Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
8068 | 1lfc RC | 4157 | cing | recoord | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H PHE 1 2H PHE 1 -12.336 2.290 1.588
2 2H PHE 1 1H PHE 1 -13.109 2.802 0.163
3 3H PHE 1 3H PHE 1 -13.617 1.381 0.938
4 HA PHE 1 HA PHE 1 -12.331 0.656 -0.893
5 1HB PHE 1 2HB PHE 1 -11.444 3.008 -1.171
6 2HB PHE 1 1HB PHE 1 -10.260 2.645 0.085
7 HD1 PHE 1 HD2 PHE 1 -11.619 0.657 -2.793
8 HD2 PHE 1 HD1 PHE 1 -8.158 2.327 -0.876
9 HE1 PHE 1 HE2 PHE 1 -10.160 -0.430 -4.480
10 HE2 PHE 1 HE1 PHE 1 -6.699 1.240 -2.561
11 HZ PHE 1 HZ PHE 1 -7.700 -0.139 -4.363
12 H LYS 2 H LYS 2 -11.460 -1.324 -0.404
13 HA LYS 2 HA LYS 2 -9.728 -1.550 2.034
14 1HB LYS 2 2HB LYS 2 -12.335 -2.447 1.731
15 2HB LYS 2 1HB LYS 2 -11.379 -3.884 1.368
16 1HG LYS 2 2HG LYS 2 -10.032 -3.101 3.526
17 2HG LYS 2 1HG LYS 2 -11.570 -2.328 3.914
18 1HD LYS 2 2HD LYS 2 -12.740 -4.396 3.890
19 2HD LYS 2 1HD LYS 2 -11.412 -5.226 3.078
20 1HE LYS 2 2HE LYS 2 -10.272 -4.161 5.423
21 2HE LYS 2 1HE LYS 2 -11.831 -4.849 5.921
22 1HZ LYS 2 2HZ LYS 2 -11.240 -6.809 4.490
23 2HZ LYS 2 1HZ LYS 2 -9.663 -6.182 4.399
24 3HZ LYS 2 3HZ LYS 2 -10.307 -6.638 5.899
25 H CYS 3 H CYS 3 -7.765 -1.803 0.907
26 HA CYS 3 HA CYS 3 -7.432 -3.337 -1.503
27 1HB CYS 3 2HB CYS 3 -5.970 -1.563 -0.096
28 2HB CYS 3 1HB CYS 3 -5.203 -3.055 0.446
29 H ARG 4 H ARG 4 -5.231 -4.964 -0.829
30 HA ARG 4 HA ARG 4 -6.200 -6.948 1.144
31 1HB ARG 4 2HB ARG 4 -7.461 -7.632 -0.732
32 2HB ARG 4 1HB ARG 4 -6.138 -7.298 -1.848
33 1HG ARG 4 2HG ARG 4 -5.730 -9.346 0.301
34 2HG ARG 4 1HG ARG 4 -6.666 -9.784 -1.128
35 1HD ARG 4 2HD ARG 4 -4.596 -8.614 -2.375
36 2HD ARG 4 1HD ARG 4 -3.760 -9.140 -0.901
37 HE ARG 4 HE ARG 4 -4.609 -11.444 -1.365
38 1HH1 ARG 4 1HH1 ARG 4 -5.872 -11.723 -4.750
39 2HH1 ARG 4 2HH1 ARG 4 -6.567 -11.760 -3.164
40 1HH2 ARG 4 1HH2 ARG 4 -2.921 -10.228 -3.710
41 2HH2 ARG 4 2HH2 ARG 4 -3.808 -10.855 -5.060
42 H ARG 5 H ARG 5 -3.710 -5.963 -1.195
43 HA ARG 5 HA ARG 5 -1.689 -7.282 0.552
44 1HB ARG 5 2HB ARG 5 -2.628 -8.175 -2.039
45 2HB ARG 5 1HB ARG 5 -0.901 -7.822 -2.091
46 1HG ARG 5 2HG ARG 5 -1.873 -9.321 0.286
47 2HG ARG 5 1HG ARG 5 -1.868 -10.193 -1.247
48 1HD ARG 5 2HD ARG 5 0.529 -9.530 -1.569
49 2HD ARG 5 1HD ARG 5 0.503 -8.806 0.051
50 HE ARG 5 HE ARG 5 -0.358 -11.639 -0.228
51 1HH1 ARG 5 1HH2 ARG 5 0.765 -9.474 1.969
52 2HH1 ARG 5 2HH2 ARG 5 2.087 -10.431 2.554
53 1HH2 ARG 5 2HH1 ARG 5 1.835 -12.797 0.032
54 2HH2 ARG 5 1HH1 ARG 5 2.691 -12.312 1.457
55 H TRP 6 H TRP 6 -1.141 -4.991 1.041
56 HA TRP 6 HA TRP 6 -0.327 -3.127 -0.967
57 1HB TRP 6 2HB TRP 6 0.307 -3.498 1.972
58 2HB TRP 6 1HB TRP 6 0.751 -2.058 1.055
59 HD1 TRP 6 HD1 TRP 6 -2.268 -3.943 2.346
60 HE1 TRP 6 HE1 TRP 6 -4.319 -2.386 2.206
61 HE3 TRP 6 HE3 TRP 6 -0.192 -0.064 -0.132
62 HZ2 TRP 6 HZ2 TRP 6 -4.980 0.219 1.171
63 HZ3 TRP 6 HZ3 TRP 6 -1.523 1.964 -0.698
64 HH2 TRP 6 HH2 TRP 6 -3.915 2.105 -0.048
65 H GLN 7 H GLN 7 1.232 -3.978 -2.426
66 HA GLN 7 HA GLN 7 3.567 -5.457 -1.394
67 1HB GLN 7 2HB GLN 7 2.643 -6.274 -3.414
68 2HB GLN 7 1HB GLN 7 2.467 -4.653 -4.087
69 1HG GLN 7 2HG GLN 7 4.816 -4.434 -4.436
70 2HG GLN 7 1HG GLN 7 5.170 -5.840 -3.431
71 1HE2 GLN 7 2HE2 GLN 7 5.258 -7.795 -6.362
72 2HE2 GLN 7 1HE2 GLN 7 6.059 -7.294 -4.952
73 H TRP 8 H TRP 8 5.192 -4.226 -0.507
74 HA TRP 8 HA TRP 8 5.671 -1.489 -0.769
75 1HB TRP 8 2HB TRP 8 7.288 -3.926 -0.153
76 2HB TRP 8 1HB TRP 8 8.128 -2.382 -0.323
77 HD1 TRP 8 HD1 TRP 8 6.137 -4.359 2.057
78 HE1 TRP 8 HE1 TRP 8 5.555 -2.966 4.138
79 HE3 TRP 8 HE3 TRP 8 7.434 0.240 0.391
80 HZ2 TRP 8 HZ2 TRP 8 5.641 -0.232 4.992
81 HZ3 TRP 8 HZ3 TRP 8 7.187 2.242 1.837
82 HH2 TRP 8 HH2 TRP 8 6.286 2.009 4.139
83 H ARG 9 H ARG 9 5.713 -0.549 -2.829
84 HA ARG 9 HA ARG 9 7.065 -1.818 -5.089
85 1HB ARG 9 2HB ARG 9 5.728 0.836 -4.526
86 2HB ARG 9 1HB ARG 9 6.497 0.500 -6.077
87 1HG ARG 9 2HG ARG 9 5.022 -1.323 -6.527
88 2HG ARG 9 1HG ARG 9 4.427 -1.342 -4.867
89 1HD ARG 9 2HD ARG 9 2.698 -0.156 -5.868
90 2HD ARG 9 1HD ARG 9 3.785 1.199 -5.502
91 HE ARG 9 HE ARG 9 4.633 0.136 -7.974
92 1HH1 ARG 9 1HH2 ARG 9 1.633 -0.185 -8.300
93 2HH1 ARG 9 2HH2 ARG 9 1.204 1.327 -9.026
94 1HH2 ARG 9 2HH1 ARG 9 4.186 2.883 -8.181
95 2HH2 ARG 9 1HH1 ARG 9 2.650 3.064 -8.959
96 H MET 10 H MET 10 8.603 -0.066 -6.329
97 HA MET 10 HA MET 10 10.920 0.257 -4.559
98 1HB MET 10 2HB MET 10 10.723 1.265 -7.384
99 2HB MET 10 1HB MET 10 12.093 0.525 -6.568
100 1HG MET 10 2HG MET 10 10.456 -1.567 -6.441
101 2HG MET 10 1HG MET 10 9.723 -0.781 -7.840
102 1HE MET 10 3HE MET 10 10.804 -3.460 -7.529
103 2HE MET 10 2HE MET 10 12.084 -3.875 -8.668
104 3HE MET 10 1HE MET 10 12.495 -3.450 -7.009
105 H LYS 11 H LYS 11 11.987 2.293 -4.215
106 HA LYS 11 HA LYS 11 10.659 4.809 -4.983
107 1HB LYS 11 2HB LYS 11 10.043 3.412 -2.556
108 2HB LYS 11 1HB LYS 11 10.894 4.902 -2.147
109 1HG LYS 11 2HG LYS 11 9.225 5.860 -4.038
110 2HG LYS 11 1HG LYS 11 8.236 4.535 -3.424
111 1HD LYS 11 2HD LYS 11 7.695 6.457 -2.094
112 2HD LYS 11 1HD LYS 11 8.706 5.420 -1.087
113 1HE LYS 11 2HE LYS 11 10.634 6.798 -1.427
114 2HE LYS 11 1HE LYS 11 9.849 7.687 -2.746
115 1HZ LYS 11 1HZ LYS 11 8.532 7.564 -0.123
116 2HZ LYS 11 3HZ LYS 11 9.820 8.647 -0.333
117 3HZ LYS 11 2HZ LYS 11 8.441 8.768 -1.317
118 H LYS 12 H LYS 12 11.859 6.303 -2.863
119 HA LYS 12 HA LYS 12 14.392 6.940 -3.898
120 1HB LYS 12 2HB LYS 12 13.637 7.142 -0.978
121 2HB LYS 12 1HB LYS 12 14.652 8.237 -1.910
122 1HG LYS 12 2HG LYS 12 12.180 8.110 -3.277
123 2HG LYS 12 1HG LYS 12 11.790 8.299 -1.567
124 1HD LYS 12 2HD LYS 12 12.901 10.341 -1.399
125 2HD LYS 12 1HD LYS 12 13.948 9.999 -2.777
126 1HE LYS 12 2HE LYS 12 12.485 10.972 -4.210
127 2HE LYS 12 1HE LYS 12 11.137 10.017 -3.561
128 1HZ LYS 12 2HZ LYS 12 12.334 12.398 -2.243
129 2HZ LYS 12 1HZ LYS 12 10.867 12.398 -3.101
130 3HZ LYS 12 3HZ LYS 12 11.013 11.495 -1.673
131 H LEU 13 H LEU 13 16.240 6.863 -1.870
132 HA LEU 13 HA LEU 13 17.333 4.221 -2.118
133 1HB LEU 13 2HB LEU 13 19.155 5.207 -0.800
134 2HB LEU 13 1HB LEU 13 18.611 6.345 -2.035
135 HG LEU 13 HG LEU 13 16.977 6.773 0.244
136 1HD1 LEU 13 3HD1 LEU 13 18.934 5.549 1.390
137 2HD1 LEU 13 2HD1 LEU 13 19.902 6.966 0.980
138 3HD1 LEU 13 1HD1 LEU 13 18.498 7.132 2.034
139 1HD2 LEU 13 2HD2 LEU 13 19.123 8.241 -1.258
140 2HD2 LEU 13 1HD2 LEU 13 17.408 8.625 -1.102
141 3HD2 LEU 13 3HD2 LEU 13 18.507 8.932 0.242
142 H GLY 14 H GLY 14 17.304 2.534 -0.665
143 1HA GLY 14 2HA GLY 14 16.467 1.248 1.122
144 2HA GLY 14 1HA GLY 14 17.142 2.554 2.088
145 H ALA 15 H ALA 15 14.342 2.521 -0.119
146 HA ALA 15 HA ALA 15 12.458 2.737 2.118
147 1HB ALA 15 1HB ALA 15 13.790 5.016 1.361
148 2HB ALA 15 3HB ALA 15 12.326 5.116 0.383
149 3HB ALA 15 2HB ALA 15 12.207 4.998 2.139
150 HA PRO 16 HA PRO 16 10.500 1.071 -1.621
151 1HB PRO 16 2HB PRO 16 8.898 -0.691 -0.257
152 2HB PRO 16 1HB PRO 16 10.590 -1.037 -0.675
153 1HG PRO 16 2HG PRO 16 9.414 -0.198 1.917
154 2HG PRO 16 1HG PRO 16 10.762 -1.295 1.589
155 1HD PRO 16 2HD PRO 16 11.031 1.325 2.419
156 2HD PRO 16 1HD PRO 16 12.286 0.392 1.575
157 H SER 17 H SER 17 7.967 0.772 -1.963
158 HA SER 17 HA SER 17 6.453 2.808 -0.370
159 1HB SER 17 2HB SER 17 7.370 2.908 -3.126
160 2HB SER 17 1HB SER 17 5.613 3.004 -3.050
161 HG SER 17 HG SER 17 7.075 4.501 -1.209
162 H ILE 18 H ILE 18 5.123 1.194 0.605
163 HA ILE 18 HA ILE 18 3.947 -0.970 -0.937
164 HB ILE 18 HB ILE 18 4.466 -0.442 1.696
165 1HG1 ILE 18 2HG1 ILE 18 2.355 -2.375 0.712
166 2HG1 ILE 18 1HG1 ILE 18 4.088 -2.640 0.554
167 1HG2 ILE 18 2HG2 ILE 18 1.470 -0.161 1.338
168 2HG2 ILE 18 1HG2 ILE 18 2.295 -0.386 2.879
169 3HG2 ILE 18 3HG2 ILE 18 2.564 1.084 1.944
170 1HD1 ILE 18 3HD1 ILE 18 3.812 -1.969 3.223
171 2HD1 ILE 18 2HD1 ILE 18 2.367 -2.929 2.908
172 3HD1 ILE 18 1HD1 ILE 18 3.963 -3.610 2.595
173 H THR 19 H THR 19 2.416 -0.587 -2.445
174 HA THR 19 HA THR 19 0.433 1.610 -1.965
175 HB THR 19 HB THR 19 1.211 0.222 -4.548
176 HG1 THR 19 HG1 THR 19 2.280 2.474 -4.675
177 1HG2 THR 19 2HG2 THR 19 -0.449 2.603 -3.796
178 2HG2 THR 19 1HG2 THR 19 0.388 2.590 -5.349
179 3HG2 THR 19 3HG2 THR 19 -0.790 1.332 -4.971
180 H CYS 20 H CYS 20 -1.751 1.042 -3.123
181 HA CYS 20 HA CYS 20 -2.710 -1.482 -1.998
182 1HB CYS 20 2HB CYS 20 -4.012 0.605 -1.957
183 2HB CYS 20 1HB CYS 20 -3.996 0.664 -3.719
184 H VAL 21 H VAL 21 -2.488 -3.397 -3.111
185 HA VAL 21 HA VAL 21 -2.400 -3.272 -6.091
186 HB VAL 21 HB VAL 21 -0.927 -5.101 -6.004
187 1HG1 VAL 21 1HG1 VAL 21 -0.565 -3.638 -3.375
188 2HG1 VAL 21 3HG1 VAL 21 0.625 -4.737 -4.068
189 3HG1 VAL 21 2HG1 VAL 21 0.200 -3.251 -4.916
190 1HG2 VAL 21 2HG2 VAL 21 -2.298 -5.743 -3.390
191 2HG2 VAL 21 1HG2 VAL 21 -2.203 -6.730 -4.850
192 3HG2 VAL 21 3HG2 VAL 21 -0.773 -6.507 -3.842
193 H ARG 22 H ARG 22 -4.773 -3.286 -4.340
194 HA ARG 22 HA ARG 22 -6.310 -5.324 -5.785
195 1HB ARG 22 2HB ARG 22 -5.182 -5.780 -3.149
196 2HB ARG 22 1HB ARG 22 -6.943 -5.866 -3.093
197 1HG ARG 22 2HG ARG 22 -5.981 -7.209 -5.459
198 2HG ARG 22 1HG ARG 22 -5.163 -7.852 -4.035
199 1HD ARG 22 2HD ARG 22 -7.086 -9.160 -3.993
200 2HD ARG 22 1HD ARG 22 -7.668 -7.772 -3.053
201 HE ARG 22 HE ARG 22 -8.602 -6.858 -5.188
202 1HH1 ARG 22 1HH2 ARG 22 -7.035 -8.767 -6.973
203 2HH1 ARG 22 2HH2 ARG 22 -8.277 -9.874 -7.452
204 1HH2 ARG 22 2HH1 ARG 22 -10.483 -8.888 -4.965
205 2HH2 ARG 22 1HH1 ARG 22 -10.229 -9.943 -6.315
206 H ARG 23 H ARG 23 -8.379 -4.511 -6.060
207 HA ARG 23 HA ARG 23 -9.160 -2.176 -4.376
208 1HB ARG 23 2HB ARG 23 -10.102 -3.177 -7.086
209 2HB ARG 23 1HB ARG 23 -10.591 -1.667 -6.326
210 1HG ARG 23 2HG ARG 23 -8.149 -1.014 -6.253
211 2HG ARG 23 1HG ARG 23 -7.816 -2.431 -7.249
212 1HD ARG 23 2HD ARG 23 -8.331 -1.209 -9.085
213 2HD ARG 23 1HD ARG 23 -9.988 -1.038 -8.472
214 HE ARG 23 HE ARG 23 -7.806 0.923 -8.110
215 1HH1 ARG 23 1HH2 ARG 23 -8.499 1.636 -5.703
216 2HH1 ARG 23 2HH2 ARG 23 -10.089 2.322 -5.714
217 1HH2 ARG 23 2HH1 ARG 23 -10.922 1.008 -8.814
218 2HH2 ARG 23 1HH1 ARG 23 -11.461 1.967 -7.475
219 H ALA 24 H ALA 24 -9.560 -4.498 -3.026
220 HA ALA 24 HA ALA 24 -12.127 -5.756 -3.579
221 1HB ALA 24 1HB ALA 24 -9.866 -6.333 -2.140
222 2HB ALA 24 3HB ALA 24 -10.981 -5.863 -0.856
223 3HB ALA 24 2HB ALA 24 -11.400 -7.182 -1.949
224 H PHE 25 HN PHE 25 -14.062 -4.767 -3.175
225 HA PHE 25 HA PHE 25 -14.602 -2.320 -2.054
226 1HB PHE 25 2HB PHE 25 -16.032 -4.926 -2.274
227 2HB PHE 25 1HB PHE 25 -16.774 -3.699 -1.248
228 HD1 PHE 25 HD2 PHE 25 -16.875 -1.269 -2.279
229 HD2 PHE 25 HD1 PHE 25 -16.444 -4.874 -4.574
230 HE1 PHE 25 HE2 PHE 25 -17.712 -0.087 -4.292
231 HE2 PHE 25 HE1 PHE 25 -17.282 -3.692 -6.587
232 HZ PHE 25 HZ PHE 25 -17.916 -1.299 -6.446
No H/Q in entry = 232
Start of MODEL 2
1 1H PHE 1 2H PHE 1 -8.139 2.965 2.330
2 2H PHE 1 1H PHE 1 -8.678 4.334 1.482
3 3H PHE 1 3H PHE 1 -9.746 3.490 2.493
4 HA PHE 1 HA PHE 1 -10.372 2.714 0.414
5 1HB PHE 1 2HB PHE 1 -8.470 3.998 -0.603
6 2HB PHE 1 1HB PHE 1 -7.401 2.652 -0.208
7 HD1 PHE 1 HD1 PHE 1 -10.510 3.528 -2.084
8 HD2 PHE 1 HD2 PHE 1 -7.252 0.765 -1.623
9 HE1 PHE 1 HE1 PHE 1 -11.202 2.365 -4.162
10 HE2 PHE 1 HE2 PHE 1 -7.945 -0.397 -3.701
11 HZ PHE 1 HZ PHE 1 -9.919 0.403 -4.971
12 H LYS 2 H LYS 2 -10.759 0.507 0.025
13 HA LYS 2 HA LYS 2 -9.612 -1.391 1.935
14 1HB LYS 2 2HB LYS 2 -11.984 -1.058 0.550
15 2HB LYS 2 1HB LYS 2 -11.232 -2.411 -0.296
16 1HG LYS 2 2HG LYS 2 -11.786 -3.788 1.391
17 2HG LYS 2 1HG LYS 2 -10.855 -2.797 2.514
18 1HD LYS 2 2HD LYS 2 -13.600 -1.917 1.656
19 2HD LYS 2 1HD LYS 2 -13.416 -3.115 2.938
20 1HE LYS 2 2HE LYS 2 -11.678 -1.378 3.914
21 2HE LYS 2 1HE LYS 2 -12.593 -0.225 2.921
22 1HZ LYS 2 2HZ LYS 2 -14.638 -1.373 3.897
23 2HZ LYS 2 1HZ LYS 2 -13.584 -1.983 5.082
24 3HZ LYS 2 3HZ LYS 2 -13.785 -0.307 4.908
25 H CYS 3 H CYS 3 -8.566 -3.421 1.230
26 HA CYS 3 HA CYS 3 -7.525 -3.631 -1.506
27 1HB CYS 3 2HB CYS 3 -6.209 -1.918 0.124
28 2HB CYS 3 1HB CYS 3 -5.383 -3.418 0.538
29 H ARG 4 H ARG 4 -5.284 -5.211 -0.847
30 HA ARG 4 HA ARG 4 -6.248 -7.377 0.926
31 1HB ARG 4 2HB ARG 4 -7.392 -7.984 -1.044
32 2HB ARG 4 1HB ARG 4 -6.053 -7.489 -2.076
33 1HG ARG 4 2HG ARG 4 -5.305 -9.569 -0.149
34 2HG ARG 4 1HG ARG 4 -6.565 -10.084 -1.272
35 1HD ARG 4 2HD ARG 4 -4.848 -8.778 -2.970
36 2HD ARG 4 1HD ARG 4 -3.721 -9.494 -1.801
37 HE ARG 4 HE ARG 4 -5.858 -11.293 -2.726
38 1HH1 ARG 4 2HH1 ARG 4 -3.075 -12.012 -1.654
39 2HH1 ARG 4 1HH1 ARG 4 -2.312 -12.592 -3.098
40 1HH2 ARG 4 1HH2 ARG 4 -4.693 -11.230 -5.221
41 2HH2 ARG 4 2HH2 ARG 4 -3.228 -12.149 -5.117
42 H ARG 5 H ARG 5 -3.705 -6.119 -1.218
43 HA ARG 5 HA ARG 5 -1.695 -7.399 0.552
44 1HB ARG 5 2HB ARG 5 -2.055 -9.120 -1.043
45 2HB ARG 5 1HB ARG 5 -2.133 -7.970 -2.378
46 1HG ARG 5 2HG ARG 5 0.154 -7.741 -2.498
47 2HG ARG 5 1HG ARG 5 0.377 -8.018 -0.770
48 1HD ARG 5 2HD ARG 5 -0.700 -10.425 -1.828
49 2HD ARG 5 1HD ARG 5 0.610 -9.924 -2.915
50 HE ARG 5 HE ARG 5 0.920 -10.678 -0.100
51 1HH1 ARG 5 2HH1 ARG 5 2.049 -8.492 -2.489
52 2HH1 ARG 5 1HH1 ARG 5 3.717 -8.652 -2.050
53 1HH2 ARG 5 1HH2 ARG 5 3.126 -11.081 0.353
54 2HH2 ARG 5 2HH2 ARG 5 4.327 -10.117 -0.441
55 H TRP 6 H TRP 6 -1.089 -5.192 1.087
56 HA TRP 6 HA TRP 6 -0.365 -3.231 -0.873
57 1HB TRP 6 2HB TRP 6 0.334 -3.700 2.038
58 2HB TRP 6 1HB TRP 6 0.725 -2.217 1.166
59 HD1 TRP 6 HD1 TRP 6 -2.236 -4.231 2.416
60 HE1 TRP 6 HE1 TRP 6 -4.317 -2.708 2.387
61 HE3 TRP 6 HE3 TRP 6 -0.266 -0.192 0.118
62 HZ2 TRP 6 HZ2 TRP 6 -5.039 -0.066 1.499
63 HZ3 TRP 6 HZ3 TRP 6 -1.641 1.840 -0.324
64 HH2 TRP 6 HH2 TRP 6 -4.026 1.902 0.365
65 H GLN 7 H GLN 7 1.152 -4.084 -2.391
66 HA GLN 7 HA GLN 7 3.537 -5.530 -1.453
67 1HB GLN 7 2HB GLN 7 2.566 -6.293 -3.475
68 2HB GLN 7 1HB GLN 7 2.382 -4.655 -4.102
69 1HG GLN 7 2HG GLN 7 4.795 -4.424 -4.338
70 2HG GLN 7 1HG GLN 7 5.050 -5.997 -3.582
71 1HE2 GLN 7 2HE2 GLN 7 4.066 -5.792 -7.518
72 2HE2 GLN 7 1HE2 GLN 7 4.206 -4.388 -6.574
73 H TRP 8 H TRP 8 5.058 -4.205 -0.463
74 HA TRP 8 HA TRP 8 5.528 -1.491 -0.707
75 1HB TRP 8 2HB TRP 8 7.218 -3.905 -0.212
76 2HB TRP 8 1HB TRP 8 8.012 -2.336 -0.353
77 HD1 TRP 8 HD1 TRP 8 6.138 -4.439 2.011
78 HE1 TRP 8 HE1 TRP 8 5.576 -3.133 4.151
79 HE3 TRP 8 HE3 TRP 8 7.275 0.247 0.470
80 HZ2 TRP 8 HZ2 TRP 8 5.614 -0.429 5.095
81 HZ3 TRP 8 HZ3 TRP 8 7.013 2.190 1.990
82 HH2 TRP 8 HH2 TRP 8 6.180 1.856 4.304
83 H ARG 9 H ARG 9 5.438 -0.533 -2.769
84 HA ARG 9 HA ARG 9 6.787 -1.708 -5.081
85 1HB ARG 9 2HB ARG 9 5.262 0.807 -4.419
86 2HB ARG 9 1HB ARG 9 6.110 0.670 -5.961
87 1HG ARG 9 2HG ARG 9 4.457 -1.669 -5.196
88 2HG ARG 9 1HG ARG 9 3.566 -0.197 -5.581
89 1HD ARG 9 2HD ARG 9 5.741 -1.306 -7.382
90 2HD ARG 9 1HD ARG 9 4.022 -1.699 -7.584
91 HE ARG 9 HE ARG 9 4.368 1.148 -7.310
92 1HH1 ARG 9 1HH2 ARG 9 6.303 -0.288 -9.418
93 2HH1 ARG 9 2HH2 ARG 9 5.455 0.133 -10.868
94 1HH2 ARG 9 2HH1 ARG 9 2.597 1.180 -9.208
95 2HH2 ARG 9 1HH1 ARG 9 3.357 0.964 -10.749
96 H MET 10 H MET 10 8.116 0.294 -6.320
97 HA MET 10 HA MET 10 10.549 0.553 -4.719
98 1HB MET 10 2HB MET 10 10.061 1.933 -7.338
99 2HB MET 10 1HB MET 10 11.523 1.150 -6.756
100 1HG MET 10 2HG MET 10 10.034 -1.026 -6.821
101 2HG MET 10 1HG MET 10 9.076 -0.089 -7.968
102 1HE MET 10 1HE MET 10 11.915 -1.800 -6.879
103 2HE MET 10 3HE MET 10 12.632 -2.472 -8.350
104 3HE MET 10 2HE MET 10 13.295 -1.007 -7.633
105 H LYS 11 H LYS 11 11.522 2.550 -4.132
106 HA LYS 11 HA LYS 11 10.075 5.094 -4.451
107 1HB LYS 11 2HB LYS 11 9.673 3.336 -2.205
108 2HB LYS 11 1HB LYS 11 10.457 4.817 -1.656
109 1HG LYS 11 2HG LYS 11 8.067 4.890 -3.497
110 2HG LYS 11 1HG LYS 11 7.884 4.826 -1.743
111 1HD LYS 11 2HD LYS 11 7.896 7.128 -2.118
112 2HD LYS 11 1HD LYS 11 9.600 6.821 -1.778
113 1HE LYS 11 2HE LYS 11 10.194 6.924 -4.080
114 2HE LYS 11 1HE LYS 11 8.505 6.762 -4.603
115 1HZ LYS 11 3HZ LYS 11 9.569 9.011 -2.977
116 2HZ LYS 11 2HZ LYS 11 9.278 9.085 -4.650
117 3HZ LYS 11 1HZ LYS 11 7.987 8.859 -3.568
118 H LYS 12 H LYS 12 11.353 6.351 -2.243
119 HA LYS 12 HA LYS 12 13.864 7.092 -3.310
120 1HB LYS 12 2HB LYS 12 13.233 7.044 -0.356
121 2HB LYS 12 1HB LYS 12 14.171 8.236 -1.248
122 1HG LYS 12 2HG LYS 12 11.763 8.357 -2.555
123 2HG LYS 12 1HG LYS 12 11.252 8.036 -0.897
124 1HD LYS 12 2HD LYS 12 13.189 9.920 -0.490
125 2HD LYS 12 1HD LYS 12 12.528 10.442 -2.040
126 1HE LYS 12 2HE LYS 12 10.632 11.204 -1.053
127 2HE LYS 12 1HE LYS 12 10.413 9.680 -0.171
128 1HZ LYS 12 1HZ LYS 12 12.420 10.498 1.188
129 2HZ LYS 12 3HZ LYS 12 12.029 12.032 0.581
130 3HZ LYS 12 2HZ LYS 12 10.896 11.175 1.514
131 H LEU 13 H LEU 13 15.800 6.782 -1.392
132 HA LEU 13 HA LEU 13 16.627 4.043 -1.824
133 1HB LEU 13 2HB LEU 13 17.749 6.618 -1.017
134 2HB LEU 13 1HB LEU 13 18.478 5.246 -0.173
135 HG LEU 13 HG LEU 13 18.092 4.512 -2.894
136 1HD1 LEU 13 1HD1 LEU 13 18.110 7.055 -3.176
137 2HD1 LEU 13 3HD1 LEU 13 19.782 7.010 -2.614
138 3HD1 LEU 13 2HD1 LEU 13 19.328 6.173 -4.099
139 1HD2 LEU 13 1HD2 LEU 13 20.400 4.949 -1.015
140 2HD2 LEU 13 3HD2 LEU 13 19.821 3.446 -1.732
141 3HD2 LEU 13 2HD2 LEU 13 20.721 4.601 -2.713
142 H GLY 14 H GLY 14 16.951 2.453 -0.245
143 1HA GLY 14 2HA GLY 14 16.403 1.265 1.701
144 2HA GLY 14 1HA GLY 14 16.855 2.749 2.544
145 H ALA 15 H ALA 15 14.291 2.998 0.234
146 HA ALA 15 HA ALA 15 12.229 2.671 2.368
147 1HB ALA 15 3HB ALA 15 13.164 5.180 1.053
148 2HB ALA 15 2HB ALA 15 11.438 5.029 1.382
149 3HB ALA 15 1HB ALA 15 12.600 4.922 2.704
150 HA PRO 16 HA PRO 16 10.359 1.232 -1.467
151 1HB PRO 16 2HB PRO 16 8.749 -0.629 -0.250
152 2HB PRO 16 1HB PRO 16 10.465 -0.913 -0.609
153 1HG PRO 16 2HG PRO 16 9.150 -0.386 1.964
154 2HG PRO 16 1HG PRO 16 10.673 -1.213 1.621
155 1HD PRO 16 2HD PRO 16 10.328 1.448 2.553
156 2HD PRO 16 1HD PRO 16 11.843 0.657 2.074
157 H SER 17 H SER 17 7.798 0.813 -1.851
158 HA SER 17 HA SER 17 6.229 2.833 -0.288
159 1HB SER 17 2HB SER 17 7.266 3.180 -2.851
160 2HB SER 17 1HB SER 17 5.598 2.699 -3.144
161 HG SER 17 HG SER 17 4.894 4.445 -2.089
162 H ILE 18 H ILE 18 4.975 1.162 0.736
163 HA ILE 18 HA ILE 18 3.800 -1.006 -0.811
164 HB ILE 18 HB ILE 18 4.381 -0.512 1.824
165 1HG1 ILE 18 2HG1 ILE 18 2.334 -2.501 0.809
166 2HG1 ILE 18 1HG1 ILE 18 4.077 -2.700 0.670
167 1HG2 ILE 18 1HG2 ILE 18 2.368 0.946 2.040
168 2HG2 ILE 18 3HG2 ILE 18 1.362 -0.438 1.608
169 3HG2 ILE 18 2HG2 ILE 18 2.313 -0.466 3.093
170 1HD1 ILE 18 1HD1 ILE 18 3.754 -2.091 3.345
171 2HD1 ILE 18 3HD1 ILE 18 2.337 -3.082 2.999
172 3HD1 ILE 18 2HD1 ILE 18 3.952 -3.717 2.689
173 H THR 19 H THR 19 2.252 -0.581 -2.285
174 HA THR 19 HA THR 19 0.249 1.567 -1.699
175 HB THR 19 HB THR 19 0.922 0.264 -4.349
176 HG1 THR 19 HG1 THR 19 2.672 1.403 -4.414
177 1HG2 THR 19 1HG2 THR 19 -0.560 2.700 -3.427
178 2HG2 THR 19 3HG2 THR 19 0.237 2.725 -5.000
179 3HG2 THR 19 2HG2 THR 19 -1.007 1.520 -4.660
180 H CYS 20 H CYS 20 -1.950 1.025 -2.805
181 HA CYS 20 HA CYS 20 -2.868 -1.554 -1.773
182 1HB CYS 20 2HB CYS 20 -4.179 0.522 -1.604
183 2HB CYS 20 1HB CYS 20 -4.203 0.665 -3.361
184 H VAL 21 H VAL 21 -2.499 -3.389 -2.998
185 HA VAL 21 HA VAL 21 -2.506 -3.115 -5.961
186 HB VAL 21 HB VAL 21 -1.044 -4.960 -5.976
187 1HG1 VAL 21 2HG1 VAL 21 -0.652 -3.627 -3.282
188 2HG1 VAL 21 1HG1 VAL 21 0.535 -4.675 -4.058
189 3HG1 VAL 21 3HG1 VAL 21 0.082 -3.148 -4.812
190 1HG2 VAL 21 1HG2 VAL 21 -2.324 -5.703 -3.336
191 2HG2 VAL 21 3HG2 VAL 21 -2.376 -6.601 -4.853
192 3HG2 VAL 21 2HG2 VAL 21 -0.870 -6.494 -3.942
193 H ARG 22 H ARG 22 -4.888 -3.223 -4.226
194 HA ARG 22 HA ARG 22 -6.410 -5.188 -5.784
195 1HB ARG 22 2HB ARG 22 -5.155 -6.066 -3.495
196 2HB ARG 22 1HB ARG 22 -6.756 -5.636 -2.892
197 1HG ARG 22 2HG ARG 22 -6.807 -7.091 -5.449
198 2HG ARG 22 1HG ARG 22 -6.130 -8.023 -4.112
199 1HD ARG 22 2HD ARG 22 -8.154 -7.430 -2.742
200 2HD ARG 22 1HD ARG 22 -8.850 -6.672 -4.188
201 HE ARG 22 HE ARG 22 -8.077 -9.564 -4.060
202 1HH1 ARG 22 1HH2 ARG 22 -8.391 -9.181 -6.774
203 2HH1 ARG 22 2HH2 ARG 22 -10.095 -9.175 -7.086
204 1HH2 ARG 22 2HH1 ARG 22 -10.965 -8.587 -3.780
205 2HH2 ARG 22 1HH1 ARG 22 -11.552 -8.839 -5.391
206 H ARG 23 H ARG 23 -8.541 -4.475 -5.944
207 HA ARG 23 HA ARG 23 -9.310 -2.169 -4.213
208 1HB ARG 23 2HB ARG 23 -10.316 -3.140 -6.909
209 2HB ARG 23 1HB ARG 23 -10.794 -1.646 -6.114
210 1HG ARG 23 2HG ARG 23 -8.355 -0.974 -6.107
211 2HG ARG 23 1HG ARG 23 -8.044 -2.372 -7.136
212 1HD ARG 23 2HD ARG 23 -9.692 -1.482 -8.794
213 2HD ARG 23 1HD ARG 23 -9.875 -0.034 -7.784
214 HE ARG 23 HE ARG 23 -7.323 -0.864 -9.105
215 1HH1 ARG 23 2HH1 ARG 23 -6.794 0.754 -6.704
216 2HH1 ARG 23 1HH1 ARG 23 -6.847 2.377 -7.304
217 1HH2 ARG 23 1HH2 ARG 23 -8.493 1.521 -10.234
218 2HH2 ARG 23 2HH2 ARG 23 -7.809 2.813 -9.303
219 H ALA 24 H ALA 24 -9.632 -4.521 -2.893
220 HA ALA 24 HA ALA 24 -12.208 -5.793 -3.403
221 1HB ALA 24 1HB ALA 24 -10.085 -6.743 -2.313
222 2HB ALA 24 3HB ALA 24 -10.547 -5.837 -0.873
223 3HB ALA 24 2HB ALA 24 -11.604 -7.104 -1.495
224 H PHE 25 HN PHE 25 -13.689 -3.954 -3.344
225 HA PHE 25 HA PHE 25 -14.010 -1.942 -1.504
226 1HB PHE 25 2HB PHE 25 -16.388 -2.101 -2.028
227 2HB PHE 25 1HB PHE 25 -15.459 -2.520 -3.467
228 HD1 PHE 25 HD1 PHE 25 -15.112 -4.943 -4.062
229 HD2 PHE 25 HD2 PHE 25 -17.816 -3.694 -0.968
230 HE1 PHE 25 HE1 PHE 25 -16.222 -7.159 -4.138
231 HE2 PHE 25 HE2 PHE 25 -18.925 -5.910 -1.042
232 HZ PHE 25 HZ PHE 25 -18.129 -7.643 -2.627
No H/Q in entry = 232
Start of MODEL 3
1 1H PHE 1 3H PHE 1 -7.980 2.844 -1.227
2 2H PHE 1 2H PHE 1 -8.972 4.220 -1.328
3 3H PHE 1 1H PHE 1 -8.148 3.868 0.115
4 HA PHE 1 HA PHE 1 -10.423 3.236 0.425
5 1HB PHE 1 2HB PHE 1 -11.414 1.667 -1.255
6 2HB PHE 1 1HB PHE 1 -10.942 3.209 -1.968
7 HD1 PHE 1 HD2 PHE 1 -10.037 -0.361 -1.614
8 HD2 PHE 1 HD1 PHE 1 -9.105 3.369 -3.531
9 HE1 PHE 1 HE2 PHE 1 -8.541 -1.548 -3.197
10 HE2 PHE 1 HE1 PHE 1 -7.610 2.182 -5.114
11 HZ PHE 1 HZ PHE 1 -7.327 -0.276 -4.947
12 H LYS 2 H LYS 2 -11.051 0.459 0.154
13 HA LYS 2 HA LYS 2 -9.110 -0.676 2.058
14 1HB LYS 2 2HB LYS 2 -11.872 -1.122 1.115
15 2HB LYS 2 1HB LYS 2 -10.997 -2.598 1.523
16 1HG LYS 2 2HG LYS 2 -10.735 -0.334 3.433
17 2HG LYS 2 1HG LYS 2 -12.306 -1.135 3.370
18 1HD LYS 2 2HD LYS 2 -10.458 -3.232 3.337
19 2HD LYS 2 1HD LYS 2 -9.802 -2.088 4.508
20 1HE LYS 2 2HE LYS 2 -11.271 -3.045 5.972
21 2HE LYS 2 1HE LYS 2 -12.512 -2.105 5.119
22 1HZ LYS 2 2HZ LYS 2 -12.423 -4.010 3.427
23 2HZ LYS 2 1HZ LYS 2 -11.684 -4.904 4.668
24 3HZ LYS 2 3HZ LYS 2 -13.247 -4.284 4.887
25 H CYS 3 H CYS 3 -7.292 -1.607 1.181
26 HA CYS 3 HA CYS 3 -7.432 -2.901 -1.494
27 1HB CYS 3 2HB CYS 3 -5.641 -1.237 -0.375
28 2HB CYS 3 1HB CYS 3 -4.948 -2.773 0.140
29 H ARG 4 H ARG 4 -5.311 -4.705 -1.060
30 HA ARG 4 HA ARG 4 -6.144 -6.553 1.087
31 1HB ARG 4 2HB ARG 4 -7.738 -7.263 -0.445
32 2HB ARG 4 1HB ARG 4 -6.743 -6.834 -1.832
33 1HG ARG 4 2HG ARG 4 -5.889 -9.059 0.006
34 2HG ARG 4 1HG ARG 4 -7.078 -9.360 -1.263
35 1HD ARG 4 2HD ARG 4 -5.227 -8.012 -2.712
36 2HD ARG 4 1HD ARG 4 -4.173 -8.777 -1.505
37 HE ARG 4 HE ARG 4 -5.797 -10.194 -3.509
38 1HH1 ARG 4 2HH1 ARG 4 -4.533 -10.347 -0.320
39 2HH1 ARG 4 1HH1 ARG 4 -4.110 -12.024 -0.418
40 1HH2 ARG 4 1HH2 ARG 4 -5.065 -12.343 -3.736
41 2HH2 ARG 4 2HH2 ARG 4 -4.411 -13.154 -2.352
42 H ARG 5 H ARG 5 -3.991 -5.844 -1.651
43 HA ARG 5 HA ARG 5 -1.889 -7.482 -0.276
44 1HB ARG 5 2HB ARG 5 -3.175 -7.854 -2.838
45 2HB ARG 5 1HB ARG 5 -1.445 -7.592 -3.060
46 1HG ARG 5 2HG ARG 5 -2.522 -9.531 -1.007
47 2HG ARG 5 1HG ARG 5 -2.185 -10.017 -2.670
48 1HD ARG 5 2HD ARG 5 0.134 -9.626 -2.445
49 2HD ARG 5 1HD ARG 5 -0.090 -8.589 -1.023
50 HE ARG 5 HE ARG 5 -0.093 -10.551 0.281
51 1HH1 ARG 5 2HH1 ARG 5 0.199 -11.522 -2.899
52 2HH1 ARG 5 1HH1 ARG 5 -0.532 -13.078 -2.686
53 1HH2 ARG 5 1HH2 ARG 5 -1.596 -12.428 0.550
54 2HH2 ARG 5 2HH2 ARG 5 -1.548 -13.591 -0.733
55 H TRP 6 H TRP 6 -1.257 -5.207 0.483
56 HA TRP 6 HA TRP 6 -0.377 -3.215 -1.367
57 1HB TRP 6 2HB TRP 6 0.279 -3.882 1.511
58 2HB TRP 6 1HB TRP 6 0.804 -2.398 0.715
59 HD1 TRP 6 HD1 TRP 6 -2.301 -4.187 1.912
60 HE1 TRP 6 HE1 TRP 6 -4.252 -2.504 1.955
61 HE3 TRP 6 HE3 TRP 6 -0.044 -0.254 -0.306
62 HZ2 TRP 6 HZ2 TRP 6 -4.774 0.209 1.145
63 HZ3 TRP 6 HZ3 TRP 6 -1.258 1.888 -0.675
64 HH2 TRP 6 HH2 TRP 6 -3.623 2.119 0.049
65 H GLN 7 H GLN 7 1.215 -3.756 -2.878
66 HA GLN 7 HA GLN 7 3.438 -5.555 -2.081
67 1HB GLN 7 2HB GLN 7 2.437 -6.045 -4.182
68 2HB GLN 7 1HB GLN 7 2.405 -4.344 -4.650
69 1HG GLN 7 2HG GLN 7 4.714 -4.283 -5.071
70 2HG GLN 7 1HG GLN 7 5.025 -5.717 -4.092
71 1HE2 GLN 7 2HE2 GLN 7 4.078 -6.132 -8.014
72 2HE2 GLN 7 1HE2 GLN 7 4.194 -4.600 -7.291
73 H TRP 8 H TRP 8 5.133 -4.522 -1.070
74 HA TRP 8 HA TRP 8 5.726 -1.788 -1.023
75 1HB TRP 8 2HB TRP 8 7.248 -4.337 -0.674
76 2HB TRP 8 1HB TRP 8 8.132 -2.808 -0.648
77 HD1 TRP 8 HD1 TRP 8 6.069 -4.990 1.456
78 HE1 TRP 8 HE1 TRP 8 5.471 -3.839 3.673
79 HE3 TRP 8 HE3 TRP 8 7.459 -0.262 0.346
80 HZ2 TRP 8 HZ2 TRP 8 5.579 -1.221 4.834
81 HZ3 TRP 8 HZ3 TRP 8 7.213 1.568 2.005
82 HH2 TRP 8 HH2 TRP 8 6.271 1.092 4.250
83 H ARG 9 H ARG 9 5.789 -0.655 -2.975
84 HA ARG 9 HA ARG 9 7.105 -1.726 -5.354
85 1HB ARG 9 2HB ARG 9 5.876 0.913 -4.526
86 2HB ARG 9 1HB ARG 9 6.590 0.672 -6.120
87 1HG ARG 9 2HG ARG 9 5.053 -1.166 -6.578
88 2HG ARG 9 1HG ARG 9 4.386 -1.050 -4.949
89 1HD ARG 9 2HD ARG 9 2.836 0.160 -6.290
90 2HD ARG 9 1HD ARG 9 3.860 1.430 -5.589
91 HE ARG 9 HE ARG 9 5.098 0.516 -7.986
92 1HH1 ARG 9 2HH1 ARG 9 2.009 1.752 -7.174
93 2HH1 ARG 9 1HH1 ARG 9 1.968 2.898 -8.471
94 1HH2 ARG 9 1HH2 ARG 9 5.187 2.194 -9.550
95 2HH2 ARG 9 2HH2 ARG 9 3.767 3.150 -9.816
96 H MET 10 H MET 10 8.714 0.034 -6.422
97 HA MET 10 HA MET 10 11.050 0.112 -4.677
98 1HB MET 10 2HB MET 10 10.783 1.529 -7.319
99 2HB MET 10 1HB MET 10 12.179 0.688 -6.656
100 1HG MET 10 2HG MET 10 10.266 -1.311 -6.791
101 2HG MET 10 1HG MET 10 9.962 -0.371 -8.252
102 1HE MET 10 3HE MET 10 10.547 -1.417 -10.056
103 2HE MET 10 2HE MET 10 12.003 -2.319 -10.464
104 3HE MET 10 1HE MET 10 10.818 -3.022 -9.366
105 H LYS 11 H LYS 11 12.178 2.080 -4.093
106 HA LYS 11 HA LYS 11 10.801 4.669 -4.408
107 1HB LYS 11 2HB LYS 11 9.551 3.825 -2.569
108 2HB LYS 11 1HB LYS 11 10.981 3.107 -1.826
109 1HG LYS 11 2HG LYS 11 11.890 5.308 -1.330
110 2HG LYS 11 1HG LYS 11 10.564 6.087 -2.193
111 1HD LYS 11 2HD LYS 11 9.016 5.610 -0.531
112 2HD LYS 11 1HD LYS 11 9.903 4.192 0.031
113 1HE LYS 11 2HE LYS 11 11.051 5.424 1.553
114 2HE LYS 11 1HE LYS 11 11.470 6.645 0.335
115 1HZ LYS 11 3HZ LYS 11 8.676 6.485 1.163
116 2HZ LYS 11 2HZ LYS 11 9.766 7.149 2.284
117 3HZ LYS 11 1HZ LYS 11 9.602 7.841 0.741
