Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
1227 | 1adx RC | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name
Start of MODEL 1
1 1H GLN 1 HT3 GLN 1 -1.455 7.485 -6.525
2 2H GLN 1 HT2 GLN 1 -0.842 6.618 -7.851
3 3H GLN 1 HT1 GLN 1 -1.878 7.940 -8.104
4 HA GLN 1 HA GLN 1 -3.733 6.793 -7.219
5 1HB GLN 1 HB2 GLN 1 -2.115 5.683 -9.376
6 2HB GLN 1 HB1 GLN 1 -3.116 4.449 -8.609
7 1HG GLN 1 HG2 GLN 1 -5.092 5.965 -8.859
8 2HG GLN 1 HG1 GLN 1 -4.069 7.091 -9.752
9 1HE2 GLN 1 HE22 GLN 1 -5.221 5.312 -12.615
10 2HE2 GLN 1 HE21 GLN 1 -5.368 6.747 -11.721
11 H MET 2 HN MET 2 -1.098 4.363 -7.285
12 HA MET 2 HA MET 2 -2.213 3.293 -4.726
13 1HB MET 2 HB2 MET 2 -0.333 1.823 -6.579
14 2HB MET 2 HB1 MET 2 -1.405 1.151 -5.349
15 1HG MET 2 HG2 MET 2 -3.357 1.660 -6.642
16 2HG MET 2 HG1 MET 2 -2.431 2.650 -7.769
17 1HE MET 2 HE2 MET 2 -4.409 0.834 -8.459
18 2HE MET 2 HE1 MET 2 -3.555 0.777 -9.999
19 3HE MET 2 HE3 MET 2 -3.999 -0.724 -9.174
20 H PHE 3 HN PHE 3 -1.002 3.756 -2.961
21 HA PHE 3 HA PHE 3 1.809 3.332 -2.768
22 1HB PHE 3 HB2 PHE 3 1.080 5.814 -4.014
23 2HB PHE 3 HB1 PHE 3 1.784 6.163 -2.435
24 HD1 PHE 3 HD2 PHE 3 3.993 4.926 -1.833
25 HD2 PHE 3 HD1 PHE 3 2.475 5.302 -5.834
26 HE1 PHE 3 HE2 PHE 3 6.253 4.450 -2.737
27 HE2 PHE 3 HE1 PHE 3 4.735 4.825 -6.737
28 HZ PHE 3 HZ PHE 3 6.624 4.398 -5.188
29 H CYS 4 HN CYS 4 -0.787 3.095 -1.270
30 HA CYS 4 HA CYS 4 -1.687 3.566 0.850
31 1HB CYS 4 HB2 CYS 4 1.073 2.621 1.096
32 2HB CYS 4 HB1 CYS 4 0.581 3.587 2.494
33 H ASN 5 HN ASN 5 -0.452 4.998 3.058
34 HA ASN 5 HA ASN 5 0.253 7.644 2.065
35 1HB ASN 5 HB2 ASN 5 -1.827 8.563 3.420
36 2HB ASN 5 HB1 ASN 5 -2.011 8.070 1.734
37 1HD2 ASN 5 HD22 ASN 5 -4.197 6.197 4.496
38 2HD2 ASN 5 HD21 ASN 5 -3.417 7.694 4.746
39 H GLN 6 HN GLN 6 1.272 8.784 3.621
40 HA GLN 6 HA GLN 6 1.973 9.458 5.787
41 1HB GLN 6 HB2 GLN 6 -0.261 8.516 6.616
42 2HB GLN 6 HB1 GLN 6 0.603 7.005 6.908
43 1HG GLN 6 HG2 GLN 6 1.461 7.812 8.821
44 2HG GLN 6 HG1 GLN 6 2.135 9.200 7.968
45 1HE2 GLN 6 HE22 GLN 6 -1.741 9.722 9.250
46 2HE2 GLN 6 HE21 GLN 6 -1.311 8.271 8.464
47 H THR 7 HN THR 7 3.472 7.935 3.958
48 HA THR 7 HA THR 7 5.623 6.953 4.050
49 HB THR 7 HB THR 7 5.189 6.038 6.873
50 HG1 THR 7 HG1 THR 7 5.911 8.673 6.122
51 1HG2 THR 7 HG22 THR 7 7.286 5.801 5.225
52 2HG2 THR 7 HG21 THR 7 7.636 7.409 5.861
53 3HG2 THR 7 HG23 THR 7 7.489 6.038 6.961
54 H ALA 8 HN ALA 8 2.940 5.256 5.671
55 HA ALA 8 HA ALA 8 3.051 3.059 3.841
56 1HB ALA 8 HB1 ALA 8 4.283 2.603 6.576
57 2HB ALA 8 HB3 ALA 8 3.845 1.320 5.450
58 3HB ALA 8 HB2 ALA 8 5.104 2.477 5.021
59 H CYS 9 HN CYS 9 1.039 2.136 3.898
60 HA CYS 9 HA CYS 9 -0.515 2.269 6.452
