Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
|
1125 | 1a7f RC | 994 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLY 1 HT3 GLY 1 0.795 2.584 12.859
2 2H GLY 1 HT2 GLY 1 0.121 4.053 13.384
3 3H GLY 1 HT1 GLY 1 -0.867 2.864 12.678
4 1HA GLY 1 HA2 GLY 1 -0.591 4.349 10.949
5 2HA GLY 1 HA1 GLY 1 1.089 4.653 11.390
6 H ILE 2 HN ILE 2 -0.176 3.654 8.826
7 HA ILE 2 HA ILE 2 1.449 1.166 8.566
8 HB ILE 2 HB ILE 2 -1.039 1.817 7.038
9 1HG1 ILE 2 HG12 ILE 2 -1.637 -0.382 8.548
10 2HG1 ILE 2 HG11 ILE 2 -0.600 0.517 9.656
11 1HG2 ILE 2 HG23 ILE 2 1.027 0.085 6.415
12 2HG2 ILE 2 HG22 ILE 2 -0.140 -0.966 7.217
13 3HG2 ILE 2 HG21 ILE 2 -0.622 -0.034 5.801
14 1HD1 ILE 2 HD12 ILE 2 -2.007 2.524 9.339
15 2HD1 ILE 2 HD11 ILE 2 -3.051 1.615 8.247
16 3HD1 ILE 2 HD13 ILE 2 -2.956 1.169 9.951
17 H VAL 3 HN VAL 3 0.045 3.868 6.703
18 HA VAL 3 HA VAL 3 1.929 3.542 4.511
19 HB VAL 3 HB VAL 3 0.235 5.963 5.206
20 1HG1 VAL 3 HG13 VAL 3 2.086 6.256 3.528
21 2HG1 VAL 3 HG12 VAL 3 1.324 5.007 2.544
22 3HG1 VAL 3 HG11 VAL 3 0.476 6.520 2.861
23 1HG2 VAL 3 HG23 VAL 3 -0.823 3.525 4.819
24 2HG2 VAL 3 HG22 VAL 3 -1.581 4.979 4.173
25 3HG2 VAL 3 HG21 VAL 3 -0.576 3.973 3.132
26 H GLU 4 HN GLU 4 1.522 6.099 6.981
27 HA GLU 4 HA GLU 4 3.979 7.432 6.422
28 1HB GLU 4 HB2 GLU 4 1.880 8.030 7.979
29 2HB GLU 4 HB1 GLU 4 2.960 7.400 9.223
30 1HG GLU 4 HG2 GLU 4 4.129 9.301 7.246
31 2HG GLU 4 HG1 GLU 4 3.032 9.969 8.455
32 H GLN 5 HN GLN 5 3.359 4.434 8.044
33 HA GLN 5 HA GLN 5 5.513 4.301 9.872
34 1HB GLN 5 HB2 GLN 5 3.547 2.596 9.192
35 2HB GLN 5 HB1 GLN 5 4.874 1.859 8.294
36 1HG GLN 5 HG2 GLN 5 5.292 0.818 10.285
37 2HG GLN 5 HG1 GLN 5 6.107 2.334 10.671
38 1HE2 GLN 5 HE22 GLN 5 3.146 3.513 12.551
39 2HE2 GLN 5 HE21 GLN 5 4.128 4.095 11.295
40 H CYS 6 HN CYS 6 5.440 3.566 6.379
41 HA CYS 6 HA CYS 6 8.374 3.943 6.321
42 1HB CYS 6 HB2 CYS 6 6.992 1.369 5.962
43 2HB CYS 6 HB1 CYS 6 8.111 1.759 4.660
44 H CYS 7 HN CYS 7 6.395 5.680 5.350
45 HA CYS 7 HA CYS 7 5.745 5.295 2.586
46 1HB CYS 7 HB2 CYS 7 5.071 7.168 4.437
47 2HB CYS 7 HB1 CYS 7 6.271 8.072 3.515
48 H THR 8 HN THR 8 8.487 6.886 4.196
49 HA THR 8 HA THR 8 9.807 7.287 1.564
50 HB THR 8 HB THR 8 11.033 8.085 4.186
51 HG1 THR 8 HG1 THR 8 9.758 9.905 4.221
52 1HG2 THR 8 HG22 THR 8 11.872 8.365 1.649
53 2HG2 THR 8 HG21 THR 8 10.890 9.825 1.774
54 3HG2 THR 8 HG23 THR 8 12.225 9.562 2.895
55 H SER 9 HN SER 9 9.456 4.604 2.815
56 HA SER 9 HA SER 9 12.203 3.677 2.477
57 1HB SER 9 HB2 SER 9 11.970 2.441 4.796
58 2HB SER 9 HB1 SER 9 12.573 4.095 4.742
59 HG SER 9 HG SER 9 10.972 4.129 6.226
60 H ILE 10 HN ILE 10 12.062 1.134 3.295
61 HA ILE 10 HA ILE 10 9.525 0.074 2.109
62 HB ILE 10 HB ILE 10 11.861 -1.714 1.868
63 1HG1 ILE 10 HG12 ILE 10 11.843 0.859 0.243
64 2HG1 ILE 10 HG11 ILE 10 13.006 0.482 1.512
65 1HG2 ILE 10 HG23 ILE 10 9.410 -1.557 0.742
66 2HG2 ILE 10 HG22 ILE 10 10.350 -0.713 -0.491
67 3HG2 ILE 10 HG21 ILE 10 10.769 -2.367 -0.039
68 1HD1 ILE 10 HD12 ILE 10 12.579 -1.208 -0.967
69 2HD1 ILE 10 HD11 ILE 10 13.864 -0.014 -0.783
70 3HD1 ILE 10 HD13 ILE 10 13.825 -1.435 0.261
71 H CYS 11 HN CYS 11 8.491 -0.477 4.009
72 HA CYS 11 HA CYS 11 9.951 -1.813 6.174
73 1HB CYS 11 HB2 CYS 11 7.290 -0.579 5.797
74 2HB CYS 11 HB1 CYS 11 7.312 -1.964 6.886
75 H SER 12 HN SER 12 6.733 -2.881 5.078
76 HA SER 12 HA SER 12 7.622 -5.327 3.857
77 1HB SER 12 HB2 SER 12 7.154 -5.311 6.810
78 2HB SER 12 HB1 SER 12 6.605 -6.709 5.891
79 HG SER 12 HG SER 12 8.740 -7.013 6.544
80 H LEU 13 HN LEU 13 5.846 -6.607 3.145
81 HA LEU 13 HA LEU 13 3.399 -5.169 2.714
82 1HB LEU 13 HB2 LEU 13 4.225 -6.829 1.110
83 2HB LEU 13 HB1 LEU 13 4.086 -8.098 2.314
84 HG LEU 13 HG LEU 13 2.231 -7.908 0.524
85 1HD1 LEU 13 HD12 LEU 13 2.214 -8.772 3.193
86 2HD1 LEU 13 HD11 LEU 13 0.701 -7.894 2.984
87 3HD1 LEU 13 HD13 LEU 13 1.094 -9.240 1.916
88 1HD2 LEU 13 HD21 LEU 13 2.066 -5.298 1.327
89 2HD2 LEU 13 HD23 LEU 13 0.773 -6.168 0.512
90 3HD2 LEU 13 HD22 LEU 13 0.767 -6.025 2.269
91 H TYR 14 HN TYR 14 4.451 -7.283 5.273
92 HA TYR 14 HA TYR 14 1.976 -8.319 6.145
93 1HB TYR 14 HB2 TYR 14 3.224 -9.175 7.825
94 2HB TYR 14 HB1 TYR 14 4.596 -8.412 7.041
95 HD1 TYR 14 HD2 TYR 14 5.265 -6.049 7.794
96 HD2 TYR 14 HD1 TYR 14 2.509 -8.519 9.972
97 HE1 TYR 14 HE2 TYR 14 5.621 -4.661 9.818
98 HE2 TYR 14 HE1 TYR 14 2.865 -7.133 11.996
99 HH TYR 14 HH TYR 14 3.611 -4.691 12.442
100 H GLN 15 HN GLN 15 3.174 -5.049 6.309
101 HA GLN 15 HA GLN 15 1.258 -4.187 8.349
102 1HB GLN 15 HB2 GLN 15 3.549 -3.088 7.650
103 2HB GLN 15 HB1 GLN 15 2.570 -2.300 6.411
104 1HG GLN 15 HG2 GLN 15 2.212 -0.755 8.056
105 2HG GLN 15 HG1 GLN 15 0.985 -1.908 8.581
106 1HE2 GLN 15 HE22 GLN 15 3.080 -1.201 11.563
107 2HE2 GLN 15 HE21 GLN 15 2.007 -0.327 10.581
108 H LEU 16 HN LEU 16 1.558 -3.840 4.807
109 HA LEU 16 HA LEU 16 -0.932 -2.454 4.453
110 1HB LEU 16 HB2 LEU 16 1.030 -3.839 2.705
111 2HB LEU 16 HB1 LEU 16 -0.607 -3.683 2.065
112 HG LEU 16 HG LEU 16 1.015 -1.380 3.187
113 1HD1 LEU 16 HD12 LEU 16 0.607 -2.417 0.384
114 2HD1 LEU 16 HD11 LEU 16 0.982 -0.721 0.685
115 3HD1 LEU 16 HD13 LEU 16 2.115 -1.976 1.182
116 1HD2 LEU 16 HD21 LEU 16 -1.746 -1.730 2.114
117 2HD2 LEU 16 HD23 LEU 16 -1.154 -0.616 3.345
118 3HD2 LEU 16 HD22 LEU 16 -0.888 -0.267 1.637
119 H GLU 17 HN GLU 17 -0.258 -5.747 5.204
120 HA GLU 17 HA GLU 17 -2.396 -7.090 3.905
121 1HB GLU 17 HB2 GLU 17 -0.396 -7.915 5.492
122 2HB GLU 17 HB1 GLU 17 -1.691 -7.890 6.690
123 1HG GLU 17 HG2 GLU 17 -2.277 -9.143 4.042
124 2HG GLU 17 HG1 GLU 17 -1.250 -10.037 5.164
125 H ASN 18 HN ASN 18 -2.467 -4.791 6.503
126 HA ASN 18 HA ASN 18 -5.159 -5.658 7.376
127 1HB ASN 18 HB2 ASN 18 -3.269 -3.500 8.350
128 2HB ASN 18 HB1 ASN 18 -4.888 -3.743 9.008
129 1HD2 ASN 18 HD22 ASN 18 -3.417 -6.000 11.299
130 2HD2 ASN 18 HD21 ASN 18 -4.269 -4.548 11.089
131 H TYR 19 HN TYR 19 -4.645 -4.494 4.648
132 HA TYR 19 HA TYR 19 -6.361 -2.057 4.883
133 1HB TYR 19 HB2 TYR 19 -4.069 -2.755 3.104
134 2HB TYR 19 HB1 TYR 19 -5.376 -1.797 2.406
135 HD1 TYR 19 HD2 TYR 19 -3.411 -1.960 5.601
136 HD2 TYR 19 HD1 TYR 19 -5.188 0.516 2.575
137 HE1 TYR 19 HE2 TYR 19 -2.530 0.063 6.737
138 HE2 TYR 19 HE1 TYR 19 -4.311 2.538 3.711
139 HH TYR 19 HH TYR 19 -3.616 3.139 6.112
140 H CYS 20 HN CYS 20 -6.975 -5.105 4.529
141 HA CYS 20 HA CYS 20 -8.579 -4.852 2.019
142 1HB CYS 20 HB2 CYS 20 -7.319 -7.173 3.442
143 2HB CYS 20 HB1 CYS 20 -8.771 -7.451 2.478
144 H ASN 21 HN ASN 21 -9.293 -3.750 4.682
145 HA ASN 21 HA ASN 21 -11.301 -5.449 5.885
146 1HB ASN 21 HB2 ASN 21 -10.490 -2.576 6.121
147 2HB ASN 21 HB1 ASN 21 -12.069 -3.052 6.747
148 1HD2 ASN 21 HD22 ASN 21 -10.738 -4.752 9.544
149 2HD2 ASN 21 HD21 ASN 21 -12.131 -4.305 8.683
150 1H PHE 1 HT3 PHE 1 7.064 -2.856 1.045
151 2H PHE 1 HT2 PHE 1 5.555 -2.426 1.695
152 3H PHE 1 HT1 PHE 1 6.459 -3.681 2.397
153 HA PHE 1 HA PHE 1 4.675 -4.617 1.108
154 1HB PHE 1 HB2 PHE 1 4.491 -2.619 -0.409
155 2HB PHE 1 HB1 PHE 1 5.937 -3.177 -1.245
156 HD1 PHE 1 HD1 PHE 1 2.488 -4.216 -0.262
157 HD2 PHE 1 HD2 PHE 1 5.796 -4.822 -2.919
158 HE1 PHE 1 HE1 PHE 1 1.113 -5.771 -1.619
159 HE2 PHE 1 HE2 PHE 1 4.428 -6.379 -4.277
160 HZ PHE 1 HZ PHE 1 2.087 -6.854 -3.624
161 H VAL 2 HN VAL 2 7.609 -4.148 -0.901
162 HA VAL 2 HA VAL 2 8.816 -6.600 0.017
163 HB VAL 2 HB VAL 2 6.990 -7.549 -1.365
164 1HG1 VAL 2 HG13 VAL 2 7.687 -5.479 -3.159
165 2HG1 VAL 2 HG12 VAL 2 8.105 -6.986 -3.966
166 3HG1 VAL 2 HG11 VAL 2 6.463 -6.724 -3.382
167 1HG2 VAL 2 HG21 VAL 2 9.886 -7.941 -1.910
168 2HG2 VAL 2 HG23 VAL 2 8.681 -9.091 -1.326
169 3HG2 VAL 2 HG22 VAL 2 8.767 -8.697 -3.044
170 H ASN 3 HN ASN 3 8.720 -4.029 -2.423
171 HA ASN 3 HA ASN 3 11.617 -3.769 -2.202
172 1HB ASN 3 HB2 ASN 3 12.055 -3.983 -4.629
173 2HB ASN 3 HB1 ASN 3 11.504 -5.500 -3.925
174 1HD2 ASN 3 HD22 ASN 3 8.703 -5.707 -6.039
175 2HD2 ASN 3 HD21 ASN 3 9.733 -6.477 -4.932
176 H GLN 4 HN GLN 4 8.663 -2.772 -3.930
177 HA GLN 4 HA GLN 4 9.729 -0.141 -4.579
178 1HB GLN 4 HB2 GLN 4 7.178 -1.604 -4.947
179 2HB GLN 4 HB1 GLN 4 7.017 0.145 -4.776
180 1HG GLN 4 HG2 GLN 4 8.438 0.564 -6.641
181 2HG GLN 4 HG1 GLN 4 9.015 -1.103 -6.670
182 1HE2 GLN 4 HE22 GLN 4 6.605 -1.461 -9.285
183 2HE2 GLN 4 HE21 GLN 4 8.257 -1.254 -8.952
184 H HIS 5 HN HIS 5 8.810 1.873 -3.664
185 HA HIS 5 HA HIS 5 8.598 1.667 -0.747
186 1HB HIS 5 HB2 HIS 5 8.748 3.975 -2.689
187 2HB HIS 5 HB1 HIS 5 8.444 4.225 -0.967
188 HD1 HIS 5 HD1 HIS 5 11.064 2.862 -3.332
189 HD2 HIS 5 HD2 HIS 5 10.677 3.820 0.700
190 HE1 HIS 5 HE1 HIS 5 13.379 2.677 -2.320
191 H LEU 6 HN LEU 6 6.852 3.420 0.153
192 HA LEU 6 HA LEU 6 4.252 2.757 -1.170
193 1HB LEU 6 HB2 LEU 6 4.853 2.823 1.801
194 2HB LEU 6 HB1 LEU 6 3.277 2.501 1.082
195 HG LEU 6 HG LEU 6 5.709 0.860 0.385
196 1HD1 LEU 6 HD13 LEU 6 4.833 0.995 2.938
197 2HD1 LEU 6 HD12 LEU 6 3.706 -0.206 2.306
198 3HD1 LEU 6 HD11 LEU 6 5.443 -0.494 2.216
199 1HD2 LEU 6 HD23 LEU 6 3.368 0.968 -0.881
200 2HD2 LEU 6 HD22 LEU 6 4.201 -0.569 -0.650
201 3HD2 LEU 6 HD21 LEU 6 2.877 -0.113 0.422
202 H CYS 7 HN CYS 7 5.327 5.132 -1.856
203 HA CYS 7 HA CYS 7 3.659 7.056 -0.322
204 1HB CYS 7 HB2 CYS 7 6.477 7.015 -0.265
205 2HB CYS 7 HB1 CYS 7 6.064 8.329 -1.361
206 H GLY 8 HN GLY 8 2.423 8.310 -1.618
207 1HA GLY 8 HA2 GLY 8 1.888 9.563 -3.602
208 2HA GLY 8 HA1 GLY 8 3.200 8.735 -4.447
209 H SER 9 HN SER 9 2.118 7.749 -6.142
210 HA SER 9 HA SER 9 -0.431 6.351 -5.656
211 1HB SER 9 HB2 SER 9 -0.517 6.028 -8.018
212 2HB SER 9 HB1 SER 9 0.134 7.648 -7.782
213 HG SER 9 HG SER 9 1.887 7.006 -8.731
214 H HIS 10 HN HIS 10 2.681 5.530 -4.951
215 HA HIS 10 HA HIS 10 2.783 2.838 -6.055
216 1HB HIS 10 HB2 HIS 10 4.344 4.116 -3.784
217 2HB HIS 10 HB1 HIS 10 4.725 2.568 -4.541
218 HD1 HIS 10 HD1 HIS 10 6.550 5.216 -4.611
219 HD2 HIS 10 HD2 HIS 10 4.123 3.807 -7.695
220 HE1 HIS 10 HE1 HIS 10 7.475 6.195 -6.754
221 H LEU 11 HN LEU 11 1.720 4.337 -3.050
222 HA LEU 11 HA LEU 11 1.382 1.904 -1.560
223 1HB LEU 11 HB2 LEU 11 1.451 4.212 -0.564
224 2HB LEU 11 HB1 LEU 11 -0.131 4.524 -1.261
225 HG LEU 11 HG LEU 11 -0.082 3.831 1.203
226 1HD1 LEU 11 HD11 LEU 11 -1.991 3.534 -0.641
227 2HD1 LEU 11 HD13 LEU 11 -1.735 1.832 -0.257
228 3HD1 LEU 11 HD12 LEU 11 -2.193 2.962 1.016
229 1HD2 LEU 11 HD21 LEU 11 1.559 1.821 0.397
230 2HD2 LEU 11 HD23 LEU 11 0.584 1.750 1.864
231 3HD2 LEU 11 HD22 LEU 11 0.010 0.982 0.384
232 H VAL 12 HN VAL 12 -0.952 3.916 -3.384
233 HA VAL 12 HA VAL 12 -3.232 2.286 -3.031
234 HB VAL 12 HB VAL 12 -2.561 3.775 -5.587
235 1HG1 VAL 12 HG11 VAL 12 -5.024 2.683 -4.279
236 2HG1 VAL 12 HG13 VAL 12 -5.169 4.186 -5.190
237 3HG1 VAL 12 HG12 VAL 12 -4.586 2.725 -5.988
238 1HG2 VAL 12 HG23 VAL 12 -3.261 4.753 -2.845
239 2HG2 VAL 12 HG22 VAL 12 -2.232 5.494 -4.070
240 3HG2 VAL 12 HG21 VAL 12 -3.987 5.577 -4.225
241 H GLU 13 HN GLU 13 -0.795 2.136 -5.650
242 HA GLU 13 HA GLU 13 -1.940 -0.066 -7.052
243 1HB GLU 13 HB2 GLU 13 0.013 1.491 -7.748
244 2HB GLU 13 HB1 GLU 13 1.036 0.381 -6.837
245 1HG GLU 13 HG2 GLU 13 -0.061 -1.497 -8.208
246 2HG GLU 13 HG1 GLU 13 -0.662 -0.216 -9.263
247 H ALA 14 HN ALA 14 0.054 0.092 -4.172
248 HA ALA 14 HA ALA 14 0.756 -2.714 -4.115
249 1HB ALA 14 HB1 ALA 14 1.703 -0.586 -2.793
250 2HB ALA 14 HB3 ALA 14 0.548 -1.148 -1.584
251 3HB ALA 14 HB2 ALA 14 1.834 -2.219 -2.139
252 H LEU 15 HN LEU 15 -1.964 -0.804 -2.936
253 HA LEU 15 HA LEU 15 -3.084 -2.820 -1.213
254 1HB LEU 15 HB2 LEU 15 -4.648 -0.734 -2.762
255 2HB LEU 15 HB1 LEU 15 -5.113 -1.526 -1.261
256 HG LEU 15 HG LEU 15 -2.787 0.382 -1.605
257 1HD1 LEU 15 HD11 LEU 15 -5.484 0.639 -0.268
258 2HD1 LEU 15 HD13 LEU 15 -4.166 1.789 -0.049
259 3HD1 LEU 15 HD12 LEU 15 -4.887 1.567 -1.645
260 1HD2 LEU 15 HD22 LEU 15 -3.674 -1.412 0.614
261 2HD2 LEU 15 HD21 LEU 15 -2.043 -0.928 0.149
262 3HD2 LEU 15 HD23 LEU 15 -3.074 0.192 1.042
263 H GLU 16 HN GLU 16 -3.492 -2.025 -4.648
264 HA GLU 16 HA GLU 16 -5.526 -3.971 -5.215
265 1HB GLU 16 HB2 GLU 16 -4.421 -1.999 -6.666
266 2HB GLU 16 HB1 GLU 16 -3.472 -3.350 -7.289
267 1HG GLU 16 HG2 GLU 16 -5.863 -4.507 -7.431
268 2HG GLU 16 HG1 GLU 16 -6.408 -2.832 -7.518
269 H LEU 17 HN LEU 17 -1.989 -4.117 -5.156
270 HA LEU 17 HA LEU 17 -1.723 -6.762 -6.236
271 1HB LEU 17 HB2 LEU 17 0.012 -4.762 -5.384
272 2HB LEU 17 HB1 LEU 17 0.278 -6.046 -4.207
273 HG LEU 17 HG LEU 17 0.591 -7.654 -6.096
274 1HD1 LEU 17 HD12 LEU 17 -0.008 -5.159 -7.638
275 2HD1 LEU 17 HD11 LEU 17 1.150 -6.302 -8.320
276 3HD1 LEU 17 HD13 LEU 17 -0.498 -6.821 -7.963
277 1HD2 LEU 17 HD23 LEU 17 2.340 -5.361 -5.453
278 2HD2 LEU 17 HD22 LEU 17 2.720 -7.081 -5.513
279 3HD2 LEU 17 HD21 LEU 17 2.709 -6.130 -6.997
280 H VAL 18 HN VAL 18 -2.516 -5.541 -3.044
281 HA VAL 18 HA VAL 18 -2.049 -8.029 -1.631
282 HB VAL 18 HB VAL 18 -3.840 -5.701 -0.867
283 1HG1 VAL 18 HG13 VAL 18 -2.557 -7.939 0.724
284 2HG1 VAL 18 HG12 VAL 18 -3.330 -6.530 1.451
285 3HG1 VAL 18 HG11 VAL 18 -4.284 -7.661 0.490
286 1HG2 VAL 18 HG23 VAL 18 -1.122 -5.594 -1.341
287 2HG2 VAL 18 HG22 VAL 18 -1.997 -4.522 -0.249
288 3HG2 VAL 18 HG21 VAL 18 -1.185 -5.950 0.385
289 H CYS 19 HN CYS 19 -5.181 -6.364 -2.157
290 HA CYS 19 HA CYS 19 -6.500 -9.021 -2.183
291 1HB CYS 19 HB2 CYS 19 -7.368 -6.212 -1.670
292 2HB CYS 19 HB1 CYS 19 -8.564 -7.307 -2.360
293 H GLY 20 HN GLY 20 -7.308 -6.056 -4.006
294 1HA GLY 20 HA2 GLY 20 -6.814 -6.034 -6.479
295 2HA GLY 20 HA1 GLY 20 -7.286 -7.732 -6.486
296 H GLU 21 HN GLU 21 -9.479 -6.686 -4.405
297 HA GLU 21 HA GLU 21 -11.507 -6.293 -6.505
298 1HB GLU 21 HB2 GLU 21 -11.554 -6.842 -3.553
299 2HB GLU 21 HB1 GLU 21 -12.994 -6.186 -4.333
300 1HG GLU 21 HG2 GLU 21 -13.007 -8.046 -5.931
301 2HG GLU 21 HG1 GLU 21 -11.528 -8.689 -5.217
302 H ARG 22 HN ARG 22 -12.757 -4.410 -6.730
303 HA ARG 22 HA ARG 22 -11.489 -1.937 -5.858
304 1HB ARG 22 HB2 ARG 22 -14.104 -2.453 -7.307
305 2HB ARG 22 HB1 ARG 22 -13.408 -0.855 -7.040
306 1HG ARG 22 HG2 ARG 22 -11.510 -1.343 -8.396
307 2HG ARG 22 HG1 ARG 22 -11.874 -3.068 -8.412
308 1HD ARG 22 HD2 ARG 22 -12.827 -2.598 -10.430
309 2HD ARG 22 HD1 ARG 22 -14.187 -2.055 -9.446
310 HE ARG 22 HE ARG 22 -12.557 0.179 -9.619
311 1HH1 ARG 22 HH21 ARG 22 -14.036 -1.982 -11.936
312 2HH1 ARG 22 HH22 ARG 22 -14.172 -0.754 -13.145
313 1HH2 ARG 22 HH11 ARG 22 -12.749 1.736 -11.214
314 2HH2 ARG 22 HH12 ARG 22 -13.451 1.329 -12.744
315 H GLY 23 HN GLY 23 -12.466 -0.350 -4.468
316 1HA GLY 23 HA2 GLY 23 -13.618 0.339 -2.543
317 2HA GLY 23 HA1 GLY 23 -14.938 -0.697 -3.086
318 H GLY 24 HN GLY 24 -11.770 -2.063 -2.551
319 1HA GLY 24 HA2 GLY 24 -12.853 -3.480 -0.152
320 2HA GLY 24 HA1 GLY 24 -11.652 -4.164 -1.252
321 H PHE 25 HN PHE 25 -10.218 -1.544 -1.414
322 HA PHE 25 HA PHE 25 -9.068 -1.431 1.339
323 1HB PHE 25 HB2 PHE 25 -6.810 -1.212 0.240
324 2HB PHE 25 HB1 PHE 25 -7.553 -2.797 0.041
325 HD1 PHE 25 HD2 PHE 25 -6.890 0.449 -1.655
326 HD2 PHE 25 HD1 PHE 25 -8.183 -3.622 -2.109
327 HE1 PHE 25 HE2 PHE 25 -6.752 0.681 -4.117
328 HE2 PHE 25 HE1 PHE 25 -8.046 -3.389 -4.573
329 HZ PHE 25 HZ PHE 25 -7.329 -1.236 -5.578
330 H TYR 26 HN TYR 26 -7.265 0.535 1.102
331 HA TYR 26 HA TYR 26 -8.823 2.919 0.925
332 1HB TYR 26 HB2 TYR 26 -6.823 2.846 2.303
333 2HB TYR 26 HB1 TYR 26 -5.818 2.495 0.904
334 HD1 TYR 26 HD2 TYR 26 -8.601 4.991 1.099
335 HD2 TYR 26 HD1 TYR 26 -4.358 4.353 0.877
336 HE1 TYR 26 HE2 TYR 26 -8.257 7.418 0.731
337 HE2 TYR 26 HE1 TYR 26 -4.015 6.782 0.506
338 HH TYR 26 HH TYR 26 -5.263 8.706 -0.307
339 H THR 27 HN THR 27 -9.723 3.556 -0.967
340 HA THR 27 HA THR 27 -7.969 3.644 -3.388
341 HB THR 27 HB THR 27 -10.067 3.337 -4.723
342 HG1 THR 27 HG1 THR 27 -11.161 2.813 -2.159
343 1HG2 THR 27 HG21 THR 27 -8.965 1.314 -2.840
344 2HG2 THR 27 HG23 THR 27 -10.467 0.897 -3.666
345 3HG2 THR 27 HG22 THR 27 -9.028 1.296 -4.603
346 HA PRO 28 HA PRO 28 -9.147 7.965 -2.267
347 1HB PRO 28 HB2 PRO 28 -6.870 8.885 -3.746
348 2HB PRO 28 HB1 PRO 28 -7.084 8.863 -1.990
349 1HG PRO 28 HG2 PRO 28 -5.383 7.172 -3.592
350 2HG PRO 28 HG1 PRO 28 -5.561 7.190 -1.833
351 1HD PRO 28 HD2 PRO 28 -6.533 5.214 -3.679
352 2HD PRO 28 HD1 PRO 28 -6.725 5.246 -1.918
353 H LYS 29 HN LYS 29 -10.947 7.730 -3.779
354 HA LYS 29 HA LYS 29 -10.846 9.394 -6.063
355 1HB LYS 29 HB2 LYS 29 -11.126 7.601 -7.850
356 2HB LYS 29 HB1 LYS 29 -9.494 7.771 -7.204
357 1HG LYS 29 HG2 LYS 29 -9.519 5.700 -6.268
358 2HG LYS 29 HG1 LYS 29 -11.179 5.877 -5.699
359 1HD LYS 29 HD2 LYS 29 -11.091 4.102 -7.369
360 2HD LYS 29 HD1 LYS 29 -11.980 5.473 -8.028
361 1HE LYS 29 HE2 LYS 29 -10.544 5.005 -9.794
362 2HE LYS 29 HE1 LYS 29 -9.595 6.199 -8.910
363 1HZ LYS 29 HZ1 LYS 29 -9.357 3.292 -8.407
364 2HZ LYS 29 HZ3 LYS 29 -8.412 4.092 -9.567
365 3HZ LYS 29 HZ2 LYS 29 -8.295 4.529 -7.930
No H/Q in entry = 365
Start of MODEL 2
1 1H GLY 1 HT1 GLY 1 -1.067 8.715 9.479
2 2H GLY 1 HT3 GLY 1 -1.724 8.550 11.033
3 3H GLY 1 HT2 GLY 1 -0.499 9.691 10.747
4 1HA GLY 1 HA2 GLY 1 1.156 8.110 10.581
5 2HA GLY 1 HA1 GLY 1 0.131 7.491 11.876
6 H ILE 2 HN ILE 2 -0.010 7.447 8.294
7 HA ILE 2 HA ILE 2 -0.172 4.483 8.433
8 HB ILE 2 HB ILE 2 -2.481 5.150 8.329
9 1HG1 ILE 2 HG12 ILE 2 -1.779 4.538 5.456
10 2HG1 ILE 2 HG11 ILE 2 -1.610 3.331 6.732
11 1HG2 ILE 2 HG23 ILE 2 -1.759 7.480 7.311
12 2HG2 ILE 2 HG22 ILE 2 -2.114 6.677 5.784
13 3HG2 ILE 2 HG21 ILE 2 -3.369 6.828 7.012
14 1HD1 ILE 2 HD11 ILE 2 -4.183 4.855 6.291
15 2HD1 ILE 2 HD13 ILE 2 -3.838 3.332 5.471
16 3HD1 ILE 2 HD12 ILE 2 -3.940 3.384 7.230
17 H VAL 3 HN VAL 3 -0.092 7.202 6.057
18 HA VAL 3 HA VAL 3 1.654 5.551 4.328
19 HB VAL 3 HB VAL 3 0.551 8.332 3.839
20 1HG1 VAL 3 HG11 VAL 3 2.603 7.272 2.544
21 2HG1 VAL 3 HG13 VAL 3 1.338 6.359 1.722
22 3HG1 VAL 3 HG12 VAL 3 1.336 8.122 1.661
23 1HG2 VAL 3 HG21 VAL 3 -0.632 5.614 3.585
24 2HG2 VAL 3 HG23 VAL 3 -1.427 7.173 3.811
25 3HG2 VAL 3 HG22 VAL 3 -0.870 6.694 2.210
26 H GLU 4 HN GLU 4 1.793 8.298 6.491
27 HA GLU 4 HA GLU 4 4.542 8.965 5.616
28 1HB GLU 4 HB2 GLU 4 2.453 10.260 7.299
29 2HB GLU 4 HB1 GLU 4 4.133 10.598 7.718
30 1HG GLU 4 HG2 GLU 4 3.843 12.239 6.132
31 2HG GLU 4 HG1 GLU 4 4.308 10.918 5.058
32 H GLN 5 HN GLN 5 4.275 6.372 6.704
33 HA GLN 5 HA GLN 5 5.707 6.679 9.309
34 1HB GLN 5 HB2 GLN 5 3.301 5.417 8.993
35 2HB GLN 5 HB1 GLN 5 4.414 4.075 8.736
36 1HG GLN 5 HG2 GLN 5 5.236 5.728 11.002
37 2HG GLN 5 HG1 GLN 5 3.601 5.106 11.210
38 1HE2 GLN 5 HE22 GLN 5 6.652 2.360 10.835
39 2HE2 GLN 5 HE21 GLN 5 6.799 3.862 10.058
40 H CYS 6 HN CYS 6 5.305 4.622 6.414
41 HA CYS 6 HA CYS 6 8.213 3.964 6.633
42 1HB CYS 6 HB2 CYS 6 5.894 2.173 5.886
43 2HB CYS 6 HB1 CYS 6 7.567 1.770 5.495
44 H CYS 7 HN CYS 7 6.655 6.056 5.077
45 HA CYS 7 HA CYS 7 6.568 5.312 2.315
46 1HB CYS 7 HB2 CYS 7 5.802 7.519 3.698
47 2HB CYS 7 HB1 CYS 7 7.297 8.118 2.985
48 H THR 8 HN THR 8 9.043 7.262 4.041
49 HA THR 8 HA THR 8 10.929 7.069 1.855
50 HB THR 8 HB THR 8 11.067 8.969 3.344
51 HG1 THR 8 HG1 THR 8 13.124 8.874 3.072
52 1HG2 THR 8 HG22 THR 8 11.379 6.862 5.484
53 2HG2 THR 8 HG21 THR 8 11.864 8.535 5.739
54 3HG2 THR 8 HG23 THR 8 10.181 8.149 5.391
55 H SER 9 HN SER 9 10.400 5.234 4.823
56 HA SER 9 HA SER 9 12.853 3.649 4.419
57 1HB SER 9 HB2 SER 9 10.663 3.721 6.477
58 2HB SER 9 HB1 SER 9 11.697 2.300 6.360
59 HG SER 9 HG SER 9 12.258 4.399 7.679
60 H ILE 10 HN ILE 10 12.608 1.194 4.310
61 HA ILE 10 HA ILE 10 10.293 0.535 2.533
62 HB ILE 10 HB ILE 10 12.631 -1.308 2.548
63 1HG1 ILE 10 HG12 ILE 10 12.790 1.389 1.154
64 2HG1 ILE 10 HG11 ILE 10 13.725 0.957 2.584
65 1HG2 ILE 10 HG22 ILE 10 10.408 -1.159 1.085
66 2HG2 ILE 10 HG21 ILE 10 11.406 -0.070 0.120
67 3HG2 ILE 10 HG23 ILE 10 11.924 -1.734 0.392
68 1HD1 ILE 10 HD13 ILE 10 14.205 -1.172 0.885
69 2HD1 ILE 10 HD12 ILE 10 14.140 0.200 -0.221
70 3HD1 ILE 10 HD11 ILE 10 15.283 0.204 1.123
71 H CYS 11 HN CYS 11 9.214 0.271 4.729
72 HA CYS 11 HA CYS 11 9.925 -1.878 6.486
73 1HB CYS 11 HB2 CYS 11 7.275 -0.511 5.951
74 2HB CYS 11 HB1 CYS 11 7.523 -1.688 7.240
75 H SER 12 HN SER 12 8.117 -3.700 6.812
76 HA SER 12 HA SER 12 8.237 -5.370 4.443
77 1HB SER 12 HB2 SER 12 6.695 -5.760 7.026
78 2HB SER 12 HB1 SER 12 6.989 -6.998 5.809
79 HG SER 12 HG SER 12 8.485 -6.920 7.649
80 H LEU 13 HN LEU 13 6.899 -5.054 2.749
81 HA LEU 13 HA LEU 13 4.478 -3.509 2.919
82 1HB LEU 13 HB2 LEU 13 6.125 -4.621 0.860
83 2HB LEU 13 HB1 LEU 13 4.466 -5.119 0.550
84 HG LEU 13 HG LEU 13 4.951 -2.968 -0.538
85 1HD1 LEU 13 HD11 LEU 13 2.732 -3.579 0.900
86 2HD1 LEU 13 HD13 LEU 13 3.211 -2.073 1.688
87 3HD1 LEU 13 HD12 LEU 13 2.898 -2.101 -0.047
88 1HD2 LEU 13 HD23 LEU 13 5.805 -2.217 2.245
89 2HD2 LEU 13 HD22 LEU 13 6.613 -1.908 0.711
90 3HD2 LEU 13 HD21 LEU 13 5.183 -0.980 1.154
91 H TYR 14 HN TYR 14 5.043 -6.738 3.819
92 HA TYR 14 HA TYR 14 2.568 -7.906 2.949
93 1HB TYR 14 HB2 TYR 14 3.163 -9.778 4.236
94 2HB TYR 14 HB1 TYR 14 4.723 -9.069 3.850
95 HD1 TYR 14 HD2 TYR 14 4.873 -6.810 5.772
96 HD2 TYR 14 HD1 TYR 14 3.425 -10.815 6.296
97 HE1 TYR 14 HE2 TYR 14 5.362 -6.666 8.198
98 HE2 TYR 14 HE1 TYR 14 3.912 -10.675 8.727
99 HH TYR 14 HH TYR 14 4.105 -8.495 10.435
100 H GLN 15 HN GLN 15 3.303 -5.628 5.444
101 HA GLN 15 HA GLN 15 1.138 -6.233 7.248
102 1HB GLN 15 HB2 GLN 15 3.276 -4.667 7.475
103 2HB GLN 15 HB1 GLN 15 2.143 -3.434 6.927
104 1HG GLN 15 HG2 GLN 15 1.029 -5.190 9.010
105 2HG GLN 15 HG1 GLN 15 2.438 -4.273 9.547
106 1HE2 GLN 15 HE22 GLN 15 0.116 -1.668 10.208
107 2HE2 GLN 15 HE21 GLN 15 1.133 -2.842 10.893
108 H LEU 16 HN LEU 16 1.097 -4.930 4.089
109 HA LEU 16 HA LEU 16 -1.043 -3.046 4.329
110 1HB LEU 16 HB2 LEU 16 0.359 -4.446 2.149
111 2HB LEU 16 HB1 LEU 16 -1.322 -4.059 1.786
112 HG LEU 16 HG LEU 16 0.734 -2.075 2.805
113 1HD1 LEU 16 HD13 LEU 16 0.842 -3.071 0.360
114 2HD1 LEU 16 HD12 LEU 16 -0.525 -1.993 0.083
115 3HD1 LEU 16 HD11 LEU 16 1.021 -1.336 0.618
116 1HD2 LEU 16 HD21 LEU 16 -2.196 -1.937 2.135
117 2HD2 LEU 16 HD23 LEU 16 -1.332 -1.217 3.494
118 3HD2 LEU 16 HD22 LEU 16 -1.183 -0.516 1.882
119 H GLU 17 HN GLU 17 -1.074 -6.459 4.678
120 HA GLU 17 HA GLU 17 -3.593 -7.144 3.567
121 1HB GLU 17 HB2 GLU 17 -1.654 -8.521 4.881
122 2HB GLU 17 HB1 GLU 17 -2.875 -8.415 6.149
123 1HG GLU 17 HG2 GLU 17 -4.389 -9.706 4.993
124 2HG GLU 17 HG1 GLU 17 -3.814 -9.158 3.418
125 H ASN 18 HN ASN 18 -2.841 -5.198 6.339
126 HA ASN 18 HA ASN 18 -5.586 -5.496 7.426
127 1HB ASN 18 HB2 ASN 18 -3.199 -5.254 8.710
128 2HB ASN 18 HB1 ASN 18 -3.704 -3.565 8.663
129 1HD2 ASN 18 HD22 ASN 18 -5.271 -5.751 11.517
130 2HD2 ASN 18 HD21 ASN 18 -3.746 -5.955 10.801
131 H TYR 19 HN TYR 19 -5.015 -4.150 4.834
132 HA TYR 19 HA TYR 19 -5.981 -1.404 5.522
133 1HB TYR 19 HB2 TYR 19 -4.176 -2.403 3.327
134 2HB TYR 19 HB1 TYR 19 -5.100 -0.918 3.110
135 HD1 TYR 19 HD2 TYR 19 -3.112 -2.516 5.875
136 HD2 TYR 19 HD1 TYR 19 -3.928 1.029 3.591
137 HE1 TYR 19 HE2 TYR 19 -1.421 -1.274 7.196
138 HE2 TYR 19 HE1 TYR 19 -2.228 2.271 4.908
139 HH TYR 19 HH TYR 19 -0.068 1.528 6.275
140 H CYS 20 HN CYS 20 -7.395 -4.110 4.895
141 HA CYS 20 HA CYS 20 -8.934 -3.249 2.492
142 1HB CYS 20 HB2 CYS 20 -8.794 -5.903 3.948
143 2HB CYS 20 HB1 CYS 20 -9.838 -5.581 2.564
144 H ASN 21 HN ASN 21 -9.238 -2.110 5.276
145 HA ASN 21 HA ASN 21 -12.003 -3.032 5.909
146 1HB ASN 21 HB2 ASN 21 -10.002 -2.689 7.642
147 2HB ASN 21 HB1 ASN 21 -10.580 -1.023 7.602
148 1HD2 ASN 21 HD21 ASN 21 -11.918 -4.367 7.911
149 2HD2 ASN 21 HD22 ASN 21 -13.129 -3.933 9.019
150 1H PHE 1 HT1 PHE 1 5.664 -3.421 -5.123
151 2H PHE 1 HT3 PHE 1 5.468 -1.814 -5.615
152 3H PHE 1 HT2 PHE 1 7.000 -2.380 -5.158
153 HA PHE 1 HA PHE 1 6.137 -1.058 -3.395
154 1HB PHE 1 HB2 PHE 1 4.023 -1.664 -2.278
155 2HB PHE 1 HB1 PHE 1 3.757 -1.232 -3.965
156 HD1 PHE 1 HD1 PHE 1 3.477 -3.107 -5.685
157 HD2 PHE 1 HD2 PHE 1 3.453 -3.799 -1.443
158 HE1 PHE 1 HE1 PHE 1 2.403 -5.300 -6.045
159 HE2 PHE 1 HE2 PHE 1 2.374 -5.995 -1.810
160 HZ PHE 1 HZ PHE 1 1.851 -6.743 -4.104
161 H VAL 2 HN VAL 2 5.844 -4.614 -3.658
162 HA VAL 2 HA VAL 2 6.347 -5.352 -1.007
163 HB VAL 2 HB VAL 2 7.492 -6.686 -3.478
164 1HG1 VAL 2 HG11 VAL 2 8.181 -7.357 -1.024
165 2HG1 VAL 2 HG13 VAL 2 6.575 -8.085 -0.982
166 3HG1 VAL 2 HG12 VAL 2 7.752 -8.612 -2.185
167 1HG2 VAL 2 HG22 VAL 2 4.755 -6.655 -2.230
168 2HG2 VAL 2 HG21 VAL 2 5.198 -6.554 -3.933
169 3HG2 VAL 2 HG23 VAL 2 5.315 -8.093 -3.083
170 H ASN 3 HN ASN 3 8.700 -4.337 -3.474
171 HA ASN 3 HA ASN 3 10.700 -4.032 -1.280
172 1HB ASN 3 HB2 ASN 3 11.112 -5.315 -3.989
173 2HB ASN 3 HB1 ASN 3 12.452 -4.728 -3.002
174 1HD2 ASN 3 HD22 ASN 3 11.038 -8.351 -2.215
175 2HD2 ASN 3 HD21 ASN 3 10.829 -7.530 -3.686
176 H GLN 4 HN GLN 4 8.910 -2.116 -2.676
177 HA GLN 4 HA GLN 4 11.009 -0.407 -3.946
178 1HB GLN 4 HB2 GLN 4 8.040 -0.612 -4.501
179 2HB GLN 4 HB1 GLN 4 9.027 0.733 -5.078
180 1HG GLN 4 HG2 GLN 4 10.592 -1.209 -5.962
181 2HG GLN 4 HG1 GLN 4 9.104 -2.153 -5.883
182 1HE2 GLN 4 HE22 GLN 4 9.452 0.836 -8.662
183 2HE2 GLN 4 HE21 GLN 4 10.576 0.725 -7.395
184 H HIS 5 HN HIS 5 7.758 0.546 -2.856
185 HA HIS 5 HA HIS 5 8.484 1.626 -0.324
186 1HB HIS 5 HB2 HIS 5 9.136 3.290 -2.682
187 2HB HIS 5 HB1 HIS 5 8.186 4.120 -1.451
188 HD1 HIS 5 HD1 HIS 5 11.329 4.547 -2.114
189 HD2 HIS 5 HD2 HIS 5 9.731 2.450 1.111
190 HE1 HIS 5 HE1 HIS 5 13.124 4.494 -0.329
191 H LEU 6 HN LEU 6 6.808 3.727 -0.016
192 HA LEU 6 HA LEU 6 4.213 2.911 -1.249
193 1HB LEU 6 HB2 LEU 6 4.734 3.440 1.693
194 2HB LEU 6 HB1 LEU 6 3.133 3.244 0.984
195 HG LEU 6 HG LEU 6 5.272 1.153 0.624
196 1HD1 LEU 6 HD11 LEU 6 4.402 1.881 3.118
197 2HD1 LEU 6 HD13 LEU 6 3.193 0.674 2.675
198 3HD1 LEU 6 HD12 LEU 6 4.904 0.246 2.687
199 1HD2 LEU 6 HD21 LEU 6 2.297 1.372 0.259
200 2HD2 LEU 6 HD23 LEU 6 3.503 0.709 -0.843
201 3HD2 LEU 6 HD22 LEU 6 3.010 -0.205 0.581
202 H CYS 7 HN CYS 7 5.790 5.079 -2.093
203 HA CYS 7 HA CYS 7 4.301 7.430 -0.987
204 1HB CYS 7 HB2 CYS 7 6.949 7.431 -2.467
205 2HB CYS 7 HB1 CYS 7 6.167 8.821 -1.714
206 H GLY 8 HN GLY 8 3.103 8.652 -2.400
207 1HA GLY 8 HA2 GLY 8 2.246 9.434 -4.458
208 2HA GLY 8 HA1 GLY 8 3.508 8.525 -5.288
209 H SER 9 HN SER 9 2.267 7.416 -6.780
210 HA SER 9 HA SER 9 -0.228 6.096 -6.036
211 1HB SER 9 HB2 SER 9 1.282 5.443 -8.542
212 2HB SER 9 HB1 SER 9 -0.457 5.596 -8.294
213 HG SER 9 HG SER 9 -0.309 7.674 -8.628
214 H HIS 10 HN HIS 10 2.943 5.266 -5.368
215 HA HIS 10 HA HIS 10 2.970 2.470 -6.036
216 1HB HIS 10 HB2 HIS 10 4.542 4.280 -4.286
217 2HB HIS 10 HB1 HIS 10 4.589 2.564 -3.890
218 HD1 HIS 10 HD1 HIS 10 6.278 4.956 -5.934
219 HD2 HIS 10 HD2 HIS 10 5.144 0.979 -6.459
220 HE1 HIS 10 HE1 HIS 10 7.699 4.050 -7.824
221 H LEU 11 HN LEU 11 1.660 4.313 -3.351
222 HA LEU 11 HA LEU 11 1.199 2.071 -1.602
223 1HB LEU 11 HB2 LEU 11 1.193 4.383 -0.759
224 2HB LEU 11 HB1 LEU 11 -0.206 4.760 -1.762
225 HG LEU 11 HG LEU 11 -1.544 3.081 -0.537
226 1HD1 LEU 11 HD13 LEU 11 1.034 2.716 1.011
227 2HD1 LEU 11 HD12 LEU 11 -0.534 2.166 1.604
228 3HD1 LEU 11 HD11 LEU 11 0.135 1.488 0.119
229 1HD2 LEU 11 HD22 LEU 11 -0.174 5.334 0.873
230 2HD2 LEU 11 HD21 LEU 11 -1.876 5.146 0.451
231 3HD2 LEU 11 HD23 LEU 11 -1.203 4.263 1.822
232 H VAL 12 HN VAL 12 -1.075 3.928 -3.658
233 HA VAL 12 HA VAL 12 -3.348 2.322 -3.346
234 HB VAL 12 HB VAL 12 -2.477 3.645 -5.929
235 1HG1 VAL 12 HG12 VAL 12 -5.082 2.641 -4.806
236 2HG1 VAL 12 HG11 VAL 12 -5.078 3.994 -5.938
237 3HG1 VAL 12 HG13 VAL 12 -4.417 2.434 -6.426
238 1HG2 VAL 12 HG23 VAL 12 -3.447 4.724 -3.319
239 2HG2 VAL 12 HG22 VAL 12 -2.361 5.454 -4.504
240 3HG2 VAL 12 HG21 VAL 12 -4.103 5.451 -4.787
241 H GLU 13 HN GLU 13 -0.713 1.892 -5.717
242 HA GLU 13 HA GLU 13 -1.856 -0.370 -7.043
243 1HB GLU 13 HB2 GLU 13 0.947 0.694 -6.756
244 2HB GLU 13 HB1 GLU 13 0.656 -0.848 -7.562
245 1HG GLU 13 HG2 GLU 13 -0.644 0.150 -9.263
246 2HG GLU 13 HG1 GLU 13 -0.890 1.626 -8.327
247 H ALA 14 HN ALA 14 0.123 -0.064 -4.130
248 HA ALA 14 HA ALA 14 0.671 -2.880 -3.852
249 1HB ALA 14 HB3 ALA 14 1.796 -0.840 -2.668
250 2HB ALA 14 HB2 ALA 14 0.483 -1.010 -1.503
251 3HB ALA 14 HB1 ALA 14 1.602 -2.348 -1.774
252 H LEU 15 HN LEU 15 -2.035 -0.820 -2.948
253 HA LEU 15 HA LEU 15 -3.272 -2.723 -1.144
254 1HB LEU 15 HB2 LEU 15 -4.686 -0.599 -2.781
255 2HB LEU 15 HB1 LEU 15 -5.234 -1.327 -1.272
256 HG LEU 15 HG LEU 15 -2.799 0.442 -1.613
257 1HD1 LEU 15 HD13 LEU 15 -4.953 1.640 -1.713
258 2HD1 LEU 15 HD12 LEU 15 -5.426 0.898 -0.184
259 3HD1 LEU 15 HD11 LEU 15 -4.070 2.024 -0.235
260 1HD2 LEU 15 HD23 LEU 15 -3.814 -1.246 0.634
261 2HD2 LEU 15 HD22 LEU 15 -2.153 -0.871 0.173
262 3HD2 LEU 15 HD21 LEU 15 -3.124 0.328 1.030
263 H GLU 16 HN GLU 16 -3.474 -2.055 -4.613
264 HA GLU 16 HA GLU 16 -5.665 -3.799 -5.202
265 1HB GLU 16 HB2 GLU 16 -3.307 -3.063 -6.967
266 2HB GLU 16 HB1 GLU 16 -4.851 -3.715 -7.518
267 1HG GLU 16 HG2 GLU 16 -6.017 -1.741 -6.619
268 2HG GLU 16 HG1 GLU 16 -4.481 -1.086 -6.051
269 H LEU 17 HN LEU 17 -2.151 -4.355 -5.083
270 HA LEU 17 HA LEU 17 -2.205 -7.054 -6.015
271 1HB LEU 17 HB2 LEU 17 -0.266 -5.236 -4.961
272 2HB LEU 17 HB1 LEU 17 -0.115 -6.757 -4.086
273 HG LEU 17 HG LEU 17 1.308 -6.914 -5.998
274 1HD1 LEU 17 HD13 LEU 17 -0.560 -8.787 -5.526
275 2HD1 LEU 17 HD12 LEU 17 -0.960 -8.382 -7.195
276 3HD1 LEU 17 HD11 LEU 17 0.660 -8.946 -6.789
277 1HD2 LEU 17 HD22 LEU 17 -1.051 -5.780 -7.467
278 2HD2 LEU 17 HD21 LEU 17 0.612 -5.183 -7.419
279 3HD2 LEU 17 HD23 LEU 17 0.221 -6.645 -8.329
280 H VAL 18 HN VAL 18 -1.987 -5.812 -2.674
281 HA VAL 18 HA VAL 18 -2.209 -8.275 -1.320
282 HB VAL 18 HB VAL 18 -3.297 -5.588 -0.418
283 1HG1 VAL 18 HG13 VAL 18 -3.705 -7.948 0.812
284 2HG1 VAL 18 HG12 VAL 18 -2.103 -7.579 1.446
285 3HG1 VAL 18 HG11 VAL 18 -3.435 -6.452 1.705
286 1HG2 VAL 18 HG21 VAL 18 -0.707 -6.131 -1.186
287 2HG2 VAL 18 HG23 VAL 18 -1.163 -4.904 -0.005
288 3HG2 VAL 18 HG22 VAL 18 -0.655 -6.503 0.536
289 H CYS 19 HN CYS 19 -4.938 -5.947 -1.445
290 HA CYS 19 HA CYS 19 -6.833 -8.156 -1.128
291 1HB CYS 19 HB2 CYS 19 -6.861 -5.278 -0.802
292 2HB CYS 19 HB1 CYS 19 -8.223 -5.767 -1.801
293 H GLY 20 HN GLY 20 -6.962 -5.486 -3.504
294 1HA GLY 20 HA2 GLY 20 -6.928 -5.740 -5.901
295 2HA GLY 20 HA1 GLY 20 -7.146 -7.477 -5.693
296 H GLU 21 HN GLU 21 -9.364 -6.625 -3.619
297 HA GLU 21 HA GLU 21 -11.595 -7.061 -5.326
298 1HB GLU 21 HB2 GLU 21 -11.220 -6.140 -2.508
299 2HB GLU 21 HB1 GLU 21 -12.805 -5.912 -3.248
300 1HG GLU 21 HG2 GLU 21 -13.178 -8.191 -3.483
301 2HG GLU 21 HG1 GLU 21 -11.456 -8.572 -3.535
302 H ARG 22 HN ARG 22 -13.369 -5.516 -5.779
303 HA ARG 22 HA ARG 22 -12.290 -2.958 -6.748
304 1HB ARG 22 HB2 ARG 22 -13.934 -4.443 -8.028
305 2HB ARG 22 HB1 ARG 22 -15.162 -3.899 -6.885
306 1HG ARG 22 HG2 ARG 22 -15.244 -2.463 -8.845
307 2HG ARG 22 HG1 ARG 22 -14.604 -1.532 -7.490
308 1HD ARG 22 HD2 ARG 22 -12.477 -2.898 -8.928
309 2HD ARG 22 HD1 ARG 22 -13.407 -1.864 -10.008
310 HE ARG 22 HE ARG 22 -11.490 -0.990 -8.080
311 1HH1 ARG 22 HH21 ARG 22 -14.699 -0.150 -9.169
312 2HH1 ARG 22 HH22 ARG 22 -14.640 1.417 -8.444
313 1HH2 ARG 22 HH11 ARG 22 -11.445 1.049 -7.182
314 2HH2 ARG 22 HH12 ARG 22 -12.817 2.096 -7.337
315 H GLY 23 HN GLY 23 -12.098 -1.383 -5.220
316 1HA GLY 23 HA2 GLY 23 -12.805 0.231 -3.661
317 2HA GLY 23 HA1 GLY 23 -14.456 -0.342 -3.906
318 H GLY 24 HN GLY 24 -11.655 -2.234 -2.823
319 1HA GLY 24 HA2 GLY 24 -13.169 -2.843 -0.319
320 2HA GLY 24 HA1 GLY 24 -11.997 -3.932 -1.063
321 H PHE 25 HN PHE 25 -10.192 -1.535 -1.596
322 HA PHE 25 HA PHE 25 -9.116 -1.323 1.184
323 1HB PHE 25 HB2 PHE 25 -6.912 -0.819 -0.065
324 2HB PHE 25 HB1 PHE 25 -7.493 -2.482 -0.093
325 HD1 PHE 25 HD1 PHE 25 -8.457 -3.451 -2.119
326 HD2 PHE 25 HD2 PHE 25 -6.991 0.587 -2.073
327 HE1 PHE 25 HE1 PHE 25 -8.507 -3.408 -4.594
328 HE2 PHE 25 HE2 PHE 25 -7.043 0.632 -4.553
329 HZ PHE 25 HZ PHE 25 -7.802 -1.365 -5.815
330 H TYR 26 HN TYR 26 -7.431 0.716 1.081
331 HA TYR 26 HA TYR 26 -8.964 3.056 1.259
332 1HB TYR 26 HB2 TYR 26 -6.792 2.963 2.277
333 2HB TYR 26 HB1 TYR 26 -6.012 2.626 0.739
334 HD1 TYR 26 HD2 TYR 26 -8.582 5.219 1.628
335 HD2 TYR 26 HD1 TYR 26 -4.567 4.408 0.333
336 HE1 TYR 26 HE2 TYR 26 -8.206 7.645 1.278
337 HE2 TYR 26 HE1 TYR 26 -4.191 6.835 -0.020
338 HH TYR 26 HH TYR 26 -6.319 9.215 1.172
339 H THR 27 HN THR 27 -9.579 4.645 -0.163
340 HA THR 27 HA THR 27 -8.702 4.406 -3.010
341 HB THR 27 HB THR 27 -11.172 5.283 -3.413
342 HG1 THR 27 HG1 THR 27 -12.239 5.267 -1.616
343 1HG2 THR 27 HG23 THR 27 -10.403 2.419 -2.800
344 2HG2 THR 27 HG22 THR 27 -11.899 2.883 -3.611
345 3HG2 THR 27 HG21 THR 27 -10.343 3.223 -4.367
346 HA PRO 28 HA PRO 28 -7.812 8.657 -1.493
347 1HB PRO 28 HB2 PRO 28 -6.188 9.025 -3.845
348 2HB PRO 28 HB1 PRO 28 -5.658 8.878 -2.164
349 1HG PRO 28 HG2 PRO 28 -5.403 6.932 -4.269
350 2HG PRO 28 HG1 PRO 28 -4.861 6.800 -2.590
351 1HD PRO 28 HD2 PRO 28 -7.064 5.444 -3.830
352 2HD PRO 28 HD1 PRO 28 -6.548 5.353 -2.138
353 H LYS 29 HN LYS 29 -7.780 10.780 -3.031
354 HA LYS 29 HA LYS 29 -9.067 12.174 -4.407
355 1HB LYS 29 HB2 LYS 29 -8.826 9.622 -5.893
356 2HB LYS 29 HB1 LYS 29 -10.165 10.654 -6.395
357 1HG LYS 29 HG2 LYS 29 -7.340 11.687 -6.065
358 2HG LYS 29 HG1 LYS 29 -7.960 11.074 -7.598
359 1HD LYS 29 HD2 LYS 29 -9.810 12.733 -7.484
360 2HD LYS 29 HD1 LYS 29 -9.113 13.380 -6.000
361 1HE LYS 29 HE2 LYS 29 -6.958 13.346 -7.767
362 2HE LYS 29 HE1 LYS 29 -8.319 13.841 -8.776
363 1HZ LYS 29 HZ3 LYS 29 -8.857 15.423 -6.871
364 2HZ LYS 29 HZ2 LYS 29 -7.274 15.125 -6.330
365 3HZ LYS 29 HZ1 LYS 29 -7.535 15.811 -7.863
No H/Q in entry = 365
Start of MODEL 3
1 1H GLY 1 HT1 GLY 1 -1.757 9.311 8.644
2 2H GLY 1 HT3 GLY 1 -2.767 9.643 9.967
3 3H GLY 1 HT2 GLY 1 -1.239 10.377 9.860
4 1HA GLY 1 HA2 GLY 1 -0.103 8.448 10.378
5 2HA GLY 1 HA1 GLY 1 -1.513 8.393 11.435
6 H ILE 2 HN ILE 2 -0.629 7.462 8.092
7 HA ILE 2 HA ILE 2 -1.472 4.716 8.548
8 HB ILE 2 HB ILE 2 -3.676 5.789 8.258
9 1HG1 ILE 2 HG12 ILE 2 -2.888 4.231 5.775
10 2HG1 ILE 2 HG11 ILE 2 -3.234 3.496 7.341
11 1HG2 ILE 2 HG23 ILE 2 -2.631 7.651 6.782
12 2HG2 ILE 2 HG22 ILE 2 -2.875 6.523 5.448
13 3HG2 ILE 2 HG21 ILE 2 -4.256 7.091 6.387
14 1HD1 ILE 2 HD13 ILE 2 -5.218 5.346 6.023
15 2HD1 ILE 2 HD12 ILE 2 -5.167 3.630 5.618
16 3HD1 ILE 2 HD11 ILE 2 -5.506 4.136 7.275
17 H VAL 3 HN VAL 3 -0.787 7.220 6.095
18 HA VAL 3 HA VAL 3 0.459 5.196 4.331
19 HB VAL 3 HB VAL 3 0.235 8.200 3.975
20 1HG1 VAL 3 HG12 VAL 3 1.841 6.430 2.619
21 2HG1 VAL 3 HG11 VAL 3 0.377 6.397 1.640
22 3HG1 VAL 3 HG13 VAL 3 1.205 7.924 1.935
23 1HG2 VAL 3 HG22 VAL 3 -1.634 5.923 3.435
24 2HG2 VAL 3 HG21 VAL 3 -1.995 7.571 3.952
25 3HG2 VAL 3 HG23 VAL 3 -1.577 7.248 2.269
26 H GLU 4 HN GLU 4 1.353 7.683 6.621
27 HA GLU 4 HA GLU 4 4.061 8.106 5.847
28 1HB GLU 4 HB2 GLU 4 4.386 8.758 8.247
29 2HB GLU 4 HB1 GLU 4 2.994 9.538 7.497
30 1HG GLU 4 HG2 GLU 4 1.481 8.365 8.760
31 2HG GLU 4 HG1 GLU 4 2.489 6.919 8.810
32 H GLN 5 HN GLN 5 2.530 5.330 7.235
33 HA GLN 5 HA GLN 5 4.459 4.122 8.815
34 1HB GLN 5 HB2 GLN 5 2.199 3.195 8.250
35 2HB GLN 5 HB1 GLN 5 2.845 2.694 6.687
36 1HG GLN 5 HG2 GLN 5 3.180 0.756 7.921
37 2HG GLN 5 HG1 GLN 5 4.720 1.574 8.183
38 1HE2 GLN 5 HE22 GLN 5 4.006 0.974 11.629
39 2HE2 GLN 5 HE21 GLN 5 4.913 0.448 10.295
40 H CYS 6 HN CYS 6 4.224 3.522 5.263
41 HA CYS 6 HA CYS 6 7.131 2.839 5.350
42 1HB CYS 6 HB2 CYS 6 5.282 2.089 3.096
43 2HB CYS 6 HB1 CYS 6 6.809 1.338 3.561
44 H CYS 7 HN CYS 7 5.342 5.471 4.644
45 HA CYS 7 HA CYS 7 6.233 6.112 1.968
46 1HB CYS 7 HB2 CYS 7 4.702 7.412 4.102
47 2HB CYS 7 HB1 CYS 7 5.753 8.545 3.258
48 H THR 8 HN THR 8 7.596 6.487 5.181
49 HA THR 8 HA THR 8 9.685 8.341 4.310
50 HB THR 8 HB THR 8 9.889 6.730 6.831
51 HG1 THR 8 HG1 THR 8 8.059 8.826 6.299
52 1HG2 THR 8 HG23 THR 8 10.566 9.515 5.898
53 2HG2 THR 8 HG22 THR 8 10.505 9.120 7.615
54 3HG2 THR 8 HG21 THR 8 11.643 8.285 6.558
55 H SER 9 HN SER 9 9.659 4.922 5.398
56 HA SER 9 HA SER 9 12.105 4.515 3.726
57 1HB SER 9 HB2 SER 9 12.267 4.517 6.391
58 2HB SER 9 HB1 SER 9 11.699 2.861 6.182
59 HG SER 9 HG SER 9 14.021 3.128 6.118
60 H ILE 10 HN ILE 10 12.418 1.912 3.684
61 HA ILE 10 HA ILE 10 9.991 0.926 2.355
62 HB ILE 10 HB ILE 10 12.798 0.568 2.052
63 1HG1 ILE 10 HG12 ILE 10 11.224 0.803 0.221
64 2HG1 ILE 10 HG11 ILE 10 12.145 -0.674 0.020
65 1HG2 ILE 10 HG22 ILE 10 11.409 -2.026 2.698
66 2HG2 ILE 10 HG21 ILE 10 12.926 -1.916 1.802
67 3HG2 ILE 10 HG23 ILE 10 12.845 -1.357 3.474
68 1HD1 ILE 10 HD12 ILE 10 9.708 -1.086 1.583
69 2HD1 ILE 10 HD11 ILE 10 9.379 -0.473 -0.036
70 3HD1 ILE 10 HD13 ILE 10 10.299 -1.961 0.173
71 H CYS 11 HN CYS 11 8.629 -0.663 3.201
72 HA CYS 11 HA CYS 11 9.414 -1.776 5.857
73 1HB CYS 11 HB2 CYS 11 7.163 -1.551 6.646
74 2HB CYS 11 HB1 CYS 11 7.612 -0.005 5.941
75 H SER 12 HN SER 12 7.149 -3.490 6.100
76 HA SER 12 HA SER 12 7.746 -5.469 3.943
77 1HB SER 12 HB2 SER 12 8.102 -5.816 6.616
78 2HB SER 12 HB1 SER 12 6.439 -6.373 6.453
79 HG SER 12 HG SER 12 8.474 -7.806 6.000
80 H LEU 13 HN LEU 13 6.002 -6.336 2.813
81 HA LEU 13 HA LEU 13 3.542 -4.867 2.787
82 1HB LEU 13 HB2 LEU 13 4.795 -6.609 1.068
83 2HB LEU 13 HB1 LEU 13 3.441 -7.582 1.642
84 HG LEU 13 HG LEU 13 2.822 -6.320 -0.380
85 1HD1 LEU 13 HD12 LEU 13 1.086 -6.751 1.313
86 2HD1 LEU 13 HD11 LEU 13 1.498 -5.239 2.116
87 3HD1 LEU 13 HD13 LEU 13 0.808 -5.210 0.500
88 1HD2 LEU 13 HD22 LEU 13 4.452 -4.405 0.213
89 2HD2 LEU 13 HD21 LEU 13 2.912 -3.962 -0.522
90 3HD2 LEU 13 HD23 LEU 13 3.145 -3.776 1.214
91 H TYR 14 HN TYR 14 4.586 -7.386 4.869
92 HA TYR 14 HA TYR 14 2.144 -8.762 5.359
93 1HB TYR 14 HB2 TYR 14 4.310 -8.097 7.374
94 2HB TYR 14 HB1 TYR 14 3.133 -9.405 7.490
95 HD1 TYR 14 HD1 TYR 14 3.037 -10.776 5.065
96 HD2 TYR 14 HD2 TYR 14 6.436 -8.821 6.812
97 HE1 TYR 14 HE1 TYR 14 4.550 -12.255 3.770
98 HE2 TYR 14 HE2 TYR 14 7.952 -10.298 5.519
99 HH TYR 14 HH TYR 14 7.032 -13.099 4.118
100 H GLN 15 HN GLN 15 3.108 -5.519 6.151
101 HA GLN 15 HA GLN 15 1.085 -5.234 8.279
102 1HB GLN 15 HB2 GLN 15 3.085 -3.352 7.015
103 2HB GLN 15 HB1 GLN 15 1.869 -2.796 8.165
104 1HG GLN 15 HG2 GLN 15 2.875 -3.837 9.943
105 2HG GLN 15 HG1 GLN 15 3.436 -5.193 8.963
106 1HE2 GLN 15 HE22 GLN 15 6.080 -2.398 9.866
107 2HE2 GLN 15 HE21 GLN 15 4.668 -2.742 10.747
108 H LEU 16 HN LEU 16 1.628 -4.115 4.942
109 HA LEU 16 HA LEU 16 -0.731 -2.484 4.783
110 1HB LEU 16 HB2 LEU 16 1.328 -3.492 2.959
111 2HB LEU 16 HB1 LEU 16 -0.255 -3.372 2.191
112 HG LEU 16 HG LEU 16 1.048 -1.138 3.771
113 1HD1 LEU 16 HD13 LEU 16 0.999 -1.788 0.819
114 2HD1 LEU 16 HD12 LEU 16 1.278 -0.148 1.410
115 3HD1 LEU 16 HD11 LEU 16 2.398 -1.440 1.837
116 1HD2 LEU 16 HD23 LEU 16 -1.612 -1.524 3.094
117 2HD2 LEU 16 HD22 LEU 16 -0.867 0.041 3.418
118 3HD2 LEU 16 HD21 LEU 16 -1.019 -0.536 1.760
119 H GLU 17 HN GLU 17 -0.257 -5.931 4.616
120 HA GLU 17 HA GLU 17 -2.511 -6.701 3.069
121 1HB GLU 17 HB2 GLU 17 -0.567 -8.110 4.169
122 2HB GLU 17 HB1 GLU 17 -1.714 -8.275 5.495
123 1HG GLU 17 HG2 GLU 17 -2.701 -9.945 4.350
124 2HG GLU 17 HG1 GLU 17 -3.225 -8.751 3.163
125 H ASN 18 HN ASN 18 -2.379 -5.273 6.227
126 HA ASN 18 HA ASN 18 -5.126 -6.174 6.878
127 1HB ASN 18 HB2 ASN 18 -3.131 -5.984 8.558
128 2HB ASN 18 HB1 ASN 18 -3.504 -4.260 8.542
129 1HD2 ASN 18 HD22 ASN 18 -6.089 -6.869 10.345
130 2HD2 ASN 18 HD21 ASN 18 -4.810 -7.456 9.396
131 H TYR 19 HN TYR 19 -4.556 -4.316 4.616
132 HA TYR 19 HA TYR 19 -5.884 -1.839 5.606
133 1HB TYR 19 HB2 TYR 19 -4.043 -2.456 3.327
134 2HB TYR 19 HB1 TYR 19 -5.203 -1.144 3.129
135 HD1 TYR 19 HD2 TYR 19 -3.224 -2.347 6.094
136 HD2 TYR 19 HD1 TYR 19 -4.113 0.897 3.416
137 HE1 TYR 19 HE2 TYR 19 -1.766 -0.845 7.425
138 HE2 TYR 19 HE1 TYR 19 -2.657 2.398 4.750
139 HH TYR 19 HH TYR 19 -0.407 1.614 6.591
140 H CYS 20 HN CYS 20 -6.922 -4.701 4.550
141 HA CYS 20 HA CYS 20 -8.762 -3.723 2.438
142 1HB CYS 20 HB2 CYS 20 -8.429 -6.499 3.612
143 2HB CYS 20 HB1 CYS 20 -9.366 -6.078 2.179
144 H ASN 21 HN ASN 21 -9.105 -2.709 5.155
145 HA ASN 21 HA ASN 21 -11.357 -4.168 6.334
146 1HB ASN 21 HB2 ASN 21 -10.152 -1.457 6.971
147 2HB ASN 21 HB1 ASN 21 -11.417 -2.239 7.919
148 1HD2 ASN 21 HD22 ASN 21 -7.705 -3.134 8.862
149 2HD2 ASN 21 HD21 ASN 21 -8.238 -1.686 8.155
150 1H PHE 1 HT1 PHE 1 7.264 -3.479 -4.536
151 2H PHE 1 HT3 PHE 1 5.821 -4.349 -4.356
152 3H PHE 1 HT2 PHE 1 5.770 -2.704 -4.763
153 HA PHE 1 HA PHE 1 6.707 -2.089 -2.644
154 1HB PHE 1 HB2 PHE 1 4.815 -3.013 -1.160
155 2HB PHE 1 HB1 PHE 1 4.350 -2.064 -2.571
156 HD1 PHE 1 HD2 PHE 1 5.061 -5.621 -1.595
157 HD2 PHE 1 HD1 PHE 1 2.752 -2.929 -4.014
158 HE1 PHE 1 HE2 PHE 1 3.718 -7.527 -2.436
159 HE2 PHE 1 HE1 PHE 1 1.408 -4.832 -4.853
160 HZ PHE 1 HZ PHE 1 1.892 -7.127 -4.061
161 H VAL 2 HN VAL 2 7.116 -5.426 -3.395
162 HA VAL 2 HA VAL 2 7.587 -6.499 -0.794
163 HB VAL 2 HB VAL 2 8.975 -7.226 -3.396
164 1HG1 VAL 2 HG12 VAL 2 9.885 -8.068 -1.119
165 2HG1 VAL 2 HG11 VAL 2 8.409 -9.028 -1.040
166 3HG1 VAL 2 HG13 VAL 2 9.552 -9.275 -2.361
167 1HG2 VAL 2 HG23 VAL 2 6.313 -7.242 -3.083
168 2HG2 VAL 2 HG22 VAL 2 7.147 -8.532 -3.949
169 3HG2 VAL 2 HG21 VAL 2 6.672 -8.764 -2.268
170 H ASN 3 HN ASN 3 9.571 -4.614 -2.997
171 HA ASN 3 HA ASN 3 11.384 -3.943 -0.775
172 1HB ASN 3 HB2 ASN 3 13.408 -4.439 -2.150
173 2HB ASN 3 HB1 ASN 3 12.501 -5.890 -1.721
174 1HD2 ASN 3 HD22 ASN 3 11.364 -6.473 -5.083
175 2HD2 ASN 3 HD21 ASN 3 10.951 -6.718 -3.455
176 H GLN 4 HN GLN 4 9.368 -2.668 -2.713
177 HA GLN 4 HA GLN 4 11.163 -0.689 -4.016
178 1HB GLN 4 HB2 GLN 4 8.210 -1.290 -4.375
179 2HB GLN 4 HB1 GLN 4 9.039 0.053 -5.166
180 1HG GLN 4 HG2 GLN 4 10.717 -1.740 -5.993
181 2HG GLN 4 HG1 GLN 4 9.468 -2.905 -5.552
182 1HE2 GLN 4 HE22 GLN 4 9.074 -1.548 -9.132
183 2HE2 GLN 4 HE21 GLN 4 10.477 -2.027 -8.303
184 H HIS 5 HN HIS 5 7.872 0.135 -3.005
185 HA HIS 5 HA HIS 5 8.380 1.199 -0.447
