NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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9620 |
1og7   |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 H1 LYS 1 3H LYS 1 -13.849 3.007 5.148
2 H2 LYS 1 2H LYS 1 -12.473 3.633 4.506
3 H3 LYS 1 1H LYS 1 -13.181 4.337 5.810
4 HA LYS 1 HA LYS 1 -15.112 4.918 4.522
5 1HZ LYS 1 1HZ LYS 1 -18.150 8.412 2.968
6 2HZ LYS 1 3HZ LYS 1 -18.239 8.636 1.360
7 3HZ LYS 1 2HZ LYS 1 -18.151 7.123 1.955
8 QB LYS 1 QB LYS 1 -12.497 5.964 3.403
9 QD LYS 1 QD LYS 1 -15.823 7.786 4.063
10 QG LYS 1 QG LYS 1 -14.207 6.550 1.801
11 QE LYS 1 QE LYS 1 -15.990 7.729 1.052
12 QZ LYS 1 QZ LYS 1 -18.180 8.057 2.095
13 H TYR 2 H TYR 2 -16.362 3.575 3.378
14 HA TYR 2 HA TYR 2 -15.755 2.435 0.788
15 HD1 TYR 2 1HD TYR 2 -17.738 -0.434 1.569
16 HD2 TYR 2 2HD TYR 2 -19.210 3.245 -0.156
17 HE1 TYR 2 1HE TYR 2 -19.004 -1.725 -0.065
18 HE2 TYR 2 2HE TYR 2 -20.487 1.955 -1.809
19 HH TYR 2 HH TYR 2 -21.103 -0.143 -2.550
20 QB TYR 2 QB TYR 2 -18.294 2.921 2.358
21 QD TYR 2 QD TYR 2 -18.474 1.406 0.707
22 QE TYR 2 QE TYR 2 -19.746 0.115 -0.937
23 QR TYR 2 QR TYR 2 -19.110 0.760 -0.115
24 H TYR 3 H TYR 3 -15.548 3.680 -0.937
25 HA TYR 3 HA TYR 3 -16.876 6.352 -1.118
26 HD1 TYR 3 1HD TYR 3 -12.873 5.286 -0.893
27 HD2 TYR 3 2HD TYR 3 -15.481 8.601 -1.826
28 HE1 TYR 3 1HE TYR 3 -11.447 6.774 0.436
29 HE2 TYR 3 2HE TYR 3 -14.038 10.108 -0.475
30 HH TYR 3 HH TYR 3 -11.098 8.925 1.159
31 QB TYR 3 QB TYR 3 -15.406 6.495 -3.208
32 QD TYR 3 QD TYR 3 -14.177 6.944 -1.359
33 QE TYR 3 QE TYR 3 -12.743 8.441 -0.019
34 QR TYR 3 QR TYR 3 -13.460 7.692 -0.689
35 H GLY 4 H GLY 4 -16.987 3.186 -2.616
36 1HA GLY 4 3HA GLY 4 -18.932 4.109 -4.703
37 2HA GLY 4 2HA GLY 4 -19.262 2.707 -3.685
38 QA GLY 4 QA GLY 4 -19.262 2.707 -3.685
39 H ASN 5 H ASN 5 -19.432 2.095 -6.137
40 HA ASN 5 HA ASN 5 -18.964 0.353 -7.435
41 1HD2 ASN 5 1HD2 ASN 5 -18.815 0.652 -10.133
42 2HD2 ASN 5 2HD2 ASN 5 -17.793 -0.570 -10.889
43 QB ASN 5 QB ASN 5 -16.320 1.765 -7.870
44 QD ASN 5 QD2 ASN 5 -18.304 0.041 -10.511
45 H GLY 6 H GLY 6 -15.569 0.409 -6.476
46 1HA GLY 6 3HA GLY 6 -14.691 -1.985 -6.111
47 2HA GLY 6 2HA GLY 6 -15.968 -2.109 -4.905
48 QA GLY 6 QA GLY 6 -15.968 -2.109 -4.905
49 H VAL 7 H VAL 7 -15.009 1.096 -4.571
50 HA VAL 7 HA VAL 7 -12.418 0.699 -3.331
51 HB VAL 7 HB VAL 7 -14.139 3.179 -3.727
52 1HG1 VAL 7 3HG1 VAL 7 -11.195 2.745 -2.999
53 2HG1 VAL 7 1HG1 VAL 7 -11.970 4.319 -3.330
54 3HG1 VAL 7 2HG1 VAL 7 -12.484 3.368 -1.927
55 1HG2 VAL 7 1HG2 VAL 7 -11.823 2.087 -5.359
56 2HG2 VAL 7 2HG2 VAL 7 -13.498 2.265 -5.908
57 3HG2 VAL 7 3HG2 VAL 7 -12.534 3.705 -5.538
58 MG1 VAL 7 QG1 VAL 7 -11.883 3.477 -2.752
59 MG2 VAL 7 QG2 VAL 7 -12.619 2.686 -5.601
60 QG VAL 7 QQG VAL 7 -12.251 3.082 -4.176
61 H HIS 8 H HIS 8 -12.445 -0.161 -1.317
62 HA HIS 8 HA HIS 8 -13.935 1.290 0.826
63 HD1 HIS 8 1HD HIS 8 -16.080 0.072 -0.585
64 HD2 HIS 8 2HD HIS 8 -13.954 -3.534 -0.167
65 HE1 HIS 8 1HE HIS 8 -17.106 -1.577 -2.273
66 HE2 HIS 8 2HE HIS 8 -15.868 -3.807 -1.947
67 QB HIS 8 QB HIS 8 -14.320 -0.745 1.942
68 H CYS 9 H CYS 9 -12.116 2.764 0.718
69 HA CYS 9 HA CYS 9 -9.389 2.081 1.167
70 QB CYS 9 QB CYS 9 -9.157 4.511 1.676
71 H GLY 10 H GLY 10 -8.164 1.795 2.939
72 1HA GLY 10 3HA GLY 10 -8.048 1.179 5.323
73 2HA GLY 10 2HA GLY 10 -9.201 2.459 5.676
74 QA GLY 10 QA GLY 10 -9.201 2.459 5.676
75 H LYS 11 H LYS 11 -6.049 1.960 4.135
76 HA LYS 11 HA LYS 11 -5.212 4.742 4.643
77 1HZ LYS 11 3HZ LYS 11 -0.770 1.135 9.029
78 2HZ LYS 11 2HZ LYS 11 -2.110 0.358 9.536
79 3HZ LYS 11 1HZ LYS 11 -0.901 -0.497 8.885
80 QB LYS 11 QB LYS 11 -4.574 3.671 6.742
81 QD LYS 11 QD LYS 11 -3.435 2.014 8.119
82 QG LYS 11 QG LYS 11 -2.645 1.888 5.192
83 QE LYS 11 QE LYS 11 -1.240 0.483 6.698
84 QZ LYS 11 QZ LYS 11 -1.261 0.332 9.150
85 H HIS 12 H HIS 12 -4.257 1.651 3.305
86 HA HIS 12 HA HIS 12 -3.118 3.010 0.890
87 HD1 HIS 12 1HD HIS 12 0.451 0.942 3.500
88 HD2 HIS 12 2HD HIS 12 -3.241 -0.783 2.411
89 HE1 HIS 12 1HE HIS 12 0.333 -1.328 4.700
90 HE2 HIS 12 2HE HIS 12 -1.910 -2.358 4.053
91 QB HIS 12 QB HIS 12 -1.240 2.560 2.244
92 H SER 13 H SER 13 -5.628 1.682 1.479
93 HA SER 13 HA SER 13 -5.522 -0.947 0.093
94 HG SER 13 HG SER 13 -6.820 -0.274 3.839
95 QB SER 13 QB SER 13 -5.408 -1.335 2.386
96 H CYS 14 H CYS 14 -6.794 1.836 -0.639
97 HA CYS 14 HA CYS 14 -9.603 1.800 -1.041
98 QB CYS 14 QB CYS 14 -9.000 3.142 -3.059
99 H THR 15 H THR 15 -10.435 -0.205 -1.398
100 HA THR 15 HA THR 15 -8.979 -2.133 -2.418
101 HB THR 15 HB THR 15 -11.940 -2.584 -2.465
102 HG1 THR 15 1HG THR 15 -10.206 -2.291 -0.251
103 1HG2 THR 15 3HG2 THR 15 -10.386 -4.499 -3.000
104 2HG2 THR 15 2HG2 THR 15 -9.573 -4.267 -1.436
105 3HG2 THR 15 1HG2 THR 15 -11.260 -4.751 -1.485
106 MG THR 15 QG2 THR 15 -10.407 -4.506 -1.973
107 H VAL 16 H VAL 16 -11.713 -0.968 -4.513
108 HA VAL 16 HA VAL 16 -12.125 -1.265 -6.735
109 HB VAL 16 HB VAL 16 -9.290 -2.251 -7.227
110 1HG1 VAL 16 3HG1 VAL 16 -10.884 -2.604 -9.075
111 2HG1 VAL 16 1HG1 VAL 16 -11.221 -0.849 -9.082
112 3HG1 VAL 16 2HG1 VAL 16 -9.582 -1.454 -9.436
113 1HG2 VAL 16 1HG2 VAL 16 -10.267 0.630 -7.194
114 2HG2 VAL 16 2HG2 VAL 16 -9.031 -0.120 -6.132
115 3HG2 VAL 16 3HG2 VAL 16 -8.699 0.036 -7.831
116 MG1 VAL 16 QG1 VAL 16 -10.563 -1.636 -9.197
117 MG2 VAL 16 QG2 VAL 16 -9.333 0.182 -7.052
118 QG VAL 16 QQG VAL 16 -9.948 -0.727 -8.125
119 H ASP 17 H ASP 17 -9.889 -3.717 -6.052
120 HA ASP 17 HA ASP 17 -11.297 -5.963 -5.427
121 QB ASP 17 QB ASP 17 -12.034 -5.994 -7.879
122 H TRP 18 H TRP 18 -8.464 -4.227 -6.084
123 HA TRP 18 HA TRP 18 -6.627 -6.400 -5.395
124 HD1 TRP 18 HD TRP 18 -4.822 -5.100 -9.635
125 HE1 TRP 18 1HE TRP 18 -3.909 -2.729 -10.133
126 HE3 TRP 18 3HE TRP 18 -7.192 -2.535 -5.948
127 HZ2 TRP 18 2HZ TRP 18 -3.818 -0.189 -8.737
128 HZ3 TRP 18 3HZ TRP 18 -6.698 -0.285 -5.479
129 HH2 TRP 18 HH TRP 18 -4.956 0.995 -6.807
130 QB TRP 18 QB TRP 18 -6.885 -5.883 -7.843
131 H GLY 19 H GLY 19 -7.727 -3.872 -3.911
132 1HA GLY 19 3HA GLY 19 -6.948 -2.457 -2.260
133 2HA GLY 19 2HA GLY 19 -5.567 -2.172 -3.309
134 QA GLY 19 QA GLY 19 -5.567 -2.172 -3.309
135 H THR 20 H THR 20 -6.044 -5.448 -2.210
136 HA THR 20 HA THR 20 -4.114 -5.483 -0.055
137 HB THR 20 HB THR 20 -4.068 -7.940 -0.598
138 HG1 THR 20 1HG THR 20 -5.741 -8.588 -2.029
139 1HG2 THR 20 3HG2 THR 20 -5.656 -7.033 1.063
140 2HG2 THR 20 2HG2 THR 20 -6.843 -6.720 -0.222
141 3HG2 THR 20 1HG2 THR 20 -6.374 -8.387 0.177
142 MG THR 20 QG2 THR 20 -6.291 -7.380 0.340
143 H ALA 21 H ALA 21 -3.900 -5.762 -3.578
144 HA ALA 21 HA ALA 21 -1.125 -6.564 -3.714
145 1HB ALA 21 3HB ALA 21 -2.773 -6.819 -5.624
146 2HB ALA 21 1HB ALA 21 -2.667 -5.050 -5.858
147 3HB ALA 21 2HB ALA 21 -1.236 -6.056 -6.055
148 MB ALA 21 QB ALA 21 -2.226 -5.975 -5.845
149 H ILE 22 H ILE 22 -2.674 -3.377 -4.344
150 HA ILE 22 HA ILE 22 -0.138 -1.931 -4.377
151 HB ILE 22 HB ILE 22 -1.446 0.144 -3.973
152 1HG2 ILE 22 1HG2 ILE 22 -0.857 -0.750 -6.237
153 2HG2 ILE 22 2HG2 ILE 22 -2.371 -1.636 -6.284
154 3HG2 ILE 22 3HG2 ILE 22 -2.379 0.141 -6.256
155 1HD1 ILE 22 1HD1 ILE 22 -4.028 0.997 -4.840
156 2HD1 ILE 22 2HD1 ILE 22 -5.107 0.403 -3.550
157 3HD1 ILE 22 3HD1 ILE 22 -3.584 1.240 -3.156
158 MG ILE 22 QG2 ILE 22 -1.869 -0.748 -6.259
159 MD ILE 22 QD1 ILE 22 -4.240 0.880 -3.848
160 QG ILE 22 QG1 ILE 22 -3.394 -1.144 -2.785
161 H GLY 23 H GLY 23 -2.399 -2.555 -1.739
162 1HA GLY 23 3HA GLY 23 -2.018 -2.664 0.568
163 2HA GLY 23 2HA GLY 23 -1.069 -1.203 0.341
164 QA GLY 23 QA GLY 23 -1.069 -1.203 0.341
165 H ASN 24 H ASN 24 -0.461 -4.571 -0.778
166 HA ASN 24 HA ASN 24 1.624 -5.162 1.091
167 1HD2 ASN 24 1HD2 ASN 24 2.648 -7.453 -2.482
168 2HD2 ASN 24 2HD2 ASN 24 3.765 -8.395 -1.527
169 QB ASN 24 QB ASN 24 0.892 -6.343 -1.627
170 QD ASN 24 QD2 ASN 24 3.206 -7.924 -2.004
171 H ILE 25 H ILE 25 1.744 -4.060 -2.293
172 HA ILE 25 HA ILE 25 4.554 -3.888 -2.677
173 HB ILE 25 HB ILE 25 2.220 -2.380 -3.889
174 1HG2 ILE 25 1HG2 ILE 25 5.179 -2.274 -4.701
175 2HG2 ILE 25 2HG2 ILE 25 3.844 -1.710 -5.707
176 3HG2 ILE 25 3HG2 ILE 25 4.199 -0.913 -4.170
177 1HD1 ILE 25 2HD1 ILE 25 1.227 -3.517 -5.772
178 2HD1 ILE 25 3HD1 ILE 25 2.668 -3.314 -6.795
179 3HD1 ILE 25 1HD1 ILE 25 1.999 -4.931 -6.515
180 MG ILE 25 QG2 ILE 25 4.407 -1.632 -4.859
181 MD ILE 25 QD1 ILE 25 1.964 -3.921 -6.360
182 QG ILE 25 QG1 ILE 25 2.595 -4.929 -4.244
183 H GLY 26 H GLY 26 2.260 -1.364 -1.540
184 1HA GLY 26 3HA GLY 26 2.471 0.350 -0.073
185 2HA GLY 26 2HA GLY 26 4.017 0.703 -0.846
186 QA GLY 26 QA GLY 26 4.017 0.703 -0.846
187 H ASN 27 H ASN 27 2.902 -2.012 1.254
188 HA ASN 27 HA ASN 27 4.579 -1.091 3.435
189 1HD2 ASN 27 1HD2 ASN 27 5.523 -2.578 5.199
190 2HD2 ASN 27 2HD2 ASN 27 4.731 -2.162 6.724
191 QB ASN 27 QB ASN 27 3.622 -3.904 3.494
192 QD ASN 27 QD2 ASN 27 5.127 -2.370 5.962
193 H ASN 28 H ASN 28 5.302 -3.230 0.720
194 HA ASN 28 HA ASN 28 7.738 -4.357 1.830
195 1HD2 ASN 28 1HD2 ASN 28 4.998 -5.761 0.439
196 2HD2 ASN 28 2HD2 ASN 28 5.576 -7.406 0.741
197 QB ASN 28 QB ASN 28 8.033 -4.525 -0.838
198 QD ASN 28 QD2 ASN 28 5.287 -6.583 0.590
199 H ALA 29 H ALA 29 7.001 -1.455 -0.182
200 HA ALA 29 HA ALA 29 9.687 -0.433 -0.181
201 1HB ALA 29 3HB ALA 29 7.083 1.136 -0.091
202 2HB ALA 29 1HB ALA 29 8.668 1.772 -0.535
203 3HB ALA 29 2HB ALA 29 7.892 0.543 -1.560
204 MB ALA 29 QB ALA 29 7.881 1.150 -0.728
205 H ALA 30 H ALA 30 7.015 0.084 2.188
206 HA ALA 30 HA ALA 30 8.664 1.298 4.179
207 1HB ALA 30 2HB ALA 30 6.217 1.511 4.045
208 2HB ALA 30 3HB ALA 30 6.066 -0.183 4.628
209 3HB ALA 30 1HB ALA 30 6.803 1.030 5.661
210 MB ALA 30 QB ALA 30 6.362 0.786 4.778
211 H ALA 31 H ALA 31 8.819 -1.978 3.275
212 HA ALA 31 HA ALA 31 10.524 -2.445 5.690
213 1HB ALA 31 2HB ALA 31 9.002 -4.544 4.102
214 2HB ALA 31 3HB ALA 31 10.066 -4.804 5.502
215 3HB ALA 31 1HB ALA 31 8.548 -3.883 5.698
216 MB ALA 31 QB ALA 31 9.205 -4.410 5.101
217 H ASN 32 H ASN 32 10.929 -1.636 2.649
218 HA ASN 32 HA ASN 32 13.828 -2.267 3.017
219 1HD2 ASN 32 1HD2 ASN 32 11.492 -2.331 0.649
220 2HD2 ASN 32 2HD2 ASN 32 12.385 -2.740 -0.797
221 QB ASN 32 QB ASN 32 14.211 -0.169 1.862
222 QD ASN 32 QD2 ASN 32 11.938 -2.535 -0.074
223 H TRP 33 H TRP 33 11.352 0.090 4.075
224 HA TRP 33 HA TRP 33 11.104 1.407 5.857
225 HD1 TRP 33 HD TRP 33 12.913 0.016 9.862
226 HE1 TRP 33 1HE TRP 33 11.172 0.848 11.586
227 HE3 TRP 33 3HE TRP 33 9.328 1.882 6.632
228 HZ2 TRP 33 2HZ TRP 33 8.523 1.914 11.533
229 HZ3 TRP 33 3HZ TRP 33 7.210 2.688 7.508
230 HH2 TRP 33 HH TRP 33 6.716 2.593 9.895
231 QB TRP 33 QB TRP 33 13.199 -0.060 7.404
232 H ALA 34 H ALA 34 14.307 0.825 5.081
233 HA ALA 34 HA ALA 34 15.298 3.573 4.749
234 1HB ALA 34 1HB ALA 34 16.772 1.538 4.665
235 2HB ALA 34 2HB ALA 34 15.801 0.918 3.325
236 3HB ALA 34 3HB ALA 34 16.793 2.385 3.105
237 MB ALA 34 QB ALA 34 16.455 1.614 3.699
238 H THR 35 H THR 35 12.728 1.692 3.312
239 HA THR 35 HA THR 35 10.909 2.594 2.136
240 HB THR 35 HB THR 35 12.389 5.122 2.632
241 HG1 THR 35 1HG THR 35 11.035 5.127 4.356
242 1HG2 THR 35 1HG2 THR 35 9.464 4.593 1.811
243 2HG2 THR 35 3HG2 THR 35 10.070 6.133 2.463
244 3HG2 THR 35 2HG2 THR 35 10.617 5.567 0.891
245 MG THR 35 QG2 THR 35 10.050 5.431 1.722
246 H GLY 36 H GLY 36 11.547 1.058 0.523
247 1HA GLY 36 3HA GLY 36 11.318 2.078 -2.113
248 2HA GLY 36 2HA GLY 36 11.855 0.442 -1.699
249 QA GLY 36 QA GLY 36 11.855 0.442 -1.699
250 H GLY 37 H GLY 37 14.194 1.953 -0.204
251 1HA GLY 37 3HA GLY 37 15.971 2.449 -2.555
252 2HA GLY 37 2HA GLY 37 16.514 2.144 -0.904
253 QA GLY 37 QA GLY 37 16.514 2.144 -0.904
254 H ASN 38 H ASN 38 14.081 4.307 -0.360
255 HA ASN 38 HA ASN 38 14.963 6.791 -1.149
256 1HD2 ASN 38 2HD2 ASN 38 13.907 8.013 2.819
257 2HD2 ASN 38 1HD2 ASN 38 13.654 9.600 2.105
258 QB ASN 38 QB ASN 38 13.819 6.117 1.611
259 QD ASN 38 QD2 ASN 38 13.780 8.807 2.462
260 H ALA 39 H ALA 39 16.092 5.128 1.807
261 HA ALA 39 HA ALA 39 18.179 7.147 2.261
262 1HB ALA 39 2HB ALA 39 16.810 6.232 4.096
263 2HB ALA 39 1HB ALA 39 18.531 5.807 4.313
264 3HB ALA 39 3HB ALA 39 17.415 4.590 3.711
265 MB ALA 39 QB ALA 39 17.585 5.543 4.040
266 H GLY 40 H GLY 40 18.137 5.011 -0.105
267 1HA GLY 40 3HA GLY 40 20.969 4.323 -0.163
268 2HA GLY 40 2HA GLY 40 19.727 3.975 -1.354
269 QA GLY 40 QA GLY 40 19.727 3.975 -1.354
270 H TRP 41 H TRP 41 18.426 2.781 1.419
271 HA TRP 41 HA TRP 41 18.564 0.872 2.752
272 HD1 TRP 41 HD TRP 41 17.193 -0.770 3.667
273 HE1 TRP 41 1HE TRP 41 16.253 -3.140 4.005
274 HE3 TRP 41 3HE TRP 41 17.966 -2.650 -1.047
275 HZ2 TRP 41 2HZ TRP 41 15.965 -5.531 2.494
276 HZ3 TRP 41 3HZ TRP 41 17.496 -5.041 -1.521
277 HH2 TRP 41 HH TRP 41 16.506 -6.500 0.229
278 QB TRP 41 QB TRP 41 18.488 -0.430 0.027
279 H ASN 42 H ASN 42 20.996 1.796 2.824
280 HA ASN 42 HA ASN 42 23.142 0.216 1.938
281 1HD2 ASN 42 1HD2 ASN 42 25.398 1.586 1.693
282 2HD2 ASN 42 2HD2 ASN 42 26.726 1.274 2.807
283 QB ASN 42 QB ASN 42 23.008 2.045 4.346
284 QD ASN 42 QD2 ASN 42 26.062 1.430 2.250
285 H LYS 43 H LYS 43 23.780 -1.730 2.355
286 HA LYS 43 HA LYS 43 23.720 -2.884 5.091
287 1HZ LYS 43 3HZ LYS 43 19.433 -5.924 6.350
288 2HZ LYS 43 2HZ LYS 43 19.680 -4.355 6.666
289 3HZ LYS 43 1HZ LYS 43 18.160 -4.974 6.610
290 QB LYS 43 QB LYS 43 22.999 -5.112 4.039
291 QD LYS 43 QD LYS 43 20.715 -5.901 4.269
292 QG LYS 43 QG LYS 43 20.952 -2.868 3.971
293 QE LYS 43 QE LYS 43 18.257 -5.389 4.277
294 QZ LYS 43 QZ LYS 43 19.091 -5.084 6.542
No H/Q in entry = 294
Start of MODEL 2
1 H1 LYS 1 3H LYS 1 -22.802 4.439 1.047
2 H2 LYS 1 2H LYS 1 -23.773 3.707 -0.041
3 H3 LYS 1 1H LYS 1 -24.109 3.577 1.558
4 HA LYS 1 HA LYS 1 -22.111 2.332 1.935
5 1HZ LYS 1 2HZ LYS 1 -22.742 -2.984 2.937
6 2HZ LYS 1 1HZ LYS 1 -21.582 -3.882 2.252
7 3HZ LYS 1 3HZ LYS 1 -21.369 -2.276 2.425
8 QB LYS 1 QB LYS 1 -23.903 1.114 -0.206
9 QD LYS 1 QD LYS 1 -24.017 -1.451 -0.141
10 QG LYS 1 QG LYS 1 -22.072 -0.204 1.851
11 QE LYS 1 QE LYS 1 -21.929 -2.761 0.104
12 QZ LYS 1 QZ LYS 1 -21.898 -3.047 2.538
13 H TYR 2 H TYR 2 -19.983 2.451 1.344
14 HA TYR 2 HA TYR 2 -19.248 3.220 -1.374
15 HD1 TYR 2 1HD TYR 2 -16.340 0.889 0.240
16 HD2 TYR 2 2HD TYR 2 -18.095 3.790 2.927
17 HE1 TYR 2 1HE TYR 2 -15.482 -0.389 2.182
18 HE2 TYR 2 2HE TYR 2 -17.228 2.519 4.842
19 HH TYR 2 HH TYR 2 -16.122 0.638 5.530
20 QB TYR 2 QB TYR 2 -18.119 4.207 0.589
21 QD TYR 2 QD TYR 2 -17.218 2.340 1.584
22 QE TYR 2 QE TYR 2 -16.355 1.065 3.512
23 QR TYR 2 QR TYR 2 -16.786 1.702 2.548
24 H TYR 3 H TYR 3 -19.830 0.430 -0.053
25 HA TYR 3 HA TYR 3 -20.091 -1.663 -1.029
26 HD1 TYR 3 1HD TYR 3 -21.515 -1.950 -2.920
27 HD2 TYR 3 2HD TYR 3 -18.403 0.652 -4.398
28 HE1 TYR 3 1HE TYR 3 -23.196 -0.712 -4.211
29 HE2 TYR 3 2HE TYR 3 -20.079 1.894 -5.709
30 HH TYR 3 HH TYR 3 -23.584 1.128 -5.623
31 QB TYR 3 QB TYR 3 -18.859 -2.505 -2.939
32 QD TYR 3 QD TYR 3 -19.959 -0.649 -3.659
33 QE TYR 3 QE TYR 3 -21.637 0.591 -4.960
34 QR TYR 3 QR TYR 3 -20.798 -0.029 -4.310
35 H GLY 4 H GLY 4 -16.541 -1.516 -1.245
36 1HA GLY 4 3HA GLY 4 -16.340 -3.500 1.010
37 2HA GLY 4 2HA GLY 4 -15.221 -2.177 0.795
38 QA GLY 4 QA GLY 4 -15.221 -2.177 0.795
39 H ASN 5 H ASN 5 -13.855 -4.093 1.053
40 HA ASN 5 HA ASN 5 -12.026 -5.151 0.157
41 1HD2 ASN 5 1HD2 ASN 5 -13.818 -9.132 -0.914
42 2HD2 ASN 5 2HD2 ASN 5 -12.142 -9.699 -0.875
43 QB ASN 5 QB ASN 5 -14.370 -6.942 -0.445
44 QD ASN 5 QD2 ASN 5 -12.980 -9.416 -0.895
45 H GLY 6 H GLY 6 -11.542 -4.381 -3.319
46 1HA GLY 6 3HA GLY 6 -10.228 -2.983 -1.830
47 2HA GLY 6 2HA GLY 6 -11.432 -3.148 -0.570
48 QA GLY 6 QA GLY 6 -11.432 -3.148 -0.570
49 H VAL 7 H VAL 7 -13.500 -2.932 -2.940
50 HA VAL 7 HA VAL 7 -13.237 -0.581 -4.450
51 HB VAL 7 HB VAL 7 -15.705 -2.119 -3.589
52 1HG1 VAL 7 1HG1 VAL 7 -15.263 -0.136 -5.856
53 2HG1 VAL 7 2HG1 VAL 7 -16.718 -1.158 -5.628
54 3HG1 VAL 7 3HG1 VAL 7 -16.289 0.071 -4.425
55 1HG2 VAL 7 3HG2 VAL 7 -13.931 -2.371 -6.046
56 2HG2 VAL 7 1HG2 VAL 7 -14.162 -3.585 -4.759
57 3HG2 VAL 7 2HG2 VAL 7 -15.507 -3.200 -5.806
58 MG1 VAL 7 QG1 VAL 7 -16.090 -0.408 -5.303
59 MG2 VAL 7 QG2 VAL 7 -14.533 -3.052 -5.537
60 QG VAL 7 QQG VAL 7 -15.312 -1.730 -5.420
61 H HIS 8 H HIS 8 -13.285 1.503 -3.625
62 HA HIS 8 HA HIS 8 -15.412 2.164 -1.628
63 HD1 HIS 8 1HD HIS 8 -14.246 0.336 -0.361
64 HD2 HIS 8 2HD HIS 8 -11.108 2.980 0.568
65 HE1 HIS 8 1HE HIS 8 -12.708 -0.946 1.195
66 HE2 HIS 8 2HE HIS 8 -10.810 0.731 1.861
67 QB HIS 8 QB HIS 8 -13.903 3.820 -0.583
68 H CYS 9 H CYS 9 -16.771 2.681 -3.346
69 HA CYS 9 HA CYS 9 -16.262 5.087 -4.991
70 QB CYS 9 QB CYS 9 -18.704 4.906 -5.439
71 H GLY 10 H GLY 10 -15.657 6.660 -3.658
72 1HA GLY 10 3HA GLY 10 -17.375 7.512 -1.392
73 2HA GLY 10 2HA GLY 10 -17.004 8.667 -2.691
74 QA GLY 10 QA GLY 10 -17.004 8.667 -2.691
75 H LYS 11 H LYS 11 -15.463 6.506 -0.306
76 HA LYS 11 HA LYS 11 -13.623 8.422 0.726