61 1HB CYS 9 HB2 CYS 9 -2.306 3.364 5.498
62 2HB CYS 9 HB1 CYS 9 -1.002 4.083 4.562
63 HA PRO 10 HA PRO 10 -1.852 -1.742 5.658
64 1HB PRO 10 HB2 PRO 10 -4.701 -1.226 5.778
65 2HB PRO 10 HB1 PRO 10 -3.667 -2.007 6.984
66 1HG PRO 10 HG2 PRO 10 -4.791 0.618 7.116
67 2HG PRO 10 HG1 PRO 10 -3.661 -0.126 8.259
68 1HD PRO 10 HD2 PRO 10 -3.149 1.996 6.393
69 2HD PRO 10 HD1 PRO 10 -2.017 1.250 7.540
70 H ALA 11 HN ALA 11 -4.171 -2.701 4.415
71 HA ALA 11 HA ALA 11 -3.927 -1.533 1.679
72 1HB ALA 11 HB3 ALA 11 -3.101 -4.103 2.541
73 2HB ALA 11 HB2 ALA 11 -4.541 -4.336 1.551
74 3HB ALA 11 HB1 ALA 11 -3.146 -3.484 0.893
75 H ASP 12 HN ASP 12 -5.982 -0.943 3.612
76 HA ASP 12 HA ASP 12 -8.351 -2.484 3.214
77 1HB ASP 12 HB2 ASP 12 -8.349 0.518 3.566
78 2HB ASP 12 HB1 ASP 12 -9.523 -0.657 4.170
79 H CYS 13 HN CYS 13 -8.463 -3.009 0.975
80 HA CYS 13 HA CYS 13 -8.249 -1.146 -1.161
81 1HB CYS 13 HB2 CYS 13 -10.154 -3.478 -1.285
82 2HB CYS 13 HB1 CYS 13 -9.129 -2.819 -2.561
83 H ASP 14 HN ASP 14 -9.390 0.761 -0.571
84 HA ASP 14 HA ASP 14 -12.195 0.699 0.159
85 1HB ASP 14 HB2 ASP 14 -10.234 2.848 -0.607
86 2HB ASP 14 HB1 ASP 14 -11.957 3.225 -0.496
87 HA PRO 15 HA PRO 15 -13.673 0.180 -3.941
88 1HB PRO 15 HB2 PRO 15 -16.292 1.131 -3.241
89 2HB PRO 15 HB1 PRO 15 -15.773 -0.543 -3.478
90 1HG PRO 15 HG2 PRO 15 -16.415 0.768 -0.994
91 2HG PRO 15 HG1 PRO 15 -15.904 -0.907 -1.238
92 1HD PRO 15 HD2 PRO 15 -14.378 1.250 -0.102
93 2HD PRO 15 HD1 PRO 15 -13.865 -0.427 -0.364
94 H ASN 16 HN ASN 16 -13.623 3.096 -2.141
95 HA ASN 16 HA ASN 16 -14.509 4.707 -4.481
96 1HB ASN 16 HB2 ASN 16 -13.801 5.632 -1.681
97 2HB ASN 16 HB1 ASN 16 -14.586 6.587 -2.940
98 1HD2 ASN 16 HD22 ASN 16 -17.795 5.410 -2.109
99 2HD2 ASN 16 HD21 ASN 16 -16.841 6.570 -2.916
100 H THR 17 HN THR 17 -11.686 3.837 -2.621
101 HA THR 17 HA THR 17 -10.044 5.466 -4.506
102 HB THR 17 HB THR 17 -9.983 6.738 -2.478
103 HG1 THR 17 HG1 THR 17 -7.878 6.772 -2.324
104 1HG2 THR 17 HG22 THR 17 -10.850 4.652 -1.158
105 2HG2 THR 17 HG21 THR 17 -9.137 4.343 -0.877
106 3HG2 THR 17 HG23 THR 17 -9.863 5.852 -0.322
107 H GLN 18 HN GLN 18 -10.671 2.728 -4.763
108 HA GLN 18 HA GLN 18 -9.054 0.781 -3.675
109 1HB GLN 18 HB2 GLN 18 -10.595 0.182 -5.414
110 2HB GLN 18 HB1 GLN 18 -9.786 1.229 -6.580
111 1HG GLN 18 HG2 GLN 18 -9.135 -1.094 -6.980
112 2HG GLN 18 HG1 GLN 18 -7.744 -0.188 -6.383
113 1HE2 GLN 18 HE22 GLN 18 -7.660 -1.887 -3.234
114 2HE2 GLN 18 HE21 GLN 18 -7.199 -0.459 -4.041
115 H ALA 19 HN ALA 19 -6.974 1.448 -3.033
116 HA ALA 19 HA ALA 19 -4.889 1.294 -4.996
117 1HB ALA 19 HB1 ALA 19 -6.067 3.879 -4.701
118 2HB ALA 19 HB3 ALA 19 -4.453 3.933 -3.992
119 3HB ALA 19 HB2 ALA 19 -4.662 3.426 -5.668