118 H LYS 12 H LYS 12 12.130 6.414 -3.232
119 HA LYS 12 HA LYS 12 14.927 6.123 -3.897
120 1HB LYS 12 2HB LYS 12 13.737 8.200 -2.060
121 2HB LYS 12 1HB LYS 12 15.050 8.390 -3.218
122 1HG LYS 12 2HG LYS 12 12.883 7.514 -4.759
123 2HG LYS 12 1HG LYS 12 12.187 8.680 -3.635
124 1HD LYS 12 2HD LYS 12 14.687 9.226 -5.254
125 2HD LYS 12 1HD LYS 12 13.069 9.686 -5.785
126 1HE LYS 12 2HE LYS 12 13.023 10.713 -3.273
127 2HE LYS 12 1HE LYS 12 14.753 10.870 -3.642
128 1HZ LYS 12 2HZ LYS 12 14.081 11.798 -5.834
129 2HZ LYS 12 1HZ LYS 12 12.475 11.839 -5.282
130 3HZ LYS 12 3HZ LYS 12 13.657 12.784 -4.517
131 H LEU 13 H LEU 13 16.294 7.248 -1.802
132 HA LEU 13 HA LEU 13 17.009 5.113 -0.144
133 1HB LEU 13 2HB LEU 13 18.174 6.826 1.135
134 2HB LEU 13 1HB LEU 13 18.230 7.263 -0.573
135 HG LEU 13 HG LEU 13 15.828 8.292 0.710
136 1HD1 LEU 13 1HD1 LEU 13 18.369 8.525 2.152
137 2HD1 LEU 13 3HD1 LEU 13 17.659 10.091 1.763
138 3HD1 LEU 13 2HD1 LEU 13 16.734 8.910 2.691
139 1HD2 LEU 13 3HD2 LEU 13 17.118 8.918 -1.488
140 2HD2 LEU 13 2HD2 LEU 13 16.360 10.201 -0.543
141 3HD2 LEU 13 1HD2 LEU 13 18.096 9.920 -0.415
142 H GLY 14 H GLY 14 16.535 4.682 2.116
143 1HA GLY 14 2HA GLY 14 15.256 5.296 4.151
144 2HA GLY 14 1HA GLY 14 13.982 5.890 3.089
145 H ALA 15 H ALA 15 13.069 4.167 1.579
146 HA ALA 15 HA ALA 15 13.312 1.369 2.250
147 1HB ALA 15 3HB ALA 15 12.007 2.913 4.142
148 2HB ALA 15 2HB ALA 15 10.675 2.245 3.198
149 3HB ALA 15 1HB ALA 15 11.840 1.166 3.967
150 HA PRO 16 HA PRO 16 10.720 0.823 -1.258
151 1HB PRO 16 2HB PRO 16 8.928 -1.134 -0.507
152 2HB PRO 16 1HB PRO 16 10.648 -1.450 -0.838
153 1HG PRO 16 2HG PRO 16 9.241 -1.137 1.763
154 2HG PRO 16 1HG PRO 16 10.548 -2.240 1.311
155 1HD PRO 16 2HD PRO 16 10.926 0.042 2.756
156 2HD PRO 16 1HD PRO 16 12.174 -0.688 1.721
157 H SER 17 H SER 17 8.174 0.563 -1.863
158 HA SER 17 HA SER 17 6.598 2.444 -0.141
159 1HB SER 17 2HB SER 17 7.223 2.511 -3.093
160 2HB SER 17 1HB SER 17 5.793 3.318 -2.457
161 HG SER 17 HG SER 17 8.257 3.723 -1.190
162 H ILE 18 H ILE 18 5.205 0.776 0.622
163 HA ILE 18 HA ILE 18 4.037 -1.204 -1.164
164 HB ILE 18 HB ILE 18 4.508 -0.962 1.518
165 1HG1 ILE 18 2HG1 ILE 18 2.388 -2.742 0.285
166 2HG1 ILE 18 1HG1 ILE 18 4.122 -3.034 0.183
167 1HG2 ILE 18 1HG2 ILE 18 1.554 -0.480 1.094
168 2HG2 ILE 18 3HG2 ILE 18 2.253 -1.040 2.613
169 3HG2 ILE 18 2HG2 ILE 18 2.686 0.547 1.976
170 1HD1 ILE 18 2HD1 ILE 18 3.746 -2.609 2.885
171 2HD1 ILE 18 1HD1 ILE 18 2.283 -3.479 2.425
172 3HD1 ILE 18 3HD1 ILE 18 3.867 -4.191 2.112
173 H THR 19 H THR 19 2.512 -0.667 -2.635
174 HA THR 19 HA THR 19 0.588 1.537 -1.983
175 HB THR 19 HB THR 19 1.442 0.339 -4.641
176 HG1 THR 19 HG1 THR 19 2.128 2.879 -3.646
177 1HG2 THR 19 2HG2 THR 19 -0.340 2.630 -3.840
178 2HG2 THR 19 1HG2 THR 19 0.471 2.621 -5.406
179 3HG2 THR 19 3HG2 THR 19 -0.661 1.334 -4.991
180 H CYS 20 H CYS 20 -1.594 1.117 -3.247
181 HA CYS 20 HA CYS 20 -2.663 -1.434 -2.291
182 1HB CYS 20 2HB CYS 20 -3.886 0.705 -2.178
183 2HB CYS 20 1HB CYS 20 -3.828 0.841 -3.936
184 H VAL 21 H VAL 21 -2.837 -3.294 -3.526
185 HA VAL 21 HA VAL 21 -2.637 -2.997 -6.494
186 HB VAL 21 HB VAL 21 -0.974 -4.623 -6.574
187 1HG1 VAL 21 1HG1 VAL 21 -0.741 -3.565 -3.744
188 2HG1 VAL 21 3HG1 VAL 21 0.544 -4.415 -4.602
189 3HG1 VAL 21 2HG1 VAL 21 -0.030 -2.855 -5.194
190 1HG2 VAL 21 3HG2 VAL 21 -2.396 -5.768 -4.185
191 2HG2 VAL 21 2HG2 VAL 21 -2.005 -6.540 -5.722
192 3HG2 VAL 21 1HG2 VAL 21 -0.737 -6.262 -4.529
193 H ARG 22 H ARG 22 -4.915 -3.309 -4.623
194 HA ARG 22 HA ARG 22 -6.362 -5.358 -6.141
195 1HB ARG 22 2HB ARG 22 -4.972 -6.499 -4.309
196 2HB ARG 22 1HB ARG 22 -6.053 -5.718 -3.154
197 1HG ARG 22 2HG ARG 22 -7.469 -7.447 -3.445
198 2HG ARG 22 1HG ARG 22 -7.752 -6.846 -5.080
199 1HD ARG 22 2HD ARG 22 -5.348 -8.578 -4.503
200 2HD ARG 22 1HD ARG 22 -6.934 -9.308 -4.824
201 HE ARG 22 HE ARG 22 -6.449 -7.281 -6.779
202 1HH1 ARG 22 2HH1 ARG 22 -4.489 -9.854 -5.795
203 2HH1 ARG 22 1HH1 ARG 22 -4.377 -10.585 -7.361
204 1HH2 ARG 22 1HH2 ARG 22 -6.693 -8.451 -8.813
205 2HH2 ARG 22 2HH2 ARG 22 -5.625 -9.791 -9.070
206 H ARG 23 H ARG 23 -8.687 -5.317 -5.614
207 HA ARG 23 HA ARG 23 -9.494 -2.732 -4.349
208 1HB ARG 23 2HB ARG 23 -10.543 -4.540 -6.501
209 2HB ARG 23 1HB ARG 23 -11.683 -3.507 -5.637
210 1HG ARG 23 2HG ARG 23 -9.391 -1.931 -6.263
211 2HG ARG 23 1HG ARG 23 -9.878 -2.780 -7.728
212 1HD ARG 23 2HD ARG 23 -12.233 -1.810 -6.366
213 2HD ARG 23 1HD ARG 23 -11.096 -0.474 -6.634
214 HE ARG 23 HE ARG 23 -11.648 -2.340 -8.888
215 1HH1 ARG 23 1HH2 ARG 23 -10.133 0.345 -8.969
216 2HH1 ARG 23 2HH2 ARG 23 -11.317 1.353 -9.732
217 1HH2 ARG 23 2HH1 ARG 23 -13.932 -0.863 -9.203
218 2HH2 ARG 23 1HH1 ARG 23 -13.468 0.669 -9.864
219 H ALA 24 H ALA 24 -11.332 -2.771 -2.890
220 HA ALA 24 HA ALA 24 -12.602 -5.216 -2.024
221 1HB ALA 24 2HB ALA 24 -9.980 -4.461 -0.946
222 2HB ALA 24 1HB ALA 24 -11.190 -4.705 0.314
223 3HB ALA 24 3HB ALA 24 -10.835 -6.000 -0.830
224 H PHE 25 HN PHE 25 -14.237 -3.400 -2.391
225 HA PHE 25 HA PHE 25 -14.552 -1.031 -1.037
226 1HB PHE 25 2HB PHE 25 -17.019 -1.659 -1.041
227 2HB PHE 25 1HB PHE 25 -16.195 -1.874 -2.585
228 HD1 PHE 25 HD2 PHE 25 -17.486 -3.630 0.415
229 HD2 PHE 25 HD1 PHE 25 -15.850 -4.056 -3.534
230 HE1 PHE 25 HE2 PHE 25 -18.089 -6.035 0.426
231 HE2 PHE 25 HE1 PHE 25 -16.454 -6.462 -3.524
232 HZ PHE 25 HZ PHE 25 -17.573 -7.451 -1.544
No H/Q in entry = 232
Start of MODEL 4
1 1H PHE 1 2H PHE 1 -8.201 2.553 2.696
2 2H PHE 1 1H PHE 1 -8.633 3.931 1.803
3 3H PHE 1 3H PHE 1 -9.768 3.195 2.826
4 HA PHE 1 HA PHE 1 -10.420 2.416 0.751
5 1HB PHE 1 2HB PHE 1 -8.250 3.495 -0.140
6 2HB PHE 1 1HB PHE 1 -7.508 1.915 0.112
7 HD1 PHE 1 HD1 PHE 1 -10.390 3.601 -1.568
8 HD2 PHE 1 HD2 PHE 1 -7.775 0.194 -1.477
9 HE1 PHE 1 HE1 PHE 1 -11.352 2.805 -3.712
10 HE2 PHE 1 HE2 PHE 1 -8.737 -0.601 -3.621
11 HZ PHE 1 HZ PHE 1 -10.525 0.704 -4.738
12 H LYS 2 H LYS 2 -10.677 0.154 0.083
13 HA LYS 2 HA LYS 2 -9.737 -1.747 2.181
14 1HB LYS 2 2HB LYS 2 -12.104 -1.331 0.496
15 2HB LYS 2 1HB LYS 2 -11.581 -3.016 0.539
16 1HG LYS 2 2HG LYS 2 -13.002 -2.872 2.403
17 2HG LYS 2 1HG LYS 2 -11.403 -2.646 3.115
18 1HD LYS 2 2HD LYS 2 -12.517 -0.125 2.178
19 2HD LYS 2 1HD LYS 2 -13.577 -0.904 3.352
20 1HE LYS 2 2HE LYS 2 -11.024 -1.261 4.431
21 2HE LYS 2 1HE LYS 2 -11.003 0.396 3.794
22 1HZ LYS 2 3HZ LYS 2 -13.380 0.462 4.806
23 2HZ LYS 2 2HZ LYS 2 -12.809 -0.805 5.783
24 3HZ LYS 2 1HZ LYS 2 -12.037 0.708 5.810
25 H CYS 3 H CYS 3 -7.902 -2.857 1.615
26 HA CYS 3 HA CYS 3 -7.600 -3.715 -1.249
27 1HB CYS 3 2HB CYS 3 -6.049 -1.941 0.050
28 2HB CYS 3 1HB CYS 3 -5.245 -3.427 0.547
29 H ARG 4 H ARG 4 -5.354 -5.341 -0.740
30 HA ARG 4 HA ARG 4 -6.266 -7.371 1.235
31 1HB ARG 4 2HB ARG 4 -7.441 -8.099 -0.664
32 2HB ARG 4 1HB ARG 4 -6.147 -7.618 -1.759
33 1HG ARG 4 2HG ARG 4 -5.321 -9.626 0.222
34 2HG ARG 4 1HG ARG 4 -6.582 -10.190 -0.876
35 1HD ARG 4 2HD ARG 4 -4.835 -8.835 -2.569
36 2HD ARG 4 1HD ARG 4 -3.755 -9.669 -1.434
37 HE ARG 4 HE ARG 4 -5.666 -10.976 -3.267
38 1HH1 ARG 4 2HH1 ARG 4 -4.074 -11.232 -0.245
39 2HH1 ARG 4 1HH1 ARG 4 -3.692 -12.912 -0.427
40 1HH2 ARG 4 1HH2 ARG 4 -4.964 -13.125 -3.646
41 2HH2 ARG 4 2HH2 ARG 4 -4.197 -13.983 -2.352
42 H ARG 5 H ARG 5 -3.755 -6.260 -1.025
43 HA ARG 5 HA ARG 5 -1.717 -7.440 0.787
44 1HB ARG 5 2HB ARG 5 -2.094 -9.251 -0.700
45 2HB ARG 5 1HB ARG 5 -2.211 -8.180 -2.097
46 1HG ARG 5 2HG ARG 5 0.123 -7.745 -2.095
47 2HG ARG 5 1HG ARG 5 0.322 -8.392 -0.466
48 1HD ARG 5 2HD ARG 5 -0.761 -10.223 -2.582
49 2HD ARG 5 1HD ARG 5 0.979 -9.873 -2.572
50 HE ARG 5 HE ARG 5 -0.528 -11.128 -0.327
51 1HH1 ARG 5 2HH1 ARG 5 1.160 -10.402 1.471
52 2HH1 ARG 5 1HH1 ARG 5 2.729 -11.063 1.156
53 1HH2 ARG 5 1HH2 ARG 5 2.033 -11.831 -2.153
54 2HH2 ARG 5 2HH2 ARG 5 3.224 -11.872 -0.896
55 H TRP 6 H TRP 6 -1.040 -5.251 1.202
56 HA TRP 6 HA TRP 6 -0.378 -3.390 -0.881
57 1HB TRP 6 2HB TRP 6 0.372 -3.681 2.040
58 2HB TRP 6 1HB TRP 6 0.712 -2.242 1.077
59 HD1 TRP 6 HD1 TRP 6 -2.212 -4.285 2.409
60 HE1 TRP 6 HE1 TRP 6 -4.313 -2.789 2.371
61 HE3 TRP 6 HE3 TRP 6 -0.301 -0.250 0.063
62 HZ2 TRP 6 HZ2 TRP 6 -5.071 -0.164 1.454
63 HZ3 TRP 6 HZ3 TRP 6 -1.700 1.760 -0.398
64 HH2 TRP 6 HH2 TRP 6 -4.085 1.802 0.296
65 H GLN 7 H GLN 7 1.213 -4.040 -2.354
66 HA GLN 7 HA GLN 7 3.582 -5.540 -1.399
67 1HB GLN 7 2HB GLN 7 2.614 -6.353 -3.403
68 2HB GLN 7 1HB GLN 7 2.408 -4.730 -4.060
69 1HG GLN 7 2HG GLN 7 4.704 -4.497 -4.537
70 2HG GLN 7 1HG GLN 7 5.155 -5.803 -3.440
71 1HE2 GLN 7 2HE2 GLN 7 4.902 -6.827 -7.183
72 2HE2 GLN 7 1HE2 GLN 7 5.437 -5.351 -6.537
73 H TRP 8 H TRP 8 5.134 -4.226 -0.481
74 HA TRP 8 HA TRP 8 5.558 -1.494 -0.770
75 1HB TRP 8 2HB TRP 8 7.255 -3.886 -0.181
76 2HB TRP 8 1HB TRP 8 8.040 -2.313 -0.343
77 HD1 TRP 8 HD1 TRP 8 6.133 -4.380 2.026
78 HE1 TRP 8 HE1 TRP 8 5.517 -3.032 4.126
79 HE3 TRP 8 HE3 TRP 8 7.274 0.284 0.413
80 HZ2 TRP 8 HZ2 TRP 8 5.520 -0.308 5.014
81 HZ3 TRP 8 HZ3 TRP 8 6.968 2.256 1.887
82 HH2 TRP 8 HH2 TRP 8 6.088 1.963 4.188
83 H ARG 9 H ARG 9 5.527 -0.579 -2.853
84 HA ARG 9 HA ARG 9 6.921 -1.816 -5.107
85 1HB ARG 9 2HB ARG 9 5.414 0.738 -4.548
86 2HB ARG 9 1HB ARG 9 6.266 0.519 -6.077
87 1HG ARG 9 2HG ARG 9 4.699 -1.835 -5.378
88 2HG ARG 9 1HG ARG 9 3.693 -0.390 -5.480
89 1HD ARG 9 2HD ARG 9 5.617 -0.456 -7.662
90 2HD ARG 9 1HD ARG 9 4.605 -1.914 -7.650
91 HE ARG 9 HE ARG 9 2.954 0.361 -7.123
92 1HH1 ARG 9 2HH1 ARG 9 5.185 -0.068 -9.606
93 2HH1 ARG 9 1HH1 ARG 9 4.036 0.066 -10.895
94 1HH2 ARG 9 1HH2 ARG 9 1.279 0.074 -8.792
95 2HH2 ARG 9 2HH2 ARG 9 1.825 0.147 -10.434
96 H MET 10 H MET 10 8.334 0.063 -6.372
97 HA MET 10 HA MET 10 10.676 0.450 -4.649
98 1HB MET 10 2HB MET 10 10.376 1.542 -7.430
99 2HB MET 10 1HB MET 10 11.787 0.815 -6.672
100 1HG MET 10 2HG MET 10 10.371 -1.364 -6.617
101 2HG MET 10 1HG MET 10 9.361 -0.556 -7.816
102 1HE MET 10 3HE MET 10 9.744 -2.540 -9.147
103 2HE MET 10 2HE MET 10 9.825 -1.240 -10.334
104 3HE MET 10 1HE MET 10 10.972 -2.575 -10.420
105 H LYS 11 H LYS 11 11.639 2.514 -4.237
106 HA LYS 11 HA LYS 11 10.182 4.989 -4.909
107 1HB LYS 11 2HB LYS 11 9.706 3.495 -2.503
108 2HB LYS 11 1HB LYS 11 10.477 5.025 -2.084
109 1HG LYS 11 2HG LYS 11 8.755 6.054 -3.767
110 2HG LYS 11 1HG LYS 11 7.867 4.555 -3.493
111 1HD LYS 11 2HD LYS 11 7.740 4.973 -1.124
112 2HD LYS 11 1HD LYS 11 8.851 6.337 -1.251
113 1HE LYS 11 2HE LYS 11 6.830 6.967 -3.073
114 2HE LYS 11 1HE LYS 11 5.965 6.282 -1.682
115 1HZ LYS 11 1HZ LYS 11 7.296 7.697 -0.222
116 2HZ LYS 11 3HZ LYS 11 8.058 8.390 -1.569
117 3HZ LYS 11 2HZ LYS 11 6.393 8.627 -1.321
118 H LYS 12 H LYS 12 11.359 6.492 -2.794
119 HA LYS 12 HA LYS 12 13.850 7.247 -3.863
120 1HB LYS 12 2HB LYS 12 13.128 7.388 -0.932
121 2HB LYS 12 1HB LYS 12 14.083 8.534 -1.866
122 1HG LYS 12 2HG LYS 12 11.591 8.309 -3.193
123 2HG LYS 12 1HG LYS 12 11.230 8.482 -1.475
124 1HD LYS 12 2HD LYS 12 12.988 10.311 -3.138
125 2HD LYS 12 1HD LYS 12 11.396 10.697 -2.483
126 1HE LYS 12 2HE LYS 12 12.307 10.348 -0.171
127 2HE LYS 12 1HE LYS 12 13.917 10.124 -0.885
128 1HZ LYS 12 2HZ LYS 12 12.344 12.436 -1.746
129 2HZ LYS 12 1HZ LYS 12 13.050 12.504 -0.202
130 3HZ LYS 12 3HZ LYS 12 14.027 12.277 -1.570
131 H LEU 13 H LEU 13 15.727 7.220 -1.859
132 HA LEU 13 HA LEU 13 16.898 4.609 -2.143
133 1HB LEU 13 2HB LEU 13 18.731 5.649 -0.896
134 2HB LEU 13 1HB LEU 13 18.107 6.782 -2.096
135 HG LEU 13 HG LEU 13 16.544 7.144 0.238
136 1HD1 LEU 13 2HD1 LEU 13 19.527 7.103 0.797
137 2HD1 LEU 13 1HD1 LEU 13 18.295 7.738 1.888
138 3HD1 LEU 13 3HD1 LEU 13 18.329 6.017 1.503
139 1HD2 LEU 13 2HD2 LEU 13 18.768 8.748 -1.057
140 2HD2 LEU 13 1HD2 LEU 13 17.034 8.911 -1.339
141 3HD2 LEU 13 3HD2 LEU 13 17.723 9.382 0.215
142 H GLY 14 H GLY 14 17.023 2.947 -0.648
143 1HA GLY 14 2HA GLY 14 16.275 1.644 1.166
144 2HA GLY 14 1HA GLY 14 16.871 3.007 2.106
145 H ALA 15 H ALA 15 14.079 2.792 -0.097
146 HA ALA 15 HA ALA 15 12.173 2.890 2.123
147 1HB ALA 15 1HB ALA 15 13.184 5.301 0.724
148 2HB ALA 15 3HB ALA 15 11.437 5.232 0.963
149 3HB ALA 15 2HB ALA 15 12.522 5.140 2.350
150 HA PRO 16 HA PRO 16 10.296 1.211 -1.641
151 1HB PRO 16 2HB PRO 16 8.723 -0.603 -0.314
152 2HB PRO 16 1HB PRO 16 10.431 -0.899 -0.705
153 1HG PRO 16 2HG PRO 16 9.184 -0.128 1.872
154 2HG PRO 16 1HG PRO 16 10.586 -1.159 1.558
155 1HD PRO 16 2HD PRO 16 10.703 1.476 2.407
156 2HD PRO 16 1HD PRO 16 12.028 0.592 1.620
157 H SER 17 H SER 17 7.737 0.762 -1.943
158 HA SER 17 HA SER 17 6.173 2.805 -0.415
159 1HB SER 17 2HB SER 17 5.252 3.111 -2.964
160 2HB SER 17 1HB SER 17 6.530 4.102 -2.268
161 HG SER 17 HG SER 17 6.706 2.567 -4.360
162 H ILE 18 H ILE 18 4.933 1.130 0.602
163 HA ILE 18 HA ILE 18 3.777 -1.063 -0.917
164 HB ILE 18 HB ILE 18 4.345 -0.508 1.707
165 1HG1 ILE 18 2HG1 ILE 18 2.320 -2.538 0.725
166 2HG1 ILE 18 1HG1 ILE 18 4.066 -2.724 0.613
167 1HG2 ILE 18 3HG2 ILE 18 1.348 -0.263 1.357
168 2HG2 ILE 18 2HG2 ILE 18 2.134 -0.614 2.897
169 3HG2 ILE 18 1HG2 ILE 18 2.435 0.921 2.083
170 1HD1 ILE 18 1HD1 ILE 18 3.718 -2.058 3.265
171 2HD1 ILE 18 3HD1 ILE 18 2.298 -3.050 2.935
172 3HD1 ILE 18 2HD1 ILE 18 3.913 -3.701 2.653
173 H THR 19 H THR 19 2.114 -0.785 -2.322
174 HA THR 19 HA THR 19 0.106 1.371 -1.751
175 HB THR 19 HB THR 19 1.237 1.902 -3.757
176 HG1 THR 19 HG1 THR 19 -0.330 1.063 -5.424
177 1HG2 THR 19 3HG2 THR 19 1.085 -1.052 -4.396
178 2HG2 THR 19 2HG2 THR 19 1.661 0.171 -5.528
179 3HG2 THR 19 1HG2 THR 19 2.537 -0.123 -4.025
180 H CYS 20 H CYS 20 -2.049 0.767 -2.983
181 HA CYS 20 HA CYS 20 -2.956 -1.792 -1.880
182 1HB CYS 20 2HB CYS 20 -4.313 0.273 -1.848
183 2HB CYS 20 1HB CYS 20 -4.292 0.319 -3.610
184 H VAL 21 H VAL 21 -2.639 -3.684 -3.016
185 HA VAL 21 HA VAL 21 -2.505 -3.505 -5.991
186 HB VAL 21 HB VAL 21 -0.917 -5.227 -5.905
187 1HG1 VAL 21 1HG1 VAL 21 -0.723 -3.863 -3.202
188 2HG1 VAL 21 3HG1 VAL 21 0.562 -4.828 -3.927
189 3HG1 VAL 21 2HG1 VAL 21 0.036 -3.334 -4.704
190 1HG2 VAL 21 1HG2 VAL 21 -2.255 -6.034 -3.310
191 2HG2 VAL 21 3HG2 VAL 21 -2.205 -6.937 -4.824
192 3HG2 VAL 21 2HG2 VAL 21 -0.739 -6.746 -3.863
193 H ARG 22 H ARG 22 -4.889 -3.713 -4.236
194 HA ARG 22 HA ARG 22 -6.311 -5.752 -5.784
195 1HB ARG 22 2HB ARG 22 -5.098 -6.971 -3.932
196 2HB ARG 22 1HB ARG 22 -6.064 -6.051 -2.777
197 1HG ARG 22 2HG ARG 22 -7.573 -7.732 -2.966
198 2HG ARG 22 1HG ARG 22 -7.978 -7.005 -4.521
199 1HD ARG 22 2HD ARG 22 -5.710 -8.527 -5.091
200 2HD ARG 22 1HD ARG 22 -6.647 -9.546 -3.981
201 HE ARG 22 HE ARG 22 -8.154 -9.829 -5.770
202 1HH1 ARG 22 1HH2 ARG 22 -9.757 -7.625 -5.880
203 2HH1 ARG 22 2HH2 ARG 22 -9.281 -6.703 -7.266
204 1HH2 ARG 22 2HH1 ARG 22 -6.195 -8.253 -7.567
205 2HH2 ARG 22 1HH1 ARG 22 -7.264 -7.059 -8.222
206 H ARG 23 H ARG 23 -8.112 -4.516 -6.281
207 HA ARG 23 HA ARG 23 -9.166 -2.623 -4.255
208 1HB ARG 23 2HB ARG 23 -9.826 -3.180 -7.168
209 2HB ARG 23 1HB ARG 23 -10.492 -1.854 -6.219
210 1HG ARG 23 2HG ARG 23 -8.160 -1.042 -5.805
211 2HG ARG 23 1HG ARG 23 -7.574 -2.297 -6.897
212 1HD ARG 23 2HD ARG 23 -8.077 -1.025 -8.704
213 2HD ARG 23 1HD ARG 23 -9.741 -0.797 -8.130
214 HE ARG 23 HE ARG 23 -8.971 1.113 -6.808
215 1HH1 ARG 23 1HH2 ARG 23 -6.279 -0.547 -8.037
216 2HH1 ARG 23 2HH2 ARG 23 -5.358 0.878 -8.385
217 1HH2 ARG 23 2HH1 ARG 23 -7.945 3.056 -7.618
218 2HH2 ARG 23 1HH1 ARG 23 -6.302 2.919 -8.148
219 H ALA 24 H ALA 24 -9.629 -5.113 -3.302
220 HA ALA 24 HA ALA 24 -11.986 -6.456 -4.239
221 1HB ALA 24 3HB ALA 24 -10.220 -7.366 -2.730
222 2HB ALA 24 2HB ALA 24 -10.780 -6.281 -1.458
223 3HB ALA 24 1HB ALA 24 -11.836 -7.563 -2.052
224 H PHE 25 HN PHE 25 -14.142 -5.990 -3.875
225 HA PHE 25 HA PHE 25 -15.122 -4.523 -1.625
226 1HB PHE 25 2HB PHE 25 -13.993 -3.062 -3.794
227 2HB PHE 25 1HB PHE 25 -15.732 -2.789 -3.785
228 HD1 PHE 25 HD2 PHE 25 -16.263 -3.131 -0.844
229 HD2 PHE 25 HD1 PHE 25 -13.187 -0.984 -2.937
230 HE1 PHE 25 HE2 PHE 25 -16.018 -1.597 1.090
231 HE2 PHE 25 HE1 PHE 25 -12.942 0.550 -1.004
232 HZ PHE 25 HZ PHE 25 -14.358 0.243 1.009
No H/Q in entry = 232
Start of MODEL 5
1 1H PHE 1 1H PHE 1 -7.021 3.494 1.345
2 2H PHE 1 3H PHE 1 -6.708 3.434 -0.322
3 3H PHE 1 2H PHE 1 -7.887 4.499 0.282
4 HA PHE 1 HA PHE 1 -9.453 2.879 0.536
5 1HB PHE 1 2HB PHE 1 -8.389 3.079 -1.824
6 2HB PHE 1 1HB PHE 1 -7.658 1.513 -1.472
7 HD1 PHE 1 HD2 PHE 1 -10.988 3.237 -1.298
8 HD2 PHE 1 HD1 PHE 1 -8.849 -0.421 -2.001
9 HE1 PHE 1 HE2 PHE 1 -13.115 2.107 -1.890
10 HE2 PHE 1 HE1 PHE 1 -10.975 -1.551 -2.594
11 HZ PHE 1 HZ PHE 1 -13.108 -0.287 -2.539
12 H LYS 2 H LYS 2 -10.018 0.851 1.439
13 HA LYS 2 HA LYS 2 -8.002 -0.430 3.108
14 1HB LYS 2 2HB LYS 2 -10.864 -0.264 2.814
15 2HB LYS 2 1HB LYS 2 -10.391 -1.959 2.945
16 1HG LYS 2 2HG LYS 2 -9.063 -1.408 4.974
17 2HG LYS 2 1HG LYS 2 -9.622 0.260 4.863
18 1HD LYS 2 2HD LYS 2 -11.670 -0.245 5.701
19 2HD LYS 2 1HD LYS 2 -11.788 -1.729 4.755
20 1HE LYS 2 2HE LYS 2 -11.540 -2.730 6.813
21 2HE LYS 2 1HE LYS 2 -9.818 -2.409 6.532
22 1HZ LYS 2 1HZ LYS 2 -11.586 -0.328 7.656
23 2HZ LYS 2 3HZ LYS 2 -10.873 -1.489 8.667
24 3HZ LYS 2 2HZ LYS 2 -9.894 -0.450 7.748
25 H CYS 3 H CYS 3 -6.618 -1.024 1.120
26 HA CYS 3 HA CYS 3 -7.535 -3.085 -0.703
27 1HB CYS 3 2HB CYS 3 -5.518 -1.312 -0.657
28 2HB CYS 3 1HB CYS 3 -4.652 -2.721 -0.053
29 H ARG 4 H ARG 4 -5.436 -4.906 -0.622
30 HA ARG 4 HA ARG 4 -5.567 -6.189 2.062
31 1HB ARG 4 2HB ARG 4 -6.240 -8.300 0.871
32 2HB ARG 4 1HB ARG 4 -7.452 -7.024 0.788
33 1HG ARG 4 2HG ARG 4 -7.354 -7.726 -1.435
34 2HG ARG 4 1HG ARG 4 -6.224 -6.374 -1.435
35 1HD ARG 4 2HD ARG 4 -4.695 -7.832 -2.277
36 2HD ARG 4 1HD ARG 4 -4.665 -8.576 -0.667
37 HE ARG 4 HE ARG 4 -6.703 -9.403 -2.695
38 1HH1 ARG 4 2HH1 ARG 4 -7.063 -10.814 -0.243
39 2HH1 ARG 4 1HH1 ARG 4 -6.019 -12.191 -0.363
40 1HH2 ARG 4 1HH2 ARG 4 -4.115 -10.856 -2.935
41 2HH2 ARG 4 2HH2 ARG 4 -4.350 -12.215 -1.887
42 H ARG 5 H ARG 5 -4.100 -6.078 -1.168
43 HA ARG 5 HA ARG 5 -1.745 -7.577 -0.071
44 1HB ARG 5 2HB ARG 5 -2.986 -8.722 -1.852
45 2HB ARG 5 1HB ARG 5 -2.826 -7.306 -2.889
46 1HG ARG 5 2HG ARG 5 -0.941 -8.297 -3.662
47 2HG ARG 5 1HG ARG 5 -0.214 -7.791 -2.137
48 1HD ARG 5 2HD ARG 5 -1.770 -10.364 -2.223
49 2HD ARG 5 1HD ARG 5 -0.100 -10.332 -2.822
50 HE ARG 5 HE ARG 5 -0.939 -9.747 -0.034
51 1HH1 ARG 5 2HH1 ARG 5 1.345 -11.192 -1.980
52 2HH1 ARG 5 1HH1 ARG 5 2.726 -10.644 -1.089
53 1HH2 ARG 5 1HH2 ARG 5 0.903 -8.487 0.922
54 2HH2 ARG 5 2HH2 ARG 5 2.475 -9.113 0.554
55 H TRP 6 H TRP 6 -1.074 -5.327 0.723
56 HA TRP 6 HA TRP 6 -0.363 -3.304 -1.197
57 1HB TRP 6 2HB TRP 6 0.399 -3.851 1.685
58 2HB TRP 6 1HB TRP 6 0.724 -2.339 0.839
59 HD1 TRP 6 HD1 TRP 6 -2.243 -4.527 1.875
60 HE1 TRP 6 HE1 TRP 6 -4.308 -3.003 2.093
61 HE3 TRP 6 HE3 TRP 6 -0.226 -0.192 0.287
62 HZ2 TRP 6 HZ2 TRP 6 -5.002 -0.242 1.654
63 HZ3 TRP 6 HZ3 TRP 6 -1.575 1.902 0.183
64 HH2 TRP 6 HH2 TRP 6 -3.964 1.876 0.865
65 H GLN 7 H GLN 7 1.107 -4.171 -2.752
66 HA GLN 7 HA GLN 7 3.477 -5.679 -1.864
67 1HB GLN 7 2HB GLN 7 2.372 -6.329 -3.905
68 2HB GLN 7 1HB GLN 7 2.419 -4.676 -4.520
69 1HG GLN 7 2HG GLN 7 4.367 -5.204 -5.523
70 2HG GLN 7 1HG GLN 7 5.087 -5.283 -3.915
71 1HE2 GLN 7 2HE2 GLN 7 4.009 -8.786 -5.779
72 2HE2 GLN 7 1HE2 GLN 7 3.292 -7.330 -6.273
73 H TRP 8 H TRP 8 4.895 -4.293 -0.760
74 HA TRP 8 HA TRP 8 5.422 -1.612 -1.006
75 1HB TRP 8 2HB TRP 8 7.088 -4.042 -0.499
76 2HB TRP 8 1HB TRP 8 7.897 -2.478 -0.615
77 HD1 TRP 8 HD1 TRP 8 5.973 -4.589 1.697
78 HE1 TRP 8 HE1 TRP 8 5.383 -3.299 3.840
79 HE3 TRP 8 HE3 TRP 8 7.166 0.112 0.224
80 HZ2 TRP 8 HZ2 TRP 8 5.423 -0.605 4.812
81 HZ3 TRP 8 HZ3 TRP 8 6.892 2.039 1.761
82 HH2 TRP 8 HH2 TRP 8 6.017 1.684 4.056
83 H ARG 9 H ARG 9 5.424 -0.605 -3.040
84 HA ARG 9 HA ARG 9 6.795 -1.773 -5.346
85 1HB ARG 9 2HB ARG 9 5.334 0.780 -4.678
86 2HB ARG 9 1HB ARG 9 6.192 0.620 -6.210
87 1HG ARG 9 2HG ARG 9 4.896 -1.395 -6.750
88 2HG ARG 9 1HG ARG 9 4.056 -1.283 -5.202
89 1HD ARG 9 2HD ARG 9 2.510 -0.144 -6.485
90 2HD ARG 9 1HD ARG 9 3.597 1.221 -6.163
91 HE ARG 9 HE ARG 9 4.814 0.336 -8.322
92 1HH1 ARG 9 1HH2 ARG 9 3.200 -1.586 -9.493
93 2HH1 ARG 9 2HH2 ARG 9 1.958 -0.736 -10.349
94 1HH2 ARG 9 2HH1 ARG 9 2.447 2.240 -8.638
95 2HH2 ARG 9 1HH1 ARG 9 1.532 1.431 -9.865
96 H MET 10 H MET 10 8.220 0.206 -6.512
97 HA MET 10 HA MET 10 10.568 0.443 -4.755
98 1HB MET 10 2HB MET 10 10.291 1.614 -7.510
99 2HB MET 10 1HB MET 10 11.707 0.899 -6.753
100 1HG MET 10 2HG MET 10 9.277 -0.538 -7.836
101 2HG MET 10 1HG MET 10 10.951 -0.703 -8.358
102 1HE MET 10 2HE MET 10 11.523 -2.691 -8.325
103 2HE MET 10 1HE MET 10 11.764 -3.810 -6.985
104 3HE MET 10 3HE MET 10 10.188 -3.704 -7.782
105 H LYS 11 H LYS 11 11.581 2.479 -4.292
106 HA LYS 11 HA LYS 11 10.169 5.001 -4.873
107 1HB LYS 11 2HB LYS 11 9.635 3.434 -2.534
108 2HB LYS 11 1HB LYS 11 10.459 4.914 -2.041
109 1HG LYS 11 2HG LYS 11 8.769 6.039 -3.740
110 2HG LYS 11 1HG LYS 11 7.819 4.590 -3.413
111 1HD LYS 11 2HD LYS 11 7.717 5.060 -1.078
112 2HD LYS 11 1HD LYS 11 8.977 6.288 -1.197
113 1HE LYS 11 2HE LYS 11 7.034 7.160 -3.006
114 2HE LYS 11 1HE LYS 11 6.104 6.572 -1.613
115 1HZ LYS 11 1HZ LYS 11 7.909 7.764 -0.251
116 2HZ LYS 11 3HZ LYS 11 8.235 8.614 -1.683
117 3HZ LYS 11 2HZ LYS 11 6.694 8.708 -0.973
118 H LYS 12 H LYS 12 11.363 6.397 -2.691
119 HA LYS 12 HA LYS 12 13.867 7.158 -3.723
120 1HB LYS 12 2HB LYS 12 13.139 7.185 -0.789
121 2HB LYS 12 1HB LYS 12 14.115 8.355 -1.671
122 1HG LYS 12 2HG LYS 12 11.894 8.599 -3.116
123 2HG LYS 12 1HG LYS 12 11.144 8.025 -1.626
124 1HD LYS 12 2HD LYS 12 13.192 10.124 -1.257
125 2HD LYS 12 1HD LYS 12 11.740 10.644 -2.114
126 1HE LYS 12 2HE LYS 12 11.164 10.993 0.153
127 2HE LYS 12 1HE LYS 12 10.473 9.392 -0.175
128 1HZ LYS 12 1HZ LYS 12 12.918 8.665 0.419
129 2HZ LYS 12 3HZ LYS 12 12.886 10.098 1.324
130 3HZ LYS 12 2HZ LYS 12 11.743 8.878 1.627
131 H LEU 13 H LEU 13 15.739 7.018 -1.717
132 HA LEU 13 HA LEU 13 16.875 4.408 -2.111
133 1HB LEU 13 2HB LEU 13 18.702 5.369 -0.771
134 2HB LEU 13 1HB LEU 13 18.133 6.535 -1.966
135 HG LEU 13 HG LEU 13 16.531 6.837 0.377
136 1HD1 LEU 13 1HD1 LEU 13 18.850 5.737 1.213
137 2HD1 LEU 13 3HD1 LEU 13 19.347 7.427 1.134
138 3HD1 LEU 13 2HD1 LEU 13 17.984 6.955 2.150
139 1HD2 LEU 13 3HD2 LEU 13 18.236 8.391 -1.424
140 2HD2 LEU 13 2HD2 LEU 13 16.744 8.865 -0.609
141 3HD2 LEU 13 1HD2 LEU 13 18.290 8.992 0.233
142 H GLY 14 H GLY 14 16.963 2.675 -0.698
143 1HA GLY 14 2HA GLY 14 16.188 1.299 1.049
144 2HA GLY 14 1HA GLY 14 16.799 2.608 2.056
145 H ALA 15 H ALA 15 14.015 2.536 -0.167
146 HA ALA 15 HA ALA 15 12.102 2.565 2.050
147 1HB ALA 15 3HB ALA 15 13.288 4.893 1.744
148 2HB ALA 15 2HB ALA 15 12.198 5.052 0.367
149 3HB ALA 15 1HB ALA 15 11.543 4.835 1.991
150 HA PRO 16 HA PRO 16 10.213 1.064 -1.782
151 1HB PRO 16 2HB PRO 16 8.605 -0.774 -0.531
152 2HB PRO 16 1HB PRO 16 10.310 -1.081 -0.926
153 1HG PRO 16 2HG PRO 16 9.064 -0.391 1.674
154 2HG PRO 16 1HG PRO 16 10.451 -1.432 1.324
155 1HD PRO 16 2HD PRO 16 10.606 1.167 2.275
156 2HD PRO 16 1HD PRO 16 11.920 0.292 1.461
157 H SER 17 H SER 17 7.649 0.669 -2.111
158 HA SER 17 HA SER 17 6.122 2.701 -0.528
159 1HB SER 17 2HB SER 17 7.092 2.885 -3.216
160 2HB SER 17 1HB SER 17 5.336 2.766 -3.278
161 HG SER 17 HG SER 17 5.159 4.610 -2.197
162 H ILE 18 H ILE 18 4.857 1.040 0.477
163 HA ILE 18 HA ILE 18 3.649 -1.104 -1.081
164 HB ILE 18 HB ILE 18 4.259 -0.597 1.560
165 1HG1 ILE 18 2HG1 ILE 18 2.329 -2.651 0.448
166 2HG1 ILE 18 1HG1 ILE 18 4.085 -2.796 0.491
167 1HG2 ILE 18 1HG2 ILE 18 2.204 0.793 1.805
168 2HG2 ILE 18 3HG2 ILE 18 1.239 -0.611 1.352
169 3HG2 ILE 18 2HG2 ILE 18 2.189 -0.637 2.837
170 1HD1 ILE 18 2HD1 ILE 18 3.601 -2.240 3.098
171 2HD1 ILE 18 1HD1 ILE 18 2.109 -3.085 2.685
172 3HD1 ILE 18 3HD1 ILE 18 3.667 -3.883 2.459
173 H THR 19 H THR 19 2.006 -0.707 -2.486
174 HA THR 19 HA THR 19 0.045 1.465 -1.828
175 HB THR 19 HB THR 19 1.461 1.684 -3.883
176 HG1 THR 19 HG1 THR 19 -0.718 2.485 -3.776
177 1HG2 THR 19 2HG2 THR 19 0.159 -0.968 -4.467
178 2HG2 THR 19 1HG2 THR 19 0.714 0.075 -5.778
179 3HG2 THR 19 3HG2 THR 19 1.863 -0.526 -4.581
180 H CYS 20 H CYS 20 -1.827 0.488 -3.849
181 HA CYS 20 HA CYS 20 -2.862 -1.922 -2.390
182 1HB CYS 20 2HB CYS 20 -4.285 -0.009 -2.132
183 2HB CYS 20 1HB CYS 20 -4.155 0.403 -3.841
184 H VAL 21 H VAL 21 -2.496 -3.758 -3.616
185 HA VAL 21 HA VAL 21 -2.635 -3.496 -6.584
186 HB VAL 21 HB VAL 21 -0.982 -5.141 -6.686
187 1HG1 VAL 21 1HG1 VAL 21 -0.655 -3.979 -3.905
188 2HG1 VAL 21 3HG1 VAL 21 0.601 -4.858 -4.773
189 3HG1 VAL 21 2HG1 VAL 21 0.005 -3.323 -5.403
190 1HG2 VAL 21 1HG2 VAL 21 -2.471 -6.261 -4.384
191 2HG2 VAL 21 3HG2 VAL 21 -1.735 -7.087 -5.758
192 3HG2 VAL 21 2HG2 VAL 21 -0.738 -6.586 -4.392
193 H ARG 22 H ARG 22 -4.810 -3.850 -4.568
194 HA ARG 22 HA ARG 22 -6.381 -5.812 -6.063
195 1HB ARG 22 2HB ARG 22 -4.820 -6.621 -3.849
196 2HB ARG 22 1HB ARG 22 -6.488 -6.579 -3.276
197 1HG ARG 22 2HG ARG 22 -7.098 -8.340 -4.561
198 2HG ARG 22 1HG ARG 22 -6.191 -7.753 -5.954
199 1HD ARG 22 2HD ARG 22 -4.288 -8.521 -3.966
200 2HD ARG 22 1HD ARG 22 -5.454 -9.847 -4.147
201 HE ARG 22 HE ARG 22 -4.746 -8.789 -6.729
202 1HH1 ARG 22 1HH2 ARG 22 -4.847 -11.670 -5.368
203 2HH1 ARG 22 2HH2 ARG 22 -3.262 -12.217 -5.800
204 1HH2 ARG 22 2HH1 ARG 22 -2.149 -9.076 -6.758
205 2HH2 ARG 22 1HH1 ARG 22 -1.734 -10.750 -6.586
206 H ARG 23 H ARG 23 -7.760 -3.904 -6.316
207 HA ARG 23 HA ARG 23 -8.813 -2.533 -3.957
208 1HB ARG 23 2HB ARG 23 -9.569 -2.547 -6.901
209 2HB ARG 23 1HB ARG 23 -10.174 -1.392 -5.714
210 1HG ARG 23 2HG ARG 23 -7.935 -0.556 -5.297
211 2HG ARG 23 1HG ARG 23 -7.236 -1.809 -6.325
212 1HD ARG 23 2HD ARG 23 -7.877 -0.752 -8.281
213 2HD ARG 23 1HD ARG 23 -9.313 -0.023 -7.536
214 HE ARG 23 HE ARG 23 -6.541 0.901 -6.872
215 1HH1 ARG 23 1HH2 ARG 23 -7.741 2.500 -5.167
216 2HH1 ARG 23 2HH2 ARG 23 -8.598 3.736 -6.026
217 1HH2 ARG 23 2HH1 ARG 23 -8.568 2.029 -9.044
218 2HH2 ARG 23 1HH1 ARG 23 -9.066 3.470 -8.221
219 H ALA 24 H ALA 24 -9.605 -4.640 -2.948
220 HA ALA 24 HA ALA 24 -11.948 -5.919 -4.188
221 1HB ALA 24 1HB ALA 24 -9.949 -6.697 -2.496
222 2HB ALA 24 3HB ALA 24 -11.255 -6.399 -1.349
223 3HB ALA 24 2HB ALA 24 -11.479 -7.557 -2.660
224 H PHE 25 HN PHE 25 -13.986 -5.102 -3.934
225 HA PHE 25 HA PHE 25 -14.806 -2.817 -2.652
226 1HB PHE 25 2HB PHE 25 -16.042 -5.430 -3.358
227 2HB PHE 25 1HB PHE 25 -16.984 -4.378 -2.301
228 HD1 PHE 25 HD2 PHE 25 -17.045 -1.826 -3.041
229 HD2 PHE 25 HD1 PHE 25 -16.215 -5.124 -5.664
230 HE1 PHE 25 HE2 PHE 25 -17.689 -0.436 -4.992