186 1HB HIS 5 HB2 HIS 5 9.322 2.913 -2.666
187 2HB HIS 5 HB1 HIS 5 8.273 3.729 -1.507
188 HD1 HIS 5 HD1 HIS 5 11.710 3.144 -2.016
189 HD2 HIS 5 HD2 HIS 5 9.272 2.754 1.344
190 HE1 HIS 5 HE1 HIS 5 13.247 3.078 -0.003
191 H LEU 6 HN LEU 6 6.622 2.855 0.158
192 HA LEU 6 HA LEU 6 4.234 2.518 -1.607
193 1HB LEU 6 HB2 LEU 6 4.054 2.486 1.413
194 2HB LEU 6 HB1 LEU 6 2.818 2.039 0.250
195 HG LEU 6 HG LEU 6 3.596 -0.012 1.123
196 1HD1 LEU 6 HD12 LEU 6 4.004 0.567 -1.583
197 2HD1 LEU 6 HD11 LEU 6 5.453 -0.306 -1.091
198 3HD1 LEU 6 HD13 LEU 6 3.861 -1.030 -0.857
199 1HD2 LEU 6 HD21 LEU 6 6.078 1.433 1.442
200 2HD2 LEU 6 HD23 LEU 6 5.557 -0.060 2.214
201 3HD2 LEU 6 HD22 LEU 6 6.385 -0.117 0.660
202 H CYS 7 HN CYS 7 4.623 4.697 -2.347
203 HA CYS 7 HA CYS 7 3.417 6.696 -0.594
204 1HB CYS 7 HB2 CYS 7 6.131 6.507 -0.408
205 2HB CYS 7 HB1 CYS 7 5.978 7.654 -1.738
206 H GLY 8 HN GLY 8 2.423 8.316 -1.769
207 1HA GLY 8 HA2 GLY 8 1.794 9.576 -3.672
208 2HA GLY 8 HA1 GLY 8 3.101 8.806 -4.574
209 H SER 9 HN SER 9 2.576 7.163 -5.952
210 HA SER 9 HA SER 9 -0.249 6.179 -5.883
211 1HB SER 9 HB2 SER 9 -0.098 5.835 -8.239
212 2HB SER 9 HB1 SER 9 0.603 7.422 -7.941
213 HG SER 9 HG SER 9 2.082 6.413 -9.180
214 H HIS 10 HN HIS 10 3.012 5.208 -5.383
215 HA HIS 10 HA HIS 10 2.868 2.478 -6.246
216 1HB HIS 10 HB2 HIS 10 4.494 3.800 -4.056
217 2HB HIS 10 HB1 HIS 10 4.741 2.142 -4.603
218 HD1 HIS 10 HD1 HIS 10 4.842 2.144 -7.489
219 HD2 HIS 10 HD2 HIS 10 6.244 5.456 -5.382
220 HE1 HIS 10 HE1 HIS 10 6.387 3.391 -9.060
221 H LEU 11 HN LEU 11 1.867 4.125 -3.291
222 HA LEU 11 HA LEU 11 1.374 1.784 -1.719
223 1HB LEU 11 HB2 LEU 11 1.461 3.997 -0.680
224 2HB LEU 11 HB1 LEU 11 0.082 4.532 -1.635
225 HG LEU 11 HG LEU 11 -1.346 2.845 -0.517
226 1HD1 LEU 11 HD12 LEU 11 0.488 1.213 -0.049
227 2HD1 LEU 11 HD11 LEU 11 1.093 2.300 1.200
228 3HD1 LEU 11 HD13 LEU 11 -0.496 1.559 1.370
229 1HD2 LEU 11 HD23 LEU 11 -0.726 5.223 0.448
230 2HD2 LEU 11 HD22 LEU 11 -1.657 4.090 1.429
231 3HD2 LEU 11 HD21 LEU 11 0.074 4.278 1.706
232 H VAL 12 HN VAL 12 -0.897 3.805 -3.618
233 HA VAL 12 HA VAL 12 -3.215 2.251 -3.301
234 HB VAL 12 HB VAL 12 -2.423 3.630 -5.882
235 1HG1 VAL 12 HG12 VAL 12 -4.987 2.707 -4.604
236 2HG1 VAL 12 HG11 VAL 12 -5.008 4.103 -5.684
237 3HG1 VAL 12 HG13 VAL 12 -4.452 2.538 -6.276
238 1HG2 VAL 12 HG23 VAL 12 -3.112 4.700 -3.189
239 2HG2 VAL 12 HG22 VAL 12 -2.147 5.426 -4.478
240 3HG2 VAL 12 HG21 VAL 12 -3.908 5.468 -4.563
241 H GLU 13 HN GLU 13 -0.780 1.942 -5.905
242 HA GLU 13 HA GLU 13 -1.977 -0.257 -7.242
243 1HB GLU 13 HB2 GLU 13 0.604 1.117 -7.250
244 2HB GLU 13 HB1 GLU 13 0.784 -0.614 -7.537
245 1HG GLU 13 HG2 GLU 13 -1.419 0.739 -9.006
246 2HG GLU 13 HG1 GLU 13 0.223 1.139 -9.512
247 H ALA 14 HN ALA 14 0.029 -0.130 -4.355
248 HA ALA 14 HA ALA 14 0.575 -2.975 -4.270
249 1HB ALA 14 HB3 ALA 14 1.859 -1.093 -3.062
250 2HB ALA 14 HB2 ALA 14 0.551 -1.133 -1.878
251 3HB ALA 14 HB1 ALA 14 1.543 -2.568 -2.146
252 H LEU 15 HN LEU 15 -2.023 -0.902 -3.088
253 HA LEU 15 HA LEU 15 -3.193 -2.854 -1.302
254 1HB LEU 15 HB2 LEU 15 -4.681 -0.657 -2.765
255 2HB LEU 15 HB1 LEU 15 -5.130 -1.424 -1.244
256 HG LEU 15 HG LEU 15 -2.680 0.299 -1.688
257 1HD1 LEU 15 HD13 LEU 15 -5.421 0.805 -0.640
258 2HD1 LEU 15 HD12 LEU 15 -4.070 1.617 0.151
259 3HD1 LEU 15 HD11 LEU 15 -4.362 1.864 -1.572
260 1HD2 LEU 15 HD23 LEU 15 -3.641 -1.396 0.570
261 2HD2 LEU 15 HD22 LEU 15 -1.990 -1.050 0.053
262 3HD2 LEU 15 HD21 LEU 15 -2.901 0.156 0.967
263 H GLU 16 HN GLU 16 -3.663 -2.038 -4.718
264 HA GLU 16 HA GLU 16 -5.871 -3.878 -5.104
265 1HB GLU 16 HB2 GLU 16 -5.003 -1.810 -6.549
266 2HB GLU 16 HB1 GLU 16 -4.113 -3.083 -7.387
267 1HG GLU 16 HG2 GLU 16 -6.014 -4.045 -8.235
268 2HG GLU 16 HG1 GLU 16 -6.978 -3.636 -6.817
269 H LEU 17 HN LEU 17 -2.372 -4.141 -5.294
270 HA LEU 17 HA LEU 17 -2.410 -6.699 -6.689
271 1HB LEU 17 HB2 LEU 17 -0.461 -4.769 -6.030
272 2HB LEU 17 HB1 LEU 17 0.021 -6.231 -5.169
273 HG LEU 17 HG LEU 17 -0.246 -7.506 -7.318
274 1HD1 LEU 17 HD13 LEU 17 -1.776 -5.582 -8.229
275 2HD1 LEU 17 HD12 LEU 17 -0.251 -4.842 -8.715
276 3HD1 LEU 17 HD11 LEU 17 -0.702 -6.426 -9.346
277 1HD2 LEU 17 HD21 LEU 17 1.700 -5.218 -7.052
278 2HD2 LEU 17 HD23 LEU 17 1.987 -6.941 -6.808
279 3HD2 LEU 17 HD22 LEU 17 1.773 -6.305 -8.440
280 H VAL 18 HN VAL 18 -2.493 -5.652 -3.344
281 HA VAL 18 HA VAL 18 -1.854 -8.295 -2.271
282 HB VAL 18 HB VAL 18 -3.118 -5.913 -0.880
283 1HG1 VAL 18 HG12 VAL 18 -1.955 -8.536 0.018
284 2HG1 VAL 18 HG11 VAL 18 -1.833 -7.127 1.071
285 3HG1 VAL 18 HG13 VAL 18 -3.417 -7.720 0.571
286 1HG2 VAL 18 HG23 VAL 18 -0.667 -5.897 -2.067
287 2HG2 VAL 18 HG22 VAL 18 -1.033 -5.001 -0.594
288 3HG2 VAL 18 HG21 VAL 18 -0.248 -6.576 -0.496
289 H CYS 19 HN CYS 19 -4.819 -6.306 -1.898
290 HA CYS 19 HA CYS 19 -6.397 -8.775 -1.571
291 1HB CYS 19 HB2 CYS 19 -6.800 -5.876 -1.071
292 2HB CYS 19 HB1 CYS 19 -8.241 -6.762 -1.560
293 H GLY 20 HN GLY 20 -6.697 -5.868 -3.652
294 1HA GLY 20 HA2 GLY 20 -7.173 -5.781 -5.971
295 2HA GLY 20 HA1 GLY 20 -7.184 -7.544 -6.003
296 H GLU 21 HN GLU 21 -9.092 -5.701 -3.706
297 HA GLU 21 HA GLU 21 -11.542 -6.947 -4.764
298 1HB GLU 21 HB2 GLU 21 -10.739 -6.341 -2.229
299 2HB GLU 21 HB1 GLU 21 -11.737 -4.933 -2.594
300 1HG GLU 21 HG2 GLU 21 -13.373 -6.844 -3.534
301 2HG GLU 21 HG1 GLU 21 -12.524 -7.794 -2.312
302 H ARG 22 HN ARG 22 -13.465 -5.585 -5.215
303 HA ARG 22 HA ARG 22 -12.714 -3.249 -6.824
304 1HB ARG 22 HB2 ARG 22 -15.392 -4.574 -6.298
305 2HB ARG 22 HB1 ARG 22 -15.148 -3.231 -7.416
306 1HG ARG 22 HG2 ARG 22 -13.814 -4.524 -8.871
307 2HG ARG 22 HG1 ARG 22 -13.506 -5.749 -7.642
308 1HD ARG 22 HD2 ARG 22 -16.285 -5.728 -7.885
309 2HD ARG 22 HD1 ARG 22 -15.719 -5.544 -9.544
310 HE ARG 22 HE ARG 22 -15.695 -7.959 -8.031
311 1HH1 ARG 22 HH21 ARG 22 -13.553 -6.147 -10.109
312 2HH1 ARG 22 HH22 ARG 22 -12.487 -7.486 -10.343
313 1HH2 ARG 22 HH11 ARG 22 -14.312 -9.674 -8.386
314 2HH2 ARG 22 HH12 ARG 22 -12.916 -9.468 -9.390
315 H GLY 23 HN GLY 23 -11.996 -1.896 -5.028
316 1HA GLY 23 HA2 GLY 23 -12.492 0.069 -3.779
317 2HA GLY 23 HA1 GLY 23 -14.209 -0.325 -3.891
318 H GLY 24 HN GLY 24 -11.358 -2.066 -2.600
319 1HA GLY 24 HA2 GLY 24 -12.864 -2.359 -0.031
320 2HA GLY 24 HA1 GLY 24 -11.930 -3.686 -0.724
321 H PHE 25 HN PHE 25 -10.754 -0.381 -0.882
322 HA PHE 25 HA PHE 25 -9.146 -0.557 1.530
323 1HB PHE 25 HB2 PHE 25 -6.934 -0.556 0.276
324 2HB PHE 25 HB1 PHE 25 -7.788 -2.095 0.298
325 HD1 PHE 25 HD2 PHE 25 -7.061 0.913 -1.784
326 HD2 PHE 25 HD1 PHE 25 -8.580 -3.107 -1.704
327 HE1 PHE 25 HE2 PHE 25 -7.071 0.865 -4.262
328 HE2 PHE 25 HE1 PHE 25 -8.585 -3.154 -4.182
329 HZ PHE 25 HZ PHE 25 -7.832 -1.167 -5.463
330 H TYR 26 HN TYR 26 -7.202 1.209 1.142
331 HA TYR 26 HA TYR 26 -8.422 3.738 1.075
332 1HB TYR 26 HB2 TYR 26 -6.263 3.535 2.067
333 2HB TYR 26 HB1 TYR 26 -5.569 2.845 0.608
334 HD1 TYR 26 HD2 TYR 26 -7.722 5.883 1.078
335 HD2 TYR 26 HD1 TYR 26 -3.903 4.312 -0.105
336 HE1 TYR 26 HE2 TYR 26 -7.026 8.143 0.336
337 HE2 TYR 26 HE1 TYR 26 -3.207 6.577 -0.853
338 HH TYR 26 HH TYR 26 -4.227 8.673 -1.559
339 H THR 27 HN THR 27 -9.596 4.474 -0.626
340 HA THR 27 HA THR 27 -8.372 4.303 -3.351
341 HB THR 27 HB THR 27 -10.884 4.537 -4.060
342 HG1 THR 27 HG1 THR 27 -12.261 4.342 -2.505
343 1HG2 THR 27 HG21 THR 27 -9.351 2.162 -3.130
344 2HG2 THR 27 HG23 THR 27 -11.066 1.924 -3.465
345 3HG2 THR 27 HG22 THR 27 -9.997 2.529 -4.729
346 HA PRO 28 HA PRO 28 -8.502 8.770 -2.225
347 1HB PRO 28 HB2 PRO 28 -6.776 9.230 -4.493
348 2HB PRO 28 HB1 PRO 28 -6.394 9.390 -2.774
349 1HG PRO 28 HG2 PRO 28 -5.525 7.333 -4.580
350 2HG PRO 28 HG1 PRO 28 -5.168 7.484 -2.854
351 1HD PRO 28 HD2 PRO 28 -6.903 5.585 -4.127
352 2HD PRO 28 HD1 PRO 28 -6.559 5.756 -2.397
353 H LYS 29 HN LYS 29 -10.232 9.898 -2.965
354 HA LYS 29 HA LYS 29 -11.879 10.745 -4.401
355 1HB LYS 29 HB2 LYS 29 -9.678 10.325 -6.447
356 2HB LYS 29 HB1 LYS 29 -11.137 11.281 -6.705
357 1HG LYS 29 HG2 LYS 29 -10.439 12.986 -5.321
358 2HG LYS 29 HG1 LYS 29 -9.504 11.904 -4.287
359 1HD LYS 29 HD2 LYS 29 -8.312 11.816 -6.877
360 2HD LYS 29 HD1 LYS 29 -8.590 13.513 -6.494
361 1HE LYS 29 HE2 LYS 29 -7.297 13.395 -4.509
362 2HE LYS 29 HE1 LYS 29 -7.321 11.631 -4.503
363 1HZ LYS 29 HZ2 LYS 29 -6.146 11.888 -6.764
364 2HZ LYS 29 HZ1 LYS 29 -5.777 13.456 -6.221
365 3HZ LYS 29 HZ3 LYS 29 -5.244 12.107 -5.340
No H/Q in entry = 365
Start of MODEL 4
1 1H GLY 1 HT1 GLY 1 1.987 7.156 9.585
2 2H GLY 1 HT3 GLY 1 0.409 7.707 9.872
3 3H GLY 1 HT2 GLY 1 1.701 8.319 10.790
4 1HA GLY 1 HA2 GLY 1 1.981 6.353 11.977
5 2HA GLY 1 HA1 GLY 1 0.235 6.588 11.896
6 H ILE 2 HN ILE 2 -0.041 5.875 9.108
7 HA ILE 2 HA ILE 2 0.554 2.950 9.290
8 HB ILE 2 HB ILE 2 -1.864 3.570 9.459
9 1HG1 ILE 2 HG12 ILE 2 -2.480 2.106 7.333
10 2HG1 ILE 2 HG11 ILE 2 -0.730 1.880 7.267
11 1HG2 ILE 2 HG23 ILE 2 -1.603 5.552 7.854
12 2HG2 ILE 2 HG22 ILE 2 -1.662 4.367 6.551
13 3HG2 ILE 2 HG21 ILE 2 -3.038 4.550 7.639
14 1HD1 ILE 2 HD13 ILE 2 -0.996 1.380 9.842
15 2HD1 ILE 2 HD12 ILE 2 -2.668 1.038 9.399
16 3HD1 ILE 2 HD11 ILE 2 -1.355 0.121 8.660
17 H VAL 3 HN VAL 3 0.226 5.698 7.029
18 HA VAL 3 HA VAL 3 1.599 4.147 4.910
19 HB VAL 3 HB VAL 3 0.680 7.034 4.841
20 1HG1 VAL 3 HG12 VAL 3 2.373 5.774 3.140
21 2HG1 VAL 3 HG11 VAL 3 0.830 5.318 2.418
22 3HG1 VAL 3 HG13 VAL 3 1.241 7.021 2.617
23 1HG2 VAL 3 HG22 VAL 3 -0.754 4.446 4.246
24 2HG2 VAL 3 HG21 VAL 3 -1.311 5.811 5.215
25 3HG2 VAL 3 HG23 VAL 3 -1.226 5.950 3.457
26 H GLU 4 HN GLU 4 2.125 7.078 6.869
27 HA GLU 4 HA GLU 4 4.649 7.801 5.785
28 1HB GLU 4 HB2 GLU 4 3.638 8.152 8.624
29 2HB GLU 4 HB1 GLU 4 5.000 9.016 7.910
30 1HG GLU 4 HG2 GLU 4 3.280 9.688 6.059
31 2HG GLU 4 HG1 GLU 4 2.072 9.256 7.271
32 H GLN 5 HN GLN 5 3.758 5.283 8.050
33 HA GLN 5 HA GLN 5 6.479 4.822 8.987
34 1HB GLN 5 HB2 GLN 5 4.009 4.091 9.917
35 2HB GLN 5 HB1 GLN 5 4.549 2.589 9.165
36 1HG GLN 5 HG2 GLN 5 6.551 2.546 10.495
37 2HG GLN 5 HG1 GLN 5 6.260 4.181 11.090
38 1HE2 GLN 5 HE22 GLN 5 5.057 1.611 13.605
39 2HE2 GLN 5 HE21 GLN 5 6.536 1.813 12.795
40 H CYS 6 HN CYS 6 4.435 3.614 6.379
41 HA CYS 6 HA CYS 6 6.624 1.745 5.594
42 1HB CYS 6 HB2 CYS 6 3.694 1.818 4.822
43 2HB CYS 6 HB1 CYS 6 4.871 0.689 4.151
44 H CYS 7 HN CYS 7 6.615 4.676 5.111
45 HA CYS 7 HA CYS 7 6.481 4.669 2.119
46 1HB CYS 7 HB2 CYS 7 4.966 6.302 3.222
47 2HB CYS 7 HB1 CYS 7 6.358 7.038 4.012
48 H THR 8 HN THR 8 8.370 5.874 4.901
49 HA THR 8 HA THR 8 10.537 6.956 3.432
50 HB THR 8 HB THR 8 10.564 5.680 6.187
51 HG1 THR 8 HG1 THR 8 10.270 8.376 5.369
52 1HG2 THR 8 HG22 THR 8 12.489 7.577 4.815
53 2HG2 THR 8 HG21 THR 8 12.518 7.214 6.541
54 3HG2 THR 8 HG23 THR 8 12.836 5.938 5.365
55 H SER 9 HN SER 9 11.115 4.012 5.365
56 HA SER 9 HA SER 9 12.961 3.052 3.287
57 1HB SER 9 HB2 SER 9 12.178 1.971 6.008
58 2HB SER 9 HB1 SER 9 13.337 1.179 4.947
59 HG SER 9 HG SER 9 14.758 2.557 5.617
60 H ILE 10 HN ILE 10 12.715 0.354 3.271
61 HA ILE 10 HA ILE 10 10.201 -0.042 1.797
62 HB ILE 10 HB ILE 10 12.389 -2.049 2.402
63 1HG1 ILE 10 HG12 ILE 10 12.986 0.175 1.112
64 2HG1 ILE 10 HG11 ILE 10 13.552 -1.370 0.492
65 1HG2 ILE 10 HG21 ILE 10 10.146 -1.950 0.377
66 2HG2 ILE 10 HG23 ILE 10 11.440 -3.147 0.347
67 3HG2 ILE 10 HG22 ILE 10 10.318 -3.097 1.710
68 1HD1 ILE 10 HD12 ILE 10 10.993 -0.026 -0.438
69 2HD1 ILE 10 HD11 ILE 10 12.543 0.138 -1.267
70 3HD1 ILE 10 HD13 ILE 10 11.766 -1.443 -1.145
71 H CYS 11 HN CYS 11 8.492 -0.215 3.227
72 HA CYS 11 HA CYS 11 8.597 -1.439 5.807
73 1HB CYS 11 HB2 CYS 11 6.734 0.021 4.417
74 2HB CYS 11 HB1 CYS 11 6.011 -1.583 4.372
75 H SER 12 HN SER 12 6.451 -3.282 5.791
76 HA SER 12 HA SER 12 7.634 -5.545 4.229
77 1HB SER 12 HB2 SER 12 6.306 -5.530 6.953
78 2HB SER 12 HB1 SER 12 6.690 -7.001 6.066
79 HG SER 12 HG SER 12 8.891 -6.183 6.003
80 H LEU 13 HN LEU 13 6.077 -7.144 3.442
81 HA LEU 13 HA LEU 13 3.703 -5.952 2.338
82 1HB LEU 13 HB2 LEU 13 5.189 -8.188 1.759
83 2HB LEU 13 HB1 LEU 13 3.752 -8.904 2.490
84 HG LEU 13 HG LEU 13 3.652 -6.830 0.284
85 1HD1 LEU 13 HD12 LEU 13 3.425 -9.852 0.131
86 2HD1 LEU 13 HD11 LEU 13 3.082 -8.742 -1.197
87 3HD1 LEU 13 HD13 LEU 13 4.721 -8.872 -0.555
88 1HD2 LEU 13 HD21 LEU 13 1.607 -8.657 1.576
89 2HD2 LEU 13 HD23 LEU 13 1.619 -6.893 1.583
90 3HD2 LEU 13 HD22 LEU 13 1.307 -7.766 0.084
91 H TYR 14 HN TYR 14 4.328 -7.844 5.227
92 HA TYR 14 HA TYR 14 1.646 -8.614 5.835
93 1HB TYR 14 HB2 TYR 14 3.910 -7.934 7.739
94 2HB TYR 14 HB1 TYR 14 2.448 -8.825 8.162
95 HD1 TYR 14 HD1 TYR 14 2.047 -11.092 7.267
96 HD2 TYR 14 HD2 TYR 14 5.676 -8.950 6.435
97 HE1 TYR 14 HE1 TYR 14 3.113 -13.196 6.500
98 HE2 TYR 14 HE2 TYR 14 6.742 -11.053 5.666
99 HH TYR 14 HH TYR 14 6.264 -13.673 6.245
100 H GLN 15 HN GLN 15 3.341 -5.565 6.172
101 HA GLN 15 HA GLN 15 1.545 -4.348 8.059
102 1HB GLN 15 HB2 GLN 15 3.264 -3.023 5.942
103 2HB GLN 15 HB1 GLN 15 2.563 -2.232 7.355
104 1HG GLN 15 HG2 GLN 15 4.492 -4.569 7.492
105 2HG GLN 15 HG1 GLN 15 4.961 -2.881 7.683
106 1HE2 GLN 15 HE22 GLN 15 3.105 -2.576 10.827
107 2HE2 GLN 15 HE21 GLN 15 3.324 -1.711 9.384
108 H LEU 16 HN LEU 16 1.678 -4.224 4.476
109 HA LEU 16 HA LEU 16 -0.639 -2.540 4.226
110 1HB LEU 16 HB2 LEU 16 1.072 -4.110 2.414
111 2HB LEU 16 HB1 LEU 16 -0.603 -3.996 1.881
112 HG LEU 16 HG LEU 16 1.150 -1.641 2.649
113 1HD1 LEU 16 HD12 LEU 16 0.300 -2.800 -0.013
114 2HD1 LEU 16 HD11 LEU 16 0.866 -1.139 0.156
115 3HD1 LEU 16 HD13 LEU 16 1.938 -2.480 0.558
116 1HD2 LEU 16 HD21 LEU 16 -1.740 -1.972 1.981
117 2HD2 LEU 16 HD23 LEU 16 -0.958 -0.778 3.018
118 3HD2 LEU 16 HD22 LEU 16 -0.919 -0.586 1.265
119 H GLU 17 HN GLU 17 -0.312 -5.873 5.050
120 HA GLU 17 HA GLU 17 -2.708 -6.961 3.982
121 1HB GLU 17 HB2 GLU 17 -0.663 -7.852 5.649
122 2HB GLU 17 HB1 GLU 17 -2.087 -7.915 6.685
123 1HG GLU 17 HG2 GLU 17 -3.223 -9.398 5.237
124 2HG GLU 17 HG1 GLU 17 -2.149 -9.034 3.883
125 H ASN 18 HN ASN 18 -2.259 -4.603 6.487
126 HA ASN 18 HA ASN 18 -4.952 -5.073 7.623
127 1HB ASN 18 HB2 ASN 18 -2.538 -3.497 8.393
128 2HB ASN 18 HB1 ASN 18 -4.107 -2.891 8.927
129 1HD2 ASN 18 HD22 ASN 18 -3.150 -6.696 10.187
130 2HD2 ASN 18 HD21 ASN 18 -2.764 -6.234 8.600
131 H TYR 19 HN TYR 19 -4.578 -4.103 4.819
132 HA TYR 19 HA TYR 19 -5.856 -1.414 5.071
133 1HB TYR 19 HB2 TYR 19 -3.953 -2.599 3.104
134 2HB TYR 19 HB1 TYR 19 -5.155 -1.469 2.489
135 HD1 TYR 19 HD2 TYR 19 -2.961 -1.722 5.540
136 HD2 TYR 19 HD1 TYR 19 -4.433 0.714 2.323
137 HE1 TYR 19 HE2 TYR 19 -1.586 0.184 6.352
138 HE2 TYR 19 HE1 TYR 19 -3.068 2.615 3.133
139 HH TYR 19 HH TYR 19 -0.552 2.332 5.154
140 H CYS 20 HN CYS 20 -6.828 -4.497 4.779
141 HA CYS 20 HA CYS 20 -8.784 -3.950 2.586
142 1HB CYS 20 HB2 CYS 20 -8.050 -6.603 3.871
143 2HB CYS 20 HB1 CYS 20 -9.089 -6.372 2.464
144 H ASN 21 HN ASN 21 -9.025 -2.843 5.266
145 HA ASN 21 HA ASN 21 -10.874 -4.381 6.852
146 1HB ASN 21 HB2 ASN 21 -9.475 -2.003 7.172
147 2HB ASN 21 HB1 ASN 21 -11.148 -1.458 7.060
148 1HD2 ASN 21 HD22 ASN 21 -9.900 -3.106 10.479
149 2HD2 ASN 21 HD21 ASN 21 -8.853 -2.565 9.259
150 1H PHE 1 HT1 PHE 1 7.548 -9.281 -3.389
151 2H PHE 1 HT3 PHE 1 7.290 -8.543 -1.884
152 3H PHE 1 HT2 PHE 1 6.040 -9.427 -2.621
153 HA PHE 1 HA PHE 1 5.628 -7.825 -4.206
154 1HB PHE 1 HB2 PHE 1 5.213 -7.155 -1.720
155 2HB PHE 1 HB1 PHE 1 6.593 -6.091 -1.927
156 HD1 PHE 1 HD1 PHE 1 4.968 -6.287 -5.091
157 HD2 PHE 1 HD2 PHE 1 4.545 -4.513 -1.193
158 HE1 PHE 1 HE1 PHE 1 3.505 -4.552 -6.042
159 HE2 PHE 1 HE2 PHE 1 3.072 -2.781 -2.159
160 HZ PHE 1 HZ PHE 1 2.546 -2.800 -4.579
161 H VAL 2 HN VAL 2 6.581 -6.745 -5.897
162 HA VAL 2 HA VAL 2 9.293 -6.639 -6.427
163 HB VAL 2 HB VAL 2 7.537 -6.185 -8.090
164 1HG1 VAL 2 HG12 VAL 2 7.259 -3.541 -6.627
165 2HG1 VAL 2 HG11 VAL 2 6.490 -3.930 -8.164
166 3HG1 VAL 2 HG13 VAL 2 6.043 -4.820 -6.707
167 1HG2 VAL 2 HG23 VAL 2 9.991 -5.252 -8.217
168 2HG2 VAL 2 HG22 VAL 2 8.795 -4.713 -9.397
169 3HG2 VAL 2 HG21 VAL 2 9.205 -3.685 -8.023
170 H ASN 3 HN ASN 3 7.409 -4.339 -4.554
171 HA ASN 3 HA ASN 3 9.831 -3.254 -3.338
172 1HB ASN 3 HB2 ASN 3 8.181 -1.624 -5.266
173 2HB ASN 3 HB1 ASN 3 9.040 -0.850 -3.933
174 1HD2 ASN 3 HD22 ASN 3 12.287 -2.026 -5.268
175 2HD2 ASN 3 HD21 ASN 3 11.450 -2.114 -3.793
176 H GLN 4 HN GLN 4 9.332 -2.609 -1.272
177 HA GLN 4 HA GLN 4 6.458 -2.659 -0.551
178 1HB GLN 4 HB2 GLN 4 8.736 -3.769 0.660
179 2HB GLN 4 HB1 GLN 4 8.257 -2.444 1.720
180 1HG GLN 4 HG2 GLN 4 6.783 -3.956 2.579
181 2HG GLN 4 HG1 GLN 4 5.825 -3.581 1.148
182 1HE2 GLN 4 HE22 GLN 4 8.044 -7.054 1.129
183 2HE2 GLN 4 HE21 GLN 4 8.586 -5.736 2.051
184 H HIS 5 HN HIS 5 7.262 -0.352 -1.868
185 HA HIS 5 HA HIS 5 7.448 1.682 0.314
186 1HB HIS 5 HB2 HIS 5 8.328 1.610 -2.536
187 2HB HIS 5 HB1 HIS 5 7.767 3.161 -1.907
188 HD1 HIS 5 HD1 HIS 5 10.834 2.057 -2.527
189 HD2 HIS 5 HD2 HIS 5 9.054 2.801 1.166
190 HE1 HIS 5 HE1 HIS 5 12.719 2.357 -0.866
191 H LEU 6 HN LEU 6 5.648 2.878 0.730
192 HA LEU 6 HA LEU 6 3.442 2.816 -1.291
193 1HB LEU 6 HB2 LEU 6 2.789 3.033 1.624
194 2HB LEU 6 HB1 LEU 6 1.843 2.335 0.318
195 HG LEU 6 HG LEU 6 4.377 1.069 1.398
196 1HD1 LEU 6 HD11 LEU 6 1.475 0.571 2.109
197 2HD1 LEU 6 HD13 LEU 6 2.796 -0.522 2.526
198 3HD1 LEU 6 HD12 LEU 6 2.759 1.111 3.195
199 1HD2 LEU 6 HD22 LEU 6 2.189 0.216 -0.508
200 2HD2 LEU 6 HD21 LEU 6 3.928 0.239 -0.786
201 3HD2 LEU 6 HD23 LEU 6 3.226 -0.966 0.293
202 H CYS 7 HN CYS 7 2.965 4.851 -1.970
203 HA CYS 7 HA CYS 7 2.377 7.029 -0.252
204 1HB CYS 7 HB2 CYS 7 5.223 6.689 -0.860
205 2HB CYS 7 HB1 CYS 7 4.623 8.262 -1.382
206 H GLY 8 HN GLY 8 1.439 8.710 -1.435
207 1HA GLY 8 HA2 GLY 8 0.537 9.801 -3.310
208 2HA GLY 8 HA1 GLY 8 1.949 9.240 -4.209
209 H SER 9 HN SER 9 1.583 7.736 -5.761
210 HA SER 9 HA SER 9 -1.089 6.435 -5.835
211 1HB SER 9 HB2 SER 9 0.844 6.069 -8.065
212 2HB SER 9 HB1 SER 9 -0.894 6.356 -8.116
213 HG SER 9 HG SER 9 0.822 8.106 -8.666
214 H HIS 10 HN HIS 10 2.281 5.719 -5.290
215 HA HIS 10 HA HIS 10 2.361 2.963 -5.961
216 1HB HIS 10 HB2 HIS 10 3.833 4.720 -4.058
217 2HB HIS 10 HB1 HIS 10 3.980 2.976 -3.845
218 HD1 HIS 10 HD1 HIS 10 5.504 1.750 -5.426
219 HD2 HIS 10 HD2 HIS 10 4.628 5.601 -6.764
220 HE1 HIS 10 HE1 HIS 10 6.945 2.143 -7.471
221 H LEU 11 HN LEU 11 1.063 4.617 -3.127
222 HA LEU 11 HA LEU 11 0.662 2.303 -1.492
223 1HB LEU 11 HB2 LEU 11 0.518 4.577 -0.572
224 2HB LEU 11 HB1 LEU 11 -0.871 4.924 -1.597
225 HG LEU 11 HG LEU 11 -2.169 3.166 -0.439
226 1HD1 LEU 11 HD13 LEU 11 -0.223 1.726 0.170
227 2HD1 LEU 11 HD12 LEU 11 0.254 2.926 1.371
228 3HD1 LEU 11 HD11 LEU 11 -1.273 2.061 1.545
229 1HD2 LEU 11 HD22 LEU 11 -1.853 5.624 0.415
230 2HD2 LEU 11 HD21 LEU 11 -2.640 4.446 1.465
231 3HD2 LEU 11 HD23 LEU 11 -0.948 4.863 1.723
232 H VAL 12 HN VAL 12 -1.624 4.059 -3.621
233 HA VAL 12 HA VAL 12 -3.836 2.341 -3.369
234 HB VAL 12 HB VAL 12 -2.975 3.698 -5.939
235 1HG1 VAL 12 HG13 VAL 12 -5.628 2.784 -4.792
236 2HG1 VAL 12 HG12 VAL 12 -5.505 3.889 -6.162
237 3HG1 VAL 12 HG11 VAL 12 -4.860 2.252 -6.289
238 1HG2 VAL 12 HG21 VAL 12 -3.968 4.769 -3.342
239 2HG2 VAL 12 HG23 VAL 12 -2.975 5.549 -4.576
240 3HG2 VAL 12 HG22 VAL 12 -4.719 5.425 -4.796
241 H GLU 13 HN GLU 13 -1.335 2.164 -5.937
242 HA GLU 13 HA GLU 13 -2.258 -0.243 -7.123
243 1HB GLU 13 HB2 GLU 13 -0.539 1.345 -8.083
244 2HB GLU 13 HB1 GLU 13 0.632 0.657 -6.959
245 1HG GLU 13 HG2 GLU 13 0.424 -1.523 -7.948
246 2HG GLU 13 HG1 GLU 13 -0.966 -1.022 -8.907
247 H ALA 14 HN ALA 14 -0.396 0.308 -4.215
248 HA ALA 14 HA ALA 14 0.647 -2.381 -3.975
249 1HB ALA 14 HB2 ALA 14 1.417 -0.202 -2.770
250 2HB ALA 14 HB1 ALA 14 0.118 -0.559 -1.633
251 3HB ALA 14 HB3 ALA 14 1.432 -1.713 -1.861
252 H LEU 15 HN LEU 15 -2.310 -0.746 -2.912
253 HA LEU 15 HA LEU 15 -3.231 -2.917 -1.233
254 1HB LEU 15 HB2 LEU 15 -4.997 -0.882 -2.619
255 2HB LEU 15 HB1 LEU 15 -5.321 -1.751 -1.121
256 HG LEU 15 HG LEU 15 -3.170 0.342 -1.531
257 1HD1 LEU 15 HD12 LEU 15 -5.687 0.973 -1.277
258 2HD1 LEU 15 HD11 LEU 15 -5.445 0.502 0.407
259 3HD1 LEU 15 HD13 LEU 15 -4.485 1.805 -0.291
260 1HD2 LEU 15 HD22 LEU 15 -3.942 -1.303 0.886
261 2HD2 LEU 15 HD21 LEU 15 -2.387 -1.321 0.050
262 3HD2 LEU 15 HD23 LEU 15 -2.892 0.115 0.946
263 H GLU 16 HN GLU 16 -3.581 -2.069 -4.640
264 HA GLU 16 HA GLU 16 -5.545 -4.124 -5.227
265 1HB GLU 16 HB2 GLU 16 -5.121 -2.060 -6.637
266 2HB GLU 16 HB1 GLU 16 -3.616 -2.816 -7.165
267 1HG GLU 16 HG2 GLU 16 -5.003 -3.583 -8.837
268 2HG GLU 16 HG1 GLU 16 -5.268 -4.866 -7.655
269 H LEU 17 HN LEU 17 -2.046 -3.991 -5.054
270 HA LEU 17 HA LEU 17 -1.623 -6.507 -6.460
271 1HB LEU 17 HB2 LEU 17 -0.008 -4.375 -5.529
272 2HB LEU 17 HB1 LEU 17 0.563 -5.827 -4.710
273 HG LEU 17 HG LEU 17 1.713 -5.507 -6.864
274 1HD1 LEU 17 HD12 LEU 17 -0.198 -7.850 -6.824
275 2HD1 LEU 17 HD11 LEU 17 1.248 -7.746 -7.827
276 3HD1 LEU 17 HD13 LEU 17 1.394 -7.791 -6.070
277 1HD2 LEU 17 HD23 LEU 17 -0.585 -4.496 -7.814
278 2HD2 LEU 17 HD22 LEU 17 0.646 -5.181 -8.875
279 3HD2 LEU 17 HD21 LEU 17 -0.750 -6.150 -8.404
280 H VAL 18 HN VAL 18 -2.153 -5.512 -3.133
281 HA VAL 18 HA VAL 18 -1.430 -8.156 -2.066
282 HB VAL 18 HB VAL 18 -2.729 -5.774 -0.700
283 1HG1 VAL 18 HG11 VAL 18 -1.398 -8.263 0.416
284 2HG1 VAL 18 HG13 VAL 18 -1.967 -6.898 1.376
285 3HG1 VAL 18 HG12 VAL 18 -3.121 -7.891 0.487
286 1HG2 VAL 18 HG22 VAL 18 -0.009 -6.261 -1.587
287 2HG2 VAL 18 HG21 VAL 18 -0.676 -4.834 -0.795
288 3HG2 VAL 18 HG23 VAL 18 -0.060 -6.171 0.173
289 H CYS 19 HN CYS 19 -4.435 -6.253 -1.599
290 HA CYS 19 HA CYS 19 -5.984 -8.739 -1.425
291 1HB CYS 19 HB2 CYS 19 -6.446 -5.859 -0.896
292 2HB CYS 19 HB1 CYS 19 -7.857 -6.749 -1.463
293 H GLY 20 HN GLY 20 -6.169 -5.832 -3.517
294 1HA GLY 20 HA2 GLY 20 -6.606 -5.720 -5.836
295 2HA GLY 20 HA1 GLY 20 -6.621 -7.484 -5.882
296 H GLU 21 HN GLU 21 -8.606 -5.713 -3.599
297 HA GLU 21 HA GLU 21 -11.020 -6.930 -4.750
298 1HB GLU 21 HB2 GLU 21 -10.565 -5.124 -2.357
299 2HB GLU 21 HB1 GLU 21 -12.146 -5.757 -2.819
300 1HG GLU 21 HG2 GLU 21 -11.469 -8.010 -2.441
301 2HG GLU 21 HG1 GLU 21 -9.765 -7.561 -2.351
302 H ARG 22 HN ARG 22 -12.806 -5.710 -5.580
303 HA ARG 22 HA ARG 22 -12.024 -3.247 -6.959
304 1HB ARG 22 HB2 ARG 22 -14.455 -5.012 -6.933
305 2HB ARG 22 HB1 ARG 22 -14.580 -3.380 -7.592
306 1HG ARG 22 HG2 ARG 22 -12.315 -5.153 -8.459
307 2HG ARG 22 HG1 ARG 22 -13.912 -5.368 -9.172
308 1HD ARG 22 HD2 ARG 22 -12.940 -2.573 -9.009
309 2HD ARG 22 HD1 ARG 22 -12.068 -3.609 -10.132
310 HE ARG 22 HE ARG 22 -14.647 -2.450 -10.557
311 1HH1 ARG 22 HH21 ARG 22 -13.019 -5.501 -10.994
312 2HH1 ARG 22 HH22 ARG 22 -14.235 -6.111 -12.061
313 1HH2 ARG 22 HH11 ARG 22 -16.186 -3.258 -11.950
314 2HH2 ARG 22 HH12 ARG 22 -16.008 -4.852 -12.605
315 H GLY 23 HN GLY 23 -11.684 -1.775 -5.222
316 1HA GLY 23 HA2 GLY 23 -12.495 0.088 -3.992
317 2HA GLY 23 HA1 GLY 23 -14.138 -0.500 -4.238
318 H GLY 24 HN GLY 24 -11.536 -2.501 -2.967
319 1HA GLY 24 HA2 GLY 24 -13.078 -2.752 -0.430
320 2HA GLY 24 HA1 GLY 24 -11.942 -3.949 -1.043
321 H PHE 25 HN PHE 25 -10.518 -0.935 -1.488
322 HA PHE 25 HA PHE 25 -9.419 -0.808 1.262
323 1HB PHE 25 HB2 PHE 25 -7.068 -0.625 0.197
324 2HB PHE 25 HB1 PHE 25 -7.774 -2.231 0.352
325 HD1 PHE 25 HD2 PHE 25 -7.468 0.623 -2.059
326 HD2 PHE 25 HD1 PHE 25 -7.969 -3.608 -1.528
327 HE1 PHE 25 HE2 PHE 25 -7.256 0.291 -4.505
328 HE2 PHE 25 HE1 PHE 25 -7.762 -3.940 -3.978
329 HZ PHE 25 HZ PHE 25 -7.405 -1.989 -5.466
330 H TYR 26 HN TYR 26 -7.615 1.092 1.171
331 HA TYR 26 HA TYR 26 -9.043 3.498 0.744
332 1HB TYR 26 HB2 TYR 26 -7.281 3.618 2.297
333 2HB TYR 26 HB1 TYR 26 -6.140 2.839 1.213
334 HD1 TYR 26 HD2 TYR 26 -8.370 5.886 1.029
335 HD2 TYR 26 HD1 TYR 26 -4.436 4.228 0.526
336 HE1 TYR 26 HE2 TYR 26 -7.527 8.108 0.324
337 HE2 TYR 26 HE1 TYR 26 -3.596 6.452 -0.190
338 HH TYR 26 HH TYR 26 -4.261 8.867 0.160
339 H THR 27 HN THR 27 -9.753 4.135 -1.189
340 HA THR 27 HA THR 27 -7.798 4.565 -3.367
341 HB THR 27 HB THR 27 -10.025 3.783 -4.801
342 HG1 THR 27 HG1 THR 27 -11.121 2.505 -3.575
343 1HG2 THR 27 HG23 THR 27 -7.497 2.349 -3.998
344 2HG2 THR 27 HG22 THR 27 -8.641 1.627 -5.128
345 3HG2 THR 27 HG21 THR 27 -7.862 3.158 -5.522
346 HA PRO 28 HA PRO 28 -10.235 8.299 -2.237
347 1HB PRO 28 HB2 PRO 28 -8.376 9.734 -3.960
348 2HB PRO 28 HB1 PRO 28 -8.609 9.875 -2.212
349 1HG PRO 28 HG2 PRO 28 -6.426 8.635 -3.555
350 2HG PRO 28 HG1 PRO 28 -6.743 8.641 -1.813
351 1HD PRO 28 HD2 PRO 28 -6.964 6.431 -3.647
352 2HD PRO 28 HD1 PRO 28 -7.248 6.434 -1.901
353 H LYS 29 HN LYS 29 -11.998 7.471 -3.585
354 HA LYS 29 HA LYS 29 -12.313 9.027 -6.043
355 1HB LYS 29 HB2 LYS 29 -12.264 5.994 -6.054
356 2HB LYS 29 HB1 LYS 29 -12.995 6.945 -7.344
357 1HG LYS 29 HG2 LYS 29 -10.086 7.104 -6.481
358 2HG LYS 29 HG1 LYS 29 -10.682 6.280 -7.914
359 1HD LYS 29 HD2 LYS 29 -11.516 8.374 -8.840
360 2HD LYS 29 HD1 LYS 29 -11.059 9.240 -7.380
361 1HE LYS 29 HE2 LYS 29 -8.680 8.605 -7.793
362 2HE LYS 29 HE1 LYS 29 -9.180 7.890 -9.328
363 1HZ LYS 29 HZ1 LYS 29 -9.944 10.660 -8.696
364 2HZ LYS 29 HZ3 LYS 29 -8.374 10.339 -9.250
365 3HZ LYS 29 HZ2 LYS 29 -9.714 9.927 -10.211
No H/Q in entry = 365
Start of MODEL 5
1 1H GLY 1 HT2 GLY 1 -0.421 8.654 9.303
2 2H GLY 1 HT1 GLY 1 0.262 9.368 10.685
3 3H GLY 1 HT3 GLY 1 1.208 8.371 9.691
4 1HA GLY 1 HA2 GLY 1 0.695 7.016 11.495
5 2HA GLY 1 HA1 GLY 1 -0.968 7.600 11.534
6 H ILE 2 HN ILE 2 0.564 6.862 8.474
7 HA ILE 2 HA ILE 2 -0.323 4.123 8.316
8 HB ILE 2 HB ILE 2 -2.548 5.042 8.229
9 1HG1 ILE 2 HG12 ILE 2 -1.681 4.483 5.373
10 2HG1 ILE 2 HG11 ILE 2 -2.027 3.246 6.576
11 1HG2 ILE 2 HG21 ILE 2 -1.477 7.346 7.345
12 2HG2 ILE 2 HG23 ILE 2 -2.061 6.701 5.811
13 3HG2 ILE 2 HG22 ILE 2 -3.184 6.956 7.146
14 1HD1 ILE 2 HD12 ILE 2 -4.226 5.087 6.528
15 2HD1 ILE 2 HD11 ILE 2 -3.875 4.586 4.873
16 3HD1 ILE 2 HD13 ILE 2 -4.222 3.375 6.106
17 H VAL 3 HN VAL 3 0.105 6.999 6.177
18 HA VAL 3 HA VAL 3 1.658 5.308 4.311
19 HB VAL 3 HB VAL 3 0.893 8.232 4.064
20 1HG1 VAL 3 HG13 VAL 3 2.785 6.910 2.663
21 2HG1 VAL 3 HG12 VAL 3 1.362 6.450 1.728
22 3HG1 VAL 3 HG11 VAL 3 1.765 8.154 1.942
23 1HG2 VAL 3 HG21 VAL 3 -0.592 5.696 3.571
24 2HG2 VAL 3 HG23 VAL 3 -1.207 7.301 3.970
25 3HG2 VAL 3 HG22 VAL 3 -0.713 6.932 2.318
26 H GLU 4 HN GLU 4 2.087 7.935 6.603
27 HA GLU 4 HA GLU 4 4.795 8.575 5.782
28 1HB GLU 4 HB2 GLU 4 3.022 9.283 8.090
29 2HB GLU 4 HB1 GLU 4 4.752 9.607 8.213
30 1HG GLU 4 HG2 GLU 4 4.580 10.775 5.963
31 2HG GLU 4 HG1 GLU 4 2.827 10.647 6.122
32 H GLN 5 HN GLN 5 3.601 5.826 7.312
33 HA GLN 5 HA GLN 5 5.894 5.493 9.133
34 1HB GLN 5 HB2 GLN 5 3.503 4.729 9.646
35 2HB GLN 5 HB1 GLN 5 3.786 3.431 8.484
36 1HG GLN 5 HG2 GLN 5 4.548 2.340 10.352
37 2HG GLN 5 HG1 GLN 5 6.037 3.197 9.953
38 1HE2 GLN 5 HE22 GLN 5 4.911 3.847 13.554
39 2HE2 GLN 5 HE21 GLN 5 5.009 2.401 12.671
40 H CYS 6 HN CYS 6 5.068 4.680 5.862
41 HA CYS 6 HA CYS 6 7.506 2.965 5.754
42 1HB CYS 6 HB2 CYS 6 4.878 2.372 4.365
43 2HB CYS 6 HB1 CYS 6 6.351 1.410 4.249
44 H CYS 7 HN CYS 7 6.627 5.832 4.865
45 HA CYS 7 HA CYS 7 6.892 5.667 1.944
46 1HB CYS 7 HB2 CYS 7 5.497 7.421 3.069
47 2HB CYS 7 HB1 CYS 7 6.974 8.113 3.735
48 H THR 8 HN THR 8 8.938 6.385 4.727
49 HA THR 8 HA THR 8 11.160 7.418 3.173
50 HB THR 8 HB THR 8 11.400 6.141 5.897
51 HG1 THR 8 HG1 THR 8 9.802 7.488 6.324
52 1HG2 THR 8 HG21 THR 8 12.892 8.136 4.249
53 2HG2 THR 8 HG23 THR 8 12.900 8.337 6.002
54 3HG2 THR 8 HG22 THR 8 13.509 6.846 5.282
55 H SER 9 HN SER 9 10.597 4.287 4.821
56 HA SER 9 HA SER 9 12.696 3.102 3.051
57 1HB SER 9 HB2 SER 9 12.993 1.399 4.742
58 2HB SER 9 HB1 SER 9 13.025 2.963 5.550
59 HG SER 9 HG SER 9 11.336 0.899 5.890
60 H ILE 10 HN ILE 10 12.044 0.451 3.185
61 HA ILE 10 HA ILE 10 9.370 0.384 1.851
62 HB ILE 10 HB ILE 10 11.687 -1.550 1.538
63 1HG1 ILE 10 HG12 ILE 10 10.742 0.682 -0.289
64 2HG1 ILE 10 HG11 ILE 10 12.197 0.745 0.703
65 1HG2 ILE 10 HG23 ILE 10 9.039 -1.974 0.998
66 2HG2 ILE 10 HG22 ILE 10 9.586 -1.285 -0.531
67 3HG2 ILE 10 HG21 ILE 10 10.359 -2.735 0.109
68 1HD1 ILE 10 HD13 ILE 10 12.321 -1.689 -0.753
69 2HD1 ILE 10 HD12 ILE 10 11.842 -0.437 -1.899
70 3HD1 ILE 10 HD11 ILE 10 13.327 -0.255 -0.967
71 H CYS 11 HN CYS 11 7.994 -0.155 3.531
72 HA CYS 11 HA CYS 11 8.594 -1.937 5.684
73 1HB CYS 11 HB2 CYS 11 6.081 -0.848 4.464
74 2HB CYS 11 HB1 CYS 11 5.955 -2.173 5.620
75 H SER 12 HN SER 12 6.836 -3.947 5.838
76 HA SER 12 HA SER 12 7.518 -5.657 3.487
77 1HB SER 12 HB2 SER 12 7.478 -6.112 6.384
78 2HB SER 12 HB1 SER 12 6.639 -7.369 5.480
79 HG SER 12 HG SER 12 8.568 -8.076 5.059
80 H LEU 13 HN LEU 13 5.786 -7.521 3.288
81 HA LEU 13 HA LEU 13 3.306 -6.283 2.535
82 1HB LEU 13 HB2 LEU 13 4.580 -8.612 1.883
83 2HB LEU 13 HB1 LEU 13 3.292 -9.213 2.927
84 HG LEU 13 HG LEU 13 2.817 -7.308 0.621
85 1HD1 LEU 13 HD13 LEU 13 3.743 -9.633 0.015
86 2HD1 LEU 13 HD12 LEU 13 2.223 -10.271 0.644
87 3HD1 LEU 13 HD11 LEU 13 2.214 -9.166 -0.732
88 1HD2 LEU 13 HD22 LEU 13 1.077 -8.885 2.518
89 2HD2 LEU 13 HD21 LEU 13 1.007 -7.165 2.136
90 3HD2 LEU 13 HD23 LEU 13 0.466 -8.354 0.952
91 H TYR 14 HN TYR 14 4.391 -7.394 5.600
92 HA TYR 14 HA TYR 14 1.882 -8.349 6.623
93 1HB TYR 14 HB2 TYR 14 2.907 -8.336 8.778
94 2HB TYR 14 HB1 TYR 14 4.182 -8.753 7.641
95 HD1 TYR 14 HD1 TYR 14 2.733 -5.953 9.625
96 HD2 TYR 14 HD2 TYR 14 6.131 -7.390 7.427
97 HE1 TYR 14 HE1 TYR 14 4.079 -4.051 10.468
98 HE2 TYR 14 HE2 TYR 14 7.478 -5.485 8.272
99 HH TYR 14 HH TYR 14 6.435 -3.483 10.827
100 H GLN 15 HN GLN 15 3.101 -5.141 6.051
101 HA GLN 15 HA GLN 15 1.254 -3.850 7.921
102 1HB GLN 15 HB2 GLN 15 3.477 -2.872 7.215
103 2HB GLN 15 HB1 GLN 15 2.770 -2.580 5.628
104 1HG GLN 15 HG2 GLN 15 1.732 -0.718 6.362
105 2HG GLN 15 HG1 GLN 15 0.984 -1.603 7.692
106 1HE2 GLN 15 HE22 GLN 15 4.070 -0.974 9.735
107 2HE2 GLN 15 HE21 GLN 15 3.315 -2.372 9.141
108 H LEU 16 HN LEU 16 1.526 -3.801 4.345
109 HA LEU 16 HA LEU 16 -1.038 -2.609 3.936
110 1HB LEU 16 HB2 LEU 16 0.849 -4.157 2.180
111 2HB LEU 16 HB1 LEU 16 -0.735 -3.665 1.581
112 HG LEU 16 HG LEU 16 1.231 -1.747 2.852
113 1HD1 LEU 16 HD13 LEU 16 0.918 -2.700 0.030
114 2HD1 LEU 16 HD12 LEU 16 1.336 -1.010 0.310
115 3HD1 LEU 16 HD11 LEU 16 2.386 -2.292 0.917
116 1HD2 LEU 16 HD21 LEU 16 -1.526 -1.548 2.182
117 2HD2 LEU 16 HD23 LEU 16 -0.447 -0.247 2.682
118 3HD2 LEU 16 HD22 LEU 16 -0.653 -0.611 0.971
119 H GLU 17 HN GLU 17 -0.235 -5.828 4.857
120 HA GLU 17 HA GLU 17 -2.372 -7.249 3.584
121 1HB GLU 17 HB2 GLU 17 -0.281 -7.907 5.303
122 2HB GLU 17 HB1 GLU 17 -1.717 -8.216 6.276
123 1HG GLU 17 HG2 GLU 17 -1.818 -9.175 3.466
124 2HG GLU 17 HG1 GLU 17 -0.699 -10.022 4.534
125 H ASN 18 HN ASN 18 -2.230 -5.219 6.447
126 HA ASN 18 HA ASN 18 -5.032 -5.922 7.145
127 1HB ASN 18 HB2 ASN 18 -2.862 -4.361 8.554
128 2HB ASN 18 HB1 ASN 18 -4.537 -4.340 9.109
129 1HD2 ASN 18 HD22 ASN 18 -4.258 -7.464 10.700
130 2HD2 ASN 18 HD21 ASN 18 -5.118 -6.012 10.509
131 H TYR 19 HN TYR 19 -4.304 -4.354 4.720
132 HA TYR 19 HA TYR 19 -5.574 -1.736 5.407
133 1HB TYR 19 HB2 TYR 19 -3.633 -2.590 3.281
134 2HB TYR 19 HB1 TYR 19 -4.686 -1.207 2.989
135 HD1 TYR 19 HD2 TYR 19 -2.857 -2.475 6.021
136 HD2 TYR 19 HD1 TYR 19 -3.538 0.792 3.315
137 HE1 TYR 19 HE2 TYR 19 -1.349 -1.045 7.370
138 HE2 TYR 19 HE1 TYR 19 -2.023 2.226 4.665
139 HH TYR 19 HH TYR 19 0.022 0.941 7.097
140 H CYS 20 HN CYS 20 -6.593 -4.663 4.438
141 HA CYS 20 HA CYS 20 -8.265 -3.717 2.174
142 1HB CYS 20 HB2 CYS 20 -8.045 -6.494 3.376
143 2HB CYS 20 HB1 CYS 20 -8.843 -6.066 1.864
144 H ASN 21 HN ASN 21 -8.677 -2.829 4.996
145 HA ASN 21 HA ASN 21 -10.965 -4.200 6.087
146 1HB ASN 21 HB2 ASN 21 -9.273 -2.068 6.861
147 2HB ASN 21 HB1 ASN 21 -10.898 -1.386 6.802
148 1HD2 ASN 21 HD22 ASN 21 -10.122 -3.205 10.108
149 2HD2 ASN 21 HD21 ASN 21 -9.150 -2.161 9.187
150 1H PHE 1 HT3 PHE 1 6.499 -2.406 -0.371
151 2H PHE 1 HT2 PHE 1 5.689 -3.299 -1.563
152 3H PHE 1 HT1 PHE 1 4.837 -2.184 -0.604
153 HA PHE 1 HA PHE 1 5.256 -3.496 1.364
154 1HB PHE 1 HB2 PHE 1 4.072 -5.702 0.447
155 2HB PHE 1 HB1 PHE 1 3.201 -4.186 0.601
156 HD1 PHE 1 HD1 PHE 1 3.181 -2.638 -1.515
157 HD2 PHE 1 HD2 PHE 1 4.099 -6.832 -1.611
158 HE1 PHE 1 HE1 PHE 1 2.640 -2.701 -3.929
159 HE2 PHE 1 HE2 PHE 1 3.553 -6.894 -4.024
160 HZ PHE 1 HZ PHE 1 2.821 -4.828 -5.182
161 H VAL 2 HN VAL 2 6.073 -5.621 -1.409
162 HA VAL 2 HA VAL 2 8.074 -6.977 0.294
163 HB VAL 2 HB VAL 2 8.342 -8.475 -1.722
164 1HG1 VAL 2 HG12 VAL 2 5.611 -8.044 -0.496
165 2HG1 VAL 2 HG11 VAL 2 5.976 -9.419 -1.538
166 3HG1 VAL 2 HG13 VAL 2 6.842 -9.211 -0.015
167 1HG2 VAL 2 HG21 VAL 2 7.553 -6.655 -3.346
168 2HG2 VAL 2 HG23 VAL 2 6.873 -8.260 -3.600
169 3HG2 VAL 2 HG22 VAL 2 5.916 -7.015 -2.801
170 H ASN 3 HN ASN 3 7.789 -4.872 -2.479
171 HA ASN 3 HA ASN 3 10.527 -3.919 -2.134
172 1HB ASN 3 HB2 ASN 3 11.109 -4.311 -4.543
173 2HB ASN 3 HB1 ASN 3 10.959 -5.810 -3.626
174 1HD2 ASN 3 HD22 ASN 3 8.449 -7.051 -5.744
175 2HD2 ASN 3 HD21 ASN 3 9.677 -7.368 -4.617
176 H GLN 4 HN GLN 4 7.820 -2.908 -1.871
177 HA GLN 4 HA GLN 4 7.806 -0.845 -4.033
178 1HB GLN 4 HB2 GLN 4 5.812 -2.718 -3.453
179 2HB GLN 4 HB1 GLN 4 5.245 -1.251 -2.662
180 1HG GLN 4 HG2 GLN 4 6.226 -0.416 -5.180
181 2HG GLN 4 HG1 GLN 4 5.321 -1.894 -5.495
182 1HE2 GLN 4 HE22 GLN 4 2.899 0.941 -5.594
183 2HE2 GLN 4 HE21 GLN 4 4.273 0.492 -6.486
184 H HIS 5 HN HIS 5 7.088 1.280 -3.353
185 HA HIS 5 HA HIS 5 7.583 1.792 -0.452
186 1HB HIS 5 HB2 HIS 5 8.083 3.341 -2.965
187 2HB HIS 5 HB1 HIS 5 7.717 4.250 -1.499
188 HD1 HIS 5 HD1 HIS 5 10.468 2.627 -3.229
189 HD2 HIS 5 HD2 HIS 5 9.535 3.432 0.750
190 HE1 HIS 5 HE1 HIS 5 12.625 2.386 -1.922
191 H LEU 6 HN LEU 6 6.136 3.378 0.602
192 HA LEU 6 HA LEU 6 3.423 3.360 -0.653
193 1HB LEU 6 HB2 LEU 6 4.151 3.691 2.275
194 2HB LEU 6 HB1 LEU 6 2.520 3.613 1.621
195 HG LEU 6 HG LEU 6 2.963 1.432 2.457
196 1HD1 LEU 6 HD12 LEU 6 3.562 1.380 -0.518
197 2HD1 LEU 6 HD11 LEU 6 3.059 -0.012 0.443
198 3HD1 LEU 6 HD13 LEU 6 1.962 1.350 0.220
199 1HD2 LEU 6 HD23 LEU 6 5.540 2.004 2.402
200 2HD2 LEU 6 HD22 LEU 6 4.998 0.325 2.377
201 3HD2 LEU 6 HD21 LEU 6 5.489 1.115 0.878
202 H CYS 7 HN CYS 7 3.321 5.272 -1.773
203 HA CYS 7 HA CYS 7 2.839 7.703 -0.405
204 1HB CYS 7 HB2 CYS 7 5.661 7.154 -0.922
205 2HB CYS 7 HB1 CYS 7 5.139 8.632 -1.726
206 H GLY 8 HN GLY 8 1.445 8.650 -1.778
207 1HA GLY 8 HA2 GLY 8 0.679 9.630 -3.801
208 2HA GLY 8 HA1 GLY 8 2.129 9.023 -4.607
209 H SER 9 HN SER 9 0.945 8.119 -6.363
210 HA SER 9 HA SER 9 -1.290 6.341 -6.035
211 1HB SER 9 HB2 SER 9 0.590 6.056 -8.349
212 2HB SER 9 HB1 SER 9 -1.170 6.017 -8.326
213 HG SER 9 HG SER 9 -1.231 8.167 -8.309
214 H HIS 10 HN HIS 10 2.085 5.890 -5.468
215 HA HIS 10 HA HIS 10 2.386 3.125 -6.083
216 1HB HIS 10 HB2 HIS 10 3.666 4.868 -3.959
217 2HB HIS 10 HB1 HIS 10 4.170 3.208 -4.283
218 HD1 HIS 10 HD1 HIS 10 4.528 6.664 -5.510
219 HD2 HIS 10 HD2 HIS 10 5.200 2.832 -7.008
220 HE1 HIS 10 HE1 HIS 10 5.985 6.943 -7.563
221 H LEU 11 HN LEU 11 0.897 4.768 -3.354
222 HA LEU 11 HA LEU 11 0.733 2.434 -1.659
223 1HB LEU 11 HB2 LEU 11 0.538 4.744 -0.778
224 2HB LEU 11 HB1 LEU 11 -0.980 4.942 -1.653
225 HG LEU 11 HG LEU 11 -1.952 3.052 -0.374
226 1HD1 LEU 11 HD12 LEU 11 0.848 2.938 0.666
227 2HD1 LEU 11 HD11 LEU 11 -0.461 2.546 1.781
228 3HD1 LEU 11 HD13 LEU 11 -0.266 1.620 0.291
229 1HD2 LEU 11 HD22 LEU 11 -1.765 5.576 0.436
230 2HD2 LEU 11 HD21 LEU 11 -2.445 4.339 1.493
231 3HD2 LEU 11 HD23 LEU 11 -0.773 4.859 1.706
232 H VAL 12 HN VAL 12 -1.709 4.073 -3.720
233 HA VAL 12 HA VAL 12 -3.839 2.277 -3.319
234 HB VAL 12 HB VAL 12 -3.163 3.575 -5.973
235 1HG1 VAL 12 HG11 VAL 12 -5.659 2.496 -4.658
236 2HG1 VAL 12 HG13 VAL 12 -5.760 3.715 -5.931
237 3HG1 VAL 12 HG12 VAL 12 -5.023 2.149 -6.267
238 1HG2 VAL 12 HG23 VAL 12 -4.010 4.716 -3.364
239 2HG2 VAL 12 HG22 VAL 12 -3.157 5.482 -4.705
240 3HG2 VAL 12 HG21 VAL 12 -4.908 5.280 -4.774
241 H GLU 13 HN GLU 13 -1.311 2.095 -5.837
242 HA GLU 13 HA GLU 13 -2.192 -0.323 -7.045
243 1HB GLU 13 HB2 GLU 13 -0.463 1.216 -7.998
244 2HB GLU 13 HB1 GLU 13 0.669 0.656 -6.765
245 1HG GLU 13 HG2 GLU 13 0.183 -1.715 -7.621
246 2HG GLU 13 HG1 GLU 13 -0.583 -0.941 -9.009
247 H ALA 14 HN ALA 14 -0.290 0.285 -4.154
248 HA ALA 14 HA ALA 14 0.676 -2.408 -3.798
249 1HB ALA 14 HB2 ALA 14 1.395 -0.150 -2.644
250 2HB ALA 14 HB1 ALA 14 0.126 -0.561 -1.489
251 3HB ALA 14 HB3 ALA 14 1.482 -1.659 -1.736
252 H LEU 15 HN LEU 15 -2.266 -0.702 -2.875
253 HA LEU 15 HA LEU 15 -3.268 -2.856 -1.190
254 1HB LEU 15 HB2 LEU 15 -4.933 -0.704 -2.518
255 2HB LEU 15 HB1 LEU 15 -5.291 -1.584 -1.034
256 HG LEU 15 HG LEU 15 -3.027 0.393 -1.425
257 1HD1 LEU 15 HD13 LEU 15 -5.736 0.529 -0.170
258 2HD1 LEU 15 HD12 LEU 15 -4.423 1.487 0.507
259 3HD1 LEU 15 HD11 LEU 15 -4.910 1.721 -1.172
260 1HD2 LEU 15 HD22 LEU 15 -3.879 -1.253 0.970
261 2HD2 LEU 15 HD21 LEU 15 -2.324 -1.316 0.136
262 3HD2 LEU 15 HD23 LEU 15 -2.771 0.118 1.065
263 H GLU 16 HN GLU 16 -3.327 -2.099 -4.602
264 HA GLU 16 HA GLU 16 -5.545 -3.852 -5.274
265 1HB GLU 16 HB2 GLU 16 -4.608 -1.898 -6.668
266 2HB GLU 16 HB1 GLU 16 -3.318 -3.005 -7.138
267 1HG GLU 16 HG2 GLU 16 -4.777 -3.531 -8.820
268 2HG GLU 16 HG1 GLU 16 -5.465 -4.590 -7.590
269 H LEU 17 HN LEU 17 -2.060 -4.192 -4.931
270 HA LEU 17 HA LEU 17 -1.990 -6.868 -6.117
271 1HB LEU 17 HB2 LEU 17 -0.083 -4.902 -5.474
272 2HB LEU 17 HB1 LEU 17 0.262 -6.233 -4.374
273 HG LEU 17 HG LEU 17 -0.155 -7.595 -6.690
274 1HD1 LEU 17 HD13 LEU 17 1.180 -4.976 -7.428
275 2HD1 LEU 17 HD12 LEU 17 1.063 -6.389 -8.475
276 3HD1 LEU 17 HD11 LEU 17 -0.397 -5.523 -7.997
277 1HD2 LEU 17 HD23 LEU 17 1.859 -7.355 -4.944
278 2HD2 LEU 17 HD22 LEU 17 2.081 -8.140 -6.506
279 3HD2 LEU 17 HD21 LEU 17 2.577 -6.463 -6.284
280 H VAL 18 HN VAL 18 -2.200 -5.469 -2.882
281 HA VAL 18 HA VAL 18 -1.874 -8.050 -1.545
282 HB VAL 18 HB VAL 18 -2.876 -5.417 -0.420
283 1HG1 VAL 18 HG12 VAL 18 -1.967 -8.035 0.766
284 2HG1 VAL 18 HG11 VAL 18 -1.801 -6.536 1.679
285 3HG1 VAL 18 HG13 VAL 18 -3.396 -7.079 1.159
286 1HG2 VAL 18 HG23 VAL 18 -0.450 -5.710 -1.562
287 2HG2 VAL 18 HG22 VAL 18 -0.694 -4.742 -0.109
288 3HG2 VAL 18 HG21 VAL 18 -0.091 -6.393 0.024
289 H CYS 19 HN CYS 19 -4.594 -5.721 -1.361
290 HA CYS 19 HA CYS 19 -6.527 -7.614 -0.509
291 1HB CYS 19 HB2 CYS 19 -7.065 -5.152 -2.196
292 2HB CYS 19 HB1 CYS 19 -8.204 -5.969 -1.129
293 H GLY 20 HN GLY 20 -6.408 -6.166 -3.788
294 1HA GLY 20 HA2 GLY 20 -6.259 -7.680 -5.764
295 2HA GLY 20 HA1 GLY 20 -7.253 -8.827 -4.864
296 H GLU 21 HN GLU 21 -9.132 -6.928 -3.813
297 HA GLU 21 HA GLU 21 -10.916 -6.724 -6.087
298 1HB GLU 21 HB2 GLU 21 -11.187 -6.728 -3.297
299 2HB GLU 21 HB1 GLU 21 -11.705 -5.114 -3.781
300 1HG GLU 21 HG2 GLU 21 -13.515 -5.897 -4.962
301 2HG GLU 21 HG1 GLU 21 -12.706 -7.400 -5.410
302 H ARG 22 HN ARG 22 -12.173 -4.344 -6.008
303 HA ARG 22 HA ARG 22 -10.042 -2.449 -6.866
304 1HB ARG 22 HB2 ARG 22 -12.350 -3.211 -8.128
305 2HB ARG 22 HB1 ARG 22 -12.877 -1.731 -7.325
306 1HG ARG 22 HG2 ARG 22 -10.847 -0.581 -8.291
307 2HG ARG 22 HG1 ARG 22 -10.539 -2.043 -9.226
308 1HD ARG 22 HD2 ARG 22 -12.177 -1.566 -10.708
309 2HD ARG 22 HD1 ARG 22 -13.320 -1.119 -9.449
310 HE ARG 22 HE ARG 22 -11.861 0.684 -11.113
311 1HH1 ARG 22 HH21 ARG 22 -12.670 0.299 -7.740
312 2HH1 ARG 22 HH22 ARG 22 -12.290 1.940 -7.361
313 1HH2 ARG 22 HH11 ARG 22 -11.408 2.802 -10.586
314 2HH2 ARG 22 HH12 ARG 22 -11.594 3.348 -8.954
315 H GLY 23 HN GLY 23 -13.256 -2.115 -5.306
316 1HA GLY 23 HA2 GLY 23 -12.188 0.191 -3.765
317 2HA GLY 23 HA1 GLY 23 -13.895 -0.218 -3.947
318 H GLY 24 HN GLY 24 -11.214 -2.354 -3.005
319 1HA GLY 24 HA2 GLY 24 -12.704 -2.924 -0.479
320 2HA GLY 24 HA1 GLY 24 -11.632 -4.068 -1.284
321 H PHE 25 HN PHE 25 -10.907 -0.643 -0.776
322 HA PHE 25 HA PHE 25 -9.348 -0.953 1.603
323 1HB PHE 25 HB2 PHE 25 -7.071 -0.771 0.524
324 2HB PHE 25 HB1 PHE 25 -7.861 -2.327 0.288
325 HD1 PHE 25 HD2 PHE 25 -7.265 0.985 -1.342
326 HD2 PHE 25 HD1 PHE 25 -8.321 -3.144 -1.878
327 HE1 PHE 25 HE2 PHE 25 -7.104 1.264 -3.796
328 HE2 PHE 25 HE1 PHE 25 -8.158 -2.864 -4.336
329 HZ PHE 25 HZ PHE 25 -7.550 -0.659 -5.295
330 H TYR 26 HN TYR 26 -7.449 0.964 1.381
331 HA TYR 26 HA TYR 26 -8.818 3.413 1.481
332 1HB TYR 26 HB2 TYR 26 -6.677 3.334 2.484
333 2HB TYR 26 HB1 TYR 26 -5.924 2.681 1.040
334 HD1 TYR 26 HD2 TYR 26 -8.186 5.646 1.462
335 HD2 TYR 26 HD1 TYR 26 -4.278 4.209 0.401
336 HE1 TYR 26 HE2 TYR 26 -7.544 7.931 0.741
337 HE2 TYR 26 HE1 TYR 26 -3.637 6.495 -0.320
338 HH TYR 26 HH TYR 26 -4.842 8.573 -1.131
339 H THR 27 HN THR 27 -10.001 4.263 -0.162
340 HA THR 27 HA THR 27 -8.832 4.233 -2.915
341 HB THR 27 HB THR 27 -11.393 4.709 -3.452
342 HG1 THR 27 HG1 THR 27 -12.723 4.104 -1.921
343 1HG2 THR 27 HG22 THR 27 -10.312 1.981 -2.696
344 2HG2 THR 27 HG21 THR 27 -11.695 2.281 -3.746
345 3HG2 THR 27 HG23 THR 27 -10.082 2.782 -4.249
346 HA PRO 28 HA PRO 28 -8.643 8.650 -1.622
347 1HB PRO 28 HB2 PRO 28 -7.055 9.087 -4.004
348 2HB PRO 28 HB1 PRO 28 -6.554 9.198 -2.311
349 1HG PRO 28 HG2 PRO 28 -5.880 7.149 -4.191
350 2HG PRO 28 HG1 PRO 28 -5.447 7.226 -2.478
351 1HD PRO 28 HD2 PRO 28 -7.347 5.469 -3.743
352 2HD PRO 28 HD1 PRO 28 -6.898 5.540 -2.030
353 H LYS 29 HN LYS 29 -10.597 9.558 -2.147
354 HA LYS 29 HA LYS 29 -12.329 10.477 -3.427
355 1HB LYS 29 HB2 LYS 29 -10.070 10.645 -5.439
356 2HB LYS 29 HB1 LYS 29 -11.645 11.408 -5.654
357 1HG LYS 29 HG2 LYS 29 -11.225 13.029 -4.101
358 2HG LYS 29 HG1 LYS 29 -10.302 11.943 -3.063
359 1HD LYS 29 HD2 LYS 29 -9.262 12.964 -5.714
360 2HD LYS 29 HD1 LYS 29 -8.943 13.773 -4.180
361 1HE LYS 29 HE2 LYS 29 -7.984 11.624 -3.311
362 2HE LYS 29 HE1 LYS 29 -8.169 10.941 -4.926
363 1HZ LYS 29 HZ1 LYS 29 -6.743 13.489 -4.559
364 2HZ LYS 29 HZ3 LYS 29 -5.942 12.023 -4.266
