8 13.940 3.789 -7.723
42 HA ARG 8 HA ARG 8 16.443 3.667 -6.237
43 1HB ARG 8 2HB ARG 8 17.074 5.591 -7.723
44 2HB ARG 8 1HB ARG 8 16.489 4.197 -8.578
45 1HG ARG 8 2HG ARG 8 14.270 6.010 -7.903
46 2HG ARG 8 1HG ARG 8 15.517 6.849 -8.784
47 1HD ARG 8 2HD ARG 8 14.090 4.320 -9.708
48 2HD ARG 8 1HD ARG 8 13.938 5.925 -10.410
49 HE ARG 8 HE ARG 8 16.451 4.297 -10.486
50 1HH1 ARG 8 2HH1 ARG 8 15.416 7.365 -11.213
51 2HH1 ARG 8 1HH1 ARG 8 15.872 7.322 -12.884
52 1HH2 ARG 8 1HH2 ARG 8 16.562 3.894 -12.816
53 2HH2 ARG 8 2HH2 ARG 8 16.535 5.306 -13.818
54 H CYS 9 H CYS 9 17.237 6.177 -5.933
55 HA CYS 9 HA CYS 9 15.399 7.357 -3.964
56 1HB CYS 9 2HB CYS 9 17.180 7.778 -2.475
57 2HB CYS 9 1HB CYS 9 17.375 6.135 -2.998
58 HA HYP 10 HA HYP 10 15.239 9.006 -2.800
59 1HB HYP 10 1HB HYP 10 15.051 11.066 -1.930
60 2HB HYP 10 2HB HYP 10 13.644 11.335 -2.930
61 1HD HYP 10 1HD1 HYP 10 17.311 11.401 -4.924
62 2HD HYP 10 2HD1 HYP 10 15.851 11.417 -5.920
63 HOD HYP 10 HD2 HYP 10 16.824 13.398 -3.359
64 HG HYP 10 HG HYP 10 14.949 12.858 -4.277
65 HA HYP 11 HA HYP 11 12.679 9.944 -1.668
66 1HB HYP 11 1HB HYP 11 10.621 9.212 -1.144
67 2HB HYP 11 2HB HYP 11 11.330 7.658 -0.743
68 1HD HYP 11 1HD1 HYP 11 10.764 9.061 -4.495
69 2HD HYP 11 2HD1 HYP 11 11.530 7.474 -4.700
70 HOD HYP 11 HD2 HYP 11 8.952 8.126 -1.888
71 HG HYP 11 HG HYP 11 10.576 6.656 -2.707
72 H GLN 12 H GLN 12 14.126 9.568 -0.078
73 HA GLN 12 HA GLN 12 16.351 7.921 -0.381
74 1HB GLN 12 2HB GLN 12 15.056 8.836 2.230
75 2HB GLN 12 1HB GLN 12 16.705 8.248 2.087
76 1HG GLN 12 2HG GLN 12 17.226 10.116 0.499
77 2HG GLN 12 1HG GLN 12 15.586 10.724 0.681
78 1HE2 GLN 12 2HE2 GLN 12 16.149 12.106 3.898
79 2HE2 GLN 12 1HE2 GLN 12 14.969 11.622 2.778
80 H CYS 13 H CYS 13 16.680 5.744 -0.154
81 HA CYS 13 HA CYS 13 14.545 3.929 0.093
82 1HB CYS 13 2HB CYS 13 17.179 2.976 1.072
83 2HB CYS 13 1HB CYS 13 16.064 2.295 -0.065
84 H CYS 14 H CYS 14 13.599 2.890 1.625
85 HA CYS 14 HA CYS 14 13.321 3.878 4.223
86 1HB CYS 14 2HB CYS 14 12.720 1.121 3.136
87 2HB CYS 14 1HB CYS 14 12.089 1.728 4.634
88 H MET 15 H MET 15 13.508 2.438 6.204
89 HA MET 15 HA MET 15 16.197 2.141 6.925
90 1HB MET 15 2HB MET 15 14.212 2.381 8.489
91 2HB MET 15 1HB MET 15 13.803 0.710 8.172
92 1HG MET 15 2HG MET 15 15.217 0.076 9.793
93 2HG MET 15 1HG MET 15 16.561 0.710 8.898
94 1HE MET 15 3HE MET 15 18.118 2.345 9.697
95 2HE MET 15 2HE MET 15 16.986 3.544 9.026
96 3HE MET 15 1HE MET 15 17.683 3.767 10.622
97 H GLY 16 H GLY 16 17.643 0.647 6.616
98 1HA GLY 16 2HA GLY 16 18.441 -1.615 6.578
99 2HA GLY 16 1HA GLY 16 16.882 -2.121 5.951
100 H LEU 17 H LEU 17 16.874 0.176 4.008
101 HA LEU 17 HA LEU 17 18.525 -1.148 1.988
102 1HB LEU 17 2HB LEU 17 16.237 0.809 1.831
103 2HB LEU 17 1HB LEU 17 17.273 0.569 0.447
104 HG LEU 17 HG LEU 17 16.644 -2.056 1.307
105 1HD1 LEU 17 1HD1 LEU 17 14.191 -0.277 1.139
106 2HD1 LEU 17 3HD1 LEU 17 14.168 -2.034 1.113
107 3HD1 LEU 17 2HD1 LEU 17 14.716 -1.186 2.557
108 1HD2 LEU 17 1HD2 LEU 17 16.896 -0.838 -1.060
109 2HD2 LEU 17 3HD2 LEU 17 16.017 -2.334 -0.875
110 3HD2 LEU 17 2HD2 LEU 17 15.152 -0.806 -0.962
111 H ARG 18 H ARG 18 19.460 0.088 0.357
112 HA ARG 18 HA ARG 18 20.692 2.697 0.984
113 1HB ARG 18 2HB ARG 18 22.816 1.537 -0.118
114 2HB ARG 18 1HB ARG 18 22.538 1.418 1.604
115 1HG ARG 18 2HG ARG 18 21.719 -0.811 1.401
116 2HG ARG 18 1HG ARG 18 21.447 -0.660 -0.319
117 1HD ARG 18 2HD ARG 18 23.986 -0.410 -0.607
118 2HD ARG 18 1HD ARG 18 24.140 -0.881 1.086
119 HE ARG 18 HE ARG 18 22.502 -2.794 -0.273
120 1HH1 ARG 18 1HH2 ARG 18 25.199 -1.824 -1.760
121 2HH1 ARG 18 2HH2 ARG 18 26.155 -3.238 -1.463
122 1HH2 ARG 18 2HH1 ARG 18 23.886 -4.524 0.867
123 2HH2 ARG 18 1HH1 ARG 18 25.405 -4.802 0.079
124 H CYS 19 H CYS 19 21.244 3.773 -0.859
125 HA CYS 19 HA CYS 19 19.629 3.201 -3.211
126 1HB CYS 19 2HB CYS 19 20.290 5.472 -2.174
127 2HB CYS 19 1HB CYS 19 21.776 5.323 -3.062
128 H GLY 20 H GLY 20 20.301 1.400 -4.351
129 1HA GLY 20 2HA GLY 20 23.081 0.890 -5.019
130 2HA GLY 20 1HA GLY 20 21.675 0.027 -5.638
131 H ARG 21 H ARG 21 24.069 2.230 -6.414
132 HA ARG 21 HA ARG 21 22.794 3.814 -8.388
133 1HB ARG 21 2HB ARG 21 25.173 4.158 -9.208
134 2HB ARG 21 1HB ARG 21 24.911 4.529 -7.520
135 1HG ARG 21 2HG ARG 21 26.200 2.779 -6.759
136 2HG ARG 21 1HG ARG 21 25.739 1.698 -8.054
137 1HD ARG 21 2HD ARG 21 27.394 4.047 -8.918
138 2HD ARG 21 1HD ARG 21 28.203 2.892 -7.874
139 HE ARG 21 HE ARG 21 28.337 1.509 -9.741
140 1HH1 ARG 21 2HH1 ARG 21 26.228 0.132 -10.320
141 2HH1 ARG 21 1HH1 ARG 21 25.360 0.875 -11.620
142 1HH2 ARG 21 1HH2 ARG 21 26.960 3.961 -11.192
143 2HH2 ARG 21 2HH2 ARG 21 25.783 3.102 -12.127
144 H GLY 22 H GLY 22 23.218 3.726 -10.691
145 1HA GLY 22 2HA GLY 22 24.112 2.099 -12.520
146 2HA GLY 22 1HA GLY 22 22.988 0.953 -11.783
147 H ASN 23 H ASN 23 22.308 1.164 -14.192
148 HA ASN 23 HA ASN 23 20.103 3.155 -14.328
149 1HB ASN 23 2HB ASN 23 20.661 2.954 -16.927
150 2HB ASN 23 1HB ASN 23 21.515 4.111 -15.921
151 1HD2 ASN 23 2HD2 ASN 23 24.617 2.369 -16.108
152 2HD2 ASN 23 1HD2 ASN 23 23.727 3.515 -15.228
153 HA PRO 24 HA PRO 24 18.119 3.166 -14.306
154 1HB PRO 24 2HB PRO 24 15.923 1.926 -13.161
155 2HB PRO 24 1HB PRO 24 15.976 2.695 -14.738
156 1HG PRO 24 2HG PRO 24 15.867 -0.186 -14.114
157 2HG PRO 24 1HG PRO 24 15.573 0.617 -15.650
158 1HD PRO 24 2HD PRO 24 17.946 -0.840 -14.869
159 2HD PRO 24 1HD PRO 24 17.677 0.030 -16.388
160 H GLN 25 H GLN 25 18.401 3.984 -12.273
161 HA GLN 25 HA GLN 25 19.927 2.579 -10.312
162 1HB GLN 25 2HB GLN 25 18.220 5.101 -10.101
163 2HB GLN 25 1HB GLN 25 19.170 4.502 -8.756
164 1HG GLN 25 2HG GLN 25 21.216 4.625 -10.264
165 2HG GLN 25 1HG GLN 25 20.203 5.445 -11.453
166 1HE2 GLN 25 2HE2 GLN 25 21.658 7.503 -8.317
167 2HE2 GLN 25 1HE2 GLN 25 22.095 5.892 -8.626
168 H LYS 26 H LYS 26 19.310 1.736 -8.252
169 HA LYS 26 HA LYS 26 16.501 1.524 -7.512
170 1HB LYS 26 2HB LYS 26 16.709 -0.224 -9.297
171 2HB LYS 26 1HB LYS 26 17.985 -0.994 -8.373
172 1HG LYS 26 2HG LYS 26 16.015 -0.917 -6.467
173 2HG LYS 26 1HG LYS 26 15.048 -0.890 -7.921
174 1HD LYS 26 2HD LYS 26 17.288 -2.924 -7.582
175 2HD LYS 26 1HD LYS 26 15.716 -3.219 -6.880
176 1HE LYS 26 2HE LYS 26 14.633 -3.096 -9.071
177 2HE LYS 26 1HE LYS 26 16.125 -2.566 -9.832
178 1HZ LYS 26 3HZ LYS 26 15.716 -5.177 -8.502
179 2HZ LYS 26 2HZ LYS 26 15.722 -4.905 -10.180
180 3HZ LYS 26 1HZ LYS 26 17.138 -4.659 -9.274
181 H CYS 27 H CYS 27 16.284 1.238 -5.311
182 HA CYS 27 HA CYS 27 18.662 1.092 -3.722
183 1HB CYS 27 2HB CYS 27 15.761 0.836 -2.810
184 2HB CYS 27 1HB CYS 27 17.159 1.083 -1.829
185 H ILE 28 H ILE 28 19.256 -0.585 -2.376
186 HA ILE 28 HA ILE 28 17.944 -3.239 -2.660
187 HB ILE 28 HB ILE 28 20.178 -4.266 -2.841
188 1HG1 ILE 28 2HG1 ILE 28 21.281 -2.294 -1.545
189 2HG1 ILE 28 1HG1 ILE 28 22.172 -3.120 -2.756
190 1HG2 ILE 28 3HG2 ILE 28 19.692 -2.154 -4.983
191 2HG2 ILE 28 2HG2 ILE 28 20.846 -3.467 -5.129
192 3HG2 ILE 28 1HG2 ILE 28 19.137 -3.816 -4.974
193 1HD1 ILE 28 3HD1 ILE 28 20.726 -0.714 -3.703
194 2HD1 ILE 28 2HD1 ILE 28 22.075 -0.466 -2.608
195 3HD1 ILE 28 1HD1 ILE 28 22.319 -1.336 -4.110
196 H GLY 29 H GLY 29 19.398 -4.603 -0.867
197 1HA GLY 29 2HA GLY 29 18.986 -3.045 1.595
198 2HA GLY 29 1HA GLY 29 19.019 -4.767 1.518
199 H ALA 30 H ALA 30 20.509 -2.620 3.013
200 HA ALA 30 HA ALA 30 23.329 -2.867 2.260
201 1HB ALA 30 1HB ALA 30 21.723 -1.278 4.154
202 2HB ALA 30 3HB ALA 30 23.190 -1.879 4.907
203 3HB ALA 30 2HB ALA 30 23.287 -0.907 3.452
204 H HIS 31 H HIS 31 21.158 -4.010 4.729
205 HA HIS 31 HA HIS 31 23.152 -5.877 5.846
206 1HB HIS 31 2HB HIS 31 21.341 -4.479 7.184
207 2HB HIS 31 1HB HIS 31 20.219 -5.736 6.684
208 HD1 HIS 31 HD1 HIS 31 23.330 -5.323 8.708
209 HD2 HIS 31 HD2 HIS 31 20.495 -8.184 8.037
210 HE1 HIS 31 HE1 HIS 31 23.739 -7.108 10.360
211 1HN CGU 32 HN CGU 32 22.208 -6.097 3.179
212 HA CGU 32 HA CGU 32 21.095 -8.872 3.132
213 1HB CGU 32 1HB CGU 32 20.666 -6.491 1.267
214 2HB CGU 32 2HB CGU 32 19.422 -7.342 2.145
215 HG CGU 32 HG CGU 32 21.066 -8.423 -0.177
216 H ASP 33 H ASP 33 23.184 -9.504 3.405
217 HA ASP 33 HA ASP 33 25.179 -8.898 1.296
218 1HB ASP 33 2HB ASP 33 25.535 -10.270 3.995
219 2HB ASP 33 1HB ASP 33 26.803 -9.640 2.960
220 H VAL 34 H VAL 34 22.994 -10.542 0.753
221 HA VAL 34 HA VAL 34 24.358 -13.105 0.084
222 HB VAL 34 HB VAL 34 21.381 -13.023 0.738
223 1HG1 VAL 34 1HG1 VAL 34 22.313 -14.995 -0.455
224 2HG1 VAL 34 3HG1 VAL 34 23.469 -15.239 0.845
225 3HG1 VAL 34 2HG1 VAL 34 21.748 -15.429 1.148
226 1HG2 VAL 34 3HG2 VAL 34 23.662 -13.404 2.726
227 2HG2 VAL 34 2HG2 VAL 34 22.404 -12.179 2.787
228 3HG2 VAL 34 1HG2 VAL 34 21.998 -13.865 3.050
No H/Q in entry = 228
Start of MODEL 2
1 1H ALA 1 1H ALA 1 7.315 9.372 0.527
2 2H ALA 1 3H ALA 1 5.958 9.395 1.555
3 3H ALA 1 2H ALA 1 7.415 10.118 2.051
4 HA ALA 1 HA ALA 1 7.706 8.203 3.142
5 1HB ALA 1 1HB ALA 1 6.044 6.846 0.966
6 2HB ALA 1 3HB ALA 1 6.640 6.052 2.415
7 3HB ALA 1 2HB ALA 1 5.448 7.334 2.544
8 H CYS 2 H CYS 2 9.335 6.715 3.014
9 HA CYS 2 HA CYS 2 11.434 7.103 1.179
10 1HB CYS 2 2HB CYS 2 12.349 4.997 2.244
11 2HB CYS 2 1HB CYS 2 11.886 6.197 3.401
12 H SER 3 H SER 3 12.530 5.085 0.188
13 HA SER 3 HA SER 3 10.672 3.947 -1.859
14 1HB SER 3 2HB SER 3 13.626 4.647 -1.869
15 2HB SER 3 1HB SER 3 12.989 3.507 -3.054
16 HG SER 3 HG SER 3 12.842 5.594 -3.770
17 H GLY 4 H GLY 4 10.773 1.754 -2.369
18 1HA GLY 4 2HA GLY 4 11.824 -0.005 -0.193
19 2HA GLY 4 1HA GLY 4 10.552 -0.424 -1.337
20 H ARG 5 H ARG 5 12.454 -2.263 -1.121
21 HA ARG 5 HA ARG 5 14.742 -1.898 -2.825
22 1HB ARG 5 2HB ARG 5 14.574 -3.687 -1.088
23 2HB ARG 5 1HB ARG 5 13.309 -4.470 -2.012
24 1HG ARG 5 2HG ARG 5 14.769 -5.162 -3.718
25 2HG ARG 5 1HG ARG 5 15.919 -3.883 -3.419
26 1HD ARG 5 2HD ARG 5 16.861 -6.030 -2.643
27 2HD ARG 5 1HD ARG 5 16.558 -4.999 -1.247
28 HE ARG 5 HE ARG 5 14.813 -6.444 -0.584
29 1HH1 ARG 5 2HH1 ARG 5 13.475 -6.664 -3.254
30 2HH1 ARG 5 1HH1 ARG 5 13.684 -8.340 -3.633
31 1HH2 ARG 5 1HH2 ARG 5 16.194 -8.773 -1.238
32 2HH2 ARG 5 2HH2 ARG 5 15.268 -9.572 -2.466
33 H GLY 6 H GLY 6 14.069 -1.001 -4.698
34 1HA GLY 6 2HA GLY 6 13.709 -2.305 -7.012
35 2HA GLY 6 1HA GLY 6 12.057 -2.291 -6.430
36 H SER 7 H SER 7 13.088 0.363 -5.067
37 HA SER 7 HA SER 7 12.570 2.151 -7.411
38 1HB SER 7 2HB SER 7 11.660 2.375 -4.490
39 2HB SER 7 1HB SER 7 11.524 3.706 -5.656
40 HG SER 7 HG SER 7 10.523 1.074 -5.990
41 H ARG 8 H ARG 8 13.832 3.971 -7.549
42 HA ARG 8 HA ARG 8 16.435 3.848 -6.202
43 1HB ARG 8 2HB ARG 8 16.974 5.782 -7.737
44 2HB ARG 8 1HB ARG 8 16.419 4.354 -8.563
45 1HG ARG 8 2HG ARG 8 14.233 6.195 -7.803
46 2HG ARG 8 1HG ARG 8 15.408 6.895 -8.886
47 1HD ARG 8 2HD ARG 8 14.930 5.390 -10.630
48 2HD ARG 8 1HD ARG 8 14.424 4.113 -9.528
49 HE ARG 8 HE ARG 8 12.283 5.138 -9.325
50 1HH1 ARG 8 2HH1 ARG 8 12.847 7.975 -9.354
51 2HH1 ARG 8 1HH1 ARG 8 12.383 8.491 -10.943
52 1HH2 ARG 8 1HH2 ARG 8 12.391 5.229 -12.223
53 2HH2 ARG 8 2HH2 ARG 8 12.112 6.894 -12.609
54 H CYS 9 H CYS 9 17.265 6.273 -5.910
55 HA CYS 9 HA CYS 9 15.529 7.458 -3.850
56 1HB CYS 9 2HB CYS 9 17.625 8.249 -2.781
57 2HB CYS 9 1HB CYS 9 17.476 6.515 -2.863
58 HA HYP 10 HA HYP 10 15.061 9.101 -2.884
59 1HB HYP 10 1HB HYP 10 14.638 11.123 -2.112
60 2HB HYP 10 2HB HYP 10 13.232 11.208 -3.145
61 1HD HYP 10 1HD1 HYP 10 16.869 11.592 -5.171
62 2HD HYP 10 2HD1 HYP 10 15.385 11.393 -6.114
63 HOD HYP 10 HD2 HYP 10 16.553 13.282 -3.796
64 HG HYP 10 HG HYP 10 14.413 12.843 -4.507
65 HA HYP 11 HA HYP 11 12.537 9.819 -1.734
66 1HB HYP 11 1HB HYP 11 10.618 8.994 -0.968
67 2HB HYP 11 2HB HYP 11 11.314 7.384 -0.882
68 1HD HYP 11 1HD1 HYP 11 10.597 9.013 -4.550
69 2HD HYP 11 2HD1 HYP 11 11.254 7.376 -4.701
70 HOD HYP 11 HD2 HYP 11 8.844 8.396 -1.796
71 HG HYP 11 HG HYP 11 10.106 6.708 -2.754
72 H GLN 12 H GLN 12 13.928 9.441 -0.089
73 HA GLN 12 HA GLN 12 16.242 7.925 -0.485
74 1HB GLN 12 2HB GLN 12 16.588 8.161 2.012
75 2HB GLN 12 1HB GLN 12 16.160 9.670 1.232
76 1HG GLN 12 2HG GLN 12 13.639 8.837 1.918
77 2HG GLN 12 1HG GLN 12 14.550 7.977 3.146
78 1HE2 GLN 12 2HE2 GLN 12 15.239 10.873 5.018
79 2HE2 GLN 12 1HE2 GLN 12 15.426 9.191 4.872
80 H CYS 13 H CYS 13 16.743 5.761 -0.149
81 HA CYS 13 HA CYS 13 14.630 3.878 -0.003
82 1HB CYS 13 2HB CYS 13 17.307 3.055 1.010
83 2HB CYS 13 1HB CYS 13 16.202 2.263 -0.065
84 H CYS 14 H CYS 14 13.673 2.868 1.537
85 HA CYS 14 HA CYS 14 13.357 3.868 4.124
86 1HB CYS 14 2HB CYS 14 12.806 1.053 3.138
87 2HB CYS 14 1HB CYS 14 12.110 1.781 4.560
88 H MET 15 H MET 15 13.560 2.470 6.124
89 HA MET 15 HA MET 15 16.236 2.234 6.881
90 1HB MET 15 2HB MET 15 14.271 2.450 8.428
91 2HB MET 15 1HB MET 15 13.844 0.784 8.097
92 1HG MET 15 2HG MET 15 15.918 -0.008 9.072
93 2HG MET 15 1HG MET 15 16.549 1.611 9.196
94 1HE MET 15 1HE MET 15 15.074 3.483 10.634
95 2HE MET 15 3HE MET 15 15.199 3.060 12.330
96 3HE MET 15 2HE MET 15 16.618 2.904 11.307
97 H GLY 16 H GLY 16 17.733 0.746 6.701
98 1HA GLY 16 2HA GLY 16 18.647 -1.444 6.652
99 2HA GLY 16 1HA GLY 16 17.092 -2.057 6.110
100 H LEU 17 H LEU 17 16.933 0.169 4.091
101 HA LEU 17 HA LEU 17 18.454 -1.188 2.016
102 1HB LEU 17 2HB LEU 17 16.480 1.111 1.833
103 2HB LEU 17 1HB LEU 17 17.201 0.342 0.451
104 HG LEU 17 HG LEU 17 15.162 -0.785 2.378
105 1HD1 LEU 17 1HD1 LEU 17 14.335 0.656 0.603
106 2HD1 LEU 17 3HD1 LEU 17 15.091 -0.367 -0.610
107 3HD1 LEU 17 2HD1 LEU 17 13.793 -0.998 0.393
108 1HD2 LEU 17 2HD2 LEU 17 16.853 -2.613 1.777
109 2HD2 LEU 17 1HD2 LEU 17 15.229 -2.920 1.203
110 3HD2 LEU 17 3HD2 LEU 17 16.442 -2.333 0.088
111 H ARG 18 H ARG 18 19.409 0.021 0.343
112 HA ARG 18 HA ARG 18 20.672 2.623 0.895
113 1HB ARG 18 2HB ARG 18 22.803 1.454 -0.118
114 2HB ARG 18 1HB ARG 18 22.498 1.360 1.601
115 1HG ARG 18 2HG ARG 18 21.701 -0.888 1.409
116 2HG ARG 18 1HG ARG 18 21.443 -0.747 -0.309
117 1HD ARG 18 2HD ARG 18 24.037 -0.402 -0.483
118 2HD ARG 18 1HD ARG 18 24.079 -1.126 1.123
119 HE ARG 18 HE ARG 18 22.434 -2.750 -0.524
120 1HH1 ARG 18 2HH1 ARG 18 25.296 -1.541 -1.639
121 2HH1 ARG 18 1HH1 ARG 18 26.143 -3.051 -1.704
122 1HH2 ARG 18 1HH2 ARG 18 23.621 -4.740 0.037
123 2HH2 ARG 18 2HH2 ARG 18 25.172 -4.932 -0.719
124 H CYS 19 H CYS 19 21.197 3.615 -0.991
125 HA CYS 19 HA CYS 19 19.669 2.784 -3.354
126 1HB CYS 19 2HB CYS 19 20.154 5.178 -2.338
127 2HB CYS 19 1HB CYS 19 21.546 5.124 -3.379
128 H GLY 20 H GLY 20 20.465 1.294 -4.712
129 1HA GLY 20 2HA GLY 20 23.393 1.093 -5.196
130 2HA GLY 20 1HA GLY 20 22.214 -0.126 -5.559
131 H ARG 21 H ARG 21 24.153 0.775 -7.291
132 HA ARG 21 HA ARG 21 24.454 1.070 -9.540
133 1HB ARG 21 2HB ARG 21 22.109 -0.148 -9.417
134 2HB ARG 21 1HB ARG 21 21.477 1.406 -9.857
135 1HG ARG 21 2HG ARG 21 23.733 0.686 -11.606
136 2HG ARG 21 1HG ARG 21 22.608 -0.646 -11.541
137 1HD ARG 21 2HD ARG 21 21.358 2.055 -11.946
138 2HD ARG 21 1HD ARG 21 22.354 1.467 -13.265
139 HE ARG 21 HE ARG 21 19.772 0.409 -12.444
140 1HH1 ARG 21 2HH1 ARG 21 20.261 -2.101 -12.418
141 2HH1 ARG 21 1HH1 ARG 21 20.759 -2.655 -13.982
142 1HH2 ARG 21 1HH2 ARG 21 21.515 0.568 -15.108
143 2HH2 ARG 21 2HH2 ARG 21 21.491 -1.110 -15.542
144 H GLY 22 H GLY 22 23.168 2.667 -11.391
145 1HA GLY 22 2HA GLY 22 23.371 5.436 -10.282
146 2HA GLY 22 1HA GLY 22 24.279 4.970 -11.711
147 H ASN 23 H ASN 23 22.521 3.531 -13.145
148 HA ASN 23 HA ASN 23 19.961 4.889 -13.345
149 1HB ASN 23 2HB ASN 23 22.031 6.193 -14.623
150 2HB ASN 23 1HB ASN 23 21.418 5.191 -15.926
151 1HD2 ASN 23 2HD2 ASN 23 18.106 6.728 -15.750
152 2HD2 ASN 23 1HD2 ASN 23 18.786 5.173 -15.842
153 HA PRO 24 HA PRO 24 18.080 4.453 -13.740
154 1HB PRO 24 2HB PRO 24 16.121 2.490 -13.577
155 2HB PRO 24 1HB PRO 24 16.241 3.738 -14.803
156 1HG PRO 24 2HG PRO 24 16.792 0.852 -15.086
157 2HG PRO 24 1HG PRO 24 16.573 2.057 -16.347
158 1HD PRO 24 2HD PRO 24 19.066 0.909 -15.462
159 2HD PRO 24 1HD PRO 24 18.851 2.190 -16.664
160 H GLN 25 H GLN 25 18.903 4.620 -11.718
161 HA GLN 25 HA GLN 25 19.948 2.666 -10.105
162 1HB GLN 25 2HB GLN 25 19.102 5.456 -9.853
163 2HB GLN 25 1HB GLN 25 18.746 4.603 -8.367
164 1HG GLN 25 2HG GLN 25 21.245 3.653 -8.938
165 2HG GLN 25 1HG GLN 25 21.393 5.267 -9.549
166 1HE2 GLN 25 2HE2 GLN 25 21.887 4.880 -5.704
167 2HE2 GLN 25 1HE2 GLN 25 22.239 3.732 -6.903
168 H LYS 26 H LYS 26 19.322 1.808 -8.108
169 HA LYS 26 HA LYS 26 16.503 1.496 -7.460
170 1HB LYS 26 2HB LYS 26 17.327 -0.213 -9.440
171 2HB LYS 26 1HB LYS 26 17.769 -1.172 -8.038
172 1HG LYS 26 2HG LYS 26 15.474 -0.912 -7.162
173 2HG LYS 26 1HG LYS 26 15.047 0.031 -8.578
174 1HD LYS 26 2HD LYS 26 14.324 -2.161 -9.162
175 2HD LYS 26 1HD LYS 26 15.863 -2.019 -9.979
176 1HE LYS 26 2HE LYS 26 16.960 -3.465 -8.472
177 2HE LYS 26 1HE LYS 26 15.835 -3.140 -7.164
178 1HZ LYS 26 3HZ LYS 26 15.009 -4.531 -9.629
179 2HZ LYS 26 2HZ LYS 26 15.658 -5.353 -8.292
180 3HZ LYS 26 1HZ LYS 26 14.215 -4.475 -8.128
181 H CYS 27 H CYS 27 16.314 1.270 -5.287
182 HA CYS 27 HA CYS 27 18.641 0.896 -3.682
183 1HB CYS 27 2HB CYS 27 15.734 0.729 -2.720
184 2HB CYS 27 1HB CYS 27 17.162 0.983 -1.793
185 H ILE 28 H ILE 28 19.128 -0.743 -2.330
186 HA ILE 28 HA ILE 28 17.782 -3.381 -2.530
187 HB ILE 28 HB ILE 28 20.104 -4.402 -2.621
188 1HG1 ILE 28 2HG1 ILE 28 21.048 -1.991 -1.827
189 2HG1 ILE 28 1HG1 ILE 28 22.027 -3.120 -2.695
190 1HG2 ILE 28 3HG2 ILE 28 19.311 -2.683 -5.004
191 2HG2 ILE 28 2HG2 ILE 28 20.467 -4.006 -5.053
192 3HG2 ILE 28 1HG2 ILE 28 18.787 -4.322 -4.663
193 1HD1 ILE 28 3HD1 ILE 28 20.462 -0.924 -4.011
194 2HD1 ILE 28 2HD1 ILE 28 22.127 -0.794 -3.468
195 3HD1 ILE 28 1HD1 ILE 28 21.700 -1.956 -4.723
196 H GLY 29 H GLY 29 19.425 -4.695 -0.784
197 1HA GLY 29 2HA GLY 29 19.052 -3.103 1.674
198 2HA GLY 29 1HA GLY 29 19.077 -4.829 1.629
199 H ALA 30 H ALA 30 20.610 -2.632 3.017
200 HA ALA 30 HA ALA 30 23.404 -2.961 2.215
201 1HB ALA 30 3HB ALA 30 22.009 -1.623 4.572
202 2HB ALA 30 2HB ALA 30 23.760 -1.692 4.452
203 3HB ALA 30 1HB ALA 30 22.832 -0.829 3.241
204 H HIS 31 H HIS 31 21.246 -3.979 4.729
205 HA HIS 31 HA HIS 31 23.207 -5.837 5.921
206 1HB HIS 31 2HB HIS 31 20.999 -4.330 6.917
207 2HB HIS 31 1HB HIS 31 20.444 -5.989 6.996
208 HD1 HIS 31 HD1 HIS 31 23.243 -3.866 8.245
209 HD2 HIS 31 HD2 HIS 31 21.635 -7.540 8.990
210 HE1 HIS 31 HE1 HIS 31 24.345 -4.704 10.286
211 1HN CGU 32 HN CGU 32 22.344 -6.208 3.277
212 HA CGU 32 HA CGU 32 21.255 -8.976 3.395
213 1HB CGU 32 1HB CGU 32 20.550 -6.828 1.321
214 2HB CGU 32 2HB CGU 32 19.485 -7.381 2.587
215 HG CGU 32 HG CGU 32 20.263 -9.780 1.442
216 H ASP 33 H ASP 33 23.281 -9.682 3.326
217 HA ASP 33 HA ASP 33 24.999 -9.064 0.970
218 1HB ASP 33 2HB ASP 33 25.620 -10.298 3.696
219 2HB ASP 33 1HB ASP 33 26.803 -10.007 2.438
220 H VAL 34 H VAL 34 22.816 -10.543 0.444
221 HA VAL 34 HA VAL 34 23.653 -13.396 0.420
222 HB VAL 34 HB VAL 34 20.940 -12.196 -0.316
223 1HG1 VAL 34 1HG1 VAL 34 21.814 -15.037 0.374
224 2HG1 VAL 34 3HG1 VAL 34 20.156 -14.540 0.084
225 3HG1 VAL 34 2HG1 VAL 34 21.329 -14.470 -1.215
226 1HG2 VAL 34 2HG2 VAL 34 21.905 -13.329 2.350
227 2HG2 VAL 34 1HG2 VAL 34 21.415 -11.669 2.048
228 3HG2 VAL 34 3HG2 VAL 34 20.228 -12.957 1.977
No H/Q in entry = 228
Start of MODEL 3
1 1H ALA 1 1H ALA 1 8.909 9.553 3.212
2 2H ALA 1 3H ALA 1 7.430 9.367 4.025
3 3H ALA 1 2H ALA 1 8.611 8.149 4.120
4 HA ALA 1 HA ALA 1 6.966 7.400 2.616
5 1HB ALA 1 1HB ALA 1 6.038 9.696 2.143
6 2HB ALA 1 3HB ALA 1 7.438 10.039 1.136
7 3HB ALA 1 2HB ALA 1 6.297 8.784 0.665
8 H CYS 2 H CYS 2 9.438 6.784 3.078
9 HA CYS 2 HA CYS 2 11.486 7.019 1.193
10 1HB CYS 2 2HB CYS 2 12.337 4.927 2.213
11 2HB CYS 2 1HB CYS 2 11.839 6.061 3.424
12 H SER 3 H SER 3 12.448 4.964 0.171
13 HA SER 3 HA SER 3 10.489 3.867 -1.817
14 1HB SER 3 2HB SER 3 13.343 4.799 -2.033
15 2HB SER 3 1HB SER 3 12.923 3.375 -2.978
16 HG SER 3 HG SER 3 11.483 4.457 -4.065
17 H GLY 4 H GLY 4 10.482 1.665 -2.193
18 1HA GLY 4 2HA GLY 4 11.709 -0.007 -0.060
19 2HA GLY 4 1HA GLY 4 10.420 -0.505 -1.152
20 H ARG 5 H ARG 5 12.352 -2.278 -0.934
21 HA ARG 5 HA ARG 5 14.601 -1.899 -2.686
22 1HB ARG 5 2HB ARG 5 14.190 -3.703 -0.812
23 2HB ARG 5 1HB ARG 5 13.387 -4.627 -2.058
24 1HG ARG 5 2HG ARG 5 16.123 -3.436 -2.612
25 2HG ARG 5 1HG ARG 5 16.023 -4.865 -1.624
26 1HD ARG 5 2HD ARG 5 14.933 -4.622 -4.468
27 2HD ARG 5 1HD ARG 5 16.388 -5.485 -3.988
28 HE ARG 5 HE ARG 5 14.477 -6.668 -2.420
29 1HH1 ARG 5 1HH2 ARG 5 12.631 -5.693 -4.642
30 2HH1 ARG 5 2HH2 ARG 5 12.547 -7.094 -5.656
31 1HH2 ARG 5 2HH1 ARG 5 15.358 -8.568 -4.164
32 2HH2 ARG 5 1HH1 ARG 5 14.141 -8.757 -5.383
33 H GLY 6 H GLY 6 13.997 -1.164 -4.573
34 1HA GLY 6 2HA GLY 6 13.602 -2.508 -6.854
35 2HA GLY 6 1HA GLY 6 11.940 -2.472 -6.262
36 H SER 7 H SER 7 13.087 0.231 -5.018
37 HA SER 7 HA SER 7 12.639 1.941 -7.429
38 1HB SER 7 2HB SER 7 11.555 2.274 -4.579
39 2HB SER 7 1HB SER 7 11.475 3.544 -5.815
40 HG SER 7 HG SER 7 10.508 1.903 -7.183
41 H ARG 8 H ARG 8 14.060 3.611 -7.630
42 HA ARG 8 HA ARG 8 16.504 3.526 -6.064
43 1HB ARG 8 2HB ARG 8 17.158 5.462 -7.567
44 2HB ARG 8 1HB ARG 8 16.639 4.048 -8.432
45 1HG ARG 8 2HG ARG 8 14.409 5.917 -7.753
46 2HG ARG 8 1HG ARG 8 15.627 6.617 -8.787
47 1HD ARG 8 2HD ARG 8 14.905 3.901 -9.685
48 2HD ARG 8 1HD ARG 8 13.507 4.957 -9.606
49 HE ARG 8 HE ARG 8 15.945 5.442 -11.253
50 1HH1 ARG 8 1HH2 ARG 8 14.033 7.649 -9.977
51 2HH1 ARG 8 2HH2 ARG 8 13.158 8.096 -11.402
52 1HH2 ARG 8 2HH1 ARG 8 14.293 5.326 -13.219
53 2HH2 ARG 8 1HH1 ARG 8 13.304 6.748 -13.282
54 H CYS 9 H CYS 9 17.298 6.066 -5.765
55 HA CYS 9 HA CYS 9 15.361 7.243 -3.889
56 1HB CYS 9 2HB CYS 9 16.972 7.556 -2.270
57 2HB CYS 9 1HB CYS 9 17.417 6.024 -2.939
58 HA HYP 10 HA HYP 10 15.188 8.851 -2.707
59 1HB HYP 10 1HB HYP 10 14.996 10.862 -1.746
60 2HB HYP 10 2HB HYP 10 13.669 11.254 -2.815
61 1HD HYP 10 1HD1 HYP 10 17.345 11.260 -4.783
62 2HD HYP 10 2HD1 HYP 10 15.825 11.380 -5.684
63 HOD HYP 10 HD2 HYP 10 17.164 11.305 -2.511
64 HG HYP 10 HG HYP 10 15.190 12.826 -3.877
65 HA HYP 11 HA HYP 11 12.572 9.960 -1.574
66 1HB HYP 11 1HB HYP 11 10.554 9.206 -0.955
67 2HB HYP 11 2HB HYP 11 11.216 7.591 -0.757
68 1HD HYP 11 1HD1 HYP 11 10.699 9.298 -4.396
69 2HD HYP 11 2HD1 HYP 11 11.321 7.661 -4.673
70 HOD HYP 11 HD2 HYP 11 8.825 8.430 -1.792
71 HG HYP 11 HG HYP 11 10.249 6.844 -2.732
72 H GLN 12 H GLN 12 14.059 9.583 -0.038
73 HA GLN 12 HA GLN 12 16.255 7.946 -0.350
74 1HB GLN 12 2HB GLN 12 14.910 8.882 2.218
75 2HB GLN 12 1HB GLN 12 16.489 8.123 2.207
76 1HG GLN 12 2HG GLN 12 15.816 10.604 0.547
77 2HG GLN 12 1HG GLN 12 16.575 10.663 2.134
78 1HE2 GLN 12 2HE2 GLN 12 18.958 10.078 -0.990
79 2HE2 GLN 12 1HE2 GLN 12 17.424 10.761 -1.133
80 H CYS 13 H CYS 13 16.666 5.811 -0.188
81 HA CYS 13 HA CYS 13 14.579 3.922 -0.029
82 1HB CYS 13 2HB CYS 13 17.295 3.093 0.905
83 2HB CYS 13 1HB CYS 13 16.166 2.308 -0.147
84 H CYS 14 H CYS 14 13.672 2.831 1.491
85 HA CYS 14 HA CYS 14 13.392 3.784 4.108
86 1HB CYS 14 2HB CYS 14 12.875 0.963 3.142
87 2HB CYS 14 1HB CYS 14 12.142 1.728 4.524
88 H MET 15 H MET 15 13.763 2.547 6.118
89 HA MET 15 HA MET 15 16.474 2.244 6.691
90 1HB MET 15 2HB MET 15 14.550 2.550 8.343
91 2HB MET 15 1HB MET 15 14.200 0.842 8.165
92 1HG MET 15 2HG MET 15 16.258 0.196 9.148
93 2HG MET 15 1HG MET 15 16.984 1.756 8.886
94 1HE MET 15 1HE MET 15 13.916 0.159 10.669
95 2HE MET 15 3HE MET 15 15.372 -0.602 11.357
96 3HE MET 15 2HE MET 15 14.351 0.435 12.343
97 H GLY 16 H GLY 16 17.908 0.721 6.448
98 1HA GLY 16 2HA GLY 16 18.697 -1.550 6.498
99 2HA GLY 16 1HA GLY 16 17.121 -2.072 5.913
100 H LEU 17 H LEU 17 16.982 0.080 3.922
101 HA LEU 17 HA LEU 17 18.509 -1.241 1.842
102 1HB LEU 17 2HB LEU 17 16.636 1.140 1.698
103 2HB LEU 17 1HB LEU 17 17.310 0.354 0.298
104 HG LEU 17 HG LEU 17 15.239 -0.680 2.258
105 1HD1 LEU 17 3HD1 LEU 17 14.582 0.802 0.344
106 2HD1 LEU 17 2HD1 LEU 17 15.104 -0.469 -0.752
107 3HD1 LEU 17 1HD1 LEU 17 13.789 -0.761 0.382
108 1HD2 LEU 17 1HD2 LEU 17 16.858 -2.583 1.684
109 2HD2 LEU 17 3HD2 LEU 17 15.217 -2.844 1.141
110 3HD2 LEU 17 2HD2 LEU 17 16.441 -2.339 -0.005
111 H ARG 18 H ARG 18 19.538 -0.007 0.190
112 HA ARG 18 HA ARG 18 20.960 2.463 0.981
113 1HB ARG 18 2HB ARG 18 22.910 1.076 -0.410
114 2HB ARG 18 1HB ARG 18 22.814 1.211 1.327
115 1HG ARG 18 2HG ARG 18 21.922 -0.889 1.588
116 2HG ARG 18 1HG ARG 18 21.363 -1.039 -0.051
117 1HD ARG 18 2HD ARG 18 23.988 -0.805 -0.639
118 2HD ARG 18 1HD ARG 18 24.173 -1.385 1.013
119 HE ARG 18 HE ARG 18 22.309 -3.041 -0.426
120 1HH1 ARG 18 2HH1 ARG 18 25.054 -3.337 1.242
121 2HH1 ARG 18 1HH1 ARG 18 25.880 -4.405 0.157
122 1HH2 ARG 18 1HH2 ARG 18 23.590 -3.917 -2.432
123 2HH2 ARG 18 2HH2 ARG 18 25.042 -4.733 -1.957
124 H CYS 19 H CYS 19 21.256 3.744 -0.672
125 HA CYS 19 HA CYS 19 19.675 3.399 -3.078
126 1HB CYS 19 2HB CYS 19 20.099 5.550 -1.851
127 2HB CYS 19 1HB CYS 19 21.715 5.559 -2.491
128 H GLY 20 H GLY 20 20.397 1.815 -4.443
129 1HA GLY 20 2HA GLY 20 23.215 1.624 -5.241
130 2HA GLY 20 1HA GLY 20 21.882 0.640 -5.844
131 H ARG 21 H ARG 21 23.464 3.735 -6.114
132 HA ARG 21 HA ARG 21 21.936 4.911 -8.157
133 1HB ARG 21 2HB ARG 21 24.844 5.169 -7.344
134 2HB ARG 21 1HB ARG 21 24.161 6.159 -8.611
135 1HG ARG 21 2HG ARG 21 22.328 6.277 -6.373
136 2HG ARG 21 1HG ARG 21 23.943 6.478 -5.726
137 1HD ARG 21 2HD ARG 21 22.959 8.665 -6.350
138 2HD ARG 21 1HD ARG 21 24.367 8.326 -7.355
139 HE ARG 21 HE ARG 21 22.067 7.318 -8.697
140 1HH1 ARG 21 2HH1 ARG 21 21.565 10.129 -7.298
141 2HH1 ARG 21 1HH1 ARG 21 21.705 11.152 -8.689
142 1HH2 ARG 21 1HH2 ARG 21 23.102 8.616 -10.661
143 2HH2 ARG 21 2HH2 ARG 21 22.599 10.274 -10.639
144 H GLY 22 H GLY 22 24.232 2.362 -8.300
145 1HA GLY 22 2HA GLY 22 25.079 2.518 -11.017
146 2HA GLY 22 1HA GLY 22 25.018 1.035 -10.058
147 H ASN 23 H ASN 23 24.295 1.331 -12.854
148 HA ASN 23 HA ASN 23 21.398 1.314 -13.009
149 1HB ASN 23 2HB ASN 23 23.350 1.817 -14.857
150 2HB ASN 23 1HB ASN 23 22.948 0.165 -15.294