231 HE2 PHE 25 HE1 PHE 25 -16.858 -3.735 -7.615
232 HZ PHE 25 HZ PHE 25 -17.596 -1.390 -7.279
No H/Q in entry = 232
Start of MODEL 6
1 1H PHE 1 2H PHE 1 -7.776 2.417 2.755
2 2H PHE 1 1H PHE 1 -8.360 3.880 2.118
3 3H PHE 1 3H PHE 1 -9.336 2.959 3.155
4 HA PHE 1 HA PHE 1 -10.182 2.508 1.022
5 1HB PHE 1 2HB PHE 1 -8.088 3.612 0.058
6 2HB PHE 1 1HB PHE 1 -7.314 2.032 0.174
7 HD1 PHE 1 HD1 PHE 1 -10.201 3.850 -1.323
8 HD2 PHE 1 HD2 PHE 1 -7.745 0.326 -1.425
9 HE1 PHE 1 HE1 PHE 1 -11.264 3.170 -3.458
10 HE2 PHE 1 HE2 PHE 1 -8.809 -0.353 -3.561
11 HZ PHE 1 HZ PHE 1 -10.569 1.069 -4.576
12 H LYS 2 H LYS 2 -10.802 0.382 0.430
13 HA LYS 2 HA LYS 2 -9.878 -1.759 2.202
14 1HB LYS 2 2HB LYS 2 -11.813 -1.668 -0.138
15 2HB LYS 2 1HB LYS 2 -11.657 -3.013 0.993
16 1HG LYS 2 2HG LYS 2 -11.953 -0.564 2.474
17 2HG LYS 2 1HG LYS 2 -13.254 -0.688 1.289
18 1HD LYS 2 2HD LYS 2 -14.230 -1.968 2.915
19 2HD LYS 2 1HD LYS 2 -13.226 -3.235 2.208
20 1HE LYS 2 2HE LYS 2 -11.737 -1.636 4.153
21 2HE LYS 2 1HE LYS 2 -13.153 -2.426 4.873
22 1HZ LYS 2 2HZ LYS 2 -11.600 -3.981 2.957
23 2HZ LYS 2 1HZ LYS 2 -10.879 -3.713 4.472
24 3HZ LYS 2 3HZ LYS 2 -12.387 -4.485 4.376
25 H CYS 3 H CYS 3 -8.218 -3.135 1.710
26 HA CYS 3 HA CYS 3 -7.568 -3.626 -1.175
27 1HB CYS 3 2HB CYS 3 -6.138 -1.970 0.403
28 2HB CYS 3 1HB CYS 3 -5.370 -3.497 0.824
29 H ARG 4 H ARG 4 -5.378 -5.302 -0.614
30 HA ARG 4 HA ARG 4 -6.400 -7.455 1.158
31 1HB ARG 4 2HB ARG 4 -7.536 -8.003 -0.839
32 2HB ARG 4 1HB ARG 4 -6.167 -7.535 -1.845
33 1HG ARG 4 2HG ARG 4 -5.694 -9.720 0.119
34 2HG ARG 4 1HG ARG 4 -6.707 -10.105 -1.274
35 1HD ARG 4 2HD ARG 4 -4.980 -9.695 -2.810
36 2HD ARG 4 1HD ARG 4 -4.085 -8.667 -1.674
37 HE ARG 4 HE ARG 4 -3.593 -10.735 -0.357
38 1HH1 ARG 4 1HH2 ARG 4 -4.826 -13.009 -0.794
39 2HH1 ARG 4 2HH2 ARG 4 -4.211 -13.743 -2.237
40 1HH2 ARG 4 2HH1 ARG 4 -2.771 -10.822 -3.427
41 2HH2 ARG 4 1HH1 ARG 4 -3.047 -12.505 -3.728
42 H ARG 5 H ARG 5 -3.834 -6.283 -1.008
43 HA ARG 5 HA ARG 5 -1.829 -7.516 0.799
44 1HB ARG 5 2HB ARG 5 -2.313 -9.296 -0.751
45 2HB ARG 5 1HB ARG 5 -2.219 -8.194 -2.126
46 1HG ARG 5 2HG ARG 5 -0.149 -9.533 -1.905
47 2HG ARG 5 1HG ARG 5 0.170 -7.814 -1.674
48 1HD ARG 5 2HD ARG 5 -0.530 -8.942 0.872
49 2HD ARG 5 1HD ARG 5 0.749 -9.932 0.140
50 HE ARG 5 HE ARG 5 1.007 -6.956 0.181
51 1HH1 ARG 5 2HH1 ARG 5 1.800 -9.758 1.887
52 2HH1 ARG 5 1HH1 ARG 5 3.496 -9.418 1.988
53 1HH2 ARG 5 1HH2 ARG 5 3.338 -6.662 -0.110
54 2HH2 ARG 5 2HH2 ARG 5 4.367 -7.665 0.857
55 H TRP 6 H TRP 6 -1.152 -5.318 1.213
56 HA TRP 6 HA TRP 6 -0.517 -3.405 -0.797
57 1HB TRP 6 2HB TRP 6 0.455 -3.885 2.034
58 2HB TRP 6 1HB TRP 6 0.754 -2.400 1.128
59 HD1 TRP 6 HD1 TRP 6 -2.097 -4.447 2.600
60 HE1 TRP 6 HE1 TRP 6 -4.161 -2.915 2.799
61 HE3 TRP 6 HE3 TRP 6 -0.297 -0.336 0.285
62 HZ2 TRP 6 HZ2 TRP 6 -4.938 -0.241 2.065
63 HZ3 TRP 6 HZ3 TRP 6 -1.691 1.715 0.031
64 HH2 TRP 6 HH2 TRP 6 -4.010 1.761 0.921
65 H GLN 7 H GLN 7 1.138 -3.543 -2.286
66 HA GLN 7 HA GLN 7 3.440 -5.356 -1.700
67 1HB GLN 7 2HB GLN 7 2.366 -5.946 -3.715
68 2HB GLN 7 1HB GLN 7 2.094 -4.265 -4.170
69 1HG GLN 7 2HG GLN 7 4.190 -4.028 -5.052
70 2HG GLN 7 1HG GLN 7 4.932 -5.055 -3.825
71 1HE2 GLN 7 2HE2 GLN 7 3.448 -6.771 -7.247
72 2HE2 GLN 7 1HE2 GLN 7 2.972 -5.197 -6.825
73 H TRP 8 H TRP 8 5.346 -4.386 -1.133
74 HA TRP 8 HA TRP 8 5.732 -1.579 -0.969
75 1HB TRP 8 2HB TRP 8 7.427 -4.046 -0.865
76 2HB TRP 8 1HB TRP 8 8.202 -2.460 -0.828
77 HD1 TRP 8 HD1 TRP 8 6.427 -4.875 1.303
78 HE1 TRP 8 HE1 TRP 8 5.948 -3.873 3.619
79 HE3 TRP 8 HE3 TRP 8 7.504 -0.037 0.359
80 HZ2 TRP 8 HZ2 TRP 8 6.025 -1.317 4.915
81 HZ3 TRP 8 HZ3 TRP 8 7.303 1.693 2.129
82 HH2 TRP 8 HH2 TRP 8 6.560 1.056 4.409
83 H ARG 9 H ARG 9 5.612 -0.355 -2.846
84 HA ARG 9 HA ARG 9 6.675 -1.309 -5.399
85 1HB ARG 9 2HB ARG 9 5.437 1.218 -4.310
86 2HB ARG 9 1HB ARG 9 6.084 1.166 -5.949
87 1HG ARG 9 2HG ARG 9 4.478 -1.178 -5.484
88 2HG ARG 9 1HG ARG 9 3.545 0.263 -5.075
89 1HD ARG 9 2HD ARG 9 4.513 1.186 -7.353
90 2HD ARG 9 1HD ARG 9 4.720 -0.537 -7.722
91 HE ARG 9 HE ARG 9 2.179 -0.485 -6.721
92 1HH1 ARG 9 1HH2 ARG 9 1.863 2.362 -7.404
93 2HH1 ARG 9 2HH2 ARG 9 1.315 2.311 -9.047
94 1HH2 ARG 9 2HH1 ARG 9 2.321 -0.967 -9.562
95 2HH2 ARG 9 1HH1 ARG 9 1.575 0.427 -10.268
96 H MET 10 H MET 10 8.100 0.586 -6.546
97 HA MET 10 HA MET 10 10.581 0.706 -4.955
98 1HB MET 10 2HB MET 10 10.212 1.892 -7.688
99 2HB MET 10 1HB MET 10 11.604 1.048 -7.027
100 1HG MET 10 2HG MET 10 10.866 -0.749 -8.188
101 2HG MET 10 1HG MET 10 9.636 -0.889 -6.933
102 1HE MET 10 3HE MET 10 10.740 0.881 -10.018
103 2HE MET 10 2HE MET 10 10.124 -0.592 -10.764
104 3HE MET 10 1HE MET 10 9.337 0.950 -11.092
105 H LYS 11 H LYS 11 11.676 2.709 -4.539
106 HA LYS 11 HA LYS 11 10.367 5.278 -5.112
107 1HB LYS 11 2HB LYS 11 9.529 3.780 -2.917
108 2HB LYS 11 1HB LYS 11 10.654 4.950 -2.227
109 1HG LYS 11 2HG LYS 11 9.340 6.649 -3.774
110 2HG LYS 11 1HG LYS 11 8.069 5.430 -3.665
111 1HD LYS 11 2HD LYS 11 7.538 6.126 -1.594
112 2HD LYS 11 1HD LYS 11 9.194 5.842 -1.052
113 1HE LYS 11 2HE LYS 11 9.764 8.054 -1.231
114 2HE LYS 11 1HE LYS 11 8.794 8.283 -2.701
115 1HZ LYS 11 3HZ LYS 11 7.439 7.680 -0.163
116 2HZ LYS 11 2HZ LYS 11 7.976 9.267 -0.446
117 3HZ LYS 11 1HZ LYS 11 6.866 8.540 -1.507
118 H LYS 12 H LYS 12 11.538 6.599 -2.881
119 HA LYS 12 HA LYS 12 14.131 7.278 -3.788
120 1HB LYS 12 2HB LYS 12 13.020 7.382 -0.975
121 2HB LYS 12 1HB LYS 12 14.264 8.432 -1.655
122 1HG LYS 12 2HG LYS 12 12.012 8.524 -3.403
123 2HG LYS 12 1HG LYS 12 11.422 8.761 -1.758
124 1HD LYS 12 2HD LYS 12 12.205 10.868 -1.779
125 2HD LYS 12 1HD LYS 12 13.838 10.256 -2.040
126 1HE LYS 12 2HE LYS 12 13.321 11.738 -3.889
127 2HE LYS 12 1HE LYS 12 13.248 10.080 -4.520
128 1HZ LYS 12 3HZ LYS 12 10.856 11.314 -3.322
129 2HZ LYS 12 2HZ LYS 12 11.259 11.655 -4.936
130 3HZ LYS 12 1HZ LYS 12 10.954 10.055 -4.454
131 H LEU 13 H LEU 13 15.357 7.025 -1.082
132 HA LEU 13 HA LEU 13 17.239 5.060 -1.381
133 1HB LEU 13 2HB LEU 13 16.079 6.620 0.745
134 2HB LEU 13 1HB LEU 13 16.491 5.016 1.355
135 HG LEU 13 HG LEU 13 18.612 5.889 -0.345
136 1HD1 LEU 13 1HD1 LEU 13 17.557 7.934 1.597
137 2HD1 LEU 13 3HD1 LEU 13 19.283 7.844 1.248
138 3HD1 LEU 13 2HD1 LEU 13 18.138 8.171 -0.052
139 1HD2 LEU 13 2HD2 LEU 13 18.535 4.327 1.715
140 2HD2 LEU 13 1HD2 LEU 13 19.940 5.380 1.552
141 3HD2 LEU 13 3HD2 LEU 13 18.646 5.803 2.674
142 H GLY 14 H GLY 14 17.406 2.966 0.015
143 1HA GLY 14 2HA GLY 14 15.956 0.876 -0.914
144 2HA GLY 14 1HA GLY 14 16.514 0.892 0.757
145 H ALA 15 H ALA 15 14.778 3.180 1.472
146 HA ALA 15 HA ALA 15 12.519 1.861 2.498
147 1HB ALA 15 2HB ALA 15 13.577 4.504 2.249
148 2HB ALA 15 1HB ALA 15 11.865 4.573 1.832
149 3HB ALA 15 3HB ALA 15 12.365 3.927 3.395
150 HA PRO 16 HA PRO 16 10.483 1.335 -1.499
151 1HB PRO 16 2HB PRO 16 8.895 -0.754 -0.670
152 2HB PRO 16 1HB PRO 16 10.587 -0.945 -1.184
153 1HG PRO 16 2HG PRO 16 9.418 -0.955 1.530
154 2HG PRO 16 1HG PRO 16 10.837 -1.804 0.906
155 1HD PRO 16 2HD PRO 16 10.866 0.508 2.465
156 2HD PRO 16 1HD PRO 16 12.225 -0.130 1.519
157 H SER 17 H SER 17 7.909 0.939 -1.849
158 HA SER 17 HA SER 17 6.398 2.614 0.122
159 1HB SER 17 2HB SER 17 6.136 2.874 -2.877
160 2HB SER 17 1HB SER 17 5.613 4.009 -1.635
161 HG SER 17 HG SER 17 8.006 4.003 -1.115
162 H ILE 18 H ILE 18 5.183 0.799 0.864
163 HA ILE 18 HA ILE 18 3.977 -1.120 -0.954
164 HB ILE 18 HB ILE 18 4.651 -1.089 1.660
165 1HG1 ILE 18 2HG1 ILE 18 2.316 -2.731 0.671
166 2HG1 ILE 18 1HG1 ILE 18 3.969 -3.017 0.149
167 1HG2 ILE 18 3HG2 ILE 18 2.777 0.507 2.178
168 2HG2 ILE 18 2HG2 ILE 18 1.646 -0.764 1.710
169 3HG2 ILE 18 1HG2 ILE 18 2.719 -1.002 3.090
170 1HD1 ILE 18 1HD1 ILE 18 4.121 -2.803 2.942
171 2HD1 ILE 18 3HD1 ILE 18 2.687 -3.781 2.632
172 3HD1 ILE 18 2HD1 ILE 18 4.251 -4.282 1.990
173 H THR 19 H THR 19 2.270 -0.654 -2.237
174 HA THR 19 HA THR 19 0.313 1.430 -1.332
175 HB THR 19 HB THR 19 0.915 0.378 -4.115
176 HG1 THR 19 HG1 THR 19 1.978 2.517 -4.211
177 1HG2 THR 19 2HG2 THR 19 -0.844 2.500 -2.966
178 2HG2 THR 19 1HG2 THR 19 -0.063 2.824 -4.513
179 3HG2 THR 19 3HG2 THR 19 -1.127 1.429 -4.337
180 H CYS 20 H CYS 20 -1.939 0.936 -2.483
181 HA CYS 20 HA CYS 20 -2.816 -1.679 -1.510
182 1HB CYS 20 2HB CYS 20 -4.163 0.346 -1.250
183 2HB CYS 20 1HB CYS 20 -4.173 0.594 -2.996
184 H VAL 21 H VAL 21 -2.591 -3.502 -2.770
185 HA VAL 21 HA VAL 21 -2.582 -3.155 -5.731
186 HB VAL 21 HB VAL 21 -1.099 -4.964 -5.810
187 1HG1 VAL 21 2HG1 VAL 21 -0.754 -3.764 -3.051
188 2HG1 VAL 21 1HG1 VAL 21 0.411 -4.861 -3.785
189 3HG1 VAL 21 3HG1 VAL 21 0.078 -3.301 -4.536
190 1HG2 VAL 21 2HG2 VAL 21 -2.499 -5.892 -3.303
191 2HG2 VAL 21 1HG2 VAL 21 -2.379 -6.710 -4.861
192 3HG2 VAL 21 3HG2 VAL 21 -0.966 -6.599 -3.813
193 H ARG 22 H ARG 22 -4.940 -3.274 -3.969
194 HA ARG 22 HA ARG 22 -6.501 -5.198 -5.541
195 1HB ARG 22 2HB ARG 22 -5.313 -6.452 -3.648
196 2HB ARG 22 1HB ARG 22 -6.346 -5.548 -2.539
197 1HG ARG 22 2HG ARG 22 -7.937 -7.109 -2.869
198 2HG ARG 22 1HG ARG 22 -8.076 -6.528 -4.529
199 1HD ARG 22 2HD ARG 22 -5.812 -8.114 -4.655
200 2HD ARG 22 1HD ARG 22 -6.857 -9.008 -3.532
201 HE ARG 22 HE ARG 22 -8.458 -9.269 -5.279
202 1HH1 ARG 22 2HH1 ARG 22 -9.394 -7.555 -6.880
203 2HH1 ARG 22 1HH1 ARG 22 -8.322 -7.242 -8.204
204 1HH2 ARG 22 1HH2 ARG 22 -5.566 -8.669 -6.655
205 2HH2 ARG 22 2HH2 ARG 22 -6.155 -7.873 -8.078
206 H ARG 23 H ARG 23 -8.585 -4.390 -5.724
207 HA ARG 23 HA ARG 23 -9.336 -2.158 -3.889
208 1HB ARG 23 2HB ARG 23 -10.310 -2.961 -6.652
209 2HB ARG 23 1HB ARG 23 -10.764 -1.497 -5.789
210 1HG ARG 23 2HG ARG 23 -8.312 -0.888 -5.704
211 2HG ARG 23 1HG ARG 23 -8.010 -2.248 -6.787
212 1HD ARG 23 2HD ARG 23 -10.080 -0.946 -8.071
213 2HD ARG 23 1HD ARG 23 -9.136 0.400 -7.401
214 HE ARG 23 HE ARG 23 -7.439 -0.158 -8.938
215 1HH1 ARG 23 2HH1 ARG 23 -9.735 -2.689 -8.672
216 2HH1 ARG 23 1HH1 ARG 23 -8.791 -3.832 -9.567
217 1HH2 ARG 23 1HH2 ARG 23 -6.069 -1.712 -9.915
218 2HH2 ARG 23 2HH2 ARG 23 -6.716 -3.279 -10.272
219 H ALA 24 H ALA 24 -9.748 -4.561 -2.694
220 HA ALA 24 HA ALA 24 -12.282 -5.819 -3.322
221 1HB ALA 24 1HB ALA 24 -10.229 -6.708 -2.051
222 2HB ALA 24 3HB ALA 24 -10.828 -5.791 -0.669
223 3HB ALA 24 2HB ALA 24 -11.805 -7.089 -1.357
224 H PHE 25 HN PHE 25 -13.978 -4.284 -3.319
225 HA PHE 25 HA PHE 25 -14.471 -2.093 -1.741
226 1HB PHE 25 2HB PHE 25 -16.468 -4.276 -2.413
227 2HB PHE 25 1HB PHE 25 -16.829 -2.570 -2.155
228 HD1 PHE 25 HD2 PHE 25 -14.936 -1.056 -3.600
229 HD2 PHE 25 HD1 PHE 25 -16.629 -4.858 -4.661
230 HE1 PHE 25 HE2 PHE 25 -14.475 -0.593 -5.993
231 HE2 PHE 25 HE1 PHE 25 -16.170 -4.395 -7.054
232 HZ PHE 25 HZ PHE 25 -15.092 -2.263 -7.720
No H/Q in entry = 232
Start of MODEL 7
1 1H PHE 1 1H PHE 1 -12.234 1.003 1.535
2 2H PHE 1 3H PHE 1 -13.161 1.557 0.228
3 3H PHE 1 2H PHE 1 -13.282 -0.063 0.727
4 HA PHE 1 HA PHE 1 -11.916 -0.240 -1.125
5 1HB PHE 1 2HB PHE 1 -11.832 2.209 -1.399
6 2HB PHE 1 1HB PHE 1 -10.675 2.323 -0.073
7 HD1 PHE 1 HD1 PHE 1 -11.196 0.977 -3.500
8 HD2 PHE 1 HD2 PHE 1 -8.355 1.857 -0.401
9 HE1 PHE 1 HE1 PHE 1 -9.335 0.553 -5.084
10 HE2 PHE 1 HE2 PHE 1 -6.495 1.432 -1.984
11 HZ PHE 1 HZ PHE 1 -6.985 0.779 -4.326
12 H LYS 2 H LYS 2 -11.611 -0.731 1.976
13 HA LYS 2 HA LYS 2 -9.004 -0.858 2.874
14 1HB LYS 2 2HB LYS 2 -9.745 -2.933 4.038
15 2HB LYS 2 1HB LYS 2 -10.987 -1.681 4.077
16 1HG LYS 2 2HG LYS 2 -11.730 -2.871 1.804
17 2HG LYS 2 1HG LYS 2 -10.934 -4.253 2.559
18 1HD LYS 2 2HD LYS 2 -12.564 -2.897 4.512
19 2HD LYS 2 1HD LYS 2 -13.536 -3.272 3.089
20 1HE LYS 2 2HE LYS 2 -11.769 -5.292 4.517
21 2HE LYS 2 1HE LYS 2 -13.523 -5.151 4.748
22 1HZ LYS 2 1HZ LYS 2 -13.717 -5.311 2.274
23 2HZ LYS 2 3HZ LYS 2 -12.075 -5.733 2.223
24 3HZ LYS 2 2HZ LYS 2 -13.183 -6.736 3.032
25 H CYS 3 H CYS 3 -7.328 -1.254 1.408
26 HA CYS 3 HA CYS 3 -7.325 -3.077 -0.759
27 1HB CYS 3 2HB CYS 3 -5.644 -1.230 0.285
28 2HB CYS 3 1HB CYS 3 -4.820 -2.703 0.787
29 H ARG 4 H ARG 4 -5.136 -4.735 -0.345
30 HA ARG 4 HA ARG 4 -5.745 -6.484 1.961
31 1HB ARG 4 2HB ARG 4 -6.329 -8.346 0.520
32 2HB ARG 4 1HB ARG 4 -7.346 -6.968 0.102
33 1HG ARG 4 2HG ARG 4 -6.664 -7.509 -2.017
34 2HG ARG 4 1HG ARG 4 -5.290 -6.498 -1.569
35 1HD ARG 4 2HD ARG 4 -4.529 -8.657 -2.533
36 2HD ARG 4 1HD ARG 4 -4.060 -8.536 -0.826
37 HE ARG 4 HE ARG 4 -5.787 -10.113 -0.267
38 1HH1 ARG 4 2HH1 ARG 4 -8.108 -10.440 -1.154
39 2HH1 ARG 4 1HH1 ARG 4 -8.126 -11.175 -2.723
40 1HH2 ARG 4 1HH2 ARG 4 -4.776 -10.538 -3.351
41 2HH2 ARG 4 2HH2 ARG 4 -6.239 -11.230 -3.966
42 H ARG 5 H ARG 5 -3.718 -5.783 -0.870
43 HA ARG 5 HA ARG 5 -1.499 -7.261 0.497
44 1HB ARG 5 2HB ARG 5 -2.806 -7.718 -2.079
45 2HB ARG 5 1HB ARG 5 -1.056 -7.555 -2.227
46 1HG ARG 5 2HG ARG 5 -0.747 -9.257 -0.463
47 2HG ARG 5 1HG ARG 5 -2.497 -9.434 -0.332
48 1HD ARG 5 2HD ARG 5 -2.679 -10.389 -2.500
49 2HD ARG 5 1HD ARG 5 -1.061 -9.831 -2.968
50 HE ARG 5 HE ARG 5 -1.645 -12.114 -1.173
51 1HH1 ARG 5 1HH2 ARG 5 0.652 -9.668 -1.696
52 2HH1 ARG 5 2HH2 ARG 5 2.013 -10.738 -1.740
53 1HH2 ARG 5 2HH1 ARG 5 0.090 -13.620 -1.605
54 2HH2 ARG 5 1HH1 ARG 5 1.694 -12.975 -1.688
55 H TRP 6 H TRP 6 -0.964 -4.931 1.136
56 HA TRP 6 HA TRP 6 -0.226 -2.982 -0.818
57 1HB TRP 6 2HB TRP 6 0.544 -3.503 2.065
58 2HB TRP 6 1HB TRP 6 0.964 -2.026 1.198
59 HD1 TRP 6 HD1 TRP 6 -2.034 -3.952 2.497
60 HE1 TRP 6 HE1 TRP 6 -4.060 -2.356 2.549
61 HE3 TRP 6 HE3 TRP 6 0.017 0.054 0.214
62 HZ2 TRP 6 HZ2 TRP 6 -4.711 0.325 1.723
63 HZ3 TRP 6 HZ3 TRP 6 -1.295 2.140 -0.157
64 HH2 TRP 6 HH2 TRP 6 -3.658 2.274 0.595
65 H GLN 7 H GLN 7 1.224 -3.821 -2.395
66 HA GLN 7 HA GLN 7 3.593 -5.362 -1.569
67 1HB GLN 7 2HB GLN 7 2.564 -6.050 -3.582
68 2HB GLN 7 1HB GLN 7 2.363 -4.392 -4.148
69 1HG GLN 7 2HG GLN 7 4.477 -4.290 -4.989
70 2HG GLN 7 1HG GLN 7 5.161 -5.190 -3.635
71 1HE2 GLN 7 2HE2 GLN 7 4.299 -7.134 -7.062
72 2HE2 GLN 7 1HE2 GLN 7 4.176 -5.446 -6.923
73 H TRP 8 H TRP 8 5.217 -4.153 -0.628
74 HA TRP 8 HA TRP 8 5.746 -1.432 -0.782
75 1HB TRP 8 2HB TRP 8 7.351 -3.918 -0.378
76 2HB TRP 8 1HB TRP 8 8.210 -2.382 -0.511
77 HD1 TRP 8 HD1 TRP 8 6.309 -4.449 1.861
78 HE1 TRP 8 HE1 TRP 8 5.858 -3.162 4.040
79 HE3 TRP 8 HE3 TRP 8 7.599 0.214 0.374
80 HZ2 TRP 8 HZ2 TRP 8 6.033 -0.478 5.030
81 HZ3 TRP 8 HZ3 TRP 8 7.459 2.138 1.934
82 HH2 TRP 8 HH2 TRP 8 6.673 1.796 4.263
83 H ARG 9 H ARG 9 5.652 -0.416 -2.818
84 HA ARG 9 HA ARG 9 6.943 -1.559 -5.179
85 1HB ARG 9 2HB ARG 9 5.572 1.039 -4.458
86 2HB ARG 9 1HB ARG 9 6.287 0.783 -6.049
87 1HG ARG 9 2HG ARG 9 4.859 -1.126 -6.458
88 2HG ARG 9 1HG ARG 9 4.249 -1.080 -4.803
89 1HD ARG 9 2HD ARG 9 2.645 0.394 -5.417
90 2HD ARG 9 1HD ARG 9 3.883 1.513 -6.023
91 HE ARG 9 HE ARG 9 2.293 -0.231 -7.671
92 1HH1 ARG 9 1HH2 ARG 9 5.185 1.565 -7.370
93 2HH1 ARG 9 2HH2 ARG 9 5.777 1.156 -8.946
94 1HH2 ARG 9 2HH1 ARG 9 3.176 -1.028 -9.645
95 2HH2 ARG 9 1HH1 ARG 9 4.639 -0.312 -10.233
96 H MET 10 H MET 10 8.394 0.294 -6.395
97 HA MET 10 HA MET 10 10.790 0.543 -4.740
98 1HB MET 10 2HB MET 10 10.393 1.838 -7.422
99 2HB MET 10 1HB MET 10 11.829 1.058 -6.774
100 1HG MET 10 2HG MET 10 10.291 -1.093 -6.782
101 2HG MET 10 1HG MET 10 9.395 -0.188 -8.003
102 1HE MET 10 1HE MET 10 9.646 -0.717 -10.149
103 2HE MET 10 3HE MET 10 10.566 0.788 -10.282
104 3HE MET 10 2HE MET 10 11.123 -0.664 -11.108
105 H LYS 11 H LYS 11 11.825 2.552 -4.230
106 HA LYS 11 HA LYS 11 10.385 5.097 -4.634
107 1HB LYS 11 2HB LYS 11 10.027 3.433 -2.319
108 2HB LYS 11 1HB LYS 11 10.850 4.917 -1.837
109 1HG LYS 11 2HG LYS 11 8.268 4.748 -3.417
110 2HG LYS 11 1HG LYS 11 8.422 5.239 -1.730
111 1HD LYS 11 2HD LYS 11 9.145 7.322 -2.276
112 2HD LYS 11 1HD LYS 11 10.173 6.722 -3.579
113 1HE LYS 11 2HE LYS 11 8.404 6.725 -5.144
114 2HE LYS 11 1HE LYS 11 7.165 6.751 -3.874
115 1HZ LYS 11 2HZ LYS 11 9.164 8.908 -4.037
116 2HZ LYS 11 1HZ LYS 11 7.791 8.956 -5.037
117 3HZ LYS 11 3HZ LYS 11 7.611 8.940 -3.351
118 H LYS 12 H LYS 12 11.718 6.421 -2.495
119 HA LYS 12 HA LYS 12 14.162 7.201 -3.657
120 1HB LYS 12 2HB LYS 12 13.610 7.156 -0.685
121 2HB LYS 12 1HB LYS 12 14.536 8.344 -1.594
122 1HG LYS 12 2HG LYS 12 12.666 9.571 -1.819
123 2HG LYS 12 1HG LYS 12 11.978 8.272 -2.793
124 1HD LYS 12 2HD LYS 12 10.415 8.137 -1.151
125 2HD LYS 12 1HD LYS 12 11.669 7.286 -0.247
126 1HE LYS 12 2HE LYS 12 11.715 10.276 -0.161
127 2HE LYS 12 1HE LYS 12 10.468 9.440 0.784
128 1HZ LYS 12 1HZ LYS 12 12.375 7.908 1.481
129 2HZ LYS 12 3HZ LYS 12 13.403 9.142 0.939
130 3HZ LYS 12 2HZ LYS 12 12.301 9.447 2.196
131 H LEU 13 H LEU 13 16.149 6.997 -1.770
132 HA LEU 13 HA LEU 13 17.227 4.381 -2.291
133 1HB LEU 13 2HB LEU 13 19.162 5.294 -1.104
134 2HB LEU 13 1HB LEU 13 18.496 6.521 -2.183
135 HG LEU 13 HG LEU 13 17.096 6.758 0.270
136 1HD1 LEU 13 2HD1 LEU 13 19.754 5.736 0.663
137 2HD1 LEU 13 1HD1 LEU 13 19.688 7.400 1.244
138 3HD1 LEU 13 3HD1 LEU 13 18.564 6.198 1.879
139 1HD2 LEU 13 1HD2 LEU 13 17.936 8.450 -1.552
140 2HD2 LEU 13 3HD2 LEU 13 17.805 8.987 0.122
141 3HD2 LEU 13 2HD2 LEU 13 19.378 8.544 -0.542
142 H GLY 14 H GLY 14 17.427 2.633 -0.894
143 1HA GLY 14 2HA GLY 14 16.753 1.240 0.882
144 2HA GLY 14 1HA GLY 14 17.410 2.543 1.865
145 H ALA 15 H ALA 15 14.519 2.486 -0.214
146 HA ALA 15 HA ALA 15 12.707 2.467 2.082
147 1HB ALA 15 1HB ALA 15 13.951 4.859 1.425
148 2HB ALA 15 3HB ALA 15 12.388 4.985 0.619
149 3HB ALA 15 2HB ALA 15 12.464 4.703 2.359
150 HA PRO 16 HA PRO 16 10.616 1.110 -1.690
151 1HB PRO 16 2HB PRO 16 8.998 -0.703 -0.415
152 2HB PRO 16 1HB PRO 16 10.679 -1.053 -0.875
153 1HG PRO 16 2HG PRO 16 9.541 -0.387 1.778
154 2HG PRO 16 1HG PRO 16 10.898 -1.443 1.361
155 1HD PRO 16 2HD PRO 16 11.117 1.141 2.353
156 2HD PRO 16 1HD PRO 16 12.398 0.249 1.505
157 H SER 17 H SER 17 8.044 0.820 -1.964
158 HA SER 17 HA SER 17 6.621 2.847 -0.278
159 1HB SER 17 2HB SER 17 5.645 3.233 -2.829
160 2HB SER 17 1HB SER 17 6.890 4.224 -2.072
161 HG SER 17 HG SER 17 7.090 2.233 -4.007
162 H ILE 18 H ILE 18 5.331 1.196 0.715
163 HA ILE 18 HA ILE 18 4.027 -0.876 -0.855
164 HB ILE 18 HB ILE 18 4.703 -0.469 1.770
165 1HG1 ILE 18 2HG1 ILE 18 2.550 -2.354 0.779
166 2HG1 ILE 18 1HG1 ILE 18 4.278 -2.615 0.574
167 1HG2 ILE 18 2HG2 ILE 18 2.777 1.057 2.118
168 2HG2 ILE 18 1HG2 ILE 18 1.685 -0.238 1.626
169 3HG2 ILE 18 3HG2 ILE 18 2.650 -0.407 3.094
170 1HD1 ILE 18 3HD1 ILE 18 4.081 -2.065 3.269
171 2HD1 ILE 18 2HD1 ILE 18 2.604 -2.976 2.960
172 3HD1 ILE 18 1HD1 ILE 18 4.173 -3.682 2.571
173 H THR 19 H THR 19 2.399 -0.409 -2.236
174 HA THR 19 HA THR 19 0.472 1.770 -1.501
175 HB THR 19 HB THR 19 1.199 0.628 -4.219
176 HG1 THR 19 HG1 THR 19 2.057 2.992 -2.909
177 1HG2 THR 19 1HG2 THR 19 -0.517 2.908 -3.261
178 2HG2 THR 19 3HG2 THR 19 0.208 2.941 -4.869
179 3HG2 THR 19 2HG2 THR 19 -0.908 1.648 -4.430
180 H CYS 20 H CYS 20 -1.746 1.291 -2.699
181 HA CYS 20 HA CYS 20 -2.692 -1.296 -1.713
182 1HB CYS 20 2HB CYS 20 -3.987 0.793 -1.543
183 2HB CYS 20 1HB CYS 20 -3.996 0.942 -3.301
184 H VAL 21 H VAL 21 -2.663 -3.158 -2.937
185 HA VAL 21 HA VAL 21 -2.512 -2.854 -5.904
186 HB VAL 21 HB VAL 21 -1.090 -4.742 -5.923
187 1HG1 VAL 21 2HG1 VAL 21 -0.635 -3.323 -3.282
188 2HG1 VAL 21 1HG1 VAL 21 0.520 -4.432 -4.020
189 3HG1 VAL 21 3HG1 VAL 21 0.097 -2.928 -4.838
190 1HG2 VAL 21 1HG2 VAL 21 -2.336 -5.397 -3.244
191 2HG2 VAL 21 3HG2 VAL 21 -2.422 -6.334 -4.736
192 3HG2 VAL 21 2HG2 VAL 21 -0.902 -6.225 -3.850
193 H ARG 22 H ARG 22 -4.843 -3.036 -4.036
194 HA ARG 22 HA ARG 22 -6.464 -4.844 -5.670
195 1HB ARG 22 2HB ARG 22 -5.152 -6.156 -3.814
196 2HB ARG 22 1HB ARG 22 -6.353 -5.458 -2.725
197 1HG ARG 22 2HG ARG 22 -7.885 -6.962 -3.390
198 2HG ARG 22 1HG ARG 22 -7.677 -6.471 -5.070
199 1HD ARG 22 2HD ARG 22 -6.090 -8.571 -3.561
200 2HD ARG 22 1HD ARG 22 -7.092 -8.800 -5.008
201 HE ARG 22 HE ARG 22 -4.430 -7.504 -4.940
202 1HH1 ARG 22 2HH1 ARG 22 -7.432 -7.747 -6.579
203 2HH1 ARG 22 1HH1 ARG 22 -6.732 -7.702 -8.163
204 1HH2 ARG 22 1HH2 ARG 22 -3.464 -7.674 -7.007
205 2HH2 ARG 22 2HH2 ARG 22 -4.486 -7.662 -8.405
206 H ARG 23 H ARG 23 -8.684 -4.299 -5.484
207 HA ARG 23 HA ARG 23 -9.302 -2.103 -3.540
208 1HB ARG 23 2HB ARG 23 -11.030 -1.572 -5.406
209 2HB ARG 23 1HB ARG 23 -9.338 -1.205 -5.733
210 1HG ARG 23 2HG ARG 23 -9.075 -3.205 -7.038
211 2HG ARG 23 1HG ARG 23 -10.647 -3.817 -6.525
212 1HD ARG 23 2HD ARG 23 -11.772 -1.957 -7.700
213 2HD ARG 23 1HD ARG 23 -10.194 -1.331 -8.216
214 HE ARG 23 HE ARG 23 -10.106 -3.062 -9.818
215 1HH1 ARG 23 1HH2 ARG 23 -10.028 -5.521 -8.565
216 2HH1 ARG 23 2HH2 ARG 23 -11.603 -6.222 -8.737
217 1HH2 ARG 23 2HH1 ARG 23 -13.148 -3.213 -9.502
218 2HH2 ARG 23 1HH1 ARG 23 -13.369 -4.915 -9.268
219 H ALA 24 H ALA 24 -9.698 -4.473 -2.398
220 HA ALA 24 HA ALA 24 -12.117 -5.885 -3.028
221 1HB ALA 24 1HB ALA 24 -10.048 -6.426 -1.515
222 2HB ALA 24 3HB ALA 24 -10.966 -5.594 -0.259
223 3HB ALA 24 2HB ALA 24 -11.632 -7.032 -1.032
224 H PHE 25 HN PHE 25 -13.883 -4.435 -3.271
225 HA PHE 25 HA PHE 25 -14.632 -2.196 -1.871
226 1HB PHE 25 2HB PHE 25 -16.055 -4.518 -3.087
227 2HB PHE 25 1HB PHE 25 -17.022 -3.399 -2.125
228 HD1 PHE 25 HD2 PHE 25 -15.719 -0.821 -2.605
229 HD2 PHE 25 HD1 PHE 25 -16.539 -4.033 -5.338
230 HE1 PHE 25 HE2 PHE 25 -15.739 0.790 -4.491
231 HE2 PHE 25 HE1 PHE 25 -16.559 -2.422 -7.224
232 HZ PHE 25 HZ PHE 25 -16.158 -0.012 -6.801
No H/Q in entry = 232
Start of MODEL 8
1 1H PHE 1 2H PHE 1 -9.942 2.466 3.012
2 2H PHE 1 1H PHE 1 -10.385 3.575 1.803
3 3H PHE 1 3H PHE 1 -11.470 2.358 2.275
4 HA PHE 1 HA PHE 1 -10.570 1.608 0.240
5 1HB PHE 1 2HB PHE 1 -8.672 3.411 0.764
6 2HB PHE 1 1HB PHE 1 -7.783 1.975 1.273
7 HD1 PHE 1 HD1 PHE 1 -9.075 -0.004 -0.639
8 HD2 PHE 1 HD2 PHE 1 -7.478 3.937 -1.247
9 HE1 PHE 1 HE1 PHE 1 -8.608 -0.558 -3.011
10 HE2 PHE 1 HE2 PHE 1 -7.011 3.382 -3.619
11 HZ PHE 1 HZ PHE 1 -7.577 1.135 -4.501
12 H LYS 2 H LYS 2 -11.127 -0.516 0.648
13 HA LYS 2 HA LYS 2 -9.719 -2.010 2.802
14 1HB LYS 2 2HB LYS 2 -12.272 -2.159 1.283
15 2HB LYS 2 1HB LYS 2 -11.578 -3.701 1.786
16 1HG LYS 2 2HG LYS 2 -11.739 -3.188 4.057
17 2HG LYS 2 1HG LYS 2 -11.762 -1.448 3.764
18 1HD LYS 2 2HD LYS 2 -14.001 -1.909 4.301
19 2HD LYS 2 1HD LYS 2 -14.011 -1.922 2.537
20 1HE LYS 2 2HE LYS 2 -15.137 -3.925 3.019
21 2HE LYS 2 1HE LYS 2 -13.465 -4.502 2.874
22 1HZ LYS 2 3HZ LYS 2 -13.346 -3.804 5.353
23 2HZ LYS 2 2HZ LYS 2 -15.036 -3.967 5.305
24 3HZ LYS 2 1HZ LYS 2 -14.041 -5.295 4.942
25 H CYS 3 H CYS 3 -7.664 -2.287 1.676
26 HA CYS 3 HA CYS 3 -7.627 -3.655 -0.935
27 1HB CYS 3 2HB CYS 3 -6.015 -1.873 0.272
28 2HB CYS 3 1HB CYS 3 -5.209 -3.356 0.775
29 H ARG 4 H ARG 4 -5.394 -5.299 -0.493
30 HA ARG 4 HA ARG 4 -6.182 -7.263 1.586
31 1HB ARG 4 2HB ARG 4 -7.567 -7.995 -0.170
32 2HB ARG 4 1HB ARG 4 -6.367 -7.601 -1.398
33 1HG ARG 4 2HG ARG 4 -5.712 -9.674 0.670
34 2HG ARG 4 1HG ARG 4 -6.741 -10.112 -0.694
35 1HD ARG 4 2HD ARG 4 -4.812 -8.851 -2.070
36 2HD ARG 4 1HD ARG 4 -3.846 -9.374 -0.674
37 HE ARG 4 HE ARG 4 -5.547 -11.284 -2.237
38 1HH1 ARG 4 2HH1 ARG 4 -3.574 -11.232 0.402
39 2HH1 ARG 4 1HH1 ARG 4 -2.427 -12.395 -0.175
40 1HH2 ARG 4 1HH2 ARG 4 -3.685 -12.427 -3.406
41 2HH2 ARG 4 2HH2 ARG 4 -2.490 -13.071 -2.330
42 H ARG 5 H ARG 5 -3.876 -6.264 -0.927
43 HA ARG 5 HA ARG 5 -1.729 -7.597 0.662
44 1HB ARG 5 2HB ARG 5 -2.817 -8.400 -1.898
45 2HB ARG 5 1HB ARG 5 -1.104 -8.010 -2.050
46 1HG ARG 5 2HG ARG 5 -2.175 -9.790 0.149
47 2HG ARG 5 1HG ARG 5 -1.637 -10.423 -1.407
48 1HD ARG 5 2HD ARG 5 0.490 -8.842 -0.790
49 2HD ARG 5 1HD ARG 5 -0.027 -9.333 0.836
50 HE ARG 5 HE ARG 5 0.279 -11.654 0.193
51 1HH1 ARG 5 1HH2 ARG 5 0.036 -10.057 -2.722
52 2HH1 ARG 5 2HH2 ARG 5 1.374 -10.852 -3.483
53 1HH2 ARG 5 2HH1 ARG 5 2.462 -12.386 -0.571
54 2HH2 ARG 5 1HH1 ARG 5 2.747 -12.170 -2.266
55 H TRP 6 H TRP 6 -1.268 -5.262 1.190
56 HA TRP 6 HA TRP 6 -0.546 -3.357 -0.816
57 1HB TRP 6 2HB TRP 6 0.159 -3.734 2.106
58 2HB TRP 6 1HB TRP 6 0.537 -2.274 1.192
59 HD1 TRP 6 HD1 TRP 6 -2.387 -4.261 2.537
60 HE1 TRP 6 HE1 TRP 6 -4.491 -2.772 2.454
61 HE3 TRP 6 HE3 TRP 6 -0.499 -0.303 0.034
62 HZ2 TRP 6 HZ2 TRP 6 -5.261 -0.186 1.450
63 HZ3 TRP 6 HZ3 TRP 6 -1.908 1.683 -0.489
64 HH2 TRP 6 HH2 TRP 6 -4.289 1.741 0.218
65 H GLN 7 H GLN 7 1.016 -4.124 -2.312
66 HA GLN 7 HA GLN 7 3.412 -5.549 -1.334
67 1HB GLN 7 2HB GLN 7 2.470 -6.385 -3.339
68 2HB GLN 7 1HB GLN 7 2.235 -4.768 -4.002
69 1HG GLN 7 2HG GLN 7 4.722 -4.493 -4.089
70 2HG GLN 7 1HG GLN 7 4.888 -6.168 -3.560
71 1HE2 GLN 7 2HE2 GLN 7 4.033 -5.371 -7.437
72 2HE2 GLN 7 1HE2 GLN 7 4.290 -4.128 -6.311
73 H TRP 8 H TRP 8 5.034 -4.283 -0.497
74 HA TRP 8 HA TRP 8 5.412 -1.526 -0.750
75 1HB TRP 8 2HB TRP 8 7.126 -3.909 -0.187
76 2HB TRP 8 1HB TRP 8 7.904 -2.335 -0.360
77 HD1 TRP 8 HD1 TRP 8 6.032 -4.402 2.041
78 HE1 TRP 8 HE1 TRP 8 5.445 -3.050 4.146
79 HE3 TRP 8 HE3 TRP 8 7.136 0.253 0.395
80 HZ2 TRP 8 HZ2 TRP 8 5.453 -0.322 5.024
81 HZ3 TRP 8 HZ3 TRP 8 6.850 2.231 1.864
82 HH2 TRP 8 HH2 TRP 8 6.004 1.948 4.179
83 H ARG 9 H ARG 9 5.415 -0.546 -2.781
84 HA ARG 9 HA ARG 9 6.705 -1.770 -5.102
85 1HB ARG 9 2HB ARG 9 5.396 0.883 -4.464
86 2HB ARG 9 1HB ARG 9 6.079 0.535 -6.051
87 1HG ARG 9 2HG ARG 9 4.636 -1.546 -6.109
88 2HG ARG 9 1HG ARG 9 3.839 -0.947 -4.654
89 1HD ARG 9 2HD ARG 9 2.459 -0.128 -6.394
90 2HD ARG 9 1HD ARG 9 3.517 1.256 -6.054
91 HE ARG 9 HE ARG 9 4.954 -0.197 -7.911
92 1HH1 ARG 9 2HH1 ARG 9 1.624 -0.231 -8.100
93 2HH1 ARG 9 1HH1 ARG 9 1.517 0.557 -9.639
94 1HH2 ARG 9 1HH2 ARG 9 4.883 1.380 -9.752
95 2HH2 ARG 9 2HH2 ARG 9 3.362 1.469 -10.574
96 H MET 10 H MET 10 8.207 -0.031 -6.365
97 HA MET 10 HA MET 10 10.563 0.322 -4.651
98 1HB MET 10 2HB MET 10 10.292 1.296 -7.482
99 2HB MET 10 1HB MET 10 11.689 0.579 -6.689
100 1HG MET 10 2HG MET 10 10.116 -1.537 -6.504
101 2HG MET 10 1HG MET 10 9.283 -0.772 -7.857
102 1HE MET 10 2HE MET 10 10.818 0.682 -9.319
103 2HE MET 10 1HE MET 10 12.550 0.639 -8.997
104 3HE MET 10 3HE MET 10 11.895 -0.155 -10.436
105 H LYS 11 H LYS 11 11.626 2.376 -4.360
106 HA LYS 11 HA LYS 11 10.274 4.869 -5.133
107 1HB LYS 11 2HB LYS 11 9.692 3.487 -2.681
108 2HB LYS 11 1HB LYS 11 10.493 5.012 -2.310
109 1HG LYS 11 2HG LYS 11 8.705 5.670 -4.346
110 2HG LYS 11 1HG LYS 11 7.803 4.548 -3.328
111 1HD LYS 11 2HD LYS 11 7.392 6.367 -2.033
112 2HD LYS 11 1HD LYS 11 9.040 6.128 -1.452
113 1HE LYS 11 2HE LYS 11 9.545 8.183 -2.266
114 2HE LYS 11 1HE LYS 11 9.270 7.544 -3.899
115 1HZ LYS 11 2HZ LYS 11 6.868 7.901 -3.541
116 2HZ LYS 11 1HZ LYS 11 7.219 8.665 -2.063
117 3HZ LYS 11 3HZ LYS 11 7.754 9.351 -3.519
118 H LYS 12 H LYS 12 11.459 6.399 -3.036