365 3HZ LYS 29 HZ2 LYS 29 -6.590 12.342 -5.803
No H/Q in entry = 365
Start of MODEL 6
1 1H GLY 1 HT1 GLY 1 0.996 7.213 11.644
2 2H GLY 1 HT3 GLY 1 2.007 8.137 10.642
3 3H GLY 1 HT2 GLY 1 1.037 8.904 11.807
4 1HA GLY 1 HA2 GLY 1 -0.909 8.574 10.632
5 2HA GLY 1 HA1 GLY 1 0.271 8.953 9.375
6 H ILE 2 HN ILE 2 -0.118 7.653 7.654
7 HA ILE 2 HA ILE 2 -0.281 4.724 8.121
8 HB ILE 2 HB ILE 2 -2.612 5.530 7.940
9 1HG1 ILE 2 HG12 ILE 2 -2.027 4.206 5.307
10 2HG1 ILE 2 HG11 ILE 2 -1.662 3.351 6.805
11 1HG2 ILE 2 HG22 ILE 2 -1.971 7.536 6.503
12 2HG2 ILE 2 HG21 ILE 2 -1.918 6.424 5.136
13 3HG2 ILE 2 HG23 ILE 2 -3.428 6.675 6.009
14 1HD1 ILE 2 HD12 ILE 2 -4.324 4.637 6.735
15 2HD1 ILE 2 HD11 ILE 2 -4.107 3.314 5.588
16 3HD1 ILE 2 HD13 ILE 2 -3.859 3.037 7.311
17 H VAL 3 HN VAL 3 -0.017 7.339 5.702
18 HA VAL 3 HA VAL 3 1.409 5.531 3.845
19 HB VAL 3 HB VAL 3 0.776 8.488 3.584
20 1HG1 VAL 3 HG11 VAL 3 2.617 7.233 2.157
21 2HG1 VAL 3 HG13 VAL 3 1.215 6.599 1.296
22 3HG1 VAL 3 HG12 VAL 3 1.488 8.339 1.378
23 1HG2 VAL 3 HG21 VAL 3 -0.826 6.022 3.136
24 2HG2 VAL 3 HG23 VAL 3 -1.361 7.659 3.516
25 3HG2 VAL 3 HG22 VAL 3 -0.910 7.242 1.864
26 H GLU 4 HN GLU 4 2.005 8.528 5.671
27 HA GLU 4 HA GLU 4 4.722 8.891 4.932
28 1HB GLU 4 HB2 GLU 4 2.927 10.242 6.502
29 2HB GLU 4 HB1 GLU 4 4.037 9.606 7.717
30 1HG GLU 4 HG2 GLU 4 5.013 11.029 5.234
31 2HG GLU 4 HG1 GLU 4 4.636 11.891 6.726
32 H GLN 5 HN GLN 5 3.262 6.585 7.096
33 HA GLN 5 HA GLN 5 5.502 6.034 8.780
34 1HB GLN 5 HB2 GLN 5 2.966 4.684 8.055
35 2HB GLN 5 HB1 GLN 5 4.248 3.621 8.634
36 1HG GLN 5 HG2 GLN 5 4.489 5.529 10.484
37 2HG GLN 5 HG1 GLN 5 2.795 5.799 10.072
38 1HE2 GLN 5 HE22 GLN 5 3.857 2.474 12.161
39 2HE2 GLN 5 HE21 GLN 5 5.030 3.572 11.615
40 H CYS 6 HN CYS 6 4.540 4.629 5.627
41 HA CYS 6 HA CYS 6 7.248 3.355 5.538
42 1HB CYS 6 HB2 CYS 6 4.732 2.403 4.139
43 2HB CYS 6 HB1 CYS 6 6.296 1.585 4.165
44 H CYS 7 HN CYS 7 6.364 6.071 4.603
45 HA CYS 7 HA CYS 7 6.417 5.874 1.673
46 1HB CYS 7 HB2 CYS 7 5.473 7.774 3.460
47 2HB CYS 7 HB1 CYS 7 6.944 8.523 2.848
48 H THR 8 HN THR 8 8.603 6.965 4.265
49 HA THR 8 HA THR 8 10.769 7.475 2.349
50 HB THR 8 HB THR 8 10.590 8.923 4.303
51 HG1 THR 8 HG1 THR 8 12.676 8.949 4.517
52 1HG2 THR 8 HG21 THR 8 9.948 6.520 5.643
53 2HG2 THR 8 HG23 THR 8 11.465 7.076 6.344
54 3HG2 THR 8 HG22 THR 8 10.055 8.134 6.339
55 H SER 9 HN SER 9 9.751 4.907 4.501
56 HA SER 9 HA SER 9 12.211 3.373 3.755
57 1HB SER 9 HB2 SER 9 10.441 2.771 6.127
58 2HB SER 9 HB1 SER 9 12.084 2.215 5.828
59 HG SER 9 HG SER 9 12.548 3.885 7.039
60 H ILE 10 HN ILE 10 11.752 0.936 3.689
61 HA ILE 10 HA ILE 10 9.133 0.507 2.313
62 HB ILE 10 HB ILE 10 11.506 -1.355 2.117
63 1HG1 ILE 10 HG12 ILE 10 10.925 1.007 0.299
64 2HG1 ILE 10 HG11 ILE 10 12.228 0.968 1.485
65 1HG2 ILE 10 HG23 ILE 10 9.130 -1.928 1.329
66 2HG2 ILE 10 HG22 ILE 10 9.367 -0.701 0.084
67 3HG2 ILE 10 HG21 ILE 10 10.419 -2.115 0.141
68 1HD1 ILE 10 HD13 ILE 10 12.741 -1.349 0.197
69 2HD1 ILE 10 HD12 ILE 10 11.996 -0.444 -1.121
70 3HD1 ILE 10 HD11 ILE 10 13.426 0.196 -0.313
71 H CYS 11 HN CYS 11 7.924 0.053 4.228
72 HA CYS 11 HA CYS 11 8.726 -1.734 6.292
73 1HB CYS 11 HB2 CYS 11 5.925 -1.159 5.279
74 2HB CYS 11 HB1 CYS 11 6.318 -1.901 6.828
75 H SER 12 HN SER 12 6.888 -3.748 6.520
76 HA SER 12 HA SER 12 7.726 -5.579 4.346
77 1HB SER 12 HB2 SER 12 6.319 -6.132 6.970
78 2HB SER 12 HB1 SER 12 6.905 -7.354 5.847
79 HG SER 12 HG SER 12 8.984 -6.705 6.252
80 H LEU 13 HN LEU 13 6.081 -7.042 3.416
81 HA LEU 13 HA LEU 13 3.731 -5.583 2.574
82 1HB LEU 13 HB2 LEU 13 4.945 -7.201 1.126
83 2HB LEU 13 HB1 LEU 13 4.429 -8.511 2.182
84 HG LEU 13 HG LEU 13 3.072 -8.144 0.035
85 1HD1 LEU 13 HD11 LEU 13 2.326 -9.024 2.569
86 2HD1 LEU 13 HD13 LEU 13 1.025 -7.930 2.099
87 3HD1 LEU 13 HD12 LEU 13 1.445 -9.295 1.068
88 1HD2 LEU 13 HD21 LEU 13 3.021 -5.551 0.619
89 2HD2 LEU 13 HD23 LEU 13 1.668 -6.316 -0.213
90 3HD2 LEU 13 HD22 LEU 13 1.579 -6.013 1.522
91 H TYR 14 HN TYR 14 4.361 -7.926 5.120
92 HA TYR 14 HA TYR 14 1.627 -8.713 5.499
93 1HB TYR 14 HB2 TYR 14 2.301 -9.604 7.635
94 2HB TYR 14 HB1 TYR 14 3.594 -9.923 6.489
95 HD1 TYR 14 HD1 TYR 14 2.523 -7.487 9.128
96 HD2 TYR 14 HD2 TYR 14 5.791 -9.239 6.961
97 HE1 TYR 14 HE1 TYR 14 4.129 -6.356 10.640
98 HE2 TYR 14 HE2 TYR 14 7.399 -8.116 8.483
99 HH TYR 14 HH TYR 14 7.096 -7.192 11.119
100 H GLN 15 HN GLN 15 3.266 -5.751 6.153
101 HA GLN 15 HA GLN 15 1.460 -4.868 8.276
102 1HB GLN 15 HB2 GLN 15 3.842 -4.021 7.883
103 2HB GLN 15 HB1 GLN 15 3.194 -3.121 6.512
104 1HG GLN 15 HG2 GLN 15 3.102 -1.578 8.304
105 2HG GLN 15 HG1 GLN 15 1.455 -2.197 8.188
106 1HE2 GLN 15 HE22 GLN 15 3.756 -3.724 11.248
107 2HE2 GLN 15 HE21 GLN 15 4.483 -3.427 9.744
108 H LEU 16 HN LEU 16 1.821 -4.249 4.780
109 HA LEU 16 HA LEU 16 -0.398 -2.443 4.564
110 1HB LEU 16 HB2 LEU 16 1.400 -3.875 2.740
111 2HB LEU 16 HB1 LEU 16 -0.232 -3.715 2.096
112 HG LEU 16 HG LEU 16 1.176 -1.352 3.325
113 1HD1 LEU 16 HD11 LEU 16 2.353 -2.657 1.280
114 2HD1 LEU 16 HD13 LEU 16 1.192 -1.693 0.365
115 3HD1 LEU 16 HD12 LEU 16 2.369 -0.899 1.414
116 1HD2 LEU 16 HD23 LEU 16 -1.273 -1.906 1.742
117 2HD2 LEU 16 HD22 LEU 16 -0.960 -0.635 2.923
118 3HD2 LEU 16 HD21 LEU 16 -0.379 -0.462 1.269
119 H GLU 17 HN GLU 17 -0.236 -5.886 4.940
120 HA GLU 17 HA GLU 17 -2.596 -6.747 3.659
121 1HB GLU 17 HB2 GLU 17 -0.813 -8.131 4.903
122 2HB GLU 17 HB1 GLU 17 -1.738 -7.775 6.362
123 1HG GLU 17 HG2 GLU 17 -3.790 -8.623 5.047
124 2HG GLU 17 HG1 GLU 17 -2.621 -9.306 3.916
125 H ASN 18 HN ASN 18 -2.246 -4.742 6.485
126 HA ASN 18 HA ASN 18 -5.057 -5.195 7.305
127 1HB ASN 18 HB2 ASN 18 -2.981 -4.877 8.886
128 2HB ASN 18 HB1 ASN 18 -3.233 -3.161 8.558
129 1HD2 ASN 18 HD22 ASN 18 -5.786 -2.994 10.962
130 2HD2 ASN 18 HD21 ASN 18 -4.476 -2.240 10.187
131 H TYR 19 HN TYR 19 -4.448 -3.922 4.714
132 HA TYR 19 HA TYR 19 -5.529 -1.185 5.220
133 1HB TYR 19 HB2 TYR 19 -3.726 -2.287 3.074
134 2HB TYR 19 HB1 TYR 19 -4.667 -0.823 2.794
135 HD1 TYR 19 HD2 TYR 19 -2.661 -2.249 5.644
136 HD2 TYR 19 HD1 TYR 19 -3.484 1.143 3.139
137 HE1 TYR 19 HE2 TYR 19 -0.967 -0.922 6.880
138 HE2 TYR 19 HE1 TYR 19 -1.791 2.469 4.373
139 HH TYR 19 HH TYR 19 -0.607 1.647 7.313
140 H CYS 20 HN CYS 20 -6.749 -4.093 4.579
141 HA CYS 20 HA CYS 20 -8.391 -3.307 2.236
142 1HB CYS 20 HB2 CYS 20 -8.118 -5.922 3.738
143 2HB CYS 20 HB1 CYS 20 -9.236 -5.669 2.398
144 H ASN 21 HN ASN 21 -8.677 -2.068 4.942
145 HA ASN 21 HA ASN 21 -11.067 -3.115 6.185
146 1HB ASN 21 HB2 ASN 21 -9.343 -0.715 6.469
147 2HB ASN 21 HB1 ASN 21 -11.020 -0.516 6.981
148 1HD2 ASN 21 HD22 ASN 21 -10.735 -2.868 9.683
149 2HD2 ASN 21 HD21 ASN 21 -11.844 -2.200 8.585
150 1H PHE 1 HT1 PHE 1 7.223 -2.876 1.804
151 2H PHE 1 HT3 PHE 1 5.609 -2.356 1.788
152 3H PHE 1 HT2 PHE 1 6.116 -3.514 2.922
153 HA PHE 1 HA PHE 1 5.040 -4.795 1.358
154 1HB PHE 1 HB2 PHE 1 4.874 -2.799 -0.209
155 2HB PHE 1 HB1 PHE 1 6.441 -3.257 -0.842
156 HD1 PHE 1 HD2 PHE 1 6.372 -6.155 -1.112
157 HD2 PHE 1 HD1 PHE 1 3.207 -3.325 -1.704
158 HE1 PHE 1 HE2 PHE 1 5.276 -7.723 -2.647
159 HE2 PHE 1 HE1 PHE 1 2.105 -4.905 -3.254
160 HZ PHE 1 HZ PHE 1 3.149 -7.096 -3.720
161 H VAL 2 HN VAL 2 8.040 -4.057 -0.430
162 HA VAL 2 HA VAL 2 9.531 -6.192 0.866
163 HB VAL 2 HB VAL 2 8.039 -7.523 -0.573
164 1HG1 VAL 2 HG13 VAL 2 7.861 -5.518 -2.266
165 2HG1 VAL 2 HG12 VAL 2 9.259 -6.282 -3.024
166 3HG1 VAL 2 HG11 VAL 2 7.742 -7.173 -2.861
167 1HG2 VAL 2 HG21 VAL 2 10.684 -7.862 -0.342
168 2HG2 VAL 2 HG23 VAL 2 9.696 -8.922 -1.349
169 3HG2 VAL 2 HG22 VAL 2 10.610 -7.605 -2.084
170 H ASN 3 HN ASN 3 9.224 -4.112 -2.012
171 HA ASN 3 HA ASN 3 11.917 -3.056 -1.546
172 1HB ASN 3 HB2 ASN 3 11.245 -4.760 -3.952
173 2HB ASN 3 HB1 ASN 3 12.549 -3.574 -3.987
174 1HD2 ASN 3 HD22 ASN 3 14.340 -5.408 -1.305
175 2HD2 ASN 3 HD21 ASN 3 13.786 -3.822 -1.553
176 H GLN 4 HN GLN 4 9.091 -2.112 -1.693
177 HA GLN 4 HA GLN 4 9.543 0.083 -3.643
178 1HB GLN 4 HB2 GLN 4 7.246 -1.854 -3.624
179 2HB GLN 4 HB1 GLN 4 6.968 -0.187 -4.128
180 1HG GLN 4 HG2 GLN 4 7.613 -0.948 -6.177
181 2HG GLN 4 HG1 GLN 4 9.241 -0.766 -5.526
182 1HE2 GLN 4 HE22 GLN 4 8.569 -4.313 -6.818
183 2HE2 GLN 4 HE21 GLN 4 8.203 -2.803 -7.506
184 H HIS 5 HN HIS 5 9.007 2.026 -2.750
185 HA HIS 5 HA HIS 5 7.925 2.083 -0.026
186 1HB HIS 5 HB2 HIS 5 8.744 4.306 -1.921
187 2HB HIS 5 HB1 HIS 5 8.269 4.546 -0.240
188 HD1 HIS 5 HD1 HIS 5 10.971 2.923 -2.336
189 HD2 HIS 5 HD2 HIS 5 10.250 3.916 1.645
190 HE1 HIS 5 HE1 HIS 5 13.143 2.530 -1.093
191 H LEU 6 HN LEU 6 6.077 3.582 0.499
192 HA LEU 6 HA LEU 6 3.976 3.382 -1.617
193 1HB LEU 6 HB2 LEU 6 3.583 3.688 1.378
194 2HB LEU 6 HB1 LEU 6 2.329 3.394 0.185
195 HG LEU 6 HG LEU 6 2.729 1.286 1.199
196 1HD1 LEU 6 HD11 LEU 6 3.164 1.594 -1.501
197 2HD1 LEU 6 HD13 LEU 6 4.602 0.707 -0.998
198 3HD1 LEU 6 HD12 LEU 6 2.999 0.044 -0.678
199 1HD2 LEU 6 HD22 LEU 6 5.131 2.287 1.946
200 2HD2 LEU 6 HD21 LEU 6 4.725 0.573 2.045
201 3HD2 LEU 6 HD23 LEU 6 5.645 1.184 0.669
202 H CYS 7 HN CYS 7 4.745 5.421 -2.561
203 HA CYS 7 HA CYS 7 3.760 7.773 -1.004
204 1HB CYS 7 HB2 CYS 7 6.245 7.663 -2.742
205 2HB CYS 7 HB1 CYS 7 5.601 9.118 -1.983
206 H GLY 8 HN GLY 8 2.136 8.742 -2.085
207 1HA GLY 8 HA2 GLY 8 1.018 9.758 -3.910
208 2HA GLY 8 HA1 GLY 8 2.301 9.187 -4.977
209 H SER 9 HN SER 9 1.400 7.902 -6.499
210 HA SER 9 HA SER 9 -0.984 6.295 -5.899
211 1HB SER 9 HB2 SER 9 -0.960 5.743 -8.267
212 2HB SER 9 HB1 SER 9 -0.698 7.474 -8.080
213 HG SER 9 HG SER 9 1.176 5.436 -8.662
214 H HIS 10 HN HIS 10 2.384 5.804 -5.619
215 HA HIS 10 HA HIS 10 2.636 3.071 -6.417
216 1HB HIS 10 HB2 HIS 10 4.079 4.776 -4.386
217 2HB HIS 10 HB1 HIS 10 4.484 3.076 -4.613
218 HD1 HIS 10 HD1 HIS 10 5.997 2.517 -6.538
219 HD2 HIS 10 HD2 HIS 10 4.382 6.343 -6.891
220 HE1 HIS 10 HE1 HIS 10 7.124 3.588 -8.535
221 H LEU 11 HN LEU 11 1.224 4.571 -3.588
222 HA LEU 11 HA LEU 11 1.159 2.189 -1.955
223 1HB LEU 11 HB2 LEU 11 0.930 4.372 -0.901
224 2HB LEU 11 HB1 LEU 11 -0.480 4.746 -1.885
225 HG LEU 11 HG LEU 11 -1.710 2.877 -0.811
226 1HD1 LEU 11 HD11 LEU 11 0.874 2.062 -0.014
227 2HD1 LEU 11 HD13 LEU 11 0.041 2.518 1.471
228 3HD1 LEU 11 HD12 LEU 11 -0.659 1.303 0.403
229 1HD2 LEU 11 HD21 LEU 11 -1.340 5.352 0.157
230 2HD2 LEU 11 HD23 LEU 11 -2.315 4.155 1.008
231 3HD2 LEU 11 HD22 LEU 11 -0.645 4.440 1.496
232 H VAL 12 HN VAL 12 -1.500 3.896 -3.649
233 HA VAL 12 HA VAL 12 -3.519 2.006 -3.399
234 HB VAL 12 HB VAL 12 -2.939 3.603 -5.907
235 1HG1 VAL 12 HG12 VAL 12 -4.730 1.856 -6.065
236 2HG1 VAL 12 HG11 VAL 12 -5.565 2.645 -4.726
237 3HG1 VAL 12 HG13 VAL 12 -5.347 3.498 -6.255
238 1HG2 VAL 12 HG23 VAL 12 -3.845 4.362 -3.184
239 2HG2 VAL 12 HG22 VAL 12 -3.033 5.333 -4.413
240 3HG2 VAL 12 HG21 VAL 12 -4.772 5.051 -4.517
241 H GLU 13 HN GLU 13 -1.117 2.075 -6.049
242 HA GLU 13 HA GLU 13 -2.035 -0.188 -7.462
243 1HB GLU 13 HB2 GLU 13 -0.262 1.435 -8.211
244 2HB GLU 13 HB1 GLU 13 0.863 0.626 -7.121
245 1HG GLU 13 HG2 GLU 13 0.844 -1.357 -8.362
246 2HG GLU 13 HG1 GLU 13 -0.709 -0.986 -9.112
247 H ALA 14 HN ALA 14 0.156 -0.011 -4.664
248 HA ALA 14 HA ALA 14 0.792 -2.828 -4.688
249 1HB ALA 14 HB3 ALA 14 1.743 -0.605 -3.333
250 2HB ALA 14 HB2 ALA 14 0.940 -1.535 -2.064
251 3HB ALA 14 HB1 ALA 14 2.215 -2.279 -3.030
252 H LEU 15 HN LEU 15 -1.839 -0.930 -3.318
253 HA LEU 15 HA LEU 15 -2.780 -2.926 -1.469
254 1HB LEU 15 HB2 LEU 15 -4.468 -0.879 -2.944
255 2HB LEU 15 HB1 LEU 15 -4.859 -1.677 -1.422
256 HG LEU 15 HG LEU 15 -2.573 0.252 -1.885
257 1HD1 LEU 15 HD11 LEU 15 -5.297 0.465 -0.676
258 2HD1 LEU 15 HD13 LEU 15 -3.984 1.423 0.010
259 3HD1 LEU 15 HD12 LEU 15 -4.429 1.620 -1.685
260 1HD2 LEU 15 HD23 LEU 15 -3.236 -1.614 0.334
261 2HD2 LEU 15 HD22 LEU 15 -1.667 -0.997 -0.184
262 3HD2 LEU 15 HD21 LEU 15 -2.731 0.013 0.796
263 H GLU 16 HN GLU 16 -3.364 -2.278 -4.900
264 HA GLU 16 HA GLU 16 -5.383 -4.308 -5.264
265 1HB GLU 16 HB2 GLU 16 -3.393 -3.162 -7.257
266 2HB GLU 16 HB1 GLU 16 -4.816 -4.117 -7.671
267 1HG GLU 16 HG2 GLU 16 -6.305 -2.428 -6.910
268 2HG GLU 16 HG1 GLU 16 -5.020 -1.575 -6.053
269 H LEU 17 HN LEU 17 -1.863 -4.258 -5.283
270 HA LEU 17 HA LEU 17 -1.379 -6.862 -6.349
271 1HB LEU 17 HB2 LEU 17 0.151 -4.752 -5.318
272 2HB LEU 17 HB1 LEU 17 0.478 -6.092 -4.223
273 HG LEU 17 HG LEU 17 1.017 -7.528 -6.181
274 1HD1 LEU 17 HD11 LEU 17 -0.394 -5.702 -7.644
275 2HD1 LEU 17 HD13 LEU 17 1.260 -5.202 -7.994
276 3HD1 LEU 17 HD12 LEU 17 0.746 -6.852 -8.342
277 1HD2 LEU 17 HD23 LEU 17 2.521 -5.239 -5.209
278 2HD2 LEU 17 HD22 LEU 17 3.107 -6.835 -5.677
279 3HD2 LEU 17 HD21 LEU 17 2.934 -5.572 -6.893
280 H VAL 18 HN VAL 18 -2.232 -5.744 -3.103
281 HA VAL 18 HA VAL 18 -1.897 -8.439 -1.958
282 HB VAL 18 HB VAL 18 -3.009 -5.911 -0.696
283 1HG1 VAL 18 HG11 VAL 18 -2.256 -8.637 0.345
284 2HG1 VAL 18 HG13 VAL 18 -2.177 -7.221 1.396
285 3HG1 VAL 18 HG12 VAL 18 -3.713 -7.696 0.667
286 1HG2 VAL 18 HG23 VAL 18 -0.665 -5.684 -1.494
287 2HG2 VAL 18 HG22 VAL 18 -0.774 -5.654 0.267
288 3HG2 VAL 18 HG21 VAL 18 -0.229 -7.116 -0.558
289 H CYS 19 HN CYS 19 -4.680 -6.211 -1.621
290 HA CYS 19 HA CYS 19 -6.533 -8.450 -1.523
291 1HB CYS 19 HB2 CYS 19 -6.637 -5.519 -1.157
292 2HB CYS 19 HB1 CYS 19 -8.098 -6.201 -1.869
293 H GLY 20 HN GLY 20 -6.816 -5.584 -3.626
294 1HA GLY 20 HA2 GLY 20 -6.775 -5.630 -6.046
295 2HA GLY 20 HA1 GLY 20 -7.032 -7.373 -5.989
296 H GLU 21 HN GLU 21 -9.018 -5.513 -3.852
297 HA GLU 21 HA GLU 21 -11.383 -6.201 -5.485
298 1HB GLU 21 HB2 GLU 21 -10.902 -5.347 -2.653
299 2HB GLU 21 HB1 GLU 21 -12.486 -5.035 -3.364
300 1HG GLU 21 HG2 GLU 21 -12.226 -7.569 -4.159
301 2HG GLU 21 HG1 GLU 21 -11.162 -7.646 -2.754
302 H ARG 22 HN ARG 22 -13.037 -4.504 -5.897
303 HA ARG 22 HA ARG 22 -11.804 -2.092 -6.955
304 1HB ARG 22 HB2 ARG 22 -14.572 -3.237 -6.874
305 2HB ARG 22 HB1 ARG 22 -14.378 -1.524 -7.244
306 1HG ARG 22 HG2 ARG 22 -13.678 -1.983 -9.336
307 2HG ARG 22 HG1 ARG 22 -12.441 -3.085 -8.735
308 1HD ARG 22 HD2 ARG 22 -14.850 -4.472 -8.389
309 2HD ARG 22 HD1 ARG 22 -15.017 -3.690 -9.957
310 HE ARG 22 HE ARG 22 -13.422 -5.987 -9.389
311 1HH1 ARG 22 HH21 ARG 22 -13.153 -2.960 -11.105
312 2HH1 ARG 22 HH22 ARG 22 -11.766 -3.476 -11.998
313 1HH2 ARG 22 HH11 ARG 22 -11.647 -6.625 -10.577
314 2HH2 ARG 22 HH12 ARG 22 -10.928 -5.534 -11.713
315 H GLY 23 HN GLY 23 -13.903 -2.850 -4.190
316 1HA GLY 23 HA2 GLY 23 -13.174 -0.192 -3.045
317 2HA GLY 23 HA1 GLY 23 -14.857 -0.720 -3.026
318 H GLY 24 HN GLY 24 -11.661 -2.099 -2.184
319 1HA GLY 24 HA2 GLY 24 -12.891 -3.069 0.365
320 2HA GLY 24 HA1 GLY 24 -11.769 -4.063 -0.561
321 H PHE 25 HN PHE 25 -9.896 -2.044 -1.272
322 HA PHE 25 HA PHE 25 -8.681 -1.565 1.402
323 1HB PHE 25 HB2 PHE 25 -6.550 -1.233 0.042
324 2HB PHE 25 HB1 PHE 25 -7.216 -2.863 0.038
325 HD1 PHE 25 HD2 PHE 25 -6.914 0.269 -1.924
326 HD2 PHE 25 HD1 PHE 25 -8.041 -3.870 -1.975
327 HE1 PHE 25 HE2 PHE 25 -7.052 0.341 -4.399
328 HE2 PHE 25 HE1 PHE 25 -8.180 -3.801 -4.449
329 HZ PHE 25 HZ PHE 25 -7.687 -1.697 -5.662
330 H TYR 26 HN TYR 26 -6.976 0.427 1.062
331 HA TYR 26 HA TYR 26 -8.543 2.780 1.171
332 1HB TYR 26 HB2 TYR 26 -6.392 2.709 2.247
333 2HB TYR 26 HB1 TYR 26 -5.579 2.346 0.733
334 HD1 TYR 26 HD2 TYR 26 -8.192 4.927 1.525
335 HD2 TYR 26 HD1 TYR 26 -4.155 4.133 0.293
336 HE1 TYR 26 HE2 TYR 26 -7.840 7.347 1.120
337 HE2 TYR 26 HE1 TYR 26 -3.802 6.556 -0.111
338 HH TYR 26 HH TYR 26 -4.771 8.706 0.661
339 H THR 27 HN THR 27 -9.392 4.043 -0.383
340 HA THR 27 HA THR 27 -8.227 3.940 -3.134
341 HB THR 27 HB THR 27 -10.806 4.448 -3.704
342 HG1 THR 27 HG1 THR 27 -12.076 3.894 -2.149
343 1HG2 THR 27 HG23 THR 27 -9.112 2.473 -4.277
344 2HG2 THR 27 HG22 THR 27 -10.168 1.579 -3.184
345 3HG2 THR 27 HG21 THR 27 -10.833 2.338 -4.631
346 HA PRO 28 HA PRO 28 -8.122 8.292 -1.650
347 1HB PRO 28 HB2 PRO 28 -6.507 8.874 -3.981
348 2HB PRO 28 HB1 PRO 28 -6.028 8.894 -2.278
349 1HG PRO 28 HG2 PRO 28 -5.329 6.950 -4.268
350 2HG PRO 28 HG1 PRO 28 -4.885 6.954 -2.555
351 1HD PRO 28 HD2 PRO 28 -6.750 5.220 -3.881
352 2HD PRO 28 HD1 PRO 28 -6.327 5.249 -2.161
353 H LYS 29 HN LYS 29 -9.039 10.232 -2.614
354 HA LYS 29 HA LYS 29 -11.048 9.639 -4.676
355 1HB LYS 29 HB2 LYS 29 -11.168 11.194 -2.486
356 2HB LYS 29 HB1 LYS 29 -10.650 12.411 -3.653
357 1HG LYS 29 HG2 LYS 29 -12.862 10.584 -4.474
358 2HG LYS 29 HG1 LYS 29 -13.239 11.827 -3.280
359 1HD LYS 29 HD2 LYS 29 -12.254 13.538 -4.809
360 2HD LYS 29 HD1 LYS 29 -12.013 12.276 -6.016
361 1HE LYS 29 HE2 LYS 29 -14.094 13.420 -6.520
362 2HE LYS 29 HE1 LYS 29 -14.478 11.804 -5.926
363 1HZ LYS 29 HZ2 LYS 29 -14.410 14.215 -4.199
364 2HZ LYS 29 HZ1 LYS 29 -15.824 13.620 -4.927
365 3HZ LYS 29 HZ3 LYS 29 -14.993 12.671 -3.794
No H/Q in entry = 365
Start of MODEL 7
1 1H GLY 1 HT1 GLY 1 -4.261 8.835 8.998
2 2H GLY 1 HT3 GLY 1 -3.744 8.762 10.611
3 3H GLY 1 HT2 GLY 1 -3.773 10.253 9.798
4 1HA GLY 1 HA2 GLY 1 -1.952 9.733 8.473
5 2HA GLY 1 HA1 GLY 1 -1.524 9.120 10.072
6 H ILE 2 HN ILE 2 -3.532 7.919 7.363
7 HA ILE 2 HA ILE 2 -2.876 5.164 7.872
8 HB ILE 2 HB ILE 2 -4.929 5.864 6.683
9 1HG1 ILE 2 HG12 ILE 2 -4.524 4.303 4.600
10 2HG1 ILE 2 HG11 ILE 2 -2.971 3.994 5.377
11 1HG2 ILE 2 HG21 ILE 2 -3.651 7.707 5.394
12 2HG2 ILE 2 HG23 ILE 2 -3.216 6.427 4.264
13 3HG2 ILE 2 HG22 ILE 2 -4.912 6.830 4.528
14 1HD1 ILE 2 HD13 ILE 2 -5.510 3.823 6.980
15 2HD1 ILE 2 HD12 ILE 2 -5.008 2.465 5.975
16 3HD1 ILE 2 HD11 ILE 2 -3.961 3.037 7.273
17 H VAL 3 HN VAL 3 -1.638 7.546 5.523
18 HA VAL 3 HA VAL 3 0.361 5.596 4.565
19 HB VAL 3 HB VAL 3 0.007 8.500 3.775
20 1HG1 VAL 3 HG13 VAL 3 1.659 6.193 2.811
21 2HG1 VAL 3 HG12 VAL 3 1.055 7.347 1.621
22 3HG1 VAL 3 HG11 VAL 3 2.089 7.898 2.941
23 1HG2 VAL 3 HG22 VAL 3 -1.413 5.994 2.986
24 2HG2 VAL 3 HG21 VAL 3 -2.011 7.652 3.047
25 3HG2 VAL 3 HG23 VAL 3 -1.003 7.128 1.697
26 H GLU 4 HN GLU 4 0.213 7.601 7.225
27 HA GLU 4 HA GLU 4 3.059 8.431 7.061
28 1HB GLU 4 HB2 GLU 4 1.232 10.006 7.881
29 2HB GLU 4 HB1 GLU 4 1.113 8.979 9.310
30 1HG GLU 4 HG2 GLU 4 3.212 9.576 10.090
31 2HG GLU 4 HG1 GLU 4 3.822 9.940 8.475
32 H GLN 5 HN GLN 5 2.149 5.580 7.413
33 HA GLN 5 HA GLN 5 3.354 5.058 10.097
34 1HB GLN 5 HB2 GLN 5 0.989 4.225 9.638
35 2HB GLN 5 HB1 GLN 5 1.701 3.123 8.457
36 1HG GLN 5 HG2 GLN 5 2.986 3.158 11.134
37 2HG GLN 5 HG1 GLN 5 1.362 2.476 11.069
38 1HE2 GLN 5 HE22 GLN 5 2.382 -0.176 8.784
39 2HE2 GLN 5 HE21 GLN 5 1.097 0.907 9.020
40 H CYS 6 HN CYS 6 3.521 4.353 6.652
41 HA CYS 6 HA CYS 6 6.102 2.939 7.162
42 1HB CYS 6 HB2 CYS 6 3.718 2.039 5.706
43 2HB CYS 6 HB1 CYS 6 5.186 1.922 4.743
44 H CYS 7 HN CYS 7 4.975 5.766 6.054
45 HA CYS 7 HA CYS 7 6.356 5.881 3.466
46 1HB CYS 7 HB2 CYS 7 4.332 7.264 3.920
47 2HB CYS 7 HB1 CYS 7 5.226 8.127 5.171
48 H THR 8 HN THR 8 8.509 5.246 4.181
49 HA THR 8 HA THR 8 10.124 7.530 5.030
50 HB THR 8 HB THR 8 10.142 5.055 6.776
51 HG1 THR 8 HG1 THR 8 8.908 6.164 8.177
52 1HG2 THR 8 HG23 THR 8 11.612 7.665 6.708
53 2HG2 THR 8 HG22 THR 8 11.302 6.900 8.267
54 3HG2 THR 8 HG21 THR 8 12.228 6.044 7.034
55 H SER 9 HN SER 9 10.042 4.005 4.476
56 HA SER 9 HA SER 9 12.310 4.269 2.630
57 1HB SER 9 HB2 SER 9 13.301 4.034 4.948
58 2HB SER 9 HB1 SER 9 12.568 2.435 5.028
59 HG SER 9 HG SER 9 14.595 2.139 4.223
60 H ILE 10 HN ILE 10 12.384 1.074 3.505
61 HA ILE 10 HA ILE 10 10.367 0.438 1.421
62 HB ILE 10 HB ILE 10 11.894 -1.892 2.214
63 1HG1 ILE 10 HG12 ILE 10 13.665 -0.271 2.898
64 2HG1 ILE 10 HG11 ILE 10 14.144 -1.221 1.496
65 1HG2 ILE 10 HG23 ILE 10 10.724 -1.536 0.067
66 2HG2 ILE 10 HG22 ILE 10 11.890 -0.276 -0.345
67 3HG2 ILE 10 HG21 ILE 10 12.422 -1.948 -0.171
68 1HD1 ILE 10 HD13 ILE 10 12.739 1.299 0.869
69 2HD1 ILE 10 HD12 ILE 10 14.321 1.497 1.620
70 3HD1 ILE 10 HD11 ILE 10 14.165 0.590 0.116
71 H CYS 11 HN CYS 11 8.428 0.115 2.367
72 HA CYS 11 HA CYS 11 8.196 -1.073 5.038
73 1HB CYS 11 HB2 CYS 11 6.669 0.730 4.199
74 2HB CYS 11 HB1 CYS 11 6.019 -0.417 3.029
75 H SER 12 HN SER 12 7.010 -3.056 5.450
76 HA SER 12 HA SER 12 7.437 -5.072 3.315
77 1HB SER 12 HB2 SER 12 6.921 -6.688 5.204
78 2HB SER 12 HB1 SER 12 8.358 -5.700 5.445
79 HG SER 12 HG SER 12 5.757 -5.268 6.503
80 H LEU 13 HN LEU 13 5.726 -6.494 2.687
81 HA LEU 13 HA LEU 13 3.152 -5.251 2.421
82 1HB LEU 13 HB2 LEU 13 4.335 -7.047 0.942
83 2HB LEU 13 HB1 LEU 13 3.650 -8.210 2.071
84 HG LEU 13 HG LEU 13 2.238 -7.854 0.041
85 1HD1 LEU 13 HD11 LEU 13 1.444 -8.209 2.599
86 2HD1 LEU 13 HD13 LEU 13 0.574 -6.724 2.215
87 3HD1 LEU 13 HD12 LEU 13 0.326 -8.169 1.235
88 1HD2 LEU 13 HD23 LEU 13 2.870 -5.247 0.196
89 2HD2 LEU 13 HD22 LEU 13 1.388 -5.805 -0.579
90 3HD2 LEU 13 HD21 LEU 13 1.343 -5.202 1.078
91 H TYR 14 HN TYR 14 4.521 -7.433 4.799
92 HA TYR 14 HA TYR 14 2.237 -8.604 5.943
93 1HB TYR 14 HB2 TYR 14 4.657 -7.495 7.395
94 2HB TYR 14 HB1 TYR 14 3.507 -8.655 8.063
95 HD1 TYR 14 HD1 TYR 14 3.021 -10.705 6.324
96 HD2 TYR 14 HD2 TYR 14 6.627 -8.390 6.574
97 HE1 TYR 14 HE1 TYR 14 4.283 -12.563 5.268
98 HE2 TYR 14 HE2 TYR 14 7.894 -10.246 5.520
99 HH TYR 14 HH TYR 14 6.425 -12.792 3.922
100 H GLN 15 HN GLN 15 3.232 -5.251 6.039
101 HA GLN 15 HA GLN 15 1.385 -4.607 8.245
102 1HB GLN 15 HB2 GLN 15 3.242 -2.957 6.522
103 2HB GLN 15 HB1 GLN 15 2.119 -2.222 7.669
104 1HG GLN 15 HG2 GLN 15 3.894 -4.448 8.607
105 2HG GLN 15 HG1 GLN 15 4.578 -2.833 8.427
106 1HE2 GLN 15 HE22 GLN 15 3.030 -1.592 11.337
107 2HE2 GLN 15 HE21 GLN 15 4.120 -1.316 10.066
108 H LEU 16 HN LEU 16 1.634 -3.970 4.741
109 HA LEU 16 HA LEU 16 -0.780 -2.437 4.551
110 1HB LEU 16 HB2 LEU 16 1.110 -3.725 2.692
111 2HB LEU 16 HB1 LEU 16 -0.540 -3.624 2.078
112 HG LEU 16 HG LEU 16 0.889 -1.258 3.305
113 1HD1 LEU 16 HD13 LEU 16 1.071 -2.448 0.587
114 2HD1 LEU 16 HD12 LEU 16 0.867 -0.698 0.663
115 3HD1 LEU 16 HD11 LEU 16 2.239 -1.461 1.464
116 1HD2 LEU 16 HD23 LEU 16 -1.763 -1.798 2.154
117 2HD2 LEU 16 HD22 LEU 16 -1.234 -0.459 3.169
118 3HD2 LEU 16 HD21 LEU 16 -0.972 -0.399 1.428
119 H GLU 17 HN GLU 17 -0.296 -5.824 5.027
120 HA GLU 17 HA GLU 17 -2.518 -6.948 3.698
121 1HB GLU 17 HB2 GLU 17 -0.643 -8.091 5.091
122 2HB GLU 17 HB1 GLU 17 -1.720 -7.834 6.463
123 1HG GLU 17 HG2 GLU 17 -2.536 -9.875 5.800
124 2HG GLU 17 HG1 GLU 17 -3.497 -8.862 4.721
125 H ASN 18 HN ASN 18 -2.428 -4.884 6.509
126 HA ASN 18 HA ASN 18 -5.251 -5.519 7.172
127 1HB ASN 18 HB2 ASN 18 -3.036 -4.024 8.547
128 2HB ASN 18 HB1 ASN 18 -4.712 -3.702 8.996
129 1HD2 ASN 18 HD22 ASN 18 -2.981 -6.886 10.587
130 2HD2 ASN 18 HD21 ASN 18 -2.161 -5.534 9.969
131 H TYR 19 HN TYR 19 -4.724 -4.225 4.650
132 HA TYR 19 HA TYR 19 -5.851 -1.504 5.177
133 1HB TYR 19 HB2 TYR 19 -3.950 -2.538 3.106
134 2HB TYR 19 HB1 TYR 19 -5.008 -1.191 2.690
135 HD1 TYR 19 HD2 TYR 19 -3.022 -2.239 5.708
136 HD2 TYR 19 HD1 TYR 19 -4.023 0.896 2.946
137 HE1 TYR 19 HE2 TYR 19 -1.522 -0.685 6.927
138 HE2 TYR 19 HE1 TYR 19 -2.522 2.452 4.166
139 HH TYR 19 HH TYR 19 -1.632 2.432 6.833
140 H CYS 20 HN CYS 20 -6.782 -4.557 4.176
141 HA CYS 20 HA CYS 20 -8.554 -3.661 1.997
142 1HB CYS 20 HB2 CYS 20 -8.302 -6.365 3.344
143 2HB CYS 20 HB1 CYS 20 -9.225 -6.025 1.879
144 H ASN 21 HN ASN 21 -8.785 -3.089 5.156
145 HA ASN 21 HA ASN 21 -11.643 -3.902 5.388
146 1HB ASN 21 HB2 ASN 21 -11.334 -3.286 7.817
147 2HB ASN 21 HB1 ASN 21 -10.335 -4.636 7.280
148 1HD2 ASN 21 HD22 ASN 21 -7.724 -2.786 8.873
149 2HD2 ASN 21 HD21 ASN 21 -8.801 -4.085 9.059
150 1H PHE 1 HT2 PHE 1 7.003 -3.009 -4.142
151 2H PHE 1 HT1 PHE 1 5.750 -4.048 -3.667
152 3H PHE 1 HT3 PHE 1 5.443 -2.395 -3.876
153 HA PHE 1 HA PHE 1 6.831 -1.813 -2.035
154 1HB PHE 1 HB2 PHE 1 5.599 -3.136 -0.191
155 2HB PHE 1 HB1 PHE 1 4.624 -2.170 -1.293
156 HD1 PHE 1 HD2 PHE 1 5.847 -5.629 -0.623
157 HD2 PHE 1 HD1 PHE 1 2.969 -3.180 -2.664
158 HE1 PHE 1 HE2 PHE 1 4.558 -7.652 -1.246
159 HE2 PHE 1 HE1 PHE 1 1.687 -5.193 -3.280
160 HZ PHE 1 HZ PHE 1 2.473 -7.428 -2.573
161 H VAL 2 HN VAL 2 7.323 -5.059 -3.153
162 HA VAL 2 HA VAL 2 8.813 -6.087 -0.938
163 HB VAL 2 HB VAL 2 9.789 -7.659 -2.592
164 1HG1 VAL 2 HG12 VAL 2 6.866 -7.064 -2.462
165 2HG1 VAL 2 HG11 VAL 2 7.404 -8.252 -3.651
166 3HG1 VAL 2 HG13 VAL 2 7.744 -8.501 -1.938
167 1HG2 VAL 2 HG21 VAL 2 10.067 -6.032 -4.445
168 2HG2 VAL 2 HG23 VAL 2 9.164 -7.454 -4.967
169 3HG2 VAL 2 HG22 VAL 2 8.316 -5.945 -4.624
170 H ASN 3 HN ASN 3 9.633 -3.889 -3.544
171 HA ASN 3 HA ASN 3 12.234 -3.364 -2.215
172 1HB ASN 3 HB2 ASN 3 11.846 -4.464 -4.945
173 2HB ASN 3 HB1 ASN 3 12.995 -3.132 -4.815
174 1HD2 ASN 3 HD22 ASN 3 14.567 -6.546 -4.026
175 2HD2 ASN 3 HD21 ASN 3 13.492 -6.100 -5.262
176 H GLN 4 HN GLN 4 9.632 -1.962 -2.431
177 HA GLN 4 HA GLN 4 10.633 0.556 -3.691
178 1HB GLN 4 HB2 GLN 4 7.794 -0.521 -3.766
179 2HB GLN 4 HB1 GLN 4 8.296 1.057 -4.370
180 1HG GLN 4 HG2 GLN 4 9.893 -1.204 -5.404
181 2HG GLN 4 HG1 GLN 4 8.200 -1.224 -5.894
182 1HE2 GLN 4 HE22 GLN 4 8.922 1.112 -8.424
183 2HE2 GLN 4 HE21 GLN 4 8.166 -0.342 -7.980
184 H HIS 5 HN HIS 5 8.979 2.405 -2.825
185 HA HIS 5 HA HIS 5 8.912 2.031 0.139
186 1HB HIS 5 HB2 HIS 5 9.152 4.560 -1.522
187 2HB HIS 5 HB1 HIS 5 9.026 4.526 0.239
188 HD1 HIS 5 HD1 HIS 5 11.350 5.012 1.067
189 HD2 HIS 5 HD2 HIS 5 11.357 2.244 -2.028
190 HE1 HIS 5 HE1 HIS 5 13.720 4.123 0.889
191 H LEU 6 HN LEU 6 7.067 2.746 1.289
192 HA LEU 6 HA LEU 6 4.582 2.689 -0.314
193 1HB LEU 6 HB2 LEU 6 5.359 1.644 2.182
194 2HB LEU 6 HB1 LEU 6 4.205 2.918 2.562
195 HG LEU 6 HG LEU 6 2.711 1.882 0.757
196 1HD1 LEU 6 HD11 LEU 6 4.697 0.481 -0.114
197 2HD1 LEU 6 HD13 LEU 6 4.390 -0.573 1.265
198 3HD1 LEU 6 HD12 LEU 6 3.141 -0.338 0.040
199 1HD2 LEU 6 HD22 LEU 6 2.676 1.615 3.373
200 2HD2 LEU 6 HD21 LEU 6 1.670 0.556 2.385
201 3HD2 LEU 6 HD23 LEU 6 3.205 -0.031 3.023
202 H CYS 7 HN CYS 7 4.250 4.750 -1.137
203 HA CYS 7 HA CYS 7 3.139 6.761 0.523
204 1HB CYS 7 HB2 CYS 7 5.855 6.785 0.851
205 2HB CYS 7 HB1 CYS 7 5.675 7.915 -0.489
206 H GLY 8 HN GLY 8 2.131 8.328 -0.757
207 1HA GLY 8 HA2 GLY 8 1.552 9.504 -2.728
208 2HA GLY 8 HA1 GLY 8 2.955 8.790 -3.525
209 H SER 9 HN SER 9 2.482 7.326 -5.081
210 HA SER 9 HA SER 9 -0.247 6.140 -5.133
211 1HB SER 9 HB2 SER 9 1.653 5.636 -7.359
212 2HB SER 9 HB1 SER 9 -0.061 6.033 -7.406
213 HG SER 9 HG SER 9 0.440 8.163 -7.041
214 H HIS 10 HN HIS 10 3.058 5.264 -4.476
215 HA HIS 10 HA HIS 10 3.035 2.506 -5.155
216 1HB HIS 10 HB2 HIS 10 4.425 4.067 -2.984
217 2HB HIS 10 HB1 HIS 10 4.621 2.321 -3.121
218 HD1 HIS 10 HD1 HIS 10 6.588 4.957 -3.902
219 HD2 HIS 10 HD2 HIS 10 4.929 2.039 -6.375
220 HE1 HIS 10 HE1 HIS 10 8.012 4.899 -5.997
221 H LEU 11 HN LEU 11 1.489 4.233 -2.536
222 HA LEU 11 HA LEU 11 0.905 1.997 -0.836
223 1HB LEU 11 HB2 LEU 11 0.612 4.606 -0.471
224 2HB LEU 11 HB1 LEU 11 -0.988 4.320 -1.150
225 HG LEU 11 HG LEU 11 -1.041 4.190 1.310
226 1HD1 LEU 11 HD12 LEU 11 -2.371 2.597 -0.289
227 2HD1 LEU 11 HD11 LEU 11 -1.313 1.350 0.369
228 3HD1 LEU 11 HD13 LEU 11 -2.363 2.271 1.445
229 1HD2 LEU 11 HD22 LEU 11 1.407 3.315 1.355
230 2HD2 LEU 11 HD21 LEU 11 0.278 2.697 2.563
231 3HD2 LEU 11 HD23 LEU 11 0.677 1.724 1.147
232 H VAL 12 HN VAL 12 -1.214 3.724 -3.129
233 HA VAL 12 HA VAL 12 -3.389 1.963 -3.133
234 HB VAL 12 HB VAL 12 -2.329 3.480 -5.537
235 1HG1 VAL 12 HG13 VAL 12 -5.082 2.481 -4.724
236 2HG1 VAL 12 HG12 VAL 12 -4.796 3.606 -6.056
237 3HG1 VAL 12 HG11 VAL 12 -4.137 1.972 -6.126
238 1HG2 VAL 12 HG22 VAL 12 -3.587 4.353 -2.992
239 2HG2 VAL 12 HG21 VAL 12 -2.528 5.240 -4.090
240 3HG2 VAL 12 HG23 VAL 12 -4.245 5.073 -4.462
241 H GLU 13 HN GLU 13 -0.550 1.830 -5.307
242 HA GLU 13 HA GLU 13 -1.373 -0.383 -6.863
243 1HB GLU 13 HB2 GLU 13 1.317 0.746 -6.127
244 2HB GLU 13 HB1 GLU 13 1.204 -0.743 -7.067
245 1HG GLU 13 HG2 GLU 13 0.360 0.326 -8.915
246 2HG GLU 13 HG1 GLU 13 -0.506 1.525 -7.955
247 H ALA 14 HN ALA 14 0.080 -0.257 -3.664
248 HA ALA 14 HA ALA 14 0.673 -3.109 -3.584
249 1HB ALA 14 HB2 ALA 14 1.743 -1.161 -2.195
250 2HB ALA 14 HB1 ALA 14 0.358 -1.405 -1.131
251 3HB ALA 14 HB3 ALA 14 1.484 -2.732 -1.426
252 H LEU 15 HN LEU 15 -2.075 -1.078 -2.780
253 HA LEU 15 HA LEU 15 -3.428 -3.024 -1.109
254 1HB LEU 15 HB2 LEU 15 -4.735 -0.849 -2.771
255 2HB LEU 15 HB1 LEU 15 -5.378 -1.618 -1.322
256 HG LEU 15 HG LEU 15 -2.873 0.076 -1.418
257 1HD1 LEU 15 HD12 LEU 15 -5.640 0.682 -0.363
258 2HD1 LEU 15 HD11 LEU 15 -4.225 1.713 -0.152
259 3HD1 LEU 15 HD13 LEU 15 -4.877 1.430 -1.767
260 1HD2 LEU 15 HD21 LEU 15 -4.309 -1.425 0.755
261 2HD2 LEU 15 HD23 LEU 15 -2.584 -1.396 0.386
262 3HD2 LEU 15 HD22 LEU 15 -3.350 0.006 1.137
263 H GLU 16 HN GLU 16 -3.423 -2.282 -4.566
264 HA GLU 16 HA GLU 16 -5.518 -4.209 -5.212
265 1HB GLU 16 HB2 GLU 16 -4.410 -2.101 -6.556
266 2HB GLU 16 HB1 GLU 16 -3.570 -3.453 -7.322
267 1HG GLU 16 HG2 GLU 16 -5.945 -4.519 -7.485
268 2HG GLU 16 HG1 GLU 16 -6.525 -2.873 -7.232
269 H LEU 17 HN LEU 17 -2.011 -4.162 -5.093
270 HA LEU 17 HA LEU 17 -1.557 -6.666 -6.401
271 1HB LEU 17 HB2 LEU 17 -0.030 -4.617 -5.045
272 2HB LEU 17 HB1 LEU 17 0.473 -6.181 -4.444
273 HG LEU 17 HG LEU 17 1.240 -4.852 -6.861
274 1HD1 LEU 17 HD13 LEU 17 2.696 -6.086 -5.321
275 2HD1 LEU 17 HD12 LEU 17 1.929 -7.601 -5.807
276 3HD1 LEU 17 HD11 LEU 17 2.869 -6.673 -6.977
277 1HD2 LEU 17 HD21 LEU 17 -0.604 -6.020 -8.025
278 2HD2 LEU 17 HD23 LEU 17 0.970 -6.635 -8.537
279 3HD2 LEU 17 HD22 LEU 17 -0.013 -7.565 -7.406
280 H VAL 18 HN VAL 18 -2.379 -5.772 -3.114
281 HA VAL 18 HA VAL 18 -1.853 -8.480 -2.087
282 HB VAL 18 HB VAL 18 -3.206 -6.138 -0.709
283 1HG1 VAL 18 HG13 VAL 18 -3.479 -8.507 0.212
284 2HG1 VAL 18 HG12 VAL 18 -1.738 -8.489 0.502
285 3HG1 VAL 18 HG11 VAL 18 -2.781 -7.325 1.320
286 1HG2 VAL 18 HG21 VAL 18 -0.662 -6.062 -1.640
287 2HG2 VAL 18 HG23 VAL 18 -1.150 -5.295 -0.130
288 3HG2 VAL 18 HG22 VAL 18 -0.391 -6.886 -0.109
289 H CYS 19 HN CYS 19 -4.777 -6.418 -1.866
290 HA CYS 19 HA CYS 19 -6.457 -8.842 -1.939
291 1HB CYS 19 HB2 CYS 19 -6.930 -5.928 -1.367
292 2HB CYS 19 HB1 CYS 19 -8.294 -6.978 -1.746
293 H GLY 20 HN GLY 20 -6.805 -5.685 -3.583
294 1HA GLY 20 HA2 GLY 20 -7.101 -5.234 -5.887
295 2HA GLY 20 HA1 GLY 20 -6.859 -6.948 -6.222
296 H GLU 21 HN GLU 21 -9.218 -5.596 -3.953
297 HA GLU 21 HA GLU 21 -11.359 -7.066 -5.345
298 1HB GLU 21 HB2 GLU 21 -10.898 -6.522 -2.698
299 2HB GLU 21 HB1 GLU 21 -12.080 -5.277 -3.099
300 1HG GLU 21 HG2 GLU 21 -13.748 -6.807 -3.539
301 2HG GLU 21 HG1 GLU 21 -12.614 -8.049 -4.072
302 H ARG 22 HN ARG 22 -13.548 -5.698 -5.416
303 HA ARG 22 HA ARG 22 -13.002 -3.447 -7.220
304 1HB ARG 22 HB2 ARG 22 -15.353 -5.109 -6.481
305 2HB ARG 22 HB1 ARG 22 -15.701 -3.452 -6.971
306 1HG ARG 22 HG2 ARG 22 -15.009 -3.799 -9.129
307 2HG ARG 22 HG1 ARG 22 -13.754 -4.944 -8.652
308 1HD ARG 22 HD2 ARG 22 -15.275 -6.381 -9.664
309 2HD ARG 22 HD1 ARG 22 -15.822 -6.453 -7.990
310 HE ARG 22 HE ARG 22 -17.272 -4.353 -9.064
311 1HH1 ARG 22 HH21 ARG 22 -16.779 -7.706 -9.935
312 2HH1 ARG 22 HH22 ARG 22 -18.342 -7.851 -10.660
313 1HH2 ARG 22 HH11 ARG 22 -19.284 -4.587 -10.010
314 2HH2 ARG 22 HH12 ARG 22 -19.749 -6.105 -10.701
315 H GLY 23 HN GLY 23 -12.007 -2.065 -5.550
316 1HA GLY 23 HA2 GLY 23 -12.173 -0.139 -4.207
317 2HA GLY 23 HA1 GLY 23 -13.928 -0.227 -4.384
318 H GLY 24 HN GLY 24 -11.320 -2.131 -2.827
319 1HA GLY 24 HA2 GLY 24 -13.073 -2.310 -0.408
320 2HA GLY 24 HA1 GLY 24 -12.147 -3.697 -0.981
321 H PHE 25 HN PHE 25 -10.675 -0.548 -1.235
322 HA PHE 25 HA PHE 25 -9.276 -0.819 1.343
323 1HB PHE 25 HB2 PHE 25 -7.022 -0.665 0.171
324 2HB PHE 25 HB1 PHE 25 -7.839 -2.216 0.030
325 HD1 PHE 25 HD2 PHE 25 -7.416 1.060 -1.765
326 HD2 PHE 25 HD1 PHE 25 -8.229 -3.151 -2.072
327 HE1 PHE 25 HE2 PHE 25 -7.339 1.223 -4.236
328 HE2 PHE 25 HE1 PHE 25 -8.142 -2.987 -4.543
329 HZ PHE 25 HZ PHE 25 -7.700 -0.800 -5.625
330 H TYR 26 HN TYR 26 -7.334 1.028 1.115
331 HA TYR 26 HA TYR 26 -8.586 3.518 1.297
332 1HB TYR 26 HB2 TYR 26 -6.392 3.299 2.179
333 2HB TYR 26 HB1 TYR 26 -5.747 2.708 0.661
334 HD1 TYR 26 HD2 TYR 26 -7.943 5.694 1.216
335 HD2 TYR 26 HD1 TYR 26 -4.036 4.238 0.171
336 HE1 TYR 26 HE2 TYR 26 -7.251 7.994 0.598
337 HE2 TYR 26 HE1 TYR 26 -3.346 6.540 -0.447
338 HH TYR 26 HH TYR 26 -4.444 8.654 -1.170
339 H THR 27 HN THR 27 -9.946 4.175 -0.327
340 HA THR 27 HA THR 27 -8.721 4.644 -3.012
341 HB THR 27 HB THR 27 -11.268 4.278 -3.734
342 HG1 THR 27 HG1 THR 27 -12.343 2.985 -2.423
343 1HG2 THR 27 HG21 THR 27 -8.991 2.960 -4.194
344 2HG2 THR 27 HG23 THR 27 -9.789 1.744 -3.196
345 3HG2 THR 27 HG22 THR 27 -10.555 2.304 -4.682
346 HA PRO 28 HA PRO 28 -10.192 8.655 -1.256
347 1HB PRO 28 HB2 PRO 28 -8.617 9.911 -3.340
348 2HB PRO 28 HB1 PRO 28 -8.371 9.964 -1.589
349 1HG PRO 28 HG2 PRO 28 -6.819 8.526 -3.510
350 2HG PRO 28 HG1 PRO 28 -6.642 8.506 -1.751
351 1HD PRO 28 HD2 PRO 28 -7.656 6.412 -3.450
352 2HD PRO 28 HD1 PRO 28 -7.449 6.388 -1.691
353 H LYS 29 HN LYS 29 -12.297 8.774 -1.977
354 HA LYS 29 HA LYS 29 -12.779 9.897 -4.642
355 1HB LYS 29 HB2 LYS 29 -14.427 8.108 -5.248
356 2HB LYS 29 HB1 LYS 29 -12.764 7.526 -5.201
357 1HG LYS 29 HG2 LYS 29 -13.622 5.884 -3.878
358 2HG LYS 29 HG1 LYS 29 -13.526 7.104 -2.610
359 1HD LYS 29 HD2 LYS 29 -15.757 6.243 -2.531
360 2HD LYS 29 HD1 LYS 29 -15.870 7.827 -3.298
361 1HE LYS 29 HE2 LYS 29 -17.188 6.106 -4.516
362 2HE LYS 29 HE1 LYS 29 -15.902 6.784 -5.514
363 1HZ LYS 29 HZ2 LYS 29 -15.441 4.351 -3.913
364 2HZ LYS 29 HZ1 LYS 29 -16.184 4.253 -5.437
365 3HZ LYS 29 HZ3 LYS 29 -14.618 4.889 -5.299
No H/Q in entry = 365
Start of MODEL 8
1 1H GLY 1 HT1 GLY 1 0.230 9.149 8.592
2 2H GLY 1 HT3 GLY 1 -1.349 8.880 9.150
3 3H GLY 1 HT2 GLY 1 -0.317 9.929 9.998
4 1HA GLY 1 HA2 GLY 1 1.138 8.105 10.579
5 2HA GLY 1 HA1 GLY 1 -0.509 7.799 11.131
6 H ILE 2 HN ILE 2 -1.806 6.953 8.889
7 HA ILE 2 HA ILE 2 -0.921 4.248 8.593
8 HB ILE 2 HB ILE 2 -3.284 5.123 8.295
9 1HG1 ILE 2 HG12 ILE 2 -2.785 3.636 5.793
10 2HG1 ILE 2 HG11 ILE 2 -2.042 2.918 7.221
11 1HG2 ILE 2 HG21 ILE 2 -2.612 7.017 6.771
12 2HG2 ILE 2 HG23 ILE 2 -2.339 5.822 5.504
13 3HG2 ILE 2 HG22 ILE 2 -3.955 6.046 6.171
14 1HD1 ILE 2 HD11 ILE 2 -4.960 3.717 6.998
15 2HD1 ILE 2 HD13 ILE 2 -4.347 2.069 6.860
16 3HD1 ILE 2 HD12 ILE 2 -4.200 2.939 8.387
17 H VAL 3 HN VAL 3 -0.567 7.105 6.505
18 HA VAL 3 HA VAL 3 1.036 5.575 4.548
19 HB VAL 3 HB VAL 3 0.527 8.564 4.644
20 1HG1 VAL 3 HG13 VAL 3 1.511 6.619 2.554
21 2HG1 VAL 3 HG12 VAL 3 0.860 8.200 2.119
22 3HG1 VAL 3 HG11 VAL 3 2.297 8.086 3.135
23 1HG2 VAL 3 HG23 VAL 3 -1.068 6.338 3.338
24 2HG2 VAL 3 HG22 VAL 3 -1.628 7.443 4.595
25 3HG2 VAL 3 HG21 VAL 3 -1.282 8.051 2.977
26 H GLU 4 HN GLU 4 1.472 7.839 7.198
27 HA GLU 4 HA GLU 4 4.245 8.434 6.651
28 1HB GLU 4 HB2 GLU 4 2.540 9.649 8.229
29 2HB GLU 4 HB1 GLU 4 3.083 8.469 9.422
30 1HG GLU 4 HG2 GLU 4 5.485 9.203 8.600
31 2HG GLU 4 HG1 GLU 4 4.633 10.659 8.088
32 H GLN 5 HN GLN 5 2.718 5.575 7.727
33 HA GLN 5 HA GLN 5 4.445 4.513 9.662
34 1HB GLN 5 HB2 GLN 5 2.319 3.538 8.324
35 2HB GLN 5 HB1 GLN 5 3.605 2.686 7.467
36 1HG GLN 5 HG2 GLN 5 3.184 1.223 9.235
37 2HG GLN 5 HG1 GLN 5 4.503 2.192 9.890
38 1HE2 GLN 5 HE22 GLN 5 0.752 2.545 11.481
39 2HE2 GLN 5 HE21 GLN 5 0.990 1.669 10.047
40 H CYS 6 HN CYS 6 4.732 3.759 6.147
41 HA CYS 6 HA CYS 6 7.690 3.818 6.536
42 1HB CYS 6 HB2 CYS 6 5.967 1.653 5.425
43 2HB CYS 6 HB1 CYS 6 7.542 1.918 4.676
44 H CYS 7 HN CYS 7 6.025 5.933 5.463
45 HA CYS 7 HA CYS 7 5.865 6.030 2.639
46 1HB CYS 7 HB2 CYS 7 4.907 7.785 4.053
47 2HB CYS 7 HB1 CYS 7 6.508 8.245 4.619
48 H THR 8 HN THR 8 8.571 7.205 4.690
49 HA THR 8 HA THR 8 10.321 7.269 2.302
50 HB THR 8 HB THR 8 11.142 7.968 5.123
51 HG1 THR 8 HG1 THR 8 9.924 9.659 5.038
52 1HG2 THR 8 HG23 THR 8 12.636 7.806 2.915
53 2HG2 THR 8 HG22 THR 8 11.990 9.426 2.661
54 3HG2 THR 8 HG21 THR 8 12.906 9.061 4.122
55 H SER 9 HN SER 9 9.599 4.699 2.821
56 HA SER 9 HA SER 9 12.098 3.357 3.172
57 1HB SER 9 HB2 SER 9 10.348 3.636 5.581
58 2HB SER 9 HB1 SER 9 11.121 2.076 5.310
59 HG SER 9 HG SER 9 12.198 4.167 6.395
60 H ILE 10 HN ILE 10 11.771 0.951 3.084
61 HA ILE 10 HA ILE 10 9.236 0.363 1.632
62 HB ILE 10 HB ILE 10 11.717 -1.369 1.644
63 1HG1 ILE 10 HG12 ILE 10 11.049 0.847 -0.321
64 2HG1 ILE 10 HG11 ILE 10 12.273 0.987 0.939
65 1HG2 ILE 10 HG23 ILE 10 9.426 -2.149 0.773
66 2HG2 ILE 10 HG22 ILE 10 9.642 -0.961 -0.513
67 3HG2 ILE 10 HG21 ILE 10 10.785 -2.294 -0.343
68 1HD1 ILE 10 HD11 ILE 10 12.287 -1.192 -1.159
69 2HD1 ILE 10 HD13 ILE 10 13.171 0.324 -1.324
70 3HD1 ILE 10 HD12 ILE 10 13.573 -0.794 -0.021
71 H CYS 11 HN CYS 11 7.978 0.026 3.528
72 HA CYS 11 HA CYS 11 8.665 -1.688 5.687
73 1HB CYS 11 HB2 CYS 11 6.338 -0.248 4.754
74 2HB CYS 11 HB1 CYS 11 5.850 -1.855 5.289
75 H SER 12 HN SER 12 7.053 -3.712 6.072
76 HA SER 12 HA SER 12 7.744 -5.614 3.914
77 1HB SER 12 HB2 SER 12 6.355 -6.379 6.467
78 2HB SER 12 HB1 SER 12 7.493 -7.314 5.501
79 HG SER 12 HG SER 12 8.012 -5.828 7.600
80 H LEU 13 HN LEU 13 6.035 -7.267 3.334
81 HA LEU 13 HA LEU 13 3.685 -5.948 2.352
82 1HB LEU 13 HB2 LEU 13 4.766 -7.952 1.296
83 2HB LEU 13 HB1 LEU 13 4.190 -8.929 2.636
84 HG LEU 13 HG LEU 13 2.796 -8.966 0.481
85 1HD1 LEU 13 HD13 LEU 13 2.096 -9.266 3.122
86 2HD1 LEU 13 HD12 LEU 13 0.899 -8.102 2.553
87 3HD1 LEU 13 HD11 LEU 13 1.063 -9.663 1.747
88 1HD2 LEU 13 HD21 LEU 13 2.937 -6.310 0.452
89 2HD2 LEU 13 HD23 LEU 13 1.511 -7.148 -0.163
90 3HD2 LEU 13 HD22 LEU 13 1.495 -6.451 1.456
91 H TYR 14 HN TYR 14 4.328 -7.868 5.243
92 HA TYR 14 HA TYR 14 1.644 -8.412 5.985
93 1HB TYR 14 HB2 TYR 14 2.635 -9.406 7.757
94 2HB TYR 14 HB1 TYR 14 4.168 -8.898 7.071
95 HD1 TYR 14 HD1 TYR 14 1.544 -8.070 9.551
96 HD2 TYR 14 HD2 TYR 14 5.461 -7.124 8.078
97 HE1 TYR 14 HE1 TYR 14 1.951 -6.661 11.550
98 HE2 TYR 14 HE2 TYR 14 5.872 -5.714 10.075
99 HH TYR 14 HH TYR 14 4.214 -5.889 12.820
100 H GLN 15 HN GLN 15 3.479 -5.444 6.140
101 HA GLN 15 HA GLN 15 1.816 -4.065 8.043
102 1HB GLN 15 HB2 GLN 15 4.155 -3.410 7.103
103 2HB GLN 15 HB1 GLN 15 3.245 -2.686 5.776
104 1HG GLN 15 HG2 GLN 15 3.263 -0.872 7.189
105 2HG GLN 15 HG1 GLN 15 1.840 -1.686 7.840
106 1HE2 GLN 15 HE22 GLN 15 4.915 -1.097 10.281
107 2HE2 GLN 15 HE21 GLN 15 4.651 -0.239 8.840
108 H LEU 16 HN LEU 16 1.844 -4.063 4.461
109 HA LEU 16 HA LEU 16 -0.473 -2.392 4.178
110 1HB LEU 16 HB2 LEU 16 1.110 -4.183 2.403
111 2HB LEU 16 HB1 LEU 16 -0.533 -3.808 1.887
112 HG LEU 16 HG LEU 16 1.522 -1.727 2.682
113 1HD1 LEU 16 HD12 LEU 16 0.664 -2.820 -0.002
114 2HD1 LEU 16 HD11 LEU 16 1.413 -1.232 0.167
115 3HD1 LEU 16 HD13 LEU 16 2.300 -2.680 0.645
116 1HD2 LEU 16 HD22 LEU 16 -1.355 -1.671 2.189
117 2HD2 LEU 16 HD21 LEU 16 -0.304 -0.394 2.800
118 3HD2 LEU 16 HD23 LEU 16 -0.496 -0.620 1.063
119 H GLU 17 HN GLU 17 -0.157 -5.707 5.107
120 HA GLU 17 HA GLU 17 -2.563 -6.811 4.093
121 1HB GLU 17 HB2 GLU 17 -0.547 -7.800 5.578
122 2HB GLU 17 HB1 GLU 17 -1.749 -7.572 6.851
123 1HG GLU 17 HG2 GLU 17 -2.447 -9.642 6.163
124 2HG GLU 17 HG1 GLU 17 -3.311 -8.698 4.949
125 H ASN 18 HN ASN 18 -2.098 -4.394 6.540
126 HA ASN 18 HA ASN 18 -4.821 -4.824 7.636
127 1HB ASN 18 HB2 ASN 18 -2.591 -2.923 8.414
128 2HB ASN 18 HB1 ASN 18 -4.162 -2.989 9.214
129 1HD2 ASN 18 HD22 ASN 18 -1.617 -5.285 10.897
130 2HD2 ASN 18 HD21 ASN 18 -1.499 -3.669 10.394
131 H TYR 19 HN TYR 19 -4.381 -3.874 4.857
132 HA TYR 19 HA TYR 19 -5.593 -1.148 5.076
133 1HB TYR 19 HB2 TYR 19 -3.764 -2.397 3.051
134 2HB TYR 19 HB1 TYR 19 -4.883 -1.136 2.540
135 HD1 TYR 19 HD2 TYR 19 -2.762 -1.692 5.600
136 HD2 TYR 19 HD1 TYR 19 -3.859 0.935 2.385
137 HE1 TYR 19 HE2 TYR 19 -1.218 0.041 6.486
138 HE2 TYR 19 HE1 TYR 19 -2.318 2.662 3.269
139 HH TYR 19 HH TYR 19 0.073 2.223 5.089
140 H CYS 20 HN CYS 20 -6.164 -4.416 4.137
141 HA CYS 20 HA CYS 20 -8.149 -3.906 2.096
142 1HB CYS 20 HB2 CYS 20 -7.259 -6.273 3.693
143 2HB CYS 20 HB1 CYS 20 -8.809 -6.357 2.855
144 H ASN 21 HN ASN 21 -8.180 -3.833 5.545
145 HA ASN 21 HA ASN 21 -11.017 -4.327 5.891
146 1HB ASN 21 HB2 ASN 21 -10.624 -3.333 8.172
147 2HB ASN 21 HB1 ASN 21 -9.540 -4.670 7.783
148 1HD2 ASN 21 HD22 ASN 21 -6.985 -2.432 8.867
149 2HD2 ASN 21 HD21 ASN 21 -7.908 -3.790 9.294
150 1H PHE 1 HT1 PHE 1 7.160 -5.456 1.988
151 2H PHE 1 HT3 PHE 1 7.238 -4.032 1.068
152 3H PHE 1 HT2 PHE 1 5.806 -4.437 1.885
153 HA PHE 1 HA PHE 1 5.453 -6.322 0.481
154 1HB PHE 1 HB2 PHE 1 4.982 -3.802 -0.202
155 2HB PHE 1 HB1 PHE 1 6.177 -4.145 -1.448
156 HD1 PHE 1 HD2 PHE 1 5.367 -7.212 -1.646
157 HD2 PHE 1 HD1 PHE 1 3.149 -3.535 -1.763
158 HE1 PHE 1 HE2 PHE 1 3.629 -8.308 -3.011
159 HE2 PHE 1 HE1 PHE 1 1.398 -4.641 -3.122
160 HZ PHE 1 HZ PHE 1 1.641 -7.024 -3.747
161 H VAL 2 HN VAL 2 6.773 -5.795 -2.368
162 HA VAL 2 HA VAL 2 8.884 -7.775 -1.948
163 HB VAL 2 HB VAL 2 8.108 -6.369 -4.522
164 1HG1 VAL 2 HG12 VAL 2 10.264 -7.918 -4.058
165 2HG1 VAL 2 HG11 VAL 2 9.077 -9.180 -4.386
166 3HG1 VAL 2 HG13 VAL 2 9.399 -7.937 -5.595
167 1HG2 VAL 2 HG22 VAL 2 6.899 -8.736 -3.086
168 2HG2 VAL 2 HG21 VAL 2 6.072 -7.356 -3.809
169 3HG2 VAL 2 HG23 VAL 2 6.796 -8.593 -4.839
170 H ASN 3 HN ASN 3 8.907 -4.714 -3.821
171 HA ASN 3 HA ASN 3 11.288 -3.800 -2.358
172 1HB ASN 3 HB2 ASN 3 11.409 -4.396 -5.329
173 2HB ASN 3 HB1 ASN 3 12.679 -3.616 -4.387
174 1HD2 ASN 3 HD22 ASN 3 13.560 -6.671 -2.651
175 2HD2 ASN 3 HD21 ASN 3 13.444 -4.995 -2.405
176 H GLN 4 HN GLN 4 8.458 -2.913 -3.082
177 HA GLN 4 HA GLN 4 9.198 -0.329 -4.394
178 1HB GLN 4 HB2 GLN 4 6.858 -2.121 -4.675
179 2HB GLN 4 HB1 GLN 4 6.468 -0.406 -4.555
180 1HG GLN 4 HG2 GLN 4 8.720 -1.146 -6.360
181 2HG GLN 4 HG1 GLN 4 7.094 -1.568 -6.900
182 1HE2 GLN 4 HE22 GLN 4 6.978 1.747 -8.178
183 2HE2 GLN 4 HE21 GLN 4 7.078 0.098 -8.571
184 H HIS 5 HN HIS 5 8.618 1.571 -3.352
185 HA HIS 5 HA HIS 5 8.219 1.442 -0.497
186 1HB HIS 5 HB2 HIS 5 8.335 3.667 -2.520