151 1HD2 ASN 23 2HD2 ASN 23 19.750 0.988 -16.556
152 2HD2 ASN 23 1HD2 ASN 23 20.813 -0.262 -16.125
153 HA PRO 24 HA PRO 24 19.580 0.339 -13.777
154 1HB PRO 24 2HB PRO 24 17.607 -1.013 -12.361
155 2HB PRO 24 1HB PRO 24 17.988 -1.232 -14.062
156 1HG PRO 24 2HG PRO 24 18.592 -3.035 -11.794
157 2HG PRO 24 1HG PRO 24 18.578 -3.399 -13.515
158 1HD PRO 24 2HD PRO 24 20.896 -2.993 -11.866
159 2HD PRO 24 1HD PRO 24 20.876 -3.189 -13.625
160 H GLN 25 H GLN 25 19.179 2.155 -12.694
161 HA GLN 25 HA GLN 25 20.124 2.692 -10.067
162 1HB GLN 25 2HB GLN 25 17.964 4.158 -11.648
163 2HB GLN 25 1HB GLN 25 18.818 4.811 -10.260
164 1HG GLN 25 2HG GLN 25 20.865 4.999 -11.433
165 2HG GLN 25 1HG GLN 25 20.394 3.852 -12.678
166 1HE2 GLN 25 2HE2 GLN 25 18.970 7.704 -12.861
167 2HE2 GLN 25 1HE2 GLN 25 19.484 7.074 -11.372
168 H LYS 26 H LYS 26 19.388 1.535 -8.433
169 HA LYS 26 HA LYS 26 16.648 1.845 -7.529
170 1HB LYS 26 2HB LYS 26 17.492 -0.589 -8.984
171 2HB LYS 26 1HB LYS 26 16.850 -0.972 -7.408
172 1HG LYS 26 2HG LYS 26 14.820 -0.746 -8.162
173 2HG LYS 26 1HG LYS 26 15.042 0.961 -8.459
174 1HD LYS 26 2HD LYS 26 16.161 0.125 -10.727
175 2HD LYS 26 1HD LYS 26 15.337 -1.378 -10.369
176 1HE LYS 26 2HE LYS 26 13.974 0.108 -11.848
177 2HE LYS 26 1HE LYS 26 13.153 -0.201 -10.327
178 1HZ LYS 26 3HZ LYS 26 14.915 2.089 -10.396
179 2HZ LYS 26 2HZ LYS 26 13.494 2.219 -11.326
180 3HZ LYS 26 1HZ LYS 26 13.398 1.906 -9.657
181 H CYS 27 H CYS 27 16.240 1.103 -5.372
182 HA CYS 27 HA CYS 27 18.641 1.127 -3.756
183 1HB CYS 27 2HB CYS 27 15.759 0.713 -2.797
184 2HB CYS 27 1HB CYS 27 17.162 1.063 -1.867
185 H ILE 28 H ILE 28 19.344 -0.531 -2.537
186 HA ILE 28 HA ILE 28 18.204 -3.274 -2.915
187 HB ILE 28 HB ILE 28 20.640 -4.041 -2.812
188 1HG1 ILE 28 2HG1 ILE 28 21.211 -1.558 -1.930
189 2HG1 ILE 28 1HG1 ILE 28 22.387 -2.554 -2.718
190 1HG2 ILE 28 1HG2 ILE 28 19.697 -2.410 -5.196
191 2HG2 ILE 28 3HG2 ILE 28 21.136 -3.416 -5.221
192 3HG2 ILE 28 2HG2 ILE 28 19.563 -4.141 -4.944
193 1HD1 ILE 28 1HD1 ILE 28 20.677 -0.587 -4.233
194 2HD1 ILE 28 3HD1 ILE 28 22.194 -0.147 -3.464
195 3HD1 ILE 28 2HD1 ILE 28 22.178 -1.354 -4.745
196 H GLY 29 H GLY 29 19.863 -4.521 -1.081
197 1HA GLY 29 2HA GLY 29 19.225 -3.056 1.414
198 2HA GLY 29 1HA GLY 29 19.139 -4.777 1.284
199 H ALA 30 H ALA 30 20.723 -2.618 2.827
200 HA ALA 30 HA ALA 30 23.531 -3.241 2.303
201 1HB ALA 30 1HB ALA 30 22.030 -1.570 4.337
202 2HB ALA 30 3HB ALA 30 23.704 -1.998 4.655
203 3HB ALA 30 2HB ALA 30 23.297 -1.067 3.229
204 H HIS 31 H HIS 31 21.083 -3.815 4.693
205 HA HIS 31 HA HIS 31 22.595 -5.958 6.080
206 1HB HIS 31 2HB HIS 31 20.006 -4.422 6.600
207 2HB HIS 31 1HB HIS 31 20.400 -5.857 7.533
208 HD1 HIS 31 HD1 HIS 31 21.568 -5.198 9.620
209 HD2 HIS 31 HD2 HIS 31 22.517 -2.572 6.640
210 HE1 HIS 31 HE1 HIS 31 23.101 -3.542 10.615
211 1HN CGU 32 HN CGU 32 22.368 -6.756 3.704
212 HA CGU 32 HA CGU 32 20.111 -8.687 3.533
213 1HB CGU 32 1HB CGU 32 21.382 -7.232 1.206
214 2HB CGU 32 2HB CGU 32 20.037 -6.535 2.064
215 HG CGU 32 HG CGU 32 19.659 -9.362 1.213
216 H ASP 33 H ASP 33 21.630 -9.140 0.963
217 HA ASP 33 HA ASP 33 24.121 -10.457 1.742
218 1HB ASP 33 2HB ASP 33 22.016 -12.022 2.308
219 2HB ASP 33 1HB ASP 33 22.003 -12.315 0.584
220 H VAL 34 H VAL 34 23.892 -8.461 0.089
221 HA VAL 34 HA VAL 34 23.540 -9.280 -2.697
222 HB VAL 34 HB VAL 34 24.725 -6.733 -1.490
223 1HG1 VAL 34 3HG1 VAL 34 23.924 -7.467 -4.342
224 2HG1 VAL 34 2HG1 VAL 34 24.164 -5.807 -3.822
225 3HG1 VAL 34 1HG1 VAL 34 25.504 -6.936 -3.789
226 1HG2 VAL 34 3HG2 VAL 34 21.939 -7.432 -2.475
227 2HG2 VAL 34 2HG2 VAL 34 22.405 -6.919 -0.856
228 3HG2 VAL 34 1HG2 VAL 34 22.466 -5.784 -2.191
No H/Q in entry = 228
Start of MODEL 4
1 1H ALA 1 3H ALA 1 9.078 10.914 2.474
2 2H ALA 1 2H ALA 1 7.732 10.659 3.477
3 3H ALA 1 1H ALA 1 9.284 10.220 4.010
4 HA ALA 1 HA ALA 1 8.087 8.268 3.357
5 1HB ALA 1 1HB ALA 1 6.540 9.405 1.755
6 2HB ALA 1 3HB ALA 1 7.876 9.633 0.639
7 3HB ALA 1 2HB ALA 1 7.314 8.011 1.015
8 H CYS 2 H CYS 2 9.131 6.519 2.339
9 HA CYS 2 HA CYS 2 11.856 7.091 1.285
10 1HB CYS 2 2HB CYS 2 12.458 4.930 2.343
11 2HB CYS 2 1HB CYS 2 12.034 6.120 3.522
12 H SER 3 H SER 3 12.725 5.038 0.216
13 HA SER 3 HA SER 3 10.731 4.089 -1.813
14 1HB SER 3 2HB SER 3 12.637 5.385 -2.754
15 2HB SER 3 1HB SER 3 13.793 4.260 -2.018
16 HG SER 3 HG SER 3 12.894 2.617 -3.259
17 H GLY 4 H GLY 4 10.809 1.872 -2.440
18 1HA GLY 4 2HA GLY 4 11.666 0.052 -0.242
19 2HA GLY 4 1HA GLY 4 10.481 -0.314 -1.492
20 H ARG 5 H ARG 5 12.147 -2.220 -1.154
21 HA ARG 5 HA ARG 5 14.606 -2.013 -2.679
22 1HB ARG 5 2HB ARG 5 14.212 -3.611 -0.740
23 2HB ARG 5 1HB ARG 5 13.137 -4.530 -1.776
24 1HG ARG 5 2HG ARG 5 14.951 -5.041 -3.333
25 2HG ARG 5 1HG ARG 5 16.021 -3.902 -2.546
26 1HD ARG 5 2HD ARG 5 16.504 -6.280 -1.885
27 2HD ARG 5 1HD ARG 5 16.052 -5.287 -0.505
28 HE ARG 5 HE ARG 5 13.988 -6.457 -0.365
29 1HH1 ARG 5 1HH2 ARG 5 13.275 -6.494 -3.259
30 2HH1 ARG 5 2HH2 ARG 5 13.400 -8.176 -3.646
31 1HH2 ARG 5 2HH1 ARG 5 15.272 -8.927 -0.787
32 2HH2 ARG 5 1HH1 ARG 5 14.563 -9.586 -2.223
33 H GLY 6 H GLY 6 13.635 -1.124 -4.543
34 1HA GLY 6 2HA GLY 6 13.482 -2.721 -6.800
35 2HA GLY 6 1HA GLY 6 11.806 -2.567 -6.266
36 H SER 7 H SER 7 13.338 0.125 -5.217
37 HA SER 7 HA SER 7 13.148 1.701 -7.710
38 1HB SER 7 2HB SER 7 11.784 3.430 -6.138
39 2HB SER 7 1HB SER 7 10.916 2.138 -6.973
40 HG SER 7 HG SER 7 11.258 0.840 -5.104
41 H ARG 8 H ARG 8 14.456 3.434 -7.718
42 HA ARG 8 HA ARG 8 16.661 3.529 -5.886
43 1HB ARG 8 2HB ARG 8 17.515 5.230 -7.373
44 2HB ARG 8 1HB ARG 8 16.734 4.022 -8.350
45 1HG ARG 8 2HG ARG 8 15.342 6.615 -7.520
46 2HG ARG 8 1HG ARG 8 16.246 6.394 -8.992
47 1HD ARG 8 2HD ARG 8 14.128 5.915 -9.809
48 2HD ARG 8 1HD ARG 8 14.636 4.300 -9.361
49 HE ARG 8 HE ARG 8 13.034 4.324 -7.621
50 1HH1 ARG 8 1HH2 ARG 8 12.520 7.001 -9.517
51 2HH1 ARG 8 2HH2 ARG 8 11.712 7.932 -8.301
52 1HH2 ARG 8 2HH1 ARG 8 12.501 5.667 -5.747
53 2HH2 ARG 8 1HH1 ARG 8 11.714 7.163 -6.110
54 H CYS 9 H CYS 9 17.322 6.067 -5.617
55 HA CYS 9 HA CYS 9 15.297 7.232 -3.825
56 1HB CYS 9 2HB CYS 9 16.970 7.776 -2.258
57 2HB CYS 9 1HB CYS 9 17.318 6.143 -2.735
58 HA HYP 10 HA HYP 10 15.147 8.996 -2.685
59 1HB HYP 10 1HB HYP 10 14.977 11.129 -1.985
60 2HB HYP 10 2HB HYP 10 13.533 11.299 -2.957
61 1HD HYP 10 1HD1 HYP 10 17.119 11.262 -5.083
62 2HD HYP 10 2HD1 HYP 10 15.613 11.163 -6.005
63 HOD HYP 10 HD2 HYP 10 16.565 13.422 -3.552
64 HG HYP 10 HG HYP 10 14.771 12.728 -4.455
65 HA HYP 11 HA HYP 11 12.714 9.998 -1.570
66 1HB HYP 11 1HB HYP 11 10.621 9.461 -0.898
67 2HB HYP 11 2HB HYP 11 11.201 7.868 -0.461
68 1HD HYP 11 1HD1 HYP 11 10.769 8.723 -4.463
69 2HD HYP 11 2HD1 HYP 11 11.453 7.123 -4.141
70 HOD HYP 11 HD2 HYP 11 8.518 8.203 -2.975
71 HG HYP 11 HG HYP 11 10.067 6.917 -2.265
72 H GLN 12 H GLN 12 14.189 9.611 0.027
73 HA GLN 12 HA GLN 12 16.355 7.955 -0.195
74 1HB GLN 12 2HB GLN 12 16.623 8.128 2.295
75 2HB GLN 12 1HB GLN 12 16.230 9.658 1.547
76 1HG GLN 12 2HG GLN 12 14.504 9.864 2.997
77 2HG GLN 12 1HG GLN 12 13.687 8.549 2.178
78 1HE2 GLN 12 2HE2 GLN 12 15.204 7.979 5.877
79 2HE2 GLN 12 1HE2 GLN 12 15.284 9.484 5.098
80 H CYS 13 H CYS 13 16.738 5.768 -0.074
81 HA CYS 13 HA CYS 13 14.608 3.919 0.057
82 1HB CYS 13 2HB CYS 13 17.257 2.962 1.024
83 2HB CYS 13 1HB CYS 13 16.135 2.284 -0.105
84 H CYS 14 H CYS 14 13.660 2.825 1.569
85 HA CYS 14 HA CYS 14 13.395 3.770 4.197
86 1HB CYS 14 2HB CYS 14 12.757 1.001 3.147
87 2HB CYS 14 1HB CYS 14 12.063 1.734 4.564
88 H MET 15 H MET 15 13.628 2.360 6.161
89 HA MET 15 HA MET 15 16.310 2.023 6.829
90 1HB MET 15 2HB MET 15 14.330 2.225 8.409
91 2HB MET 15 1HB MET 15 13.964 0.540 8.101
92 1HG MET 15 2HG MET 15 15.271 0.812 10.167
93 2HG MET 15 1HG MET 15 16.134 -0.138 8.995
94 1HE MET 15 2HE MET 15 15.704 3.572 10.218
95 2HE MET 15 1HE MET 15 16.301 2.551 11.547
96 3HE MET 15 3HE MET 15 17.316 3.810 10.867
97 H GLY 16 H GLY 16 17.759 0.507 6.595
98 1HA GLY 16 2HA GLY 16 18.588 -1.731 6.491
99 2HA GLY 16 1HA GLY 16 17.030 -2.250 5.866
100 H LEU 17 H LEU 17 16.940 0.034 3.968
101 HA LEU 17 HA LEU 17 18.563 -1.209 1.885
102 1HB LEU 17 2HB LEU 17 16.298 0.791 1.828
103 2HB LEU 17 1HB LEU 17 17.300 0.556 0.420
104 HG LEU 17 HG LEU 17 16.634 -2.070 1.258
105 1HD1 LEU 17 1HD1 LEU 17 14.200 -0.253 1.118
106 2HD1 LEU 17 3HD1 LEU 17 14.163 -2.010 1.159
107 3HD1 LEU 17 2HD1 LEU 17 14.751 -1.115 2.553
108 1HD2 LEU 17 2HD2 LEU 17 16.860 -0.778 -1.101
109 2HD2 LEU 17 1HD2 LEU 17 16.049 -2.311 -0.925
110 3HD2 LEU 17 3HD2 LEU 17 15.119 -0.817 -0.979
111 H ARG 18 H ARG 18 19.465 0.091 0.276
112 HA ARG 18 HA ARG 18 20.736 2.660 0.993
113 1HB ARG 18 2HB ARG 18 22.832 1.544 -0.180
114 2HB ARG 18 1HB ARG 18 22.563 1.296 1.528
115 1HG ARG 18 2HG ARG 18 21.727 -0.908 1.141
116 2HG ARG 18 1HG ARG 18 21.399 -0.590 -0.541
117 1HD ARG 18 2HD ARG 18 23.825 -0.473 -1.042
118 2HD ARG 18 1HD ARG 18 24.196 -0.779 0.656
119 HE ARG 18 HE ARG 18 22.508 -2.863 -0.147
120 1HH1 ARG 18 2HH1 ARG 18 25.763 -1.945 -0.093
121 2HH1 ARG 18 1HH1 ARG 18 26.323 -3.286 -1.034
122 1HH2 ARG 18 1HH2 ARG 18 23.086 -4.409 -1.742
123 2HH2 ARG 18 2HH2 ARG 18 24.774 -4.713 -1.991
124 H CYS 19 H CYS 19 21.280 3.804 -0.804
125 HA CYS 19 HA CYS 19 19.606 3.364 -3.155
126 1HB CYS 19 2HB CYS 19 20.281 5.579 -1.999
127 2HB CYS 19 1HB CYS 19 21.754 5.480 -2.913
128 H GLY 20 H GLY 20 20.287 1.588 -4.333
129 1HA GLY 20 2HA GLY 20 23.036 1.084 -5.062
130 2HA GLY 20 1HA GLY 20 21.615 0.297 -5.747
131 H ARG 21 H ARG 21 23.797 2.941 -6.017
132 HA ARG 21 HA ARG 21 22.636 4.460 -8.070
133 1HB ARG 21 2HB ARG 21 25.097 5.114 -8.520
134 2HB ARG 21 1HB ARG 21 24.457 5.437 -6.926
135 1HG ARG 21 2HG ARG 21 25.658 3.677 -5.919
136 2HG ARG 21 1HG ARG 21 25.846 2.788 -7.417
137 1HD ARG 21 2HD ARG 21 27.144 5.512 -7.151
138 2HD ARG 21 1HD ARG 21 27.908 4.096 -6.433
139 HE ARG 21 HE ARG 21 27.088 3.847 -9.265
140 1HH1 ARG 21 1HH2 ARG 21 29.131 2.174 -7.784
141 2HH1 ARG 21 2HH2 ARG 21 30.618 2.781 -8.435
142 1HH2 ARG 21 2HH1 ARG 21 29.103 5.655 -9.743
143 2HH2 ARG 21 1HH1 ARG 21 30.601 4.802 -9.571
144 H GLY 22 H GLY 22 24.113 1.376 -8.260
145 1HA GLY 22 2HA GLY 22 25.096 1.348 -10.927
146 2HA GLY 22 1HA GLY 22 24.512 -0.071 -10.056
147 H ASN 23 H ASN 23 24.117 1.037 -12.883
148 HA ASN 23 HA ASN 23 21.280 1.591 -13.065
149 1HB ASN 23 2HB ASN 23 23.528 1.263 -15.034
150 2HB ASN 23 1HB ASN 23 21.871 1.253 -15.614
151 1HD2 ASN 23 2HD2 ASN 23 21.547 4.734 -15.340
152 2HD2 ASN 23 1HD2 ASN 23 20.969 3.276 -15.988
153 HA PRO 24 HA PRO 24 19.376 1.200 -14.147
154 1HB PRO 24 2HB PRO 24 17.104 -0.035 -13.114
155 2HB PRO 24 1HB PRO 24 17.532 0.077 -14.813
156 1HG PRO 24 2HG PRO 24 17.675 -2.286 -13.037
157 2HG PRO 24 1HG PRO 24 17.668 -2.226 -14.794
158 1HD PRO 24 2HD PRO 24 19.949 -2.690 -13.117
159 2HD PRO 24 1HD PRO 24 19.975 -2.412 -14.866
160 H GLN 25 H GLN 25 19.315 2.743 -12.681
161 HA GLN 25 HA GLN 25 20.214 2.538 -10.028
162 1HB GLN 25 2HB GLN 25 18.405 4.597 -11.350
163 2HB GLN 25 1HB GLN 25 19.093 4.814 -9.748
164 1HG GLN 25 2HG GLN 25 21.362 4.733 -10.623
165 2HG GLN 25 1HG GLN 25 20.799 4.267 -12.223
166 1HE2 GLN 25 2HE2 GLN 25 19.698 7.550 -13.092
167 2HE2 GLN 25 1HE2 GLN 25 19.465 5.901 -13.415
168 H LYS 26 H LYS 26 19.369 1.600 -8.379
169 HA LYS 26 HA LYS 26 16.579 1.875 -7.602
170 1HB LYS 26 2HB LYS 26 17.541 -0.547 -9.016
171 2HB LYS 26 1HB LYS 26 16.757 -0.923 -7.500
172 1HG LYS 26 2HG LYS 26 14.710 -0.242 -8.186
173 2HG LYS 26 1HG LYS 26 15.292 1.083 -9.152
174 1HD LYS 26 2HD LYS 26 14.407 -0.458 -10.721
175 2HD LYS 26 1HD LYS 26 16.143 -0.675 -10.829
176 1HE LYS 26 2HE LYS 26 15.827 -2.599 -9.097
177 2HE LYS 26 1HE LYS 26 14.108 -2.460 -9.445
178 1HZ LYS 26 2HZ LYS 26 16.199 -2.882 -11.495
179 2HZ LYS 26 1HZ LYS 26 15.261 -4.120 -10.806
180 3HZ LYS 26 3HZ LYS 26 14.517 -2.904 -11.733
181 H CYS 27 H CYS 27 16.175 1.199 -5.386
182 HA CYS 27 HA CYS 27 18.610 1.175 -3.813
183 1HB CYS 27 2HB CYS 27 15.735 0.883 -2.818
184 2HB CYS 27 1HB CYS 27 17.161 1.128 -1.898
185 H ILE 28 H ILE 28 19.224 -0.506 -2.480
186 HA ILE 28 HA ILE 28 17.910 -3.151 -2.824
187 HB ILE 28 HB ILE 28 20.143 -4.171 -3.052
188 1HG1 ILE 28 2HG1 ILE 28 21.276 -2.246 -1.728
189 2HG1 ILE 28 1HG1 ILE 28 22.127 -3.024 -2.998
190 1HG2 ILE 28 1HG2 ILE 28 19.604 -2.012 -5.135
191 2HG2 ILE 28 3HG2 ILE 28 20.769 -3.308 -5.334
192 3HG2 ILE 28 2HG2 ILE 28 19.064 -3.678 -5.156
193 1HD1 ILE 28 3HD1 ILE 28 20.663 -0.615 -3.876
194 2HD1 ILE 28 2HD1 ILE 28 21.986 -0.350 -2.758
195 3HD1 ILE 28 1HD1 ILE 28 22.272 -1.191 -4.272
196 H GLY 29 H GLY 29 19.347 -4.570 -1.123
197 1HA GLY 29 2HA GLY 29 18.986 -3.110 1.414
198 2HA GLY 29 1HA GLY 29 18.987 -4.823 1.276
199 H ALA 30 H ALA 30 20.561 -2.642 2.735
200 HA ALA 30 HA ALA 30 23.361 -3.049 1.955
201 1HB ALA 30 2HB ALA 30 21.862 -1.352 3.926
202 2HB ALA 30 1HB ALA 30 23.521 -1.749 4.334
203 3HB ALA 30 3HB ALA 30 23.167 -0.897 2.845
204 H HIS 31 H HIS 31 21.192 -3.765 4.564
205 HA HIS 31 HA HIS 31 22.964 -5.976 5.555
206 1HB HIS 31 2HB HIS 31 22.591 -3.973 7.123
207 2HB HIS 31 1HB HIS 31 20.888 -4.407 7.176
208 HD1 HIS 31 HD1 HIS 31 24.189 -6.080 7.860
209 HD2 HIS 31 HD2 HIS 31 20.304 -6.302 9.088
210 HE1 HIS 31 HE1 HIS 31 24.135 -7.735 9.687
211 1HN CGU 32 HN CGU 32 21.800 -6.929 3.649
212 HA CGU 32 HA CGU 32 19.157 -8.089 4.412
213 1HB CGU 32 1HB CGU 32 20.216 -7.996 1.568
214 2HB CGU 32 2HB CGU 32 19.657 -6.517 2.277
215 HG CGU 32 HG CGU 32 17.982 -7.827 0.922
216 H ASP 33 H ASP 33 20.024 -9.702 1.978
217 HA ASP 33 HA ASP 33 22.104 -11.499 2.892
218 1HB ASP 33 2HB ASP 33 19.806 -12.037 4.193
219 2HB ASP 33 1HB ASP 33 19.356 -12.805 2.687
220 H VAL 34 H VAL 34 21.528 -9.937 0.649
221 HA VAL 34 HA VAL 34 20.847 -11.819 -1.537
222 HB VAL 34 HB VAL 34 21.595 -8.857 -1.696
223 1HG1 VAL 34 2HG1 VAL 34 20.298 -10.771 -3.693
224 2HG1 VAL 34 1HG1 VAL 34 20.415 -9.035 -3.928
225 3HG1 VAL 34 3HG1 VAL 34 21.872 -10.008 -3.854
226 1HG2 VAL 34 2HG2 VAL 34 18.904 -10.251 -1.389
227 2HG2 VAL 34 1HG2 VAL 34 19.575 -8.958 -0.409
228 3HG2 VAL 34 3HG2 VAL 34 19.041 -8.627 -2.044
No H/Q in entry = 228
Start of MODEL 5
1 1H ALA 1 2H ALA 1 8.377 9.038 3.493
2 2H ALA 1 1H ALA 1 7.858 9.917 2.134
3 3H ALA 1 3H ALA 1 6.731 9.416 3.304
4 HA ALA 1 HA ALA 1 7.149 7.112 2.765
5 1HB ALA 1 2HB ALA 1 6.457 8.919 0.401
6 2HB ALA 1 1HB ALA 1 6.175 7.185 0.421
7 3HB ALA 1 3HB ALA 1 5.328 8.228 1.553
8 H CYS 2 H CYS 2 9.226 6.424 2.906
9 HA CYS 2 HA CYS 2 11.391 7.107 1.136
10 1HB CYS 2 2HB CYS 2 12.385 4.991 2.185
11 2HB CYS 2 1HB CYS 2 11.961 6.231 3.314
12 H SER 3 H SER 3 12.563 4.983 0.202
13 HA SER 3 HA SER 3 10.701 3.865 -1.855
14 1HB SER 3 2HB SER 3 13.652 4.558 -1.857
15 2HB SER 3 1HB SER 3 13.037 3.369 -3.006
16 HG SER 3 HG SER 3 12.883 5.403 -3.803
17 H GLY 4 H GLY 4 10.786 1.662 -2.348
18 1HA GLY 4 2HA GLY 4 11.813 -0.085 -0.151
19 2HA GLY 4 1HA GLY 4 10.496 -0.489 -1.244
20 H ARG 5 H ARG 5 12.332 -2.384 -1.054
21 HA ARG 5 HA ARG 5 14.607 -2.142 -2.767
22 1HB ARG 5 2HB ARG 5 13.302 -4.247 -1.223
23 2HB ARG 5 1HB ARG 5 13.644 -4.896 -2.807
24 1HG ARG 5 2HG ARG 5 15.937 -3.354 -1.798
25 2HG ARG 5 1HG ARG 5 15.452 -4.554 -0.644
26 1HD ARG 5 2HD ARG 5 15.868 -5.260 -3.580
27 2HD ARG 5 1HD ARG 5 17.191 -5.290 -2.419
28 HE ARG 5 HE ARG 5 15.163 -6.825 -1.256
29 1HH1 ARG 5 1HH2 ARG 5 17.916 -7.764 -1.998
30 2HH1 ARG 5 2HH2 ARG 5 17.586 -9.026 -3.132
31 1HH2 ARG 5 2HH1 ARG 5 14.280 -7.952 -3.630
32 2HH2 ARG 5 1HH1 ARG 5 15.459 -9.134 -4.089
33 H GLY 6 H GLY 6 14.422 -1.489 -4.689
34 1HA GLY 6 2HA GLY 6 13.997 -2.446 -7.034
35 2HA GLY 6 1HA GLY 6 12.328 -2.567 -6.554
36 H SER 7 H SER 7 13.083 0.125 -5.042
37 HA SER 7 HA SER 7 12.440 1.910 -7.356
38 1HB SER 7 2HB SER 7 11.755 2.093 -4.377
39 2HB SER 7 1HB SER 7 11.480 3.423 -5.520
40 HG SER 7 HG SER 7 10.265 2.001 -6.783
41 H ARG 8 H ARG 8 13.727 3.698 -7.673
42 HA ARG 8 HA ARG 8 16.390 3.651 -6.520
43 1HB ARG 8 2HB ARG 8 16.871 5.416 -8.084
44 2HB ARG 8 1HB ARG 8 15.809 4.294 -8.912
45 1HG ARG 8 2HG ARG 8 13.903 5.860 -8.010
46 2HG ARG 8 1HG ARG 8 15.174 7.025 -7.807
47 1HD ARG 8 2HD ARG 8 15.109 5.637 -10.487
48 2HD ARG 8 1HD ARG 8 13.830 6.793 -10.158
49 HE ARG 8 HE ARG 8 15.411 8.484 -10.451
50 1HH1 ARG 8 1HH2 ARG 8 17.065 8.220 -8.196
51 2HH1 ARG 8 2HH2 ARG 8 18.609 7.717 -8.802
52 1HH2 ARG 8 2HH1 ARG 8 17.257 6.655 -11.862
53 2HH2 ARG 8 1HH1 ARG 8 18.719 6.800 -10.944
54 H CYS 9 H CYS 9 17.144 6.151 -6.215
55 HA CYS 9 HA CYS 9 15.463 7.250 -4.067
56 1HB CYS 9 2HB CYS 9 17.263 7.531 -2.609
57 2HB CYS 9 1HB CYS 9 17.477 5.943 -3.265
58 HA HYP 10 HA HYP 10 15.282 8.794 -2.864
59 1HB HYP 10 1HB HYP 10 15.138 10.765 -1.848
60 2HB HYP 10 2HB HYP 10 13.786 11.211 -2.862
61 1HD HYP 10 1HD1 HYP 10 17.419 11.272 -4.897
62 2HD HYP 10 2HD1 HYP 10 15.890 11.425 -5.778
63 HOD HYP 10 HD2 HYP 10 16.921 13.076 -2.697
64 HG HYP 10 HG HYP 10 15.258 12.800 -3.937
65 HA HYP 11 HA HYP 11 12.649 9.979 -1.721
66 1HB HYP 11 1HB HYP 11 10.637 9.265 -1.044
67 2HB HYP 11 2HB HYP 11 11.195 7.600 -0.979
68 1HD HYP 11 1HD1 HYP 11 10.896 9.209 -4.741
69 2HD HYP 11 2HD1 HYP 11 11.432 7.523 -4.692
70 HOD HYP 11 HD2 HYP 11 9.713 9.968 -3.062
71 HG HYP 11 HG HYP 11 9.944 7.136 -2.900
72 H GLN 12 H GLN 12 14.248 9.645 -0.321
73 HA GLN 12 HA GLN 12 16.343 7.888 -0.556
74 1HB GLN 12 2HB GLN 12 15.099 9.038 1.972
75 2HB GLN 12 1HB GLN 12 16.637 8.204 1.974
76 1HG GLN 12 2HG GLN 12 17.605 10.216 1.490
77 2HG GLN 12 1HG GLN 12 16.983 10.024 -0.138
78 1HE2 GLN 12 2HE2 GLN 12 15.051 12.947 0.273
79 2HE2 GLN 12 1HE2 GLN 12 16.046 12.041 -0.746
80 H CYS 13 H CYS 13 16.657 5.760 -0.304
81 HA CYS 13 HA CYS 13 14.562 3.932 0.012
82 1HB CYS 13 2HB CYS 13 17.262 3.105 0.967
83 2HB CYS 13 1HB CYS 13 16.126 2.299 -0.066
84 H CYS 14 H CYS 14 13.684 2.855 1.572
85 HA CYS 14 HA CYS 14 13.365 3.912 4.141
86 1HB CYS 14 2HB CYS 14 12.859 1.093 3.166
87 2HB CYS 14 1HB CYS 14 12.182 1.775 4.614
88 H MET 15 H MET 15 13.552 2.504 6.143
89 HA MET 15 HA MET 15 16.240 2.336 6.919
90 1HB MET 15 2HB MET 15 14.207 2.545 8.440
91 2HB MET 15 1HB MET 15 13.894 0.841 8.183
92 1HG MET 15 2HG MET 15 15.418 0.271 9.732
93 2HG MET 15 1HG MET 15 16.673 1.182 8.947
94 1HE MET 15 2HE MET 15 17.812 3.126 9.821
95 2HE MET 15 1HE MET 15 16.428 4.065 9.209
96 3HE MET 15 3HE MET 15 17.062 4.354 10.821
97 H GLY 16 H GLY 16 17.740 0.869 6.669
98 1HA GLY 16 2HA GLY 16 18.641 -1.339 6.659
99 2HA GLY 16 1HA GLY 16 17.081 -1.948 6.129
100 H LEU 17 H LEU 17 16.872 0.252 4.102
101 HA LEU 17 HA LEU 17 18.421 -1.094 2.034
102 1HB LEU 17 2HB LEU 17 16.396 1.166 1.822
103 2HB LEU 17 1HB LEU 17 17.152 0.398 0.450
104 HG LEU 17 HG LEU 17 15.068 -0.717 2.333
105 1HD1 LEU 17 2HD1 LEU 17 14.448 0.660 0.323
106 2HD1 LEU 17 1HD1 LEU 17 15.101 -0.624 -0.682
107 3HD1 LEU 17 3HD1 LEU 17 13.747 -0.948 0.389
108 1HD2 LEU 17 1HD2 LEU 17 16.819 -2.537 1.915
109 2HD2 LEU 17 3HD2 LEU 17 15.231 -2.897 1.265
110 3HD2 LEU 17 2HD2 LEU 17 16.496 -2.343 0.193
111 H ARG 18 H ARG 18 19.386 0.108 0.362
112 HA ARG 18 HA ARG 18 20.622 2.717 0.966
113 1HB ARG 18 2HB ARG 18 22.771 1.542 -0.040
114 2HB ARG 18 1HB ARG 18 22.436 1.439 1.675
115 1HG ARG 18 2HG ARG 18 21.717 -0.790 1.517
116 2HG ARG 18 1HG ARG 18 21.301 -0.671 -0.173
117 1HD ARG 18 2HD ARG 18 24.168 -0.610 0.850
118 2HD ARG 18 1HD ARG 18 23.369 -2.040 0.194
119 HE ARG 18 HE ARG 18 23.092 0.126 -1.651
120 1HH1 ARG 18 1HH2 ARG 18 26.013 -0.030 -0.534
121 2HH1 ARG 18 2HH2 ARG 18 26.771 -0.926 -1.806
122 1HH2 ARG 18 2HH1 ARG 18 23.716 -1.913 -3.205
123 2HH2 ARG 18 1HH1 ARG 18 25.436 -2.019 -3.358
124 H CYS 19 H CYS 19 21.249 3.741 -0.869
125 HA CYS 19 HA CYS 19 19.705 3.156 -3.264
126 1HB CYS 19 2HB CYS 19 20.330 5.438 -2.252
127 2HB CYS 19 1HB CYS 19 21.854 5.268 -3.068
128 H GLY 20 H GLY 20 20.353 1.457 -4.499
129 1HA GLY 20 2HA GLY 20 23.177 0.920 -5.082
130 2HA GLY 20 1HA GLY 20 21.780 0.048 -5.728
131 H ARG 21 H ARG 21 24.236 1.961 -6.638
132 HA ARG 21 HA ARG 21 23.163 3.866 -8.382
133 1HB ARG 21 2HB ARG 21 25.366 4.062 -9.240
134 2HB ARG 21 1HB ARG 21 25.601 3.498 -7.606
135 1HG ARG 21 2HG ARG 21 25.671 1.707 -10.084
136 2HG ARG 21 1HG ARG 21 27.069 2.325 -9.239
137 1HD ARG 21 2HD ARG 21 26.369 1.119 -7.162
138 2HD ARG 21 1HD ARG 21 24.987 0.452 -8.027
139 HE ARG 21 HE ARG 21 27.809 -0.302 -8.430
140 1HH1 ARG 21 1HH1 ARG 21 26.033 -1.645 -11.386
141 2HH1 ARG 21 2HH1 ARG 21 26.858 -0.145 -11.118
142 1HH2 ARG 21 1HH2 ARG 21 25.757 -2.326 -7.958
143 2HH2 ARG 21 2HH2 ARG 21 25.391 -2.915 -9.546
144 H GLY 22 H GLY 22 23.058 3.907 -10.672
145 1HA GLY 22 2HA GLY 22 23.248 2.044 -12.630
146 2HA GLY 22 1HA GLY 22 21.757 1.535 -11.827
147 H ASN 23 H ASN 23 20.782 2.065 -13.942
148 HA ASN 23 HA ASN 23 19.650 4.739 -13.867
149 1HB ASN 23 2HB ASN 23 22.010 4.448 -15.373
150 2HB ASN 23 1HB ASN 23 20.758 4.341 -16.599
151 1HD2 ASN 23 2HD2 ASN 23 20.293 7.807 -16.578
152 2HD2 ASN 23 1HD2 ASN 23 20.255 6.341 -17.432
153 HA PRO 24 HA PRO 24 17.722 5.077 -13.446
154 1HB PRO 24 2HB PRO 24 15.443 3.837 -12.426
155 2HB PRO 24 1HB PRO 24 15.482 5.178 -13.556
156 1HG PRO 24 2HG PRO 24 14.809 2.360 -14.089
157 2HG PRO 24 1HG PRO 24 14.512 3.768 -15.098
158 1HD PRO 24 2HD PRO 24 16.538 1.775 -15.501
159 2HD PRO 24 1HD PRO 24 16.360 3.291 -16.400
160 H GLN 25 H GLN 25 18.406 4.980 -11.388
161 HA GLN 25 HA GLN 25 19.851 2.763 -10.380
162 1HB GLN 25 2HB GLN 25 18.667 5.156 -8.910
163 2HB GLN 25 1HB GLN 25 19.871 4.084 -8.219
164 1HG GLN 25 2HG GLN 25 21.537 4.797 -9.784
165 2HG GLN 25 1HG GLN 25 20.334 5.475 -10.871
166 1HE2 GLN 25 2HE2 GLN 25 21.225 8.590 -9.582
167 2HE2 GLN 25 1HE2 GLN 25 21.241 7.532 -10.913
168 H LYS 26 H LYS 26 19.347 1.893 -8.049
169 HA LYS 26 HA LYS 26 16.525 1.397 -7.475
170 1HB LYS 26 2HB LYS 26 17.104 -0.173 -9.398
171 2HB LYS 26 1HB LYS 26 18.246 -0.967 -8.329
172 1HG LYS 26 2HG LYS 26 16.258 -1.346 -6.739
173 2HG LYS 26 1HG LYS 26 15.250 -0.785 -8.060
174 1HD LYS 26 2HD LYS 26 17.272 -3.023 -8.478
175 2HD LYS 26 1HD LYS 26 15.681 -3.369 -7.853
176 1HE LYS 26 2HE LYS 26 15.194 -3.591 -10.108
177 2HE LYS 26 1HE LYS 26 14.933 -1.860 -9.996
178 1HZ LYS 26 3HZ LYS 26 17.654 -2.785 -10.492
179 2HZ LYS 26 2HZ LYS 26 16.531 -2.936 -11.755
180 3HZ LYS 26 1HZ LYS 26 16.853 -1.411 -11.083
181 H CYS 27 H CYS 27 16.303 1.213 -5.309
182 HA CYS 27 HA CYS 27 18.600 0.971 -3.633
183 1HB CYS 27 2HB CYS 27 15.684 0.701 -2.729
184 2HB CYS 27 1HB CYS 27 17.087 1.027 -1.791
185 H ILE 28 H ILE 28 19.177 -0.651 -2.345
186 HA ILE 28 HA ILE 28 17.876 -3.317 -2.561
187 HB ILE 28 HB ILE 28 20.194 -4.302 -2.606
188 1HG1 ILE 28 2HG1 ILE 28 21.183 -2.096 -1.623
189 2HG1 ILE 28 1HG1 ILE 28 22.118 -3.033 -2.720
190 1HG2 ILE 28 1HG2 ILE 28 19.212 -2.639 -4.920
191 2HG2 ILE 28 3HG2 ILE 28 20.743 -3.486 -5.051
192 3HG2 ILE 28 2HG2 ILE 28 19.269 -4.381 -4.736
193 1HD1 ILE 28 2HD1 ILE 28 20.482 -0.959 -4.045
194 2HD1 ILE 28 1HD1 ILE 28 21.747 -0.378 -2.978
195 3HD1 ILE 28 3HD1 ILE 28 22.144 -1.457 -4.309
196 H GLY 29 H GLY 29 19.498 -4.580 -0.750
197 1HA GLY 29 2HA GLY 29 19.082 -2.924 1.668
198 2HA GLY 29 1HA GLY 29 19.048 -4.654 1.668
199 H ALA 30 H ALA 30 20.618 -2.591 3.125
200 HA ALA 30 HA ALA 30 23.406 -2.849 2.316
201 1HB ALA 30 2HB ALA 30 22.095 -1.919 4.916
202 2HB ALA 30 1HB ALA 30 23.825 -1.832 4.610
203 3HB ALA 30 3HB ALA 30 22.713 -0.889 3.634
204 H HIS 31 H HIS 31 21.248 -4.231 4.649
205 HA HIS 31 HA HIS 31 23.197 -6.336 5.447
206 1HB HIS 31 2HB HIS 31 21.648 -4.848 7.072
207 2HB HIS 31 1HB HIS 31 20.429 -6.049 6.671
208 HD1 HIS 31 HD1 HIS 31 23.656 -5.725 8.444
209 HD2 HIS 31 HD2 HIS 31 20.935 -8.669 7.673
210 HE1 HIS 31 HE1 HIS 31 24.261 -7.626 9.896
211 1HN CGU 32 HN CGU 32 22.057 -6.224 2.906
212 HA CGU 32 HA CGU 32 20.503 -8.769 2.753
213 1HB CGU 32 1HB CGU 32 20.330 -6.262 1.030
214 2HB CGU 32 2HB CGU 32 19.139 -6.813 2.181
215 HG CGU 32 HG CGU 32 19.290 -9.020 0.637
216 H ASP 33 H ASP 33 22.250 -9.865 2.640
217 HA ASP 33 HA ASP 33 24.160 -9.529 0.379
218 1HB ASP 33 2HB ASP 33 24.551 -11.036 3.008
219 2HB ASP 33 1HB ASP 33 25.787 -10.572 1.858
220 H VAL 34 H VAL 34 21.786 -10.521 -0.265
221 HA VAL 34 HA VAL 34 22.300 -13.443 -0.606
222 HB VAL 34 HB VAL 34 20.527 -12.881 1.149
223 1HG1 VAL 34 3HG1 VAL 34 19.587 -10.948 -0.382
224 2HG1 VAL 34 2HG1 VAL 34 18.647 -12.226 -1.129
225 3HG1 VAL 34 1HG1 VAL 34 18.470 -11.888 0.586
226 1HG2 VAL 34 2HG2 VAL 34 20.649 -15.079 -0.157
227 2HG2 VAL 34 1HG2 VAL 34 19.083 -14.686 0.521
228 3HG2 VAL 34 3HG2 VAL 34 19.379 -14.449 -1.192
No H/Q in entry = 228
Start of MODEL 6
1 1H ALA 1 1H ALA 1 9.233 9.828 4.165
2 2H ALA 1 3H ALA 1 7.558 9.595 4.314
3 3H ALA 1 2H ALA 1 8.622 8.302 4.594
4 HA ALA 1 HA ALA 1 7.645 7.994 2.469
5 1HB ALA 1 1HB ALA 1 8.597 10.853 1.995
6 2HB ALA 1 3HB ALA 1 8.072 9.793 0.695
7 3HB ALA 1 2HB ALA 1 6.942 10.265 1.956
8 H CYS 2 H CYS 2 9.070 6.398 2.205
9 HA CYS 2 HA CYS 2 11.822 7.051 1.273
10 1HB CYS 2 2HB CYS 2 12.459 4.910 2.330
11 2HB CYS 2 1HB CYS 2 11.987 6.080 3.511
12 H SER 3 H SER 3 12.743 4.978 0.236
13 HA SER 3 HA SER 3 10.777 4.020 -1.814
14 1HB SER 3 2HB SER 3 13.749 4.626 -1.897
15 2HB SER 3 1HB SER 3 13.070 3.466 -3.043
16 HG SER 3 HG SER 3 12.929 5.485 -3.837
17 H GLY 4 H GLY 4 10.645 1.834 -2.253
18 1HA GLY 4 2HA GLY 4 11.668 0.022 -0.125
19 2HA GLY 4 1HA GLY 4 10.386 -0.344 -1.277
20 H ARG 5 H ARG 5 12.247 -2.243 -0.978
21 HA ARG 5 HA ARG 5 14.520 -1.963 -2.720
22 1HB ARG 5 2HB ARG 5 14.214 -3.703 -0.851
23 2HB ARG 5 1HB ARG 5 13.173 -4.594 -1.942
24 1HG ARG 5 2HG ARG 5 14.922 -5.091 -3.445
25 2HG ARG 5 1HG ARG 5 15.885 -3.710 -2.966
26 1HD ARG 5 2HD ARG 5 17.012 -5.610 -2.052
27 2HD ARG 5 1HD ARG 5 16.184 -4.884 -0.679
28 HE ARG 5 HE ARG 5 14.512 -6.640 -0.800
29 1HH1 ARG 5 1HH2 ARG 5 15.320 -6.972 -3.845
30 2HH1 ARG 5 2HH2 ARG 5 15.869 -8.615 -3.807