120 H SER 20 HN SER 20 -5.652 0.351 -2.257
121 HA SER 20 HA SER 20 -3.190 1.272 -0.860
122 1HB SER 20 HB2 SER 20 -5.500 1.855 0.173
123 2HB SER 20 HB1 SER 20 -5.571 0.146 0.590
124 HG SER 20 HG SER 20 -4.570 1.052 2.291
125 H CYS 21 HN CYS 21 -4.793 -1.316 -2.228
126 HA CYS 21 HA CYS 21 -2.890 -3.180 -0.911
127 1HB CYS 21 HB2 CYS 21 -4.566 -4.995 -1.165
128 2HB CYS 21 HB1 CYS 21 -5.132 -3.701 -0.103
129 H GLU 22 HN GLU 22 -3.772 -1.752 -3.724
130 HA GLU 22 HA GLU 22 -3.003 -3.994 -5.467
131 1HB GLU 22 HB2 GLU 22 -3.466 -1.115 -6.274
132 2HB GLU 22 HB1 GLU 22 -3.495 -2.535 -7.321
133 1HG GLU 22 HG2 GLU 22 -5.352 -3.150 -5.347
134 2HG GLU 22 HG1 GLU 22 -5.616 -1.431 -5.640
135 H CYS 23 HN CYS 23 -1.671 -1.499 -3.747
136 HA CYS 23 HA CYS 23 0.411 -0.565 -3.539
137 1HB CYS 23 HB2 CYS 23 0.853 -3.389 -4.392
138 2HB CYS 23 HB1 CYS 23 2.244 -2.318 -4.196
139 HA PRO 24 HA PRO 24 1.690 1.504 -7.102
140 1HB PRO 24 HB2 PRO 24 4.455 1.228 -6.016
141 2HB PRO 24 HB1 PRO 24 3.575 2.693 -6.494
142 1HG PRO 24 HG2 PRO 24 3.966 1.908 -3.867
143 2HG PRO 24 HG1 PRO 24 2.663 2.971 -4.404
144 1HD PRO 24 HD2 PRO 24 2.458 0.237 -3.417
145 2HD PRO 24 HD1 PRO 24 1.157 1.388 -3.780
146 H GLU 25 HN GLU 25 4.073 1.207 -8.500
147 HA GLU 25 HA GLU 25 3.649 -1.109 -10.045
148 1HB GLU 25 HB2 GLU 25 5.636 0.992 -9.903
149 2HB GLU 25 HB1 GLU 25 6.404 -0.561 -10.237
150 1HG GLU 25 HG2 GLU 25 4.225 -0.699 -11.877
151 2HG GLU 25 HG1 GLU 25 4.565 1.031 -11.917
152 H GLY 26 HN GLY 26 3.400 -2.908 -8.651
153 1HA GLY 26 HA2 GLY 26 4.137 -4.788 -7.464
154 2HA GLY 26 HA1 GLY 26 5.720 -4.473 -8.185
155 H TYR 27 HN TYR 27 4.111 -2.087 -6.165
156 HA TYR 27 HA TYR 27 6.268 -1.514 -4.524
157 1HB TYR 27 HB2 TYR 27 3.670 -0.700 -4.565
158 2HB TYR 27 HB1 TYR 27 3.699 -1.630 -3.064
159 HD1 TYR 27 HD1 TYR 27 6.542 0.265 -4.584
160 HD2 TYR 27 HD2 TYR 27 3.627 0.101 -1.430
161 HE1 TYR 27 HE1 TYR 27 7.671 2.146 -3.440
162 HE2 TYR 27 HE2 TYR 27 4.758 1.990 -0.296
163 HH TYR 27 HH TYR 27 6.885 3.074 -0.211
164 H ILE 28 HN ILE 28 3.843 -4.063 -4.081
165 HA ILE 28 HA ILE 28 4.076 -6.133 -3.006
166 HB ILE 28 HB ILE 28 6.748 -5.286 -3.357
167 1HG1 ILE 28 HG12 ILE 28 6.980 -7.867 -2.572
168 2HG1 ILE 28 HG11 ILE 28 5.239 -7.788 -2.867
169 1HG2 ILE 28 HG22 ILE 28 6.256 -6.288 -0.536
170 2HG2 ILE 28 HG21 ILE 28 7.839 -6.203 -1.309
171 3HG2 ILE 28 HG23 ILE 28 6.934 -4.724 -0.988
172 1HD1 ILE 28 HD13 ILE 28 7.046 -6.561 -4.905
173 2HD1 ILE 28 HD12 ILE 28 6.963 -8.322 -4.839
174 3HD1 ILE 28 HD11 ILE 28 5.499 -7.380 -5.123
175 H LEU 29 HN LEU 29 2.768 -6.318 -1.268
176 HA LEU 29 HA LEU 29 2.366 -4.379 0.727
177 1HB LEU 29 HB2 LEU 29 1.637 -7.189 0.300