119 HA LYS 12 HA LYS 12 13.993 7.038 -4.067
120 1HB LYS 12 2HB LYS 12 13.212 7.274 -1.156
121 2HB LYS 12 1HB LYS 12 14.235 8.360 -2.091
122 1HG LYS 12 2HG LYS 12 11.778 8.207 -3.482
123 2HG LYS 12 1HG LYS 12 11.370 8.419 -1.779
124 1HD LYS 12 2HD LYS 12 11.660 10.605 -2.874
125 2HD LYS 12 1HD LYS 12 12.911 10.351 -1.657
126 1HE LYS 12 2HE LYS 12 14.512 9.678 -3.393
127 2HE LYS 12 1HE LYS 12 13.257 9.852 -4.636
128 1HZ LYS 12 2HZ LYS 12 12.944 12.174 -3.723
129 2HZ LYS 12 1HZ LYS 12 14.417 11.959 -2.906
130 3HZ LYS 12 3HZ LYS 12 14.374 11.906 -4.600
131 H LEU 13 H LEU 13 15.825 7.005 -2.021
132 HA LEU 13 HA LEU 13 16.943 4.369 -2.229
133 1HB LEU 13 2HB LEU 13 18.758 5.386 -0.944
134 2HB LEU 13 1HB LEU 13 18.188 6.522 -2.167
135 HG LEU 13 HG LEU 13 16.559 6.961 0.088
136 1HD1 LEU 13 2HD1 LEU 13 18.857 5.726 1.005
137 2HD1 LEU 13 1HD1 LEU 13 19.257 7.437 1.145
138 3HD1 LEU 13 3HD1 LEU 13 17.830 6.797 1.958
139 1HD2 LEU 13 2HD2 LEU 13 17.842 8.455 -1.748
140 2HD2 LEU 13 1HD2 LEU 13 17.240 9.137 -0.238
141 3HD2 LEU 13 3HD2 LEU 13 18.940 8.692 -0.388
142 H GLY 14 H GLY 14 16.892 2.697 -0.768
143 1HA GLY 14 2HA GLY 14 16.056 1.431 1.033
144 2HA GLY 14 1HA GLY 14 16.745 2.742 1.985
145 H ALA 15 H ALA 15 13.927 2.702 -0.200
146 HA ALA 15 HA ALA 15 12.068 2.953 2.057
147 1HB ALA 15 3HB ALA 15 13.148 5.190 1.854
148 2HB ALA 15 2HB ALA 15 12.562 5.291 0.193
149 3HB ALA 15 1HB ALA 15 11.415 5.247 1.531
150 HA PRO 16 HA PRO 16 10.119 1.214 -1.673
151 1HB PRO 16 2HB PRO 16 8.617 -0.619 -0.283
152 2HB PRO 16 1HB PRO 16 10.309 -0.901 -0.750
153 1HG PRO 16 2HG PRO 16 9.178 -0.100 1.880
154 2HG PRO 16 1HG PRO 16 10.535 -1.177 1.514
155 1HD PRO 16 2HD PRO 16 10.809 1.430 2.351
156 2HD PRO 16 1HD PRO 16 12.031 0.539 1.417
157 H SER 17 H SER 17 7.595 0.846 -1.966
158 HA SER 17 HA SER 17 6.050 2.795 -0.299
159 1HB SER 17 2HB SER 17 6.866 2.946 -3.098
160 2HB SER 17 1HB SER 17 5.117 3.053 -2.923
161 HG SER 17 HG SER 17 5.729 4.603 -1.137
162 H ILE 18 H ILE 18 4.798 1.126 0.675
163 HA ILE 18 HA ILE 18 3.665 -1.057 -0.869
164 HB ILE 18 HB ILE 18 4.220 -0.548 1.757
165 1HG1 ILE 18 2HG1 ILE 18 2.142 -2.531 0.802
166 2HG1 ILE 18 1HG1 ILE 18 3.877 -2.742 0.592
167 1HG2 ILE 18 1HG2 ILE 18 1.219 -0.301 1.436
168 2HG2 ILE 18 3HG2 ILE 18 2.038 -0.612 2.966
169 3HG2 ILE 18 2HG2 ILE 18 2.306 0.909 2.115
170 1HD1 ILE 18 3HD1 ILE 18 3.649 -2.108 3.279
171 2HD1 ILE 18 2HD1 ILE 18 2.233 -3.117 2.986
172 3HD1 ILE 18 1HD1 ILE 18 3.844 -3.735 2.626
173 H THR 19 H THR 19 2.087 -0.715 -2.339
174 HA THR 19 HA THR 19 0.044 1.409 -1.796
175 HB THR 19 HB THR 19 0.827 0.065 -4.403
176 HG1 THR 19 HG1 THR 19 2.083 1.914 -4.729
177 1HG2 THR 19 1HG2 THR 19 -1.013 2.267 -3.595
178 2HG2 THR 19 3HG2 THR 19 -0.117 2.470 -5.100
179 3HG2 THR 19 2HG2 THR 19 -1.180 1.079 -4.888
180 H CYS 20 H CYS 20 -2.146 0.774 -2.914
181 HA CYS 20 HA CYS 20 -2.995 -1.785 -1.780
182 1HB CYS 20 2HB CYS 20 -4.355 0.273 -1.712
183 2HB CYS 20 1HB CYS 20 -4.399 0.310 -3.474
184 H VAL 21 H VAL 21 -2.825 -3.701 -2.903
185 HA VAL 21 HA VAL 21 -2.791 -3.553 -5.886
186 HB VAL 21 HB VAL 21 -1.205 -5.282 -5.864
187 1HG1 VAL 21 2HG1 VAL 21 -0.854 -3.867 -3.206
188 2HG1 VAL 21 1HG1 VAL 21 0.382 -4.860 -3.976
189 3HG1 VAL 21 3HG1 VAL 21 -0.172 -3.380 -4.758
190 1HG2 VAL 21 2HG2 VAL 21 -2.451 -6.050 -3.219
191 2HG2 VAL 21 1HG2 VAL 21 -2.375 -6.997 -4.705
192 3HG2 VAL 21 3HG2 VAL 21 -0.914 -6.731 -3.754
193 H ARG 22 H ARG 22 -5.083 -3.733 -4.015
194 HA ARG 22 HA ARG 22 -6.570 -5.817 -5.443
195 1HB ARG 22 2HB ARG 22 -5.217 -6.910 -3.555
196 2HB ARG 22 1HB ARG 22 -6.278 -6.047 -2.440
197 1HG ARG 22 2HG ARG 22 -7.749 -7.739 -2.658
198 2HG ARG 22 1HG ARG 22 -7.999 -7.220 -4.325
199 1HD ARG 22 2HD ARG 22 -5.577 -8.882 -3.797
200 2HD ARG 22 1HD ARG 22 -7.149 -9.704 -3.744
201 HE ARG 22 HE ARG 22 -6.104 -8.185 -6.095
202 1HH1 ARG 22 2HH1 ARG 22 -9.133 -8.832 -5.113
203 2HH1 ARG 22 1HH1 ARG 22 -9.537 -9.972 -6.352
204 1HH2 ARG 22 1HH2 ARG 22 -6.276 -10.304 -7.480
205 2HH2 ARG 22 2HH2 ARG 22 -7.920 -10.806 -7.692
206 H ARG 23 H ARG 23 -8.012 -4.064 -5.977
207 HA ARG 23 HA ARG 23 -9.156 -2.387 -3.871
208 1HB ARG 23 2HB ARG 23 -9.757 -2.842 -6.812
209 2HB ARG 23 1HB ARG 23 -10.531 -1.595 -5.834
210 1HG ARG 23 2HG ARG 23 -8.302 -0.638 -5.315
211 2HG ARG 23 1HG ARG 23 -7.555 -1.859 -6.345
212 1HD ARG 23 2HD ARG 23 -8.009 -0.647 -8.206
213 2HD ARG 23 1HD ARG 23 -9.716 -0.490 -7.745
214 HE ARG 23 HE ARG 23 -8.943 1.359 -6.176
215 1HH1 ARG 23 1HH1 ARG 23 -5.708 2.474 -7.538
216 2HH1 ARG 23 2HH1 ARG 23 -6.127 1.436 -6.217
217 1HH2 ARG 23 1HH2 ARG 23 -8.821 2.250 -9.048
218 2HH2 ARG 23 2HH2 ARG 23 -7.233 2.935 -9.142
219 H ALA 24 H ALA 24 -9.697 -4.792 -2.894
220 HA ALA 24 HA ALA 24 -12.183 -5.961 -3.903
221 1HB ALA 24 2HB ALA 24 -10.253 -6.360 -1.643
222 2HB ALA 24 1HB ALA 24 -11.843 -7.117 -1.533
223 3HB ALA 24 3HB ALA 24 -10.772 -7.506 -2.880
224 H PHE 25 HN PHE 25 -13.337 -3.753 -3.739
225 HA PHE 25 HA PHE 25 -13.922 -2.267 -1.505
226 1HB PHE 25 2HB PHE 25 -15.943 -3.363 -3.486
227 2HB PHE 25 1HB PHE 25 -16.072 -1.852 -2.587
228 HD1 PHE 25 HD1 PHE 25 -13.511 -0.596 -2.760
229 HD2 PHE 25 HD2 PHE 25 -15.555 -2.915 -5.744
230 HE1 PHE 25 HE1 PHE 25 -12.241 0.574 -4.540
231 HE2 PHE 25 HE2 PHE 25 -14.285 -1.744 -7.523
232 HZ PHE 25 HZ PHE 25 -12.627 0.000 -6.921
No H/Q in entry = 232
Start of MODEL 9
1 1H PHE 1 1H PHE 1 -9.833 2.820 0.738
2 2H PHE 1 3H PHE 1 -11.242 3.387 -0.017
3 3H PHE 1 2H PHE 1 -11.275 2.956 1.625
4 HA PHE 1 HA PHE 1 -12.279 1.154 0.495
5 1HB PHE 1 2HB PHE 1 -11.123 0.222 -1.511
6 2HB PHE 1 1HB PHE 1 -11.541 1.923 -1.717
7 HD1 PHE 1 HD2 PHE 1 -8.746 -0.302 -0.598
8 HD2 PHE 1 HD1 PHE 1 -9.880 3.487 -2.272
9 HE1 PHE 1 HE2 PHE 1 -6.357 0.241 -0.989
10 HE2 PHE 1 HE1 PHE 1 -7.493 4.031 -2.663
11 HZ PHE 1 HZ PHE 1 -5.731 2.407 -2.022
12 H LYS 2 H LYS 2 -11.291 -1.222 0.286
13 HA LYS 2 HA LYS 2 -9.156 -1.475 2.382
14 1HB LYS 2 2HB LYS 2 -11.519 -3.248 1.672
15 2HB LYS 2 1HB LYS 2 -10.342 -3.597 2.939
16 1HG LYS 2 2HG LYS 2 -11.001 -1.140 3.731
17 2HG LYS 2 1HG LYS 2 -12.492 -1.521 2.868
18 1HD LYS 2 2HD LYS 2 -12.765 -2.207 5.176
19 2HD LYS 2 1HD LYS 2 -12.626 -3.660 4.184
20 1HE LYS 2 2HE LYS 2 -11.071 -4.210 5.808
21 2HE LYS 2 1HE LYS 2 -10.004 -3.257 4.759
22 1HZ LYS 2 2HZ LYS 2 -11.166 -1.311 6.114
23 2HZ LYS 2 1HZ LYS 2 -11.238 -2.526 7.299
24 3HZ LYS 2 3HZ LYS 2 -9.742 -2.063 6.652
25 H CYS 3 H CYS 3 -7.371 -1.694 0.947
26 HA CYS 3 HA CYS 3 -7.320 -3.239 -1.452
27 1HB CYS 3 2HB CYS 3 -5.662 -1.540 -0.184
28 2HB CYS 3 1HB CYS 3 -4.901 -3.063 0.274
29 H ARG 4 H ARG 4 -5.123 -4.951 -1.026
30 HA ARG 4 HA ARG 4 -5.915 -6.931 1.017
31 1HB ARG 4 2HB ARG 4 -7.459 -7.596 -0.609
32 2HB ARG 4 1HB ARG 4 -6.385 -7.168 -1.939
33 1HG ARG 4 2HG ARG 4 -5.599 -9.364 -0.042
34 2HG ARG 4 1HG ARG 4 -6.742 -9.698 -1.344
35 1HD ARG 4 2HD ARG 4 -4.828 -8.332 -2.726
36 2HD ARG 4 1HD ARG 4 -3.835 -9.144 -1.500
37 HE ARG 4 HE ARG 4 -5.872 -10.718 -3.012
38 1HH1 ARG 4 1HH2 ARG 4 -4.269 -12.330 -1.268
39 2HH1 ARG 4 2HH2 ARG 4 -2.912 -12.804 -2.234
40 1HH2 ARG 4 2HH1 ARG 4 -3.409 -10.337 -4.619
41 2HH2 ARG 4 1HH1 ARG 4 -2.425 -11.676 -4.131
42 H ARG 5 H ARG 5 -3.754 -6.028 -1.656
43 HA ARG 5 HA ARG 5 -1.608 -7.613 -0.297
44 1HB ARG 5 2HB ARG 5 -2.882 -8.053 -2.835
45 2HB ARG 5 1HB ARG 5 -1.184 -7.656 -3.103
46 1HG ARG 5 2HG ARG 5 -2.101 -9.716 -1.083
47 2HG ARG 5 1HG ARG 5 -1.649 -10.121 -2.738
48 1HD ARG 5 2HD ARG 5 0.492 -10.257 -1.991
49 2HD ARG 5 1HD ARG 5 0.446 -8.492 -1.802
50 HE ARG 5 HE ARG 5 -0.469 -8.904 0.514
51 1HH1 ARG 5 2HH1 ARG 5 -0.966 -10.999 1.743
52 2HH1 ARG 5 1HH1 ARG 5 0.397 -12.060 1.871
53 1HH2 ARG 5 1HH2 ARG 5 2.221 -10.445 -0.598
54 2HH2 ARG 5 2HH2 ARG 5 2.202 -11.746 0.547
55 H TRP 6 H TRP 6 -1.034 -5.354 0.496
56 HA TRP 6 HA TRP 6 -0.222 -3.287 -1.298
57 1HB TRP 6 2HB TRP 6 0.524 -4.024 1.550
58 2HB TRP 6 1HB TRP 6 0.923 -2.481 0.794
59 HD1 TRP 6 HD1 TRP 6 -2.123 -4.583 1.738
60 HE1 TRP 6 HE1 TRP 6 -4.133 -2.995 2.018
61 HE3 TRP 6 HE3 TRP 6 0.044 -0.265 0.301
62 HZ2 TRP 6 HZ2 TRP 6 -4.728 -0.198 1.683
63 HZ3 TRP 6 HZ3 TRP 6 -1.231 1.876 0.281
64 HH2 TRP 6 HH2 TRP 6 -3.616 1.909 0.970
65 H GLN 7 H GLN 7 1.221 -4.124 -2.911
66 HA GLN 7 HA GLN 7 3.552 -5.734 -2.119
67 1HB GLN 7 2HB GLN 7 2.563 -6.307 -4.183
68 2HB GLN 7 1HB GLN 7 2.376 -4.621 -4.664
69 1HG GLN 7 2HG GLN 7 4.219 -5.697 -5.907
70 2HG GLN 7 1HG GLN 7 4.825 -4.404 -4.871
71 1HE2 GLN 7 2HE2 GLN 7 7.166 -6.992 -3.971
72 2HE2 GLN 7 1HE2 GLN 7 6.934 -5.708 -5.058
73 H TRP 8 H TRP 8 5.075 -4.517 -0.984
74 HA TRP 8 HA TRP 8 5.677 -1.831 -1.034
75 1HB TRP 8 2HB TRP 8 7.271 -4.339 -0.727
76 2HB TRP 8 1HB TRP 8 8.119 -2.790 -0.734
77 HD1 TRP 8 HD1 TRP 8 6.140 -5.009 1.424
78 HE1 TRP 8 HE1 TRP 8 5.603 -3.873 3.665
79 HE3 TRP 8 HE3 TRP 8 7.471 -0.265 0.301
80 HZ2 TRP 8 HZ2 TRP 8 5.730 -1.261 4.836
81 HZ3 TRP 8 HZ3 TRP 8 7.263 1.555 1.977
82 HH2 TRP 8 HH2 TRP 8 6.390 1.059 4.246
83 H ARG 9 H ARG 9 5.707 -0.661 -2.958
84 HA ARG 9 HA ARG 9 6.945 -1.705 -5.392
85 1HB ARG 9 2HB ARG 9 5.766 0.940 -4.505
86 2HB ARG 9 1HB ARG 9 6.400 0.683 -6.130
87 1HG ARG 9 2HG ARG 9 4.827 -1.490 -5.951
88 2HG ARG 9 1HG ARG 9 3.947 -0.423 -4.857
89 1HD ARG 9 2HD ARG 9 3.061 -0.100 -7.107
90 2HD ARG 9 1HD ARG 9 4.005 1.343 -6.684
91 HE ARG 9 HE ARG 9 5.950 -0.023 -7.841
92 1HH1 ARG 9 2HH1 ARG 9 4.665 -2.180 -9.107
93 2HH1 ARG 9 1HH1 ARG 9 4.045 -1.549 -10.596
94 1HH2 ARG 9 1HH2 ARG 9 4.266 1.764 -9.591
95 2HH2 ARG 9 2HH2 ARG 9 3.819 0.684 -10.870
96 H MET 10 H MET 10 8.536 0.037 -6.490
97 HA MET 10 HA MET 10 10.909 0.121 -4.790
98 1HB MET 10 2HB MET 10 10.609 1.500 -7.447
99 2HB MET 10 1HB MET 10 12.005 0.650 -6.797
100 1HG MET 10 2HG MET 10 10.442 -1.452 -6.882
101 2HG MET 10 1HG MET 10 9.514 -0.491 -8.033
102 1HE MET 10 2HE MET 10 10.626 0.919 -9.765
103 2HE MET 10 1HE MET 10 11.713 0.190 -10.945
104 3HE MET 10 3HE MET 10 10.124 -0.526 -10.640
105 H LYS 11 H LYS 11 12.049 2.092 -4.246
106 HA LYS 11 HA LYS 11 10.674 4.681 -4.587
107 1HB LYS 11 2HB LYS 11 9.946 3.090 -2.485
108 2HB LYS 11 1HB LYS 11 11.257 4.021 -1.760
109 1HG LYS 11 2HG LYS 11 9.030 5.122 -1.492
110 2HG LYS 11 1HG LYS 11 10.180 6.115 -2.390
111 1HD LYS 11 2HD LYS 11 9.103 5.767 -4.424
112 2HD LYS 11 1HD LYS 11 8.378 4.248 -3.897
113 1HE LYS 11 2HE LYS 11 6.497 5.562 -3.685
114 2HE LYS 11 1HE LYS 11 7.231 5.978 -2.124
115 1HZ LYS 11 1HZ LYS 11 8.515 7.718 -3.379
116 2HZ LYS 11 3HZ LYS 11 7.481 7.437 -4.694
117 3HZ LYS 11 2HZ LYS 11 6.849 8.016 -3.228
118 H LYS 12 H LYS 12 12.024 6.433 -3.404
119 HA LYS 12 HA LYS 12 14.803 6.150 -4.157
120 1HB LYS 12 2HB LYS 12 13.664 8.226 -2.286
121 2HB LYS 12 1HB LYS 12 14.939 8.417 -3.486
122 1HG LYS 12 2HG LYS 12 13.377 9.149 -4.933
123 2HG LYS 12 1HG LYS 12 12.689 7.524 -4.926
124 1HD LYS 12 2HD LYS 12 10.887 8.221 -3.769
125 2HD LYS 12 1HD LYS 12 11.905 8.973 -2.540
126 1HE LYS 12 2HE LYS 12 12.257 10.848 -4.349
127 2HE LYS 12 1HE LYS 12 10.761 10.191 -5.043
128 1HZ LYS 12 2HZ LYS 12 11.124 10.957 -2.194
129 2HZ LYS 12 1HZ LYS 12 10.317 11.900 -3.354
130 3HZ LYS 12 3HZ LYS 12 9.690 10.390 -2.907
131 H LEU 13 H LEU 13 16.228 7.276 -2.102
132 HA LEU 13 HA LEU 13 16.989 5.143 -0.464
133 1HB LEU 13 2HB LEU 13 18.189 6.860 0.782
134 2HB LEU 13 1HB LEU 13 18.202 7.288 -0.929
135 HG LEU 13 HG LEU 13 15.837 8.323 0.429
136 1HD1 LEU 13 1HD1 LEU 13 17.888 8.301 2.160
137 2HD1 LEU 13 3HD1 LEU 13 18.323 9.752 1.257
138 3HD1 LEU 13 2HD1 LEU 13 16.760 9.654 2.070
139 1HD2 LEU 13 3HD2 LEU 13 17.866 9.096 -1.549
140 2HD2 LEU 13 2HD2 LEU 13 16.161 9.540 -1.459
141 3HD2 LEU 13 1HD2 LEU 13 17.356 10.436 -0.522
142 H GLY 14 H GLY 14 16.589 4.727 1.817
143 1HA GLY 14 2HA GLY 14 15.365 5.345 3.885
144 2HA GLY 14 1HA GLY 14 14.059 5.927 2.857
145 H ALA 15 H ALA 15 13.111 4.195 1.383
146 HA ALA 15 HA ALA 15 13.383 1.401 2.063
147 1HB ALA 15 3HB ALA 15 12.118 2.957 3.977
148 2HB ALA 15 2HB ALA 15 10.769 2.263 3.078
149 3HB ALA 15 1HB ALA 15 11.966 1.206 3.825
150 HA PRO 16 HA PRO 16 10.694 0.833 -1.367
151 1HB PRO 16 2HB PRO 16 8.929 -1.126 -0.563
152 2HB PRO 16 1HB PRO 16 10.640 -1.438 -0.936
153 1HG PRO 16 2HG PRO 16 9.299 -1.121 1.698
154 2HG PRO 16 1HG PRO 16 10.601 -2.219 1.218
155 1HD PRO 16 2HD PRO 16 10.999 0.074 2.643
156 2HD PRO 16 1HD PRO 16 12.228 -0.660 1.588
157 H SER 17 H SER 17 8.141 0.578 -1.913
158 HA SER 17 HA SER 17 6.602 2.450 -0.148
159 1HB SER 17 2HB SER 17 7.766 3.205 -2.465
160 2HB SER 17 1HB SER 17 6.256 2.565 -3.107
161 HG SER 17 HG SER 17 5.145 3.956 -1.704
162 H ILE 18 H ILE 18 5.233 0.781 0.649
163 HA ILE 18 HA ILE 18 4.020 -1.197 -1.114
164 HB ILE 18 HB ILE 18 4.565 -0.947 1.568
165 1HG1 ILE 18 2HG1 ILE 18 2.511 -2.787 0.317
166 2HG1 ILE 18 1HG1 ILE 18 4.254 -3.028 0.255
167 1HG2 ILE 18 3HG2 ILE 18 2.577 0.536 1.867
168 2HG2 ILE 18 2HG2 ILE 18 1.554 -0.783 1.297
169 3HG2 ILE 18 1HG2 ILE 18 2.470 -0.962 2.794
170 1HD1 ILE 18 3HD1 ILE 18 3.842 -2.641 2.940
171 2HD1 ILE 18 2HD1 ILE 18 2.371 -3.495 2.471
172 3HD1 ILE 18 1HD1 ILE 18 3.949 -4.221 2.163
173 H THR 19 H THR 19 2.442 -0.657 -2.528
174 HA THR 19 HA THR 19 0.573 1.572 -1.831
175 HB THR 19 HB THR 19 1.956 1.720 -3.902
176 HG1 THR 19 HG1 THR 19 -0.004 1.803 -5.344
177 1HG2 THR 19 3HG2 THR 19 0.415 -0.777 -4.660
178 2HG2 THR 19 2HG2 THR 19 1.432 0.153 -5.759
179 3HG2 THR 19 1HG2 THR 19 2.153 -0.671 -4.376
180 H CYS 20 H CYS 20 -1.435 0.790 -3.706
181 HA CYS 20 HA CYS 20 -2.566 -1.586 -2.275
182 1HB CYS 20 2HB CYS 20 -3.762 0.553 -2.062
183 2HB CYS 20 1HB CYS 20 -3.840 0.699 -3.818
184 H VAL 21 H VAL 21 -2.547 -3.457 -3.481
185 HA VAL 21 HA VAL 21 -2.665 -3.185 -6.457
186 HB VAL 21 HB VAL 21 -1.201 -5.021 -6.592
187 1HG1 VAL 21 3HG1 VAL 21 -0.579 -3.677 -3.947
188 2HG1 VAL 21 2HG1 VAL 21 0.537 -4.729 -4.815
189 3HG1 VAL 21 1HG1 VAL 21 0.021 -3.207 -5.538
190 1HG2 VAL 21 2HG2 VAL 21 -2.250 -5.765 -3.851
191 2HG2 VAL 21 1HG2 VAL 21 -2.421 -6.667 -5.357
192 3HG2 VAL 21 3HG2 VAL 21 -0.846 -6.549 -4.575
193 H ARG 22 H ARG 22 -4.883 -3.262 -4.537
194 HA ARG 22 HA ARG 22 -6.533 -5.263 -5.907
195 1HB ARG 22 2HB ARG 22 -5.186 -5.808 -3.408
196 2HB ARG 22 1HB ARG 22 -6.933 -5.843 -3.165
197 1HG ARG 22 2HG ARG 22 -6.438 -7.162 -5.623
198 2HG ARG 22 1HG ARG 22 -5.265 -7.795 -4.467
199 1HD ARG 22 2HD ARG 22 -6.890 -8.755 -3.141
200 2HD ARG 22 1HD ARG 22 -8.082 -7.494 -3.512
201 HE ARG 22 HE ARG 22 -7.298 -9.218 -5.775
202 1HH1 ARG 22 2HH1 ARG 22 -9.624 -8.455 -6.676
203 2HH1 ARG 22 1HH1 ARG 22 -10.890 -9.329 -5.881
204 1HH2 ARG 22 1HH2 ARG 22 -8.880 -10.371 -3.253
205 2HH2 ARG 22 2HH2 ARG 22 -10.470 -10.414 -3.943
206 H ARG 23 H ARG 23 -8.557 -4.341 -6.082
207 HA ARG 23 HA ARG 23 -9.227 -2.105 -4.224
208 1HB ARG 23 2HB ARG 23 -10.318 -2.938 -6.934
209 2HB ARG 23 1HB ARG 23 -10.737 -1.463 -6.069
210 1HG ARG 23 2HG ARG 23 -8.297 -0.839 -6.094
211 2HG ARG 23 1HG ARG 23 -8.014 -2.227 -7.146
212 1HD ARG 23 2HD ARG 23 -8.344 -0.030 -8.382
213 2HD ARG 23 1HD ARG 23 -9.490 -1.302 -8.854
214 HE ARG 23 HE ARG 23 -11.214 -0.041 -7.842
215 1HH1 ARG 23 2HH1 ARG 23 -9.787 0.073 -5.155
216 2HH1 ARG 23 1HH1 ARG 23 -9.641 1.784 -4.923
217 1HH2 ARG 23 1HH2 ARG 23 -10.305 2.557 -8.238
218 2HH2 ARG 23 2HH2 ARG 23 -9.935 3.190 -6.669
219 H ALA 24 H ALA 24 -9.619 -4.468 -2.958
220 HA ALA 24 HA ALA 24 -12.169 -5.737 -3.463
221 1HB ALA 24 2HB ALA 24 -9.950 -5.799 -1.533
222 2HB ALA 24 1HB ALA 24 -11.515 -6.184 -0.815
223 3HB ALA 24 3HB ALA 24 -10.913 -7.130 -2.176
224 H PHE 25 HN PHE 25 -14.053 -4.570 -3.259
225 HA PHE 25 HA PHE 25 -14.582 -2.173 -2.030
226 1HB PHE 25 2HB PHE 25 -16.102 -4.678 -2.564
227 2HB PHE 25 1HB PHE 25 -16.880 -3.492 -1.517
228 HD1 PHE 25 HD2 PHE 25 -15.108 -3.801 -4.800
229 HD2 PHE 25 HD1 PHE 25 -17.972 -1.633 -2.446
230 HE1 PHE 25 HE2 PHE 25 -15.706 -2.439 -6.783
231 HE2 PHE 25 HE1 PHE 25 -18.571 -0.269 -4.430
232 HZ PHE 25 HZ PHE 25 -17.438 -0.672 -6.598
No H/Q in entry = 232
Start of MODEL 10
1 1H PHE 1 2H PHE 1 -7.907 3.813 0.962
2 2H PHE 1 1H PHE 1 -8.509 4.996 -0.098
3 3H PHE 1 3H PHE 1 -9.468 4.445 1.188
4 HA PHE 1 HA PHE 1 -10.386 3.206 -0.484
5 1HB PHE 1 2HB PHE 1 -8.944 4.280 -2.148
6 2HB PHE 1 1HB PHE 1 -7.582 3.278 -1.645
7 HD1 PHE 1 HD1 PHE 1 -11.165 2.330 -2.114
8 HD2 PHE 1 HD2 PHE 1 -7.125 1.904 -3.508
9 HE1 PHE 1 HE1 PHE 1 -11.894 0.550 -3.680
10 HE2 PHE 1 HE2 PHE 1 -7.854 0.125 -5.075
11 HZ PHE 1 HZ PHE 1 -10.237 -0.552 -5.161
12 H LYS 2 H LYS 2 -10.823 1.065 -0.054
13 HA LYS 2 HA LYS 2 -9.257 -0.466 1.784
14 1HB LYS 2 2HB LYS 2 -11.416 -1.176 -0.226
15 2HB LYS 2 1HB LYS 2 -10.833 -2.290 1.011
16 1HG LYS 2 2HG LYS 2 -12.218 0.368 1.431
17 2HG LYS 2 1HG LYS 2 -12.786 -1.230 1.918
18 1HD LYS 2 2HD LYS 2 -10.553 -1.323 3.282
19 2HD LYS 2 1HD LYS 2 -10.579 0.432 3.107
20 1HE LYS 2 2HE LYS 2 -12.794 0.543 4.152
21 2HE LYS 2 1HE LYS 2 -12.852 -1.228 4.260
22 1HZ LYS 2 1HZ LYS 2 -10.579 0.305 5.364
23 2HZ LYS 2 3HZ LYS 2 -11.981 0.046 6.283
24 3HZ LYS 2 2HZ LYS 2 -11.070 -1.279 5.734
25 H CYS 3 H CYS 3 -8.644 -2.871 1.019
26 HA CYS 3 HA CYS 3 -7.604 -3.226 -1.655
27 1HB CYS 3 2HB CYS 3 -6.181 -1.423 -0.232
28 2HB CYS 3 1HB CYS 3 -5.370 -2.903 0.274
29 H ARG 4 H ARG 4 -5.362 -4.798 -0.981
30 HA ARG 4 HA ARG 4 -6.166 -6.769 1.046
31 1HB ARG 4 2HB ARG 4 -7.656 -7.522 -0.596
32 2HB ARG 4 1HB ARG 4 -6.560 -7.109 -1.912
33 1HG ARG 4 2HG ARG 4 -5.735 -9.208 0.068
34 2HG ARG 4 1HG ARG 4 -6.876 -9.631 -1.210
35 1HD ARG 4 2HD ARG 4 -5.038 -8.310 -2.696
36 2HD ARG 4 1HD ARG 4 -3.987 -8.948 -1.417
37 HE ARG 4 HE ARG 4 -5.865 -10.689 -2.975
38 1HH1 ARG 4 1HH2 ARG 4 -4.464 -11.680 -0.450
39 2HH1 ARG 4 2HH2 ARG 4 -3.111 -12.522 -1.130
40 1HH2 ARG 4 2HH1 ARG 4 -3.439 -11.067 -4.260
41 2HH2 ARG 4 1HH1 ARG 4 -2.531 -12.175 -3.287
42 H ARG 5 H ARG 5 -3.975 -5.866 -1.603
43 HA ARG 5 HA ARG 5 -1.814 -7.353 -0.157
44 1HB ARG 5 2HB ARG 5 -3.026 -7.944 -2.675
45 2HB ARG 5 1HB ARG 5 -1.366 -7.430 -2.976
46 1HG ARG 5 2HG ARG 5 -1.019 -9.051 -0.806
47 2HG ARG 5 1HG ARG 5 -2.365 -9.854 -1.615
48 1HD ARG 5 2HD ARG 5 -0.847 -10.778 -3.026
49 2HD ARG 5 1HD ARG 5 -0.552 -9.150 -3.670
50 HE ARG 5 HE ARG 5 0.932 -10.289 -1.329
51 1HH1 ARG 5 2HH1 ARG 5 1.897 -7.897 -0.912
52 2HH1 ARG 5 1HH1 ARG 5 2.955 -7.447 -2.209
53 1HH2 ARG 5 1HH2 ARG 5 1.752 -9.867 -4.383
54 2HH2 ARG 5 2HH2 ARG 5 2.872 -8.563 -4.172
55 H TRP 6 H TRP 6 -1.284 -5.082 0.594
56 HA TRP 6 HA TRP 6 -0.516 -3.023 -1.227
57 1HB TRP 6 2HB TRP 6 0.236 -3.707 1.631
58 2HB TRP 6 1HB TRP 6 0.614 -2.168 0.856
59 HD1 TRP 6 HD1 TRP 6 -2.405 -4.306 1.814
60 HE1 TRP 6 HE1 TRP 6 -4.440 -2.743 2.065
61 HE3 TRP 6 HE3 TRP 6 -0.294 0.023 0.327
62 HZ2 TRP 6 HZ2 TRP 6 -5.073 0.041 1.687
63 HZ3 TRP 6 HZ3 TRP 6 -1.599 2.145 0.271
64 HH2 TRP 6 HH2 TRP 6 -3.989 2.154 0.949
65 H GLN 7 H GLN 7 0.939 -3.845 -2.829
66 HA GLN 7 HA GLN 7 3.288 -5.422 -2.050
67 1HB GLN 7 2HB GLN 7 2.340 -5.977 -4.129
68 2HB GLN 7 1HB GLN 7 2.090 -4.290 -4.571
69 1HG GLN 7 2HG GLN 7 4.203 -4.065 -5.392
70 2HG GLN 7 1HG GLN 7 4.910 -5.032 -4.097
71 1HE2 GLN 7 2HE2 GLN 7 5.173 -7.855 -6.168
72 2HE2 GLN 7 1HE2 GLN 7 5.752 -6.980 -4.833
73 H TRP 8 H TRP 8 4.807 -4.229 -0.897
74 HA TRP 8 HA TRP 8 5.377 -1.517 -0.928
75 1HB TRP 8 2HB TRP 8 6.934 -4.030 -0.504
76 2HB TRP 8 1HB TRP 8 7.811 -2.499 -0.526
77 HD1 TRP 8 HD1 TRP 8 5.754 -4.629 1.652
78 HE1 TRP 8 HE1 TRP 8 5.165 -3.406 3.834
79 HE3 TRP 8 HE3 TRP 8 7.142 0.075 0.395
80 HZ2 TRP 8 HZ2 TRP 8 5.278 -0.755 4.915
81 HZ3 TRP 8 HZ3 TRP 8 6.903 1.950 2.001
82 HH2 TRP 8 HH2 TRP 8 5.968 1.540 4.262
83 H ARG 9 H ARG 9 5.512 -0.368 -2.867
84 HA ARG 9 HA ARG 9 6.855 -1.448 -5.228
85 1HB ARG 9 2HB ARG 9 5.620 1.192 -4.413
86 2HB ARG 9 1HB ARG 9 6.384 0.968 -5.987
87 1HG ARG 9 2HG ARG 9 4.845 -1.180 -6.081
88 2HG ARG 9 1HG ARG 9 3.890 -0.288 -4.896
89 1HD ARG 9 2HD ARG 9 2.957 0.424 -6.945
90 2HD ARG 9 1HD ARG 9 4.141 1.703 -6.607
91 HE ARG 9 HE ARG 9 5.474 -0.404 -7.986
92 1HH1 ARG 9 1HH2 ARG 9 4.870 2.706 -8.496
93 2HH1 ARG 9 2HH2 ARG 9 4.400 2.600 -10.160
94 1HH2 ARG 9 2HH1 ARG 9 4.092 -0.854 -10.128
95 2HH2 ARG 9 1HH1 ARG 9 3.961 0.585 -11.084
96 H MET 10 H MET 10 8.483 0.347 -6.260
97 HA MET 10 HA MET 10 10.771 0.416 -4.421
98 1HB MET 10 2HB MET 10 10.669 1.653 -7.160
99 2HB MET 10 1HB MET 10 12.003 0.815 -6.377
100 1HG MET 10 2HG MET 10 10.458 -1.274 -6.458
101 2HG MET 10 1HG MET 10 9.545 -0.364 -7.661
102 1HE MET 10 1HE MET 10 10.134 0.514 -9.500
103 2HE MET 10 3HE MET 10 11.625 0.399 -10.447
104 3HE MET 10 2HE MET 10 10.448 -0.911 -10.487
105 H LYS 11 H LYS 11 11.920 2.376 -3.905
106 HA LYS 11 HA LYS 11 10.719 4.999 -4.484
107 1HB LYS 11 2HB LYS 11 9.970 3.433 -2.200
108 2HB LYS 11 1HB LYS 11 10.856 4.854 -1.649
109 1HG LYS 11 2HG LYS 11 9.016 5.561 -3.773
110 2HG LYS 11 1HG LYS 11 8.167 4.768 -2.447
111 1HD LYS 11 2HD LYS 11 10.187 6.908 -1.844
112 2HD LYS 11 1HD LYS 11 8.559 7.361 -2.351
113 1HE LYS 11 2HE LYS 11 8.333 5.285 -0.380
114 2HE LYS 11 1HE LYS 11 9.394 6.561 0.253
115 1HZ LYS 11 1HZ LYS 11 7.770 8.210 -0.448
116 2HZ LYS 11 3HZ LYS 11 6.747 6.990 -1.032
117 3HZ LYS 11 2HZ LYS 11 7.063 7.106 0.633
118 H LYS 12 H LYS 12 11.905 6.262 -2.216
119 HA LYS 12 HA LYS 12 14.503 6.856 -3.107
120 1HB LYS 12 2HB LYS 12 13.635 6.870 -0.211
121 2HB LYS 12 1HB LYS 12 14.741 7.983 -1.013
122 1HG LYS 12 2HG LYS 12 12.468 8.240 -2.545
123 2HG LYS 12 1HG LYS 12 11.802 8.014 -0.927
124 1HD LYS 12 2HD LYS 12 13.063 9.866 -0.059
125 2HD LYS 12 1HD LYS 12 14.006 9.995 -1.544
126 1HE LYS 12 2HE LYS 12 12.393 11.224 -2.577
127 2HE LYS 12 1HE LYS 12 11.099 10.157 -1.995
128 1HZ LYS 12 1HZ LYS 12 12.521 11.787 -0.025
129 2HZ LYS 12 3HZ LYS 12 11.407 12.578 -1.030
130 3HZ LYS 12 2HZ LYS 12 10.897 11.289 -0.048
131 H LEU 13 H LEU 13 16.257 6.537 -1.016
132 HA LEU 13 HA LEU 13 17.238 3.870 -1.433
133 1HB LEU 13 2HB LEU 13 19.052 4.665 0.020
134 2HB LEU 13 1HB LEU 13 18.612 5.914 -1.145
135 HG LEU 13 HG LEU 13 16.912 6.254 1.101
136 1HD1 LEU 13 3HD1 LEU 13 18.751 4.861 2.231
137 2HD1 LEU 13 2HD1 LEU 13 19.816 6.237 1.942
138 3HD1 LEU 13 1HD1 LEU 13 18.389 6.425 2.961
139 1HD2 LEU 13 2HD2 LEU 13 19.252 7.740 -0.096
140 2HD2 LEU 13 1HD2 LEU 13 17.536 8.126 -0.209
141 3HD2 LEU 13 3HD2 LEU 13 18.396 8.367 1.313
142 H GLY 14 H GLY 14 17.085 2.085 -0.111
143 1HA GLY 14 2HA GLY 14 16.125 0.711 1.542
144 2HA GLY 14 1HA GLY 14 16.818 1.911 2.628
145 H ALA 15 H ALA 15 14.102 2.171 0.330
146 HA ALA 15 HA ALA 15 12.147 2.293 2.511
147 1HB ALA 15 3HB ALA 15 13.529 4.525 2.265
148 2HB ALA 15 2HB ALA 15 12.452 4.801 0.895
149 3HB ALA 15 1HB ALA 15 11.784 4.594 2.514
150 HA PRO 16 HA PRO 16 10.285 1.019 -1.434
151 1HB PRO 16 2HB PRO 16 8.608 -0.827 -0.288
152 2HB PRO 16 1HB PRO 16 10.304 -1.172 -0.691
153 1HG PRO 16 2HG PRO 16 9.073 -0.545 1.937
154 2HG PRO 16 1HG PRO 16 10.398 -1.650 1.545
155 1HD PRO 16 2HD PRO 16 10.726 0.868 2.623
156 2HD PRO 16 1HD PRO 16 11.970 -0.013 1.712
157 H SER 17 H SER 17 7.762 0.824 -1.878
158 HA SER 17 HA SER 17 6.260 2.756 -0.148
159 1HB SER 17 2HB SER 17 5.435 3.182 -2.790
160 2HB SER 17 1HB SER 17 6.486 4.233 -1.849
161 HG SER 17 HG SER 17 7.324 3.426 -3.925
162 H ILE 18 H ILE 18 4.876 1.131 0.708
163 HA ILE 18 HA ILE 18 3.670 -0.903 -0.991
164 HB ILE 18 HB ILE 18 4.194 -0.550 1.688
165 1HG1 ILE 18 2HG1 ILE 18 2.212 -2.463 0.426
166 2HG1 ILE 18 1HG1 ILE 18 3.958 -2.685 0.493
167 1HG2 ILE 18 3HG2 ILE 18 2.186 0.912 1.923
168 2HG2 ILE 18 2HG2 ILE 18 1.184 -0.434 1.377
169 3HG2 ILE 18 1HG2 ILE 18 2.082 -0.558 2.890
170 1HD1 ILE 18 3HD1 ILE 18 3.443 -2.239 3.116
171 2HD1 ILE 18 2HD1 ILE 18 1.927 -2.999 2.631
172 3HD1 ILE 18 1HD1 ILE 18 3.455 -3.848 2.396
173 H THR 19 H THR 19 2.118 -0.396 -2.442
174 HA THR 19 HA THR 19 0.225 1.838 -1.825
175 HB THR 19 HB THR 19 1.586 2.024 -3.867
176 HG1 THR 19 HG1 THR 19 -0.378 2.874 -4.197
177 1HG2 THR 19 1HG2 THR 19 0.392 -0.689 -4.466
178 2HG2 THR 19 3HG2 THR 19 1.167 0.313 -5.692
179 3HG2 THR 19 2HG2 THR 19 2.100 -0.275 -4.317
180 H CYS 20 H CYS 20 -1.769 1.014 -3.685
181 HA CYS 20 HA CYS 20 -2.881 -1.355 -2.232
182 1HB CYS 20 2HB CYS 20 -4.109 0.770 -2.070
183 2HB CYS 20 1HB CYS 20 -4.168 0.886 -3.830
184 H VAL 21 H VAL 21 -2.915 -3.250 -3.405
185 HA VAL 21 HA VAL 21 -2.966 -3.019 -6.387
186 HB VAL 21 HB VAL 21 -1.461 -4.823 -6.485
187 1HG1 VAL 21 3HG1 VAL 21 -0.892 -3.431 -3.853
188 2HG1 VAL 21 2HG1 VAL 21 0.256 -4.464 -4.700
189 3HG1 VAL 21 1HG1 VAL 21 -0.294 -2.963 -5.444
190 1HG2 VAL 21 1HG2 VAL 21 -2.511 -5.551 -3.742
191 2HG2 VAL 21 3HG2 VAL 21 -2.656 -6.476 -5.235
192 3HG2 VAL 21 2HG2 VAL 21 -1.086 -6.314 -4.447
193 H ARG 22 H ARG 22 -5.211 -3.116 -4.503
194 HA ARG 22 HA ARG 22 -6.790 -5.174 -5.868
195 1HB ARG 22 2HB ARG 22 -5.438 -6.227 -3.919
196 2HB ARG 22 1HB ARG 22 -6.552 -5.356 -2.863
197 1HG ARG 22 2HG ARG 22 -8.062 -6.997 -3.143
198 2HG ARG 22 1HG ARG 22 -8.132 -6.606 -4.862
199 1HD ARG 22 2HD ARG 22 -5.833 -8.024 -4.849
200 2HD ARG 22 1HD ARG 22 -6.664 -8.802 -3.487
201 HE ARG 22 HE ARG 22 -8.641 -9.067 -5.065
202 1HH1 ARG 22 1HH2 ARG 22 -6.699 -7.436 -7.042
203 2HH1 ARG 22 2HH2 ARG 22 -6.436 -8.683 -8.214
204 1HH2 ARG 22 2HH1 ARG 22 -7.764 -11.197 -6.229
205 2HH2 ARG 22 1HH1 ARG 22 -7.039 -10.813 -7.754
206 H ARG 23 H ARG 23 -9.009 -4.652 -5.761
207 HA ARG 23 HA ARG 23 -9.660 -2.125 -4.319
208 1HB ARG 23 2HB ARG 23 -11.022 -3.631 -6.578
209 2HB ARG 23 1HB ARG 23 -11.483 -2.040 -5.984
210 1HG ARG 23 2HG ARG 23 -9.165 -1.234 -6.540
211 2HG ARG 23 1HG ARG 23 -8.866 -2.796 -7.302
212 1HD ARG 23 2HD ARG 23 -11.368 -1.786 -8.286
213 2HD ARG 23 1HD ARG 23 -10.132 -0.525 -8.467
214 HE ARG 23 HE ARG 23 -9.206 -3.197 -9.227
215 1HH1 ARG 23 1HH2 ARG 23 -9.449 0.002 -10.137
216 2HH1 ARG 23 2HH2 ARG 23 -9.631 -0.300 -11.832
217 1HH2 ARG 23 2HH1 ARG 23 -10.003 -3.726 -11.454
218 2HH2 ARG 23 1HH1 ARG 23 -9.945 -2.409 -12.578
219 H ALA 24 H ALA 24 -9.595 -4.165 -2.538
220 HA ALA 24 HA ALA 24 -11.866 -5.848 -2.280
221 1HB ALA 24 2HB ALA 24 -9.572 -5.028 -0.804
222 2HB ALA 24 1HB ALA 24 -10.963 -4.870 0.270
223 3HB ALA 24 3HB ALA 24 -10.609 -6.420 -0.493
224 H PHE 25 HN PHE 25 -13.987 -5.336 -1.909
225 HA PHE 25 HA PHE 25 -15.174 -2.861 -1.876
226 1HB PHE 25 2HB PHE 25 -16.957 -4.049 -0.460
227 2HB PHE 25 1HB PHE 25 -16.478 -4.862 -1.951
228 HD1 PHE 25 HD2 PHE 25 -15.931 -4.783 1.731
229 HD2 PHE 25 HD1 PHE 25 -15.422 -6.996 -1.916
230 HE1 PHE 25 HE2 PHE 25 -15.232 -6.773 3.036
231 HE2 PHE 25 HE1 PHE 25 -14.723 -8.986 -0.609