31 1HH2 ARG 5 2HH1 ARG 5 15.992 -8.716 -0.317
32 2HH2 ARG 5 1HH1 ARG 5 16.265 -9.622 -1.767
33 H GLY 6 H GLY 6 13.804 -1.161 -4.616
34 1HA GLY 6 2HA GLY 6 13.335 -2.638 -6.849
35 2HA GLY 6 1HA GLY 6 11.698 -2.423 -6.223
36 H SER 7 H SER 7 13.134 0.223 -5.141
37 HA SER 7 HA SER 7 12.920 1.847 -7.637
38 1HB SER 7 2HB SER 7 11.545 2.408 -4.952
39 2HB SER 7 1HB SER 7 11.622 3.564 -6.294
40 HG SER 7 HG SER 7 10.651 0.907 -6.480
41 H ARG 8 H ARG 8 14.360 3.559 -7.715
42 HA ARG 8 HA ARG 8 16.622 3.446 -5.886
43 1HB ARG 8 2HB ARG 8 17.622 5.076 -7.416
44 2HB ARG 8 1HB ARG 8 16.818 3.835 -8.343
45 1HG ARG 8 2HG ARG 8 14.764 5.657 -8.016
46 2HG ARG 8 1HG ARG 8 16.145 6.710 -8.049
47 1HD ARG 8 2HD ARG 8 16.564 4.864 -10.203
48 2HD ARG 8 1HD ARG 8 14.870 5.331 -10.273
49 HE ARG 8 HE ARG 8 15.777 7.745 -10.138
50 1HH1 ARG 8 2HH1 ARG 8 18.301 8.204 -10.272
51 2HH1 ARG 8 1HH1 ARG 8 18.915 7.814 -11.844
52 1HH2 ARG 8 1HH2 ARG 8 16.140 5.844 -12.664
53 2HH2 ARG 8 2HH2 ARG 8 17.660 6.447 -13.233
54 H CYS 9 H CYS 9 17.454 5.981 -5.622
55 HA CYS 9 HA CYS 9 15.421 7.189 -3.861
56 1HB CYS 9 2HB CYS 9 17.101 7.808 -2.351
57 2HB CYS 9 1HB CYS 9 17.496 6.185 -2.817
58 HA HYP 10 HA HYP 10 15.207 8.909 -2.719
59 1HB HYP 10 1HB HYP 10 15.015 11.004 -1.954
60 2HB HYP 10 2HB HYP 10 13.580 11.214 -2.940
61 1HD HYP 10 1HD1 HYP 10 17.096 11.242 -5.164
62 2HD HYP 10 2HD1 HYP 10 15.528 11.171 -5.981
63 HOD HYP 10 HD2 HYP 10 17.046 11.611 -2.898
64 HG HYP 10 HG HYP 10 14.850 12.724 -4.318
65 HA HYP 11 HA HYP 11 12.722 10.032 -1.536
66 1HB HYP 11 1HB HYP 11 10.685 9.494 -0.743
67 2HB HYP 11 2HB HYP 11 11.172 7.824 -0.535
68 1HD HYP 11 1HD1 HYP 11 10.747 9.133 -4.392
69 2HD HYP 11 2HD1 HYP 11 11.225 7.434 -4.266
70 HOD HYP 11 HD2 HYP 11 9.650 10.036 -2.642
71 HG HYP 11 HG HYP 11 9.860 7.210 -2.358
72 H GLN 12 H GLN 12 14.279 9.654 -0.066
73 HA GLN 12 HA GLN 12 16.373 7.912 -0.294
74 1HB GLN 12 2HB GLN 12 16.201 9.776 1.371
75 2HB GLN 12 1HB GLN 12 15.139 8.786 2.354
76 1HG GLN 12 2HG GLN 12 16.951 7.109 2.665
77 2HG GLN 12 1HG GLN 12 18.011 8.034 1.606
78 1HE2 GLN 12 2HE2 GLN 12 18.498 10.662 4.038
79 2HE2 GLN 12 1HE2 GLN 12 18.344 10.420 2.364
80 H CYS 13 H CYS 13 16.612 5.741 -0.229
81 HA CYS 13 HA CYS 13 14.529 3.931 0.091
82 1HB CYS 13 2HB CYS 13 17.193 2.964 1.019
83 2HB CYS 13 1HB CYS 13 16.049 2.282 -0.086
84 H CYS 14 H CYS 14 13.668 2.793 1.596
85 HA CYS 14 HA CYS 14 13.360 3.746 4.216
86 1HB CYS 14 2HB CYS 14 12.808 0.967 3.159
87 2HB CYS 14 1HB CYS 14 12.069 1.677 4.562
88 H MET 15 H MET 15 13.589 2.358 6.180
89 HA MET 15 HA MET 15 16.282 2.054 6.869
90 1HB MET 15 2HB MET 15 14.349 2.318 8.475
91 2HB MET 15 1HB MET 15 13.885 0.660 8.153
92 1HG MET 15 2HG MET 15 15.784 -0.218 9.209
93 2HG MET 15 1HG MET 15 16.704 1.250 9.046
94 1HE MET 15 3HE MET 15 15.896 3.477 10.212
95 2HE MET 15 2HE MET 15 15.868 3.394 11.957
96 3HE MET 15 1HE MET 15 17.256 2.740 11.091
97 H GLY 16 H GLY 16 17.719 0.555 6.534
98 1HA GLY 16 2HA GLY 16 18.494 -1.723 6.508
99 2HA GLY 16 1HA GLY 16 16.931 -2.214 5.878
100 H LEU 17 H LEU 17 16.936 0.097 3.951
101 HA LEU 17 HA LEU 17 18.588 -1.205 1.912
102 1HB LEU 17 2HB LEU 17 16.292 0.761 1.776
103 2HB LEU 17 1HB LEU 17 17.320 0.521 0.387
104 HG LEU 17 HG LEU 17 16.694 -2.102 1.237
105 1HD1 LEU 17 2HD1 LEU 17 14.800 -1.086 2.532
106 2HD1 LEU 17 1HD1 LEU 17 14.198 -0.385 1.030
107 3HD1 LEU 17 3HD1 LEU 17 14.254 -2.132 1.225
108 1HD2 LEU 17 3HD2 LEU 17 16.891 -0.857 -1.137
109 2HD2 LEU 17 2HD2 LEU 17 16.057 -2.376 -0.940
110 3HD2 LEU 17 1HD2 LEU 17 15.151 -0.867 -0.999
111 H ARG 18 H ARG 18 19.491 0.115 0.282
112 HA ARG 18 HA ARG 18 20.715 2.694 1.034
113 1HB ARG 18 2HB ARG 18 22.829 1.558 -0.177
114 2HB ARG 18 1HB ARG 18 22.586 1.428 1.552
115 1HG ARG 18 2HG ARG 18 21.790 -0.781 1.386
116 2HG ARG 18 1HG ARG 18 21.392 -0.630 -0.305
117 1HD ARG 18 2HD ARG 18 23.410 -2.028 -0.068
118 2HD ARG 18 1HD ARG 18 23.822 -0.522 -0.887
119 HE ARG 18 HE ARG 18 24.194 -0.035 1.845
120 1HH1 ARG 18 1HH2 ARG 18 25.187 -2.589 2.425
121 2HH1 ARG 18 2HH2 ARG 18 26.813 -2.616 1.832
122 1HH2 ARG 18 1HH1 ARG 18 27.481 -1.024 0.296
123 2HH2 ARG 18 2HH1 ARG 18 26.337 0.164 -0.236
124 H CYS 19 H CYS 19 21.251 3.871 -0.735
125 HA CYS 19 HA CYS 19 19.619 3.459 -3.100
126 1HB CYS 19 2HB CYS 19 20.218 5.657 -1.980
127 2HB CYS 19 1HB CYS 19 21.777 5.551 -2.741
128 H GLY 20 H GLY 20 20.292 1.689 -4.314
129 1HA GLY 20 2HA GLY 20 23.073 1.331 -5.130
130 2HA GLY 20 1HA GLY 20 21.683 0.397 -5.692
131 H ARG 21 H ARG 21 23.259 3.517 -6.038
132 HA ARG 21 HA ARG 21 21.726 4.380 -8.293
133 1HB ARG 21 2HB ARG 21 23.511 6.197 -8.359
134 2HB ARG 21 1HB ARG 21 22.660 6.030 -6.845
135 1HG ARG 21 2HG ARG 21 24.518 5.362 -5.689
136 2HG ARG 21 1HG ARG 21 25.090 4.320 -6.977
137 1HD ARG 21 2HD ARG 21 26.689 6.140 -6.681
138 2HD ARG 21 1HD ARG 21 25.875 6.370 -8.227
139 HE ARG 21 HE ARG 21 24.620 7.761 -5.961
140 1HH1 ARG 21 2HH1 ARG 21 24.063 9.021 -8.362
141 2HH1 ARG 21 1HH1 ARG 21 25.297 10.216 -8.590
142 1HH2 ARG 21 1HH2 ARG 21 27.458 8.713 -6.279
143 2HH2 ARG 21 2HH2 ARG 21 27.273 10.033 -7.384
144 H GLY 22 H GLY 22 23.289 1.784 -8.533
145 1HA GLY 22 2HA GLY 22 25.308 2.238 -10.590
146 2HA GLY 22 1HA GLY 22 24.671 0.679 -10.069
147 H ASN 23 H ASN 23 23.590 -0.357 -11.595
148 HA ASN 23 HA ASN 23 21.591 0.969 -13.253
149 1HB ASN 23 2HB ASN 23 23.644 1.464 -14.544
150 2HB ASN 23 1HB ASN 23 24.050 -0.248 -14.583
151 1HD2 ASN 23 2HD2 ASN 23 21.620 -1.042 -17.061
152 2HD2 ASN 23 1HD2 ASN 23 22.624 -1.676 -15.847
153 HA PRO 24 HA PRO 24 19.703 0.460 -13.998
154 1HB PRO 24 2HB PRO 24 17.417 -0.563 -12.764
155 2HB PRO 24 1HB PRO 24 17.803 -0.644 -14.474
156 1HG PRO 24 2HG PRO 24 17.890 -2.813 -12.476
157 2HG PRO 24 1HG PRO 24 17.912 -2.934 -14.231
158 1HD PRO 24 2HD PRO 24 20.151 -3.271 -12.461
159 2HD PRO 24 1HD PRO 24 20.208 -3.214 -14.231
160 H GLN 25 H GLN 25 19.240 2.202 -12.735
161 HA GLN 25 HA GLN 25 20.316 2.345 -10.077
162 1HB GLN 25 2HB GLN 25 18.458 4.221 -11.613
163 2HB GLN 25 1HB GLN 25 19.206 4.637 -10.077
164 1HG GLN 25 2HG GLN 25 21.456 4.342 -11.056
165 2HG GLN 25 1HG GLN 25 20.755 3.823 -12.584
166 1HE2 GLN 25 2HE2 GLN 25 19.746 7.113 -13.546
167 2HE2 GLN 25 1HE2 GLN 25 19.368 5.468 -13.732
168 H LYS 26 H LYS 26 19.442 1.425 -8.393
169 HA LYS 26 HA LYS 26 16.670 1.819 -7.617
170 1HB LYS 26 2HB LYS 26 17.520 -0.674 -8.970
171 2HB LYS 26 1HB LYS 26 16.768 -0.986 -7.423
172 1HG LYS 26 2HG LYS 26 14.734 -0.247 -8.062
173 2HG LYS 26 1HG LYS 26 15.329 1.044 -9.067
174 1HD LYS 26 2HD LYS 26 16.132 -1.069 -10.594
175 2HD LYS 26 1HD LYS 26 14.781 -1.820 -9.764
176 1HE LYS 26 2HE LYS 26 13.788 -0.865 -11.699
177 2HE LYS 26 1HE LYS 26 13.434 0.319 -10.451
178 1HZ LYS 26 1HZ LYS 26 15.599 1.409 -11.188
179 2HZ LYS 26 3HZ LYS 26 15.474 0.436 -12.570
180 3HZ LYS 26 2HZ LYS 26 14.252 1.554 -12.204
181 H CYS 27 H CYS 27 16.220 1.142 -5.408
182 HA CYS 27 HA CYS 27 18.622 1.195 -3.791
183 1HB CYS 27 2HB CYS 27 15.736 0.806 -2.845
184 2HB CYS 27 1HB CYS 27 17.139 1.097 -1.898
185 H ILE 28 H ILE 28 19.302 -0.476 -2.487
186 HA ILE 28 HA ILE 28 18.069 -3.167 -2.826
187 HB ILE 28 HB ILE 28 20.360 -4.101 -2.980
188 1HG1 ILE 28 2HG1 ILE 28 21.391 -2.073 -1.710
189 2HG1 ILE 28 1HG1 ILE 28 22.299 -2.847 -2.943
190 1HG2 ILE 28 3HG2 ILE 28 19.671 -2.055 -5.123
191 2HG2 ILE 28 2HG2 ILE 28 20.977 -3.218 -5.282
192 3HG2 ILE 28 1HG2 ILE 28 19.322 -3.773 -5.106
193 1HD1 ILE 28 1HD1 ILE 28 20.715 -0.564 -3.928
194 2HD1 ILE 28 3HD1 ILE 28 21.958 -0.175 -2.752
195 3HD1 ILE 28 2HD1 ILE 28 22.386 -1.024 -4.228
196 H GLY 29 H GLY 29 19.579 -4.530 -1.092
197 1HA GLY 29 2HA GLY 29 19.070 -3.071 1.415
198 2HA GLY 29 1HA GLY 29 19.179 -4.780 1.294
199 H ALA 30 H ALA 30 20.520 -2.664 2.902
200 HA ALA 30 HA ALA 30 23.381 -2.840 2.234
201 1HB ALA 30 1HB ALA 30 21.735 -1.006 3.711
202 2HB ALA 30 3HB ALA 30 22.787 -1.748 4.900
203 3HB ALA 30 2HB ALA 30 23.475 -0.919 3.517
204 H HIS 31 H HIS 31 21.007 -3.815 4.546
205 HA HIS 31 HA HIS 31 22.791 -5.776 5.901
206 1HB HIS 31 2HB HIS 31 20.130 -4.439 6.494
207 2HB HIS 31 1HB HIS 31 20.339 -6.060 7.140
208 HD1 HIS 31 HD1 HIS 31 21.398 -2.642 7.743
209 HD2 HIS 31 HD2 HIS 31 22.634 -6.352 8.911
210 HE1 HIS 31 HE1 HIS 31 22.888 -2.301 9.681
211 1HN CGU 32 HN CGU 32 22.759 -6.428 3.511
212 HA CGU 32 HA CGU 32 21.121 -8.840 3.240
213 1HB CGU 32 1HB CGU 32 21.075 -6.602 1.146
214 2HB CGU 32 2HB CGU 32 19.789 -6.996 2.261
215 HG CGU 32 HG CGU 32 19.966 -9.396 1.238
216 H ASP 33 H ASP 33 22.856 -10.019 3.298
217 HA ASP 33 HA ASP 33 24.923 -9.727 1.156
218 1HB ASP 33 2HB ASP 33 25.630 -9.140 3.610
219 2HB ASP 33 1HB ASP 33 25.472 -10.852 3.946
220 H VAL 34 H VAL 34 22.695 -11.075 0.651
221 HA VAL 34 HA VAL 34 23.532 -13.943 0.765
222 HB VAL 34 HB VAL 34 21.661 -13.480 2.357
223 1HG1 VAL 34 1HG1 VAL 34 20.596 -11.592 1.110
224 2HG1 VAL 34 3HG1 VAL 34 20.021 -12.728 -0.106
225 3HG1 VAL 34 2HG1 VAL 34 19.436 -12.835 1.545
226 1HG2 VAL 34 2HG2 VAL 34 21.871 -15.703 1.117
227 2HG2 VAL 34 1HG2 VAL 34 20.268 -15.336 1.725
228 3HG2 VAL 34 3HG2 VAL 34 20.624 -15.132 0.021
No H/Q in entry = 228
Start of MODEL 7
1 1H ALA 1 3H ALA 1 7.895 10.226 0.725
2 2H ALA 1 2H ALA 1 6.785 10.320 2.009
3 3H ALA 1 1H ALA 1 8.452 10.234 2.330
4 HA ALA 1 HA ALA 1 7.611 8.098 2.750
5 1HB ALA 1 3HB ALA 1 6.263 8.407 0.030
6 2HB ALA 1 2HB ALA 1 6.312 6.893 0.920
7 3HB ALA 1 1HB ALA 1 5.460 8.278 1.585
8 H CYS 2 H CYS 2 9.421 7.025 2.695
9 HA CYS 2 HA CYS 2 11.570 7.275 0.886
10 1HB CYS 2 2HB CYS 2 12.365 5.156 2.023
11 2HB CYS 2 1HB CYS 2 11.996 6.449 3.109
12 H SER 3 H SER 3 12.593 5.116 0.050
13 HA SER 3 HA SER 3 10.756 3.985 -2.018
14 1HB SER 3 2HB SER 3 13.665 4.736 -1.952
15 2HB SER 3 1HB SER 3 13.245 3.342 -2.939
16 HG SER 3 HG SER 3 11.759 4.518 -4.006
17 H GLY 4 H GLY 4 10.862 1.706 -2.475
18 1HA GLY 4 2HA GLY 4 11.651 0.067 -0.113
19 2HA GLY 4 1HA GLY 4 10.459 -0.380 -1.332
20 H ARG 5 H ARG 5 12.258 -2.267 -0.882
21 HA ARG 5 HA ARG 5 14.698 -2.060 -2.412
22 1HB ARG 5 2HB ARG 5 14.204 -3.704 -0.527
23 2HB ARG 5 1HB ARG 5 13.184 -4.588 -1.640
24 1HG ARG 5 2HG ARG 5 15.285 -4.674 -3.202
25 2HG ARG 5 1HG ARG 5 16.189 -4.090 -1.817
26 1HD ARG 5 2HD ARG 5 16.316 -6.532 -1.894
27 2HD ARG 5 1HD ARG 5 15.349 -6.065 -0.494
28 HE ARG 5 HE ARG 5 13.395 -6.388 -2.323
29 1HH1 ARG 5 2HH1 ARG 5 14.852 -7.922 -4.213
30 2HH1 ARG 5 1HH1 ARG 5 14.762 -9.554 -3.638
31 1HH2 ARG 5 1HH2 ARG 5 13.840 -8.565 -0.403
32 2HH2 ARG 5 2HH2 ARG 5 14.173 -9.927 -1.422
33 H GLY 6 H GLY 6 14.227 -1.309 -4.388
34 1HA GLY 6 2HA GLY 6 14.172 -2.530 -6.672
35 2HA GLY 6 1HA GLY 6 12.497 -2.885 -6.250
36 H SER 7 H SER 7 12.921 -0.085 -4.805
37 HA SER 7 HA SER 7 11.812 1.531 -7.033
38 1HB SER 7 2HB SER 7 12.015 2.076 -4.025
39 2HB SER 7 1HB SER 7 11.181 3.121 -5.187
40 HG SER 7 HG SER 7 10.601 0.474 -4.420
41 H ARG 8 H ARG 8 12.764 3.679 -7.343
42 HA ARG 8 HA ARG 8 15.683 3.586 -7.274
43 1HB ARG 8 2HB ARG 8 15.592 5.583 -8.638
44 2HB ARG 8 1HB ARG 8 14.235 4.610 -9.162
45 1HG ARG 8 2HG ARG 8 12.730 5.931 -7.667
46 2HG ARG 8 1HG ARG 8 14.074 6.920 -7.175
47 1HD ARG 8 2HD ARG 8 14.300 7.215 -9.889
48 2HD ARG 8 1HD ARG 8 12.552 7.040 -9.714
49 HE ARG 8 HE ARG 8 13.494 8.811 -7.699
50 1HH1 ARG 8 2HH1 ARG 8 11.280 9.184 -9.808
51 2HH1 ARG 8 1HH1 ARG 8 11.840 10.617 -10.602
52 1HH2 ARG 8 1HH2 ARG 8 15.057 10.352 -9.232
53 2HH2 ARG 8 2HH2 ARG 8 14.038 11.304 -10.260
54 H CYS 9 H CYS 9 16.299 6.212 -6.868
55 HA CYS 9 HA CYS 9 15.402 7.061 -4.267
56 1HB CYS 9 2HB CYS 9 17.966 6.939 -3.489
57 2HB CYS 9 1HB CYS 9 16.836 5.650 -3.220
58 HA HYP 10 HA HYP 10 15.435 8.686 -3.111
59 1HB HYP 10 1HB HYP 10 15.523 10.724 -2.234
60 2HB HYP 10 2HB HYP 10 14.154 11.186 -3.216
61 1HD HYP 10 1HD1 HYP 10 17.798 10.825 -5.230
62 2HD HYP 10 2HD1 HYP 10 16.340 11.003 -6.213
63 HOD HYP 10 HD2 HYP 10 17.569 11.227 -2.955
64 HG HYP 10 HG HYP 10 15.633 12.541 -4.567
65 HA HYP 11 HA HYP 11 12.893 10.039 -2.024
66 1HB HYP 11 1HB HYP 11 10.812 9.436 -1.456
67 2HB HYP 11 2HB HYP 11 11.416 7.839 -1.040
68 1HD HYP 11 1HD1 HYP 11 10.992 9.201 -4.834
69 2HD HYP 11 2HD1 HYP 11 11.622 7.552 -4.981
70 HOD HYP 11 HD2 HYP 11 9.076 8.488 -2.211
71 HG HYP 11 HG HYP 11 10.563 6.875 -2.978
72 H GLN 12 H GLN 12 14.355 9.696 -0.465
73 HA GLN 12 HA GLN 12 16.462 7.913 -0.628
74 1HB GLN 12 2HB GLN 12 15.157 9.154 1.828
75 2HB GLN 12 1HB GLN 12 16.677 8.279 1.910
76 1HG GLN 12 2HG GLN 12 17.698 9.860 0.278
77 2HG GLN 12 1HG GLN 12 16.173 10.727 0.146
78 1HE2 GLN 12 2HE2 GLN 12 18.214 10.969 3.716
79 2HE2 GLN 12 1HE2 GLN 12 18.306 9.541 2.803
80 H CYS 13 H CYS 13 16.696 5.771 -0.308
81 HA CYS 13 HA CYS 13 14.521 4.032 -0.010
82 1HB CYS 13 2HB CYS 13 17.160 3.108 1.028
83 2HB CYS 13 1HB CYS 13 16.021 2.338 -0.027
84 H CYS 14 H CYS 14 13.580 2.992 1.554
85 HA CYS 14 HA CYS 14 13.261 4.117 4.103
86 1HB CYS 14 2HB CYS 14 12.680 1.292 3.181
87 2HB CYS 14 1HB CYS 14 11.994 2.033 4.594
88 H MET 15 H MET 15 13.512 2.850 6.179
89 HA MET 15 HA MET 15 16.224 2.539 6.811
90 1HB MET 15 2HB MET 15 14.161 2.944 8.346
91 2HB MET 15 1HB MET 15 13.955 1.209 8.342
92 1HG MET 15 2HG MET 15 16.737 1.848 8.906
93 2HG MET 15 1HG MET 15 15.714 2.798 9.936
94 1HE MET 15 3HE MET 15 17.365 -0.255 9.059
95 2HE MET 15 2HE MET 15 16.980 -1.431 10.283
96 3HE MET 15 1HE MET 15 15.907 -1.249 8.887
97 H GLY 16 H GLY 16 17.602 0.902 6.669
98 1HA GLY 16 2HA GLY 16 18.242 -1.414 6.795
99 2HA GLY 16 1HA GLY 16 16.652 -1.853 6.188
100 H LEU 17 H LEU 17 16.790 0.321 4.130
101 HA LEU 17 HA LEU 17 18.342 -1.178 2.164
102 1HB LEU 17 2HB LEU 17 16.459 1.184 1.847
103 2HB LEU 17 1HB LEU 17 17.182 0.360 0.494
104 HG LEU 17 HG LEU 17 15.103 -0.669 2.439
105 1HD1 LEU 17 3HD1 LEU 17 14.335 0.823 0.668
106 2HD1 LEU 17 2HD1 LEU 17 14.973 -0.278 -0.544
107 3HD1 LEU 17 1HD1 LEU 17 13.669 -0.792 0.524
108 1HD2 LEU 17 3HD2 LEU 17 16.738 -2.541 1.819
109 2HD2 LEU 17 2HD2 LEU 17 15.088 -2.812 1.314
110 3HD2 LEU 17 1HD2 LEU 17 16.278 -2.284 0.138
111 H ARG 18 H ARG 18 19.401 0.049 0.499
112 HA ARG 18 HA ARG 18 20.751 2.566 1.248
113 1HB ARG 18 2HB ARG 18 22.791 1.165 0.040
114 2HB ARG 18 1HB ARG 18 22.611 1.370 1.766
115 1HG ARG 18 2HG ARG 18 21.774 -0.737 2.119
116 2HG ARG 18 1HG ARG 18 21.253 -0.991 0.471
117 1HD ARG 18 2HD ARG 18 24.172 -0.862 1.359
118 2HD ARG 18 1HD ARG 18 23.304 -2.327 0.895
119 HE ARG 18 HE ARG 18 23.030 -0.446 -1.195
120 1HH1 ARG 18 1HH2 ARG 18 24.228 -3.372 -0.796
121 2HH1 ARG 18 2HH2 ARG 18 25.721 -3.172 -1.652
122 1HH2 ARG 18 2HH1 ARG 18 25.395 0.317 -1.784
123 2HH2 ARG 18 1HH1 ARG 18 26.400 -1.021 -2.232
124 H CYS 19 H CYS 19 21.255 3.708 -0.551
125 HA CYS 19 HA CYS 19 19.709 3.081 -2.945
126 1HB CYS 19 2HB CYS 19 19.822 5.343 -2.081
127 2HB CYS 19 1HB CYS 19 21.542 5.400 -2.351
128 H GLY 20 H GLY 20 20.414 1.611 -4.321
129 1HA GLY 20 2HA GLY 20 23.259 1.296 -5.003
130 2HA GLY 20 1HA GLY 20 21.903 0.364 -5.664
131 H ARG 21 H ARG 21 23.908 3.107 -6.093
132 HA ARG 21 HA ARG 21 22.331 4.607 -7.888
133 1HB ARG 21 2HB ARG 21 24.749 4.998 -6.697
134 2HB ARG 21 1HB ARG 21 25.306 4.589 -8.308
135 1HG ARG 21 2HG ARG 21 23.790 6.345 -9.257
136 2HG ARG 21 1HG ARG 21 23.247 6.730 -7.633
137 1HD ARG 21 2HD ARG 21 25.847 7.080 -7.163
138 2HD ARG 21 1HD ARG 21 25.917 7.288 -8.912
139 HE ARG 21 HE ARG 21 23.796 8.898 -8.115
140 1HH1 ARG 21 1HH2 ARG 21 25.348 9.152 -5.573
141 2HH1 ARG 21 2HH2 ARG 21 26.362 10.520 -5.892
142 1HH2 ARG 21 2HH1 ARG 21 25.825 10.357 -9.352
143 2HH2 ARG 21 1HH1 ARG 21 26.639 11.221 -8.090
144 H GLY 22 H GLY 22 22.469 4.869 -10.099
145 1HA GLY 22 2HA GLY 22 23.806 3.554 -12.094
146 2HA GLY 22 1HA GLY 22 22.553 2.389 -11.636
147 H ASN 23 H ASN 23 21.401 2.598 -13.550
148 HA ASN 23 HA ASN 23 19.578 4.870 -13.665
149 1HB ASN 23 2HB ASN 23 21.699 5.586 -14.951
150 2HB ASN 23 1HB ASN 23 21.275 4.378 -16.151
151 1HD2 ASN 23 2HD2 ASN 23 18.195 6.176 -17.035
152 2HD2 ASN 23 1HD2 ASN 23 18.669 4.587 -16.675
153 HA PRO 24 HA PRO 24 17.589 4.850 -13.503
154 1HB PRO 24 2HB PRO 24 15.513 3.264 -12.508
155 2HB PRO 24 1HB PRO 24 15.407 4.458 -13.791
156 1HG PRO 24 2HG PRO 24 15.342 1.528 -14.033
157 2HG PRO 24 1HG PRO 24 14.929 2.738 -15.239
158 1HD PRO 24 2HD PRO 24 17.325 1.145 -15.145
159 2HD PRO 24 1HD PRO 24 16.969 2.461 -16.279
160 H GLN 25 H GLN 25 18.052 5.170 -11.383
161 HA GLN 25 HA GLN 25 19.776 3.403 -9.952
162 1HB GLN 25 2HB GLN 25 18.025 5.636 -8.821
163 2HB GLN 25 1HB GLN 25 19.424 4.938 -8.022
164 1HG GLN 25 2HG GLN 25 20.913 5.764 -9.794
165 2HG GLN 25 1HG GLN 25 19.547 6.368 -10.718
166 1HE2 GLN 25 2HE2 GLN 25 21.214 8.838 -8.156
167 2HE2 GLN 25 1HE2 GLN 25 21.968 7.514 -8.901
168 H LYS 26 H LYS 26 19.352 2.121 -8.059
169 HA LYS 26 HA LYS 26 16.551 1.575 -7.329
170 1HB LYS 26 2HB LYS 26 18.321 -0.394 -8.790
171 2HB LYS 26 1HB LYS 26 17.162 -0.991 -7.622
172 1HG LYS 26 2HG LYS 26 15.322 0.207 -8.863
173 2HG LYS 26 1HG LYS 26 16.502 0.719 -10.053
174 1HD LYS 26 2HD LYS 26 15.578 -1.182 -11.052
175 2HD LYS 26 1HD LYS 26 17.076 -1.786 -10.375
176 1HE LYS 26 2HE LYS 26 14.502 -1.943 -8.779
177 2HE LYS 26 1HE LYS 26 14.872 -3.153 -9.991
178 1HZ LYS 26 2HZ LYS 26 17.179 -3.009 -8.645
179 2HZ LYS 26 1HZ LYS 26 16.053 -2.726 -7.406
180 3HZ LYS 26 3HZ LYS 26 15.949 -4.140 -8.343
181 H CYS 27 H CYS 27 16.371 1.286 -5.247
182 HA CYS 27 HA CYS 27 18.631 1.090 -3.514
183 1HB CYS 27 2HB CYS 27 15.684 0.708 -2.733
184 2HB CYS 27 1HB CYS 27 17.041 1.020 -1.720
185 H ILE 28 H ILE 28 19.257 -0.543 -2.251
186 HA ILE 28 HA ILE 28 18.152 -3.285 -2.641
187 HB ILE 28 HB ILE 28 20.575 -4.049 -2.496
188 1HG1 ILE 28 2HG1 ILE 28 21.160 -1.627 -1.498
189 2HG1 ILE 28 1HG1 ILE 28 22.334 -2.623 -2.292
190 1HG2 ILE 28 1HG2 ILE 28 19.790 -2.323 -4.868
191 2HG2 ILE 28 3HG2 ILE 28 21.164 -3.421 -4.864
192 3HG2 ILE 28 2HG2 ILE 28 19.537 -4.047 -4.667
193 1HD1 ILE 28 1HD1 ILE 28 20.730 -0.583 -3.816
194 2HD1 ILE 28 3HD1 ILE 28 22.201 -0.165 -2.956
195 3HD1 ILE 28 2HD1 ILE 28 22.255 -1.344 -4.259
196 H GLY 29 H GLY 29 19.737 -4.497 -0.746
197 1HA GLY 29 2HA GLY 29 18.978 -3.021 1.706
198 2HA GLY 29 1HA GLY 29 19.011 -4.749 1.601
199 H ALA 30 H ALA 30 20.326 -2.808 3.378
200 HA ALA 30 HA ALA 30 23.144 -2.662 2.912
201 1HB ALA 30 3HB ALA 30 21.361 -2.423 5.329
202 2HB ALA 30 2HB ALA 30 23.108 -2.452 5.541
203 3HB ALA 30 1HB ALA 30 22.361 -1.202 4.562
204 H HIS 31 H HIS 31 21.082 -5.126 4.135
205 HA HIS 31 HA HIS 31 23.334 -6.844 5.004
206 1HB HIS 31 2HB HIS 31 21.114 -6.581 6.327
207 2HB HIS 31 1HB HIS 31 20.342 -7.496 5.038
208 HD1 HIS 31 HD1 HIS 31 20.618 -9.988 5.231
209 HD2 HIS 31 HD2 HIS 31 23.264 -8.080 7.684
210 HE1 HIS 31 HE1 HIS 31 21.707 -11.745 6.576
211 1HN CGU 32 HN CGU 32 22.994 -6.068 2.313
212 HA CGU 32 HA CGU 32 23.407 -8.570 0.952
213 1HB CGU 32 1HB CGU 32 20.850 -7.002 0.465
214 2HB CGU 32 2HB CGU 32 20.976 -8.672 0.915
215 HG CGU 32 HG CGU 32 22.496 -8.151 -1.574
216 H ASP 33 H ASP 33 25.330 -7.571 0.452
217 HA ASP 33 HA ASP 33 25.238 -5.096 -1.200
218 1HB ASP 33 2HB ASP 33 27.385 -6.533 0.419
219 2HB ASP 33 1HB ASP 33 27.815 -5.293 -0.752
220 H VAL 34 H VAL 34 24.118 -7.076 -2.325
221 HA VAL 34 HA VAL 34 25.942 -7.948 -4.506
222 HB VAL 34 HB VAL 34 23.683 -9.739 -3.500
223 1HG1 VAL 34 1HG1 VAL 34 26.185 -10.162 -5.186
224 2HG1 VAL 34 3HG1 VAL 34 25.206 -11.492 -4.584
225 3HG1 VAL 34 2HG1 VAL 34 24.509 -10.321 -5.692
226 1HG2 VAL 34 1HG2 VAL 34 26.566 -9.738 -2.500
227 2HG2 VAL 34 3HG2 VAL 34 25.116 -9.501 -1.535
228 3HG2 VAL 34 2HG2 VAL 34 25.441 -11.065 -2.255
No H/Q in entry = 228
Start of MODEL 8
1 1H ALA 1 2H ALA 1 7.228 9.356 0.510
2 2H ALA 1 1H ALA 1 5.848 9.281 1.502
3 3H ALA 1 3H ALA 1 7.228 10.126 2.024
4 HA ALA 1 HA ALA 1 7.683 8.267 3.137
5 1HB ALA 1 3HB ALA 1 5.441 7.292 2.525
6 2HB ALA 1 2HB ALA 1 6.137 6.694 1.027
7 3HB ALA 1 1HB ALA 1 6.698 6.066 2.571
8 H CYS 2 H CYS 2 9.294 6.691 3.003
9 HA CYS 2 HA CYS 2 11.421 7.150 1.201
10 1HB CYS 2 2HB CYS 2 12.337 5.028 2.221
11 2HB CYS 2 1HB CYS 2 11.881 6.219 3.390
12 H SER 3 H SER 3 12.528 5.106 0.172
13 HA SER 3 HA SER 3 10.633 4.021 -1.877
14 1HB SER 3 2HB SER 3 13.602 4.687 -1.915
15 2HB SER 3 1HB SER 3 12.950 3.519 -3.068
16 HG SER 3 HG SER 3 11.729 6.027 -2.584
17 H GLY 4 H GLY 4 10.763 1.814 -2.431
18 1HA GLY 4 2HA GLY 4 11.745 0.058 -0.225
19 2HA GLY 4 1HA GLY 4 10.481 -0.356 -1.373
20 H ARG 5 H ARG 5 12.413 -2.155 -1.014
21 HA ARG 5 HA ARG 5 14.681 -1.885 -2.757
22 1HB ARG 5 2HB ARG 5 13.980 -3.640 -0.785
23 2HB ARG 5 1HB ARG 5 13.576 -4.635 -2.167
24 1HG ARG 5 2HG ARG 5 15.830 -4.491 -3.040
25 2HG ARG 5 1HG ARG 5 16.241 -3.197 -1.927
26 1HD ARG 5 2HD ARG 5 17.215 -5.178 -1.002
27 2HD ARG 5 1HD ARG 5 15.797 -4.849 -0.011
28 HE ARG 5 HE ARG 5 14.791 -6.530 -1.940
29 1HH1 ARG 5 2HH1 ARG 5 17.629 -7.486 -2.217
30 2HH1 ARG 5 1HH1 ARG 5 17.692 -8.759 -1.041
31 1HH2 ARG 5 1HH2 ARG 5 14.757 -7.784 0.555
32 2HH2 ARG 5 2HH2 ARG 5 16.044 -8.948 0.520
33 H GLY 6 H GLY 6 14.094 -1.204 -4.690
34 1HA GLY 6 2HA GLY 6 13.780 -2.620 -6.916
35 2HA GLY 6 1HA GLY 6 12.105 -2.640 -6.357
36 H SER 7 H SER 7 13.044 0.121 -5.133
37 HA SER 7 HA SER 7 12.524 1.781 -7.563
38 1HB SER 7 2HB SER 7 11.623 2.223 -4.659
39 2HB SER 7 1HB SER 7 11.351 3.363 -5.986
40 HG SER 7 HG SER 7 9.601 2.107 -6.065
41 H ARG 8 H ARG 8 13.778 3.627 -7.734
42 HA ARG 8 HA ARG 8 16.372 3.566 -6.416
43 1HB ARG 8 2HB ARG 8 16.844 5.530 -7.885
44 2HB ARG 8 1HB ARG 8 16.159 4.200 -8.777
45 1HG ARG 8 2HG ARG 8 13.942 5.764 -7.819
46 2HG ARG 8 1HG ARG 8 15.117 6.884 -8.444
47 1HD ARG 8 2HD ARG 8 14.634 4.495 -10.192
48 2HD ARG 8 1HD ARG 8 13.275 5.591 -10.012
49 HE ARG 8 HE ARG 8 15.987 6.478 -10.925
50 1HH1 ARG 8 1HH2 ARG 8 13.731 8.358 -9.978
51 2HH1 ARG 8 2HH2 ARG 8 13.095 8.881 -11.502
52 1HH2 ARG 8 2HH1 ARG 8 14.713 6.332 -13.281
53 2HH2 ARG 8 1HH1 ARG 8 13.665 7.704 -13.421
54 H CYS 9 H CYS 9 17.038 6.133 -6.101
55 HA CYS 9 HA CYS 9 15.206 7.244 -4.093
56 1HB CYS 9 2HB CYS 9 16.787 7.308 -2.415
57 2HB CYS 9 1HB CYS 9 17.225 5.835 -3.208
58 HA HYP 10 HA HYP 10 15.223 8.789 -2.777
59 1HB HYP 10 1HB HYP 10 15.319 10.745 -1.691
60 2HB HYP 10 2HB HYP 10 13.943 11.315 -2.605
61 1HD HYP 10 1HD1 HYP 10 17.522 11.145 -4.756
62 2HD HYP 10 2HD1 HYP 10 16.008 11.432 -5.624
63 HOD HYP 10 HD2 HYP 10 17.492 11.234 -2.589
64 HG HYP 10 HG HYP 10 15.457 12.810 -3.765
65 HA HYP 11 HA HYP 11 12.633 10.041 -1.500
66 1HB HYP 11 1HB HYP 11 10.635 9.255 -0.865
67 2HB HYP 11 2HB HYP 11 11.266 7.615 -0.835
68 1HD HYP 11 1HD1 HYP 11 10.737 9.635 -4.307
69 2HD HYP 11 2HD1 HYP 11 11.292 8.007 -4.728
70 HOD HYP 11 HD2 HYP 11 8.850 8.586 -1.761
71 HG HYP 11 HG HYP 11 10.222 7.071 -2.836
72 H GLN 12 H GLN 12 14.219 9.647 -0.105
73 HA GLN 12 HA GLN 12 16.315 7.889 -0.493
74 1HB GLN 12 2HB GLN 12 15.172 9.111 2.048
75 2HB GLN 12 1HB GLN 12 16.609 8.109 2.113
76 1HG GLN 12 2HG GLN 12 16.308 10.600 0.362
77 2HG GLN 12 1HG GLN 12 17.172 10.546 1.890
78 1HE2 GLN 12 2HE2 GLN 12 19.245 9.637 -1.328
79 2HE2 GLN 12 1HE2 GLN 12 17.871 10.616 -1.322
80 H CYS 13 H CYS 13 16.610 5.757 -0.290
81 HA CYS 13 HA CYS 13 14.477 3.968 0.028
82 1HB CYS 13 2HB CYS 13 17.181 3.050 0.894
83 2HB CYS 13 1HB CYS 13 16.004 2.294 -0.128
84 H CYS 14 H CYS 14 13.590 2.931 1.587
85 HA CYS 14 HA CYS 14 13.363 3.923 4.184
86 1HB CYS 14 2HB CYS 14 12.843 1.094 3.253
87 2HB CYS 14 1HB CYS 14 12.133 1.842 4.651
88 H MET 15 H MET 15 13.764 2.736 6.228
89 HA MET 15 HA MET 15 16.506 2.401 6.719
90 1HB MET 15 2HB MET 15 14.619 2.865 8.410
91 2HB MET 15 1HB MET 15 14.270 1.149 8.376
92 1HG MET 15 2HG MET 15 16.808 0.846 8.934
93 2HG MET 15 1HG MET 15 16.783 2.544 9.311
94 1HE MET 15 3HE MET 15 14.777 -0.752 10.056
95 2HE MET 15 2HE MET 15 16.478 -0.943 10.548
96 3HE MET 15 1HE MET 15 15.201 -0.923 11.750
97 H GLY 16 H GLY 16 17.851 0.817 6.385
98 1HA GLY 16 2HA GLY 16 18.487 -1.528 6.579
99 2HA GLY 16 1HA GLY 16 16.890 -1.954 5.980
100 H LEU 17 H LEU 17 16.932 0.194 3.955
101 HA LEU 17 HA LEU 17 18.440 -1.244 1.929
102 1HB LEU 17 2HB LEU 17 16.590 1.152 1.702
103 2HB LEU 17 1HB LEU 17 17.248 0.313 0.323
104 HG LEU 17 HG LEU 17 15.142 -0.593 2.305
105 1HD1 LEU 17 1HD1 LEU 17 14.459 0.754 0.355
106 2HD1 LEU 17 3HD1 LEU 17 15.111 -0.483 -0.710
107 3HD1 LEU 17 2HD1 LEU 17 13.764 -0.854 0.358
108 1HD2 LEU 17 1HD2 LEU 17 16.697 -2.558 1.924
109 2HD2 LEU 17 3HD2 LEU 17 15.098 -2.811 1.249
110 3HD2 LEU 17 2HD2 LEU 17 16.427 -2.373 0.194
111 H ARG 18 H ARG 18 19.439 -0.005 0.221
112 HA ARG 18 HA ARG 18 20.890 2.460 0.951
113 1HB ARG 18 2HB ARG 18 22.805 0.970 -0.447
114 2HB ARG 18 1HB ARG 18 22.778 1.271 1.277
115 1HG ARG 18 2HG ARG 18 21.905 -0.779 1.799
116 2HG ARG 18 1HG ARG 18 21.256 -1.098 0.218
117 1HD ARG 18 2HD ARG 18 23.213 -2.491 0.333
118 2HD ARG 18 1HD ARG 18 23.701 -1.118 -0.653
119 HE ARG 18 HE ARG 18 24.307 -0.335 1.932
120 1HH1 ARG 18 1HH2 ARG 18 26.016 -1.399 -0.541
121 2HH1 ARG 18 2HH2 ARG 18 27.134 -2.409 0.318
122 1HH2 ARG 18 2HH1 ARG 18 25.260 -2.308 3.277
123 2HH2 ARG 18 1HH1 ARG 18 26.693 -2.936 2.532
124 H CYS 19 H CYS 19 21.179 3.706 -0.742
125 HA CYS 19 HA CYS 19 19.610 3.259 -3.142
126 1HB CYS 19 2HB CYS 19 20.058 5.458 -1.956
127 2HB CYS 19 1HB CYS 19 21.641 5.453 -2.671
128 H GLY 20 H GLY 20 20.391 1.589 -4.407
129 1HA GLY 20 2HA GLY 20 23.222 1.381 -5.124
130 2HA GLY 20 1HA GLY 20 21.904 0.386 -5.743
131 H ARG 21 H ARG 21 23.813 3.196 -6.293
132 HA ARG 21 HA ARG 21 22.226 4.405 -8.328
133 1HB ARG 21 2HB ARG 21 24.205 5.453 -7.068
134 2HB ARG 21 1HB ARG 21 25.262 4.523 -8.109
135 1HG ARG 21 2HG ARG 21 23.653 5.667 -10.015
136 2HG ARG 21 1HG ARG 21 23.489 6.872 -8.758
137 1HD ARG 21 2HD ARG 21 26.304 6.248 -8.950
138 2HD ARG 21 1HD ARG 21 25.696 6.454 -10.585
139 HE ARG 21 HE ARG 21 24.913 8.699 -9.949
140 1HH1 ARG 21 2HH1 ARG 21 24.886 8.162 -6.981