178 2HB LEU 29 HB1 LEU 29 1.781 -6.762 2.009
179 HG LEU 29 HG LEU 29 0.227 -5.098 0.024
180 1HD1 LEU 29 HD13 LEU 29 -0.677 -7.452 0.277
181 2HD1 LEU 29 HD12 LEU 29 -0.890 -7.112 1.995
182 3HD1 LEU 29 HD11 LEU 29 -1.788 -6.184 0.793
183 1HD2 LEU 29 HD21 LEU 29 0.796 -5.049 2.942
184 2HD2 LEU 29 HD23 LEU 29 0.464 -3.712 1.840
185 3HD2 LEU 29 HD22 LEU 29 -0.865 -4.683 2.474
186 H ASP 30 HN ASP 30 2.630 -5.602 3.202
187 HA ASP 30 HA ASP 30 5.572 -6.061 3.469
188 1HB ASP 30 HB2 ASP 30 4.415 -3.705 4.184
189 2HB ASP 30 HB1 ASP 30 4.232 -4.617 5.683
190 H ASP 31 HN ASP 31 5.500 -6.335 6.305
191 HA ASP 31 HA ASP 31 4.394 -9.039 6.483
192 1HB ASP 31 HB2 ASP 31 5.464 -9.122 8.655
193 2HB ASP 31 HB1 ASP 31 6.582 -8.354 7.527
194 H GLY 32 HN GLY 32 3.054 -6.015 6.837
195 1HA GLY 32 HA2 GLY 32 0.968 -7.109 8.672
196 2HA GLY 32 HA1 GLY 32 1.561 -5.459 8.866
197 H PHE 33 HN PHE 33 0.812 -7.248 5.890
198 HA PHE 33 HA PHE 33 -0.461 -6.518 4.053
199 1HB PHE 33 HB2 PHE 33 -2.309 -5.996 6.398
200 2HB PHE 33 HB1 PHE 33 -2.823 -5.910 4.710
201 HD1 PHE 33 HD1 PHE 33 -1.434 -8.163 7.322
202 HD2 PHE 33 HD2 PHE 33 -3.212 -7.885 3.422
203 HE1 PHE 33 HE1 PHE 33 -1.727 -10.625 7.280
204 HE2 PHE 33 HE2 PHE 33 -3.505 -10.347 3.380
205 HZ PHE 33 HZ PHE 33 -2.762 -11.718 5.309
206 H ILE 34 HN ILE 34 1.324 -4.503 5.415
207 HA ILE 34 HA ILE 34 -0.187 -1.998 4.875
208 HB ILE 34 HB ILE 34 2.650 -2.324 5.898
209 1HG1 ILE 34 HG12 ILE 34 1.093 -3.222 7.543
210 2HG1 ILE 34 HG11 ILE 34 1.649 -1.638 8.095
211 1HG2 ILE 34 HG23 ILE 34 1.710 -0.160 4.672
212 2HG2 ILE 34 HG22 ILE 34 0.954 0.132 6.238
213 3HG2 ILE 34 HG21 ILE 34 2.707 -0.004 6.117
214 1HD1 ILE 34 HD12 ILE 34 -0.497 -0.901 6.624
215 2HD1 ILE 34 HD11 ILE 34 -1.037 -2.484 7.174
216 3HD1 ILE 34 HD13 ILE 34 -0.586 -1.248 8.348
217 H CYS 35 HN CYS 35 -0.116 -1.378 2.760
218 HA CYS 35 HA CYS 35 1.949 -2.360 0.969
219 1HB CYS 35 HB2 CYS 35 -0.337 -1.672 0.180
220 2HB CYS 35 HB1 CYS 35 0.106 0.008 0.515
221 H THR 36 HN THR 36 4.000 -1.735 1.596
222 HA THR 36 HA THR 36 4.697 1.085 1.272
223 HB THR 36 HB THR 36 4.072 1.408 3.474
224 HG1 THR 36 HG1 THR 36 6.172 0.873 4.715
225 1HG2 THR 36 HG23 THR 36 4.964 -1.441 3.902
226 2HG2 THR 36 HG22 THR 36 4.566 -0.369 5.244
227 3HG2 THR 36 HG21 THR 36 3.338 -0.779 4.047
228 H ASP 37 HN ASP 37 7.175 1.281 2.079
229 HA ASP 37 HA ASP 37 8.754 -1.140 1.918
230 1HB ASP 37 HB2 ASP 37 7.858 -0.584 -0.507
231 2HB ASP 37 HB1 ASP 37 9.149 0.617 -0.479
232 H ILE 38 HN ILE 38 10.548 -0.647 3.073
233 HA ILE 38 HA ILE 38 11.698 2.093 2.807
234 HB ILE 38 HB ILE 38 11.966 2.311 5.178
235 1HG1 ILE 38 HG12 ILE 38 10.851 -0.506 5.407
236 2HG1 ILE 38 HG11 ILE 38 12.558 -0.079 5.581