232 HZ PHE 25 HZ PHE 25 -14.629 -8.873 1.866
No H/Q in entry = 232
Start of MODEL 11
1 1H PHE 1 2H PHE 1 -6.326 2.488 1.992
2 2H PHE 1 1H PHE 1 -7.186 3.953 1.991
3 3H PHE 1 3H PHE 1 -7.591 2.734 3.099
4 HA PHE 1 HA PHE 1 -9.214 2.757 1.318
5 1HB PHE 1 2HB PHE 1 -7.785 3.871 -0.302
6 2HB PHE 1 1HB PHE 1 -6.676 2.499 -0.325
7 HD1 PHE 1 HD1 PHE 1 -10.025 3.699 -1.322
8 HD2 PHE 1 HD2 PHE 1 -7.217 0.455 -1.513
9 HE1 PHE 1 HE1 PHE 1 -11.380 2.632 -3.103
10 HE2 PHE 1 HE2 PHE 1 -8.571 -0.613 -3.295
11 HZ PHE 1 HZ PHE 1 -10.653 0.475 -4.090
12 H LYS 2 H LYS 2 -10.229 0.778 1.302
13 HA LYS 2 HA LYS 2 -9.282 -1.565 2.426
14 1HB LYS 2 2HB LYS 2 -11.365 -0.768 0.490
15 2HB LYS 2 1HB LYS 2 -10.946 -2.481 0.441
16 1HG LYS 2 2HG LYS 2 -11.576 -2.834 2.672
17 2HG LYS 2 1HG LYS 2 -11.436 -1.123 3.081
18 1HD LYS 2 2HD LYS 2 -13.345 -1.025 1.135
19 2HD LYS 2 1HD LYS 2 -13.698 -2.590 1.869
20 1HE LYS 2 2HE LYS 2 -13.244 -0.929 4.066
21 2HE LYS 2 1HE LYS 2 -14.171 0.084 2.943
22 1HZ LYS 2 1HZ LYS 2 -15.437 -2.201 2.615
23 2HZ LYS 2 3HZ LYS 2 -14.917 -2.440 4.212
24 3HZ LYS 2 2HZ LYS 2 -15.881 -1.095 3.827
25 H CYS 3 H CYS 3 -8.384 -3.542 1.534
26 HA CYS 3 HA CYS 3 -7.450 -3.688 -1.224
27 1HB CYS 3 2HB CYS 3 -5.983 -2.042 0.326
28 2HB CYS 3 1HB CYS 3 -5.200 -3.570 0.719
29 H ARG 4 H ARG 4 -5.229 -5.349 -0.738
30 HA ARG 4 HA ARG 4 -6.171 -7.530 1.038
31 1HB ARG 4 2HB ARG 4 -7.401 -8.057 -0.907
32 2HB ARG 4 1HB ARG 4 -6.084 -7.573 -1.973
33 1HG ARG 4 2HG ARG 4 -5.361 -9.727 -0.107
34 2HG ARG 4 1HG ARG 4 -6.633 -10.168 -1.247
35 1HD ARG 4 2HD ARG 4 -4.765 -8.760 -2.800
36 2HD ARG 4 1HD ARG 4 -3.792 -9.808 -1.750
37 HE ARG 4 HE ARG 4 -6.114 -10.882 -3.307
38 1HH1 ARG 4 2HH1 ARG 4 -5.556 -13.198 -2.316
39 2HH1 ARG 4 1HH1 ARG 4 -4.042 -13.780 -2.924
40 1HH2 ARG 4 1HH2 ARG 4 -2.990 -10.669 -4.036
41 2HH2 ARG 4 2HH2 ARG 4 -2.589 -12.348 -3.897
42 H ARG 5 H ARG 5 -3.686 -6.281 -1.179
43 HA ARG 5 HA ARG 5 -1.635 -7.638 0.485
44 1HB ARG 5 2HB ARG 5 -2.096 -9.310 -1.145
45 2HB ARG 5 1HB ARG 5 -2.182 -8.120 -2.445
46 1HG ARG 5 2HG ARG 5 0.178 -7.721 -2.360
47 2HG ARG 5 1HG ARG 5 0.340 -8.617 -0.849
48 1HD ARG 5 2HD ARG 5 -0.326 -9.746 -3.588
49 2HD ARG 5 1HD ARG 5 1.090 -10.110 -2.581
50 HE ARG 5 HE ARG 5 -1.699 -10.977 -1.992
51 1HH1 ARG 5 1HH2 ARG 5 1.080 -10.268 -0.287
52 2HH1 ARG 5 2HH2 ARG 5 1.283 -11.845 0.403
53 1HH2 ARG 5 2HH1 ARG 5 -1.195 -13.302 -1.537
54 2HH2 ARG 5 1HH1 ARG 5 -0.006 -13.562 -0.306
55 H TRP 6 H TRP 6 -0.969 -5.456 1.049
56 HA TRP 6 HA TRP 6 -0.296 -3.456 -0.888
57 1HB TRP 6 2HB TRP 6 0.525 -4.005 1.977
58 2HB TRP 6 1HB TRP 6 0.882 -2.501 1.126
59 HD1 TRP 6 HD1 TRP 6 -2.037 -4.552 2.428
60 HE1 TRP 6 HE1 TRP 6 -4.109 -3.019 2.546
61 HE3 TRP 6 HE3 TRP 6 -0.137 -0.429 0.223
62 HZ2 TRP 6 HZ2 TRP 6 -4.850 -0.339 1.798
63 HZ3 TRP 6 HZ3 TRP 6 -1.515 1.625 -0.078
64 HH2 TRP 6 HH2 TRP 6 -3.871 1.669 0.708
65 H GLN 7 H GLN 7 1.160 -4.240 -2.485
66 HA GLN 7 HA GLN 7 3.552 -5.766 -1.703
67 1HB GLN 7 2HB GLN 7 2.518 -6.426 -3.725
68 2HB GLN 7 1HB GLN 7 2.298 -4.760 -4.257
69 1HG GLN 7 2HG GLN 7 4.557 -4.512 -4.841
70 2HG GLN 7 1HG GLN 7 5.067 -5.854 -3.815
71 1HE2 GLN 7 1HE2 GLN 7 5.622 -7.661 -5.028
72 2HE2 GLN 7 2HE2 GLN 7 4.900 -8.116 -6.496
73 H TRP 8 H TRP 8 5.175 -4.552 -0.755
74 HA TRP 8 HA TRP 8 5.650 -1.821 -0.851
75 1HB TRP 8 2HB TRP 8 7.333 -4.273 -0.552
76 2HB TRP 8 1HB TRP 8 8.130 -2.699 -0.617
77 HD1 TRP 8 HD1 TRP 8 6.269 -4.929 1.645
78 HE1 TRP 8 HE1 TRP 8 5.781 -3.764 3.883
79 HE3 TRP 8 HE3 TRP 8 7.468 -0.184 0.395
80 HZ2 TRP 8 HZ2 TRP 8 5.892 -1.128 5.002
81 HZ3 TRP 8 HZ3 TRP 8 7.276 1.663 2.045
82 HH2 TRP 8 HH2 TRP 8 6.485 1.194 4.348
83 H ARG 9 H ARG 9 5.604 -0.673 -2.776
84 HA ARG 9 HA ARG 9 6.744 -1.734 -5.252
85 1HB ARG 9 2HB ARG 9 5.600 0.926 -4.354
86 2HB ARG 9 1HB ARG 9 6.125 0.617 -6.009
87 1HG ARG 9 2HG ARG 9 4.579 -1.513 -5.772
88 2HG ARG 9 1HG ARG 9 3.809 -0.552 -4.510
89 1HD ARG 9 2HD ARG 9 3.301 1.228 -6.061
90 2HD ARG 9 1HD ARG 9 4.289 0.473 -7.329
91 HE ARG 9 HE ARG 9 2.665 -1.462 -7.238
92 1HH1 ARG 9 1HH2 ARG 9 1.691 1.703 -7.405
93 2HH1 ARG 9 2HH2 ARG 9 0.048 1.428 -6.932
94 1HH2 ARG 9 2HH1 ARG 9 0.588 -1.868 -6.004
95 2HH2 ARG 9 1HH1 ARG 9 -0.577 -0.594 -6.138
96 H MET 10 H MET 10 8.276 -0.021 -6.444
97 HA MET 10 HA MET 10 10.704 0.153 -4.818
98 1HB MET 10 2HB MET 10 10.329 1.383 -7.537
99 2HB MET 10 1HB MET 10 11.742 0.566 -6.880
100 1HG MET 10 2HG MET 10 11.052 -1.258 -8.022
101 2HG MET 10 1HG MET 10 9.782 -1.401 -6.806
102 1HE MET 10 1HE MET 10 8.313 -2.441 -7.717
103 2HE MET 10 3HE MET 10 6.940 -1.344 -7.928
104 3HE MET 10 2HE MET 10 7.532 -2.293 -9.289
105 H LYS 11 H LYS 11 11.836 2.154 -4.403
106 HA LYS 11 HA LYS 11 10.441 4.714 -4.861
107 1HB LYS 11 2HB LYS 11 9.443 3.532 -2.823
108 2HB LYS 11 1HB LYS 11 11.010 3.760 -2.045
109 1HG LYS 11 2HG LYS 11 9.920 6.186 -3.324
110 2HG LYS 11 1HG LYS 11 8.970 5.586 -1.963
111 1HD LYS 11 2HD LYS 11 10.701 5.888 -0.441
112 2HD LYS 11 1HD LYS 11 11.950 5.757 -1.680
113 1HE LYS 11 2HE LYS 11 11.943 8.071 -1.208
114 2HE LYS 11 1HE LYS 11 10.859 7.975 -2.610
115 1HZ LYS 11 2HZ LYS 11 9.971 7.792 0.220
116 2HZ LYS 11 1HZ LYS 11 9.874 9.202 -0.722
117 3HZ LYS 11 3HZ LYS 11 8.974 7.832 -1.156
118 H LYS 12 H LYS 12 11.801 6.510 -3.665
119 HA LYS 12 HA LYS 12 14.557 6.247 -4.528
120 1HB LYS 12 2HB LYS 12 13.469 8.336 -2.643
121 2HB LYS 12 1HB LYS 12 14.690 8.524 -3.899
122 1HG LYS 12 2HG LYS 12 12.426 7.603 -5.262
123 2HG LYS 12 1HG LYS 12 11.798 8.775 -4.102
124 1HD LYS 12 2HD LYS 12 14.065 9.263 -6.058
125 2HD LYS 12 1HD LYS 12 12.424 9.892 -6.206
126 1HE LYS 12 2HE LYS 12 13.446 10.527 -3.581
127 2HE LYS 12 1HE LYS 12 14.580 11.096 -4.822
128 1HZ LYS 12 1HZ LYS 12 12.596 11.955 -6.045
129 2HZ LYS 12 3HZ LYS 12 11.664 11.624 -4.669
130 3HZ LYS 12 2HZ LYS 12 12.922 12.763 -4.587
131 H LEU 13 H LEU 13 16.044 7.408 -2.540
132 HA LEU 13 HA LEU 13 16.860 5.295 -0.893
133 1HB LEU 13 2HB LEU 13 18.138 7.016 0.249
134 2HB LEU 13 1HB LEU 13 18.056 7.435 -1.463
135 HG LEU 13 HG LEU 13 15.766 8.501 -0.038
136 1HD1 LEU 13 3HD1 LEU 13 17.892 8.408 1.646
137 2HD1 LEU 13 2HD1 LEU 13 18.228 9.925 0.812
138 3HD1 LEU 13 1HD1 LEU 13 16.701 9.707 1.667
139 1HD2 LEU 13 3HD2 LEU 13 17.366 9.114 -2.226
140 2HD2 LEU 13 2HD2 LEU 13 16.096 10.144 -1.565
141 3HD2 LEU 13 1HD2 LEU 13 17.771 10.377 -1.064
142 H GLY 14 H GLY 14 16.571 4.966 1.429
143 1HA GLY 14 2HA GLY 14 15.425 5.641 3.522
144 2HA GLY 14 1HA GLY 14 14.076 6.187 2.528
145 H ALA 15 H ALA 15 13.078 4.407 1.148
146 HA ALA 15 HA ALA 15 13.393 1.636 1.894
147 1HB ALA 15 2HB ALA 15 11.927 3.387 3.657
148 2HB ALA 15 1HB ALA 15 10.838 2.166 2.999
149 3HB ALA 15 3HB ALA 15 12.293 1.674 3.864
150 HA PRO 16 HA PRO 16 10.584 0.966 -1.414
151 1HB PRO 16 2HB PRO 16 8.897 -1.014 -0.500
152 2HB PRO 16 1HB PRO 16 10.597 -1.297 -0.940
153 1HG PRO 16 2HG PRO 16 9.361 -0.961 1.744
154 2HG PRO 16 1HG PRO 16 10.668 -2.036 1.229
155 1HD PRO 16 2HD PRO 16 11.067 0.295 2.594
156 2HD PRO 16 1HD PRO 16 12.270 -0.434 1.508
157 H SER 17 H SER 17 8.016 0.642 -1.845
158 HA SER 17 HA SER 17 6.504 2.507 -0.051
159 1HB SER 17 2HB SER 17 6.745 2.510 -3.075
160 2HB SER 17 1HB SER 17 5.589 3.494 -2.183
161 HG SER 17 HG SER 17 7.731 4.035 -0.973
162 H ILE 18 H ILE 18 5.205 0.811 0.812
163 HA ILE 18 HA ILE 18 3.978 -1.213 -0.886
164 HB ILE 18 HB ILE 18 4.611 -0.946 1.759
165 1HG1 ILE 18 2HG1 ILE 18 2.465 -2.780 0.666
166 2HG1 ILE 18 1HG1 ILE 18 4.192 -3.027 0.446
167 1HG2 ILE 18 1HG2 ILE 18 1.623 -0.544 1.517
168 2HG2 ILE 18 3HG2 ILE 18 2.430 -1.078 2.992
169 3HG2 ILE 18 2HG2 ILE 18 2.777 0.517 2.325
170 1HD1 ILE 18 1HD1 ILE 18 4.005 -2.619 3.163
171 2HD1 ILE 18 3HD1 ILE 18 2.523 -3.506 2.815
172 3HD1 ILE 18 2HD1 ILE 18 4.086 -4.199 2.384
173 H THR 19 H THR 19 2.323 -0.765 -2.235
174 HA THR 19 HA THR 19 0.367 1.371 -1.452
175 HB THR 19 HB THR 19 1.139 0.275 -4.178
176 HG1 THR 19 HG1 THR 19 2.840 1.430 -3.453
177 1HG2 THR 19 2HG2 THR 19 -0.796 2.344 -3.210
178 2HG2 THR 19 1HG2 THR 19 0.029 2.610 -4.746
179 3HG2 THR 19 3HG2 THR 19 -0.970 1.174 -4.519
180 H CYS 20 H CYS 20 -1.860 0.880 -2.598
181 HA CYS 20 HA CYS 20 -2.746 -1.747 -1.663
182 1HB CYS 20 2HB CYS 20 -4.073 0.304 -1.394
183 2HB CYS 20 1HB CYS 20 -4.116 0.524 -3.144
184 H VAL 21 H VAL 21 -2.656 -3.567 -2.940
185 HA VAL 21 HA VAL 21 -2.606 -3.181 -5.901
186 HB VAL 21 HB VAL 21 -1.168 -5.045 -6.006
187 1HG1 VAL 21 2HG1 VAL 21 -0.695 -3.771 -3.297
188 2HG1 VAL 21 1HG1 VAL 21 0.458 -4.823 -4.113
189 3HG1 VAL 21 3HG1 VAL 21 0.014 -3.277 -4.835
190 1HG2 VAL 21 3HG2 VAL 21 -2.444 -5.841 -3.386
191 2HG2 VAL 21 2HG2 VAL 21 -2.429 -6.729 -4.910
192 3HG2 VAL 21 1HG2 VAL 21 -0.953 -6.594 -3.954
193 H ARG 22 H ARG 22 -4.932 -3.348 -4.076
194 HA ARG 22 HA ARG 22 -6.531 -5.212 -5.675
195 1HB ARG 22 2HB ARG 22 -5.286 -6.000 -3.204
196 2HB ARG 22 1HB ARG 22 -7.037 -5.985 -2.985
197 1HG ARG 22 2HG ARG 22 -5.590 -7.374 -5.259
198 2HG ARG 22 1HG ARG 22 -6.222 -8.179 -3.822
199 1HD ARG 22 2HD ARG 22 -8.455 -7.835 -4.449
200 2HD ARG 22 1HD ARG 22 -8.047 -6.462 -5.498
201 HE ARG 22 HE ARG 22 -7.043 -8.069 -7.086
202 1HH1 ARG 22 1HH2 ARG 22 -6.423 -10.428 -5.567
203 2HH1 ARG 22 2HH2 ARG 22 -7.773 -11.480 -5.832
204 1HH2 ARG 22 2HH1 ARG 22 -9.861 -8.954 -6.964
205 2HH2 ARG 22 1HH1 ARG 22 -9.719 -10.647 -6.623
206 H ARG 23 H ARG 23 -8.658 -4.473 -5.716
207 HA ARG 23 HA ARG 23 -9.332 -2.238 -3.859
208 1HB ARG 23 2HB ARG 23 -10.469 -3.122 -6.534
209 2HB ARG 23 1HB ARG 23 -10.930 -1.666 -5.660
210 1HG ARG 23 2HG ARG 23 -8.496 -0.967 -5.737
211 2HG ARG 23 1HG ARG 23 -8.226 -2.311 -6.846
212 1HD ARG 23 2HD ARG 23 -9.677 -1.368 -8.502
213 2HD ARG 23 1HD ARG 23 -10.329 -0.183 -7.352
214 HE ARG 23 HE ARG 23 -7.480 -0.173 -8.282
215 1HH1 ARG 23 2HH1 ARG 23 -8.354 1.377 -5.789
216 2HH1 ARG 23 1HH1 ARG 23 -8.588 2.960 -6.454
217 1HH2 ARG 23 1HH2 ARG 23 -8.644 1.859 -9.742
218 2HH2 ARG 23 2HH2 ARG 23 -8.753 3.232 -8.692
219 H ALA 24 H ALA 24 -9.578 -4.650 -2.620
220 HA ALA 24 HA ALA 24 -12.080 -6.021 -3.008
221 1HB ALA 24 2HB ALA 24 -9.876 -5.856 -1.016
222 2HB ALA 24 1HB ALA 24 -11.407 -6.504 -0.427
223 3HB ALA 24 3HB ALA 24 -10.588 -7.275 -1.786
224 H PHE 25 HN PHE 25 -13.732 -4.366 -3.100
225 HA PHE 25 HA PHE 25 -14.239 -2.212 -1.470
226 1HB PHE 25 2HB PHE 25 -16.249 -4.334 -2.284
227 2HB PHE 25 1HB PHE 25 -16.587 -2.630 -1.985
228 HD1 PHE 25 HD2 PHE 25 -14.270 -1.325 -3.281
229 HD2 PHE 25 HD1 PHE 25 -16.687 -4.627 -4.587
230 HE1 PHE 25 HE2 PHE 25 -13.716 -0.797 -5.640
231 HE2 PHE 25 HE1 PHE 25 -16.133 -4.100 -6.946
232 HZ PHE 25 HZ PHE 25 -14.648 -2.185 -7.473
No H/Q in entry = 232
Start of MODEL 12
1 1H PHE 1 1H PHE 1 -8.227 3.542 1.919
2 2H PHE 1 3H PHE 1 -7.378 3.644 0.454
3 3H PHE 1 2H PHE 1 -8.633 4.741 0.786
4 HA PHE 1 HA PHE 1 -10.293 3.193 0.409
5 1HB PHE 1 2HB PHE 1 -9.022 3.829 -1.607
6 2HB PHE 1 1HB PHE 1 -7.912 2.484 -1.337
7 HD1 PHE 1 HD1 PHE 1 -11.629 3.038 -1.465
8 HD2 PHE 1 HD2 PHE 1 -8.299 0.576 -2.604
9 HE1 PHE 1 HE1 PHE 1 -13.167 1.523 -2.685
10 HE2 PHE 1 HE2 PHE 1 -9.837 -0.939 -3.824
11 HZ PHE 1 HZ PHE 1 -12.271 -0.466 -3.866
12 H LYS 2 H LYS 2 -11.011 0.950 0.397
13 HA LYS 2 HA LYS 2 -9.755 -0.719 2.387
14 1HB LYS 2 2HB LYS 2 -12.056 -0.805 0.492
15 2HB LYS 2 1HB LYS 2 -11.506 -2.348 1.145
16 1HG LYS 2 2HG LYS 2 -11.713 -1.459 3.436
17 2HG LYS 2 1HG LYS 2 -12.262 0.087 2.787
18 1HD LYS 2 2HD LYS 2 -14.183 -1.080 1.713
19 2HD LYS 2 1HD LYS 2 -13.655 -2.586 2.462
20 1HE LYS 2 2HE LYS 2 -13.728 -1.119 4.684
21 2HE LYS 2 1HE LYS 2 -14.899 -0.178 3.738
22 1HZ LYS 2 3HZ LYS 2 -15.972 -2.327 3.151
23 2HZ LYS 2 2HZ LYS 2 -14.959 -3.100 4.274
24 3HZ LYS 2 1HZ LYS 2 -16.084 -1.938 4.798
25 H CYS 3 H CYS 3 -7.818 -1.727 1.962
26 HA CYS 3 HA CYS 3 -7.516 -3.109 -0.686
27 1HB CYS 3 2HB CYS 3 -6.136 -0.920 0.171
28 2HB CYS 3 1HB CYS 3 -5.094 -2.216 0.748
29 H ARG 4 H ARG 4 -5.078 -4.328 -0.046
30 HA ARG 4 HA ARG 4 -5.136 -5.730 2.482
31 1HB ARG 4 2HB ARG 4 -7.118 -6.762 1.698
32 2HB ARG 4 1HB ARG 4 -6.491 -6.905 0.056
33 1HG ARG 4 2HG ARG 4 -4.943 -8.284 2.190
34 2HG ARG 4 1HG ARG 4 -6.514 -8.977 1.782
35 1HD ARG 4 2HD ARG 4 -5.513 -8.502 -0.718
36 2HD ARG 4 1HD ARG 4 -4.028 -8.891 0.174
37 HE ARG 4 HE ARG 4 -5.875 -10.789 1.039
38 1HH1 ARG 4 1HH2 ARG 4 -3.350 -11.077 -0.806
39 2HH1 ARG 4 2HH2 ARG 4 -4.036 -12.024 -2.083
40 1HH2 ARG 4 2HH1 ARG 4 -7.314 -11.438 -1.115
41 2HH2 ARG 4 1HH1 ARG 4 -6.280 -12.230 -2.258
42 H ARG 5 H ARG 5 -4.506 -6.755 -0.883
43 HA ARG 5 HA ARG 5 -1.884 -7.832 -0.118
44 1HB ARG 5 2HB ARG 5 -3.520 -8.866 -1.731
45 2HB ARG 5 1HB ARG 5 -3.186 -7.534 -2.838
46 1HG ARG 5 2HG ARG 5 -0.656 -8.447 -2.084
47 2HG ARG 5 1HG ARG 5 -1.603 -9.918 -2.299
48 1HD ARG 5 2HD ARG 5 -2.378 -8.962 -4.533
49 2HD ARG 5 1HD ARG 5 -1.132 -7.715 -4.327
50 HE ARG 5 HE ARG 5 -0.007 -10.315 -3.828
51 1HH1 ARG 5 1HH2 ARG 5 -1.781 -9.967 -6.500
52 2HH1 ARG 5 2HH2 ARG 5 -0.482 -9.872 -7.642
53 1HH2 ARG 5 2HH1 ARG 5 1.965 -9.443 -5.222
54 2HH2 ARG 5 1HH1 ARG 5 1.638 -9.575 -6.918
55 H TRP 6 H TRP 6 -1.682 -5.168 0.430
56 HA TRP 6 HA TRP 6 -1.018 -3.288 -1.483
57 1HB TRP 6 2HB TRP 6 0.268 -3.999 1.166
58 2HB TRP 6 1HB TRP 6 0.604 -2.506 0.290
59 HD1 TRP 6 HD1 TRP 6 -2.332 -4.367 1.919
60 HE1 TRP 6 HE1 TRP 6 -4.134 -2.632 2.526
61 HE3 TRP 6 HE3 TRP 6 -0.222 -0.234 -0.086
62 HZ2 TRP 6 HZ2 TRP 6 -4.606 0.186 2.208
63 HZ3 TRP 6 HZ3 TRP 6 -1.340 1.983 0.066
64 HH2 TRP 6 HH2 TRP 6 -3.532 2.194 1.213
65 H GLN 7 H GLN 7 1.421 -2.585 -1.913
66 HA GLN 7 HA GLN 7 3.231 -4.903 -2.308
67 1HB GLN 7 2HB GLN 7 1.938 -5.019 -4.301
68 2HB GLN 7 1HB GLN 7 1.908 -3.264 -4.475
69 1HG GLN 7 2HG GLN 7 4.322 -3.246 -4.921
70 2HG GLN 7 1HG GLN 7 4.388 -4.994 -4.699
71 1HE2 GLN 7 2HE2 GLN 7 3.250 -5.703 -7.961
72 2HE2 GLN 7 1HE2 GLN 7 3.813 -6.314 -6.480
73 H TRP 8 H TRP 8 4.762 -3.806 -0.957
74 HA TRP 8 HA TRP 8 5.516 -1.147 -0.867
75 1HB TRP 8 2HB TRP 8 6.948 -3.768 -0.658
76 2HB TRP 8 1HB TRP 8 7.896 -2.282 -0.592
77 HD1 TRP 8 HD1 TRP 8 5.819 -4.483 1.472
78 HE1 TRP 8 HE1 TRP 8 5.338 -3.416 3.759
79 HE3 TRP 8 HE3 TRP 8 7.354 0.257 0.554
80 HZ2 TRP 8 HZ2 TRP 8 5.585 -0.873 5.046
81 HZ3 TRP 8 HZ3 TRP 8 7.236 2.001 2.313
82 HH2 TRP 8 HH2 TRP 8 6.347 1.440 4.560
83 H ARG 9 H ARG 9 5.827 0.163 -2.672
84 HA ARG 9 HA ARG 9 6.883 -0.885 -5.188
85 1HB ARG 9 2HB ARG 9 5.953 1.742 -4.061
86 2HB ARG 9 1HB ARG 9 6.809 1.719 -5.602
87 1HG ARG 9 2HG ARG 9 4.958 -0.367 -5.807
88 2HG ARG 9 1HG ARG 9 4.070 0.932 -5.010
89 1HD ARG 9 2HD ARG 9 3.756 1.620 -7.194
90 2HD ARG 9 1HD ARG 9 5.348 2.361 -6.938
91 HE ARG 9 HE ARG 9 6.206 0.006 -7.749
92 1HH1 ARG 9 2HH1 ARG 9 3.117 -0.331 -8.420
93 2HH1 ARG 9 1HH1 ARG 9 3.202 -0.183 -10.144
94 1HH2 ARG 9 1HH2 ARG 9 6.440 1.058 -10.143
95 2HH2 ARG 9 2HH2 ARG 9 5.083 0.603 -11.120
96 H MET 10 H MET 10 8.667 0.883 -6.131
97 HA MET 10 HA MET 10 11.003 0.561 -4.316
98 1HB MET 10 2HB MET 10 10.947 1.418 -7.215
99 2HB MET 10 1HB MET 10 12.261 0.649 -6.335
100 1HG MET 10 2HG MET 10 10.924 -1.411 -6.113
101 2HG MET 10 1HG MET 10 9.601 -0.644 -6.991
102 1HE MET 10 3HE MET 10 10.928 -3.187 -7.256
103 2HE MET 10 2HE MET 10 11.223 -3.497 -8.965
104 3HE MET 10 1HE MET 10 12.582 -3.197 -7.884
105 H LYS 11 H LYS 11 12.559 2.423 -4.240
106 HA LYS 11 HA LYS 11 11.789 5.071 -5.104
107 1HB LYS 11 2HB LYS 11 10.422 4.017 -2.890
108 2HB LYS 11 1HB LYS 11 11.595 5.151 -2.222
109 1HG LYS 11 2HG LYS 11 10.786 6.772 -4.070
110 2HG LYS 11 1HG LYS 11 9.403 5.688 -4.220
111 1HD LYS 11 2HD LYS 11 9.117 5.931 -1.691
112 2HD LYS 11 1HD LYS 11 10.271 7.261 -1.789
113 1HE LYS 11 2HE LYS 11 8.449 7.778 -3.857
114 2HE LYS 11 1HE LYS 11 7.447 7.250 -2.490
115 1HZ LYS 11 3HZ LYS 11 9.087 8.727 -1.145
116 2HZ LYS 11 2HZ LYS 11 9.348 9.490 -2.640
117 3HZ LYS 11 1HZ LYS 11 7.790 9.449 -1.965
118 H LYS 12 H LYS 12 12.839 6.420 -2.818
119 HA LYS 12 HA LYS 12 15.564 6.659 -3.408
120 1HB LYS 12 2HB LYS 12 14.292 7.041 -0.689
121 2HB LYS 12 1HB LYS 12 15.667 7.918 -1.359
122 1HG LYS 12 2HG LYS 12 13.978 8.538 -3.277
123 2HG LYS 12 1HG LYS 12 12.758 8.143 -2.068
124 1HD LYS 12 2HD LYS 12 14.569 9.700 -0.654
125 2HD LYS 12 1HD LYS 12 14.514 10.477 -2.236
126 1HE LYS 12 2HE LYS 12 11.861 9.678 -1.221
127 2HE LYS 12 1HE LYS 12 12.669 10.921 -0.247
128 1HZ LYS 12 2HZ LYS 12 12.463 10.992 -3.209
129 2HZ LYS 12 1HZ LYS 12 11.428 11.843 -2.166
130 3HZ LYS 12 3HZ LYS 12 13.083 12.211 -2.202
131 H LEU 13 H LEU 13 16.940 6.448 -1.026
132 HA LEU 13 HA LEU 13 18.305 4.096 -1.042
133 1HB LEU 13 2HB LEU 13 18.551 4.525 1.492
134 2HB LEU 13 1HB LEU 13 18.992 5.835 0.398
135 HG LEU 13 HG LEU 13 16.163 5.941 1.008
136 1HD1 LEU 13 1HD1 LEU 13 17.694 4.987 3.153
137 2HD1 LEU 13 3HD1 LEU 13 17.513 6.713 3.465
138 3HD1 LEU 13 2HD1 LEU 13 16.085 5.701 3.249
139 1HD2 LEU 13 1HD2 LEU 13 18.139 7.676 0.314
140 2HD2 LEU 13 3HD2 LEU 13 16.612 8.185 1.036
141 3HD2 LEU 13 2HD2 LEU 13 18.043 7.986 2.047
142 H GLY 14 H GLY 14 16.909 2.292 -1.533
143 1HA GLY 14 2HA GLY 14 15.439 0.526 -1.028
144 2HA GLY 14 1HA GLY 14 16.310 0.542 0.500
145 H ALA 15 H ALA 15 14.227 3.163 -0.639
146 HA ALA 15 HA ALA 15 12.491 2.657 1.747
147 1HB ALA 15 1HB ALA 15 13.605 4.986 0.352
148 2HB ALA 15 3HB ALA 15 11.889 5.156 0.725
149 3HB ALA 15 2HB ALA 15 13.046 4.840 2.019
150 HA PRO 16 HA PRO 16 9.957 1.368 -1.868
151 1HB PRO 16 2HB PRO 16 8.617 -0.588 -0.457
152 2HB PRO 16 1HB PRO 16 10.190 -0.849 -1.245
153 1HG PRO 16 2HG PRO 16 9.593 -0.234 1.617
154 2HG PRO 16 1HG PRO 16 10.724 -1.415 0.932
155 1HD PRO 16 2HD PRO 16 11.559 0.971 1.876
156 2HD PRO 16 1HD PRO 16 12.330 0.183 0.478
157 H SER 17 H SER 17 7.431 1.090 -1.825
158 HA SER 17 HA SER 17 6.145 2.753 0.291
159 1HB SER 17 2HB SER 17 6.351 3.299 -2.670
160 2HB SER 17 1HB SER 17 5.008 3.944 -1.730
161 HG SER 17 HG SER 17 6.918 5.319 -1.898
162 H ILE 18 H ILE 18 4.925 0.916 0.956
163 HA ILE 18 HA ILE 18 3.660 -0.956 -0.770
164 HB ILE 18 HB ILE 18 4.024 -0.490 1.957
165 1HG1 ILE 18 2HG1 ILE 18 2.292 -2.614 0.662
166 2HG1 ILE 18 1HG1 ILE 18 4.053 -2.658 0.735
167 1HG2 ILE 18 2HG2 ILE 18 1.063 -0.508 1.318
168 2HG2 ILE 18 1HG2 ILE 18 1.742 -0.820 2.916
169 3HG2 ILE 18 3HG2 ILE 18 1.952 0.761 2.161
170 1HD1 ILE 18 2HD1 ILE 18 3.524 -2.232 3.342
171 2HD1 ILE 18 1HD1 ILE 18 2.052 -3.092 2.893
172 3HD1 ILE 18 3HD1 ILE 18 3.626 -3.850 2.648
173 H THR 19 H THR 19 2.191 -0.412 -2.319
174 HA THR 19 HA THR 19 0.271 1.818 -1.780
175 HB THR 19 HB THR 19 1.119 0.422 -4.341
176 HG1 THR 19 HG1 THR 19 1.740 3.067 -3.721
177 1HG2 THR 19 3HG2 THR 19 -0.683 2.768 -3.749
178 2HG2 THR 19 2HG2 THR 19 0.095 2.573 -5.320
179 3HG2 THR 19 1HG2 THR 19 -1.025 1.345 -4.732
180 H CYS 20 H CYS 20 -1.941 1.383 -2.938
181 HA CYS 20 HA CYS 20 -3.023 -1.103 -1.842
182 1HB CYS 20 2HB CYS 20 -4.188 1.086 -1.783
183 2HB CYS 20 1HB CYS 20 -4.245 1.097 -3.544
184 H VAL 21 H VAL 21 -3.119 -2.995 -2.965
185 HA VAL 21 HA VAL 21 -3.351 -2.901 -5.930
186 HB VAL 21 HB VAL 21 -1.096 -3.368 -5.886
187 1HG1 VAL 21 2HG1 VAL 21 -1.631 -4.121 -3.039
188 2HG1 VAL 21 1HG1 VAL 21 -0.139 -4.679 -3.794
189 3HG1 VAL 21 3HG1 VAL 21 -0.483 -2.953 -3.693
190 1HG2 VAL 21 3HG2 VAL 21 -2.242 -5.545 -6.534
191 2HG2 VAL 21 2HG2 VAL 21 -0.582 -5.702 -5.959
192 3HG2 VAL 21 1HG2 VAL 21 -1.927 -6.099 -4.890
193 H ARG 22 H ARG 22 -5.281 -3.371 -3.852
194 HA ARG 22 HA ARG 22 -6.397 -5.901 -4.835
195 1HB ARG 22 2HB ARG 22 -4.831 -5.729 -2.414
196 2HB ARG 22 1HB ARG 22 -6.490 -6.182 -2.018
197 1HG ARG 22 2HG ARG 22 -4.775 -7.539 -4.120
198 2HG ARG 22 1HG ARG 22 -5.077 -8.170 -2.502
199 1HD ARG 22 2HD ARG 22 -7.589 -7.988 -3.086
200 2HD ARG 22 1HD ARG 22 -7.048 -7.823 -4.769
201 HE ARG 22 HE ARG 22 -6.770 -10.237 -3.101
202 1HH1 ARG 22 2HH1 ARG 22 -5.403 -8.400 -5.663
203 2HH1 ARG 22 1HH1 ARG 22 -4.961 -9.785 -6.605
204 1HH2 ARG 22 1HH2 ARG 22 -6.373 -12.063 -4.405
205 2HH2 ARG 22 2HH2 ARG 22 -5.510 -11.858 -5.894
206 H ARG 23 H ARG 23 -8.237 -4.650 -5.441
207 HA ARG 23 HA ARG 23 -9.556 -2.865 -3.537
208 1HB ARG 23 2HB ARG 23 -10.396 -4.023 -6.216
209 2HB ARG 23 1HB ARG 23 -11.160 -2.656 -5.408
210 1HG ARG 23 2HG ARG 23 -9.219 -1.295 -5.646
211 2HG ARG 23 1HG ARG 23 -8.215 -2.678 -6.087
212 1HD ARG 23 2HD ARG 23 -10.402 -2.590 -7.929
213 2HD ARG 23 1HD ARG 23 -9.695 -0.963 -7.839
214 HE ARG 23 HE ARG 23 -8.357 -3.335 -8.874
215 1HH1 ARG 23 2HH1 ARG 23 -6.144 -3.154 -7.446
216 2HH1 ARG 23 1HH1 ARG 23 -5.311 -1.692 -7.855
217 1HH2 ARG 23 1HH2 ARG 23 -8.079 -0.214 -9.329
218 2HH2 ARG 23 2HH2 ARG 23 -6.406 -0.027 -8.921
219 H ALA 24 H ALA 24 -10.090 -4.289 -1.754
220 HA ALA 24 HA ALA 24 -11.977 -6.523 -2.349
221 1HB ALA 24 2HB ALA 24 -9.847 -6.688 -0.909
222 2HB ALA 24 1HB ALA 24 -10.729 -5.751 0.296
223 3HB ALA 24 3HB ALA 24 -11.328 -7.334 -0.201
224 H PHE 25 HN PHE 25 -14.041 -5.630 -2.516
225 HA PHE 25 HA PHE 25 -15.150 -3.356 -1.455
226 1HB PHE 25 2HB PHE 25 -16.441 -6.101 -1.500
227 2HB PHE 25 1HB PHE 25 -17.273 -4.551 -1.617
228 HD1 PHE 25 HD2 PHE 25 -15.830 -2.958 -3.467
229 HD2 PHE 25 HD1 PHE 25 -16.445 -7.208 -3.550
230 HE1 PHE 25 HE2 PHE 25 -15.493 -2.958 -5.924
231 HE2 PHE 25 HE1 PHE 25 -16.107 -7.209 -6.007
232 HZ PHE 25 HZ PHE 25 -15.631 -5.084 -7.193
No H/Q in entry = 232
Start of MODEL 13
1 1H PHE 1 1H PHE 1 -12.892 0.743 0.707
2 2H PHE 1 3H PHE 1 -13.590 1.235 -0.758
3 3H PHE 1 2H PHE 1 -13.652 -0.398 -0.296
4 HA PHE 1 HA PHE 1 -11.951 -0.311 -1.901
5 1HB PHE 1 2HB PHE 1 -11.899 2.149 -1.913
6 2HB PHE 1 1HB PHE 1 -11.096 2.151 -0.342
7 HD1 PHE 1 HD1 PHE 1 -10.493 -0.179 -3.186
8 HD2 PHE 1 HD2 PHE 1 -8.980 3.103 -0.864
9 HE1 PHE 1 HE1 PHE 1 -8.293 -0.399 -4.308
10 HE2 PHE 1 HE2 PHE 1 -6.780 2.883 -1.988
11 HZ PHE 1 HZ PHE 1 -6.436 1.132 -3.709
12 H LYS 2 H LYS 2 -12.216 -1.941 0.311
13 HA LYS 2 HA LYS 2 -9.895 -1.827 2.073
14 1HB LYS 2 2HB LYS 2 -12.195 -3.661 1.489
15 2HB LYS 2 1HB LYS 2 -10.841 -4.287 2.430
16 1HG LYS 2 2HG LYS 2 -12.490 -1.825 3.075
17 2HG LYS 2 1HG LYS 2 -12.513 -3.359 3.948
18 1HD LYS 2 2HD LYS 2 -9.874 -2.855 4.065
19 2HD LYS 2 1HD LYS 2 -10.467 -1.195 3.972
20 1HE LYS 2 2HE LYS 2 -10.421 -1.691 6.309
21 2HE LYS 2 1HE LYS 2 -12.123 -1.897 5.849
22 1HZ LYS 2 2HZ LYS 2 -10.211 -4.136 5.636
23 2HZ LYS 2 1HZ LYS 2 -10.989 -3.804 7.109
24 3HZ LYS 2 3HZ LYS 2 -11.905 -4.192 5.736
25 H CYS 3 H CYS 3 -7.963 -1.972 0.878
26 HA CYS 3 HA CYS 3 -7.455 -3.568 -1.406
27 1HB CYS 3 2HB CYS 3 -6.106 -1.756 0.060
28 2HB CYS 3 1HB CYS 3 -5.325 -3.224 0.644
29 H ARG 4 H ARG 4 -5.241 -5.134 -0.648
30 HA ARG 4 HA ARG 4 -6.270 -7.174 1.250
31 1HB ARG 4 2HB ARG 4 -7.319 -7.903 -0.736
32 2HB ARG 4 1HB ARG 4 -5.927 -7.471 -1.728
33 1HG ARG 4 2HG ARG 4 -5.224 -9.404 0.338
34 2HG ARG 4 1HG ARG 4 -6.493 -10.008 -0.729
35 1HD ARG 4 2HD ARG 4 -4.499 -8.660 -2.318
36 2HD ARG 4 1HD ARG 4 -3.719 -9.882 -1.295
37 HE ARG 4 HE ARG 4 -6.146 -10.547 -2.917
38 1HH1 ARG 4 1HH2 ARG 4 -5.725 -12.928 -1.776
39 2HH1 ARG 4 2HH2 ARG 4 -4.370 -13.683 -2.549
40 1HH2 ARG 4 2HH1 ARG 4 -3.186 -10.737 -3.942
41 2HH2 ARG 4 1HH1 ARG 4 -2.934 -12.442 -3.776
42 H ARG 5 H ARG 5 -3.641 -6.062 -0.874
43 HA ARG 5 HA ARG 5 -1.696 -7.151 1.080
44 1HB ARG 5 2HB ARG 5 -2.276 -8.952 -0.557
45 2HB ARG 5 1HB ARG 5 -1.684 -7.911 -1.852
46 1HG ARG 5 2HG ARG 5 0.279 -8.031 0.254
47 2HG ARG 5 1HG ARG 5 -0.164 -9.668 -0.232
48 1HD ARG 5 2HD ARG 5 0.121 -7.963 -2.568
49 2HD ARG 5 1HD ARG 5 1.605 -7.960 -1.593
50 HE ARG 5 HE ARG 5 0.678 -10.634 -1.691
51 1HH1 ARG 5 1HH1 ARG 5 1.914 -9.526 -5.241
52 2HH1 ARG 5 2HH1 ARG 5 0.724 -8.631 -4.355
53 1HH2 ARG 5 1HH2 ARG 5 2.710 -11.609 -2.586
54 2HH2 ARG 5 2HH2 ARG 5 3.038 -11.212 -4.239
55 H TRP 6 H TRP 6 -1.039 -4.944 1.413
56 HA TRP 6 HA TRP 6 -0.309 -3.157 -0.702
57 1HB TRP 6 2HB TRP 6 0.414 -3.385 2.233
58 2HB TRP 6 1HB TRP 6 0.778 -1.975 1.238
59 HD1 TRP 6 HD1 TRP 6 -2.166 -3.942 2.621
60 HE1 TRP 6 HE1 TRP 6 -4.257 -2.435 2.517
61 HE3 TRP 6 HE3 TRP 6 -0.221 -0.008 0.131
62 HZ2 TRP 6 HZ2 TRP 6 -4.996 0.156 1.501
63 HZ3 TRP 6 HZ3 TRP 6 -1.606 1.991 -0.410
64 HH2 TRP 6 HH2 TRP 6 -3.993 2.072 0.273
65 H GLN 7 H GLN 7 1.233 -4.014 -2.150
66 HA GLN 7 HA GLN 7 3.600 -5.447 -1.129
67 1HB GLN 7 2HB GLN 7 2.648 -6.332 -3.105
68 2HB GLN 7 1HB GLN 7 2.428 -4.734 -3.817
69 1HG GLN 7 2HG GLN 7 4.316 -5.879 -4.887
70 2HG GLN 7 1HG GLN 7 4.892 -4.484 -3.975
71 1HE2 GLN 7 2HE2 GLN 7 5.550 -8.186 -2.287
72 2HE2 GLN 7 1HE2 GLN 7 4.112 -7.920 -3.149
73 H TRP 8 H TRP 8 5.173 -4.116 -0.258
74 HA TRP 8 HA TRP 8 5.618 -1.404 -0.618
75 1HB TRP 8 2HB TRP 8 7.333 -3.783 -0.032
76 2HB TRP 8 1HB TRP 8 8.097 -2.202 -0.216
77 HD1 TRP 8 HD1 TRP 8 6.195 -4.260 2.173
78 HE1 TRP 8 HE1 TRP 8 5.605 -2.909 4.277
79 HE3 TRP 8 HE3 TRP 8 7.362 0.377 0.544
80 HZ2 TRP 8 HZ2 TRP 8 5.631 -0.182 5.157
81 HZ3 TRP 8 HZ3 TRP 8 7.078 2.359 2.012
82 HH2 TRP 8 HH2 TRP 8 6.211 2.083 4.319
83 H ARG 9 H ARG 9 5.631 -0.443 -2.640
84 HA ARG 9 HA ARG 9 6.844 -1.731 -4.969
85 1HB ARG 9 2HB ARG 9 5.644 0.982 -4.358
86 2HB ARG 9 1HB ARG 9 6.243 0.548 -5.957
87 1HG ARG 9 2HG ARG 9 4.707 -1.607 -5.504
88 2HG ARG 9 1HG ARG 9 3.839 -0.442 -4.504
89 1HD ARG 9 2HD ARG 9 2.826 0.256 -6.415
90 2HD ARG 9 1HD ARG 9 4.392 0.945 -6.884
91 HE ARG 9 HE ARG 9 4.122 -1.939 -7.388
92 1HH1 ARG 9 1HH2 ARG 9 5.999 -0.289 -8.953
93 2HH1 ARG 9 2HH2 ARG 9 5.152 -0.043 -10.444
94 1HH2 ARG 9 2HH1 ARG 9 2.066 -0.949 -9.149
95 2HH2 ARG 9 1HH1 ARG 9 2.926 -0.417 -10.555
96 H MET 10 H MET 10 8.391 -0.122 -6.283
97 HA MET 10 HA MET 10 10.751 0.280 -4.577
98 1HB MET 10 2HB MET 10 10.547 1.058 -7.470
99 2HB MET 10 1HB MET 10 11.901 0.337 -6.611
100 1HG MET 10 2HG MET 10 11.243 -1.624 -7.525
101 2HG MET 10 1HG MET 10 9.925 -1.584 -6.354
102 1HE MET 10 3HE MET 10 11.386 -0.635 -9.455
103 2HE MET 10 2HE MET 10 10.334 -1.537 -10.543
104 3HE MET 10 1HE MET 10 10.164 0.212 -10.415
105 H LYS 11 H LYS 11 11.833 2.331 -4.394
106 HA LYS 11 HA LYS 11 10.564 4.783 -5.400
107 1HB LYS 11 2HB LYS 11 9.478 3.659 -3.165
108 2HB LYS 11 1HB LYS 11 10.697 4.713 -2.447
109 1HG LYS 11 2HG LYS 11 8.714 6.038 -2.645
110 2HG LYS 11 1HG LYS 11 9.786 6.569 -3.940
111 1HD LYS 11 2HD LYS 11 8.499 5.592 -5.596
112 2HD LYS 11 1HD LYS 11 7.876 4.341 -4.519
113 1HE LYS 11 2HE LYS 11 6.754 6.428 -3.297
114 2HE LYS 11 1HE LYS 11 6.912 7.150 -4.910
115 1HZ LYS 11 3HZ LYS 11 5.843 4.419 -4.485
116 2HZ LYS 11 2HZ LYS 11 4.838 5.789 -4.516
117 3HZ LYS 11 1HZ LYS 11 5.751 5.369 -5.887
118 H LYS 12 H LYS 12 11.604 6.424 -3.328