77 1HZ LYS 11 2HZ LYS 11 -14.037 6.220 5.679
78 2HZ LYS 11 1HZ LYS 11 -12.422 6.126 5.708
79 3HZ LYS 11 3HZ LYS 11 -13.176 7.072 4.595
80 QB LYS 11 QB LYS 11 -12.545 6.528 1.841
81 QD LYS 11 QD LYS 11 -14.550 4.159 2.654
82 QG LYS 11 QG LYS 11 -15.564 6.181 1.752
83 QE LYS 11 QE LYS 11 -12.405 5.043 3.492
84 QZ LYS 11 QZ LYS 11 -13.212 6.473 5.327
85 H HIS 12 H HIS 12 -13.199 6.184 -1.943
86 HA HIS 12 HA HIS 12 -10.661 7.522 -2.736
87 HD1 HIS 12 1HD HIS 12 -9.318 3.564 -4.142
88 HD2 HIS 12 2HD HIS 12 -7.930 7.133 -2.434
89 HE1 HIS 12 1HE HIS 12 -6.928 3.954 -5.104
90 HE2 HIS 12 2HE HIS 12 -6.105 6.130 -4.004
91 QB HIS 12 QB HIS 12 -10.872 4.500 -2.481
92 H SER 13 H SER 13 -13.177 7.817 -3.818
93 HA SER 13 HA SER 13 -14.458 7.709 -5.761
94 HG SER 13 HG SER 13 -12.526 10.475 -6.363
95 QB SER 13 QB SER 13 -13.193 8.720 -7.594
96 H CYS 14 H CYS 14 -14.110 5.104 -5.216
97 HA CYS 14 HA CYS 14 -14.688 3.086 -6.080
98 QB CYS 14 QB CYS 14 -15.217 2.742 -8.400
99 H THR 15 H THR 15 -12.454 2.800 -5.117
100 HA THR 15 HA THR 15 -10.300 1.768 -6.653
101 HB THR 15 HB THR 15 -11.288 0.365 -4.180
102 HG1 THR 15 1HG THR 15 -10.536 1.921 -2.893
103 1HG2 THR 15 1HG2 THR 15 -8.535 1.304 -5.111
104 2HG2 THR 15 3HG2 THR 15 -8.880 0.612 -3.511
105 3HG2 THR 15 2HG2 THR 15 -9.093 -0.369 -4.953
106 MG THR 15 QG2 THR 15 -8.836 0.516 -4.525
107 H VAL 16 H VAL 16 -9.793 -0.620 -6.686
108 HA VAL 16 HA VAL 16 -12.034 -2.401 -7.566
109 HB VAL 16 HB VAL 16 -10.153 -3.742 -8.545
110 1HG1 VAL 16 2HG1 VAL 16 -11.458 -2.245 -9.950
111 2HG1 VAL 16 3HG1 VAL 16 -10.309 -0.918 -9.575
112 3HG1 VAL 16 1HG1 VAL 16 -9.754 -2.350 -10.462
113 1HG2 VAL 16 1HG2 VAL 16 -8.338 -2.671 -7.098
114 2HG2 VAL 16 2HG2 VAL 16 -7.954 -2.783 -8.840
115 3HG2 VAL 16 3HG2 VAL 16 -8.440 -1.237 -8.120
116 MG1 VAL 16 QG1 VAL 16 -10.507 -1.838 -9.995
117 MG2 VAL 16 QG2 VAL 16 -8.244 -2.230 -8.019
118 QG VAL 16 QQG VAL 16 -9.376 -2.034 -9.007
119 H ASP 17 H ASP 17 -11.261 -4.802 -7.192
120 HA ASP 17 HA ASP 17 -11.043 -5.620 -4.489
121 QB ASP 17 QB ASP 17 -10.297 -6.925 -7.105
122 H TRP 18 H TRP 18 -8.578 -4.463 -6.634
123 HA TRP 18 HA TRP 18 -6.455 -5.993 -5.580
124 HD1 TRP 18 HD TRP 18 -4.431 -4.117 -9.427
125 HE1 TRP 18 1HE TRP 18 -3.713 -1.630 -9.667
126 HE3 TRP 18 3HE TRP 18 -7.056 -2.089 -5.514
127 HZ2 TRP 18 2HZ TRP 18 -3.866 0.754 -8.054
128 HZ3 TRP 18 3HZ TRP 18 -6.545 0.085 -4.718
129 HH2 TRP 18 HH TRP 18 -4.893 1.535 -5.883
130 QB TRP 18 QB TRP 18 -6.794 -5.063 -7.932
131 H GLY 19 H GLY 19 -7.665 -3.886 -3.638
132 1HA GLY 19 3HA GLY 19 -6.819 -2.565 -1.845
133 2HA GLY 19 2HA GLY 19 -5.454 -2.180 -2.857
134 QA GLY 19 QA GLY 19 -5.454 -2.180 -2.857
135 H THR 20 H THR 20 -5.933 -5.559 -2.452
136 HA THR 20 HA THR 20 -3.977 -6.078 -0.355
137 HB THR 20 HB THR 20 -3.913 -8.366 -1.450
138 HG1 THR 20 1HG THR 20 -5.526 -8.700 -3.054
139 1HG2 THR 20 2HG2 THR 20 -5.522 -7.806 0.315
140 2HG2 THR 20 1HG2 THR 20 -6.717 -7.328 -0.911
141 3HG2 THR 20 3HG2 THR 20 -6.161 -9.015 -0.823
142 MG THR 20 QG2 THR 20 -6.133 -8.050 -0.473
143 H ALA 21 H ALA 21 -3.779 -5.797 -3.909
144 HA ALA 21 HA ALA 21 -1.051 -6.515 -4.245
145 1HB ALA 21 2HB ALA 21 -2.883 -6.377 -6.024
146 2HB ALA 21 3HB ALA 21 -2.664 -4.615 -6.011
147 3HB ALA 21 1HB ALA 21 -1.318 -5.652 -6.469
148 MB ALA 21 QB ALA 21 -2.288 -5.548 -6.168
149 H ILE 22 H ILE 22 -2.501 -3.239 -4.347
150 HA ILE 22 HA ILE 22 0.008 -1.850 -4.147
151 HB ILE 22 HB ILE 22 -1.344 0.117 -3.388
152 1HG2 ILE 22 2HG2 ILE 22 -0.715 -0.305 -5.721
153 2HG2 ILE 22 3HG2 ILE 22 -2.205 -1.253 -5.961
154 3HG2 ILE 22 1HG2 ILE 22 -2.296 0.474 -5.641
155 1HD1 ILE 22 2HD1 ILE 22 -3.881 1.143 -3.879
156 2HD1 ILE 22 3HD1 ILE 22 -4.956 0.239 -2.776
157 3HD1 ILE 22 1HD1 ILE 22 -3.438 0.891 -2.169
158 MG ILE 22 QG2 ILE 22 -1.739 -0.361 -5.774
159 MD ILE 22 QD1 ILE 22 -4.092 0.758 -2.941
160 QG ILE 22 QG1 ILE 22 -3.340 -1.525 -2.543
161 H GLY 23 H GLY 23 -2.268 -2.819 -1.669
162 1HA GLY 23 3HA GLY 23 -1.903 -3.480 0.566
163 2HA GLY 23 2HA GLY 23 -1.126 -1.901 0.719
164 QA GLY 23 QA GLY 23 -1.126 -1.901 0.719
165 H ASN 24 H ASN 24 -0.368 -5.141 -0.655
166 HA ASN 24 HA ASN 24 1.846 -5.656 1.015
167 1HD2 ASN 24 1HD2 ASN 24 -1.095 -7.419 -0.440
168 2HD2 ASN 24 2HD2 ASN 24 -1.068 -8.664 0.813
169 QB ASN 24 QB ASN 24 2.356 -7.344 -0.958
170 QD ASN 24 QD2 ASN 24 -1.081 -8.041 0.187
171 H ILE 25 H ILE 25 1.866 -4.458 -2.384
172 HA ILE 25 HA ILE 25 4.651 -4.205 -2.734
173 HB ILE 25 HB ILE 25 2.385 -2.568 -3.938
174 1HG2 ILE 25 3HG2 ILE 25 5.349 -2.676 -4.714
175 2HG2 ILE 25 1HG2 ILE 25 4.074 -1.957 -5.707
176 3HG2 ILE 25 2HG2 ILE 25 4.468 -1.247 -4.149
177 1HD1 ILE 25 1HD1 ILE 25 1.270 -3.638 -5.865
178 2HD1 ILE 25 2HD1 ILE 25 2.742 -3.370 -6.847
179 3HD1 ILE 25 3HD1 ILE 25 2.040 -4.981 -6.721
180 MG ILE 25 QG2 ILE 25 4.630 -1.960 -4.857
181 MD ILE 25 QD1 ILE 25 2.017 -3.997 -6.478
182 QG ILE 25 QG1 ILE 25 2.576 -5.135 -4.390
183 H GLY 26 H GLY 26 2.382 -1.691 -1.519
184 1HA GLY 26 3HA GLY 26 2.719 0.221 -0.300
185 2HA GLY 26 2HA GLY 26 4.339 0.292 -0.991
186 QA GLY 26 QA GLY 26 4.339 0.292 -0.991
187 H ASN 27 H ASN 27 3.388 -2.467 1.010
188 HA ASN 27 HA ASN 27 4.832 -1.292 3.335
189 1HD2 ASN 27 1HD2 ASN 27 1.499 -1.648 2.386
190 2HD2 ASN 27 2HD2 ASN 27 1.107 -0.329 3.498
191 QB ASN 27 QB ASN 27 3.785 -3.278 4.554
192 QD ASN 27 QD2 ASN 27 1.303 -0.988 2.942
193 H ASN 28 H ASN 28 5.366 -3.811 0.951
194 HA ASN 28 HA ASN 28 7.904 -4.661 2.120
195 1HD2 ASN 28 1HD2 ASN 28 8.536 -7.118 1.298
196 2HD2 ASN 28 2HD2 ASN 28 10.037 -7.127 0.376
197 QB ASN 28 QB ASN 28 7.059 -4.543 -0.795
198 QD ASN 28 QD2 ASN 28 9.286 -7.123 0.837
199 H ALA 29 H ALA 29 6.932 -2.071 -0.212
200 HA ALA 29 HA ALA 29 9.432 -0.808 -0.384
201 1HB ALA 29 3HB ALA 29 6.692 0.519 -0.367
202 2HB ALA 29 1HB ALA 29 8.180 1.202 -1.041
203 3HB ALA 29 2HB ALA 29 7.455 -0.244 -1.793
204 MB ALA 29 QB ALA 29 7.442 0.492 -1.067
205 H ALA 30 H ALA 30 6.949 -0.491 2.210
206 HA ALA 30 HA ALA 30 8.681 1.346 3.679
207 1HB ALA 30 2HB ALA 30 6.186 1.515 3.738
208 2HB ALA 30 1HB ALA 30 6.895 1.316 5.360
209 3HB ALA 30 3HB ALA 30 6.131 -0.061 4.558
210 MB ALA 30 QB ALA 30 6.404 0.923 4.552
211 H ALA 31 H ALA 31 8.750 -2.124 3.606
212 HA ALA 31 HA ALA 31 10.398 -2.168 6.057
213 1HB ALA 31 3HB ALA 31 10.418 -3.982 3.594
214 2HB ALA 31 1HB ALA 31 11.169 -4.320 5.158
215 3HB ALA 31 2HB ALA 31 9.400 -4.253 5.041
216 MB ALA 31 QB ALA 31 10.329 -4.185 4.598
217 H ASN 32 H ASN 32 10.754 -1.232 2.748
218 HA ASN 32 HA ASN 32 13.635 -0.545 3.048
219 1HD2 ASN 32 1HD2 ASN 32 11.297 -3.021 1.091
220 2HD2 ASN 32 2HD2 ASN 32 12.604 -4.190 0.947
221 QB ASN 32 QB ASN 32 13.493 -0.257 0.570
222 QD ASN 32 QD2 ASN 32 11.950 -3.605 1.019
223 H TRP 33 H TRP 33 10.801 1.044 3.709
224 HA TRP 33 HA TRP 33 10.737 3.604 2.798
225 HD1 TRP 33 HD TRP 33 8.624 4.855 6.594
226 HE1 TRP 33 1HE TRP 33 6.327 5.515 5.688
227 HE3 TRP 33 3HE TRP 33 9.006 2.945 1.840
228 HZ2 TRP 33 2HZ TRP 33 4.715 4.941 3.381
229 HZ3 TRP 33 3HZ TRP 33 7.032 2.904 0.372
230 HH2 TRP 33 HH TRP 33 4.860 3.778 1.171
231 QB TRP 33 QB TRP 33 10.747 3.836 5.684
232 H ALA 34 H ALA 34 13.035 2.500 5.166
233 HA ALA 34 HA ALA 34 14.452 5.083 5.429
234 1HB ALA 34 3HB ALA 34 15.711 3.814 7.122
235 2HB ALA 34 1HB ALA 34 13.947 3.577 7.316
236 3HB ALA 34 2HB ALA 34 14.938 2.311 6.564
237 MB ALA 34 QB ALA 34 14.865 3.234 7.001
238 H THR 35 H THR 35 14.659 2.607 3.204
239 HA THR 35 HA THR 35 17.555 3.254 2.605
240 HB THR 35 HB THR 35 16.334 0.506 2.166
241 HG1 THR 35 1HG THR 35 16.623 1.012 4.389
242 1HG2 THR 35 1HG2 THR 35 19.206 1.568 2.052
243 2HG2 THR 35 3HG2 THR 35 18.711 -0.126 1.896
244 3HG2 THR 35 2HG2 THR 35 18.225 1.041 0.666
245 MG THR 35 QG2 THR 35 18.714 0.828 1.538
246 H GLY 36 H GLY 36 15.130 1.383 0.756
247 1HA GLY 36 3HA GLY 36 14.489 1.573 -1.484
248 2HA GLY 36 2HA GLY 36 15.794 2.751 -1.731
249 QA GLY 36 QA GLY 36 15.794 2.751 -1.731
250 H GLY 37 H GLY 37 13.044 2.999 0.572
251 1HA GLY 37 3HA GLY 37 11.466 4.670 0.861
252 2HA GLY 37 2HA GLY 37 11.579 5.025 -0.858
253 QA GLY 37 QA GLY 37 11.579 5.025 -0.858
254 H ASN 38 H ASN 38 14.364 5.179 1.304
255 HA ASN 38 HA ASN 38 14.315 8.065 1.628
256 1HD2 ASN 38 1HD2 ASN 38 15.181 8.738 4.046
257 2HD2 ASN 38 2HD2 ASN 38 16.689 9.662 4.093
258 QB ASN 38 QB ASN 38 16.573 6.073 2.139
259 QD ASN 38 QD2 ASN 38 15.935 9.200 4.070
260 H ALA 39 H ALA 39 15.777 5.796 -0.667
261 HA ALA 39 HA ALA 39 17.539 7.787 -1.913
262 1HB ALA 39 2HB ALA 39 18.210 5.840 -3.307
263 2HB ALA 39 3HB ALA 39 18.261 5.473 -1.567
264 3HB ALA 39 1HB ALA 39 16.928 4.877 -2.556
265 MB ALA 39 QB ALA 39 17.800 5.397 -2.477
266 H GLY 40 H GLY 40 14.429 6.311 -2.729
267 1HA GLY 40 3HA GLY 40 14.437 7.308 -5.491
268 2HA GLY 40 2HA GLY 40 13.492 8.332 -4.427
269 QA GLY 40 QA GLY 40 13.492 8.332 -4.427
270 H TRP 41 H TRP 41 12.941 5.219 -3.273
271 HA TRP 41 HA TRP 41 11.014 4.290 -5.252
272 HD1 TRP 41 HD TRP 41 8.851 2.888 -4.916
273 HE1 TRP 41 1HE TRP 41 7.871 0.550 -4.905
274 HE3 TRP 41 3HE TRP 41 12.512 0.487 -2.222
275 HZ2 TRP 41 2HZ TRP 41 8.558 -2.051 -3.875
276 HZ3 TRP 41 3HZ TRP 41 12.290 -1.952 -1.759
277 HH2 TRP 41 HH TRP 41 10.325 -3.209 -2.534
278 QB TRP 41 QB TRP 41 11.441 3.329 -2.418
279 H ASN 42 H ASN 42 9.979 6.415 -5.295
280 HA ASN 42 HA ASN 42 8.117 7.220 -3.219
281 1HD2 ASN 42 1HD2 ASN 42 7.444 10.254 -6.528
282 2HD2 ASN 42 2HD2 ASN 42 6.300 10.926 -5.356
283 QB ASN 42 QB ASN 42 8.317 8.102 -6.137
284 QD ASN 42 QD2 ASN 42 6.872 10.590 -5.942
285 H LYS 43 H LYS 43 5.794 7.538 -3.754
286 HA LYS 43 HA LYS 43 4.359 5.099 -4.368
287 1HZ LYS 43 1HZ LYS 43 0.773 5.478 -0.399
288 2HZ LYS 43 3HZ LYS 43 -0.382 5.569 -1.539
289 3HZ LYS 43 2HZ LYS 43 1.115 5.055 -1.944
290 QB LYS 43 QB LYS 43 2.347 6.606 -4.108
291 QD LYS 43 QD LYS 43 2.671 8.466 -1.510
292 QG LYS 43 QG LYS 43 4.470 6.808 -1.907
293 QE LYS 43 QE LYS 43 0.801 7.362 -2.702
294 QZ LYS 43 QZ LYS 43 0.502 5.367 -1.294
No H/Q in entry = 294
Start of MODEL 3
1 H1 LYS 1 3H LYS 1 -17.954 -11.961 -13.995
2 H2 LYS 1 2H LYS 1 -17.026 -12.263 -12.681
3 H3 LYS 1 1H LYS 1 -18.483 -13.007 -12.873
4 HA LYS 1 HA LYS 1 -19.622 -10.855 -12.658
5 1HZ LYS 1 1HZ LYS 1 -23.177 -8.697 -9.860
6 2HZ LYS 1 3HZ LYS 1 -22.734 -7.244 -9.259
7 3HZ LYS 1 2HZ LYS 1 -22.398 -7.628 -10.811
8 QB LYS 1 QB LYS 1 -17.799 -11.635 -10.368
9 QD LYS 1 QD LYS 1 -21.438 -10.564 -10.186
10 QG LYS 1 QG LYS 1 -18.643 -9.416 -9.872
11 QE LYS 1 QE LYS 1 -20.371 -7.796 -9.503
12 QZ LYS 1 QZ LYS 1 -22.769 -7.856 -9.977
13 H TYR 2 H TYR 2 -19.064 -9.184 -14.074
14 HA TYR 2 HA TYR 2 -16.837 -7.388 -13.497
15 HD1 TYR 2 1HD TYR 2 -16.298 -5.884 -16.501
16 HD2 TYR 2 2HD TYR 2 -20.033 -5.072 -14.480
17 HE1 TYR 2 1HE TYR 2 -16.103 -3.490 -17.094
18 HE2 TYR 2 2HE TYR 2 -19.821 -2.690 -15.033
19 HH TYR 2 HH TYR 2 -17.023 -1.429 -16.928
20 QB TYR 2 QB TYR 2 -19.303 -7.417 -15.281
21 QD TYR 2 QD TYR 2 -18.165 -5.478 -15.491
22 QE TYR 2 QE TYR 2 -17.962 -3.090 -16.063
23 QR TYR 2 QR TYR 2 -18.063 -4.284 -15.777
24 H TYR 3 H TYR 3 -17.031 -5.516 -12.343
25 HA TYR 3 HA TYR 3 -19.582 -4.990 -10.832
26 HD1 TYR 3 1HD TYR 3 -16.276 -7.151 -10.026
27 HD2 TYR 3 2HD TYR 3 -19.417 -5.383 -7.644
28 HE1 TYR 3 1HE TYR 3 -16.029 -8.916 -8.371
29 HE2 TYR 3 2HE TYR 3 -19.355 -7.333 -6.121
30 HH TYR 3 HH TYR 3 -18.256 -9.236 -5.562
31 QB TYR 3 QB TYR 3 -18.067 -3.994 -9.095
32 QD TYR 3 QD TYR 3 -17.847 -6.267 -8.835
33 QE TYR 3 QE TYR 3 -17.692 -8.125 -7.246
34 QR TYR 3 QR TYR 3 -17.769 -7.196 -8.041
35 H GLY 4 H GLY 4 -16.920 -3.475 -12.670
36 1HA GLY 4 3HA GLY 4 -17.704 -0.735 -11.951
37 2HA GLY 4 2HA GLY 4 -18.079 -1.219 -13.610
38 QA GLY 4 QA GLY 4 -18.079 -1.219 -13.610
39 H ASN 5 H ASN 5 -16.574 0.799 -13.305
40 HA ASN 5 HA ASN 5 -14.673 1.646 -14.423
41 1HD2 ASN 5 1HD2 ASN 5 -14.039 4.103 -13.356
42 2HD2 ASN 5 2HD2 ASN 5 -12.305 4.334 -13.209
43 QB ASN 5 QB ASN 5 -13.880 0.931 -11.573
44 QD ASN 5 QD2 ASN 5 -13.172 4.218 -13.283
45 H GLY 6 H GLY 6 -12.631 -0.399 -12.432
46 1HA GLY 6 3HA GLY 6 -10.534 -1.189 -13.458
47 2HA GLY 6 2HA GLY 6 -11.437 -1.659 -14.885
48 QA GLY 6 QA GLY 6 -11.437 -1.659 -14.885
49 H VAL 7 H VAL 7 -13.390 -2.607 -12.294
50 HA VAL 7 HA VAL 7 -11.953 -5.012 -11.492
51 HB VAL 7 HB VAL 7 -12.585 -3.829 -9.663
52 1HG1 VAL 7 2HG1 VAL 7 -15.308 -3.282 -10.873
53 2HG1 VAL 7 3HG1 VAL 7 -14.919 -3.065 -9.137
54 3HG1 VAL 7 1HG1 VAL 7 -14.067 -2.138 -10.386
55 1HG2 VAL 7 1HG2 VAL 7 -13.005 -6.173 -9.486
56 2HG2 VAL 7 2HG2 VAL 7 -14.133 -5.222 -8.465
57 3HG2 VAL 7 3HG2 VAL 7 -14.686 -5.884 -10.026
58 MG1 VAL 7 QG1 VAL 7 -14.765 -2.828 -10.132
59 MG2 VAL 7 QG2 VAL 7 -13.941 -5.760 -9.326
60 QG VAL 7 QQG VAL 7 -14.353 -4.294 -9.729
61 H HIS 8 H HIS 8 -12.164 -6.613 -12.740
62 HA HIS 8 HA HIS 8 -14.707 -7.346 -14.101
63 HD1 HIS 8 1HD HIS 8 -14.620 -4.871 -14.750
64 HD2 HIS 8 2HD HIS 8 -11.163 -5.607 -17.036
65 HE1 HIS 8 1HE HIS 8 -13.969 -2.624 -15.879
66 HE2 HIS 8 2HE HIS 8 -11.903 -3.120 -17.293
67 QB HIS 8 QB HIS 8 -13.440 -7.751 -16.105
68 H CYS 9 H CYS 9 -14.517 -8.565 -11.898
69 HA CYS 9 HA CYS 9 -12.615 -10.484 -11.320
70 QB CYS 9 QB CYS 9 -15.488 -10.608 -10.357
71 H GLY 10 H GLY 10 -12.067 -12.216 -12.337
72 1HA GLY 10 3HA GLY 10 -13.847 -13.778 -14.098
73 2HA GLY 10 2HA GLY 10 -13.395 -14.615 -12.627
74 QA GLY 10 QA GLY 10 -13.395 -14.615 -12.627
75 H LYS 11 H LYS 11 -11.148 -12.463 -14.276
76 HA LYS 11 HA LYS 11 -9.728 -14.365 -15.869
77 1HZ LYS 11 3HZ LYS 11 -5.716 -10.185 -18.855
78 2HZ LYS 11 2HZ LYS 11 -4.745 -10.036 -17.544
79 3HZ LYS 11 1HZ LYS 11 -4.284 -10.942 -18.803
80 QB LYS 11 QB LYS 11 -8.644 -11.823 -14.589
81 QD LYS 11 QD LYS 11 -6.684 -10.812 -16.040
82 QG LYS 11 QG LYS 11 -7.767 -13.498 -17.003
83 QE LYS 11 QE LYS 11 -5.991 -12.587 -18.437
84 QZ LYS 11 QZ LYS 11 -4.915 -10.388 -18.401
85 H HIS 12 H HIS 12 -8.794 -13.149 -12.714
86 HA HIS 12 HA HIS 12 -7.854 -15.827 -11.823
87 HD1 HIS 12 1HD HIS 12 -6.588 -16.255 -13.876
88 HD2 HIS 12 2HD HIS 12 -3.347 -14.434 -11.874
89 HE1 HIS 12 1HE HIS 12 -4.445 -17.151 -14.969
90 HE2 HIS 12 2HE HIS 12 -2.479 -16.020 -13.742
91 QB HIS 12 QB HIS 12 -5.915 -14.522 -10.642
92 H SER 13 H SER 13 -8.165 -12.462 -10.800
93 HA SER 13 HA SER 13 -9.923 -13.177 -8.498
94 HG SER 13 HG SER 13 -6.778 -12.903 -6.833
95 QB SER 13 QB SER 13 -8.635 -11.634 -7.028
96 H CYS 14 H CYS 14 -10.662 -10.948 -7.469
97 HA CYS 14 HA CYS 14 -12.116 -9.433 -9.495
98 QB CYS 14 QB CYS 14 -12.823 -8.071 -7.578
99 H THR 15 H THR 15 -10.979 -8.441 -10.873
100 HA THR 15 HA THR 15 -8.441 -7.776 -10.899
101 HB THR 15 HB THR 15 -10.322 -6.002 -12.429
102 HG1 THR 15 1HG THR 15 -9.896 -8.738 -12.937
103 1HG2 THR 15 3HG2 THR 15 -7.846 -7.557 -13.318
104 2HG2 THR 15 2HG2 THR 15 -8.847 -6.510 -14.334
105 3HG2 THR 15 1HG2 THR 15 -7.921 -5.810 -12.996
106 MG THR 15 QG2 THR 15 -8.205 -6.626 -13.549
107 H VAL 16 H VAL 16 -10.857 -5.414 -9.839
108 HA VAL 16 HA VAL 16 -8.812 -4.585 -8.117
109 HB VAL 16 HB VAL 16 -8.135 -2.900 -9.500
110 1HG1 VAL 16 1HG1 VAL 16 -11.006 -2.047 -9.822
111 2HG1 VAL 16 2HG1 VAL 16 -9.568 -1.173 -10.466
112 3HG1 VAL 16 3HG1 VAL 16 -9.953 -2.810 -11.049
113 1HG2 VAL 16 3HG2 VAL 16 -8.694 -2.217 -7.039
114 2HG2 VAL 16 1HG2 VAL 16 -8.183 -1.014 -8.234
115 3HG2 VAL 16 2HG2 VAL 16 -9.892 -1.153 -7.797
116 MG1 VAL 16 QG1 VAL 16 -10.176 -2.010 -10.446
117 MG2 VAL 16 QG2 VAL 16 -8.923 -1.461 -7.690
118 QG VAL 16 QQG VAL 16 -9.549 -1.736 -9.068
119 H ASP 17 H ASP 17 -10.283 -5.991 -7.076
120 HA ASP 17 HA ASP 17 -11.393 -4.171 -4.993
121 QB ASP 17 QB ASP 17 -10.896 -7.186 -4.949
122 H TRP 18 H TRP 18 -8.716 -4.302 -6.485
123 HA TRP 18 HA TRP 18 -6.991 -5.926 -5.100
124 HD1 TRP 18 HD TRP 18 -4.618 -4.935 -9.117
125 HE1 TRP 18 1HE TRP 18 -3.635 -2.638 -9.696
126 HE3 TRP 18 3HE TRP 18 -7.078 -2.118 -5.628
127 HZ2 TRP 18 2HZ TRP 18 -3.810 0.076 -8.641
128 HZ3 TRP 18 3HZ TRP 18 -6.536 0.144 -5.284
129 HH2 TRP 18 HH TRP 18 -4.884 1.313 -6.698
130 QB TRP 18 QB TRP 18 -7.051 -5.486 -7.535
131 H GLY 19 H GLY 19 -7.774 -3.557 -3.408
132 1HA GLY 19 3HA GLY 19 -6.811 -1.983 -1.938
133 2HA GLY 19 2HA GLY 19 -5.468 -1.875 -3.022
134 QA GLY 19 QA GLY 19 -5.468 -1.875 -3.022
135 H THR 20 H THR 20 -6.135 -5.092 -2.080
136 HA THR 20 HA THR 20 -4.138 -5.481 0.003
137 HB THR 20 HB THR 20 -4.267 -7.891 -0.777
138 HG1 THR 20 1HG THR 20 -5.994 -8.323 -2.228
139 1HG2 THR 20 2HG2 THR 20 -6.924 -6.529 -0.103
140 2HG2 THR 20 1HG2 THR 20 -6.591 -8.266 0.034
141 3HG2 THR 20 3HG2 THR 20 -5.717 -7.125 1.059
142 MG THR 20 QG2 THR 20 -6.410 -7.307 0.330
143 H ALA 21 H ALA 21 -4.083 -5.586 -3.549
144 HA ALA 21 HA ALA 21 -1.433 -6.607 -3.847
145 1HB ALA 21 3HB ALA 21 -3.226 -6.674 -5.577
146 2HB ALA 21 1HB ALA 21 -3.055 -4.914 -5.811