237 1HG2 ILE 38 HG21 ILE 38 9.635 2.648 4.151
238 2HG2 ILE 38 HG23 ILE 38 9.217 1.093 4.871
239 3HG2 ILE 38 HG22 ILE 38 9.703 2.440 5.901
240 1HD1 ILE 38 HD12 ILE 38 10.721 1.529 7.239
241 2HD1 ILE 38 HD11 ILE 38 10.777 -0.183 7.660
242 3HD1 ILE 38 HD13 ILE 38 12.258 0.775 7.666
243 H ASP 39 HN ASP 39 12.171 -1.287 3.780
244 HA ASP 39 HA ASP 39 14.820 -1.328 2.601
245 1HB ASP 39 HB2 ASP 39 14.507 -0.879 5.521
246 2HB ASP 39 HB1 ASP 39 15.693 -2.099 5.044
247 H GLU 40 HN GLU 40 14.043 -3.160 5.500
248 HA GLU 40 HA GLU 40 13.770 -5.582 3.778
249 1HB GLU 40 HB2 GLU 40 15.560 -5.327 5.677
250 2HB GLU 40 HB1 GLU 40 14.203 -5.663 6.753
251 1HG GLU 40 HG2 GLU 40 13.726 -7.696 5.263
252 2HG GLU 40 HG1 GLU 40 15.322 -7.421 4.565
No H/Q in entry = 252
Start of MODEL 2
1 1H GLN 1 HT1 GLN 1 0.069 2.556 -8.089
2 2H GLN 1 HT3 GLN 1 -1.045 3.115 -9.240
3 3H GLN 1 HT2 GLN 1 0.615 3.097 -9.604
4 HA GLN 1 HA GLN 1 1.068 4.956 -8.418
5 1HB GLN 1 HB2 GLN 1 -1.241 5.070 -9.972
6 2HB GLN 1 HB1 GLN 1 -1.712 5.851 -8.461
7 1HG GLN 1 HG2 GLN 1 0.165 7.384 -8.603
8 2HG GLN 1 HG1 GLN 1 0.798 6.539 -10.017
9 1HE2 GLN 1 HE22 GLN 1 -1.132 9.474 -11.266
10 2HE2 GLN 1 HE21 GLN 1 0.254 9.257 -10.311
11 H MET 2 HN MET 2 0.826 6.197 -6.459
12 HA MET 2 HA MET 2 0.385 6.441 -4.170
13 1HB MET 2 HB2 MET 2 -2.130 5.713 -5.413
14 2HB MET 2 HB1 MET 2 -2.029 5.044 -3.784
15 1HG MET 2 HG2 MET 2 -1.400 7.283 -2.920
16 2HG MET 2 HG1 MET 2 -1.566 7.943 -4.547
17 1HE MET 2 HE3 MET 2 -2.722 9.391 -2.709
18 2HE MET 2 HE2 MET 2 -3.752 9.734 -4.096
19 3HE MET 2 HE1 MET 2 -4.482 9.387 -2.530
20 H PHE 3 HN PHE 3 1.496 5.277 -2.693
21 HA PHE 3 HA PHE 3 1.259 2.298 -2.778
22 1HB PHE 3 HB2 PHE 3 3.490 3.204 -1.192
23 2HB PHE 3 HB1 PHE 3 3.509 2.214 -2.647
24 HD1 PHE 3 HD2 PHE 3 3.622 5.677 -1.346
25 HD2 PHE 3 HD1 PHE 3 3.983 3.171 -4.815
26 HE1 PHE 3 HE2 PHE 3 4.571 7.580 -2.622
27 HE2 PHE 3 HE1 PHE 3 4.932 5.074 -6.091
28 HZ PHE 3 HZ PHE 3 5.226 7.278 -4.995
29 H CYS 4 HN CYS 4 -0.630 2.315 -1.332
30 HA CYS 4 HA CYS 4 -1.564 2.143 0.814
31 1HB CYS 4 HB2 CYS 4 0.045 1.049 2.004
32 2HB CYS 4 HB1 CYS 4 1.348 1.970 1.260
33 H ASN 5 HN ASN 5 -2.073 3.608 2.698
34 HA ASN 5 HA ASN 5 -2.269 6.350 1.782
35 1HB ASN 5 HB2 ASN 5 -3.456 4.706 3.837
36 2HB ASN 5 HB1 ASN 5 -2.908 6.235 4.533
37 1HD2 ASN 5 HD22 ASN 5 -5.766 7.853 3.272
38 2HD2 ASN 5 HD21 ASN 5 -4.682 7.624 4.569
39 H GLN 6 HN GLN 6 -0.058 6.979 1.608
40 HA GLN 6 HA GLN 6 1.652 8.369 2.498
41 1HB GLN 6 HB2 GLN 6 -0.040 8.492 4.551
42 2HB GLN 6 HB1 GLN 6 1.165 7.440 5.294
43 1HG GLN 6 HG2 GLN 6 2.697 9.105 5.452
44 2HG GLN 6 HG1 GLN 6 2.312 9.732 3.848
45 1HE2 GLN 6 HE22 GLN 6 -0.331 10.934 6.758