141 2HH1 ARG 21 1HH1 ARG 21 26.273 9.053 -6.446
142 1HH2 ARG 21 1HH2 ARG 21 27.583 9.336 -9.684
143 2HH2 ARG 21 2HH2 ARG 21 27.840 9.735 -8.018
144 H GLY 22 H GLY 22 21.696 3.470 -10.159
145 1HA GLY 22 2HA GLY 22 23.713 2.002 -11.777
146 2HA GLY 22 1HA GLY 22 22.212 1.170 -11.367
147 H ASN 23 H ASN 23 21.365 1.060 -13.401
148 HA ASN 23 HA ASN 23 20.150 3.493 -14.449
149 1HB ASN 23 2HB ASN 23 22.544 3.434 -15.389
150 2HB ASN 23 1HB ASN 23 22.062 2.023 -16.314
151 1HD2 ASN 23 2HD2 ASN 23 20.538 5.711 -17.261
152 2HD2 ASN 23 1HD2 ASN 23 21.258 5.451 -15.744
153 HA PRO 24 HA PRO 24 18.198 3.682 -14.198
154 1HB PRO 24 2HB PRO 24 15.812 2.744 -13.188
155 2HB PRO 24 1HB PRO 24 16.019 3.532 -14.746
156 1HG PRO 24 2HG PRO 24 15.571 0.648 -14.178
157 2HG PRO 24 1HG PRO 24 15.258 1.542 -15.659
158 1HD PRO 24 2HD PRO 24 17.475 -0.203 -15.167
159 2HD PRO 24 1HD PRO 24 17.298 0.886 -16.552
160 H GLN 25 H GLN 25 18.773 4.210 -12.173
161 HA GLN 25 HA GLN 25 20.022 2.482 -10.351
162 1HB GLN 25 2HB GLN 25 18.494 4.866 -9.283
163 2HB GLN 25 1HB GLN 25 20.052 4.260 -8.792
164 1HG GLN 25 2HG GLN 25 21.059 5.781 -10.124
165 2HG GLN 25 1HG GLN 25 20.366 5.024 -11.540
166 1HE2 GLN 25 2HE2 GLN 25 19.271 8.668 -11.019
167 2HE2 GLN 25 1HE2 GLN 25 20.785 7.950 -10.755
168 H LYS 26 H LYS 26 19.390 1.735 -8.246
169 HA LYS 26 HA LYS 26 16.578 1.574 -7.519
170 1HB LYS 26 2HB LYS 26 17.853 -0.579 -9.088
171 2HB LYS 26 1HB LYS 26 17.178 -1.187 -7.593
172 1HG LYS 26 2HG LYS 26 15.012 -0.075 -8.139
173 2HG LYS 26 1HG LYS 26 15.656 0.423 -9.684
174 1HD LYS 26 2HD LYS 26 15.607 -2.496 -8.805
175 2HD LYS 26 1HD LYS 26 14.291 -1.762 -9.696
176 1HE LYS 26 2HE LYS 26 17.177 -2.028 -10.658
177 2HE LYS 26 1HE LYS 26 15.776 -2.883 -11.282
178 1HZ LYS 26 1HZ LYS 26 15.035 -0.305 -11.483
179 2HZ LYS 26 3HZ LYS 26 16.690 -0.234 -11.849
180 3HZ LYS 26 2HZ LYS 26 15.669 -1.256 -12.739
181 H CYS 27 H CYS 27 16.263 1.097 -5.361
182 HA CYS 27 HA CYS 27 18.595 1.030 -3.692
183 1HB CYS 27 2HB CYS 27 15.689 0.605 -2.815
184 2HB CYS 27 1HB CYS 27 17.066 0.975 -1.845
185 H ILE 28 H ILE 28 19.315 -0.611 -2.475
186 HA ILE 28 HA ILE 28 18.198 -3.366 -2.817
187 HB ILE 28 HB ILE 28 20.604 -4.133 -2.699
188 1HG1 ILE 28 2HG1 ILE 28 21.214 -1.707 -1.694
189 2HG1 ILE 28 1HG1 ILE 28 22.388 -2.688 -2.506
190 1HG2 ILE 28 2HG2 ILE 28 19.793 -2.387 -5.054
191 2HG2 ILE 28 1HG2 ILE 28 21.194 -3.450 -5.068
192 3HG2 ILE 28 3HG2 ILE 28 19.587 -4.119 -4.869
193 1HD1 ILE 28 2HD1 ILE 28 20.762 -0.644 -3.997
194 2HD1 ILE 28 1HD1 ILE 28 22.238 -0.230 -3.132
195 3HD1 ILE 28 3HD1 ILE 28 22.291 -1.389 -4.453
196 H GLY 29 H GLY 29 19.833 -4.565 -0.930
197 1HA GLY 29 2HA GLY 29 19.118 -3.090 1.537
198 2HA GLY 29 1HA GLY 29 19.123 -4.818 1.431
199 H ALA 30 H ALA 30 20.554 -2.712 3.069
200 HA ALA 30 HA ALA 30 23.399 -3.049 2.509
201 1HB ALA 30 3HB ALA 30 21.743 -1.632 4.598
202 2HB ALA 30 2HB ALA 30 23.408 -2.005 5.005
203 3HB ALA 30 1HB ALA 30 23.054 -0.994 3.620
204 H HIS 31 H HIS 31 21.011 -4.264 4.704
205 HA HIS 31 HA HIS 31 22.882 -6.084 6.081
206 1HB HIS 31 2HB HIS 31 19.974 -5.273 6.395
207 2HB HIS 31 1HB HIS 31 20.517 -6.758 7.163
208 HD1 HIS 31 HD1 HIS 31 21.424 -3.120 7.150
209 HD2 HIS 31 HD2 HIS 31 21.919 -6.415 9.512
210 HE1 HIS 31 HE1 HIS 31 22.454 -2.324 9.250
211 1HN CGU 32 HN CGU 32 23.008 -6.605 3.530
212 HA CGU 32 HA CGU 32 21.994 -9.341 3.293
213 1HB CGU 32 1HB CGU 32 21.184 -7.108 1.385
214 2HB CGU 32 2HB CGU 32 20.110 -8.109 2.326
215 HG CGU 32 HG CGU 32 21.863 -9.774 0.650
216 H ASP 33 H ASP 33 24.140 -9.844 3.410
217 HA ASP 33 HA ASP 33 25.964 -8.910 1.248
218 1HB ASP 33 2HB ASP 33 26.575 -8.981 3.815
219 2HB ASP 33 1HB ASP 33 26.703 -10.717 3.604
220 H VAL 34 H VAL 34 23.763 -10.471 0.689
221 HA VAL 34 HA VAL 34 24.838 -13.169 0.021
222 HB VAL 34 HB VAL 34 21.926 -12.241 -0.069
223 1HG1 VAL 34 2HG1 VAL 34 23.197 -15.018 0.032
224 2HG1 VAL 34 1HG1 VAL 34 21.473 -14.689 0.012
225 3HG1 VAL 34 3HG1 VAL 34 22.456 -14.290 -1.384
226 1HG2 VAL 34 3HG2 VAL 34 23.467 -13.565 2.210
227 2HG2 VAL 34 2HG2 VAL 34 22.654 -12.006 2.256
228 3HG2 VAL 34 1HG2 VAL 34 21.715 -13.483 2.140
No H/Q in entry = 228
Start of MODEL 9
1 1H ALA 1 3H ALA 1 9.239 10.659 3.079
2 2H ALA 1 2H ALA 1 7.697 10.308 3.701
3 3H ALA 1 1H ALA 1 9.052 9.443 4.250
4 HA ALA 1 HA ALA 1 7.807 8.088 2.741
5 1HB ALA 1 1HB ALA 1 8.285 10.382 0.784
6 2HB ALA 1 3HB ALA 1 7.598 8.824 0.346
7 3HB ALA 1 2HB ALA 1 6.728 9.893 1.435
8 H CYS 2 H CYS 2 9.084 6.484 2.104
9 HA CYS 2 HA CYS 2 11.843 7.074 1.146
10 1HB CYS 2 2HB CYS 2 12.448 4.955 2.259
11 2HB CYS 2 1HB CYS 2 11.951 6.139 3.416
12 H SER 3 H SER 3 12.748 4.977 0.157
13 HA SER 3 HA SER 3 10.786 3.997 -1.889
14 1HB SER 3 2HB SER 3 12.670 5.247 -2.875
15 2HB SER 3 1HB SER 3 13.846 4.212 -2.047
16 HG SER 3 HG SER 3 12.954 2.440 -3.181
17 H GLY 4 H GLY 4 10.620 1.827 -2.279
18 1HA GLY 4 2HA GLY 4 11.573 0.021 -0.131
19 2HA GLY 4 1HA GLY 4 10.379 -0.366 -1.374
20 H ARG 5 H ARG 5 12.114 -2.273 -1.061
21 HA ARG 5 HA ARG 5 14.548 -1.963 -2.602
22 1HB ARG 5 2HB ARG 5 14.201 -3.643 -0.712
23 2HB ARG 5 1HB ARG 5 13.144 -4.555 -1.766
24 1HG ARG 5 2HG ARG 5 14.893 -5.187 -3.220
25 2HG ARG 5 1HG ARG 5 15.903 -3.832 -2.771
26 1HD ARG 5 2HD ARG 5 16.968 -5.631 -1.682
27 2HD ARG 5 1HD ARG 5 15.959 -5.007 -0.382
28 HE ARG 5 HE ARG 5 14.292 -6.822 -1.571
29 1HH1 ARG 5 2HH1 ARG 5 17.254 -7.754 -2.280
30 2HH1 ARG 5 1HH1 ARG 5 17.394 -9.067 -1.158
31 1HH2 ARG 5 1HH2 ARG 5 14.546 -8.106 0.639
32 2HH2 ARG 5 2HH2 ARG 5 15.827 -9.269 0.535
33 H GLY 6 H GLY 6 13.735 -1.097 -4.499
34 1HA GLY 6 2HA GLY 6 13.572 -2.625 -6.763
35 2HA GLY 6 1HA GLY 6 11.889 -2.546 -6.243
36 H SER 7 H SER 7 13.230 0.203 -5.135
37 HA SER 7 HA SER 7 12.919 1.778 -7.648
38 1HB SER 7 2HB SER 7 11.360 2.061 -5.037
39 2HB SER 7 1HB SER 7 11.605 3.469 -6.090
40 HG SER 7 HG SER 7 10.609 0.933 -6.877
41 H ARG 8 H ARG 8 14.116 3.736 -7.608
42 HA ARG 8 HA ARG 8 16.468 3.626 -5.868
43 1HB ARG 8 2HB ARG 8 17.318 5.374 -7.365
44 2HB ARG 8 1HB ARG 8 16.683 4.018 -8.254
45 1HG ARG 8 2HG ARG 8 14.560 5.999 -7.759
46 2HG ARG 8 1HG ARG 8 15.939 6.744 -8.519
47 1HD ARG 8 2HD ARG 8 15.836 4.758 -10.224
48 2HD ARG 8 1HD ARG 8 14.225 4.480 -9.573
49 HE ARG 8 HE ARG 8 15.126 6.943 -10.994
50 1HH1 ARG 8 2HH1 ARG 8 12.966 7.308 -8.873
51 2HH1 ARG 8 1HH1 ARG 8 11.536 7.177 -9.836
52 1HH2 ARG 8 1HH2 ARG 8 13.212 5.756 -12.553
53 2HH2 ARG 8 2HH2 ARG 8 11.672 6.283 -11.961
54 H CYS 9 H CYS 9 17.314 6.053 -5.567
55 HA CYS 9 HA CYS 9 15.398 7.330 -3.743
56 1HB CYS 9 2HB CYS 9 17.251 8.040 -2.416
57 2HB CYS 9 1HB CYS 9 17.419 6.337 -2.715
58 HA HYP 10 HA HYP 10 15.097 9.086 -2.765
59 1HB HYP 10 1HB HYP 10 14.776 11.224 -2.140
60 2HB HYP 10 2HB HYP 10 13.356 11.283 -3.160
61 1HD HYP 10 1HD1 HYP 10 17.005 11.368 -5.177
62 2HD HYP 10 2HD1 HYP 10 15.534 11.179 -6.142
63 HOD HYP 10 HD2 HYP 10 16.709 11.970 -2.946
64 HG HYP 10 HG HYP 10 14.572 12.740 -4.654
65 HA HYP 11 HA HYP 11 12.639 9.955 -1.704
66 1HB HYP 11 1HB HYP 11 10.527 9.401 -1.101
67 2HB HYP 11 2HB HYP 11 11.128 7.838 -0.592
68 1HD HYP 11 1HD1 HYP 11 10.742 8.672 -4.595
69 2HD HYP 11 2HD1 HYP 11 11.452 7.074 -4.327
70 HOD HYP 11 HD2 HYP 11 8.498 8.253 -2.223
71 HG HYP 11 HG HYP 11 10.113 6.786 -2.417
72 H GLN 12 H GLN 12 14.214 9.636 -0.222
73 HA GLN 12 HA GLN 12 16.330 7.918 -0.414
74 1HB GLN 12 2HB GLN 12 16.165 9.801 1.216
75 2HB GLN 12 1HB GLN 12 15.074 8.853 2.209
76 1HG GLN 12 2HG GLN 12 16.832 7.194 2.659
77 2HG GLN 12 1HG GLN 12 17.914 7.965 1.509
78 1HE2 GLN 12 2HE2 GLN 12 19.055 10.351 3.824
79 2HE2 GLN 12 1HE2 GLN 12 19.189 9.681 2.269
80 H CYS 13 H CYS 13 16.596 5.755 -0.321
81 HA CYS 13 HA CYS 13 14.557 3.909 0.020
82 1HB CYS 13 2HB CYS 13 17.223 3.029 1.013
83 2HB CYS 13 1HB CYS 13 16.117 2.297 -0.101
84 H CYS 14 H CYS 14 13.671 2.809 1.548
85 HA CYS 14 HA CYS 14 13.353 3.830 4.151
86 1HB CYS 14 2HB CYS 14 12.774 1.019 3.195
87 2HB CYS 14 1HB CYS 14 12.025 1.820 4.546
88 H MET 15 H MET 15 13.525 2.418 6.131
89 HA MET 15 HA MET 15 16.192 2.160 6.905
90 1HB MET 15 2HB MET 15 14.100 2.327 8.385
91 2HB MET 15 1HB MET 15 13.862 0.613 8.124
92 1HG MET 15 2HG MET 15 16.558 0.806 8.893
93 2HG MET 15 1HG MET 15 15.763 1.997 9.875
94 1HE MET 15 1HE MET 15 13.403 1.322 11.110
95 2HE MET 15 3HE MET 15 13.722 0.145 12.366
96 3HE MET 15 2HE MET 15 14.836 1.488 12.156
97 H GLY 16 H GLY 16 17.683 0.711 6.616
98 1HA GLY 16 2HA GLY 16 18.575 -1.504 6.584
99 2HA GLY 16 1HA GLY 16 17.031 -2.092 5.995
100 H LEU 17 H LEU 17 16.965 0.218 4.012
101 HA LEU 17 HA LEU 17 18.572 -1.134 1.976
102 1HB LEU 17 2HB LEU 17 16.316 0.867 1.832
103 2HB LEU 17 1HB LEU 17 17.329 0.581 0.441
104 HG LEU 17 HG LEU 17 16.654 -2.014 1.353
105 1HD1 LEU 17 3HD1 LEU 17 14.221 -0.204 1.154
106 2HD1 LEU 17 2HD1 LEU 17 14.185 -1.958 1.250
107 3HD1 LEU 17 1HD1 LEU 17 14.770 -1.015 2.619
108 1HD2 LEU 17 2HD2 LEU 17 16.882 -0.813 -1.047
109 2HD2 LEU 17 1HD2 LEU 17 16.036 -2.321 -0.824
110 3HD2 LEU 17 3HD2 LEU 17 15.143 -0.805 -0.918
111 H ARG 18 H ARG 18 19.494 0.087 0.326
112 HA ARG 18 HA ARG 18 20.773 2.676 0.941
113 1HB ARG 18 2HB ARG 18 22.858 1.473 -0.214
114 2HB ARG 18 1HB ARG 18 22.618 1.385 1.515
115 1HG ARG 18 2HG ARG 18 21.796 -0.834 1.379
116 2HG ARG 18 1HG ARG 18 21.405 -0.700 -0.315
117 1HD ARG 18 2HD ARG 18 23.401 -2.100 -0.108
118 2HD ARG 18 1HD ARG 18 23.859 -0.578 -0.867
119 HE ARG 18 HE ARG 18 24.210 -0.133 1.851
120 1HH1 ARG 18 1HH2 ARG 18 26.308 -0.387 -0.413
121 2HH1 ARG 18 2HH2 ARG 18 27.391 -1.544 0.288
122 1HH2 ARG 18 2HH1 ARG 18 25.108 -2.492 2.767
123 2HH2 ARG 18 1HH1 ARG 18 26.694 -2.765 2.127
124 H CYS 19 H CYS 19 21.211 3.776 -0.860
125 HA CYS 19 HA CYS 19 19.608 3.198 -3.219
126 1HB CYS 19 2HB CYS 19 20.177 5.469 -2.140
127 2HB CYS 19 1HB CYS 19 21.676 5.394 -3.014
128 H GLY 20 H GLY 20 20.391 1.373 -4.274
129 1HA GLY 20 2HA GLY 20 23.166 0.992 -4.993
130 2HA GLY 20 1HA GLY 20 21.789 0.092 -5.629
131 H ARG 21 H ARG 21 23.944 2.695 -6.216
132 HA ARG 21 HA ARG 21 22.540 4.092 -8.220
133 1HB ARG 21 2HB ARG 21 24.899 4.513 -7.011
134 2HB ARG 21 1HB ARG 21 25.527 3.742 -8.453
135 1HG ARG 21 2HG ARG 21 23.932 5.459 -9.725
136 2HG ARG 21 1HG ARG 21 23.948 6.320 -8.199
137 1HD ARG 21 2HD ARG 21 25.754 7.253 -9.480
138 2HD ARG 21 1HD ARG 21 26.538 6.173 -8.330
139 HE ARG 21 HE ARG 21 25.848 4.886 -10.867
140 1HH1 ARG 21 1HH2 ARG 21 28.112 3.862 -9.486
141 2HH1 ARG 21 2HH2 ARG 21 29.479 4.618 -10.236
142 1HH2 ARG 21 2HH1 ARG 21 27.535 7.149 -11.681
143 2HH2 ARG 21 1HH1 ARG 21 29.143 6.527 -11.512
144 H GLY 22 H GLY 22 22.619 3.993 -10.453
145 1HA GLY 22 2HA GLY 22 23.970 2.240 -12.147
146 2HA GLY 22 1HA GLY 22 22.536 1.353 -11.616
147 H ASN 23 H ASN 23 21.786 1.403 -13.792
148 HA ASN 23 HA ASN 23 20.201 3.801 -14.384
149 1HB ASN 23 2HB ASN 23 22.556 4.041 -15.458
150 2HB ASN 23 1HB ASN 23 22.033 2.809 -16.592
151 1HD2 ASN 23 2HD2 ASN 23 20.742 6.590 -17.033
152 2HD2 ASN 23 1HD2 ASN 23 21.926 6.150 -15.897
153 HA PRO 24 HA PRO 24 18.241 3.880 -14.197
154 1HB PRO 24 2HB PRO 24 15.925 2.656 -13.297
155 2HB PRO 24 1HB PRO 24 16.072 3.677 -14.718
156 1HG PRO 24 2HG PRO 24 15.736 0.743 -14.599
157 2HG PRO 24 1HG PRO 24 15.481 1.827 -15.960
158 1HD PRO 24 2HD PRO 24 17.731 0.083 -15.552
159 2HD PRO 24 1HD PRO 24 17.550 1.291 -16.834
160 H GLN 25 H GLN 25 19.015 4.206 -12.196
161 HA GLN 25 HA GLN 25 20.134 2.210 -10.541
162 1HB GLN 25 2HB GLN 25 20.061 4.012 -8.729
163 2HB GLN 25 1HB GLN 25 20.884 4.444 -10.214
164 1HG GLN 25 2HG GLN 25 19.035 5.675 -11.034
165 2HG GLN 25 1HG GLN 25 17.978 5.077 -9.768
166 1HE2 GLN 25 2HE2 GLN 25 19.767 7.135 -7.244
167 2HE2 GLN 25 1HE2 GLN 25 19.347 5.500 -7.431
168 H LYS 26 H LYS 26 19.460 1.618 -8.319
169 HA LYS 26 HA LYS 26 16.661 1.820 -7.549
170 1HB LYS 26 2HB LYS 26 17.630 -0.516 -9.076
171 2HB LYS 26 1HB LYS 26 16.943 -0.997 -7.541
172 1HG LYS 26 2HG LYS 26 14.861 0.073 -8.002
173 2HG LYS 26 1HG LYS 26 15.464 0.871 -9.431
174 1HD LYS 26 2HD LYS 26 15.628 -2.151 -9.314
175 2HD LYS 26 1HD LYS 26 14.066 -1.421 -9.603
176 1HE LYS 26 2HE LYS 26 14.885 -1.688 -11.790
177 2HE LYS 26 1HE LYS 26 15.317 -0.019 -11.465
178 1HZ LYS 26 2HZ LYS 26 17.355 -1.739 -10.543
179 2HZ LYS 26 1HZ LYS 26 16.990 -2.091 -12.165
180 3HZ LYS 26 3HZ LYS 26 17.420 -0.512 -11.716
181 H CYS 27 H CYS 27 16.284 1.174 -5.367
182 HA CYS 27 HA CYS 27 18.683 1.057 -3.763
183 1HB CYS 27 2HB CYS 27 15.800 0.814 -2.802
184 2HB CYS 27 1HB CYS 27 17.220 1.095 -1.873
185 H ILE 28 H ILE 28 19.249 -0.609 -2.419
186 HA ILE 28 HA ILE 28 17.896 -3.243 -2.678
187 HB ILE 28 HB ILE 28 20.120 -4.309 -2.843
188 1HG1 ILE 28 2HG1 ILE 28 21.255 -2.275 -1.610
189 2HG1 ILE 28 1HG1 ILE 28 22.124 -3.196 -2.765
190 1HG2 ILE 28 1HG2 ILE 28 19.607 -2.249 -5.025
191 2HG2 ILE 28 3HG2 ILE 28 20.789 -3.542 -5.154
192 3HG2 ILE 28 2HG2 ILE 28 19.087 -3.923 -4.981
193 1HD1 ILE 28 3HD1 ILE 28 20.715 -0.781 -3.791
194 2HD1 ILE 28 2HD1 ILE 28 22.140 -0.562 -2.794
195 3HD1 ILE 28 1HD1 ILE 28 22.243 -1.505 -4.274
196 H GLY 29 H GLY 29 19.306 -4.624 -0.881
197 1HA GLY 29 2HA GLY 29 18.969 -3.018 1.558
198 2HA GLY 29 1HA GLY 29 18.973 -4.741 1.511
199 H ALA 30 H ALA 30 20.528 -2.665 2.979
200 HA ALA 30 HA ALA 30 23.319 -2.971 2.136
201 1HB ALA 30 3HB ALA 30 21.950 -1.053 3.639
202 2HB ALA 30 2HB ALA 30 22.782 -1.955 4.889
203 3HB ALA 30 1HB ALA 30 23.696 -1.206 3.594
204 H HIS 31 H HIS 31 21.163 -3.985 4.647
205 HA HIS 31 HA HIS 31 23.069 -5.969 5.760
206 1HB HIS 31 2HB HIS 31 21.202 -4.293 6.965
207 2HB HIS 31 1HB HIS 31 20.285 -5.784 6.886
208 HD1 HIS 31 HD1 HIS 31 22.495 -4.184 9.060
209 HD2 HIS 31 HD2 HIS 31 22.124 -8.079 7.896
210 HE1 HIS 31 HE1 HIS 31 23.640 -5.534 10.778
211 1HN CGU 32 HN CGU 32 22.256 -6.333 3.169
212 HA CGU 32 HA CGU 32 20.315 -8.581 3.116
213 1HB CGU 32 1HB CGU 32 21.579 -7.123 0.787
214 2HB CGU 32 2HB CGU 32 20.264 -6.405 1.669
215 HG CGU 32 HG CGU 32 19.951 -9.217 0.677
216 H ASP 33 H ASP 33 21.892 -8.975 0.565
217 HA ASP 33 HA ASP 33 24.242 -10.491 1.583
218 1HB ASP 33 2HB ASP 33 22.017 -11.906 1.206
219 2HB ASP 33 1HB ASP 33 22.378 -11.723 -0.499
220 H VAL 34 H VAL 34 23.926 -8.022 0.228
221 HA VAL 34 HA VAL 34 24.849 -8.427 -2.538
222 HB VAL 34 HB VAL 34 24.552 -5.853 -0.905
223 1HG1 VAL 34 1HG1 VAL 34 24.962 -6.347 -3.890
224 2HG1 VAL 34 3HG1 VAL 34 24.513 -4.792 -3.210
225 3HG1 VAL 34 2HG1 VAL 34 26.062 -5.507 -2.809
226 1HG2 VAL 34 3HG2 VAL 34 22.662 -7.227 -2.870
227 2HG2 VAL 34 2HG2 VAL 34 22.383 -6.949 -1.161
228 3HG2 VAL 34 1HG2 VAL 34 22.437 -5.593 -2.268
No H/Q in entry = 228
Start of MODEL 10
1 1H ALA 1 2H ALA 1 8.529 10.554 1.137
2 2H ALA 1 1H ALA 1 7.447 10.858 2.412
3 3H ALA 1 3H ALA 1 9.121 11.031 2.657
4 HA ALA 1 HA ALA 1 8.513 8.994 3.641
5 1HB ALA 1 3HB ALA 1 6.345 8.829 2.287
6 2HB ALA 1 2HB ALA 1 7.301 8.200 0.955
7 3HB ALA 1 1HB ALA 1 7.200 7.306 2.465
8 H CYS 2 H CYS 2 9.136 6.615 2.490
9 HA CYS 2 HA CYS 2 11.777 7.103 1.200
10 1HB CYS 2 2HB CYS 2 12.428 4.990 2.306
11 2HB CYS 2 1HB CYS 2 12.007 6.185 3.484
12 H SER 3 H SER 3 12.529 4.921 0.231
13 HA SER 3 HA SER 3 10.391 3.902 -1.612
14 1HB SER 3 2HB SER 3 13.046 5.042 -2.141
15 2HB SER 3 1HB SER 3 12.896 3.452 -2.868
16 HG SER 3 HG SER 3 11.137 5.658 -3.128
17 H GLY 4 H GLY 4 10.395 1.726 -2.117
18 1HA GLY 4 2HA GLY 4 11.627 -0.043 -0.079
19 2HA GLY 4 1HA GLY 4 10.340 -0.480 -1.197
20 H ARG 5 H ARG 5 12.253 -2.265 -0.955
21 HA ARG 5 HA ARG 5 14.527 -1.955 -2.658
22 1HB ARG 5 2HB ARG 5 14.193 -3.696 -0.802
23 2HB ARG 5 1HB ARG 5 13.194 -4.596 -1.926
24 1HG ARG 5 2HG ARG 5 15.047 -4.825 -3.503
25 2HG ARG 5 1HG ARG 5 16.025 -3.698 -2.593
26 1HD ARG 5 2HD ARG 5 16.759 -5.998 -2.093
27 2HD ARG 5 1HD ARG 5 16.017 -5.316 -0.649
28 HE ARG 5 HE ARG 5 14.119 -6.726 -0.980
29 1HH1 ARG 5 2HH1 ARG 5 13.529 -6.701 -3.750
30 2HH1 ARG 5 1HH1 ARG 5 14.125 -8.210 -4.358
31 1HH2 ARG 5 1HH2 ARG 5 16.207 -8.724 -1.582
32 2HH2 ARG 5 2HH2 ARG 5 15.675 -9.399 -3.084
33 H GLY 6 H GLY 6 13.745 -1.080 -4.525
34 1HA GLY 6 2HA GLY 6 13.523 -2.568 -6.812
35 2HA GLY 6 1HA GLY 6 11.846 -2.421 -6.295
36 H SER 7 H SER 7 13.118 0.251 -5.084
37 HA SER 7 HA SER 7 12.967 1.890 -7.574
38 1HB SER 7 2HB SER 7 11.594 3.560 -6.219
39 2HB SER 7 1HB SER 7 10.751 2.020 -6.430
40 HG SER 7 HG SER 7 12.087 1.535 -4.338
41 H ARG 8 H ARG 8 14.382 3.555 -7.625
42 HA ARG 8 HA ARG 8 16.623 3.517 -5.790
43 1HB ARG 8 2HB ARG 8 17.504 5.296 -7.312
44 2HB ARG 8 1HB ARG 8 16.929 3.896 -8.170
45 1HG ARG 8 2HG ARG 8 14.704 5.760 -7.819
46 2HG ARG 8 1HG ARG 8 16.071 6.607 -8.496
47 1HD ARG 8 2HD ARG 8 16.237 4.898 -10.305
48 2HD ARG 8 1HD ARG 8 14.848 4.052 -9.621
49 HE ARG 8 HE ARG 8 13.806 6.522 -9.949
50 1HH1 ARG 8 1HH2 ARG 8 15.783 7.391 -11.856
51 2HH1 ARG 8 2HH2 ARG 8 15.196 6.812 -13.381
52 1HH2 ARG 8 2HH1 ARG 8 13.012 4.515 -11.888
53 2HH2 ARG 8 1HH1 ARG 8 13.586 5.142 -13.399
54 H CYS 9 H CYS 9 17.409 6.075 -5.605
55 HA CYS 9 HA CYS 9 15.431 7.307 -3.811
56 1HB CYS 9 2HB CYS 9 17.205 8.008 -2.390
57 2HB CYS 9 1HB CYS 9 17.451 6.322 -2.727
58 HA HYP 10 HA HYP 10 15.148 9.051 -2.805
59 1HB HYP 10 1HB HYP 10 14.865 11.157 -2.134
60 2HB HYP 10 2HB HYP 10 13.431 11.255 -3.133
61 1HD HYP 10 1HD1 HYP 10 17.081 11.360 -5.159
62 2HD HYP 10 2HD1 HYP 10 15.621 11.194 -6.142
63 HOD HYP 10 HD2 HYP 10 15.943 13.525 -3.169
64 HG HYP 10 HG HYP 10 14.636 12.720 -4.639
65 HA HYP 11 HA HYP 11 12.623 9.954 -1.722
66 1HB HYP 11 1HB HYP 11 10.627 9.246 -0.944
67 2HB HYP 11 2HB HYP 11 11.243 7.614 -0.764
68 1HD HYP 11 1HD1 HYP 11 10.786 8.806 -4.663
69 2HD HYP 11 2HD1 HYP 11 11.415 7.175 -4.404
70 HOD HYP 11 HD2 HYP 11 9.695 9.779 -2.989
71 HG HYP 11 HG HYP 11 9.911 6.974 -2.580
72 H GLN 12 H GLN 12 14.048 9.579 -0.034
73 HA GLN 12 HA GLN 12 16.297 7.983 -0.340
74 1HB GLN 12 2HB GLN 12 15.987 9.798 1.380
75 2HB GLN 12 1HB GLN 12 14.968 8.718 2.303
76 1HG GLN 12 2HG GLN 12 17.358 7.222 1.838
77 2HG GLN 12 1HG GLN 12 17.907 8.853 2.176
78 1HE2 GLN 12 2HE2 GLN 12 17.058 8.711 5.591
79 2HE2 GLN 12 1HE2 GLN 12 17.681 9.646 4.318
80 H CYS 13 H CYS 13 16.651 5.771 -0.216
81 HA CYS 13 HA CYS 13 14.540 3.940 0.004
82 1HB CYS 13 2HB CYS 13 17.188 2.992 0.994
83 2HB CYS 13 1HB CYS 13 16.074 2.298 -0.133
84 H CYS 14 H CYS 14 13.632 2.816 1.540
85 HA CYS 14 HA CYS 14 13.351 3.823 4.150
86 1HB CYS 14 2HB CYS 14 12.740 1.047 3.117
87 2HB CYS 14 1HB CYS 14 12.055 1.756 4.550
88 H MET 15 H MET 15 13.586 2.474 6.137
89 HA MET 15 HA MET 15 16.268 2.157 6.827
90 1HB MET 15 2HB MET 15 14.264 2.396 8.396
91 2HB MET 15 1HB MET 15 13.929 0.695 8.141
92 1HG MET 15 2HG MET 15 16.209 0.145 8.980
93 2HG MET 15 1HG MET 15 16.517 1.837 9.245
94 1HE MET 15 3HE MET 15 14.781 3.278 10.754
95 2HE MET 15 2HE MET 15 14.825 2.754 12.423
96 3HE MET 15 1HE MET 15 16.336 2.907 11.536
97 H GLY 16 H GLY 16 17.717 0.647 6.560
98 1HA GLY 16 2HA GLY 16 18.516 -1.614 6.537
99 2HA GLY 16 1HA GLY 16 16.955 -2.126 5.917
100 H LEU 17 H LEU 17 16.920 0.145 3.971
101 HA LEU 17 HA LEU 17 18.557 -1.161 1.930
102 1HB LEU 17 2HB LEU 17 16.274 0.815 1.798
103 2HB LEU 17 1HB LEU 17 17.295 0.557 0.408
104 HG LEU 17 HG LEU 17 16.653 -2.055 1.291
105 1HD1 LEU 17 3HD1 LEU 17 14.193 -0.278 1.117
106 2HD1 LEU 17 2HD1 LEU 17 14.185 -2.034 1.198
107 3HD1 LEU 17 1HD1 LEU 17 14.759 -1.095 2.573
108 1HD2 LEU 17 1HD2 LEU 17 16.884 -0.844 -1.086
109 2HD2 LEU 17 3HD2 LEU 17 16.014 -2.340 -0.880
110 3HD2 LEU 17 2HD2 LEU 17 15.142 -0.812 -0.967
111 H ARG 18 H ARG 18 19.473 0.101 0.299
112 HA ARG 18 HA ARG 18 20.706 2.701 0.969
113 1HB ARG 18 2HB ARG 18 22.829 1.580 -0.148
114 2HB ARG 18 1HB ARG 18 22.543 1.383 1.565
115 1HG ARG 18 2HG ARG 18 21.670 -0.838 1.217
116 2HG ARG 18 1HG ARG 18 21.481 -0.574 -0.497
117 1HD ARG 18 2HD ARG 18 24.010 -0.378 -0.691
118 2HD ARG 18 1HD ARG 18 24.115 -0.891 0.994
119 HE ARG 18 HE ARG 18 22.492 -2.793 -0.237
120 1HH1 ARG 18 2HH1 ARG 18 24.258 -2.078 -2.588
121 2HH1 ARG 18 1HH1 ARG 18 25.527 -3.248 -2.435
122 1HH2 ARG 18 1HH2 ARG 18 24.666 -4.044 0.869
123 2HH2 ARG 18 2HH2 ARG 18 25.764 -4.389 -0.427
124 H CYS 19 H CYS 19 21.227 3.817 -0.832
125 HA CYS 19 HA CYS 19 19.614 3.290 -3.196
126 1HB CYS 19 2HB CYS 19 20.204 5.536 -2.096
127 2HB CYS 19 1HB CYS 19 21.719 5.447 -2.939
128 H GLY 20 H GLY 20 20.344 1.497 -4.336
129 1HA GLY 20 2HA GLY 20 23.113 1.036 -5.020
130 2HA GLY 20 1HA GLY 20 21.713 0.236 -5.744
131 H ARG 21 H ARG 21 23.905 2.856 -5.970
132 HA ARG 21 HA ARG 21 22.741 4.457 -7.954
133 1HB ARG 21 2HB ARG 21 24.960 4.671 -6.451
134 2HB ARG 21 1HB ARG 21 25.730 4.068 -7.898
135 1HG ARG 21 2HG ARG 21 25.810 6.387 -8.235
136 2HG ARG 21 1HG ARG 21 24.377 5.957 -9.144
137 1HD ARG 21 2HD ARG 21 22.907 6.759 -7.417
138 2HD ARG 21 1HD ARG 21 24.195 6.803 -6.218
139 HE ARG 21 HE ARG 21 23.680 8.822 -8.287
140 1HH1 ARG 21 1HH2 ARG 21 26.425 8.651 -8.754
141 2HH1 ARG 21 2HH2 ARG 21 27.190 9.513 -7.461
142 1HH2 ARG 21 2HH1 ARG 21 24.342 9.382 -5.424
143 2HH2 ARG 21 1HH1 ARG 21 25.979 9.938 -5.526
144 H GLY 22 H GLY 22 24.238 1.386 -8.253
145 1HA GLY 22 2HA GLY 22 25.173 1.362 -10.910
146 2HA GLY 22 1HA GLY 22 24.513 -0.048 -10.080
147 H ASN 23 H ASN 23 24.210 1.289 -12.868
148 HA ASN 23 HA ASN 23 21.378 1.862 -13.048
149 1HB ASN 23 2HB ASN 23 23.649 1.676 -15.015
150 2HB ASN 23 1HB ASN 23 21.994 1.759 -15.601
151 1HD2 ASN 23 2HD2 ASN 23 23.762 5.099 -14.242
152 2HD2 ASN 23 1HD2 ASN 23 24.604 3.643 -14.471
153 HA PRO 24 HA PRO 24 19.495 1.569 -14.164
154 1HB PRO 24 2HB PRO 24 17.205 0.255 -13.285
155 2HB PRO 24 1HB PRO 24 17.664 0.520 -14.959
156 1HG PRO 24 2HG PRO 24 17.755 -1.997 -13.408
157 2HG PRO 24 1HG PRO 24 17.814 -1.777 -15.152
158 1HD PRO 24 2HD PRO 24 20.032 -2.383 -13.420
159 2HD PRO 24 1HD PRO 24 20.116 -2.000 -15.147
160 H GLN 25 H GLN 25 19.437 2.982 -12.557
161 HA GLN 25 HA GLN 25 20.284 2.559 -9.930
162 1HB GLN 25 2HB GLN 25 18.462 4.695 -11.098
163 2HB GLN 25 1HB GLN 25 19.118 4.788 -9.472
164 1HG GLN 25 2HG GLN 25 21.380 4.894 -10.269
165 2HG GLN 25 1HG GLN 25 20.932 4.388 -11.889
166 1HE2 GLN 25 2HE2 GLN 25 20.310 8.274 -10.748
167 2HE2 GLN 25 1HE2 GLN 25 20.561 7.082 -9.565
168 H LYS 26 H LYS 26 19.440 1.599 -8.284
169 HA LYS 26 HA LYS 26 16.610 1.700 -7.587
170 1HB LYS 26 2HB LYS 26 17.737 -0.628 -9.027
171 2HB LYS 26 1HB LYS 26 16.988 -1.095 -7.519
172 1HG LYS 26 2HG LYS 26 14.901 -0.510 -8.150
173 2HG LYS 26 1HG LYS 26 15.391 0.788 -9.213
174 1HD LYS 26 2HD LYS 26 15.464 -0.577 -11.040
175 2HD LYS 26 1HD LYS 26 16.355 -1.828 -10.195
176 1HE LYS 26 2HE LYS 26 14.143 -2.482 -9.073
177 2HE LYS 26 1HE LYS 26 13.354 -1.413 -10.228
178 1HZ LYS 26 1HZ LYS 26 14.616 -2.711 -11.972
179 2HZ LYS 26 3HZ LYS 26 14.908 -3.858 -10.754
180 3HZ LYS 26 2HZ LYS 26 13.313 -3.491 -11.209
181 H CYS 27 H CYS 27 16.234 1.186 -5.383
182 HA CYS 27 HA CYS 27 18.634 1.120 -3.774
183 1HB CYS 27 2HB CYS 27 15.746 0.827 -2.823
184 2HB CYS 27 1HB CYS 27 17.156 1.101 -1.882
185 H ILE 28 H ILE 28 19.264 -0.557 -2.456
186 HA ILE 28 HA ILE 28 17.962 -3.218 -2.756
187 HB ILE 28 HB ILE 28 20.197 -4.230 -2.939
188 1HG1 ILE 28 2HG1 ILE 28 21.286 -2.237 -1.653
189 2HG1 ILE 28 1HG1 ILE 28 22.177 -3.080 -2.851
190 1HG2 ILE 28 2HG2 ILE 28 19.673 -2.120 -5.073
191 2HG2 ILE 28 1HG2 ILE 28 20.849 -3.415 -5.230
192 3HG2 ILE 28 3HG2 ILE 28 19.144 -3.792 -5.066
193 1HD1 ILE 28 2HD1 ILE 28 20.720 -0.661 -3.789
194 2HD1 ILE 28 1HD1 ILE 28 22.128 -0.440 -2.765
195 3HD1 ILE 28 3HD1 ILE 28 22.274 -1.324 -4.277
196 H GLY 29 H GLY 29 19.397 -4.611 -0.967
197 1HA GLY 29 2HA GLY 29 19.005 -3.050 1.494
198 2HA GLY 29 1HA GLY 29 19.023 -4.770 1.415
199 H ALA 30 H ALA 30 20.544 -2.646 2.907
200 HA ALA 30 HA ALA 30 23.352 -2.912 2.115
201 1HB ALA 30 2HB ALA 30 21.963 -1.683 4.536
202 2HB ALA 30 1HB ALA 30 23.708 -1.671 4.328
203 3HB ALA 30 3HB ALA 30 22.683 -0.820 3.189
204 H HIS 31 H HIS 31 21.208 -3.975 4.643
205 HA HIS 31 HA HIS 31 23.155 -5.941 5.707
206 1HB HIS 31 2HB HIS 31 20.478 -4.821 6.635
207 2HB HIS 31 1HB HIS 31 21.142 -6.257 7.392
208 HD1 HIS 31 HD1 HIS 31 22.375 -5.569 9.424
209 HD2 HIS 31 HD2 HIS 31 22.830 -2.725 6.533
210 HE1 HIS 31 HE1 HIS 31 23.827 -3.828 10.389
211 1HN CGU 32 HN CGU 32 22.173 -6.252 3.120
212 HA CGU 32 HA CGU 32 20.351 -8.606 3.241
213 1HB CGU 32 1HB CGU 32 21.232 -6.789 0.959
214 2HB CGU 32 2HB CGU 32 19.667 -6.753 1.743
215 HG CGU 32 HG CGU 32 20.557 -9.312 0.450
216 H ASP 33 H ASP 33 22.183 -9.657 4.203
217 HA ASP 33 HA ASP 33 24.423 -10.428 2.423
218 1HB ASP 33 2HB ASP 33 24.612 -9.875 4.972
219 2HB ASP 33 1HB ASP 33 23.876 -11.440 5.261
220 H VAL 34 H VAL 34 21.936 -11.098 1.531
221 HA VAL 34 HA VAL 34 22.148 -13.981 1.196
222 HB VAL 34 HB VAL 34 20.828 -13.803 3.312
223 1HG1 VAL 34 1HG1 VAL 34 19.845 -11.506 2.755
224 2HG1 VAL 34 3HG1 VAL 34 18.671 -12.335 1.745
225 3HG1 VAL 34 2HG1 VAL 34 18.727 -12.650 3.469
226 1HG2 VAL 34 2HG2 VAL 34 20.318 -15.613 1.595
227 2HG2 VAL 34 1HG2 VAL 34 19.012 -15.259 2.712
228 3HG2 VAL 34 3HG2 VAL 34 18.952 -14.639 1.070
No H/Q in entry = 228
Start of MODEL 11
1 1H ALA 1 1H ALA 1 7.483 9.456 0.303
2 2H ALA 1 3H ALA 1 6.039 9.504 1.200
3 3H ALA 1 2H ALA 1 7.458 10.185 1.837
4 HA ALA 1 HA ALA 1 7.665 8.272 2.924
5 1HB ALA 1 3HB ALA 1 5.965 7.018 0.715
6 2HB ALA 1 2HB ALA 1 6.532 6.152 2.137
7 3HB ALA 1 1HB ALA 1 5.407 7.488 2.312
8 H CYS 2 H CYS 2 9.323 6.850 2.908
9 HA CYS 2 HA CYS 2 11.425 7.080 1.083
10 1HB CYS 2 2HB CYS 2 12.290 5.012 2.201
11 2HB CYS 2 1HB CYS 2 11.807 6.231 3.330
12 H SER 3 H SER 3 12.490 5.121 0.061
13 HA SER 3 HA SER 3 10.583 3.936 -1.914
14 1HB SER 3 2HB SER 3 13.544 4.605 -1.977
15 2HB SER 3 1HB SER 3 12.875 3.456 -3.136
16 HG SER 3 HG SER 3 12.761 5.546 -3.859
17 H GLY 4 H GLY 4 10.608 1.732 -2.337
18 1HA GLY 4 2HA GLY 4 11.618 0.033 -0.112
19 2HA GLY 4 1HA GLY 4 10.425 -0.439 -1.318
20 H ARG 5 H ARG 5 12.356 -2.217 -0.904