147 3HB ALA 21 2HB ALA 21 -1.699 -6.000 -6.193
148 MB ALA 21 QB ALA 21 -2.660 -5.862 -5.860
149 H ILE 22 H ILE 22 -2.651 -3.288 -4.426
150 HA ILE 22 HA ILE 22 -0.038 -2.074 -4.498
151 HB ILE 22 HB ILE 22 -1.254 0.097 -3.970
152 1HG2 ILE 22 2HG2 ILE 22 -0.706 -0.647 -6.261
153 2HG2 ILE 22 3HG2 ILE 22 -2.212 -1.585 -6.313
154 3HG2 ILE 22 1HG2 ILE 22 -2.271 0.189 -6.245
155 1HD1 ILE 22 2HD1 ILE 22 -3.727 1.168 -4.625
156 2HD1 ILE 22 3HD1 ILE 22 -4.880 0.541 -3.428
157 3HD1 ILE 22 1HD1 ILE 22 -3.321 1.164 -2.891
158 MG ILE 22 QG2 ILE 22 -1.730 -0.681 -6.273
159 MD ILE 22 QD1 ILE 22 -3.976 0.958 -3.648
160 QG ILE 22 QG1 ILE 22 -3.296 -1.240 -2.863
161 H GLY 23 H GLY 23 -2.289 -2.421 -1.820
162 1HA GLY 23 3HA GLY 23 -1.944 -2.691 0.456
163 2HA GLY 23 2HA GLY 23 -0.928 -1.262 0.344
164 QA GLY 23 QA GLY 23 -0.928 -1.262 0.344
165 H ASN 24 H ASN 24 -0.632 -4.704 -0.662
166 HA ASN 24 HA ASN 24 1.531 -5.395 1.013
167 1HD2 ASN 24 1HD2 ASN 24 1.625 -8.203 1.318
168 2HD2 ASN 24 2HD2 ASN 24 3.025 -9.001 0.591
169 QB ASN 24 QB ASN 24 0.615 -6.544 -1.653
170 QD ASN 24 QD2 ASN 24 2.325 -8.602 0.955
171 H ILE 25 H ILE 25 1.689 -4.354 -2.442
172 HA ILE 25 HA ILE 25 4.508 -4.415 -2.713
173 HB ILE 25 HB ILE 25 2.433 -2.627 -4.031
174 1HG2 ILE 25 1HG2 ILE 25 5.375 -3.069 -4.754
175 2HG2 ILE 25 2HG2 ILE 25 4.178 -2.214 -5.771
176 3HG2 ILE 25 3HG2 ILE 25 4.677 -1.542 -4.221
177 1HD1 ILE 25 3HD1 ILE 25 1.269 -3.691 -6.015
178 2HD1 ILE 25 1HD1 ILE 25 2.793 -3.567 -6.897
179 3HD1 ILE 25 2HD1 ILE 25 1.967 -5.138 -6.734
180 MG ILE 25 QG2 ILE 25 4.743 -2.275 -4.916
181 MD ILE 25 QD1 ILE 25 2.010 -4.132 -6.549
182 QG ILE 25 QG1 ILE 25 2.368 -5.199 -4.375
183 H GLY 26 H GLY 26 2.461 -1.694 -1.626
184 1HA GLY 26 3HA GLY 26 2.921 0.190 -0.385
185 2HA GLY 26 2HA GLY 26 4.580 0.130 -1.002
186 QA GLY 26 QA GLY 26 4.580 0.130 -1.002
187 H ASN 27 H ASN 27 3.447 -2.605 0.870
188 HA ASN 27 HA ASN 27 4.905 -1.569 3.258
189 1HD2 ASN 27 1HD2 ASN 27 1.661 -1.324 2.249
190 2HD2 ASN 27 2HD2 ASN 27 1.600 0.099 3.298
191 QB ASN 27 QB ASN 27 3.513 -3.331 4.494
192 QD ASN 27 QD2 ASN 27 1.631 -0.612 2.773
193 H ASN 28 H ASN 28 5.134 -4.136 0.960
194 HA ASN 28 HA ASN 28 7.579 -5.250 2.030
195 1HD2 ASN 28 1HD2 ASN 28 8.453 -4.370 -2.076
196 2HD2 ASN 28 2HD2 ASN 28 9.862 -5.411 -1.998
197 QB ASN 28 QB ASN 28 6.603 -4.675 -0.814
198 QD ASN 28 QD2 ASN 28 9.157 -4.890 -2.037
199 H ALA 29 H ALA 29 6.871 -2.323 0.003
200 HA ALA 29 HA ALA 29 9.452 -1.203 0.263
201 1HB ALA 29 3HB ALA 29 6.848 0.312 -0.073
202 2HB ALA 29 1HB ALA 29 8.469 0.853 -0.516
203 3HB ALA 29 2HB ALA 29 7.724 -0.511 -1.384
204 MB ALA 29 QB ALA 29 7.680 0.218 -0.658
205 H ALA 30 H ALA 30 6.677 -1.001 2.602
206 HA ALA 30 HA ALA 30 8.188 0.745 4.385
207 1HB ALA 30 3HB ALA 30 5.654 0.582 4.330
208 2HB ALA 30 1HB ALA 30 5.827 -1.013 5.111
209 3HB ALA 30 2HB ALA 30 6.388 0.462 5.934
210 MB ALA 30 QB ALA 30 5.956 0.010 5.125
211 H ALA 31 H ALA 31 8.547 -2.688 3.911
212 HA ALA 31 HA ALA 31 10.193 -2.919 6.344
213 1HB ALA 31 1HB ALA 31 11.180 -4.865 5.274
214 2HB ALA 31 3HB ALA 31 10.458 -4.441 3.721
215 3HB ALA 31 2HB ALA 31 9.430 -4.925 5.099
216 MB ALA 31 QB ALA 31 10.356 -4.743 4.698
217 H ASN 32 H ASN 32 10.694 -1.899 2.946
218 HA ASN 32 HA ASN 32 13.491 -1.233 3.244
219 1HD2 ASN 32 1HD2 ASN 32 14.543 -2.322 0.854
220 2HD2 ASN 32 2HD2 ASN 32 15.506 -1.087 0.082
221 QB ASN 32 QB ASN 32 11.702 -0.139 1.073
222 QD ASN 32 QD2 ASN 32 15.024 -1.704 0.468
223 H TRP 33 H TRP 33 10.624 0.668 4.014
224 HA TRP 33 HA TRP 33 11.347 3.278 4.224
225 HD1 TRP 33 HD TRP 33 7.965 3.407 7.326
226 HE1 TRP 33 1HE TRP 33 5.887 4.067 5.948
227 HE3 TRP 33 3HE TRP 33 9.899 2.698 2.704
228 HZ2 TRP 33 2HZ TRP 33 5.088 3.949 3.179
229 HZ3 TRP 33 3HZ TRP 33 8.444 2.876 0.684
230 HH2 TRP 33 HH TRP 33 6.073 3.453 0.912
231 QB TRP 33 QB TRP 33 10.423 3.032 6.747
232 H ALA 34 H ALA 34 12.303 0.743 6.445
233 HA ALA 34 HA ALA 34 14.243 2.443 7.979
234 1HB ALA 34 2HB ALA 34 11.906 2.611 8.797
235 2HB ALA 34 1HB ALA 34 12.935 1.814 9.974
236 3HB ALA 34 3HB ALA 34 11.815 0.855 8.920
237 MB ALA 34 QB ALA 34 12.219 1.760 9.230
238 H THR 35 H THR 35 13.467 -0.804 6.889
239 HA THR 35 HA THR 35 15.720 -1.938 8.503
240 HB THR 35 HB THR 35 13.597 -3.455 6.981
241 HG1 THR 35 1HG THR 35 12.730 -2.289 8.788
242 1HG2 THR 35 2HG2 THR 35 15.633 -4.317 9.093
243 2HG2 THR 35 1HG2 THR 35 14.293 -5.312 8.498
244 3HG2 THR 35 3HG2 THR 35 15.563 -4.820 7.379
245 MG THR 35 QG2 THR 35 15.163 -4.816 8.324
246 H GLY 36 H GLY 36 14.430 -1.779 5.199
247 1HA GLY 36 3HA GLY 36 15.475 -2.364 3.131
248 2HA GLY 36 2HA GLY 36 16.819 -3.016 4.035
249 QA GLY 36 QA GLY 36 16.819 -3.016 4.035
250 H GLY 37 H GLY 37 15.324 0.218 3.478
251 1HA GLY 37 3HA GLY 37 16.199 2.284 3.013
252 2HA GLY 37 2HA GLY 37 17.433 1.436 2.111
253 QA GLY 37 QA GLY 37 17.433 1.436 2.111
254 H ASN 38 H ASN 38 16.859 1.178 5.571
255 HA ASN 38 HA ASN 38 18.785 3.045 6.591
256 1HD2 ASN 38 1HD2 ASN 38 18.309 3.831 9.049
257 2HD2 ASN 38 2HD2 ASN 38 19.404 3.310 10.307
258 QB ASN 38 QB ASN 38 17.782 0.464 7.823
259 QD ASN 38 QD2 ASN 38 18.857 3.570 9.678
260 H ALA 39 H ALA 39 19.264 -0.253 5.386
261 HA ALA 39 HA ALA 39 22.030 -0.550 6.293
262 1HB ALA 39 2HB ALA 39 20.460 -2.138 4.239
263 2HB ALA 39 3HB ALA 39 21.935 -2.613 5.094
264 3HB ALA 39 1HB ALA 39 20.428 -2.417 5.994
265 MB ALA 39 QB ALA 39 20.941 -2.390 5.109
266 H GLY 40 H GLY 40 20.742 1.478 3.911
267 1HA GLY 40 3HA GLY 40 23.224 1.695 2.377
268 2HA GLY 40 2HA GLY 40 21.724 2.604 2.128
269 QA GLY 40 QA GLY 40 21.724 2.604 2.128
270 H TRP 41 H TRP 41 19.847 1.035 1.450
271 HA TRP 41 HA TRP 41 20.295 -1.385 0.079
272 HD1 TRP 41 HD TRP 41 17.012 -0.496 -2.596
273 HE1 TRP 41 1HE TRP 41 16.073 -2.847 -3.154
274 HE3 TRP 41 3HE TRP 41 18.671 -3.040 1.529
275 HZ2 TRP 41 2HZ TRP 41 15.970 -5.443 -1.913
276 HZ3 TRP 41 3HZ TRP 41 18.055 -5.436 1.859
277 HH2 TRP 41 HH TRP 41 16.729 -6.612 0.163
278 QB TRP 41 QB TRP 41 18.095 0.613 -0.524
279 H ASN 42 H ASN 42 20.115 -1.980 -2.136
280 HA ASN 42 HA ASN 42 20.952 -0.045 -4.215
281 1HD2 ASN 42 1HD2 ASN 42 22.531 -3.812 -4.885
282 2HD2 ASN 42 2HD2 ASN 42 22.943 -4.756 -3.462
283 QB ASN 42 QB ASN 42 23.031 -0.683 -3.145
284 QD ASN 42 QD2 ASN 42 22.737 -4.284 -4.174
285 H LYS 43 H LYS 43 21.231 -1.053 -6.328
286 HA LYS 43 HA LYS 43 19.147 -2.918 -7.194
287 1HZ LYS 43 1HZ LYS 43 15.866 -1.914 -8.937
288 2HZ LYS 43 3HZ LYS 43 15.932 -0.732 -10.067
289 3HZ LYS 43 2HZ LYS 43 15.860 -2.286 -10.524
290 QB LYS 43 QB LYS 43 20.285 -2.758 -9.371
291 QD LYS 43 QD LYS 43 17.918 0.235 -8.984
292 QG LYS 43 QG LYS 43 20.165 -0.372 -9.831
293 QE LYS 43 QE LYS 43 18.073 -2.729 -9.667
294 QZ LYS 43 QZ LYS 43 15.886 -1.644 -9.843
No H/Q in entry = 294
Start of MODEL 4
1 H1 LYS 1 1H LYS 1 -23.885 0.861 -16.155
2 H2 LYS 1 3H LYS 1 -24.742 0.609 -14.764
3 H3 LYS 1 2H LYS 1 -24.445 2.125 -15.303
4 HA LYS 1 HA LYS 1 -23.012 1.688 -13.451
5 1HZ LYS 1 3HZ LYS 1 -22.207 -5.022 -12.434
6 2HZ LYS 1 2HZ LYS 1 -21.625 -4.300 -11.115
7 3HZ LYS 1 1HZ LYS 1 -23.068 -5.086 -11.046
8 QB LYS 1 QB LYS 1 -21.184 -0.039 -13.771
9 QD LYS 1 QD LYS 1 -21.341 -2.154 -12.432
10 QG LYS 1 QG LYS 1 -23.975 -1.233 -13.622
11 QE LYS 1 QE LYS 1 -24.107 -3.434 -12.493
12 QZ LYS 1 QZ LYS 1 -22.300 -4.802 -11.532
13 H TYR 2 H TYR 2 -20.803 2.351 -13.342
14 HA TYR 2 HA TYR 2 -19.579 3.849 -15.544
15 HD1 TYR 2 1HD TYR 2 -17.518 4.781 -11.506
16 HD2 TYR 2 2HD TYR 2 -16.847 3.700 -15.647
17 HE1 TYR 2 1HE TYR 2 -15.105 5.251 -11.251
18 HE2 TYR 2 2HE TYR 2 -14.485 4.217 -15.390
19 HH TYR 2 HH TYR 2 -12.820 4.879 -13.976
20 QB TYR 2 QB TYR 2 -18.904 3.103 -12.687
21 QD TYR 2 QD TYR 2 -17.182 4.241 -13.576
22 QE TYR 2 QE TYR 2 -14.795 4.734 -13.320
23 QR TYR 2 QR TYR 2 -15.989 4.487 -13.448
24 H TYR 3 H TYR 3 -17.832 1.830 -13.697
25 HA TYR 3 HA TYR 3 -16.108 0.954 -15.666
26 HD1 TYR 3 1HD TYR 3 -18.078 -0.826 -12.545
27 HD2 TYR 3 2HD TYR 3 -14.961 2.075 -11.709
28 HE1 TYR 3 1HE TYR 3 -19.351 -0.035 -10.581
29 HE2 TYR 3 2HE TYR 3 -16.315 2.922 -9.831
30 HH TYR 3 HH TYR 3 -19.452 1.481 -8.901
31 QB TYR 3 QB TYR 3 -14.922 0.832 -13.792
32 QD TYR 3 QD TYR 3 -16.519 0.625 -12.127
33 QE TYR 3 QE TYR 3 -17.833 1.443 -10.206
34 QR TYR 3 QR TYR 3 -17.176 1.034 -11.166
35 H GLY 4 H GLY 4 -16.911 -2.378 -16.773
36 1HA GLY 4 3HA GLY 4 -14.695 -0.400 -16.311
37 2HA GLY 4 2HA GLY 4 -15.201 -0.819 -17.922
38 QA GLY 4 QA GLY 4 -15.201 -0.819 -17.922
39 H ASN 5 H ASN 5 -13.804 -1.795 -14.946
40 HA ASN 5 HA ASN 5 -13.634 -4.651 -15.444
41 1HD2 ASN 5 1HD2 ASN 5 -9.415 -4.351 -13.945
42 2HD2 ASN 5 2HD2 ASN 5 -9.542 -6.110 -13.766
43 QB ASN 5 QB ASN 5 -11.104 -3.099 -14.705
44 QD ASN 5 QD2 ASN 5 -9.479 -5.230 -13.856
45 H GLY 6 H GLY 6 -12.532 -2.165 -13.126
46 1HA GLY 6 3HA GLY 6 -13.188 -3.255 -10.671
47 2HA GLY 6 2HA GLY 6 -14.752 -2.704 -11.315
48 QA GLY 6 QA GLY 6 -14.752 -2.704 -11.315
49 H VAL 7 H VAL 7 -13.358 -0.409 -12.681
50 HA VAL 7 HA VAL 7 -11.245 0.552 -11.438
51 HB VAL 7 HB VAL 7 -13.082 2.232 -13.157
52 1HG1 VAL 7 2HG1 VAL 7 -10.072 2.185 -12.641
53 2HG1 VAL 7 3HG1 VAL 7 -10.897 3.219 -13.838
54 3HG1 VAL 7 1HG1 VAL 7 -11.195 3.446 -12.088
55 1HG2 VAL 7 1HG2 VAL 7 -10.975 0.104 -13.809
56 2HG2 VAL 7 2HG2 VAL 7 -12.663 0.147 -14.353
57 3HG2 VAL 7 3HG2 VAL 7 -11.517 1.308 -14.979
58 MG1 VAL 7 QG1 VAL 7 -10.721 2.950 -12.856
59 MG2 VAL 7 QG2 VAL 7 -11.719 0.520 -14.380
60 QG VAL 7 QQG VAL 7 -11.220 1.735 -13.618
61 H HIS 8 H HIS 8 -13.585 3.262 -11.233
62 HA HIS 8 HA HIS 8 -14.462 4.342 -9.369
63 HD1 HIS 8 1HD HIS 8 -13.424 0.701 -8.432
64 HD2 HIS 8 2HD HIS 8 -16.019 3.489 -6.645
65 HE1 HIS 8 1HE HIS 8 -15.707 -0.304 -8.526
66 HE2 HIS 8 2HE HIS 8 -17.288 1.277 -7.168
67 QB HIS 8 QB HIS 8 -13.549 4.267 -7.085
68 H CYS 9 H CYS 9 -12.499 5.254 -11.360
69 HA CYS 9 HA CYS 9 -10.778 7.173 -10.093
70 QB CYS 9 QB CYS 9 -10.792 8.272 -12.221
71 H GLY 10 H GLY 10 -11.113 9.226 -9.387
72 1HA GLY 10 3HA GLY 10 -13.676 10.667 -9.424
73 2HA GLY 10 2HA GLY 10 -12.242 11.093 -8.527
74 QA GLY 10 QA GLY 10 -12.242 11.093 -8.527
75 H LYS 11 H LYS 11 -14.415 8.266 -8.525
76 HA LYS 11 HA LYS 11 -15.698 8.803 -6.057
77 1HZ LYS 11 3HZ LYS 11 -19.224 3.866 -8.544
78 2HZ LYS 11 2HZ LYS 11 -20.391 4.276 -7.476
79 3HZ LYS 11 1HZ LYS 11 -20.254 5.068 -8.905
80 QB LYS 11 QB LYS 11 -16.472 6.435 -6.168
81 QD LYS 11 QD LYS 11 -17.185 5.412 -8.894
82 QG LYS 11 QG LYS 11 -16.491 7.845 -8.875
83 QE LYS 11 QE LYS 11 -19.443 6.479 -7.151
84 QZ LYS 11 QZ LYS 11 -19.956 4.403 -8.308
85 H HIS 12 H HIS 12 -13.101 6.480 -6.681
86 HA HIS 12 HA HIS 12 -11.761 6.962 -4.147
87 HD1 HIS 12 1HD HIS 12 -10.215 3.419 -3.746
88 HD2 HIS 12 2HD HIS 12 -12.666 5.613 -1.105
89 HE1 HIS 12 1HE HIS 12 -9.168 3.191 -1.423
90 HE2 HIS 12 2HE HIS 12 -10.654 4.512 0.188
91 QB HIS 12 QB HIS 12 -12.795 4.108 -4.571
92 H SER 13 H SER 13 -10.475 7.691 -6.085
93 HA SER 13 HA SER 13 -8.729 7.512 -7.533
94 HG SER 13 HG SER 13 -7.162 7.991 -4.430
95 QB SER 13 QB SER 13 -6.755 6.777 -6.338
96 H CYS 14 H CYS 14 -10.462 5.598 -8.491
97 HA CYS 14 HA CYS 14 -10.585 3.773 -9.973
98 QB CYS 14 QB CYS 14 -8.774 3.547 -11.497
99 H THR 15 H THR 15 -10.116 3.166 -7.123
100 HA THR 15 HA THR 15 -8.459 0.839 -6.860
101 HB THR 15 HB THR 15 -10.841 1.736 -5.174
102 HG1 THR 15 1HG THR 15 -8.764 2.969 -5.445
103 1HG2 THR 15 2HG2 THR 15 -8.680 -0.388 -4.696
104 2HG2 THR 15 1HG2 THR 15 -9.691 0.299 -3.419
105 3HG2 THR 15 3HG2 THR 15 -10.438 -0.632 -4.715
106 MG THR 15 QG2 THR 15 -9.603 -0.240 -4.276
107 H VAL 16 H VAL 16 -8.760 -0.596 -8.417
108 HA VAL 16 HA VAL 16 -11.020 -1.685 -9.577
109 HB VAL 16 HB VAL 16 -8.543 -3.321 -9.042
110 1HG1 VAL 16 3HG1 VAL 16 -10.480 -3.158 -11.399
111 2HG1 VAL 16 1HG1 VAL 16 -8.942 -4.090 -11.375
112 3HG1 VAL 16 2HG1 VAL 16 -10.234 -4.529 -10.263
113 1HG2 VAL 16 1HG2 VAL 16 -8.861 -1.159 -11.190
114 2HG2 VAL 16 2HG2 VAL 16 -7.724 -1.103 -9.801
115 3HG2 VAL 16 3HG2 VAL 16 -7.511 -2.313 -11.041
116 MG1 VAL 16 QG1 VAL 16 -9.885 -3.926 -11.012
117 MG2 VAL 16 QG2 VAL 16 -8.032 -1.525 -10.677
118 QG VAL 16 QQG VAL 16 -8.959 -2.725 -10.845
119 H ASP 17 H ASP 17 -9.901 -2.231 -6.481
120 HA ASP 17 HA ASP 17 -11.181 -3.224 -4.654
121 QB ASP 17 QB ASP 17 -11.438 -5.675 -6.443
122 H TRP 18 H TRP 18 -8.707 -4.394 -6.707
123 HA TRP 18 HA TRP 18 -7.109 -5.951 -4.976
124 HD1 TRP 18 HD TRP 18 -5.019 -5.452 -9.317
125 HE1 TRP 18 1HE TRP 18 -4.274 -3.199 -10.306
126 HE3 TRP 18 3HE TRP 18 -7.490 -2.278 -6.103
127 HZ2 TRP 18 2HZ TRP 18 -4.211 -0.467 -9.389
128 HZ3 TRP 18 3HZ TRP 18 -6.722 -0.035 -5.877
129 HH2 TRP 18 HH TRP 18 -5.010 0.928 -7.413
130 QB TRP 18 QB TRP 18 -7.136 -5.945 -7.427
131 H GLY 19 H GLY 19 -7.857 -3.388 -3.742
132 1HA GLY 19 3HA GLY 19 -6.950 -1.731 -2.321
133 2HA GLY 19 2HA GLY 19 -5.599 -1.617 -3.426
134 QA GLY 19 QA GLY 19 -5.599 -1.617 -3.426
135 H THR 20 H THR 20 -6.298 -4.733 -2.068
136 HA THR 20 HA THR 20 -4.402 -4.797 0.121
137 HB THR 20 HB THR 20 -4.710 -7.332 -0.224
138 HG1 THR 20 1HG THR 20 -6.469 -7.860 -1.562
139 1HG2 THR 20 3HG2 THR 20 -6.080 -6.018 1.397
140 2HG2 THR 20 2HG2 THR 20 -7.263 -5.708 0.113
141 3HG2 THR 20 1HG2 THR 20 -6.980 -7.361 0.677
142 MG THR 20 QG2 THR 20 -6.774 -6.362 0.729
143 H ALA 21 H ALA 21 -4.240 -5.529 -3.349
144 HA ALA 21 HA ALA 21 -1.626 -6.687 -3.405
145 1HB ALA 21 2HB ALA 21 -3.277 -6.736 -5.348
146 2HB ALA 21 3HB ALA 21 -2.931 -5.018 -5.627
147 3HB ALA 21 1HB ALA 21 -1.650 -6.189 -5.769
148 MB ALA 21 QB ALA 21 -2.619 -5.981 -5.581
149 H ILE 22 H ILE 22 -2.704 -3.306 -4.139
150 HA ILE 22 HA ILE 22 -0.113 -2.209 -4.045
151 HB ILE 22 HB ILE 22 -2.043 -0.194 -3.257
152 1HG2 ILE 22 1HG2 ILE 22 -0.490 -0.793 -5.784
153 2HG2 ILE 22 2HG2 ILE 22 -1.292 0.754 -5.438
154 3HG2 ILE 22 3HG2 ILE 22 0.062 0.194 -4.414
155 1HD1 ILE 22 1HD1 ILE 22 -2.097 -2.613 -6.153
156 2HD1 ILE 22 2HD1 ILE 22 -3.820 -2.347 -6.489
157 3HD1 ILE 22 3HD1 ILE 22 -2.627 -1.131 -6.969
158 MG ILE 22 QG2 ILE 22 -0.573 0.052 -5.212
159 MD ILE 22 QD1 ILE 22 -2.848 -2.030 -6.537
160 QG ILE 22 QG1 ILE 22 -3.666 -0.255 -5.017
161 H GLY 23 H GLY 23 -2.401 -2.687 -1.458
162 1HA GLY 23 3HA GLY 23 -2.020 -2.897 0.835
163 2HA GLY 23 2HA GLY 23 -1.048 -1.438 0.709
164 QA GLY 23 QA GLY 23 -1.048 -1.438 0.709
165 H ASN 24 H ASN 24 -0.568 -4.810 -0.558
166 HA ASN 24 HA ASN 24 1.579 -5.487 1.170
167 1HD2 ASN 24 1HD2 ASN 24 2.725 -7.751 -2.254
168 2HD2 ASN 24 2HD2 ASN 24 3.666 -8.714 -1.130
169 QB ASN 24 QB ASN 24 0.884 -6.574 -1.591
170 QD ASN 24 QD2 ASN 24 3.195 -8.232 -1.692
171 H ILE 25 H ILE 25 1.602 -4.071 -2.105
172 HA ILE 25 HA ILE 25 4.464 -3.888 -2.431
173 HB ILE 25 HB ILE 25 2.188 -2.262 -3.609
174 1HG2 ILE 25 1HG2 ILE 25 5.127 -2.262 -4.402
175 2HG2 ILE 25 2HG2 ILE 25 3.815 -1.508 -5.335
176 3HG2 ILE 25 3HG2 ILE 25 4.230 -0.896 -3.752
177 1HD1 ILE 25 1HD1 ILE 25 1.248 -3.173 -5.712
178 2HD1 ILE 25 2HD1 ILE 25 2.797 -3.032 -6.568
179 3HD1 ILE 25 3HD1 ILE 25 1.980 -4.603 -6.470
180 MG ILE 25 QG2 ILE 25 4.391 -1.555 -4.496
181 MD ILE 25 QD1 ILE 25 2.009 -3.603 -6.250
182 QG ILE 25 QG1 ILE 25 2.338 -4.764 -4.122
183 H GLY 26 H GLY 26 2.104 -1.592 -1.029
184 1HA GLY 26 3HA GLY 26 2.292 -0.009 0.609
185 2HA GLY 26 2HA GLY 26 3.798 0.497 -0.204
186 QA GLY 26 QA GLY 26 3.798 0.497 -0.204
187 H ASN 27 H ASN 27 2.791 -2.358 1.760
188 HA ASN 27 HA ASN 27 4.554 -1.908 3.922
189 1HD2 ASN 27 1HD2 ASN 27 4.012 -2.884 6.063
190 2HD2 ASN 27 2HD2 ASN 27 4.974 -4.210 6.698
191 QB ASN 27 QB ASN 27 3.500 -4.560 2.870
192 QD ASN 27 QD2 ASN 27 4.493 -3.547 6.381
193 H ASN 28 H ASN 28 5.234 -3.730 0.888
194 HA ASN 28 HA ASN 28 7.813 -4.605 1.624
195 1HD2 ASN 28 1HD2 ASN 28 8.390 -3.512 -2.462
196 2HD2 ASN 28 2HD2 ASN 28 9.811 -4.532 -2.546
197 QB ASN 28 QB ASN 28 6.629 -3.955 -1.132
198 QD ASN 28 QD2 ASN 28 9.101 -4.022 -2.504
199 H ALA 29 H ALA 29 6.919 -1.497 0.031
200 HA ALA 29 HA ALA 29 9.590 -0.396 -0.026
201 1HB ALA 29 1HB ALA 29 6.864 0.961 0.068
202 2HB ALA 29 2HB ALA 29 8.397 1.765 -0.264
203 3HB ALA 29 3HB ALA 29 7.786 0.537 -1.388
204 MB ALA 29 QB ALA 29 7.683 1.088 -0.528
205 H ALA 30 H ALA 30 6.887 0.082 2.293
206 HA ALA 30 HA ALA 30 8.240 1.629 4.212
207 1HB ALA 30 3HB ALA 30 5.805 1.432 4.044
208 2HB ALA 30 1HB ALA 30 5.892 -0.248 4.633
209 3HB ALA 30 2HB ALA 30 6.394 1.109 5.683
210 MB ALA 30 QB ALA 30 6.030 0.764 4.786
211 H ALA 31 H ALA 31 8.787 -1.744 3.612
212 HA ALA 31 HA ALA 31 10.426 -1.781 6.058
213 1HB ALA 31 3HB ALA 31 9.080 -4.193 4.731
214 2HB ALA 31 1HB ALA 31 10.068 -4.234 6.205
215 3HB ALA 31 2HB ALA 31 8.518 -3.378 6.193
216 MB ALA 31 QB ALA 31 9.222 -3.935 5.710
217 H ASN 32 H ASN 32 10.813 -1.836 2.733
218 HA ASN 32 HA ASN 32 13.771 -1.969 3.042
219 1HD2 ASN 32 1HD2 ASN 32 11.292 -2.994 0.591