119 HA LYS 12 HA LYS 12 14.245 6.983 -4.173
120 1HB LYS 12 2HB LYS 12 12.996 7.489 -1.465
121 2HB LYS 12 1HB LYS 12 14.248 8.453 -2.250
122 1HG LYS 12 2HG LYS 12 12.679 9.663 -3.310
123 2HG LYS 12 1HG LYS 12 12.033 8.199 -4.052
124 1HD LYS 12 2HD LYS 12 10.171 8.741 -2.840
125 2HD LYS 12 1HD LYS 12 11.044 7.926 -1.543
126 1HE LYS 12 2HE LYS 12 10.393 10.028 -0.609
127 2HE LYS 12 1HE LYS 12 12.095 10.255 -1.060
128 1HZ LYS 12 2HZ LYS 12 10.964 10.821 -3.363
129 2HZ LYS 12 1HZ LYS 12 9.680 11.281 -2.350
130 3HZ LYS 12 3HZ LYS 12 11.203 12.008 -2.172
131 H LEU 13 H LEU 13 15.315 7.145 -1.398
132 HA LEU 13 HA LEU 13 17.214 5.178 -1.293
133 1HB LEU 13 2HB LEU 13 15.962 7.047 0.488
134 2HB LEU 13 1HB LEU 13 16.275 5.553 1.371
135 HG LEU 13 HG LEU 13 18.525 6.167 -0.315
136 1HD1 LEU 13 3HD1 LEU 13 17.260 8.494 0.484
137 2HD1 LEU 13 2HD1 LEU 13 18.455 8.245 1.757
138 3HD1 LEU 13 1HD1 LEU 13 18.969 8.356 0.073
139 1HD2 LEU 13 3HD2 LEU 13 17.891 5.279 2.352
140 2HD2 LEU 13 2HD2 LEU 13 19.400 5.086 1.459
141 3HD2 LEU 13 1HD2 LEU 13 19.130 6.530 2.434
142 H GLY 14 H GLY 14 17.306 3.328 0.423
143 1HA GLY 14 2HA GLY 14 15.927 1.099 -0.260
144 2HA GLY 14 1HA GLY 14 16.380 1.380 1.419
145 H ALA 15 H ALA 15 14.594 3.725 1.668
146 HA ALA 15 HA ALA 15 12.277 2.539 2.736
147 1HB ALA 15 3HB ALA 15 12.891 5.258 1.562
148 2HB ALA 15 2HB ALA 15 11.345 4.911 2.336
149 3HB ALA 15 1HB ALA 15 12.840 4.794 3.263
150 HA PRO 16 HA PRO 16 10.509 1.420 -1.266
151 1HB PRO 16 2HB PRO 16 8.826 -0.501 -0.242
152 2HB PRO 16 1HB PRO 16 10.546 -0.785 -0.598
153 1HG PRO 16 2HG PRO 16 9.193 -0.345 1.997
154 2HG PRO 16 1HG PRO 16 10.620 -1.316 1.615
155 1HD PRO 16 2HD PRO 16 10.640 1.200 2.798
156 2HD PRO 16 1HD PRO 16 12.027 0.408 2.023
157 H SER 17 H SER 17 7.966 1.005 -1.750
158 HA SER 17 HA SER 17 6.358 2.994 -0.186
159 1HB SER 17 2HB SER 17 6.693 2.724 -3.190
160 2HB SER 17 1HB SER 17 5.508 3.775 -2.420
161 HG SER 17 HG SER 17 8.242 3.892 -1.735
162 H ILE 18 H ILE 18 5.065 1.352 0.783
163 HA ILE 18 HA ILE 18 3.930 -0.842 -0.759
164 HB ILE 18 HB ILE 18 4.467 -0.320 1.869
165 1HG1 ILE 18 2HG1 ILE 18 2.384 -2.285 0.883
166 2HG1 ILE 18 1HG1 ILE 18 4.121 -2.522 0.745
167 1HG2 ILE 18 1HG2 ILE 18 1.483 0.002 1.499
168 2HG2 ILE 18 3HG2 ILE 18 2.254 -0.370 3.041
169 3HG2 ILE 18 2HG2 ILE 18 2.595 1.159 2.231
170 1HD1 ILE 18 1HD1 ILE 18 3.802 -1.849 3.411
171 2HD1 ILE 18 3HD1 ILE 18 2.383 -2.842 3.079
172 3HD1 ILE 18 2HD1 ILE 18 3.998 -3.487 2.787
173 H THR 19 H THR 19 2.310 -0.553 -2.194
174 HA THR 19 HA THR 19 0.291 1.602 -1.668
175 HB THR 19 HB THR 19 1.135 0.303 -4.280
176 HG1 THR 19 HG1 THR 19 2.854 1.464 -3.800
177 1HG2 THR 19 1HG2 THR 19 -0.763 2.478 -3.497
178 2HG2 THR 19 3HG2 THR 19 0.111 2.636 -5.021
179 3HG2 THR 19 2HG2 THR 19 -0.930 1.240 -4.743
180 H CYS 20 H CYS 20 -1.870 0.963 -2.900
181 HA CYS 20 HA CYS 20 -2.762 -1.580 -1.760
182 1HB CYS 20 2HB CYS 20 -4.139 0.456 -1.767
183 2HB CYS 20 1HB CYS 20 -4.082 0.505 -3.530
184 H VAL 21 H VAL 21 -2.612 -3.518 -2.845
185 HA VAL 21 HA VAL 21 -2.368 -3.421 -5.820
186 HB VAL 21 HB VAL 21 -0.921 -5.276 -5.649
187 1HG1 VAL 21 2HG1 VAL 21 -0.612 -3.708 -3.075
188 2HG1 VAL 21 1HG1 VAL 21 0.590 -4.836 -3.698
189 3HG1 VAL 21 3HG1 VAL 21 0.186 -3.384 -4.615
190 1HG2 VAL 21 1HG2 VAL 21 -2.203 -5.785 -2.950
191 2HG2 VAL 21 3HG2 VAL 21 -2.365 -6.770 -4.403
192 3HG2 VAL 21 2HG2 VAL 21 -0.816 -6.684 -3.564
193 H ARG 22 H ARG 22 -4.801 -3.446 -4.129
194 HA ARG 22 HA ARG 22 -6.289 -5.468 -5.642
195 1HB ARG 22 2HB ARG 22 -5.164 -6.628 -3.667
196 2HB ARG 22 1HB ARG 22 -6.204 -5.660 -2.621
197 1HG ARG 22 2HG ARG 22 -7.786 -7.245 -2.884
198 2HG ARG 22 1HG ARG 22 -7.931 -6.714 -4.559
199 1HD ARG 22 2HD ARG 22 -5.731 -8.630 -3.822
200 2HD ARG 22 1HD ARG 22 -7.378 -9.240 -4.074
201 HE ARG 22 HE ARG 22 -5.631 -8.203 -6.151
202 1HH1 ARG 22 1HH2 ARG 22 -7.165 -6.467 -7.307
203 2HH1 ARG 22 2HH2 ARG 22 -8.606 -7.223 -7.899
204 1HH2 ARG 22 2HH1 ARG 22 -8.237 -10.063 -5.943
205 2HH2 ARG 22 1HH1 ARG 22 -9.213 -9.259 -7.127
206 H ARG 23 H ARG 23 -8.416 -4.764 -5.872
207 HA ARG 23 HA ARG 23 -9.215 -2.385 -4.258
208 1HB ARG 23 2HB ARG 23 -10.179 -3.492 -6.917
209 2HB ARG 23 1HB ARG 23 -10.686 -1.968 -6.199
210 1HG ARG 23 2HG ARG 23 -8.252 -1.271 -6.188
211 2HG ARG 23 1HG ARG 23 -7.915 -2.709 -7.152
212 1HD ARG 23 2HD ARG 23 -8.486 -1.544 -9.009
213 2HD ARG 23 1HD ARG 23 -10.134 -1.387 -8.367
214 HE ARG 23 HE ARG 23 -8.271 0.464 -7.110
215 1HH1 ARG 23 1HH2 ARG 23 -9.276 0.061 -10.294
216 2HH1 ARG 23 2HH2 ARG 23 -9.975 1.638 -10.455
217 1HH2 ARG 23 2HH1 ARG 23 -9.621 2.427 -7.097
218 2HH2 ARG 23 1HH1 ARG 23 -10.171 2.977 -8.644
219 H ALA 24 H ALA 24 -9.538 -4.683 -2.840
220 HA ALA 24 HA ALA 24 -12.174 -5.892 -3.313
221 1HB ALA 24 2HB ALA 24 -10.002 -6.926 -2.341
222 2HB ALA 24 1HB ALA 24 -10.451 -6.114 -0.843
223 3HB ALA 24 3HB ALA 24 -11.521 -7.329 -1.543
224 H PHE 25 HN PHE 25 -13.600 -4.039 -3.102
225 HA PHE 25 HA PHE 25 -13.739 -2.055 -1.210
226 1HB PHE 25 2HB PHE 25 -15.708 -3.764 -2.653
227 2HB PHE 25 1HB PHE 25 -16.339 -2.744 -1.360
228 HD1 PHE 25 HD2 PHE 25 -14.285 -2.675 -4.475
229 HD2 PHE 25 HD1 PHE 25 -16.630 -0.417 -1.673
230 HE1 PHE 25 HE2 PHE 25 -14.174 -0.701 -5.972
231 HE2 PHE 25 HE1 PHE 25 -16.519 1.557 -3.170
232 HZ PHE 25 HZ PHE 25 -15.291 1.415 -5.320
No H/Q in entry = 232
Start of MODEL 14
1 1H PHE 1 1H PHE 1 -9.943 2.340 1.984
2 2H PHE 1 3H PHE 1 -9.896 3.777 1.085
3 3H PHE 1 2H PHE 1 -11.216 2.721 0.924
4 HA PHE 1 HA PHE 1 -10.058 2.120 -0.941
5 1HB PHE 1 2HB PHE 1 -8.309 3.863 0.002
6 2HB PHE 1 1HB PHE 1 -7.429 2.413 0.483
7 HD1 PHE 1 HD1 PHE 1 -8.625 0.735 -1.900
8 HD2 PHE 1 HD2 PHE 1 -6.598 4.513 -1.640
9 HE1 PHE 1 HE1 PHE 1 -7.809 0.457 -4.225
10 HE2 PHE 1 HE2 PHE 1 -5.782 4.235 -3.966
11 HZ PHE 1 HZ PHE 1 -6.387 2.207 -5.259
12 H LYS 2 H LYS 2 -11.164 0.270 0.654
13 HA LYS 2 HA LYS 2 -9.712 -1.621 2.071
14 1HB LYS 2 2HB LYS 2 -11.913 -1.928 0.009
15 2HB LYS 2 1HB LYS 2 -11.401 -3.241 1.071
16 1HG LYS 2 2HG LYS 2 -11.982 -0.648 2.395
17 2HG LYS 2 1HG LYS 2 -13.371 -1.507 1.728
18 1HD LYS 2 2HD LYS 2 -12.717 -3.538 2.968
19 2HD LYS 2 1HD LYS 2 -11.328 -2.680 3.638
20 1HE LYS 2 2HE LYS 2 -14.018 -1.414 3.983
21 2HE LYS 2 1HE LYS 2 -13.624 -2.819 4.994
22 1HZ LYS 2 1HZ LYS 2 -11.442 -1.711 5.435
23 2HZ LYS 2 3HZ LYS 2 -12.060 -0.314 4.697
24 3HZ LYS 2 2HZ LYS 2 -12.784 -0.917 6.110
25 H CYS 3 H CYS 3 -8.093 -3.068 1.572
26 HA CYS 3 HA CYS 3 -7.496 -3.569 -1.328
27 1HB CYS 3 2HB CYS 3 -6.043 -1.968 0.283
28 2HB CYS 3 1HB CYS 3 -5.299 -3.515 0.676
29 H ARG 4 H ARG 4 -5.330 -5.288 -0.796
30 HA ARG 4 HA ARG 4 -6.392 -7.464 0.925
31 1HB ARG 4 2HB ARG 4 -7.522 -7.929 -1.107
32 2HB ARG 4 1HB ARG 4 -6.117 -7.497 -2.078
33 1HG ARG 4 2HG ARG 4 -5.464 -9.624 -0.216
34 2HG ARG 4 1HG ARG 4 -6.834 -10.074 -1.233
35 1HD ARG 4 2HD ARG 4 -5.206 -8.940 -3.101
36 2HD ARG 4 1HD ARG 4 -4.003 -9.625 -1.990
37 HE ARG 4 HE ARG 4 -6.046 -11.167 -3.484
38 1HH1 ARG 4 1HH2 ARG 4 -4.437 -11.228 -0.513
39 2HH1 ARG 4 2HH2 ARG 4 -3.807 -12.831 -0.700
40 1HH2 ARG 4 2HH1 ARG 4 -4.870 -13.151 -3.985
41 2HH2 ARG 4 1HH1 ARG 4 -4.051 -13.919 -2.666
42 H ARG 5 H ARG 5 -3.796 -6.283 -1.198
43 HA ARG 5 HA ARG 5 -1.822 -7.589 0.589
44 1HB ARG 5 2HB ARG 5 -2.414 -9.294 -1.061
45 2HB ARG 5 1HB ARG 5 -2.106 -8.158 -2.375
46 1HG ARG 5 2HG ARG 5 0.232 -8.071 -0.862
47 2HG ARG 5 1HG ARG 5 -0.215 -9.778 -0.853
48 1HD ARG 5 2HD ARG 5 0.194 -10.022 -3.092
49 2HD ARG 5 1HD ARG 5 -0.472 -8.423 -3.482
50 HE ARG 5 HE ARG 5 1.666 -7.453 -3.025
51 1HH1 ARG 5 1HH2 ARG 5 1.651 -9.993 -0.913
52 2HH1 ARG 5 2HH2 ARG 5 3.272 -10.521 -1.221
53 1HH2 ARG 5 2HH1 ARG 5 3.699 -8.470 -3.984
54 2HH2 ARG 5 1HH1 ARG 5 4.431 -9.659 -2.959
55 H TRP 6 H TRP 6 -1.154 -5.383 1.045
56 HA TRP 6 HA TRP 6 -0.450 -3.460 -0.929
57 1HB TRP 6 2HB TRP 6 0.437 -3.980 1.920
58 2HB TRP 6 1HB TRP 6 0.796 -2.494 1.037
59 HD1 TRP 6 HD1 TRP 6 -2.133 -4.483 2.427
60 HE1 TRP 6 HE1 TRP 6 -4.172 -2.908 2.572
61 HE3 TRP 6 HE3 TRP 6 -0.197 -0.412 0.147
62 HZ2 TRP 6 HZ2 TRP 6 -4.876 -0.222 1.815
63 HZ3 TRP 6 HZ3 TRP 6 -1.544 1.664 -0.145
64 HH2 TRP 6 HH2 TRP 6 -3.882 1.759 0.688
65 H GLN 7 H GLN 7 1.104 -3.885 -2.494
66 HA GLN 7 HA GLN 7 3.413 -5.622 -1.849
67 1HB GLN 7 2HB GLN 7 3.690 -5.619 -4.258
68 2HB GLN 7 1HB GLN 7 1.977 -5.830 -3.910
69 1HG GLN 7 2HG GLN 7 1.853 -3.239 -4.085
70 2HG GLN 7 1HG GLN 7 3.406 -3.374 -4.910
71 1HE2 GLN 7 2HE2 GLN 7 0.828 -3.597 -7.564
72 2HE2 GLN 7 1HE2 GLN 7 1.390 -2.410 -6.488
73 H TRP 8 H TRP 8 5.232 -4.617 -1.047
74 HA TRP 8 HA TRP 8 5.708 -1.837 -0.945
75 1HB TRP 8 2HB TRP 8 7.321 -4.346 -0.727
76 2HB TRP 8 1HB TRP 8 8.159 -2.792 -0.728
77 HD1 TRP 8 HD1 TRP 8 6.267 -5.063 1.451
78 HE1 TRP 8 HE1 TRP 8 5.775 -3.965 3.721
79 HE3 TRP 8 HE3 TRP 8 7.500 -0.294 0.352
80 HZ2 TRP 8 HZ2 TRP 8 5.899 -1.365 4.922
81 HZ3 TRP 8 HZ3 TRP 8 7.313 1.504 2.055
82 HH2 TRP 8 HH2 TRP 8 6.511 0.971 4.341
83 H ARG 9 H ARG 9 5.664 -0.651 -2.859
84 HA ARG 9 HA ARG 9 6.820 -1.666 -5.345
85 1HB ARG 9 2HB ARG 9 5.627 0.939 -4.375
86 2HB ARG 9 1HB ARG 9 6.259 0.759 -6.010
87 1HG ARG 9 2HG ARG 9 4.687 -1.500 -5.704
88 2HG ARG 9 1HG ARG 9 3.764 -0.256 -4.862
89 1HD ARG 9 2HD ARG 9 3.278 0.857 -6.797
90 2HD ARG 9 1HD ARG 9 4.906 0.602 -7.458
91 HE ARG 9 HE ARG 9 2.873 -1.597 -7.358
92 1HH1 ARG 9 1HH2 ARG 9 5.990 -1.283 -8.229
93 2HH1 ARG 9 2HH2 ARG 9 5.789 -1.618 -9.918
94 1HH2 ARG 9 2HH1 ARG 9 2.331 -1.385 -9.823
95 2HH2 ARG 9 1HH1 ARG 9 3.718 -1.676 -10.820
96 H MET 10 H MET 10 8.341 0.135 -6.478
97 HA MET 10 HA MET 10 10.775 0.218 -4.848
98 1HB MET 10 2HB MET 10 10.412 1.543 -7.522
99 2HB MET 10 1HB MET 10 11.817 0.693 -6.893
100 1HG MET 10 2HG MET 10 10.169 -1.380 -6.889
101 2HG MET 10 1HG MET 10 9.321 -0.429 -8.108
102 1HE MET 10 2HE MET 10 12.309 -1.782 -6.721
103 2HE MET 10 1HE MET 10 12.901 -2.837 -8.001
104 3HE MET 10 3HE MET 10 13.616 -1.237 -7.769
105 H LYS 11 H LYS 11 11.916 2.196 -4.360
106 HA LYS 11 HA LYS 11 10.550 4.781 -4.743
107 1HB LYS 11 2HB LYS 11 9.584 3.451 -2.723
108 2HB LYS 11 1HB LYS 11 11.112 3.842 -1.931
109 1HG LYS 11 2HG LYS 11 10.099 6.214 -3.188
110 2HG LYS 11 1HG LYS 11 8.819 5.505 -2.203
111 1HD LYS 11 2HD LYS 11 11.076 5.251 -0.603
112 2HD LYS 11 1HD LYS 11 11.286 6.829 -1.363
113 1HE LYS 11 2HE LYS 11 9.041 7.514 -0.622
114 2HE LYS 11 1HE LYS 11 8.786 5.917 0.110
115 1HZ LYS 11 3HZ LYS 11 10.932 6.325 1.334
116 2HZ LYS 11 2HZ LYS 11 10.825 7.946 0.833
117 3HZ LYS 11 1HZ LYS 11 9.619 7.278 1.828
118 H LYS 12 H LYS 12 11.914 6.534 -3.522
119 HA LYS 12 HA LYS 12 14.678 6.260 -4.339
120 1HB LYS 12 2HB LYS 12 13.574 8.310 -2.417
121 2HB LYS 12 1HB LYS 12 14.827 8.518 -3.638
122 1HG LYS 12 2HG LYS 12 13.239 9.271 -5.044
123 2HG LYS 12 1HG LYS 12 12.554 7.645 -5.050
124 1HD LYS 12 2HD LYS 12 10.722 8.849 -4.300
125 2HD LYS 12 1HD LYS 12 11.484 8.460 -2.757
126 1HE LYS 12 2HE LYS 12 11.018 10.818 -2.681
127 2HE LYS 12 1HE LYS 12 12.757 10.690 -3.013
128 1HZ LYS 12 2HZ LYS 12 10.792 10.711 -5.216
129 2HZ LYS 12 1HZ LYS 12 11.348 12.169 -4.546
130 3HZ LYS 12 3HZ LYS 12 12.446 11.093 -5.263
131 H LEU 13 H LEU 13 16.141 7.361 -2.297
132 HA LEU 13 HA LEU 13 16.932 5.201 -0.703
133 1HB LEU 13 2HB LEU 13 18.177 6.895 0.525
134 2HB LEU 13 1HB LEU 13 18.143 7.347 -1.180
135 HG LEU 13 HG LEU 13 15.823 8.378 0.251
136 1HD1 LEU 13 1HD1 LEU 13 18.587 9.228 1.173
137 2HD1 LEU 13 3HD1 LEU 13 17.090 10.076 1.558
138 3HD1 LEU 13 2HD1 LEU 13 17.356 8.441 2.162
139 1HD2 LEU 13 3HD2 LEU 13 17.863 9.207 -1.716
140 2HD2 LEU 13 2HD2 LEU 13 16.140 9.578 -1.659
141 3HD2 LEU 13 1HD2 LEU 13 17.276 10.512 -0.685
142 H GLY 14 H GLY 14 16.605 4.793 1.599
143 1HA GLY 14 2HA GLY 14 15.433 5.401 3.697
144 2HA GLY 14 1HA GLY 14 14.097 5.979 2.703
145 H ALA 15 H ALA 15 13.108 4.253 1.261
146 HA ALA 15 HA ALA 15 13.417 1.455 1.908
147 1HB ALA 15 2HB ALA 15 11.914 3.153 3.709
148 2HB ALA 15 1HB ALA 15 10.867 1.909 3.026
149 3HB ALA 15 3HB ALA 15 12.335 1.449 3.888
150 HA PRO 16 HA PRO 16 10.611 0.908 -1.428
151 1HB PRO 16 2HB PRO 16 8.917 -1.100 -0.587
152 2HB PRO 16 1HB PRO 16 10.617 -1.370 -1.036
153 1HG PRO 16 2HG PRO 16 9.379 -1.134 1.656
154 2HG PRO 16 1HG PRO 16 10.689 -2.186 1.104
155 1HD PRO 16 2HD PRO 16 11.078 0.097 2.555
156 2HD PRO 16 1HD PRO 16 12.287 -0.596 1.452
157 H SER 17 H SER 17 8.037 0.598 -1.866
158 HA SER 17 HA SER 17 6.530 2.409 -0.013
159 1HB SER 17 2HB SER 17 7.027 2.577 -2.977
160 2HB SER 17 1HB SER 17 5.563 3.275 -2.293
161 HG SER 17 HG SER 17 8.168 3.802 -1.305
162 H ILE 18 H ILE 18 5.229 0.683 0.791
163 HA ILE 18 HA ILE 18 4.002 -1.280 -0.974
164 HB ILE 18 HB ILE 18 4.627 -1.130 1.665
165 1HG1 ILE 18 2HG1 ILE 18 2.366 -2.831 0.598
166 2HG1 ILE 18 1HG1 ILE 18 4.061 -3.135 0.248
167 1HG2 ILE 18 3HG2 ILE 18 1.650 -0.628 1.488
168 2HG2 ILE 18 2HG2 ILE 18 2.489 -1.173 2.940
169 3HG2 ILE 18 1HG2 ILE 18 2.850 0.412 2.256
170 1HD1 ILE 18 2HD1 ILE 18 4.014 -2.807 3.010
171 2HD1 ILE 18 1HD1 ILE 18 2.541 -3.717 2.670
172 3HD1 ILE 18 3HD1 ILE 18 4.106 -4.346 2.154
173 H THR 19 H THR 19 2.350 -0.795 -2.313
174 HA THR 19 HA THR 19 0.423 1.356 -1.506
175 HB THR 19 HB THR 19 1.088 0.235 -4.249
176 HG1 THR 19 HG1 THR 19 1.890 2.751 -3.317
177 1HG2 THR 19 1HG2 THR 19 -0.607 2.494 -3.222
178 2HG2 THR 19 3HG2 THR 19 0.115 2.590 -4.828
179 3HG2 THR 19 2HG2 THR 19 -0.998 1.278 -4.438
180 H CYS 20 H CYS 20 -1.816 0.894 -2.665
181 HA CYS 20 HA CYS 20 -2.753 -1.700 -1.687
182 1HB CYS 20 2HB CYS 20 -4.039 0.384 -1.457
183 2HB CYS 20 1HB CYS 20 -4.077 0.569 -3.210
184 H VAL 21 H VAL 21 -2.760 -3.546 -2.932
185 HA VAL 21 HA VAL 21 -2.639 -3.213 -5.898
186 HB VAL 21 HB VAL 21 -1.293 -5.151 -5.944
187 1HG1 VAL 21 1HG1 VAL 21 -0.785 -3.840 -3.257
188 2HG1 VAL 21 3HG1 VAL 21 0.337 -4.939 -4.059
189 3HG1 VAL 21 2HG1 VAL 21 -0.060 -3.389 -4.801
190 1HG2 VAL 21 2HG2 VAL 21 -2.506 -5.812 -3.244
191 2HG2 VAL 21 1HG2 VAL 21 -2.767 -6.667 -4.765
192 3HG2 VAL 21 3HG2 VAL 21 -1.191 -6.731 -3.976
193 H ARG 22 H ARG 22 -5.004 -3.260 -4.103
194 HA ARG 22 HA ARG 22 -6.650 -5.080 -5.709
195 1HB ARG 22 2HB ARG 22 -5.549 -6.496 -3.941
196 2HB ARG 22 1HB ARG 22 -6.366 -5.518 -2.721
197 1HG ARG 22 2HG ARG 22 -8.013 -7.079 -2.918
198 2HG ARG 22 1HG ARG 22 -8.460 -6.154 -4.352
199 1HD ARG 22 2HD ARG 22 -7.167 -7.639 -5.786
200 2HD ARG 22 1HD ARG 22 -6.538 -8.510 -4.372
201 HE ARG 22 HE ARG 22 -8.788 -9.354 -3.947
202 1HH1 ARG 22 2HH1 ARG 22 -10.390 -7.117 -5.092
203 2HH1 ARG 22 1HH1 ARG 22 -10.989 -7.803 -6.565
204 1HH2 ARG 22 1HH2 ARG 22 -8.699 -10.407 -6.591
205 2HH2 ARG 22 2HH2 ARG 22 -10.032 -9.667 -7.414
206 H ARG 23 H ARG 23 -8.763 -4.287 -5.769
207 HA ARG 23 HA ARG 23 -9.384 -2.026 -3.920
208 1HB ARG 23 2HB ARG 23 -10.466 -2.797 -6.652
209 2HB ARG 23 1HB ARG 23 -10.862 -1.328 -5.770
210 1HG ARG 23 2HG ARG 23 -8.381 -0.794 -5.751
211 2HG ARG 23 1HG ARG 23 -8.171 -2.128 -6.885
212 1HD ARG 23 2HD ARG 23 -10.316 -0.211 -7.607
213 2HD ARG 23 1HD ARG 23 -8.663 0.431 -7.683
214 HE ARG 23 HE ARG 23 -9.585 -2.016 -9.137
215 1HH1 ARG 23 1HH2 ARG 23 -6.819 -0.365 -8.187
216 2HH1 ARG 23 2HH2 ARG 23 -6.132 -0.246 -9.772
217 1HH2 ARG 23 2HH1 ARG 23 -8.958 -1.461 -11.374
218 2HH2 ARG 23 1HH1 ARG 23 -7.344 -0.866 -11.577
219 H ALA 24 H ALA 24 -9.802 -4.444 -2.743
220 HA ALA 24 HA ALA 24 -12.484 -5.496 -3.279
221 1HB ALA 24 3HB ALA 24 -10.430 -5.919 -1.084
222 2HB ALA 24 2HB ALA 24 -11.905 -6.871 -1.255
223 3HB ALA 24 1HB ALA 24 -10.667 -6.929 -2.510
224 H PHE 25 HN PHE 25 -13.526 -3.275 -2.968
225 HA PHE 25 HA PHE 25 -13.620 -1.682 -0.735
226 1HB PHE 25 2HB PHE 25 -15.883 -1.179 -1.414
227 2HB PHE 25 1HB PHE 25 -14.982 -1.587 -2.875
228 HD1 PHE 25 HD1 PHE 25 -17.485 -2.779 -0.431
229 HD2 PHE 25 HD2 PHE 25 -15.412 -3.638 -4.094
230 HE1 PHE 25 HE1 PHE 25 -19.081 -4.618 -0.904
231 HE2 PHE 25 HE2 PHE 25 -17.007 -5.476 -4.567
232 HZ PHE 25 HZ PHE 25 -18.842 -5.967 -2.972
No H/Q in entry = 232
Start of MODEL 15
1 1H PHE 1 1H PHE 1 -10.917 2.152 2.532
2 2H PHE 1 3H PHE 1 -9.483 3.055 2.460
3 3H PHE 1 2H PHE 1 -10.704 3.307 1.305
4 HA PHE 1 HA PHE 1 -10.262 1.332 0.189
5 1HB PHE 1 2HB PHE 1 -8.138 3.113 1.027
6 2HB PHE 1 1HB PHE 1 -7.490 1.501 0.715
7 HD1 PHE 1 HD2 PHE 1 -9.426 4.308 -0.751
8 HD2 PHE 1 HD1 PHE 1 -7.418 0.587 -1.502
9 HE1 PHE 1 HE2 PHE 1 -9.592 4.711 -3.192
10 HE2 PHE 1 HE1 PHE 1 -7.583 0.989 -3.943
11 HZ PHE 1 HZ PHE 1 -8.671 3.052 -4.788
12 H LYS 2 H LYS 2 -10.896 -0.653 1.058
13 HA LYS 2 HA LYS 2 -9.348 -1.789 3.333
14 1HB LYS 2 2HB LYS 2 -11.979 -2.312 1.966
15 2HB LYS 2 1HB LYS 2 -11.269 -3.547 3.006
16 1HG LYS 2 2HG LYS 2 -12.520 -2.369 4.563
17 2HG LYS 2 1HG LYS 2 -10.986 -1.506 4.676
18 1HD LYS 2 2HD LYS 2 -11.830 0.141 3.001
19 2HD LYS 2 1HD LYS 2 -13.387 -0.687 3.015
20 1HE LYS 2 2HE LYS 2 -13.695 1.062 4.582
21 2HE LYS 2 1HE LYS 2 -13.269 -0.318 5.614
22 1HZ LYS 2 1HZ LYS 2 -11.071 1.211 4.455
23 2HZ LYS 2 3HZ LYS 2 -11.938 1.960 5.706
24 3HZ LYS 2 2HZ LYS 2 -11.187 0.460 5.975
25 H CYS 3 H CYS 3 -7.590 -1.835 1.379
26 HA CYS 3 HA CYS 3 -7.706 -3.767 -0.684
27 1HB CYS 3 2HB CYS 3 -5.931 -1.956 0.184
28 2HB CYS 3 1HB CYS 3 -5.180 -3.395 0.861
29 H ARG 4 H ARG 4 -5.636 -5.541 -0.233
30 HA ARG 4 HA ARG 4 -6.403 -7.163 2.141
31 1HB ARG 4 2HB ARG 4 -6.814 -9.089 0.692
32 2HB ARG 4 1HB ARG 4 -7.833 -7.741 0.188
33 1HG ARG 4 2HG ARG 4 -6.982 -8.320 -1.870
34 2HG ARG 4 1HG ARG 4 -5.710 -7.217 -1.349
35 1HD ARG 4 2HD ARG 4 -4.443 -9.082 -1.974
36 2HD ARG 4 1HD ARG 4 -4.708 -9.431 -0.254
37 HE ARG 4 HE ARG 4 -5.772 -10.993 -2.391
38 1HH1 ARG 4 2HH1 ARG 4 -8.395 -10.253 -2.014
39 2HH1 ARG 4 1HH1 ARG 4 -8.929 -11.011 -0.550
40 1HH2 ARG 4 1HH2 ARG 4 -5.721 -11.633 0.610
41 2HH2 ARG 4 2HH2 ARG 4 -7.415 -11.792 0.935
42 H ARG 5 H ARG 5 -4.156 -6.606 -0.548
43 HA ARG 5 HA ARG 5 -1.976 -7.757 1.122
44 1HB ARG 5 2HB ARG 5 -2.847 -9.574 -0.280
45 2HB ARG 5 1HB ARG 5 -2.668 -8.569 -1.718
46 1HG ARG 5 2HG ARG 5 -0.274 -8.535 -1.495
47 2HG ARG 5 1HG ARG 5 -0.355 -9.286 0.099
48 1HD ARG 5 2HD ARG 5 -1.770 -10.999 -1.681
49 2HD ARG 5 1HD ARG 5 -0.229 -10.588 -2.460
50 HE ARG 5 HE ARG 5 0.459 -11.070 0.187
51 1HH1 ARG 5 2HH1 ARG 5 -1.973 -12.846 -1.257
52 2HH1 ARG 5 1HH1 ARG 5 -1.167 -14.376 -1.160
53 1HH2 ARG 5 1HH2 ARG 5 1.853 -13.018 -0.130
54 2HH2 ARG 5 2HH2 ARG 5 0.999 -14.473 -0.523
55 H TRP 6 H TRP 6 -1.009 -5.683 1.290
56 HA TRP 6 HA TRP 6 -0.650 -3.886 -0.905
57 1HB TRP 6 2HB TRP 6 0.724 -4.250 1.771
58 2HB TRP 6 1HB TRP 6 0.907 -2.829 0.738
59 HD1 TRP 6 HD1 TRP 6 -1.841 -4.762 2.613
60 HE1 TRP 6 HE1 TRP 6 -3.761 -3.121 3.105
61 HE3 TRP 6 HE3 TRP 6 -0.075 -0.678 0.227
62 HZ2 TRP 6 HZ2 TRP 6 -4.451 -0.387 2.559
63 HZ3 TRP 6 HZ3 TRP 6 -1.357 1.459 0.210
64 HH2 TRP 6 HH2 TRP 6 -3.544 1.605 1.379
65 H GLN 7 H GLN 7 1.642 -3.256 -1.641
66 HA GLN 7 HA GLN 7 3.570 -5.520 -1.666
67 1HB GLN 7 2HB GLN 7 2.381 -6.062 -3.605
68 2HB GLN 7 1HB GLN 7 2.015 -4.379 -3.975
69 1HG GLN 7 2HG GLN 7 4.023 -4.037 -5.036
70 2HG GLN 7 1HG GLN 7 4.894 -5.136 -3.965
71 1HE2 GLN 7 2HE2 GLN 7 4.885 -7.537 -6.542
72 2HE2 GLN 7 1HE2 GLN 7 5.790 -6.650 -5.412
73 H TRP 8 H TRP 8 5.016 -4.144 -0.490
74 HA TRP 8 HA TRP 8 5.669 -1.502 -0.715
75 1HB TRP 8 2HB TRP 8 7.217 -4.020 -0.314
76 2HB TRP 8 1HB TRP 8 8.128 -2.521 -0.492
77 HD1 TRP 8 HD1 TRP 8 6.261 -4.493 1.962
78 HE1 TRP 8 HE1 TRP 8 5.888 -3.163 4.130
79 HE3 TRP 8 HE3 TRP 8 7.577 0.139 0.369
80 HZ2 TRP 8 HZ2 TRP 8 6.128 -0.472 5.073
81 HZ3 TRP 8 HZ3 TRP 8 7.508 2.082 1.907
82 HH2 TRP 8 HH2 TRP 8 6.781 1.781 4.260
83 H ARG 9 H ARG 9 5.405 -0.625 -2.848
84 HA ARG 9 HA ARG 9 6.830 -1.737 -5.144
85 1HB ARG 9 2HB ARG 9 5.068 0.595 -4.487
86 2HB ARG 9 1HB ARG 9 6.020 0.667 -5.970
87 1HG ARG 9 2HG ARG 9 5.018 -1.333 -6.821
88 2HG ARG 9 1HG ARG 9 4.281 -1.706 -5.262
89 1HD ARG 9 2HD ARG 9 2.712 -0.674 -7.013
90 2HD ARG 9 1HD ARG 9 2.759 0.164 -5.449
91 HE ARG 9 HE ARG 9 4.356 1.044 -7.827
92 1HH1 ARG 9 2HH1 ARG 9 5.572 2.842 -6.555
93 2HH1 ARG 9 1HH1 ARG 9 4.493 4.009 -5.867
94 1HH2 ARG 9 1HH2 ARG 9 1.681 2.012 -6.223
95 2HH2 ARG 9 2HH2 ARG 9 2.290 3.539 -5.679
96 H MET 10 H MET 10 8.007 0.365 -6.398
97 HA MET 10 HA MET 10 10.412 0.807 -4.779
98 1HB MET 10 2HB MET 10 9.887 2.083 -7.442
99 2HB MET 10 1HB MET 10 11.377 1.387 -6.821
100 1HG MET 10 2HG MET 10 9.678 -0.790 -6.848
101 2HG MET 10 1HG MET 10 9.194 0.093 -8.296
102 1HE MET 10 2HE MET 10 11.721 -1.149 -6.107
103 2HE MET 10 1HE MET 10 12.535 -2.344 -7.113
104 3HE MET 10 3HE MET 10 13.264 -0.753 -6.858
105 H LYS 11 H LYS 11 11.231 2.887 -4.228
106 HA LYS 11 HA LYS 11 9.459 5.251 -4.561
107 1HB LYS 11 2HB LYS 11 9.208 3.662 -2.365
108 2HB LYS 11 1HB LYS 11 10.457 4.780 -1.814
109 1HG LYS 11 2HG LYS 11 8.143 5.578 -1.300
110 2HG LYS 11 1HG LYS 11 9.041 6.692 -2.331
111 1HD LYS 11 2HD LYS 11 7.578 4.655 -3.850
112 2HD LYS 11 1HD LYS 11 6.524 5.686 -2.882
113 1HE LYS 11 2HE LYS 11 6.884 7.477 -4.233
114 2HE LYS 11 1HE LYS 11 8.636 7.192 -4.266
115 1HZ LYS 11 2HZ LYS 11 7.931 5.117 -5.642
116 2HZ LYS 11 1HZ LYS 11 6.537 6.033 -5.967
117 3HZ LYS 11 3HZ LYS 11 8.063 6.630 -6.404
118 H LYS 12 H LYS 12 10.904 6.673 -2.502
119 HA LYS 12 HA LYS 12 12.982 7.883 -3.960
120 1HB LYS 12 2HB LYS 12 12.948 7.575 -0.954
121 2HB LYS 12 1HB LYS 12 13.538 8.944 -1.894
122 1HG LYS 12 2HG LYS 12 11.503 9.886 -1.742
123 2HG LYS 12 1HG LYS 12 10.843 8.540 -2.673
124 1HD LYS 12 2HD LYS 12 9.852 7.658 -0.850
125 2HD LYS 12 1HD LYS 12 11.337 7.780 0.093
126 1HE LYS 12 2HE LYS 12 10.554 10.426 -0.109
127 2HE LYS 12 1HE LYS 12 9.009 9.570 0.066
128 1HZ LYS 12 1HZ LYS 12 10.185 8.240 1.857
129 2HZ LYS 12 3HZ LYS 12 11.382 9.441 1.831
130 3HZ LYS 12 2HZ LYS 12 9.785 9.844 2.246
131 H LEU 13 H LEU 13 15.262 7.890 -2.434
132 HA LEU 13 HA LEU 13 16.760 5.709 -3.420
133 1HB LEU 13 2HB LEU 13 18.511 6.643 -1.951
134 2HB LEU 13 1HB LEU 13 17.625 7.929 -2.771
135 HG LEU 13 HG LEU 13 16.198 7.366 -0.390
136 1HD1 LEU 13 1HD1 LEU 13 18.836 6.559 -0.026
137 2HD1 LEU 13 3HD1 LEU 13 18.816 8.202 0.612
138 3HD1 LEU 13 2HD1 LEU 13 17.705 6.993 1.255
139 1HD2 LEU 13 1HD2 LEU 13 16.595 9.540 -1.705
140 2HD2 LEU 13 3HD2 LEU 13 16.594 9.672 0.054
141 3HD2 LEU 13 2HD2 LEU 13 18.121 9.658 -0.828
142 H GLY 14 H GLY 14 16.995 3.643 -2.673
143 1HA GLY 14 2HA GLY 14 16.609 1.755 -1.314
144 2HA GLY 14 1HA GLY 14 17.379 2.757 -0.086
145 H ALA 15 H ALA 15 14.206 2.958 -1.704
146 HA ALA 15 HA ALA 15 12.854 2.465 0.885
147 1HB ALA 15 3HB ALA 15 13.228 5.086 -0.457
148 2HB ALA 15 2HB ALA 15 11.604 4.765 0.152
149 3HB ALA 15 1HB ALA 15 12.983 4.726 1.251
150 HA PRO 16 HA PRO 16 10.119 0.917 -2.295
151 1HB PRO 16 2HB PRO 16 8.766 -0.812 -0.652
152 2HB PRO 16 1HB PRO 16 10.383 -1.152 -1.300
153 1HG PRO 16 2HG PRO 16 9.579 -0.427 1.424
154 2HG PRO 16 1HG PRO 16 11.029 -1.264 0.858
155 1HD PRO 16 2HD PRO 16 10.774 1.476 1.618
156 2HD PRO 16 1HD PRO 16 12.215 0.644 0.996
157 H SER 17 H SER 17 7.510 0.441 -2.035
158 HA SER 17 HA SER 17 6.247 2.544 -0.350
159 1HB SER 17 2HB SER 17 6.996 3.116 -2.888
160 2HB SER 17 1HB SER 17 5.411 2.415 -3.203
161 HG SER 17 HG SER 17 5.992 4.508 -1.368
162 H ILE 18 H ILE 18 5.170 0.812 0.775
163 HA ILE 18 HA ILE 18 3.818 -1.353 -0.520
164 HB ILE 18 HB ILE 18 4.462 -0.528 2.055
165 1HG1 ILE 18 2HG1 ILE 18 2.600 -2.773 1.234
166 2HG1 ILE 18 1HG1 ILE 18 4.359 -2.840 1.172
167 1HG2 ILE 18 1HG2 ILE 18 1.455 -0.506 1.712
168 2HG2 ILE 18 3HG2 ILE 18 2.249 -0.749 3.267
169 3HG2 ILE 18 2HG2 ILE 18 2.466 0.767 2.395
170 1HD1 ILE 18 3HD1 ILE 18 4.083 -2.074 3.725
171 2HD1 ILE 18 2HD1 ILE 18 2.538 -2.903 3.533
172 3HD1 ILE 18 1HD1 ILE 18 4.047 -3.774 3.255
173 H THR 19 H THR 19 2.166 -1.079 -1.941
174 HA THR 19 HA THR 19 0.136 1.058 -1.370
175 HB THR 19 HB THR 19 0.962 -0.120 -4.041
176 HG1 THR 19 HG1 THR 19 1.858 2.235 -3.998
177 1HG2 THR 19 3HG2 THR 19 -0.842 2.095 -3.132
178 2HG2 THR 19 2HG2 THR 19 -0.020 2.236 -4.686
179 3HG2 THR 19 1HG2 THR 19 -1.109 0.882 -4.383
180 H CYS 20 H CYS 20 -2.024 0.442 -2.560
181 HA CYS 20 HA CYS 20 -2.849 -2.186 -1.573
182 1HB CYS 20 2HB CYS 20 -4.315 -0.266 -1.386
183 2HB CYS 20 1HB CYS 20 -4.195 0.053 -3.117
184 H VAL 21 H VAL 21 -2.647 -4.038 -2.785
185 HA VAL 21 HA VAL 21 -2.479 -3.733 -5.748
186 HB VAL 21 HB VAL 21 -0.847 -5.382 -5.739
187 1HG1 VAL 21 2HG1 VAL 21 -0.807 -4.339 -2.895
188 2HG1 VAL 21 1HG1 VAL 21 0.475 -5.330 -3.581
189 3HG1 VAL 21 3HG1 VAL 21 0.123 -3.747 -4.271
190 1HG2 VAL 21 2HG2 VAL 21 -2.555 -6.584 -3.611
191 2HG2 VAL 21 1HG2 VAL 21 -1.842 -7.334 -5.040
192 3HG2 VAL 21 3HG2 VAL 21 -0.847 -7.024 -3.618
193 H ARG 22 H ARG 22 -4.838 -3.994 -3.956
194 HA ARG 22 HA ARG 22 -6.331 -5.924 -5.580
195 1HB ARG 22 2HB ARG 22 -5.031 -6.759 -3.236
196 2HB ARG 22 1HB ARG 22 -6.722 -6.565 -2.773
197 1HG ARG 22 2HG ARG 22 -6.295 -8.838 -3.610
198 2HG ARG 22 1HG ARG 22 -7.409 -7.979 -4.672
199 1HD ARG 22 2HD ARG 22 -5.634 -7.517 -6.265
200 2HD ARG 22 1HD ARG 22 -4.415 -8.181 -5.158
201 HE ARG 22 HE ARG 22 -6.670 -9.908 -6.082
202 1HH1 ARG 22 1HH2 ARG 22 -3.924 -10.290 -4.434
203 2HH1 ARG 22 2HH2 ARG 22 -3.117 -11.341 -5.550
204 1HH2 ARG 22 2HH1 ARG 22 -5.375 -10.781 -8.121
205 2HH2 ARG 22 1HH1 ARG 22 -3.939 -11.618 -7.637
206 H ARG 23 H ARG 23 -7.604 -3.973 -6.017
207 HA ARG 23 HA ARG 23 -8.830 -2.506 -3.803
208 1HB ARG 23 2HB ARG 23 -9.224 -2.561 -6.813
209 2HB ARG 23 1HB ARG 23 -10.003 -1.398 -5.743
210 1HG ARG 23 2HG ARG 23 -7.781 -0.640 -4.957
211 2HG ARG 23 1HG ARG 23 -7.013 -1.781 -6.062
212 1HD ARG 23 2HD ARG 23 -8.704 -0.463 -7.771
213 2HD ARG 23 1HD ARG 23 -8.258 0.835 -6.645
214 HE ARG 23 HE ARG 23 -5.995 -0.819 -7.493
215 1HH1 ARG 23 1HH2 ARG 23 -5.861 2.096 -6.725
216 2HH1 ARG 23 2HH2 ARG 23 -5.594 2.852 -8.260
217 1HH2 ARG 23 2HH1 ARG 23 -6.564 0.075 -10.095
218 2HH2 ARG 23 1HH1 ARG 23 -5.993 1.708 -10.168
219 H ALA 24 H ALA 24 -9.568 -4.962 -3.164
220 HA ALA 24 HA ALA 24 -11.884 -6.055 -4.478
221 1HB ALA 24 1HB ALA 24 -10.103 -6.757 -2.486
222 2HB ALA 24 3HB ALA 24 -11.595 -6.495 -1.581
223 3HB ALA 24 2HB ALA 24 -11.558 -7.665 -2.899
224 H PHE 25 HN PHE 25 -13.404 -4.311 -4.767
225 HA PHE 25 HA PHE 25 -14.303 -2.366 -3.051
226 1HB PHE 25 2HB PHE 25 -15.525 -4.135 -5.106
227 2HB PHE 25 1HB PHE 25 -16.645 -3.213 -4.102
228 HD1 PHE 25 HD2 PHE 25 -16.007 -0.667 -3.752
229 HD2 PHE 25 HD1 PHE 25 -14.613 -3.113 -6.997
230 HE1 PHE 25 HE2 PHE 25 -15.525 1.371 -5.082
231 HE2 PHE 25 HE1 PHE 25 -14.131 -1.075 -8.326
232 HZ PHE 25 HZ PHE 25 -14.588 1.166 -7.368