21 HA ARG 5 HA ARG 5 14.710 -1.834 -2.520
22 1HB ARG 5 2HB ARG 5 14.195 -3.582 -0.603
23 2HB ARG 5 1HB ARG 5 13.571 -4.585 -1.891
24 1HG ARG 5 2HG ARG 5 16.181 -3.297 -2.518
25 2HG ARG 5 1HG ARG 5 16.259 -4.373 -1.152
26 1HD ARG 5 2HD ARG 5 15.016 -5.202 -3.809
27 2HD ARG 5 1HD ARG 5 16.720 -5.435 -3.438
28 HE ARG 5 HE ARG 5 15.747 -6.638 -1.304
29 1HH1 ARG 5 2HH1 ARG 5 13.198 -6.332 -3.324
30 2HH1 ARG 5 1HH1 ARG 5 13.007 -8.020 -3.662
31 1HH2 ARG 5 1HH2 ARG 5 16.089 -8.872 -2.255
32 2HH2 ARG 5 2HH2 ARG 5 14.689 -9.499 -3.062
33 H GLY 6 H GLY 6 14.078 -1.107 -4.418
34 1HA GLY 6 2HA GLY 6 13.953 -2.534 -6.692
35 2HA GLY 6 1HA GLY 6 12.259 -2.581 -6.215
36 H SER 7 H SER 7 13.207 0.215 -4.970
37 HA SER 7 HA SER 7 12.740 1.854 -7.431
38 1HB SER 7 2HB SER 7 11.681 2.232 -4.578
39 2HB SER 7 1HB SER 7 11.524 3.453 -5.855
40 HG SER 7 HG SER 7 9.734 2.025 -5.776
41 H ARG 8 H ARG 8 14.028 3.728 -7.570
42 HA ARG 8 HA ARG 8 16.506 3.649 -6.029
43 1HB ARG 8 2HB ARG 8 17.221 5.443 -7.572
44 2HB ARG 8 1HB ARG 8 16.523 4.100 -8.431
45 1HG ARG 8 2HG ARG 8 14.400 5.957 -7.739
46 2HG ARG 8 1HG ARG 8 15.697 6.824 -8.514
47 1HD ARG 8 2HD ARG 8 15.658 5.234 -10.421
48 2HD ARG 8 1HD ARG 8 14.357 4.332 -9.645
49 HE ARG 8 HE ARG 8 14.140 7.043 -10.824
50 1HH1 ARG 8 1HH2 ARG 8 12.510 7.007 -8.369
51 2HH1 ARG 8 2HH2 ARG 8 11.000 6.363 -8.915
52 1HH2 ARG 8 2HH1 ARG 8 12.361 5.083 -11.873
53 2HH2 ARG 8 1HH1 ARG 8 10.908 5.245 -10.943
54 H CYS 9 H CYS 9 17.349 6.068 -5.711
55 HA CYS 9 HA CYS 9 15.485 7.314 -3.810
56 1HB CYS 9 2HB CYS 9 17.340 7.975 -2.475
57 2HB CYS 9 1HB CYS 9 17.501 6.280 -2.821
58 HA HYP 10 HA HYP 10 15.130 8.973 -2.805
59 1HB HYP 10 1HB HYP 10 14.800 11.021 -2.012
60 2HB HYP 10 2HB HYP 10 13.430 11.212 -3.084
61 1HD HYP 10 1HD1 HYP 10 17.120 11.387 -5.018
62 2HD HYP 10 2HD1 HYP 10 15.640 11.313 -5.983
63 HOD HYP 10 HD2 HYP 10 16.383 13.430 -3.182
64 HG HYP 10 HG HYP 10 14.755 12.792 -4.355
65 HA HYP 11 HA HYP 11 12.536 9.933 -1.729
66 1HB HYP 11 1HB HYP 11 10.585 9.158 -0.919
67 2HB HYP 11 2HB HYP 11 11.145 7.493 -0.992
68 1HD HYP 11 1HD1 HYP 11 10.757 9.117 -4.713
69 2HD HYP 11 2HD1 HYP 11 11.249 7.421 -4.609
70 HOD HYP 11 HD2 HYP 11 9.716 10.010 -2.894
71 HG HYP 11 HG HYP 11 9.729 7.165 -2.817
72 H GLN 12 H GLN 12 14.098 9.604 -0.245
73 HA GLN 12 HA GLN 12 16.238 7.887 -0.540
74 1HB GLN 12 2HB GLN 12 15.151 9.556 1.627
75 2HB GLN 12 1HB GLN 12 15.912 8.127 2.294
76 1HG GLN 12 2HG GLN 12 17.617 9.858 2.100
77 2HG GLN 12 1HG GLN 12 17.969 8.642 0.885
78 1HE2 GLN 12 2HE2 GLN 12 17.186 12.403 -0.294
79 2HE2 GLN 12 1HE2 GLN 12 17.370 11.997 1.350
80 H CYS 13 H CYS 13 16.615 5.775 -0.289
81 HA CYS 13 HA CYS 13 14.530 3.922 -0.037
82 1HB CYS 13 2HB CYS 13 17.206 3.100 0.956
83 2HB CYS 13 1HB CYS 13 16.106 2.311 -0.132
84 H CYS 14 H CYS 14 13.577 2.928 1.514
85 HA CYS 14 HA CYS 14 13.286 3.948 4.098
86 1HB CYS 14 2HB CYS 14 12.753 1.106 3.189
87 2HB CYS 14 1HB CYS 14 12.051 1.885 4.580
88 H MET 15 H MET 15 13.631 2.754 6.149
89 HA MET 15 HA MET 15 16.322 2.476 6.778
90 1HB MET 15 2HB MET 15 14.355 2.764 8.385
91 2HB MET 15 1HB MET 15 14.037 1.049 8.215
92 1HG MET 15 2HG MET 15 16.232 0.505 9.104
93 2HG MET 15 1HG MET 15 16.709 2.180 9.104
94 1HE MET 15 3HE MET 15 15.172 3.988 10.465
95 2HE MET 15 2HE MET 15 15.301 3.703 12.188
96 3HE MET 15 1HE MET 15 16.748 3.596 11.194
97 H GLY 16 H GLY 16 17.791 0.976 6.566
98 1HA GLY 16 2HA GLY 16 18.639 -1.261 6.633
99 2HA GLY 16 1HA GLY 16 17.071 -1.841 6.090
100 H LEU 17 H LEU 17 16.964 0.338 4.012
101 HA LEU 17 HA LEU 17 18.486 -1.096 1.990
102 1HB LEU 17 2HB LEU 17 16.574 1.229 1.731
103 2HB LEU 17 1HB LEU 17 17.269 0.386 0.370
104 HG LEU 17 HG LEU 17 15.295 -0.680 2.411
105 1HD1 LEU 17 1HD1 LEU 17 14.376 0.845 0.722
106 2HD1 LEU 17 3HD1 LEU 17 14.974 -0.202 -0.556
107 3HD1 LEU 17 2HD1 LEU 17 13.743 -0.780 0.559
108 1HD2 LEU 17 3HD2 LEU 17 16.887 -2.512 1.640
109 2HD2 LEU 17 2HD2 LEU 17 15.223 -2.777 1.180
110 3HD2 LEU 17 1HD2 LEU 17 16.367 -2.186 -0.010
111 H ARG 18 H ARG 18 19.554 0.031 0.312
112 HA ARG 18 HA ARG 18 20.890 2.593 0.946
113 1HB ARG 18 2HB ARG 18 22.907 1.222 -0.299
114 2HB ARG 18 1HB ARG 18 22.768 1.413 1.432
115 1HG ARG 18 2HG ARG 18 21.972 -0.723 1.762
116 2HG ARG 18 1HG ARG 18 21.443 -0.949 0.116
117 1HD ARG 18 2HD ARG 18 24.087 -0.620 -0.407
118 2HD ARG 18 1HD ARG 18 24.239 -1.199 1.247
119 HE ARG 18 HE ARG 18 22.473 -2.908 -0.259
120 1HH1 ARG 18 2HH1 ARG 18 25.550 -1.950 -1.144
121 2HH1 ARG 18 1HH1 ARG 18 26.255 -3.531 -1.050
122 1HH2 ARG 18 1HH2 ARG 18 23.442 -4.932 0.435
123 2HH2 ARG 18 2HH2 ARG 18 25.035 -5.278 -0.122
124 H CYS 19 H CYS 19 21.214 3.736 -0.818
125 HA CYS 19 HA CYS 19 19.672 3.142 -3.201
126 1HB CYS 19 2HB CYS 19 20.128 5.408 -2.131
127 2HB CYS 19 1HB CYS 19 21.689 5.375 -2.895
128 H GLY 20 H GLY 20 20.434 1.445 -4.415
129 1HA GLY 20 2HA GLY 20 23.264 1.181 -5.118
130 2HA GLY 20 1HA GLY 20 21.941 0.158 -5.676
131 H ARG 21 H ARG 21 24.124 2.396 -6.707
132 HA ARG 21 HA ARG 21 22.604 3.945 -8.528
133 1HB ARG 21 2HB ARG 21 25.393 3.585 -7.850
134 2HB ARG 21 1HB ARG 21 25.270 3.507 -9.593
135 1HG ARG 21 2HG ARG 21 24.100 5.654 -9.671
136 2HG ARG 21 1HG ARG 21 24.002 5.699 -7.920
137 1HD ARG 21 2HD ARG 21 26.660 5.540 -8.038
138 2HD ARG 21 1HD ARG 21 26.424 6.100 -9.688
139 HE ARG 21 HE ARG 21 25.777 8.206 -8.843
140 1HH1 ARG 21 1HH2 ARG 21 23.705 7.353 -6.949
141 2HH1 ARG 21 2HH2 ARG 21 24.379 7.768 -5.407
142 1HH2 ARG 21 2HH1 ARG 21 27.628 8.063 -6.691
143 2HH2 ARG 21 1HH1 ARG 21 26.663 8.178 -5.257
144 H GLY 22 H GLY 22 22.967 3.851 -10.914
145 1HA GLY 22 2HA GLY 22 23.578 1.900 -12.644
146 2HA GLY 22 1HA GLY 22 22.123 1.202 -11.920
147 H ASN 23 H ASN 23 21.107 1.362 -13.990
148 HA ASN 23 HA ASN 23 19.695 3.888 -14.346
149 1HB ASN 23 2HB ASN 23 21.855 4.227 -15.627
150 2HB ASN 23 1HB ASN 23 21.409 2.885 -16.667
151 1HD2 ASN 23 2HD2 ASN 23 18.787 4.706 -18.306
152 2HD2 ASN 23 1HD2 ASN 23 19.292 3.142 -17.881
153 HA PRO 24 HA PRO 24 17.739 4.112 -14.066
154 1HB PRO 24 2HB PRO 24 15.535 2.889 -12.878
155 2HB PRO 24 1HB PRO 24 15.515 3.992 -14.242
156 1HG PRO 24 2HG PRO 24 15.068 1.083 -14.253
157 2HG PRO 24 1HG PRO 24 14.743 2.249 -15.528
158 1HD PRO 24 2HD PRO 24 16.929 0.372 -15.423
159 2HD PRO 24 1HD PRO 24 16.672 1.635 -16.637
160 H GLN 25 H GLN 25 18.324 4.494 -11.983
161 HA GLN 25 HA GLN 25 19.880 2.614 -10.509
162 1HB GLN 25 2HB GLN 25 18.475 5.158 -9.577
163 2HB GLN 25 1HB GLN 25 19.644 4.286 -8.602
164 1HG GLN 25 2HG GLN 25 21.379 4.664 -10.333
165 2HG GLN 25 1HG GLN 25 20.212 5.496 -11.350
166 1HE2 GLN 25 2HE2 GLN 25 20.306 8.499 -9.480
167 2HE2 GLN 25 1HE2 GLN 25 19.476 7.610 -10.663
168 H LYS 26 H LYS 26 19.360 1.824 -8.255
169 HA LYS 26 HA LYS 26 16.573 1.535 -7.503
170 1HB LYS 26 2HB LYS 26 17.827 -0.472 -9.223
171 2HB LYS 26 1HB LYS 26 17.389 -1.210 -7.697
172 1HG LYS 26 2HG LYS 26 15.145 -0.797 -7.945
173 2HG LYS 26 1HG LYS 26 15.346 0.555 -9.036
174 1HD LYS 26 2HD LYS 26 14.617 -1.095 -10.514
175 2HD LYS 26 1HD LYS 26 16.349 -1.251 -10.690
176 1HE LYS 26 2HE LYS 26 15.889 -3.483 -10.267
177 2HE LYS 26 1HE LYS 26 15.942 -2.978 -8.587
178 1HZ LYS 26 1HZ LYS 26 13.463 -2.399 -9.045
179 2HZ LYS 26 3HZ LYS 26 13.635 -3.549 -10.284
180 3HZ LYS 26 2HZ LYS 26 13.933 -3.988 -8.670
181 H CYS 27 H CYS 27 16.337 1.135 -5.323
182 HA CYS 27 HA CYS 27 18.739 1.009 -3.745
183 1HB CYS 27 2HB CYS 27 15.879 0.673 -2.704
184 2HB CYS 27 1HB CYS 27 17.319 1.047 -1.840
185 H ILE 28 H ILE 28 19.350 -0.625 -2.406
186 HA ILE 28 HA ILE 28 18.161 -3.344 -2.732
187 HB ILE 28 HB ILE 28 20.513 -4.202 -2.615
188 1HG1 ILE 28 2HG1 ILE 28 21.245 -1.838 -1.608
189 2HG1 ILE 28 1HG1 ILE 28 22.356 -2.858 -2.454
190 1HG2 ILE 28 3HG2 ILE 28 19.821 -2.420 -4.986
191 2HG2 ILE 28 2HG2 ILE 28 21.140 -3.580 -4.983
192 3HG2 ILE 28 1HG2 ILE 28 19.485 -4.129 -4.793
193 1HD1 ILE 28 2HD1 ILE 28 20.815 -0.720 -3.893
194 2HD1 ILE 28 1HD1 ILE 28 22.303 -0.374 -3.026
195 3HD1 ILE 28 3HD1 ILE 28 22.314 -1.519 -4.362
196 H GLY 29 H GLY 29 19.675 -4.557 -0.795
197 1HA GLY 29 2HA GLY 29 19.049 -2.951 1.623
198 2HA GLY 29 1HA GLY 29 18.943 -4.681 1.582
199 H ALA 30 H ALA 30 20.587 -2.532 3.082
200 HA ALA 30 HA ALA 30 23.366 -2.937 2.469
201 1HB ALA 30 2HB ALA 30 21.984 -2.158 5.083
202 2HB ALA 30 1HB ALA 30 23.720 -2.050 4.813
203 3HB ALA 30 3HB ALA 30 22.624 -1.043 3.886
204 H HIS 31 H HIS 31 21.087 -4.376 4.648
205 HA HIS 31 HA HIS 31 22.955 -6.565 5.397
206 1HB HIS 31 2HB HIS 31 21.449 -5.244 7.088
207 2HB HIS 31 1HB HIS 31 20.102 -6.156 6.424
208 HD1 HIS 31 HD1 HIS 31 23.467 -6.913 7.941
209 HD2 HIS 31 HD2 HIS 31 19.781 -8.633 7.586
210 HE1 HIS 31 HE1 HIS 31 23.542 -8.993 9.267
211 1HN CGU 32 HN CGU 32 22.128 -6.329 2.783
212 HA CGU 32 HA CGU 32 20.877 -8.943 2.298
213 1HB CGU 32 1HB CGU 32 19.783 -6.602 0.675
214 2HB CGU 32 2HB CGU 32 19.185 -6.839 2.293
215 HG CGU 32 HG CGU 32 18.844 -9.345 1.475
216 H ASP 33 H ASP 33 22.808 -9.574 1.552
217 HA ASP 33 HA ASP 33 23.900 -8.210 -0.884
218 1HB ASP 33 2HB ASP 33 25.226 -8.572 1.531
219 2HB ASP 33 1HB ASP 33 25.698 -10.037 0.701
220 H VAL 34 H VAL 34 21.783 -9.914 -0.991
221 HA VAL 34 HA VAL 34 22.835 -12.053 -2.696
222 HB VAL 34 HB VAL 34 22.846 -13.199 -0.567
223 1HG1 VAL 34 1HG1 VAL 34 21.173 -11.520 0.550
224 2HG1 VAL 34 3HG1 VAL 34 19.918 -12.615 -0.003
225 3HG1 VAL 34 2HG1 VAL 34 21.161 -13.187 1.087
226 1HG2 VAL 34 1HG2 VAL 34 21.811 -14.399 -2.569
227 2HG2 VAL 34 3HG2 VAL 34 21.416 -15.069 -0.997
228 3HG2 VAL 34 2HG2 VAL 34 20.239 -14.085 -1.849
No H/Q in entry = 228
Start of MODEL 12
1 1H ALA 1 2H ALA 1 7.532 9.171 0.120
2 2H ALA 1 1H ALA 1 6.027 8.930 0.872
3 3H ALA 1 3H ALA 1 7.105 10.092 1.482
4 HA ALA 1 HA ALA 1 7.978 8.609 2.827
5 1HB ALA 1 1HB ALA 1 5.751 7.472 2.727
6 2HB ALA 1 3HB ALA 1 6.294 6.536 1.343
7 3HB ALA 1 2HB ALA 1 7.046 6.301 2.914
8 H CYS 2 H CYS 2 9.613 7.043 2.980
9 HA CYS 2 HA CYS 2 11.687 7.097 1.177
10 1HB CYS 2 2HB CYS 2 12.473 5.020 2.330
11 2HB CYS 2 1HB CYS 2 12.053 6.295 3.418
12 H SER 3 H SER 3 12.759 5.214 0.122
13 HA SER 3 HA SER 3 10.901 4.010 -1.864
14 1HB SER 3 2HB SER 3 12.827 5.260 -2.737
15 2HB SER 3 1HB SER 3 13.965 4.230 -1.856
16 HG SER 3 HG SER 3 13.167 2.469 -3.020
17 H GLY 4 H GLY 4 11.315 1.699 -2.522
18 1HA GLY 4 2HA GLY 4 12.132 0.022 -0.178
19 2HA GLY 4 1HA GLY 4 10.748 -0.350 -1.196
20 H ARG 5 H ARG 5 12.248 -2.360 -1.053
21 HA ARG 5 HA ARG 5 14.571 -2.466 -2.678
22 1HB ARG 5 2HB ARG 5 12.589 -4.635 -1.820
23 2HB ARG 5 1HB ARG 5 14.019 -5.022 -2.752
24 1HG ARG 5 2HG ARG 5 15.498 -4.479 -1.014
25 2HG ARG 5 1HG ARG 5 14.346 -3.419 -0.228
26 1HD ARG 5 2HD ARG 5 14.176 -5.214 1.200
27 2HD ARG 5 1HD ARG 5 12.956 -5.721 0.036
28 HE ARG 5 HE ARG 5 15.309 -6.752 -0.991
29 1HH1 ARG 5 2HH1 ARG 5 15.487 -6.585 2.213
30 2HH1 ARG 5 1HH1 ARG 5 15.267 -8.267 2.565
31 1HH2 ARG 5 1HH2 ARG 5 14.223 -9.025 -0.686
32 2HH2 ARG 5 2HH2 ARG 5 14.534 -9.679 0.888
33 H GLY 6 H GLY 6 14.428 -1.725 -4.718
34 1HA GLY 6 2HA GLY 6 13.946 -2.716 -7.014
35 2HA GLY 6 1HA GLY 6 12.265 -2.760 -6.521
36 H SER 7 H SER 7 13.298 -0.019 -5.138
37 HA SER 7 HA SER 7 12.926 1.662 -7.594
38 1HB SER 7 2HB SER 7 11.696 3.226 -5.703
39 2HB SER 7 1HB SER 7 10.787 2.019 -6.618
40 HG SER 7 HG SER 7 11.884 1.930 -4.085
41 H ARG 8 H ARG 8 14.149 3.477 -7.667
42 HA ARG 8 HA ARG 8 16.537 3.566 -6.033
43 1HB ARG 8 2HB ARG 8 17.140 5.468 -7.548
44 2HB ARG 8 1HB ARG 8 16.645 4.032 -8.391
45 1HG ARG 8 2HG ARG 8 14.390 5.879 -7.773
46 2HG ARG 8 1HG ARG 8 15.603 6.551 -8.831
47 1HD ARG 8 2HD ARG 8 15.144 5.074 -10.559
48 2HD ARG 8 1HD ARG 8 14.671 3.765 -9.479
49 HE ARG 8 HE ARG 8 12.723 5.696 -9.090
50 1HH1 ARG 8 2HH1 ARG 8 12.529 6.763 -11.578
51 2HH1 ARG 8 1HH1 ARG 8 11.761 5.594 -12.600
52 1HH2 ARG 8 1HH2 ARG 8 12.430 2.943 -10.407
53 2HH2 ARG 8 2HH2 ARG 8 11.703 3.377 -11.918
54 H CYS 9 H CYS 9 17.263 6.065 -5.768
55 HA CYS 9 HA CYS 9 15.354 7.267 -3.884
56 1HB CYS 9 2HB CYS 9 17.111 7.794 -2.406
57 2HB CYS 9 1HB CYS 9 17.388 6.146 -2.879
58 HA HYP 10 HA HYP 10 15.205 8.987 -2.772
59 1HB HYP 10 1HB HYP 10 15.016 11.091 -2.012
60 2HB HYP 10 2HB HYP 10 13.597 11.308 -3.005
61 1HD HYP 10 1HD1 HYP 10 17.199 11.282 -5.106
62 2HD HYP 10 2HD1 HYP 10 15.693 11.235 -6.030
63 HOD HYP 10 HD2 HYP 10 17.005 11.737 -2.840
64 HG HYP 10 HG HYP 10 14.886 12.777 -4.424
65 HA HYP 11 HA HYP 11 12.732 10.038 -1.622
66 1HB HYP 11 1HB HYP 11 10.706 9.444 -0.852
67 2HB HYP 11 2HB HYP 11 11.263 7.795 -0.638
68 1HD HYP 11 1HD1 HYP 11 10.776 9.052 -4.503
69 2HD HYP 11 2HD1 HYP 11 11.349 7.385 -4.355
70 HOD HYP 11 HD2 HYP 11 8.462 8.509 -2.757
71 HG HYP 11 HG HYP 11 9.995 7.102 -2.456
72 H GLN 12 H GLN 12 14.299 9.695 -0.156
73 HA GLN 12 HA GLN 12 16.401 7.943 -0.368
74 1HB GLN 12 2HB GLN 12 15.120 9.059 2.154
75 2HB GLN 12 1HB GLN 12 16.672 8.247 2.169
76 1HG GLN 12 2HG GLN 12 17.776 10.032 1.232
77 2HG GLN 12 1HG GLN 12 16.491 10.375 0.086
78 1HE2 GLN 12 2HE2 GLN 12 16.633 12.373 3.612
79 2HE2 GLN 12 1HE2 GLN 12 17.747 11.143 3.260
80 H CYS 13 H CYS 13 16.610 5.784 -0.277
81 HA CYS 13 HA CYS 13 14.516 3.984 0.101
82 1HB CYS 13 2HB CYS 13 17.184 3.018 0.988
83 2HB CYS 13 1HB CYS 13 16.030 2.341 -0.110
84 H CYS 14 H CYS 14 13.611 2.971 1.648
85 HA CYS 14 HA CYS 14 13.394 3.932 4.251
86 1HB CYS 14 2HB CYS 14 12.807 1.155 3.212
87 2HB CYS 14 1HB CYS 14 12.159 1.809 4.682
88 H MET 15 H MET 15 13.677 2.599 6.249
89 HA MET 15 HA MET 15 16.392 2.254 6.854
90 1HB MET 15 2HB MET 15 14.684 2.652 8.591
91 2HB MET 15 1HB MET 15 13.902 1.129 8.225
92 1HG MET 15 2HG MET 15 15.536 -0.129 9.265
93 2HG MET 15 1HG MET 15 16.802 1.028 8.983
94 1HE MET 15 2HE MET 15 16.671 3.502 10.248
95 2HE MET 15 1HE MET 15 16.976 3.210 11.951
96 3HE MET 15 3HE MET 15 17.891 2.306 10.756
97 H GLY 16 H GLY 16 17.768 0.705 6.493
98 1HA GLY 16 2HA GLY 16 18.458 -1.610 6.525
99 2HA GLY 16 1HA GLY 16 16.866 -2.050 5.917
100 H LEU 17 H LEU 17 16.850 0.179 3.966
101 HA LEU 17 HA LEU 17 18.472 -1.143 1.924
102 1HB LEU 17 2HB LEU 17 16.209 0.856 1.788
103 2HB LEU 17 1HB LEU 17 17.236 0.585 0.402
104 HG LEU 17 HG LEU 17 16.538 -2.018 1.312
105 1HD1 LEU 17 3HD1 LEU 17 14.636 -0.955 2.504
106 2HD1 LEU 17 2HD1 LEU 17 14.126 -0.204 0.994
107 3HD1 LEU 17 1HD1 LEU 17 14.075 -1.948 1.170
108 1HD2 LEU 17 3HD2 LEU 17 16.785 -0.721 -1.105
109 2HD2 LEU 17 2HD2 LEU 17 16.163 -2.332 -0.899
110 3HD2 LEU 17 1HD2 LEU 17 15.060 -0.969 -1.026
111 H ARG 18 H ARG 18 19.387 0.106 0.285
112 HA ARG 18 HA ARG 18 20.654 2.686 0.954
113 1HB ARG 18 2HB ARG 18 22.763 1.510 -0.156
114 2HB ARG 18 1HB ARG 18 22.469 1.359 1.560
115 1HG ARG 18 2HG ARG 18 21.586 -0.853 1.290
116 2HG ARG 18 1HG ARG 18 21.346 -0.649 -0.427
117 1HD ARG 18 2HD ARG 18 24.112 -0.675 0.845
118 2HD ARG 18 1HD ARG 18 23.345 -2.094 0.128
119 HE ARG 18 HE ARG 18 23.273 0.115 -1.707
120 1HH1 ARG 18 2HH1 ARG 18 23.810 -2.273 -2.990
121 2HH1 ARG 18 1HH1 ARG 18 25.531 -2.377 -3.157
122 1HH2 ARG 18 1HH2 ARG 18 26.110 0.052 -0.697
123 2HH2 ARG 18 2HH2 ARG 18 26.871 -1.023 -1.824
124 H CYS 19 H CYS 19 21.208 3.787 -0.852
125 HA CYS 19 HA CYS 19 19.603 3.278 -3.232
126 1HB CYS 19 2HB CYS 19 20.221 5.522 -2.125
127 2HB CYS 19 1HB CYS 19 21.733 5.411 -2.974
128 H GLY 20 H GLY 20 20.327 1.477 -4.359
129 1HA GLY 20 2HA GLY 20 23.108 1.015 -5.015
130 2HA GLY 20 1HA GLY 20 21.718 0.179 -5.707
131 H ARG 21 H ARG 21 24.080 2.511 -6.275
132 HA ARG 21 HA ARG 21 22.799 4.137 -8.214
133 1HB ARG 21 2HB ARG 21 25.168 4.310 -6.955
134 2HB ARG 21 1HB ARG 21 25.750 3.531 -8.406
135 1HG ARG 21 2HG ARG 21 25.921 5.717 -9.136
136 2HG ARG 21 1HG ARG 21 24.254 5.463 -9.596
137 1HD ARG 21 2HD ARG 21 24.177 7.497 -8.374
138 2HD ARG 21 1HD ARG 21 23.688 6.315 -7.162
139 HE ARG 21 HE ARG 21 26.580 6.943 -7.332
140 1HH1 ARG 21 1HH2 ARG 21 26.575 6.014 -4.933
141 2HH1 ARG 21 2HH2 ARG 21 25.913 7.173 -3.827
142 1HH2 ARG 21 2HH1 ARG 21 24.388 9.034 -6.371
143 2HH2 ARG 21 1HH1 ARG 21 24.646 8.925 -4.661
144 H GLY 22 H GLY 22 23.098 4.137 -10.496
145 1HA GLY 22 2HA GLY 22 24.228 2.513 -12.305
146 2HA GLY 22 1HA GLY 22 22.960 1.442 -11.698
147 H ASN 23 H ASN 23 22.223 1.572 -13.968
148 HA ASN 23 HA ASN 23 20.256 3.735 -14.288
149 1HB ASN 23 2HB ASN 23 21.026 3.641 -16.821
150 2HB ASN 23 1HB ASN 23 21.865 4.684 -15.682
151 1HD2 ASN 23 2HD2 ASN 23 23.781 1.476 -17.317
152 2HD2 ASN 23 1HD2 ASN 23 22.118 1.709 -17.569
153 HA PRO 24 HA PRO 24 18.275 3.733 -14.252
154 1HB PRO 24 2HB PRO 24 16.028 2.419 -13.299
155 2HB PRO 24 1HB PRO 24 16.138 3.338 -14.791
156 1HG PRO 24 2HG PRO 24 15.991 0.408 -14.453
157 2HG PRO 24 1HG PRO 24 15.724 1.363 -15.906
158 1HD PRO 24 2HD PRO 24 18.066 -0.191 -15.265
159 2HD PRO 24 1HD PRO 24 17.847 0.870 -16.667
160 H GLN 25 H GLN 25 18.582 4.330 -12.168
161 HA GLN 25 HA GLN 25 20.019 2.722 -10.323
162 1HB GLN 25 2HB GLN 25 18.410 5.279 -10.024
163 2HB GLN 25 1HB GLN 25 19.086 4.500 -8.607
164 1HG GLN 25 2HG GLN 25 21.336 4.523 -9.964
165 2HG GLN 25 1HG GLN 25 20.538 5.741 -10.946
166 1HE2 GLN 25 2HE2 GLN 25 21.946 8.004 -8.620
167 2HE2 GLN 25 1HE2 GLN 25 22.079 7.336 -10.175
168 H LYS 26 H LYS 26 19.359 1.871 -8.262
169 HA LYS 26 HA LYS 26 16.540 1.519 -7.639
170 1HB LYS 26 2HB LYS 26 17.975 -0.523 -9.229
171 2HB LYS 26 1HB LYS 26 17.361 -1.202 -7.735
172 1HG LYS 26 2HG LYS 26 15.128 -0.328 -8.218
173 2HG LYS 26 1HG LYS 26 15.668 0.369 -9.726
174 1HD LYS 26 2HD LYS 26 16.057 -2.594 -9.180
175 2HD LYS 26 1HD LYS 26 14.524 -1.993 -9.774
176 1HE LYS 26 2HE LYS 26 15.769 -0.892 -11.701
177 2HE LYS 26 1HE LYS 26 17.230 -1.699 -11.147
178 1HZ LYS 26 3HZ LYS 26 14.900 -3.386 -11.479
179 2HZ LYS 26 2HZ LYS 26 15.556 -2.737 -12.903
180 3HZ LYS 26 1HZ LYS 26 16.526 -3.675 -11.871
181 H CYS 27 H CYS 27 16.264 1.169 -5.444
182 HA CYS 27 HA CYS 27 18.656 1.084 -3.830
183 1HB CYS 27 2HB CYS 27 15.773 0.810 -2.866
184 2HB CYS 27 1HB CYS 27 17.187 1.108 -1.936
185 H ILE 28 H ILE 28 19.215 -0.581 -2.460
186 HA ILE 28 HA ILE 28 17.874 -3.226 -2.741
187 HB ILE 28 HB ILE 28 20.122 -4.277 -2.865
188 1HG1 ILE 28 2HG1 ILE 28 21.273 -2.307 -1.665
189 2HG1 ILE 28 1HG1 ILE 28 22.110 -3.109 -2.930
190 1HG2 ILE 28 1HG2 ILE 28 19.466 -2.328 -5.097
191 2HG2 ILE 28 3HG2 ILE 28 20.807 -3.455 -5.200
192 3HG2 ILE 28 2HG2 ILE 28 19.171 -4.053 -5.016
193 1HD1 ILE 28 1HD1 ILE 28 20.640 -0.868 -4.051
194 2HD1 ILE 28 3HD1 ILE 28 21.664 -0.365 -2.721
195 3HD1 ILE 28 2HD1 ILE 28 22.359 -1.221 -4.082
196 H GLY 29 H GLY 29 19.360 -4.597 -0.943
197 1HA GLY 29 2HA GLY 29 18.955 -2.995 1.492
198 2HA GLY 29 1HA GLY 29 18.951 -4.717 1.444
199 H ALA 30 H ALA 30 20.476 -2.650 2.940
200 HA ALA 30 HA ALA 30 23.297 -2.963 2.168
201 1HB ALA 30 3HB ALA 30 21.845 -1.601 4.474
202 2HB ALA 30 2HB ALA 30 23.596 -1.747 4.459
203 3HB ALA 30 1HB ALA 30 22.781 -0.841 3.198
204 H HIS 31 H HIS 31 21.096 -3.874 4.709
205 HA HIS 31 HA HIS 31 22.938 -5.897 5.847
206 1HB HIS 31 2HB HIS 31 21.343 -4.252 7.181
207 2HB HIS 31 1HB HIS 31 20.067 -5.382 6.759
208 HD1 HIS 31 HD1 HIS 31 22.252 -7.827 7.135
209 HD2 HIS 31 HD2 HIS 31 21.100 -5.064 9.910
210 HE1 HIS 31 HE1 HIS 31 22.732 -8.819 9.343
211 1HN CGU 32 HN CGU 32 22.140 -6.228 3.253
212 HA CGU 32 HA CGU 32 20.166 -8.437 3.156
213 1HB CGU 32 1HB CGU 32 21.658 -7.080 0.884
214 2HB CGU 32 2HB CGU 32 20.256 -6.347 1.611
215 HG CGU 32 HG CGU 32 20.020 -9.158 0.599
216 H ASP 33 H ASP 33 22.674 -8.668 4.423
217 HA ASP 33 HA ASP 33 24.528 -10.041 4.624
218 1HB ASP 33 2HB ASP 33 22.541 -11.675 4.408
219 2HB ASP 33 1HB ASP 33 22.954 -11.841 2.719
220 H VAL 34 H VAL 34 24.628 -8.056 2.691
221 HA VAL 34 HA VAL 34 26.225 -9.199 0.450
222 HB VAL 34 HB VAL 34 24.848 -6.504 0.865
223 1HG1 VAL 34 1HG1 VAL 34 26.782 -7.351 -1.334
224 2HG1 VAL 34 3HG1 VAL 34 25.680 -5.995 -1.503
225 3HG1 VAL 34 2HG1 VAL 34 26.924 -5.959 -0.272
226 1HG2 VAL 34 2HG2 VAL 34 23.771 -8.835 -0.092
227 2HG2 VAL 34 1HG2 VAL 34 23.261 -7.253 -0.646
228 3HG2 VAL 34 3HG2 VAL 34 24.410 -8.184 -1.582
No H/Q in entry = 228
Start of MODEL 13
1 1H ALA 1 2H ALA 1 8.939 10.711 2.310
2 2H ALA 1 1H ALA 1 7.535 10.367 3.202
3 3H ALA 1 3H ALA 1 9.036 9.748 3.707
4 HA ALA 1 HA ALA 1 7.767 8.017 2.672
5 1HB ALA 1 1HB ALA 1 7.756 9.905 0.275
6 2HB ALA 1 3HB ALA 1 7.191 8.241 0.234
7 3HB ALA 1 2HB ALA 1 6.352 9.433 1.217
8 H CYS 2 H CYS 2 9.208 6.479 2.350
9 HA CYS 2 HA CYS 2 11.825 7.114 1.081
10 1HB CYS 2 2HB CYS 2 12.509 4.988 2.230
11 2HB CYS 2 1HB CYS 2 12.049 6.213 3.360
12 H SER 3 H SER 3 12.804 4.982 0.197
13 HA SER 3 HA SER 3 10.954 3.965 -1.921
14 1HB SER 3 2HB SER 3 12.804 5.022 -2.977
15 2HB SER 3 1HB SER 3 13.958 4.406 -1.792
16 HG SER 3 HG SER 3 13.715 3.390 -3.936
17 H GLY 4 H GLY 4 10.854 1.786 -2.357
18 1HA GLY 4 2HA GLY 4 11.687 -0.030 -0.134
19 2HA GLY 4 1HA GLY 4 10.429 -0.371 -1.327
20 H ARG 5 H ARG 5 12.317 -2.284 -0.982
21 HA ARG 5 HA ARG 5 14.620 -1.997 -2.677
22 1HB ARG 5 2HB ARG 5 14.193 -3.725 -0.798
23 2HB ARG 5 1HB ARG 5 13.247 -4.626 -1.967
24 1HG ARG 5 2HG ARG 5 15.281 -4.571 -3.511
25 2HG ARG 5 1HG ARG 5 16.169 -3.823 -2.196
26 1HD ARG 5 2HD ARG 5 14.711 -6.409 -1.646
27 2HD ARG 5 1HD ARG 5 16.235 -6.450 -2.529
28 HE ARG 5 HE ARG 5 16.077 -5.032 0.098
29 1HH1 ARG 5 1HH2 ARG 5 18.492 -5.595 -1.754
30 2HH1 ARG 5 2HH2 ARG 5 19.297 -6.838 -0.866
31 1HH2 ARG 5 2HH1 ARG 5 16.510 -7.427 1.191
32 2HH2 ARG 5 1HH1 ARG 5 18.139 -7.909 0.856
33 H GLY 6 H GLY 6 14.022 -1.183 -4.588
34 1HA GLY 6 2HA GLY 6 13.832 -2.453 -6.886
35 2HA GLY 6 1HA GLY 6 12.161 -2.666 -6.368
36 H SER 7 H SER 7 12.849 0.136 -4.984
37 HA SER 7 HA SER 7 11.911 1.755 -7.311
38 1HB SER 7 2HB SER 7 11.118 1.667 -4.484
39 2HB SER 7 1HB SER 7 11.730 3.281 -4.875
40 HG SER 7 HG SER 7 9.856 3.505 -5.730
41 H ARG 8 H ARG 8 12.859 3.841 -7.533
42 HA ARG 8 HA ARG 8 15.742 3.817 -7.357
43 1HB ARG 8 2HB ARG 8 15.529 6.064 -8.459
44 2HB ARG 8 1HB ARG 8 14.592 4.833 -9.271
45 1HG ARG 8 2HG ARG 8 13.059 6.181 -7.108
46 2HG ARG 8 1HG ARG 8 13.623 7.296 -8.323
47 1HD ARG 8 2HD ARG 8 12.456 6.189 -10.077
48 2HD ARG 8 1HD ARG 8 12.203 4.733 -9.115
49 HE ARG 8 HE ARG 8 10.953 6.819 -7.703
50 1HH1 ARG 8 1HH2 ARG 8 10.290 7.892 -10.357
51 2HH1 ARG 8 2HH2 ARG 8 8.833 7.054 -10.772
52 1HH2 ARG 8 2HH1 ARG 8 9.350 4.575 -8.339
53 2HH2 ARG 8 1HH1 ARG 8 8.283 5.113 -9.595
54 H CYS 9 H CYS 9 16.583 6.239 -6.799
55 HA CYS 9 HA CYS 9 15.605 7.037 -4.176
56 1HB CYS 9 2HB CYS 9 18.167 6.935 -3.474
57 2HB CYS 9 1HB CYS 9 17.067 5.608 -3.255
58 HA HYP 10 HA HYP 10 15.501 8.671 -3.006
59 1HB HYP 10 1HB HYP 10 15.349 10.751 -2.190
60 2HB HYP 10 2HB HYP 10 14.002 11.054 -3.258
61 1HD HYP 10 1HD1 HYP 10 17.838 10.933 -4.894
62 2HD HYP 10 2HD1 HYP 10 16.528 11.031 -6.077
63 HOD HYP 10 HD2 HYP 10 16.496 12.934 -2.680
64 HG HYP 10 HG HYP 10 15.452 12.481 -4.580
65 HA HYP 11 HA HYP 11 12.814 9.716 -2.129
66 1HB HYP 11 1HB HYP 11 10.679 8.977 -1.857
67 2HB HYP 11 2HB HYP 11 11.370 7.556 -1.089
68 1HD HYP 11 1HD1 HYP 11 11.284 8.263 -5.123
69 2HD HYP 11 2HD1 HYP 11 12.197 6.765 -4.884
70 HOD HYP 11 HD2 HYP 11 9.230 7.021 -4.124
71 HG HYP 11 HG HYP 11 10.916 6.212 -2.984
72 H GLN 12 H GLN 12 14.221 9.526 -0.466
73 HA GLN 12 HA GLN 12 16.450 7.877 -0.470
74 1HB GLN 12 2HB GLN 12 15.078 8.922 2.057
75 2HB GLN 12 1HB GLN 12 16.784 8.549 1.871
76 1HG GLN 12 2HG GLN 12 16.682 10.317 -0.111
77 2HG GLN 12 1HG GLN 12 15.201 10.847 0.667
78 1HE2 GLN 12 2HE2 GLN 12 18.049 12.859 1.965
79 2HE2 GLN 12 1HE2 GLN 12 17.406 12.532 0.425
80 H CYS 13 H CYS 13 16.638 5.731 -0.309
81 HA CYS 13 HA CYS 13 14.596 3.916 0.120
82 1HB CYS 13 2HB CYS 13 17.279 3.075 1.098
83 2HB CYS 13 1HB CYS 13 16.134 2.298 0.053
84 H CYS 14 H CYS 14 13.728 2.834 1.608
85 HA CYS 14 HA CYS 14 13.355 3.832 4.209
86 1HB CYS 14 2HB CYS 14 12.789 1.071 3.126
87 2HB CYS 14 1HB CYS 14 12.050 1.747 4.542
88 H MET 15 H MET 15 13.445 2.282 6.137
89 HA MET 15 HA MET 15 16.101 2.014 6.984
90 1HB MET 15 2HB MET 15 14.006 2.150 8.438
91 2HB MET 15 1HB MET 15 13.717 0.460 8.081
92 1HG MET 15 2HG MET 15 14.865 0.550 10.174
93 2HG MET 15 1HG MET 15 15.990 -0.072 9.009
94 1HE MET 15 2HE MET 15 15.408 2.129 11.864
95 2HE MET 15 1HE MET 15 16.308 3.606 11.590
96 3HE MET 15 3HE MET 15 14.834 3.326 10.676
97 H GLY 16 H GLY 16 17.596 0.541 6.719
98 1HA GLY 16 2HA GLY 16 18.489 -1.655 6.595
99 2HA GLY 16 1HA GLY 16 16.934 -2.236 6.027
100 H LEU 17 H LEU 17 16.873 0.115 4.074
101 HA LEU 17 HA LEU 17 18.418 -1.236 1.993
102 1HB LEU 17 2HB LEU 17 16.431 1.052 1.833
103 2HB LEU 17 1HB LEU 17 17.178 0.351 0.427
104 HG LEU 17 HG LEU 17 15.124 -0.858 2.286
105 1HD1 LEU 17 2HD1 LEU 17 14.507 0.691 0.377
106 2HD1 LEU 17 1HD1 LEU 17 14.982 -0.611 -0.703
107 3HD1 LEU 17 3HD1 LEU 17 13.684 -0.857 0.463
108 1HD2 LEU 17 3HD2 LEU 17 16.875 -2.644 1.631
109 2HD2 LEU 17 2HD2 LEU 17 15.233 -2.972 1.132
110 3HD2 LEU 17 1HD2 LEU 17 16.384 -2.364 -0.036
111 H ARG 18 H ARG 18 19.404 0.048 0.350
112 HA ARG 18 HA ARG 18 20.667 2.605 1.093
113 1HB ARG 18 2HB ARG 18 22.805 1.416 0.014
114 2HB ARG 18 1HB ARG 18 22.494 1.351 1.735
115 1HG ARG 18 2HG ARG 18 21.762 -0.848 1.662
116 2HG ARG 18 1HG ARG 18 21.331 -0.799 -0.025
117 1HD ARG 18 2HD ARG 18 24.240 -0.545 0.833
118 2HD ARG 18 1HD ARG 18 23.485 -2.109 0.529
119 HE ARG 18 HE ARG 18 22.951 -0.302 -1.638
120 1HH1 ARG 18 2HH1 ARG 18 24.317 -3.209 -0.989
121 2HH1 ARG 18 1HH1 ARG 18 25.638 -3.080 -2.105
122 1HH2 ARG 18 1HH2 ARG 18 25.069 0.316 -2.726
123 2HH2 ARG 18 2HH2 ARG 18 26.072 -1.044 -3.109
124 H CYS 19 H CYS 19 21.243 3.724 -0.670
125 HA CYS 19 HA CYS 19 19.741 3.202 -3.091
126 1HB CYS 19 2HB CYS 19 19.992 5.427 -2.160
127 2HB CYS 19 1HB CYS 19 21.712 5.384 -2.438
128 H GLY 20 H GLY 20 20.366 1.712 -4.496
129 1HA GLY 20 2HA GLY 20 23.191 1.268 -5.183
130 2HA GLY 20 1HA GLY 20 21.794 0.405 -5.845
131 H ARG 21 H ARG 21 24.051 2.816 -6.414
132 HA ARG 21 HA ARG 21 22.664 4.551 -8.169