187 2HB HIS 5 HB1 HIS 5 7.896 3.999 -0.842
188 HD1 HIS 5 HD1 HIS 5 10.743 2.669 -2.945
189 HD2 HIS 5 HD2 HIS 5 10.021 3.771 1.001
190 HE1 HIS 5 HE1 HIS 5 12.984 2.638 -1.762
191 H LEU 6 HN LEU 6 6.387 3.140 0.355
192 HA LEU 6 HA LEU 6 3.826 2.357 -0.979
193 1HB LEU 6 HB2 LEU 6 4.294 2.458 2.011
194 2HB LEU 6 HB1 LEU 6 2.829 1.922 1.187
195 HG LEU 6 HG LEU 6 5.533 0.607 0.825
196 1HD1 LEU 6 HD13 LEU 6 4.398 0.550 3.183
197 2HD1 LEU 6 HD12 LEU 6 3.251 -0.551 2.411
198 3HD1 LEU 6 HD11 LEU 6 4.966 -0.964 2.470
199 1HD2 LEU 6 HD21 LEU 6 2.765 0.189 -0.210
200 2HD2 LEU 6 HD23 LEU 6 4.314 -0.093 -1.005
201 3HD2 LEU 6 HD22 LEU 6 3.702 -1.255 0.175
202 H CYS 7 HN CYS 7 5.089 4.888 -1.353
203 HA CYS 7 HA CYS 7 3.153 6.625 0.119
204 1HB CYS 7 HB2 CYS 7 5.874 6.763 0.458
205 2HB CYS 7 HB1 CYS 7 5.627 7.942 -0.830
206 H GLY 8 HN GLY 8 2.056 8.122 -1.131
207 1HA GLY 8 HA2 GLY 8 1.483 9.350 -3.092
208 2HA GLY 8 HA1 GLY 8 2.854 8.608 -3.924
209 H SER 9 HN SER 9 1.698 7.846 -5.734
210 HA SER 9 HA SER 9 -0.770 6.332 -5.445
211 1HB SER 9 HB2 SER 9 0.882 6.007 -7.896
212 2HB SER 9 HB1 SER 9 -0.844 6.317 -7.733
213 HG SER 9 HG SER 9 -0.427 8.446 -7.382
214 H HIS 10 HN HIS 10 2.562 5.537 -5.057
215 HA HIS 10 HA HIS 10 2.600 2.825 -5.935
216 1HB HIS 10 HB2 HIS 10 4.055 4.105 -3.598
217 2HB HIS 10 HB1 HIS 10 4.460 2.544 -4.316
218 HD1 HIS 10 HD1 HIS 10 6.378 5.082 -4.333
219 HD2 HIS 10 HD2 HIS 10 3.963 3.851 -7.499
220 HE1 HIS 10 HE1 HIS 10 7.408 6.046 -6.436
221 H LEU 11 HN LEU 11 1.527 4.323 -2.920
222 HA LEU 11 HA LEU 11 1.085 1.938 -1.421
223 1HB LEU 11 HB2 LEU 11 0.942 4.514 -0.766
224 2HB LEU 11 HB1 LEU 11 -0.759 4.259 -1.110
225 HG LEU 11 HG LEU 11 0.847 2.545 0.742
226 1HD1 LEU 11 HD13 LEU 11 0.506 4.921 1.525
227 2HD1 LEU 11 HD12 LEU 11 -1.229 4.618 1.456
228 3HD1 LEU 11 HD11 LEU 11 -0.217 3.698 2.569
229 1HD2 LEU 11 HD23 LEU 11 -2.082 2.692 0.036
230 2HD2 LEU 11 HD22 LEU 11 -0.999 1.313 -0.154
231 3HD2 LEU 11 HD21 LEU 11 -1.485 1.837 1.459
232 H VAL 12 HN VAL 12 -1.326 3.918 -3.188
233 HA VAL 12 HA VAL 12 -3.546 2.247 -2.927
234 HB VAL 12 HB VAL 12 -2.846 3.727 -5.475
235 1HG1 VAL 12 HG13 VAL 12 -5.365 2.681 -4.191
236 2HG1 VAL 12 HG12 VAL 12 -5.435 4.060 -5.291
237 3HG1 VAL 12 HG11 VAL 12 -4.819 2.509 -5.860
238 1HG2 VAL 12 HG23 VAL 12 -3.545 4.683 -2.749
239 2HG2 VAL 12 HG22 VAL 12 -2.656 5.500 -4.035
240 3HG2 VAL 12 HG21 VAL 12 -4.418 5.441 -4.079
241 H GLU 13 HN GLU 13 -1.157 2.092 -5.596
242 HA GLU 13 HA GLU 13 -2.301 -0.119 -6.955
243 1HB GLU 13 HB2 GLU 13 0.419 1.112 -6.823
244 2HB GLU 13 HB1 GLU 13 0.275 -0.488 -7.551
245 1HG GLU 13 HG2 GLU 13 -1.504 0.380 -9.056
246 2HG GLU 13 HG1 GLU 13 -1.279 1.987 -8.361
247 H ALA 14 HN ALA 14 -0.158 0.002 -4.159
248 HA ALA 14 HA ALA 14 0.463 -2.818 -4.128
249 1HB ALA 14 HB3 ALA 14 1.474 -0.686 -2.813
250 2HB ALA 14 HB2 ALA 14 0.410 -1.325 -1.559
251 3HB ALA 14 HB1 ALA 14 1.674 -2.344 -2.248
252 H LEU 15 HN LEU 15 -2.171 -0.871 -2.858
253 HA LEU 15 HA LEU 15 -3.237 -2.886 -1.083
254 1HB LEU 15 HB2 LEU 15 -4.828 -0.706 -2.455
255 2HB LEU 15 HB1 LEU 15 -5.192 -1.502 -0.925
256 HG LEU 15 HG LEU 15 -2.835 0.317 -1.468
257 1HD1 LEU 15 HD12 LEU 15 -5.291 0.664 0.248
258 2HD1 LEU 15 HD11 LEU 15 -3.935 1.789 0.169
259 3HD1 LEU 15 HD13 LEU 15 -4.944 1.523 -1.254
260 1HD2 LEU 15 HD23 LEU 15 -3.663 -1.224 0.995
261 2HD2 LEU 15 HD22 LEU 15 -2.138 -1.355 0.120
262 3HD2 LEU 15 HD21 LEU 15 -2.512 0.109 1.026
263 H GLU 16 HN GLU 16 -3.701 -2.067 -4.485
264 HA GLU 16 HA GLU 16 -5.863 -3.953 -4.924
265 1HB GLU 16 HB2 GLU 16 -4.833 -1.914 -6.401
266 2HB GLU 16 HB1 GLU 16 -4.054 -3.287 -7.187
267 1HG GLU 16 HG2 GLU 16 -6.495 -4.316 -7.080
268 2HG GLU 16 HG1 GLU 16 -6.968 -2.619 -6.993
269 H LEU 17 HN LEU 17 -2.360 -4.098 -4.910
270 HA LEU 17 HA LEU 17 -2.076 -6.639 -6.236
271 1HB LEU 17 HB2 LEU 17 -0.374 -4.658 -5.222
272 2HB LEU 17 HB1 LEU 17 -0.032 -6.069 -4.224
273 HG LEU 17 HG LEU 17 0.200 -7.410 -6.354
274 1HD1 LEU 17 HD12 LEU 17 -1.063 -5.382 -7.572
275 2HD1 LEU 17 HD11 LEU 17 0.598 -4.852 -7.835
276 3HD1 LEU 17 HD13 LEU 17 0.070 -6.424 -8.434
277 1HD2 LEU 17 HD23 LEU 17 1.992 -5.249 -5.392
278 2HD2 LEU 17 HD22 LEU 17 2.322 -6.967 -5.622
279 3HD2 LEU 17 HD21 LEU 17 2.363 -5.870 -7.002
280 H VAL 18 HN VAL 18 -2.590 -5.657 -2.875
281 HA VAL 18 HA VAL 18 -2.253 -8.375 -1.839
282 HB VAL 18 HB VAL 18 -3.448 -5.936 -0.486
283 1HG1 VAL 18 HG13 VAL 18 -2.528 -8.649 0.442
284 2HG1 VAL 18 HG12 VAL 18 -2.483 -7.269 1.541
285 3HG1 VAL 18 HG11 VAL 18 -4.016 -7.790 0.840
286 1HG2 VAL 18 HG23 VAL 18 -1.030 -5.799 -1.433
287 2HG2 VAL 18 HG22 VAL 18 -1.281 -5.370 0.258
288 3HG2 VAL 18 HG21 VAL 18 -0.627 -6.953 -0.162
289 H CYS 19 HN CYS 19 -5.080 -6.181 -1.573
290 HA CYS 19 HA CYS 19 -6.967 -8.256 -1.140
291 1HB CYS 19 HB2 CYS 19 -7.023 -5.381 -1.650
292 2HB CYS 19 HB1 CYS 19 -8.379 -6.193 -2.421
293 H GLY 20 HN GLY 20 -7.191 -6.281 -4.109
294 1HA GLY 20 HA2 GLY 20 -6.556 -7.710 -6.222
295 2HA GLY 20 HA1 GLY 20 -7.781 -8.803 -5.584
296 H GLU 21 HN GLU 21 -9.825 -7.177 -4.821
297 HA GLU 21 HA GLU 21 -10.741 -6.130 -7.427
298 1HB GLU 21 HB2 GLU 21 -12.186 -6.524 -4.791
299 2HB GLU 21 HB1 GLU 21 -12.948 -5.964 -6.280
300 1HG GLU 21 HG2 GLU 21 -11.470 -8.599 -5.994
301 2HG GLU 21 HG1 GLU 21 -13.226 -8.424 -5.921
302 H ARG 22 HN ARG 22 -11.588 -3.991 -7.680
303 HA ARG 22 HA ARG 22 -10.145 -1.966 -6.160
304 1HB ARG 22 HB2 ARG 22 -12.164 -1.885 -8.404
305 2HB ARG 22 HB1 ARG 22 -11.641 -0.407 -7.594
306 1HG ARG 22 HG2 ARG 22 -9.228 -1.515 -8.041
307 2HG ARG 22 HG1 ARG 22 -10.113 -2.222 -9.392
308 1HD ARG 22 HD2 ARG 22 -10.969 0.213 -9.789
309 2HD ARG 22 HD1 ARG 22 -9.589 0.682 -8.794
310 HE ARG 22 HE ARG 22 -8.510 -1.049 -10.677
311 1HH1 ARG 22 HH21 ARG 22 -10.401 1.889 -10.810
312 2HH1 ARG 22 HH22 ARG 22 -9.721 2.376 -12.324
313 1HH2 ARG 22 HH11 ARG 22 -7.656 -0.380 -12.635
314 2HH2 ARG 22 HH12 ARG 22 -8.186 1.107 -13.348
315 H GLY 23 HN GLY 23 -10.968 -0.642 -4.557
316 1HA GLY 23 HA2 GLY 23 -12.650 0.348 -3.177
317 2HA GLY 23 HA1 GLY 23 -13.857 -0.675 -3.955
318 H GLY 24 HN GLY 24 -10.991 -2.303 -2.916
319 1HA GLY 24 HA2 GLY 24 -12.482 -3.376 -0.555
320 2HA GLY 24 HA1 GLY 24 -11.382 -4.349 -1.540
321 H PHE 25 HN PHE 25 -10.764 -1.018 -0.598
322 HA PHE 25 HA PHE 25 -9.144 -1.535 1.702
323 1HB PHE 25 HB2 PHE 25 -6.899 -1.134 0.572
324 2HB PHE 25 HB1 PHE 25 -7.627 -2.703 0.243
325 HD1 PHE 25 HD2 PHE 25 -6.830 0.618 -1.160
326 HD2 PHE 25 HD1 PHE 25 -8.549 -3.239 -1.946
327 HE1 PHE 25 HE2 PHE 25 -6.775 1.090 -3.591
328 HE2 PHE 25 HE1 PHE 25 -8.498 -2.766 -4.380
329 HZ PHE 25 HZ PHE 25 -7.608 -0.601 -5.201
330 H TYR 26 HN TYR 26 -7.287 0.493 1.569
331 HA TYR 26 HA TYR 26 -8.748 2.849 1.997
332 1HB TYR 26 HB2 TYR 26 -6.504 2.713 2.812
333 2HB TYR 26 HB1 TYR 26 -5.862 2.390 1.210
334 HD1 TYR 26 HD2 TYR 26 -8.386 5.019 2.046
335 HD2 TYR 26 HD1 TYR 26 -4.296 4.164 1.032
336 HE1 TYR 26 HE2 TYR 26 -7.964 7.440 1.710
337 HE2 TYR 26 HE1 TYR 26 -3.876 6.589 0.698
338 HH TYR 26 HH TYR 26 -4.778 8.717 1.315
339 H THR 27 HN THR 27 -10.211 3.458 0.439
340 HA THR 27 HA THR 27 -9.087 4.302 -2.197
341 HB THR 27 HB THR 27 -11.343 3.618 -3.171
342 HG1 THR 27 HG1 THR 27 -12.738 2.793 -1.857
343 1HG2 THR 27 HG22 THR 27 -9.336 1.654 -2.079
344 2HG2 THR 27 HG21 THR 27 -10.710 1.105 -3.038
345 3HG2 THR 27 HG23 THR 27 -9.535 2.218 -3.738
346 HA PRO 28 HA PRO 28 -11.082 7.889 -0.088
347 1HB PRO 28 HB2 PRO 28 -9.633 9.580 -1.919
348 2HB PRO 28 HB1 PRO 28 -9.399 9.402 -0.176
349 1HG PRO 28 HG2 PRO 28 -7.705 8.427 -2.282
350 2HG PRO 28 HG1 PRO 28 -7.485 8.237 -0.536
351 1HD PRO 28 HD2 PRO 28 -8.248 6.226 -2.442
352 2HD PRO 28 HD1 PRO 28 -8.042 6.044 -0.691
353 H LYS 29 HN LYS 29 -12.788 9.179 -0.868
354 HA LYS 29 HA LYS 29 -13.674 8.544 -3.638
355 1HB LYS 29 HB2 LYS 29 -15.099 9.442 -1.136
356 2HB LYS 29 HB1 LYS 29 -15.861 9.609 -2.718
357 1HG LYS 29 HG2 LYS 29 -15.773 7.253 -3.119
358 2HG LYS 29 HG1 LYS 29 -14.689 6.995 -1.751
359 1HD LYS 29 HD2 LYS 29 -16.771 8.189 -0.481
360 2HD LYS 29 HD1 LYS 29 -17.632 7.368 -1.784
361 1HE LYS 29 HE2 LYS 29 -16.035 5.350 -1.059
362 2HE LYS 29 HE1 LYS 29 -16.066 6.211 0.480
363 1HZ LYS 29 HZ2 LYS 29 -18.553 6.250 0.213
364 2HZ LYS 29 HZ1 LYS 29 -18.359 5.126 -1.046
365 3HZ LYS 29 HZ3 LYS 29 -17.867 4.726 0.527
No H/Q in entry = 365
Start of MODEL 9
1 1H GLY 1 HT1 GLY 1 0.732 4.405 12.876
2 2H GLY 1 HT3 GLY 1 -0.788 4.942 13.400
3 3H GLY 1 HT2 GLY 1 -0.511 3.282 13.162
4 1HA GLY 1 HA2 GLY 1 -1.796 4.162 11.335
5 2HA GLY 1 HA1 GLY 1 -0.543 5.369 11.050
6 H ILE 2 HN ILE 2 -0.998 3.894 8.908
7 HA ILE 2 HA ILE 2 1.059 1.734 8.908
8 HB ILE 2 HB ILE 2 -1.177 2.115 6.960
9 1HG1 ILE 2 HG12 ILE 2 -1.816 -0.146 8.309
10 2HG1 ILE 2 HG11 ILE 2 -1.047 0.777 9.601
11 1HG2 ILE 2 HG23 ILE 2 1.120 0.723 6.611
12 2HG2 ILE 2 HG22 ILE 2 0.126 -0.507 7.392
13 3HG2 ILE 2 HG21 ILE 2 -0.415 0.242 5.890
14 1HD1 ILE 2 HD11 ILE 2 -2.586 2.722 8.566
15 2HD1 ILE 2 HD13 ILE 2 -3.572 1.330 8.121
16 3HD1 ILE 2 HD12 ILE 2 -3.173 1.624 9.813
17 H VAL 3 HN VAL 3 -0.365 4.171 6.710
18 HA VAL 3 HA VAL 3 1.869 4.174 4.901
19 HB VAL 3 HB VAL 3 -0.091 6.435 5.401
20 1HG1 VAL 3 HG12 VAL 3 1.954 5.787 3.337
21 2HG1 VAL 3 HG11 VAL 3 0.424 6.440 2.750
22 3HG1 VAL 3 HG13 VAL 3 1.388 7.357 3.907
23 1HG2 VAL 3 HG21 VAL 3 -0.327 3.837 3.893
24 2HG2 VAL 3 HG23 VAL 3 -1.500 4.610 4.961
25 3HG2 VAL 3 HG22 VAL 3 -1.215 5.263 3.347
26 H GLU 4 HN GLU 4 1.110 6.030 7.812
27 HA GLU 4 HA GLU 4 3.128 8.029 7.562
28 1HB GLU 4 HB2 GLU 4 1.693 6.796 9.905
29 2HB GLU 4 HB1 GLU 4 2.991 7.963 10.166
30 1HG GLU 4 HG2 GLU 4 1.810 9.585 8.713
31 2HG GLU 4 HG1 GLU 4 0.497 8.423 8.501
32 H GLN 5 HN GLN 5 3.364 4.641 8.319
33 HA GLN 5 HA GLN 5 6.191 5.042 9.189
34 1HB GLN 5 HB2 GLN 5 4.410 2.625 9.597
35 2HB GLN 5 HB1 GLN 5 6.030 2.853 10.257
36 1HG GLN 5 HG2 GLN 5 4.917 5.103 11.186
37 2HG GLN 5 HG1 GLN 5 3.453 4.127 11.069
38 1HE2 GLN 5 HE22 GLN 5 5.135 3.569 14.416
39 2HE2 GLN 5 HE21 GLN 5 4.644 4.972 13.597
40 H CYS 6 HN CYS 6 4.420 4.161 6.461
41 HA CYS 6 HA CYS 6 6.669 2.440 5.507
42 1HB CYS 6 HB2 CYS 6 3.772 2.357 4.618
43 2HB CYS 6 HB1 CYS 6 5.067 1.312 4.037
44 H CYS 7 HN CYS 7 6.007 5.496 5.316
45 HA CYS 7 HA CYS 7 6.230 5.636 2.337
46 1HB CYS 7 HB2 CYS 7 4.345 6.881 3.933
47 2HB CYS 7 HB1 CYS 7 5.550 8.147 3.723
48 H THR 8 HN THR 8 8.339 5.351 4.556
49 HA THR 8 HA THR 8 10.014 7.660 3.664
50 HB THR 8 HB THR 8 10.114 6.400 6.422
51 HG1 THR 8 HG1 THR 8 8.926 8.807 5.511
52 1HG2 THR 8 HG21 THR 8 12.151 7.579 5.315
53 2HG2 THR 8 HG23 THR 8 11.232 9.062 5.572
54 3HG2 THR 8 HG22 THR 8 11.692 8.059 6.948
55 H SER 9 HN SER 9 10.425 4.643 5.544
56 HA SER 9 HA SER 9 12.834 4.026 3.918
57 1HB SER 9 HB2 SER 9 11.893 2.310 6.191
58 2HB SER 9 HB1 SER 9 13.538 2.669 5.674
59 HG SER 9 HG SER 9 12.715 3.738 7.655
60 H ILE 10 HN ILE 10 12.775 1.224 4.086
61 HA ILE 10 HA ILE 10 10.629 0.651 2.127
62 HB ILE 10 HB ILE 10 12.620 -1.421 2.995
63 1HG1 ILE 10 HG12 ILE 10 13.997 0.609 2.655
64 2HG1 ILE 10 HG11 ILE 10 14.262 -0.552 1.358
65 1HG2 ILE 10 HG22 ILE 10 11.355 -0.653 0.350
66 2HG2 ILE 10 HG21 ILE 10 12.431 -2.032 0.603
67 3HG2 ILE 10 HG23 ILE 10 10.853 -1.988 1.391
68 1HD1 ILE 10 HD11 ILE 10 12.130 1.515 0.979
69 2HD1 ILE 10 HD13 ILE 10 13.814 2.014 0.824
70 3HD1 ILE 10 HD12 ILE 10 13.169 0.745 -0.217
71 H CYS 11 HN CYS 11 8.745 0.380 3.282
72 HA CYS 11 HA CYS 11 8.602 -1.018 5.805
73 1HB CYS 11 HB2 CYS 11 6.917 0.641 4.382
74 2HB CYS 11 HB1 CYS 11 6.128 -0.923 4.196
75 H SER 12 HN SER 12 6.505 -2.794 5.576
76 HA SER 12 HA SER 12 7.488 -4.846 3.639
77 1HB SER 12 HB2 SER 12 6.535 -6.316 5.797
78 2HB SER 12 HB1 SER 12 8.229 -6.033 5.411
79 HG SER 12 HG SER 12 8.167 -5.162 7.346
80 H LEU 13 HN LEU 13 5.865 -6.413 3.014
81 HA LEU 13 HA LEU 13 3.298 -5.247 2.509
82 1HB LEU 13 HB2 LEU 13 4.505 -6.982 1.104
83 2HB LEU 13 HB1 LEU 13 4.056 -8.178 2.312
84 HG LEU 13 HG LEU 13 2.552 -8.029 0.258
85 1HD1 LEU 13 HD13 LEU 13 1.977 -8.598 2.907
86 2HD1 LEU 13 HD12 LEU 13 0.679 -7.499 2.439
87 3HD1 LEU 13 HD11 LEU 13 0.957 -8.980 1.522
88 1HD2 LEU 13 HD22 LEU 13 2.582 -5.348 0.637
89 2HD2 LEU 13 HD21 LEU 13 1.270 -6.185 -0.194
90 3HD2 LEU 13 HD23 LEU 13 1.103 -5.752 1.507
91 H TYR 14 HN TYR 14 4.483 -7.300 5.098
92 HA TYR 14 HA TYR 14 2.060 -8.428 5.994
93 1HB TYR 14 HB2 TYR 14 3.180 -8.984 7.960
94 2HB TYR 14 HB1 TYR 14 4.516 -8.749 6.845
95 HD1 TYR 14 HD2 TYR 14 4.837 -5.853 6.709
96 HD2 TYR 14 HD1 TYR 14 3.859 -8.337 10.069
97 HE1 TYR 14 HE2 TYR 14 5.783 -4.149 8.244
98 HE2 TYR 14 HE1 TYR 14 4.800 -6.633 11.608
99 HH TYR 14 HH TYR 14 5.159 -3.778 11.192
100 H GLN 15 HN GLN 15 3.059 -5.102 6.104
101 HA GLN 15 HA GLN 15 1.077 -4.394 8.165
102 1HB GLN 15 HB2 GLN 15 3.370 -3.123 6.914
103 2HB GLN 15 HB1 GLN 15 1.974 -2.045 6.880
104 1HG GLN 15 HG2 GLN 15 1.816 -1.953 9.197
105 2HG GLN 15 HG1 GLN 15 2.589 -3.524 9.415
106 1HE2 GLN 15 HE22 GLN 15 4.977 -0.658 10.220
107 2HE2 GLN 15 HE21 GLN 15 3.375 -0.948 10.700
108 H LEU 16 HN LEU 16 1.482 -4.077 4.642
109 HA LEU 16 HA LEU 16 -0.943 -2.570 4.231
110 1HB LEU 16 HB2 LEU 16 1.046 -3.949 2.532
111 2HB LEU 16 HB1 LEU 16 -0.578 -3.866 1.850
112 HG LEU 16 HG LEU 16 0.963 -1.489 2.932
113 1HD1 LEU 16 HD12 LEU 16 0.569 -2.602 0.158
114 2HD1 LEU 16 HD11 LEU 16 0.874 -0.883 0.410
115 3HD1 LEU 16 HD13 LEU 16 2.064 -2.076 0.931
116 1HD2 LEU 16 HD22 LEU 16 -1.799 -1.923 1.877
117 2HD2 LEU 16 HD21 LEU 16 -1.228 -0.780 3.093
118 3HD2 LEU 16 HD23 LEU 16 -0.974 -0.445 1.381
119 H GLU 17 HN GLU 17 -0.467 -5.834 5.115
120 HA GLU 17 HA GLU 17 -2.649 -7.058 3.710
121 1HB GLU 17 HB2 GLU 17 -0.673 -8.081 5.166
122 2HB GLU 17 HB1 GLU 17 -1.875 -7.972 6.452
123 1HG GLU 17 HG2 GLU 17 -3.485 -9.143 4.834
124 2HG GLU 17 HG1 GLU 17 -2.061 -9.508 3.857
125 H ASN 18 HN ASN 18 -2.438 -5.093 6.615
126 HA ASN 18 HA ASN 18 -5.050 -5.764 7.652
127 1HB ASN 18 HB2 ASN 18 -3.129 -4.675 8.928
128 2HB ASN 18 HB1 ASN 18 -3.567 -3.172 8.113
129 1HD2 ASN 18 HD22 ASN 18 -6.266 -2.539 10.279
130 2HD2 ASN 18 HD21 ASN 18 -5.218 -1.957 9.076
131 H TYR 19 HN TYR 19 -4.093 -3.918 4.964
132 HA TYR 19 HA TYR 19 -6.231 -1.963 5.000
133 1HB TYR 19 HB2 TYR 19 -4.195 -2.891 3.003
134 2HB TYR 19 HB1 TYR 19 -5.566 -1.937 2.440
135 HD1 TYR 19 HD2 TYR 19 -3.464 -1.832 5.558
136 HD2 TYR 19 HD1 TYR 19 -4.928 0.285 2.115
137 HE1 TYR 19 HE2 TYR 19 -2.355 0.239 6.357
138 HE2 TYR 19 HE1 TYR 19 -3.823 2.352 2.920
139 HH TYR 19 HH TYR 19 -3.087 3.181 5.438
140 H CYS 20 HN CYS 20 -6.241 -5.317 4.438
141 HA CYS 20 HA CYS 20 -8.504 -5.173 2.521
142 1HB CYS 20 HB2 CYS 20 -6.731 -7.397 3.522
143 2HB CYS 20 HB1 CYS 20 -8.250 -7.751 2.701
144 H ASN 21 HN ASN 21 -8.815 -4.253 5.288
145 HA ASN 21 HA ASN 21 -10.327 -6.354 6.676
146 1HB ASN 21 HB2 ASN 21 -9.458 -3.564 7.269
147 2HB ASN 21 HB1 ASN 21 -10.904 -4.147 8.094
148 1HD2 ASN 21 HD22 ASN 21 -8.811 -5.682 10.480
149 2HD2 ASN 21 HD21 ASN 21 -10.100 -4.620 10.181
150 1H PHE 1 HT1 PHE 1 6.961 -3.217 -3.925
151 2H PHE 1 HT3 PHE 1 5.585 -4.150 -3.603
152 3H PHE 1 HT2 PHE 1 5.428 -2.490 -3.912
153 HA PHE 1 HA PHE 1 6.591 -1.926 -1.910
154 1HB PHE 1 HB2 PHE 1 4.984 -3.046 -0.229
155 2HB PHE 1 HB1 PHE 1 4.282 -2.051 -1.501
156 HD1 PHE 1 HD2 PHE 1 5.029 -5.576 -0.525
157 HD2 PHE 1 HD1 PHE 1 2.794 -2.967 -3.096
158 HE1 PHE 1 HE2 PHE 1 3.677 -7.501 -1.308
159 HE2 PHE 1 HE1 PHE 1 1.439 -4.882 -3.873
160 HZ PHE 1 HZ PHE 1 1.875 -7.144 -2.980
161 H VAL 2 HN VAL 2 6.943 -5.261 -2.809
162 HA VAL 2 HA VAL 2 7.986 -6.295 -0.351
163 HB VAL 2 HB VAL 2 8.819 -7.086 -3.159
164 1HG1 VAL 2 HG12 VAL 2 10.152 -8.004 -1.256
165 2HG1 VAL 2 HG11 VAL 2 8.669 -8.675 -0.581
166 3HG1 VAL 2 HG13 VAL 2 9.269 -9.253 -2.134
167 1HG2 VAL 2 HG22 VAL 2 6.330 -7.617 -1.562
168 2HG2 VAL 2 HG21 VAL 2 6.503 -7.321 -3.293
169 3HG2 VAL 2 HG23 VAL 2 6.954 -8.886 -2.618
170 H ASN 3 HN ASN 3 9.388 -4.402 -2.957
171 HA ASN 3 HA ASN 3 11.759 -3.871 -1.256
172 1HB ASN 3 HB2 ASN 3 11.791 -5.092 -4.009
173 2HB ASN 3 HB1 ASN 3 13.124 -4.062 -3.483
174 1HD2 ASN 3 HD22 ASN 3 12.585 -7.714 -1.687
175 2HD2 ASN 3 HD21 ASN 3 11.317 -7.027 -2.580
176 H GLN 4 HN GLN 4 9.343 -2.377 -2.112
177 HA GLN 4 HA GLN 4 10.717 -0.133 -3.531
178 1HB GLN 4 HB2 GLN 4 7.775 -0.848 -3.768
179 2HB GLN 4 HB1 GLN 4 8.645 0.387 -4.679
180 1HG GLN 4 HG2 GLN 4 9.288 -2.573 -4.782
181 2HG GLN 4 HG1 GLN 4 8.305 -1.727 -5.978
182 1HE2 GLN 4 HE22 GLN 4 11.218 0.311 -7.011
183 2HE2 GLN 4 HE21 GLN 4 9.629 0.599 -6.492
184 H HIS 5 HN HIS 5 8.512 1.686 -3.186
185 HA HIS 5 HA HIS 5 8.543 1.957 -0.210
186 1HB HIS 5 HB2 HIS 5 8.855 3.961 -2.420
187 2HB HIS 5 HB1 HIS 5 8.174 4.477 -0.876
188 HD1 HIS 5 HD1 HIS 5 11.357 3.566 -2.511
189 HD2 HIS 5 HD2 HIS 5 9.960 3.972 1.393
190 HE1 HIS 5 HE1 HIS 5 13.403 3.616 -1.017
191 H LEU 6 HN LEU 6 6.652 3.837 0.215
192 HA LEU 6 HA LEU 6 4.182 2.771 -1.094
193 1HB LEU 6 HB2 LEU 6 4.948 2.199 1.483
194 2HB LEU 6 HB1 LEU 6 3.917 3.607 1.724
195 HG LEU 6 HG LEU 6 2.130 2.494 0.400
196 1HD1 LEU 6 HD13 LEU 6 4.326 0.562 -0.026
197 2HD1 LEU 6 HD12 LEU 6 2.779 -0.176 0.383
198 3HD1 LEU 6 HD11 LEU 6 2.905 0.886 -1.019
199 1HD2 LEU 6 HD22 LEU 6 2.610 2.200 2.979
200 2HD2 LEU 6 HD21 LEU 6 1.381 1.202 2.199
201 3HD2 LEU 6 HD23 LEU 6 2.984 0.539 2.516
202 H CYS 7 HN CYS 7 5.448 5.166 -1.908
203 HA CYS 7 HA CYS 7 3.535 7.213 -0.852
204 1HB CYS 7 HB2 CYS 7 6.323 7.729 -1.932
205 2HB CYS 7 HB1 CYS 7 5.221 8.930 -1.258
206 H GLY 8 HN GLY 8 2.335 8.283 -2.383
207 1HA GLY 8 HA2 GLY 8 1.719 9.089 -4.530
208 2HA GLY 8 HA1 GLY 8 3.157 8.322 -5.203
209 H SER 9 HN SER 9 2.410 6.975 -6.772
210 HA SER 9 HA SER 9 -0.110 5.507 -6.471
211 1HB SER 9 HB2 SER 9 2.003 5.218 -8.625
212 2HB SER 9 HB1 SER 9 0.323 4.698 -8.711
213 HG SER 9 HG SER 9 0.418 6.664 -9.704
214 H HIS 10 HN HIS 10 2.856 4.966 -5.108
215 HA HIS 10 HA HIS 10 3.143 2.120 -5.660
216 1HB HIS 10 HB2 HIS 10 4.447 4.113 -3.856
217 2HB HIS 10 HB1 HIS 10 4.598 2.403 -3.457
218 HD1 HIS 10 HD1 HIS 10 4.955 1.062 -6.097
219 HD2 HIS 10 HD2 HIS 10 6.752 4.729 -5.256
220 HE1 HIS 10 HE1 HIS 10 6.906 1.286 -7.695
221 H LEU 11 HN LEU 11 1.698 4.133 -3.139
222 HA LEU 11 HA LEU 11 1.038 1.968 -1.349
223 1HB LEU 11 HB2 LEU 11 1.077 4.230 -0.485
224 2HB LEU 11 HB1 LEU 11 -0.091 4.767 -1.686
225 HG LEU 11 HG LEU 11 -1.821 3.340 -0.668
226 1HD1 LEU 11 HD12 LEU 11 -0.300 1.561 0.166
227 2HD1 LEU 11 HD11 LEU 11 0.303 2.674 1.395
228 3HD1 LEU 11 HD13 LEU 11 -1.382 2.147 1.432
229 1HD2 LEU 11 HD21 LEU 11 -0.317 5.230 1.149
230 2HD2 LEU 11 HD23 LEU 11 -1.777 5.549 0.212
231 3HD2 LEU 11 HD22 LEU 11 -1.849 4.500 1.627
232 H VAL 12 HN VAL 12 -1.143 3.919 -3.420
233 HA VAL 12 HA VAL 12 -3.383 2.253 -3.240
234 HB VAL 12 HB VAL 12 -2.593 4.580 -4.650
235 1HG1 VAL 12 HG13 VAL 12 -3.752 2.505 -6.525
236 2HG1 VAL 12 HG12 VAL 12 -3.836 4.242 -6.824
237 3HG1 VAL 12 HG11 VAL 12 -2.267 3.441 -6.730
238 1HG2 VAL 12 HG23 VAL 12 -5.211 3.141 -4.235
239 2HG2 VAL 12 HG22 VAL 12 -4.575 4.543 -3.371
240 3HG2 VAL 12 HG21 VAL 12 -5.124 4.710 -5.040
241 H GLU 13 HN GLU 13 -0.822 2.106 -5.755
242 HA GLU 13 HA GLU 13 -1.905 -0.105 -7.189
243 1HB GLU 13 HB2 GLU 13 0.068 1.398 -7.848
244 2HB GLU 13 HB1 GLU 13 1.057 0.372 -6.810
245 1HG GLU 13 HG2 GLU 13 0.911 -1.437 -8.218
246 2HG GLU 13 HG1 GLU 13 -0.714 -1.014 -8.760
247 H ALA 14 HN ALA 14 -0.035 0.044 -4.221
248 HA ALA 14 HA ALA 14 0.611 -2.772 -4.114
249 1HB ALA 14 HB2 ALA 14 1.776 -0.953 -2.800
250 2HB ALA 14 HB1 ALA 14 0.341 -0.868 -1.775
251 3HB ALA 14 HB3 ALA 14 1.289 -2.355 -1.843
252 H LEU 15 HN LEU 15 -2.135 -0.824 -3.058
253 HA LEU 15 HA LEU 15 -3.325 -2.859 -1.394
254 1HB LEU 15 HB2 LEU 15 -4.804 -0.672 -2.880
255 2HB LEU 15 HB1 LEU 15 -5.305 -1.498 -1.409
256 HG LEU 15 HG LEU 15 -2.909 0.334 -1.679
257 1HD1 LEU 15 HD13 LEU 15 -5.258 1.340 -1.664
258 2HD1 LEU 15 HD12 LEU 15 -5.389 0.728 -0.014
259 3HD1 LEU 15 HD11 LEU 15 -4.148 1.915 -0.418
260 1HD2 LEU 15 HD21 LEU 15 -3.961 -1.368 0.574
261 2HD2 LEU 15 HD23 LEU 15 -2.302 -1.223 -0.012
262 3HD2 LEU 15 HD22 LEU 15 -3.035 0.096 0.903
263 H GLU 16 HN GLU 16 -3.649 -1.983 -4.815
264 HA GLU 16 HA GLU 16 -5.761 -3.850 -5.403
265 1HB GLU 16 HB2 GLU 16 -4.783 -1.837 -6.807
266 2HB GLU 16 HB1 GLU 16 -3.713 -3.079 -7.459
267 1HG GLU 16 HG2 GLU 16 -6.674 -3.585 -7.314
268 2HG GLU 16 HG1 GLU 16 -6.010 -2.627 -8.639
269 H LEU 17 HN LEU 17 -2.235 -4.101 -5.331
270 HA LEU 17 HA LEU 17 -2.062 -6.665 -6.629
271 1HB LEU 17 HB2 LEU 17 -0.261 -4.782 -5.474
272 2HB LEU 17 HB1 LEU 17 0.050 -6.331 -4.694
273 HG LEU 17 HG LEU 17 0.100 -7.364 -7.014
274 1HD1 LEU 17 HD11 LEU 17 -1.097 -5.306 -7.999
275 2HD1 LEU 17 HD13 LEU 17 0.482 -4.518 -7.950
276 3HD1 LEU 17 HD12 LEU 17 0.250 -5.968 -8.927
277 1HD2 LEU 17 HD22 LEU 17 2.139 -6.750 -5.677
278 2HD2 LEU 17 HD21 LEU 17 2.397 -6.679 -7.420
279 3HD2 LEU 17 HD23 LEU 17 2.156 -5.192 -6.503
280 H VAL 18 HN VAL 18 -2.195 -5.737 -3.179
281 HA VAL 18 HA VAL 18 -2.093 -8.433 -2.184
282 HB VAL 18 HB VAL 18 -3.300 -5.978 -0.865
283 1HG1 VAL 18 HG13 VAL 18 -2.417 -8.691 0.126
284 2HG1 VAL 18 HG12 VAL 18 -2.514 -7.304 1.207
285 3HG1 VAL 18 HG11 VAL 18 -3.962 -7.882 0.384
286 1HG2 VAL 18 HG23 VAL 18 -0.502 -6.861 -1.352
287 2HG2 VAL 18 HG22 VAL 18 -1.137 -5.239 -1.091
288 3HG2 VAL 18 HG21 VAL 18 -0.857 -6.305 0.284
289 H CYS 19 HN CYS 19 -4.907 -6.216 -2.011
290 HA CYS 19 HA CYS 19 -6.735 -8.502 -1.957
291 1HB CYS 19 HB2 CYS 19 -6.889 -5.600 -1.487
292 2HB CYS 19 HB1 CYS 19 -8.297 -6.234 -2.336
293 H GLY 20 HN GLY 20 -7.094 -5.605 -4.008
294 1HA GLY 20 HA2 GLY 20 -6.867 -5.672 -6.453
295 2HA GLY 20 HA1 GLY 20 -7.224 -7.397 -6.392
296 H GLU 21 HN GLU 21 -9.434 -6.931 -4.416
297 HA GLU 21 HA GLU 21 -11.583 -6.685 -6.294
298 1HB GLU 21 HB2 GLU 21 -11.370 -7.636 -3.744
299 2HB GLU 21 HB1 GLU 21 -12.208 -6.112 -3.458
300 1HG GLU 21 HG2 GLU 21 -13.628 -6.972 -5.575
301 2HG GLU 21 HG1 GLU 21 -13.132 -8.533 -4.922
302 H ARG 22 HN ARG 22 -13.397 -5.007 -5.940
303 HA ARG 22 HA ARG 22 -12.159 -2.328 -6.067
304 1HB ARG 22 HB2 ARG 22 -14.490 -3.618 -7.207
305 2HB ARG 22 HB1 ARG 22 -14.969 -2.129 -6.395
306 1HG ARG 22 HG2 ARG 22 -13.344 -0.849 -7.671
307 2HG ARG 22 HG1 ARG 22 -12.697 -2.320 -8.392
308 1HD ARG 22 HD2 ARG 22 -14.331 -2.394 -9.945
309 2HD ARG 22 HD1 ARG 22 -15.595 -2.095 -8.760
310 HE ARG 22 HE ARG 22 -14.565 -0.193 -10.613
311 1HH1 ARG 22 HH21 ARG 22 -15.355 -0.372 -7.220
312 2HH1 ARG 22 HH22 ARG 22 -15.362 1.343 -7.028
313 1HH2 ARG 22 HH11 ARG 22 -14.616 2.020 -10.334
314 2HH2 ARG 22 HH12 ARG 22 -14.963 2.687 -8.772
315 H GLY 23 HN GLY 23 -12.510 -0.717 -4.554
316 1HA GLY 23 HA2 GLY 23 -13.109 0.246 -2.500
317 2HA GLY 23 HA1 GLY 23 -14.623 -0.648 -2.639
318 H GLY 24 HN GLY 24 -11.508 -2.259 -2.626
319 1HA GLY 24 HA2 GLY 24 -12.229 -3.451 0.017
320 2HA GLY 24 HA1 GLY 24 -11.295 -4.286 -1.225
321 H PHE 25 HN PHE 25 -10.705 -0.905 -0.493
322 HA PHE 25 HA PHE 25 -8.694 -1.234 1.494
323 1HB PHE 25 HB2 PHE 25 -6.686 -0.792 -0.039
324 2HB PHE 25 HB1 PHE 25 -7.327 -2.432 -0.025
325 HD1 PHE 25 HD2 PHE 25 -7.365 0.779 -1.919
326 HD2 PHE 25 HD1 PHE 25 -8.189 -3.432 -2.000
327 HE1 PHE 25 HE2 PHE 25 -7.713 0.898 -4.370
328 HE2 PHE 25 HE1 PHE 25 -8.528 -3.315 -4.456
329 HZ PHE 25 HZ PHE 25 -8.296 -1.149 -5.638
330 H TYR 26 HN TYR 26 -7.006 0.755 1.192
331 HA TYR 26 HA TYR 26 -8.518 3.125 1.522
332 1HB TYR 26 HB2 TYR 26 -6.344 3.055 2.481
333 2HB TYR 26 HB1 TYR 26 -5.594 2.598 0.960
334 HD1 TYR 26 HD2 TYR 26 -7.927 5.362 1.990
335 HD2 TYR 26 HD1 TYR 26 -4.203 4.264 0.161
336 HE1 TYR 26 HE2 TYR 26 -7.473 7.750 1.490
337 HE2 TYR 26 HE1 TYR 26 -3.745 6.651 -0.342
338 HH TYR 26 HH TYR 26 -4.394 8.848 0.419
339 H THR 27 HN THR 27 -9.473 4.444 0.065
340 HA THR 27 HA THR 27 -8.562 4.300 -2.777
341 HB THR 27 HB THR 27 -10.965 5.104 -3.251
342 HG1 THR 27 HG1 THR 27 -11.334 4.031 -0.656
343 1HG2 THR 27 HG22 THR 27 -10.095 2.791 -3.651
344 2HG2 THR 27 HG21 THR 27 -10.615 2.358 -2.022
345 3HG2 THR 27 HG23 THR 27 -11.809 2.826 -3.234
346 HA PRO 28 HA PRO 28 -7.462 8.541 -1.400
347 1HB PRO 28 HB2 PRO 28 -6.084 8.857 -3.916
348 2HB PRO 28 HB1 PRO 28 -5.389 8.720 -2.295
349 1HG PRO 28 HG2 PRO 28 -5.380 6.746 -4.387
350 2HG PRO 28 HG1 PRO 28 -4.687 6.614 -2.765
351 1HD PRO 28 HD2 PRO 28 -7.024 5.300 -3.778
352 2HD PRO 28 HD1 PRO 28 -6.356 5.212 -2.140
353 H LYS 29 HN LYS 29 -7.936 10.671 -2.423
354 HA LYS 29 HA LYS 29 -10.484 10.705 -3.731
355 1HB LYS 29 HB2 LYS 29 -9.998 13.155 -4.056
356 2HB LYS 29 HB1 LYS 29 -9.803 12.605 -2.392
357 1HG LYS 29 HG2 LYS 29 -7.587 13.064 -2.385
358 2HG LYS 29 HG1 LYS 29 -7.343 12.323 -3.966
359 1HD LYS 29 HD2 LYS 29 -6.836 14.615 -4.298
360 2HD LYS 29 HD1 LYS 29 -8.467 14.424 -4.937
361 1HE LYS 29 HE2 LYS 29 -8.714 14.996 -2.154
362 2HE LYS 29 HE1 LYS 29 -7.572 16.155 -2.831
363 1HZ LYS 29 HZ1 LYS 29 -9.223 16.536 -4.634
364 2HZ LYS 29 HZ3 LYS 29 -10.330 15.591 -3.763
365 3HZ LYS 29 HZ2 LYS 29 -9.741 17.038 -3.096
No H/Q in entry = 365
Start of MODEL 10
1 1H GLY 1 HT3 GLY 1 -0.105 4.421 13.016
2 2H GLY 1 HT2 GLY 1 1.460 4.019 13.544
3 3H GLY 1 HT1 GLY 1 0.889 5.611 13.703
4 1HA GLY 1 HA2 GLY 1 1.028 6.045 11.439
5 2HA GLY 1 HA1 GLY 1 2.493 5.132 11.803
6 H ILE 2 HN ILE 2 1.694 5.060 9.225
7 HA ILE 2 HA ILE 2 1.291 2.265 8.734
8 HB ILE 2 HB ILE 2 -1.043 3.184 9.443
9 1HG1 ILE 2 HG12 ILE 2 -0.985 1.730 6.812
10 2HG1 ILE 2 HG11 ILE 2 -0.386 0.975 8.286
11 1HG2 ILE 2 HG21 ILE 2 -0.964 4.122 6.561
12 2HG2 ILE 2 HG23 ILE 2 -2.403 4.052 7.577
13 3HG2 ILE 2 HG22 ILE 2 -1.092 5.159 7.982
14 1HD1 ILE 2 HD12 ILE 2 -3.076 2.298 8.334
15 2HD1 ILE 2 HD11 ILE 2 -2.926 0.701 7.603
16 3HD1 ILE 2 HD13 ILE 2 -2.482 0.943 9.291
17 H VAL 3 HN VAL 3 0.748 5.497 7.269
18 HA VAL 3 HA VAL 3 1.950 4.531 4.731
19 HB VAL 3 HB VAL 3 0.860 7.281 5.408
20 1HG1 VAL 3 HG12 VAL 3 1.758 5.894 2.888
21 2HG1 VAL 3 HG11 VAL 3 0.590 7.213 2.820
22 3HG1 VAL 3 HG13 VAL 3 2.200 7.494 3.483
23 1HG2 VAL 3 HG21 VAL 3 -0.448 4.742 4.509
24 2HG2 VAL 3 HG23 VAL 3 -1.068 6.001 5.577
25 3HG2 VAL 3 HG22 VAL 3 -1.032 6.262 3.832
26 H GLU 4 HN GLU 4 2.393 7.385 6.846
27 HA GLU 4 HA GLU 4 4.961 8.087 5.842
28 1HB GLU 4 HB2 GLU 4 3.705 8.587 8.554
29 2HB GLU 4 HB1 GLU 4 5.196 9.349 8.001
30 1HG GLU 4 HG2 GLU 4 4.113 10.666 6.444
31 2HG GLU 4 HG1 GLU 4 2.807 9.505 6.214
32 H GLN 5 HN GLN 5 4.014 5.506 7.951
33 HA GLN 5 HA GLN 5 6.265 5.119 9.575
34 1HB GLN 5 HB2 GLN 5 4.043 3.750 9.349
35 2HB GLN 5 HB1 GLN 5 4.965 2.784 8.196
36 1HG GLN 5 HG2 GLN 5 5.199 1.766 10.381
37 2HG GLN 5 HG1 GLN 5 6.742 2.506 9.955
38 1HE2 GLN 5 HE22 GLN 5 6.596 4.043 13.146
39 2HE2 GLN 5 HE21 GLN 5 7.388 2.904 12.167
40 H CYS 6 HN CYS 6 5.762 3.568 6.361
41 HA CYS 6 HA CYS 6 8.738 3.575 6.065
42 1HB CYS 6 HB2 CYS 6 6.738 1.400 5.652
43 2HB CYS 6 HB1 CYS 6 8.083 1.492 4.515
44 H CYS 7 HN CYS 7 6.891 5.622 5.150
45 HA CYS 7 HA CYS 7 6.197 5.289 2.409
46 1HB CYS 7 HB2 CYS 7 6.046 7.371 4.329
47 2HB CYS 7 HB1 CYS 7 6.929 8.037 2.961
48 H THR 8 HN THR 8 9.140 6.575 3.935
49 HA THR 8 HA THR 8 10.415 6.961 1.308
50 HB THR 8 HB THR 8 11.805 7.168 3.976
51 HG1 THR 8 HG1 THR 8 10.768 8.953 4.400
52 1HG2 THR 8 HG21 THR 8 12.722 7.482 1.437
53 2HG2 THR 8 HG23 THR 8 12.192 9.127 1.790
54 3HG2 THR 8 HG22 THR 8 13.385 8.343 2.825
55 H SER 9 HN SER 9 10.534 4.704 4.019
56 HA SER 9 HA SER 9 12.747 3.203 2.732
57 1HB SER 9 HB2 SER 9 11.309 2.424 5.268
58 2HB SER 9 HB1 SER 9 12.946 2.011 4.770
59 HG SER 9 HG SER 9 13.473 4.230 4.982
60 H ILE 10 HN ILE 10 12.266 0.630 3.088
61 HA ILE 10 HA ILE 10 9.641 0.147 1.729
62 HB ILE 10 HB ILE 10 12.061 -1.661 1.541
63 1HG1 ILE 10 HG12 ILE 10 11.263 0.508 -0.428
64 2HG1 ILE 10 HG11 ILE 10 12.597 0.663 0.714
65 1HG2 ILE 10 HG23 ILE 10 9.526 -1.279 -0.072
66 2HG2 ILE 10 HG22 ILE 10 10.864 -2.307 -0.587
67 3HG2 ILE 10 HG21 ILE 10 9.974 -2.688 0.888
68 1HD1 ILE 10 HD11 ILE 10 13.635 -1.379 -0.263
69 2HD1 ILE 10 HD13 ILE 10 12.332 -1.445 -1.450
70 3HD1 ILE 10 HD12 ILE 10 13.457 -0.087 -1.451
71 H CYS 11 HN CYS 11 8.354 -0.433 3.461
72 HA CYS 11 HA CYS 11 9.342 -2.200 5.575
73 1HB CYS 11 HB2 CYS 11 6.942 -0.578 5.051
74 2HB CYS 11 HB1 CYS 11 6.576 -2.123 5.817
75 H SER 12 HN SER 12 7.565 -4.079 6.082
76 HA SER 12 HA SER 12 7.705 -5.842 3.708
77 1HB SER 12 HB2 SER 12 6.585 -6.801 6.301
78 2HB SER 12 HB1 SER 12 7.659 -7.618 5.173
79 HG SER 12 HG SER 12 8.491 -6.728 7.307
80 H LEU 13 HN LEU 13 5.828 -7.003 2.969
81 HA LEU 13 HA LEU 13 3.491 -5.447 2.616
82 1HB LEU 13 HB2 LEU 13 4.158 -7.322 1.148
83 2HB LEU 13 HB1 LEU 13 3.794 -8.460 2.443
84 HG LEU 13 HG LEU 13 1.436 -7.655 2.448
85 1HD1 LEU 13 HD13 LEU 13 2.607 -5.675 0.633
86 2HD1 LEU 13 HD12 LEU 13 1.152 -6.422 -0.027
87 3HD1 LEU 13 HD11 LEU 13 1.096 -5.616 1.539
88 1HD2 LEU 13 HD22 LEU 13 2.471 -9.533 0.920
89 2HD2 LEU 13 HD21 LEU 13 0.807 -9.010 0.655
90 3HD2 LEU 13 HD23 LEU 13 2.099 -8.406 -0.384
91 H TYR 14 HN TYR 14 4.391 -7.465 5.292
92 HA TYR 14 HA TYR 14 1.910 -8.302 6.277
93 1HB TYR 14 HB2 TYR 14 3.001 -8.820 8.251
94 2HB TYR 14 HB1 TYR 14 4.362 -8.694 7.149
95 HD1 TYR 14 HD2 TYR 14 4.931 -5.892 6.882
96 HD2 TYR 14 HD1 TYR 14 3.555 -8.029 10.341
97 HE1 TYR 14 HE2 TYR 14 5.925 -4.155 8.350
98 HE2 TYR 14 HE1 TYR 14 4.544 -6.293 11.811
99 HH TYR 14 HH TYR 14 5.227 -3.969 11.702
100 H GLN 15 HN GLN 15 3.214 -5.026 6.337
101 HA GLN 15 HA GLN 15 1.249 -4.117 8.308
102 1HB GLN 15 HB2 GLN 15 2.119 -1.877 7.887
103 2HB GLN 15 HB1 GLN 15 3.463 -3.000 8.071
104 1HG GLN 15 HG2 GLN 15 3.575 -3.179 5.571
105 2HG GLN 15 HG1 GLN 15 2.343 -1.923 5.469
106 1HE2 GLN 15 HE22 GLN 15 4.999 0.410 5.430
107 2HE2 GLN 15 HE21 GLN 15 3.691 -0.261 4.580
108 H LEU 16 HN LEU 16 1.642 -3.845 4.778
109 HA LEU 16 HA LEU 16 -0.773 -2.331 4.353
110 1HB LEU 16 HB2 LEU 16 1.071 -3.947 2.625
111 2HB LEU 16 HB1 LEU 16 -0.498 -3.463 1.979
112 HG LEU 16 HG LEU 16 1.264 -1.439 3.341
113 1HD1 LEU 16 HD11 LEU 16 1.436 -2.362 0.458
114 2HD1 LEU 16 HD13 LEU 16 2.165 -0.876 1.071
115 3HD1 LEU 16 HD12 LEU 16 2.714 -2.442 1.671
116 1HD2 LEU 16 HD21 LEU 16 -1.289 -1.346 2.277
117 2HD2 LEU 16 HD23 LEU 16 -0.245 0.054 2.521
118 3HD2 LEU 16 HD22 LEU 16 -0.306 -0.736 0.946
119 H GLU 17 HN GLU 17 -0.227 -5.649 5.146
120 HA GLU 17 HA GLU 17 -2.448 -6.892 3.869
121 1HB GLU 17 HB2 GLU 17 -0.737 -7.468 6.239
122 2HB GLU 17 HB1 GLU 17 -2.279 -8.321 6.138
123 1HG GLU 17 HG2 GLU 17 -0.514 -8.193 3.713
124 2HG GLU 17 HG1 GLU 17 -0.138 -9.346 4.993
125 H ASN 18 HN ASN 18 -2.345 -4.585 6.450
126 HA ASN 18 HA ASN 18 -5.037 -5.303 7.438
127 1HB ASN 18 HB2 ASN 18 -3.092 -3.120 8.250
128 2HB ASN 18 HB1 ASN 18 -4.642 -3.430 9.035
129 1HD2 ASN 18 HD22 ASN 18 -1.499 -5.528 10.257
130 2HD2 ASN 18 HD21 ASN 18 -1.408 -4.060 9.413
131 H TYR 19 HN TYR 19 -4.539 -4.220 4.654
132 HA TYR 19 HA TYR 19 -6.019 -1.643 4.865
133 1HB TYR 19 HB2 TYR 19 -4.058 -2.761 2.915
134 2HB TYR 19 HB1 TYR 19 -5.321 -1.712 2.277
135 HD1 TYR 19 HD2 TYR 19 -2.997 -1.833 5.237
136 HD2 TYR 19 HD1 TYR 19 -4.860 0.566 2.197
137 HE1 TYR 19 HE2 TYR 19 -1.768 0.150 6.057
138 HE2 TYR 19 HE1 TYR 19 -3.633 2.555 3.016
139 HH TYR 19 HH TYR 19 -1.068 2.591 4.631
140 H CYS 20 HN CYS 20 -6.306 -4.958 3.825
141 HA CYS 20 HA CYS 20 -8.519 -4.501 1.989
142 1HB CYS 20 HB2 CYS 20 -7.620 -7.038 3.390
143 2HB CYS 20 HB1 CYS 20 -8.826 -6.967 2.109
144 H ASN 21 HN ASN 21 -8.338 -4.229 5.327
145 HA ASN 21 HA ASN 21 -10.847 -5.461 6.068
146 1HB ASN 21 HB2 ASN 21 -10.594 -4.060 8.140
147 2HB ASN 21 HB1 ASN 21 -9.176 -5.044 7.778
148 1HD2 ASN 21 HD22 ASN 21 -7.426 -1.968 8.275
149 2HD2 ASN 21 HD21 ASN 21 -7.847 -3.444 8.998
150 1H PHE 1 HT2 PHE 1 6.504 -6.235 1.212
151 2H PHE 1 HT1 PHE 1 6.804 -4.578 0.975
152 3H PHE 1 HT3 PHE 1 5.253 -5.103 1.422
153 HA PHE 1 HA PHE 1 4.847 -6.089 -0.658
154 1HB PHE 1 HB2 PHE 1 5.116 -3.428 -0.381
155 2HB PHE 1 HB1 PHE 1 6.373 -3.696 -1.588
156 HD1 PHE 1 HD1 PHE 1 2.758 -4.173 -0.854
157 HD2 PHE 1 HD2 PHE 1 5.828 -4.236 -3.856
158 HE1 PHE 1 HE1 PHE 1 1.029 -4.353 -2.622
159 HE2 PHE 1 HE2 PHE 1 4.105 -4.425 -5.621
160 HZ PHE 1 HZ PHE 1 1.702 -4.478 -5.008
161 H VAL 2 HN VAL 2 5.778 -6.358 -2.949
162 HA VAL 2 HA VAL 2 7.862 -8.185 -3.075
163 HB VAL 2 HB VAL 2 7.405 -6.159 -5.278
164 1HG1 VAL 2 HG11 VAL 2 9.145 -8.242 -5.139
165 2HG1 VAL 2 HG13 VAL 2 7.731 -9.057 -5.808
166 3HG1 VAL 2 HG12 VAL 2 8.429 -7.669 -6.644
167 1HG2 VAL 2 HG23 VAL 2 5.543 -8.151 -4.141
168 2HG2 VAL 2 HG22 VAL 2 5.209 -6.757 -5.171
169 3HG2 VAL 2 HG21 VAL 2 5.755 -8.275 -5.888
170 H ASN 3 HN ASN 3 8.283 -4.790 -4.139
171 HA ASN 3 HA ASN 3 10.680 -4.343 -2.632
172 1HB ASN 3 HB2 ASN 3 12.272 -4.329 -4.585
173 2HB ASN 3 HB1 ASN 3 11.727 -5.941 -4.119
174 1HD2 ASN 3 HD22 ASN 3 10.245 -6.588 -7.246
175 2HD2 ASN 3 HD21 ASN 3 10.736 -7.190 -5.736
176 H GLN 4 HN GLN 4 8.231 -2.980 -3.327
177 HA GLN 4 HA GLN 4 9.358 -0.614 -4.770
178 1HB GLN 4 HB2 GLN 4 6.545 -1.740 -4.781
179 2HB GLN 4 HB1 GLN 4 6.931 -0.118 -5.359
180 1HG GLN 4 HG2 GLN 4 7.981 -0.888 -7.241
181 2HG GLN 4 HG1 GLN 4 8.629 -2.309 -6.422
182 1HE2 GLN 4 HE22 GLN 4 4.766 -2.517 -7.844
183 2HE2 GLN 4 HE21 GLN 4 5.381 -1.015 -7.352
184 H HIS 5 HN HIS 5 8.832 1.433 -3.880
185 HA HIS 5 HA HIS 5 8.372 1.412 -0.999
186 1HB HIS 5 HB2 HIS 5 8.925 3.549 -3.051
187 2HB HIS 5 HB1 HIS 5 8.465 3.978 -1.402
188 HD1 HIS 5 HD1 HIS 5 11.171 2.178 -3.338
189 HD2 HIS 5 HD2 HIS 5 10.466 3.557 0.529
190 HE1 HIS 5 HE1 HIS 5 13.358 1.939 -2.081
191 H LEU 6 HN LEU 6 6.791 3.394 -0.292
192 HA LEU 6 HA LEU 6 4.258 3.241 -1.845
193 1HB LEU 6 HB2 LEU 6 3.852 3.059 1.086
194 2HB LEU 6 HB1 LEU 6 2.985 2.259 -0.212
195 HG LEU 6 HG LEU 6 5.767 1.345 0.446
196 1HD1 LEU 6 HD11 LEU 6 3.268 0.613 1.989
197 2HD1 LEU 6 HD13 LEU 6 4.834 -0.182 2.146
198 3HD1 LEU 6 HD12 LEU 6 4.650 1.506 2.626
199 1HD2 LEU 6 HD21 LEU 6 3.212 -0.004 -0.477
200 2HD2 LEU 6 HD23 LEU 6 4.600 0.388 -1.490
201 3HD2 LEU 6 HD22 LEU 6 4.749 -0.830 -0.225
202 H CYS 7 HN CYS 7 3.259 5.253 -1.882
203 HA CYS 7 HA CYS 7 3.134 7.053 0.271
204 1HB CYS 7 HB2 CYS 7 5.723 7.056 -0.740
205 2HB CYS 7 HB1 CYS 7 4.987 8.449 -1.523
206 H GLY 8 HN GLY 8 3.973 7.905 -3.103
207 1HA GLY 8 HA2 GLY 8 1.571 9.527 -3.336
208 2HA GLY 8 HA1 GLY 8 2.682 9.138 -4.654
209 H SER 9 HN SER 9 1.705 7.959 -6.226
210 HA SER 9 HA SER 9 -0.762 6.489 -5.734
211 1HB SER 9 HB2 SER 9 -0.399 5.708 -8.113
212 2HB SER 9 HB1 SER 9 -0.453 7.458 -7.917
213 HG SER 9 HG SER 9 1.629 5.801 -8.645
214 H HIS 10 HN HIS 10 2.509 5.760 -5.165
215 HA HIS 10 HA HIS 10 2.683 3.017 -5.881
216 1HB HIS 10 HB2 HIS 10 3.970 4.590 -3.627
217 2HB HIS 10 HB1 HIS 10 4.413 2.932 -4.042
218 HD1 HIS 10 HD1 HIS 10 4.751 2.793 -6.923
219 HD2 HIS 10 HD2 HIS 10 5.715 6.302 -4.889
220 HE1 HIS 10 HE1 HIS 10 6.334 4.081 -8.426
221 H LEU 11 HN LEU 11 1.485 4.593 -2.916
222 HA LEU 11 HA LEU 11 1.033 2.222 -1.408
223 1HB LEU 11 HB2 LEU 11 0.944 4.465 -0.394
224 2HB LEU 11 HB1 LEU 11 -0.496 4.845 -1.337
225 HG LEU 11 HG LEU 11 -1.693 2.965 -0.226
226 1HD1 LEU 11 HD13 LEU 11 0.858 2.774 1.403
227 2HD1 LEU 11 HD12 LEU 11 -0.646 1.929 1.774
228 3HD1 LEU 11 HD11 LEU 11 0.234 1.551 0.294
229 1HD2 LEU 11 HD23 LEU 11 -1.443 5.419 0.703
230 2HD2 LEU 11 HD22 LEU 11 -2.199 4.176 1.702
231 3HD2 LEU 11 HD21 LEU 11 -0.517 4.628 1.980
232 H VAL 12 HN VAL 12 -1.342 4.108 -3.330
233 HA VAL 12 HA VAL 12 -3.556 2.429 -3.071
234 HB VAL 12 HB VAL 12 -2.753 3.807 -5.649
235 1HG1 VAL 12 HG12 VAL 12 -5.309 2.742 -4.465
236 2HG1 VAL 12 HG11 VAL 12 -5.361 4.099 -5.592
237 3HG1 VAL 12 HG13 VAL 12 -4.681 2.555 -6.103
238 1HG2 VAL 12 HG22 VAL 12 -3.672 4.845 -3.006
239 2HG2 VAL 12 HG21 VAL 12 -2.650 5.614 -4.224
240 3HG2 VAL 12 HG23 VAL 12 -4.399 5.562 -4.445
241 H GLU 13 HN GLU 13 -1.121 2.202 -5.697
242 HA GLU 13 HA GLU 13 -2.175 -0.118 -6.937
243 1HB GLU 13 HB2 GLU 13 0.530 1.167 -6.822
244 2HB GLU 13 HB1 GLU 13 0.384 -0.438 -7.541
245 1HG GLU 13 HG2 GLU 13 -1.636 0.645 -8.837
246 2HG GLU 13 HG1 GLU 13 -0.823 2.159 -8.445
247 H ALA 14 HN ALA 14 -0.117 0.219 -4.099
248 HA ALA 14 HA ALA 14 0.656 -2.552 -3.920
249 1HB ALA 14 HB3 ALA 14 1.514 -0.343 -2.664
250 2HB ALA 14 HB2 ALA 14 0.381 -0.918 -1.440
251 3HB ALA 14 HB1 ALA 14 1.712 -1.949 -1.963
252 H LEU 15 HN LEU 15 -2.106 -0.697 -2.745
253 HA LEU 15 HA LEU 15 -3.143 -2.787 -1.035
254 1HB LEU 15 HB2 LEU 15 -4.776 -0.612 -2.365
255 2HB LEU 15 HB1 LEU 15 -5.121 -1.452 -0.856
256 HG LEU 15 HG LEU 15 -2.815 0.449 -1.337
257 1HD1 LEU 15 HD11 LEU 15 -5.499 0.690 -0.043
258 2HD1 LEU 15 HD13 LEU 15 -4.143 1.610 0.613
259 3HD1 LEU 15 HD12 LEU 15 -4.642 1.846 -1.065
260 1HD2 LEU 15 HD22 LEU 15 -3.653 -1.168 1.075
261 2HD2 LEU 15 HD21 LEU 15 -2.100 -1.216 0.238
262 3HD2 LEU 15 HD23 LEU 15 -2.556 0.211 1.170
263 H GLU 16 HN GLU 16 -3.489 -1.946 -4.436
264 HA GLU 16 HA GLU 16 -5.700 -3.710 -4.999
265 1HB GLU 16 HB2 GLU 16 -4.682 -1.778 -6.444
266 2HB GLU 16 HB1 GLU 16 -3.572 -3.024 -7.020
267 1HG GLU 16 HG2 GLU 16 -5.886 -4.375 -7.271
268 2HG GLU 16 HG1 GLU 16 -6.500 -2.735 -7.480
269 H LEU 17 HN LEU 17 -2.199 -4.093 -4.880
270 HA LEU 17 HA LEU 17 -2.118 -6.705 -6.104
271 1HB LEU 17 HB2 LEU 17 -0.235 -4.861 -5.287
272 2HB LEU 17 HB1 LEU 17 -0.038 -6.144 -4.096
273 HG LEU 17 HG LEU 17 -0.136 -7.703 -6.217
274 1HD1 LEU 17 HD13 LEU 17 -0.567 -5.480 -7.577
275 2HD1 LEU 17 HD12 LEU 17 1.188 -5.332 -7.490
276 3HD1 LEU 17 HD11 LEU 17 0.460 -6.745 -8.254
277 1HD2 LEU 17 HD21 LEU 17 1.829 -6.928 -4.559
278 2HD2 LEU 17 HD23 LEU 17 2.150 -7.918 -5.983
279 3HD2 LEU 17 HD22 LEU 17 2.424 -6.178 -6.040
280 H VAL 18 HN VAL 18 -2.407 -5.583 -2.740
281 HA VAL 18 HA VAL 18 -2.251 -8.244 -1.600
282 HB VAL 18 HB VAL 18 -3.484 -5.751 -0.391
283 1HG1 VAL 18 HG11 VAL 18 -2.652 -8.444 0.635
284 2HG1 VAL 18 HG13 VAL 18 -2.488 -7.042 1.694
285 3HG1 VAL 18 HG12 VAL 18 -4.069 -7.481 1.049
286 1HG2 VAL 18 HG23 VAL 18 -0.671 -6.592 -0.871
287 2HG2 VAL 18 HG22 VAL 18 -1.351 -4.972 -0.712
288 3HG2 VAL 18 HG21 VAL 18 -1.029 -5.936 0.727
289 H CYS 19 HN CYS 19 -5.058 -6.018 -1.577
290 HA CYS 19 HA CYS 19 -6.948 -8.127 -1.114
291 1HB CYS 19 HB2 CYS 19 -7.653 -5.501 -2.438
292 2HB CYS 19 HB1 CYS 19 -8.667 -6.508 -1.414
293 H GLY 20 HN GLY 20 -6.760 -6.100 -4.075
294 1HA GLY 20 HA2 GLY 20 -6.327 -7.294 -6.244
295 2HA GLY 20 HA1 GLY 20 -7.364 -8.580 -5.634
296 H GLU 21 HN GLU 21 -9.398 -6.820 -4.503
297 HA GLU 21 HA GLU 21 -10.777 -6.150 -7.032
298 1HB GLU 21 HB2 GLU 21 -11.672 -7.299 -4.718
299 2HB GLU 21 HB1 GLU 21 -12.151 -5.621 -4.464
300 1HG GLU 21 HG2 GLU 21 -13.988 -6.288 -5.661
301 2HG GLU 21 HG1 GLU 21 -12.938 -5.913 -7.027
302 H ARG 22 HN ARG 22 -12.084 -4.063 -7.047
303 HA ARG 22 HA ARG 22 -10.300 -1.830 -6.456
304 1HB ARG 22 HB2 ARG 22 -12.966 -2.157 -7.795
305 2HB ARG 22 HB1 ARG 22 -12.479 -0.550 -7.254
306 1HG ARG 22 HG2 ARG 22 -10.398 -0.721 -8.549
307 2HG ARG 22 HG1 ARG 22 -10.841 -2.347 -9.068
308 1HD ARG 22 HD2 ARG 22 -13.061 -0.700 -9.672
309 2HD ARG 22 HD1 ARG 22 -11.640 0.200 -10.189
310 HE ARG 22 HE ARG 22 -12.782 -2.048 -11.528
311 1HH1 ARG 22 HH21 ARG 22 -9.637 -0.880 -10.564
312 2HH1 ARG 22 HH22 ARG 22 -8.803 -1.957 -11.627
313 1HH2 ARG 22 HH11 ARG 22 -11.670 -3.401 -12.908
314 2HH2 ARG 22 HH12 ARG 22 -9.939 -3.362 -12.950
315 H GLY 23 HN GLY 23 -13.719 -2.438 -5.577
316 1HA GLY 23 HA2 GLY 23 -13.553 -0.615 -3.304
317 2HA GLY 23 HA1 GLY 23 -14.935 -1.633 -3.718
318 H GLY 24 HN GLY 24 -11.810 -1.585 -2.091
319 1HA GLY 24 HA2 GLY 24 -12.713 -3.646 -0.224
320 2HA GLY 24 HA1 GLY 24 -11.409 -4.185 -1.287
321 H PHE 25 HN PHE 25 -9.957 -1.754 -1.468
322 HA PHE 25 HA PHE 25 -9.004 -1.480 1.354
323 1HB PHE 25 HB2 PHE 25 -6.776 -0.948 0.297
324 2HB PHE 25 HB1 PHE 25 -7.334 -2.589 0.021
325 HD1 PHE 25 HD2 PHE 25 -7.069 0.786 -1.522
326 HD2 PHE 25 HD1 PHE 25 -7.801 -3.398 -2.173
327 HE1 PHE 25 HE2 PHE 25 -6.935 1.144 -3.971
328 HE2 PHE 25 HE1 PHE 25 -7.661 -3.038 -4.623
329 HZ PHE 25 HZ PHE 25 -7.230 -0.769 -5.522
330 H TYR 26 HN TYR 26 -7.416 0.623 1.278
331 HA TYR 26 HA TYR 26 -9.063 2.908 1.317
332 1HB TYR 26 HB2 TYR 26 -7.029 2.994 2.531
333 2HB TYR 26 HB1 TYR 26 -6.079 2.470 1.150
334 HD1 TYR 26 HD2 TYR 26 -8.665 5.177 1.358
335 HD2 TYR 26 HD1 TYR 26 -4.523 4.179 0.800
336 HE1 TYR 26 HE2 TYR 26 -8.173 7.542 0.795
337 HE2 TYR 26 HE1 TYR 26 -4.031 6.547 0.236
338 HH TYR 26 HH TYR 26 -5.291 8.523 -0.651
339 H THR 27 HN THR 27 -10.245 3.323 -0.547
340 HA THR 27 HA THR 27 -8.704 3.702 -3.081
341 HB THR 27 HB THR 27 -10.928 3.416 -4.208
342 HG1 THR 27 HG1 THR 27 -11.759 2.583 -1.631
343 1HG2 THR 27 HG22 THR 27 -9.196 1.523 -3.384
344 2HG2 THR 27 HG21 THR 27 -10.636 0.989 -2.518
345 3HG2 THR 27 HG23 THR 27 -10.670 1.141 -4.274
346 HA PRO 28 HA PRO 28 -9.789 7.977 -1.761
347 1HB PRO 28 HB2 PRO 28 -7.877 8.938 -3.682
348 2HB PRO 28 HB1 PRO 28 -7.751 8.959 -1.918
349 1HG PRO 28 HG2 PRO 28 -6.327 7.276 -3.772
350 2HG PRO 28 HG1 PRO 28 -6.183 7.323 -2.010
351 1HD PRO 28 HD2 PRO 28 -7.406 5.283 -3.617
352 2HD PRO 28 HD1 PRO 28 -7.291 5.351 -1.849
353 H LYS 29 HN LYS 29 -11.848 7.752 -2.846
354 HA LYS 29 HA LYS 29 -11.953 9.124 -5.439
355 1HB LYS 29 HB2 LYS 29 -13.302 7.302 -6.501
356 2HB LYS 29 HB1 LYS 29 -11.630 6.833 -6.197
357 1HG LYS 29 HG2 LYS 29 -12.201 5.321 -4.575
358 2HG LYS 29 HG1 LYS 29 -13.559 6.292 -4.004
359 1HD LYS 29 HD2 LYS 29 -14.569 4.402 -5.024
360 2HD LYS 29 HD1 LYS 29 -14.703 5.684 -6.231
361 1HE LYS 29 HE2 LYS 29 -12.292 4.689 -6.920
362 2HE LYS 29 HE1 LYS 29 -13.022 3.230 -6.253
363 1HZ LYS 29 HZ3 LYS 29 -14.437 4.935 -8.211
364 2HZ LYS 29 HZ2 LYS 29 -13.401 3.679 -8.695
365 3HZ LYS 29 HZ1 LYS 29 -14.781 3.336 -7.768