220 2HD2 ASN 32 2HD2 ASN 32 12.449 -3.931 -0.352
221 QB ASN 32 QB ASN 32 13.593 -0.292 1.113
222 QD ASN 32 QD2 ASN 32 11.870 -3.463 0.120
223 H TRP 33 H TRP 33 11.208 -0.231 4.378
224 HA TRP 33 HA TRP 33 10.988 1.531 5.722
225 HD1 TRP 33 HD TRP 33 12.423 3.663 8.233
226 HE1 TRP 33 1HE TRP 33 10.809 3.105 10.176
227 HE3 TRP 33 3HE TRP 33 11.995 -1.371 7.522
228 HZ2 TRP 33 2HZ TRP 33 9.224 0.862 11.013
229 HZ3 TRP 33 3HZ TRP 33 10.313 -2.677 8.801
230 HH2 TRP 33 HH TRP 33 8.849 -1.552 10.459
231 QB TRP 33 QB TRP 33 13.692 2.291 6.415
232 H ALA 34 H ALA 34 11.187 1.591 2.983
233 HA ALA 34 HA ALA 34 11.493 2.686 1.082
234 1HB ALA 34 3HB ALA 34 9.716 3.861 2.265
235 2HB ALA 34 2HB ALA 34 10.579 4.930 1.127
236 3HB ALA 34 1HB ALA 34 10.877 5.042 2.887
237 MB ALA 34 QB ALA 34 10.390 4.611 2.093
238 H THR 35 H THR 35 13.911 2.064 2.474
239 HA THR 35 HA THR 35 15.739 4.275 1.626
240 HB THR 35 HB THR 35 15.805 2.743 4.231
241 HG1 THR 35 1HG THR 35 14.362 4.409 4.264
242 1HG2 THR 35 1HG2 THR 35 17.712 4.865 3.172
243 2HG2 THR 35 3HG2 THR 35 17.648 4.278 4.851
244 3HG2 THR 35 2HG2 THR 35 18.120 3.176 3.550
245 MG THR 35 QG2 THR 35 17.827 4.106 3.858
246 H GLY 36 H GLY 36 15.742 0.816 2.646
247 1HA GLY 36 3HA GLY 36 16.945 -0.995 1.964
248 2HA GLY 36 2HA GLY 36 18.272 0.130 1.685
249 QA GLY 36 QA GLY 36 18.272 0.130 1.685
250 H GLY 37 H GLY 37 15.482 0.657 -0.230
251 1HA GLY 37 3HA GLY 37 15.073 -0.557 -2.386
252 2HA GLY 37 2HA GLY 37 16.802 -0.496 -2.680
253 QA GLY 37 QA GLY 37 16.802 -0.496 -2.680
254 H ASN 38 H ASN 38 16.293 2.427 -1.317
255 HA ASN 38 HA ASN 38 14.434 3.827 -2.854
256 1HD2 ASN 38 1HD2 ASN 38 13.795 5.950 -0.485
257 2HD2 ASN 38 2HD2 ASN 38 13.780 7.469 -1.378
258 QB ASN 38 QB ASN 38 16.928 4.913 -1.466
259 QD ASN 38 QD2 ASN 38 13.788 6.709 -0.932
260 H ALA 39 H ALA 39 17.926 3.585 -3.436
261 HA ALA 39 HA ALA 39 17.772 5.261 -5.867
262 1HB ALA 39 1HB ALA 39 19.504 5.569 -4.071
263 2HB ALA 39 3HB ALA 39 20.213 5.242 -5.674
264 3HB ALA 39 2HB ALA 39 20.136 3.952 -4.466
265 MB ALA 39 QB ALA 39 19.951 4.921 -4.737
266 H GLY 40 H GLY 40 17.353 1.942 -5.432
267 1HA GLY 40 3HA GLY 40 19.036 0.465 -6.832
268 2HA GLY 40 2HA GLY 40 18.306 1.303 -8.190
269 QA GLY 40 QA GLY 40 18.306 1.303 -8.190
270 H TRP 41 H TRP 41 15.869 0.750 -5.882
271 HA TRP 41 HA TRP 41 14.945 -1.686 -7.369
272 HD1 TRP 41 HD TRP 41 12.442 -2.920 -4.038
273 HE1 TRP 41 1HE TRP 41 12.069 -5.413 -4.591
274 HE3 TRP 41 3HE TRP 41 16.545 -3.727 -6.950
275 HZ2 TRP 41 2HZ TRP 41 13.411 -7.517 -6.062
276 HZ3 TRP 41 3HZ TRP 41 16.987 -5.996 -7.904
277 HH2 TRP 41 HH TRP 41 15.453 -7.875 -7.444
278 QB TRP 41 QB TRP 41 14.275 -1.157 -4.475
279 H ASN 42 H ASN 42 14.324 1.393 -7.226
280 HA ASN 42 HA ASN 42 11.445 1.553 -6.817
281 1HD2 ASN 42 1HD2 ASN 42 11.670 4.114 -9.840
282 2HD2 ASN 42 2HD2 ASN 42 10.301 5.030 -9.222
283 QB ASN 42 QB ASN 42 13.350 3.449 -8.255
284 QD ASN 42 QD2 ASN 42 10.986 4.572 -9.531
285 H LYS 43 H LYS 43 10.248 0.252 -8.031
286 HA LYS 43 HA LYS 43 10.662 -0.544 -10.738
287 1HZ LYS 43 3HZ LYS 43 9.512 -5.254 -12.538
288 2HZ LYS 43 2HZ LYS 43 8.651 -5.106 -13.907
289 3HZ LYS 43 1HZ LYS 43 9.988 -4.186 -13.672
290 QB LYS 43 QB LYS 43 8.086 -0.469 -9.131
291 QD LYS 43 QD LYS 43 9.444 -3.482 -10.734
292 QG LYS 43 QG LYS 43 7.779 -1.067 -11.555
293 QE LYS 43 QE LYS 43 7.945 -2.848 -13.321
294 QZ LYS 43 QZ LYS 43 9.384 -4.849 -13.372
No H/Q in entry = 294
Start of MODEL 5
1 H1 LYS 1 1H LYS 1 -19.598 -8.700 -11.208
2 H2 LYS 1 3H LYS 1 -18.508 -9.464 -12.161
3 H3 LYS 1 2H LYS 1 -18.746 -9.982 -10.629
4 HA LYS 1 HA LYS 1 -17.882 -7.916 -9.748
5 1HZ LYS 1 2HZ LYS 1 -11.338 -9.612 -10.174
6 2HZ LYS 1 1HZ LYS 1 -10.600 -8.278 -9.585
7 3HZ LYS 1 3HZ LYS 1 -11.480 -9.220 -8.596
8 QB LYS 1 QB LYS 1 -15.999 -9.332 -11.712
9 QD LYS 1 QD LYS 1 -13.697 -9.527 -10.947
10 QG LYS 1 QG LYS 1 -15.409 -7.627 -9.280
11 QE LYS 1 QE LYS 1 -12.867 -7.377 -8.953
12 QZ LYS 1 QZ LYS 1 -11.139 -9.037 -9.452
13 H TYR 2 H TYR 2 -17.964 -5.794 -10.048
14 HA TYR 2 HA TYR 2 -17.787 -4.481 -12.679
15 HD1 TYR 2 1HD TYR 2 -19.055 -1.470 -9.200
16 HD2 TYR 2 2HD TYR 2 -17.691 -2.195 -13.261
17 HE1 TYR 2 1HE TYR 2 -18.412 0.900 -9.417
18 HE2 TYR 2 2HE TYR 2 -17.063 0.165 -13.450
19 HH TYR 2 HH TYR 2 -17.297 2.415 -10.720
20 QB TYR 2 QB TYR 2 -18.459 -3.638 -9.860
21 QD TYR 2 QD TYR 2 -18.373 -1.833 -11.230
22 QE TYR 2 QE TYR 2 -17.738 0.533 -11.434
23 QR TYR 2 QR TYR 2 -18.056 -0.650 -11.332
24 H TYR 3 H TYR 3 -16.569 -2.485 -10.649
25 HA TYR 3 HA TYR 3 -14.902 -1.165 -10.511
26 HD1 TYR 3 1HD TYR 3 -14.342 -5.144 -9.410
27 HD2 TYR 3 2HD TYR 3 -13.536 -1.458 -7.280
28 HE1 TYR 3 1HE TYR 3 -14.959 -6.226 -7.260
29 HE2 TYR 3 2HE TYR 3 -14.176 -2.554 -5.166
30 HH TYR 3 HH TYR 3 -14.807 -4.534 -4.129
31 QB TYR 3 QB TYR 3 -12.820 -1.748 -9.607
32 QD TYR 3 QD TYR 3 -13.939 -3.301 -8.345
33 QE TYR 3 QE TYR 3 -14.568 -4.390 -6.213
34 QR TYR 3 QR TYR 3 -14.253 -3.845 -7.279
35 H GLY 4 H GLY 4 -14.674 -3.276 -13.172
36 1HA GLY 4 3HA GLY 4 -14.276 -2.702 -15.399
37 2HA GLY 4 2HA GLY 4 -12.651 -2.802 -14.743
38 QA GLY 4 QA GLY 4 -12.651 -2.802 -14.743
39 H ASN 5 H ASN 5 -11.500 -0.911 -14.437
40 HA ASN 5 HA ASN 5 -10.885 1.274 -14.348
41 1HD2 ASN 5 1HD2 ASN 5 -11.568 2.994 -18.429
42 2HD2 ASN 5 2HD2 ASN 5 -10.650 4.375 -17.852
43 QB ASN 5 QB ASN 5 -12.051 1.213 -17.136
44 QD ASN 5 QD2 ASN 5 -11.109 3.685 -18.140
45 H GLY 6 H GLY 6 -12.515 1.552 -12.614
46 1HA GLY 6 3HA GLY 6 -15.046 2.799 -13.076
47 2HA GLY 6 2HA GLY 6 -13.841 4.053 -12.777
48 QA GLY 6 QA GLY 6 -13.841 4.053 -12.777
49 H VAL 7 H VAL 7 -14.006 0.867 -11.345
50 HA VAL 7 HA VAL 7 -14.097 0.008 -9.207
51 HB VAL 7 HB VAL 7 -12.319 0.374 -8.170
52 1HG1 VAL 7 1HG1 VAL 7 -11.685 0.535 -10.601
53 2HG1 VAL 7 2HG1 VAL 7 -11.636 2.324 -10.434
54 3HG1 VAL 7 3HG1 VAL 7 -10.528 1.326 -9.547
55 1HG2 VAL 7 2HG2 VAL 7 -12.765 3.335 -8.377
56 2HG2 VAL 7 3HG2 VAL 7 -12.996 2.245 -6.959
57 3HG2 VAL 7 1HG2 VAL 7 -11.365 2.510 -7.565
58 MG1 VAL 7 QG1 VAL 7 -11.283 1.395 -10.194
59 MG2 VAL 7 QG2 VAL 7 -12.375 2.697 -7.634
60 QG VAL 7 QQG VAL 7 -11.829 2.046 -8.914
61 H HIS 8 H HIS 8 -14.635 0.337 -6.752
62 HA HIS 8 HA HIS 8 -17.295 1.577 -6.668
63 HD1 HIS 8 1HD HIS 8 -16.537 -0.727 -7.973
64 HD2 HIS 8 2HD HIS 8 -17.790 -2.447 -4.343
65 HE1 HIS 8 1HE HIS 8 -16.721 -3.208 -8.372
66 HE2 HIS 8 2HE HIS 8 -17.778 -4.239 -6.214
67 QB HIS 8 QB HIS 8 -17.589 0.340 -4.554
68 H CYS 9 H CYS 9 -14.974 3.432 -6.628
69 HA CYS 9 HA CYS 9 -14.750 4.795 -4.155
70 QB CYS 9 QB CYS 9 -14.543 6.834 -5.630
71 H GLY 10 H GLY 10 -16.199 5.767 -2.864
72 1HA GLY 10 3HA GLY 10 -18.622 7.136 -3.797
73 2HA GLY 10 2HA GLY 10 -18.051 6.931 -2.134
74 QA GLY 10 QA GLY 10 -18.051 6.931 -2.134
75 H LYS 11 H LYS 11 -18.771 4.409 -4.523
76 HA LYS 11 HA LYS 11 -21.290 3.527 -3.408
77 1HZ LYS 11 2HZ LYS 11 -22.157 1.406 -9.635
78 2HZ LYS 11 1HZ LYS 11 -22.018 2.792 -10.468
79 3HZ LYS 11 3HZ LYS 11 -20.679 1.945 -10.053
80 QB LYS 11 QB LYS 11 -20.927 1.440 -4.712
81 QD LYS 11 QD LYS 11 -21.553 1.347 -7.134
82 QG LYS 11 QG LYS 11 -20.215 3.951 -6.290
83 QE LYS 11 QE LYS 11 -20.895 3.911 -8.631
84 QZ LYS 11 QZ LYS 11 -21.618 2.048 -10.052
85 H HIS 12 H HIS 12 -17.983 2.442 -2.798
86 HA HIS 12 HA HIS 12 -18.704 1.700 -0.058
87 HD1 HIS 12 1HD HIS 12 -18.973 -0.457 1.668
88 HD2 HIS 12 2HD HIS 12 -15.723 -1.734 -0.710
89 HE1 HIS 12 1HE HIS 12 -17.514 -1.966 3.164
90 HE2 HIS 12 2HE HIS 12 -15.517 -2.680 1.731
91 QB HIS 12 QB HIS 12 -17.558 -0.396 -1.970
92 H SER 13 H SER 13 -15.925 1.066 -2.224
93 HA SER 13 HA SER 13 -14.303 3.163 -1.108
94 HG SER 13 HG SER 13 -11.777 1.405 0.594
95 QB SER 13 QB SER 13 -13.425 0.299 -0.596
96 H CYS 14 H CYS 14 -12.233 3.307 -2.203
97 HA CYS 14 HA CYS 14 -12.382 2.588 -5.034
98 QB CYS 14 QB CYS 14 -10.298 3.923 -5.168
99 H THR 15 H THR 15 -12.184 0.222 -3.504
100 HA THR 15 HA THR 15 -9.435 -0.633 -3.254
101 HB THR 15 HB THR 15 -11.901 -1.408 -2.167
102 HG1 THR 15 1HG THR 15 -9.974 -1.170 -1.071
103 1HG2 THR 15 3HG2 THR 15 -12.141 -3.276 -3.788
104 2HG2 THR 15 2HG2 THR 15 -10.533 -3.867 -3.326
105 3HG2 THR 15 1HG2 THR 15 -11.839 -3.824 -2.131
106 MG THR 15 QG2 THR 15 -11.504 -3.656 -3.082
107 H VAL 16 H VAL 16 -11.528 -0.866 -5.957
108 HA VAL 16 HA VAL 16 -11.454 -1.990 -7.952
109 HB VAL 16 HB VAL 16 -8.521 -2.282 -7.924
110 1HG1 VAL 16 1HG1 VAL 16 -9.702 -2.772 -9.951
111 2HG1 VAL 16 2HG1 VAL 16 -10.459 -1.161 -9.959
112 3HG1 VAL 16 3HG1 VAL 16 -8.693 -1.328 -10.152
113 1HG2 VAL 16 1HG2 VAL 16 -9.862 0.419 -7.759
114 2HG2 VAL 16 2HG2 VAL 16 -8.516 -0.188 -6.779
115 3HG2 VAL 16 3HG2 VAL 16 -8.248 0.159 -8.486
116 MG1 VAL 16 QG1 VAL 16 -9.618 -1.754 -10.021
117 MG2 VAL 16 QG2 VAL 16 -8.875 0.130 -7.675
118 QG VAL 16 QQG VAL 16 -9.247 -0.812 -8.848
119 H ASP 17 H ASP 17 -11.549 -3.809 -5.611
120 HA ASP 17 HA ASP 17 -11.087 -5.821 -4.714
121 QB ASP 17 QB ASP 17 -10.973 -6.855 -7.554
122 H TRP 18 H TRP 18 -8.657 -4.156 -5.663
123 HA TRP 18 HA TRP 18 -6.678 -6.210 -5.037
124 HD1 TRP 18 HD TRP 18 -4.476 -5.544 -9.172
125 HE1 TRP 18 1HE TRP 18 -3.439 -3.320 -9.887
126 HE3 TRP 18 3HE TRP 18 -7.042 -2.449 -6.075
127 HZ2 TRP 18 2HZ TRP 18 -3.424 -0.589 -8.916
128 HZ3 TRP 18 3HZ TRP 18 -6.371 -0.171 -5.750
129 HH2 TRP 18 HH TRP 18 -4.523 0.843 -7.141
130 QB TRP 18 QB TRP 18 -6.953 -5.913 -7.589
131 H GLY 19 H GLY 19 -7.781 -3.536 -3.872
132 1HA GLY 19 3HA GLY 19 -6.973 -1.984 -2.351
133 2HA GLY 19 2HA GLY 19 -5.569 -1.870 -3.379
134 QA GLY 19 QA GLY 19 -5.569 -1.870 -3.379
135 H THR 20 H THR 20 -6.194 -5.020 -2.072
136 HA THR 20 HA THR 20 -4.241 -4.996 0.124
137 HB THR 20 HB THR 20 -4.401 -7.516 -0.233
138 HG1 THR 20 1HG THR 20 -6.140 -8.127 -1.583
139 1HG2 THR 20 3HG2 THR 20 -5.837 -6.352 1.384
140 2HG2 THR 20 2HG2 THR 20 -7.048 -6.050 0.111
141 3HG2 THR 20 1HG2 THR 20 -6.690 -7.714 0.622
142 MG THR 20 QG2 THR 20 -6.525 -6.705 0.706
143 H ALA 21 H ALA 21 -4.020 -5.433 -3.378
144 HA ALA 21 HA ALA 21 -1.349 -6.591 -3.340
145 1HB ALA 21 2HB ALA 21 -2.997 -6.952 -5.247
146 2HB ALA 21 3HB ALA 21 -2.803 -5.253 -5.690
147 3HB ALA 21 1HB ALA 21 -1.414 -6.337 -5.760
148 MB ALA 21 QB ALA 21 -2.405 -6.180 -5.566
149 H ILE 22 H ILE 22 -2.654 -3.366 -4.250
150 HA ILE 22 HA ILE 22 -0.028 -2.131 -4.344
151 HB ILE 22 HB ILE 22 -1.221 0.064 -4.107
152 1HG2 ILE 22 1HG2 ILE 22 -0.642 -1.043 -6.289
153 2HG2 ILE 22 2HG2 ILE 22 -2.249 -1.789 -6.323
154 3HG2 ILE 22 3HG2 ILE 22 -2.089 -0.029 -6.395
155 1HD1 ILE 22 1HD1 ILE 22 -3.679 1.021 -5.123
156 2HD1 ILE 22 2HD1 ILE 22 -4.866 0.567 -3.877
157 3HD1 ILE 22 3HD1 ILE 22 -3.320 1.314 -3.411
158 MG ILE 22 QG2 ILE 22 -1.660 -0.954 -6.336
159 MD ILE 22 QD1 ILE 22 -3.955 0.967 -4.137
160 QG ILE 22 QG1 ILE 22 -3.265 -0.994 -2.873
161 H GLY 23 H GLY 23 -2.372 -2.533 -1.779
162 1HA GLY 23 3HA GLY 23 -2.003 -2.788 0.539
163 2HA GLY 23 2HA GLY 23 -1.038 -1.310 0.417
164 QA GLY 23 QA GLY 23 -1.038 -1.310 0.417
165 H ASN 24 H ASN 24 -0.595 -4.684 -0.697
166 HA ASN 24 HA ASN 24 1.511 -5.399 1.038
167 1HD2 ASN 24 1HD2 ASN 24 2.709 -7.585 -2.487
168 2HD2 ASN 24 2HD2 ASN 24 3.695 -8.560 -1.385
169 QB ASN 24 QB ASN 24 0.972 -6.413 -1.794
170 QD ASN 24 QD2 ASN 24 3.202 -8.072 -1.936
171 H ILE 25 H ILE 25 1.675 -4.050 -2.234
172 HA ILE 25 HA ILE 25 4.525 -3.885 -2.532
173 HB ILE 25 HB ILE 25 2.299 -2.187 -3.737
174 1HG2 ILE 25 1HG2 ILE 25 5.253 -2.245 -4.469
175 2HG2 ILE 25 2HG2 ILE 25 4.002 -1.442 -5.427
176 3HG2 ILE 25 3HG2 ILE 25 4.341 -0.848 -3.816
177 1HD1 ILE 25 1HD1 ILE 25 1.302 -3.121 -5.795
178 2HD1 ILE 25 2HD1 ILE 25 2.797 -2.890 -6.702
179 3HD1 ILE 25 3HD1 ILE 25 2.071 -4.506 -6.606
180 MG ILE 25 QG2 ILE 25 4.532 -1.512 -4.571
181 MD ILE 25 QD1 ILE 25 2.056 -3.506 -6.367
182 QG ILE 25 QG1 ILE 25 2.508 -4.735 -4.280
183 H GLY 26 H GLY 26 2.248 -1.464 -1.216
184 1HA GLY 26 3HA GLY 26 2.560 0.310 0.251
185 2HA GLY 26 2HA GLY 26 4.144 0.540 -0.485
186 QA GLY 26 QA GLY 26 4.144 0.540 -0.485
187 H ASN 27 H ASN 27 3.171 -2.403 1.236
188 HA ASN 27 HA ASN 27 4.692 -1.642 3.632
189 1HD2 ASN 27 1HD2 ASN 27 1.334 -1.942 2.786
190 2HD2 ASN 27 2HD2 ASN 27 0.954 -0.976 4.223
191 QB ASN 27 QB ASN 27 3.817 -3.922 4.446
192 QD ASN 27 QD2 ASN 27 1.144 -1.459 3.505
193 H ASN 28 H ASN 28 5.198 -3.731 0.865
194 HA ASN 28 HA ASN 28 7.757 -4.762 1.757
195 1HD2 ASN 28 1HD2 ASN 28 8.396 -7.004 0.327
196 2HD2 ASN 28 2HD2 ASN 28 9.815 -6.864 -0.707
197 QB ASN 28 QB ASN 28 6.727 -4.163 -1.057
198 QD ASN 28 QD2 ASN 28 9.105 -6.934 -0.190
199 H ALA 29 H ALA 29 6.799 -1.751 -0.005
200 HA ALA 29 HA ALA 29 9.367 -0.509 0.068
201 1HB ALA 29 2HB ALA 29 6.614 0.790 0.248
202 2HB ALA 29 3HB ALA 29 8.131 1.572 -0.244
203 3HB ALA 29 1HB ALA 29 7.394 0.297 -1.251
204 MB ALA 29 QB ALA 29 7.380 0.886 -0.415
205 H ALA 30 H ALA 30 6.905 -0.806 2.659
206 HA ALA 30 HA ALA 30 8.595 0.697 4.477
207 1HB ALA 30 3HB ALA 30 6.090 0.707 4.554
208 2HB ALA 30 1HB ALA 30 6.137 -0.979 5.136
209 3HB ALA 30 2HB ALA 30 6.865 0.304 6.108
210 MB ALA 30 QB ALA 30 6.364 0.011 5.266
211 H ALA 31 H ALA 31 8.789 -2.614 3.562
212 HA ALA 31 HA ALA 31 10.582 -3.224 5.831
213 1HB ALA 31 2HB ALA 31 11.461 -4.996 4.462
214 2HB ALA 31 1HB ALA 31 10.676 -4.341 3.012
215 3HB ALA 31 3HB ALA 31 9.686 -5.026 4.331
216 MB ALA 31 QB ALA 31 10.608 -4.788 3.935
217 H ASN 32 H ASN 32 10.787 -1.561 2.759
218 HA ASN 32 HA ASN 32 13.601 -0.743 3.203
219 1HD2 ASN 32 1HD2 ASN 32 11.216 -2.617 0.688
220 2HD2 ASN 32 2HD2 ASN 32 12.533 -3.665 0.132
221 QB ASN 32 QB ASN 32 13.508 0.165 0.978
222 QD ASN 32 QD2 ASN 32 11.874 -3.141 0.410
223 H TRP 33 H TRP 33 10.783 0.440 4.391
224 HA TRP 33 HA TRP 33 10.548 3.100 4.260
225 HD1 TRP 33 HD TRP 33 8.793 3.338 8.396
226 HE1 TRP 33 1HE TRP 33 6.453 4.262 7.890
227 HE3 TRP 33 3HE TRP 33 8.742 2.731 3.298
228 HZ2 TRP 33 2HZ TRP 33 4.624 4.249 5.638
229 HZ3 TRP 33 3HZ TRP 33 6.699 3.106 2.028
230 HH2 TRP 33 HH TRP 33 4.599 3.728 3.167
231 QB TRP 33 QB TRP 33 10.771 2.511 7.119
232 H ALA 34 H ALA 34 13.314 1.640 5.921
233 HA ALA 34 HA ALA 34 14.561 3.904 7.084
234 1HB ALA 34 1HB ALA 34 15.859 1.524 5.693
235 2HB ALA 34 3HB ALA 34 15.230 1.457 7.360
236 3HB ALA 34 2HB ALA 34 16.575 2.549 6.938
237 MB ALA 34 QB ALA 34 15.888 1.843 6.664
238 H THR 35 H THR 35 14.268 2.972 3.762
239 HA THR 35 HA THR 35 16.505 4.665 2.823
240 HB THR 35 HB THR 35 16.860 3.100 1.252
241 HG1 THR 35 1HG THR 35 14.392 1.909 1.858
242 1HG2 THR 35 1HG2 THR 35 17.465 2.203 3.510
243 2HG2 THR 35 3HG2 THR 35 15.948 1.255 3.472
244 3HG2 THR 35 2HG2 THR 35 17.171 0.982 2.251
245 MG THR 35 QG2 THR 35 16.861 1.480 3.077
246 H GLY 36 H GLY 36 13.105 3.748 2.025
247 1HA GLY 36 3HA GLY 36 12.521 6.179 0.516
248 2HA GLY 36 2HA GLY 36 11.608 4.635 0.494
249 QA GLY 36 QA GLY 36 11.608 4.635 0.494
250 H GLY 37 H GLY 37 14.039 3.096 -0.191
251 1HA GLY 37 3HA GLY 37 14.489 3.605 -3.085
252 2HA GLY 37 2HA GLY 37 14.955 2.200 -2.128
253 QA GLY 37 QA GLY 37 14.955 2.200 -2.128
254 H ASN 38 H ASN 38 15.838 4.602 -0.224
255 HA ASN 38 HA ASN 38 17.612 5.695 0.505
256 1HD2 ASN 38 1HD2 ASN 38 19.857 6.028 1.538
257 2HD2 ASN 38 2HD2 ASN 38 21.497 6.172 0.910
258 QB ASN 38 QB ASN 38 18.965 3.375 -0.811
259 QD ASN 38 QD2 ASN 38 20.677 6.100 1.224
260 H ALA 39 H ALA 39 19.014 4.941 -2.643
261 HA ALA 39 HA ALA 39 18.790 7.772 -3.594
262 1HB ALA 39 3HB ALA 39 21.362 6.154 -3.581
263 2HB ALA 39 2HB ALA 39 20.942 7.415 -2.387
264 3HB ALA 39 1HB ALA 39 21.173 7.824 -4.109
265 MB ALA 39 QB ALA 39 21.159 7.131 -3.359
266 H GLY 40 H GLY 40 18.031 4.696 -4.338
267 1HA GLY 40 3HA GLY 40 18.894 4.689 -7.228
268 2HA GLY 40 2HA GLY 40 17.167 4.664 -6.831
269 QA GLY 40 QA GLY 40 17.167 4.664 -6.831
270 H TRP 41 H TRP 41 17.531 2.812 -4.490
271 HA TRP 41 HA TRP 41 18.760 0.387 -5.277
272 HD1 TRP 41 HD TRP 41 15.485 -1.405 -2.720
273 HE1 TRP 41 1HE TRP 41 16.290 -3.836 -2.467
274 HE3 TRP 41 3HE TRP 41 20.406 -0.730 -3.809
275 HZ2 TRP 41 2HZ TRP 41 18.788 -5.293 -2.658
276 HZ3 TRP 41 3HZ TRP 41 21.993 -2.659 -3.805
277 HH2 TRP 41 HH TRP 41 21.198 -4.931 -3.218
278 QB TRP 41 QB TRP 41 16.480 0.848 -3.309
279 H ASN 42 H ASN 42 18.289 -0.420 -7.213
280 HA ASN 42 HA ASN 42 15.579 -1.549 -7.698
281 1HD2 ASN 42 1HD2 ASN 42 13.741 -0.894 -9.081
282 2HD2 ASN 42 2HD2 ASN 42 13.477 -1.260 -10.759
283 QB ASN 42 QB ASN 42 17.149 0.256 -9.612
284 QD ASN 42 QD2 ASN 42 13.609 -1.077 -9.920
285 H LYS 43 H LYS 43 15.612 -3.061 -9.559
286 HA LYS 43 HA LYS 43 16.227 -5.016 -10.490
287 1HZ LYS 43 3HZ LYS 43 19.973 -4.891 -16.037
288 2HZ LYS 43 2HZ LYS 43 19.227 -6.163 -16.753
289 3HZ LYS 43 1HZ LYS 43 18.471 -4.727 -16.592
290 QB LYS 43 QB LYS 43 18.669 -3.466 -11.401
291 QD LYS 43 QD LYS 43 19.305 -4.085 -13.781
292 QG LYS 43 QG LYS 43 16.909 -5.597 -12.649