133 1HB ARG 21 2HB ARG 21 25.586 3.785 -7.902
134 2HB ARG 21 1HB ARG 21 25.049 5.033 -9.006
135 1HG ARG 21 2HG ARG 21 24.561 6.540 -7.322
136 2HG ARG 21 1HG ARG 21 24.015 5.302 -6.208
137 1HD ARG 21 2HD ARG 21 26.119 6.318 -5.402
138 2HD ARG 21 1HD ARG 21 26.377 4.620 -5.792
139 HE ARG 21 HE ARG 21 27.056 6.774 -7.761
140 1HH1 ARG 21 2HH1 ARG 21 27.507 3.965 -8.524
141 2HH1 ARG 21 1HH1 ARG 21 29.165 3.703 -8.100
142 1HH2 ARG 21 1HH2 ARG 21 29.295 6.525 -6.031
143 2HH2 ARG 21 2HH2 ARG 21 30.203 5.189 -6.654
144 H GLY 22 H GLY 22 21.949 4.247 -10.141
145 1HA GLY 22 2HA GLY 22 23.246 2.774 -12.217
146 2HA GLY 22 1HA GLY 22 21.964 1.779 -11.518
147 H ASN 23 H ASN 23 21.302 2.088 -13.879
148 HA ASN 23 HA ASN 23 19.375 4.331 -14.025
149 1HB ASN 23 2HB ASN 23 20.013 4.159 -16.617
150 2HB ASN 23 1HB ASN 23 20.916 5.201 -15.532
151 1HD2 ASN 23 2HD2 ASN 23 22.666 1.829 -17.064
152 2HD2 ASN 23 1HD2 ASN 23 20.983 2.034 -17.169
153 HA PRO 24 HA PRO 24 17.426 4.377 -13.748
154 1HB PRO 24 2HB PRO 24 15.286 3.156 -12.504
155 2HB PRO 24 1HB PRO 24 15.232 4.028 -14.028
156 1HG PRO 24 2HG PRO 24 15.068 1.108 -13.575
157 2HG PRO 24 1HG PRO 24 14.617 2.027 -15.004
158 1HD PRO 24 2HD PRO 24 17.006 0.446 -14.643
159 2HD PRO 24 1HD PRO 24 16.609 1.463 -16.037
160 H GLN 25 H GLN 25 17.900 4.969 -11.678
161 HA GLN 25 HA GLN 25 19.603 3.416 -10.020
162 1HB GLN 25 2HB GLN 25 17.735 5.704 -9.227
163 2HB GLN 25 1HB GLN 25 18.957 5.033 -8.166
164 1HG GLN 25 2HG GLN 25 20.738 5.698 -9.756
165 2HG GLN 25 1HG GLN 25 19.523 6.360 -10.847
166 1HE2 GLN 25 2HE2 GLN 25 20.190 8.284 -7.268
167 2HE2 GLN 25 1HE2 GLN 25 20.465 6.611 -7.370
168 H LYS 26 H LYS 26 19.180 2.215 -8.076
169 HA LYS 26 HA LYS 26 16.412 1.770 -7.249
170 1HB LYS 26 2HB LYS 26 17.850 -0.177 -9.007
171 2HB LYS 26 1HB LYS 26 17.028 -0.888 -7.635
172 1HG LYS 26 2HG LYS 26 14.962 0.540 -8.380
173 2HG LYS 26 1HG LYS 26 15.812 0.726 -9.901
174 1HD LYS 26 2HD LYS 26 15.305 -2.008 -8.674
175 2HD LYS 26 1HD LYS 26 14.157 -1.229 -9.743
176 1HE LYS 26 2HE LYS 26 15.948 -1.045 -11.502
177 2HE LYS 26 1HE LYS 26 17.032 -1.947 -10.447
178 1HZ LYS 26 2HZ LYS 26 14.952 -3.560 -10.431
179 2HZ LYS 26 1HZ LYS 26 14.727 -2.856 -11.960
180 3HZ LYS 26 3HZ LYS 26 16.183 -3.652 -11.598
181 H CYS 27 H CYS 27 16.271 1.368 -5.209
182 HA CYS 27 HA CYS 27 18.564 1.099 -3.543
183 1HB CYS 27 2HB CYS 27 15.612 0.796 -2.772
184 2HB CYS 27 1HB CYS 27 16.973 1.007 -1.719
185 H ILE 28 H ILE 28 19.241 -0.569 -2.378
186 HA ILE 28 HA ILE 28 18.052 -3.287 -2.723
187 HB ILE 28 HB ILE 28 20.449 -4.126 -2.739
188 1HG1 ILE 28 2HG1 ILE 28 21.210 -1.768 -1.777
189 2HG1 ILE 28 1HG1 ILE 28 22.272 -2.719 -2.753
190 1HG2 ILE 28 1HG2 ILE 28 19.508 -2.393 -5.051
191 2HG2 ILE 28 3HG2 ILE 28 20.909 -3.448 -5.146
192 3HG2 ILE 28 2HG2 ILE 28 19.319 -4.124 -4.846
193 1HD1 ILE 28 2HD1 ILE 28 20.545 -0.670 -4.091
194 2HD1 ILE 28 1HD1 ILE 28 22.020 -0.205 -3.265
195 3HD1 ILE 28 3HD1 ILE 28 22.085 -1.358 -4.593
196 H GLY 29 H GLY 29 19.847 -4.517 -0.907
197 1HA GLY 29 2HA GLY 29 19.171 -3.045 1.566
198 2HA GLY 29 1HA GLY 29 19.272 -4.764 1.467
199 H ALA 30 H ALA 30 20.546 -2.708 3.120
200 HA ALA 30 HA ALA 30 23.440 -2.830 2.573
201 1HB ALA 30 1HB ALA 30 21.710 -1.555 4.731
202 2HB ALA 30 3HB ALA 30 23.453 -1.654 4.922
203 3HB ALA 30 2HB ALA 30 22.771 -0.751 3.586
204 H HIS 31 H HIS 31 21.008 -4.152 4.624
205 HA HIS 31 HA HIS 31 22.867 -5.856 6.170
206 1HB HIS 31 2HB HIS 31 20.616 -4.666 6.987
207 2HB HIS 31 1HB HIS 31 19.823 -6.061 6.279
208 HD1 HIS 31 HD1 HIS 31 21.649 -5.075 9.246
209 HD2 HIS 31 HD2 HIS 31 20.713 -8.624 7.459
210 HE1 HIS 31 HE1 HIS 31 22.030 -6.827 10.937
211 1HN CGU 32 HN CGU 32 23.123 -6.253 3.570
212 HA CGU 32 HA CGU 32 22.593 -9.047 3.167
213 1HB CGU 32 1HB CGU 32 21.158 -6.927 1.489
214 2HB CGU 32 2HB CGU 32 20.442 -8.264 2.349
215 HG CGU 32 HG CGU 32 22.214 -9.610 0.741
216 H ASP 33 H ASP 33 24.552 -9.497 2.667
217 HA ASP 33 HA ASP 33 26.075 -7.880 0.656
218 1HB ASP 33 2HB ASP 33 26.855 -7.858 3.184
219 2HB ASP 33 1HB ASP 33 27.403 -9.496 2.883
220 H VAL 34 H VAL 34 24.516 -9.571 -0.348
221 HA VAL 34 HA VAL 34 25.981 -12.100 -0.918
222 HB VAL 34 HB VAL 34 23.002 -11.548 -1.287
223 1HG1 VAL 34 1HG1 VAL 34 23.952 -13.404 -2.673
224 2HG1 VAL 34 3HG1 VAL 34 24.558 -14.176 -1.216
225 3HG1 VAL 34 2HG1 VAL 34 22.829 -13.999 -1.468
226 1HG2 VAL 34 1HG2 VAL 34 24.459 -12.832 1.065
227 2HG2 VAL 34 3HG2 VAL 34 23.425 -11.415 1.105
228 3HG2 VAL 34 2HG2 VAL 34 22.730 -12.991 0.789
No H/Q in entry = 228
Start of MODEL 14
1 1H ALA 1 2H ALA 1 9.174 10.407 3.486
2 2H ALA 1 1H ALA 1 8.703 10.831 1.910
3 3H ALA 1 3H ALA 1 7.526 10.590 3.112
4 HA ALA 1 HA ALA 1 8.022 8.274 3.229
5 1HB ALA 1 2HB ALA 1 6.446 9.058 1.427
6 2HB ALA 1 1HB ALA 1 7.803 9.165 0.316
7 3HB ALA 1 3HB ALA 1 7.308 7.603 0.954
8 H CYS 2 H CYS 2 9.111 6.445 2.089
9 HA CYS 2 HA CYS 2 11.876 7.116 1.218
10 1HB CYS 2 2HB CYS 2 12.492 4.989 2.372
11 2HB CYS 2 1HB CYS 2 12.095 6.266 3.463
12 H SER 3 H SER 3 12.887 5.129 0.182
13 HA SER 3 HA SER 3 10.960 4.072 -1.840
14 1HB SER 3 2HB SER 3 13.857 4.821 -1.923
15 2HB SER 3 1HB SER 3 13.468 3.317 -2.750
16 HG SER 3 HG SER 3 12.057 4.279 -3.959
17 H GLY 4 H GLY 4 11.479 1.855 -2.646
18 1HA GLY 4 2HA GLY 4 12.027 -0.002 -0.357
19 2HA GLY 4 1HA GLY 4 10.765 -0.287 -1.545
20 H ARG 5 H ARG 5 12.584 -2.237 -1.189
21 HA ARG 5 HA ARG 5 14.883 -2.058 -2.908
22 1HB ARG 5 2HB ARG 5 14.465 -3.718 -0.963
23 2HB ARG 5 1HB ARG 5 13.429 -4.615 -2.046
24 1HG ARG 5 2HG ARG 5 15.862 -4.169 -3.500
25 2HG ARG 5 1HG ARG 5 16.358 -4.551 -1.867
26 1HD ARG 5 2HD ARG 5 14.288 -6.319 -3.188
27 2HD ARG 5 1HD ARG 5 15.982 -6.495 -3.632
28 HE ARG 5 HE ARG 5 15.615 -6.439 -0.754
29 1HH1 ARG 5 2HH1 ARG 5 17.688 -8.108 -1.909
30 2HH1 ARG 5 1HH1 ARG 5 17.025 -9.704 -1.830
31 1HH2 ARG 5 1HH2 ARG 5 13.750 -8.544 -1.399
32 2HH2 ARG 5 2HH2 ARG 5 14.741 -9.959 -1.543
33 H GLY 6 H GLY 6 14.031 -1.173 -4.760
34 1HA GLY 6 2HA GLY 6 13.693 -2.634 -7.026
35 2HA GLY 6 1HA GLY 6 12.042 -2.551 -6.414
36 H SER 7 H SER 7 13.273 0.167 -5.247
37 HA SER 7 HA SER 7 13.006 1.820 -7.711
38 1HB SER 7 2HB SER 7 11.539 3.430 -6.398
39 2HB SER 7 1HB SER 7 10.761 1.849 -6.565
40 HG SER 7 HG SER 7 11.906 3.052 -4.350
41 H ARG 8 H ARG 8 14.396 3.426 -7.775
42 HA ARG 8 HA ARG 8 16.625 3.544 -5.987
43 1HB ARG 8 2HB ARG 8 17.374 5.328 -7.444
44 2HB ARG 8 1HB ARG 8 16.738 4.017 -8.381
45 1HG ARG 8 2HG ARG 8 14.910 6.341 -7.667
46 2HG ARG 8 1HG ARG 8 16.046 6.469 -8.978
47 1HD ARG 8 2HD ARG 8 14.400 5.568 -10.264
48 2HD ARG 8 1HD ARG 8 14.876 4.028 -9.569
49 HE ARG 8 HE ARG 8 13.118 4.520 -7.764
50 1HH1 ARG 8 2HH1 ARG 8 11.970 6.956 -8.148
51 2HH1 ARG 8 1HH1 ARG 8 10.735 6.762 -9.348
52 1HH2 ARG 8 1HH2 ARG 8 12.067 3.724 -10.494
53 2HH2 ARG 8 2HH2 ARG 8 10.786 4.872 -10.714
54 H CYS 9 H CYS 9 17.331 6.068 -5.701
55 HA CYS 9 HA CYS 9 15.349 7.204 -3.839
56 1HB CYS 9 2HB CYS 9 17.164 7.939 -2.460
57 2HB CYS 9 1HB CYS 9 17.400 6.250 -2.790
58 HA HYP 10 HA HYP 10 15.081 8.970 -2.792
59 1HB HYP 10 1HB HYP 10 14.891 11.103 -2.129
60 2HB HYP 10 2HB HYP 10 13.419 11.236 -3.075
61 1HD HYP 10 1HD1 HYP 10 16.921 11.250 -5.313
62 2HD HYP 10 2HD1 HYP 10 15.374 11.086 -6.159
63 HOD HYP 10 HD2 HYP 10 16.687 13.155 -4.006
64 HG HYP 10 HG HYP 10 14.575 12.668 -4.599
65 HA HYP 11 HA HYP 11 12.626 10.072 -1.623
66 1HB HYP 11 1HB HYP 11 10.597 9.556 -0.768
67 2HB HYP 11 2HB HYP 11 11.065 7.878 -0.568
68 1HD HYP 11 1HD1 HYP 11 10.650 8.943 -4.509
69 2HD HYP 11 2HD1 HYP 11 11.136 7.284 -4.147
70 HOD HYP 11 HD2 HYP 11 9.714 10.150 -2.745
71 HG HYP 11 HG HYP 11 9.626 7.335 -2.330
72 H GLN 12 H GLN 12 14.298 9.713 -0.241
73 HA GLN 12 HA GLN 12 16.294 7.872 -0.511
74 1HB GLN 12 2HB GLN 12 15.975 9.871 1.203
75 2HB GLN 12 1HB GLN 12 15.479 8.618 2.317
76 1HG GLN 12 2HG GLN 12 18.117 8.588 0.763
77 2HG GLN 12 1HG GLN 12 17.961 9.159 2.415
78 1HE2 GLN 12 2HE2 GLN 12 17.452 5.853 3.755
79 2HE2 GLN 12 1HE2 GLN 12 16.992 7.470 3.998
80 H CYS 13 H CYS 13 16.468 5.747 -0.410
81 HA CYS 13 HA CYS 13 14.467 3.926 0.085
82 1HB CYS 13 2HB CYS 13 17.178 3.098 0.979
83 2HB CYS 13 1HB CYS 13 16.036 2.306 -0.059
84 H CYS 14 H CYS 14 13.589 2.904 1.672
85 HA CYS 14 HA CYS 14 13.387 3.936 4.260
86 1HB CYS 14 2HB CYS 14 12.801 1.141 3.268
87 2HB CYS 14 1HB CYS 14 12.145 1.814 4.726
88 H MET 15 H MET 15 13.718 2.682 6.291
89 HA MET 15 HA MET 15 16.445 2.388 6.854
90 1HB MET 15 2HB MET 15 14.499 2.762 8.495
91 2HB MET 15 1HB MET 15 14.188 1.043 8.403
92 1HG MET 15 2HG MET 15 16.958 1.203 8.901
93 2HG MET 15 1HG MET 15 16.288 2.500 9.842
94 1HE MET 15 1HE MET 15 15.492 -1.239 8.958
95 2HE MET 15 3HE MET 15 17.140 -1.160 9.626
96 3HE MET 15 2HE MET 15 15.857 -1.973 10.505
97 H GLY 16 H GLY 16 17.843 0.833 6.577
98 1HA GLY 16 2HA GLY 16 18.573 -1.465 6.671
99 2HA GLY 16 1HA GLY 16 16.977 -1.955 6.111
100 H LEU 17 H LEU 17 16.857 0.186 4.101
101 HA LEU 17 HA LEU 17 18.383 -1.147 2.019
102 1HB LEU 17 2HB LEU 17 16.416 1.161 1.844
103 2HB LEU 17 1HB LEU 17 17.135 0.384 0.461
104 HG LEU 17 HG LEU 17 15.065 -0.695 2.370
105 1HD1 LEU 17 1HD1 LEU 17 14.320 0.699 0.502
106 2HD1 LEU 17 3HD1 LEU 17 15.084 -0.410 -0.631
107 3HD1 LEU 17 2HD1 LEU 17 13.748 -0.957 0.376
108 1HD2 LEU 17 2HD2 LEU 17 16.730 -2.563 1.902
109 2HD2 LEU 17 1HD2 LEU 17 15.145 -2.862 1.222
110 3HD2 LEU 17 3HD2 LEU 17 16.439 -2.314 0.182
111 H ARG 18 H ARG 18 19.286 0.116 0.328
112 HA ARG 18 HA ARG 18 20.610 2.663 0.982
113 1HB ARG 18 2HB ARG 18 22.680 1.465 -0.175
114 2HB ARG 18 1HB ARG 18 22.433 1.338 1.551
115 1HG ARG 18 2HG ARG 18 21.555 -0.859 1.358
116 2HG ARG 18 1HG ARG 18 21.224 -0.706 -0.346
117 1HD ARG 18 2HD ARG 18 24.023 -0.827 0.862
118 2HD ARG 18 1HD ARG 18 23.210 -2.149 0.024
119 HE ARG 18 HE ARG 18 23.222 0.180 -1.637
120 1HH1 ARG 18 2HH1 ARG 18 26.038 0.016 -0.543
121 2HH1 ARG 18 1HH1 ARG 18 26.824 -0.963 -1.737
122 1HH2 ARG 18 1HH2 ARG 18 23.797 -2.083 -3.100
123 2HH2 ARG 18 2HH2 ARG 18 25.521 -2.181 -3.222
124 H CYS 19 H CYS 19 21.123 3.766 -0.836
125 HA CYS 19 HA CYS 19 19.498 3.238 -3.198
126 1HB CYS 19 2HB CYS 19 20.136 5.498 -2.142
127 2HB CYS 19 1HB CYS 19 21.649 5.357 -2.985
128 H GLY 20 H GLY 20 20.182 1.448 -4.311
129 1HA GLY 20 2HA GLY 20 22.937 0.862 -4.945
130 2HA GLY 20 1HA GLY 20 21.521 0.085 -5.651
131 H ARG 21 H ARG 21 24.100 1.460 -6.560
132 HA ARG 21 HA ARG 21 24.165 3.588 -8.057
133 1HB ARG 21 2HB ARG 21 25.527 2.369 -9.715
134 2HB ARG 21 1HB ARG 21 25.884 1.852 -8.087
135 1HG ARG 21 2HG ARG 21 23.741 0.259 -9.486
136 2HG ARG 21 1HG ARG 21 25.344 0.123 -10.165
137 1HD ARG 21 2HD ARG 21 24.895 -0.213 -7.174
138 2HD ARG 21 1HD ARG 21 24.685 -1.553 -8.291
139 HE ARG 21 HE ARG 21 27.252 -0.035 -8.003
140 1HH1 ARG 21 1HH2 ARG 21 27.256 -1.636 -10.391
141 2HH1 ARG 21 2HH2 ARG 21 27.811 -3.192 -9.869
142 1HH2 ARG 21 2HH1 ARG 21 27.138 -2.516 -6.497
143 2HH2 ARG 21 1HH1 ARG 21 27.741 -3.703 -7.604
144 H GLY 22 H GLY 22 23.767 4.438 -9.872
145 1HA GLY 22 2HA GLY 22 21.204 4.255 -11.068
146 2HA GLY 22 1HA GLY 22 22.485 5.313 -11.573
147 H ASN 23 H ASN 23 22.097 1.785 -11.606
148 HA ASN 23 HA ASN 23 21.748 1.769 -14.440
149 1HB ASN 23 2HB ASN 23 24.444 1.833 -13.453
150 2HB ASN 23 1HB ASN 23 24.209 0.168 -13.932
151 1HD2 ASN 23 2HD2 ASN 23 23.983 0.903 -17.394
152 2HD2 ASN 23 1HD2 ASN 23 23.667 -0.260 -16.196
153 HA PRO 24 HA PRO 24 19.811 1.750 -14.077
154 1HB PRO 24 2HB PRO 24 17.293 0.705 -13.816
155 2HB PRO 24 1HB PRO 24 18.240 0.640 -15.297
156 1HG PRO 24 2HG PRO 24 17.590 -1.567 -13.422
157 2HG PRO 24 1HG PRO 24 18.145 -1.670 -15.086
158 1HD PRO 24 2HD PRO 24 19.731 -2.029 -12.670
159 2HD PRO 24 1HD PRO 24 20.291 -2.129 -14.349
160 H GLN 25 H GLN 25 19.883 3.147 -12.406
161 HA GLN 25 HA GLN 25 20.032 3.080 -9.794
162 1HB GLN 25 2HB GLN 25 18.780 4.947 -11.595
163 2HB GLN 25 1HB GLN 25 17.740 4.865 -10.198
164 1HG GLN 25 2HG GLN 25 20.356 4.966 -9.129
165 2HG GLN 25 1HG GLN 25 20.415 6.075 -10.471
166 1HE2 GLN 25 2HE2 GLN 25 17.829 8.228 -9.042
167 2HE2 GLN 25 1HE2 GLN 25 18.190 7.496 -10.532
168 H LYS 26 H LYS 26 19.365 1.871 -8.277
169 HA LYS 26 HA LYS 26 16.518 1.628 -7.615
170 1HB LYS 26 2HB LYS 26 17.900 -0.541 -9.091
171 2HB LYS 26 1HB LYS 26 17.125 -1.113 -7.635
172 1HG LYS 26 2HG LYS 26 15.004 -0.568 -8.325
173 2HG LYS 26 1HG LYS 26 15.510 0.661 -9.460
174 1HD LYS 26 2HD LYS 26 16.625 -1.300 -10.783
175 2HD LYS 26 1HD LYS 26 15.673 -2.357 -9.756
176 1HE LYS 26 2HE LYS 26 13.590 -1.200 -10.516
177 2HE LYS 26 1HE LYS 26 14.558 -0.165 -11.558
178 1HZ LYS 26 1HZ LYS 26 14.496 -3.119 -11.720
179 2HZ LYS 26 3HZ LYS 26 13.588 -2.075 -12.707
180 3HZ LYS 26 2HZ LYS 26 15.287 -2.055 -12.783
181 H CYS 27 H CYS 27 16.149 1.176 -5.389
182 HA CYS 27 HA CYS 27 18.531 1.056 -3.760
183 1HB CYS 27 2HB CYS 27 15.671 0.707 -2.725
184 2HB CYS 27 1HB CYS 27 17.110 1.063 -1.873
185 H ILE 28 H ILE 28 19.073 -0.600 -2.381
186 HA ILE 28 HA ILE 28 17.774 -3.249 -2.665
187 HB ILE 28 HB ILE 28 20.002 -4.289 -2.849
188 1HG1 ILE 28 2HG1 ILE 28 21.199 -2.405 -1.586
189 2HG1 ILE 28 1HG1 ILE 28 22.012 -3.108 -2.928
190 1HG2 ILE 28 1HG2 ILE 28 19.448 -2.226 -5.017
191 2HG2 ILE 28 3HG2 ILE 28 20.658 -3.488 -5.158
192 3HG2 ILE 28 2HG2 ILE 28 18.966 -3.910 -4.975
193 1HD1 ILE 28 1HD1 ILE 28 20.511 -0.796 -3.851
194 2HD1 ILE 28 3HD1 ILE 28 21.618 -0.392 -2.559
195 3HD1 ILE 28 2HD1 ILE 28 22.211 -1.190 -4.000
196 H GLY 29 H GLY 29 19.369 -4.564 -0.877
197 1HA GLY 29 2HA GLY 29 18.989 -2.961 1.578
198 2HA GLY 29 1HA GLY 29 18.958 -4.689 1.543
199 H ALA 30 H ALA 30 20.568 -2.641 3.009
200 HA ALA 30 HA ALA 30 23.339 -2.979 2.131
201 1HB ALA 30 3HB ALA 30 22.129 -1.926 4.735
202 2HB ALA 30 2HB ALA 30 23.841 -1.850 4.342
203 3HB ALA 30 1HB ALA 30 22.679 -0.941 3.390
204 H HIS 31 H HIS 31 21.272 -4.049 4.713
205 HA HIS 31 HA HIS 31 23.109 -6.216 5.559
206 1HB HIS 31 2HB HIS 31 20.646 -4.857 6.692
207 2HB HIS 31 1HB HIS 31 21.087 -6.442 7.308
208 HD1 HIS 31 HD1 HIS 31 22.634 -6.242 9.216
209 HD2 HIS 31 HD2 HIS 31 23.182 -3.079 6.692
210 HE1 HIS 31 HE1 HIS 31 24.379 -4.830 10.240
211 1HN CGU 32 HN CGU 32 22.102 -6.419 3.028
212 HA CGU 32 HA CGU 32 19.984 -8.508 3.086
213 1HB CGU 32 1HB CGU 32 21.268 -7.381 0.573
214 2HB CGU 32 2HB CGU 32 20.251 -6.343 1.534
215 HG CGU 32 HG CGU 32 18.442 -8.073 1.401
216 H ASP 33 H ASP 33 22.475 -8.967 4.213
217 HA ASP 33 HA ASP 33 24.266 -10.424 4.297
218 1HB ASP 33 2HB ASP 33 22.215 -11.955 4.062
219 2HB ASP 33 1HB ASP 33 22.552 -12.046 2.346
220 H VAL 34 H VAL 34 24.408 -8.352 2.459
221 HA VAL 34 HA VAL 34 26.292 -9.446 0.412
222 HB VAL 34 HB VAL 34 24.271 -7.167 0.066
223 1HG1 VAL 34 3HG1 VAL 34 26.472 -8.174 -1.795
224 2HG1 VAL 34 2HG1 VAL 34 25.181 -7.094 -2.303
225 3HG1 VAL 34 1HG1 VAL 34 26.339 -6.566 -1.097
226 1HG2 VAL 34 3HG2 VAL 34 24.010 -9.994 -0.442
227 2HG2 VAL 34 2HG2 VAL 34 22.889 -8.714 -0.857
228 3HG2 VAL 34 1HG2 VAL 34 24.122 -9.202 -1.996
No H/Q in entry = 228
Start of MODEL 15
1 1H ALA 1 3H ALA 1 9.733 10.677 3.312
2 2H ALA 1 2H ALA 1 8.161 10.514 3.935
3 3H ALA 1 1H ALA 1 9.411 9.517 4.511
4 HA ALA 1 HA ALA 1 8.076 8.238 3.046
5 1HB ALA 1 3HB ALA 1 7.276 10.391 1.816
6 2HB ALA 1 2HB ALA 1 8.717 10.226 0.829
7 3HB ALA 1 1HB ALA 1 7.502 8.954 0.831
8 H CYS 2 H CYS 2 9.141 6.558 2.043
9 HA CYS 2 HA CYS 2 11.936 7.003 1.146
10 1HB CYS 2 2HB CYS 2 12.483 4.878 2.181
11 2HB CYS 2 1HB CYS 2 12.036 6.054 3.370
12 H SER 3 H SER 3 12.797 5.052 0.055
13 HA SER 3 HA SER 3 10.847 4.082 -2.004
14 1HB SER 3 2HB SER 3 13.811 4.726 -2.054
15 2HB SER 3 1HB SER 3 13.208 3.478 -3.148
16 HG SER 3 HG SER 3 11.868 5.953 -2.834
17 H GLY 4 H GLY 4 10.864 1.855 -2.543
18 1HA GLY 4 2HA GLY 4 11.789 0.084 -0.320
19 2HA GLY 4 1HA GLY 4 10.527 -0.301 -1.481
20 H ARG 5 H ARG 5 12.282 -2.224 -1.202
21 HA ARG 5 HA ARG 5 14.633 -2.007 -2.864
22 1HB ARG 5 2HB ARG 5 13.910 -3.785 -0.958
23 2HB ARG 5 1HB ARG 5 13.292 -4.680 -2.325
24 1HG ARG 5 2HG ARG 5 15.630 -4.372 -3.398
25 2HG ARG 5 1HG ARG 5 16.139 -3.726 -1.846
26 1HD ARG 5 2HD ARG 5 16.666 -6.143 -1.975
27 2HD ARG 5 1HD ARG 5 15.438 -5.859 -0.740
28 HE ARG 5 HE ARG 5 14.264 -6.400 -3.338
29 1HH1 ARG 5 1HH2 ARG 5 12.626 -7.486 -1.512
30 2HH1 ARG 5 2HH2 ARG 5 13.133 -9.118 -1.225
31 1HH2 ARG 5 2HH1 ARG 5 16.316 -8.581 -2.586
32 2HH2 ARG 5 1HH1 ARG 5 15.274 -9.754 -1.850
33 H GLY 6 H GLY 6 13.938 -1.120 -4.718
34 1HA GLY 6 2HA GLY 6 13.629 -2.441 -7.034
35 2HA GLY 6 1HA GLY 6 11.958 -2.435 -6.470
36 H SER 7 H SER 7 13.125 0.254 -5.164
37 HA SER 7 HA SER 7 12.670 2.020 -7.536
38 1HB SER 7 2HB SER 7 11.620 2.387 -4.667
39 2HB SER 7 1HB SER 7 11.430 3.566 -5.977
40 HG SER 7 HG SER 7 10.439 1.873 -7.191
41 H ARG 8 H ARG 8 14.050 3.819 -7.582
42 HA ARG 8 HA ARG 8 16.446 3.584 -5.896
43 1HB ARG 8 2HB ARG 8 17.334 5.374 -7.384
44 2HB ARG 8 1HB ARG 8 16.735 3.989 -8.251
45 1HG ARG 8 2HG ARG 8 14.566 5.887 -7.899
46 2HG ARG 8 1HG ARG 8 15.950 6.723 -8.548
47 1HD ARG 8 2HD ARG 8 16.145 4.873 -10.322
48 2HD ARG 8 1HD ARG 8 14.565 4.304 -9.775
49 HE ARG 8 HE ARG 8 14.102 6.966 -10.243
50 1HH1 ARG 8 2HH1 ARG 8 16.557 6.303 -12.111
51 2HH1 ARG 8 1HH1 ARG 8 15.724 6.128 -13.616
52 1HH2 ARG 8 1HH2 ARG 8 12.579 5.935 -12.110
53 2HH2 ARG 8 2HH2 ARG 8 13.435 5.916 -13.617
54 H CYS 9 H CYS 9 17.360 5.996 -5.561
55 HA CYS 9 HA CYS 9 15.431 7.281 -3.744
56 1HB CYS 9 2HB CYS 9 17.273 7.946 -2.383
57 2HB CYS 9 1HB CYS 9 17.446 6.251 -2.725
58 HA HYP 10 HA HYP 10 15.202 8.998 -2.688
59 1HB HYP 10 1HB HYP 10 15.097 11.088 -1.932
60 2HB HYP 10 2HB HYP 10 13.631 11.322 -2.870
61 1HD HYP 10 1HD1 HYP 10 17.166 11.299 -5.065
62 2HD HYP 10 2HD1 HYP 10 15.639 11.239 -5.958
63 HOD HYP 10 HD2 HYP 10 16.261 13.409 -2.885
64 HG HYP 10 HG HYP 10 14.844 12.766 -4.349
65 HA HYP 11 HA HYP 11 12.775 10.076 -1.496
66 1HB HYP 11 1HB HYP 11 10.674 9.591 -0.828
67 2HB HYP 11 2HB HYP 11 11.189 7.963 -0.448
68 1HD HYP 11 1HD1 HYP 11 10.721 9.178 -4.322
69 2HD HYP 11 2HD1 HYP 11 11.290 7.503 -4.288
70 HOD HYP 11 HD2 HYP 11 9.459 9.862 -2.587
71 HG HYP 11 HG HYP 11 10.078 7.097 -2.310
72 H GLN 12 H GLN 12 14.366 9.637 -0.098
73 HA GLN 12 HA GLN 12 16.413 7.855 -0.419
74 1HB GLN 12 2HB GLN 12 15.239 8.927 2.174
75 2HB GLN 12 1HB GLN 12 16.738 8.017 2.133
76 1HG GLN 12 2HG GLN 12 17.670 9.715 0.493
77 2HG GLN 12 1HG GLN 12 16.198 10.657 0.699
78 1HE2 GLN 12 2HE2 GLN 12 17.164 11.971 3.827
79 2HE2 GLN 12 1HE2 GLN 12 15.960 11.883 2.634
80 H CYS 13 H CYS 13 16.679 5.698 -0.339
81 HA CYS 13 HA CYS 13 14.600 3.888 -0.012
82 1HB CYS 13 2HB CYS 13 17.284 2.951 0.905
83 2HB CYS 13 1HB CYS 13 16.118 2.229 -0.147
84 H CYS 14 H CYS 14 13.692 2.824 1.487
85 HA CYS 14 HA CYS 14 13.394 3.743 4.104
86 1HB CYS 14 2HB CYS 14 12.838 0.955 3.061
87 2HB CYS 14 1HB CYS 14 12.096 1.688 4.455
88 H MET 15 H MET 15 13.649 2.479 6.090
89 HA MET 15 HA MET 15 16.327 2.127 6.786
90 1HB MET 15 2HB MET 15 14.329 2.510 8.329
91 2HB MET 15 1HB MET 15 13.936 0.812 8.160
92 1HG MET 15 2HG MET 15 16.689 1.676 9.058
93 2HG MET 15 1HG MET 15 15.374 1.618 10.193
94 1HE MET 15 2HE MET 15 13.762 -0.764 10.094
95 2HE MET 15 1HE MET 15 14.717 -1.997 10.887
96 3HE MET 15 3HE MET 15 14.717 -0.371 11.546
97 H GLY 16 H GLY 16 17.727 0.620 6.454
98 1HA GLY 16 2HA GLY 16 18.478 -1.677 6.568
99 2HA GLY 16 1HA GLY 16 16.901 -2.176 5.960
100 H LEU 17 H LEU 17 16.793 -0.045 3.967
101 HA LEU 17 HA LEU 17 18.388 -1.342 1.913
102 1HB LEU 17 2HB LEU 17 16.406 0.952 1.709
103 2HB LEU 17 1HB LEU 17 17.162 0.191 0.337
104 HG LEU 17 HG LEU 17 15.125 -0.970 2.262
105 1HD1 LEU 17 3HD1 LEU 17 14.305 0.517 0.488
106 2HD1 LEU 17 2HD1 LEU 17 15.001 -0.545 -0.727
107 3HD1 LEU 17 1HD1 LEU 17 13.711 -1.124 0.320
108 1HD2 LEU 17 2HD2 LEU 17 16.773 -2.792 1.670
109 2HD2 LEU 17 1HD2 LEU 17 15.187 -3.082 0.990
110 3HD2 LEU 17 3HD2 LEU 17 16.469 -2.467 -0.032
111 H ARG 18 H ARG 18 19.320 -0.026 0.254
112 HA ARG 18 HA ARG 18 20.611 2.519 0.995
113 1HB ARG 18 2HB ARG 18 22.689 1.395 -0.192
114 2HB ARG 18 1HB ARG 18 22.440 1.170 1.527
115 1HG ARG 18 2HG ARG 18 21.549 -1.022 1.192
116 2HG ARG 18 1HG ARG 18 21.291 -0.770 -0.511
117 1HD ARG 18 2HD ARG 18 24.098 -0.710 0.666
118 2HD ARG 18 1HD ARG 18 23.345 -2.206 0.115
119 HE ARG 18 HE ARG 18 23.210 -0.027 -1.822
120 1HH1 ARG 18 2HH1 ARG 18 23.861 -3.233 -1.530
121 2HH1 ARG 18 1HH1 ARG 18 25.241 -3.264 -2.577
122 1HH2 ARG 18 1HH2 ARG 18 25.470 0.224 -2.731
123 2HH2 ARG 18 2HH2 ARG 18 26.177 -1.264 -3.265
124 H CYS 19 H CYS 19 21.242 3.628 -0.865
125 HA CYS 19 HA CYS 19 19.551 3.108 -3.203
126 1HB CYS 19 2HB CYS 19 20.080 5.356 -2.115
127 2HB CYS 19 1HB CYS 19 21.622 5.292 -2.908
128 H GLY 20 H GLY 20 20.253 1.421 -4.445
129 1HA GLY 20 2HA GLY 20 23.068 0.999 -5.092
130 2HA GLY 20 1HA GLY 20 21.696 0.091 -5.724
131 H ARG 21 H ARG 21 23.891 2.614 -6.395
132 HA ARG 21 HA ARG 21 22.469 4.062 -8.361
133 1HB ARG 21 2HB ARG 21 25.372 3.634 -7.688
134 2HB ARG 21 1HB ARG 21 25.016 4.344 -9.245
135 1HG ARG 21 2HG ARG 21 25.201 6.239 -7.860
136 2HG ARG 21 1HG ARG 21 23.467 5.998 -7.925
137 1HD ARG 21 2HD ARG 21 23.582 4.739 -5.760
138 2HD ARG 21 1HD ARG 21 25.322 5.029 -5.702
139 HE ARG 21 HE ARG 21 23.737 7.468 -5.989
140 1HH1 ARG 21 2HH1 ARG 21 23.398 5.347 -3.565
141 2HH1 ARG 21 1HH1 ARG 21 24.167 6.275 -2.323
142 1HH2 ARG 21 1HH2 ARG 21 25.475 8.599 -4.595
143 2HH2 ARG 21 2HH2 ARG 21 25.376 8.161 -2.922
144 H GLY 22 H GLY 22 22.083 3.752 -10.465
145 1HA GLY 22 2HA GLY 22 23.463 1.879 -12.176
146 2HA GLY 22 1HA GLY 22 21.909 1.225 -11.646
147 H ASN 23 H ASN 23 21.000 1.348 -13.729
148 HA ASN 23 HA ASN 23 19.883 3.952 -14.376
149 1HB ASN 23 2HB ASN 23 22.330 3.581 -15.517
150 2HB ASN 23 1HB ASN 23 21.361 2.799 -16.750
151 1HD2 ASN 23 2HD2 ASN 23 21.260 6.824 -16.346
152 2HD2 ASN 23 1HD2 ASN 23 22.213 5.854 -15.331
153 HA PRO 24 HA PRO 24 17.956 4.230 -14.003
154 1HB PRO 24 2HB PRO 24 15.628 3.188 -12.909
155 2HB PRO 24 1HB PRO 24 15.730 4.252 -14.303
156 1HG PRO 24 2HG PRO 24 15.123 1.365 -14.260
157 2HG PRO 24 1HG PRO 24 14.843 2.537 -15.541
158 1HD PRO 24 2HD PRO 24 16.935 0.572 -15.454
159 2HD PRO 24 1HD PRO 24 16.758 1.869 -16.646
160 H GLN 25 H GLN 25 18.561 4.486 -11.918
161 HA GLN 25 HA GLN 25 19.930 2.446 -10.483
162 1HB GLN 25 2HB GLN 25 18.670 4.764 -8.999
163 2HB GLN 25 1HB GLN 25 20.216 4.009 -8.724
164 1HG GLN 25 2HG GLN 25 21.140 5.730 -9.890
165 2HG GLN 25 1HG GLN 25 20.437 5.048 -11.341
166 1HE2 GLN 25 2HE2 GLN 25 19.007 8.528 -10.021
167 2HE2 GLN 25 1HE2 GLN 25 20.435 7.832 -9.421
168 H LYS 26 H LYS 26 19.325 1.675 -8.248
169 HA LYS 26 HA LYS 26 16.505 1.492 -7.543
170 1HB LYS 26 2HB LYS 26 17.799 -0.626 -9.153
171 2HB LYS 26 1HB LYS 26 17.140 -1.266 -7.664
172 1HG LYS 26 2HG LYS 26 14.949 -0.292 -8.170
173 2HG LYS 26 1HG LYS 26 15.566 0.418 -9.648
174 1HD LYS 26 2HD LYS 26 16.265 -1.997 -10.316
175 2HD LYS 26 1HD LYS 26 15.223 -2.532 -9.008
176 1HE LYS 26 2HE LYS 26 13.267 -1.653 -10.058
177 2HE LYS 26 1HE LYS 26 14.197 -0.639 -11.154
178 1HZ LYS 26 2HZ LYS 26 14.514 -3.557 -11.208
179 2HZ LYS 26 1HZ LYS 26 13.204 -2.821 -11.998
180 3HZ LYS 26 3HZ LYS 26 14.796 -2.418 -12.436
181 H CYS 27 H CYS 27 16.225 1.076 -5.369
182 HA CYS 27 HA CYS 27 18.600 0.915 -3.765
183 1HB CYS 27 2HB CYS 27 15.712 0.613 -2.778
184 2HB CYS 27 1HB CYS 27 17.136 0.929 -1.871
185 H ILE 28 H ILE 28 19.231 -0.734 -2.478
186 HA ILE 28 HA ILE 28 17.968 -3.418 -2.751
187 HB ILE 28 HB ILE 28 20.250 -4.383 -2.892
188 1HG1 ILE 28 2HG1 ILE 28 21.412 -2.451 -1.725
189 2HG1 ILE 28 1HG1 ILE 28 22.197 -3.104 -3.111
190 1HG2 ILE 28 3HG2 ILE 28 19.424 -2.478 -5.096
191 2HG2 ILE 28 2HG2 ILE 28 20.850 -3.490 -5.246
192 3HG2 ILE 28 1HG2 ILE 28 19.276 -4.223 -5.019
193 1HD1 ILE 28 3HD1 ILE 28 20.642 -0.967 -4.137
194 2HD1 ILE 28 2HD1 ILE 28 21.400 -0.397 -2.662
195 3HD1 ILE 28 1HD1 ILE 28 22.385 -1.060 -3.942
196 H GLY 29 H GLY 29 19.679 -4.703 -0.937
197 1HA GLY 29 2HA GLY 29 19.104 -3.168 1.506
198 2HA GLY 29 1HA GLY 29 19.284 -4.881 1.439
199 H ALA 30 H ALA 30 20.572 -2.663 2.968
200 HA ALA 30 HA ALA 30 23.444 -2.836 2.287
201 1HB ALA 30 1HB ALA 30 21.704 -1.148 4.086
202 2HB ALA 30 3HB ALA 30 23.375 -1.374 4.579
203 3HB ALA 30 2HB ALA 30 23.011 -0.645 3.027
204 H HIS 31 H HIS 31 21.086 -3.695 4.654
205 HA HIS 31 HA HIS 31 22.947 -5.305 6.297
206 1HB HIS 31 2HB HIS 31 20.908 -3.783 7.085
207 2HB HIS 31 1HB HIS 31 19.925 -5.176 6.680
208 HD1 HIS 31 HD1 HIS 31 20.494 -4.123 9.584
209 HD2 HIS 31 HD2 HIS 31 22.339 -7.367 7.923
210 HE1 HIS 31 HE1 HIS 31 21.279 -5.514 11.464
211 1HN CGU 32 HN CGU 32 22.807 -6.095 3.715
212 HA CGU 32 HA CGU 32 21.307 -8.672 3.764
213 1HB CGU 32 1HB CGU 32 22.091 -6.915 1.398
214 2HB CGU 32 2HB CGU 32 20.492 -6.956 2.107
215 HG CGU 32 HG CGU 32 21.841 -9.398 0.953
216 H ASP 33 H ASP 33 23.250 -9.347 4.958
217 HA ASP 33 HA ASP 33 25.721 -9.645 3.362
218 1HB ASP 33 2HB ASP 33 25.503 -9.063 5.959
219 2HB ASP 33 1HB ASP 33 25.316 -10.798 6.148
220 H VAL 34 H VAL 34 23.404 -10.947 2.479
221 HA VAL 34 HA VAL 34 24.447 -13.639 2.109
222 HB VAL 34 HB VAL 34 23.247 -13.886 4.278
223 1HG1 VAL 34 1HG1 VAL 34 21.588 -12.035 3.984
224 2HG1 VAL 34 3HG1 VAL 34 20.712 -13.027 2.824
225 3HG1 VAL 34 2HG1 VAL 34 20.841 -13.534 4.497
226 1HG2 VAL 34 1HG2 VAL 34 23.205 -15.737 2.506
227 2HG2 VAL 34 3HG2 VAL 34 21.969 -15.831 3.747
228 3HG2 VAL 34 2HG2 VAL 34 21.558 -15.237 2.147
No H/Q in entry = 228
Start of MODEL 16
1 1H ALA 1 3H ALA 1 9.146 9.145 4.273
2 2H ALA 1 2H ALA 1 7.454 9.140 4.122
3 3H ALA 1 1H ALA 1 8.332 7.706 3.878
4 HA ALA 1 HA ALA 1 7.656 8.597 1.772
5 1HB ALA 1 3HB ALA 1 7.495 10.986 2.524
6 2HB ALA 1 2HB ALA 1 9.243 11.063 2.651
7 3HB ALA 1 1HB ALA 1 8.485 10.855 1.081
8 H CYS 2 H CYS 2 9.203 6.677 2.313
9 HA CYS 2 HA CYS 2 11.881 7.187 1.112
10 1HB CYS 2 2HB CYS 2 12.479 5.055 2.286