No H/Q in entry = 365
Start of MODEL 11
1 1H GLY 1 HT3 GLY 1 1.684 7.114 11.782
2 2H GLY 1 HT2 GLY 1 2.644 7.764 10.540
3 3H GLY 1 HT1 GLY 1 1.794 8.795 11.589
4 1HA GLY 1 HA2 GLY 1 -0.303 8.088 10.722
5 2HA GLY 1 HA1 GLY 1 0.735 8.587 9.385
6 H ILE 2 HN ILE 2 -0.008 7.227 7.769
7 HA ILE 2 HA ILE 2 0.350 4.300 8.261
8 HB ILE 2 HB ILE 2 -2.061 4.873 8.179
9 1HG1 ILE 2 HG12 ILE 2 -2.378 3.508 5.825
10 2HG1 ILE 2 HG11 ILE 2 -0.701 3.125 6.214
11 1HG2 ILE 2 HG22 ILE 2 -1.699 6.886 6.665
12 2HG2 ILE 2 HG21 ILE 2 -1.583 5.749 5.323
13 3HG2 ILE 2 HG23 ILE 2 -3.075 5.864 6.255
14 1HD1 ILE 2 HD11 ILE 2 -2.742 2.947 8.397
15 2HD1 ILE 2 HD13 ILE 2 -2.689 1.661 7.191
16 3HD1 ILE 2 HD12 ILE 2 -1.264 2.013 8.168
17 H VAL 3 HN VAL 3 0.226 6.889 5.811
18 HA VAL 3 HA VAL 3 1.738 5.204 3.904
19 HB VAL 3 HB VAL 3 0.832 8.079 3.572
20 1HG1 VAL 3 HG13 VAL 3 1.919 5.930 1.776
21 2HG1 VAL 3 HG12 VAL 3 0.827 7.147 1.114
22 3HG1 VAL 3 HG11 VAL 3 2.350 7.638 1.856
23 1HG2 VAL 3 HG21 VAL 3 -0.644 5.496 3.410
24 2HG2 VAL 3 HG23 VAL 3 -1.246 7.113 3.776
25 3HG2 VAL 3 HG22 VAL 3 -0.931 6.647 2.105
26 H GLU 4 HN GLU 4 2.217 7.895 6.096
27 HA GLU 4 HA GLU 4 4.807 8.664 5.030
28 1HB GLU 4 HB2 GLU 4 3.069 9.915 6.650
29 2HB GLU 4 HB1 GLU 4 4.125 9.212 7.875
30 1HG GLU 4 HG2 GLU 4 5.093 11.324 7.383
31 2HG GLU 4 HG1 GLU 4 6.079 10.157 6.500
32 H GLN 5 HN GLN 5 3.816 5.913 6.729
33 HA GLN 5 HA GLN 5 5.863 5.513 8.640
34 1HB GLN 5 HB2 GLN 5 3.726 4.074 7.932
35 2HB GLN 5 HB1 GLN 5 4.939 3.189 7.007
36 1HG GLN 5 HG2 GLN 5 5.015 2.072 9.051
37 2HG GLN 5 HG1 GLN 5 6.299 3.265 9.255
38 1HE2 GLN 5 HE22 GLN 5 3.097 3.380 11.696
39 2HE2 GLN 5 HE21 GLN 5 3.358 2.113 10.596
40 H CYS 6 HN CYS 6 5.773 4.083 5.344
41 HA CYS 6 HA CYS 6 8.761 4.261 5.357
42 1HB CYS 6 HB2 CYS 6 8.642 2.253 3.773
43 2HB CYS 6 HB1 CYS 6 8.271 1.947 5.461
44 H CYS 7 HN CYS 7 6.715 6.183 4.292
45 HA CYS 7 HA CYS 7 6.482 6.089 1.476
46 1HB CYS 7 HB2 CYS 7 6.033 7.996 3.532
47 2HB CYS 7 HB1 CYS 7 7.058 8.797 2.346
48 H THR 8 HN THR 8 9.222 6.957 3.500
49 HA THR 8 HA THR 8 10.853 7.430 1.037
50 HB THR 8 HB THR 8 11.694 8.248 3.814
51 HG1 THR 8 HG1 THR 8 9.845 9.344 3.677
52 1HG2 THR 8 HG22 THR 8 12.472 8.809 0.993
53 2HG2 THR 8 HG21 THR 8 12.615 10.135 2.147
54 3HG2 THR 8 HG23 THR 8 13.487 8.627 2.425
55 H SER 9 HN SER 9 10.620 5.675 4.089
56 HA SER 9 HA SER 9 13.146 4.222 3.480
57 1HB SER 9 HB2 SER 9 11.597 4.818 5.916
58 2HB SER 9 HB1 SER 9 12.191 3.162 5.838
59 HG SER 9 HG SER 9 13.828 4.341 6.701
60 H ILE 10 HN ILE 10 12.671 1.729 4.485
61 HA ILE 10 HA ILE 10 10.527 0.719 2.665
62 HB ILE 10 HB ILE 10 12.450 -1.191 3.912
63 1HG1 ILE 10 HG12 ILE 10 13.958 0.661 3.269
64 2HG1 ILE 10 HG11 ILE 10 14.178 -0.725 2.202
65 1HG2 ILE 10 HG22 ILE 10 11.299 -0.832 1.131
66 2HG2 ILE 10 HG21 ILE 10 12.284 -2.200 1.656
67 3HG2 ILE 10 HG23 ILE 10 10.692 -1.935 2.369
68 1HD1 ILE 10 HD12 ILE 10 12.192 0.694 0.913
69 2HD1 ILE 10 HD11 ILE 10 13.198 1.978 1.585
70 3HD1 ILE 10 HD13 ILE 10 13.908 0.768 0.515
71 H CYS 11 HN CYS 11 9.242 -1.145 3.479
72 HA CYS 11 HA CYS 11 9.124 -1.435 6.427
73 1HB CYS 11 HB2 CYS 11 6.576 -1.130 6.285
74 2HB CYS 11 HB1 CYS 11 7.539 0.336 6.193
75 H SER 12 HN SER 12 7.137 -3.029 6.867
76 HA SER 12 HA SER 12 7.705 -5.432 5.274
77 1HB SER 12 HB2 SER 12 5.794 -6.280 6.943
78 2HB SER 12 HB1 SER 12 7.461 -6.093 7.473
79 HG SER 12 HG SER 12 5.378 -4.949 8.497
80 H LEU 13 HN LEU 13 6.721 -5.317 3.283
81 HA LEU 13 HA LEU 13 4.141 -4.112 2.848
82 1HB LEU 13 HB2 LEU 13 6.156 -5.558 1.243
83 2HB LEU 13 HB1 LEU 13 4.497 -5.733 0.672
84 HG LEU 13 HG LEU 13 5.601 -3.786 -0.371
85 1HD1 LEU 13 HD12 LEU 13 3.089 -3.874 0.657
86 2HD1 LEU 13 HD11 LEU 13 3.710 -2.432 1.458
87 3HD1 LEU 13 HD13 LEU 13 3.702 -2.529 -0.303
88 1HD2 LEU 13 HD22 LEU 13 7.030 -3.397 1.772
89 2HD2 LEU 13 HD21 LEU 13 6.497 -1.989 0.854
90 3HD2 LEU 13 HD23 LEU 13 5.649 -2.451 2.329
91 H TYR 14 HN TYR 14 5.021 -7.212 4.084
92 HA TYR 14 HA TYR 14 2.728 -8.653 3.069
93 1HB TYR 14 HB2 TYR 14 3.403 -10.448 4.453
94 2HB TYR 14 HB1 TYR 14 4.907 -9.658 4.001
95 HD1 TYR 14 HD1 TYR 14 2.484 -10.232 6.724
96 HD2 TYR 14 HD2 TYR 14 6.247 -8.458 5.651
97 HE1 TYR 14 HE1 TYR 14 3.033 -9.950 9.124
98 HE2 TYR 14 HE2 TYR 14 6.795 -8.175 8.054
99 HH TYR 14 HH TYR 14 5.523 -9.742 10.427
100 H GLN 15 HN GLN 15 3.136 -6.320 5.579
101 HA GLN 15 HA GLN 15 0.772 -7.163 7.098
102 1HB GLN 15 HB2 GLN 15 2.886 -5.914 7.978
103 2HB GLN 15 HB1 GLN 15 2.098 -4.474 7.335
104 1HG GLN 15 HG2 GLN 15 0.033 -5.150 8.653
105 2HG GLN 15 HG1 GLN 15 1.036 -6.365 9.445
106 1HE2 GLN 15 HE22 GLN 15 1.755 -3.825 11.819
107 2HE2 GLN 15 HE21 GLN 15 0.953 -5.295 11.538
108 H LEU 16 HN LEU 16 1.168 -5.589 4.146
109 HA LEU 16 HA LEU 16 -0.733 -3.456 4.383
110 1HB LEU 16 HB2 LEU 16 0.717 -4.804 2.219
111 2HB LEU 16 HB1 LEU 16 -0.903 -4.304 1.736
112 HG LEU 16 HG LEU 16 1.191 -2.508 3.006
113 1HD1 LEU 16 HD13 LEU 16 1.178 -3.377 0.439
114 2HD1 LEU 16 HD12 LEU 16 0.094 -1.993 0.295
115 3HD1 LEU 16 HD11 LEU 16 1.732 -1.770 0.908
116 1HD2 LEU 16 HD22 LEU 16 -1.706 -2.177 2.331
117 2HD2 LEU 16 HD21 LEU 16 -0.782 -1.487 3.665
118 3HD2 LEU 16 HD23 LEU 16 -0.633 -0.805 2.046
119 H GLU 17 HN GLU 17 -1.169 -6.864 4.388
120 HA GLU 17 HA GLU 17 -3.676 -7.138 3.090
121 1HB GLU 17 HB2 GLU 17 -2.129 -8.644 5.123
122 2HB GLU 17 HB1 GLU 17 -3.867 -8.961 5.094
123 1HG GLU 17 HG2 GLU 17 -3.537 -9.154 2.510
124 2HG GLU 17 HG1 GLU 17 -1.836 -9.383 2.914
125 H ASN 18 HN ASN 18 -2.872 -5.561 6.079
126 HA ASN 18 HA ASN 18 -5.697 -5.610 6.990
127 1HB ASN 18 HB2 ASN 18 -3.651 -5.945 8.543
128 2HB ASN 18 HB1 ASN 18 -3.412 -4.206 8.373
129 1HD2 ASN 18 HD22 ASN 18 -6.985 -5.350 10.076
130 2HD2 ASN 18 HD21 ASN 18 -6.382 -6.232 8.758
131 H TYR 19 HN TYR 19 -4.877 -4.148 4.557
132 HA TYR 19 HA TYR 19 -5.423 -1.343 5.439
133 1HB TYR 19 HB2 TYR 19 -3.802 -2.490 3.189
134 2HB TYR 19 HB1 TYR 19 -4.552 -0.912 2.982
135 HD1 TYR 19 HD2 TYR 19 -2.842 -2.681 5.825
136 HD2 TYR 19 HD1 TYR 19 -3.075 0.837 3.371
137 HE1 TYR 19 HE2 TYR 19 -1.019 -1.641 7.143
138 HE2 TYR 19 HE1 TYR 19 -1.252 1.882 4.694
139 HH TYR 19 HH TYR 19 0.724 0.950 6.140
140 H CYS 20 HN CYS 20 -7.183 -3.851 4.506
141 HA CYS 20 HA CYS 20 -8.525 -2.848 2.144
142 1HB CYS 20 HB2 CYS 20 -8.639 -5.208 3.818
143 2HB CYS 20 HB1 CYS 20 -10.257 -4.614 3.470
144 H ASN 21 HN ASN 21 -9.541 -3.157 5.507
145 HA ASN 21 HA ASN 21 -11.570 -1.026 5.022
146 1HB ASN 21 HB2 ASN 21 -11.710 -3.512 6.377
147 2HB ASN 21 HB1 ASN 21 -11.780 -2.276 7.633
148 1HD2 ASN 21 HD22 ASN 21 -14.822 -2.519 4.883
149 2HD2 ASN 21 HD21 ASN 21 -13.338 -3.274 4.556
150 1H PHE 1 HT3 PHE 1 7.428 -3.856 -5.191
151 2H PHE 1 HT2 PHE 1 5.865 -4.485 -4.979
152 3H PHE 1 HT1 PHE 1 6.081 -2.960 -5.690
153 HA PHE 1 HA PHE 1 6.903 -2.028 -3.670
154 1HB PHE 1 HB2 PHE 1 4.872 -2.418 -2.189
155 2HB PHE 1 HB1 PHE 1 4.532 -1.876 -3.828
156 HD1 PHE 1 HD2 PHE 1 4.763 -4.950 -1.708
157 HD2 PHE 1 HD1 PHE 1 3.155 -3.145 -5.258
158 HE1 PHE 1 HE2 PHE 1 3.350 -6.949 -2.083
159 HE2 PHE 1 HE1 PHE 1 1.741 -5.146 -5.634
160 HZ PHE 1 HZ PHE 1 1.839 -7.047 -4.044
161 H VAL 2 HN VAL 2 6.836 -5.510 -3.654
162 HA VAL 2 HA VAL 2 7.168 -6.133 -0.938
163 HB VAL 2 HB VAL 2 8.727 -7.377 -3.221
164 1HG1 VAL 2 HG13 VAL 2 9.312 -7.962 -0.812
165 2HG1 VAL 2 HG12 VAL 2 7.687 -8.632 -0.669
166 3HG1 VAL 2 HG11 VAL 2 8.828 -9.323 -1.824
167 1HG2 VAL 2 HG21 VAL 2 5.858 -7.614 -2.343
168 2HG2 VAL 2 HG23 VAL 2 6.515 -7.529 -3.977
169 3HG2 VAL 2 HG22 VAL 2 6.673 -9.013 -3.039
170 H ASN 3 HN ASN 3 9.392 -4.512 -3.089
171 HA ASN 3 HA ASN 3 11.182 -3.963 -0.807
172 1HB ASN 3 HB2 ASN 3 13.199 -4.637 -2.130
173 2HB ASN 3 HB1 ASN 3 12.168 -6.005 -1.712
174 1HD2 ASN 3 HD22 ASN 3 11.576 -6.858 -5.074
175 2HD2 ASN 3 HD21 ASN 3 11.468 -7.296 -3.438
176 H GLN 4 HN GLN 4 9.340 -2.484 -2.681
177 HA GLN 4 HA GLN 4 11.348 -0.704 -3.977
178 1HB GLN 4 HB2 GLN 4 8.535 -1.453 -4.633
179 2HB GLN 4 HB1 GLN 4 9.052 0.186 -5.033
180 1HG GLN 4 HG2 GLN 4 9.696 -0.933 -6.962
181 2HG GLN 4 HG1 GLN 4 11.172 -1.078 -6.004
182 1HE2 GLN 4 HE22 GLN 4 9.975 -4.467 -7.305
183 2HE2 GLN 4 HE21 GLN 4 10.148 -2.973 -8.090
184 H HIS 5 HN HIS 5 8.094 0.473 -3.252
185 HA HIS 5 HA HIS 5 8.699 1.641 -0.699
186 1HB HIS 5 HB2 HIS 5 9.545 3.107 -3.126
187 2HB HIS 5 HB1 HIS 5 8.591 4.062 -1.992
188 HD1 HIS 5 HD1 HIS 5 11.983 2.925 -2.583
189 HD2 HIS 5 HD2 HIS 5 9.716 3.809 0.799
190 HE1 HIS 5 HE1 HIS 5 13.618 3.170 -0.666
191 H LEU 6 HN LEU 6 6.912 2.894 0.103
192 HA LEU 6 HA LEU 6 4.458 2.702 -1.603
193 1HB LEU 6 HB2 LEU 6 4.524 2.815 1.423
194 2HB LEU 6 HB1 LEU 6 3.163 2.388 0.390
195 HG LEU 6 HG LEU 6 5.729 0.787 0.501
196 1HD1 LEU 6 HD11 LEU 6 4.232 0.979 2.659
197 2HD1 LEU 6 HD13 LEU 6 3.142 -0.079 1.762
198 3HD1 LEU 6 HD12 LEU 6 4.785 -0.608 2.122
199 1HD2 LEU 6 HD21 LEU 6 4.064 0.724 -1.506
200 2HD2 LEU 6 HD23 LEU 6 4.579 -0.809 -0.802
201 3HD2 LEU 6 HD22 LEU 6 2.999 -0.137 -0.394
202 H CYS 7 HN CYS 7 4.855 4.847 -2.488
203 HA CYS 7 HA CYS 7 3.894 6.981 -0.692
204 1HB CYS 7 HB2 CYS 7 6.576 6.753 -0.881
205 2HB CYS 7 HB1 CYS 7 6.275 7.729 -2.317
206 H GLY 8 HN GLY 8 2.486 8.253 -1.787
207 1HA GLY 8 HA2 GLY 8 1.584 9.457 -3.634
208 2HA GLY 8 HA1 GLY 8 2.812 8.732 -4.674
209 H SER 9 HN SER 9 1.593 7.753 -6.264
210 HA SER 9 HA SER 9 -0.879 6.326 -5.629
211 1HB SER 9 HB2 SER 9 0.503 5.940 -8.245
212 2HB SER 9 HB1 SER 9 -1.208 6.190 -7.904
213 HG SER 9 HG SER 9 -0.896 8.244 -8.175
214 H HIS 10 HN HIS 10 2.392 5.501 -5.357
215 HA HIS 10 HA HIS 10 2.361 2.782 -6.278
216 1HB HIS 10 HB2 HIS 10 4.049 4.202 -4.201
217 2HB HIS 10 HB1 HIS 10 4.345 2.545 -4.729
218 HD1 HIS 10 HD1 HIS 10 4.735 2.268 -7.411
219 HD2 HIS 10 HD2 HIS 10 5.157 6.119 -5.873
220 HE1 HIS 10 HE1 HIS 10 5.996 3.603 -9.157
221 H LEU 11 HN LEU 11 1.318 4.328 -3.302
222 HA LEU 11 HA LEU 11 1.124 1.900 -1.743
223 1HB LEU 11 HB2 LEU 11 1.239 4.120 -0.678
224 2HB LEU 11 HB1 LEU 11 -0.295 4.563 -1.420
225 HG LEU 11 HG LEU 11 -1.427 2.748 -0.183
226 1HD1 LEU 11 HD13 LEU 11 1.303 2.313 1.068
227 2HD1 LEU 11 HD12 LEU 11 -0.190 1.535 1.588
228 3HD1 LEU 11 HD11 LEU 11 0.471 1.191 -0.009
229 1HD2 LEU 11 HD23 LEU 11 0.151 4.854 1.257
230 2HD2 LEU 11 HD22 LEU 11 -1.594 4.724 1.031
231 3HD2 LEU 11 HD21 LEU 11 -0.777 3.693 2.205
232 H VAL 12 HN VAL 12 -1.253 3.819 -3.588
233 HA VAL 12 HA VAL 12 -3.524 2.202 -3.026
234 HB VAL 12 HB VAL 12 -2.947 3.751 -5.569
235 1HG1 VAL 12 HG12 VAL 12 -5.475 2.745 -4.245
236 2HG1 VAL 12 HG11 VAL 12 -5.484 4.002 -5.481
237 3HG1 VAL 12 HG13 VAL 12 -4.891 2.387 -5.869
238 1HG2 VAL 12 HG21 VAL 12 -3.682 4.569 -2.791
239 2HG2 VAL 12 HG23 VAL 12 -2.734 5.433 -4.004
240 3HG2 VAL 12 HG22 VAL 12 -4.494 5.401 -4.117
241 H GLU 13 HN GLU 13 -1.144 1.997 -5.674
242 HA GLU 13 HA GLU 13 -2.374 -0.179 -7.061
243 1HB GLU 13 HB2 GLU 13 0.122 1.297 -7.176
244 2HB GLU 13 HB1 GLU 13 0.427 -0.425 -7.388
245 1HG GLU 13 HG2 GLU 13 -1.515 -0.389 -9.077
246 2HG GLU 13 HG1 GLU 13 -1.364 1.369 -9.031
247 H ALA 14 HN ALA 14 -0.023 -0.076 -4.406
248 HA ALA 14 HA ALA 14 0.488 -2.899 -4.320
249 1HB ALA 14 HB1 ALA 14 1.627 -0.792 -3.101
250 2HB ALA 14 HB3 ALA 14 0.570 -1.324 -1.791
251 3HB ALA 14 HB2 ALA 14 1.765 -2.432 -2.467
252 H LEU 15 HN LEU 15 -2.067 -0.880 -2.976
253 HA LEU 15 HA LEU 15 -3.080 -2.863 -1.131
254 1HB LEU 15 HB2 LEU 15 -4.602 -0.608 -2.459
255 2HB LEU 15 HB1 LEU 15 -5.077 -1.464 -1.002
256 HG LEU 15 HG LEU 15 -3.166 0.772 -1.357
257 1HD1 LEU 15 HD12 LEU 15 -5.298 0.805 -0.067
258 2HD1 LEU 15 HD11 LEU 15 -4.582 -0.313 1.083
259 3HD1 LEU 15 HD13 LEU 15 -3.901 1.301 0.879
260 1HD2 LEU 15 HD23 LEU 15 -2.466 -1.608 0.361
261 2HD2 LEU 15 HD22 LEU 15 -1.423 -0.721 -0.749
262 3HD2 LEU 15 HD21 LEU 15 -1.929 0.021 0.772
263 H GLU 16 HN GLU 16 -3.720 -2.073 -4.524
264 HA GLU 16 HA GLU 16 -5.994 -3.838 -4.794
265 1HB GLU 16 HB2 GLU 16 -5.082 -1.890 -6.352
266 2HB GLU 16 HB1 GLU 16 -4.212 -3.219 -7.121
267 1HG GLU 16 HG2 GLU 16 -6.244 -4.388 -7.613
268 2HG GLU 16 HG1 GLU 16 -7.188 -3.315 -6.578
269 H LEU 17 HN LEU 17 -2.504 -4.247 -5.108
270 HA LEU 17 HA LEU 17 -2.726 -6.918 -6.276
271 1HB LEU 17 HB2 LEU 17 -0.680 -4.997 -5.985
272 2HB LEU 17 HB1 LEU 17 -0.156 -6.381 -5.030
273 HG LEU 17 HG LEU 17 -0.930 -7.745 -7.147
274 1HD1 LEU 17 HD11 LEU 17 -1.635 -5.321 -8.078
275 2HD1 LEU 17 HD13 LEU 17 0.038 -5.352 -8.634
276 3HD1 LEU 17 HD12 LEU 17 -1.085 -6.613 -9.144
277 1HD2 LEU 17 HD23 LEU 17 1.424 -7.330 -6.138
278 2HD2 LEU 17 HD22 LEU 17 1.331 -7.829 -7.826
279 3HD2 LEU 17 HD21 LEU 17 1.605 -6.135 -7.422
280 H VAL 18 HN VAL 18 -2.600 -5.577 -3.050
281 HA VAL 18 HA VAL 18 -1.935 -8.185 -1.838
282 HB VAL 18 HB VAL 18 -2.693 -5.567 -0.505
283 1HG1 VAL 18 HG13 VAL 18 -2.970 -7.583 0.909
284 2HG1 VAL 18 HG12 VAL 18 -1.306 -8.051 0.554
285 3HG1 VAL 18 HG11 VAL 18 -1.631 -6.581 1.473
286 1HG2 VAL 18 HG22 VAL 18 -0.486 -5.936 -2.048
287 2HG2 VAL 18 HG21 VAL 18 -0.498 -4.908 -0.616
288 3HG2 VAL 18 HG23 VAL 18 0.110 -6.559 -0.509
289 H CYS 19 HN CYS 19 -4.567 -5.852 -1.141
290 HA CYS 19 HA CYS 19 -6.335 -7.684 0.058
291 1HB CYS 19 HB2 CYS 19 -6.607 -5.027 -1.252
292 2HB CYS 19 HB1 CYS 19 -8.091 -5.959 -1.068
293 H GLY 20 HN GLY 20 -7.170 -6.347 -3.146
294 1HA GLY 20 HA2 GLY 20 -7.136 -8.167 -5.014
295 2HA GLY 20 HA1 GLY 20 -8.151 -9.066 -3.888
296 H GLU 21 HN GLU 21 -9.743 -6.887 -2.933
297 HA GLU 21 HA GLU 21 -11.749 -6.780 -4.973
298 1HB GLU 21 HB2 GLU 21 -11.328 -5.234 -2.409
299 2HB GLU 21 HB1 GLU 21 -12.723 -4.953 -3.454
300 1HG GLU 21 HG2 GLU 21 -13.303 -7.361 -3.297
301 2HG GLU 21 HG1 GLU 21 -11.942 -7.603 -2.202
302 H ARG 22 HN ARG 22 -12.658 -4.473 -5.618
303 HA ARG 22 HA ARG 22 -10.384 -3.026 -6.877
304 1HB ARG 22 HB2 ARG 22 -13.109 -3.678 -7.674
305 2HB ARG 22 HB1 ARG 22 -12.809 -1.948 -7.827
306 1HG ARG 22 HG2 ARG 22 -10.893 -2.327 -9.235
307 2HG ARG 22 HG1 ARG 22 -10.937 -4.062 -8.922
308 1HD ARG 22 HD2 ARG 22 -13.494 -3.476 -9.883
309 2HD ARG 22 HD1 ARG 22 -12.430 -2.497 -10.886
310 HE ARG 22 HE ARG 22 -12.806 -5.310 -11.112
311 1HH1 ARG 22 HH21 ARG 22 -10.176 -3.015 -11.048
312 2HH1 ARG 22 HH22 ARG 22 -9.039 -4.150 -11.681
313 1HH2 ARG 22 HH11 ARG 22 -11.313 -6.737 -11.955
314 2HH2 ARG 22 HH12 ARG 22 -9.675 -6.232 -12.200
315 H GLY 23 HN GLY 23 -13.320 -2.448 -4.958
316 1HA GLY 23 HA2 GLY 23 -12.157 0.192 -4.156
317 2HA GLY 23 HA1 GLY 23 -13.895 -0.084 -4.305
318 H GLY 24 HN GLY 24 -11.418 -2.189 -2.863
319 1HA GLY 24 HA2 GLY 24 -12.949 -2.054 -0.294
320 2HA GLY 24 HA1 GLY 24 -12.108 -3.500 -0.860
321 H PHE 25 HN PHE 25 -10.861 -0.175 -0.962
322 HA PHE 25 HA PHE 25 -9.253 -0.305 1.398
323 1HB PHE 25 HB2 PHE 25 -7.038 -0.779 0.376
324 2HB PHE 25 HB1 PHE 25 -8.120 -2.154 0.201
325 HD1 PHE 25 HD2 PHE 25 -6.489 0.654 -1.568
326 HD2 PHE 25 HD1 PHE 25 -9.007 -2.804 -1.962
327 HE1 PHE 25 HE2 PHE 25 -6.236 0.751 -4.030
328 HE2 PHE 25 HE1 PHE 25 -8.742 -2.710 -4.425
329 HZ PHE 25 HZ PHE 25 -7.362 -0.933 -5.459
330 H TYR 26 HN TYR 26 -7.041 1.139 0.646
331 HA TYR 26 HA TYR 26 -7.801 3.809 0.448
332 1HB TYR 26 HB2 TYR 26 -5.472 2.629 0.788
333 2HB TYR 26 HB1 TYR 26 -5.313 2.847 -0.946
334 HD1 TYR 26 HD2 TYR 26 -6.887 5.581 -1.000
335 HD2 TYR 26 HD1 TYR 26 -3.679 4.038 1.415
336 HE1 TYR 26 HE2 TYR 26 -6.082 7.883 -0.601
337 HE2 TYR 26 HE1 TYR 26 -2.880 6.352 1.813
338 HH TYR 26 HH TYR 26 -3.063 8.599 0.587
339 H THR 27 HN THR 27 -9.429 4.166 -1.140
340 HA THR 27 HA THR 27 -8.462 4.009 -3.962
341 HB THR 27 HB THR 27 -11.098 3.854 -4.359
342 HG1 THR 27 HG1 THR 27 -12.158 3.215 -2.669
343 1HG2 THR 27 HG22 THR 27 -9.154 2.220 -4.899
344 2HG2 THR 27 HG21 THR 27 -9.668 1.366 -3.443
345 3HG2 THR 27 HG23 THR 27 -10.787 1.562 -4.792
346 HA PRO 28 HA PRO 28 -9.198 8.449 -3.052
347 1HB PRO 28 HB2 PRO 28 -8.105 9.045 -5.654
348 2HB PRO 28 HB1 PRO 28 -7.393 9.364 -4.067
349 1HG PRO 28 HG2 PRO 28 -6.614 7.358 -5.980
350 2HG PRO 28 HG1 PRO 28 -5.894 7.695 -4.401
351 1HD PRO 28 HD2 PRO 28 -7.490 5.437 -5.138
352 2HD PRO 28 HD1 PRO 28 -6.833 5.820 -3.538
353 H LYS 29 HN LYS 29 -10.901 9.748 -3.750
354 HA LYS 29 HA LYS 29 -12.956 8.576 -5.361
355 1HB LYS 29 HB2 LYS 29 -12.482 11.196 -4.044
356 2HB LYS 29 HB1 LYS 29 -13.619 11.204 -5.392
357 1HG LYS 29 HG2 LYS 29 -15.127 10.581 -3.804
358 2HG LYS 29 HG1 LYS 29 -14.447 8.975 -4.062
359 1HD LYS 29 HD2 LYS 29 -13.445 8.945 -2.025
360 2HD LYS 29 HD1 LYS 29 -12.891 10.612 -2.174
361 1HE LYS 29 HE2 LYS 29 -15.807 10.036 -1.708
362 2HE LYS 29 HE1 LYS 29 -14.678 10.032 -0.353
363 1HZ LYS 29 HZ3 LYS 29 -13.939 12.268 -1.141
364 2HZ LYS 29 HZ2 LYS 29 -15.250 12.261 -2.222
365 3HZ LYS 29 HZ1 LYS 29 -15.528 12.215 -0.546
No H/Q in entry = 365
Start of MODEL 12
1 1H GLY 1 HT3 GLY 1 -0.543 6.773 12.072
2 2H GLY 1 HT2 GLY 1 1.037 7.384 11.938
3 3H GLY 1 HT1 GLY 1 -0.244 8.416 12.371
4 1HA GLY 1 HA2 GLY 1 -1.187 8.353 10.238
5 2HA GLY 1 HA1 GLY 1 0.546 8.582 9.997
6 H ILE 2 HN ILE 2 -1.981 6.881 8.824
7 HA ILE 2 HA ILE 2 -0.940 4.209 8.642
8 HB ILE 2 HB ILE 2 -3.323 4.758 8.261
9 1HG1 ILE 2 HG12 ILE 2 -2.441 3.702 5.615
10 2HG1 ILE 2 HG11 ILE 2 -1.914 2.826 7.051
11 1HG2 ILE 2 HG23 ILE 2 -2.816 6.911 7.013
12 2HG2 ILE 2 HG22 ILE 2 -2.444 5.914 5.606
13 3HG2 ILE 2 HG21 ILE 2 -4.070 5.902 6.291
14 1HD1 ILE 2 HD13 ILE 2 -4.794 3.607 6.549
15 2HD1 ILE 2 HD12 ILE 2 -4.122 2.040 6.096
16 3HD1 ILE 2 HD11 ILE 2 -4.182 2.517 7.794
17 H VAL 3 HN VAL 3 -0.761 7.011 6.428
18 HA VAL 3 HA VAL 3 1.047 5.500 4.642
19 HB VAL 3 HB VAL 3 0.158 8.387 4.405
20 1HG1 VAL 3 HG12 VAL 3 1.589 6.405 2.658
21 2HG1 VAL 3 HG11 VAL 3 0.579 7.642 1.908
22 3HG1 VAL 3 HG13 VAL 3 1.941 8.113 2.925
23 1HG2 VAL 3 HG23 VAL 3 -1.213 5.811 3.805
24 2HG2 VAL 3 HG22 VAL 3 -1.903 7.390 4.183
25 3HG2 VAL 3 HG21 VAL 3 -1.307 7.055 2.558
26 H GLU 4 HN GLU 4 1.324 7.572 7.367
27 HA GLU 4 HA GLU 4 3.993 8.570 6.582
28 1HB GLU 4 HB2 GLU 4 2.485 8.908 9.195
29 2HB GLU 4 HB1 GLU 4 3.933 9.786 8.703
30 1HG GLU 4 HG2 GLU 4 2.747 10.830 6.866
31 2HG GLU 4 HG1 GLU 4 1.316 9.847 7.178
32 H GLN 5 HN GLN 5 4.148 5.903 6.541
33 HA GLN 5 HA GLN 5 5.771 5.286 8.952
34 1HB GLN 5 HB2 GLN 5 3.327 4.319 8.989
35 2HB GLN 5 HB1 GLN 5 3.967 3.164 7.820
36 1HG GLN 5 HG2 GLN 5 5.355 2.164 9.354
37 2HG GLN 5 HG1 GLN 5 5.600 3.655 10.262
38 1HE2 GLN 5 HE22 GLN 5 3.299 2.549 12.683
39 2HE2 GLN 5 HE21 GLN 5 4.806 3.253 12.344
40 H CYS 6 HN CYS 6 4.735 4.182 5.714
41 HA CYS 6 HA CYS 6 7.516 3.154 5.302
42 1HB CYS 6 HB2 CYS 6 5.120 2.300 3.678
43 2HB CYS 6 HB1 CYS 6 6.679 1.498 3.820
44 H CYS 7 HN CYS 7 6.047 5.901 4.734
45 HA CYS 7 HA CYS 7 6.108 6.139 1.845
46 1HB CYS 7 HB2 CYS 7 4.764 7.639 3.332
47 2HB CYS 7 HB1 CYS 7 6.268 8.336 3.934
48 H THR 8 HN THR 8 8.410 6.757 4.460
49 HA THR 8 HA THR 8 10.380 8.040 2.764
50 HB THR 8 HB THR 8 11.026 6.604 5.333
51 HG1 THR 8 HG1 THR 8 10.060 8.152 6.459
52 1HG2 THR 8 HG23 THR 8 12.129 8.836 3.690
53 2HG2 THR 8 HG22 THR 8 12.300 8.955 5.442
54 3HG2 THR 8 HG21 THR 8 12.975 7.570 4.582
55 H SER 9 HN SER 9 10.351 4.808 4.325
56 HA SER 9 HA SER 9 12.067 3.847 2.066
57 1HB SER 9 HB2 SER 9 13.181 2.374 3.590
58 2HB SER 9 HB1 SER 9 13.134 3.949 4.378
59 HG SER 9 HG SER 9 12.222 2.851 5.929
60 H ILE 10 HN ILE 10 11.911 1.141 2.504
61 HA ILE 10 HA ILE 10 9.030 0.596 1.935
62 HB ILE 10 HB ILE 10 11.258 -1.394 1.506
63 1HG1 ILE 10 HG12 ILE 10 10.432 0.723 -0.510
64 2HG1 ILE 10 HG11 ILE 10 11.925 0.789 0.428
65 1HG2 ILE 10 HG21 ILE 10 8.558 -1.558 1.192
66 2HG2 ILE 10 HG23 ILE 10 9.037 -1.028 -0.421
67 3HG2 ILE 10 HG22 ILE 10 9.711 -2.511 0.258
68 1HD1 ILE 10 HD13 ILE 10 12.089 -1.739 -0.553
69 2HD1 ILE 10 HD12 ILE 10 11.209 -0.952 -1.863
70 3HD1 ILE 10 HD11 ILE 10 12.785 -0.337 -1.365
71 H CYS 11 HN CYS 11 7.850 -0.587 3.417
72 HA CYS 11 HA CYS 11 9.384 -1.754 5.690
73 1HB CYS 11 HB2 CYS 11 7.266 -1.607 6.962
74 2HB CYS 11 HB1 CYS 11 7.787 -0.041 6.349
75 H SER 12 HN SER 12 7.686 -3.547 6.754
76 HA SER 12 HA SER 12 7.952 -5.819 5.018
77 1HB SER 12 HB2 SER 12 7.719 -5.560 7.678
78 2HB SER 12 HB1 SER 12 6.039 -5.929 7.299
79 HG SER 12 HG SER 12 7.303 -7.813 7.659
80 H LEU 13 HN LEU 13 6.408 -6.977 3.874
81 HA LEU 13 HA LEU 13 4.168 -5.515 2.786
82 1HB LEU 13 HB2 LEU 13 5.484 -7.326 1.600
83 2HB LEU 13 HB1 LEU 13 4.713 -8.502 2.653
84 HG LEU 13 HG LEU 13 3.668 -8.219 0.349
85 1HD1 LEU 13 HD12 LEU 13 2.519 -8.768 2.797
86 2HD1 LEU 13 HD11 LEU 13 1.447 -7.535 2.131
87 3HD1 LEU 13 HD13 LEU 13 1.758 -9.016 1.226
88 1HD2 LEU 13 HD23 LEU 13 3.858 -5.569 0.720
89 2HD2 LEU 13 HD22 LEU 13 2.602 -6.280 -0.293
90 3HD2 LEU 13 HD21 LEU 13 2.232 -5.805 1.365
91 H TYR 14 HN TYR 14 4.565 -7.837 5.394
92 HA TYR 14 HA TYR 14 1.890 -8.666 5.735
93 1HB TYR 14 HB2 TYR 14 2.976 -9.873 7.300
94 2HB TYR 14 HB1 TYR 14 4.373 -8.817 7.187
95 HD1 TYR 14 HD2 TYR 14 4.475 -6.748 8.640
96 HD2 TYR 14 HD1 TYR 14 1.507 -9.804 9.174
97 HE1 TYR 14 HE2 TYR 14 4.010 -5.897 10.923
98 HE2 TYR 14 HE1 TYR 14 1.042 -8.954 11.458
99 HH TYR 14 HH TYR 14 2.048 -5.958 12.540
100 H GLN 15 HN GLN 15 3.308 -5.542 6.327
101 HA GLN 15 HA GLN 15 1.305 -4.616 8.207
102 1HB GLN 15 HB2 GLN 15 3.678 -3.571 6.959
103 2HB GLN 15 HB1 GLN 15 2.370 -2.412 6.729
104 1HG GLN 15 HG2 GLN 15 2.049 -2.117 9.029
105 2HG GLN 15 HG1 GLN 15 2.801 -3.661 9.432
106 1HE2 GLN 15 HE22 GLN 15 5.147 -0.677 10.000
107 2HE2 GLN 15 HE21 GLN 15 3.505 -0.868 10.387
108 H LEU 16 HN LEU 16 1.736 -4.230 4.678
109 HA LEU 16 HA LEU 16 -0.653 -2.695 4.273
110 1HB LEU 16 HB2 LEU 16 1.254 -4.196 2.559
111 2HB LEU 16 HB1 LEU 16 -0.349 -3.920 1.882
112 HG LEU 16 HG LEU 16 1.191 -1.672 3.168
113 1HD1 LEU 16 HD11 LEU 16 1.562 -2.933 0.478
114 2HD1 LEU 16 HD13 LEU 16 1.683 -1.179 0.607
115 3HD1 LEU 16 HD12 LEU 16 2.762 -2.209 1.550
116 1HD2 LEU 16 HD22 LEU 16 -1.388 -1.881 2.187
117 2HD2 LEU 16 HD21 LEU 16 -0.493 -0.371 2.357
118 3HD2 LEU 16 HD23 LEU 16 -0.516 -1.211 0.808
119 H GLU 17 HN GLU 17 -0.139 -6.095 4.804
120 HA GLU 17 HA GLU 17 -2.386 -7.219 3.507
121 1HB GLU 17 HB2 GLU 17 -0.589 -7.968 5.717
122 2HB GLU 17 HB1 GLU 17 -2.197 -8.680 5.845
123 1HG GLU 17 HG2 GLU 17 -0.784 -8.741 3.197
124 2HG GLU 17 HG1 GLU 17 -0.323 -9.901 4.445
125 H ASN 18 HN ASN 18 -2.213 -5.278 6.420
126 HA ASN 18 HA ASN 18 -5.051 -5.884 7.060
127 1HB ASN 18 HB2 ASN 18 -2.842 -4.439 8.529
128 2HB ASN 18 HB1 ASN 18 -4.522 -4.341 9.054
129 1HD2 ASN 18 HD22 ASN 18 -4.115 -7.343 10.846
130 2HD2 ASN 18 HD21 ASN 18 -4.675 -5.741 10.833
131 H TYR 19 HN TYR 19 -4.426 -4.404 4.645
132 HA TYR 19 HA TYR 19 -5.488 -1.699 5.361
133 1HB TYR 19 HB2 TYR 19 -3.670 -2.645 3.162
134 2HB TYR 19 HB1 TYR 19 -4.644 -1.196 2.931
135 HD1 TYR 19 HD2 TYR 19 -2.707 -2.670 5.799
136 HD2 TYR 19 HD1 TYR 19 -3.456 0.758 3.324
137 HE1 TYR 19 HE2 TYR 19 -1.079 -1.358 7.127
138 HE2 TYR 19 HE1 TYR 19 -1.824 2.072 4.651
139 HH TYR 19 HH TYR 19 -0.663 1.070 7.643
140 H CYS 20 HN CYS 20 -6.515 -4.646 4.160
141 HA CYS 20 HA CYS 20 -8.209 -3.646 1.998
142 1HB CYS 20 HB2 CYS 20 -8.233 -6.309 3.450
143 2HB CYS 20 HB1 CYS 20 -9.114 -5.940 1.968
144 H ASN 21 HN ASN 21 -8.426 -3.220 5.278
145 HA ASN 21 HA ASN 21 -11.290 -3.783 5.574
146 1HB ASN 21 HB2 ASN 21 -9.400 -3.842 7.402
147 2HB ASN 21 HB1 ASN 21 -9.705 -2.107 7.498
148 1HD2 ASN 21 HD22 ASN 21 -12.427 -4.723 9.016
149 2HD2 ASN 21 HD21 ASN 21 -11.030 -5.277 8.225
150 1H PHE 1 HT1 PHE 1 7.575 -8.160 -0.356
151 2H PHE 1 HT3 PHE 1 6.201 -9.124 -0.597
152 3H PHE 1 HT2 PHE 1 7.609 -9.413 -1.503
153 HA PHE 1 HA PHE 1 6.008 -8.286 -2.870
154 1HB PHE 1 HB2 PHE 1 4.926 -7.209 -0.796
155 2HB PHE 1 HB1 PHE 1 6.192 -5.999 -0.896
156 HD1 PHE 1 HD1 PHE 1 5.265 -7.164 -4.200
157 HD2 PHE 1 HD2 PHE 1 4.088 -4.508 -1.030
158 HE1 PHE 1 HE1 PHE 1 3.895 -5.866 -5.795
159 HE2 PHE 1 HE2 PHE 1 2.718 -3.215 -2.636
160 HZ PHE 1 HZ PHE 1 2.618 -3.892 -5.013
161 H VAL 2 HN VAL 2 7.104 -7.368 -4.580
162 HA VAL 2 HA VAL 2 9.841 -6.873 -4.580
163 HB VAL 2 HB VAL 2 9.445 -5.605 -6.697
164 1HG1 VAL 2 HG13 VAL 2 9.451 -8.131 -6.547
165 2HG1 VAL 2 HG12 VAL 2 7.690 -8.066 -6.471
166 3HG1 VAL 2 HG11 VAL 2 8.533 -7.482 -7.905
167 1HG2 VAL 2 HG23 VAL 2 7.275 -4.583 -5.762
168 2HG2 VAL 2 HG22 VAL 2 7.233 -5.121 -7.440
169 3HG2 VAL 2 HG21 VAL 2 6.507 -6.115 -6.177
170 H ASN 3 HN ASN 3 10.859 -4.642 -5.173
171 HA ASN 3 HA ASN 3 10.662 -2.915 -2.932
172 1HB ASN 3 HB2 ASN 3 11.970 -1.296 -4.338
173 2HB ASN 3 HB1 ASN 3 12.664 -2.915 -4.291
174 1HD2 ASN 3 HD22 ASN 3 12.081 -3.552 -7.749
175 2HD2 ASN 3 HD21 ASN 3 12.478 -4.250 -6.252
176 H GLN 4 HN GLN 4 8.503 -2.294 -2.580
177 HA GLN 4 HA GLN 4 7.451 -0.298 -4.540
178 1HB GLN 4 HB2 GLN 4 6.275 -2.665 -4.362
179 2HB GLN 4 HB1 GLN 4 5.567 -1.967 -2.907
180 1HG GLN 4 HG2 GLN 4 4.002 -1.216 -4.409
181 2HG GLN 4 HG1 GLN 4 5.172 0.092 -4.601
182 1HE2 GLN 4 HE22 GLN 4 5.863 -0.724 -7.954
183 2HE2 GLN 4 HE21 GLN 4 6.028 0.388 -6.682
184 H HIS 5 HN HIS 5 7.829 1.583 -3.416
185 HA HIS 5 HA HIS 5 7.617 1.743 -0.521
186 1HB HIS 5 HB2 HIS 5 7.936 3.815 -2.705
187 2HB HIS 5 HB1 HIS 5 7.809 4.252 -0.999
188 HD1 HIS 5 HD1 HIS 5 9.999 2.260 -3.367
189 HD2 HIS 5 HD2 HIS 5 10.146 3.825 0.493
190 HE1 HIS 5 HE1 HIS 5 12.374 1.933 -2.550
191 H LEU 6 HN LEU 6 5.844 2.341 0.676
192 HA LEU 6 HA LEU 6 3.274 2.554 -0.743
193 1HB LEU 6 HB2 LEU 6 3.827 2.609 2.237
194 2HB LEU 6 HB1 LEU 6 2.261 2.402 1.480
195 HG LEU 6 HG LEU 6 2.651 0.183 1.775
196 1HD1 LEU 6 HD13 LEU 6 3.053 0.553 -0.737
197 2HD1 LEU 6 HD12 LEU 6 4.761 0.324 -0.375
198 3HD1 LEU 6 HD11 LEU 6 3.615 -0.972 -0.053
199 1HD2 LEU 6 HD23 LEU 6 5.541 0.985 2.062
200 2HD2 LEU 6 HD22 LEU 6 4.444 0.349 3.282
201 3HD2 LEU 6 HD21 LEU 6 5.061 -0.709 2.018
202 H CYS 7 HN CYS 7 3.143 4.601 -1.651
203 HA CYS 7 HA CYS 7 2.353 6.777 -0.003
204 1HB CYS 7 HB2 CYS 7 5.047 6.526 0.172
205 2HB CYS 7 HB1 CYS 7 4.934 7.557 -1.255
206 H GLY 8 HN GLY 8 1.078 7.995 -1.296
207 1HA GLY 8 HA2 GLY 8 0.319 9.120 -3.227
208 2HA GLY 8 HA1 GLY 8 1.849 8.720 -4.010
209 H SER 9 HN SER 9 1.066 7.859 -5.930
210 HA SER 9 HA SER 9 -1.167 6.039 -6.067
211 1HB SER 9 HB2 SER 9 -0.002 5.519 -8.374
212 2HB SER 9 HB1 SER 9 -0.773 7.079 -8.104
213 HG SER 9 HG SER 9 1.981 6.423 -7.849
214 H HIS 10 HN HIS 10 2.140 5.595 -5.169
215 HA HIS 10 HA HIS 10 2.471 2.858 -6.000
216 1HB HIS 10 HB2 HIS 10 3.747 4.357 -3.686
217 2HB HIS 10 HB1 HIS 10 4.304 2.816 -4.343
218 HD1 HIS 10 HD1 HIS 10 4.002 6.471 -5.243
219 HD2 HIS 10 HD2 HIS 10 5.764 3.004 -6.743
220 HE1 HIS 10 HE1 HIS 10 5.518 7.200 -7.136
221 H LEU 11 HN LEU 11 1.205 4.381 -3.061
222 HA LEU 11 HA LEU 11 0.896 1.921 -1.601
223 1HB LEU 11 HB2 LEU 11 0.940 4.077 -0.440
224 2HB LEU 11 HB1 LEU 11 -0.506 4.598 -1.300
225 HG LEU 11 HG LEU 11 -1.774 2.731 -0.246
226 1HD1 LEU 11 HD11 LEU 11 0.791 1.733 0.334
227 2HD1 LEU 11 HD13 LEU 11 0.120 2.198 1.896
228 3HD1 LEU 11 HD12 LEU 11 -0.747 1.061 0.865
229 1HD2 LEU 11 HD22 LEU 11 -1.554 5.063 0.762
230 2HD2 LEU 11 HD21 LEU 11 -2.009 3.788 1.892
231 3HD2 LEU 11 HD23 LEU 11 -0.349 4.381 1.855
232 H VAL 12 HN VAL 12 -1.374 3.869 -3.558
233 HA VAL 12 HA VAL 12 -3.689 2.287 -3.166
234 HB VAL 12 HB VAL 12 -2.979 3.581 -5.807
235 1HG1 VAL 12 HG13 VAL 12 -5.477 2.733 -4.370
236 2HG1 VAL 12 HG12 VAL 12 -5.549 4.079 -5.510
237 3HG1 VAL 12 HG11 VAL 12 -5.023 2.486 -6.058
238 1HG2 VAL 12 HG23 VAL 12 -3.495 4.788 -3.142
239 2HG2 VAL 12 HG22 VAL 12 -2.650 5.462 -4.538
240 3HG2 VAL 12 HG21 VAL 12 -4.414 5.480 -4.480
241 H GLU 13 HN GLU 13 -1.221 1.977 -5.737
242 HA GLU 13 HA GLU 13 -2.353 -0.330 -6.980
243 1HB GLU 13 HB2 GLU 13 0.282 1.048 -6.993
244 2HB GLU 13 HB1 GLU 13 0.292 -0.646 -7.486
245 1HG GLU 13 HG2 GLU 13 -1.746 1.260 -8.617
246 2HG GLU 13 HG1 GLU 13 -0.126 1.165 -9.308
247 H ALA 14 HN ALA 14 -0.422 0.066 -4.091
248 HA ALA 14 HA ALA 14 0.447 -2.683 -3.880
249 1HB ALA 14 HB3 ALA 14 1.316 -0.512 -2.674
250 2HB ALA 14 HB2 ALA 14 0.052 -0.888 -1.501
251 3HB ALA 14 HB1 ALA 14 1.339 -2.051 -1.810
252 H LEU 15 HN LEU 15 -2.404 -0.884 -2.866
253 HA LEU 15 HA LEU 15 -3.443 -3.074 -1.222
254 1HB LEU 15 HB2 LEU 15 -5.047 -0.756 -2.322
255 2HB LEU 15 HB1 LEU 15 -5.367 -1.706 -0.872
256 HG LEU 15 HG LEU 15 -2.979 0.109 -1.270
257 1HD1 LEU 15 HD13 LEU 15 -5.158 1.301 -1.022
258 2HD1 LEU 15 HD12 LEU 15 -5.382 0.474 0.520
259 3HD1 LEU 15 HD11 LEU 15 -4.039 1.596 0.309
260 1HD2 LEU 15 HD23 LEU 15 -3.921 -1.609 1.024
261 2HD2 LEU 15 HD22 LEU 15 -2.352 -1.634 0.220
262 3HD2 LEU 15 HD21 LEU 15 -2.794 -0.269 1.248
263 H GLU 16 HN GLU 16 -3.631 -2.059 -4.563
264 HA GLU 16 HA GLU 16 -5.952 -3.676 -5.236
265 1HB GLU 16 HB2 GLU 16 -4.838 -1.645 -6.520
266 2HB GLU 16 HB1 GLU 16 -3.858 -2.917 -7.251
267 1HG GLU 16 HG2 GLU 16 -6.248 -4.077 -7.537
268 2HG GLU 16 HG1 GLU 16 -6.787 -2.397 -7.508
269 H LEU 17 HN LEU 17 -2.482 -4.158 -5.044
270 HA LEU 17 HA LEU 17 -2.562 -6.744 -6.425
271 1HB LEU 17 HB2 LEU 17 -0.578 -4.873 -5.909
272 2HB LEU 17 HB1 LEU 17 -0.196 -6.164 -4.772
273 HG LEU 17 HG LEU 17 -0.419 -7.789 -6.712
274 1HD1 LEU 17 HD11 LEU 17 -1.653 -5.873 -8.049
275 2HD1 LEU 17 HD13 LEU 17 -0.012 -5.416 -8.505
276 3HD1 LEU 17 HD12 LEU 17 -0.621 -7.023 -8.902
277 1HD2 LEU 17 HD22 LEU 17 1.695 -5.722 -6.342
278 2HD2 LEU 17 HD21 LEU 17 1.809 -7.478 -6.228
279 3HD2 LEU 17 HD23 LEU 17 1.790 -6.696 -7.809
280 H VAL 18 HN VAL 18 -2.563 -5.530 -3.119
281 HA VAL 18 HA VAL 18 -2.188 -8.179 -1.934
282 HB VAL 18 HB VAL 18 -3.092 -5.585 -0.642
283 1HG1 VAL 18 HG13 VAL 18 -2.400 -8.310 0.354
284 2HG1 VAL 18 HG12 VAL 18 -1.834 -6.936 1.305
285 3HG1 VAL 18 HG11 VAL 18 -3.558 -7.143 0.990
286 1HG2 VAL 18 HG23 VAL 18 -0.726 -5.886 -1.883
287 2HG2 VAL 18 HG22 VAL 18 -0.884 -4.985 -0.375
288 3HG2 VAL 18 HG21 VAL 18 -0.324 -6.656 -0.348
289 H CYS 19 HN CYS 19 -4.860 -5.835 -1.512
290 HA CYS 19 HA CYS 19 -6.783 -7.680 -0.609
291 1HB CYS 19 HB2 CYS 19 -7.307 -5.199 -2.272
292 2HB CYS 19 HB1 CYS 19 -8.462 -6.008 -1.214
293 H GLY 20 HN GLY 20 -7.023 -6.250 -3.894
294 1HA GLY 20 HA2 GLY 20 -6.853 -8.023 -5.766
295 2HA GLY 20 HA1 GLY 20 -8.052 -8.897 -4.815
296 H GLU 21 HN GLU 21 -9.755 -6.825 -4.038
297 HA GLU 21 HA GLU 21 -11.248 -6.404 -6.493
298 1HB GLU 21 HB2 GLU 21 -12.789 -5.099 -4.992
299 2HB GLU 21 HB1 GLU 21 -12.472 -6.741 -4.434
300 1HG GLU 21 HG2 GLU 21 -10.464 -4.921 -3.388
301 2HG GLU 21 HG1 GLU 21 -12.080 -4.343 -2.988
302 H ARG 22 HN ARG 22 -12.136 -4.059 -6.878
303 HA ARG 22 HA ARG 22 -9.776 -2.230 -6.933
304 1HB ARG 22 HB2 ARG 22 -10.948 -3.008 -9.104
305 2HB ARG 22 HB1 ARG 22 -12.263 -1.936 -8.619
306 1HG ARG 22 HG2 ARG 22 -11.129 -0.140 -9.364
307 2HG ARG 22 HG1 ARG 22 -9.764 -0.529 -8.322
308 1HD ARG 22 HD2 ARG 22 -8.566 -1.372 -10.039
309 2HD ARG 22 HD1 ARG 22 -9.926 -2.304 -10.653
310 HE ARG 22 HE ARG 22 -8.940 0.138 -11.746
311 1HH1 ARG 22 HH21 ARG 22 -12.005 -1.301 -10.892
312 2HH1 ARG 22 HH22 ARG 22 -12.908 -0.180 -11.845
313 1HH2 ARG 22 HH11 ARG 22 -10.140 1.544 -12.989
314 2HH2 ARG 22 HH12 ARG 22 -11.865 1.406 -13.034
315 H GLY 23 HN GLY 23 -11.600 -2.574 -4.652
316 1HA GLY 23 HA2 GLY 23 -12.026 0.167 -3.968
317 2HA GLY 23 HA1 GLY 23 -13.567 -0.550 -4.449
318 H GLY 24 HN GLY 24 -10.911 -2.230 -2.827
319 1HA GLY 24 HA2 GLY 24 -12.660 -2.521 -0.416
320 2HA GLY 24 HA1 GLY 24 -11.732 -3.875 -1.073
321 H PHE 25 HN PHE 25 -10.799 -0.459 -0.552
322 HA PHE 25 HA PHE 25 -9.183 -0.905 1.758
323 1HB PHE 25 HB2 PHE 25 -6.921 -0.781 0.603
324 2HB PHE 25 HB1 PHE 25 -7.770 -2.312 0.416
325 HD1 PHE 25 HD2 PHE 25 -7.178 0.975 -1.277
326 HD2 PHE 25 HD1 PHE 25 -8.277 -3.153 -1.719
327 HE1 PHE 25 HE2 PHE 25 -7.103 1.219 -3.741
328 HE2 PHE 25 HE1 PHE 25 -8.196 -2.908 -4.183
329 HZ PHE 25 HZ PHE 25 -7.611 -0.722 -5.197
330 H TYR 26 HN TYR 26 -7.215 0.901 1.584
331 HA TYR 26 HA TYR 26 -8.462 3.430 1.679
332 1HB TYR 26 HB2 TYR 26 -6.381 3.212 2.788
333 2HB TYR 26 HB1 TYR 26 -5.594 2.532 1.374
334 HD1 TYR 26 HD2 TYR 26 -7.666 5.628 1.844
335 HD2 TYR 26 HD1 TYR 26 -3.874 3.957 0.719
336 HE1 TYR 26 HE2 TYR 26 -6.860 7.888 1.212
337 HE2 TYR 26 HE1 TYR 26 -3.066 6.215 0.086
338 HH TYR 26 HH TYR 26 -3.631 8.611 0.715
339 H THR 27 HN THR 27 -9.539 4.291 -0.034
340 HA THR 27 HA THR 27 -8.168 4.294 -2.692
341 HB THR 27 HB THR 27 -10.705 4.734 -3.408
342 HG1 THR 27 HG1 THR 27 -11.331 4.648 -1.154
343 1HG2 THR 27 HG21 THR 27 -9.077 2.796 -3.940
344 2HG2 THR 27 HG23 THR 27 -9.901 1.932 -2.643
345 3HG2 THR 27 HG22 THR 27 -10.806 2.467 -4.059
346 HA PRO 28 HA PRO 28 -8.195 8.684 -1.299
347 1HB PRO 28 HB2 PRO 28 -6.371 9.230 -3.468
348 2HB PRO 28 HB1 PRO 28 -6.044 9.252 -1.730
349 1HG PRO 28 HG2 PRO 28 -5.191 7.294 -3.652
350 2HG PRO 28 HG1 PRO 28 -4.878 7.316 -1.911
351 1HD PRO 28 HD2 PRO 28 -6.641 5.570 -3.355
352 2HD PRO 28 HD1 PRO 28 -6.345 5.616 -1.609
353 H LYS 29 HN LYS 29 -10.083 9.594 -2.011
354 HA LYS 29 HA LYS 29 -10.882 9.418 -4.836
355 1HB LYS 29 HB2 LYS 29 -12.463 9.278 -2.809
356 2HB LYS 29 HB1 LYS 29 -12.257 11.026 -2.679
357 1HG LYS 29 HG2 LYS 29 -14.066 11.021 -4.094
358 2HG LYS 29 HG1 LYS 29 -12.798 10.861 -5.310
359 1HD LYS 29 HD2 LYS 29 -13.054 8.294 -4.872
360 2HD LYS 29 HD1 LYS 29 -14.622 8.744 -4.200
361 1HE LYS 29 HE2 LYS 29 -15.176 9.912 -6.318
362 2HE LYS 29 HE1 LYS 29 -13.629 9.399 -6.990
363 1HZ LYS 29 HZ2 LYS 29 -14.426 7.063 -6.335
364 2HZ LYS 29 HZ1 LYS 29 -15.975 7.760 -6.284
365 3HZ LYS 29 HZ3 LYS 29 -15.083 7.784 -7.726
No H/Q in entry = 365
Start of MODEL 13
1 1H GLY 1 HT1 GLY 1 1.100 2.764 10.474
2 2H GLY 1 HT3 GLY 1 2.477 3.489 11.147
3 3H GLY 1 HT2 GLY 1 0.944 4.173 11.410
4 1HA GLY 1 HA2 GLY 1 0.749 4.919 9.220
5 2HA GLY 1 HA1 GLY 1 2.405 5.300 9.695
6 H ILE 2 HN ILE 2 0.966 4.444 7.062
7 HA ILE 2 HA ILE 2 2.819 2.220 6.367
8 HB ILE 2 HB ILE 2 0.041 2.628 5.901
9 1HG1 ILE 2 HG12 ILE 2 1.178 0.527 6.549
10 2HG1 ILE 2 HG11 ILE 2 0.120 0.313 5.156
11 1HG2 ILE 2 HG22 ILE 2 1.671 2.541 3.351
12 2HG2 ILE 2 HG21 ILE 2 -0.006 2.002 3.426
13 3HG2 ILE 2 HG23 ILE 2 0.397 3.683 3.778
14 1HD1 ILE 2 HD13 ILE 2 2.905 1.066 4.507
15 2HD1 ILE 2 HD12 ILE 2 2.709 -0.532 5.225
16 3HD1 ILE 2 HD11 ILE 2 1.850 -0.119 3.740
17 H VAL 3 HN VAL 3 1.454 5.253 5.100
18 HA VAL 3 HA VAL 3 3.486 5.394 2.988
19 HB VAL 3 HB VAL 3 1.632 7.636 3.801
20 1HG1 VAL 3 HG11 VAL 3 3.338 6.912 1.482
21 2HG1 VAL 3 HG13 VAL 3 1.761 7.600 1.087
22 3HG1 VAL 3 HG12 VAL 3 2.887 8.502 2.100
23 1HG2 VAL 3 HG23 VAL 3 0.993 5.225 2.061
24 2HG2 VAL 3 HG22 VAL 3 0.219 5.639 3.592
25 3HG2 VAL 3 HG21 VAL 3 -0.009 6.672 2.179
26 H GLU 4 HN GLU 4 2.698 7.285 5.916
27 HA GLU 4 HA GLU 4 4.993 9.016 5.674
28 1HB GLU 4 HB2 GLU 4 4.454 9.626 8.034
29 2HB GLU 4 HB1 GLU 4 3.052 9.710 6.967
30 1HG GLU 4 HG2 GLU 4 2.052 7.844 7.897
31 2HG GLU 4 HG1 GLU 4 3.592 7.126 8.370
32 H GLN 5 HN GLN 5 4.795 5.729 6.565
33 HA GLN 5 HA GLN 5 7.372 5.975 8.054
34 1HB GLN 5 HB2 GLN 5 4.915 4.700 8.799
35 2HB GLN 5 HB1 GLN 5 6.140 3.450 8.597
36 1HG GLN 5 HG2 GLN 5 7.017 5.889 10.041
37 2HG GLN 5 HG1 GLN 5 5.837 4.884 10.883
38 1HE2 GLN 5 HE22 GLN 5 9.640 3.500 10.320
39 2HE2 GLN 5 HE21 GLN 5 9.132 4.936 9.572
40 H CYS 6 HN CYS 6 5.839 4.652 5.255
41 HA CYS 6 HA CYS 6 8.214 2.871 4.857
42 1HB CYS 6 HB2 CYS 6 5.548 2.476 3.487
43 2HB CYS 6 HB1 CYS 6 6.888 1.342 3.603
44 H CYS 7 HN CYS 7 7.722 5.786 4.110
45 HA CYS 7 HA CYS 7 7.579 5.699 1.171
46 1HB CYS 7 HB2 CYS 7 6.625 7.605 2.500
47 2HB CYS 7 HB1 CYS 7 8.267 8.040 2.976
48 H THR 8 HN THR 8 10.025 6.353 3.679
49 HA THR 8 HA THR 8 12.158 6.739 1.722
50 HB THR 8 HB THR 8 12.402 6.206 4.696
51 HG1 THR 8 HG1 THR 8 11.048 7.995 4.211
52 1HG2 THR 8 HG23 THR 8 14.242 7.022 2.512
53 2HG2 THR 8 HG22 THR 8 14.417 7.880 4.043
54 3HG2 THR 8 HG21 THR 8 14.579 6.125 3.991
55 H SER 9 HN SER 9 11.302 4.173 4.061
56 HA SER 9 HA SER 9 13.131 2.339 2.567
57 1HB SER 9 HB2 SER 9 12.314 2.553 5.431
58 2HB SER 9 HB1 SER 9 12.606 0.938 4.790
59 HG SER 9 HG SER 9 14.501 1.955 5.642
60 H ILE 10 HN ILE 10 12.214 -0.082 3.009
61 HA ILE 10 HA ILE 10 9.421 -0.030 1.955
62 HB ILE 10 HB ILE 10 11.382 -2.338 1.813
63 1HG1 ILE 10 HG12 ILE 10 10.815 -0.235 -0.302
64 2HG1 ILE 10 HG11 ILE 10 12.276 -0.279 0.684
65 1HG2 ILE 10 HG21 ILE 10 8.824 -1.622 0.354
66 2HG2 ILE 10 HG23 ILE 10 9.882 -2.953 -0.115
67 3HG2 ILE 10 HG22 ILE 10 9.073 -2.979 1.453
68 1HD1 ILE 10 HD11 ILE 10 11.472 -2.742 -0.822
69 2HD1 ILE 10 HD13 ILE 10 12.248 -1.423 -1.697
70 3HD1 ILE 10 HD12 ILE 10 13.082 -2.197 -0.350
71 H CYS 11 HN CYS 11 7.814 -1.043 3.108
72 HA CYS 11 HA CYS 11 8.556 -2.134 5.761
73 1HB CYS 11 HB2 CYS 11 5.968 -1.196 4.525
74 2HB CYS 11 HB1 CYS 11 5.996 -2.082 6.050
75 H SER 12 HN SER 12 6.681 -3.923 6.374
76 HA SER 12 HA SER 12 7.274 -6.168 4.543
77 1HB SER 12 HB2 SER 12 5.832 -6.233 7.205
78 2HB SER 12 HB1 SER 12 6.535 -7.598 6.342
79 HG SER 12 HG SER 12 7.720 -5.686 7.924
80 H LEU 13 HN LEU 13 5.458 -7.736 4.116
81 HA LEU 13 HA LEU 13 3.267 -6.407 2.817
82 1HB LEU 13 HB2 LEU 13 4.215 -8.603 2.106
83 2HB LEU 13 HB1 LEU 13 3.533 -9.334 3.559
84 HG LEU 13 HG LEU 13 1.268 -8.573 2.824
85 1HD1 LEU 13 HD12 LEU 13 2.833 -7.738 0.367
86 2HD1 LEU 13 HD11 LEU 13 1.077 -7.899 0.402
87 3HD1 LEU 13 HD13 LEU 13 1.873 -6.700 1.420
88 1HD2 LEU 13 HD23 LEU 13 2.383 -10.837 2.240
89 2HD2 LEU 13 HD22 LEU 13 0.960 -10.367 1.311
90 3HD2 LEU 13 HD21 LEU 13 2.570 -10.171 0.618
91 H TYR 14 HN TYR 14 3.686 -7.715 6.027
92 HA TYR 14 HA TYR 14 0.995 -8.193 6.759
93 1HB TYR 14 HB2 TYR 14 3.267 -7.132 8.462
94 2HB TYR 14 HB1 TYR 14 1.764 -7.819 9.083
95 HD1 TYR 14 HD1 TYR 14 1.177 -10.146 7.637
96 HD2 TYR 14 HD2 TYR 14 5.053 -8.590 8.628
97 HE1 TYR 14 HE1 TYR 14 2.139 -12.423 7.437
98 HE2 TYR 14 HE2 TYR 14 6.020 -10.868 8.429
99 HH TYR 14 HH TYR 14 4.606 -13.333 6.891
100 H GLN 15 HN GLN 15 2.582 -5.163 6.133
101 HA GLN 15 HA GLN 15 0.781 -3.553 7.763
102 1HB GLN 15 HB2 GLN 15 2.605 -2.746 5.481
103 2HB GLN 15 HB1 GLN 15 1.816 -1.642 6.607
104 1HG GLN 15 HG2 GLN 15 3.375 -3.832 7.859
105 2HG GLN 15 HG1 GLN 15 4.324 -2.628 6.987
106 1HE2 GLN 15 HE22 GLN 15 3.734 -0.054 9.349
107 2HE2 GLN 15 HE21 GLN 15 4.386 -0.453 7.834
108 H LEU 16 HN LEU 16 1.221 -3.476 4.205
109 HA LEU 16 HA LEU 16 -1.319 -2.286 3.676
110 1HB LEU 16 HB2 LEU 16 0.385 -4.058 1.892
111 2HB LEU 16 HB1 LEU 16 -0.953 -3.046 1.342
112 HG LEU 16 HG LEU 16 1.316 -1.859 2.928
113 1HD1 LEU 16 HD11 LEU 16 1.971 -3.195 0.735
114 2HD1 LEU 16 HD13 LEU 16 1.319 -1.766 -0.065
115 3HD1 LEU 16 HD12 LEU 16 2.668 -1.608 1.060
116 1HD2 LEU 16 HD22 LEU 16 -1.063 -0.824 2.107
117 2HD2 LEU 16 HD21 LEU 16 0.395 0.146 2.310
118 3HD2 LEU 16 HD23 LEU 16 -0.058 -0.438 0.710
119 H GLU 17 HN GLU 17 -0.517 -5.545 4.539
120 HA GLU 17 HA GLU 17 -2.675 -6.934 3.269
121 1HB GLU 17 HB2 GLU 17 -0.675 -8.008 4.371
122 2HB GLU 17 HB1 GLU 17 -1.377 -7.587 5.933
123 1HG GLU 17 HG2 GLU 17 -3.153 -9.004 4.007
124 2HG GLU 17 HG1 GLU 17 -1.854 -9.950 4.736
125 H ASN 18 HN ASN 18 -2.348 -5.358 6.450
126 HA ASN 18 HA ASN 18 -5.064 -5.947 7.274
127 1HB ASN 18 HB2 ASN 18 -2.893 -4.111 8.255
128 2HB ASN 18 HB1 ASN 18 -4.529 -3.964 8.900
129 1HD2 ASN 18 HD22 ASN 18 -4.356 -6.975 10.766
130 2HD2 ASN 18 HD21 ASN 18 -5.361 -5.731 10.202
131 H TYR 19 HN TYR 19 -3.788 -3.790 5.002
132 HA TYR 19 HA TYR 19 -5.846 -1.723 5.306
133 1HB TYR 19 HB2 TYR 19 -3.469 -2.168 3.510
134 2HB TYR 19 HB1 TYR 19 -4.675 -0.960 3.091
135 HD1 TYR 19 HD2 TYR 19 -4.388 -1.347 6.674
136 HD2 TYR 19 HD1 TYR 19 -2.562 0.526 3.263
137 HE1 TYR 19 HE2 TYR 19 -3.303 0.311 8.162
138 HE2 TYR 19 HE1 TYR 19 -1.494 2.194 4.751
139 HH TYR 19 HH TYR 19 -2.383 2.592 8.009
140 H CYS 20 HN CYS 20 -6.455 -4.654 4.472
141 HA CYS 20 HA CYS 20 -7.713 -4.066 1.834
142 1HB CYS 20 HB2 CYS 20 -7.093 -6.724 3.158
143 2HB CYS 20 HB1 CYS 20 -7.868 -6.532 1.587
144 H ASN 21 HN ASN 21 -8.916 -3.062 4.207
145 HA ASN 21 HA ASN 21 -10.947 -4.818 5.241
146 1HB ASN 21 HB2 ASN 21 -10.555 -1.835 5.208
147 2HB ASN 21 HB1 ASN 21 -12.072 -2.522 5.788
148 1HD2 ASN 21 HD22 ASN 21 -10.592 -3.984 8.710
149 2HD2 ASN 21 HD21 ASN 21 -11.895 -4.114 7.631
150 1H PHE 1 HT1 PHE 1 6.778 -7.284 1.236
151 2H PHE 1 HT3 PHE 1 6.325 -5.665 1.455
152 3H PHE 1 HT2 PHE 1 5.217 -6.908 1.787
153 HA PHE 1 HA PHE 1 4.899 -7.420 -0.445
154 1HB PHE 1 HB2 PHE 1 3.758 -5.355 0.151
155 2HB PHE 1 HB1 PHE 1 5.226 -4.419 -0.095
156 HD1 PHE 1 HD1 PHE 1 3.870 -7.159 -2.260
157 HD2 PHE 1 HD2 PHE 1 4.629 -2.952 -1.858
158 HE1 PHE 1 HE1 PHE 1 3.280 -6.828 -4.640
159 HE2 PHE 1 HE2 PHE 1 4.040 -2.620 -4.243
160 HZ PHE 1 HZ PHE 1 3.370 -4.561 -5.634
161 H VAL 2 HN VAL 2 5.749 -7.676 -2.502
162 HA VAL 2 HA VAL 2 8.425 -7.980 -3.018
163 HB VAL 2 HB VAL 2 6.561 -6.890 -5.133
164 1HG1 VAL 2 HG13 VAL 2 9.090 -8.488 -5.064
165 2HG1 VAL 2 HG12 VAL 2 7.940 -8.790 -6.367
166 3HG1 VAL 2 HG11 VAL 2 8.619 -7.177 -6.147
167 1HG2 VAL 2 HG23 VAL 2 6.427 -9.420 -3.603
168 2HG2 VAL 2 HG22 VAL 2 5.173 -8.596 -4.533
169 3HG2 VAL 2 HG21 VAL 2 6.359 -9.613 -5.356
170 H ASN 3 HN ASN 3 10.034 -6.558 -2.732
171 HA ASN 3 HA ASN 3 10.735 -4.215 -2.221
172 1HB ASN 3 HB2 ASN 3 12.180 -3.823 -4.226
173 2HB ASN 3 HB1 ASN 3 12.288 -5.457 -3.567
174 1HD2 ASN 3 HD22 ASN 3 10.628 -6.968 -6.371
175 2HD2 ASN 3 HD21 ASN 3 10.934 -7.158 -4.712
176 H GLN 4 HN GLN 4 8.615 -3.035 -2.122
177 HA GLN 4 HA GLN 4 8.484 -1.070 -4.345
178 1HB GLN 4 HB2 GLN 4 6.559 -3.103 -4.026
179 2HB GLN 4 HB1 GLN 4 5.811 -1.668 -3.337
180 1HG GLN 4 HG2 GLN 4 7.149 -0.946 -5.793
181 2HG GLN 4 HG1 GLN 4 6.101 -2.331 -6.089
182 1HE2 GLN 4 HE22 GLN 4 3.467 0.009 -6.424
183 2HE2 GLN 4 HE21 GLN 4 4.425 -1.161 -7.195
184 H HIS 5 HN HIS 5 8.333 0.983 -3.535
185 HA HIS 5 HA HIS 5 8.059 1.284 -0.606
186 1HB HIS 5 HB2 HIS 5 8.892 3.168 -2.822
187 2HB HIS 5 HB1 HIS 5 8.673 3.698 -1.152