46 2HE2 GLN 6 HE21 GLN 6 0.087 9.285 6.631
47 H THR 7 HN THR 7 3.483 7.404 1.866
48 HA THR 7 HA THR 7 5.090 5.674 1.594
49 HB THR 7 HB THR 7 5.163 6.485 4.508
50 HG1 THR 7 HG1 THR 7 6.754 7.860 3.762
51 1HG2 THR 7 HG21 THR 7 6.963 4.714 2.877
52 2HG2 THR 7 HG23 THR 7 7.631 5.694 4.182
53 3HG2 THR 7 HG22 THR 7 6.389 4.491 4.530
54 H ALA 8 HN ALA 8 4.420 4.790 4.909
55 HA ALA 8 HA ALA 8 3.402 2.153 3.932
56 1HB ALA 8 HB3 ALA 8 5.823 2.235 4.863
57 2HB ALA 8 HB2 ALA 8 5.053 2.433 6.437
58 3HB ALA 8 HB1 ALA 8 4.741 0.986 5.478
59 H CYS 9 HN CYS 9 1.819 1.160 5.221
60 HA CYS 9 HA CYS 9 0.860 2.426 7.701
61 1HB CYS 9 HB2 CYS 9 -1.364 3.017 6.698
62 2HB CYS 9 HB1 CYS 9 -0.046 3.916 5.968
63 HA PRO 10 HA PRO 10 -0.748 -1.746 7.017
64 1HB PRO 10 HB2 PRO 10 -3.435 -1.581 7.946
65 2HB PRO 10 HB1 PRO 10 -1.970 -1.744 8.929
66 1HG PRO 10 HG2 PRO 10 -3.646 0.555 8.708
67 2HG PRO 10 HG1 PRO 10 -2.118 0.417 9.590
68 1HD PRO 10 HD2 PRO 10 -2.669 1.725 7.055
69 2HD PRO 10 HD1 PRO 10 -1.253 1.852 8.114
70 H ALA 11 HN ALA 11 -1.980 0.051 4.745
71 HA ALA 11 HA ALA 11 -3.015 -0.408 2.705
72 1HB ALA 11 HB1 ALA 11 -2.021 -2.942 3.648
73 2HB ALA 11 HB3 ALA 11 -3.574 -3.186 2.848
74 3HB ALA 11 HB2 ALA 11 -2.251 -2.402 1.985
75 H ASP 12 HN ASP 12 -4.995 0.582 2.954
76 HA ASP 12 HA ASP 12 -7.210 -1.155 3.960
77 1HB ASP 12 HB2 ASP 12 -6.677 1.769 4.516
78 2HB ASP 12 HB1 ASP 12 -8.289 1.066 4.689
79 H CYS 13 HN CYS 13 -7.613 -1.703 1.722
80 HA CYS 13 HA CYS 13 -8.019 0.267 -0.324
81 1HB CYS 13 HB2 CYS 13 -8.917 -2.604 -0.013
82 2HB CYS 13 HB1 CYS 13 -9.336 -1.641 -1.433
83 H ASP 14 HN ASP 14 -10.106 0.900 -1.268
84 HA ASP 14 HA ASP 14 -12.449 0.600 0.534
85 1HB ASP 14 HB2 ASP 14 -10.862 2.974 0.344
86 2HB ASP 14 HB1 ASP 14 -12.428 3.296 -0.410
87 HA PRO 15 HA PRO 15 -14.548 0.895 -3.301
88 1HB PRO 15 HB2 PRO 15 -16.589 2.824 -2.702
89 2HB PRO 15 HB1 PRO 15 -16.694 1.062 -2.590
90 1HG PRO 15 HG2 PRO 15 -16.563 2.956 -0.427
91 2HG PRO 15 HG1 PRO 15 -16.663 1.193 -0.322
92 1HD PRO 15 HD2 PRO 15 -14.385 2.869 0.226
93 2HD PRO 15 HD1 PRO 15 -14.494 1.103 0.342
94 H ASN 16 HN ASN 16 -13.875 4.148 -2.084
95 HA ASN 16 HA ASN 16 -13.692 5.073 -4.924
96 1HB ASN 16 HB2 ASN 16 -14.616 6.482 -2.426
97 2HB ASN 16 HB1 ASN 16 -14.006 7.401 -3.803
98 1HD2 ASN 16 HD22 ASN 16 -17.641 5.538 -4.065
99 2HD2 ASN 16 HD21 ASN 16 -16.610 5.224 -2.743
100 H THR 17 HN THR 17 -11.525 3.779 -3.679
101 HA THR 17 HA THR 17 -9.413 5.622 -4.110
102 HB THR 17 HB THR 17 -10.323 6.587 -1.955
103 HG1 THR 17 HG1 THR 17 -8.339 7.102 -1.483
104 1HG2 THR 17 HG22 THR 17 -10.351 3.871 -1.216
105 2HG2 THR 17 HG21 THR 17 -9.079 4.614 -0.247