11 2HB CYS 2 1HB CYS 2 12.139 6.329 3.400
12 H SER 3 H SER 3 12.715 4.988 0.229
13 HA SER 3 HA SER 3 10.702 3.938 -1.731
14 1HB SER 3 2HB SER 3 13.637 4.629 -1.921
15 2HB SER 3 1HB SER 3 13.051 3.303 -2.917
16 HG SER 3 HG SER 3 11.575 4.576 -3.819
17 H GLY 4 H GLY 4 10.838 1.641 -2.238
18 1HA GLY 4 2HA GLY 4 11.817 0.022 0.082
19 2HA GLY 4 1HA GLY 4 10.554 -0.469 -1.046
20 H ARG 5 H ARG 5 12.628 -2.245 -0.663
21 HA ARG 5 HA ARG 5 14.850 -1.828 -2.364
22 1HB ARG 5 2HB ARG 5 14.197 -3.848 -0.643
23 2HB ARG 5 1HB ARG 5 13.794 -4.654 -2.143
24 1HG ARG 5 2HG ARG 5 16.017 -4.235 -3.058
25 2HG ARG 5 1HG ARG 5 16.431 -3.214 -1.695
26 1HD ARG 5 2HD ARG 5 17.468 -5.267 -1.205
27 2HD ARG 5 1HD ARG 5 16.013 -5.309 -0.213
28 HE ARG 5 HE ARG 5 15.360 -6.469 -2.711
29 1HH1 ARG 5 1HH2 ARG 5 17.914 -7.757 -2.770
30 2HH1 ARG 5 2HH2 ARG 5 17.747 -9.126 -1.724
31 1HH2 ARG 5 2HH1 ARG 5 14.879 -7.857 -0.174
32 2HH2 ARG 5 1HH1 ARG 5 15.989 -9.185 -0.221
33 H GLY 6 H GLY 6 14.839 -1.469 -4.447
34 1HA GLY 6 2HA GLY 6 14.535 -2.477 -6.704
35 2HA GLY 6 1HA GLY 6 12.876 -2.858 -6.249
36 H SER 7 H SER 7 12.852 -0.168 -4.795
37 HA SER 7 HA SER 7 11.838 1.423 -7.048
38 1HB SER 7 2HB SER 7 11.954 1.902 -4.020
39 2HB SER 7 1HB SER 7 11.251 3.065 -5.157
40 HG SER 7 HG SER 7 9.592 1.783 -4.639
41 H ARG 8 H ARG 8 12.674 3.663 -7.339
42 HA ARG 8 HA ARG 8 15.589 3.667 -7.338
43 1HB ARG 8 2HB ARG 8 15.385 5.725 -8.601
44 2HB ARG 8 1HB ARG 8 14.085 4.686 -9.148
45 1HG ARG 8 2HG ARG 8 12.610 5.863 -7.381
46 2HG ARG 8 1HG ARG 8 13.895 7.022 -7.205
47 1HD ARG 8 2HD ARG 8 12.329 7.938 -8.822
48 2HD ARG 8 1HD ARG 8 13.788 7.473 -9.694
49 HE ARG 8 HE ARG 8 11.571 5.495 -9.554
50 1HH1 ARG 8 1HH2 ARG 8 13.734 5.073 -11.442
51 2HH1 ARG 8 2HH2 ARG 8 13.122 5.721 -12.929
52 1HH2 ARG 8 2HH1 ARG 8 10.603 7.550 -11.318
53 2HH2 ARG 8 1HH1 ARG 8 11.302 7.164 -12.856
54 H CYS 9 H CYS 9 16.220 6.236 -6.817
55 HA CYS 9 HA CYS 9 15.298 7.030 -4.206
56 1HB CYS 9 2HB CYS 9 17.844 6.829 -3.398
57 2HB CYS 9 1HB CYS 9 16.683 5.554 -3.191
58 HA HYP 10 HA HYP 10 15.423 8.626 -2.944
59 1HB HYP 10 1HB HYP 10 15.580 10.667 -2.051
60 2HB HYP 10 2HB HYP 10 14.199 11.159 -3.011
61 1HD HYP 10 1HD1 HYP 10 17.850 10.736 -4.966
62 2HD HYP 10 2HD1 HYP 10 16.446 10.983 -6.011
63 HOD HYP 10 HD2 HYP 10 17.593 11.201 -2.724
64 HG HYP 10 HG HYP 10 15.678 12.490 -4.381
65 HA HYP 11 HA HYP 11 12.943 9.991 -1.830
66 1HB HYP 11 1HB HYP 11 10.821 9.489 -1.237
67 2HB HYP 11 2HB HYP 11 11.311 7.837 -0.902
68 1HD HYP 11 1HD1 HYP 11 11.086 9.071 -4.815
69 2HD HYP 11 2HD1 HYP 11 11.641 7.397 -4.668
70 HOD HYP 11 HD2 HYP 11 8.907 8.933 -2.315
71 HG HYP 11 HG HYP 11 10.211 7.089 -2.820
72 H GLN 12 H GLN 12 14.484 9.586 -0.379
73 HA GLN 12 HA GLN 12 16.492 7.741 -0.526
74 1HB GLN 12 2HB GLN 12 16.298 9.683 1.104
75 2HB GLN 12 1HB GLN 12 15.294 8.669 2.124
76 1HG GLN 12 2HG GLN 12 17.135 7.052 2.406
77 2HG GLN 12 1HG GLN 12 18.131 7.936 1.255
78 1HE2 GLN 12 2HE2 GLN 12 19.072 10.443 3.573
79 2HE2 GLN 12 1HE2 GLN 12 19.051 9.981 1.939
80 H CYS 13 H CYS 13 16.695 5.567 -0.297
81 HA CYS 13 HA CYS 13 14.468 3.875 0.073
82 1HB CYS 13 2HB CYS 13 17.097 2.722 0.903
83 2HB CYS 13 1HB CYS 13 15.885 2.179 -0.188
84 H CYS 14 H CYS 14 13.589 2.887 1.734
85 HA CYS 14 HA CYS 14 13.590 4.027 4.310
86 1HB CYS 14 2HB CYS 14 12.673 1.219 3.682
87 2HB CYS 14 1HB CYS 14 12.062 2.291 4.907
88 H MET 15 H MET 15 13.831 2.640 6.331
89 HA MET 15 HA MET 15 16.561 1.995 6.683
90 1HB MET 15 2HB MET 15 14.886 2.715 8.503
91 2HB MET 15 1HB MET 15 14.196 1.108 8.433
92 1HG MET 15 2HG MET 15 15.676 0.964 10.224
93 2HG MET 15 1HG MET 15 16.600 0.258 8.938
94 1HE MET 15 2HE MET 15 18.346 1.004 7.852
95 2HE MET 15 1HE MET 15 19.047 2.609 7.852
96 3HE MET 15 3HE MET 15 19.625 1.376 8.993
97 H GLY 16 H GLY 16 17.572 0.409 5.925
98 1HA GLY 16 2HA GLY 16 17.780 -2.157 6.238
99 2HA GLY 16 1HA GLY 16 16.271 -2.156 5.297
100 H LEU 17 H LEU 17 16.583 -0.158 3.611
101 HA LEU 17 HA LEU 17 18.410 -1.268 1.714
102 1HB LEU 17 2HB LEU 17 16.451 1.008 1.642
103 2HB LEU 17 1HB LEU 17 17.306 0.470 0.210
104 HG LEU 17 HG LEU 17 15.603 -0.776 -0.182
105 1HD1 LEU 17 3HD1 LEU 17 16.332 -2.403 2.190
106 2HD1 LEU 17 2HD1 LEU 17 15.215 -2.871 0.911
107 3HD1 LEU 17 1HD1 LEU 17 16.902 -2.577 0.527
108 1HD2 LEU 17 3HD2 LEU 17 14.177 0.578 1.184
109 2HD2 LEU 17 2HD2 LEU 17 13.654 -1.096 1.196
110 3HD2 LEU 17 1HD2 LEU 17 14.518 -0.438 2.586
111 H ARG 18 H ARG 18 19.393 0.065 0.202
112 HA ARG 18 HA ARG 18 20.783 2.512 1.021
113 1HB ARG 18 2HB ARG 18 22.842 1.188 -0.163
114 2HB ARG 18 1HB ARG 18 22.593 1.195 1.567
115 1HG ARG 18 2HG ARG 18 21.690 -0.946 1.580
116 2HG ARG 18 1HG ARG 18 21.272 -0.944 -0.107
117 1HD ARG 18 2HD ARG 18 24.141 -0.984 0.937
118 2HD ARG 18 1HD ARG 18 23.281 -2.387 0.299
119 HE ARG 18 HE ARG 18 23.031 -0.520 -1.707
120 1HH1 ARG 18 2HH1 ARG 18 25.378 0.859 -1.417
121 2HH1 ARG 18 1HH1 ARG 18 26.651 -0.156 -2.012
122 1HH2 ARG 18 1HH2 ARG 18 24.690 -3.057 -1.802
123 2HH2 ARG 18 2HH2 ARG 18 26.249 -2.440 -2.241
124 H CYS 19 H CYS 19 21.303 3.652 -0.768
125 HA CYS 19 HA CYS 19 19.738 3.063 -3.165
126 1HB CYS 19 2HB CYS 19 19.876 5.304 -2.177
127 2HB CYS 19 1HB CYS 19 21.565 5.389 -2.593
128 H GLY 20 H GLY 20 20.444 1.673 -4.622
129 1HA GLY 20 2HA GLY 20 23.297 1.439 -5.328
130 2HA GLY 20 1HA GLY 20 21.968 0.466 -5.971
131 H ARG 21 H ARG 21 24.032 3.021 -6.598
132 HA ARG 21 HA ARG 21 22.536 4.729 -8.246
133 1HB ARG 21 2HB ARG 21 25.335 4.242 -7.623
134 2HB ARG 21 1HB ARG 21 25.202 4.505 -9.342
135 1HG ARG 21 2HG ARG 21 23.674 6.416 -7.583
136 2HG ARG 21 1HG ARG 21 25.419 6.517 -7.523
137 1HD ARG 21 2HD ARG 21 25.587 6.955 -9.897
138 2HD ARG 21 1HD ARG 21 23.901 6.522 -10.165
139 HE ARG 21 HE ARG 21 23.352 8.720 -9.603
140 1HH1 ARG 21 1HH2 ARG 21 23.878 8.799 -6.830
141 2HH1 ARG 21 2HH2 ARG 21 25.212 9.889 -6.644
142 1HH2 ARG 21 2HH1 ARG 21 26.122 9.659 -10.022
143 2HH2 ARG 21 1HH1 ARG 21 26.516 10.388 -8.501
144 H GLY 22 H GLY 22 22.238 4.875 -10.439
145 1HA GLY 22 2HA GLY 22 23.092 3.202 -12.503
146 2HA GLY 22 1HA GLY 22 21.679 2.396 -11.813
147 H ASN 23 H ASN 23 20.636 2.732 -13.830
148 HA ASN 23 HA ASN 23 19.113 5.219 -13.909
149 1HB ASN 23 2HB ASN 23 21.131 5.890 -15.189
150 2HB ASN 23 1HB ASN 23 20.934 4.509 -16.258
151 1HD2 ASN 23 2HD2 ASN 23 18.338 7.679 -16.575
152 2HD2 ASN 23 1HD2 ASN 23 19.195 7.443 -15.130
153 HA PRO 24 HA PRO 24 17.157 5.267 -13.527
154 1HB PRO 24 2HB PRO 24 15.092 3.819 -12.370
155 2HB PRO 24 1HB PRO 24 14.937 4.985 -13.677
156 1HG PRO 24 2HG PRO 24 14.770 2.035 -13.816
157 2HG PRO 24 1HG PRO 24 14.203 3.227 -14.976
158 1HD PRO 24 2HD PRO 24 16.565 1.615 -15.211
159 2HD PRO 24 1HD PRO 24 16.115 2.965 -16.264
160 H GLN 25 H GLN 25 17.825 5.479 -11.440
161 HA GLN 25 HA GLN 25 19.590 3.598 -10.243
162 1HB GLN 25 2HB GLN 25 17.972 5.779 -8.839
163 2HB GLN 25 1HB GLN 25 19.400 4.991 -8.186
164 1HG GLN 25 2HG GLN 25 20.714 5.842 -10.161
165 2HG GLN 25 1HG GLN 25 19.291 6.729 -10.688
166 1HE2 GLN 25 2HE2 GLN 25 21.702 8.496 -8.124
167 2HE2 GLN 25 1HE2 GLN 25 22.128 7.247 -9.191
168 H LYS 26 H LYS 26 19.273 2.300 -8.289
169 HA LYS 26 HA LYS 26 16.513 1.712 -7.474
170 1HB LYS 26 2HB LYS 26 18.207 -0.247 -9.045
171 2HB LYS 26 1HB LYS 26 16.993 -0.827 -7.919
172 1HG LYS 26 2HG LYS 26 15.363 0.791 -9.159
173 2HG LYS 26 1HG LYS 26 16.588 0.833 -10.417
174 1HD LYS 26 2HD LYS 26 16.494 -1.658 -10.581
175 2HD LYS 26 1HD LYS 26 15.221 -1.680 -9.373
176 1HE LYS 26 2HE LYS 26 15.098 -0.402 -12.139
177 2HE LYS 26 1HE LYS 26 14.137 -1.750 -11.549
178 1HZ LYS 26 3HZ LYS 26 13.393 -0.093 -9.777
179 2HZ LYS 26 2HZ LYS 26 13.961 1.094 -10.839
180 3HZ LYS 26 1HZ LYS 26 12.722 0.035 -11.338
181 H CYS 27 H CYS 27 16.383 1.267 -5.453
182 HA CYS 27 HA CYS 27 18.663 1.021 -3.762
183 1HB CYS 27 2HB CYS 27 15.753 0.510 -3.008
184 2HB CYS 27 1HB CYS 27 17.090 0.826 -1.963
185 H ILE 28 H ILE 28 19.247 -0.623 -2.501
186 HA ILE 28 HA ILE 28 18.212 -3.379 -2.950
187 HB ILE 28 HB ILE 28 20.650 -4.114 -2.838
188 1HG1 ILE 28 2HG1 ILE 28 21.168 -1.596 -1.973
189 2HG1 ILE 28 1HG1 ILE 28 22.371 -2.629 -2.660
190 1HG2 ILE 28 2HG2 ILE 28 19.795 -2.457 -5.246
191 2HG2 ILE 28 1HG2 ILE 28 21.141 -3.587 -5.242
192 3HG2 ILE 28 3HG2 ILE 28 19.507 -4.164 -4.974
193 1HD1 ILE 28 1HD1 ILE 28 20.748 -0.640 -4.250
194 2HD1 ILE 28 3HD1 ILE 28 22.321 -0.293 -3.541
195 3HD1 ILE 28 2HD1 ILE 28 22.177 -1.524 -4.790
196 H GLY 29 H GLY 29 19.811 -4.577 -1.087
197 1HA GLY 29 2HA GLY 29 19.147 -3.075 1.381
198 2HA GLY 29 1HA GLY 29 19.176 -4.796 1.302
199 H ALA 30 H ALA 30 20.528 -2.752 2.946
200 HA ALA 30 HA ALA 30 23.416 -3.118 2.413
201 1HB ALA 30 3HB ALA 30 21.740 -1.376 4.193
202 2HB ALA 30 2HB ALA 30 23.331 -1.803 4.804
203 3HB ALA 30 1HB ALA 30 23.177 -0.964 3.275
204 H HIS 31 H HIS 31 20.976 -3.844 4.786
205 HA HIS 31 HA HIS 31 22.719 -5.785 6.228
206 1HB HIS 31 2HB HIS 31 21.256 -3.994 7.414
207 2HB HIS 31 1HB HIS 31 19.863 -4.944 6.929
208 HD1 HIS 31 HD1 HIS 31 23.131 -5.757 8.650
209 HD2 HIS 31 HD2 HIS 31 19.167 -6.707 8.894
210 HE1 HIS 31 HE1 HIS 31 22.905 -7.316 10.550
211 1HN CGU 32 HN CGU 32 22.143 -6.447 3.680
212 HA CGU 32 HA CGU 32 19.898 -8.366 3.631
213 1HB CGU 32 1HB CGU 32 21.855 -7.962 1.351
214 2HB CGU 32 2HB CGU 32 20.798 -6.654 1.782
215 HG CGU 32 HG CGU 32 19.056 -8.838 1.754
216 H ASP 33 H ASP 33 21.095 -9.409 5.411
217 HA ASP 33 HA ASP 33 23.401 -11.075 4.639
218 1HB ASP 33 2HB ASP 33 22.003 -11.279 7.320
219 2HB ASP 33 1HB ASP 33 23.711 -11.388 6.950
220 H VAL 34 H VAL 34 21.160 -11.624 3.130
221 HA VAL 34 HA VAL 34 20.461 -14.370 4.063
222 HB VAL 34 HB VAL 34 18.578 -12.812 4.496
223 1HG1 VAL 34 3HG1 VAL 34 18.633 -12.256 1.497
224 2HG1 VAL 34 2HG1 VAL 34 17.375 -11.729 2.603
225 3HG1 VAL 34 1HG1 VAL 34 19.003 -11.109 2.782
226 1HG2 VAL 34 1HG2 VAL 34 18.204 -15.239 3.675
227 2HG2 VAL 34 3HG2 VAL 34 16.838 -14.141 3.580
228 3HG2 VAL 34 2HG2 VAL 34 17.755 -14.525 2.134
No H/Q in entry = 228
Start of MODEL 17
1 1H ALA 1 3H ALA 1 9.087 10.171 3.683
2 2H ALA 1 2H ALA 1 8.713 10.813 2.155
3 3H ALA 1 1H ALA 1 7.467 10.448 3.250
4 HA ALA 1 HA ALA 1 7.903 8.126 3.091
5 1HB ALA 1 2HB ALA 1 6.443 9.172 1.337
6 2HB ALA 1 1HB ALA 1 7.854 9.396 0.314
7 3HB ALA 1 3HB ALA 1 7.302 7.775 0.712
8 H CYS 2 H CYS 2 9.021 6.405 1.967
9 HA CYS 2 HA CYS 2 11.813 7.053 1.178
10 1HB CYS 2 2HB CYS 2 12.416 4.936 2.301
11 2HB CYS 2 1HB CYS 2 11.904 6.137 3.435
12 H SER 3 H SER 3 12.811 4.997 0.207
13 HA SER 3 HA SER 3 10.962 3.986 -1.921
14 1HB SER 3 2HB SER 3 13.874 4.727 -1.869
15 2HB SER 3 1HB SER 3 13.456 3.320 -2.843
16 HG SER 3 HG SER 3 12.641 5.945 -3.038
17 H GLY 4 H GLY 4 10.938 1.802 -2.422
18 1HA GLY 4 2HA GLY 4 11.742 -0.018 -0.187
19 2HA GLY 4 1HA GLY 4 10.511 -0.359 -1.404
20 H ARG 5 H ARG 5 12.253 -2.328 -1.106
21 HA ARG 5 HA ARG 5 14.635 -2.041 -2.726
22 1HB ARG 5 2HB ARG 5 14.328 -3.780 -0.886
23 2HB ARG 5 1HB ARG 5 13.207 -4.628 -1.928
24 1HG ARG 5 2HG ARG 5 14.881 -5.391 -3.353
25 2HG ARG 5 1HG ARG 5 15.843 -3.937 -3.188
26 1HD ARG 5 2HD ARG 5 16.966 -5.915 -2.153
27 2HD ARG 5 1HD ARG 5 16.636 -4.660 -0.966
28 HE ARG 5 HE ARG 5 15.228 -6.174 0.124
29 1HH1 ARG 5 1HH2 ARG 5 13.014 -6.641 -1.398
30 2HH1 ARG 5 2HH2 ARG 5 13.169 -8.231 -2.068
31 1HH2 ARG 5 2HH1 ARG 5 16.616 -8.337 -1.476
32 2HH2 ARG 5 1HH1 ARG 5 15.276 -9.223 -2.128
33 H GLY 6 H GLY 6 13.720 -1.092 -4.548
34 1HA GLY 6 2HA GLY 6 13.379 -2.544 -6.855
35 2HA GLY 6 1HA GLY 6 11.734 -2.385 -6.232
36 H SER 7 H SER 7 13.262 0.255 -5.102
37 HA SER 7 HA SER 7 12.961 1.914 -7.555
38 1HB SER 7 2HB SER 7 11.628 3.599 -6.206
39 2HB SER 7 1HB SER 7 10.773 2.056 -6.337
40 HG SER 7 HG SER 7 11.968 3.246 -4.169
41 H ARG 8 H ARG 8 14.396 3.531 -7.686
42 HA ARG 8 HA ARG 8 16.685 3.595 -5.953
43 1HB ARG 8 2HB ARG 8 17.467 5.342 -7.514
44 2HB ARG 8 1HB ARG 8 16.792 3.999 -8.393
45 1HG ARG 8 2HG ARG 8 14.780 6.117 -7.726
46 2HG ARG 8 1HG ARG 8 16.089 6.661 -8.730
47 1HD ARG 8 2HD ARG 8 14.579 5.925 -10.353
48 2HD ARG 8 1HD ARG 8 15.542 4.467 -10.149
49 HE ARG 8 HE ARG 8 13.264 4.650 -8.318
50 1HH1 ARG 8 1HH2 ARG 8 14.822 2.580 -10.340
51 2HH1 ARG 8 2HH2 ARG 8 13.403 1.889 -11.045
52 1HH2 ARG 8 2HH1 ARG 8 11.269 4.288 -9.675
53 2HH2 ARG 8 1HH1 ARG 8 11.349 2.873 -10.671
54 H CYS 9 H CYS 9 17.482 6.029 -5.553
55 HA CYS 9 HA CYS 9 15.448 7.235 -3.797
56 1HB CYS 9 2HB CYS 9 17.196 7.919 -2.346
57 2HB CYS 9 1HB CYS 9 17.483 6.248 -2.729
58 HA HYP 10 HA HYP 10 15.173 8.953 -2.717
59 1HB HYP 10 1HB HYP 10 14.983 11.043 -1.961
60 2HB HYP 10 2HB HYP 10 13.558 11.256 -2.964
61 1HD HYP 10 1HD1 HYP 10 17.125 11.288 -5.103
62 2HD HYP 10 2HD1 HYP 10 15.584 11.210 -5.969
63 HOD HYP 10 HD2 HYP 10 17.002 11.683 -2.835
64 HG HYP 10 HG HYP 10 14.837 12.756 -4.336
65 HA HYP 11 HA HYP 11 12.667 10.065 -1.589
66 1HB HYP 11 1HB HYP 11 10.625 9.497 -0.807
67 2HB HYP 11 2HB HYP 11 11.116 7.824 -0.631
68 1HD HYP 11 1HD1 HYP 11 10.772 9.047 -4.531
69 2HD HYP 11 2HD1 HYP 11 11.272 7.371 -4.272
70 HOD HYP 11 HD2 HYP 11 9.727 10.098 -2.781
71 HG HYP 11 HG HYP 11 9.770 7.272 -2.452
72 H GLN 12 H GLN 12 14.260 9.691 -0.144
73 HA GLN 12 HA GLN 12 16.325 7.923 -0.381
74 1HB GLN 12 2HB GLN 12 15.825 9.852 1.385
75 2HB GLN 12 1HB GLN 12 15.345 8.524 2.422
76 1HG GLN 12 2HG GLN 12 17.587 7.446 2.043
77 2HG GLN 12 1HG GLN 12 18.054 8.815 1.040
78 1HE2 GLN 12 2HE2 GLN 12 18.226 11.096 3.835
79 2HE2 GLN 12 1HE2 GLN 12 17.774 11.041 2.199
80 H CYS 13 H CYS 13 16.598 5.768 -0.243
81 HA CYS 13 HA CYS 13 14.532 3.936 0.084
82 1HB CYS 13 2HB CYS 13 17.183 3.001 1.074
83 2HB CYS 13 1HB CYS 13 16.067 2.315 -0.055
84 H CYS 14 H CYS 14 13.655 2.817 1.605
85 HA CYS 14 HA CYS 14 13.319 3.822 4.205
86 1HB CYS 14 2HB CYS 14 12.764 1.027 3.192
87 2HB CYS 14 1HB CYS 14 12.009 1.769 4.567
88 H MET 15 H MET 15 13.516 2.407 6.171
89 HA MET 15 HA MET 15 16.201 2.112 6.895
90 1HB MET 15 2HB MET 15 14.192 2.376 8.436
91 2HB MET 15 1HB MET 15 13.814 0.688 8.163
92 1HG MET 15 2HG MET 15 15.023 0.791 10.200
93 2HG MET 15 1HG MET 15 16.117 0.111 9.039
94 1HE MET 15 2HE MET 15 18.239 0.600 8.754
95 2HE MET 15 1HE MET 15 18.210 2.116 7.833
96 3HE MET 15 3HE MET 15 19.163 1.967 9.312
97 H GLY 16 H GLY 16 17.646 0.606 6.571
98 1HA GLY 16 2HA GLY 16 18.425 -1.668 6.549
99 2HA GLY 16 1HA GLY 16 16.862 -2.164 5.922
100 H LEU 17 H LEU 17 16.881 0.148 3.987
101 HA LEU 17 HA LEU 17 18.516 -1.177 1.951
102 1HB LEU 17 2HB LEU 17 16.235 0.803 1.815
103 2HB LEU 17 1HB LEU 17 17.266 0.560 0.429
104 HG LEU 17 HG LEU 17 16.610 -2.060 1.281
105 1HD1 LEU 17 1HD1 LEU 17 14.171 -0.257 1.114
106 2HD1 LEU 17 3HD1 LEU 17 14.132 -2.014 1.130
107 3HD1 LEU 17 2HD1 LEU 17 14.702 -1.137 2.546
108 1HD2 LEU 17 3HD2 LEU 17 16.834 -0.791 -1.092
109 2HD2 LEU 17 2HD2 LEU 17 16.035 -2.331 -0.909
110 3HD2 LEU 17 1HD2 LEU 17 15.094 -0.844 -0.977
111 H ARG 18 H ARG 18 19.427 0.116 0.315
112 HA ARG 18 HA ARG 18 20.664 2.703 1.013
113 1HB ARG 18 2HB ARG 18 22.791 1.610 -0.103
114 2HB ARG 18 1HB ARG 18 22.503 1.380 1.608
115 1HG ARG 18 2HG ARG 18 21.658 -0.841 1.232
116 2HG ARG 18 1HG ARG 18 21.454 -0.564 -0.478
117 1HD ARG 18 2HD ARG 18 23.950 -0.409 -0.745
118 2HD ARG 18 1HD ARG 18 24.125 -0.795 0.969
119 HE ARG 18 HE ARG 18 22.470 -2.762 -0.313
120 1HH1 ARG 18 1HH2 ARG 18 25.072 -2.815 1.491
121 2HH1 ARG 18 2HH2 ARG 18 26.049 -3.856 0.512
122 1HH2 ARG 18 2HH1 ARG 18 23.950 -3.554 -2.273
123 2HH2 ARG 18 1HH1 ARG 18 25.404 -4.277 -1.671
124 H CYS 19 H CYS 19 21.213 3.827 -0.782
125 HA CYS 19 HA CYS 19 19.602 3.347 -3.147
126 1HB CYS 19 2HB CYS 19 20.280 5.573 -2.053
127 2HB CYS 19 1HB CYS 19 21.783 5.425 -2.913
128 H GLY 20 H GLY 20 20.253 1.563 -4.343
129 1HA GLY 20 2HA GLY 20 23.025 1.056 -5.047
130 2HA GLY 20 1HA GLY 20 21.607 0.231 -5.703
131 H ARG 21 H ARG 21 23.659 3.000 -5.991
132 HA ARG 21 HA ARG 21 22.366 4.341 -8.110
133 1HB ARG 21 2HB ARG 21 24.607 4.776 -6.509
134 2HB ARG 21 1HB ARG 21 25.331 4.552 -8.088
135 1HG ARG 21 2HG ARG 21 23.883 6.316 -9.034
136 2HG ARG 21 1HG ARG 21 23.050 6.489 -7.498
137 1HD ARG 21 2HD ARG 21 25.224 7.147 -6.421
138 2HD ARG 21 1HD ARG 21 26.005 7.052 -7.997
139 HE ARG 21 HE ARG 21 23.727 8.923 -7.445
140 1HH1 ARG 21 2HH1 ARG 21 24.728 8.600 -10.228
141 2HH1 ARG 21 1HH1 ARG 21 25.870 9.896 -10.375
142 1HH2 ARG 21 1HH2 ARG 21 26.050 10.376 -6.905
143 2HH2 ARG 21 2HH2 ARG 21 26.634 10.936 -8.438
144 H GLY 22 H GLY 22 23.994 1.398 -8.145
145 1HA GLY 22 2HA GLY 22 25.152 1.405 -10.775
146 2HA GLY 22 1HA GLY 22 24.694 -0.036 -9.856
147 H ASN 23 H ASN 23 24.283 0.456 -12.698
148 HA ASN 23 HA ASN 23 21.477 1.043 -13.102
149 1HB ASN 23 2HB ASN 23 21.997 0.353 -15.473
150 2HB ASN 23 1HB ASN 23 23.032 1.626 -14.851
151 1HD2 ASN 23 2HD2 ASN 23 24.613 -2.000 -15.815
152 2HD2 ASN 23 1HD2 ASN 23 22.936 -1.745 -15.860
153 HA PRO 24 HA PRO 24 19.598 0.550 -13.991
154 1HB PRO 24 2HB PRO 24 17.250 -0.452 -12.888
155 2HB PRO 24 1HB PRO 24 17.733 -0.574 -14.571
156 1HG PRO 24 2HG PRO 24 17.687 -2.698 -12.520
157 2HG PRO 24 1HG PRO 24 17.815 -2.862 -14.266
158 1HD PRO 24 2HD PRO 24 19.946 -3.141 -12.342
159 2HD PRO 24 1HD PRO 24 20.098 -3.181 -14.105
160 H GLN 25 H GLN 25 19.291 2.308 -12.719
161 HA GLN 25 HA GLN 25 20.193 2.407 -10.033
162 1HB GLN 25 2HB GLN 25 18.450 4.291 -11.674
163 2HB GLN 25 1HB GLN 25 19.000 4.693 -10.054
164 1HG GLN 25 2HG GLN 25 21.360 4.374 -10.760
165 2HG GLN 25 1HG GLN 25 20.836 3.961 -12.387
166 1HE2 GLN 25 2HE2 GLN 25 19.970 7.336 -13.235
167 2HE2 GLN 25 1HE2 GLN 25 19.565 5.718 -13.557
168 H LYS 26 H LYS 26 19.329 1.452 -8.408
169 HA LYS 26 HA LYS 26 16.565 1.854 -7.594
170 1HB LYS 26 2HB LYS 26 17.376 -0.628 -8.992
171 2HB LYS 26 1HB LYS 26 16.641 -0.958 -7.438
172 1HG LYS 26 2HG LYS 26 14.651 0.180 -7.987
173 2HG LYS 26 1HG LYS 26 15.338 0.972 -9.368
174 1HD LYS 26 2HD LYS 26 15.723 -1.598 -10.173
175 2HD LYS 26 1HD LYS 26 14.353 -1.851 -9.109
176 1HE LYS 26 2HE LYS 26 13.502 -1.433 -11.349
177 2HE LYS 26 1HE LYS 26 13.120 -0.020 -10.381
178 1HZ LYS 26 2HZ LYS 26 15.226 0.972 -11.263
179 2HZ LYS 26 1HZ LYS 26 15.310 -0.336 -12.343
180 3HZ LYS 26 3HZ LYS 26 13.993 0.735 -12.406
181 H CYS 27 H CYS 27 16.161 1.206 -5.363
182 HA CYS 27 HA CYS 27 18.602 1.156 -3.806
183 1HB CYS 27 2HB CYS 27 15.732 0.874 -2.802
184 2HB CYS 27 1HB CYS 27 17.160 1.119 -1.878
185 H ILE 28 H ILE 28 19.217 -0.512 -2.448
186 HA ILE 28 HA ILE 28 17.908 -3.168 -2.743
187 HB ILE 28 HB ILE 28 20.144 -4.185 -2.941
188 1HG1 ILE 28 2HG1 ILE 28 21.271 -2.227 -1.661
189 2HG1 ILE 28 1HG1 ILE 28 22.132 -3.028 -2.914
190 1HG2 ILE 28 1HG2 ILE 28 19.623 -2.076 -5.080
191 2HG2 ILE 28 3HG2 ILE 28 20.773 -3.392 -5.239
192 3HG2 ILE 28 2HG2 ILE 28 19.064 -3.736 -5.060
193 1HD1 ILE 28 2HD1 ILE 28 20.660 -0.637 -3.828
194 2HD1 ILE 28 1HD1 ILE 28 22.004 -0.368 -2.734
195 3HD1 ILE 28 3HD1 ILE 28 22.260 -1.237 -4.237
196 H GLY 29 H GLY 29 19.402 -4.551 -1.003
197 1HA GLY 29 2HA GLY 29 18.974 -3.058 1.495
198 2HA GLY 29 1HA GLY 29 19.032 -4.773 1.385
199 H ALA 30 H ALA 30 20.471 -2.587 2.894
200 HA ALA 30 HA ALA 30 23.302 -2.779 2.208
201 1HB ALA 30 3HB ALA 30 22.335 -0.726 3.287
202 2HB ALA 30 2HB ALA 30 21.921 -1.683 4.698
203 3HB ALA 30 1HB ALA 30 23.608 -1.426 4.274
204 H HIS 31 H HIS 31 21.093 -3.979 4.585
205 HA HIS 31 HA HIS 31 23.095 -5.774 5.829
206 1HB HIS 31 2HB HIS 31 21.164 -4.403 7.036
207 2HB HIS 31 1HB HIS 31 20.124 -5.718 6.511
208 HD1 HIS 31 HD1 HIS 31 23.169 -5.171 8.609
209 HD2 HIS 31 HD2 HIS 31 20.374 -8.078 7.982
210 HE1 HIS 31 HE1 HIS 31 23.558 -6.890 10.335
211 1HN CGU 32 HN CGU 32 22.736 -6.187 3.214
212 HA CGU 32 HA CGU 32 21.730 -8.943 3.044
213 1HB CGU 32 1HB CGU 32 20.691 -6.548 1.475
214 2HB CGU 32 2HB CGU 32 19.755 -7.791 2.257
215 HG CGU 32 HG CGU 32 21.507 -8.424 -0.145
216 H ASP 33 H ASP 33 23.818 -9.528 2.905
217 HA ASP 33 HA ASP 33 25.517 -8.412 0.724
218 1HB ASP 33 2HB ASP 33 26.276 -8.566 3.243
219 2HB ASP 33 1HB ASP 33 26.439 -10.287 2.957
220 H VAL 34 H VAL 34 23.327 -10.128 0.297
221 HA VAL 34 HA VAL 34 24.689 -12.359 -1.117
222 HB VAL 34 HB VAL 34 21.977 -12.936 0.118
223 1HG1 VAL 34 1HG1 VAL 34 24.468 -14.607 -0.406
224 2HG1 VAL 34 3HG1 VAL 34 22.934 -15.233 0.177
225 3HG1 VAL 34 2HG1 VAL 34 23.045 -14.546 -1.433
226 1HG2 VAL 34 3HG2 VAL 34 24.593 -13.045 1.688
227 2HG2 VAL 34 2HG2 VAL 34 23.177 -12.091 2.094
228 3HG2 VAL 34 1HG2 VAL 34 23.110 -13.838 2.185
No H/Q in entry = 228
Start of MODEL 18
1 1H ALA 1 1H ALA 1 7.950 9.967 1.053
2 2H ALA 1 3H ALA 1 6.785 10.134 2.279
3 3H ALA 1 2H ALA 1 8.437 10.091 2.677
4 HA ALA 1 HA ALA 1 7.710 7.971 3.198
5 1HB ALA 1 1HB ALA 1 6.228 8.040 0.527
6 2HB ALA 1 3HB ALA 1 6.268 6.656 1.609
7 3HB ALA 1 2HB ALA 1 5.487 8.146 2.116
8 H CYS 2 H CYS 2 9.544 6.923 3.084
9 HA CYS 2 HA CYS 2 11.583 7.114 1.196
10 1HB CYS 2 2HB CYS 2 12.398 4.974 2.269
11 2HB CYS 2 1HB CYS 2 12.080 6.259 3.382
12 H SER 3 H SER 3 12.604 5.101 0.181
13 HA SER 3 HA SER 3 10.699 3.983 -1.816
14 1HB SER 3 2HB SER 3 13.419 4.985 -1.978
15 2HB SER 3 1HB SER 3 13.409 3.315 -2.519
16 HG SER 3 HG SER 3 11.884 3.746 -3.952
17 H GLY 4 H GLY 4 11.277 1.753 -2.600
18 1HA GLY 4 2HA GLY 4 11.902 -0.063 -0.294
19 2HA GLY 4 1HA GLY 4 10.644 -0.397 -1.484
20 H ARG 5 H ARG 5 12.564 -2.269 -1.117
21 HA ARG 5 HA ARG 5 14.832 -2.003 -2.860
22 1HB ARG 5 2HB ARG 5 14.519 -3.682 -0.940
23 2HB ARG 5 1HB ARG 5 13.466 -4.600 -1.988
24 1HG ARG 5 2HG ARG 5 15.955 -3.955 -3.399
25 2HG ARG 5 1HG ARG 5 16.331 -4.664 -1.844
26 1HD ARG 5 2HD ARG 5 14.368 -5.918 -3.814
27 2HD ARG 5 1HD ARG 5 16.082 -6.320 -3.761
28 HE ARG 5 HE ARG 5 15.140 -6.622 -1.131
29 1HH1 ARG 5 1HH2 ARG 5 12.870 -7.486 -3.114
30 2HH1 ARG 5 2HH2 ARG 5 13.089 -9.206 -3.085
31 1HH2 ARG 5 2HH1 ARG 5 16.245 -8.931 -1.576
32 2HH2 ARG 5 1HH1 ARG 5 15.073 -10.060 -2.175
33 H GLY 6 H GLY 6 14.008 -1.166 -4.699
34 1HA GLY 6 2HA GLY 6 13.696 -2.606 -6.977
35 2HA GLY 6 1HA GLY 6 12.038 -2.560 -6.375
36 H SER 7 H SER 7 13.245 0.169 -5.195
37 HA SER 7 HA SER 7 12.934 1.847 -7.634
38 1HB SER 7 2HB SER 7 11.544 3.447 -6.098
39 2HB SER 7 1HB SER 7 10.713 1.971 -6.594
40 HG SER 7 HG SER 7 12.126 1.374 -4.434
41 H ARG 8 H ARG 8 14.366 3.441 -7.695
42 HA ARG 8 HA ARG 8 16.619 3.508 -5.947
43 1HB ARG 8 2HB ARG 8 17.495 5.082 -7.442
44 2HB ARG 8 1HB ARG 8 16.439 4.088 -8.410
45 1HG ARG 8 2HG ARG 8 15.125 5.776 -9.013
46 2HG ARG 8 1HG ARG 8 14.892 6.338 -7.385
47 1HD ARG 8 2HD ARG 8 16.046 8.165 -8.198
48 2HD ARG 8 1HD ARG 8 17.456 7.204 -7.773
49 HE ARG 8 HE ARG 8 17.308 6.356 -10.215
50 1HH1 ARG 8 1HH2 ARG 8 15.268 7.664 -11.504
51 2HH1 ARG 8 2HH2 ARG 8 15.876 9.217 -11.973
52 1HH2 ARG 8 2HH1 ARG 8 18.555 9.067 -9.719
53 2HH2 ARG 8 1HH1 ARG 8 17.787 10.036 -10.934
54 H CYS 9 H CYS 9 17.155 6.231 -5.983
55 HA CYS 9 HA CYS 9 15.385 7.355 -3.939
56 1HB CYS 9 2HB CYS 9 17.145 7.829 -2.429
57 2HB CYS 9 1HB CYS 9 17.353 6.174 -2.914
58 HA HYP 10 HA HYP 10 15.192 9.035 -2.818
59 1HB HYP 10 1HB HYP 10 14.907 11.096 -2.046
60 2HB HYP 10 2HB HYP 10 13.488 11.259 -3.054
61 1HD HYP 10 1HD1 HYP 10 17.154 11.423 -5.053
62 2HD HYP 10 2HD1 HYP 10 15.694 11.309 -6.048
63 HOD HYP 10 HD2 HYP 10 16.876 11.904 -2.838
64 HG HYP 10 HG HYP 10 14.724 12.787 -4.473
65 HA HYP 11 HA HYP 11 12.609 9.913 -1.710
66 1HB HYP 11 1HB HYP 11 10.594 9.125 -1.119
67 2HB HYP 11 2HB HYP 11 11.357 7.597 -0.712
68 1HD HYP 11 1HD1 HYP 11 10.710 8.903 -4.492
69 2HD HYP 11 2HD1 HYP 11 11.499 7.323 -4.654
70 HOD HYP 11 HD2 HYP 11 8.945 8.066 -1.832
71 HG HYP 11 HG HYP 11 10.548 6.549 -2.638
72 H GLN 12 H GLN 12 13.943 9.517 0.053
73 HA GLN 12 HA GLN 12 16.279 8.016 -0.281
74 1HB GLN 12 2HB GLN 12 16.508 8.202 2.251
75 2HB GLN 12 1HB GLN 12 16.133 9.715 1.464
76 1HG GLN 12 2HG GLN 12 13.574 8.607 2.077
77 2HG GLN 12 1HG GLN 12 14.564 8.226 3.473
78 1HE2 GLN 12 2HE2 GLN 12 14.810 11.581 4.556
79 2HE2 GLN 12 1HE2 GLN 12 15.378 9.993 4.755
80 H CYS 13 H CYS 13 16.705 5.795 -0.126
81 HA CYS 13 HA CYS 13 14.553 3.958 -0.005
82 1HB CYS 13 2HB CYS 13 17.234 3.063 0.944
83 2HB CYS 13 1HB CYS 13 16.108 2.303 -0.130
84 H CYS 14 H CYS 14 13.589 2.887 1.576
85 HA CYS 14 HA CYS 14 13.404 3.894 4.177
86 1HB CYS 14 2HB CYS 14 12.755 1.117 3.173
87 2HB CYS 14 1HB CYS 14 12.181 1.779 4.672
88 H MET 15 H MET 15 13.662 2.546 6.163
89 HA MET 15 HA MET 15 16.339 2.244 6.855
90 1HB MET 15 2HB MET 15 14.311 2.477 8.382
91 2HB MET 15 1HB MET 15 14.008 0.768 8.156
92 1HG MET 15 2HG MET 15 15.462 0.326 9.815
93 2HG MET 15 1HG MET 15 16.760 0.991 8.873
94 1HE MET 15 2HE MET 15 13.767 2.118 11.173
95 2HE MET 15 1HE MET 15 14.885 1.055 12.061
96 3HE MET 15 3HE MET 15 14.721 2.743 12.506
97 H GLY 16 H GLY 16 17.808 0.725 6.646
98 1HA GLY 16 2HA GLY 16 18.659 -1.497 6.601
99 2HA GLY 16 1HA GLY 16 17.091 -2.064 6.054
100 H LEU 17 H LEU 17 16.974 0.173 4.050
101 HA LEU 17 HA LEU 17 18.468 -1.193 1.962
102 1HB LEU 17 2HB LEU 17 16.556 1.160 1.783
103 2HB LEU 17 1HB LEU 17 17.250 0.354 0.402
104 HG LEU 17 HG LEU 17 15.183 -0.697 2.347
105 1HD1 LEU 17 3HD1 LEU 17 14.428 0.761 0.517
106 2HD1 LEU 17 2HD1 LEU 17 15.115 -0.365 -0.647
107 3HD1 LEU 17 1HD1 LEU 17 13.789 -0.870 0.396
108 1HD2 LEU 17 1HD2 LEU 17 16.819 -2.579 1.781
109 2HD2 LEU 17 3HD2 LEU 17 15.196 -2.845 1.184
110 3HD2 LEU 17 2HD2 LEU 17 16.442 -2.302 0.080
111 H ARG 18 H ARG 18 19.390 0.063 0.260
112 HA ARG 18 HA ARG 18 20.781 2.570 0.924
113 1HB ARG 18 2HB ARG 18 22.828 1.267 -0.245
114 2HB ARG 18 1HB ARG 18 22.577 1.229 1.484
115 1HG ARG 18 2HG ARG 18 21.555 -0.939 1.342
116 2HG ARG 18 1HG ARG 18 21.347 -0.815 -0.381
117 1HD ARG 18 2HD ARG 18 24.084 -0.926 0.961
118 2HD ARG 18 1HD ARG 18 23.267 -2.328 0.268
119 HE ARG 18 HE ARG 18 23.202 -0.623 -1.826
120 1HH1 ARG 18 2HH1 ARG 18 25.233 1.063 -1.651
121 2HH1 ARG 18 1HH1 ARG 18 26.719 0.201 -1.871
122 1HH2 ARG 18 1HH2 ARG 18 25.238 -2.908 -1.209