188 HD1 HIS 5 HD1 HIS 5 10.784 1.360 -3.249
189 HD2 HIS 5 HD2 HIS 5 10.732 2.934 0.608
190 HE1 HIS 5 HE1 HIS 5 12.980 0.700 -2.174
191 H LEU 6 HN LEU 6 6.751 3.344 0.069
192 HA LEU 6 HA LEU 6 4.217 3.433 -1.522
193 1HB LEU 6 HB2 LEU 6 4.429 3.538 1.499
194 2HB LEU 6 HB1 LEU 6 2.950 3.471 0.542
195 HG LEU 6 HG LEU 6 5.070 1.317 0.439
196 1HD1 LEU 6 HD12 LEU 6 3.780 1.807 2.714
197 2HD1 LEU 6 HD11 LEU 6 2.475 0.955 1.888
198 3HD1 LEU 6 HD13 LEU 6 4.025 0.155 2.147
199 1HD2 LEU 6 HD23 LEU 6 2.172 1.489 -0.445
200 2HD2 LEU 6 HD22 LEU 6 3.588 1.372 -1.490
201 3HD2 LEU 6 HD21 LEU 6 3.128 0.008 -0.471
202 H CYS 7 HN CYS 7 3.808 5.462 -2.212
203 HA CYS 7 HA CYS 7 3.738 7.756 -0.554
204 1HB CYS 7 HB2 CYS 7 6.390 7.088 -1.395
205 2HB CYS 7 HB1 CYS 7 5.909 8.527 -2.288
206 H GLY 8 HN GLY 8 1.950 8.483 -1.611
207 1HA GLY 8 HA2 GLY 8 0.941 9.804 -3.341
208 2HA GLY 8 HA1 GLY 8 2.266 9.361 -4.418
209 H SER 9 HN SER 9 0.981 8.576 -6.115
210 HA SER 9 HA SER 9 -1.246 6.800 -5.784
211 1HB SER 9 HB2 SER 9 -1.132 6.480 -8.157
212 2HB SER 9 HB1 SER 9 -0.668 8.152 -7.856
213 HG SER 9 HG SER 9 0.881 7.354 -9.182
214 H HIS 10 HN HIS 10 2.181 6.252 -5.631
215 HA HIS 10 HA HIS 10 2.368 3.540 -6.435
216 1HB HIS 10 HB2 HIS 10 3.861 5.157 -4.366
217 2HB HIS 10 HB1 HIS 10 4.262 3.473 -4.706
218 HD1 HIS 10 HD1 HIS 10 5.690 6.446 -5.508
219 HD2 HIS 10 HD2 HIS 10 4.113 3.475 -7.970
220 HE1 HIS 10 HE1 HIS 10 6.764 6.754 -7.781
221 H LEU 11 HN LEU 11 1.127 4.981 -3.488
222 HA LEU 11 HA LEU 11 1.048 2.561 -1.923
223 1HB LEU 11 HB2 LEU 11 0.899 4.761 -0.857
224 2HB LEU 11 HB1 LEU 11 -0.589 5.113 -1.731
225 HG LEU 11 HG LEU 11 -1.685 3.187 -0.600
226 1HD1 LEU 11 HD12 LEU 11 1.032 2.981 0.701
227 2HD1 LEU 11 HD11 LEU 11 -0.412 2.325 1.470
228 3HD1 LEU 11 HD13 LEU 11 0.102 1.715 -0.104
229 1HD2 LEU 11 HD23 LEU 11 -0.738 5.640 0.669
230 2HD2 LEU 11 HD22 LEU 11 -2.321 4.874 0.763
231 3HD2 LEU 11 HD21 LEU 11 -1.034 4.370 1.856
232 H VAL 12 HN VAL 12 -1.559 4.330 -3.638
233 HA VAL 12 HA VAL 12 -3.651 2.518 -3.273
234 HB VAL 12 HB VAL 12 -3.098 4.031 -5.840
235 1HG1 VAL 12 HG12 VAL 12 -5.540 2.812 -4.548
236 2HG1 VAL 12 HG11 VAL 12 -5.690 4.142 -5.698
237 3HG1 VAL 12 HG13 VAL 12 -4.959 2.620 -6.204
238 1HG2 VAL 12 HG23 VAL 12 -3.864 4.905 -3.104
239 2HG2 VAL 12 HG22 VAL 12 -3.054 5.804 -4.389
240 3HG2 VAL 12 HG21 VAL 12 -4.806 5.598 -4.425
241 H GLU 13 HN GLU 13 -1.262 2.448 -5.940
242 HA GLU 13 HA GLU 13 -2.309 0.125 -7.227
243 1HB GLU 13 HB2 GLU 13 0.195 1.692 -7.312
244 2HB GLU 13 HB1 GLU 13 0.379 -0.001 -7.770
245 1HG GLU 13 HG2 GLU 13 -1.863 0.568 -9.151
246 2HG GLU 13 HG1 GLU 13 -1.133 2.174 -9.127
247 H ALA 14 HN ALA 14 -0.097 0.519 -4.511
248 HA ALA 14 HA ALA 14 0.778 -2.223 -4.393
249 1HB ALA 14 HB2 ALA 14 1.594 0.038 -3.167
250 2HB ALA 14 HB1 ALA 14 0.597 -0.640 -1.878
251 3HB ALA 14 HB3 ALA 14 1.949 -1.568 -2.529
252 H LEU 15 HN LEU 15 -2.060 -0.521 -3.216
253 HA LEU 15 HA LEU 15 -2.895 -2.680 -1.432
254 1HB LEU 15 HB2 LEU 15 -4.651 -0.502 -2.591
255 2HB LEU 15 HB1 LEU 15 -4.907 -1.409 -1.101
256 HG LEU 15 HG LEU 15 -2.635 0.522 -1.618
257 1HD1 LEU 15 HD12 LEU 15 -4.883 1.569 -1.328
258 2HD1 LEU 15 HD11 LEU 15 -5.005 0.769 0.239
259 3HD1 LEU 15 HD13 LEU 15 -3.751 1.977 -0.037
260 1HD2 LEU 15 HD22 LEU 15 -3.347 -1.273 0.687
261 2HD2 LEU 15 HD21 LEU 15 -1.778 -1.032 -0.084
262 3HD2 LEU 15 HD23 LEU 15 -2.450 0.223 0.958
263 H GLU 16 HN GLU 16 -3.380 -1.788 -4.793
264 HA GLU 16 HA GLU 16 -5.624 -3.538 -5.291
265 1HB GLU 16 HB2 GLU 16 -4.634 -1.572 -6.737
266 2HB GLU 16 HB1 GLU 16 -3.602 -2.838 -7.405
267 1HG GLU 16 HG2 GLU 16 -5.525 -4.132 -8.097
268 2HG GLU 16 HG1 GLU 16 -6.623 -3.026 -7.269
269 H LEU 17 HN LEU 17 -2.110 -3.905 -5.382
270 HA LEU 17 HA LEU 17 -2.161 -6.553 -6.578
271 1HB LEU 17 HB2 LEU 17 -0.196 -4.654 -6.074
272 2HB LEU 17 HB1 LEU 17 0.185 -5.929 -4.921
273 HG LEU 17 HG LEU 17 -0.301 -7.446 -7.083
274 1HD1 LEU 17 HD13 LEU 17 -0.719 -5.315 -8.417
275 2HD1 LEU 17 HD12 LEU 17 1.000 -4.968 -8.234
276 3HD1 LEU 17 HD11 LEU 17 0.480 -6.413 -9.101
277 1HD2 LEU 17 HD21 LEU 17 2.298 -6.007 -6.471
278 2HD2 LEU 17 HD23 LEU 17 1.740 -7.497 -5.713
279 3HD2 LEU 17 HD22 LEU 17 2.157 -7.481 -7.427
280 H VAL 18 HN VAL 18 -1.461 -5.418 -3.253
281 HA VAL 18 HA VAL 18 -1.361 -8.004 -2.062
282 HB VAL 18 HB VAL 18 -2.280 -5.452 -0.709
283 1HG1 VAL 18 HG13 VAL 18 -1.277 -8.126 0.178
284 2HG1 VAL 18 HG12 VAL 18 -0.839 -6.712 1.137
285 3HG1 VAL 18 HG11 VAL 18 -2.537 -7.112 0.878
286 1HG2 VAL 18 HG22 VAL 18 0.186 -5.926 -2.052
287 2HG2 VAL 18 HG21 VAL 18 -0.222 -4.578 -0.991
288 3HG2 VAL 18 HG23 VAL 18 0.522 -6.032 -0.325
289 H CYS 19 HN CYS 19 -4.007 -5.628 -1.658
290 HA CYS 19 HA CYS 19 -5.900 -7.500 -0.670
291 1HB CYS 19 HB2 CYS 19 -6.521 -4.978 -2.239
292 2HB CYS 19 HB1 CYS 19 -7.579 -5.797 -1.092
293 H GLY 20 HN GLY 20 -6.110 -5.951 -3.900
294 1HA GLY 20 HA2 GLY 20 -6.318 -7.149 -5.987
295 2HA GLY 20 HA1 GLY 20 -6.732 -8.604 -5.080
296 H GLU 21 HN GLU 21 -8.649 -7.036 -3.368
297 HA GLU 21 HA GLU 21 -10.987 -7.380 -5.072
298 1HB GLU 21 HB2 GLU 21 -10.626 -6.352 -2.245
299 2HB GLU 21 HB1 GLU 21 -12.201 -6.512 -3.022
300 1HG GLU 21 HG2 GLU 21 -10.543 -8.930 -3.267
301 2HG GLU 21 HG1 GLU 21 -10.907 -8.505 -1.594
302 H ARG 22 HN ARG 22 -12.297 -5.759 -5.941
303 HA ARG 22 HA ARG 22 -11.031 -3.149 -6.336
304 1HB ARG 22 HB2 ARG 22 -12.497 -4.537 -8.012
305 2HB ARG 22 HB1 ARG 22 -13.851 -3.789 -7.164
306 1HG ARG 22 HG2 ARG 22 -13.251 -2.403 -9.078
307 2HG ARG 22 HG1 ARG 22 -12.829 -1.550 -7.594
308 1HD ARG 22 HD2 ARG 22 -10.612 -3.200 -8.415
309 2HD ARG 22 HD1 ARG 22 -11.118 -2.191 -9.766
310 HE ARG 22 HE ARG 22 -9.647 -1.319 -7.482
311 1HH1 ARG 22 HH21 ARG 22 -12.372 -0.289 -9.403
312 2HH1 ARG 22 HH22 ARG 22 -12.327 1.323 -8.782
313 1HH2 ARG 22 HH11 ARG 22 -9.603 0.779 -6.726
314 2HH2 ARG 22 HH12 ARG 22 -10.769 1.928 -7.292
315 H GLY 23 HN GLY 23 -11.241 -1.560 -4.852
316 1HA GLY 23 HA2 GLY 23 -12.333 -0.040 -3.408
317 2HA GLY 23 HA1 GLY 23 -13.852 -0.873 -3.744
318 H GLY 24 HN GLY 24 -10.956 -2.533 -2.646
319 1HA GLY 24 HA2 GLY 24 -12.359 -3.110 -0.066
320 2HA GLY 24 HA1 GLY 24 -11.323 -4.277 -0.893
321 H PHE 25 HN PHE 25 -10.539 -0.853 -0.621
322 HA PHE 25 HA PHE 25 -8.822 -1.140 1.693
323 1HB PHE 25 HB2 PHE 25 -6.663 -0.829 0.451
324 2HB PHE 25 HB1 PHE 25 -7.418 -2.392 0.152
325 HD1 PHE 25 HD2 PHE 25 -6.807 0.983 -1.259
326 HD2 PHE 25 HD1 PHE 25 -8.272 -2.985 -2.015
327 HE1 PHE 25 HE2 PHE 25 -6.845 1.461 -3.692
328 HE2 PHE 25 HE1 PHE 25 -8.306 -2.507 -4.449
329 HZ PHE 25 HZ PHE 25 -7.597 -0.284 -5.286
330 H TYR 26 HN TYR 26 -7.051 0.876 1.354
331 HA TYR 26 HA TYR 26 -8.528 3.245 1.675
332 1HB TYR 26 HB2 TYR 26 -6.317 3.247 2.494
333 2HB TYR 26 HB1 TYR 26 -5.654 2.653 0.984
334 HD1 TYR 26 HD2 TYR 26 -7.964 5.536 1.672
335 HD2 TYR 26 HD1 TYR 26 -4.129 4.238 0.236
336 HE1 TYR 26 HE2 TYR 26 -7.439 7.858 0.977
337 HE2 TYR 26 HE1 TYR 26 -3.603 6.561 -0.460
338 HH TYR 26 HH TYR 26 -4.804 8.617 -1.050
339 H THR 27 HN THR 27 -10.052 3.593 0.041
340 HA THR 27 HA THR 27 -8.948 4.232 -2.669
341 HB THR 27 HB THR 27 -11.510 3.761 -3.257
342 HG1 THR 27 HG1 THR 27 -11.960 3.296 -1.030
343 1HG2 THR 27 HG21 THR 27 -9.116 2.016 -3.066
344 2HG2 THR 27 HG23 THR 27 -10.656 1.205 -3.345
345 3HG2 THR 27 HG22 THR 27 -10.091 2.439 -4.472
346 HA PRO 28 HA PRO 28 -10.496 8.191 -0.884
347 1HB PRO 28 HB2 PRO 28 -9.099 9.508 -3.048
348 2HB PRO 28 HB1 PRO 28 -8.741 9.559 -1.317
349 1HG PRO 28 HG2 PRO 28 -7.271 8.189 -3.356
350 2HG PRO 28 HG1 PRO 28 -6.966 8.181 -1.614
351 1HD PRO 28 HD2 PRO 28 -8.015 6.046 -3.237
352 2HD PRO 28 HD1 PRO 28 -7.677 6.033 -1.498
353 H LYS 29 HN LYS 29 -11.877 9.875 -1.912
354 HA LYS 29 HA LYS 29 -13.054 8.979 -4.512
355 1HB LYS 29 HB2 LYS 29 -14.327 8.763 -2.084
356 2HB LYS 29 HB1 LYS 29 -14.889 10.339 -2.638
357 1HG LYS 29 HG2 LYS 29 -16.089 9.451 -4.369
358 2HG LYS 29 HG1 LYS 29 -14.892 8.194 -4.688
359 1HD LYS 29 HD2 LYS 29 -15.694 7.191 -2.416
360 2HD LYS 29 HD1 LYS 29 -17.114 8.209 -2.657
361 1HE LYS 29 HE2 LYS 29 -17.744 6.195 -3.688
362 2HE LYS 29 HE1 LYS 29 -17.165 7.162 -5.046
363 1HZ LYS 29 HZ2 LYS 29 -15.566 5.160 -3.542
364 2HZ LYS 29 HZ1 LYS 29 -16.238 4.931 -5.085
365 3HZ LYS 29 HZ3 LYS 29 -15.016 6.083 -4.858
No H/Q in entry = 365
Start of MODEL 14
1 1H GLY 1 HT2 GLY 1 -2.660 9.305 10.129
2 2H GLY 1 HT1 GLY 1 -2.310 10.904 9.675
3 3H GLY 1 HT3 GLY 1 -3.313 9.946 8.696
4 1HA GLY 1 HA2 GLY 1 -1.154 10.074 7.688
5 2HA GLY 1 HA1 GLY 1 -0.413 9.539 9.196
6 H ILE 2 HN ILE 2 -0.673 8.325 6.373
7 HA ILE 2 HA ILE 2 -1.252 5.587 7.338
8 HB ILE 2 HB ILE 2 -3.396 6.376 6.415
9 1HG1 ILE 2 HG12 ILE 2 -2.372 4.586 4.257
10 2HG1 ILE 2 HG11 ILE 2 -2.255 4.006 5.920
11 1HG2 ILE 2 HG23 ILE 2 -2.236 8.035 4.837
12 2HG2 ILE 2 HG22 ILE 2 -2.010 6.666 3.747
13 3HG2 ILE 2 HG21 ILE 2 -3.638 7.178 4.195
14 1HD1 ILE 2 HD13 ILE 2 -4.818 5.137 4.783
15 2HD1 ILE 2 HD12 ILE 2 -4.415 3.423 4.673
16 3HD1 ILE 2 HD11 ILE 2 -4.609 4.184 6.253
17 H VAL 3 HN VAL 3 -0.209 7.601 4.570
18 HA VAL 3 HA VAL 3 1.485 5.386 3.586
19 HB VAL 3 HB VAL 3 1.244 8.193 2.474
20 1HG1 VAL 3 HG12 VAL 3 2.406 5.580 1.560
21 2HG1 VAL 3 HG11 VAL 3 1.805 6.729 0.364
22 3HG1 VAL 3 HG13 VAL 3 3.097 7.200 1.468
23 1HG2 VAL 3 HG23 VAL 3 -0.542 5.807 2.262
24 2HG2 VAL 3 HG22 VAL 3 -0.947 7.522 2.188
25 3HG2 VAL 3 HG21 VAL 3 -0.240 6.722 0.784
26 H GLU 4 HN GLU 4 1.774 8.533 5.147
27 HA GLU 4 HA GLU 4 4.570 8.931 4.887
28 1HB GLU 4 HB2 GLU 4 4.356 10.270 6.990
29 2HB GLU 4 HB1 GLU 4 3.124 10.670 5.793
30 1HG GLU 4 HG2 GLU 4 1.469 9.347 6.943
31 2HG GLU 4 HG1 GLU 4 2.685 8.678 8.033
32 H GLN 5 HN GLN 5 2.802 6.619 6.790
33 HA GLN 5 HA GLN 5 4.721 6.106 8.836
34 1HB GLN 5 HB2 GLN 5 2.352 5.252 8.791
35 2HB GLN 5 HB1 GLN 5 2.847 4.097 7.554
36 1HG GLN 5 HG2 GLN 5 4.229 2.911 9.027
37 2HG GLN 5 HG1 GLN 5 4.376 4.274 10.138
38 1HE2 GLN 5 HE22 GLN 5 1.082 1.839 10.366
39 2HE2 GLN 5 HE21 GLN 5 2.071 1.784 8.987
40 H CYS 6 HN CYS 6 4.340 4.719 5.556
41 HA CYS 6 HA CYS 6 6.975 3.374 5.963
42 1HB CYS 6 HB2 CYS 6 4.661 2.699 4.139
43 2HB CYS 6 HB1 CYS 6 6.229 1.893 4.071
44 H CYS 7 HN CYS 7 6.285 6.230 4.924
45 HA CYS 7 HA CYS 7 7.390 6.019 2.177
46 1HB CYS 7 HB2 CYS 7 5.476 7.590 2.686
47 2HB CYS 7 HB1 CYS 7 6.600 8.542 3.657
48 H THR 8 HN THR 8 9.169 5.191 4.143
49 HA THR 8 HA THR 8 11.286 7.259 3.890
50 HB THR 8 HB THR 8 10.504 7.538 6.174
51 HG1 THR 8 HG1 THR 8 12.772 7.469 5.832
52 1HG2 THR 8 HG23 THR 8 9.476 5.154 6.160
53 2HG2 THR 8 HG22 THR 8 11.063 4.634 6.728
54 3HG2 THR 8 HG21 THR 8 10.117 5.777 7.680
55 H SER 9 HN SER 9 10.477 3.910 4.763
56 HA SER 9 HA SER 9 12.859 3.008 3.217
57 1HB SER 9 HB2 SER 9 12.723 1.075 5.119
58 2HB SER 9 HB1 SER 9 13.763 2.488 5.277
59 HG SER 9 HG SER 9 12.604 3.009 6.939
60 H ILE 10 HN ILE 10 12.408 0.296 3.319
61 HA ILE 10 HA ILE 10 9.775 0.165 1.959
62 HB ILE 10 HB ILE 10 11.541 -2.226 1.903
63 1HG1 ILE 10 HG12 ILE 10 13.227 -0.416 1.698
64 2HG1 ILE 10 HG11 ILE 10 13.013 -1.245 0.159
65 1HG2 ILE 10 HG23 ILE 10 10.018 -0.622 -0.167
66 2HG2 ILE 10 HG22 ILE 10 10.819 -2.168 -0.474
67 3HG2 ILE 10 HG21 ILE 10 9.447 -2.088 0.634
68 1HD1 ILE 10 HD13 ILE 10 11.477 1.259 0.853
69 2HD1 ILE 10 HD12 ILE 10 13.069 1.323 0.094
70 3HD1 ILE 10 HD11 ILE 10 11.726 0.540 -0.738
71 H CYS 11 HN CYS 11 8.225 -0.191 3.447
72 HA CYS 11 HA CYS 11 8.506 -1.682 5.859
73 1HB CYS 11 HB2 CYS 11 6.213 -0.670 4.229
74 2HB CYS 11 HB1 CYS 11 5.875 -1.862 5.482
75 H SER 12 HN SER 12 6.662 -3.581 6.094
76 HA SER 12 HA SER 12 7.525 -5.672 4.150
77 1HB SER 12 HB2 SER 12 6.324 -5.990 6.917
78 2HB SER 12 HB1 SER 12 6.944 -7.287 5.898
79 HG SER 12 HG SER 12 8.565 -6.707 7.295
80 H LEU 13 HN LEU 13 5.828 -7.326 3.617
81 HA LEU 13 HA LEU 13 3.437 -6.075 2.628
82 1HB LEU 13 HB2 LEU 13 4.507 -8.092 1.611
83 2HB LEU 13 HB1 LEU 13 3.981 -9.036 3.007
84 HG LEU 13 HG LEU 13 1.619 -8.355 2.505
85 1HD1 LEU 13 HD11 LEU 13 3.069 -6.839 0.408
86 2HD1 LEU 13 HD13 LEU 13 1.589 -7.638 -0.117
87 3HD1 LEU 13 HD12 LEU 13 1.541 -6.477 1.207
88 1HD2 LEU 13 HD23 LEU 13 2.996 -10.424 1.519
89 2HD2 LEU 13 HD22 LEU 13 1.332 -10.110 1.023
90 3HD2 LEU 13 HD21 LEU 13 2.670 -9.598 -0.005
91 H TYR 14 HN TYR 14 4.190 -7.783 5.593
92 HA TYR 14 HA TYR 14 1.579 -8.487 6.447
93 1HB TYR 14 HB2 TYR 14 3.823 -7.513 8.240
94 2HB TYR 14 HB1 TYR 14 2.496 -8.587 8.682
95 HD1 TYR 14 HD1 TYR 14 2.264 -10.673 6.922
96 HD2 TYR 14 HD2 TYR 14 5.867 -8.542 7.878
97 HE1 TYR 14 HE1 TYR 14 3.610 -12.628 6.197
98 HE2 TYR 14 HE2 TYR 14 7.216 -10.496 7.152
99 HH TYR 14 HH TYR 14 6.891 -12.963 6.909
100 H GLN 15 HN GLN 15 3.093 -5.353 6.233
101 HA GLN 15 HA GLN 15 1.249 -4.062 8.101
102 1HB GLN 15 HB2 GLN 15 3.684 -3.372 6.782
103 2HB GLN 15 HB1 GLN 15 2.478 -2.183 6.294
104 1HG GLN 15 HG2 GLN 15 2.937 -2.979 9.181
105 2HG GLN 15 HG1 GLN 15 3.744 -1.610 8.416
106 1HE2 GLN 15 HE22 GLN 15 0.457 -0.563 10.046
107 2HE2 GLN 15 HE21 GLN 15 1.757 -1.486 10.629
108 H LEU 16 HN LEU 16 1.656 -4.104 4.548
109 HA LEU 16 HA LEU 16 -0.651 -2.478 4.010
110 1HB LEU 16 HB2 LEU 16 1.086 -4.318 2.399
111 2HB LEU 16 HB1 LEU 16 -0.433 -3.748 1.704
112 HG LEU 16 HG LEU 16 1.526 -1.834 2.971
113 1HD1 LEU 16 HD12 LEU 16 2.516 -3.285 1.062
114 2HD1 LEU 16 HD11 LEU 16 1.417 -2.393 0.009
115 3HD1 LEU 16 HD13 LEU 16 2.657 -1.532 0.921
116 1HD2 LEU 16 HD23 LEU 16 -1.048 -1.497 2.107
117 2HD2 LEU 16 HD22 LEU 16 0.158 -0.209 2.132
118 3HD2 LEU 16 HD21 LEU 16 -0.150 -1.099 0.642
119 H GLU 17 HN GLU 17 -0.320 -5.825 4.874
120 HA GLU 17 HA GLU 17 -2.677 -6.889 3.666
121 1HB GLU 17 HB2 GLU 17 -0.893 -7.636 5.927
122 2HB GLU 17 HB1 GLU 17 -2.509 -8.344 5.938
123 1HG GLU 17 HG2 GLU 17 -1.046 -8.375 3.344
124 2HG GLU 17 HG1 GLU 17 -0.467 -9.467 4.602
125 H ASN 18 HN ASN 18 -2.251 -4.738 6.373
126 HA ASN 18 HA ASN 18 -5.039 -5.207 7.282
127 1HB ASN 18 HB2 ASN 18 -3.045 -5.000 8.892
128 2HB ASN 18 HB1 ASN 18 -3.047 -3.283 8.489
129 1HD2 ASN 18 HD22 ASN 18 -5.758 -2.574 10.616
130 2HD2 ASN 18 HD21 ASN 18 -4.473 -1.985 9.676
131 H TYR 19 HN TYR 19 -4.484 -3.941 4.696
132 HA TYR 19 HA TYR 19 -5.474 -1.174 5.247
133 1HB TYR 19 HB2 TYR 19 -3.711 -2.328 3.135
134 2HB TYR 19 HB1 TYR 19 -4.767 -0.993 2.679
135 HD1 TYR 19 HD2 TYR 19 -2.757 -1.870 5.731
136 HD2 TYR 19 HD1 TYR 19 -3.687 1.068 2.741
137 HE1 TYR 19 HE2 TYR 19 -1.208 -0.269 6.821
138 HE2 TYR 19 HE1 TYR 19 -2.136 2.668 3.830
139 HH TYR 19 HH TYR 19 0.161 2.072 5.618
140 H CYS 20 HN CYS 20 -6.758 -4.094 4.594
141 HA CYS 20 HA CYS 20 -8.593 -3.190 2.448
142 1HB CYS 20 HB2 CYS 20 -7.520 -5.720 3.257
143 2HB CYS 20 HB1 CYS 20 -9.269 -5.783 3.423
144 H ASN 21 HN ASN 21 -8.732 -1.931 5.063
145 HA ASN 21 HA ASN 21 -10.804 -3.020 6.698
146 1HB ASN 21 HB2 ASN 21 -9.131 -0.956 7.008
147 2HB ASN 21 HB1 ASN 21 -10.534 -0.058 6.429
148 1HD2 ASN 21 HD22 ASN 21 -10.534 -0.848 10.241
149 2HD2 ASN 21 HD21 ASN 21 -9.201 -0.510 9.249
150 1H PHE 1 HT2 PHE 1 7.811 -4.646 1.331
151 2H PHE 1 HT1 PHE 1 6.359 -4.835 2.193
152 3H PHE 1 HT3 PHE 1 7.516 -6.072 2.204
153 HA PHE 1 HA PHE 1 5.708 -6.654 0.744
154 1HB PHE 1 HB2 PHE 1 5.415 -4.047 0.290
155 2HB PHE 1 HB1 PHE 1 6.456 -4.397 -1.084
156 HD1 PHE 1 HD2 PHE 1 5.360 -7.355 -1.411
157 HD2 PHE 1 HD1 PHE 1 3.469 -3.510 -1.067
158 HE1 PHE 1 HE2 PHE 1 3.409 -8.206 -2.658
159 HE2 PHE 1 HE1 PHE 1 1.510 -4.372 -2.313
160 HZ PHE 1 HZ PHE 1 1.484 -6.718 -3.104
161 H VAL 2 HN VAL 2 6.824 -6.011 -2.167
162 HA VAL 2 HA VAL 2 8.807 -8.171 -2.080
163 HB VAL 2 HB VAL 2 7.875 -6.579 -4.487
164 1HG1 VAL 2 HG13 VAL 2 9.935 -8.215 -4.449
165 2HG1 VAL 2 HG12 VAL 2 8.696 -9.469 -4.447
166 3HG1 VAL 2 HG11 VAL 2 8.773 -8.308 -5.772
167 1HG2 VAL 2 HG21 VAL 2 6.625 -8.939 -3.063
168 2HG2 VAL 2 HG23 VAL 2 5.853 -7.436 -3.568
169 3HG2 VAL 2 HG22 VAL 2 6.328 -8.631 -4.774
170 H ASN 3 HN ASN 3 8.733 -4.868 -3.472
171 HA ASN 3 HA ASN 3 11.213 -4.052 -2.344
172 1HB ASN 3 HB2 ASN 3 12.545 -4.091 -4.555
173 2HB ASN 3 HB1 ASN 3 12.408 -5.605 -3.666
174 1HD2 ASN 3 HD22 ASN 3 10.288 -5.199 -7.174
175 2HD2 ASN 3 HD21 ASN 3 10.717 -3.806 -6.309
176 H GLN 4 HN GLN 4 8.618 -2.971 -2.903
177 HA GLN 4 HA GLN 4 9.351 -0.736 -4.756
178 1HB GLN 4 HB2 GLN 4 6.760 -2.196 -4.304
179 2HB GLN 4 HB1 GLN 4 6.733 -0.519 -4.849
180 1HG GLN 4 HG2 GLN 4 7.973 -1.044 -6.827
181 2HG GLN 4 HG1 GLN 4 8.379 -2.651 -6.227
182 1HE2 GLN 4 HE22 GLN 4 5.587 -3.956 -7.928
183 2HE2 GLN 4 HE21 GLN 4 7.245 -4.076 -7.582
184 H HIS 5 HN HIS 5 9.088 1.349 -3.945
185 HA HIS 5 HA HIS 5 8.774 1.596 -1.055
186 1HB HIS 5 HB2 HIS 5 9.880 3.185 -3.187
187 2HB HIS 5 HB1 HIS 5 8.725 4.173 -2.295
188 HD1 HIS 5 HD1 HIS 5 9.023 3.725 0.493
189 HD2 HIS 5 HD2 HIS 5 12.366 3.266 -1.940
190 HE1 HIS 5 HE1 HIS 5 11.038 3.818 1.997
191 H LEU 6 HN LEU 6 7.217 3.238 -0.124
192 HA LEU 6 HA LEU 6 4.603 3.116 -1.579
193 1HB LEU 6 HB2 LEU 6 4.998 3.173 1.422
194 2HB LEU 6 HB1 LEU 6 3.497 2.888 0.551
195 HG LEU 6 HG LEU 6 5.900 1.089 0.241
196 1HD1 LEU 6 HD11 LEU 6 4.553 1.437 2.630
197 2HD1 LEU 6 HD13 LEU 6 3.664 0.106 1.887
198 3HD1 LEU 6 HD12 LEU 6 5.401 -0.035 2.151
199 1HD2 LEU 6 HD21 LEU 6 3.766 1.243 -1.341
200 2HD2 LEU 6 HD23 LEU 6 4.458 -0.322 -0.910
201 3HD2 LEU 6 HD22 LEU 6 3.031 0.274 -0.062
202 H CYS 7 HN CYS 7 4.130 5.146 -2.291
203 HA CYS 7 HA CYS 7 3.607 7.295 -0.538
204 1HB CYS 7 HB2 CYS 7 6.358 7.064 -0.926
205 2HB CYS 7 HB1 CYS 7 5.887 8.316 -2.073
206 H GLY 8 HN GLY 8 2.026 8.302 -1.616
207 1HA GLY 8 HA2 GLY 8 1.095 9.586 -3.413
208 2HA GLY 8 HA1 GLY 8 2.388 9.002 -4.469
209 H SER 9 HN SER 9 0.969 8.234 -6.109
210 HA SER 9 HA SER 9 -1.292 6.534 -5.585
211 1HB SER 9 HB2 SER 9 -1.280 7.575 -7.701
212 2HB SER 9 HB1 SER 9 0.377 7.081 -8.038
213 HG SER 9 HG SER 9 -0.526 5.442 -8.993
214 H HIS 10 HN HIS 10 2.096 5.906 -5.450
215 HA HIS 10 HA HIS 10 2.208 3.175 -6.250
216 1HB HIS 10 HB2 HIS 10 3.789 4.899 -4.388
217 2HB HIS 10 HB1 HIS 10 4.034 3.155 -4.333
218 HD1 HIS 10 HD1 HIS 10 3.163 4.846 -7.562
219 HD2 HIS 10 HD2 HIS 10 6.549 3.317 -5.671
220 HE1 HIS 10 HE1 HIS 10 4.988 4.761 -9.316
221 H LEU 11 HN LEU 11 1.002 4.709 -3.345
222 HA LEU 11 HA LEU 11 0.840 2.367 -1.693
223 1HB LEU 11 HB2 LEU 11 0.482 4.944 -1.155
224 2HB LEU 11 HB1 LEU 11 -1.197 4.572 -1.535
225 HG LEU 11 HG LEU 11 -0.783 4.338 0.876
226 1HD1 LEU 11 HD13 LEU 11 -2.272 2.700 -0.517
227 2HD1 LEU 11 HD12 LEU 11 -1.011 1.521 -0.151
228 3HD1 LEU 11 HD11 LEU 11 -1.897 2.301 1.160
229 1HD2 LEU 11 HD22 LEU 11 1.694 3.628 0.334
230 2HD2 LEU 11 HD21 LEU 11 0.904 3.026 1.790
231 3HD2 LEU 11 HD23 LEU 11 1.020 1.999 0.360
232 H VAL 12 HN VAL 12 -1.594 4.033 -3.689
233 HA VAL 12 HA VAL 12 -3.726 2.219 -3.349
234 HB VAL 12 HB VAL 12 -3.087 3.716 -5.906
235 1HG1 VAL 12 HG11 VAL 12 -4.990 2.036 -5.849
236 2HG1 VAL 12 HG13 VAL 12 -5.755 3.057 -4.630
237 3HG1 VAL 12 HG12 VAL 12 -5.466 3.686 -6.253
238 1HG2 VAL 12 HG21 VAL 12 -3.771 4.691 -3.205
239 2HG2 VAL 12 HG23 VAL 12 -3.098 5.566 -4.583
240 3HG2 VAL 12 HG22 VAL 12 -4.838 5.296 -4.474
241 H GLU 13 HN GLU 13 -1.012 2.078 -5.631
242 HA GLU 13 HA GLU 13 -2.052 -0.206 -7.081
243 1HB GLU 13 HB2 GLU 13 -0.092 1.636 -7.575
244 2HB GLU 13 HB1 GLU 13 0.872 0.236 -7.107
245 1HG GLU 13 HG2 GLU 13 0.548 0.066 -9.475
246 2HG GLU 13 HG1 GLU 13 -0.528 -1.124 -8.741
247 H ALA 14 HN ALA 14 -0.119 0.209 -4.192
248 HA ALA 14 HA ALA 14 0.946 -2.487 -4.155
249 1HB ALA 14 HB2 ALA 14 1.611 -0.259 -2.817
250 2HB ALA 14 HB1 ALA 14 0.541 -0.984 -1.614
251 3HB ALA 14 HB3 ALA 14 1.956 -1.871 -2.182
252 H LEU 15 HN LEU 15 -1.981 -0.920 -3.015
253 HA LEU 15 HA LEU 15 -2.867 -3.164 -1.388
254 1HB LEU 15 HB2 LEU 15 -4.595 -0.985 -2.601
255 2HB LEU 15 HB1 LEU 15 -4.949 -1.965 -1.180
256 HG LEU 15 HG LEU 15 -2.672 0.020 -1.416
257 1HD1 LEU 15 HD11 LEU 15 -5.419 0.151 -0.251
258 2HD1 LEU 15 HD13 LEU 15 -4.114 1.038 0.531
259 3HD1 LEU 15 HD12 LEU 15 -4.528 1.378 -1.150
260 1HD2 LEU 15 HD23 LEU 15 -3.578 -1.833 0.784
261 2HD2 LEU 15 HD22 LEU 15 -1.965 -1.674 0.085
262 3HD2 LEU 15 HD21 LEU 15 -2.611 -0.394 1.114
263 H GLU 16 HN GLU 16 -3.427 -2.034 -4.711
264 HA GLU 16 HA GLU 16 -5.380 -4.005 -5.450
265 1HB GLU 16 HB2 GLU 16 -4.491 -1.909 -6.765
266 2HB GLU 16 HB1 GLU 16 -3.263 -3.028 -7.360
267 1HG GLU 16 HG2 GLU 16 -4.721 -3.892 -8.841
268 2HG GLU 16 HG1 GLU 16 -5.832 -4.313 -7.539
269 H LEU 17 HN LEU 17 -1.887 -4.018 -5.219
270 HA LEU 17 HA LEU 17 -1.387 -6.503 -6.559
271 1HB LEU 17 HB2 LEU 17 0.142 -4.475 -5.555
272 2HB LEU 17 HB1 LEU 17 0.399 -5.718 -4.339
273 HG LEU 17 HG LEU 17 0.808 -7.291 -6.361
274 1HD1 LEU 17 HD13 LEU 17 -0.005 -5.249 -7.854
275 2HD1 LEU 17 HD12 LEU 17 1.692 -4.776 -7.729
276 3HD1 LEU 17 HD11 LEU 17 1.262 -6.337 -8.430
277 1HD2 LEU 17 HD22 LEU 17 2.575 -5.232 -5.128
278 2HD2 LEU 17 HD21 LEU 17 2.737 -6.989 -5.138
279 3HD2 LEU 17 HD23 LEU 17 3.203 -6.051 -6.558
280 H VAL 18 HN VAL 18 -1.988 -5.645 -3.159
281 HA VAL 18 HA VAL 18 -1.747 -8.452 -2.312
282 HB VAL 18 HB VAL 18 -2.629 -6.029 -0.711
283 1HG1 VAL 18 HG13 VAL 18 -1.921 -8.875 -0.058
284 2HG1 VAL 18 HG12 VAL 18 -1.604 -7.601 1.122
285 3HG1 VAL 18 HG11 VAL 18 -3.250 -7.889 0.557
286 1HG2 VAL 18 HG23 VAL 18 0.052 -7.110 -1.484
287 2HG2 VAL 18 HG22 VAL 18 -0.469 -5.435 -1.284
288 3HG2 VAL 18 HG21 VAL 18 -0.148 -6.434 0.133
289 H CYS 19 HN CYS 19 -4.358 -6.129 -1.531
290 HA CYS 19 HA CYS 19 -6.342 -8.176 -1.304
291 1HB CYS 19 HB2 CYS 19 -6.410 -5.177 -1.527
292 2HB CYS 19 HB1 CYS 19 -7.912 -6.099 -1.589
293 H GLY 20 HN GLY 20 -6.113 -5.598 -3.783
294 1HA GLY 20 HA2 GLY 20 -6.545 -5.696 -6.092
295 2HA GLY 20 HA1 GLY 20 -6.551 -7.455 -5.967
296 H GLU 21 HN GLU 21 -8.667 -5.866 -3.751
297 HA GLU 21 HA GLU 21 -10.989 -6.895 -5.260
298 1HB GLU 21 HB2 GLU 21 -10.667 -5.747 -2.475
299 2HB GLU 21 HB1 GLU 21 -12.232 -6.192 -3.158
300 1HG GLU 21 HG2 GLU 21 -9.877 -8.085 -2.927
301 2HG GLU 21 HG1 GLU 21 -11.208 -8.014 -1.773
302 H ARG 22 HN ARG 22 -12.870 -5.488 -5.622
303 HA ARG 22 HA ARG 22 -12.027 -2.786 -6.451
304 1HB ARG 22 HB2 ARG 22 -13.802 -4.666 -7.490
305 2HB ARG 22 HB1 ARG 22 -14.864 -3.442 -6.797
306 1HG ARG 22 HG2 ARG 22 -12.976 -1.883 -8.049
307 2HG ARG 22 HG1 ARG 22 -13.066 -3.268 -9.132
308 1HD ARG 22 HD2 ARG 22 -15.121 -2.693 -9.865
309 2HD ARG 22 HD1 ARG 22 -15.716 -2.373 -8.240
310 HE ARG 22 HE ARG 22 -14.957 -0.407 -10.163
311 1HH1 ARG 22 HH21 ARG 22 -14.462 -1.087 -6.776
312 2HH1 ARG 22 HH22 ARG 22 -13.930 0.520 -6.430
313 1HH2 ARG 22 HH11 ARG 22 -14.292 1.660 -9.676
314 2HH2 ARG 22 HH12 ARG 22 -13.842 2.068 -8.054
315 H GLY 23 HN GLY 23 -12.200 -1.135 -5.023
316 1HA GLY 23 HA2 GLY 23 -13.057 0.242 -3.325
317 2HA GLY 23 HA1 GLY 23 -14.620 -0.528 -3.610
318 H GLY 24 HN GLY 24 -11.650 -2.204 -2.691
319 1HA GLY 24 HA2 GLY 24 -13.006 -3.018 -0.153
320 2HA GLY 24 HA1 GLY 24 -11.871 -4.040 -1.037
321 H PHE 25 HN PHE 25 -10.198 -1.456 -1.489
322 HA PHE 25 HA PHE 25 -9.042 -1.328 1.266
323 1HB PHE 25 HB2 PHE 25 -6.789 -1.217 0.172
324 2HB PHE 25 HB1 PHE 25 -7.609 -2.758 -0.073
325 HD1 PHE 25 HD2 PHE 25 -6.782 0.497 -1.667
326 HD2 PHE 25 HD1 PHE 25 -8.268 -3.491 -2.250
327 HE1 PHE 25 HE2 PHE 25 -6.622 0.796 -4.122
328 HE2 PHE 25 HE1 PHE 25 -8.109 -3.191 -4.708
329 HZ PHE 25 HZ PHE 25 -7.286 -1.047 -5.643
330 H TYR 26 HN TYR 26 -7.178 0.539 1.043
331 HA TYR 26 HA TYR 26 -8.581 3.009 0.930
332 1HB TYR 26 HB2 TYR 26 -6.635 2.897 2.281
333 2HB TYR 26 HB1 TYR 26 -5.659 2.251 0.976
334 HD1 TYR 26 HD2 TYR 26 -7.962 5.216 0.942
335 HD2 TYR 26 HD1 TYR 26 -3.915 3.783 0.724
336 HE1 TYR 26 HE2 TYR 26 -7.176 7.507 0.414
337 HE2 TYR 26 HE1 TYR 26 -3.132 6.075 0.197
338 HH TYR 26 HH TYR 26 -3.983 8.144 -0.697
339 H THR 27 HN THR 27 -9.526 3.643 -0.949
340 HA THR 27 HA THR 27 -7.773 3.981 -3.339
341 HB THR 27 HB THR 27 -10.447 3.503 -4.245
342 HG1 THR 27 HG1 THR 27 -11.105 2.105 -2.841
343 1HG2 THR 27 HG22 THR 27 -7.730 2.395 -4.594
344 2HG2 THR 27 HG21 THR 27 -9.045 1.287 -4.979
345 3HG2 THR 27 HG23 THR 27 -8.931 2.839 -5.806
346 HA PRO 28 HA PRO 28 -9.783 7.955 -2.171
347 1HB PRO 28 HB2 PRO 28 -7.714 9.451 -3.365
348 2HB PRO 28 HB1 PRO 28 -7.879 9.074 -1.644
349 1HG PRO 28 HG2 PRO 28 -5.991 7.970 -3.588
350 2HG PRO 28 HG1 PRO 28 -5.977 7.848 -1.827
351 1HD PRO 28 HD2 PRO 28 -6.678 5.801 -3.671
352 2HD PRO 28 HD1 PRO 28 -6.831 5.745 -1.907
353 H LYS 29 HN LYS 29 -11.379 7.392 -3.886
354 HA LYS 29 HA LYS 29 -11.652 9.249 -5.934
355 1HB LYS 29 HB2 LYS 29 -11.163 7.782 -7.980
356 2HB LYS 29 HB1 LYS 29 -9.762 8.461 -7.161
357 1HG LYS 29 HG2 LYS 29 -9.851 6.183 -5.802
358 2HG LYS 29 HG1 LYS 29 -10.729 5.628 -7.225
359 1HD LYS 29 HD2 LYS 29 -8.174 7.152 -7.593
360 2HD LYS 29 HD1 LYS 29 -8.100 5.446 -7.150
361 1HE LYS 29 HE2 LYS 29 -8.095 5.416 -9.513
362 2HE LYS 29 HE1 LYS 29 -9.773 5.075 -9.088
363 1HZ LYS 29 HZ1 LYS 29 -8.948 7.866 -9.460
364 2HZ LYS 29 HZ3 LYS 29 -9.190 6.903 -10.834
365 3HZ LYS 29 HZ2 LYS 29 -10.460 7.139 -9.731
No H/Q in entry = 365
Start of MODEL 15
1 1H GLY 1 HT2 GLY 1 -2.060 5.964 12.284
2 2H GLY 1 HT1 GLY 1 -0.389 6.160 12.524
3 3H GLY 1 HT3 GLY 1 -1.447 7.449 12.834
4 1HA GLY 1 HA2 GLY 1 -1.922 7.770 10.566
5 2HA GLY 1 HA1 GLY 1 -0.170 7.595 10.690
6 H ILE 2 HN ILE 2 -0.974 7.029 8.256
7 HA ILE 2 HA ILE 2 -0.915 4.056 8.144
8 HB ILE 2 HB ILE 2 -3.244 4.713 7.761
9 1HG1 ILE 2 HG12 ILE 2 -2.031 4.047 5.069
10 2HG1 ILE 2 HG11 ILE 2 -2.129 2.872 6.381
11 1HG2 ILE 2 HG21 ILE 2 -2.593 7.043 6.935
12 2HG2 ILE 2 HG23 ILE 2 -2.303 6.294 5.366
13 3HG2 ILE 2 HG22 ILE 2 -3.916 6.251 6.078
14 1HD1 ILE 2 HD12 ILE 2 -4.587 4.400 5.574
15 2HD1 ILE 2 HD11 ILE 2 -4.078 3.004 4.623
16 3HD1 ILE 2 HD13 ILE 2 -4.464 2.814 6.334
17 H VAL 3 HN VAL 3 -0.567 7.065 6.210
18 HA VAL 3 HA VAL 3 1.310 5.659 4.409
19 HB VAL 3 HB VAL 3 0.344 8.535 4.333
20 1HG1 VAL 3 HG13 VAL 3 2.126 6.849 2.624
21 2HG1 VAL 3 HG12 VAL 3 1.024 7.956 1.804
22 3HG1 VAL 3 HG11 VAL 3 2.201 8.579 2.960
23 1HG2 VAL 3 HG21 VAL 3 -0.800 5.956 3.374
24 2HG2 VAL 3 HG23 VAL 3 -1.620 7.452 3.827
25 3HG2 VAL 3 HG22 VAL 3 -0.862 7.307 2.242
26 H GLU 4 HN GLU 4 1.363 7.811 7.141
27 HA GLU 4 HA GLU 4 4.135 8.669 6.608
28 1HB GLU 4 HB2 GLU 4 2.209 9.230 8.881
29 2HB GLU 4 HB1 GLU 4 3.850 9.874 8.804
30 1HG GLU 4 HG2 GLU 4 3.372 11.252 6.990
31 2HG GLU 4 HG1 GLU 4 2.037 10.240 6.443
32 H GLN 5 HN GLN 5 4.390 6.080 6.684
33 HA GLN 5 HA GLN 5 5.736 5.537 9.253
34 1HB GLN 5 HB2 GLN 5 3.265 4.661 9.252
35 2HB GLN 5 HB1 GLN 5 3.890 3.418 8.170
36 1HG GLN 5 HG2 GLN 5 4.490 2.299 10.045
37 2HG GLN 5 HG1 GLN 5 5.789 3.480 10.193
38 1HE2 GLN 5 HE22 GLN 5 2.550 3.707 12.684
39 2HE2 GLN 5 HE21 GLN 5 2.515 2.677 11.337
40 H CYS 6 HN CYS 6 4.828 4.252 6.044
41 HA CYS 6 HA CYS 6 7.574 3.078 5.862
42 1HB CYS 6 HB2 CYS 6 5.080 2.236 4.361
43 2HB CYS 6 HB1 CYS 6 6.656 1.442 4.307
44 H CYS 7 HN CYS 7 6.284 5.845 5.049
45 HA CYS 7 HA CYS 7 6.540 5.913 2.159
46 1HB CYS 7 HB2 CYS 7 5.835 7.764 4.301
47 2HB CYS 7 HB1 CYS 7 6.902 8.531 3.127
48 H THR 8 HN THR 8 8.701 6.376 4.884
49 HA THR 8 HA THR 8 10.838 7.529 3.234
50 HB THR 8 HB THR 8 11.189 6.413 6.011
51 HG1 THR 8 HG1 THR 8 10.173 8.100 6.836
52 1HG2 THR 8 HG21 THR 8 12.985 7.508 4.360
53 2HG2 THR 8 HG23 THR 8 12.315 8.993 5.033
54 3HG2 THR 8 HG22 THR 8 13.032 7.787 6.100
55 H SER 9 HN SER 9 10.326 4.444 4.988
56 HA SER 9 HA SER 9 12.363 3.231 3.159
57 1HB SER 9 HB2 SER 9 12.577 1.564 5.191
58 2HB SER 9 HB1 SER 9 13.438 3.100 5.215
59 HG SER 9 HG SER 9 11.929 2.343 7.064
60 H ILE 10 HN ILE 10 12.044 0.813 2.927
61 HA ILE 10 HA ILE 10 9.200 0.295 2.383
62 HB ILE 10 HB ILE 10 11.682 -0.426 1.185
63 1HG1 ILE 10 HG12 ILE 10 8.981 -1.502 0.396
64 2HG1 ILE 10 HG11 ILE 10 9.400 0.198 0.211
65 1HG2 ILE 10 HG21 ILE 10 10.114 -2.886 2.008
66 2HG2 ILE 10 HG23 ILE 10 11.421 -2.854 0.822
67 3HG2 ILE 10 HG22 ILE 10 11.755 -2.488 2.517
68 1HD1 ILE 10 HD12 ILE 10 11.592 -1.246 -0.839
69 2HD1 ILE 10 HD11 ILE 10 10.143 -2.038 -1.456
70 3HD1 ILE 10 HD13 ILE 10 10.395 -0.319 -1.742
71 H CYS 11 HN CYS 11 7.932 -0.703 3.852
72 HA CYS 11 HA CYS 11 9.130 -1.934 6.225
73 1HB CYS 11 HB2 CYS 11 6.258 -1.500 5.373
74 2HB CYS 11 HB1 CYS 11 6.717 -2.253 6.899
75 H SER 12 HN SER 12 6.268 -3.360 4.674
76 HA SER 12 HA SER 12 7.527 -5.590 3.438
77 1HB SER 12 HB2 SER 12 8.309 -6.307 5.583
78 2HB SER 12 HB1 SER 12 6.760 -5.954 6.344
79 HG SER 12 HG SER 12 6.405 -7.994 5.935
80 H LEU 13 HN LEU 13 5.877 -7.404 3.096
81 HA LEU 13 HA LEU 13 3.397 -6.260 2.202
82 1HB LEU 13 HB2 LEU 13 4.809 -8.727 1.914
83 2HB LEU 13 HB1 LEU 13 3.177 -9.119 2.449
84 HG LEU 13 HG LEU 13 3.786 -7.248 0.145
85 1HD1 LEU 13 HD12 LEU 13 4.300 -9.918 0.098
86 2HD1 LEU 13 HD11 LEU 13 2.595 -9.919 -0.350
87 3HD1 LEU 13 HD13 LEU 13 3.758 -9.009 -1.314
88 1HD2 LEU 13 HD23 LEU 13 1.315 -8.380 1.423
89 2HD2 LEU 13 HD22 LEU 13 1.624 -6.740 0.852
90 3HD2 LEU 13 HD21 LEU 13 1.304 -8.030 -0.307
91 H TYR 14 HN TYR 14 4.296 -8.033 5.134
92 HA TYR 14 HA TYR 14 1.668 -8.649 6.020
93 1HB TYR 14 HB2 TYR 14 2.676 -9.409 7.938
94 2HB TYR 14 HB1 TYR 14 4.117 -9.270 6.943
95 HD1 TYR 14 HD2 TYR 14 4.960 -6.588 6.936
96 HD2 TYR 14 HD1 TYR 14 2.978 -8.696 10.106
97 HE1 TYR 14 HE2 TYR 14 5.904 -4.994 8.588
98 HE2 TYR 14 HE1 TYR 14 3.920 -7.105 11.757
99 HH TYR 14 HH TYR 14 4.789 -4.799 11.795
100 H GLN 15 HN GLN 15 3.316 -5.598 5.889
101 HA GLN 15 HA GLN 15 1.708 -4.298 7.938
102 1HB GLN 15 HB2 GLN 15 4.031 -3.592 7.028
103 2HB GLN 15 HB1 GLN 15 3.126 -2.861 5.702
104 1HG GLN 15 HG2 GLN 15 3.229 -1.085 7.209
105 2HG GLN 15 HG1 GLN 15 1.688 -1.820 7.649
106 1HE2 GLN 15 HE22 GLN 15 2.983 -1.828 10.960
107 2HE2 GLN 15 HE21 GLN 15 1.867 -1.116 9.898
108 H LEU 16 HN LEU 16 1.705 -4.172 4.352
109 HA LEU 16 HA LEU 16 -0.650 -2.530 4.198
110 1HB LEU 16 HB2 LEU 16 0.962 -4.146 2.286
111 2HB LEU 16 HB1 LEU 16 -0.697 -3.781 1.811
112 HG LEU 16 HG LEU 16 1.324 -1.713 2.725
113 1HD1 LEU 16 HD11 LEU 16 0.544 -2.758 0.025
114 2HD1 LEU 16 HD13 LEU 16 0.945 -1.051 0.198
115 3HD1 LEU 16 HD12 LEU 16 2.134 -2.281 0.621
116 1HD2 LEU 16 HD22 LEU 16 -1.568 -1.667 1.983
117 2HD2 LEU 16 HD21 LEU 16 -0.690 -0.662 3.134
118 3HD2 LEU 16 HD23 LEU 16 -0.574 -0.330 1.407
119 H GLU 17 HN GLU 17 -0.216 -5.935 4.766
120 HA GLU 17 HA GLU 17 -2.631 -7.005 3.769
121 1HB GLU 17 HB2 GLU 17 -0.587 -8.102 5.079
122 2HB GLU 17 HB1 GLU 17 -1.674 -7.905 6.456
123 1HG GLU 17 HG2 GLU 17 -3.354 -9.258 5.471
124 2HG GLU 17 HG1 GLU 17 -2.610 -9.161 3.876
125 H ASN 18 HN ASN 18 -2.133 -4.836 6.455
126 HA ASN 18 HA ASN 18 -4.869 -5.365 7.487
127 1HB ASN 18 HB2 ASN 18 -2.583 -4.902 8.851
128 2HB ASN 18 HB1 ASN 18 -3.168 -3.245 8.699
129 1HD2 ASN 18 HD22 ASN 18 -5.053 -5.820 11.211
130 2HD2 ASN 18 HD21 ASN 18 -3.717 -6.312 10.288
131 H TYR 19 HN TYR 19 -4.534 -4.120 4.878
132 HA TYR 19 HA TYR 19 -5.504 -1.349 5.443
133 1HB TYR 19 HB2 TYR 19 -4.017 -2.568 3.136
134 2HB TYR 19 HB1 TYR 19 -5.023 -1.147 2.866
135 HD1 TYR 19 HD2 TYR 19 -2.725 -2.265 5.618
136 HD2 TYR 19 HD1 TYR 19 -3.773 0.816 2.815
137 HE1 TYR 19 HE2 TYR 19 -0.916 -0.828 6.520
138 HE2 TYR 19 HE1 TYR 19 -1.965 2.256 3.719
139 HH TYR 19 HH TYR 19 0.525 1.235 5.387
140 H CYS 20 HN CYS 20 -6.723 -4.375 4.778
141 HA CYS 20 HA CYS 20 -8.830 -3.413 2.920
142 1HB CYS 20 HB2 CYS 20 -7.542 -5.953 3.435
143 2HB CYS 20 HB1 CYS 20 -9.284 -6.113 3.614
144 H ASN 21 HN ASN 21 -8.782 -2.399 5.632
145 HA ASN 21 HA ASN 21 -10.577 -3.794 7.364
146 1HB ASN 21 HB2 ASN 21 -9.263 -1.219 7.279
147 2HB ASN 21 HB1 ASN 21 -10.941 -1.005 7.773
148 1HD2 ASN 21 HD22 ASN 21 -10.411 -3.376 10.596
149 2HD2 ASN 21 HD21 ASN 21 -11.457 -3.295 9.263
150 1H PHE 1 HT2 PHE 1 7.799 -8.029 0.014
151 2H PHE 1 HT1 PHE 1 6.118 -8.230 0.162
152 3H PHE 1 HT3 PHE 1 7.025 -9.334 -0.752
153 HA PHE 1 HA PHE 1 6.082 -8.022 -2.379
154 1HB PHE 1 HB2 PHE 1 5.452 -6.324 -0.417
155 2HB PHE 1 HB1 PHE 1 6.859 -5.460 -1.018
156 HD1 PHE 1 HD1 PHE 1 5.805 -6.932 -3.940
157 HD2 PHE 1 HD2 PHE 1 4.431 -4.011 -1.113
158 HE1 PHE 1 HE1 PHE 1 4.456 -5.885 -5.704
159 HE2 PHE 1 HE2 PHE 1 3.055 -2.965 -2.887
160 HZ PHE 1 HZ PHE 1 3.071 -3.902 -5.182
161 H VAL 2 HN VAL 2 7.391 -7.712 -4.149
162 HA VAL 2 HA VAL 2 10.064 -8.060 -4.354
163 HB VAL 2 HB VAL 2 9.922 -6.318 -6.348
164 1HG1 VAL 2 HG12 VAL 2 9.740 -8.963 -6.177
165 2HG1 VAL 2 HG11 VAL 2 8.066 -8.642 -6.627
166 3HG1 VAL 2 HG13 VAL 2 9.377 -8.119 -7.684
167 1HG2 VAL 2 HG22 VAL 2 7.468 -5.766 -5.148
168 2HG2 VAL 2 HG21 VAL 2 7.892 -5.392 -6.814
169 3HG2 VAL 2 HG23 VAL 2 7.028 -6.881 -6.438
170 H ASN 3 HN ASN 3 8.981 -4.636 -4.595
171 HA ASN 3 HA ASN 3 10.611 -3.664 -2.481
172 1HB ASN 3 HB2 ASN 3 12.434 -2.613 -3.856
173 2HB ASN 3 HB1 ASN 3 12.524 -4.373 -3.788
174 1HD2 ASN 3 HD22 ASN 3 11.823 -4.815 -7.247
175 2HD2 ASN 3 HD21 ASN 3 11.947 -5.582 -5.738
176 H GLN 4 HN GLN 4 8.120 -2.985 -3.067
177 HA GLN 4 HA GLN 4 8.205 -0.441 -4.621
178 1HB GLN 4 HB2 GLN 4 6.000 -2.316 -3.779
179 2HB GLN 4 HB1 GLN 4 5.630 -0.647 -4.222
180 1HG GLN 4 HG2 GLN 4 7.115 -1.175 -6.328
181 2HG GLN 4 HG1 GLN 4 6.750 -2.852 -5.927
182 1HE2 GLN 4 HE22 GLN 4 3.599 -0.408 -6.966
183 2HE2 GLN 4 HE21 GLN 4 4.954 0.278 -6.207
184 H HIS 5 HN HIS 5 8.327 1.433 -3.467
185 HA HIS 5 HA HIS 5 8.027 1.338 -0.546
186 1HB HIS 5 HB2 HIS 5 9.028 3.349 -2.525
187 2HB HIS 5 HB1 HIS 5 8.525 3.910 -0.929
188 HD1 HIS 5 HD1 HIS 5 11.287 2.233 -2.685
189 HD2 HIS 5 HD2 HIS 5 9.984 2.555 1.262
190 HE1 HIS 5 HE1 HIS 5 13.210 1.461 -1.228
191 H LEU 6 HN LEU 6 6.370 2.190 0.615
192 HA LEU 6 HA LEU 6 3.875 2.757 -0.800
193 1HB LEU 6 HB2 LEU 6 4.473 2.878 2.169
194 2HB LEU 6 HB1 LEU 6 2.884 2.769 1.420
195 HG LEU 6 HG LEU 6 5.053 0.679 1.102
196 1HD1 LEU 6 HD12 LEU 6 2.986 1.117 3.185
197 2HD1 LEU 6 HD11 LEU 6 3.078 -0.523 2.539
198 3HD1 LEU 6 HD13 LEU 6 4.500 0.218 3.271
199 1HD2 LEU 6 HD23 LEU 6 3.345 0.856 -0.725
200 2HD2 LEU 6 HD22 LEU 6 3.258 -0.674 0.149
201 3HD2 LEU 6 HD21 LEU 6 2.082 0.598 0.480
202 H CYS 7 HN CYS 7 4.098 4.780 -1.815
203 HA CYS 7 HA CYS 7 3.600 7.098 -0.188
204 1HB CYS 7 HB2 CYS 7 6.277 6.469 -0.265
205 2HB CYS 7 HB1 CYS 7 6.138 7.583 -1.624
206 H GLY 8 HN GLY 8 2.245 8.226 -1.485
207 1HA GLY 8 HA2 GLY 8 1.569 9.439 -3.416
208 2HA GLY 8 HA1 GLY 8 2.981 8.810 -4.269
209 H SER 9 HN SER 9 1.937 8.002 -6.096
210 HA SER 9 HA SER 9 -0.506 6.480 -6.020
211 1HB SER 9 HB2 SER 9 -0.122 6.036 -8.324
212 2HB SER 9 HB1 SER 9 0.553 7.638 -8.050
213 HG SER 9 HG SER 9 1.775 5.362 -8.842
214 H HIS 10 HN HIS 10 2.841 5.633 -5.439
215 HA HIS 10 HA HIS 10 2.781 2.847 -5.983
216 1HB HIS 10 HB2 HIS 10 4.208 4.315 -3.741
217 2HB HIS 10 HB1 HIS 10 4.552 2.660 -4.244
218 HD1 HIS 10 HD1 HIS 10 6.635 5.037 -4.485
219 HD2 HIS 10 HD2 HIS 10 4.228 3.624 -7.582
220 HE1 HIS 10 HE1 HIS 10 7.785 5.694 -6.644
221 H LEU 11 HN LEU 11 1.421 4.716 -3.355
222 HA LEU 11 HA LEU 11 0.866 2.594 -1.514
223 1HB LEU 11 HB2 LEU 11 0.629 5.226 -1.304
224 2HB LEU 11 HB1 LEU 11 -1.005 4.921 -1.879
225 HG LEU 11 HG LEU 11 -0.995 4.938 0.557
226 1HD1 LEU 11 HD12 LEU 11 -2.395 3.233 -0.733
227 2HD1 LEU 11 HD11 LEU 11 -1.184 2.038 -0.271
228 3HD1 LEU 11 HD13 LEU 11 -2.113 2.878 0.970
229 1HD2 LEU 11 HD21 LEU 11 1.484 3.471 0.168
230 2HD2 LEU 11 HD23 LEU 11 0.888 4.296 1.607
231 3HD2 LEU 11 HD22 LEU 11 0.421 2.625 1.293
232 H VAL 12 HN VAL 12 -1.349 4.235 -3.793
233 HA VAL 12 HA VAL 12 -3.553 2.532 -3.571
234 HB VAL 12 HB VAL 12 -2.594 3.803 -6.151
235 1HG1 VAL 12 HG12 VAL 12 -5.205 2.722 -5.118
236 2HG1 VAL 12 HG11 VAL 12 -5.216 4.047 -6.281
237 3HG1 VAL 12 HG13 VAL 12 -4.462 2.508 -6.703
238 1HG2 VAL 12 HG21 VAL 12 -3.548 4.975 -3.619
239 2HG2 VAL 12 HG23 VAL 12 -2.692 5.733 -4.961
240 3HG2 VAL 12 HG22 VAL 12 -4.440 5.521 -5.039
241 H GLU 13 HN GLU 13 -0.932 2.215 -5.995
242 HA GLU 13 HA GLU 13 -1.880 -0.164 -7.200
243 1HB GLU 13 HB2 GLU 13 0.823 1.125 -6.960
244 2HB GLU 13 HB1 GLU 13 0.684 -0.484 -7.674
245 1HG GLU 13 HG2 GLU 13 -0.864 0.326 -9.350
246 2HG GLU 13 HG1 GLU 13 -0.935 1.911 -8.581
247 H ALA 14 HN ALA 14 -0.077 0.326 -4.228
248 HA ALA 14 HA ALA 14 0.743 -2.436 -3.922
249 1HB ALA 14 HB1 ALA 14 1.630 -0.245 -2.760
250 2HB ALA 14 HB3 ALA 14 0.345 -0.573 -1.599
251 3HB ALA 14 HB2 ALA 14 1.621 -1.763 -1.863
252 H LEU 15 HN LEU 15 -2.115 -0.576 -3.047
253 HA LEU 15 HA LEU 15 -3.184 -2.631 -1.275
254 1HB LEU 15 HB2 LEU 15 -4.753 -0.418 -2.625
255 2HB LEU 15 HB1 LEU 15 -5.149 -1.266 -1.133
256 HG LEU 15 HG LEU 15 -2.740 0.518 -1.525
257 1HD1 LEU 15 HD11 LEU 15 -5.494 0.990 -0.524
258 2HD1 LEU 15 HD13 LEU 15 -4.176 1.737 0.379
259 3HD1 LEU 15 HD12 LEU 15 -4.384 2.097 -1.335
260 1HD2 LEU 15 HD22 LEU 15 -3.769 -1.137 0.761
261 2HD2 LEU 15 HD21 LEU 15 -2.123 -1.012 0.135
262 3HD2 LEU 15 HD23 LEU 15 -2.815 0.316 1.066
263 H GLU 16 HN GLU 16 -3.414 -1.851 -4.693
264 HA GLU 16 HA GLU 16 -5.655 -3.634 -5.209
265 1HB GLU 16 HB2 GLU 16 -4.570 -1.605 -6.622
266 2HB GLU 16 HB1 GLU 16 -3.764 -2.966 -7.405
267 1HG GLU 16 HG2 GLU 16 -6.040 -4.047 -7.654
268 2HG GLU 16 HG1 GLU 16 -6.747 -2.528 -7.104
269 H LEU 17 HN LEU 17 -2.153 -3.915 -5.171
270 HA LEU 17 HA LEU 17 -2.142 -6.540 -6.460
271 1HB LEU 17 HB2 LEU 17 -0.232 -4.609 -6.099
272 2HB LEU 17 HB1 LEU 17 0.204 -5.759 -4.837
273 HG LEU 17 HG LEU 17 -0.068 -7.559 -6.690
274 1HD1 LEU 17 HD13 LEU 17 -1.095 -5.818 -8.267
275 2HD1 LEU 17 HD12 LEU 17 0.538 -5.176 -8.452
276 3HD1 LEU 17 HD11 LEU 17 0.178 -6.831 -8.948
277 1HD2 LEU 17 HD22 LEU 17 2.193 -5.543 -6.589
278 2HD2 LEU 17 HD21 LEU 17 2.093 -7.089 -5.745
279 3HD2 LEU 17 HD23 LEU 17 2.290 -7.053 -7.498
280 H VAL 18 HN VAL 18 -2.213 -5.284 -3.176
281 HA VAL 18 HA VAL 18 -1.682 -7.909 -1.975
282 HB VAL 18 HB VAL 18 -2.718 -5.366 -0.680
283 1HG1 VAL 18 HG12 VAL 18 -1.810 -8.037 0.316
284 2HG1 VAL 18 HG11 VAL 18 -1.403 -6.612 1.273
285 3HG1 VAL 18 HG13 VAL 18 -3.091 -6.990 0.925
286 1HG2 VAL 18 HG23 VAL 18 -0.288 -5.664 -1.931
287 2HG2 VAL 18 HG22 VAL 18 -0.584 -4.577 -0.573
288 3HG2 VAL 18 HG21 VAL 18 0.096 -6.178 -0.288
289 H CYS 19 HN CYS 19 -4.464 -5.688 -1.566
290 HA CYS 19 HA CYS 19 -6.253 -7.814 -0.816
291 1HB CYS 19 HB2 CYS 19 -6.640 -4.935 -1.635
292 2HB CYS 19 HB1 CYS 19 -8.023 -5.988 -1.335
293 H GLY 20 HN GLY 20 -6.479 -5.714 -3.713
294 1HA GLY 20 HA2 GLY 20 -6.773 -6.394 -5.976
295 2HA GLY 20 HA1 GLY 20 -6.854 -8.069 -5.437
296 H GLU 21 HN GLU 21 -8.916 -6.152 -3.542
297 HA GLU 21 HA GLU 21 -11.259 -7.272 -4.941
298 1HB GLU 21 HB2 GLU 21 -11.100 -5.661 -2.376
299 2HB GLU 21 HB1 GLU 21 -12.506 -6.550 -2.966
300 1HG GLU 21 HG2 GLU 21 -11.083 -8.644 -2.915
301 2HG GLU 21 HG1 GLU 21 -9.846 -7.699 -2.087
302 H ARG 22 HN ARG 22 -13.012 -5.941 -5.669
303 HA ARG 22 HA ARG 22 -12.151 -3.366 -6.754
304 1HB ARG 22 HB2 ARG 22 -14.100 -5.307 -7.417
305 2HB ARG 22 HB1 ARG 22 -15.005 -3.852 -7.007
306 1HG ARG 22 HG2 ARG 22 -14.484 -3.778 -9.375
307 2HG ARG 22 HG1 ARG 22 -13.504 -2.561 -8.560
308 1HD ARG 22 HD2 ARG 22 -12.174 -5.159 -8.638
309 2HD ARG 22 HD1 ARG 22 -12.562 -4.578 -10.253
310 HE ARG 22 HE ARG 22 -10.447 -3.625 -8.589
311 1HH1 ARG 22 HH21 ARG 22 -12.969 -2.339 -10.630
312 2HH1 ARG 22 HH22 ARG 22 -12.239 -0.776 -10.717
313 1HH2 ARG 22 HH11 ARG 22 -9.522 -1.604 -8.747
314 2HH2 ARG 22 HH12 ARG 22 -10.301 -0.363 -9.671
315 H GLY 23 HN GLY 23 -11.990 -1.769 -5.232
316 1HA GLY 23 HA2 GLY 23 -12.799 -0.090 -3.792
317 2HA GLY 23 HA1 GLY 23 -14.416 -0.770 -3.979
318 H GLY 24 HN GLY 24 -11.458 -2.373 -2.826
319 1HA GLY 24 HA2 GLY 24 -12.900 -2.963 -0.273
320 2HA GLY 24 HA1 GLY 24 -11.694 -4.030 -0.992
321 H PHE 25 HN PHE 25 -10.097 -1.465 -1.668
322 HA PHE 25 HA PHE 25 -8.929 -1.122 1.062
323 1HB PHE 25 HB2 PHE 25 -6.782 -0.648 -0.170
324 2HB PHE 25 HB1 PHE 25 -7.380 -2.289 -0.394
325 HD1 PHE 25 HD2 PHE 25 -6.894 0.998 -1.993
326 HD2 PHE 25 HD1 PHE 25 -8.330 -3.016 -2.517
327 HE1 PHE 25 HE2 PHE 25 -6.963 1.343 -4.449
328 HE2 PHE 25 HE1 PHE 25 -8.398 -2.670 -4.972
329 HZ PHE 25 HZ PHE 25 -7.716 -0.492 -5.937
330 H TYR 26 HN TYR 26 -7.319 1.029 0.667
331 HA TYR 26 HA TYR 26 -9.035 3.258 0.855
332 1HB TYR 26 HB2 TYR 26 -6.976 3.687 1.801
333 2HB TYR 26 HB1 TYR 26 -6.105 2.792 0.572
334 HD1 TYR 26 HD2 TYR 26 -8.396 5.776 0.478
335 HD2 TYR 26 HD1 TYR 26 -4.548 4.128 -0.491
336 HE1 TYR 26 HE2 TYR 26 -7.773 7.896 -0.648
337 HE2 TYR 26 HE1 TYR 26 -3.926 6.251 -1.620
338 HH TYR 26 HH TYR 26 -5.635 9.112 -1.234
339 H THR 27 HN THR 27 -10.493 3.370 -0.873
340 HA THR 27 HA THR 27 -9.309 4.109 -3.522
341 HB THR 27 HB THR 27 -11.634 3.232 -4.367
342 HG1 THR 27 HG1 THR 27 -12.748 2.195 -2.941
343 1HG2 THR 27 HG23 THR 27 -9.217 2.259 -4.609
344 2HG2 THR 27 HG22 THR 27 -9.762 1.084 -3.411
345 3HG2 THR 27 HG21 THR 27 -10.599 1.220 -4.958
346 HA PRO 28 HA PRO 28 -11.492 7.837 -1.965
347 1HB PRO 28 HB2 PRO 28 -10.363 9.266 -4.208
348 2HB PRO 28 HB1 PRO 28 -9.983 9.440 -2.489
349 1HG PRO 28 HG2 PRO 28 -8.365 8.227 -4.521
350 2HG PRO 28 HG1 PRO 28 -8.014 8.361 -2.790
351 1HD PRO 28 HD2 PRO 28 -8.734 5.999 -4.267
352 2HD PRO 28 HD1 PRO 28 -8.380 6.138 -2.536
353 H LYS 29 HN LYS 29 -12.587 9.651 -3.593
354 HA LYS 29 HA LYS 29 -14.375 8.035 -5.352
355 1HB LYS 29 HB2 LYS 29 -15.919 10.025 -5.127
356 2HB LYS 29 HB1 LYS 29 -15.602 9.177 -3.614
357 1HG LYS 29 HG2 LYS 29 -13.696 11.350 -4.259
358 2HG LYS 29 HG1 LYS 29 -15.344 11.876 -3.922
359 1HD LYS 29 HD2 LYS 29 -15.315 11.025 -1.744
360 2HD LYS 29 HD1 LYS 29 -14.016 9.885 -2.100
361 1HE LYS 29 HE2 LYS 29 -12.364 11.472 -1.843
362 2HE LYS 29 HE1 LYS 29 -13.397 12.787 -2.401
363 1HZ LYS 29 HZ1 LYS 29 -13.978 11.423 0.145
364 2HZ LYS 29 HZ3 LYS 29 -12.794 12.636 0.083
365 3HZ LYS 29 HZ2 LYS 29 -14.398 12.992 -0.350
No H/Q in entry = 365