293 QE LYS 43 QE LYS 43 17.587 -6.300 -14.966
294 QZ LYS 43 QZ LYS 43 19.224 -5.260 -16.461
No H/Q in entry = 294
Start of MODEL 6
1 H1 LYS 1 3H LYS 1 -19.459 3.633 0.532
2 H2 LYS 1 2H LYS 1 -18.185 4.654 0.746
3 H3 LYS 1 1H LYS 1 -19.666 5.086 1.249
4 HA LYS 1 HA LYS 1 -20.532 5.163 -0.983
5 1HZ LYS 1 1HZ LYS 1 -18.871 11.408 -0.998
6 2HZ LYS 1 3HZ LYS 1 -20.221 11.640 -1.880
7 3HZ LYS 1 2HZ LYS 1 -20.307 11.680 -0.268
8 QB LYS 1 QB LYS 1 -19.372 7.172 -1.753
9 QD LYS 1 QD LYS 1 -18.432 9.240 0.255
10 QG LYS 1 QG LYS 1 -19.462 7.236 1.295
11 QE LYS 1 QE LYS 1 -21.183 9.580 -1.009
12 QZ LYS 1 QZ LYS 1 -19.799 11.576 -1.049
13 H TYR 2 H TYR 2 -20.342 3.333 -2.417
14 HA TYR 2 HA TYR 2 -17.874 2.612 -3.675
15 HD1 TYR 2 1HD TYR 2 -20.749 2.167 -6.703
16 HD2 TYR 2 2HD TYR 2 -18.080 -0.335 -4.429
17 HE1 TYR 2 1HE TYR 2 -20.334 0.793 -8.709
18 HE2 TYR 2 2HE TYR 2 -17.672 -1.736 -6.378
19 HH TYR 2 HH TYR 2 -18.265 -2.142 -8.623
20 QB TYR 2 QB TYR 2 -20.817 2.059 -4.236
21 QD TYR 2 QD TYR 2 -19.414 0.916 -5.566
22 QE TYR 2 QE TYR 2 -19.003 -0.471 -7.543
23 QR TYR 2 QR TYR 2 -19.209 0.222 -6.555
24 H TYR 3 H TYR 3 -16.910 4.390 -4.637
25 HA TYR 3 HA TYR 3 -18.169 6.586 -5.870
26 HD1 TYR 3 1HD TYR 3 -14.062 4.983 -4.545
27 HD2 TYR 3 2HD TYR 3 -16.976 8.188 -4.302
28 HE1 TYR 3 1HE TYR 3 -13.321 5.480 -2.260
29 HE2 TYR 3 2HE TYR 3 -16.184 8.706 -2.005
30 HH TYR 3 HH TYR 3 -14.630 8.227 -0.419
31 QB TYR 3 QB TYR 3 -15.967 7.228 -6.611
32 QD TYR 3 QD TYR 3 -15.519 6.586 -4.423
33 QE TYR 3 QE TYR 3 -14.752 7.093 -2.133
34 QR TYR 3 QR TYR 3 -15.136 6.839 -3.278
35 H GLY 4 H GLY 4 -17.713 3.472 -7.282
36 1HA GLY 4 3HA GLY 4 -18.671 4.489 -9.943
37 2HA GLY 4 2HA GLY 4 -19.463 3.253 -8.994
38 QA GLY 4 QA GLY 4 -19.463 3.253 -8.994
39 H ASN 5 H ASN 5 -15.991 3.034 -9.115
40 HA ASN 5 HA ASN 5 -15.837 1.515 -11.608
41 1HD2 ASN 5 1HD2 ASN 5 -13.386 4.381 -9.662
42 2HD2 ASN 5 2HD2 ASN 5 -13.340 5.189 -11.224
43 QB ASN 5 QB ASN 5 -13.446 1.250 -10.938
44 QD ASN 5 QD2 ASN 5 -13.363 4.785 -10.443
45 H GLY 6 H GLY 6 -15.077 0.627 -8.278
46 1HA GLY 6 3HA GLY 6 -14.483 -2.076 -8.682
47 2HA GLY 6 2HA GLY 6 -16.173 -2.047 -8.152
48 QA GLY 6 QA GLY 6 -16.173 -2.047 -8.152
49 H VAL 7 H VAL 7 -16.022 0.159 -6.378
50 HA VAL 7 HA VAL 7 -13.543 -0.204 -4.776
51 HB VAL 7 HB VAL 7 -13.878 2.315 -4.316
52 1HG1 VAL 7 3HG1 VAL 7 -12.885 1.166 -6.927
53 2HG1 VAL 7 1HG1 VAL 7 -12.557 2.825 -6.347
54 3HG1 VAL 7 2HG1 VAL 7 -11.971 1.423 -5.425
55 1HG2 VAL 7 1HG2 VAL 7 -16.087 2.436 -5.548
56 2HG2 VAL 7 2HG2 VAL 7 -14.829 3.562 -6.166
57 3HG2 VAL 7 3HG2 VAL 7 -15.213 2.101 -7.064
58 MG1 VAL 7 QG1 VAL 7 -12.471 1.805 -6.233
59 MG2 VAL 7 QG2 VAL 7 -15.376 2.700 -6.259
60 QG VAL 7 QQG VAL 7 -13.924 2.252 -6.246
61 H HIS 8 H HIS 8 -13.895 -1.199 -3.050
62 HA HIS 8 HA HIS 8 -15.547 -0.065 -0.879
63 HD1 HIS 8 1HD HIS 8 -15.006 -3.702 -3.473
64 HD2 HIS 8 2HD HIS 8 -18.739 -2.058 -2.318
65 HE1 HIS 8 1HE HIS 8 -16.615 -4.184 -5.353
66 HE2 HIS 8 2HE HIS 8 -18.923 -3.294 -4.627
67 QB HIS 8 QB HIS 8 -16.852 -1.922 -0.497
68 H CYS 9 H CYS 9 -14.273 0.019 0.944
69 HA CYS 9 HA CYS 9 -11.507 -0.582 1.077
70 QB CYS 9 QB CYS 9 -11.869 -0.702 3.588
71 H GLY 10 H GLY 10 -14.364 -2.424 1.813
72 1HA GLY 10 3HA GLY 10 -13.185 -4.426 3.605
73 2HA GLY 10 2HA GLY 10 -13.991 -5.044 2.161
74 QA GLY 10 QA GLY 10 -13.991 -5.044 2.161
75 H LYS 11 H LYS 11 -14.746 -2.201 4.054
76 HA LYS 11 HA LYS 11 -17.655 -2.885 4.112
77 1HZ LYS 11 3HZ LYS 11 -18.910 -5.592 8.844
78 2HZ LYS 11 2HZ LYS 11 -18.075 -6.993 8.762
79 3HZ LYS 11 1HZ LYS 11 -17.284 -5.571 8.827
80 QB LYS 11 QB LYS 11 -17.861 -1.815 6.400
81 QD LYS 11 QD LYS 11 -18.348 -4.599 5.339
82 QG LYS 11 QG LYS 11 -16.821 -3.584 7.779
83 QE LYS 11 QE LYS 11 -17.179 -6.436 6.590
84 QZ LYS 11 QZ LYS 11 -18.090 -6.052 8.811
85 H HIS 12 H HIS 12 -15.485 -0.178 4.856
86 HA HIS 12 HA HIS 12 -17.235 1.855 3.678
87 HD1 HIS 12 1HD HIS 12 -17.631 4.243 4.622
88 HD2 HIS 12 2HD HIS 12 -13.446 4.468 4.216
89 HE1 HIS 12 1HE HIS 12 -17.073 6.708 4.151
90 HE2 HIS 12 2HE HIS 12 -14.518 6.841 3.915
91 QB HIS 12 QB HIS 12 -14.357 2.088 4.619
92 H SER 13 H SER 13 -15.023 3.333 2.295
93 HA SER 13 HA SER 13 -15.907 2.401 -0.287
94 HG SER 13 HG SER 13 -16.199 5.801 0.986
95 QB SER 13 QB SER 13 -15.418 4.611 -0.965
96 H CYS 14 H CYS 14 -12.843 1.996 1.110
97 HA CYS 14 HA CYS 14 -11.419 3.318 -0.981
98 QB CYS 14 QB CYS 14 -11.135 3.898 1.355
99 H THR 15 H THR 15 -12.032 0.306 -1.491
100 HA THR 15 HA THR 15 -9.306 -0.231 -2.595
101 HB THR 15 HB THR 15 -10.727 -1.828 -0.539
102 HG1 THR 15 1HG THR 15 -8.761 -0.680 -0.362
103 1HG2 THR 15 2HG2 THR 15 -9.322 -3.184 -2.849
104 2HG2 THR 15 1HG2 THR 15 -9.516 -3.917 -1.227
105 3HG2 THR 15 3HG2 THR 15 -10.945 -3.529 -2.185
106 MG THR 15 QG2 THR 15 -9.928 -3.543 -2.087
107 H VAL 16 H VAL 16 -9.354 -0.622 -4.675
108 HA VAL 16 HA VAL 16 -11.709 -1.010 -6.271
109 HB VAL 16 HB VAL 16 -8.931 -1.586 -7.272
110 1HG1 VAL 16 2HG1 VAL 16 -10.811 -1.796 -8.867
111 2HG1 VAL 16 3HG1 VAL 16 -11.320 -0.135 -8.494
112 3HG1 VAL 16 1HG1 VAL 16 -9.745 -0.456 -9.279
113 1HG2 VAL 16 3HG2 VAL 16 -10.036 1.207 -6.759
114 2HG2 VAL 16 1HG2 VAL 16 -8.634 0.467 -5.952
115 3HG2 VAL 16 2HG2 VAL 16 -8.555 0.819 -7.676
116 MG1 VAL 16 QG1 VAL 16 -10.625 -0.796 -8.880
117 MG2 VAL 16 QG2 VAL 16 -9.075 0.831 -6.795
118 QG VAL 16 QQG VAL 16 -9.850 0.018 -7.838
119 H ASP 17 H ASP 17 -11.505 -3.110 -4.364
120 HA ASP 17 HA ASP 17 -11.085 -5.230 -3.757
121 QB ASP 17 QB ASP 17 -11.766 -7.035 -5.266
122 H TRP 18 H TRP 18 -8.845 -3.855 -5.781
123 HA TRP 18 HA TRP 18 -6.912 -6.030 -5.319
124 HD1 TRP 18 HD TRP 18 -5.197 -4.584 -9.486
125 HE1 TRP 18 1HE TRP 18 -4.205 -2.236 -9.863
126 HE3 TRP 18 3HE TRP 18 -7.312 -2.155 -5.512
127 HZ2 TRP 18 2HZ TRP 18 -3.999 0.238 -8.359
128 HZ3 TRP 18 3HZ TRP 18 -6.505 -0.021 -4.826
129 HH2 TRP 18 HH TRP 18 -4.848 1.253 -6.246
130 QB TRP 18 QB TRP 18 -7.465 -5.292 -7.682
131 H GLY 19 H GLY 19 -7.714 -3.625 -3.512
132 1HA GLY 19 3HA GLY 19 -6.688 -2.393 -1.825
133 2HA GLY 19 2HA GLY 19 -5.365 -2.136 -2.929
134 QA GLY 19 QA GLY 19 -5.365 -2.136 -2.929
135 H THR 20 H THR 20 -6.111 -5.435 -2.194
136 HA THR 20 HA THR 20 -4.118 -5.885 -0.169
137 HB THR 20 HB THR 20 -5.905 -7.461 -0.586
138 HG1 THR 20 1HG THR 20 -4.148 -8.344 0.334
139 1HG2 THR 20 3HG2 THR 20 -6.072 -7.361 -3.089
140 2HG2 THR 20 2HG2 THR 20 -4.544 -8.276 -3.178
141 3HG2 THR 20 1HG2 THR 20 -6.011 -8.974 -2.431
142 MG THR 20 QG2 THR 20 -5.542 -8.204 -2.899
143 H ALA 21 H ALA 21 -3.924 -5.734 -3.719
144 HA ALA 21 HA ALA 21 -1.208 -6.641 -4.017
145 1HB ALA 21 2HB ALA 21 -2.975 -6.695 -5.828
146 2HB ALA 21 3HB ALA 21 -2.860 -4.927 -5.924
147 3HB ALA 21 1HB ALA 21 -1.449 -5.930 -6.300
148 MB ALA 21 QB ALA 21 -2.428 -5.851 -6.017
149 H ILE 22 H ILE 22 -2.689 -3.347 -4.331
150 HA ILE 22 HA ILE 22 -0.092 -2.046 -4.357
151 HB ILE 22 HB ILE 22 -1.270 0.081 -3.791
152 1HG2 ILE 22 3HG2 ILE 22 -0.828 -0.712 -6.102
153 2HG2 ILE 22 1HG2 ILE 22 -2.427 -1.469 -6.154
154 3HG2 ILE 22 2HG2 ILE 22 -2.285 0.277 -6.026
155 1HD1 ILE 22 3HD1 ILE 22 -3.754 1.193 -4.369
156 2HD1 ILE 22 1HD1 ILE 22 -4.894 0.556 -3.151
157 3HD1 ILE 22 2HD1 ILE 22 -3.300 1.205 -2.664
158 MG ILE 22 QG2 ILE 22 -1.847 -0.635 -6.094
159 MD ILE 22 QD1 ILE 22 -3.983 0.984 -3.395
160 QG ILE 22 QG1 ILE 22 -3.272 -1.166 -2.553
161 H GLY 23 H GLY 23 -2.304 -2.717 -1.721
162 1HA GLY 23 3HA GLY 23 -1.949 -2.909 0.587
163 2HA GLY 23 2HA GLY 23 -0.974 -1.436 0.427
164 QA GLY 23 QA GLY 23 -0.974 -1.436 0.427
165 H ASN 24 H ASN 24 -0.536 -4.812 -0.683
166 HA ASN 24 HA ASN 24 1.613 -5.502 1.062
167 1HD2 ASN 24 1HD2 ASN 24 1.902 -8.139 1.375
168 2HD2 ASN 24 2HD2 ASN 24 3.296 -8.928 0.638
169 QB ASN 24 QB ASN 24 0.902 -6.587 -1.699
170 QD ASN 24 QD2 ASN 24 2.599 -8.533 1.007
171 H ILE 25 H ILE 25 1.730 -4.232 -2.292
172 HA ILE 25 HA ILE 25 4.565 -4.054 -2.540
173 HB ILE 25 HB ILE 25 2.269 -2.605 -3.850
174 1HG2 ILE 25 3HG2 ILE 25 5.239 -2.222 -4.441
175 2HG2 ILE 25 1HG2 ILE 25 3.902 -1.774 -5.547
176 3HG2 ILE 25 2HG2 ILE 25 4.073 -0.992 -3.969
177 1HD1 ILE 25 3HD1 ILE 25 1.523 -3.798 -5.926
178 2HD1 ILE 25 1HD1 ILE 25 3.057 -3.462 -6.777
179 3HD1 ILE 25 2HD1 ILE 25 2.499 -5.124 -6.596
180 MG ILE 25 QG2 ILE 25 4.405 -1.663 -4.653
181 MD ILE 25 QD1 ILE 25 2.360 -4.128 -6.433
182 QG ILE 25 QG1 ILE 25 2.792 -5.103 -4.235
183 H GLY 26 H GLY 26 2.242 -1.557 -1.354
184 1HA GLY 26 3HA GLY 26 2.573 0.320 -0.073
185 2HA GLY 26 2HA GLY 26 4.126 0.502 -0.878
186 QA GLY 26 QA GLY 26 4.126 0.502 -0.878
187 H ASN 27 H ASN 27 3.082 -2.182 1.289
188 HA ASN 27 HA ASN 27 4.855 -1.163 3.421
189 1HD2 ASN 27 1HD2 ASN 27 2.316 -0.406 3.347
190 2HD2 ASN 27 2HD2 ASN 27 2.227 0.296 4.966
191 QB ASN 27 QB ASN 27 3.896 -3.444 4.456
192 QD ASN 27 QD2 ASN 27 2.272 -0.055 4.156
193 H ASN 28 H ASN 28 5.140 -3.615 0.924
194 HA ASN 28 HA ASN 28 7.648 -4.689 1.889
195 1HD2 ASN 28 1HD2 ASN 28 7.587 -7.426 -0.501
196 2HD2 ASN 28 2HD2 ASN 28 9.253 -7.271 -1.005
197 QB ASN 28 QB ASN 28 6.762 -4.193 -0.994
198 QD ASN 28 QD2 ASN 28 8.420 -7.348 -0.753
199 H ALA 29 H ALA 29 6.908 -1.880 -0.213
200 HA ALA 29 HA ALA 29 9.481 -0.716 -0.228
201 1HB ALA 29 3HB ALA 29 6.843 0.773 -0.307
202 2HB ALA 29 1HB ALA 29 8.389 1.281 -0.978
203 3HB ALA 29 2HB ALA 29 7.522 -0.081 -1.701
204 MB ALA 29 QB ALA 29 7.585 0.658 -0.995
205 H ALA 30 H ALA 30 7.062 -0.605 2.338
206 HA ALA 30 HA ALA 30 8.807 1.188 3.894
207 1HB ALA 30 1HB ALA 30 6.306 1.615 3.630
208 2HB ALA 30 3HB ALA 30 6.867 1.564 5.314
209 3HB ALA 30 2HB ALA 30 6.020 0.167 4.604
210 MB ALA 30 QB ALA 30 6.398 1.115 4.516
211 H ALA 31 H ALA 31 8.848 -2.098 3.673
212 HA ALA 31 HA ALA 31 10.336 -2.057 6.287
213 1HB ALA 31 2HB ALA 31 9.885 -4.389 4.378
214 2HB ALA 31 3HB ALA 31 10.741 -4.396 5.945
215 3HB ALA 31 1HB ALA 31 8.980 -4.090 5.882
216 MB ALA 31 QB ALA 31 9.869 -4.291 5.401
217 H ASN 32 H ASN 32 10.788 -1.710 2.856
218 HA ASN 32 HA ASN 32 13.712 -1.752 3.025
219 1HD2 ASN 32 1HD2 ASN 32 10.985 -3.143 0.916
220 2HD2 ASN 32 2HD2 ASN 32 12.018 -4.216 -0.003
221 QB ASN 32 QB ASN 32 13.447 -0.516 0.842
222 QD ASN 32 QD2 ASN 32 11.501 -3.679 0.457
223 H TRP 33 H TRP 33 11.148 0.645 2.988
224 HA TRP 33 HA TRP 33 11.041 2.897 3.422
225 HD1 TRP 33 HD TRP 33 10.275 3.432 7.847
226 HE1 TRP 33 1HE TRP 33 8.171 4.913 7.812
227 HE3 TRP 33 3HE TRP 33 9.114 3.139 2.828
228 HZ2 TRP 33 2HZ TRP 33 6.110 5.552 5.980
229 HZ3 TRP 33 3HZ TRP 33 7.013 4.069 2.023
230 HH2 TRP 33 HH TRP 33 5.450 5.209 3.571
231 QB TRP 33 QB TRP 33 11.684 2.157 6.267
232 H ALA 34 H ALA 34 13.714 1.951 5.424
233 HA ALA 34 HA ALA 34 15.222 4.423 5.557
234 1HB ALA 34 2HB ALA 34 17.039 2.797 6.192
235 2HB ALA 34 3HB ALA 34 15.504 2.439 7.053
236 3HB ALA 34 1HB ALA 34 15.974 1.476 5.650
237 MB ALA 34 QB ALA 34 16.172 2.237 6.298
238 H THR 35 H THR 35 14.831 1.981 3.167
239 HA THR 35 HA THR 35 16.485 3.306 1.100
240 HB THR 35 HB THR 35 16.864 0.339 1.589
241 HG1 THR 35 1HG THR 35 18.335 2.441 2.736
242 1HG2 THR 35 2HG2 THR 35 17.586 1.300 -0.620
243 2HG2 THR 35 1HG2 THR 35 18.616 2.451 0.238
244 3HG2 THR 35 3HG2 THR 35 18.944 0.691 0.301
245 MG THR 35 QG2 THR 35 18.382 1.481 -0.027
246 H GLY 36 H GLY 36 13.764 3.309 1.355
247 1HA GLY 36 3HA GLY 36 11.805 3.022 0.255
248 2HA GLY 36 2HA GLY 36 12.170 1.301 0.146
249 QA GLY 36 QA GLY 36 12.170 1.301 0.146
250 H GLY 37 H GLY 37 13.675 0.694 -1.664
251 1HA GLY 37 3HA GLY 37 13.370 1.971 -4.279
252 2HA GLY 37 2HA GLY 37 14.562 0.747 -3.827
253 QA GLY 37 QA GLY 37 14.562 0.747 -3.827
254 H ASN 38 H ASN 38 15.346 2.447 -1.533
255 HA ASN 38 HA ASN 38 15.981 4.410 -0.635
256 1HD2 ASN 38 1HD2 ASN 38 18.227 6.771 -3.319
257 2HD2 ASN 38 2HD2 ASN 38 18.731 7.759 -1.950
258 QB ASN 38 QB ASN 38 17.642 4.600 -3.136
259 QD ASN 38 QD2 ASN 38 18.479 7.265 -2.634
260 H ALA 39 H ALA 39 14.965 5.004 -4.019
261 HA ALA 39 HA ALA 39 13.036 6.990 -3.028
262 1HB ALA 39 1HB ALA 39 15.047 7.558 -5.254
263 2HB ALA 39 3HB ALA 39 14.937 8.398 -3.686
264 3HB ALA 39 2HB ALA 39 13.644 8.552 -4.886
265 MB ALA 39 QB ALA 39 14.543 8.169 -4.609
266 H GLY 40 H GLY 40 11.480 5.428 -3.378
267 1HA GLY 40 3HA GLY 40 10.484 5.443 -6.184
268 2HA GLY 40 2HA GLY 40 9.537 5.315 -4.698
269 QA GLY 40 QA GLY 40 9.537 5.315 -4.698
270 H TRP 41 H TRP 41 11.430 3.014 -3.876
271 HA TRP 41 HA TRP 41 11.527 0.740 -3.932
272 HD1 TRP 41 HD TRP 41 10.527 -0.938 -2.161
273 HE1 TRP 41 1HE TRP 41 9.825 -3.427 -2.154
274 HE3 TRP 41 3HE TRP 41 7.609 -1.004 -6.358
275 HZ2 TRP 41 2HZ TRP 41 8.291 -5.196 -3.772
276 HZ3 TRP 41 3HZ TRP 41 6.522 -3.108 -7.100
277 HH2 TRP 41 HH TRP 41 6.882 -5.213 -5.852
278 QB TRP 41 QB TRP 41 8.744 0.860 -5.077
279 H ASN 42 H ASN 42 12.437 2.176 -6.433
280 HA ASN 42 HA ASN 42 12.191 0.298 -8.621
281 1HD2 ASN 42 1HD2 ASN 42 15.729 0.928 -9.385
282 2HD2 ASN 42 2HD2 ASN 42 15.546 0.938 -11.136
283 QB ASN 42 QB ASN 42 14.278 2.460 -8.105
284 QD ASN 42 QD2 ASN 42 15.637 0.933 -10.261
285 H LYS 43 H LYS 43 12.572 -1.664 -7.496
286 HA LYS 43 HA LYS 43 15.422 -2.574 -7.592
287 1HZ LYS 43 2HZ LYS 43 15.494 -2.411 -0.799
288 2HZ LYS 43 1HZ LYS 43 16.970 -2.938 -1.265
289 3HZ LYS 43 3HZ LYS 43 16.775 -1.433 -0.657
290 QB LYS 43 QB LYS 43 14.935 -4.107 -5.689
291 QD LYS 43 QD LYS 43 15.897 -3.576 -3.513
292 QG LYS 43 QG LYS 43 14.601 -1.189 -4.865
293 QE LYS 43 QE LYS 43 15.488 -0.706 -2.555
294 QZ LYS 43 QZ LYS 43 16.413 -2.260 -0.907
No H/Q in entry = 294
Start of MODEL 7
1 H1 LYS 1 3H LYS 1 -19.640 4.402 -1.200
2 H2 LYS 1 2H LYS 1 -18.212 4.863 -0.566
3 H3 LYS 1 1H LYS 1 -19.553 5.745 -0.265
4 HA LYS 1 HA LYS 1 -19.759 6.370 -2.578
5 1HZ LYS 1 1HZ LYS 1 -18.330 11.757 -2.874
6 2HZ LYS 1 3HZ LYS 1 -19.364 10.599 -2.386
7 3HZ LYS 1 2HZ LYS 1 -19.006 11.840 -1.398
8 QB LYS 1 QB LYS 1 -16.985 6.973 -1.444
9 QD LYS 1 QD LYS 1 -16.678 10.047 -3.459
10 QG LYS 1 QG LYS 1 -18.783 8.668 -3.259
11 QE LYS 1 QE LYS 1 -16.725 11.112 -1.168
12 QZ LYS 1 QZ LYS 1 -18.900 11.399 -2.220
13 H TYR 2 H TYR 2 -19.848 4.928 -4.375
14 HA TYR 2 HA TYR 2 -17.349 3.703 -5.283
15 HD1 TYR 2 1HD TYR 2 -17.007 1.761 -6.695
16 HD2 TYR 2 2HD TYR 2 -20.646 3.301 -8.387
17 HE1 TYR 2 1HE TYR 2 -16.341 0.854 -8.869
18 HE2 TYR 2 2HE TYR 2 -19.980 2.402 -10.629
19 HH TYR 2 HH TYR 2 -16.931 0.554 -11.073
20 QB TYR 2 QB TYR 2 -20.272 3.528 -6.100
21 QD TYR 2 QD TYR 2 -18.827 2.531 -7.541
22 QE TYR 2 QE TYR 2 -18.160 1.628 -9.749
23 QR TYR 2 QR TYR 2 -18.494 2.079 -8.645
24 H TYR 3 H TYR 3 -16.037 5.129 -6.246
25 HA TYR 3 HA TYR 3 -16.737 7.627 -7.279
26 HD1 TYR 3 1HD TYR 3 -13.968 5.981 -4.863
27 HD2 TYR 3 2HD TYR 3 -14.689 9.562 -7.200
28 HE1 TYR 3 1HE TYR 3 -13.267 7.405 -2.955
29 HE2 TYR 3 2HE TYR 3 -14.015 10.953 -5.269
30 HH TYR 3 HH TYR 3 -13.149 10.924 -3.127
31 QB TYR 3 QB TYR 3 -14.314 7.374 -8.285
32 QD TYR 3 QD TYR 3 -14.328 7.771 -6.032
33 QE TYR 3 QE TYR 3 -13.641 9.179 -4.112
34 QR TYR 3 QR TYR 3 -13.985 8.475 -5.072
35 H GLY 4 H GLY 4 -17.460 4.792 -8.929
36 1HA GLY 4 3HA GLY 4 -18.073 6.370 -11.360
37 2HA GLY 4 2HA GLY 4 -18.801 4.856 -10.849
38 QA GLY 4 QA GLY 4 -18.801 4.856 -10.849
39 H ASN 5 H ASN 5 -15.328 5.082 -11.003
40 HA ASN 5 HA ASN 5 -15.161 3.619 -13.573
41 1HD2 ASN 5 1HD2 ASN 5 -13.531 4.627 -15.369
42 2HD2 ASN 5 2HD2 ASN 5 -12.094 3.675 -15.693
43 QB ASN 5 QB ASN 5 -12.945 4.743 -11.810
44 QD ASN 5 QD2 ASN 5 -12.812 4.151 -15.531
45 H GLY 6 H GLY 6 -14.159 1.049 -10.708
46 1HA GLY 6 3HA GLY 6 -15.383 3.181 -9.454
47 2HA GLY 6 2HA GLY 6 -13.763 3.791 -9.826
48 QA GLY 6 QA GLY 6 -13.763 3.791 -9.826
49 H VAL 7 H VAL 7 -13.830 3.990 -7.411
50 HA VAL 7 HA VAL 7 -11.963 1.929 -6.663
51 HB VAL 7 HB VAL 7 -12.345 4.761 -5.683
52 1HG1 VAL 7 3HG1 VAL 7 -10.117 2.727 -5.390
53 2HG1 VAL 7 1HG1 VAL 7 -9.857 4.473 -5.174
54 3HG1 VAL 7 2HG1 VAL 7 -11.004 3.617 -4.128
55 1HG2 VAL 7 3HG2 VAL 7 -10.575 3.683 -7.912
56 2HG2 VAL 7 1HG2 VAL 7 -11.902 4.852 -8.076
57 3HG2 VAL 7 2HG2 VAL 7 -10.440 5.306 -7.205
58 MG1 VAL 7 QG1 VAL 7 -10.326 3.605 -4.898
59 MG2 VAL 7 QG2 VAL 7 -10.972 4.614 -7.731
60 QG VAL 7 QQG VAL 7 -10.649 4.110 -6.314
61 H HIS 8 H HIS 8 -15.050 2.692 -5.499
62 HA HIS 8 HA HIS 8 -16.253 2.265 -3.591
63 HD1 HIS 8 1HD HIS 8 -13.785 -0.806 -5.573
64 HD2 HIS 8 2HD HIS 8 -17.947 -0.384 -5.000
65 HE1 HIS 8 1HE HIS 8 -14.855 -1.536 -7.739
66 HE2 HIS 8 2HE HIS 8 -17.425 -1.408 -7.357
67 QB HIS 8 QB HIS 8 -16.298 0.068 -2.853
68 H CYS 9 H CYS 9 -15.443 4.135 -2.423
69 HA CYS 9 HA CYS 9 -13.614 3.451 -0.154
70 QB CYS 9 QB CYS 9 -13.956 6.249 -1.155
71 H GLY 10 H GLY 10 -13.815 4.920 1.715
72 1HA GLY 10 3HA GLY 10 -16.390 4.642 2.940
73 2HA GLY 10 2HA GLY 10 -16.089 6.334 2.506
74 QA GLY 10 QA GLY 10 -16.089 6.334 2.506
75 H LYS 11 H LYS 11 -15.469 3.888 4.760