106 3HG2 THR 17 HG23 THR 17 -10.720 5.256 -0.188
107 H GLN 18 HN GLN 18 -9.712 3.119 -5.019
108 HA GLN 18 HA GLN 18 -8.659 1.010 -3.407
109 1HB GLN 18 HB2 GLN 18 -8.215 -0.128 -5.558
110 2HB GLN 18 HB1 GLN 18 -9.820 0.604 -5.545
111 1HG GLN 18 HG2 GLN 18 -9.184 2.343 -6.979
112 2HG GLN 18 HG1 GLN 18 -7.471 2.160 -6.597
113 1HE2 GLN 18 HE22 GLN 18 -8.450 0.538 -9.949
114 2HE2 GLN 18 HE21 GLN 18 -8.917 2.037 -9.282
115 H ALA 19 HN ALA 19 -6.475 -0.002 -4.827
116 HA ALA 19 HA ALA 19 -4.149 0.230 -5.097
117 1HB ALA 19 HB3 ALA 19 -5.097 2.608 -6.027
118 2HB ALA 19 HB2 ALA 19 -4.127 3.158 -4.660
119 3HB ALA 19 HB1 ALA 19 -3.382 2.205 -5.943
120 H SER 20 HN SER 20 -5.785 0.451 -2.412
121 HA SER 20 HA SER 20 -3.584 1.565 -0.748
122 1HB SER 20 HB2 SER 20 -6.313 1.868 -0.521
123 2HB SER 20 HB1 SER 20 -5.994 0.575 0.631
124 HG SER 20 HG SER 20 -4.945 3.197 0.536
125 H CYS 21 HN CYS 21 -3.973 -1.193 -2.162
126 HA CYS 21 HA CYS 21 -2.703 -2.690 0.030
127 1HB CYS 21 HB2 CYS 21 -4.878 -4.162 -1.399
128 2HB CYS 21 HB1 CYS 21 -4.203 -4.435 0.210
129 H GLU 22 HN GLU 22 -2.260 -5.082 -1.054
130 HA GLU 22 HA GLU 22 -0.841 -6.071 -2.661
131 1HB GLU 22 HB2 GLU 22 -1.987 -4.672 -4.968
132 2HB GLU 22 HB1 GLU 22 -1.980 -6.396 -4.602
133 1HG GLU 22 HG2 GLU 22 -3.812 -5.810 -2.852
134 2HG GLU 22 HG1 GLU 22 -3.975 -4.302 -3.753
135 H CYS 23 HN CYS 23 -0.360 -3.317 -1.549
136 HA CYS 23 HA CYS 23 0.742 -1.275 -2.215
137 1HB CYS 23 HB2 CYS 23 2.086 -3.149 -0.937
138 2HB CYS 23 HB1 CYS 23 3.011 -3.212 -2.435
139 HA PRO 24 HA PRO 24 0.437 -0.146 -6.569
140 1HB PRO 24 HB2 PRO 24 3.385 -0.136 -5.987
141 2HB PRO 24 HB1 PRO 24 2.411 1.058 -6.870
142 1HG PRO 24 HG2 PRO 24 3.132 1.373 -4.248
143 2HG PRO 24 HG1 PRO 24 1.655 2.071 -4.932
144 1HD PRO 24 HD2 PRO 24 1.907 -0.055 -2.984
145 2HD PRO 24 HD1 PRO 24 0.438 0.757 -3.533
146 H GLU 25 HN GLU 25 0.498 -1.279 -8.465
147 HA GLU 25 HA GLU 25 1.307 -4.007 -8.552
148 1HB GLU 25 HB2 GLU 25 0.245 -2.072 -10.406
149 2HB GLU 25 HB1 GLU 25 1.592 -2.918 -11.169
150 1HG GLU 25 HG2 GLU 25 0.164 -4.921 -9.826
151 2HG GLU 25 HG1 GLU 25 -1.074 -3.898 -10.554
152 H GLY 26 HN GLY 26 3.357 -4.200 -7.682
153 1HA GLY 26 HA2 GLY 26 5.652 -4.518 -8.868
154 2HA GLY 26 HA1 GLY 26 5.573 -2.758 -9.047
155 H TYR 27 HN TYR 27 4.399 -2.074 -6.568
156 HA TYR 27 HA TYR 27 6.587 -1.859 -4.862
157 1HB TYR 27 HB2 TYR 27 3.832 -1.254 -4.577
158 2HB TYR 27 HB1 TYR 27 4.270 -2.278 -3.213
159 HD1 TYR 27 HD1 TYR 27 6.089 -1.640 -1.651
160 HD2 TYR 27 HD2 TYR 27 4.811 0.954 -4.828
161 HE1 TYR 27 HE1 TYR 27 7.299 0.253 -0.599
162 HE2 TYR 27 HE2 TYR 27 6.012 2.847 -3.770
163 HH TYR 27 HH TYR 27 8.344 2.564 -1.612