Start of MODEL 16
1 1H GLY 1 HT2 GLY 1 1.810 6.649 12.052
2 2H GLY 1 HT1 GLY 1 1.800 7.729 10.740
3 3H GLY 1 HT3 GLY 1 1.468 8.294 12.304
4 1HA GLY 1 HA2 GLY 1 -0.574 7.064 12.396
5 2HA GLY 1 HA1 GLY 1 -0.552 8.066 10.943
6 H ILE 2 HN ILE 2 0.024 7.017 8.898
7 HA ILE 2 HA ILE 2 -0.062 4.052 8.909
8 HB ILE 2 HB ILE 2 -2.415 4.793 8.725
9 1HG1 ILE 2 HG12 ILE 2 -1.342 3.748 6.087
10 2HG1 ILE 2 HG11 ILE 2 -1.604 2.760 7.526
11 1HG2 ILE 2 HG22 ILE 2 -1.711 6.997 7.562
12 2HG2 ILE 2 HG21 ILE 2 -1.724 6.049 6.074
13 3HG2 ILE 2 HG23 ILE 2 -3.200 6.220 7.025
14 1HD1 ILE 2 HD12 ILE 2 -4.025 3.889 7.397
15 2HD1 ILE 2 HD11 ILE 2 -3.606 3.994 5.687
16 3HD1 ILE 2 HD13 ILE 2 -3.638 2.425 6.492
17 H VAL 3 HN VAL 3 0.153 6.987 6.872
18 HA VAL 3 HA VAL 3 1.854 5.519 4.945
19 HB VAL 3 HB VAL 3 0.845 8.380 4.885
20 1HG1 VAL 3 HG11 VAL 3 2.577 6.737 3.121
21 2HG1 VAL 3 HG13 VAL 3 1.320 7.666 2.306
22 3HG1 VAL 3 HG12 VAL 3 2.508 8.488 3.318
23 1HG2 VAL 3 HG22 VAL 3 -0.330 5.763 4.099
24 2HG2 VAL 3 HG21 VAL 3 -1.133 7.263 4.561
25 3HG2 VAL 3 HG23 VAL 3 -0.502 7.069 2.926
26 H GLU 4 HN GLU 4 2.179 7.653 7.654
27 HA GLU 4 HA GLU 4 4.857 8.577 6.831
28 1HB GLU 4 HB2 GLU 4 2.939 9.216 9.020
29 2HB GLU 4 HB1 GLU 4 4.653 9.446 9.366
30 1HG GLU 4 HG2 GLU 4 4.904 11.091 7.747
31 2HG GLU 4 HG1 GLU 4 3.553 10.492 6.782
32 H GLN 5 HN GLN 5 5.030 5.913 6.869
33 HA GLN 5 HA GLN 5 6.652 5.371 9.301
34 1HB GLN 5 HB2 GLN 5 4.360 4.357 9.587
35 2HB GLN 5 HB1 GLN 5 4.675 3.375 8.157
36 1HG GLN 5 HG2 GLN 5 6.368 2.147 9.211
37 2HG GLN 5 HG1 GLN 5 6.648 3.392 10.427
38 1HE2 GLN 5 HE22 GLN 5 4.437 1.890 12.704
39 2HE2 GLN 5 HE21 GLN 5 5.775 2.900 12.440
40 H CYS 6 HN CYS 6 5.616 4.076 6.132
41 HA CYS 6 HA CYS 6 8.479 3.415 5.593
42 1HB CYS 6 HB2 CYS 6 6.055 1.774 4.800
43 2HB CYS 6 HB1 CYS 6 7.728 1.403 4.384
44 H CYS 7 HN CYS 7 6.913 5.784 4.901
45 HA CYS 7 HA CYS 7 6.016 5.681 2.175
46 1HB CYS 7 HB2 CYS 7 5.998 7.557 4.225
47 2HB CYS 7 HB1 CYS 7 7.104 8.271 3.055
48 H THR 8 HN THR 8 9.028 7.072 3.537
49 HA THR 8 HA THR 8 10.249 7.489 0.972
50 HB THR 8 HB THR 8 11.897 7.087 3.441
51 HG1 THR 8 HG1 THR 8 11.235 9.125 4.151
52 1HG2 THR 8 HG21 THR 8 11.867 9.023 1.115
53 2HG2 THR 8 HG23 THR 8 12.945 9.191 2.502
54 3HG2 THR 8 HG22 THR 8 13.067 7.775 1.457
55 H SER 9 HN SER 9 10.180 4.717 3.136
56 HA SER 9 HA SER 9 12.032 3.300 1.253
57 1HB SER 9 HB2 SER 9 11.500 2.323 4.042
58 2HB SER 9 HB1 SER 9 12.922 2.081 3.032
59 HG SER 9 HG SER 9 13.256 4.398 3.262
60 H ILE 10 HN ILE 10 11.476 0.691 2.149
61 HA ILE 10 HA ILE 10 8.661 0.394 1.205
62 HB ILE 10 HB ILE 10 10.059 -2.106 0.992
63 1HG1 ILE 10 HG12 ILE 10 11.532 0.216 -0.318
64 2HG1 ILE 10 HG11 ILE 10 12.175 -0.821 0.953
65 1HG2 ILE 10 HG23 ILE 10 9.105 -0.095 -1.062
66 2HG2 ILE 10 HG22 ILE 10 9.537 -1.765 -1.422
67 3HG2 ILE 10 HG21 ILE 10 8.163 -1.415 -0.376
68 1HD1 ILE 10 HD12 ILE 10 11.280 -1.804 -1.775
69 2HD1 ILE 10 HD11 ILE 10 12.956 -1.485 -1.329
70 3HD1 ILE 10 HD13 ILE 10 12.056 -2.768 -0.517
71 H CYS 11 HN CYS 11 7.234 -0.542 2.561
72 HA CYS 11 HA CYS 11 8.168 -1.383 5.217
73 1HB CYS 11 HB2 CYS 11 5.871 -0.137 4.254
74 2HB CYS 11 HB1 CYS 11 5.314 -1.762 4.643
75 H SER 12 HN SER 12 6.269 -3.330 5.866
76 HA SER 12 HA SER 12 7.289 -5.633 4.275
77 1HB SER 12 HB2 SER 12 6.420 -5.248 7.099
78 2HB SER 12 HB1 SER 12 6.124 -6.823 6.370
79 HG SER 12 HG SER 12 8.221 -6.524 7.414
80 H LEU 13 HN LEU 13 5.735 -7.423 3.876
81 HA LEU 13 HA LEU 13 3.346 -6.467 2.608
82 1HB LEU 13 HB2 LEU 13 4.852 -8.819 2.565
83 2HB LEU 13 HB1 LEU 13 3.300 -9.325 3.234
84 HG LEU 13 HG LEU 13 3.542 -7.639 0.730
85 1HD1 LEU 13 HD11 LEU 13 3.387 -10.644 1.071
86 2HD1 LEU 13 HD13 LEU 13 2.996 -9.824 -0.440
87 3HD1 LEU 13 HD12 LEU 13 4.628 -9.723 0.221
88 1HD2 LEU 13 HD23 LEU 13 1.306 -9.295 1.943
89 2HD2 LEU 13 HD22 LEU 13 1.376 -7.535 1.872
90 3HD2 LEU 13 HD21 LEU 13 1.217 -8.473 0.386
91 H TYR 14 HN TYR 14 3.925 -7.968 5.781
92 HA TYR 14 HA TYR 14 1.194 -8.485 6.408
93 1HB TYR 14 HB2 TYR 14 1.887 -8.735 8.688
94 2HB TYR 14 HB1 TYR 14 3.207 -9.333 7.693
95 HD1 TYR 14 HD1 TYR 14 2.028 -6.406 9.673
96 HD2 TYR 14 HD2 TYR 14 5.372 -8.336 7.792
97 HE1 TYR 14 HE1 TYR 14 3.571 -4.815 10.786
98 HE2 TYR 14 HE2 TYR 14 6.915 -6.749 8.909
99 HH TYR 14 HH TYR 14 6.091 -4.888 11.487
100 H GLN 15 HN GLN 15 2.974 -5.496 6.298
101 HA GLN 15 HA GLN 15 1.278 -3.967 8.055
102 1HB GLN 15 HB2 GLN 15 3.588 -3.311 7.178
103 2HB GLN 15 HB1 GLN 15 2.786 -2.883 5.667
104 1HG GLN 15 HG2 GLN 15 2.638 -0.842 6.723
105 2HG GLN 15 HG1 GLN 15 1.166 -1.577 7.360
106 1HE2 GLN 15 HE22 GLN 15 2.397 -1.815 10.676
107 2HE2 GLN 15 HE21 GLN 15 1.150 -2.237 9.604
108 H LEU 16 HN LEU 16 1.403 -4.084 4.472
109 HA LEU 16 HA LEU 16 -1.046 -2.630 4.119
110 1HB LEU 16 HB2 LEU 16 0.493 -4.489 2.299
111 2HB LEU 16 HB1 LEU 16 -0.955 -3.622 1.784
112 HG LEU 16 HG LEU 16 1.302 -2.127 3.091
113 1HD1 LEU 16 HD13 LEU 16 1.808 -3.665 0.888
114 2HD1 LEU 16 HD12 LEU 16 1.260 -2.168 0.135
115 3HD1 LEU 16 HD11 LEU 16 2.633 -2.145 1.240
116 1HD2 LEU 16 HD22 LEU 16 -1.193 -1.377 2.262
117 2HD2 LEU 16 HD21 LEU 16 0.182 -0.278 2.343
118 3HD2 LEU 16 HD23 LEU 16 -0.249 -1.036 0.811
119 H GLU 17 HN GLU 17 -0.477 -5.872 5.112
120 HA GLU 17 HA GLU 17 -2.742 -7.192 3.986
121 1HB GLU 17 HB2 GLU 17 -0.764 -8.212 5.279
122 2HB GLU 17 HB1 GLU 17 -1.633 -7.751 6.743
123 1HG GLU 17 HG2 GLU 17 -3.615 -9.031 5.924
124 2HG GLU 17 HG1 GLU 17 -2.660 -9.565 4.540
125 H ASN 18 HN ASN 18 -2.390 -5.037 6.745
126 HA ASN 18 HA ASN 18 -5.231 -5.481 7.509
127 1HB ASN 18 HB2 ASN 18 -2.869 -4.164 8.834
128 2HB ASN 18 HB1 ASN 18 -4.508 -3.787 9.366
129 1HD2 ASN 18 HD22 ASN 18 -2.818 -7.199 10.606
130 2HD2 ASN 18 HD21 ASN 18 -1.948 -5.942 9.867
131 H TYR 19 HN TYR 19 -4.508 -4.122 5.010
132 HA TYR 19 HA TYR 19 -5.477 -1.355 5.607
133 1HB TYR 19 HB2 TYR 19 -3.700 -2.468 3.443
134 2HB TYR 19 HB1 TYR 19 -4.577 -0.960 3.191
135 HD1 TYR 19 HD2 TYR 19 -2.717 -2.515 6.071
136 HD2 TYR 19 HD1 TYR 19 -3.266 0.926 3.558
137 HE1 TYR 19 HE2 TYR 19 -0.989 -1.298 7.363
138 HE2 TYR 19 HE1 TYR 19 -1.530 2.143 4.852
139 HH TYR 19 HH TYR 19 0.675 0.955 6.525
140 H CYS 20 HN CYS 20 -6.472 -4.342 4.339
141 HA CYS 20 HA CYS 20 -8.153 -3.381 2.185
142 1HB CYS 20 HB2 CYS 20 -8.037 -5.966 3.737
143 2HB CYS 20 HB1 CYS 20 -9.226 -5.681 2.467
144 H ASN 21 HN ASN 21 -8.489 -3.578 5.619
145 HA ASN 21 HA ASN 21 -11.370 -3.627 5.740
146 1HB ASN 21 HB2 ASN 21 -9.418 -3.915 7.600
147 2HB ASN 21 HB1 ASN 21 -9.882 -2.241 7.906
148 1HD2 ASN 21 HD22 ASN 21 -12.260 -5.164 9.248
149 2HD2 ASN 21 HD21 ASN 21 -10.674 -5.424 8.702
150 1H PHE 1 HT1 PHE 1 5.867 -3.109 -1.101
151 2H PHE 1 HT3 PHE 1 4.860 -2.580 0.158
152 3H PHE 1 HT2 PHE 1 6.533 -2.337 0.254
153 HA PHE 1 HA PHE 1 5.996 -4.113 1.676
154 1HB PHE 1 HB2 PHE 1 4.949 -6.216 0.589
155 2HB PHE 1 HB1 PHE 1 3.891 -4.862 0.934
156 HD1 PHE 1 HD1 PHE 1 3.463 -3.165 -1.009
157 HD2 PHE 1 HD2 PHE 1 5.004 -7.134 -1.606
158 HE1 PHE 1 HE1 PHE 1 2.761 -3.092 -3.377
159 HE2 PHE 1 HE2 PHE 1 4.293 -7.055 -3.964
160 HZ PHE 1 HZ PHE 1 3.171 -5.037 -4.852
161 H VAL 2 HN VAL 2 6.469 -6.616 -0.513
162 HA VAL 2 HA VAL 2 9.145 -7.059 0.071
163 HB VAL 2 HB VAL 2 9.188 -8.468 -1.980
164 1HG1 VAL 2 HG12 VAL 2 7.841 -8.916 0.283
165 2HG1 VAL 2 HG11 VAL 2 6.465 -8.877 -0.820
166 3HG1 VAL 2 HG13 VAL 2 7.765 -10.042 -1.072
167 1HG2 VAL 2 HG21 VAL 2 6.885 -6.714 -2.627
168 2HG2 VAL 2 HG23 VAL 2 7.994 -7.556 -3.707
169 3HG2 VAL 2 HG22 VAL 2 6.640 -8.424 -2.984
170 H ASN 3 HN ASN 3 7.813 -4.823 -2.265
171 HA ASN 3 HA ASN 3 10.338 -3.474 -2.591
172 1HB ASN 3 HB2 ASN 3 9.608 -5.581 -4.533
173 2HB ASN 3 HB1 ASN 3 10.050 -4.038 -5.263
174 1HD2 ASN 3 HD22 ASN 3 13.031 -6.345 -4.211
175 2HD2 ASN 3 HD21 ASN 3 11.489 -6.839 -4.721
176 H GLN 4 HN GLN 4 7.703 -2.727 -1.875
177 HA GLN 4 HA GLN 4 7.098 -0.829 -4.091
178 1HB GLN 4 HB2 GLN 4 5.501 -2.923 -3.785
179 2HB GLN 4 HB1 GLN 4 4.845 -1.954 -2.465
180 1HG GLN 4 HG2 GLN 4 3.546 -1.325 -4.343
181 2HG GLN 4 HG1 GLN 4 4.732 -0.030 -4.186
182 1HE2 GLN 4 HE22 GLN 4 4.819 -0.951 -7.756
183 2HE2 GLN 4 HE21 GLN 4 3.756 -0.169 -6.688
184 H HIS 5 HN HIS 5 7.655 1.096 -3.160
185 HA HIS 5 HA HIS 5 7.585 1.635 -0.348
186 1HB HIS 5 HB2 HIS 5 7.685 3.452 -2.766
187 2HB HIS 5 HB1 HIS 5 7.752 4.063 -1.112
188 HD1 HIS 5 HD1 HIS 5 10.142 4.556 -0.589
189 HD2 HIS 5 HD2 HIS 5 9.752 1.008 -2.722
190 HE1 HIS 5 HE1 HIS 5 12.459 3.549 -0.751
191 H LEU 6 HN LEU 6 6.161 3.309 0.685
192 HA LEU 6 HA LEU 6 3.371 3.080 -0.372
193 1HB LEU 6 HB2 LEU 6 4.320 3.394 2.497
194 2HB LEU 6 HB1 LEU 6 2.638 3.329 1.991
195 HG LEU 6 HG LEU 6 3.166 1.128 2.736
196 1HD1 LEU 6 HD13 LEU 6 2.117 1.410 0.357
197 2HD1 LEU 6 HD12 LEU 6 3.666 0.790 -0.211
198 3HD1 LEU 6 HD11 LEU 6 2.667 -0.186 0.866
199 1HD2 LEU 6 HD21 LEU 6 5.726 1.696 2.430
200 2HD2 LEU 6 HD23 LEU 6 5.176 0.021 2.409
201 3HD2 LEU 6 HD22 LEU 6 5.512 0.854 0.894
202 H CYS 7 HN CYS 7 4.666 5.099 -1.519
203 HA CYS 7 HA CYS 7 3.624 7.501 -0.094
204 1HB CYS 7 HB2 CYS 7 6.359 6.902 -0.479
205 2HB CYS 7 HB1 CYS 7 5.981 8.134 -1.679
206 H GLY 8 HN GLY 8 2.335 8.703 -1.383
207 1HA GLY 8 HA2 GLY 8 1.433 9.651 -3.344
208 2HA GLY 8 HA1 GLY 8 2.796 8.981 -4.242
209 H SER 9 HN SER 9 1.512 8.128 -5.924
210 HA SER 9 HA SER 9 -0.814 6.486 -5.487
211 1HB SER 9 HB2 SER 9 -0.378 5.777 -7.886
212 2HB SER 9 HB1 SER 9 -0.551 7.511 -7.631
213 HG SER 9 HG SER 9 1.282 6.953 -8.923
214 H HIS 10 HN HIS 10 2.523 5.815 -5.028
215 HA HIS 10 HA HIS 10 2.662 3.076 -5.797
216 1HB HIS 10 HB2 HIS 10 4.107 4.757 -3.772
217 2HB HIS 10 HB1 HIS 10 4.378 3.015 -3.826
218 HD1 HIS 10 HD1 HIS 10 5.900 2.144 -5.637
219 HD2 HIS 10 HD2 HIS 10 4.737 6.087 -6.329
220 HE1 HIS 10 HE1 HIS 10 7.237 2.946 -7.634
221 H LEU 11 HN LEU 11 1.356 4.640 -2.920
222 HA LEU 11 HA LEU 11 1.052 2.273 -1.328
223 1HB LEU 11 HB2 LEU 11 0.880 4.528 -0.356
224 2HB LEU 11 HB1 LEU 11 -0.557 4.850 -1.323
225 HG LEU 11 HG LEU 11 -1.749 3.015 -0.176
226 1HD1 LEU 11 HD13 LEU 11 0.903 2.726 1.244
227 2HD1 LEU 11 HD12 LEU 11 -0.599 2.112 1.936
228 3HD1 LEU 11 HD11 LEU 11 -0.017 1.486 0.391
229 1HD2 LEU 11 HD21 LEU 11 -0.423 5.020 1.674
230 2HD2 LEU 11 HD23 LEU 11 -1.919 5.257 0.772
231 3HD2 LEU 11 HD22 LEU 11 -1.858 4.076 2.081
232 H VAL 12 HN VAL 12 -1.362 4.047 -3.294
233 HA VAL 12 HA VAL 12 -3.515 2.270 -3.038
234 HB VAL 12 HB VAL 12 -2.748 3.766 -5.562
235 1HG1 VAL 12 HG13 VAL 12 -5.256 2.489 -4.505
236 2HG1 VAL 12 HG12 VAL 12 -5.378 3.907 -5.547
237 3HG1 VAL 12 HG11 VAL 12 -4.587 2.446 -6.138
238 1HG2 VAL 12 HG23 VAL 12 -3.764 4.647 -2.903
239 2HG2 VAL 12 HG22 VAL 12 -2.791 5.524 -4.087
240 3HG2 VAL 12 HG21 VAL 12 -4.531 5.367 -4.321
241 H GLU 13 HN GLU 13 -0.936 2.161 -5.513
242 HA GLU 13 HA GLU 13 -1.900 -0.145 -6.882
243 1HB GLU 13 HB2 GLU 13 -0.032 1.511 -7.573
244 2HB GLU 13 HB1 GLU 13 1.031 0.506 -6.587
245 1HG GLU 13 HG2 GLU 13 1.206 -0.417 -8.762
246 2HG GLU 13 HG1 GLU 13 0.081 -1.487 -7.924
247 H ALA 14 HN ALA 14 0.058 0.222 -3.981
248 HA ALA 14 HA ALA 14 0.927 -2.516 -3.814
249 1HB ALA 14 HB3 ALA 14 1.633 -0.290 -2.486
250 2HB ALA 14 HB2 ALA 14 0.484 -0.945 -1.318
251 3HB ALA 14 HB1 ALA 14 1.883 -1.901 -1.811
252 H LEU 15 HN LEU 15 -1.970 -0.798 -2.809
253 HA LEU 15 HA LEU 15 -3.013 -2.990 -1.200
254 1HB LEU 15 HB2 LEU 15 -4.618 -0.756 -2.473
255 2HB LEU 15 HB1 LEU 15 -5.034 -1.699 -1.043
256 HG LEU 15 HG LEU 15 -2.704 0.225 -1.278
257 1HD1 LEU 15 HD12 LEU 15 -5.411 0.384 0.023
258 2HD1 LEU 15 HD11 LEU 15 -4.059 1.366 0.587
259 3HD1 LEU 15 HD13 LEU 15 -4.646 1.540 -1.067
260 1HD2 LEU 15 HD22 LEU 15 -3.666 -1.543 0.980
261 2HD2 LEU 15 HD21 LEU 15 -2.075 -1.539 0.219
262 3HD2 LEU 15 HD23 LEU 15 -2.575 -0.177 1.223
263 H GLU 16 HN GLU 16 -3.116 -2.057 -4.581
264 HA GLU 16 HA GLU 16 -5.313 -3.779 -5.341
265 1HB GLU 16 HB2 GLU 16 -4.033 -1.812 -6.635
266 2HB GLU 16 HB1 GLU 16 -3.108 -3.177 -7.268
267 1HG GLU 16 HG2 GLU 16 -5.407 -4.264 -7.738
268 2HG GLU 16 HG1 GLU 16 -6.067 -2.643 -7.516
269 H LEU 17 HN LEU 17 -1.822 -4.181 -5.021
270 HA LEU 17 HA LEU 17 -1.736 -6.797 -6.272
271 1HB LEU 17 HB2 LEU 17 0.161 -4.952 -5.553
272 2HB LEU 17 HB1 LEU 17 0.350 -6.152 -4.277
273 HG LEU 17 HG LEU 17 0.204 -7.825 -6.339
274 1HD1 LEU 17 HD13 LEU 17 -0.060 -5.637 -7.788
275 2HD1 LEU 17 HD12 LEU 17 1.697 -5.564 -7.630
276 3HD1 LEU 17 HD11 LEU 17 0.938 -6.967 -8.379
277 1HD2 LEU 17 HD23 LEU 17 2.161 -7.022 -4.630
278 2HD2 LEU 17 HD22 LEU 17 2.429 -8.189 -5.926
279 3HD2 LEU 17 HD21 LEU 17 2.852 -6.493 -6.166
280 H VAL 18 HN VAL 18 -1.878 -5.632 -2.919
281 HA VAL 18 HA VAL 18 -1.780 -8.268 -1.742
282 HB VAL 18 HB VAL 18 -2.859 -5.679 -0.579
283 1HG1 VAL 18 HG12 VAL 18 -3.500 -7.790 0.617
284 2HG1 VAL 18 HG11 VAL 18 -1.785 -8.160 0.797
285 3HG1 VAL 18 HG13 VAL 18 -2.467 -6.732 1.577
286 1HG2 VAL 18 HG23 VAL 18 -0.357 -5.966 -1.496
287 2HG2 VAL 18 HG22 VAL 18 -0.697 -5.102 0.003
288 3HG2 VAL 18 HG21 VAL 18 -0.153 -6.778 0.058
289 H CYS 19 HN CYS 19 -4.529 -5.978 -1.586
290 HA CYS 19 HA CYS 19 -6.447 -8.097 -1.221
291 1HB CYS 19 HB2 CYS 19 -6.437 -5.225 -1.187
292 2HB CYS 19 HB1 CYS 19 -7.733 -5.748 -2.255
293 H GLY 20 HN GLY 20 -6.601 -5.743 -3.903
294 1HA GLY 20 HA2 GLY 20 -6.286 -6.490 -6.253
295 2HA GLY 20 HA1 GLY 20 -6.938 -8.055 -5.773
296 H GLU 21 HN GLU 21 -9.040 -6.725 -4.099
297 HA GLU 21 HA GLU 21 -11.144 -6.667 -6.014
298 1HB GLU 21 HB2 GLU 21 -10.977 -5.525 -3.213
299 2HB GLU 21 HB1 GLU 21 -12.468 -5.592 -4.151
300 1HG GLU 21 HG2 GLU 21 -10.876 -8.106 -3.904
301 2HG GLU 21 HG1 GLU 21 -11.782 -7.567 -2.489
302 H ARG 22 HN ARG 22 -12.647 -4.594 -6.108
303 HA ARG 22 HA ARG 22 -11.086 -2.522 -7.431
304 1HB ARG 22 HB2 ARG 22 -13.374 -3.249 -8.175
305 2HB ARG 22 HB1 ARG 22 -14.034 -2.502 -6.719
306 1HG ARG 22 HG2 ARG 22 -14.239 -0.713 -8.154
307 2HG ARG 22 HG1 ARG 22 -12.592 -0.425 -7.596
308 1HD ARG 22 HD2 ARG 22 -12.333 -2.249 -9.724
309 2HD ARG 22 HD1 ARG 22 -13.528 -1.070 -10.266
310 HE ARG 22 HE ARG 22 -11.502 0.481 -9.181
311 1HH1 ARG 22 HH21 ARG 22 -11.668 -2.011 -11.630
312 2HH1 ARG 22 HH22 ARG 22 -10.335 -1.365 -12.519
313 1HH2 ARG 22 HH11 ARG 22 -9.779 1.281 -10.364
314 2HH2 ARG 22 HH12 ARG 22 -9.277 0.478 -11.813
315 H GLY 23 HN GLY 23 -13.456 -2.318 -4.751
316 1HA GLY 23 HA2 GLY 23 -11.778 -0.120 -3.601
317 2HA GLY 23 HA1 GLY 23 -13.541 -0.125 -3.517
318 H GLY 24 HN GLY 24 -11.150 -2.712 -2.913
319 1HA GLY 24 HA2 GLY 24 -12.510 -3.217 -0.312
320 2HA GLY 24 HA1 GLY 24 -11.500 -4.378 -1.172
321 H PHE 25 HN PHE 25 -10.461 -1.052 -0.851
322 HA PHE 25 HA PHE 25 -8.885 -1.509 1.554
323 1HB PHE 25 HB2 PHE 25 -6.672 -1.137 0.331
324 2HB PHE 25 HB1 PHE 25 -7.402 -2.728 0.143
325 HD1 PHE 25 HD2 PHE 25 -6.946 0.577 -1.505
326 HD2 PHE 25 HD1 PHE 25 -8.098 -3.528 -1.988
327 HE1 PHE 25 HE2 PHE 25 -6.954 0.873 -3.967
328 HE2 PHE 25 HE1 PHE 25 -8.105 -3.236 -4.452
329 HZ PHE 25 HZ PHE 25 -7.535 -1.035 -5.440
330 H TYR 26 HN TYR 26 -7.090 0.425 1.538
331 HA TYR 26 HA TYR 26 -8.540 2.835 1.777
332 1HB TYR 26 HB2 TYR 26 -6.475 2.630 2.954
333 2HB TYR 26 HB1 TYR 26 -5.585 2.252 1.486
334 HD1 TYR 26 HD2 TYR 26 -7.994 4.988 2.414
335 HD2 TYR 26 HD1 TYR 26 -4.083 3.952 0.970
336 HE1 TYR 26 HE2 TYR 26 -7.472 7.393 2.107
337 HE2 TYR 26 HE1 TYR 26 -3.561 6.359 0.669
338 HH TYR 26 HH TYR 26 -4.271 8.506 1.446
339 H THR 27 HN THR 27 -9.330 4.184 0.272
340 HA THR 27 HA THR 27 -8.030 4.255 -2.419
341 HB THR 27 HB THR 27 -10.499 5.012 -3.066
342 HG1 THR 27 HG1 THR 27 -11.910 4.565 -1.599
343 1HG2 THR 27 HG23 THR 27 -9.216 3.038 -3.922
344 2HG2 THR 27 HG22 THR 27 -9.810 2.110 -2.546
345 3HG2 THR 27 HG21 THR 27 -10.944 2.728 -3.747
346 HA PRO 28 HA PRO 28 -7.546 8.448 -0.609
347 1HB PRO 28 HB2 PRO 28 -5.890 9.085 -2.890
348 2HB PRO 28 HB1 PRO 28 -5.406 8.900 -1.199
349 1HG PRO 28 HG2 PRO 28 -4.903 7.093 -3.372
350 2HG PRO 28 HG1 PRO 28 -4.444 6.903 -1.675
351 1HD PRO 28 HD2 PRO 28 -6.470 5.468 -3.115
352 2HD PRO 28 HD1 PRO 28 -6.034 5.307 -1.405
353 H LYS 29 HN LYS 29 -8.014 10.626 -1.579
354 HA LYS 29 HA LYS 29 -10.419 10.623 -3.101
355 1HB LYS 29 HB2 LYS 29 -10.005 13.081 -3.330
356 2HB LYS 29 HB1 LYS 29 -9.847 12.507 -1.671
357 1HG LYS 29 HG2 LYS 29 -7.636 13.006 -1.584
358 2HG LYS 29 HG1 LYS 29 -7.335 12.363 -3.198
359 1HD LYS 29 HD2 LYS 29 -8.603 14.501 -4.011
360 2HD LYS 29 HD1 LYS 29 -8.228 15.123 -2.404
361 1HE LYS 29 HE2 LYS 29 -5.891 14.957 -2.760
362 2HE LYS 29 HE1 LYS 29 -6.099 13.897 -4.156
363 1HZ LYS 29 HZ1 LYS 29 -7.245 16.606 -4.192
364 2HZ LYS 29 HZ3 LYS 29 -5.594 16.390 -4.515
365 3HZ LYS 29 HZ2 LYS 29 -6.757 15.628 -5.492
No H/Q in entry = 365
Start of MODEL 17
1 1H GLY 1 HT3 GLY 1 -0.343 5.346 11.085
2 2H GLY 1 HT2 GLY 1 -0.024 4.558 12.557
3 3H GLY 1 HT1 GLY 1 0.514 6.150 12.308
4 1HA GLY 1 HA2 GLY 1 2.201 5.529 10.884
5 2HA GLY 1 HA1 GLY 1 2.198 4.238 12.087
6 H ILE 2 HN ILE 2 2.074 4.874 8.792
7 HA ILE 2 HA ILE 2 1.853 2.099 8.101
8 HB ILE 2 HB ILE 2 -0.580 3.065 8.657
9 1HG1 ILE 2 HG12 ILE 2 0.043 0.746 8.114
10 2HG1 ILE 2 HG11 ILE 2 -1.459 1.210 7.323
11 1HG2 ILE 2 HG23 ILE 2 -0.224 3.654 5.708
12 2HG2 ILE 2 HG22 ILE 2 -1.777 3.505 6.516
13 3HG2 ILE 2 HG21 ILE 2 -0.677 4.796 6.973
14 1HD1 ILE 2 HD12 ILE 2 -0.067 1.791 5.276
15 2HD1 ILE 2 HD11 ILE 2 1.296 1.017 6.086
16 3HD1 ILE 2 HD13 ILE 2 -0.135 0.072 5.672
17 H VAL 3 HN VAL 3 1.205 5.353 6.726
18 HA VAL 3 HA VAL 3 2.708 4.591 4.288
19 HB VAL 3 HB VAL 3 1.345 7.218 4.954
20 1HG1 VAL 3 HG12 VAL 3 2.775 6.087 2.595
21 2HG1 VAL 3 HG11 VAL 3 1.314 7.022 2.268
22 3HG1 VAL 3 HG13 VAL 3 2.656 7.759 3.143
23 1HG2 VAL 3 HG23 VAL 3 0.342 4.621 3.855
24 2HG2 VAL 3 HG22 VAL 3 -0.474 5.785 4.900
25 3HG2 VAL 3 HG21 VAL 3 -0.303 6.115 3.174
26 H GLU 4 HN GLU 4 2.764 7.218 6.713
27 HA GLU 4 HA GLU 4 5.214 8.392 5.906
28 1HB GLU 4 HB2 GLU 4 3.366 9.000 7.786
29 2HB GLU 4 HB1 GLU 4 4.630 8.338 8.820
30 1HG GLU 4 HG2 GLU 4 5.494 10.443 8.718
31 2HG GLU 4 HG1 GLU 4 6.109 9.919 7.151
32 H GLN 5 HN GLN 5 4.588 5.563 7.907
33 HA GLN 5 HA GLN 5 7.318 5.366 8.893
34 1HB GLN 5 HB2 GLN 5 4.936 4.238 9.647
35 2HB GLN 5 HB1 GLN 5 5.701 2.893 8.806
36 1HG GLN 5 HG2 GLN 5 7.814 3.587 10.214
37 2HG GLN 5 HG1 GLN 5 6.620 4.356 11.261
38 1HE2 GLN 5 HE22 GLN 5 5.969 1.280 12.828
39 2HE2 GLN 5 HE21 GLN 5 6.212 2.952 12.977
40 H CYS 6 HN CYS 6 5.576 4.204 6.072
41 HA CYS 6 HA CYS 6 8.032 2.712 5.238
42 1HB CYS 6 HB2 CYS 6 5.200 2.376 4.204
43 2HB CYS 6 HB1 CYS 6 6.594 1.378 3.793
44 H CYS 7 HN CYS 7 7.413 5.659 4.937
45 HA CYS 7 HA CYS 7 7.251 5.854 1.968
46 1HB CYS 7 HB2 CYS 7 6.453 7.579 4.197
47 2HB CYS 7 HB1 CYS 7 7.399 8.450 2.994
48 H THR 8 HN THR 8 9.359 6.453 4.720
49 HA THR 8 HA THR 8 11.415 7.737 3.050
50 HB THR 8 HB THR 8 11.931 6.742 5.833
51 HG1 THR 8 HG1 THR 8 10.407 9.032 5.145
52 1HG2 THR 8 HG22 THR 8 12.898 8.862 3.987
53 2HG2 THR 8 HG21 THR 8 12.860 9.268 5.703
54 3HG2 THR 8 HG23 THR 8 13.796 7.881 5.145
55 H SER 9 HN SER 9 11.294 4.792 5.086
56 HA SER 9 HA SER 9 13.521 3.659 3.475
57 1HB SER 9 HB2 SER 9 12.840 3.561 6.223
58 2HB SER 9 HB1 SER 9 12.611 1.928 5.606
59 HG SER 9 HG SER 9 14.806 2.588 6.327
60 H ILE 10 HN ILE 10 12.887 0.914 3.905
61 HA ILE 10 HA ILE 10 10.701 0.617 1.920
62 HB ILE 10 HB ILE 10 12.137 -1.804 2.890
63 1HG1 ILE 10 HG12 ILE 10 14.035 -0.241 2.795
64 2HG1 ILE 10 HG11 ILE 10 14.111 -1.361 1.439
65 1HG2 ILE 10 HG21 ILE 10 10.445 -1.243 0.838
66 2HG2 ILE 10 HG23 ILE 10 11.998 -1.089 0.020
67 3HG2 ILE 10 HG22 ILE 10 11.574 -2.595 0.833
68 1HD1 ILE 10 HD13 ILE 10 12.842 0.432 0.106
69 2HD1 ILE 10 HD12 ILE 10 13.259 1.528 1.422
70 3HD1 ILE 10 HD11 ILE 10 14.535 0.761 0.479
71 H CYS 11 HN CYS 11 9.726 -1.908 2.549
72 HA CYS 11 HA CYS 11 9.055 -2.219 5.332
73 1HB CYS 11 HB2 CYS 11 7.394 -0.439 3.693
74 2HB CYS 11 HB1 CYS 11 6.467 -1.746 4.426
75 H SER 12 HN SER 12 7.263 -3.921 5.550
76 HA SER 12 HA SER 12 7.559 -5.854 3.307
77 1HB SER 12 HB2 SER 12 6.255 -7.090 5.510
78 2HB SER 12 HB1 SER 12 7.898 -7.355 4.946
79 HG SER 12 HG SER 12 8.292 -6.590 6.892
80 H LEU 13 HN LEU 13 5.611 -7.152 2.762
81 HA LEU 13 HA LEU 13 3.378 -5.458 2.157
82 1HB LEU 13 HB2 LEU 13 4.153 -7.458 0.833
83 2HB LEU 13 HB1 LEU 13 3.503 -8.491 2.097
84 HG LEU 13 HG LEU 13 2.027 -8.139 0.047
85 1HD1 LEU 13 HD13 LEU 13 1.387 -8.469 2.728
86 2HD1 LEU 13 HD12 LEU 13 0.305 -7.180 2.200
87 3HD1 LEU 13 HD11 LEU 13 0.307 -8.730 1.360
88 1HD2 LEU 13 HD21 LEU 13 2.566 -5.475 0.404
89 2HD2 LEU 13 HD23 LEU 13 1.208 -6.101 -0.523
90 3HD2 LEU 13 HD22 LEU 13 0.979 -5.613 1.154
91 H TYR 14 HN TYR 14 4.092 -7.500 4.897
92 HA TYR 14 HA TYR 14 1.477 -8.047 5.817
93 1HB TYR 14 HB2 TYR 14 2.446 -8.608 7.886
94 2HB TYR 14 HB1 TYR 14 3.748 -8.876 6.737
95 HD1 TYR 14 HD2 TYR 14 4.709 -6.101 6.243
96 HD2 TYR 14 HD1 TYR 14 3.478 -8.020 9.880
97 HE1 TYR 14 HE2 TYR 14 6.132 -4.544 7.545
98 HE2 TYR 14 HE1 TYR 14 4.901 -6.461 11.184
99 HH TYR 14 HH TYR 14 5.821 -3.981 10.705
100 H GLN 15 HN GLN 15 3.135 -5.005 5.685
101 HA GLN 15 HA GLN 15 1.610 -3.695 7.781
102 1HB GLN 15 HB2 GLN 15 3.469 -2.825 5.604
103 2HB GLN 15 HB1 GLN 15 2.422 -1.612 6.342
104 1HG GLN 15 HG2 GLN 15 3.867 -3.466 8.177
105 2HG GLN 15 HG1 GLN 15 4.820 -2.220 7.373
106 1HE2 GLN 15 HE22 GLN 15 3.665 0.304 9.526
107 2HE2 GLN 15 HE21 GLN 15 4.842 -0.228 8.425
108 H LEU 16 HN LEU 16 1.379 -3.768 4.219
109 HA LEU 16 HA LEU 16 -0.954 -2.082 4.085
110 1HB LEU 16 HB2 LEU 16 0.249 -4.065 2.148
111 2HB LEU 16 HB1 LEU 16 -1.151 -3.065 1.758
112 HG LEU 16 HG LEU 16 1.436 -1.896 2.791
113 1HD1 LEU 16 HD11 LEU 16 0.676 -2.810 0.063
114 2HD1 LEU 16 HD13 LEU 16 1.483 -1.246 0.183
115 3HD1 LEU 16 HD12 LEU 16 2.270 -2.695 0.808
116 1HD2 LEU 16 HD21 LEU 16 -1.111 -0.822 2.459
117 2HD2 LEU 16 HD23 LEU 16 0.386 0.103 2.566
118 3HD2 LEU 16 HD22 LEU 16 -0.272 -0.329 0.988
119 H GLU 17 HN GLU 17 -0.618 -5.301 5.176
120 HA GLU 17 HA GLU 17 -3.050 -6.469 4.241
121 1HB GLU 17 HB2 GLU 17 -1.071 -6.994 6.356
122 2HB GLU 17 HB1 GLU 17 -2.700 -7.521 6.776
123 1HG GLU 17 HG2 GLU 17 -2.134 -8.242 4.033
124 2HG GLU 17 HG1 GLU 17 -0.841 -8.833 5.076
125 H ASN 18 HN ASN 18 -2.381 -4.079 6.707
126 HA ASN 18 HA ASN 18 -4.776 -4.285 8.237
127 1HB ASN 18 HB2 ASN 18 -2.614 -2.858 8.625
128 2HB ASN 18 HB1 ASN 18 -3.453 -1.644 7.656
129 1HD2 ASN 18 HD22 ASN 18 -4.860 -0.588 10.741
130 2HD2 ASN 18 HD21 ASN 18 -3.765 -0.213 9.499
131 H TYR 19 HN TYR 19 -4.043 -2.741 5.216
132 HA TYR 19 HA TYR 19 -6.578 -1.315 5.037
133 1HB TYR 19 HB2 TYR 19 -4.193 -1.701 3.250
134 2HB TYR 19 HB1 TYR 19 -5.672 -0.992 2.604
135 HD1 TYR 19 HD1 TYR 19 -6.719 0.970 3.894
136 HD2 TYR 19 HD2 TYR 19 -2.685 -0.374 4.501
137 HE1 TYR 19 HE1 TYR 19 -6.161 3.135 4.957
138 HE2 TYR 19 HE2 TYR 19 -2.114 1.789 5.589
139 HH TYR 19 HH TYR 19 -4.143 3.790 6.832
140 H CYS 20 HN CYS 20 -5.523 -4.517 4.252
141 HA CYS 20 HA CYS 20 -7.837 -4.884 2.391
142 1HB CYS 20 HB2 CYS 20 -5.206 -6.250 2.771
143 2HB CYS 20 HB1 CYS 20 -6.566 -7.244 2.248
144 H ASN 21 HN ASN 21 -8.018 -4.684 5.382
145 HA ASN 21 HA ASN 21 -8.414 -7.294 6.500
146 1HB ASN 21 HB2 ASN 21 -9.693 -6.117 8.265
147 2HB ASN 21 HB1 ASN 21 -8.173 -5.297 7.913
148 1HD2 ASN 21 HD22 ASN 21 -10.982 -2.777 7.958
149 2HD2 ASN 21 HD21 ASN 21 -10.424 -3.922 9.081
150 1H PHE 1 HT1 PHE 1 7.096 -3.679 -3.852
151 2H PHE 1 HT3 PHE 1 5.729 -4.614 -3.496
152 3H PHE 1 HT2 PHE 1 5.554 -2.971 -3.867
153 HA PHE 1 HA PHE 1 6.717 -2.319 -1.889
154 1HB PHE 1 HB2 PHE 1 5.115 -3.468 -0.167
155 2HB PHE 1 HB1 PHE 1 4.448 -2.395 -1.391
156 HD1 PHE 1 HD2 PHE 1 5.133 -6.002 -0.661
157 HD2 PHE 1 HD1 PHE 1 2.821 -3.165 -2.896
158 HE1 PHE 1 HE2 PHE 1 3.679 -7.833 -1.488
159 HE2 PHE 1 HE1 PHE 1 1.368 -4.987 -3.721
160 HZ PHE 1 HZ PHE 1 1.795 -7.317 -3.015
161 H VAL 2 HN VAL 2 6.897 -5.773 -2.516
162 HA VAL 2 HA VAL 2 8.042 -6.620 -0.054
163 HB VAL 2 HB VAL 2 9.046 -8.466 -1.402
164 1HG1 VAL 2 HG11 VAL 2 6.176 -7.640 -1.834
165 2HG1 VAL 2 HG13 VAL 2 6.793 -9.166 -2.469
166 3HG1 VAL 2 HG12 VAL 2 6.813 -8.861 -0.732
167 1HG2 VAL 2 HG23 VAL 2 9.545 -6.977 -3.393
168 2HG2 VAL 2 HG22 VAL 2 8.774 -8.508 -3.804
169 3HG2 VAL 2 HG21 VAL 2 7.824 -7.024 -3.774
170 H ASN 3 HN ASN 3 9.366 -4.787 -2.709
171 HA ASN 3 HA ASN 3 11.803 -4.262 -1.142
172 1HB ASN 3 HB2 ASN 3 13.270 -4.790 -3.119
173 2HB ASN 3 HB1 ASN 3 12.519 -6.214 -2.399
174 1HD2 ASN 3 HD22 ASN 3 11.616 -6.972 -5.768
175 2HD2 ASN 3 HD21 ASN 3 12.693 -7.342 -4.508
176 H GLN 4 HN GLN 4 9.421 -2.795 -2.151
177 HA GLN 4 HA GLN 4 10.829 -0.792 -3.870
178 1HB GLN 4 HB2 GLN 4 8.506 -2.164 -4.482
179 2HB GLN 4 HB1 GLN 4 7.882 -0.661 -3.805
180 1HG GLN 4 HG2 GLN 4 8.167 -0.001 -6.004
181 2HG GLN 4 HG1 GLN 4 9.761 0.405 -5.369
182 1HE2 GLN 4 HE22 GLN 4 9.500 -2.302 -8.301
183 2HE2 GLN 4 HE21 GLN 4 8.228 -1.268 -7.864
184 H HIS 5 HN HIS 5 9.459 1.442 -3.543
185 HA HIS 5 HA HIS 5 9.517 1.889 -0.596
186 1HB HIS 5 HB2 HIS 5 10.159 3.563 -2.976
187 2HB HIS 5 HB1 HIS 5 9.452 4.391 -1.586
188 HD1 HIS 5 HD1 HIS 5 12.587 2.867 -2.797
189 HD2 HIS 5 HD2 HIS 5 11.001 4.016 0.881
190 HE1 HIS 5 HE1 HIS 5 14.520 2.899 -1.160
191 H LEU 6 HN LEU 6 7.645 2.217 0.439
192 HA LEU 6 HA LEU 6 5.139 2.426 -1.071
193 1HB LEU 6 HB2 LEU 6 5.656 1.110 1.152
194 2HB LEU 6 HB1 LEU 6 5.314 2.663 1.913
195 HG LEU 6 HG LEU 6 3.177 2.662 0.446
196 1HD1 LEU 6 HD12 LEU 6 4.154 0.550 -0.780
197 2HD1 LEU 6 HD11 LEU 6 3.497 -0.326 0.603
198 3HD1 LEU 6 HD13 LEU 6 2.426 0.621 -0.430
199 1HD2 LEU 6 HD22 LEU 6 3.763 1.040 2.900
200 2HD2 LEU 6 HD21 LEU 6 2.790 2.501 2.734
201 3HD2 LEU 6 HD23 LEU 6 2.153 0.951 2.184
202 H CYS 7 HN CYS 7 5.134 4.531 -1.982
203 HA CYS 7 HA CYS 7 4.256 6.653 -0.214
204 1HB CYS 7 HB2 CYS 7 6.979 6.468 -0.328
205 2HB CYS 7 HB1 CYS 7 6.670 7.550 -1.684
206 H GLY 8 HN GLY 8 2.970 8.029 -1.388
207 1HA GLY 8 HA2 GLY 8 2.199 9.234 -3.294
208 2HA GLY 8 HA1 GLY 8 3.438 8.436 -4.266
209 H SER 9 HN SER 9 2.034 7.718 -5.912
210 HA SER 9 HA SER 9 -0.440 6.316 -5.360
211 1HB SER 9 HB2 SER 9 -0.551 5.920 -7.705
212 2HB SER 9 HB1 SER 9 0.189 7.509 -7.525
213 HG SER 9 HG SER 9 1.162 5.430 -8.789
214 H HIS 10 HN HIS 10 2.811 5.333 -5.031
215 HA HIS 10 HA HIS 10 2.609 2.605 -5.893
216 1HB HIS 10 HB2 HIS 10 4.719 3.965 -5.238
217 2HB HIS 10 HB1 HIS 10 4.323 3.494 -3.583
218 HD1 HIS 10 HD1 HIS 10 5.073 1.931 -6.966
219 HD2 HIS 10 HD2 HIS 10 5.013 0.869 -2.936
220 HE1 HIS 10 HE1 HIS 10 6.041 -0.405 -6.826
221 H LEU 11 HN LEU 11 1.663 4.293 -2.961
222 HA LEU 11 HA LEU 11 1.256 1.994 -1.300
223 1HB LEU 11 HB2 LEU 11 1.287 4.221 -0.313
224 2HB LEU 11 HB1 LEU 11 -0.082 4.723 -1.300
225 HG LEU 11 HG LEU 11 -1.509 3.038 -0.161
226 1HD1 LEU 11 HD13 LEU 11 0.367 1.473 0.399
227 2HD1 LEU 11 HD12 LEU 11 0.892 2.613 1.638
228 3HD1 LEU 11 HD11 LEU 11 -0.679 1.824 1.774
229 1HD2 LEU 11 HD22 LEU 11 -0.041 5.123 1.442
230 2HD2 LEU 11 HD21 LEU 11 -1.697 5.154 0.840
231 3HD2 LEU 11 HD23 LEU 11 -1.274 4.122 2.207
232 H VAL 12 HN VAL 12 -1.124 3.918 -3.168
233 HA VAL 12 HA VAL 12 -3.366 2.263 -2.812
234 HB VAL 12 HB VAL 12 -2.644 3.771 -5.342
235 1HG1 VAL 12 HG12 VAL 12 -5.219 2.724 -4.145
236 2HG1 VAL 12 HG11 VAL 12 -5.216 4.049 -5.313
237 3HG1 VAL 12 HG13 VAL 12 -4.581 2.468 -5.771
238 1HG2 VAL 12 HG23 VAL 12 -3.449 4.655 -2.621
239 2HG2 VAL 12 HG22 VAL 12 -2.530 5.512 -3.860
240 3HG2 VAL 12 HG21 VAL 12 -4.289 5.430 -3.965
241 H GLU 13 HN GLU 13 -1.031 2.112 -5.526
242 HA GLU 13 HA GLU 13 -2.165 -0.086 -6.880
243 1HB GLU 13 HB2 GLU 13 0.388 1.333 -6.888
244 2HB GLU 13 HB1 GLU 13 0.599 -0.384 -7.218
245 1HG GLU 13 HG2 GLU 13 -1.373 -0.097 -8.878
246 2HG GLU 13 HG1 GLU 13 -1.048 1.631 -8.742
247 H ALA 14 HN ALA 14 -0.192 -0.013 -3.980
248 HA ALA 14 HA ALA 14 0.392 -2.866 -4.016
249 1HB ALA 14 HB3 ALA 14 1.786 -1.149 -2.801
250 2HB ALA 14 HB2 ALA 14 0.463 -0.979 -1.645
251 3HB ALA 14 HB1 ALA 14 1.301 -2.526 -1.806
252 H LEU 15 HN LEU 15 -2.077 -0.774 -2.611
253 HA LEU 15 HA LEU 15 -3.299 -2.736 -0.914
254 1HB LEU 15 HB2 LEU 15 -4.719 -0.453 -2.319
255 2HB LEU 15 HB1 LEU 15 -5.202 -1.264 -0.838
256 HG LEU 15 HG LEU 15 -2.709 0.402 -1.177
257 1HD1 LEU 15 HD11 LEU 15 -5.410 0.919 0.037
258 2HD1 LEU 15 HD13 LEU 15 -3.983 1.798 0.587
259 3HD1 LEU 15 HD12 LEU 15 -4.500 1.922 -1.095
260 1HD2 LEU 15 HD23 LEU 15 -3.751 -1.359 0.993
261 2HD2 LEU 15 HD22 LEU 15 -2.085 -1.044 0.509
262 3HD2 LEU 15 HD21 LEU 15 -2.967 0.151 1.466
263 H GLU 16 HN GLU 16 -3.472 -2.075 -4.353
264 HA GLU 16 HA GLU 16 -5.834 -3.750 -4.779
265 1HB GLU 16 HB2 GLU 16 -4.992 -1.763 -6.239
266 2HB GLU 16 HB1 GLU 16 -3.876 -2.946 -6.927
267 1HG GLU 16 HG2 GLU 16 -6.144 -4.384 -7.062
268 2HG GLU 16 HG1 GLU 16 -6.839 -2.768 -7.172
269 H LEU 17 HN LEU 17 -2.326 -4.074 -5.019
270 HA LEU 17 HA LEU 17 -2.288 -6.625 -6.328
271 1HB LEU 17 HB2 LEU 17 -0.385 -4.789 -5.487
272 2HB LEU 17 HB1 LEU 17 -0.096 -6.167 -4.426
273 HG LEU 17 HG LEU 17 -0.112 -7.635 -6.492
274 1HD1 LEU 17 HD13 LEU 17 -0.153 -4.896 -7.786
275 2HD1 LEU 17 HD12 LEU 17 0.394 -6.344 -8.631
276 3HD1 LEU 17 HD11 LEU 17 -1.270 -6.233 -8.057
277 1HD2 LEU 17 HD21 LEU 17 1.923 -5.551 -5.829
278 2HD2 LEU 17 HD23 LEU 17 2.057 -7.309 -5.768
279 3HD2 LEU 17 HD22 LEU 17 2.161 -6.469 -7.316
280 H VAL 18 HN VAL 18 -2.626 -5.671 -2.950
281 HA VAL 18 HA VAL 18 -2.342 -8.419 -1.969
282 HB VAL 18 HB VAL 18 -3.392 -5.969 -0.519
283 1HG1 VAL 18 HG11 VAL 18 -3.889 -8.177 0.518
284 2HG1 VAL 18 HG13 VAL 18 -2.164 -8.544 0.511
285 3HG1 VAL 18 HG12 VAL 18 -2.778 -7.214 1.493
286 1HG2 VAL 18 HG22 VAL 18 -0.658 -6.809 -1.303
287 2HG2 VAL 18 HG21 VAL 18 -1.262 -5.210 -0.867
288 3HG2 VAL 18 HG23 VAL 18 -0.840 -6.367 0.395
289 H CYS 19 HN CYS 19 -5.025 -6.047 -2.035
290 HA CYS 19 HA CYS 19 -7.032 -7.999 -1.347
291 1HB CYS 19 HB2 CYS 19 -7.054 -5.173 -2.357
292 2HB CYS 19 HB1 CYS 19 -8.546 -6.110 -2.423
293 H GLY 20 HN GLY 20 -7.144 -6.125 -4.379
294 1HA GLY 20 HA2 GLY 20 -6.657 -7.637 -6.463
295 2HA GLY 20 HA1 GLY 20 -7.935 -8.636 -5.773
296 H GLU 21 HN GLU 21 -9.896 -6.997 -5.038
297 HA GLU 21 HA GLU 21 -10.743 -5.770 -7.596
298 1HB GLU 21 HB2 GLU 21 -12.075 -6.888 -5.210
299 2HB GLU 21 HB1 GLU 21 -12.844 -5.437 -5.847
300 1HG GLU 21 HG2 GLU 21 -13.809 -7.399 -6.931
301 2HG GLU 21 HG1 GLU 21 -12.869 -6.489 -8.112
302 H ARG 22 HN ARG 22 -12.062 -3.647 -7.296
303 HA ARG 22 HA ARG 22 -10.285 -1.663 -6.127
304 1HB ARG 22 HB2 ARG 22 -13.099 -1.322 -7.215
305 2HB ARG 22 HB1 ARG 22 -11.925 -0.037 -6.941
306 1HG ARG 22 HG2 ARG 22 -11.224 -0.356 -9.065
307 2HG ARG 22 HG1 ARG 22 -10.547 -1.889 -8.527
308 1HD ARG 22 HD2 ARG 22 -12.183 -3.102 -9.525
309 2HD ARG 22 HD1 ARG 22 -13.452 -1.976 -9.057
310 HE ARG 22 HE ARG 22 -12.213 -2.149 -11.625
311 1HH1 ARG 22 HH21 ARG 22 -13.162 0.295 -9.323
312 2HH1 ARG 22 HH22 ARG 22 -13.079 1.567 -10.490
313 1HH2 ARG 22 HH11 ARG 22 -12.143 -0.485 -13.108
314 2HH2 ARG 22 HH12 ARG 22 -12.521 1.131 -12.614
315 H GLY 23 HN GLY 23 -13.585 -2.821 -5.407
316 1HA GLY 23 HA2 GLY 23 -13.730 -1.269 -2.928
317 2HA GLY 23 HA1 GLY 23 -14.922 -2.446 -3.488
318 H GLY 24 HN GLY 24 -12.019 -1.994 -1.623
319 1HA GLY 24 HA2 GLY 24 -12.453 -4.325 -0.027
320 2HA GLY 24 HA1 GLY 24 -11.213 -4.683 -1.232
321 H PHE 25 HN PHE 25 -10.095 -1.997 -1.307
322 HA PHE 25 HA PHE 25 -8.917 -1.870 1.437
323 1HB PHE 25 HB2 PHE 25 -6.771 -1.255 0.332
324 2HB PHE 25 HB1 PHE 25 -7.315 -2.879 -0.088
325 HD1 PHE 25 HD2 PHE 25 -6.984 0.605 -1.299
326 HD2 PHE 25 HD1 PHE 25 -8.044 -3.427 -2.325
327 HE1 PHE 25 HE2 PHE 25 -6.965 1.214 -3.701
328 HE2 PHE 25 HE1 PHE 25 -8.020 -2.818 -4.729
329 HZ PHE 25 HZ PHE 25 -7.483 -0.498 -5.416
330 H TYR 26 HN TYR 26 -7.433 0.304 1.364
331 HA TYR 26 HA TYR 26 -9.220 2.492 1.571
332 1HB TYR 26 HB2 TYR 26 -7.171 2.561 2.789
333 2HB TYR 26 HB1 TYR 26 -6.210 2.269 1.346
334 HD1 TYR 26 HD2 TYR 26 -8.988 4.711 1.993
335 HD2 TYR 26 HD1 TYR 26 -4.842 4.121 1.043
336 HE1 TYR 26 HE2 TYR 26 -8.717 7.157 1.675
337 HE2 TYR 26 HE1 TYR 26 -4.567 6.568 0.724
338 HH TYR 26 HH TYR 26 -5.848 8.525 0.288
339 H THR 27 HN THR 27 -10.339 3.317 -0.137
340 HA THR 27 HA THR 27 -8.836 3.826 -2.674
341 HB THR 27 HB THR 27 -11.275 3.708 -3.663
342 HG1 THR 27 HG1 THR 27 -12.582 2.316 -2.504
343 1HG2 THR 27 HG21 THR 27 -9.369 1.525 -2.947
344 2HG2 THR 27 HG23 THR 27 -10.934 1.065 -3.615
345 3HG2 THR 27 HG22 THR 27 -9.856 2.112 -4.537
346 HA PRO 28 HA PRO 28 -10.085 7.925 -0.977
347 1HB PRO 28 HB2 PRO 28 -8.171 9.152 -2.720
348 2HB PRO 28 HB1 PRO 28 -8.059 8.947 -0.968
349 1HG PRO 28 HG2 PRO 28 -6.596 7.539 -3.029
350 2HG PRO 28 HG1 PRO 28 -6.420 7.405 -1.274
351 1HD PRO 28 HD2 PRO 28 -7.591 5.496 -3.055
352 2HD PRO 28 HD1 PRO 28 -7.483 5.401 -1.290
353 H LYS 29 HN LYS 29 -11.756 9.035 -1.909
354 HA LYS 29 HA LYS 29 -12.043 8.890 -4.881
355 1HB LYS 29 HB2 LYS 29 -14.101 9.150 -2.674
356 2HB LYS 29 HB1 LYS 29 -14.484 9.376 -4.381
357 1HG LYS 29 HG2 LYS 29 -13.386 7.065 -4.740
358 2HG LYS 29 HG1 LYS 29 -13.538 6.872 -2.992
359 1HD LYS 29 HD2 LYS 29 -16.029 7.682 -3.480
360 2HD LYS 29 HD1 LYS 29 -15.676 7.015 -5.075
361 1HE LYS 29 HE2 LYS 29 -16.511 5.143 -3.953
362 2HE LYS 29 HE1 LYS 29 -14.773 4.960 -3.712
363 1HZ LYS 29 HZ3 LYS 29 -15.190 6.330 -1.600
364 2HZ LYS 29 HZ2 LYS 29 -16.819 5.896 -1.807
365 3HZ LYS 29 HZ1 LYS 29 -15.636 4.694 -1.599
No H/Q in entry = 365
Start of MODEL 18
1 1H GLY 1 HT1 GLY 1 -3.505 9.595 7.443
2 2H GLY 1 HT3 GLY 1 -4.036 9.749 9.047
3 3H GLY 1 HT2 GLY 1 -2.883 10.833 8.426
4 1HA GLY 1 HA2 GLY 1 -1.176 9.325 8.512
5 2HA GLY 1 HA1 GLY 1 -2.120 8.892 9.938
6 H ILE 2 HN ILE 2 -0.782 7.707 7.080
7 HA ILE 2 HA ILE 2 -1.704 5.032 7.559
8 HB ILE 2 HB ILE 2 -3.805 5.937 6.621
9 1HG1 ILE 2 HG12 ILE 2 -2.732 4.283 4.382
10 2HG1 ILE 2 HG11 ILE 2 -2.674 3.590 6.003
11 1HG2 ILE 2 HG23 ILE 2 -2.541 7.676 5.201
12 2HG2 ILE 2 HG22 ILE 2 -2.327 6.380 4.027
13 3HG2 ILE 2 HG21 ILE 2 -3.950 6.910 4.467
14 1HD1 ILE 2 HD13 ILE 2 -5.120 4.184 6.248
15 2HD1 ILE 2 HD12 ILE 2 -5.120 4.609 4.536
16 3HD1 ILE 2 HD11 ILE 2 -4.786 2.951 5.033
17 H VAL 3 HN VAL 3 -0.545 7.294 5.062
18 HA VAL 3 HA VAL 3 1.197 5.193 3.915
19 HB VAL 3 HB VAL 3 0.820 8.086 3.094
20 1HG1 VAL 3 HG12 VAL 3 2.139 5.705 1.758
21 2HG1 VAL 3 HG11 VAL 3 1.780 7.222 0.934
22 3HG1 VAL 3 HG13 VAL 3 2.923 7.197 2.276
23 1HG2 VAL 3 HG22 VAL 3 -0.690 5.575 2.558
24 2HG2 VAL 3 HG21 VAL 3 -1.248 7.250 2.549
25 3HG2 VAL 3 HG23 VAL 3 -0.372 6.608 1.161
26 H GLU 4 HN GLU 4 1.411 7.541 6.367
27 HA GLU 4 HA GLU 4 4.245 8.163 5.970
28 1HB GLU 4 HB2 GLU 4 2.089 8.962 7.812
29 2HB GLU 4 HB1 GLU 4 3.666 8.825 8.587
30 1HG GLU 4 HG2 GLU 4 3.908 10.157 6.013
31 2HG GLU 4 HG1 GLU 4 2.724 10.978 7.027
32 H GLN 5 HN GLN 5 2.778 5.333 6.825
33 HA GLN 5 HA GLN 5 4.007 4.492 9.217
34 1HB GLN 5 HB2 GLN 5 2.413 3.333 7.228
35 2HB GLN 5 HB1 GLN 5 3.890 2.374 7.206
36 1HG GLN 5 HG2 GLN 5 3.138 1.278 9.024
37 2HG GLN 5 HG1 GLN 5 3.302 2.774 9.939
38 1HE2 GLN 5 HE22 GLN 5 -0.282 3.551 8.979
39 2HE2 GLN 5 HE21 GLN 5 1.202 4.256 8.550
40 H CYS 6 HN CYS 6 5.150 3.657 5.897
41 HA CYS 6 HA CYS 6 7.929 3.909 6.949
42 1HB CYS 6 HB2 CYS 6 8.518 1.831 5.667
43 2HB CYS 6 HB1 CYS 6 7.457 1.552 7.045
44 H CYS 7 HN CYS 7 6.185 5.554 5.063
45 HA CYS 7 HA CYS 7 6.963 5.291 2.365
46 1HB CYS 7 HB2 CYS 7 5.321 6.958 3.148
47 2HB CYS 7 HB1 CYS 7 6.600 7.848 3.966
48 H THR 8 HN THR 8 8.898 6.274 5.110
49 HA THR 8 HA THR 8 10.946 7.700 3.716
50 HB THR 8 HB THR 8 11.390 6.043 6.203
51 HG1 THR 8 HG1 THR 8 10.316 8.658 6.037
52 1HG2 THR 8 HG23 THR 8 12.627 8.465 4.924
53 2HG2 THR 8 HG22 THR 8 12.757 8.219 6.666
54 3HG2 THR 8 HG21 THR 8 13.415 7.019 5.553
55 H SER 9 HN SER 9 11.314 4.405 5.110
56 HA SER 9 HA SER 9 13.095 3.785 2.785
57 1HB SER 9 HB2 SER 9 13.789 3.870 5.438
58 2HB SER 9 HB1 SER 9 13.409 2.163 5.229
59 HG SER 9 HG SER 9 15.342 3.756 3.943
60 H ILE 10 HN ILE 10 13.277 0.942 3.581
61 HA ILE 10 HA ILE 10 10.801 0.021 2.291
62 HB ILE 10 HB ILE 10 12.944 -1.783 3.419
63 1HG1 ILE 10 HG12 ILE 10 14.065 0.010 2.063
64 2HG1 ILE 10 HG11 ILE 10 14.214 -1.589 1.347
65 1HG2 ILE 10 HG22 ILE 10 10.849 -1.918 1.272
66 2HG2 ILE 10 HG21 ILE 10 12.252 -2.983 1.206
67 3HG2 ILE 10 HG23 ILE 10 11.160 -3.051 2.591
68 1HD1 ILE 10 HD11 ILE 10 11.921 0.177 0.552
69 2HD1 ILE 10 HD13 ILE 10 13.512 0.442 -0.160
70 3HD1 ILE 10 HD12 ILE 10 12.702 -1.110 -0.366
71 H CYS 11 HN CYS 11 9.669 -1.953 3.327
72 HA CYS 11 HA CYS 11 9.838 -2.164 6.240
73 1HB CYS 11 HB2 CYS 11 7.341 -1.541 6.462
74 2HB CYS 11 HB1 CYS 11 8.501 -0.230 6.323
75 H SER 12 HN SER 12 7.906 -3.572 7.036
76 HA SER 12 HA SER 12 7.932 -6.007 5.474
77 1HB SER 12 HB2 SER 12 6.048 -5.446 7.761
78 2HB SER 12 HB1 SER 12 6.759 -6.984 7.278
79 HG SER 12 HG SER 12 8.497 -6.503 8.369
80 H LEU 13 HN LEU 13 6.447 -6.727 4.037
81 HA LEU 13 HA LEU 13 4.433 -4.951 3.010
82 1HB LEU 13 HB2 LEU 13 5.288 -7.771 2.498
83 2HB LEU 13 HB1 LEU 13 3.728 -7.244 1.868
84 HG LEU 13 HG LEU 13 5.587 -6.920 0.238
85 1HD1 LEU 13 HD12 LEU 13 3.506 -5.427 0.406
86 2HD1 LEU 13 HD11 LEU 13 4.555 -4.239 1.180
87 3HD1 LEU 13 HD13 LEU 13 4.881 -4.757 -0.470
88 1HD2 LEU 13 HD22 LEU 13 7.388 -6.424 1.847
89 2HD2 LEU 13 HD21 LEU 13 7.239 -5.132 0.656
90 3HD2 LEU 13 HD23 LEU 13 6.589 -4.914 2.281
91 H TYR 14 HN TYR 14 4.400 -7.215 5.622
92 HA TYR 14 HA TYR 14 1.700 -8.065 5.628
93 1HB TYR 14 HB2 TYR 14 3.515 -7.381 7.961
94 2HB TYR 14 HB1 TYR 14 1.984 -8.248 8.104
95 HD1 TYR 14 HD1 TYR 14 1.696 -10.406 6.718
96 HD2 TYR 14 HD2 TYR 14 5.495 -8.535 7.432
97 HE1 TYR 14 HE1 TYR 14 2.847 -12.529 6.151
98 HE2 TYR 14 HE2 TYR 14 6.646 -10.659 6.867
99 HH TYR 14 HH TYR 14 5.373 -13.505 6.907
100 H GLN 15 HN GLN 15 3.062 -4.913 6.232
101 HA GLN 15 HA GLN 15 0.961 -3.787 7.812
102 1HB GLN 15 HB2 GLN 15 3.333 -2.849 7.049
103 2HB GLN 15 HB1 GLN 15 2.371 -2.126 5.759
104 1HG GLN 15 HG2 GLN 15 2.079 -0.458 7.299
105 2HG GLN 15 HG1 GLN 15 0.806 -1.529 7.887
106 1HE2 GLN 15 HE22 GLN 15 4.383 -1.648 9.934
107 2HE2 GLN 15 HE21 GLN 15 4.409 -1.461 8.247
108 H LEU 16 HN LEU 16 1.479 -3.804 4.267
109 HA LEU 16 HA LEU 16 -1.019 -2.489 3.685
110 1HB LEU 16 HB2 LEU 16 0.992 -4.028 2.075
111 2HB LEU 16 HB1 LEU 16 -0.580 -3.660 1.364
112 HG LEU 16 HG LEU 16 1.337 -1.623 2.542
113 1HD1 LEU 16 HD13 LEU 16 0.678 -2.490 -0.273
114 2HD1 LEU 16 HD12 LEU 16 1.357 -0.898 0.069
115 3HD1 LEU 16 HD11 LEU 16 2.261 -2.354 0.490
116 1HD2 LEU 16 HD22 LEU 16 -1.497 -1.513 1.931
117 2HD2 LEU 16 HD21 LEU 16 -0.468 -0.263 2.623
118 3HD2 LEU 16 HD23 LEU 16 -0.615 -0.415 0.873
119 H GLU 17 HN GLU 17 -0.263 -5.726 4.601
120 HA GLU 17 HA GLU 17 -2.435 -7.068 3.262
121 1HB GLU 17 HB2 GLU 17 -0.445 -7.703 5.341
122 2HB GLU 17 HB1 GLU 17 -1.988 -8.527 5.568
123 1HG GLU 17 HG2 GLU 17 -0.861 -8.486 2.807
124 2HG GLU 17 HG1 GLU 17 -0.069 -9.530 3.988
125 H ASN 18 HN ASN 18 -2.197 -5.125 6.167
126 HA ASN 18 HA ASN 18 -4.872 -5.954 7.104
127 1HB ASN 18 HB2 ASN 18 -2.738 -5.234 8.522
128 2HB ASN 18 HB1 ASN 18 -3.411 -3.623 8.275
129 1HD2 ASN 18 HD22 ASN 18 -5.049 -5.937 11.077
130 2HD2 ASN 18 HD21 ASN 18 -3.521 -6.214 10.392
131 H TYR 19 HN TYR 19 -4.112 -4.206 4.546
132 HA TYR 19 HA TYR 19 -5.829 -1.856 5.116
133 1HB TYR 19 HB2 TYR 19 -3.904 -2.595 2.916
134 2HB TYR 19 HB1 TYR 19 -5.112 -1.342 2.648
135 HD1 TYR 19 HD2 TYR 19 -3.115 -2.199 5.723
136 HD2 TYR 19 HD1 TYR 19 -3.987 0.711 2.681
137 HE1 TYR 19 HE2 TYR 19 -1.669 -0.558 6.879
138 HE2 TYR 19 HE1 TYR 19 -2.533 2.358 3.842
139 HH TYR 19 HH TYR 19 -1.521 2.007 6.984
140 H CYS 20 HN CYS 20 -6.692 -4.810 4.683
141 HA CYS 20 HA CYS 20 -8.486 -4.372 2.332
142 1HB CYS 20 HB2 CYS 20 -7.283 -6.809 3.610
143 2HB CYS 20 HB1 CYS 20 -8.793 -6.958 2.711
144 H ASN 21 HN ASN 21 -8.838 -3.460 5.244
145 HA ASN 21 HA ASN 21 -10.865 -5.061 6.479
146 1HB ASN 21 HB2 ASN 21 -10.107 -2.147 6.694
147 2HB ASN 21 HB1 ASN 21 -11.467 -2.811 7.598
148 1HD2 ASN 21 HD22 ASN 21 -7.748 -3.415 8.974
149 2HD2 ASN 21 HD21 ASN 21 -8.107 -2.322 7.726
150 1H PHE 1 HT2 PHE 1 5.711 -8.866 -0.180
151 2H PHE 1 HT1 PHE 1 4.020 -8.732 -0.096
152 3H PHE 1 HT3 PHE 1 4.726 -10.110 -0.788
153 HA PHE 1 HA PHE 1 4.141 -8.961 -2.658
154 1HB PHE 1 HB2 PHE 1 3.597 -6.929 -1.021
155 2HB PHE 1 HB1 PHE 1 5.140 -6.331 -1.616
156 HD1 PHE 1 HD1 PHE 1 4.291 -8.054 -4.400
157 HD2 PHE 1 HD2 PHE 1 2.787 -4.739 -2.097
158 HE1 PHE 1 HE1 PHE 1 3.182 -7.156 -6.414
159 HE2 PHE 1 HE2 PHE 1 1.681 -3.854 -4.126
160 HZ PHE 1 HZ PHE 1 1.875 -5.060 -6.277
161 H VAL 2 HN VAL 2 6.009 -6.685 -3.521
162 HA VAL 2 HA VAL 2 8.516 -8.296 -3.664
163 HB VAL 2 HB VAL 2 8.039 -6.256 -5.776
164 1HG1 VAL 2 HG12 VAL 2 9.872 -8.153 -5.441
165 2HG1 VAL 2 HG11 VAL 2 8.667 -9.137 -6.268
166 3HG1 VAL 2 HG13 VAL 2 9.315 -7.698 -7.050
167 1HG2 VAL 2 HG23 VAL 2 6.241 -8.660 -5.445
168 2HG2 VAL 2 HG22 VAL 2 5.808 -7.020 -5.933
169 3HG2 VAL 2 HG21 VAL 2 6.660 -8.082 -7.057
170 H ASN 3 HN ASN 3 10.440 -6.726 -4.211
171 HA ASN 3 HA ASN 3 10.741 -4.861 -2.080
172 1HB ASN 3 HB2 ASN 3 12.715 -4.016 -3.471
173 2HB ASN 3 HB1 ASN 3 12.734 -5.734 -3.079
174 1HD2 ASN 3 HD21 ASN 3 14.201 -5.776 -5.107
175 2HD2 ASN 3 HD22 ASN 3 13.439 -5.924 -6.616
176 H GLN 4 HN GLN 4 8.998 -3.372 -2.073
177 HA GLN 4 HA GLN 4 9.196 -1.258 -4.158
178 1HB GLN 4 HB2 GLN 4 6.842 -2.990 -3.568
179 2HB GLN 4 HB1 GLN 4 6.521 -1.272 -3.828
180 1HG GLN 4 HG2 GLN 4 7.548 -1.322 -5.997
181 2HG GLN 4 HG1 GLN 4 8.191 -2.940 -5.722
182 1HE2 GLN 4 HE22 GLN 4 5.124 -4.582 -6.480
183 2HE2 GLN 4 HE21 GLN 4 6.660 -4.759 -5.779
184 H HIS 5 HN HIS 5 7.707 0.658 -3.448
185 HA HIS 5 HA HIS 5 7.976 1.004 -0.485
186 1HB HIS 5 HB2 HIS 5 8.685 2.767 -2.781
187 2HB HIS 5 HB1 HIS 5 7.976 3.553 -1.370
188 HD1 HIS 5 HD1 HIS 5 11.133 2.325 -2.647