No H/Q in entry = 232
Start of MODEL 16
1 1H PHE 1 2H PHE 1 -9.164 3.322 0.707
2 2H PHE 1 1H PHE 1 -10.514 4.078 0.008
3 3H PHE 1 3H PHE 1 -10.569 3.579 1.628
4 HA PHE 1 HA PHE 1 -11.790 1.961 0.425
5 1HB PHE 1 2HB PHE 1 -10.583 0.928 -1.586
6 2HB PHE 1 1HB PHE 1 -11.092 2.605 -1.777
7 HD1 PHE 1 HD1 PHE 1 -8.207 0.376 -1.153
8 HD2 PHE 1 HD2 PHE 1 -9.486 4.409 -1.892
9 HE1 PHE 1 HE1 PHE 1 -5.856 1.045 -1.568
10 HE2 PHE 1 HE2 PHE 1 -7.135 5.078 -2.308
11 HZ PHE 1 HZ PHE 1 -5.320 3.396 -2.146
12 H LYS 2 H LYS 2 -11.206 -0.487 0.258
13 HA LYS 2 HA LYS 2 -9.109 -1.080 2.313
14 1HB LYS 2 2HB LYS 2 -11.861 -1.844 1.854
15 2HB LYS 2 1HB LYS 2 -10.838 -3.281 1.899
16 1HG LYS 2 2HG LYS 2 -10.154 -2.896 4.086
17 2HG LYS 2 1HG LYS 2 -10.442 -1.160 3.979
18 1HD LYS 2 2HD LYS 2 -12.481 -1.440 4.882
19 2HD LYS 2 1HD LYS 2 -12.932 -2.487 3.535
20 1HE LYS 2 2HE LYS 2 -11.232 -3.627 5.737
21 2HE LYS 2 1HE LYS 2 -12.981 -3.453 5.992
22 1HZ LYS 2 1HZ LYS 2 -12.964 -4.394 3.522
23 2HZ LYS 2 3HZ LYS 2 -11.545 -5.131 4.087
24 3HZ LYS 2 2HZ LYS 2 -13.020 -5.411 4.881
25 H CYS 3 H CYS 3 -7.256 -1.811 1.327
26 HA CYS 3 HA CYS 3 -7.350 -3.163 -1.291
27 1HB CYS 3 2HB CYS 3 -5.628 -1.461 -0.125
28 2HB CYS 3 1HB CYS 3 -4.880 -2.981 0.359
29 H ARG 4 H ARG 4 -5.176 -4.905 -0.900
30 HA ARG 4 HA ARG 4 -5.965 -6.833 1.202
31 1HB ARG 4 2HB ARG 4 -7.495 -7.514 -0.439
32 2HB ARG 4 1HB ARG 4 -6.393 -7.128 -1.758
33 1HG ARG 4 2HG ARG 4 -5.661 -9.282 0.207
34 2HG ARG 4 1HG ARG 4 -6.784 -9.640 -1.108
35 1HD ARG 4 2HD ARG 4 -4.873 -8.371 -2.531
36 2HD ARG 4 1HD ARG 4 -3.867 -9.039 -1.230
37 HE ARG 4 HE ARG 4 -4.972 -10.602 -3.315
38 1HH1 ARG 4 1HH2 ARG 4 -6.991 -11.729 -1.750
39 2HH1 ARG 4 2HH2 ARG 4 -6.215 -12.893 -0.729
40 1HH2 ARG 4 2HH1 ARG 4 -3.041 -11.574 -1.188
41 2HH2 ARG 4 1HH1 ARG 4 -3.979 -12.805 -0.411
42 H ARG 5 H ARG 5 -3.800 -6.001 -1.491
43 HA ARG 5 HA ARG 5 -1.649 -7.541 -0.086
44 1HB ARG 5 2HB ARG 5 -2.918 -8.031 -2.625
45 2HB ARG 5 1HB ARG 5 -1.210 -7.670 -2.880
46 1HG ARG 5 2HG ARG 5 -2.023 -9.573 -0.700
47 2HG ARG 5 1HG ARG 5 -1.931 -10.138 -2.368
48 1HD ARG 5 2HD ARG 5 0.366 -9.943 -2.447
49 2HD ARG 5 1HD ARG 5 0.385 -8.545 -1.354
50 HE ARG 5 HE ARG 5 0.756 -10.127 0.354
51 1HH1 ARG 5 1HH2 ARG 5 0.155 -12.080 -2.210
52 2HH1 ARG 5 2HH2 ARG 5 -0.762 -13.277 -1.359
53 1HH2 ARG 5 2HH1 ARG 5 -1.068 -11.374 1.523
54 2HH2 ARG 5 1HH1 ARG 5 -1.455 -12.877 0.755
55 H TRP 6 H TRP 6 -1.049 -5.283 0.654
56 HA TRP 6 HA TRP 6 -0.255 -3.252 -1.194
57 1HB TRP 6 2HB TRP 6 0.503 -3.917 1.666
58 2HB TRP 6 1HB TRP 6 0.894 -2.391 0.872
59 HD1 TRP 6 HD1 TRP 6 -2.141 -4.481 1.880
60 HE1 TRP 6 HE1 TRP 6 -4.154 -2.893 2.131
61 HE3 TRP 6 HE3 TRP 6 0.004 -0.193 0.327
62 HZ2 TRP 6 HZ2 TRP 6 -4.761 -0.107 1.729
63 HZ3 TRP 6 HZ3 TRP 6 -1.279 1.944 0.259
64 HH2 TRP 6 HH2 TRP 6 -3.661 1.985 0.959
65 H GLN 7 H GLN 7 1.181 -4.127 -2.792
66 HA GLN 7 HA GLN 7 3.515 -5.717 -1.977
67 1HB GLN 7 2HB GLN 7 2.527 -6.325 -4.029
68 2HB GLN 7 1HB GLN 7 2.330 -4.649 -4.535
69 1HG GLN 7 2HG GLN 7 4.527 -4.450 -5.219
70 2HG GLN 7 1HG GLN 7 5.109 -5.628 -4.041
71 1HE2 GLN 7 2HE2 GLN 7 5.015 -7.081 -7.572
72 2HE2 GLN 7 1HE2 GLN 7 5.619 -5.606 -6.989
73 H TRP 8 H TRP 8 5.026 -4.468 -0.852
74 HA TRP 8 HA TRP 8 5.632 -1.787 -0.956
75 1HB TRP 8 2HB TRP 8 7.225 -4.288 -0.599
76 2HB TRP 8 1HB TRP 8 8.075 -2.741 -0.637
77 HD1 TRP 8 HD1 TRP 8 6.090 -4.913 1.565
78 HE1 TRP 8 HE1 TRP 8 5.556 -3.731 3.783
79 HE3 TRP 8 HE3 TRP 8 7.431 -0.194 0.347
80 HZ2 TRP 8 HZ2 TRP 8 5.687 -1.096 4.901
81 HZ3 TRP 8 HZ3 TRP 8 7.225 1.659 1.986
82 HH2 TRP 8 HH2 TRP 8 6.351 1.212 4.264
83 H ARG 9 H ARG 9 5.668 -0.653 -2.900
84 HA ARG 9 HA ARG 9 6.907 -1.740 -5.314
85 1HB ARG 9 2HB ARG 9 5.750 0.933 -4.480
86 2HB ARG 9 1HB ARG 9 6.357 0.621 -6.106
87 1HG ARG 9 2HG ARG 9 4.779 -1.498 -5.943
88 2HG ARG 9 1HG ARG 9 3.950 -0.517 -4.733
89 1HD ARG 9 2HD ARG 9 3.066 0.853 -6.317
90 2HD ARG 9 1HD ARG 9 4.619 0.994 -7.166
91 HE ARG 9 HE ARG 9 3.359 -1.637 -7.432
92 1HH1 ARG 9 1HH2 ARG 9 5.128 0.218 -9.295
93 2HH1 ARG 9 2HH2 ARG 9 4.029 0.395 -10.623
94 1HH2 ARG 9 2HH1 ARG 9 1.300 -0.835 -8.872
95 2HH2 ARG 9 1HH1 ARG 9 1.862 -0.202 -10.383
96 H MET 10 H MET 10 8.513 -0.035 -6.439
97 HA MET 10 HA MET 10 10.882 0.068 -4.743
98 1HB MET 10 2HB MET 10 10.566 1.429 -7.409
99 2HB MET 10 1HB MET 10 11.975 0.600 -6.756
100 1HG MET 10 2HG MET 10 10.390 -1.508 -6.804
101 2HG MET 10 1HG MET 10 9.512 -0.566 -8.009
102 1HE MET 10 3HE MET 10 10.738 0.804 -9.752
103 2HE MET 10 2HE MET 10 11.776 -0.042 -10.897
104 3HE MET 10 1HE MET 10 10.165 -0.666 -10.552
105 H LYS 11 H LYS 11 12.039 2.043 -4.231
106 HA LYS 11 HA LYS 11 10.665 4.632 -4.564
107 1HB LYS 11 2HB LYS 11 10.081 2.986 -2.386
108 2HB LYS 11 1HB LYS 11 11.257 4.134 -1.744
109 1HG LYS 11 2HG LYS 11 9.378 5.531 -3.421
110 2HG LYS 11 1HG LYS 11 8.500 4.582 -2.222
111 1HD LYS 11 2HD LYS 11 9.409 5.739 -0.435
112 2HD LYS 11 1HD LYS 11 10.884 6.147 -1.315
113 1HE LYS 11 2HE LYS 11 9.962 8.041 -2.232
114 2HE LYS 11 1HE LYS 11 8.359 7.297 -2.400
115 1HZ LYS 11 2HZ LYS 11 9.361 7.613 0.314
116 2HZ LYS 11 1HZ LYS 11 8.936 9.051 -0.487
117 3HZ LYS 11 3HZ LYS 11 7.787 7.819 -0.293
118 H LYS 12 H LYS 12 12.038 6.400 -3.501
119 HA LYS 12 HA LYS 12 14.816 6.066 -4.221
120 1HB LYS 12 2HB LYS 12 13.684 8.214 -2.427
121 2HB LYS 12 1HB LYS 12 14.971 8.354 -3.622
122 1HG LYS 12 2HG LYS 12 12.891 7.498 -5.182
123 2HG LYS 12 1HG LYS 12 12.046 8.487 -3.990
124 1HD LYS 12 2HD LYS 12 14.329 9.330 -5.792
125 2HD LYS 12 1HD LYS 12 12.679 9.955 -5.787
126 1HE LYS 12 2HE LYS 12 13.016 10.892 -3.533
127 2HE LYS 12 1HE LYS 12 14.667 10.241 -3.505
128 1HZ LYS 12 2HZ LYS 12 13.871 11.793 -5.848
129 2HZ LYS 12 1HZ LYS 12 14.144 12.659 -4.412
130 3HZ LYS 12 3HZ LYS 12 15.379 11.701 -5.072
131 H LEU 13 H LEU 13 16.241 7.251 -2.198
132 HA LEU 13 HA LEU 13 16.988 5.171 -0.491
133 1HB LEU 13 2HB LEU 13 18.181 6.920 0.712
134 2HB LEU 13 1HB LEU 13 18.199 7.308 -1.009
135 HG LEU 13 HG LEU 13 15.824 8.374 0.288
136 1HD1 LEU 13 2HD1 LEU 13 18.507 8.869 1.522
137 2HD1 LEU 13 1HD1 LEU 13 17.387 10.224 1.386
138 3HD1 LEU 13 3HD1 LEU 13 16.921 8.781 2.288
139 1HD2 LEU 13 2HD2 LEU 13 16.803 9.021 -1.936
140 2HD2 LEU 13 1HD2 LEU 13 16.536 10.396 -0.863
141 3HD2 LEU 13 3HD2 LEU 13 18.162 9.747 -1.077
142 H GLY 14 H GLY 14 16.564 4.806 1.791
143 1HA GLY 14 2HA GLY 14 15.329 5.481 3.835
144 2HA GLY 14 1HA GLY 14 14.032 6.042 2.783
145 H ALA 15 H ALA 15 13.085 4.279 1.346
146 HA ALA 15 HA ALA 15 13.344 1.501 2.092
147 1HB ALA 15 3HB ALA 15 12.061 3.119 3.955
148 2HB ALA 15 2HB ALA 15 10.727 2.373 3.076
149 3HB ALA 15 1HB ALA 15 11.937 1.362 3.866
150 HA PRO 16 HA PRO 16 10.664 0.860 -1.333
151 1HB PRO 16 2HB PRO 16 8.892 -1.076 -0.488
152 2HB PRO 16 1HB PRO 16 10.604 -1.401 -0.847
153 1HG PRO 16 2HG PRO 16 9.255 -1.019 1.775
154 2HG PRO 16 1HG PRO 16 10.556 -2.130 1.325
155 1HD PRO 16 2HD PRO 16 10.955 0.195 2.696
156 2HD PRO 16 1HD PRO 16 12.184 -0.565 1.664
157 H SER 17 H SER 17 8.111 0.601 -1.881
158 HA SER 17 HA SER 17 6.573 2.519 -0.163
159 1HB SER 17 2HB SER 17 7.692 2.965 -2.713
160 2HB SER 17 1HB SER 17 5.970 2.725 -2.995
161 HG SER 17 HG SER 17 6.654 4.925 -2.465
162 H ILE 18 H ILE 18 5.198 0.871 0.673
163 HA ILE 18 HA ILE 18 3.981 -1.142 -1.050
164 HB ILE 18 HB ILE 18 4.530 -0.840 1.626
165 1HG1 ILE 18 2HG1 ILE 18 2.480 -2.705 0.402
166 2HG1 ILE 18 1HG1 ILE 18 4.223 -2.946 0.358
167 1HG2 ILE 18 2HG2 ILE 18 2.562 0.645 1.927
168 2HG2 ILE 18 1HG2 ILE 18 1.522 -0.651 1.336
169 3HG2 ILE 18 3HG2 ILE 18 2.417 -0.856 2.841
170 1HD1 ILE 18 2HD1 ILE 18 3.806 -2.514 3.030
171 2HD1 ILE 18 1HD1 ILE 18 2.324 -3.355 2.576
172 3HD1 ILE 18 3HD1 ILE 18 3.891 -4.109 2.283
173 H THR 19 H THR 19 2.389 -0.643 -2.461
174 HA THR 19 HA THR 19 0.518 1.598 -1.795
175 HB THR 19 HB THR 19 1.900 1.742 -3.864
176 HG1 THR 19 HG1 THR 19 -0.008 2.758 -4.069
177 1HG2 THR 19 3HG2 THR 19 0.396 -0.782 -4.603
178 2HG2 THR 19 2HG2 THR 19 1.404 0.151 -5.709
179 3HG2 THR 19 1HG2 THR 19 2.130 -0.650 -4.315
180 H CYS 20 H CYS 20 -1.485 0.787 -3.666
181 HA CYS 20 HA CYS 20 -2.610 -1.575 -2.209
182 1HB CYS 20 2HB CYS 20 -3.817 0.567 -2.061
183 2HB CYS 20 1HB CYS 20 -3.882 0.666 -3.820
184 H VAL 21 H VAL 21 -2.707 -3.475 -3.376
185 HA VAL 21 HA VAL 21 -2.727 -3.254 -6.359
186 HB VAL 21 HB VAL 21 -1.236 -5.071 -6.447
187 1HG1 VAL 21 1HG1 VAL 21 -0.662 -3.678 -3.816
188 2HG1 VAL 21 3HG1 VAL 21 0.481 -4.718 -4.664
189 3HG1 VAL 21 2HG1 VAL 21 -0.060 -3.213 -5.408
190 1HG2 VAL 21 1HG2 VAL 21 -2.391 -5.790 -3.754
191 2HG2 VAL 21 3HG2 VAL 21 -2.369 -6.752 -5.232
192 3HG2 VAL 21 2HG2 VAL 21 -0.881 -6.507 -4.317
193 H ARG 22 H ARG 22 -4.957 -3.364 -4.427
194 HA ARG 22 HA ARG 22 -6.575 -5.368 -5.826
195 1HB ARG 22 2HB ARG 22 -5.288 -6.626 -4.063
196 2HB ARG 22 1HB ARG 22 -6.085 -5.632 -2.843
197 1HG ARG 22 2HG ARG 22 -7.870 -6.998 -2.895
198 2HG ARG 22 1HG ARG 22 -8.098 -6.629 -4.605
199 1HD ARG 22 2HD ARG 22 -6.298 -8.379 -5.096
200 2HD ARG 22 1HD ARG 22 -6.457 -8.873 -3.398
201 HE ARG 22 HE ARG 22 -8.883 -9.277 -3.858
202 1HH1 ARG 22 1HH2 ARG 22 -9.099 -7.820 -6.453
203 2HH1 ARG 22 2HH2 ARG 22 -9.054 -9.110 -7.607
204 1HH2 ARG 22 2HH1 ARG 22 -7.788 -11.429 -5.361
205 2HH2 ARG 22 1HH1 ARG 22 -8.312 -11.154 -6.989
206 H ARG 23 H ARG 23 -7.965 -3.567 -6.305
207 HA ARG 23 HA ARG 23 -8.956 -1.838 -4.164
208 1HB ARG 23 2HB ARG 23 -9.697 -2.274 -7.075
209 2HB ARG 23 1HB ARG 23 -10.362 -0.985 -6.073
210 1HG ARG 23 2HG ARG 23 -8.082 -0.125 -5.665
211 2HG ARG 23 1HG ARG 23 -7.423 -1.403 -6.685
212 1HD ARG 23 2HD ARG 23 -7.593 0.513 -8.114
213 2HD ARG 23 1HD ARG 23 -8.997 -0.489 -8.530
214 HE ARG 23 HE ARG 23 -10.016 1.032 -6.519
215 1HH1 ARG 23 1HH2 ARG 23 -8.319 3.268 -6.612
216 2HH1 ARG 23 2HH2 ARG 23 -8.865 4.219 -7.952
217 1HH2 ARG 23 2HH1 ARG 23 -10.644 1.624 -9.410
218 2HH2 ARG 23 1HH1 ARG 23 -10.182 3.289 -9.536
219 H ALA 24 H ALA 24 -9.588 -4.158 -3.106
220 HA ALA 24 HA ALA 24 -12.101 -5.312 -4.033
221 1HB ALA 24 2HB ALA 24 -9.993 -5.812 -2.132
222 2HB ALA 24 1HB ALA 24 -11.552 -5.951 -1.319
223 3HB ALA 24 3HB ALA 24 -11.210 -6.936 -2.741
224 H PHE 25 HN PHE 25 -13.779 -3.777 -3.977
225 HA PHE 25 HA PHE 25 -14.292 -1.670 -2.293
226 1HB PHE 25 2HB PHE 25 -16.662 -2.113 -2.780
227 2HB PHE 25 1HB PHE 25 -15.678 -2.467 -4.201
228 HD1 PHE 25 HD1 PHE 25 -17.187 -4.088 -1.184
229 HD2 PHE 25 HD2 PHE 25 -15.765 -4.590 -5.207
230 HE1 PHE 25 HE1 PHE 25 -18.033 -6.420 -1.193
231 HE2 PHE 25 HE2 PHE 25 -16.610 -6.921 -5.215
232 HZ PHE 25 HZ PHE 25 -17.744 -7.836 -3.208
No H/Q in entry = 232
Start of MODEL 17
1 1H PHE 1 3H PHE 1 -8.760 3.688 3.609
2 2H PHE 1 2H PHE 1 -9.809 4.398 2.476
3 3H PHE 1 1H PHE 1 -10.415 3.322 3.643
4 HA PHE 1 HA PHE 1 -10.262 2.192 1.518
5 1HB PHE 1 2HB PHE 1 -8.198 3.943 1.183
6 2HB PHE 1 1HB PHE 1 -7.309 2.455 1.512
7 HD1 PHE 1 HD1 PHE 1 -8.043 0.333 0.194
8 HD2 PHE 1 HD2 PHE 1 -9.057 4.343 -0.966
9 HE1 PHE 1 HE1 PHE 1 -8.490 -0.448 -2.117
10 HE2 PHE 1 HE2 PHE 1 -9.504 3.561 -3.276
11 HZ PHE 1 HZ PHE 1 -9.220 1.166 -3.853
12 H LYS 2 H LYS 2 -9.469 -0.056 1.392
13 HA LYS 2 HA LYS 2 -7.861 -1.062 3.666
14 1HB LYS 2 2HB LYS 2 -10.812 -1.504 3.232
15 2HB LYS 2 1HB LYS 2 -9.846 -2.696 4.103
16 1HG LYS 2 2HG LYS 2 -9.073 -0.884 5.639
17 2HG LYS 2 1HG LYS 2 -10.158 0.235 4.814
18 1HD LYS 2 2HD LYS 2 -10.993 -2.303 6.251
19 2HD LYS 2 1HD LYS 2 -11.224 -0.658 6.846
20 1HE LYS 2 2HE LYS 2 -12.680 -0.137 4.936
21 2HE LYS 2 1HE LYS 2 -12.415 -1.764 4.275
22 1HZ LYS 2 3HZ LYS 2 -13.210 -1.591 7.074
23 2HZ LYS 2 2HZ LYS 2 -14.408 -1.218 5.928
24 3HZ LYS 2 1HZ LYS 2 -13.640 -2.733 5.896
25 H CYS 3 H CYS 3 -6.499 -1.638 1.761
26 HA CYS 3 HA CYS 3 -7.498 -3.512 -0.242
27 1HB CYS 3 2HB CYS 3 -5.468 -1.758 -0.111
28 2HB CYS 3 1HB CYS 3 -4.599 -3.213 0.363
29 H ARG 4 H ARG 4 -5.418 -5.346 -0.357
30 HA ARG 4 HA ARG 4 -5.503 -6.831 2.225
31 1HB ARG 4 2HB ARG 4 -6.167 -8.848 0.867
32 2HB ARG 4 1HB ARG 4 -7.394 -7.582 0.924
33 1HG ARG 4 2HG ARG 4 -7.320 -8.130 -1.357
34 2HG ARG 4 1HG ARG 4 -6.270 -6.719 -1.262
35 1HD ARG 4 2HD ARG 4 -4.620 -7.970 -2.181
36 2HD ARG 4 1HD ARG 4 -4.624 -8.967 -0.712
37 HE ARG 4 HE ARG 4 -6.844 -9.762 -2.295
38 1HH1 ARG 4 1HH2 ARG 4 -3.750 -10.655 -1.433
39 2HH1 ARG 4 2HH2 ARG 4 -3.462 -11.679 -2.800
40 1HH2 ARG 4 2HH1 ARG 4 -6.336 -10.697 -4.474
41 2HH2 ARG 4 1HH1 ARG 4 -4.926 -11.702 -4.523
42 H ARG 5 H ARG 5 -4.010 -6.377 -0.956
43 HA ARG 5 HA ARG 5 -1.668 -7.990 0.004
44 1HB ARG 5 2HB ARG 5 -2.863 -9.041 -1.834
45 2HB ARG 5 1HB ARG 5 -2.817 -7.543 -2.764
46 1HG ARG 5 2HG ARG 5 -0.953 -8.483 -3.689
47 2HG ARG 5 1HG ARG 5 -0.170 -7.868 -2.233
48 1HD ARG 5 2HD ARG 5 -1.368 -10.370 -1.554
49 2HD ARG 5 1HD ARG 5 -0.444 -10.599 -3.052
50 HE ARG 5 HE ARG 5 0.682 -9.514 -0.507
51 1HH1 ARG 5 1HH2 ARG 5 1.024 -11.761 -2.964
52 2HH1 ARG 5 2HH2 ARG 5 2.720 -11.508 -3.207
53 1HH2 ARG 5 2HH1 ARG 5 2.872 -8.734 -1.132
54 2HH2 ARG 5 1HH1 ARG 5 3.766 -9.795 -2.169
55 H TRP 6 H TRP 6 -1.035 -5.756 0.945
56 HA TRP 6 HA TRP 6 -0.292 -3.642 -0.868
57 1HB TRP 6 2HB TRP 6 0.379 -4.340 1.998
58 2HB TRP 6 1HB TRP 6 0.839 -2.818 1.234
59 HD1 TRP 6 HD1 TRP 6 -2.140 -4.723 2.501
60 HE1 TRP 6 HE1 TRP 6 -4.185 -3.157 2.516
61 HE3 TRP 6 HE3 TRP 6 -0.164 -0.755 0.080
62 HZ2 TRP 6 HZ2 TRP 6 -4.885 -0.516 1.614
63 HZ3 TRP 6 HZ3 TRP 6 -1.513 1.294 -0.345
64 HH2 TRP 6 HH2 TRP 6 -3.872 1.413 0.419
65 H GLN 7 H GLN 7 1.175 -4.499 -2.458
66 HA GLN 7 HA GLN 7 3.552 -6.011 -1.582
67 1HB GLN 7 2HB GLN 7 2.382 -6.627 -3.624
68 2HB GLN 7 1HB GLN 7 2.537 -4.985 -4.250
69 1HG GLN 7 2HG GLN 7 4.399 -5.795 -5.279
70 2HG GLN 7 1HG GLN 7 5.147 -5.587 -3.695
71 1HE2 GLN 7 2HE2 GLN 7 5.115 -9.238 -5.156
72 2HE2 GLN 7 1HE2 GLN 7 5.104 -7.798 -6.056
73 H TRP 8 H TRP 8 5.141 -4.751 -0.627
74 HA TRP 8 HA TRP 8 5.608 -2.025 -0.802
75 1HB TRP 8 2HB TRP 8 7.303 -4.454 -0.408
76 2HB TRP 8 1HB TRP 8 8.094 -2.880 -0.520
77 HD1 TRP 8 HD1 TRP 8 6.271 -5.046 1.815
78 HE1 TRP 8 HE1 TRP 8 5.743 -3.806 4.002
79 HE3 TRP 8 HE3 TRP 8 7.352 -0.323 0.383
80 HZ2 TRP 8 HZ2 TRP 8 5.782 -1.127 5.017
81 HZ3 TRP 8 HZ3 TRP 8 7.106 1.581 1.957
82 HH2 TRP 8 HH2 TRP 8 6.318 1.182 4.275
83 H ARG 9 H ARG 9 5.494 -0.995 -2.809
84 HA ARG 9 HA ARG 9 6.753 -2.109 -5.202
85 1HB ARG 9 2HB ARG 9 5.417 0.503 -4.449
86 2HB ARG 9 1HB ARG 9 6.037 0.192 -6.069
87 1HG ARG 9 2HG ARG 9 4.595 -1.800 -6.248
88 2HG ARG 9 1HG ARG 9 3.976 -1.499 -4.623
89 1HD ARG 9 2HD ARG 9 2.404 -0.143 -5.528
90 2HD ARG 9 1HD ARG 9 3.701 0.937 -6.079
91 HE ARG 9 HE ARG 9 2.626 -1.355 -7.673
92 1HH1 ARG 9 2HH1 ARG 9 5.061 -1.103 -8.905
93 2HH1 ARG 9 1HH1 ARG 9 4.984 0.305 -9.911
94 1HH2 ARG 9 1HH2 ARG 9 2.219 1.634 -8.293
95 2HH2 ARG 9 2HH2 ARG 9 3.375 1.855 -9.564
96 H MET 10 H MET 10 8.198 -0.327 -6.441
97 HA MET 10 HA MET 10 10.615 -0.026 -4.851
98 1HB MET 10 2HB MET 10 10.072 1.293 -7.506
99 2HB MET 10 1HB MET 10 11.574 0.593 -6.912
100 1HG MET 10 2HG MET 10 9.770 -1.539 -6.871
101 2HG MET 10 1HG MET 10 9.403 -0.688 -8.371
102 1HE MET 10 1HE MET 10 10.727 -0.119 -10.062
103 2HE MET 10 3HE MET 10 12.212 -0.908 -10.608
104 3HE MET 10 2HE MET 10 10.699 -1.808 -10.562
105 H LYS 11 H LYS 11 11.653 2.034 -4.405
106 HA LYS 11 HA LYS 11 10.076 4.512 -4.665
107 1HB LYS 11 2HB LYS 11 9.880 2.801 -2.396
108 2HB LYS 11 1HB LYS 11 10.786 4.228 -1.891
109 1HG LYS 11 2HG LYS 11 8.085 4.223 -3.272
110 2HG LYS 11 1HG LYS 11 8.390 4.623 -1.581
111 1HD LYS 11 2HD LYS 11 9.903 6.476 -2.369
112 2HD LYS 11 1HD LYS 11 9.367 6.139 -4.015
113 1HE LYS 11 2HE LYS 11 7.232 6.968 -3.636
114 2HE LYS 11 1HE LYS 11 7.276 6.572 -1.906
115 1HZ LYS 11 2HZ LYS 11 9.060 8.587 -3.154
116 2HZ LYS 11 1HZ LYS 11 7.571 8.992 -2.443
117 3HZ LYS 11 3HZ LYS 11 8.804 8.312 -1.498
118 H LYS 12 H LYS 12 11.365 6.393 -3.778
119 HA LYS 12 HA LYS 12 14.131 6.235 -4.578
120 1HB LYS 12 2HB LYS 12 12.910 8.344 -2.797
121 2HB LYS 12 1HB LYS 12 14.146 8.544 -4.036
122 1HG LYS 12 2HG LYS 12 11.909 7.419 -5.347
123 2HG LYS 12 1HG LYS 12 11.278 8.702 -4.314
124 1HD LYS 12 2HD LYS 12 13.658 9.703 -5.486
125 2HD LYS 12 1HD LYS 12 12.735 8.944 -6.784
126 1HE LYS 12 2HE LYS 12 11.003 10.491 -5.012
127 2HE LYS 12 1HE LYS 12 12.270 11.494 -5.747
128 1HZ LYS 12 1HZ LYS 12 11.708 10.169 -7.861
129 2HZ LYS 12 3HZ LYS 12 10.249 9.805 -7.078
130 3HZ LYS 12 2HZ LYS 12 10.660 11.422 -7.393
131 H LEU 13 H LEU 13 15.539 7.579 -2.640
132 HA LEU 13 HA LEU 13 16.502 5.603 -0.916
133 1HB LEU 13 2HB LEU 13 17.601 7.466 0.203
134 2HB LEU 13 1HB LEU 13 17.530 7.809 -1.526
135 HG LEU 13 HG LEU 13 15.129 8.731 -0.166
136 1HD1 LEU 13 1HD1 LEU 13 17.803 9.421 0.974
137 2HD1 LEU 13 3HD1 LEU 13 16.627 10.725 0.804
138 3HD1 LEU 13 2HD1 LEU 13 16.236 9.306 1.776
139 1HD2 LEU 13 1HD2 LEU 13 16.140 9.345 -2.457
140 2HD2 LEU 13 3HD2 LEU 13 15.524 10.675 -1.476
141 3HD2 LEU 13 2HD2 LEU 13 17.259 10.367 -1.555
142 H GLY 14 H GLY 14 16.178 5.249 1.380
143 1HA GLY 14 2HA GLY 14 14.974 5.877 3.457
144 2HA GLY 14 1HA GLY 14 13.605 6.331 2.444
145 H ALA 15 H ALA 15 12.733 4.477 1.070
146 HA ALA 15 HA ALA 15 13.204 1.738 1.862
147 1HB ALA 15 3HB ALA 15 11.649 3.423 3.596
148 2HB ALA 15 2HB ALA 15 10.601 2.172 2.929
149 3HB ALA 15 1HB ALA 15 12.062 1.722 3.806
150 HA PRO 16 HA PRO 16 10.462 0.833 -1.455
151 1HB PRO 16 2HB PRO 16 8.821 -1.168 -0.497
152 2HB PRO 16 1HB PRO 16 10.536 -1.411 -0.904
153 1HG PRO 16 2HG PRO 16 9.254 -1.016 1.750
154 2HG PRO 16 1HG PRO 16 10.593 -2.078 1.289
155 1HD PRO 16 2HD PRO 16 10.928 0.299 2.578
156 2HD PRO 16 1HD PRO 16 12.153 -0.423 1.512
157 H SER 17 H SER 17 7.905 0.409 -1.906
158 HA SER 17 HA SER 17 6.323 2.309 -0.208
159 1HB SER 17 2HB SER 17 7.244 2.555 -2.938
160 2HB SER 17 1HB SER 17 5.482 2.532 -2.902
161 HG SER 17 HG SER 17 5.738 4.120 -1.134
162 H ILE 18 H ILE 18 5.068 0.617 0.728
163 HA ILE 18 HA ILE 18 3.899 -1.511 -0.882
164 HB ILE 18 HB ILE 18 4.511 -1.099 1.754
165 1HG1 ILE 18 2HG1 ILE 18 2.428 -3.049 0.736
166 2HG1 ILE 18 1HG1 ILE 18 4.167 -3.257 0.550
167 1HG2 ILE 18 2HG2 ILE 18 1.503 -0.870 1.516
168 2HG2 ILE 18 1HG2 ILE 18 2.381 -1.180 3.015
169 3HG2 ILE 18 3HG2 ILE 18 2.596 0.353 2.169
170 1HD1 ILE 18 2HD1 ILE 18 3.904 -2.703 3.246
171 2HD1 ILE 18 1HD1 ILE 18 2.481 -3.690 2.907
172 3HD1 ILE 18 3HD1 ILE 18 4.092 -4.313 2.550
173 H THR 19 H THR 19 2.275 -1.107 -2.292
174 HA THR 19 HA THR 19 0.246 0.985 -1.581
175 HB THR 19 HB THR 19 0.953 -0.094 -4.322
176 HG1 THR 19 HG1 THR 19 2.818 0.782 -3.541
177 1HG2 THR 19 3HG2 THR 19 -0.505 2.328 -3.263
178 2HG2 THR 19 2HG2 THR 19 0.110 2.259 -4.915
179 3HG2 THR 19 1HG2 THR 19 -1.100 1.094 -4.373
180 H CYS 20 H CYS 20 -1.957 0.461 -2.640
181 HA CYS 20 HA CYS 20 -2.769 -2.232 -1.832
182 1HB CYS 20 2HB CYS 20 -4.244 -0.414 -1.379
183 2HB CYS 20 1HB CYS 20 -4.088 0.222 -3.016
184 H VAL 21 H VAL 21 -2.344 -3.931 -3.222
185 HA VAL 21 HA VAL 21 -2.473 -3.425 -6.152
186 HB VAL 21 HB VAL 21 -0.925 -5.185 -6.362
187 1HG1 VAL 21 1HG1 VAL 21 -0.513 -4.099 -3.560
188 2HG1 VAL 21 3HG1 VAL 21 0.697 -5.001 -4.472
189 3HG1 VAL 21 2HG1 VAL 21 0.146 -3.430 -5.053
190 1HG2 VAL 21 1HG2 VAL 21 -2.469 -6.301 -4.109
191 2HG2 VAL 21 3HG2 VAL 21 -1.692 -7.127 -5.459
192 3HG2 VAL 21 2HG2 VAL 21 -0.744 -6.657 -4.049
193 H ARG 22 H ARG 22 -4.695 -3.883 -4.193
194 HA ARG 22 HA ARG 22 -6.318 -5.634 -5.886
195 1HB ARG 22 2HB ARG 22 -5.022 -7.217 -4.487
196 2HB ARG 22 1HB ARG 22 -5.615 -6.410 -3.035
197 1HG ARG 22 2HG ARG 22 -7.136 -8.159 -3.217
198 2HG ARG 22 1HG ARG 22 -7.980 -6.889 -4.102
199 1HD ARG 22 2HD ARG 22 -7.113 -7.775 -6.236
200 2HD ARG 22 1HD ARG 22 -6.241 -9.045 -5.356
201 HE ARG 22 HE ARG 22 -8.431 -9.912 -4.592
202 1HH1 ARG 22 2HH1 ARG 22 -10.720 -8.870 -4.648
203 2HH1 ARG 22 1HH1 ARG 22 -11.301 -8.635 -6.262
204 1HH2 ARG 22 1HH2 ARG 22 -8.182 -9.019 -7.725
205 2HH2 ARG 22 2HH2 ARG 22 -9.864 -8.719 -8.004
206 H ARG 23 H ARG 23 -7.566 -3.593 -5.936
207 HA ARG 23 HA ARG 23 -8.630 -2.491 -3.446
208 1HB ARG 23 2HB ARG 23 -9.244 -2.079 -6.392
209 2HB ARG 23 1HB ARG 23 -9.905 -1.084 -5.096
210 1HG ARG 23 2HG ARG 23 -7.636 -0.444 -4.402
211 2HG ARG 23 1HG ARG 23 -6.953 -1.463 -5.669
212 1HD ARG 23 2HD ARG 23 -7.482 0.032 -7.339
213 2HD ARG 23 1HD ARG 23 -8.980 0.548 -6.537
214 HE ARG 23 HE ARG 23 -6.523 1.283 -5.106
215 1HH1 ARG 23 1HH2 ARG 23 -8.495 2.122 -7.781
216 2HH1 ARG 23 2HH2 ARG 23 -8.429 3.826 -7.477
217 1HH2 ARG 23 2HH1 ARG 23 -6.610 3.500 -4.542
218 2HH2 ARG 23 1HH1 ARG 23 -7.362 4.606 -5.644
219 H ALA 24 H ALA 24 -9.416 -4.900 -2.990
220 HA ALA 24 HA ALA 24 -11.628 -6.074 -4.288
221 1HB ALA 24 1HB ALA 24 -10.666 -5.955 -1.424
222 2HB ALA 24 3HB ALA 24 -12.040 -6.956 -1.895
223 3HB ALA 24 2HB ALA 24 -10.448 -7.259 -2.592
224 H PHE 25 HN PHE 25 -13.482 -4.947 -4.797
225 HA PHE 25 HA PHE 25 -14.535 -2.620 -3.789
226 1HB PHE 25 2HB PHE 25 -15.636 -5.136 -4.943
227 2HB PHE 25 1HB PHE 25 -16.800 -4.013 -4.240
228 HD1 PHE 25 HD1 PHE 25 -16.764 -1.579 -5.004
229 HD2 PHE 25 HD2 PHE 25 -14.653 -4.706 -7.055
230 HE1 PHE 25 HE1 PHE 25 -16.607 -0.148 -7.024
231 HE2 PHE 25 HE2 PHE 25 -14.496 -3.275 -9.075
232 HZ PHE 25 HZ PHE 25 -15.473 -0.996 -9.059
No H/Q in entry = 232
Start of MODEL 18
1 1H PHE 1 2H PHE 1 -8.074 2.417 -1.592
2 2H PHE 1 1H PHE 1 -9.051 3.783 -1.847
3 3H PHE 1 3H PHE 1 -8.276 3.565 -0.355
4 HA PHE 1 HA PHE 1 -10.534 2.956 -0.015
5 1HB PHE 1 2HB PHE 1 -11.442 1.180 -1.638
6 2HB PHE 1 1HB PHE 1 -11.200 2.795 -2.303
7 HD1 PHE 1 HD2 PHE 1 -9.422 -0.472 -1.844
8 HD2 PHE 1 HD1 PHE 1 -9.885 3.076 -4.220
9 HE1 PHE 1 HE2 PHE 1 -7.860 -1.398 -3.532
10 HE2 PHE 1 HE1 PHE 1 -8.322 2.150 -5.908
11 HZ PHE 1 HZ PHE 1 -7.309 -0.087 -5.565
12 H LYS 2 H LYS 2 -11.300 0.759 0.830
13 HA LYS 2 HA LYS 2 -9.497 -0.505 2.506
14 1HB LYS 2 2HB LYS 2 -12.087 -0.736 2.059
15 2HB LYS 2 1HB LYS 2 -11.595 -2.112 1.070
16 1HG LYS 2 2HG LYS 2 -11.131 -3.377 2.884
17 2HG LYS 2 1HG LYS 2 -10.245 -2.066 3.664
18 1HD LYS 2 2HD LYS 2 -12.139 -1.226 4.718
19 2HD LYS 2 1HD LYS 2 -13.234 -1.898 3.510
20 1HE LYS 2 2HE LYS 2 -11.704 -3.963 4.938
21 2HE LYS 2 1HE LYS 2 -12.773 -3.019 5.993
22 1HZ LYS 2 1HZ LYS 2 -13.698 -3.970 3.357
23 2HZ LYS 2 3HZ LYS 2 -13.783 -4.984 4.713
24 3HZ LYS 2 2HZ LYS 2 -14.623 -3.507 4.704
25 H CYS 3 H CYS 3 -7.500 -1.265 1.848
26 HA CYS 3 HA CYS 3 -7.348 -2.897 -0.656
27 1HB CYS 3 2HB CYS 3 -5.902 -0.753 0.205
28 2HB CYS 3 1HB CYS 3 -4.900 -2.082 0.782
29 H ARG 4 H ARG 4 -4.959 -4.199 -0.030
30 HA ARG 4 HA ARG 4 -5.042 -5.597 2.497
31 1HB ARG 4 2HB ARG 4 -7.064 -6.564 1.750
32 2HB ARG 4 1HB ARG 4 -6.478 -6.712 0.094
33 1HG ARG 4 2HG ARG 4 -4.965 -8.171 2.210
34 2HG ARG 4 1HG ARG 4 -6.546 -8.811 1.761
35 1HD ARG 4 2HD ARG 4 -5.495 -8.313 -0.713
36 2HD ARG 4 1HD ARG 4 -4.033 -8.751 0.193
37 HE ARG 4 HE ARG 4 -5.418 -10.779 0.992
38 1HH1 ARG 4 1HH2 ARG 4 -7.911 -10.075 -0.494
39 2HH1 ARG 4 2HH2 ARG 4 -7.758 -11.018 -1.939
40 1HH2 ARG 4 2HH1 ARG 4 -4.365 -11.597 -1.517
41 2HH2 ARG 4 1HH1 ARG 4 -5.750 -11.880 -2.518
42 H ARG 5 H ARG 5 -4.463 -6.567 -0.896
43 HA ARG 5 HA ARG 5 -1.895 -7.789 -0.155
44 1HB ARG 5 2HB ARG 5 -3.849 -8.305 -1.981
45 2HB ARG 5 1HB ARG 5 -2.678 -7.458 -2.992
46 1HG ARG 5 2HG ARG 5 -1.838 -9.696 -1.148
47 2HG ARG 5 1HG ARG 5 -2.413 -10.015 -2.784
48 1HD ARG 5 2HD ARG 5 -0.240 -7.973 -2.318
49 2HD ARG 5 1HD ARG 5 0.152 -9.699 -2.448
50 HE ARG 5 HE ARG 5 -1.620 -8.627 -4.550
51 1HH1 ARG 5 1HH2 ARG 5 1.634 -8.373 -3.746
52 2HH1 ARG 5 2HH2 ARG 5 2.232 -9.036 -5.231
53 1HH2 ARG 5 2HH1 ARG 5 -0.900 -9.980 -6.379
54 2HH2 ARG 5 1HH1 ARG 5 0.798 -9.946 -6.722
55 H TRP 6 H TRP 6 -1.598 -5.134 0.431
56 HA TRP 6 HA TRP 6 -0.848 -3.262 -1.457
57 1HB TRP 6 2HB TRP 6 0.410 -4.055 1.182
58 2HB TRP 6 1HB TRP 6 0.800 -2.564 0.324
59 HD1 TRP 6 HD1 TRP 6 -2.185 -4.336 1.954
60 HE1 TRP 6 HE1 TRP 6 -3.931 -2.553 2.577
61 HE3 TRP 6 HE3 TRP 6 0.031 -0.253 -0.047
62 HZ2 TRP 6 HZ2 TRP 6 -4.325 0.277 2.276
63 HZ3 TRP 6 HZ3 TRP 6 -1.024 1.993 0.122
64 HH2 TRP 6 HH2 TRP 6 -3.201 2.258 1.284
65 H GLN 7 H GLN 7 1.603 -2.657 -1.905
66 HA GLN 7 HA GLN 7 3.321 -5.044 -2.311
67 1HB GLN 7 2HB GLN 7 2.028 -5.093 -4.305
68 2HB GLN 7 1HB GLN 7 2.058 -3.337 -4.461
69 1HG GLN 7 2HG GLN 7 4.256 -3.307 -5.239
70 2HG GLN 7 1HG GLN 7 4.647 -4.858 -4.494
71 1HE2 GLN 7 2HE2 GLN 7 3.149 -4.763 -8.263
72 2HE2 GLN 7 1HE2 GLN 7 3.422 -3.337 -7.385
73 H TRP 8 H TRP 8 4.865 -3.994 -0.918
74 HA TRP 8 HA TRP 8 5.742 -1.381 -0.819
75 1HB TRP 8 2HB TRP 8 7.036 -4.065 -0.605
76 2HB TRP 8 1HB TRP 8 8.079 -2.644 -0.586
77 HD1 TRP 8 HD1 TRP 8 5.949 -4.680 1.573
78 HE1 TRP 8 HE1 TRP 8 5.561 -3.539 3.842
79 HE3 TRP 8 HE3 TRP 8 7.667 -0.036 0.502
80 HZ2 TRP 8 HZ2 TRP 8 5.941 -0.974 5.056
81 HZ3 TRP 8 HZ3 TRP 8 7.655 1.756 2.217
82 HH2 TRP 8 HH2 TRP 8 6.791 1.291 4.495
83 H ARG 9 H ARG 9 5.642 -0.317 -2.895
84 HA ARG 9 HA ARG 9 7.074 -1.374 -5.211
85 1HB ARG 9 2HB ARG 9 5.457 1.015 -4.442
86 2HB ARG 9 1HB ARG 9 6.524 1.180 -5.837
87 1HG ARG 9 2HG ARG 9 5.483 -1.092 -6.595
88 2HG ARG 9 1HG ARG 9 4.198 -0.691 -5.455
89 1HD ARG 9 2HD ARG 9 3.445 0.242 -7.507
90 2HD ARG 9 1HD ARG 9 4.166 1.627 -6.664
91 HE ARG 9 HE ARG 9 6.281 1.122 -7.965
92 1HH1 ARG 9 1HH2 ARG 9 5.549 -1.468 -9.167
93 2HH1 ARG 9 2HH2 ARG 9 4.994 -1.024 -10.745
94 1HH2 ARG 9 2HH1 ARG 9 4.559 2.321 -9.940
95 2HH2 ARG 9 1HH1 ARG 9 4.433 1.122 -11.184
96 H MET 10 H MET 10 8.467 0.706 -6.253
97 HA MET 10 HA MET 10 10.842 0.808 -4.533
98 1HB MET 10 2HB MET 10 10.536 2.330 -7.098
99 2HB MET 10 1HB MET 10 11.928 1.441 -6.495
100 1HG MET 10 2HG MET 10 10.156 -0.596 -6.748
101 2HG MET 10 1HG MET 10 9.595 0.463 -8.043
102 1HE MET 10 2HE MET 10 12.035 -1.638 -6.456
103 2HE MET 10 1HE MET 10 11.701 -2.647 -7.861
104 3HE MET 10 3HE MET 10 13.324 -1.991 -7.605
105 H LYS 11 H LYS 11 11.807 2.757 -3.785
106 HA LYS 11 HA LYS 11 10.311 5.304 -4.026
107 1HB LYS 11 2HB LYS 11 9.832 3.505 -1.947
108 2HB LYS 11 1HB LYS 11 10.925 4.699 -1.246
109 1HG LYS 11 2HG LYS 11 9.346 6.440 -2.401
110 2HG LYS 11 1HG LYS 11 8.190 5.109 -2.425
111 1HD LYS 11 2HD LYS 11 8.476 4.828 0.020
112 2HD LYS 11 1HD LYS 11 9.599 6.187 0.035
113 1HE LYS 11 2HE LYS 11 6.740 6.400 -0.967
114 2HE LYS 11 1HE LYS 11 7.247 6.837 0.677
115 1HZ LYS 11 1HZ LYS 11 8.946 8.292 -0.315
116 2HZ LYS 11 3HZ LYS 11 8.334 7.946 -1.858
117 3HZ LYS 11 2HZ LYS 11 7.371 8.775 -0.730
118 H LYS 12 H LYS 12 11.671 6.367 -1.704
119 HA LYS 12 HA LYS 12 14.000 7.468 -2.831