76 HA LYS 11 HA LYS 11 -14.055 5.724 6.582
77 1HZ LYS 11 3HZ LYS 11 -18.318 3.439 11.100
78 2HZ LYS 11 2HZ LYS 11 -19.751 3.920 10.517
79 3HZ LYS 11 1HZ LYS 11 -19.090 2.554 9.968
80 QB LYS 11 QB LYS 11 -14.194 3.801 8.173
81 QD LYS 11 QD LYS 11 -16.188 3.590 9.650
82 QG LYS 11 QG LYS 11 -16.854 4.473 6.826
83 QE LYS 11 QE LYS 11 -18.818 4.345 8.302
84 QZ LYS 11 QZ LYS 11 -19.053 3.304 10.528
85 H HIS 12 H HIS 12 -13.172 2.553 5.237
86 HA HIS 12 HA HIS 12 -10.256 3.227 5.528
87 HD1 HIS 12 1HD HIS 12 -8.802 2.984 8.013
88 HD2 HIS 12 2HD HIS 12 -9.172 -0.877 6.361
89 HE1 HIS 12 1HE HIS 12 -6.557 1.791 8.455
90 HE2 HIS 12 2HE HIS 12 -6.805 -0.564 7.470
91 QB HIS 12 QB HIS 12 -11.410 0.590 6.461
92 H SER 13 H SER 13 -12.425 2.295 3.288
93 HA SER 13 HA SER 13 -11.148 -0.103 2.206
94 HG SER 13 HG SER 13 -14.745 1.482 1.391
95 QB SER 13 QB SER 13 -13.454 -0.159 2.226
96 H CYS 14 H CYS 14 -12.309 2.295 -0.009
97 HA CYS 14 HA CYS 14 -11.492 3.066 -2.010
98 QB CYS 14 QB CYS 14 -8.874 3.745 -1.809
99 H THR 15 H THR 15 -11.634 0.348 -1.670
100 HA THR 15 HA THR 15 -9.249 -1.155 -2.053
101 HB THR 15 HB THR 15 -12.142 -2.001 -2.473
102 HG1 THR 15 1HG THR 15 -11.950 -2.605 -0.267
103 1HG2 THR 15 2HG2 THR 15 -9.688 -3.631 -1.700
104 2HG2 THR 15 1HG2 THR 15 -11.353 -4.226 -1.601
105 3HG2 THR 15 3HG2 THR 15 -10.666 -3.812 -3.178
106 MG THR 15 QG2 THR 15 -10.569 -3.890 -2.159
107 H VAL 16 H VAL 16 -11.288 0.197 -4.524
108 HA VAL 16 HA VAL 16 -11.864 -0.435 -6.687
109 HB VAL 16 HB VAL 16 -9.077 -1.504 -7.113
110 1HG1 VAL 16 2HG1 VAL 16 -10.744 -1.903 -8.951
111 2HG1 VAL 16 3HG1 VAL 16 -11.070 -0.143 -8.994
112 3HG1 VAL 16 1HG1 VAL 16 -9.464 -0.817 -9.408
113 1HG2 VAL 16 2HG2 VAL 16 -8.805 0.733 -6.174
114 2HG2 VAL 16 3HG2 VAL 16 -8.346 0.653 -7.872
115 3HG2 VAL 16 1HG2 VAL 16 -9.909 1.384 -7.409
116 MG1 VAL 16 QG1 VAL 16 -10.426 -0.954 -9.118
117 MG2 VAL 16 QG2 VAL 16 -9.020 0.923 -7.151
118 QG VAL 16 QQG VAL 16 -9.723 -0.015 -8.135
119 H ASP 17 H ASP 17 -9.975 -3.196 -7.363
120 HA ASP 17 HA ASP 17 -11.316 -4.965 -5.417
121 QB ASP 17 QB ASP 17 -12.362 -5.244 -7.668
122 H TRP 18 H TRP 18 -8.589 -3.517 -5.855
123 HA TRP 18 HA TRP 18 -6.790 -5.818 -5.415
124 HD1 TRP 18 HD TRP 18 -4.929 -4.523 -9.642
125 HE1 TRP 18 1HE TRP 18 -4.179 -2.143 -10.231
126 HE3 TRP 18 3HE TRP 18 -7.201 -1.982 -5.829
127 HZ2 TRP 18 2HZ TRP 18 -4.023 0.384 -8.835
128 HZ3 TRP 18 3HZ TRP 18 -6.476 0.198 -5.240
129 HH2 TRP 18 HH TRP 18 -4.808 1.427 -6.617
130 QB TRP 18 QB TRP 18 -6.981 -5.334 -7.826
131 H GLY 19 H GLY 19 -7.741 -3.341 -3.847
132 1HA GLY 19 3HA GLY 19 -6.896 -2.037 -2.117
133 2HA GLY 19 2HA GLY 19 -5.507 -1.762 -3.122
134 QA GLY 19 QA GLY 19 -5.507 -1.762 -3.122
135 H THR 20 H THR 20 -6.321 -5.042 -2.185
136 HA THR 20 HA THR 20 -4.496 -5.493 -0.007
137 HB THR 20 HB THR 20 -4.664 -7.869 -0.787
138 HG1 THR 20 1HG THR 20 -6.185 -8.264 -2.397
139 1HG2 THR 20 1HG2 THR 20 -7.290 -6.376 -0.378
140 2HG2 THR 20 3HG2 THR 20 -7.076 -8.122 -0.225
141 3HG2 THR 20 2HG2 THR 20 -6.223 -7.030 0.890
142 MG THR 20 QG2 THR 20 -6.863 -7.176 0.096
143 H ALA 21 H ALA 21 -4.104 -5.599 -3.552
144 HA ALA 21 HA ALA 21 -1.428 -6.642 -3.655
145 1HB ALA 21 1HB ALA 21 -3.027 -6.450 -5.610
146 2HB ALA 21 2HB ALA 21 -2.682 -4.707 -5.665
147 3HB ALA 21 3HB ALA 21 -1.376 -5.865 -5.936
148 MB ALA 21 QB ALA 21 -2.362 -5.674 -5.737
149 H ILE 22 H ILE 22 -2.592 -3.232 -4.045
150 HA ILE 22 HA ILE 22 0.002 -2.173 -3.818
151 HB ILE 22 HB ILE 22 -1.949 -0.183 -2.961
152 1HG2 ILE 22 2HG2 ILE 22 -0.328 -0.646 -5.473
153 2HG2 ILE 22 3HG2 ILE 22 -1.147 0.881 -5.036
154 3HG2 ILE 22 1HG2 ILE 22 0.189 0.267 -4.040
155 1HD1 ILE 22 1HD1 ILE 22 -1.895 -2.449 -5.977
156 2HD1 ILE 22 2HD1 ILE 22 -3.606 -2.209 -6.335
157 3HD1 ILE 22 3HD1 ILE 22 -2.434 -0.945 -6.737
158 MG ILE 22 QG2 ILE 22 -0.429 0.167 -4.850
159 MD ILE 22 QD1 ILE 22 -2.645 -1.868 -6.350
160 QG ILE 22 QG1 ILE 22 -3.488 -0.135 -4.733
161 H GLY 23 H GLY 23 -2.304 -2.787 -1.292
162 1HA GLY 23 3HA GLY 23 -1.969 -2.976 1.055
163 2HA GLY 23 2HA GLY 23 -0.951 -1.535 0.896
164 QA GLY 23 QA GLY 23 -0.951 -1.535 0.896
165 H ASN 24 H ASN 24 -0.646 -4.925 -0.322
166 HA ASN 24 HA ASN 24 1.502 -5.682 1.358
167 1HD2 ASN 24 1HD2 ASN 24 2.535 -7.590 -2.292
168 2HD2 ASN 24 2HD2 ASN 24 3.576 -8.675 -1.398
169 QB ASN 24 QB ASN 24 0.608 -6.693 -1.377
170 QD ASN 24 QD2 ASN 24 3.056 -8.133 -1.845
171 H ILE 25 H ILE 25 1.599 -4.388 -1.992
172 HA ILE 25 HA ILE 25 4.442 -4.295 -2.256
173 HB ILE 25 HB ILE 25 2.255 -2.667 -3.578
174 1HG2 ILE 25 1HG2 ILE 25 5.214 -2.837 -4.341
175 2HG2 ILE 25 2HG2 ILE 25 3.968 -2.115 -5.355
176 3HG2 ILE 25 3HG2 ILE 25 4.363 -1.385 -3.794
177 1HD1 ILE 25 3HD1 ILE 25 1.183 -3.767 -5.531
178 2HD1 ILE 25 1HD1 ILE 25 2.679 -3.605 -6.492
179 3HD1 ILE 25 2HD1 ILE 25 1.913 -5.190 -6.274
180 MG ILE 25 QG2 ILE 25 4.515 -2.112 -4.497
181 MD ILE 25 QD1 ILE 25 1.925 -4.187 -6.099
182 QG ILE 25 QG1 ILE 25 2.388 -5.227 -3.924
183 H GLY 26 H GLY 26 2.196 -1.780 -1.081
184 1HA GLY 26 3HA GLY 26 2.479 0.109 0.132
185 2HA GLY 26 2HA GLY 26 4.119 0.250 -0.484
186 QA GLY 26 QA GLY 26 4.119 0.250 -0.484
187 H ASN 27 H ASN 27 3.389 -2.686 1.248
188 HA ASN 27 HA ASN 27 4.840 -1.657 3.670
189 1HD2 ASN 27 2HD2 ASN 27 3.160 -0.500 3.791
190 2HD2 ASN 27 1HD2 ASN 27 1.638 -0.432 4.655
191 QB ASN 27 QB ASN 27 3.902 -3.633 4.820
192 QD ASN 27 QD2 ASN 27 2.399 -0.466 4.223
193 H ASN 28 H ASN 28 5.259 -3.949 1.053
194 HA ASN 28 HA ASN 28 7.913 -4.785 1.934
195 1HD2 ASN 28 1HD2 ASN 28 8.867 -6.939 0.697
196 2HD2 ASN 28 2HD2 ASN 28 10.164 -6.700 -0.457
197 QB ASN 28 QB ASN 28 6.757 -4.453 -0.880
198 QD ASN 28 QD2 ASN 28 9.516 -6.820 0.120
199 H ALA 29 H ALA 29 6.603 -1.948 0.168
200 HA ALA 29 HA ALA 29 9.046 -0.466 -0.005
201 1HB ALA 29 2HB ALA 29 6.272 0.682 0.354
202 2HB ALA 29 3HB ALA 29 7.679 1.454 -0.397
203 3HB ALA 29 1HB ALA 29 6.918 0.076 -1.196
204 MB ALA 29 QB ALA 29 6.956 0.737 -0.413
205 H ALA 30 H ALA 30 6.622 -0.585 2.744
206 HA ALA 30 HA ALA 30 8.322 0.997 4.426
207 1HB ALA 30 1HB ALA 30 5.817 0.632 4.701
208 2HB ALA 30 2HB ALA 30 6.187 -0.977 5.348
209 3HB ALA 30 3HB ALA 30 6.780 0.468 6.183
210 MB ALA 30 QB ALA 30 6.261 0.041 5.411
211 H ALA 31 H ALA 31 8.850 -2.359 3.655
212 HA ALA 31 HA ALA 31 10.830 -2.582 5.825
213 1HB ALA 31 3HB ALA 31 11.762 -4.414 4.546
214 2HB ALA 31 2HB ALA 31 10.792 -3.981 3.110
215 3HB ALA 31 1HB ALA 31 10.010 -4.595 4.572
216 MB ALA 31 QB ALA 31 10.854 -4.330 4.076
217 H ASN 32 H ASN 32 10.827 -1.419 2.434
218 HA ASN 32 HA ASN 32 13.638 -0.657 2.356
219 1HD2 ASN 32 1HD2 ASN 32 11.016 -2.608 0.460
220 2HD2 ASN 32 2HD2 ASN 32 12.291 -3.517 -0.326
221 QB ASN 32 QB ASN 32 12.895 0.474 0.203
222 QD ASN 32 QD2 ASN 32 11.653 -3.062 0.067
223 H TRP 33 H TRP 33 10.906 0.960 3.651
224 HA TRP 33 HA TRP 33 11.500 3.683 3.674
225 HD1 TRP 33 HD TRP 33 8.348 3.434 7.112
226 HE1 TRP 33 1HE TRP 33 6.186 4.061 5.899
227 HE3 TRP 33 3HE TRP 33 10.035 3.182 2.288
228 HZ2 TRP 33 2HZ TRP 33 5.237 4.200 3.148
229 HZ3 TRP 33 3HZ TRP 33 8.467 3.521 0.388
230 HH2 TRP 33 HH TRP 33 6.071 3.939 0.824
231 QB TRP 33 QB TRP 33 10.858 3.413 6.296
232 H ALA 34 H ALA 34 12.932 1.118 5.615
233 HA ALA 34 HA ALA 34 14.943 2.905 6.914
234 1HB ALA 34 3HB ALA 34 12.827 2.863 8.201
235 2HB ALA 34 2HB ALA 34 14.125 2.046 9.083
236 3HB ALA 34 1HB ALA 34 12.874 1.085 8.260
237 MB ALA 34 QB ALA 34 13.276 1.998 8.514
238 H THR 35 H THR 35 14.078 -0.367 5.936
239 HA THR 35 HA THR 35 16.619 -1.430 7.075
240 HB THR 35 HB THR 35 13.951 -2.853 6.718
241 HG1 THR 35 1HG THR 35 15.114 -1.813 9.085
242 1HG2 THR 35 1HG2 THR 35 16.408 -3.605 8.356
243 2HG2 THR 35 3HG2 THR 35 14.846 -4.475 8.348
244 3HG2 THR 35 2HG2 THR 35 15.830 -4.467 6.902
245 MG THR 35 QG2 THR 35 15.695 -4.182 7.869
246 H GLY 36 H GLY 36 14.689 -1.392 4.173
247 1HA GLY 36 3HA GLY 36 14.937 -2.323 2.048
248 2HA GLY 36 2HA GLY 36 15.604 -3.733 2.860
249 QA GLY 36 QA GLY 36 15.604 -3.733 2.860
250 H GLY 37 H GLY 37 18.402 -1.101 1.504
251 1HA GLY 37 3HA GLY 37 15.697 0.004 2.205
252 2HA GLY 37 2HA GLY 37 16.831 0.686 1.061
253 QA GLY 37 QA GLY 37 16.831 0.686 1.061
254 H ASN 38 H ASN 38 18.182 -0.424 4.018
255 HA ASN 38 HA ASN 38 17.923 1.926 5.628
256 1HD2 ASN 38 1HD2 ASN 38 18.163 1.348 8.130
257 2HD2 ASN 38 2HD2 ASN 38 19.563 1.937 9.048
258 QB ASN 38 QB ASN 38 20.159 -0.180 5.568
259 QD ASN 38 QD2 ASN 38 18.863 1.642 8.589
260 H ALA 39 H ALA 39 20.375 1.020 3.223
261 HA ALA 39 HA ALA 39 22.157 3.209 3.649
262 1HB ALA 39 1HB ALA 39 22.853 1.094 2.647
263 2HB ALA 39 2HB ALA 39 21.798 1.369 1.250
264 3HB ALA 39 3HB ALA 39 23.184 2.418 1.510
265 MB ALA 39 QB ALA 39 22.612 1.627 1.802
266 H GLY 40 H GLY 40 19.087 3.309 2.211
267 1HA GLY 40 3HA GLY 40 19.766 5.501 0.289
268 2HA GLY 40 2HA GLY 40 18.569 5.774 1.539
269 QA GLY 40 QA GLY 40 18.569 5.774 1.539
270 H TRP 41 H TRP 41 16.908 3.765 1.602
271 HA TRP 41 HA TRP 41 15.067 2.863 0.728
272 HD1 TRP 41 HD TRP 41 13.471 4.442 2.359
273 HE1 TRP 41 1HE TRP 41 14.008 6.178 4.161
274 HE3 TRP 41 3HE TRP 41 16.651 7.391 -0.333
275 HZ2 TRP 41 2HZ TRP 41 15.630 8.543 4.412
276 HZ3 TRP 41 3HZ TRP 41 17.686 9.407 0.734
277 HH2 TRP 41 HH TRP 41 17.165 10.014 3.066
278 QB TRP 41 QB TRP 41 13.809 4.553 -0.436
279 H ASN 42 H ASN 42 17.489 1.960 -0.887
280 HA ASN 42 HA ASN 42 15.974 1.043 -3.300
281 1HD2 ASN 42 2HD2 ASN 42 19.295 3.486 -2.214
282 2HD2 ASN 42 1HD2 ASN 42 20.794 2.586 -2.015
283 QB ASN 42 QB ASN 42 17.708 2.815 -3.789
284 QD ASN 42 QD2 ASN 42 20.045 3.036 -2.114
285 H LYS 43 H LYS 43 17.019 -0.834 -4.353
286 HA LYS 43 HA LYS 43 18.001 -2.936 -2.510
287 1HZ LYS 43 1HZ LYS 43 11.950 -5.379 -3.119
288 2HZ LYS 43 3HZ LYS 43 11.888 -5.787 -4.691
289 3HZ LYS 43 2HZ LYS 43 12.436 -6.866 -3.600
290 QB LYS 43 QB LYS 43 15.397 -3.117 -4.043
291 QD LYS 43 QD LYS 43 14.117 -4.910 -1.916
292 QG LYS 43 QG LYS 43 16.611 -5.036 -2.006
293 QE LYS 43 QE LYS 43 14.328 -5.881 -4.821
294 QZ LYS 43 QZ LYS 43 12.091 -6.011 -3.804
No H/Q in entry = 294
Start of MODEL 8
1 H1 LYS 1 3H LYS 1 -21.061 3.698 -4.941
2 H2 LYS 1 2H LYS 1 -19.922 4.720 -5.458
3 H3 LYS 1 1H LYS 1 -21.488 5.214 -5.361
4 HA LYS 1 HA LYS 1 -22.158 3.759 -7.148
5 1HZ LYS 1 3HZ LYS 1 -21.252 7.320 -12.628
6 2HZ LYS 1 2HZ LYS 1 -19.622 7.250 -12.599
7 3HZ LYS 1 1HZ LYS 1 -20.454 6.408 -13.710
8 QB LYS 1 QB LYS 1 -19.720 5.486 -7.749
9 QD LYS 1 QD LYS 1 -19.630 6.482 -10.098
10 QG LYS 1 QG LYS 1 -21.678 4.269 -9.707
11 QE LYS 1 QE LYS 1 -21.402 4.948 -12.037
12 QZ LYS 1 QZ LYS 1 -20.443 6.992 -12.979
13 H TYR 2 H TYR 2 -21.981 1.799 -8.094
14 HA TYR 2 HA TYR 2 -19.539 0.206 -8.163
15 HD1 TYR 2 1HD TYR 2 -20.919 -0.847 -11.527
16 HD2 TYR 2 2HD TYR 2 -21.356 -2.906 -7.751
17 HE1 TYR 2 1HE TYR 2 -20.613 -2.987 -12.655
18 HE2 TYR 2 2HE TYR 2 -21.023 -5.063 -8.894
19 HH TYR 2 HH TYR 2 -20.669 -6.119 -10.885
20 QB TYR 2 QB TYR 2 -22.336 0.002 -9.340
21 QD TYR 2 QD TYR 2 -21.138 -1.877 -9.639
22 QE TYR 2 QE TYR 2 -20.818 -4.025 -10.775
23 QR TYR 2 QR TYR 2 -20.978 -2.951 -10.207
24 H TYR 3 H TYR 3 -17.980 1.011 -9.465
25 HA TYR 3 HA TYR 3 -18.603 2.798 -11.722
26 HD1 TYR 3 1HD TYR 3 -16.795 5.255 -11.532
27 HD2 TYR 3 2HD TYR 3 -16.567 2.539 -8.177
28 HE1 TYR 3 1HE TYR 3 -16.881 7.186 -9.967
29 HE2 TYR 3 2HE TYR 3 -16.624 4.477 -6.619
30 HH TYR 3 HH TYR 3 -16.816 7.851 -7.765
31 QB TYR 3 QB TYR 3 -16.129 2.973 -11.853
32 QD TYR 3 QD TYR 3 -16.681 3.897 -9.855
33 QE TYR 3 QE TYR 3 -16.752 5.831 -8.293
34 QR TYR 3 QR TYR 3 -16.717 4.864 -9.074
35 H GLY 4 H GLY 4 -17.695 -0.563 -11.401
36 1HA GLY 4 3HA GLY 4 -17.180 -0.857 -14.350
37 2HA GLY 4 2HA GLY 4 -18.404 -1.844 -13.544
38 QA GLY 4 QA GLY 4 -18.404 -1.844 -13.544
39 H ASN 5 H ASN 5 -16.748 -3.337 -14.694
40 HA ASN 5 HA ASN 5 -15.651 -5.286 -14.357
41 1HD2 ASN 5 1HD2 ASN 5 -13.733 -6.190 -15.845
42 2HD2 ASN 5 2HD2 ASN 5 -12.380 -7.035 -15.070
43 QB ASN 5 QB ASN 5 -13.439 -3.347 -13.615
44 QD ASN 5 QD2 ASN 5 -13.056 -6.612 -15.458
45 H GLY 6 H GLY 6 -13.742 -4.033 -11.670
46 1HA GLY 6 3HA GLY 6 -13.413 -5.586 -9.731
47 2HA GLY 6 2HA GLY 6 -15.150 -5.870 -9.727
48 QA GLY 6 QA GLY 6 -15.150 -5.870 -9.727
49 H VAL 7 H VAL 7 -14.773 -2.597 -10.392
50 HA VAL 7 HA VAL 7 -14.123 -1.564 -7.782
51 HB VAL 7 HB VAL 7 -15.222 -0.089 -10.186
52 1HG1 VAL 7 1HG1 VAL 7 -14.971 1.017 -7.903
53 2HG1 VAL 7 2HG1 VAL 7 -13.231 0.663 -8.017
54 3HG1 VAL 7 3HG1 VAL 7 -13.996 1.760 -9.199
55 1HG2 VAL 7 1HG2 VAL 7 -12.305 -0.837 -9.799
56 2HG2 VAL 7 2HG2 VAL 7 -13.358 -1.265 -11.170
57 3HG2 VAL 7 3HG2 VAL 7 -12.905 0.417 -10.875
58 MG1 VAL 7 QG1 VAL 7 -14.066 1.146 -8.373
59 MG2 VAL 7 QG2 VAL 7 -12.856 -0.562 -10.614
60 QG VAL 7 QQG VAL 7 -13.461 0.292 -9.494
61 H HIS 8 H HIS 8 -15.711 -1.899 -6.299
62 HA HIS 8 HA HIS 8 -18.586 -1.284 -6.876
63 HD1 HIS 8 1HD HIS 8 -18.124 -2.756 -8.885
64 HD2 HIS 8 2HD HIS 8 -17.768 -6.081 -6.321
65 HE1 HIS 8 1HE HIS 8 -17.688 -4.791 -10.394
66 HE2 HIS 8 2HE HIS 8 -17.527 -6.835 -8.817
67 QB HIS 8 QB HIS 8 -19.168 -3.317 -5.617
68 H CYS 9 H CYS 9 -17.989 0.821 -5.892
69 HA CYS 9 HA CYS 9 -17.464 0.870 -2.987
70 QB CYS 9 QB CYS 9 -17.482 3.283 -3.234
71 H GLY 10 H GLY 10 -19.367 0.009 -1.929
72 1HA GLY 10 3HA GLY 10 -22.085 0.665 -2.602
73 2HA GLY 10 2HA GLY 10 -21.487 1.717 -1.318
74 QA GLY 10 QA GLY 10 -21.487 1.717 -1.318
75 H LYS 11 H LYS 11 -22.325 -1.559 -2.184
76 HA LYS 11 HA LYS 11 -22.724 -2.467 0.584
77 1HZ LYS 11 1HZ LYS 11 -26.302 -6.858 -2.313
78 2HZ LYS 11 3HZ LYS 11 -26.843 -7.236 -0.802
79 3HZ LYS 11 2HZ LYS 11 -27.597 -6.098 -1.674
80 QB LYS 11 QB LYS 11 -23.167 -4.683 -0.448
81 QD LYS 11 QD LYS 11 -25.126 -4.674 -2.785
82 QG LYS 11 QG LYS 11 -24.594 -2.381 -1.888
83 QE LYS 11 QE LYS 11 -26.277 -5.022 0.015
84 QZ LYS 11 QZ LYS 11 -26.914 -6.731 -1.596
85 H HIS 12 H HIS 12 -20.428 -3.230 -1.951
86 HA HIS 12 HA HIS 12 -18.370 -4.359 -0.137
87 HD1 HIS 12 1HD HIS 12 -16.079 -6.262 -2.740
88 HD2 HIS 12 2HD HIS 12 -20.178 -6.325 -1.861
89 HE1 HIS 12 1HE HIS 12 -16.788 -8.763 -2.704
90 HE2 HIS 12 2HE HIS 12 -19.297 -8.768 -2.132
91 QB HIS 12 QB HIS 12 -17.032 -3.998 -2.431
92 H SER 13 H SER 13 -16.198 -3.361 -0.210
93 HA SER 13 HA SER 13 -16.317 -0.372 0.170
94 HG SER 13 HG SER 13 -16.424 -2.384 2.288
95 QB SER 13 QB SER 13 -14.267 -0.673 1.548
96 H CYS 14 H CYS 14 -16.302 -0.673 -2.335
97 HA CYS 14 HA CYS 14 -15.369 -0.122 -4.333
98 QB CYS 14 QB CYS 14 -13.172 0.903 -4.423
99 H THR 15 H THR 15 -13.264 -2.280 -2.446
100 HA THR 15 HA THR 15 -12.187 -4.184 -2.938
101 HB THR 15 HB THR 15 -14.536 -4.460 -4.807
102 HG1 THR 15 1HG THR 15 -13.877 -5.343 -2.225
103 1HG2 THR 15 1HG2 THR 15 -12.476 -6.543 -4.044
104 2HG2 THR 15 3HG2 THR 15 -14.155 -6.980 -4.436
105 3HG2 THR 15 2HG2 THR 15 -13.161 -6.181 -5.655
106 MG THR 15 QG2 THR 15 -13.264 -6.568 -4.712
107 H VAL 16 H VAL 16 -13.035 -3.573 -6.342
108 HA VAL 16 HA VAL 16 -11.902 -3.937 -8.262
109 HB VAL 16 HB VAL 16 -9.322 -3.041 -7.031
110 1HG1 VAL 16 3HG1 VAL 16 -10.641 -2.505 -9.737
111 2HG1 VAL 16 1HG1 VAL 16 -9.054 -1.894 -9.222
112 3HG1 VAL 16 2HG1 VAL 16 -9.264 -3.610 -9.450
113 1HG2 VAL 16 1HG2 VAL 16 -11.648 -1.205 -7.677
114 2HG2 VAL 16 2HG2 VAL 16 -10.771 -1.394 -6.132
115 3HG2 VAL 16 3HG2 VAL 16 -9.963 -0.697 -7.537
116 MG1 VAL 16 QG1 VAL 16 -9.653 -2.670 -9.470
117 MG2 VAL 16 QG2 VAL 16 -10.794 -1.099 -7.115
118 QG VAL 16 QQG VAL 16 -10.224 -1.884 -8.293
119 H ASP 17 H ASP 17 -11.225 -5.844 -5.669
120 HA ASP 17 HA ASP 17 -10.144 -7.725 -5.125
121 QB ASP 17 QB ASP 17 -9.886 -8.366 -8.071
122 H TRP 18 H TRP 18 -8.727 -5.169 -5.756
123 HA TRP 18 HA TRP 18 -5.936 -6.123 -6.196
124 HD1 TRP 18 HD TRP 18 -4.897 -4.516 -9.741
125 HE1 TRP 18 1HE TRP 18 -3.943 -2.124 -10.014
126 HE3 TRP 18 3HE TRP 18 -7.545 -2.330 -6.069
127 HZ2 TRP 18 2HZ TRP 18 -4.255 0.489 -8.554
128 HZ3 TRP 18 3HZ TRP 18 -7.123 -0.076 -5.360
129 HH2 TRP 18 HH TRP 18 -5.393 1.344 -6.535
130 QB TRP 18 QB TRP 18 -7.830 -4.362 -7.616
131 H GLY 19 H GLY 19 -7.784 -4.290 -4.239
132 1HA GLY 19 3HA GLY 19 -7.328 -2.723 -2.488
133 2HA GLY 19 2HA GLY 19 -5.974 -2.163 -3.424
134 QA GLY 19 QA GLY 19 -5.974 -2.163 -3.424
135 H THR 20 H THR 20 -6.342 -5.520 -2.408
136 HA THR 20 HA THR 20 -4.422 -5.607 -0.248
137 HB THR 20 HB THR 20 -4.353 -8.060 -0.851
138 HG1 THR 20 1HG THR 20 -5.861 -8.716 -2.407
139 1HG2 THR 20 3HG2 THR 20 -5.971 -7.143 0.799
140 2HG2 THR 20 2HG2 THR 20 -7.143 -6.879 -0.533
141 3HG2 THR 20 1HG2 THR 20 -6.607 -8.519 -0.108
142 MG THR 20 QG2 THR 20 -6.574 -7.514 0.053
143 H ALA 21 H ALA 21 -4.050 -5.706 -3.792
144 HA ALA 21 HA ALA 21 -1.308 -6.530 -3.907
145 1HB ALA 21 1HB ALA 21 -2.890 -6.313 -5.892
146 2HB ALA 21 2HB ALA 21 -2.576 -4.549 -5.861
147 3HB ALA 21 3HB ALA 21 -1.262 -5.680 -6.124
148 MB ALA 21 QB ALA 21 -2.243 -5.514 -5.959