189 HD2 HIS 5 HD2 HIS 5 9.446 2.759 1.139
190 HE1 HIS 5 HE1 HIS 5 13.038 2.170 -0.988
191 H LEU 6 HN LEU 6 6.241 2.041 0.577
192 HA LEU 6 HA LEU 6 3.723 2.124 -1.008
193 1HB LEU 6 HB2 LEU 6 3.969 2.265 2.006
194 2HB LEU 6 HB1 LEU 6 2.535 1.893 1.064
195 HG LEU 6 HG LEU 6 3.219 -0.213 1.837
196 1HD1 LEU 6 HD13 LEU 6 3.004 -0.120 -0.704
197 2HD1 LEU 6 HD12 LEU 6 4.764 -0.098 -0.762
198 3HD1 LEU 6 HD11 LEU 6 3.929 -1.480 -0.066
199 1HD2 LEU 6 HD23 LEU 6 5.563 0.964 2.431
200 2HD2 LEU 6 HD22 LEU 6 5.348 -0.787 2.438
201 3HD2 LEU 6 HD21 LEU 6 6.072 0.006 1.038
202 H CYS 7 HN CYS 7 3.991 4.202 -1.958
203 HA CYS 7 HA CYS 7 3.134 6.406 -0.291
204 1HB CYS 7 HB2 CYS 7 5.863 6.003 -0.251
205 2HB CYS 7 HB1 CYS 7 5.684 7.182 -1.550
206 H GLY 8 HN GLY 8 2.590 8.288 -1.565
207 1HA GLY 8 HA2 GLY 8 1.779 9.337 -3.503
208 2HA GLY 8 HA1 GLY 8 3.104 8.547 -4.363
209 H SER 9 HN SER 9 2.161 7.569 -6.111
210 HA SER 9 HA SER 9 -0.484 6.308 -5.872
211 1HB SER 9 HB2 SER 9 -0.357 5.959 -8.228
212 2HB SER 9 HB1 SER 9 0.349 7.545 -7.939
213 HG SER 9 HG SER 9 2.051 6.767 -8.883
214 H HIS 10 HN HIS 10 2.780 5.337 -5.382
215 HA HIS 10 HA HIS 10 2.644 2.599 -6.215
216 1HB HIS 10 HB2 HIS 10 4.251 3.988 -4.053
217 2HB HIS 10 HB1 HIS 10 4.449 2.281 -4.447
218 HD1 HIS 10 HD1 HIS 10 6.879 3.931 -4.942
219 HD2 HIS 10 HD2 HIS 10 3.887 3.564 -7.821
220 HE1 HIS 10 HE1 HIS 10 7.954 4.482 -7.166
221 H LEU 11 HN LEU 11 1.591 4.301 -3.324
222 HA LEU 11 HA LEU 11 1.063 1.963 -1.734
223 1HB LEU 11 HB2 LEU 11 1.326 4.168 -0.709
224 2HB LEU 11 HB1 LEU 11 -0.071 4.778 -1.582
225 HG LEU 11 HG LEU 11 -0.375 4.107 0.899
226 1HD1 LEU 11 HD12 LEU 11 -2.134 4.344 -1.097
227 2HD1 LEU 11 HD11 LEU 11 -2.366 2.632 -0.747
228 3HD1 LEU 11 HD13 LEU 11 -2.613 3.832 0.522
229 1HD2 LEU 11 HD23 LEU 11 0.770 1.772 0.207
230 2HD2 LEU 11 HD22 LEU 11 -0.382 1.905 1.533
231 3HD2 LEU 11 HD21 LEU 11 -0.919 1.340 -0.049
232 H VAL 12 HN VAL 12 -1.166 4.108 -3.558
233 HA VAL 12 HA VAL 12 -3.537 2.648 -3.134
234 HB VAL 12 HB VAL 12 -2.853 3.982 -5.764
235 1HG1 VAL 12 HG11 VAL 12 -5.307 3.062 -4.350
236 2HG1 VAL 12 HG13 VAL 12 -5.421 4.615 -5.182
237 3HG1 VAL 12 HG12 VAL 12 -4.973 3.166 -6.082
238 1HG2 VAL 12 HG22 VAL 12 -3.275 5.126 -3.042
239 2HG2 VAL 12 HG21 VAL 12 -2.352 5.769 -4.404
240 3HG2 VAL 12 HG23 VAL 12 -4.109 5.926 -4.375
241 H GLU 13 HN GLU 13 -1.186 2.229 -5.795
242 HA GLU 13 HA GLU 13 -2.559 0.065 -7.065
243 1HB GLU 13 HB2 GLU 13 0.273 1.075 -7.086
244 2HB GLU 13 HB1 GLU 13 -0.109 -0.464 -7.860
245 1HG GLU 13 HG2 GLU 13 -1.923 1.813 -8.472
246 2HG GLU 13 HG1 GLU 13 -0.298 1.896 -9.154
247 H ALA 14 HN ALA 14 -0.400 0.221 -4.307
248 HA ALA 14 HA ALA 14 0.177 -2.606 -4.201
249 1HB ALA 14 HB3 ALA 14 1.328 -0.525 -3.000
250 2HB ALA 14 HB2 ALA 14 0.184 -0.932 -1.722
251 3HB ALA 14 HB1 ALA 14 1.359 -2.128 -2.267
252 H LEU 15 HN LEU 15 -2.474 -0.603 -3.103
253 HA LEU 15 HA LEU 15 -3.544 -2.618 -1.272
254 1HB LEU 15 HB2 LEU 15 -5.064 -0.311 -2.514
255 2HB LEU 15 HB1 LEU 15 -5.420 -1.144 -1.002
256 HG LEU 15 HG LEU 15 -2.947 0.511 -1.532
257 1HD1 LEU 15 HD11 LEU 15 -5.553 1.106 -0.165
258 2HD1 LEU 15 HD13 LEU 15 -4.075 1.965 0.272
259 3HD1 LEU 15 HD12 LEU 15 -4.699 2.066 -1.375
260 1HD2 LEU 15 HD22 LEU 15 -3.970 -1.013 0.853
261 2HD2 LEU 15 HD21 LEU 15 -2.376 -1.093 0.100
262 3HD2 LEU 15 HD23 LEU 15 -2.839 0.331 1.034
263 H GLU 16 HN GLU 16 -3.954 -1.690 -4.640
264 HA GLU 16 HA GLU 16 -6.320 -3.286 -5.114
265 1HB GLU 16 HB2 GLU 16 -4.969 -1.357 -6.526
266 2HB GLU 16 HB1 GLU 16 -4.521 -2.816 -7.409
267 1HG GLU 16 HG2 GLU 16 -6.689 -3.246 -8.076
268 2HG GLU 16 HG1 GLU 16 -7.392 -2.474 -6.653
269 H LEU 17 HN LEU 17 -2.845 -3.908 -5.284
270 HA LEU 17 HA LEU 17 -3.199 -6.505 -6.585
271 1HB LEU 17 HB2 LEU 17 -1.026 -4.736 -6.076
272 2HB LEU 17 HB1 LEU 17 -0.638 -6.260 -5.283
273 HG LEU 17 HG LEU 17 -1.568 -7.227 -7.603
274 1HD1 LEU 17 HD13 LEU 17 -0.536 -4.446 -8.182
275 2HD1 LEU 17 HD12 LEU 17 -0.534 -5.720 -9.401
276 3HD1 LEU 17 HD11 LEU 17 -2.057 -5.171 -8.703
277 1HD2 LEU 17 HD21 LEU 17 0.824 -7.171 -6.349
278 2HD2 LEU 17 HD23 LEU 17 0.611 -7.847 -7.963
279 3HD2 LEU 17 HD22 LEU 17 1.219 -6.203 -7.770
280 H VAL 18 HN VAL 18 -2.343 -5.409 -3.298
281 HA VAL 18 HA VAL 18 -2.080 -7.984 -2.121
282 HB VAL 18 HB VAL 18 -3.085 -5.435 -0.811
283 1HG1 VAL 18 HG13 VAL 18 -3.328 -7.697 0.401
284 2HG1 VAL 18 HG12 VAL 18 -1.566 -7.709 0.476
285 3HG1 VAL 18 HG11 VAL 18 -2.473 -6.416 1.261
286 1HG2 VAL 18 HG23 VAL 18 -0.673 -5.771 -2.102
287 2HG2 VAL 18 HG22 VAL 18 -0.944 -4.660 -0.760
288 3HG2 VAL 18 HG21 VAL 18 -0.269 -6.259 -0.454
289 H CYS 19 HN CYS 19 -4.927 -5.796 -2.030
290 HA CYS 19 HA CYS 19 -6.685 -7.801 -0.945
291 1HB CYS 19 HB2 CYS 19 -6.852 -5.036 -1.692
292 2HB CYS 19 HB1 CYS 19 -8.168 -5.883 -2.494
293 H GLY 20 HN GLY 20 -7.067 -6.307 -4.167
294 1HA GLY 20 HA2 GLY 20 -6.786 -7.816 -6.175
295 2HA GLY 20 HA1 GLY 20 -7.626 -9.048 -5.235
296 H GLU 21 HN GLU 21 -9.594 -7.218 -4.097
297 HA GLU 21 HA GLU 21 -11.378 -7.059 -6.450
298 1HB GLU 21 HB2 GLU 21 -13.124 -6.519 -4.730
299 2HB GLU 21 HB1 GLU 21 -12.327 -8.070 -4.463
300 1HG GLU 21 HG2 GLU 21 -11.020 -7.224 -2.682
301 2HG GLU 21 HG1 GLU 21 -11.326 -5.549 -3.143
302 H ARG 22 HN ARG 22 -12.754 -5.083 -6.703
303 HA ARG 22 HA ARG 22 -11.072 -2.665 -6.389
304 1HB ARG 22 HB2 ARG 22 -12.256 -3.368 -8.591
305 2HB ARG 22 HB1 ARG 22 -13.727 -2.775 -7.817
306 1HG ARG 22 HG2 ARG 22 -12.973 -0.851 -8.902
307 2HG ARG 22 HG1 ARG 22 -12.264 -0.653 -7.302
308 1HD ARG 22 HD2 ARG 22 -10.148 -0.932 -8.069
309 2HD ARG 22 HD1 ARG 22 -10.601 -2.233 -9.164
310 HE ARG 22 HE ARG 22 -10.154 0.497 -9.881
311 1HH1 ARG 22 HH21 ARG 22 -12.449 -2.053 -10.514
312 2HH1 ARG 22 HH22 ARG 22 -13.099 -1.258 -11.903
313 1HH2 ARG 22 HH11 ARG 22 -11.003 1.483 -11.688
314 2HH2 ARG 22 HH12 ARG 22 -12.283 0.721 -12.570
315 H GLY 23 HN GLY 23 -11.515 -1.175 -4.843
316 1HA GLY 23 HA2 GLY 23 -12.835 0.145 -3.372
317 2HA GLY 23 HA1 GLY 23 -14.255 -0.785 -3.856
318 H GLY 24 HN GLY 24 -11.301 -2.363 -2.829
319 1HA GLY 24 HA2 GLY 24 -12.688 -3.191 -0.310
320 2HA GLY 24 HA1 GLY 24 -11.662 -4.282 -1.245
321 H PHE 25 HN PHE 25 -10.866 -0.897 -0.749
322 HA PHE 25 HA PHE 25 -9.090 -1.362 1.505
323 1HB PHE 25 HB2 PHE 25 -6.989 -0.822 0.179
324 2HB PHE 25 HB1 PHE 25 -7.664 -2.422 -0.116
325 HD1 PHE 25 HD1 PHE 25 -8.898 -2.911 -2.187
326 HD2 PHE 25 HD2 PHE 25 -7.028 0.907 -1.547
327 HE1 PHE 25 HE1 PHE 25 -9.109 -2.400 -4.603
328 HE2 PHE 25 HE2 PHE 25 -7.245 1.416 -3.962
329 HZ PHE 25 HZ PHE 25 -8.285 -0.237 -5.490
330 H TYR 26 HN TYR 26 -7.386 0.702 1.359
331 HA TYR 26 HA TYR 26 -8.918 3.010 1.868
332 1HB TYR 26 HB2 TYR 26 -6.679 2.889 2.704
333 2HB TYR 26 HB1 TYR 26 -6.018 2.614 1.101
334 HD1 TYR 26 HD2 TYR 26 -8.496 5.166 2.286
335 HD2 TYR 26 HD1 TYR 26 -4.594 4.410 0.655
336 HE1 TYR 26 HE2 TYR 26 -8.143 7.604 2.015
337 HE2 TYR 26 HE1 TYR 26 -4.239 6.855 0.381
338 HH TYR 26 HH TYR 26 -5.618 8.902 0.152
339 H THR 27 HN THR 27 -10.269 3.920 0.391
340 HA THR 27 HA THR 27 -9.203 4.422 -2.359
341 HB THR 27 HB THR 27 -11.755 4.433 -2.933
342 HG1 THR 27 HG1 THR 27 -12.684 4.216 -0.994
343 1HG2 THR 27 HG21 THR 27 -9.935 2.106 -2.463
344 2HG2 THR 27 HG23 THR 27 -11.607 1.785 -2.921
345 3HG2 THR 27 HG22 THR 27 -10.570 2.741 -3.981
346 HA PRO 28 HA PRO 28 -9.848 8.529 -0.368
347 1HB PRO 28 HB2 PRO 28 -8.338 9.644 -2.563
348 2HB PRO 28 HB1 PRO 28 -7.876 9.534 -0.859
349 1HG PRO 28 HG2 PRO 28 -6.854 7.991 -3.055
350 2HG PRO 28 HG1 PRO 28 -6.414 7.868 -1.347
351 1HD PRO 28 HD2 PRO 28 -7.953 6.008 -2.897
352 2HD PRO 28 HD1 PRO 28 -7.540 5.910 -1.176
353 H LYS 29 HN LYS 29 -11.373 10.084 -0.959
354 HA LYS 29 HA LYS 29 -13.158 9.486 -3.134
355 1HB LYS 29 HB2 LYS 29 -12.901 11.620 -1.075
356 2HB LYS 29 HB1 LYS 29 -13.826 12.029 -2.520
357 1HG LYS 29 HG2 LYS 29 -14.386 9.381 -1.286
358 2HG LYS 29 HG1 LYS 29 -14.942 10.801 -0.399
359 1HD LYS 29 HD2 LYS 29 -15.472 10.662 -3.343
360 2HD LYS 29 HD1 LYS 29 -16.469 9.689 -2.262
361 1HE LYS 29 HE2 LYS 29 -16.072 12.461 -1.342
362 2HE LYS 29 HE1 LYS 29 -16.944 12.327 -2.871
363 1HZ LYS 29 HZ3 LYS 29 -18.341 10.596 -1.730
364 2HZ LYS 29 HZ2 LYS 29 -17.631 11.093 -0.269
365 3HZ LYS 29 HZ1 LYS 29 -18.553 12.188 -1.183
No H/Q in entry = 365
Start of MODEL 19
1 1H GLY 1 HT2 GLY 1 -4.210 8.093 10.079
2 2H GLY 1 HT1 GLY 1 -4.241 9.786 9.931
3 3H GLY 1 HT3 GLY 1 -5.260 8.832 8.964
4 1HA GLY 1 HA2 GLY 1 -3.504 9.495 7.566
5 2HA GLY 1 HA1 GLY 1 -2.311 9.085 8.800
6 H ILE 2 HN ILE 2 -1.639 7.849 6.656
7 HA ILE 2 HA ILE 2 -2.039 5.046 7.162
8 HB ILE 2 HB ILE 2 -4.230 5.499 6.131
9 1HG1 ILE 2 HG12 ILE 2 -2.738 4.127 3.935
10 2HG1 ILE 2 HG11 ILE 2 -2.643 3.428 5.553
11 1HG2 ILE 2 HG21 ILE 2 -3.301 7.475 4.778
12 2HG2 ILE 2 HG23 ILE 2 -2.761 6.270 3.610
13 3HG2 ILE 2 HG22 ILE 2 -4.479 6.442 3.968
14 1HD1 ILE 2 HD11 ILE 2 -5.338 4.241 4.560
15 2HD1 ILE 2 HD13 ILE 2 -4.618 2.788 3.867
16 3HD1 ILE 2 HD12 ILE 2 -4.888 2.895 5.606
17 H VAL 3 HN VAL 3 -1.217 7.447 4.647
18 HA VAL 3 HA VAL 3 0.920 5.673 3.621
19 HB VAL 3 HB VAL 3 0.128 8.456 2.712
20 1HG1 VAL 3 HG12 VAL 3 1.836 6.253 1.527
21 2HG1 VAL 3 HG11 VAL 3 1.229 7.610 0.579
22 3HG1 VAL 3 HG13 VAL 3 2.330 7.899 1.927
23 1HG2 VAL 3 HG21 VAL 3 -0.968 5.733 2.158
24 2HG2 VAL 3 HG23 VAL 3 -1.796 7.291 2.192
25 3HG2 VAL 3 HG22 VAL 3 -0.824 6.840 0.793
26 H GLU 4 HN GLU 4 0.639 8.072 6.024
27 HA GLU 4 HA GLU 4 3.399 9.060 5.674
28 1HB GLU 4 HB2 GLU 4 2.868 10.420 7.707
29 2HB GLU 4 HB1 GLU 4 1.721 10.676 6.393
30 1HG GLU 4 HG2 GLU 4 0.012 9.556 7.477
31 2HG GLU 4 HG1 GLU 4 1.121 8.524 8.382
32 H GLN 5 HN GLN 5 3.541 6.390 5.999
33 HA GLN 5 HA GLN 5 4.658 6.113 8.744
34 1HB GLN 5 HB2 GLN 5 2.459 4.556 7.521
35 2HB GLN 5 HB1 GLN 5 3.727 3.579 8.261
36 1HG GLN 5 HG2 GLN 5 3.489 5.241 10.266
37 2HG GLN 5 HG1 GLN 5 1.923 5.617 9.544
38 1HE2 GLN 5 HE22 GLN 5 2.482 2.028 11.403
39 2HE2 GLN 5 HE21 GLN 5 3.783 3.094 11.182
40 H CYS 6 HN CYS 6 4.430 4.726 5.463
41 HA CYS 6 HA CYS 6 7.248 3.770 5.777
42 1HB CYS 6 HB2 CYS 6 5.073 2.651 3.989
43 2HB CYS 6 HB1 CYS 6 6.704 2.005 4.173
44 H CYS 7 HN CYS 7 5.858 6.362 4.603
45 HA CYS 7 HA CYS 7 6.309 6.452 1.807
46 1HB CYS 7 HB2 CYS 7 5.756 8.322 3.943
47 2HB CYS 7 HB1 CYS 7 6.975 9.007 2.875
48 H THR 8 HN THR 8 8.597 6.618 4.473
49 HA THR 8 HA THR 8 10.754 7.444 2.602
50 HB THR 8 HB THR 8 11.018 6.994 5.579
51 HG1 THR 8 HG1 THR 8 9.424 8.502 5.352
52 1HG2 THR 8 HG22 THR 8 13.092 7.192 4.232
53 2HG2 THR 8 HG21 THR 8 12.525 8.743 3.613
54 3HG2 THR 8 HG23 THR 8 12.890 8.558 5.328
55 H SER 9 HN SER 9 10.637 5.063 5.291
56 HA SER 9 HA SER 9 12.690 3.446 4.025
57 1HB SER 9 HB2 SER 9 12.427 1.961 5.915
58 2HB SER 9 HB1 SER 9 12.331 3.615 6.513
59 HG SER 9 HG SER 9 10.067 3.417 6.482
60 H ILE 10 HN ILE 10 12.251 1.003 3.770
61 HA ILE 10 HA ILE 10 9.813 0.699 2.082
62 HB ILE 10 HB ILE 10 12.285 -1.058 2.219
63 1HG1 ILE 10 HG12 ILE 10 11.564 1.100 0.213
64 2HG1 ILE 10 HG11 ILE 10 12.766 1.287 1.492
65 1HG2 ILE 10 HG22 ILE 10 9.732 -1.418 1.001
66 2HG2 ILE 10 HG21 ILE 10 10.880 -1.085 -0.296
67 3HG2 ILE 10 HG23 ILE 10 11.167 -2.423 0.815
68 1HD1 ILE 10 HD12 ILE 10 14.047 -0.609 0.555
69 2HD1 ILE 10 HD11 ILE 10 12.852 -0.775 -0.730
70 3HD1 ILE 10 HD13 ILE 10 13.847 0.678 -0.633
71 H CYS 11 HN CYS 11 8.313 0.224 3.749
72 HA CYS 11 HA CYS 11 8.727 -1.638 5.868
73 1HB CYS 11 HB2 CYS 11 6.243 -0.639 4.472
74 2HB CYS 11 HB1 CYS 11 6.164 -1.780 5.814
75 H SER 12 HN SER 12 7.062 -3.637 5.934
76 HA SER 12 HA SER 12 7.744 -5.312 3.558
77 1HB SER 12 HB2 SER 12 8.665 -6.231 5.586
78 2HB SER 12 HB1 SER 12 7.144 -6.015 6.436
79 HG SER 12 HG SER 12 7.541 -8.183 5.670
80 H LEU 13 HN LEU 13 5.995 -7.115 3.224
81 HA LEU 13 HA LEU 13 3.534 -5.812 2.560
82 1HB LEU 13 HB2 LEU 13 4.781 -8.128 1.781
83 2HB LEU 13 HB1 LEU 13 3.437 -8.753 2.737
84 HG LEU 13 HG LEU 13 3.151 -6.709 0.517
85 1HD1 LEU 13 HD11 LEU 13 2.617 -9.694 0.544
86 2HD1 LEU 13 HD13 LEU 13 2.148 -8.599 -0.756
87 3HD1 LEU 13 HD12 LEU 13 3.855 -8.862 -0.397
88 1HD2 LEU 13 HD22 LEU 13 1.326 -7.955 2.505
89 2HD2 LEU 13 HD21 LEU 13 1.227 -6.381 1.714
90 3HD2 LEU 13 HD23 LEU 13 0.711 -7.833 0.856
91 H TYR 14 HN TYR 14 4.512 -7.598 5.436
92 HA TYR 14 HA TYR 14 1.916 -8.310 6.360
93 1HB TYR 14 HB2 TYR 14 2.883 -8.699 8.490
94 2HB TYR 14 HB1 TYR 14 4.167 -9.041 7.342
95 HD1 TYR 14 HD1 TYR 14 2.840 -6.417 9.643
96 HD2 TYR 14 HD2 TYR 14 6.226 -7.864 7.434
97 HE1 TYR 14 HE1 TYR 14 4.294 -4.776 10.800
98 HE2 TYR 14 HE2 TYR 14 7.679 -6.220 8.590
99 HH TYR 14 HH TYR 14 6.402 -3.655 10.488
100 H GLN 15 HN GLN 15 3.411 -5.201 6.120
101 HA GLN 15 HA GLN 15 1.728 -3.910 8.126
102 1HB GLN 15 HB2 GLN 15 4.070 -3.210 6.927
103 2HB GLN 15 HB1 GLN 15 2.931 -2.271 5.964
104 1HG GLN 15 HG2 GLN 15 3.005 -2.261 8.995
105 2HG GLN 15 HG1 GLN 15 3.776 -1.042 7.980
106 1HE2 GLN 15 HE22 GLN 15 -0.123 -0.675 8.792
107 2HE2 GLN 15 HE21 GLN 15 0.914 -1.727 9.629
108 H LEU 16 HN LEU 16 1.826 -3.939 4.546
109 HA LEU 16 HA LEU 16 -0.591 -2.407 4.238
110 1HB LEU 16 HB2 LEU 16 1.102 -4.102 2.443
111 2HB LEU 16 HB1 LEU 16 -0.517 -3.664 1.902
112 HG LEU 16 HG LEU 16 1.378 -1.586 2.989
113 1HD1 LEU 16 HD11 LEU 16 1.403 -2.957 0.349
114 2HD1 LEU 16 HD13 LEU 16 1.571 -1.201 0.328
115 3HD1 LEU 16 HD12 LEU 16 2.722 -2.186 1.231
116 1HD2 LEU 16 HD23 LEU 16 -1.319 -1.580 2.102
117 2HD2 LEU 16 HD22 LEU 16 -0.322 -0.181 2.496
118 3HD2 LEU 16 HD21 LEU 16 -0.388 -0.774 0.838
119 H GLU 17 HN GLU 17 -0.045 -5.706 5.111
120 HA GLU 17 HA GLU 17 -2.334 -6.985 4.043
121 1HB GLU 17 HB2 GLU 17 -0.328 -7.929 5.445
122 2HB GLU 17 HB1 GLU 17 -1.371 -7.590 6.826
123 1HG GLU 17 HG2 GLU 17 -3.168 -8.942 5.794
124 2HG GLU 17 HG1 GLU 17 -2.108 -9.298 4.430
125 H ASN 18 HN ASN 18 -2.091 -4.570 6.533
126 HA ASN 18 HA ASN 18 -4.821 -5.173 7.534
127 1HB ASN 18 HB2 ASN 18 -2.717 -3.179 8.428
128 2HB ASN 18 HB1 ASN 18 -4.308 -3.342 9.175
129 1HD2 ASN 18 HD22 ASN 18 -1.414 -5.778 10.404
130 2HD2 ASN 18 HD21 ASN 18 -1.153 -4.316 9.580
131 H TYR 19 HN TYR 19 -4.399 -4.183 4.802
132 HA TYR 19 HA TYR 19 -5.647 -1.475 5.011
133 1HB TYR 19 HB2 TYR 19 -3.861 -2.749 2.953
134 2HB TYR 19 HB1 TYR 19 -4.931 -1.426 2.494
135 HD1 TYR 19 HD2 TYR 19 -2.758 -2.212 5.463
136 HD2 TYR 19 HD1 TYR 19 -3.876 0.647 2.456
137 HE1 TYR 19 HE2 TYR 19 -1.152 -0.582 6.417
138 HE2 TYR 19 HE1 TYR 19 -2.266 2.277 3.410
139 HH TYR 19 HH TYR 19 -0.775 1.811 6.463
140 H CYS 20 HN CYS 20 -6.494 -4.665 4.516
141 HA CYS 20 HA CYS 20 -8.493 -4.084 2.403
142 1HB CYS 20 HB2 CYS 20 -7.521 -6.619 3.729
143 2HB CYS 20 HB1 CYS 20 -8.961 -6.596 2.710
144 H ASN 21 HN ASN 21 -8.874 -2.768 4.900
145 HA ASN 21 HA ASN 21 -10.809 -4.268 6.493
146 1HB ASN 21 HB2 ASN 21 -9.961 -1.361 6.465
147 2HB ASN 21 HB1 ASN 21 -11.170 -2.002 7.580
148 1HD2 ASN 21 HD22 ASN 21 -8.378 -2.579 9.718
149 2HD2 ASN 21 HD21 ASN 21 -9.723 -1.584 9.428
150 1H PHE 1 HT1 PHE 1 7.277 -3.568 -3.227
151 2H PHE 1 HT3 PHE 1 5.933 -4.587 -3.128
152 3H PHE 1 HT2 PHE 1 5.716 -2.906 -3.200
153 HA PHE 1 HA PHE 1 6.724 -2.593 -1.072
154 1HB PHE 1 HB2 PHE 1 5.164 -4.239 0.304
155 2HB PHE 1 HB1 PHE 1 4.492 -2.897 -0.613
156 HD1 PHE 1 HD2 PHE 1 5.322 -6.540 -0.915
157 HD2 PHE 1 HD1 PHE 1 2.883 -3.279 -2.236
158 HE1 PHE 1 HE2 PHE 1 3.954 -8.107 -2.264
159 HE2 PHE 1 HE1 PHE 1 1.508 -4.834 -3.580
160 HZ PHE 1 HZ PHE 1 2.048 -7.242 -3.593
161 H VAL 2 HN VAL 2 6.888 -5.979 -2.152
162 HA VAL 2 HA VAL 2 8.270 -7.084 0.065
163 HB VAL 2 HB VAL 2 8.860 -7.728 -2.841
164 1HG1 VAL 2 HG12 VAL 2 10.293 -8.768 -1.078
165 2HG1 VAL 2 HG11 VAL 2 8.840 -9.453 -0.347
166 3HG1 VAL 2 HG13 VAL 2 9.334 -9.954 -1.964
167 1HG2 VAL 2 HG22 VAL 2 6.488 -8.400 -1.099
168 2HG2 VAL 2 HG21 VAL 2 6.503 -7.861 -2.779
169 3HG2 VAL 2 HG23 VAL 2 7.001 -9.505 -2.375
170 H ASN 3 HN ASN 3 9.299 -4.883 -2.427
171 HA ASN 3 HA ASN 3 11.747 -4.248 -0.988
172 1HB ASN 3 HB2 ASN 3 11.779 -5.823 -3.542
173 2HB ASN 3 HB1 ASN 3 13.020 -4.593 -3.295
174 1HD2 ASN 3 HD22 ASN 3 13.587 -8.104 -1.568
175 2HD2 ASN 3 HD21 ASN 3 12.621 -7.826 -2.936
176 H GLN 4 HN GLN 4 9.244 -2.972 -1.887
177 HA GLN 4 HA GLN 4 10.398 -0.840 -3.648
178 1HB GLN 4 HB2 GLN 4 7.482 -1.670 -3.574
179 2HB GLN 4 HB1 GLN 4 8.257 -0.576 -4.718
180 1HG GLN 4 HG2 GLN 4 9.406 -2.328 -5.811
181 2HG GLN 4 HG1 GLN 4 9.160 -3.446 -4.471
182 1HE2 GLN 4 HE22 GLN 4 5.706 -2.599 -6.525
183 2HE2 GLN 4 HE21 GLN 4 6.698 -1.327 -5.998
184 H HIS 5 HN HIS 5 9.131 1.264 -3.381
185 HA HIS 5 HA HIS 5 8.624 1.709 -0.486
186 1HB HIS 5 HB2 HIS 5 9.352 3.479 -2.802
187 2HB HIS 5 HB1 HIS 5 8.555 4.182 -1.394
188 HD1 HIS 5 HD1 HIS 5 11.806 2.911 -2.579
189 HD2 HIS 5 HD2 HIS 5 10.050 3.772 1.101
190 HE1 HIS 5 HE1 HIS 5 13.683 2.963 -0.880
191 H LEU 6 HN LEU 6 6.712 3.085 0.077
192 HA LEU 6 HA LEU 6 4.424 2.438 -1.735
193 1HB LEU 6 HB2 LEU 6 4.391 3.066 1.229
194 2HB LEU 6 HB1 LEU 6 3.011 2.563 0.256
195 HG LEU 6 HG LEU 6 5.518 0.893 0.542
196 1HD1 LEU 6 HD11 LEU 6 4.117 1.417 2.699
197 2HD1 LEU 6 HD13 LEU 6 2.937 0.322 1.978
198 3HD1 LEU 6 HD12 LEU 6 4.563 -0.253 2.347
199 1HD2 LEU 6 HD21 LEU 6 2.702 0.370 -0.461
200 2HD2 LEU 6 HD23 LEU 6 4.191 0.333 -1.406
201 3HD2 LEU 6 HD22 LEU 6 3.891 -0.903 -0.184
202 H CYS 7 HN CYS 7 6.287 5.077 -0.590
203 HA CYS 7 HA CYS 7 4.323 7.092 -0.301
204 1HB CYS 7 HB2 CYS 7 7.000 7.073 -0.048
205 2HB CYS 7 HB1 CYS 7 6.881 7.832 -1.634
206 H GLY 8 HN GLY 8 3.215 8.374 -1.722
207 1HA GLY 8 HA2 GLY 8 2.587 9.294 -3.825
208 2HA GLY 8 HA1 GLY 8 3.836 8.317 -4.600
209 H SER 9 HN SER 9 2.140 7.719 -6.183
210 HA SER 9 HA SER 9 -0.236 6.300 -5.421
211 1HB SER 9 HB2 SER 9 0.070 5.361 -7.859
212 2HB SER 9 HB1 SER 9 -0.315 7.062 -7.614
213 HG SER 9 HG SER 9 2.075 5.842 -8.395
214 H HIS 10 HN HIS 10 3.074 5.335 -5.367
215 HA HIS 10 HA HIS 10 3.005 2.601 -5.992
216 1HB HIS 10 HB2 HIS 10 4.520 4.093 -3.833
217 2HB HIS 10 HB1 HIS 10 4.809 2.392 -4.212
218 HD1 HIS 10 HD1 HIS 10 4.993 5.828 -5.800
219 HD2 HIS 10 HD2 HIS 10 6.326 1.945 -6.523
220 HE1 HIS 10 HE1 HIS 10 6.594 5.974 -7.757
221 H LEU 11 HN LEU 11 1.670 4.254 -3.203
222 HA LEU 11 HA LEU 11 1.300 1.878 -1.581
223 1HB LEU 11 HB2 LEU 11 1.349 4.161 -0.609
224 2HB LEU 11 HB1 LEU 11 -0.127 4.561 -1.471
225 HG LEU 11 HG LEU 11 -0.330 3.903 1.014
226 1HD1 LEU 11 HD13 LEU 11 -2.098 3.777 -1.003
227 2HD1 LEU 11 HD12 LEU 11 -2.072 2.074 -0.548
228 3HD1 LEU 11 HD11 LEU 11 -2.499 3.298 0.645
229 1HD2 LEU 11 HD22 LEU 11 1.197 1.811 0.503
230 2HD2 LEU 11 HD21 LEU 11 -0.110 1.689 1.681
231 3HD2 LEU 11 HD23 LEU 11 -0.333 1.062 0.047
232 H VAL 12 HN VAL 12 -1.118 3.932 -3.241
233 HA VAL 12 HA VAL 12 -3.354 2.300 -3.030
234 HB VAL 12 HB VAL 12 -2.570 3.886 -5.495
235 1HG1 VAL 12 HG12 VAL 12 -5.117 2.680 -4.457
236 2HG1 VAL 12 HG11 VAL 12 -5.200 4.201 -5.347
237 3HG1 VAL 12 HG13 VAL 12 -4.516 2.767 -6.114
238 1HG2 VAL 12 HG22 VAL 12 -3.512 4.656 -2.763
239 2HG2 VAL 12 HG21 VAL 12 -2.430 5.513 -3.863
240 3HG2 VAL 12 HG23 VAL 12 -4.172 5.545 -4.138
241 H GLU 13 HN GLU 13 -1.032 2.167 -5.755
242 HA GLU 13 HA GLU 13 -2.216 0.007 -7.140
243 1HB GLU 13 HB2 GLU 13 0.612 1.042 -6.961
244 2HB GLU 13 HB1 GLU 13 0.228 -0.382 -7.933
245 1HG GLU 13 HG2 GLU 13 -1.622 1.049 -8.999
246 2HG GLU 13 HG1 GLU 13 -0.820 2.433 -8.256
247 H ALA 14 HN ALA 14 0.062 0.000 -4.419
248 HA ALA 14 HA ALA 14 0.585 -2.828 -4.473
249 1HB ALA 14 HB1 ALA 14 0.832 -0.709 -2.343
250 2HB ALA 14 HB3 ALA 14 1.137 -2.409 -1.983
251 3HB ALA 14 HB2 ALA 14 2.114 -1.575 -3.192
252 H LEU 15 HN LEU 15 -1.971 -0.857 -3.079
253 HA LEU 15 HA LEU 15 -3.087 -2.859 -1.354
254 1HB LEU 15 HB2 LEU 15 -4.629 -0.676 -2.790
255 2HB LEU 15 HB1 LEU 15 -5.073 -1.483 -1.287
256 HG LEU 15 HG LEU 15 -2.687 0.339 -1.699
257 1HD1 LEU 15 HD13 LEU 15 -5.378 0.645 -0.419
258 2HD1 LEU 15 HD12 LEU 15 -4.003 1.563 0.196
259 3HD1 LEU 15 HD11 LEU 15 -4.516 1.759 -1.481
260 1HD2 LEU 15 HD23 LEU 15 -3.609 -1.280 0.685
261 2HD2 LEU 15 HD22 LEU 15 -2.034 -1.334 -0.110
262 3HD2 LEU 15 HD21 LEU 15 -2.502 0.086 0.828
263 H GLU 16 HN GLU 16 -3.610 -2.011 -4.760
264 HA GLU 16 HA GLU 16 -5.730 -3.887 -5.244
265 1HB GLU 16 HB2 GLU 16 -4.492 -1.952 -6.744
266 2HB GLU 16 HB1 GLU 16 -3.836 -3.417 -7.471
267 1HG GLU 16 HG2 GLU 16 -5.961 -4.216 -8.088
268 2HG GLU 16 HG1 GLU 16 -6.789 -3.168 -6.936
269 H LEU 17 HN LEU 17 -2.221 -4.147 -5.207
270 HA LEU 17 HA LEU 17 -2.000 -6.764 -6.370
271 1HB LEU 17 HB2 LEU 17 -0.262 -4.814 -5.210
272 2HB LEU 17 HB1 LEU 17 0.042 -6.338 -4.380
273 HG LEU 17 HG LEU 17 0.194 -7.425 -6.671
274 1HD1 LEU 17 HD12 LEU 17 -0.983 -5.533 -7.845
275 2HD1 LEU 17 HD11 LEU 17 0.454 -4.544 -7.583
276 3HD1 LEU 17 HD13 LEU 17 0.549 -5.987 -8.592
277 1HD2 LEU 17 HD22 LEU 17 2.111 -5.392 -5.574
278 2HD2 LEU 17 HD21 LEU 17 2.280 -7.146 -5.675
279 3HD2 LEU 17 HD23 LEU 17 2.479 -6.155 -7.121
280 H VAL 18 HN VAL 18 -2.524 -5.628 -3.053
281 HA VAL 18 HA VAL 18 -2.300 -8.258 -1.851
282 HB VAL 18 HB VAL 18 -3.642 -5.761 -0.766
283 1HG1 VAL 18 HG13 VAL 18 -3.783 -8.278 0.247
284 2HG1 VAL 18 HG12 VAL 18 -2.286 -7.724 0.996
285 3HG1 VAL 18 HG11 VAL 18 -3.784 -6.828 1.250
286 1HG2 VAL 18 HG23 VAL 18 -0.789 -6.611 -1.026
287 2HG2 VAL 18 HG22 VAL 18 -1.485 -4.990 -1.064
288 3HG2 VAL 18 HG21 VAL 18 -1.269 -5.819 0.476
289 H CYS 19 HN CYS 19 -5.197 -6.148 -1.910
290 HA CYS 19 HA CYS 19 -6.901 -8.563 -1.971
291 1HB CYS 19 HB2 CYS 19 -7.287 -5.670 -1.336
292 2HB CYS 19 HB1 CYS 19 -8.682 -6.553 -1.955
293 H GLY 20 HN GLY 20 -6.763 -5.473 -3.789
294 1HA GLY 20 HA2 GLY 20 -7.090 -5.064 -6.080
295 2HA GLY 20 HA1 GLY 20 -6.905 -6.796 -6.354
296 H GLU 21 HN GLU 21 -9.296 -5.410 -4.168
297 HA GLU 21 HA GLU 21 -11.431 -6.724 -5.725
298 1HB GLU 21 HB2 GLU 21 -11.222 -5.475 -3.002
299 2HB GLU 21 HB1 GLU 21 -12.813 -5.682 -3.735
300 1HG GLU 21 HG2 GLU 21 -10.927 -8.003 -3.781
301 2HG GLU 21 HG1 GLU 21 -11.729 -7.611 -2.260
302 H ARG 22 HN ARG 22 -13.596 -5.219 -5.594
303 HA ARG 22 HA ARG 22 -12.895 -2.841 -7.211
304 1HB ARG 22 HB2 ARG 22 -14.688 -4.552 -7.875
305 2HB ARG 22 HB1 ARG 22 -15.675 -3.855 -6.589
306 1HG ARG 22 HG2 ARG 22 -16.334 -2.593 -8.447
307 2HG ARG 22 HG1 ARG 22 -15.095 -1.573 -7.724
308 1HD ARG 22 HD2 ARG 22 -13.488 -2.164 -9.328
309 2HD ARG 22 HD1 ARG 22 -14.348 -3.623 -9.807
310 HE ARG 22 HE ARG 22 -14.636 -0.997 -10.949
311 1HH1 ARG 22 HH21 ARG 22 -16.567 -3.739 -10.019
312 2HH1 ARG 22 HH22 ARG 22 -17.947 -3.200 -10.911
313 1HH2 ARG 22 HH11 ARG 22 -16.423 -0.332 -12.103
314 2HH2 ARG 22 HH12 ARG 22 -17.868 -1.290 -12.086
315 H GLY 23 HN GLY 23 -12.107 -2.339 -4.691
316 1HA GLY 23 HA2 GLY 23 -12.496 -0.164 -3.550
317 2HA GLY 23 HA1 GLY 23 -14.224 -0.510 -3.631
318 H GLY 24 HN GLY 24 -11.605 -2.731 -2.723
319 1HA GLY 24 HA2 GLY 24 -13.014 -3.185 -0.136
320 2HA GLY 24 HA1 GLY 24 -11.886 -4.314 -0.889
321 H PHE 25 HN PHE 25 -9.987 -2.086 -1.524
322 HA PHE 25 HA PHE 25 -8.829 -1.829 1.213
323 1HB PHE 25 HB2 PHE 25 -6.677 -1.359 -0.044
324 2HB PHE 25 HB1 PHE 25 -7.320 -2.985 -0.260
325 HD1 PHE 25 HD2 PHE 25 -6.813 0.306 -1.851
326 HD2 PHE 25 HD1 PHE 25 -8.271 -3.699 -2.384
327 HE1 PHE 25 HE2 PHE 25 -6.893 0.662 -4.303
328 HE2 PHE 25 HE1 PHE 25 -8.348 -3.344 -4.837
329 HZ PHE 25 HZ PHE 25 -7.660 -1.165 -5.797
330 H TYR 26 HN TYR 26 -7.184 0.258 1.061
331 HA TYR 26 HA TYR 26 -8.866 2.545 1.210
332 1HB TYR 26 HB2 TYR 26 -6.801 2.588 2.412
333 2HB TYR 26 HB1 TYR 26 -5.866 2.218 0.972
334 HD1 TYR 26 HD2 TYR 26 -8.589 4.746 1.514
335 HD2 TYR 26 HD1 TYR 26 -4.445 4.044 0.613
336 HE1 TYR 26 HE2 TYR 26 -8.272 7.168 1.088
337 HE2 TYR 26 HE1 TYR 26 -4.130 6.468 0.185
338 HH TYR 26 HH TYR 26 -5.126 8.571 0.656
339 H THR 27 HN THR 27 -9.848 3.576 -0.426
340 HA THR 27 HA THR 27 -8.450 3.765 -3.064
341 HB THR 27 HB THR 27 -10.777 3.728 -4.071
342 HG1 THR 27 HG1 THR 27 -12.438 3.128 -2.798
343 1HG2 THR 27 HG21 THR 27 -9.110 1.726 -3.734
344 2HG2 THR 27 HG23 THR 27 -10.311 1.174 -2.565
345 3HG2 THR 27 HG22 THR 27 -10.764 1.404 -4.253
346 HA PRO 28 HA PRO 28 -9.122 8.037 -1.499
347 1HB PRO 28 HB2 PRO 28 -7.356 8.934 -3.600
348 2HB PRO 28 HB1 PRO 28 -7.072 8.932 -1.855
349 1HG PRO 28 HG2 PRO 28 -5.888 7.211 -3.816
350 2HG PRO 28 HG1 PRO 28 -5.651 7.178 -2.063
351 1HD PRO 28 HD2 PRO 28 -7.113 5.300 -3.687
352 2HD PRO 28 HD1 PRO 28 -6.853 5.260 -1.934
353 H LYS 29 HN LYS 29 -10.979 8.964 -2.201
354 HA LYS 29 HA LYS 29 -12.648 9.789 -3.621
355 1HB LYS 29 HB2 LYS 29 -10.122 10.145 -5.184
356 2HB LYS 29 HB1 LYS 29 -11.660 10.391 -6.013
357 1HG LYS 29 HG2 LYS 29 -12.302 12.136 -4.545
358 2HG LYS 29 HG1 LYS 29 -11.077 11.696 -3.353
359 1HD LYS 29 HD2 LYS 29 -9.977 13.461 -4.343
360 2HD LYS 29 HD1 LYS 29 -9.451 12.173 -5.428
361 1HE LYS 29 HE2 LYS 29 -10.228 13.861 -6.889
362 2HE LYS 29 HE1 LYS 29 -11.574 12.725 -6.798
363 1HZ LYS 29 HZ3 LYS 29 -11.302 15.179 -5.146
364 2HZ LYS 29 HZ2 LYS 29 -12.282 15.037 -6.528
365 3HZ LYS 29 HZ1 LYS 29 -12.619 14.109 -5.145
No H/Q in entry = 365
Start of MODEL 20
1 1H GLY 1 HT2 GLY 1 -1.735 10.147 6.481
2 2H GLY 1 HT1 GLY 1 -3.381 10.559 6.418
3 3H GLY 1 HT3 GLY 1 -2.283 11.583 7.205
4 1HA GLY 1 HA2 GLY 1 -2.059 10.215 9.026
5 2HA GLY 1 HA1 GLY 1 -3.764 10.028 8.610
6 H ILE 2 HN ILE 2 -3.928 8.309 6.630
7 HA ILE 2 HA ILE 2 -3.079 5.785 7.792
8 HB ILE 2 HB ILE 2 -5.231 6.043 6.584
9 1HG1 ILE 2 HG12 ILE 2 -4.598 4.073 4.831
10 2HG1 ILE 2 HG11 ILE 2 -3.171 4.025 5.867
11 1HG2 ILE 2 HG23 ILE 2 -3.942 7.539 4.785
12 2HG2 ILE 2 HG22 ILE 2 -3.820 5.989 3.953
13 3HG2 ILE 2 HG21 ILE 2 -5.404 6.647 4.366
14 1HD1 ILE 2 HD11 ILE 2 -5.049 4.179 7.777
15 2HD1 ILE 2 HD13 ILE 2 -6.009 3.397 6.523
16 3HD1 ILE 2 HD12 ILE 2 -4.528 2.638 7.102
17 H VAL 3 HN VAL 3 -1.959 7.843 5.161
18 HA VAL 3 HA VAL 3 0.011 5.820 4.290
19 HB VAL 3 HB VAL 3 -0.355 8.669 3.319
20 1HG1 VAL 3 HG12 VAL 3 1.283 6.309 2.486
21 2HG1 VAL 3 HG11 VAL 3 0.638 7.360 1.225
22 3HG1 VAL 3 HG13 VAL 3 1.698 8.022 2.469
23 1HG2 VAL 3 HG22 VAL 3 -1.805 6.127 2.741
24 2HG2 VAL 3 HG21 VAL 3 -2.385 7.792 2.675
25 3HG2 VAL 3 HG23 VAL 3 -1.405 7.147 1.358
26 H GLU 4 HN GLU 4 -0.013 7.592 6.953
27 HA GLU 4 HA GLU 4 2.777 8.609 6.669
28 1HB GLU 4 HB2 GLU 4 0.417 9.442 8.234
29 2HB GLU 4 HB1 GLU 4 1.919 9.425 9.155
30 1HG GLU 4 HG2 GLU 4 2.031 10.627 6.434
31 2HG GLU 4 HG1 GLU 4 1.172 11.541 7.675
32 H GLN 5 HN GLN 5 2.049 5.770 6.951
33 HA GLN 5 HA GLN 5 3.279 5.219 9.623
34 1HB GLN 5 HB2 GLN 5 0.918 4.409 9.328
35 2HB GLN 5 HB1 GLN 5 1.485 3.380 8.013
36 1HG GLN 5 HG2 GLN 5 1.780 1.841 9.671
37 2HG GLN 5 HG1 GLN 5 3.275 2.729 9.964
38 1HE2 GLN 5 HE22 GLN 5 2.060 3.047 13.294
39 2HE2 GLN 5 HE21 GLN 5 3.189 2.275 12.291
40 H CYS 6 HN CYS 6 3.255 4.410 6.174
41 HA CYS 6 HA CYS 6 5.892 3.060 6.579
42 1HB CYS 6 HB2 CYS 6 3.576 2.193 4.836
43 2HB CYS 6 HB1 CYS 6 5.211 1.561 4.645
44 H CYS 7 HN CYS 7 4.873 5.832 5.559
45 HA CYS 7 HA CYS 7 5.901 5.781 2.787
46 1HB CYS 7 HB2 CYS 7 3.889 7.141 3.370
47 2HB CYS 7 HB1 CYS 7 4.893 8.118 4.441
48 H THR 8 HN THR 8 6.913 6.696 6.015
49 HA THR 8 HA THR 8 9.137 8.357 5.158
50 HB THR 8 HB THR 8 8.895 6.947 7.820
51 HG1 THR 8 HG1 THR 8 7.023 7.955 7.813
52 1HG2 THR 8 HG21 THR 8 10.395 9.261 6.683
53 2HG2 THR 8 HG23 THR 8 9.845 9.392 8.354
54 3HG2 THR 8 HG22 THR 8 10.906 8.067 7.876
55 H SER 9 HN SER 9 8.674 4.925 5.730
56 HA SER 9 HA SER 9 11.512 4.496 4.902
57 1HB SER 9 HB2 SER 9 11.676 2.633 6.520
58 2HB SER 9 HB1 SER 9 11.369 4.163 7.338
59 HG SER 9 HG SER 9 9.226 3.589 7.550
60 H ILE 10 HN ILE 10 11.591 1.807 4.709
61 HA ILE 10 HA ILE 10 9.520 1.248 2.638
62 HB ILE 10 HB ILE 10 12.056 -0.342 3.111
63 1HG1 ILE 10 HG12 ILE 10 11.716 2.021 1.237
64 2HG1 ILE 10 HG11 ILE 10 12.586 2.096 2.768
65 1HG2 ILE 10 HG23 ILE 10 10.035 -0.031 0.903
66 2HG2 ILE 10 HG22 ILE 10 11.674 -0.567 0.532
67 3HG2 ILE 10 HG21 ILE 10 10.664 -1.511 1.629
68 1HD1 ILE 10 HD11 ILE 10 13.617 -0.161 1.406
69 2HD1 ILE 10 HD13 ILE 10 13.509 1.129 0.206
70 3HD1 ILE 10 HD12 ILE 10 14.428 1.379 1.690
71 H CYS 11 HN CYS 11 7.818 0.440 3.887
72 HA CYS 11 HA CYS 11 8.159 -1.422 6.060
73 1HB CYS 11 HB2 CYS 11 5.890 -0.308 4.500
74 2HB CYS 11 HB1 CYS 11 5.599 -1.870 5.261
75 H SER 12 HN SER 12 6.573 -3.558 5.681
76 HA SER 12 HA SER 12 7.924 -5.029 3.461
77 1HB SER 12 HB2 SER 12 7.076 -5.779 6.217
78 2HB SER 12 HB1 SER 12 6.937 -7.015 4.970
79 HG SER 12 HG SER 12 9.190 -5.756 6.025
80 H LEU 13 HN LEU 13 6.596 -6.749 2.431
81 HA LEU 13 HA LEU 13 4.040 -5.703 1.593
82 1HB LEU 13 HB2 LEU 13 5.330 -6.922 -0.014
83 2HB LEU 13 HB1 LEU 13 5.494 -8.306 1.063
84 HG LEU 13 HG LEU 13 3.121 -8.819 0.847
85 1HD1 LEU 13 HD13 LEU 13 3.011 -6.073 -0.142
86 2HD1 LEU 13 HD12 LEU 13 2.161 -7.191 -1.208
87 3HD1 LEU 13 HD11 LEU 13 1.716 -7.086 0.495
88 1HD2 LEU 13 HD22 LEU 13 4.887 -9.390 -0.997
89 2HD2 LEU 13 HD21 LEU 13 3.178 -9.645 -1.347
90 3HD2 LEU 13 HD23 LEU 13 4.001 -8.214 -1.966
91 H TYR 14 HN TYR 14 4.979 -7.763 4.226
92 HA TYR 14 HA TYR 14 2.304 -8.980 4.426
93 1HB TYR 14 HB2 TYR 14 3.216 -10.020 6.516
94 2HB TYR 14 HB1 TYR 14 4.155 -10.389 5.073
95 HD1 TYR 14 HD1 TYR 14 4.000 -7.917 7.895
96 HD2 TYR 14 HD2 TYR 14 6.458 -10.031 5.077
97 HE1 TYR 14 HE1 TYR 14 6.031 -7.001 8.980
98 HE2 TYR 14 HE2 TYR 14 8.491 -9.113 6.161
99 HH TYR 14 HH TYR 14 8.634 -6.581 7.951
100 H GLN 15 HN GLN 15 3.147 -5.925 4.928
101 HA GLN 15 HA GLN 15 1.783 -5.678 7.570
102 1HB GLN 15 HB2 GLN 15 4.029 -4.577 7.258
103 2HB GLN 15 HB1 GLN 15 3.294 -3.546 6.031
104 1HG GLN 15 HG2 GLN 15 2.192 -2.281 7.570
105 2HG GLN 15 HG1 GLN 15 1.803 -3.672 8.581
106 1HE2 GLN 15 HE22 GLN 15 4.624 -3.276 10.683
107 2HE2 GLN 15 HE21 GLN 15 3.301 -4.253 10.269
108 H LEU 16 HN LEU 16 1.607 -4.765 4.173
109 HA LEU 16 HA LEU 16 -0.543 -2.877 4.405
110 1HB LEU 16 HB2 LEU 16 0.739 -4.423 2.212
111 2HB LEU 16 HB1 LEU 16 -0.894 -3.831 1.907
112 HG LEU 16 HG LEU 16 1.363 -2.090 2.933
113 1HD1 LEU 16 HD11 LEU 16 1.668 -3.052 0.582
114 2HD1 LEU 16 HD13 LEU 16 0.232 -2.133 0.129
115 3HD1 LEU 16 HD12 LEU 16 1.670 -1.292 0.706
116 1HD2 LEU 16 HD22 LEU 16 -1.524 -1.726 2.335
117 2HD2 LEU 16 HD21 LEU 16 -0.490 -0.853 3.466
118 3HD2 LEU 16 HD23 LEU 16 -0.457 -0.448 1.750
119 H GLU 17 HN GLU 17 -0.521 -6.290 4.811
120 HA GLU 17 HA GLU 17 -3.058 -7.023 3.779
121 1HB GLU 17 HB2 GLU 17 -1.041 -8.222 5.376
122 2HB GLU 17 HB1 GLU 17 -2.544 -8.384 6.281
123 1HG GLU 17 HG2 GLU 17 -3.606 -9.244 4.131
124 2HG GLU 17 HG1 GLU 17 -1.976 -9.325 3.459
125 H ASN 18 HN ASN 18 -2.270 -5.002 6.491
126 HA ASN 18 HA ASN 18 -4.945 -5.348 7.709
127 1HB ASN 18 HB2 ASN 18 -2.497 -4.866 8.821
128 2HB ASN 18 HB1 ASN 18 -3.144 -3.228 8.727
129 1HD2 ASN 18 HD22 ASN 18 -4.779 -5.904 11.341
130 2HD2 ASN 18 HD21 ASN 18 -3.608 -6.405 10.217
131 H TYR 19 HN TYR 19 -4.594 -4.095 4.995
132 HA TYR 19 HA TYR 19 -5.660 -1.375 5.630
133 1HB TYR 19 HB2 TYR 19 -3.897 -2.400 3.451
134 2HB TYR 19 HB1 TYR 19 -5.037 -1.120 3.040
135 HD1 TYR 19 HD2 TYR 19 -2.677 -2.001 5.826
136 HD2 TYR 19 HD1 TYR 19 -4.304 1.077 3.308
137 HE1 TYR 19 HE2 TYR 19 -1.188 -0.335 6.901
138 HE2 TYR 19 HE1 TYR 19 -2.814 2.746 4.385
139 HH TYR 19 HH TYR 19 -1.619 2.819 6.849
140 H CYS 20 HN CYS 20 -6.893 -4.289 5.048
141 HA CYS 20 HA CYS 20 -8.799 -3.444 2.933
142 1HB CYS 20 HB2 CYS 20 -7.604 -5.938 3.615
143 2HB CYS 20 HB1 CYS 20 -9.331 -6.081 3.915
144 H ASN 21 HN ASN 21 -8.861 -2.273 5.616
145 HA ASN 21 HA ASN 21 -11.029 -3.502 7.108
146 1HB ASN 21 HB2 ASN 21 -9.148 -1.728 7.814
147 2HB ASN 21 HB1 ASN 21 -10.435 -0.592 7.404
148 1HD2 ASN 21 HD22 ASN 21 -10.642 -2.040 11.000
149 2HD2 ASN 21 HD21 ASN 21 -9.255 -1.632 10.110
150 1H PHE 1 HT2 PHE 1 7.005 -2.357 0.697
151 2H PHE 1 HT1 PHE 1 5.365 -2.317 1.137
152 3H PHE 1 HT3 PHE 1 6.413 -3.423 1.881
153 HA PHE 1 HA PHE 1 5.164 -4.648 0.314
154 1HB PHE 1 HB2 PHE 1 4.537 -2.523 -0.962
155 2HB PHE 1 HB1 PHE 1 6.071 -2.689 -1.811
156 HD1 PHE 1 HD2 PHE 1 6.496 -4.609 -3.287
157 HD2 PHE 1 HD1 PHE 1 2.711 -4.073 -1.343
158 HE1 PHE 1 HE2 PHE 1 5.484 -6.292 -4.795
159 HE2 PHE 1 HE1 PHE 1 1.696 -5.753 -2.846
160 HZ PHE 1 HZ PHE 1 3.082 -6.857 -4.566
161 H VAL 2 HN VAL 2 7.906 -3.065 -1.349
162 HA VAL 2 HA VAL 2 9.564 -5.482 -0.873
163 HB VAL 2 HB VAL 2 10.275 -5.430 -3.299
164 1HG1 VAL 2 HG13 VAL 2 7.628 -6.264 -2.291
165 2HG1 VAL 2 HG12 VAL 2 7.768 -6.176 -4.044
166 3HG1 VAL 2 HG11 VAL 2 8.868 -7.201 -3.121
167 1HG2 VAL 2 HG21 VAL 2 8.313 -3.210 -3.285
168 2HG2 VAL 2 HG23 VAL 2 9.708 -3.474 -4.329
169 3HG2 VAL 2 HG22 VAL 2 8.192 -4.314 -4.653
170 H ASN 3 HN ASN 3 11.766 -4.579 -2.485
171 HA ASN 3 HA ASN 3 13.082 -2.776 -0.776
172 1HB ASN 3 HB2 ASN 3 13.576 -2.990 -3.757
173 2HB ASN 3 HB1 ASN 3 14.733 -2.513 -2.513
174 1HD2 ASN 3 HD22 ASN 3 14.251 -6.420 -3.339
175 2HD2 ASN 3 HD21 ASN 3 13.567 -5.192 -4.290
176 H GLN 4 HN GLN 4 10.780 -2.110 -3.318
177 HA GLN 4 HA GLN 4 11.427 0.691 -3.657
178 1HB GLN 4 HB2 GLN 4 9.141 -1.100 -4.404
179 2HB GLN 4 HB1 GLN 4 8.901 0.646 -4.468
180 1HG GLN 4 HG2 GLN 4 11.373 -0.501 -5.710
181 2HG GLN 4 HG1 GLN 4 9.846 -0.666 -6.573
182 1HE2 GLN 4 HE22 GLN 4 11.214 2.546 -7.744
183 2HE2 GLN 4 HE21 GLN 4 11.533 0.890 -7.941
184 H HIS 5 HN HIS 5 10.475 2.478 -2.627
185 HA HIS 5 HA HIS 5 9.554 2.082 0.075
186 1HB HIS 5 HB2 HIS 5 9.923 4.419 -1.749
187 2HB HIS 5 HB1 HIS 5 8.884 4.635 -0.339
188 HD1 HIS 5 HD1 HIS 5 12.414 3.580 -1.241
189 HD2 HIS 5 HD2 HIS 5 10.248 4.820 2.095
190 HE1 HIS 5 HE1 HIS 5 14.092 3.891 0.628
191 H LEU 6 HN LEU 6 7.430 2.813 0.895
192 HA LEU 6 HA LEU 6 5.264 2.117 -1.037
193 1HB LEU 6 HB2 LEU 6 5.524 0.688 1.004
194 2HB LEU 6 HB1 LEU 6 5.193 2.108 1.994
195 HG LEU 6 HG LEU 6 3.032 2.351 0.635
196 1HD1 LEU 6 HD11 LEU 6 3.708 0.797 -1.178
197 2HD1 LEU 6 HD13 LEU 6 3.714 -0.531 -0.018
198 3HD1 LEU 6 HD12 LEU 6 2.204 0.289 -0.411
199 1HD2 LEU 6 HD21 LEU 6 3.298 1.426 3.004
200 2HD2 LEU 6 HD23 LEU 6 1.852 0.910 2.136
201 3HD2 LEU 6 HD22 LEU 6 3.231 -0.181 2.280
202 H CYS 7 HN CYS 7 4.733 4.130 -1.919
203 HA CYS 7 HA CYS 7 3.073 5.866 -0.374
204 1HB CYS 7 HB2 CYS 7 5.679 6.366 0.217
205 2HB CYS 7 HB1 CYS 7 5.463 7.436 -1.167
206 H GLY 8 HN GLY 8 2.652 7.991 -1.685
207 1HA GLY 8 HA2 GLY 8 1.946 8.947 -3.708
208 2HA GLY 8 HA1 GLY 8 3.336 8.155 -4.453
209 H SER 9 HN SER 9 2.024 7.619 -6.319
210 HA SER 9 HA SER 9 -0.412 6.114 -6.152
211 1HB SER 9 HB2 SER 9 -0.166 5.746 -8.495
212 2HB SER 9 HB1 SER 9 0.516 7.341 -8.192
213 HG SER 9 HG SER 9 1.747 4.965 -8.925
214 H HIS 10 HN HIS 10 2.925 5.201 -5.749
215 HA HIS 10 HA HIS 10 2.783 2.436 -6.429
216 1HB HIS 10 HB2 HIS 10 4.790 3.984 -5.654
217 2HB HIS 10 HB1 HIS 10 4.388 3.324 -4.068
218 HD1 HIS 10 HD1 HIS 10 5.988 2.463 -7.291
219 HD2 HIS 10 HD2 HIS 10 4.592 0.408 -3.942
220 HE1 HIS 10 HE1 HIS 10 6.945 0.123 -7.436
221 H LEU 11 HN LEU 11 1.826 4.220 -3.561
222 HA LEU 11 HA LEU 11 1.365 2.021 -1.800
223 1HB LEU 11 HB2 LEU 11 1.274 4.660 -1.444
224 2HB LEU 11 HB1 LEU 11 -0.433 4.400 -1.746
225 HG LEU 11 HG LEU 11 1.155 2.891 0.290
226 1HD1 LEU 11 HD13 LEU 11 0.588 5.481 0.555
227 2HD1 LEU 11 HD12 LEU 11 -0.980 4.829 1.029
228 3HD1 LEU 11 HD11 LEU 11 0.472 4.372 1.920
229 1HD2 LEU 11 HD22 LEU 11 -1.768 2.980 -0.447
230 2HD2 LEU 11 HD21 LEU 11 -0.701 1.575 -0.428
231 3HD2 LEU 11 HD23 LEU 11 -1.200 2.323 1.089
232 H VAL 12 HN VAL 12 -0.951 3.822 -3.846
233 HA VAL 12 HA VAL 12 -3.232 2.246 -3.385
234 HB VAL 12 HB VAL 12 -2.481 3.488 -6.044
235 1HG1 VAL 12 HG12 VAL 12 -5.101 2.809 -4.681
236 2HG1 VAL 12 HG11 VAL 12 -4.988 3.829 -6.117
237 3HG1 VAL 12 HG13 VAL 12 -4.476 2.142 -6.191
238 1HG2 VAL 12 HG22 VAL 12 -3.127 4.690 -3.415
239 2HG2 VAL 12 HG21 VAL 12 -2.291 5.393 -4.801
240 3HG2 VAL 12 HG23 VAL 12 -4.053 5.329 -4.772
241 H GLU 13 HN GLU 13 -0.827 1.816 -5.993
242 HA GLU 13 HA GLU 13 -2.010 -0.461 -7.191
243 1HB GLU 13 HB2 GLU 13 0.195 1.092 -7.696
244 2HB GLU 13 HB1 GLU 13 0.942 -0.419 -7.181
245 1HG GLU 13 HG2 GLU 13 0.654 -0.711 -9.502
246 2HG GLU 13 HG1 GLU 13 -0.730 -1.554 -8.808
247 H ALA 14 HN ALA 14 -0.043 -0.185 -4.292
248 HA ALA 14 HA ALA 14 0.532 -3.043 -4.173
249 1HB ALA 14 HB1 ALA 14 1.715 -0.883 -3.047
250 2HB ALA 14 HB3 ALA 14 0.732 -1.447 -1.693
251 3HB ALA 14 HB2 ALA 14 1.906 -2.533 -2.444
252 H LEU 15 HN LEU 15 -1.941 -0.887 -2.861
253 HA LEU 15 HA LEU 15 -2.982 -2.753 -0.919
254 1HB LEU 15 HB2 LEU 15 -4.559 -0.619 -2.393
255 2HB LEU 15 HB1 LEU 15 -4.939 -1.336 -0.827
256 HG LEU 15 HG LEU 15 -2.500 0.349 -1.438
257 1HD1 LEU 15 HD12 LEU 15 -5.093 0.921 -0.013
258 2HD1 LEU 15 HD11 LEU 15 -3.645 1.901 0.222
259 3HD1 LEU 15 HD13 LEU 15 -4.388 1.792 -1.374
260 1HD2 LEU 15 HD23 LEU 15 -3.441 -1.145 0.994
261 2HD2 LEU 15 HD22 LEU 15 -1.824 -1.089 0.286
262 3HD2 LEU 15 HD21 LEU 15 -2.452 0.306 1.168
263 H GLU 16 HN GLU 16 -3.700 -2.084 -4.326
264 HA GLU 16 HA GLU 16 -5.831 -4.045 -4.513
265 1HB GLU 16 HB2 GLU 16 -5.061 -2.028 -6.129
266 2HB GLU 16 HB1 GLU 16 -4.225 -3.359 -6.929
267 1HG GLU 16 HG2 GLU 16 -6.509 -4.602 -6.723
268 2HG GLU 16 HG1 GLU 16 -7.179 -2.990 -6.481
269 H LEU 17 HN LEU 17 -2.339 -4.070 -4.864
270 HA LEU 17 HA LEU 17 -2.040 -6.610 -6.141
271 1HB LEU 17 HB2 LEU 17 -0.367 -4.602 -4.961
272 2HB LEU 17 HB1 LEU 17 0.115 -6.161 -4.300
273 HG LEU 17 HG LEU 17 0.329 -7.063 -6.591
274 1HD1 LEU 17 HD13 LEU 17 -0.875 -4.422 -7.240
275 2HD1 LEU 17 HD12 LEU 17 0.389 -4.990 -8.329
276 3HD1 LEU 17 HD11 LEU 17 -1.052 -5.971 -8.064
277 1HD2 LEU 17 HD23 LEU 17 1.948 -4.962 -5.413
278 2HD2 LEU 17 HD22 LEU 17 2.464 -6.366 -6.350
279 3HD2 LEU 17 HD21 LEU 17 2.033 -4.871 -7.174
280 H VAL 18 HN VAL 18 -2.500 -5.656 -2.770
281 HA VAL 18 HA VAL 18 -2.109 -8.398 -1.788
282 HB VAL 18 HB VAL 18 -3.121 -5.929 -0.338
283 1HG1 VAL 18 HG11 VAL 18 -3.490 -8.387 0.559
284 2HG1 VAL 18 HG13 VAL 18 -1.775 -8.278 0.956
285 3HG1 VAL 18 HG12 VAL 18 -2.916 -7.126 1.648
286 1HG2 VAL 18 HG23 VAL 18 -0.418 -6.899 -1.091
287 2HG2 VAL 18 HG22 VAL 18 -0.972 -5.258 -0.749
288 3HG2 VAL 18 HG21 VAL 18 -0.598 -6.359 0.578
289 H CYS 19 HN CYS 19 -4.860 -6.166 -1.214
290 HA CYS 19 HA CYS 19 -6.734 -8.313 -0.890
291 1HB CYS 19 HB2 CYS 19 -7.155 -5.370 -1.502
292 2HB CYS 19 HB1 CYS 19 -8.453 -6.493 -1.098
293 H GLY 20 HN GLY 20 -7.220 -5.843 -3.421
294 1HA GLY 20 HA2 GLY 20 -7.126 -6.282 -5.805
295 2HA GLY 20 HA1 GLY 20 -7.246 -8.003 -5.460
296 H GLU 21 HN GLU 21 -9.448 -5.816 -3.806
297 HA GLU 21 HA GLU 21 -11.672 -7.092 -5.290
298 1HB GLU 21 HB2 GLU 21 -13.122 -5.956 -3.623
299 2HB GLU 21 HB1 GLU 21 -11.892 -6.959 -2.856
300 1HG GLU 21 HG2 GLU 21 -11.054 -4.172 -3.370
301 2HG GLU 21 HG1 GLU 21 -12.376 -4.341 -2.215
302 H ARG 22 HN ARG 22 -13.608 -5.231 -5.431
303 HA ARG 22 HA ARG 22 -12.499 -3.308 -7.391
304 1HB ARG 22 HB2 ARG 22 -15.385 -3.961 -6.713
305 2HB ARG 22 HB1 ARG 22 -14.835 -2.976 -8.070
306 1HG ARG 22 HG2 ARG 22 -13.520 -4.971 -8.879
307 2HG ARG 22 HG1 ARG 22 -14.309 -5.926 -7.624
308 1HD ARG 22 HD2 ARG 22 -16.163 -4.330 -9.260
309 2HD ARG 22 HD1 ARG 22 -15.293 -5.556 -10.174
310 HE ARG 22 HE ARG 22 -17.478 -6.012 -8.382
311 1HH1 ARG 22 HH21 ARG 22 -14.356 -7.366 -9.143
312 2HH1 ARG 22 HH22 ARG 22 -14.695 -8.856 -8.337
313 1HH2 ARG 22 HH11 ARG 22 -17.888 -7.954 -7.365
314 2HH2 ARG 22 HH12 ARG 22 -16.676 -9.193 -7.346
315 H GLY 23 HN GLY 23 -11.714 -2.566 -4.903
316 1HA GLY 23 HA2 GLY 23 -11.738 -0.212 -4.116
317 2HA GLY 23 HA1 GLY 23 -13.493 -0.240 -4.296
318 H GLY 24 HN GLY 24 -10.870 -1.881 -2.512
319 1HA GLY 24 HA2 GLY 24 -12.670 -1.938 -0.132
320 2HA GLY 24 HA1 GLY 24 -11.793 -3.394 -0.604
321 H PHE 25 HN PHE 25 -10.515 -0.106 -0.814
322 HA PHE 25 HA PHE 25 -8.998 -0.268 1.652
323 1HB PHE 25 HB2 PHE 25 -6.751 -0.412 0.552
324 2HB PHE 25 HB1 PHE 25 -7.691 -1.895 0.394
325 HD1 PHE 25 HD2 PHE 25 -6.593 1.181 -1.381
326 HD2 PHE 25 HD1 PHE 25 -8.440 -2.682 -1.738
327 HE1 PHE 25 HE2 PHE 25 -6.429 1.332 -3.850
328 HE2 PHE 25 HE1 PHE 25 -8.276 -2.530 -4.207
329 HZ PHE 25 HZ PHE 25 -7.272 -0.524 -5.264
330 H TYR 26 HN TYR 26 -6.964 1.448 1.198
331 HA TYR 26 HA TYR 26 -8.191 3.996 0.980
332 1HB TYR 26 HB2 TYR 26 -6.121 3.862 2.143
333 2HB TYR 26 HB1 TYR 26 -5.326 3.039 0.811
334 HD1 TYR 26 HD2 TYR 26 -7.454 6.125 0.732
335 HD2 TYR 26 HD1 TYR 26 -3.532 4.440 0.238
336 HE1 TYR 26 HE2 TYR 26 -6.627 8.301 -0.128
337 HE2 TYR 26 HE1 TYR 26 -2.706 6.615 -0.624
338 HH TYR 26 HH TYR 26 -3.655 8.636 -1.713
339 H THR 27 HN THR 27 -9.360 4.328 -0.907
340 HA THR 27 HA THR 27 -7.859 4.129 -3.485
341 HB THR 27 HB THR 27 -10.299 4.197 -4.423
342 HG1 THR 27 HG1 THR 27 -11.671 4.379 -2.852
343 1HG2 THR 27 HG22 THR 27 -8.531 2.202 -4.006
344 2HG2 THR 27 HG21 THR 27 -9.844 1.647 -2.969
345 3HG2 THR 27 HG23 THR 27 -10.135 1.928 -4.686
346 HA PRO 28 HA PRO 28 -8.280 8.654 -2.722
347 1HB PRO 28 HB2 PRO 28 -6.330 9.043 -4.810
348 2HB PRO 28 HB1 PRO 28 -6.143 9.322 -3.073
349 1HG PRO 28 HG2 PRO 28 -5.009 7.201 -4.645
350 2HG PRO 28 HG1 PRO 28 -4.836 7.477 -2.907
351 1HD PRO 28 HD2 PRO 28 -6.361 5.425 -4.218
352 2HD PRO 28 HD1 PRO 28 -6.196 5.715 -2.477
353 H LYS 29 HN LYS 29 -8.195 10.397 -4.779
354 HA LYS 29 HA LYS 29 -10.583 9.871 -6.263
355 1HB LYS 29 HB2 LYS 29 -9.924 11.909 -7.568
356 2HB LYS 29 HB1 LYS 29 -9.886 12.155 -5.823
357 1HG LYS 29 HG2 LYS 29 -7.772 12.906 -6.119
358 2HG LYS 29 HG1 LYS 29 -7.327 11.220 -6.373
359 1HD LYS 29 HD2 LYS 29 -7.235 11.445 -8.673
360 2HD LYS 29 HD1 LYS 29 -8.426 12.746 -8.699
361 1HE LYS 29 HE2 LYS 29 -6.773 14.286 -7.709
362 2HE LYS 29 HE1 LYS 29 -5.579 12.989 -7.683
363 1HZ LYS 29 HZ2 LYS 29 -5.826 12.812 -10.107
364 2HZ LYS 29 HZ1 LYS 29 -6.879 14.146 -10.088
365 3HZ LYS 29 HZ3 LYS 29 -5.259 14.340 -9.624
No H/Q in entry = 365