120 1HB LYS 12 2HB LYS 12 13.649 6.887 0.114
121 2HB LYS 12 1HB LYS 12 14.443 8.272 -0.629
122 1HG LYS 12 2HG LYS 12 11.833 8.262 -1.681
123 2HG LYS 12 1HG LYS 12 11.647 7.929 0.041
124 1HD LYS 12 2HD LYS 12 11.753 10.213 0.192
125 2HD LYS 12 1HD LYS 12 13.489 9.903 0.164
126 1HE LYS 12 2HE LYS 12 11.944 10.275 -2.409
127 2HE LYS 12 1HE LYS 12 12.593 11.663 -1.512
128 1HZ LYS 12 3HZ LYS 12 14.741 10.364 -1.422
129 2HZ LYS 12 2HZ LYS 12 14.076 9.342 -2.605
130 3HZ LYS 12 1HZ LYS 12 14.317 10.989 -2.942
131 H LEU 13 H LEU 13 16.113 7.074 -1.131
132 HA LEU 13 HA LEU 13 17.376 4.744 -2.177
133 1HB LEU 13 2HB LEU 13 19.199 5.451 -0.679
134 2HB LEU 13 1HB LEU 13 18.490 6.846 -1.494
135 HG LEU 13 HG LEU 13 16.966 6.434 0.858
136 1HD1 LEU 13 3HD1 LEU 13 19.385 5.233 1.299
137 2HD1 LEU 13 2HD1 LEU 13 19.724 6.883 1.820
138 3HD1 LEU 13 1HD1 LEU 13 18.407 5.977 2.563
139 1HD2 LEU 13 3HD2 LEU 13 18.695 8.466 -0.388
140 2HD2 LEU 13 2HD2 LEU 13 17.138 8.658 0.418
141 3HD2 LEU 13 1HD2 LEU 13 18.621 8.582 1.370
142 H GLY 14 H GLY 14 17.469 2.673 -1.376
143 1HA GLY 14 2HA GLY 14 16.837 0.839 -0.035
144 2HA GLY 14 1HA GLY 14 17.574 1.799 1.243
145 H ALA 15 H ALA 15 14.585 2.288 -0.635
146 HA ALA 15 HA ALA 15 12.941 1.827 1.774
147 1HB ALA 15 1HB ALA 15 13.784 4.469 0.736
148 2HB ALA 15 3HB ALA 15 12.066 4.326 1.108
149 3HB ALA 15 2HB ALA 15 13.268 4.014 2.360
150 HA PRO 16 HA PRO 16 10.471 0.843 -1.843
151 1HB PRO 16 2HB PRO 16 8.860 -0.972 -0.558
152 2HB PRO 16 1HB PRO 16 10.496 -1.353 -1.137
153 1HG PRO 16 2HG PRO 16 9.531 -0.898 1.604
154 2HG PRO 16 1HG PRO 16 10.921 -1.828 1.033
155 1HD PRO 16 2HD PRO 16 10.945 0.768 2.161
156 2HD PRO 16 1HD PRO 16 12.309 -0.097 1.422
157 H SER 17 H SER 17 7.830 0.544 -1.868
158 HA SER 17 HA SER 17 6.577 2.542 -0.043
159 1HB SER 17 2HB SER 17 7.450 3.052 -2.686
160 2HB SER 17 1HB SER 17 5.696 2.915 -2.774
161 HG SER 17 HG SER 17 6.787 4.364 -0.655
162 H ILE 18 H ILE 18 5.318 0.785 0.835
163 HA ILE 18 HA ILE 18 3.912 -1.145 -0.742
164 HB ILE 18 HB ILE 18 4.434 -0.591 1.933
165 1HG1 ILE 18 2HG1 ILE 18 2.481 -2.625 0.820
166 2HG1 ILE 18 1HG1 ILE 18 4.233 -2.811 0.844
167 1HG2 ILE 18 1HG2 ILE 18 1.470 -0.304 1.405
168 2HG2 ILE 18 3HG2 ILE 18 2.129 -0.758 2.977
169 3HG2 ILE 18 2HG2 ILE 18 2.523 0.811 2.275
170 1HD1 ILE 18 1HD1 ILE 18 3.724 -2.159 3.454
171 2HD1 ILE 18 3HD1 ILE 18 2.278 -3.079 3.038
172 3HD1 ILE 18 2HD1 ILE 18 3.872 -3.810 2.856
173 H THR 19 H THR 19 2.439 -0.568 -2.275
174 HA THR 19 HA THR 19 0.623 1.749 -1.731
175 HB THR 19 HB THR 19 1.397 0.338 -4.306
176 HG1 THR 19 HG1 THR 19 3.155 1.416 -3.570
177 1HG2 THR 19 3HG2 THR 19 -0.271 2.773 -3.679
178 2HG2 THR 19 2HG2 THR 19 0.483 2.548 -5.258
179 3HG2 THR 19 1HG2 THR 19 -0.699 1.378 -4.670
180 H CYS 20 H CYS 20 -1.606 1.408 -2.872
181 HA CYS 20 HA CYS 20 -2.779 -1.048 -1.801
182 1HB CYS 20 2HB CYS 20 -3.863 1.179 -1.710
183 2HB CYS 20 1HB CYS 20 -3.914 1.222 -3.472
184 H VAL 21 H VAL 21 -2.937 -2.922 -2.948
185 HA VAL 21 HA VAL 21 -3.177 -2.776 -5.910
186 HB VAL 21 HB VAL 21 -0.944 -3.332 -5.895
187 1HG1 VAL 21 2HG1 VAL 21 -1.475 -4.064 -3.045
188 2HG1 VAL 21 1HG1 VAL 21 -0.019 -4.690 -3.815
189 3HG1 VAL 21 3HG1 VAL 21 -0.285 -2.949 -3.715
190 1HG2 VAL 21 1HG2 VAL 21 -2.137 -5.455 -6.568
191 2HG2 VAL 21 3HG2 VAL 21 -0.506 -5.694 -5.943
192 3HG2 VAL 21 2HG2 VAL 21 -1.899 -6.031 -4.918
193 H ARG 22 H ARG 22 -5.114 -3.202 -3.835
194 HA ARG 22 HA ARG 22 -6.329 -5.675 -4.846
195 1HB ARG 22 2HB ARG 22 -4.691 -6.327 -3.021
196 2HB ARG 22 1HB ARG 22 -5.689 -5.406 -1.894
197 1HG ARG 22 2HG ARG 22 -6.820 -7.358 -1.625
198 2HG ARG 22 1HG ARG 22 -7.572 -6.943 -3.166
199 1HD ARG 22 2HD ARG 22 -4.962 -8.216 -3.537
200 2HD ARG 22 1HD ARG 22 -6.110 -9.258 -2.673
201 HE ARG 22 HE ARG 22 -7.748 -8.697 -4.548
202 1HH1 ARG 22 2HH1 ARG 22 -6.656 -6.828 -6.286
203 2HH1 ARG 22 1HH1 ARG 22 -5.681 -7.714 -7.411
204 1HH2 ARG 22 1HH2 ARG 22 -5.488 -10.547 -5.419
205 2HH2 ARG 22 2HH2 ARG 22 -5.020 -9.819 -6.921
206 H ARG 23 H ARG 23 -8.119 -4.348 -5.438
207 HA ARG 23 HA ARG 23 -9.356 -2.524 -3.519
208 1HB ARG 23 2HB ARG 23 -10.927 -2.191 -5.376
209 2HB ARG 23 1HB ARG 23 -9.276 -2.204 -5.992
210 1HG ARG 23 2HG ARG 23 -9.732 -4.792 -6.272
211 2HG ARG 23 1HG ARG 23 -11.421 -4.280 -6.274
212 1HD ARG 23 2HD ARG 23 -10.880 -2.648 -8.101
213 2HD ARG 23 1HD ARG 23 -9.239 -3.319 -8.159
214 HE ARG 23 HE ARG 23 -10.156 -5.416 -8.937
215 1HH1 ARG 23 2HH1 ARG 23 -12.750 -5.150 -7.328
216 2HH1 ARG 23 1HH1 ARG 23 -13.911 -4.992 -8.604
217 1HH2 ARG 23 1HH2 ARG 23 -11.541 -4.272 -11.031
218 2HH2 ARG 23 2HH2 ARG 23 -13.227 -4.495 -10.700
219 H ALA 24 H ALA 24 -10.040 -3.815 -1.735
220 HA ALA 24 HA ALA 24 -11.924 -6.057 -2.302
221 1HB ALA 24 3HB ALA 24 -9.879 -6.203 -0.769
222 2HB ALA 24 2HB ALA 24 -10.755 -5.145 0.339
223 3HB ALA 24 1HB ALA 24 -11.405 -6.736 -0.061
224 H PHE 25 HN PHE 25 -13.961 -5.144 -2.625
225 HA PHE 25 HA PHE 25 -15.097 -2.811 -1.731
226 1HB PHE 25 2HB PHE 25 -16.065 -5.586 -2.243
227 2HB PHE 25 1HB PHE 25 -17.203 -4.464 -1.496
228 HD1 PHE 25 HD2 PHE 25 -14.944 -4.935 -4.421
229 HD2 PHE 25 HD1 PHE 25 -18.229 -2.728 -2.754
230 HE1 PHE 25 HE2 PHE 25 -15.352 -3.877 -6.627
231 HE2 PHE 25 HE1 PHE 25 -18.638 -1.670 -4.959
232 HZ PHE 25 HZ PHE 25 -17.199 -2.244 -6.896
No H/Q in entry = 232
Start of MODEL 19
1 1H PHE 1 2H PHE 1 -10.307 2.806 3.174
2 2H PHE 1 1H PHE 1 -9.085 3.614 2.313
3 3H PHE 1 3H PHE 1 -10.709 3.819 1.870
4 HA PHE 1 HA PHE 1 -10.827 1.842 0.770
5 1HB PHE 1 2HB PHE 1 -8.557 3.414 0.434
6 2HB PHE 1 1HB PHE 1 -7.905 1.778 0.541
7 HD1 PHE 1 HD1 PHE 1 -8.898 -0.033 -0.955
8 HD2 PHE 1 HD2 PHE 1 -9.681 4.153 -1.517
9 HE1 PHE 1 HE1 PHE 1 -9.644 -0.484 -3.277
10 HE2 PHE 1 HE2 PHE 1 -10.427 3.702 -3.839
11 HZ PHE 1 HZ PHE 1 -10.409 1.384 -4.719
12 H LYS 2 H LYS 2 -10.677 -0.418 0.921
13 HA LYS 2 HA LYS 2 -9.178 -1.470 3.297
14 1HB LYS 2 2HB LYS 2 -10.944 -3.303 3.100
15 2HB LYS 2 1HB LYS 2 -11.557 -1.706 3.530
16 1HG LYS 2 2HG LYS 2 -12.422 -1.319 1.377
17 2HG LYS 2 1HG LYS 2 -11.401 -2.558 0.646
18 1HD LYS 2 2HD LYS 2 -13.390 -3.725 0.736
19 2HD LYS 2 1HD LYS 2 -12.749 -4.135 2.326
20 1HE LYS 2 2HE LYS 2 -14.066 -2.367 3.373
21 2HE LYS 2 1HE LYS 2 -14.634 -1.813 1.784
22 1HZ LYS 2 1HZ LYS 2 -15.390 -4.191 1.446
23 2HZ LYS 2 3HZ LYS 2 -15.168 -4.406 3.113
24 3HZ LYS 2 2HZ LYS 2 -16.294 -3.267 2.548
25 H CYS 3 H CYS 3 -7.328 -1.469 1.586
26 HA CYS 3 HA CYS 3 -7.322 -3.217 -0.667
27 1HB CYS 3 2HB CYS 3 -5.643 -1.415 0.418
28 2HB CYS 3 1HB CYS 3 -4.869 -2.892 0.988
29 H ARG 4 H ARG 4 -5.123 -4.890 -0.156
30 HA ARG 4 HA ARG 4 -5.954 -6.721 2.032
31 1HB ARG 4 2HB ARG 4 -7.327 -7.568 0.336
32 2HB ARG 4 1HB ARG 4 -6.166 -7.176 -0.929
33 1HG ARG 4 2HG ARG 4 -5.225 -9.119 1.099
34 2HG ARG 4 1HG ARG 4 -6.521 -9.687 0.046
35 1HD ARG 4 2HD ARG 4 -4.531 -8.244 -1.501
36 2HD ARG 4 1HD ARG 4 -3.784 -9.580 -0.602
37 HE ARG 4 HE ARG 4 -6.135 -9.902 -2.429
38 1HH1 ARG 4 2HH1 ARG 4 -4.183 -11.411 -0.114
39 2HH1 ARG 4 1HH1 ARG 4 -3.913 -12.849 -1.041
40 1HH2 ARG 4 1HH2 ARG 4 -5.461 -11.623 -3.891
41 2HH2 ARG 4 2HH2 ARG 4 -4.637 -12.970 -3.179
42 H ARG 5 H ARG 5 -3.651 -5.962 -0.570
43 HA ARG 5 HA ARG 5 -1.494 -7.138 1.123
44 1HB ARG 5 2HB ARG 5 -2.057 -8.923 -0.343
45 2HB ARG 5 1HB ARG 5 -2.240 -7.834 -1.719
46 1HG ARG 5 2HG ARG 5 0.137 -7.406 -1.784
47 2HG ARG 5 1HG ARG 5 0.385 -8.285 -0.274
48 1HD ARG 5 2HD ARG 5 0.596 -10.224 -1.422
49 2HD ARG 5 1HD ARG 5 -1.007 -9.988 -2.147
50 HE ARG 5 HE ARG 5 1.392 -8.577 -3.247
51 1HH1 ARG 5 2HH1 ARG 5 -1.818 -9.258 -3.794
52 2HH1 ARG 5 1HH1 ARG 5 -1.614 -9.859 -5.406
53 1HH2 ARG 5 1HH2 ARG 5 1.849 -9.913 -5.230
54 2HH2 ARG 5 2HH2 ARG 5 0.462 -10.230 -6.218
55 H TRP 6 H TRP 6 -0.719 -4.970 1.487
56 HA TRP 6 HA TRP 6 -0.194 -3.112 -0.636
57 1HB TRP 6 2HB TRP 6 0.789 -3.432 2.214
58 2HB TRP 6 1HB TRP 6 1.061 -1.991 1.232
59 HD1 TRP 6 HD1 TRP 6 -1.849 -4.073 2.618
60 HE1 TRP 6 HE1 TRP 6 -3.883 -2.508 2.862
61 HE3 TRP 6 HE3 TRP 6 0.103 0.113 0.610
62 HZ2 TRP 6 HZ2 TRP 6 -4.578 0.227 2.275
63 HZ3 TRP 6 HZ3 TRP 6 -1.231 2.216 0.446
64 HH2 TRP 6 HH2 TRP 6 -3.571 2.270 1.277
65 H GLN 7 H GLN 7 1.251 -3.831 -2.235
66 HA GLN 7 HA GLN 7 3.656 -5.373 -1.477
67 1HB GLN 7 2HB GLN 7 2.543 -6.114 -3.433
68 2HB GLN 7 1HB GLN 7 2.318 -4.470 -4.030
69 1HG GLN 7 2HG GLN 7 4.133 -5.749 -5.223
70 2HG GLN 7 1HG GLN 7 4.684 -4.242 -4.487
71 1HE2 GLN 7 2HE2 GLN 7 7.181 -5.987 -2.738
72 2HE2 GLN 7 1HE2 GLN 7 6.742 -4.625 -3.649
73 H TRP 8 H TRP 8 5.277 -4.098 -0.610
74 HA TRP 8 HA TRP 8 5.749 -1.381 -0.843
75 1HB TRP 8 2HB TRP 8 7.459 -3.812 -0.509
76 2HB TRP 8 1HB TRP 8 8.236 -2.233 -0.643
77 HD1 TRP 8 HD1 TRP 8 6.463 -4.414 1.738
78 HE1 TRP 8 HE1 TRP 8 6.020 -3.182 3.950
79 HE3 TRP 8 HE3 TRP 8 7.576 0.307 0.312
80 HZ2 TRP 8 HZ2 TRP 8 6.132 -0.513 4.984
81 HZ3 TRP 8 HZ3 TRP 8 7.408 2.201 1.908
82 HH2 TRP 8 HH2 TRP 8 6.683 1.793 4.246
83 H ARG 9 H ARG 9 5.556 -0.370 -2.859
84 HA ARG 9 HA ARG 9 6.724 -1.518 -5.284
85 1HB ARG 9 2HB ARG 9 5.250 0.970 -4.460
86 2HB ARG 9 1HB ARG 9 6.044 0.923 -6.034
87 1HG ARG 9 2HG ARG 9 4.788 -1.483 -6.064
88 2HG ARG 9 1HG ARG 9 3.659 -0.555 -5.077
89 1HD ARG 9 2HD ARG 9 3.173 -0.434 -7.556
90 2HD ARG 9 1HD ARG 9 3.475 1.154 -6.823
91 HE ARG 9 HE ARG 9 5.956 -0.010 -7.694
92 1HH1 ARG 9 2HH1 ARG 9 3.208 1.850 -8.578
93 2HH1 ARG 9 1HH1 ARG 9 3.856 2.338 -10.108
94 1HH2 ARG 9 1HH2 ARG 9 6.749 0.456 -9.783
95 2HH2 ARG 9 2HH2 ARG 9 5.861 1.549 -10.790
96 H MET 10 H MET 10 8.009 0.485 -6.565
97 HA MET 10 HA MET 10 10.527 0.698 -5.081
98 1HB MET 10 2HB MET 10 9.962 2.086 -7.679
99 2HB MET 10 1HB MET 10 11.418 1.246 -7.164
100 1HG MET 10 2HG MET 10 9.746 -0.848 -7.155
101 2HG MET 10 1HG MET 10 8.923 0.138 -8.364
102 1HE MET 10 2HE MET 10 10.265 -2.673 -8.394
103 2HE MET 10 1HE MET 10 11.690 -2.845 -9.415
104 3HE MET 10 3HE MET 10 11.862 -2.343 -7.727
105 H LYS 11 H LYS 11 11.536 2.679 -4.523
106 HA LYS 11 HA LYS 11 10.163 5.252 -4.836
107 1HB LYS 11 2HB LYS 11 9.314 3.609 -2.798
108 2HB LYS 11 1HB LYS 11 10.538 4.590 -1.994
109 1HG LYS 11 2HG LYS 11 8.305 5.649 -1.859
110 2HG LYS 11 1HG LYS 11 9.439 6.642 -2.776
111 1HD LYS 11 2HD LYS 11 8.471 6.045 -4.848
112 2HD LYS 11 1HD LYS 11 7.635 4.654 -4.154
113 1HE LYS 11 2HE LYS 11 6.592 6.683 -2.639
114 2HE LYS 11 1HE LYS 11 6.818 7.495 -4.202
115 1HZ LYS 11 2HZ LYS 11 5.917 5.171 -5.048
116 2HZ LYS 11 1HZ LYS 11 5.146 5.193 -3.533
117 3HZ LYS 11 3HZ LYS 11 4.868 6.445 -4.644
118 H LYS 12 H LYS 12 11.416 6.419 -2.540
119 HA LYS 12 HA LYS 12 13.954 7.149 -3.540
120 1HB LYS 12 2HB LYS 12 13.315 6.989 -0.594
121 2HB LYS 12 1HB LYS 12 14.258 8.210 -1.440
122 1HG LYS 12 2HG LYS 12 12.374 9.453 -1.487
123 2HG LYS 12 1HG LYS 12 11.787 8.322 -2.706
124 1HD LYS 12 2HD LYS 12 10.288 7.411 -1.283
125 2HD LYS 12 1HD LYS 12 11.483 7.282 0.008
126 1HE LYS 12 2HE LYS 12 10.984 9.393 0.867
127 2HE LYS 12 1HE LYS 12 10.387 9.995 -0.693
128 1HZ LYS 12 3HZ LYS 12 8.566 8.353 -0.522
129 2HZ LYS 12 2HZ LYS 12 9.090 7.964 1.046
130 3HZ LYS 12 1HZ LYS 12 8.512 9.525 0.703
131 H LEU 13 H LEU 13 15.881 6.724 -1.652
132 HA LEU 13 HA LEU 13 16.570 3.936 -2.119
133 1HB LEU 13 2HB LEU 13 17.875 6.480 -1.472
134 2HB LEU 13 1HB LEU 13 18.614 5.078 -0.688
135 HG LEU 13 HG LEU 13 17.941 4.341 -3.346
136 1HD1 LEU 13 1HD1 LEU 13 18.377 7.085 -3.250
137 2HD1 LEU 13 3HD1 LEU 13 19.954 6.437 -3.699
138 3HD1 LEU 13 2HD1 LEU 13 18.538 6.069 -4.683
139 1HD2 LEU 13 1HD2 LEU 13 19.752 3.401 -1.932
140 2HD2 LEU 13 3HD2 LEU 13 20.369 3.937 -3.496
141 3HD2 LEU 13 2HD2 LEU 13 20.630 4.926 -2.059
142 H GLY 14 H GLY 14 17.176 2.462 -0.444
143 1HA GLY 14 2HA GLY 14 16.737 1.357 1.578
144 2HA GLY 14 1HA GLY 14 17.194 2.896 2.313
145 H ALA 15 H ALA 15 14.478 2.893 0.147
146 HA ALA 15 HA ALA 15 12.518 2.521 2.331
147 1HB ALA 15 2HB ALA 15 13.681 4.937 2.152
148 2HB ALA 15 1HB ALA 15 12.403 5.162 0.957
149 3HB ALA 15 3HB ALA 15 11.992 4.744 2.621
150 HA PRO 16 HA PRO 16 10.650 1.378 -1.632
151 1HB PRO 16 2HB PRO 16 9.030 -0.560 -0.543
152 2HB PRO 16 1HB PRO 16 10.732 -0.838 -0.977
153 1HG PRO 16 2HG PRO 16 9.501 -0.399 1.680
154 2HG PRO 16 1HG PRO 16 10.897 -1.385 1.229
155 1HD PRO 16 2HD PRO 16 11.018 1.115 2.421
156 2HD PRO 16 1HD PRO 16 12.345 0.329 1.542
157 H SER 17 H SER 17 8.068 0.981 -1.981
158 HA SER 17 HA SER 17 6.571 2.942 -0.277
159 1HB SER 17 2HB SER 17 7.473 3.215 -2.971
160 2HB SER 17 1HB SER 17 5.719 3.058 -3.014
161 HG SER 17 HG SER 17 6.854 4.709 -1.067
162 H ILE 18 H ILE 18 5.306 1.289 0.724
163 HA ILE 18 HA ILE 18 4.041 -0.827 -0.841
164 HB ILE 18 HB ILE 18 4.772 -0.434 1.770
165 1HG1 ILE 18 2HG1 ILE 18 2.641 -2.354 0.799
166 2HG1 ILE 18 1HG1 ILE 18 4.373 -2.581 0.584
167 1HG2 ILE 18 2HG2 ILE 18 1.762 -0.152 1.641
168 2HG2 ILE 18 1HG2 ILE 18 2.675 -0.519 3.105
169 3HG2 ILE 18 3HG2 ILE 18 2.901 1.029 2.290
170 1HD1 ILE 18 2HD1 ILE 18 4.221 -2.067 3.273
171 2HD1 ILE 18 1HD1 ILE 18 2.716 -2.943 2.993
172 3HD1 ILE 18 3HD1 ILE 18 4.259 -3.684 2.569
173 H THR 19 H THR 19 2.309 -0.454 -2.124
174 HA THR 19 HA THR 19 0.405 1.737 -1.370
175 HB THR 19 HB THR 19 1.734 1.866 -3.524
176 HG1 THR 19 HG1 THR 19 -0.354 2.838 -3.229
177 1HG2 THR 19 3HG2 THR 19 0.068 -0.588 -4.121
178 2HG2 THR 19 2HG2 THR 19 0.886 0.359 -5.364
179 3HG2 THR 19 1HG2 THR 19 1.828 -0.466 -4.121
180 H CYS 20 H CYS 20 -1.642 0.855 -3.153
181 HA CYS 20 HA CYS 20 -2.643 -1.512 -1.630
182 1HB CYS 20 2HB CYS 20 -3.959 0.570 -1.623
183 2HB CYS 20 1HB CYS 20 -4.000 0.564 -3.386
184 H VAL 21 H VAL 21 -2.790 -3.477 -2.689
185 HA VAL 21 HA VAL 21 -2.682 -3.426 -5.677
186 HB VAL 21 HB VAL 21 -1.081 -5.130 -5.634
187 1HG1 VAL 21 2HG1 VAL 21 -0.718 -3.677 -2.997
188 2HG1 VAL 21 1HG1 VAL 21 0.511 -4.694 -3.746
189 3HG1 VAL 21 3HG1 VAL 21 -0.030 -3.226 -4.558
190 1HG2 VAL 21 2HG2 VAL 21 -2.403 -5.902 -3.044
191 2HG2 VAL 21 1HG2 VAL 21 -2.123 -6.882 -4.483
192 3HG2 VAL 21 3HG2 VAL 21 -0.780 -6.487 -3.410
193 H ARG 22 H ARG 22 -4.947 -3.545 -3.766
194 HA ARG 22 HA ARG 22 -6.445 -5.675 -5.109
195 1HB ARG 22 2HB ARG 22 -5.110 -6.091 -2.580
196 2HB ARG 22 1HB ARG 22 -6.855 -6.232 -2.367
197 1HG ARG 22 2HG ARG 22 -5.633 -7.569 -4.744
198 2HG ARG 22 1HG ARG 22 -5.386 -8.313 -3.164
199 1HD ARG 22 2HD ARG 22 -7.409 -9.306 -3.696
200 2HD ARG 22 1HD ARG 22 -8.042 -7.801 -2.998
201 HE ARG 22 HE ARG 22 -7.525 -7.124 -5.630
202 1HH1 ARG 22 1HH2 ARG 22 -8.085 -10.120 -6.031
203 2HH1 ARG 22 2HH2 ARG 22 -9.773 -10.082 -6.417
204 1HH2 ARG 22 2HH1 ARG 22 -10.234 -6.842 -5.269
205 2HH2 ARG 22 1HH1 ARG 22 -10.990 -8.225 -5.987
206 H ARG 23 H ARG 23 -7.921 -3.970 -5.674
207 HA ARG 23 HA ARG 23 -9.043 -2.230 -3.604
208 1HB ARG 23 2HB ARG 23 -9.666 -2.790 -6.522
209 2HB ARG 23 1HB ARG 23 -10.484 -1.546 -5.578
210 1HG ARG 23 2HG ARG 23 -8.249 -0.535 -5.070
211 2HG ARG 23 1HG ARG 23 -7.517 -1.709 -6.162
212 1HD ARG 23 2HD ARG 23 -9.807 -0.281 -7.347
213 2HD ARG 23 1HD ARG 23 -8.430 0.766 -6.950
214 HE ARG 23 HE ARG 23 -7.421 -1.616 -8.145
215 1HH1 ARG 23 1HH1 ARG 23 -9.222 0.257 -10.983
216 2HH1 ARG 23 2HH1 ARG 23 -10.004 -0.544 -9.661
217 1HH2 ARG 23 1HH2 ARG 23 -6.078 0.165 -9.523
218 2HH2 ARG 23 2HH2 ARG 23 -6.999 0.659 -10.904
219 H ALA 24 H ALA 24 -9.459 -4.752 -2.681
220 HA ALA 24 HA ALA 24 -11.788 -6.150 -3.502
221 1HB ALA 24 1HB ALA 24 -9.825 -6.323 -1.560
222 2HB ALA 24 3HB ALA 24 -11.280 -6.034 -0.607
223 3HB ALA 24 2HB ALA 24 -11.205 -7.414 -1.701
224 H PHE 25 HN PHE 25 -13.832 -5.306 -3.627
225 HA PHE 25 HA PHE 25 -14.838 -2.911 -2.738
226 1HB PHE 25 2HB PHE 25 -16.029 -5.665 -3.019
227 2HB PHE 25 1HB PHE 25 -17.039 -4.294 -2.563
228 HD1 PHE 25 HD1 PHE 25 -16.879 -2.168 -4.056
229 HD2 PHE 25 HD2 PHE 25 -15.548 -6.063 -5.282
230 HE1 PHE 25 HE1 PHE 25 -16.996 -1.460 -6.430
231 HE2 PHE 25 HE2 PHE 25 -15.665 -5.356 -7.657
232 HZ PHE 25 HZ PHE 25 -16.389 -3.054 -8.230
No H/Q in entry = 232
Start of MODEL 20
1 1H PHE 1 3H PHE 1 -12.722 2.517 2.017
2 2H PHE 1 2H PHE 1 -11.361 3.526 1.891
3 3H PHE 1 1H PHE 1 -12.644 3.683 0.789
4 HA PHE 1 HA PHE 1 -12.171 1.544 -0.178
5 1HB PHE 1 2HB PHE 1 -11.001 3.628 -0.895
6 2HB PHE 1 1HB PHE 1 -9.701 3.262 0.240
7 HD1 PHE 1 HD1 PHE 1 -8.660 0.844 0.025
8 HD2 PHE 1 HD2 PHE 1 -10.839 2.844 -3.090
9 HE1 PHE 1 HE1 PHE 1 -7.597 -0.629 -1.665
10 HE2 PHE 1 HE2 PHE 1 -9.777 1.371 -4.779
11 HZ PHE 1 HZ PHE 1 -8.156 -0.365 -4.066
12 H LYS 2 H LYS 2 -11.010 -0.442 -0.075
13 HA LYS 2 HA LYS 2 -9.227 -0.858 2.287
14 1HB LYS 2 2HB LYS 2 -11.853 -1.496 2.357
15 2HB LYS 2 1HB LYS 2 -11.220 -2.969 1.621
16 1HG LYS 2 2HG LYS 2 -9.472 -2.235 3.758
17 2HG LYS 2 1HG LYS 2 -11.126 -2.196 4.370
18 1HD LYS 2 2HD LYS 2 -11.228 -4.488 2.935
19 2HD LYS 2 1HD LYS 2 -9.525 -4.499 3.396
20 1HE LYS 2 2HE LYS 2 -10.230 -4.123 5.786
21 2HE LYS 2 1HE LYS 2 -11.913 -4.338 5.265
22 1HZ LYS 2 1HZ LYS 2 -11.025 -6.437 4.127
23 2HZ LYS 2 3HZ LYS 2 -9.690 -6.281 5.161
24 3HZ LYS 2 2HZ LYS 2 -11.246 -6.483 5.811
25 H CYS 3 H CYS 3 -7.346 -1.570 1.350
26 HA CYS 3 HA CYS 3 -7.344 -2.987 -1.224
27 1HB CYS 3 2HB CYS 3 -5.669 -1.265 -0.012
28 2HB CYS 3 1HB CYS 3 -4.930 -2.778 0.504
29 H ARG 4 H ARG 4 -5.168 -4.710 -0.727
30 HA ARG 4 HA ARG 4 -5.999 -6.607 1.381
31 1HB ARG 4 2HB ARG 4 -7.533 -7.322 -0.231
32 2HB ARG 4 1HB ARG 4 -6.453 -6.936 -1.568
33 1HG ARG 4 2HG ARG 4 -5.687 -9.083 0.393
34 2HG ARG 4 1HG ARG 4 -6.823 -9.446 -0.908
35 1HD ARG 4 2HD ARG 4 -4.785 -8.037 -2.198
36 2HD ARG 4 1HD ARG 4 -3.926 -9.086 -1.053
37 HE ARG 4 HE ARG 4 -6.117 -10.342 -2.597
38 1HH1 ARG 4 1HH2 ARG 4 -4.702 -12.462 -1.804
39 2HH1 ARG 4 2HH2 ARG 4 -3.344 -12.654 -2.862
40 1HH2 ARG 4 2HH1 ARG 4 -3.518 -9.423 -4.107
41 2HH2 ARG 4 1HH1 ARG 4 -2.673 -10.934 -4.165
42 H ARG 5 H ARG 5 -3.805 -5.828 -1.307
43 HA ARG 5 HA ARG 5 -1.691 -7.392 0.127
44 1HB ARG 5 2HB ARG 5 -2.936 -7.873 -2.425
45 2HB ARG 5 1HB ARG 5 -1.220 -7.539 -2.658
46 1HG ARG 5 2HG ARG 5 -1.560 -9.248 -0.363
47 2HG ARG 5 1HG ARG 5 -2.391 -9.953 -1.750
48 1HD ARG 5 2HD ARG 5 -0.058 -9.133 -2.923
49 2HD ARG 5 1HD ARG 5 0.508 -9.574 -1.300
50 HE ARG 5 HE ARG 5 -1.352 -11.527 -2.400
51 1HH1 ARG 5 2HH1 ARG 5 1.239 -10.811 -4.120
52 2HH1 ARG 5 1HH1 ARG 5 2.214 -12.182 -3.703
53 1HH2 ARG 5 1HH2 ARG 5 0.189 -13.150 -1.059
54 2HH2 ARG 5 2HH2 ARG 5 1.619 -13.506 -1.970
55 H TRP 6 H TRP 6 -1.109 -5.108 0.856
56 HA TRP 6 HA TRP 6 -0.242 -3.117 -0.996
57 1HB TRP 6 2HB TRP 6 0.450 -3.759 1.887
58 2HB TRP 6 1HB TRP 6 0.881 -2.250 1.083
59 HD1 TRP 6 HD1 TRP 6 -2.205 -4.277 2.062
60 HE1 TRP 6 HE1 TRP 6 -4.198 -2.655 2.248
61 HE3 TRP 6 HE3 TRP 6 0.035 -0.046 0.479
62 HZ2 TRP 6 HZ2 TRP 6 -4.754 0.132 1.788
63 HZ3 TRP 6 HZ3 TRP 6 -1.213 2.107 0.351
64 HH2 TRP 6 HH2 TRP 6 -3.609 2.195 1.005
65 H GLN 7 H GLN 7 1.207 -4.031 -2.558
66 HA GLN 7 HA GLN 7 3.505 -5.645 -1.685
67 1HB GLN 7 2HB GLN 7 2.540 -6.261 -3.747
68 2HB GLN 7 1HB GLN 7 2.379 -4.588 -4.276
69 1HG GLN 7 2HG GLN 7 4.724 -4.383 -4.673
70 2HG GLN 7 1HG GLN 7 5.074 -5.877 -3.802
71 1HE2 GLN 7 2HE2 GLN 7 5.207 -7.062 -7.223
72 2HE2 GLN 7 1HE2 GLN 7 6.178 -6.328 -6.041
73 H TRP 8 H TRP 8 5.028 -4.421 -0.561
74 HA TRP 8 HA TRP 8 5.671 -1.741 -0.692
75 1HB TRP 8 2HB TRP 8 7.190 -4.268 -0.223
76 2HB TRP 8 1HB TRP 8 8.090 -2.751 -0.293
77 HD1 TRP 8 HD1 TRP 8 6.017 -4.790 1.950
78 HE1 TRP 8 HE1 TRP 8 5.470 -3.509 4.111
79 HE3 TRP 8 HE3 TRP 8 7.481 -0.149 0.574
80 HZ2 TRP 8 HZ2 TRP 8 5.642 -0.837 5.129
81 HZ3 TRP 8 HZ3 TRP 8 7.292 1.770 2.139
82 HH2 TRP 8 HH2 TRP 8 6.370 1.429 4.417
83 H ARG 9 H ARG 9 5.786 -0.655 -2.669
84 HA ARG 9 HA ARG 9 7.102 -1.824 -5.007
85 1HB ARG 9 2HB ARG 9 5.901 0.856 -4.272
86 2HB ARG 9 1HB ARG 9 6.643 0.567 -5.845
87 1HG ARG 9 2HG ARG 9 5.095 -1.508 -5.967
88 2HG ARG 9 1HG ARG 9 4.200 -0.741 -4.655
89 1HD ARG 9 2HD ARG 9 3.549 1.080 -5.987
90 2HD ARG 9 1HD ARG 9 4.877 0.832 -7.139
91 HE ARG 9 HE ARG 9 3.597 -1.471 -7.515
92 1HH1 ARG 9 2HH1 ARG 9 1.120 -1.690 -6.968
93 2HH1 ARG 9 1HH1 ARG 9 0.170 -0.525 -7.827
94 1HH2 ARG 9 1HH2 ARG 9 2.878 1.489 -8.626
95 2HH2 ARG 9 2HH2 ARG 9 1.164 1.275 -8.765
96 H MET 10 H MET 10 8.754 -0.070 -6.091
97 HA MET 10 HA MET 10 10.855 0.362 -4.016
98 1HB MET 10 2HB MET 10 11.755 0.627 -6.755
99 2HB MET 10 1HB MET 10 12.282 -0.504 -5.524
100 1HG MET 10 2HG MET 10 9.837 -0.879 -7.277
101 2HG MET 10 1HG MET 10 11.391 -1.667 -7.523
102 1HE MET 10 3HE MET 10 8.587 -2.578 -7.328
103 2HE MET 10 2HE MET 10 9.313 -4.168 -7.105
104 3HE MET 10 1HE MET 10 8.118 -3.582 -5.949
105 H LYS 11 H LYS 11 11.596 2.401 -3.652
106 HA LYS 11 HA LYS 11 10.795 4.582 -5.531
107 1HB LYS 11 2HB LYS 11 10.468 5.873 -3.313
108 2HB LYS 11 1HB LYS 11 9.224 4.712 -3.761
109 1HG LYS 11 2HG LYS 11 9.727 3.330 -2.023
110 2HG LYS 11 1HG LYS 11 11.464 3.586 -2.200
111 1HD LYS 11 2HD LYS 11 11.428 5.025 -0.473
112 2HD LYS 11 1HD LYS 11 10.304 6.055 -1.360
113 1HE LYS 11 2HE LYS 11 8.652 4.014 -0.505
114 2HE LYS 11 1HE LYS 11 9.766 4.206 0.864
115 1HZ LYS 11 2HZ LYS 11 9.434 6.693 0.481
116 2HZ LYS 11 1HZ LYS 11 8.065 6.254 -0.424
117 3HZ LYS 11 3HZ LYS 11 8.162 5.843 1.220
118 H LYS 12 H LYS 12 11.991 6.680 -4.228
119 HA LYS 12 HA LYS 12 14.757 6.424 -4.869
120 1HB LYS 12 2HB LYS 12 13.589 8.341 -2.846
121 2HB LYS 12 1HB LYS 12 14.919 8.623 -3.966
122 1HG LYS 12 2HG LYS 12 13.059 8.080 -5.783
123 2HG LYS 12 1HG LYS 12 11.974 8.604 -4.494
124 1HD LYS 12 2HD LYS 12 14.257 10.390 -4.743
125 2HD LYS 12 1HD LYS 12 13.370 10.265 -6.262
126 1HE LYS 12 2HE LYS 12 11.574 11.390 -5.427
127 2HE LYS 12 1HE LYS 12 11.630 10.505 -3.890
128 1HZ LYS 12 2HZ LYS 12 13.602 12.581 -4.678
129 2HZ LYS 12 1HZ LYS 12 12.252 12.893 -3.694
130 3HZ LYS 12 3HZ LYS 12 13.458 11.825 -3.164
131 H LEU 13 H LEU 13 16.168 7.396 -2.710
132 HA LEU 13 HA LEU 13 16.813 5.066 -1.228
133 1HB LEU 13 2HB LEU 13 18.328 6.553 -0.086
134 2HB LEU 13 1HB LEU 13 18.210 7.122 -1.751
135 HG LEU 13 HG LEU 13 16.105 8.327 -0.212
136 1HD1 LEU 13 3HD1 LEU 13 17.922 7.759 1.599
137 2HD1 LEU 13 2HD1 LEU 13 18.807 9.095 0.861
138 3HD1 LEU 13 1HD1 LEU 13 17.212 9.373 1.562
139 1HD2 LEU 13 1HD2 LEU 13 17.504 9.027 -2.339
140 2HD2 LEU 13 3HD2 LEU 13 16.882 10.267 -1.250
141 3HD2 LEU 13 2HD2 LEU 13 18.571 9.768 -1.145
142 H GLY 14 H GLY 14 16.716 4.975 1.238
143 1HA GLY 14 2HA GLY 14 15.588 5.754 3.290
144 2HA GLY 14 1HA GLY 14 14.220 6.232 2.286
145 H ALA 15 H ALA 15 13.218 4.355 1.033
146 HA ALA 15 HA ALA 15 13.539 1.643 1.982
147 1HB ALA 15 3HB ALA 15 12.371 3.375 3.792
148 2HB ALA 15 2HB ALA 15 10.971 2.629 3.021
149 3HB ALA 15 1HB ALA 15 12.186 1.621 3.808
150 HA PRO 16 HA PRO 16 10.659 0.765 -1.228
151 1HB PRO 16 2HB PRO 16 8.915 -1.081 -0.167
152 2HB PRO 16 1HB PRO 16 10.610 -1.450 -0.560
153 1HG PRO 16 2HG PRO 16 9.357 -0.869 2.068
154 2HG PRO 16 1HG PRO 16 10.651 -2.003 1.659
155 1HD PRO 16 2HD PRO 16 11.055 0.444 2.829
156 2HD PRO 16 1HD PRO 16 12.275 -0.418 1.868
157 H SER 17 H SER 17 8.129 0.583 -1.708
158 HA SER 17 HA SER 17 6.638 2.546 -0.001
159 1HB SER 17 2HB SER 17 7.748 2.967 -2.554
160 2HB SER 17 1HB SER 17 6.026 2.731 -2.838
161 HG SER 17 HG SER 17 6.242 4.855 -2.356
162 H ILE 18 H ILE 18 5.235 0.940 0.859
163 HA ILE 18 HA ILE 18 4.002 -1.094 -0.818
164 HB ILE 18 HB ILE 18 4.516 -0.711 1.856
165 1HG1 ILE 18 2HG1 ILE 18 2.471 -2.594 0.654
166 2HG1 ILE 18 1HG1 ILE 18 4.213 -2.854 0.656
167 1HG2 ILE 18 1HG2 ILE 18 2.541 0.804 2.053
168 2HG2 ILE 18 3HG2 ILE 18 1.511 -0.528 1.529
169 3HG2 ILE 18 2HG2 ILE 18 2.400 -0.646 3.048
170 1HD1 ILE 18 2HD1 ILE 18 3.749 -2.336 3.302
171 2HD1 ILE 18 1HD1 ILE 18 2.260 -3.166 2.847
172 3HD1 ILE 18 3HD1 ILE 18 3.819 -3.956 2.607
173 H THR 19 H THR 19 2.465 -0.584 -2.288
174 HA THR 19 HA THR 19 0.620 1.703 -1.728
175 HB THR 19 HB THR 19 1.990 1.802 -3.772
176 HG1 THR 19 HG1 THR 19 0.343 2.467 -4.908
177 1HG2 THR 19 3HG2 THR 19 1.455 -0.988 -3.816
178 2HG2 THR 19 2HG2 THR 19 0.763 -0.302 -5.286
179 3HG2 THR 19 1HG2 THR 19 2.472 -0.065 -4.922
180 H CYS 20 H CYS 20 -1.387 0.878 -3.576
181 HA CYS 20 HA CYS 20 -2.564 -1.425 -2.066
182 1HB CYS 20 2HB CYS 20 -3.731 0.738 -1.949
183 2HB CYS 20 1HB CYS 20 -3.790 0.817 -3.710
184 H VAL 21 H VAL 21 -2.531 -3.341 -3.206
185 HA VAL 21 HA VAL 21 -2.624 -3.177 -6.189
186 HB VAL 21 HB VAL 21 -1.181 -5.034 -6.240
187 1HG1 VAL 21 2HG1 VAL 21 -0.569 -3.597 -3.643
188 2HG1 VAL 21 1HG1 VAL 21 0.544 -4.690 -4.461
189 3HG1 VAL 21 3HG1 VAL 21 0.048 -3.190 -5.244
190 1HG2 VAL 21 2HG2 VAL 21 -2.258 -5.658 -3.481
191 2HG2 VAL 21 1HG2 VAL 21 -2.437 -6.613 -4.952
192 3HG2 VAL 21 3HG2 VAL 21 -0.863 -6.489 -4.166
193 H ARG 22 H ARG 22 -4.866 -3.163 -4.293
194 HA ARG 22 HA ARG 22 -6.520 -5.192 -5.614
195 1HB ARG 22 2HB ARG 22 -5.196 -5.689 -3.107
196 2HB ARG 22 1HB ARG 22 -6.939 -5.647 -2.838
197 1HG ARG 22 2HG ARG 22 -5.528 -7.307 -4.949
198 2HG ARG 22 1HG ARG 22 -6.185 -7.923 -3.433
199 1HD ARG 22 2HD ARG 22 -8.425 -7.507 -4.098
200 2HD ARG 22 1HD ARG 22 -7.919 -6.424 -5.410
201 HE ARG 22 HE ARG 22 -6.792 -9.094 -5.681
202 1HH1 ARG 22 1HH2 ARG 22 -8.475 -6.760 -7.289
203 2HH1 ARG 22 2HH2 ARG 22 -9.534 -7.825 -8.149
204 1HH2 ARG 22 2HH1 ARG 22 -8.619 -10.632 -6.332
205 2HH2 ARG 22 1HH1 ARG 22 -9.617 -10.017 -7.607
206 H ARG 23 H ARG 23 -8.501 -4.207 -5.885
207 HA ARG 23 HA ARG 23 -9.191 -1.941 -4.072
208 1HB ARG 23 2HB ARG 23 -10.206 -2.781 -6.810
209 2HB ARG 23 1HB ARG 23 -10.624 -1.289 -5.974
210 1HG ARG 23 2HG ARG 23 -8.174 -0.712 -5.924
211 2HG ARG 23 1HG ARG 23 -7.882 -2.117 -6.948
212 1HD ARG 23 2HD ARG 23 -9.394 -1.175 -8.674
213 2HD ARG 23 1HD ARG 23 -9.655 0.251 -7.651
214 HE ARG 23 HE ARG 23 -7.196 0.685 -7.816
215 1HH1 ARG 23 1HH2 ARG 23 -8.983 -0.383 -10.437
216 2HH1 ARG 23 2HH2 ARG 23 -7.624 -0.754 -11.444
217 1HH2 ARG 23 2HH1 ARG 23 -5.290 -0.287 -8.922
218 2HH2 ARG 23 1HH1 ARG 23 -5.533 -0.700 -10.587
219 H ALA 24 H ALA 24 -9.670 -4.284 -2.799
220 HA ALA 24 HA ALA 24 -12.234 -5.500 -3.381
221 1HB ALA 24 1HB ALA 24 -10.001 -5.900 -1.717
222 2HB ALA 24 3HB ALA 24 -11.357 -5.662 -0.616
223 3HB ALA 24 2HB ALA 24 -11.423 -6.936 -1.832
224 H PHE 25 HN PHE 25 -14.249 -4.776 -2.788
225 HA PHE 25 HA PHE 25 -14.939 -2.247 -1.973
226 1HB PHE 25 2HB PHE 25 -16.113 -4.972 -1.667
227 2HB PHE 25 1HB PHE 25 -16.894 -3.658 -0.788
228 HD1 PHE 25 HD1 PHE 25 -15.975 -4.934 -4.131
229 HD2 PHE 25 HD2 PHE 25 -18.028 -1.856 -1.949
230 HE1 PHE 25 HE1 PHE 25 -17.068 -4.179 -6.225
231 HE2 PHE 25 HE2 PHE 25 -19.122 -1.101 -4.043
232 HZ PHE 25 HZ PHE 25 -18.642 -2.263 -6.181
No H/Q in entry = 232