149 H ILE 22 H ILE 22 -2.715 -3.190 -4.103
150 HA ILE 22 HA ILE 22 -0.264 -1.897 -3.779
151 HB ILE 22 HB ILE 22 -2.460 -0.288 -2.712
152 1HG2 ILE 22 3HG2 ILE 22 -0.712 -0.172 -5.172
153 2HG2 ILE 22 1HG2 ILE 22 -1.730 1.169 -4.572
154 3HG2 ILE 22 2HG2 ILE 22 -0.380 0.588 -3.593
155 1HD1 ILE 22 3HD1 ILE 22 -2.035 -2.167 -5.913
156 2HD1 ILE 22 1HD1 ILE 22 -3.760 -2.117 -6.344
157 3HD1 ILE 22 2HD1 ILE 22 -2.731 -0.675 -6.576
158 MG ILE 22 QG2 ILE 22 -0.941 0.528 -4.445
159 MD ILE 22 QD1 ILE 22 -2.842 -1.653 -6.277
160 QG ILE 22 QG1 ILE 22 -3.895 -0.141 -4.630
161 H GLY 23 H GLY 23 -2.576 -2.809 -1.302
162 1HA GLY 23 3HA GLY 23 -2.269 -3.332 0.940
163 2HA GLY 23 2HA GLY 23 -1.447 -1.773 1.059
164 QA GLY 23 QA GLY 23 -1.447 -1.773 1.059
165 H ASN 24 H ASN 24 -0.721 -4.965 -0.373
166 HA ASN 24 HA ASN 24 1.475 -5.645 1.330
167 1HD2 ASN 24 1HD2 ASN 24 2.601 -7.493 -2.341
168 2HD2 ASN 24 2HD2 ASN 24 3.703 -8.488 -1.402
169 QB ASN 24 QB ASN 24 0.680 -6.641 -1.447
170 QD ASN 24 QD2 ASN 24 3.152 -7.990 -1.872
171 H ILE 25 H ILE 25 1.509 -4.356 -1.991
172 HA ILE 25 HA ILE 25 4.336 -4.127 -2.350
173 HB ILE 25 HB ILE 25 2.025 -2.605 -3.564
174 1HG2 ILE 25 2HG2 ILE 25 5.001 -2.537 -4.379
175 2HG2 ILE 25 3HG2 ILE 25 3.646 -1.865 -5.351
176 3HG2 ILE 25 1HG2 ILE 25 4.053 -1.172 -3.801
177 1HD1 ILE 25 2HD1 ILE 25 1.017 -3.681 -5.517
178 2HD1 ILE 25 3HD1 ILE 25 2.496 -3.437 -6.479
179 3HD1 ILE 25 1HD1 ILE 25 1.833 -5.065 -6.298
180 MG ILE 25 QG2 ILE 25 4.233 -1.858 -4.510
181 MD ILE 25 QD1 ILE 25 1.782 -4.061 -6.098
182 QG ILE 25 QG1 ILE 25 2.330 -5.129 -3.956
183 H GLY 26 H GLY 26 2.017 -1.784 -1.001
184 1HA GLY 26 3HA GLY 26 2.205 -0.055 0.445
185 2HA GLY 26 2HA GLY 26 3.586 0.451 -0.516
186 QA GLY 26 QA GLY 26 3.586 0.451 -0.516
187 H ASN 27 H ASN 27 2.769 -2.005 2.014
188 HA ASN 27 HA ASN 27 5.002 -1.046 3.643
189 1HD2 ASN 27 1HD2 ASN 27 4.565 -0.478 5.841
190 2HD2 ASN 27 2HD2 ASN 27 5.461 -1.285 7.107
191 QB ASN 27 QB ASN 27 3.398 -3.522 4.247
192 QD ASN 27 QD2 ASN 27 5.013 -0.882 6.474
193 H ASN 28 H ASN 28 4.993 -3.510 1.127
194 HA ASN 28 HA ASN 28 7.447 -4.737 1.930
195 1HD2 ASN 28 1HD2 ASN 28 8.252 -4.104 -2.102
196 2HD2 ASN 28 2HD2 ASN 28 9.461 -5.392 -2.015
197 QB ASN 28 QB ASN 28 6.365 -4.176 -0.846
198 QD ASN 28 QD2 ASN 28 8.856 -4.748 -2.058
199 H ALA 29 H ALA 29 6.920 -1.869 -0.233
200 HA ALA 29 HA ALA 29 9.658 -1.040 -0.405
201 1HB ALA 29 2HB ALA 29 7.108 0.625 -0.627
202 2HB ALA 29 3HB ALA 29 8.751 1.090 -1.143
203 3HB ALA 29 1HB ALA 29 7.914 -0.240 -1.951
204 MB ALA 29 QB ALA 29 7.924 0.492 -1.240
205 H ALA 30 H ALA 30 7.029 0.025 1.834
206 HA ALA 30 HA ALA 30 8.839 1.573 3.470
207 1HB ALA 30 2HB ALA 30 6.399 2.055 3.200
208 2HB ALA 30 1HB ALA 30 6.867 1.945 4.891
209 3HB ALA 30 3HB ALA 30 6.034 0.586 4.143
210 MB ALA 30 QB ALA 30 6.433 1.528 4.078
211 H ALA 31 H ALA 31 8.741 -1.844 3.285
212 HA ALA 31 HA ALA 31 9.951 -1.917 6.014
213 1HB ALA 31 3HB ALA 31 9.220 -4.193 4.128
214 2HB ALA 31 1HB ALA 31 9.907 -4.354 5.775
215 3HB ALA 31 2HB ALA 31 8.286 -3.667 5.552
216 MB ALA 31 QB ALA 31 9.138 -4.071 5.152
217 H ASN 32 H ASN 32 10.930 -1.792 2.681
218 HA ASN 32 HA ASN 32 13.760 -2.237 3.317
219 1HD2 ASN 32 1HD2 ASN 32 13.899 -3.639 1.612
220 2HD2 ASN 32 2HD2 ASN 32 13.135 -4.077 0.090
221 QB ASN 32 QB ASN 32 14.258 -0.776 1.425
222 QD ASN 32 QD2 ASN 32 13.517 -3.858 0.851
223 H TRP 33 H TRP 33 11.600 0.606 3.470
224 HA TRP 33 HA TRP 33 13.405 2.302 5.079
225 HD1 TRP 33 HD TRP 33 13.161 4.946 5.303
226 HE1 TRP 33 1HE TRP 33 12.647 5.785 7.749
227 HE3 TRP 33 3HE TRP 33 8.776 2.800 5.735
228 HZ2 TRP 33 2HZ TRP 33 11.125 4.393 9.824
229 HZ3 TRP 33 3HZ TRP 33 7.978 2.040 7.987
230 HH2 TRP 33 HH TRP 33 9.372 2.524 9.888
231 QB TRP 33 QB TRP 33 10.465 2.523 4.372
232 H ALA 34 H ALA 34 10.740 0.175 6.267
233 HA ALA 34 HA ALA 34 11.312 1.055 8.922
234 1HB ALA 34 1HB ALA 34 10.024 -1.590 8.134
235 2HB ALA 34 3HB ALA 34 9.146 -0.035 8.215
236 3HB ALA 34 2HB ALA 34 9.906 -0.753 9.675
237 MB ALA 34 QB ALA 34 9.692 -0.793 8.675
238 H THR 35 H THR 35 12.712 -1.501 6.982
239 HA THR 35 HA THR 35 14.391 -2.439 9.292
240 HB THR 35 HB THR 35 12.903 -4.256 7.343
241 HG1 THR 35 1HG THR 35 11.709 -4.708 9.273
242 1HG2 THR 35 1HG2 THR 35 14.384 -4.835 9.928
243 2HG2 THR 35 3HG2 THR 35 13.510 -6.014 8.933
244 3HG2 THR 35 2HG2 THR 35 14.972 -5.241 8.291
245 MG THR 35 QG2 THR 35 14.289 -5.363 9.051
246 H GLY 36 H GLY 36 14.126 -3.249 5.750
247 1HA GLY 36 3HA GLY 36 15.764 -4.016 4.332
248 2HA GLY 36 2HA GLY 36 16.656 -4.482 5.780
249 QA GLY 36 QA GLY 36 16.656 -4.482 5.780
250 H GLY 37 H GLY 37 15.930 -1.126 5.010
251 1HA GLY 37 3HA GLY 37 17.574 0.164 3.611
252 2HA GLY 37 2HA GLY 37 18.826 -0.460 4.704
253 QA GLY 37 QA GLY 37 18.826 -0.460 4.704
254 H ASN 38 H ASN 38 16.671 -0.146 6.915
255 HA ASN 38 HA ASN 38 15.593 2.390 7.140
256 1HD2 ASN 38 1HD2 ASN 38 13.790 2.698 8.885
257 2HD2 ASN 38 2HD2 ASN 38 14.119 3.581 10.386
258 QB ASN 38 QB ASN 38 16.708 0.561 9.327
259 QD ASN 38 QD2 ASN 38 13.955 3.139 9.635
260 H ALA 39 H ALA 39 18.823 1.511 8.328
261 HA ALA 39 HA ALA 39 19.501 4.432 8.529
262 1HB ALA 39 1HB ALA 39 21.161 3.742 10.197
263 2HB ALA 39 2HB ALA 39 19.534 3.160 10.631
264 3HB ALA 39 3HB ALA 39 20.731 2.039 9.953
265 MB ALA 39 QB ALA 39 20.475 2.980 10.260
266 H GLY 40 H GLY 40 19.881 2.102 6.256
267 1HA GLY 40 3HA GLY 40 22.070 1.131 5.519
268 2HA GLY 40 2HA GLY 40 22.782 2.732 5.642
269 QA GLY 40 QA GLY 40 22.782 2.732 5.642
270 H TRP 41 H TRP 41 19.564 2.641 4.248
271 HA TRP 41 HA TRP 41 20.712 3.116 1.525
272 HD1 TRP 41 HD TRP 41 21.693 0.847 1.482
273 HE1 TRP 41 1HE TRP 41 21.887 -1.701 1.361
274 HE3 TRP 41 3HE TRP 41 16.719 -0.331 1.227
275 HZ2 TRP 41 2HZ TRP 41 20.105 -3.976 1.205
276 HZ3 TRP 41 3HZ TRP 41 15.991 -2.684 1.077
277 HH2 TRP 41 HH TRP 41 17.666 -4.512 1.089
278 QB TRP 41 QB TRP 41 18.660 2.152 0.566
279 H ASN 42 H ASN 42 19.336 4.485 0.161
280 HA ASN 42 HA ASN 42 18.584 6.532 -0.264
281 1HD2 ASN 42 1HD2 ASN 42 15.595 3.588 0.838
282 2HD2 ASN 42 2HD2 ASN 42 15.009 3.859 2.482
283 QB ASN 42 QB ASN 42 16.593 5.188 -0.345
284 QD ASN 42 QD2 ASN 42 15.302 3.724 1.660
285 H LYS 43 H LYS 43 20.207 6.581 2.128
286 HA LYS 43 HA LYS 43 20.075 9.437 2.598
287 1HZ LYS 43 2HZ LYS 43 17.777 5.481 4.673
288 2HZ LYS 43 1HZ LYS 43 17.177 4.916 6.098
289 3HZ LYS 43 3HZ LYS 43 16.183 5.553 4.955
290 QB LYS 43 QB LYS 43 18.473 8.687 4.265
291 QD LYS 43 QD LYS 43 18.743 8.155 7.049
292 QG LYS 43 QG LYS 43 20.747 7.359 5.783
293 QE LYS 43 QE LYS 43 16.974 7.751 5.328
294 QZ LYS 43 QZ LYS 43 17.046 5.316 5.242
No H/Q in entry = 294
Start of MODEL 9
1 H1 LYS 1 2H LYS 1 -13.648 8.848 -0.641
2 H2 LYS 1 1H LYS 1 -14.705 10.042 -0.247
3 H3 LYS 1 3H LYS 1 -15.238 8.584 -0.736
4 HA LYS 1 HA LYS 1 -15.527 10.098 -2.539
5 1HZ LYS 1 1HZ LYS 1 -14.658 15.431 -3.273
6 2HZ LYS 1 3HZ LYS 1 -15.521 14.600 -2.154
7 3HZ LYS 1 2HZ LYS 1 -14.995 16.116 -1.838
8 QB LYS 1 QB LYS 1 -13.512 11.046 -3.663
9 QD LYS 1 QD LYS 1 -13.059 13.474 -3.431
10 QG LYS 1 QG LYS 1 -13.864 12.058 -0.822
11 QE LYS 1 QE LYS 1 -12.686 15.426 -1.814
12 QZ LYS 1 QZ LYS 1 -15.058 15.382 -2.422
13 H TYR 2 H TYR 2 -16.042 8.747 -4.181
14 HA TYR 2 HA TYR 2 -14.304 6.644 -5.158
15 HD1 TYR 2 1HD TYR 2 -15.720 7.821 -8.484
16 HD2 TYR 2 2HD TYR 2 -16.762 4.372 -6.108
17 HE1 TYR 2 1HE TYR 2 -15.600 6.408 -10.490
18 HE2 TYR 2 2HE TYR 2 -16.643 2.955 -8.061
19 HH TYR 2 HH TYR 2 -16.304 2.900 -10.354
20 QB TYR 2 QB TYR 2 -16.896 7.920 -6.094
21 QD TYR 2 QD TYR 2 -16.241 6.096 -7.296
22 QE TYR 2 QE TYR 2 -16.122 4.682 -9.275
23 QR TYR 2 QR TYR 2 -16.181 5.389 -8.286
24 H TYR 3 H TYR 3 -13.106 6.882 -7.111
25 HA TYR 3 HA TYR 3 -12.658 9.666 -8.121
26 HD1 TYR 3 1HD TYR 3 -10.857 11.295 -7.499
27 HD2 TYR 3 2HD TYR 3 -10.636 8.003 -4.683
28 HE1 TYR 3 1HE TYR 3 -10.337 12.880 -5.659
29 HE2 TYR 3 2HE TYR 3 -10.057 9.631 -2.889
30 HH TYR 3 HH TYR 3 -9.627 13.081 -3.536
31 QB TYR 3 QB TYR 3 -10.224 8.900 -8.196
32 QD TYR 3 QD TYR 3 -10.746 9.649 -6.091
33 QE TYR 3 QE TYR 3 -10.197 11.255 -4.274
34 QR TYR 3 QR TYR 3 -10.472 10.452 -5.182
35 H GLY 4 H GLY 4 -11.843 9.896 -10.248
36 1HA GLY 4 3HA GLY 4 -12.035 9.541 -12.470
37 2HA GLY 4 2HA GLY 4 -13.225 8.308 -12.092
38 QA GLY 4 QA GLY 4 -13.225 8.308 -12.092
39 H ASN 5 H ASN 5 -9.995 7.777 -10.947
40 HA ASN 5 HA ASN 5 -9.157 6.038 -13.136
41 1HD2 ASN 5 1HD2 ASN 5 -5.845 6.376 -9.922
42 2HD2 ASN 5 2HD2 ASN 5 -6.652 6.472 -8.353
43 QB ASN 5 QB ASN 5 -7.507 7.332 -11.824
44 QD ASN 5 QD2 ASN 5 -6.248 6.424 -9.138
45 H GLY 6 H GLY 6 -11.398 5.646 -10.610
46 1HA GLY 6 3HA GLY 6 -11.431 2.710 -10.970
47 2HA GLY 6 2HA GLY 6 -12.813 3.727 -10.593
48 QA GLY 6 QA GLY 6 -12.813 3.727 -10.593
49 H VAL 7 H VAL 7 -10.305 4.807 -8.618
50 HA VAL 7 HA VAL 7 -10.397 2.881 -6.467
51 HB VAL 7 HB VAL 7 -9.497 5.777 -6.803
52 1HG1 VAL 7 1HG1 VAL 7 -9.244 4.071 -4.319
53 2HG1 VAL 7 2HG1 VAL 7 -8.280 5.535 -4.626
54 3HG1 VAL 7 3HG1 VAL 7 -10.037 5.674 -4.473
55 1HG2 VAL 7 2HG2 VAL 7 -8.147 3.983 -7.902
56 2HG2 VAL 7 3HG2 VAL 7 -7.249 4.853 -6.651
57 3HG2 VAL 7 1HG2 VAL 7 -7.885 3.228 -6.317
58 MG1 VAL 7 QG1 VAL 7 -9.187 5.093 -4.473
59 MG2 VAL 7 QG2 VAL 7 -7.760 4.021 -6.957
60 QG VAL 7 QQG VAL 7 -8.474 4.557 -5.715
61 H HIS 8 H HIS 8 -11.435 2.960 -4.512
62 HA HIS 8 HA HIS 8 -13.485 5.046 -3.969
63 HD1 HIS 8 1HD HIS 8 -14.407 3.519 -6.339
64 HD2 HIS 8 2HD HIS 8 -14.354 0.164 -3.805
65 HE1 HIS 8 1HE HIS 8 -14.515 1.434 -7.876
66 HE2 HIS 8 2HE HIS 8 -14.484 -0.587 -6.324
67 QB HIS 8 QB HIS 8 -14.995 3.526 -3.198
68 H CYS 9 H CYS 9 -12.246 6.386 -2.731
69 HA CYS 9 HA CYS 9 -10.617 5.340 -0.487
70 QB CYS 9 QB CYS 9 -10.245 7.781 -0.062
71 H GLY 10 H GLY 10 -12.291 4.237 0.576
72 1HA GLY 10 3HA GLY 10 -13.751 3.959 2.359
73 2HA GLY 10 2HA GLY 10 -14.400 5.590 2.099
74 QA GLY 10 QA GLY 10 -14.400 5.590 2.099
75 H LYS 11 H LYS 11 -12.981 7.350 2.823
76 HA LYS 11 HA LYS 11 -11.819 8.582 4.280
77 1HZ LYS 11 1HZ LYS 11 -15.430 9.823 8.242
78 2HZ LYS 11 3HZ LYS 11 -15.759 9.451 6.692
79 3HZ LYS 11 2HZ LYS 11 -16.917 9.300 7.846
80 QB LYS 11 QB LYS 11 -11.510 7.868 6.601
81 QD LYS 11 QD LYS 11 -13.428 8.237 8.253
82 QG LYS 11 QG LYS 11 -14.267 7.029 5.579
83 QE LYS 11 QE LYS 11 -15.705 7.516 8.948
84 QZ LYS 11 QZ LYS 11 -16.035 9.525 7.594
85 H HIS 12 H HIS 12 -10.471 5.354 4.476
86 HA HIS 12 HA HIS 12 -7.666 6.387 4.150
87 HD1 HIS 12 1HD HIS 12 -9.492 2.565 5.106
88 HD2 HIS 12 2HD HIS 12 -9.481 5.351 8.283
89 HE1 HIS 12 1HE HIS 12 -11.216 1.753 6.762
90 HE2 HIS 12 2HE HIS 12 -11.295 3.461 8.679
91 QB HIS 12 QB HIS 12 -7.906 5.957 6.471
92 H SER 13 H SER 13 -9.893 3.965 3.061
93 HA SER 13 HA SER 13 -7.835 1.948 2.712
94 HG SER 13 HG SER 13 -10.849 0.637 3.708
95 QB SER 13 QB SER 13 -9.644 0.559 1.828
96 H CYS 14 H CYS 14 -9.387 4.123 0.438
97 HA CYS 14 HA CYS 14 -9.293 4.373 -1.868
98 QB CYS 14 QB CYS 14 -6.958 4.884 -2.571
99 H THR 15 H THR 15 -10.160 1.984 -1.733
100 HA THR 15 HA THR 15 -8.476 0.004 -3.186
101 HB THR 15 HB THR 15 -11.173 -0.182 -1.776
102 HG1 THR 15 1HG THR 15 -9.891 -1.419 -0.341
103 1HG2 THR 15 2HG2 THR 15 -9.487 -2.376 -3.040
104 2HG2 THR 15 1HG2 THR 15 -10.878 -2.657 -1.975
105 3HG2 THR 15 3HG2 THR 15 -11.129 -1.875 -3.538
106 MG THR 15 QG2 THR 15 -10.498 -2.303 -2.851
107 H VAL 16 H VAL 16 -8.636 -0.172 -5.347
108 HA VAL 16 HA VAL 16 -11.000 0.575 -6.982
109 HB VAL 16 HB VAL 16 -8.731 -1.370 -7.641
110 1HG1 VAL 16 3HG1 VAL 16 -10.675 -1.586 -9.149
111 2HG1 VAL 16 1HG1 VAL 16 -10.561 0.162 -9.515
112 3HG1 VAL 16 2HG1 VAL 16 -9.245 -0.954 -9.946
113 1HG2 VAL 16 2HG2 VAL 16 -7.884 0.944 -7.114
114 2HG2 VAL 16 3HG2 VAL 16 -7.531 0.288 -8.693
115 3HG2 VAL 16 1HG2 VAL 16 -8.827 1.523 -8.525
116 MG1 VAL 16 QG1 VAL 16 -10.160 -0.792 -9.537
117 MG2 VAL 16 QG2 VAL 16 -8.081 0.918 -8.111
118 QG VAL 16 QQG VAL 16 -9.120 0.063 -8.824
119 H ASP 17 H ASP 17 -9.465 -2.304 -5.949
120 HA ASP 17 HA ASP 17 -11.494 -3.972 -4.992
121 QB ASP 17 QB ASP 17 -10.668 -4.494 -7.892
122 H TRP 18 H TRP 18 -8.537 -3.827 -6.898
123 HA TRP 18 HA TRP 18 -7.114 -5.893 -5.473
124 HD1 TRP 18 HD TRP 18 -4.721 -4.739 -9.525
125 HE1 TRP 18 1HE TRP 18 -3.704 -2.430 -9.980
126 HE3 TRP 18 3HE TRP 18 -7.098 -2.097 -5.850
127 HZ2 TRP 18 2HZ TRP 18 -3.620 0.156 -8.597
128 HZ3 TRP 18 3HZ TRP 18 -6.413 0.093 -5.294
129 HH2 TRP 18 HH TRP 18 -4.664 1.294 -6.618
130 QB TRP 18 QB TRP 18 -6.973 -5.427 -7.887
131 H GLY 19 H GLY 19 -7.893 -3.508 -3.809
132 1HA GLY 19 3HA GLY 19 -7.014 -2.119 -2.168
133 2HA GLY 19 2HA GLY 19 -5.625 -1.899 -3.194
134 QA GLY 19 QA GLY 19 -5.625 -1.899 -3.194
135 H THR 20 H THR 20 -6.364 -5.138 -2.134
136 HA THR 20 HA THR 20 -4.340 -5.403 -0.104
137 HB THR 20 HB THR 20 -5.380 -7.514 -2.021
138 HG1 THR 20 1HG THR 20 -6.789 -7.938 -0.263
139 1HG2 THR 20 1HG2 THR 20 -4.067 -7.777 0.713
140 2HG2 THR 20 3HG2 THR 20 -4.902 -9.084 -0.156
141 3HG2 THR 20 2HG2 THR 20 -3.442 -8.365 -0.836
142 MG THR 20 QG2 THR 20 -4.137 -8.409 -0.093
143 H ALA 21 H ALA 21 -4.152 -5.546 -3.663
144 HA ALA 21 HA ALA 21 -1.467 -6.617 -3.823
145 1HB ALA 21 3HB ALA 21 -3.187 -6.676 -5.708
146 2HB ALA 21 1HB ALA 21 -2.935 -4.947 -5.922
147 3HB ALA 21 2HB ALA 21 -1.579 -6.043 -6.159
148 MB ALA 21 QB ALA 21 -2.567 -5.889 -5.929
149 H ILE 22 H ILE 22 -2.752 -3.306 -4.395
150 HA ILE 22 HA ILE 22 -0.132 -2.117 -4.318
151 HB ILE 22 HB ILE 22 -1.299 0.077 -3.846
152 1HG2 ILE 22 3HG2 ILE 22 -0.733 -0.745 -6.139
153 2HG2 ILE 22 1HG2 ILE 22 -2.330 -1.515 -6.234
154 3HG2 ILE 22 2HG2 ILE 22 -2.183 0.262 -6.095
155 1HD1 ILE 22 1HD1 ILE 22 -3.717 1.170 -4.576
156 2HD1 ILE 22 2HD1 ILE 22 -4.944 0.561 -3.419
157 3HD1 ILE 22 3HD1 ILE 22 -3.399 1.187 -2.832
158 MG ILE 22 QG2 ILE 22 -1.749 -0.666 -6.156
159 MD ILE 22 QD1 ILE 22 -4.020 0.973 -3.609
160 QG ILE 22 QG1 ILE 22 -3.349 -1.158 -2.726
161 H GLY 23 H GLY 23 -2.454 -2.628 -1.703
162 1HA GLY 23 3HA GLY 23 -2.140 -2.924 0.552
163 2HA GLY 23 2HA GLY 23 -1.189 -1.437 0.504
164 QA GLY 23 QA GLY 23 -1.189 -1.437 0.504
165 H ASN 24 H ASN 24 -0.673 -4.803 -0.661
166 HA ASN 24 HA ASN 24 1.433 -5.497 1.144
167 1HD2 ASN 24 1HD2 ASN 24 2.651 -7.580 -2.337
168 2HD2 ASN 24 2HD2 ASN 24 3.633 -8.601 -1.291
169 QB ASN 24 QB ASN 24 0.743 -6.582 -1.626
170 QD ASN 24 QD2 ASN 24 3.142 -8.090 -1.814
171 H ILE 25 H ILE 25 1.647 -4.360 -2.237
172 HA ILE 25 HA ILE 25 4.495 -4.258 -2.449
173 HB ILE 25 HB ILE 25 2.393 -2.576 -3.837
174 1HG2 ILE 25 1HG2 ILE 25 5.355 -2.932 -4.532
175 2HG2 ILE 25 2HG2 ILE 25 4.156 -2.151 -5.572
176 3HG2 ILE 25 3HG2 ILE 25 4.567 -1.437 -4.025
177 1HD1 ILE 25 1HD1 ILE 25 1.364 -3.657 -5.836
178 2HD1 ILE 25 2HD1 ILE 25 2.900 -3.600 -6.721
179 3HD1 ILE 25 3HD1 ILE 25 2.073 -5.145 -6.515
180 MG ILE 25 QG2 ILE 25 4.692 -2.173 -4.709
181 MD ILE 25 QD1 ILE 25 2.112 -4.134 -6.357
182 QG ILE 25 QG1 ILE 25 2.443 -5.178 -4.149
183 H GLY 26 H GLY 26 2.231 -1.698 -1.419
184 1HA GLY 26 3HA GLY 26 2.463 0.152 -0.080
185 2HA GLY 26 2HA GLY 26 4.047 0.407 -0.821
186 QA GLY 26 QA GLY 26 4.047 0.407 -0.821
187 H ASN 27 H ASN 27 2.837 -2.208 1.392
188 HA ASN 27 HA ASN 27 4.464 -1.234 3.557
189 1HD2 ASN 27 1HD2 ASN 27 3.167 -1.219 5.644
190 2HD2 ASN 27 2HD2 ASN 27 3.915 -2.113 6.964
191 QB ASN 27 QB ASN 27 3.241 -3.989 3.350
192 QD ASN 27 QD2 ASN 27 3.541 -1.666 6.304
193 H ASN 28 H ASN 28 5.071 -3.697 1.073
194 HA ASN 28 HA ASN 28 7.541 -4.712 2.114
195 1HD2 ASN 28 1HD2 ASN 28 8.290 -4.500 -2.098
196 2HD2 ASN 28 2HD2 ASN 28 9.649 -5.598 -1.852
197 QB ASN 28 QB ASN 28 6.509 -4.464 -0.743
198 QD ASN 28 QD2 ASN 28 8.970 -5.049 -1.975
199 H ALA 29 H ALA 29 6.895 -1.947 -0.090
200 HA ALA 29 HA ALA 29 9.614 -0.966 -0.157
201 1HB ALA 29 1HB ALA 29 6.968 0.507 -0.546
202 2HB ALA 29 2HB ALA 29 8.568 1.167 -0.892
203 3HB ALA 29 3HB ALA 29 7.975 -0.235 -1.806
204 MB ALA 29 QB ALA 29 7.837 0.480 -1.081
205 H ALA 30 H ALA 30 6.878 -0.028 1.983
206 HA ALA 30 HA ALA 30 8.438 1.717 3.580
207 1HB ALA 30 2HB ALA 30 5.968 1.766 3.496
208 2HB ALA 30 1HB ALA 30 6.541 1.700 5.152
209 3HB ALA 30 3HB ALA 30 5.918 0.216 4.408
210 MB ALA 30 QB ALA 30 6.142 1.227 4.352
211 H ALA 31 H ALA 31 8.555 -1.718 3.667
212 HA ALA 31 HA ALA 31 10.145 -1.625 6.210
213 1HB ALA 31 3HB ALA 31 9.202 -4.030 4.575
214 2HB ALA 31 1HB ALA 31 10.061 -4.075 6.125
215 3HB ALA 31 2HB ALA 31 8.422 -3.372 6.047
216 MB ALA 31 QB ALA 31 9.228 -3.826 5.582
217 H ASN 32 H ASN 32 10.655 -1.825 2.828
218 HA ASN 32 HA ASN 32 13.619 -1.595 3.169
219 1HD2 ASN 32 1HD2 ASN 32 11.164 -3.362 0.976
220 2HD2 ASN 32 2HD2 ASN 32 12.349 -4.456 0.299
221 QB ASN 32 QB ASN 32 13.421 -0.588 0.902
222 QD ASN 32 QD2 ASN 32 11.756 -3.909 0.637
223 H TRP 33 H TRP 33 10.949 0.220 4.071
224 HA TRP 33 HA TRP 33 10.909 2.149 5.447