123 2HH2 ARG 18 2HH2 ARG 18 26.721 -2.111 -1.619
124 H CYS 19 H CYS 19 21.218 3.692 -0.862
125 HA CYS 19 HA CYS 19 19.602 3.171 -3.230
126 1HB CYS 19 2HB CYS 19 20.149 5.413 -2.127
127 2HB CYS 19 1HB CYS 19 21.684 5.349 -2.939
128 H GLY 20 H GLY 20 20.316 1.447 -4.449
129 1HA GLY 20 2HA GLY 20 23.127 1.072 -5.147
130 2HA GLY 20 1HA GLY 20 21.759 0.146 -5.760
131 H ARG 21 H ARG 21 24.043 2.411 -6.622
132 HA ARG 21 HA ARG 21 22.571 3.969 -8.489
133 1HB ARG 21 2HB ARG 21 24.935 4.409 -7.539
134 2HB ARG 21 1HB ARG 21 25.522 3.280 -8.749
135 1HG ARG 21 2HG ARG 21 24.458 4.679 -10.541
136 2HG ARG 21 1HG ARG 21 23.901 5.806 -9.317
137 1HD ARG 21 2HD ARG 21 26.296 6.215 -8.658
138 2HD ARG 21 1HD ARG 21 26.809 5.154 -9.969
139 HE ARG 21 HE ARG 21 25.544 7.822 -10.279
140 1HH1 ARG 21 1HH2 ARG 21 24.509 6.006 -12.385
141 2HH1 ARG 21 2HH2 ARG 21 25.688 6.178 -13.638
142 1HH2 ARG 21 2HH1 ARG 21 28.077 7.592 -11.511
143 2HH2 ARG 21 1HH1 ARG 21 27.752 7.092 -13.138
144 H GLY 22 H GLY 22 22.262 3.755 -10.639
145 1HA GLY 22 2HA GLY 22 23.342 1.765 -12.377
146 2HA GLY 22 1HA GLY 22 21.766 1.224 -11.777
147 H ASN 23 H ASN 23 20.862 1.429 -13.870
148 HA ASN 23 HA ASN 23 19.815 4.081 -14.430
149 1HB ASN 23 2HB ASN 23 22.234 3.401 -15.740
150 2HB ASN 23 1HB ASN 23 21.017 3.085 -16.959
151 1HD2 ASN 23 2HD2 ASN 23 21.283 6.925 -15.489
152 2HD2 ASN 23 1HD2 ASN 23 21.594 5.613 -14.453
153 HA PRO 24 HA PRO 24 17.913 4.409 -14.019
154 1HB PRO 24 2HB PRO 24 15.565 3.417 -12.915
155 2HB PRO 24 1HB PRO 24 15.694 4.536 -14.261
156 1HG PRO 24 2HG PRO 24 14.950 1.683 -14.324
157 2HG PRO 24 1HG PRO 24 14.748 2.899 -15.578
158 1HD PRO 24 2HD PRO 24 16.739 0.814 -15.490
159 2HD PRO 24 1HD PRO 24 16.621 2.117 -16.686
160 H GLN 25 H GLN 25 18.583 4.633 -11.966
161 HA GLN 25 HA GLN 25 19.900 2.602 -10.514
162 1HB GLN 25 2HB GLN 25 18.576 5.057 -9.308
163 2HB GLN 25 1HB GLN 25 19.923 4.178 -8.618
164 1HG GLN 25 2HG GLN 25 21.465 5.207 -9.998
165 2HG GLN 25 1HG GLN 25 20.389 5.214 -11.384
166 1HE2 GLN 25 2HE2 GLN 25 20.030 8.658 -10.930
167 2HE2 GLN 25 1HE2 GLN 25 20.486 7.378 -11.951
168 H LYS 26 H LYS 26 19.285 1.831 -8.268
169 HA LYS 26 HA LYS 26 16.460 1.636 -7.599
170 1HB LYS 26 2HB LYS 26 17.752 -0.463 -9.228
171 2HB LYS 26 1HB LYS 26 17.090 -1.123 -7.748
172 1HG LYS 26 2HG LYS 26 14.920 -0.173 -8.213
173 2HG LYS 26 1HG LYS 26 15.494 0.643 -9.641
174 1HD LYS 26 2HD LYS 26 15.969 -2.325 -9.543
175 2HD LYS 26 1HD LYS 26 14.308 -1.810 -9.726
176 1HE LYS 26 2HE LYS 26 15.107 -1.983 -11.972
177 2HE LYS 26 1HE LYS 26 15.176 -0.260 -11.649
178 1HZ LYS 26 3HZ LYS 26 17.564 -1.589 -10.841
179 2HZ LYS 26 2HZ LYS 26 17.227 -1.841 -12.486
180 3HZ LYS 26 1HZ LYS 26 17.355 -0.262 -11.880
181 H CYS 27 H CYS 27 16.177 1.239 -5.385
182 HA CYS 27 HA CYS 27 18.582 1.031 -3.812
183 1HB CYS 27 2HB CYS 27 15.731 0.729 -2.745
184 2HB CYS 27 1HB CYS 27 17.186 1.049 -1.896
185 H ILE 28 H ILE 28 19.176 -0.633 -2.480
186 HA ILE 28 HA ILE 28 17.857 -3.286 -2.744
187 HB ILE 28 HB ILE 28 20.140 -4.300 -2.833
188 1HG1 ILE 28 2HG1 ILE 28 21.216 -2.179 -1.781
189 2HG1 ILE 28 1HG1 ILE 28 22.106 -3.090 -2.933
190 1HG2 ILE 28 2HG2 ILE 28 19.447 -2.458 -5.149
191 2HG2 ILE 28 1HG2 ILE 28 20.724 -3.665 -5.212
192 3HG2 ILE 28 3HG2 ILE 28 19.063 -4.158 -4.957
193 1HD1 ILE 28 1HD1 ILE 28 20.538 -0.887 -4.127
194 2HD1 ILE 28 3HD1 ILE 28 21.844 -0.418 -3.058
195 3HD1 ILE 28 2HD1 ILE 28 22.173 -1.446 -4.443
196 H GLY 29 H GLY 29 19.493 -4.589 -0.962
197 1HA GLY 29 2HA GLY 29 19.095 -2.994 1.490
198 2HA GLY 29 1HA GLY 29 19.028 -4.723 1.431
199 H ALA 30 H ALA 30 20.611 -2.734 2.957
200 HA ALA 30 HA ALA 30 23.425 -3.195 2.194
201 1HB ALA 30 3HB ALA 30 22.163 -1.078 3.435
202 2HB ALA 30 2HB ALA 30 22.791 -1.940 4.825
203 3HB ALA 30 1HB ALA 30 23.884 -1.398 3.565
204 H HIS 31 H HIS 31 21.207 -3.814 4.808
205 HA HIS 31 HA HIS 31 22.963 -5.874 6.043
206 1HB HIS 31 2HB HIS 31 21.504 -3.940 7.248
207 2HB HIS 31 1HB HIS 31 20.229 -5.143 7.135
208 HD1 HIS 31 HD1 HIS 31 21.085 -7.568 8.158
209 HD2 HIS 31 HD2 HIS 31 23.136 -4.277 9.432
210 HE1 HIS 31 HE1 HIS 31 22.271 -8.242 10.216
211 1HN CGU 32 HN CGU 32 22.083 -6.399 3.546
212 HA CGU 32 HA CGU 32 19.969 -8.474 3.745
213 1HB CGU 32 1HB CGU 32 21.065 -7.182 1.237
214 2HB CGU 32 2HB CGU 32 19.942 -6.302 2.232
215 HG CGU 32 HG CGU 32 19.255 -9.080 1.284
216 H ASP 33 H ASP 33 21.173 -9.087 1.111
217 HA ASP 33 HA ASP 33 23.669 -10.528 1.799
218 1HB ASP 33 2HB ASP 33 21.396 -11.957 2.046
219 2HB ASP 33 1HB ASP 33 21.453 -12.002 0.297
220 H VAL 34 H VAL 34 23.065 -8.216 0.407
221 HA VAL 34 HA VAL 34 24.049 -8.869 -2.327
222 HB VAL 34 HB VAL 34 21.911 -6.789 -1.645
223 1HG1 VAL 34 2HG1 VAL 34 23.191 -7.604 -4.282
224 2HG1 VAL 34 1HG1 VAL 34 21.728 -6.638 -4.172
225 3HG1 VAL 34 3HG1 VAL 34 23.235 -6.017 -3.530
226 1HG2 VAL 34 2HG2 VAL 34 21.696 -9.480 -3.069
227 2HG2 VAL 34 1HG2 VAL 34 20.944 -9.051 -1.541
228 3HG2 VAL 34 3HG2 VAL 34 20.410 -8.283 -3.023
No H/Q in entry = 228
Start of MODEL 19
1 1H ALA 1 3H ALA 1 9.203 10.420 3.295
2 2H ALA 1 2H ALA 1 8.860 10.904 1.703
3 3H ALA 1 1H ALA 1 7.598 10.723 2.825
4 HA ALA 1 HA ALA 1 8.027 8.361 2.966
5 1HB ALA 1 1HB ALA 1 6.414 9.235 1.256
6 2HB ALA 1 3HB ALA 1 7.725 9.337 0.090
7 3HB ALA 1 2HB ALA 1 7.208 7.772 0.701
8 H CYS 2 H CYS 2 9.110 6.524 2.076
9 HA CYS 2 HA CYS 2 11.823 7.099 0.992
10 1HB CYS 2 2HB CYS 2 12.472 5.020 2.166
11 2HB CYS 2 1HB CYS 2 11.988 6.234 3.292
12 H SER 3 H SER 3 12.715 4.938 0.092
13 HA SER 3 HA SER 3 10.721 3.866 -1.877
14 1HB SER 3 2HB SER 3 13.574 4.735 -2.107
15 2HB SER 3 1HB SER 3 13.172 3.271 -2.996
16 HG SER 3 HG SER 3 11.704 4.324 -4.139
17 H GLY 4 H GLY 4 10.778 1.675 -2.365
18 1HA GLY 4 2HA GLY 4 11.736 -0.069 -0.143
19 2HA GLY 4 1HA GLY 4 10.525 -0.499 -1.347
20 H ARG 5 H ARG 5 12.506 -2.328 -0.944
21 HA ARG 5 HA ARG 5 14.845 -1.960 -2.569
22 1HB ARG 5 2HB ARG 5 14.514 -3.783 -0.818
23 2HB ARG 5 1HB ARG 5 13.458 -4.605 -1.943
24 1HG ARG 5 2HG ARG 5 15.901 -3.866 -3.352
25 2HG ARG 5 1HG ARG 5 16.361 -4.588 -1.827
26 1HD ARG 5 2HD ARG 5 14.225 -6.002 -3.406
27 2HD ARG 5 1HD ARG 5 15.868 -6.058 -4.041
28 HE ARG 5 HE ARG 5 16.238 -6.673 -1.398
29 1HH1 ARG 5 1HH2 ARG 5 13.375 -7.622 -1.555
30 2HH1 ARG 5 2HH2 ARG 5 13.586 -9.297 -1.939
31 1HH2 ARG 5 2HH1 ARG 5 16.930 -8.853 -2.907
32 2HH2 ARG 5 1HH1 ARG 5 15.659 -10.013 -2.727
33 H GLY 6 H GLY 6 14.791 -1.557 -4.636
34 1HA GLY 6 2HA GLY 6 14.498 -2.513 -6.897
35 2HA GLY 6 1HA GLY 6 12.856 -2.966 -6.449
36 H SER 7 H SER 7 13.048 -0.191 -4.931
37 HA SER 7 HA SER 7 11.926 1.410 -7.161
38 1HB SER 7 2HB SER 7 10.621 1.139 -4.987
39 2HB SER 7 1HB SER 7 11.934 1.983 -4.150
40 HG SER 7 HG SER 7 10.366 2.952 -6.302
41 H ARG 8 H ARG 8 12.758 3.595 -7.388
42 HA ARG 8 HA ARG 8 15.629 3.739 -7.260
43 1HB ARG 8 2HB ARG 8 15.369 5.760 -8.500
44 2HB ARG 8 1HB ARG 8 14.066 4.732 -9.037
45 1HG ARG 8 2HG ARG 8 13.824 6.991 -6.979
46 2HG ARG 8 1HG ARG 8 13.286 7.026 -8.637
47 1HD ARG 8 2HD ARG 8 12.131 5.290 -6.429
48 2HD ARG 8 1HD ARG 8 11.358 6.641 -7.238
49 HE ARG 8 HE ARG 8 12.207 4.289 -8.858
50 1HH1 ARG 8 1HH2 ARG 8 10.713 6.048 -10.416
51 2HH1 ARG 8 2HH2 ARG 8 9.051 5.621 -10.184
52 1HH2 ARG 8 2HH1 ARG 8 9.800 3.856 -7.233
53 2HH2 ARG 8 1HH1 ARG 8 8.493 4.293 -8.293
54 H CYS 9 H CYS 9 16.230 6.272 -6.727
55 HA CYS 9 HA CYS 9 15.325 7.064 -4.110
56 1HB CYS 9 2HB CYS 9 17.877 6.871 -3.322
57 2HB CYS 9 1HB CYS 9 16.724 5.590 -3.115
58 HA HYP 10 HA HYP 10 15.400 8.666 -2.902
59 1HB HYP 10 1HB HYP 10 15.584 10.703 -2.004
60 2HB HYP 10 2HB HYP 10 14.195 11.201 -2.950
61 1HD HYP 10 1HD1 HYP 10 17.879 10.764 -4.836
62 2HD HYP 10 2HD1 HYP 10 16.525 11.010 -5.946
63 HOD HYP 10 HD2 HYP 10 17.237 13.056 -3.129
64 HG HYP 10 HG HYP 10 15.645 12.499 -4.376
65 HA HYP 11 HA HYP 11 12.844 10.041 -1.847
66 1HB HYP 11 1HB HYP 11 10.734 9.455 -1.282
67 2HB HYP 11 2HB HYP 11 11.253 7.802 -0.999
68 1HD HYP 11 1HD1 HYP 11 11.122 9.093 -4.904
69 2HD HYP 11 2HD1 HYP 11 11.685 7.427 -4.718
70 HOD HYP 11 HD2 HYP 11 8.911 9.034 -2.428
71 HG HYP 11 HG HYP 11 10.156 7.128 -2.946
72 H GLN 12 H GLN 12 14.343 9.668 -0.355
73 HA GLN 12 HA GLN 12 16.429 7.917 -0.473
74 1HB GLN 12 2HB GLN 12 16.034 9.831 1.195
75 2HB GLN 12 1HB GLN 12 15.157 8.684 2.187
76 1HG GLN 12 2HG GLN 12 17.336 7.194 1.984
77 2HG GLN 12 1HG GLN 12 18.108 8.674 1.437
78 1HE2 GLN 12 2HE2 GLN 12 18.033 10.205 4.651
79 2HE2 GLN 12 1HE2 GLN 12 18.203 10.492 2.988
80 H CYS 13 H CYS 13 16.724 5.762 -0.283
81 HA CYS 13 HA CYS 13 14.613 3.940 -0.029
82 1HB CYS 13 2HB CYS 13 17.298 3.113 0.982
83 2HB CYS 13 1HB CYS 13 16.178 2.296 -0.061
84 H CYS 14 H CYS 14 13.719 2.826 1.533
85 HA CYS 14 HA CYS 14 13.395 3.916 4.104
86 1HB CYS 14 2HB CYS 14 12.812 1.087 3.200
87 2HB CYS 14 1HB CYS 14 12.075 1.895 4.547
88 H MET 15 H MET 15 13.569 2.535 6.116
89 HA MET 15 HA MET 15 16.234 2.298 6.909
90 1HB MET 15 2HB MET 15 14.081 2.520 8.328
91 2HB MET 15 1HB MET 15 13.912 0.786 8.171
92 1HG MET 15 2HG MET 15 16.387 2.130 9.290
93 2HG MET 15 1HG MET 15 15.046 1.646 10.277
94 1HE MET 15 3HE MET 15 18.197 0.824 8.534
95 2HE MET 15 2HE MET 15 18.423 0.722 10.295
96 3HE MET 15 1HE MET 15 18.640 -0.698 9.272
97 H GLY 16 H GLY 16 17.731 0.824 6.625
98 1HA GLY 16 2HA GLY 16 18.589 -1.414 6.664
99 2HA GLY 16 1HA GLY 16 17.024 -1.992 6.120
100 H LEU 17 H LEU 17 16.970 0.255 4.074
101 HA LEU 17 HA LEU 17 18.453 -1.194 2.028
102 1HB LEU 17 2HB LEU 17 16.563 1.175 1.821
103 2HB LEU 17 1HB LEU 17 17.258 0.386 0.433
104 HG LEU 17 HG LEU 17 15.160 -0.646 2.347
105 1HD1 LEU 17 3HD1 LEU 17 14.604 0.834 0.368
106 2HD1 LEU 17 2HD1 LEU 17 15.077 -0.509 -0.657
107 3HD1 LEU 17 1HD1 LEU 17 13.747 -0.691 0.481
108 1HD2 LEU 17 3HD2 LEU 17 16.816 -2.536 1.813
109 2HD2 LEU 17 2HD2 LEU 17 15.171 -2.804 1.283
110 3HD2 LEU 17 1HD2 LEU 17 16.384 -2.318 0.120
111 H ARG 18 H ARG 18 19.470 -0.008 0.346
112 HA ARG 18 HA ARG 18 20.897 2.483 1.032
113 1HB ARG 18 2HB ARG 18 22.874 1.136 -0.234
114 2HB ARG 18 1HB ARG 18 22.714 1.175 1.506
115 1HG ARG 18 2HG ARG 18 21.855 -0.968 1.619
116 2HG ARG 18 1HG ARG 18 21.306 -1.010 -0.033
117 1HD ARG 18 2HD ARG 18 24.261 -0.928 0.726
118 2HD ARG 18 1HD ARG 18 23.385 -2.413 0.355
119 HE ARG 18 HE ARG 18 22.979 -0.503 -1.738
120 1HH1 ARG 18 1HH2 ARG 18 23.967 -3.501 -1.471
121 2HH1 ARG 18 2HH2 ARG 18 25.390 -3.417 -2.456
122 1HH2 ARG 18 2HH1 ARG 18 25.369 0.094 -2.486
123 2HH2 ARG 18 1HH1 ARG 18 26.214 -1.314 -3.037
124 H CYS 19 H CYS 19 21.281 3.630 -0.727
125 HA CYS 19 HA CYS 19 19.685 3.080 -3.099
126 1HB CYS 19 2HB CYS 19 19.905 5.318 -2.107
127 2HB CYS 19 1HB CYS 19 21.593 5.349 -2.532
128 H GLY 20 H GLY 20 20.384 1.577 -4.485
129 1HA GLY 20 2HA GLY 20 23.208 1.287 -5.212
130 2HA GLY 20 1HA GLY 20 21.855 0.352 -5.857
131 H ARG 21 H ARG 21 24.079 2.654 -6.608
132 HA ARG 21 HA ARG 21 22.812 4.533 -8.223
133 1HB ARG 21 2HB ARG 21 25.064 4.469 -9.521
134 2HB ARG 21 1HB ARG 21 25.120 4.878 -7.820
135 1HG ARG 21 2HG ARG 21 25.929 2.717 -7.193
136 2HG ARG 21 1HG ARG 21 25.475 1.993 -8.724
137 1HD ARG 21 2HD ARG 21 27.584 4.183 -8.516
138 2HD ARG 21 1HD ARG 21 27.956 2.462 -8.451
139 HE ARG 21 HE ARG 21 26.466 3.601 -10.778
140 1HH1 ARG 21 2HH1 ARG 21 27.478 0.708 -10.231
141 2HH1 ARG 21 1HH1 ARG 21 28.809 0.635 -11.338
142 1HH2 ARG 21 1HH2 ARG 21 28.836 4.109 -11.824
143 2HH2 ARG 21 2HH2 ARG 21 29.600 2.618 -12.265
144 H GLY 22 H GLY 22 22.449 4.691 -10.438
145 1HA GLY 22 2HA GLY 22 22.846 2.888 -12.495
146 2HA GLY 22 1HA GLY 22 21.383 2.299 -11.701
147 H ASN 23 H ASN 23 20.385 2.794 -13.789
148 HA ASN 23 HA ASN 23 19.129 5.426 -13.742
149 1HB ASN 23 2HB ASN 23 21.292 5.824 -14.998
150 2HB ASN 23 1HB ASN 23 20.760 4.674 -16.213
151 1HD2 ASN 23 2HD2 ASN 23 18.820 8.289 -15.894
152 2HD2 ASN 23 1HD2 ASN 23 19.642 7.662 -14.546
153 HA PRO 24 HA PRO 24 17.202 5.580 -13.262
154 1HB PRO 24 2HB PRO 24 15.014 4.287 -12.180
155 2HB PRO 24 1HB PRO 24 14.964 5.527 -13.423
156 1HG PRO 24 2HG PRO 24 14.546 2.606 -13.715
157 2HG PRO 24 1HG PRO 24 14.032 3.904 -14.785
158 1HD PRO 24 2HD PRO 24 16.243 2.143 -15.220
159 2HD PRO 24 1HD PRO 24 15.885 3.613 -16.143
160 H GLN 25 H GLN 25 17.949 5.563 -11.223
161 HA GLN 25 HA GLN 25 19.538 3.479 -10.177
162 1HB GLN 25 2HB GLN 25 18.118 5.694 -8.630
163 2HB GLN 25 1HB GLN 25 19.461 4.742 -8.021
164 1HG GLN 25 2HG GLN 25 20.884 5.571 -9.900
165 2HG GLN 25 1HG GLN 25 19.559 6.588 -10.450
166 1HE2 GLN 25 2HE2 GLN 25 21.963 8.395 -8.102
167 2HE2 GLN 25 1HE2 GLN 25 22.252 7.357 -9.415
168 H LYS 26 H LYS 26 19.204 2.274 -8.124
169 HA LYS 26 HA LYS 26 16.444 1.687 -7.346
170 1HB LYS 26 2HB LYS 26 18.084 -0.169 -9.051
171 2HB LYS 26 1HB LYS 26 17.149 -0.899 -7.764
172 1HG LYS 26 2HG LYS 26 15.153 0.539 -8.739
173 2HG LYS 26 1HG LYS 26 16.161 0.632 -10.175
174 1HD LYS 26 2HD LYS 26 16.359 -1.914 -10.089
175 2HD LYS 26 1HD LYS 26 15.147 -1.895 -8.827
176 1HE LYS 26 2HE LYS 26 13.786 -2.189 -10.703
177 2HE LYS 26 1HE LYS 26 13.773 -0.435 -10.614
178 1HZ LYS 26 1HZ LYS 26 15.618 -0.394 -12.185
179 2HZ LYS 26 3HZ LYS 26 15.565 -2.090 -12.300
180 3HZ LYS 26 2HZ LYS 26 14.249 -1.161 -12.837
181 H CYS 27 H CYS 27 16.346 1.313 -5.298
182 HA CYS 27 HA CYS 27 18.661 1.023 -3.654
183 1HB CYS 27 2HB CYS 27 15.742 0.712 -2.775
184 2HB CYS 27 1HB CYS 27 17.140 1.002 -1.805
185 H ILE 28 H ILE 28 19.202 -0.637 -2.383
186 HA ILE 28 HA ILE 28 17.951 -3.315 -2.723
187 HB ILE 28 HB ILE 28 20.358 -4.216 -2.667
188 1HG1 ILE 28 2HG1 ILE 28 21.108 -1.756 -1.916
189 2HG1 ILE 28 1HG1 ILE 28 22.176 -2.849 -2.726
190 1HG2 ILE 28 3HG2 ILE 28 19.389 -2.681 -5.099
191 2HG2 ILE 28 2HG2 ILE 28 20.810 -3.714 -5.131
192 3HG2 ILE 28 1HG2 ILE 28 19.238 -4.394 -4.763
193 1HD1 ILE 28 3HD1 ILE 28 20.512 -0.893 -4.294
194 2HD1 ILE 28 2HD1 ILE 28 22.031 -0.425 -3.546
195 3HD1 ILE 28 1HD1 ILE 28 22.007 -1.701 -4.759
196 H GLY 29 H GLY 29 19.635 -4.559 -0.900
197 1HA GLY 29 2HA GLY 29 19.114 -2.977 1.547
198 2HA GLY 29 1HA GLY 29 19.085 -4.702 1.503
199 H ALA 30 H ALA 30 20.549 -2.787 3.135
200 HA ALA 30 HA ALA 30 23.402 -3.059 2.441
201 1HB ALA 30 1HB ALA 30 21.830 -1.794 4.714
202 2HB ALA 30 3HB ALA 30 23.563 -2.034 4.875
203 3HB ALA 30 2HB ALA 30 22.932 -1.011 3.595
204 H HIS 31 H HIS 31 21.116 -4.139 4.827
205 HA HIS 31 HA HIS 31 22.900 -6.313 5.822
206 1HB HIS 31 2HB HIS 31 21.628 -4.792 7.449
207 2HB HIS 31 1HB HIS 31 20.129 -5.418 6.787
208 HD1 HIS 31 HD1 HIS 31 19.287 -7.164 8.327
209 HD2 HIS 31 HD2 HIS 31 23.367 -7.328 8.192
210 HE1 HIS 31 HE1 HIS 31 19.955 -9.031 9.795
211 1HN CGU 32 HN CGU 32 22.369 -6.630 3.328
212 HA CGU 32 HA CGU 32 20.138 -8.567 2.994
213 1HB CGU 32 1HB CGU 32 21.608 -7.002 0.870
214 2HB CGU 32 2HB CGU 32 20.297 -6.296 1.765
215 HG CGU 32 HG CGU 32 19.670 -8.958 0.624
216 H ASP 33 H ASP 33 21.679 -8.896 0.457
217 HA ASP 33 HA ASP 33 24.034 -10.494 1.137
218 1HB ASP 33 2HB ASP 33 21.721 -11.878 1.391
219 2HB ASP 33 1HB ASP 33 21.850 -12.018 -0.348
220 H VAL 34 H VAL 34 24.149 -8.327 -0.178
221 HA VAL 34 HA VAL 34 23.739 -8.584 -3.058
222 HB VAL 34 HB VAL 34 25.244 -6.478 -1.429
223 1HG1 VAL 34 3HG1 VAL 34 24.380 -6.560 -4.360
224 2HG1 VAL 34 2HG1 VAL 34 24.731 -5.059 -3.531
225 3HG1 VAL 34 1HG1 VAL 34 25.990 -6.260 -3.726
226 1HG2 VAL 34 3HG2 VAL 34 22.825 -6.656 -0.850
227 2HG2 VAL 34 2HG2 VAL 34 23.168 -5.150 -1.670
228 3HG2 VAL 34 1HG2 VAL 34 22.407 -6.465 -2.546
No H/Q in entry = 228
Start of MODEL 20
1 1H ALA 1 2H ALA 1 7.059 9.065 0.315
2 2H ALA 1 1H ALA 1 5.662 8.926 1.274
3 3H ALA 1 3H ALA 1 6.952 9.903 1.789
4 HA ALA 1 HA ALA 1 7.545 8.149 3.001
5 1HB ALA 1 1HB ALA 1 6.034 6.430 0.980
6 2HB ALA 1 3HB ALA 1 6.798 5.806 2.434
7 3HB ALA 1 2HB ALA 1 5.449 6.922 2.561
8 H CYS 2 H CYS 2 9.207 6.575 2.940
9 HA CYS 2 HA CYS 2 11.352 7.119 1.163
10 1HB CYS 2 2HB CYS 2 12.314 5.014 2.250
11 2HB CYS 2 1HB CYS 2 11.876 6.266 3.359
12 H SER 3 H SER 3 12.548 5.060 0.230
13 HA SER 3 HA SER 3 10.749 3.897 -1.853
14 1HB SER 3 2HB SER 3 13.697 4.587 -1.766
15 2HB SER 3 1HB SER 3 13.127 3.384 -2.919
16 HG SER 3 HG SER 3 12.980 5.419 -3.762
17 H GLY 4 H GLY 4 10.770 1.695 -2.285
18 1HA GLY 4 2HA GLY 4 11.761 -0.038 -0.061
19 2HA GLY 4 1HA GLY 4 10.478 -0.452 -1.199
20 H ARG 5 H ARG 5 12.363 -2.323 -0.919
21 HA ARG 5 HA ARG 5 14.662 -2.034 -2.577
22 1HB ARG 5 2HB ARG 5 14.023 -3.927 -0.833
23 2HB ARG 5 1HB ARG 5 13.250 -4.713 -2.180
24 1HG ARG 5 2HG ARG 5 15.879 -3.847 -3.048
25 2HG ARG 5 1HG ARG 5 16.076 -4.625 -1.490
26 1HD ARG 5 2HD ARG 5 16.279 -6.267 -3.331
27 2HD ARG 5 1HD ARG 5 14.831 -6.624 -2.386
28 HE ARG 5 HE ARG 5 13.844 -4.955 -4.290
29 1HH1 ARG 5 2HH1 ARG 5 16.270 -5.794 -5.906
30 2HH1 ARG 5 1HH1 ARG 5 15.632 -7.116 -6.827
31 1HH2 ARG 5 1HH2 ARG 5 12.816 -7.454 -4.768
32 2HH2 ARG 5 2HH2 ARG 5 13.625 -8.082 -6.166
33 H GLY 6 H GLY 6 14.378 -1.314 -4.568
34 1HA GLY 6 2HA GLY 6 13.981 -2.442 -6.875
35 2HA GLY 6 1HA GLY 6 12.296 -2.490 -6.362
36 H SER 7 H SER 7 13.164 0.195 -4.934
37 HA SER 7 HA SER 7 12.674 1.971 -7.296
38 1HB SER 7 2HB SER 7 11.810 2.327 -4.374
39 2HB SER 7 1HB SER 7 11.479 3.472 -5.687
40 HG SER 7 HG SER 7 10.778 0.726 -5.669
41 H ARG 8 H ARG 8 14.102 3.609 -7.598
42 HA ARG 8 HA ARG 8 16.588 3.589 -6.108
43 1HB ARG 8 2HB ARG 8 17.191 5.469 -7.671
44 2HB ARG 8 1HB ARG 8 16.639 4.020 -8.464
45 1HG ARG 8 2HG ARG 8 14.423 5.883 -7.846
46 2HG ARG 8 1HG ARG 8 15.636 6.590 -8.879
47 1HD ARG 8 2HD ARG 8 15.481 4.446 -10.320
48 2HD ARG 8 1HD ARG 8 14.000 4.093 -9.430
49 HE ARG 8 HE ARG 8 13.405 6.562 -10.200
50 1HH1 ARG 8 1HH2 ARG 8 15.798 6.474 -12.053
51 2HH1 ARG 8 2HH2 ARG 8 15.063 5.997 -13.548
52 1HH2 ARG 8 2HH1 ARG 8 12.119 4.909 -11.985
53 2HH2 ARG 8 1HH1 ARG 8 12.927 5.086 -13.509
54 H CYS 9 H CYS 9 17.397 6.135 -5.897
55 HA CYS 9 HA CYS 9 15.572 7.307 -3.911
56 1HB CYS 9 2HB CYS 9 17.485 8.030 -2.643
57 2HB CYS 9 1HB CYS 9 17.587 6.322 -2.942
58 HA HYP 10 HA HYP 10 15.188 8.937 -2.872
59 1HB HYP 10 1HB HYP 10 14.821 10.944 -2.013
60 2HB HYP 10 2HB HYP 10 13.450 11.158 -3.076
61 1HD HYP 10 1HD1 HYP 10 17.116 11.426 -5.050
62 2HD HYP 10 2HD1 HYP 10 15.614 11.371 -5.985
63 HOD HYP 10 HD2 HYP 10 16.711 11.658 -2.557
64 HG HYP 10 HG HYP 10 14.770 12.800 -4.280
65 HA HYP 11 HA HYP 11 12.575 9.804 -1.738
66 1HB HYP 11 1HB HYP 11 10.633 8.969 -1.022
67 2HB HYP 11 2HB HYP 11 11.350 7.375 -0.878
68 1HD HYP 11 1HD1 HYP 11 10.711 8.967 -4.573
69 2HD HYP 11 2HD1 HYP 11 11.391 7.339 -4.725
70 HOD HYP 11 HD2 HYP 11 8.893 8.281 -1.869
71 HG HYP 11 HG HYP 11 10.252 6.631 -2.784
72 H GLN 12 H GLN 12 14.013 9.485 -0.122
73 HA GLN 12 HA GLN 12 16.297 7.919 -0.450
74 1HB GLN 12 2HB GLN 12 15.951 9.795 1.249
75 2HB GLN 12 1HB GLN 12 15.044 8.669 2.239
76 1HG GLN 12 2HG GLN 12 17.008 7.231 2.519
77 2HG GLN 12 1HG GLN 12 17.927 8.179 1.354
78 1HE2 GLN 12 2HE2 GLN 12 17.235 9.743 5.093
79 2HE2 GLN 12 1HE2 GLN 12 16.192 8.549 4.487
80 H CYS 13 H CYS 13 16.716 5.742 -0.138
81 HA CYS 13 HA CYS 13 14.586 3.905 0.073
82 1HB CYS 13 2HB CYS 13 17.228 3.015 1.095
83 2HB CYS 13 1HB CYS 13 16.131 2.283 -0.034
84 H CYS 14 H CYS 14 13.633 2.889 1.619
85 HA CYS 14 HA CYS 14 13.308 3.931 4.191
86 1HB CYS 14 2HB CYS 14 12.749 1.118 3.214
87 2HB CYS 14 1HB CYS 14 12.071 1.824 4.649
88 H MET 15 H MET 15 13.483 2.508 6.202
89 HA MET 15 HA MET 15 16.170 2.266 6.946
90 1HB MET 15 2HB MET 15 14.122 2.464 8.479
91 2HB MET 15 1HB MET 15 13.840 0.753 8.220
92 1HG MET 15 2HG MET 15 16.097 0.252 9.116
93 2HG MET 15 1HG MET 15 16.388 1.952 9.359
94 1HE MET 15 2HE MET 15 14.828 3.416 10.729
95 2HE MET 15 1HE MET 15 14.476 2.959 12.376
96 3HE MET 15 3HE MET 15 16.155 2.991 11.832
97 H GLY 16 H GLY 16 17.646 0.791 6.651
98 1HA GLY 16 2HA GLY 16 18.489 -1.451 6.632
99 2HA GLY 16 1HA GLY 16 16.934 -2.000 6.037
100 H LEU 17 H LEU 17 16.935 0.308 4.044
101 HA LEU 17 HA LEU 17 18.548 -1.084 2.035
102 1HB LEU 17 2HB LEU 17 16.277 0.895 1.848
103 2HB LEU 17 1HB LEU 17 17.301 0.592 0.467
104 HG LEU 17 HG LEU 17 16.627 -1.989 1.408
105 1HD1 LEU 17 1HD1 LEU 17 14.710 -0.615 2.566
106 2HD1 LEU 17 3HD1 LEU 17 14.071 -0.458 0.935
107 3HD1 LEU 17 2HD1 LEU 17 14.293 -2.054 1.635
108 1HD2 LEU 17 3HD2 LEU 17 16.850 -0.813 -1.012
109 2HD2 LEU 17 2HD2 LEU 17 16.016 -2.330 -0.764
110 3HD2 LEU 17 1HD2 LEU 17 15.111 -0.824 -0.885
111 H ARG 18 H ARG 18 19.475 0.111 0.367
112 HA ARG 18 HA ARG 18 20.719 2.727 0.930
113 1HB ARG 18 2HB ARG 18 22.836 1.597 -0.126
114 2HB ARG 18 1HB ARG 18 22.548 1.424 1.588
115 1HG ARG 18 2HG ARG 18 21.812 -0.818 1.333
116 2HG ARG 18 1HG ARG 18 21.432 -0.623 -0.357
117 1HD ARG 18 2HD ARG 18 24.284 -0.559 0.712
118 2HD ARG 18 1HD ARG 18 23.523 -1.991 0.023
119 HE ARG 18 HE ARG 18 23.313 0.315 -1.722
120 1HH1 ARG 18 1HH2 ARG 18 26.135 -0.847 -0.550
121 2HH1 ARG 18 2HH2 ARG 18 26.718 -1.542 -2.026
122 1HH2 ARG 18 2HH1 ARG 18 23.669 -1.170 -3.686
123 2HH2 ARG 18 1HH1 ARG 18 25.296 -1.733 -3.825
124 H CYS 19 H CYS 19 21.279 3.748 -0.929
125 HA CYS 19 HA CYS 19 19.677 3.100 -3.276
126 1HB CYS 19 2HB CYS 19 20.186 5.402 -2.290
127 2HB CYS 19 1HB CYS 19 21.724 5.313 -3.097
128 H GLY 20 H GLY 20 20.404 1.355 -4.445
129 1HA GLY 20 2HA GLY 20 23.219 0.964 -5.129
130 2HA GLY 20 1HA GLY 20 21.841 0.061 -5.789
131 H ARG 21 H ARG 21 24.019 2.620 -6.373
132 HA ARG 21 HA ARG 21 22.439 4.071 -8.250
133 1HB ARG 21 2HB ARG 21 24.678 4.668 -6.920
134 2HB ARG 21 1HB ARG 21 25.453 4.128 -8.391
135 1HG ARG 21 2HG ARG 21 23.249 5.809 -9.190
136 2HG ARG 21 1HG ARG 21 24.024 6.625 -7.852
137 1HD ARG 21 2HD ARG 21 25.230 7.422 -9.701
138 2HD ARG 21 1HD ARG 21 26.250 6.072 -9.217
139 HE ARG 21 HE ARG 21 24.148 5.371 -11.153
140 1HH1 ARG 21 1HH2 ARG 21 26.283 3.666 -11.364
141 2HH1 ARG 21 2HH2 ARG 21 27.363 4.340 -12.543
142 1HH2 ARG 21 2HH1 ARG 21 25.914 7.532 -12.291
143 2HH2 ARG 21 1HH1 ARG 21 27.142 6.605 -13.087
144 H GLY 22 H GLY 22 21.602 2.856 -9.772
145 1HA GLY 22 2HA GLY 22 23.381 1.491 -11.770
146 2HA GLY 22 1HA GLY 22 21.749 0.944 -11.375
147 H ASN 23 H ASN 23 21.067 1.195 -13.541
148 HA ASN 23 HA ASN 23 20.129 3.876 -14.190
149 1HB ASN 23 2HB ASN 23 22.566 3.712 -15.068
150 2HB ASN 23 1HB ASN 23 21.962 2.571 -16.255
151 1HD2 ASN 23 2HD2 ASN 23 20.904 6.527 -16.495
152 2HD2 ASN 23 1HD2 ASN 23 21.524 5.897 -15.044
153 HA PRO 24 HA PRO 24 18.116 4.231 -14.025
154 1HB PRO 24 2HB PRO 24 15.788 3.047 -13.014
155 2HB PRO 24 1HB PRO 24 15.891 4.234 -14.304
156 1HG PRO 24 2HG PRO 24 15.346 1.346 -14.524
157 2HG PRO 24 1HG PRO 24 15.094 2.606 -15.722
158 1HD PRO 24 2HD PRO 24 17.191 0.659 -15.728
159 2HD PRO 24 1HD PRO 24 17.080 2.074 -16.788
160 H GLN 25 H GLN 25 18.566 4.501 -11.927
161 HA GLN 25 HA GLN 25 19.981 2.530 -10.454
162 1HB GLN 25 2HB GLN 25 18.541 4.972 -9.341
163 2HB GLN 25 1HB GLN 25 19.862 4.129 -8.553
164 1HG GLN 25 2HG GLN 25 21.468 4.962 -10.099
165 2HG GLN 25 1HG GLN 25 20.255 5.344 -11.311
166 1HE2 GLN 25 2HE2 GLN 25 21.023 8.021 -8.346
167 2HE2 GLN 25 1HE2 GLN 25 21.727 6.477 -8.304
168 H LYS 26 H LYS 26 19.381 1.791 -8.217
169 HA LYS 26 HA LYS 26 16.564 1.438 -7.597
170 1HB LYS 26 2HB LYS 26 17.998 -0.572 -9.200
171 2HB LYS 26 1HB LYS 26 17.404 -1.285 -7.717
172 1HG LYS 26 2HG LYS 26 15.189 -0.830 -8.184
173 2HG LYS 26 1HG LYS 26 15.525 0.469 -9.300
174 1HD LYS 26 2HD LYS 26 16.721 -1.616 -10.647
175 2HD LYS 26 1HD LYS 26 15.464 -2.482 -9.786
176 1HE LYS 26 2HE LYS 26 14.477 -1.819 -11.874
177 2HE LYS 26 1HE LYS 26 13.815 -0.703 -10.691
178 1HZ LYS 26 2HZ LYS 26 15.614 0.865 -11.329
179 2HZ LYS 26 1HZ LYS 26 16.048 -0.207 -12.574
180 3HZ LYS 26 3HZ LYS 26 14.509 0.514 -12.577
181 H CYS 27 H CYS 27 16.306 1.238 -5.382
182 HA CYS 27 HA CYS 27 18.686 1.041 -3.768
183 1HB CYS 27 2HB CYS 27 15.796 0.854 -2.772
184 2HB CYS 27 1HB CYS 27 17.222 1.090 -1.857
185 H ILE 28 H ILE 28 19.189 -0.610 -2.372
186 HA ILE 28 HA ILE 28 17.796 -3.224 -2.597
187 HB ILE 28 HB ILE 28 20.053 -4.307 -2.715
188 1HG1 ILE 28 2HG1 ILE 28 21.126 -2.093 -1.732
189 2HG1 ILE 28 1HG1 ILE 28 22.019 -3.155 -2.746
190 1HG2 ILE 28 2HG2 ILE 28 19.355 -2.472 -5.037
191 2HG2 ILE 28 1HG2 ILE 28 20.568 -3.740 -5.120
192 3HG2 ILE 28 3HG2 ILE 28 18.892 -4.147 -4.809
193 1HD1 ILE 28 1HD1 ILE 28 20.507 -0.888 -4.012
194 2HD1 ILE 28 3HD1 ILE 28 22.024 -0.586 -3.191
195 3HD1 ILE 28 2HD1 ILE 28 21.964 -1.711 -4.548
196 H GLY 29 H GLY 29 19.250 -4.594 -0.843
197 1HA GLY 29 2HA GLY 29 18.921 -2.975 1.600
198 2HA GLY 29 1HA GLY 29 18.940 -4.693 1.577
199 H ALA 30 H ALA 30 20.472 -2.686 3.085
200 HA ALA 30 HA ALA 30 23.260 -2.808 2.204
201 1HB ALA 30 1HB ALA 30 21.919 -1.906 4.796
202 2HB ALA 30 3HB ALA 30 23.659 -1.826 4.546
203 3HB ALA 30 2HB ALA 30 22.581 -0.871 3.537
204 H HIS 31 H HIS 31 21.262 -4.162 4.722
205 HA HIS 31 HA HIS 31 23.269 -6.263 5.382
206 1HB HIS 31 2HB HIS 31 21.818 -4.772 7.097
207 2HB HIS 31 1HB HIS 31 20.586 -5.988 6.802
208 HD1 HIS 31 HD1 HIS 31 23.582 -5.456 8.721
209 HD2 HIS 31 HD2 HIS 31 21.585 -8.747 7.364
210 HE1 HIS 31 HE1 HIS 31 24.428 -7.368 10.029
211 1HN CGU 32 HN CGU 32 22.418 -6.458 2.940
212 HA CGU 32 HA CGU 32 20.323 -8.565 2.729
213 1HB CGU 32 1HB CGU 32 21.518 -6.773 0.590
214 2HB CGU 32 2HB CGU 32 20.183 -6.267 1.582
215 HG CGU 32 HG CGU 32 19.673 -8.893 0.394
216 H ASP 33 H ASP 33 21.673 -8.711 0.084
217 HA ASP 33 HA ASP 33 24.005 -10.445 0.665
218 1HB ASP 33 2HB ASP 33 22.286 -11.123 -1.719
219 2HB ASP 33 1HB ASP 33 23.038 -12.174 -0.542
220 H VAL 34 H VAL 34 23.793 -7.720 0.108
221 HA VAL 34 HA VAL 34 24.472 -7.163 -2.670
222 HB VAL 34 HB VAL 34 23.207 -5.585 -1.205
223 1HG1 VAL 34 1HG1 VAL 34 24.442 -6.031 0.937
224 2HG1 VAL 34 3HG1 VAL 34 25.820 -5.142 0.308
225 3HG1 VAL 34 2HG1 VAL 34 24.296 -4.323 0.578
226 1HG2 VAL 34 2HG2 VAL 34 24.672 -4.798 -3.175
227 2HG2 VAL 34 1HG2 VAL 34 24.188 -3.588 -2.001
228 3HG2 VAL 34 3HG2 VAL 34 25.818 -4.242 -1.962
No H/Q in entry = 228