225 HD1 TRP 33 HD TRP 33 13.072 3.322 7.969
226 HE1 TRP 33 1HE TRP 33 11.482 4.290 9.703
227 HE3 TRP 33 3HE TRP 33 9.572 -0.450 8.110
228 HZ2 TRP 33 2HZ TRP 33 8.693 3.897 10.396
229 HZ3 TRP 33 3HZ TRP 33 7.363 -0.007 9.118
230 HH2 TRP 33 HH TRP 33 6.853 2.196 10.081
231 QB TRP 33 QB TRP 33 13.154 0.651 6.816
232 H ALA 34 H ALA 34 14.268 1.378 5.472
233 HA ALA 34 HA ALA 34 15.546 3.829 5.877
234 1HB ALA 34 2HB ALA 34 16.318 1.206 4.496
235 2HB ALA 34 3HB ALA 34 17.469 2.384 5.147
236 3HB ALA 34 1HB ALA 34 16.378 1.520 6.239
237 MB ALA 34 QB ALA 34 16.722 1.703 5.294
238 H THR 35 H THR 35 14.427 2.430 2.797
239 HA THR 35 HA THR 35 14.414 5.135 1.911
240 HB THR 35 HB THR 35 16.785 4.149 1.182
241 HG1 THR 35 1HG THR 35 16.864 5.993 -0.021
242 1HG2 THR 35 1HG2 THR 35 15.763 2.689 -0.646
243 2HG2 THR 35 3HG2 THR 35 15.131 4.155 -1.392
244 3HG2 THR 35 2HG2 THR 35 16.886 3.921 -1.236
245 MG THR 35 QG2 THR 35 15.926 3.588 -1.091
246 H GLY 36 H GLY 36 13.382 1.889 1.212
247 1HA GLY 36 3HA GLY 36 11.603 2.798 -1.019
248 2HA GLY 36 2HA GLY 36 11.100 1.602 0.188
249 QA GLY 36 QA GLY 36 11.100 1.602 0.188
250 H GLY 37 H GLY 37 14.350 1.595 -0.879
251 1HA GLY 37 3HA GLY 37 14.720 -0.232 -2.909
252 2HA GLY 37 2HA GLY 37 14.293 -1.245 -1.516
253 QA GLY 37 QA GLY 37 14.293 -1.245 -1.516
254 H ASN 38 H ASN 38 15.410 -0.244 0.591
255 HA ASN 38 HA ASN 38 18.342 -0.066 -0.003
256 1HD2 ASN 38 1HD2 ASN 38 19.692 2.175 0.139
257 2HD2 ASN 38 2HD2 ASN 38 20.870 2.238 1.443
258 QB ASN 38 QB ASN 38 16.919 1.403 2.236
259 QD ASN 38 QD2 ASN 38 20.281 2.206 0.791
260 H ALA 39 H ALA 39 16.811 -0.299 3.156
261 HA ALA 39 HA ALA 39 18.716 -2.280 3.982
262 1HB ALA 39 3HB ALA 39 17.849 -0.517 5.452
263 2HB ALA 39 1HB ALA 39 16.233 -1.249 5.404
264 3HB ALA 39 2HB ALA 39 17.599 -2.124 6.141
265 MB ALA 39 QB ALA 39 17.227 -1.297 5.666
266 H GLY 40 H GLY 40 15.731 -2.823 2.380
267 1HA GLY 40 3HA GLY 40 14.207 -4.619 2.427
268 2HA GLY 40 2HA GLY 40 15.159 -5.399 3.694
269 QA GLY 40 QA GLY 40 15.159 -5.399 3.694
270 H TRP 41 H TRP 41 15.478 -4.418 0.300
271 HA TRP 41 HA TRP 41 16.628 -7.109 -0.337
272 HD1 TRP 41 HD TRP 41 14.829 -7.045 -4.305
273 HE1 TRP 41 1HE TRP 41 14.762 -9.569 -4.859
274 HE3 TRP 41 3HE TRP 41 15.105 -8.923 0.428
275 HZ2 TRP 41 2HZ TRP 41 14.836 -12.057 -3.451
276 HZ3 TRP 41 3HZ TRP 41 15.101 -11.392 0.819
277 HH2 TRP 41 HH TRP 41 14.953 -12.961 -1.106
278 QB TRP 41 QB TRP 41 14.797 -5.593 -2.174
279 H ASN 42 H ASN 42 18.015 -4.343 -0.181
280 HA ASN 42 HA ASN 42 19.505 -4.664 -2.751
281 1HD2 ASN 42 1HD2 ASN 42 18.821 -3.569 -4.727
282 2HD2 ASN 42 2HD2 ASN 42 19.831 -2.334 -5.475
283 QB ASN 42 QB ASN 42 18.909 -1.986 -1.474
284 QD ASN 42 QD2 ASN 42 19.326 -2.951 -5.101
285 H LYS 43 H LYS 43 20.193 -5.706 -0.218
286 HA LYS 43 HA LYS 43 22.908 -4.546 -0.019
287 1HZ LYS 43 3HZ LYS 43 17.711 -7.269 3.270
288 2HZ LYS 43 2HZ LYS 43 17.968 -7.805 4.806
289 3HZ LYS 43 1HZ LYS 43 17.875 -6.206 4.502
290 QB LYS 43 QB LYS 43 21.521 -3.811 1.973
291 QD LYS 43 QD LYS 43 19.790 -6.394 1.880
292 QG LYS 43 QG LYS 43 21.752 -5.286 3.939
293 QE LYS 43 QE LYS 43 20.111 -6.725 4.893
294 QZ LYS 43 QZ LYS 43 17.851 -7.093 4.193
No H/Q in entry = 294
Start of MODEL 10
1 H1 LYS 1 2H LYS 1 -24.888 -3.049 -3.842
2 H2 LYS 1 1H LYS 1 -26.086 -4.145 -4.057
3 H3 LYS 1 3H LYS 1 -24.685 -4.595 -3.341
4 HA LYS 1 HA LYS 1 -24.688 -5.412 -5.601
5 1HZ LYS 1 2HZ LYS 1 -25.938 -1.927 -11.285
6 2HZ LYS 1 1HZ LYS 1 -27.162 -1.435 -10.300
7 3HZ LYS 1 3HZ LYS 1 -25.914 -0.453 -10.609
8 QB LYS 1 QB LYS 1 -24.832 -2.512 -6.489
9 QD LYS 1 QD LYS 1 -26.823 -3.540 -8.802
10 QG LYS 1 QG LYS 1 -25.171 -5.179 -7.937
11 QE LYS 1 QE LYS 1 -24.332 -1.905 -9.458
12 QZ LYS 1 QZ LYS 1 -26.338 -1.271 -10.731
13 H TYR 2 H TYR 2 -22.703 -5.670 -6.667
14 HA TYR 2 HA TYR 2 -20.735 -3.527 -6.511
15 HD1 TYR 2 1HD TYR 2 -21.403 -7.473 -5.106
16 HD2 TYR 2 2HD TYR 2 -17.825 -6.465 -7.310
17 HE1 TYR 2 1HE TYR 2 -20.974 -9.893 -5.524
18 HE2 TYR 2 2HE TYR 2 -17.396 -8.848 -7.714
19 HH TYR 2 HH TYR 2 -19.569 -11.419 -6.497
20 QB TYR 2 QB TYR 2 -20.027 -5.238 -4.787
21 QD TYR 2 QD TYR 2 -19.614 -6.969 -6.208
22 QE TYR 2 QE TYR 2 -19.185 -9.371 -6.619
23 QR TYR 2 QR TYR 2 -19.400 -8.170 -6.414
24 H TYR 3 H TYR 3 -19.530 -3.399 -8.429
25 HA TYR 3 HA TYR 3 -20.939 -4.113 -10.761
26 HD1 TYR 3 1HD TYR 3 -21.763 -2.246 -10.065
27 HD2 TYR 3 2HD TYR 3 -17.807 -0.590 -10.683
28 HE1 TYR 3 1HE TYR 3 -22.609 0.012 -9.568
29 HE2 TYR 3 2HE TYR 3 -18.690 1.654 -10.270
30 HH TYR 3 HH TYR 3 -20.540 2.922 -9.736
31 QB TYR 3 QB TYR 3 -19.040 -2.994 -11.897
32 QD TYR 3 QD TYR 3 -19.785 -1.418 -10.374
33 QE TYR 3 QE TYR 3 -20.650 0.833 -9.919
34 QR TYR 3 QR TYR 3 -20.217 -0.293 -10.146
35 H GLY 4 H GLY 4 -18.731 -6.156 -9.184
36 1HA GLY 4 3HA GLY 4 -18.170 -7.762 -11.639
37 2HA GLY 4 2HA GLY 4 -18.562 -8.426 -10.048
38 QA GLY 4 QA GLY 4 -18.562 -8.426 -10.048
39 H ASN 5 H ASN 5 -16.486 -9.495 -11.097
40 HA ASN 5 HA ASN 5 -14.188 -8.906 -9.541
41 1HD2 ASN 5 1HD2 ASN 5 -12.451 -10.504 -13.124
42 2HD2 ASN 5 2HD2 ASN 5 -13.661 -10.814 -14.376
43 QB ASN 5 QB ASN 5 -14.663 -11.130 -10.509
44 QD ASN 5 QD2 ASN 5 -13.056 -10.659 -13.750
45 H GLY 6 H GLY 6 -12.267 -7.796 -9.984
46 1HA GLY 6 3HA GLY 6 -11.645 -6.528 -12.506
47 2HA GLY 6 2HA GLY 6 -10.830 -6.339 -10.964
48 QA GLY 6 QA GLY 6 -10.830 -6.339 -10.964
49 H VAL 7 H VAL 7 -13.965 -5.463 -10.245
50 HA VAL 7 HA VAL 7 -13.329 -2.551 -10.627
51 HB VAL 7 HB VAL 7 -15.696 -2.170 -11.412
52 1HG1 VAL 7 2HG1 VAL 7 -13.630 -2.159 -12.881
53 2HG1 VAL 7 3HG1 VAL 7 -13.964 -3.870 -13.245
54 3HG1 VAL 7 1HG1 VAL 7 -15.137 -2.613 -13.699
55 1HG2 VAL 7 3HG2 VAL 7 -16.606 -4.479 -10.880
56 2HG2 VAL 7 1HG2 VAL 7 -16.818 -4.016 -12.574
57 3HG2 VAL 7 2HG2 VAL 7 -15.507 -5.144 -12.085
58 MG1 VAL 7 QG1 VAL 7 -14.244 -2.880 -13.275
59 MG2 VAL 7 QG2 VAL 7 -16.310 -4.546 -11.846
60 QG VAL 7 QQG VAL 7 -15.277 -3.713 -12.561
61 H HIS 8 H HIS 8 -15.930 -4.584 -9.239
62 HA HIS 8 HA HIS 8 -17.404 -4.320 -7.612
63 HD1 HIS 8 1HD HIS 8 -13.812 -5.289 -7.757
64 HD2 HIS 8 2HD HIS 8 -16.514 -6.675 -4.817
65 HE1 HIS 8 1HE HIS 8 -13.540 -7.773 -7.722
66 HE2 HIS 8 2HE HIS 8 -15.127 -8.668 -5.845
67 QB HIS 8 QB HIS 8 -16.552 -4.087 -5.323
68 H CYS 9 H CYS 9 -15.552 -1.464 -6.765
69 HA CYS 9 HA CYS 9 -16.114 0.609 -6.125
70 QB CYS 9 QB CYS 9 -18.517 0.880 -7.806
71 H GLY 10 H GLY 10 -19.150 -1.208 -6.044
72 1HA GLY 10 3HA GLY 10 -20.971 -1.194 -4.641
73 2HA GLY 10 2HA GLY 10 -20.676 0.524 -4.503
74 QA GLY 10 QA GLY 10 -20.676 0.524 -4.503
75 H LYS 11 H LYS 11 -18.185 -1.510 -3.259
76 HA LYS 11 HA LYS 11 -19.043 -1.828 -0.525
77 1HZ LYS 11 1HZ LYS 11 -14.070 -5.698 1.081
78 2HZ LYS 11 3HZ LYS 11 -14.574 -6.673 -0.141
79 3HZ LYS 11 2HZ LYS 11 -13.626 -5.373 -0.439
80 QB LYS 11 QB LYS 11 -16.182 -1.719 -1.620
81 QD LYS 11 QD LYS 11 -15.004 -3.458 1.449
82 QG LYS 11 QG LYS 11 -17.385 -3.009 0.872
83 QE LYS 11 QE LYS 11 -15.908 -4.867 -1.084
84 QZ LYS 11 QZ LYS 11 -14.090 -5.915 0.167
85 H HIS 12 H HIS 12 -17.008 0.555 -2.130
86 HA HIS 12 HA HIS 12 -17.725 2.766 -0.407
87 HD1 HIS 12 1HD HIS 12 -16.908 4.292 1.868
88 HD2 HIS 12 2HD HIS 12 -13.275 3.556 -0.147
89 HE1 HIS 12 1HE HIS 12 -15.480 6.416 2.156
90 HE2 HIS 12 2HE HIS 12 -13.275 5.960 0.947
91 QB HIS 12 QB HIS 12 -14.936 1.557 -0.071
92 H SER 13 H SER 13 -15.125 1.617 -2.567
93 HA SER 13 HA SER 13 -15.661 3.640 -4.567
94 HG SER 13 HG SER 13 -12.607 5.346 -4.650
95 QB SER 13 QB SER 13 -12.862 3.519 -3.363
96 H CYS 14 H CYS 14 -14.014 3.233 -6.399
97 HA CYS 14 HA CYS 14 -14.439 0.532 -7.408
98 QB CYS 14 QB CYS 14 -13.039 1.597 -9.334
99 H THR 15 H THR 15 -13.283 -0.465 -5.632
100 HA THR 15 HA THR 15 -10.473 -0.307 -5.189
101 HB THR 15 HB THR 15 -12.500 -2.422 -4.382
102 HG1 THR 15 1HG THR 15 -12.869 -0.276 -3.659
103 1HG2 THR 15 1HG2 THR 15 -9.674 -1.927 -3.352
104 2HG2 THR 15 3HG2 THR 15 -10.919 -2.789 -2.410
105 3HG2 THR 15 2HG2 THR 15 -10.352 -3.468 -3.920
106 MG THR 15 QG2 THR 15 -10.315 -2.728 -3.227
107 H VAL 16 H VAL 16 -12.030 -1.851 -7.741
108 HA VAL 16 HA VAL 16 -11.773 -3.505 -9.172
109 HB VAL 16 HB VAL 16 -9.744 -4.189 -10.105
110 1HG1 VAL 16 1HG1 VAL 16 -10.511 -1.749 -10.469
111 2HG1 VAL 16 2HG1 VAL 16 -9.259 -1.296 -9.276
112 3HG1 VAL 16 3HG1 VAL 16 -8.821 -2.076 -10.820
113 1HG2 VAL 16 2HG2 VAL 16 -8.305 -4.699 -8.343
114 2HG2 VAL 16 3HG2 VAL 16 -7.522 -3.591 -9.462
115 3HG2 VAL 16 1HG2 VAL 16 -8.089 -2.956 -7.927
116 MG1 VAL 16 QG1 VAL 16 -9.531 -1.707 -10.188
117 MG2 VAL 16 QG2 VAL 16 -7.972 -3.748 -8.577
118 QG VAL 16 QQG VAL 16 -8.751 -2.728 -9.383
119 H ASP 17 H ASP 17 -10.028 -4.221 -6.307
120 HA ASP 17 HA ASP 17 -10.618 -6.148 -4.867
121 QB ASP 17 QB ASP 17 -11.654 -7.643 -6.452
122 H TRP 18 H TRP 18 -8.225 -4.578 -6.564
123 HA TRP 18 HA TRP 18 -6.085 -6.326 -5.689
124 HD1 TRP 18 HD TRP 18 -3.855 -4.406 -9.359
125 HE1 TRP 18 1HE TRP 18 -3.333 -1.972 -9.603
126 HE3 TRP 18 3HE TRP 18 -7.075 -2.604 -5.819
127 HZ2 TRP 18 2HZ TRP 18 -3.954 0.516 -8.108
128 HZ3 TRP 18 3HZ TRP 18 -6.960 -0.343 -5.085
129 HH2 TRP 18 HH TRP 18 -5.328 1.268 -6.112
130 QB TRP 18 QB TRP 18 -6.228 -5.605 -8.037
131 H GLY 19 H GLY 19 -7.577 -4.267 -3.888
132 1HA GLY 19 3HA GLY 19 -7.035 -2.929 -2.046
133 2HA GLY 19 2HA GLY 19 -5.675 -2.342 -2.985
134 QA GLY 19 QA GLY 19 -5.675 -2.342 -2.985
135 H THR 20 H THR 20 -5.751 -5.780 -2.460
136 HA THR 20 HA THR 20 -3.799 -5.914 -0.291
137 HB THR 20 HB THR 20 -3.563 -8.248 -1.070
138 HG1 THR 20 1HG THR 20 -5.090 -8.955 -2.612
139 1HG2 THR 20 1HG2 THR 20 -5.236 -7.583 0.664
140 2HG2 THR 20 3HG2 THR 20 -6.471 -7.427 -0.610
141 3HG2 THR 20 2HG2 THR 20 -5.727 -8.997 -0.260
142 MG THR 20 QG2 THR 20 -5.811 -8.002 -0.069
143 H ALA 21 H ALA 21 -3.629 -5.699 -3.841
144 HA ALA 21 HA ALA 21 -0.874 -6.434 -4.180
145 1HB ALA 21 2HB ALA 21 -2.594 -6.464 -6.029
146 2HB ALA 21 3HB ALA 21 -2.598 -4.692 -6.031
147 3HB ALA 21 1HB ALA 21 -1.122 -5.583 -6.413
148 MB ALA 21 QB ALA 21 -2.105 -5.580 -6.157
149 H ILE 22 H ILE 22 -2.415 -3.244 -4.552
150 HA ILE 22 HA ILE 22 -0.056 -1.670 -4.231
151 HB ILE 22 HB ILE 22 -1.659 0.211 -3.645
152 1HG2 ILE 22 1HG2 ILE 22 -0.802 -0.251 -5.918
153 2HG2 ILE 22 2HG2 ILE 22 -2.205 -1.315 -6.208
154 3HG2 ILE 22 3HG2 ILE 22 -2.446 0.420 -5.932
155 1HD1 ILE 22 1HD1 ILE 22 -4.072 1.056 -4.071
156 2HD1 ILE 22 2HD1 ILE 22 -5.245 0.033 -3.215
157 3HD1 ILE 22 3HD1 ILE 22 -3.773 0.588 -2.391
158 MG ILE 22 QG2 ILE 22 -1.818 -0.382 -6.019
159 MD ILE 22 QD1 ILE 22 -4.363 0.559 -3.225
160 QG ILE 22 QG1 ILE 22 -3.533 -1.735 -2.993
161 H GLY 23 H GLY 23 -2.466 -2.611 -1.888
162 1HA GLY 23 3HA GLY 23 -2.160 -3.285 0.360
163 2HA GLY 23 2HA GLY 23 -1.554 -1.637 0.542
164 QA GLY 23 QA GLY 23 -1.554 -1.637 0.542
165 H ASN 24 H ASN 24 -0.390 -4.808 -0.738
166 HA ASN 24 HA ASN 24 1.751 -5.066 1.190
167 1HD2 ASN 24 1HD2 ASN 24 -0.919 -7.274 -0.256
168 2HD2 ASN 24 2HD2 ASN 24 -0.825 -8.323 1.167
169 QB ASN 24 QB ASN 24 2.522 -6.858 -0.551
170 QD ASN 24 QD2 ASN 24 -0.872 -7.798 0.455
171 H ILE 25 H ILE 25 1.781 -3.807 -2.154
172 HA ILE 25 HA ILE 25 4.606 -3.409 -2.384
173 HB ILE 25 HB ILE 25 2.260 -1.962 -3.625
174 1HG2 ILE 25 2HG2 ILE 25 5.227 -1.662 -4.313
175 2HG2 ILE 25 3HG2 ILE 25 3.894 -1.016 -5.272
176 3HG2 ILE 25 1HG2 ILE 25 4.146 -0.401 -3.661
177 1HD1 ILE 25 3HD1 ILE 25 1.436 -3.057 -5.688
178 2HD1 ILE 25 1HD1 ILE 25 2.944 -2.634 -6.538
179 3HD1 ILE 25 2HD1 ILE 25 2.385 -4.317 -6.500
180 MG ILE 25 QG2 ILE 25 4.422 -1.026 -4.415
181 MD ILE 25 QD1 ILE 25 2.255 -3.336 -6.242
182 QG ILE 25 QG1 ILE 25 2.763 -4.470 -4.121
183 H GLY 26 H GLY 26 2.100 -1.121 -1.217
184 1HA GLY 26 3HA GLY 26 2.155 0.485 0.434
185 2HA GLY 26 2HA GLY 26 3.679 1.005 -0.293
186 QA GLY 26 QA GLY 26 3.679 1.005 -0.293
187 H ASN 27 H ASN 27 2.692 -1.812 1.585
188 HA ASN 27 HA ASN 27 4.199 -1.458 3.955
189 1HD2 ASN 27 2HD2 ASN 27 4.582 -5.136 1.752
190 2HD2 ASN 27 1HD2 ASN 27 5.149 -6.244 2.983
191 QB ASN 27 QB ASN 27 2.806 -3.637 2.490
192 QD ASN 27 QD2 ASN 27 4.866 -5.690 2.367
193 H ASN 28 H ASN 28 5.184 -3.260 1.063
194 HA ASN 28 HA ASN 28 7.655 -4.160 2.140
195 1HD2 ASN 28 1HD2 ASN 28 7.362 -5.908 -2.094
196 2HD2 ASN 28 2HD2 ASN 28 9.024 -6.406 -1.869
197 QB ASN 28 QB ASN 28 6.608 -4.006 -0.743
198 QD ASN 28 QD2 ASN 28 8.193 -6.157 -1.982
199 H ALA 29 H ALA 29 6.831 -1.424 -0.024
200 HA ALA 29 HA ALA 29 9.510 -0.487 -0.112
201 1HB ALA 29 1HB ALA 29 6.887 1.122 -0.355
202 2HB ALA 29 3HB ALA 29 7.597 0.202 -1.694
203 3HB ALA 29 2HB ALA 29 8.453 1.591 -1.045
204 MB ALA 29 QB ALA 29 7.646 0.972 -1.031
205 H ALA 30 H ALA 30 6.802 0.464 2.062
206 HA ALA 30 HA ALA 30 8.233 2.499 3.416
207 1HB ALA 30 1HB ALA 30 5.772 2.234 3.558
208 2HB ALA 30 3HB ALA 30 6.475 2.245 5.185
209 3HB ALA 30 2HB ALA 30 5.991 0.712 4.463
210 MB ALA 30 QB ALA 30 6.079 1.730 4.402
211 H ALA 31 H ALA 31 8.811 -0.898 3.646
212 HA ALA 31 HA ALA 31 11.132 0.141 5.225
213 1HB ALA 31 2HB ALA 31 11.542 -2.310 5.896
214 2HB ALA 31 1HB ALA 31 10.044 -2.732 5.054
215 3HB ALA 31 3HB ALA 31 9.998 -1.691 6.498
216 MB ALA 31 QB ALA 31 10.528 -2.244 5.816
217 H ASN 32 H ASN 32 10.798 -2.370 2.746
218 HA ASN 32 HA ASN 32 13.626 -2.632 2.657
219 1HD2 ASN 32 1HD2 ASN 32 10.357 -5.525 1.693
220 2HD2 ASN 32 2HD2 ASN 32 10.935 -6.327 3.147
221 QB ASN 32 QB ASN 32 13.049 -4.162 0.693
222 QD ASN 32 QD2 ASN 32 10.646 -5.926 2.420
223 H TRP 33 H TRP 33 11.773 -0.231 1.142
224 HA TRP 33 HA TRP 33 13.297 -0.109 -1.269
225 HD1 TRP 33 HD TRP 33 10.710 2.861 -2.999
226 HE1 TRP 33 1HE TRP 33 9.187 1.491 -4.528
227 HE3 TRP 33 3HE TRP 33 11.794 -1.844 -1.259
228 HZ2 TRP 33 2HZ TRP 33 7.906 -1.170 -4.284
229 HZ3 TRP 33 3HZ TRP 33 10.255 -3.680 -1.670
230 HH2 TRP 33 HH TRP 33 8.202 -3.314 -2.919
231 QB TRP 33 QB TRP 33 11.990 2.402 -0.604
232 H ALA 34 H ALA 34 13.480 1.293 1.905
233 HA ALA 34 HA ALA 34 15.834 3.035 1.304
234 1HB ALA 34 1HB ALA 34 13.208 3.807 2.681
235 2HB ALA 34 3HB ALA 34 13.697 4.267 1.035
236 3HB ALA 34 2HB ALA 34 14.606 4.865 2.449
237 MB ALA 34 QB ALA 34 13.837 4.313 2.055
238 H THR 35 H THR 35 14.151 1.119 3.777
239 HA THR 35 HA THR 35 16.463 1.646 5.612
240 HB THR 35 HB THR 35 13.560 1.358 6.513
241 HG1 THR 35 1HG THR 35 13.825 3.292 5.386
242 1HG2 THR 35 1HG2 THR 35 16.039 2.371 7.951
243 2HG2 THR 35 3HG2 THR 35 14.396 2.398 8.614
244 3HG2 THR 35 2HG2 THR 35 15.206 0.840 8.272
245 MG THR 35 QG2 THR 35 15.214 1.870 8.279
246 H GLY 36 H GLY 36 13.970 -0.747 4.729
247 1HA GLY 36 3HA GLY 36 14.016 -3.071 4.967
248 2HA GLY 36 2HA GLY 36 15.379 -2.966 6.088
249 QA GLY 36 QA GLY 36 15.379 -2.966 6.088
250 H GLY 37 H GLY 37 15.978 -1.000 3.532
251 1HA GLY 37 3HA GLY 37 16.469 -2.290 1.249
252 2HA GLY 37 2HA GLY 37 17.985 -2.614 2.154
253 QA GLY 37 QA GLY 37 17.985 -2.614 2.154
254 H ASN 38 H ASN 38 18.577 -0.344 3.404
255 HA ASN 38 HA ASN 38 18.152 2.104 2.011
256 1HD2 ASN 38 1HD2 ASN 38 18.201 4.034 3.644
257 2HD2 ASN 38 2HD2 ASN 38 19.451 5.264 3.473
258 QB ASN 38 QB ASN 38 20.492 1.297 3.796
259 QD ASN 38 QD2 ASN 38 18.826 4.649 3.558
260 H ALA 39 H ALA 39 20.276 -0.481 1.360
261 HA ALA 39 HA ALA 39 22.065 0.839 -0.563
262 1HB ALA 39 1HB ALA 39 22.685 -1.445 -1.197
263 2HB ALA 39 3HB ALA 39 21.373 -2.101 -0.184
264 3HB ALA 39 2HB ALA 39 22.706 -1.217 0.583
265 MB ALA 39 QB ALA 39 22.255 -1.587 -0.266
266 H GLY 40 H GLY 40 18.756 -0.050 -0.762
267 1HA GLY 40 3HA GLY 40 18.692 0.044 -3.757
268 2HA GLY 40 2HA GLY 40 17.664 1.042 -2.729
269 QA GLY 40 QA GLY 40 17.664 1.042 -2.729
270 H TRP 41 H TRP 41 18.227 -2.207 -1.650
271 HA TRP 41 HA TRP 41 15.436 -3.016 -2.095
272 HD1 TRP 41 HD TRP 41 14.751 -3.796 -5.268
273 HE1 TRP 41 1HE TRP 41 15.682 -2.802 -7.485
274 HE3 TRP 41 3HE TRP 41 19.705 -3.370 -4.011
275 HZ2 TRP 41 2HZ TRP 41 18.175 -1.959 -8.527
276 HZ3 TRP 41 3HZ TRP 41 21.332 -2.458 -5.616
277 HH2 TRP 41 HH TRP 41 20.625 -1.770 -7.877
278 QB TRP 41 QB TRP 41 15.931 -5.039 -3.241
279 H ASN 42 H ASN 42 15.037 -5.152 -1.001
280 HA ASN 42 HA ASN 42 15.680 -5.171 1.676
281 1HD2 ASN 42 1HD2 ASN 42 14.019 -6.595 3.225
282 2HD2 ASN 42 2HD2 ASN 42 14.493 -8.171 3.842
283 QB ASN 42 QB ASN 42 14.946 -7.497 -0.162
284 QD ASN 42 QD2 ASN 42 14.256 -7.383 3.533
285 H LYS 43 H LYS 43 17.327 -5.635 2.948
286 HA LYS 43 HA LYS 43 19.558 -7.409 2.092
287 1HZ LYS 43 2HZ LYS 43 21.341 -8.227 5.258
288 2HZ LYS 43 1HZ LYS 43 22.956 -8.429 5.297
289 3HZ LYS 43 3HZ LYS 43 22.229 -7.565 6.462
290 QB LYS 43 QB LYS 43 20.131 -4.852 3.606
291 QD LYS 43 QD LYS 43 23.328 -6.992 2.792
292 QG LYS 43 QG LYS 43 22.232 -4.852 2.414
293 QE LYS 43 QE LYS 43 21.519 -5.868 4.868
294 QZ LYS 43 QZ LYS 43 22.175 -8.074 5.672
No H/Q in entry = 294
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