164 H ILE 28 HN ILE 28 3.897 -4.121 -4.384
165 HA ILE 28 HA ILE 28 4.032 -6.474 -4.063
166 HB ILE 28 HB ILE 28 6.623 -6.137 -4.599
167 1HG1 ILE 28 HG12 ILE 28 5.909 -8.542 -2.952
168 2HG1 ILE 28 HG11 ILE 28 5.034 -8.237 -4.457
169 1HG2 ILE 28 HG23 ILE 28 6.931 -5.304 -2.158
170 2HG2 ILE 28 HG22 ILE 28 6.751 -6.999 -1.712
171 3HG2 ILE 28 HG21 ILE 28 8.071 -6.502 -2.770
172 1HD1 ILE 28 HD11 ILE 28 7.702 -7.813 -5.140
173 2HD1 ILE 28 HD13 ILE 28 7.760 -9.209 -4.064
174 3HD1 ILE 28 HD12 ILE 28 6.754 -9.254 -5.512
175 H LEU 29 HN LEU 29 2.696 -6.859 -2.418
176 HA LEU 29 HA LEU 29 2.719 -5.505 0.079
177 1HB LEU 29 HB2 LEU 29 1.238 -7.665 -1.205
178 2HB LEU 29 HB1 LEU 29 1.457 -7.969 0.519
179 HG LEU 29 HG LEU 29 0.371 -5.447 -0.724
180 1HD1 LEU 29 HD13 LEU 29 -0.896 -7.699 0.840
181 2HD1 LEU 29 HD12 LEU 29 -1.676 -6.132 0.624
182 3HD1 LEU 29 HD11 LEU 29 -1.320 -7.141 -0.778
183 1HD2 LEU 29 HD21 LEU 29 1.229 -6.172 2.043
184 2HD2 LEU 29 HD23 LEU 29 1.330 -4.628 1.200
185 3HD2 LEU 29 HD22 LEU 29 -0.209 -5.166 1.864
186 H ASP 30 HN ASP 30 2.490 -7.792 1.860
187 HA ASP 30 HA ASP 30 3.850 -9.541 2.830
188 1HB ASP 30 HB2 ASP 30 5.364 -9.443 0.753
189 2HB ASP 30 HB1 ASP 30 6.277 -8.206 1.616
190 H ASP 31 HN ASP 31 5.714 -9.275 4.560
191 HA ASP 31 HA ASP 31 6.563 -8.049 6.389
192 1HB ASP 31 HB2 ASP 31 6.892 -6.260 4.505
193 2HB ASP 31 HB1 ASP 31 5.443 -5.522 5.188
194 H GLY 32 HN GLY 32 3.452 -8.524 5.475
195 1HA GLY 32 HA2 GLY 32 1.990 -8.839 7.562
196 2HA GLY 32 HA1 GLY 32 2.328 -7.136 7.860
197 H PHE 33 HN PHE 33 1.736 -8.525 4.654
198 HA PHE 33 HA PHE 33 0.087 -7.955 3.089
199 1HB PHE 33 HB2 PHE 33 -1.448 -8.049 5.689
200 2HB PHE 33 HB1 PHE 33 -2.249 -7.636 4.169
201 HD1 PHE 33 HD1 PHE 33 -0.810 -9.339 2.235
202 HD2 PHE 33 HD2 PHE 33 -2.196 -10.223 6.204
203 HE1 PHE 33 HE1 PHE 33 -0.942 -11.744 1.653
204 HE2 PHE 33 HE2 PHE 33 -2.329 -12.629 5.621
205 HZ PHE 33 HZ PHE 33 -1.702 -13.391 3.346
206 H ILE 34 HN ILE 34 1.657 -5.846 4.710
207 HA ILE 34 HA ILE 34 -0.190 -3.540 4.334
208 HB ILE 34 HB ILE 34 2.563 -3.590 5.587
209 1HG1 ILE 34 HG12 ILE 34 1.293 -4.787 7.150
210 2HG1 ILE 34 HG11 ILE 34 1.078 -3.126 7.706
211 1HG2 ILE 34 HG22 ILE 34 1.692 -1.438 4.541
212 2HG2 ILE 34 HG21 ILE 34 0.415 -1.456 5.747
213 3HG2 ILE 34 HG23 ILE 34 2.099 -1.332 6.250
214 1HD1 ILE 34 HD11 ILE 34 -0.969 -3.321 5.931
215 2HD1 ILE 34 HD13 ILE 34 -0.891 -4.982 6.500
216 3HD1 ILE 34 HD12 ILE 34 -1.137 -3.667 7.647
217 H CYS 35 HN CYS 35 0.424 -1.825 2.984
218 HA CYS 35 HA CYS 35 2.307 -2.663 0.860
219 1HB CYS 35 HB2 CYS 35 0.414 -1.712 -0.119
220 2HB CYS 35 HB1 CYS 35 0.268 -0.470 1.121
221 H THR 36 HN THR 36 4.399 -1.917 0.801
222 HA THR 36 HA THR 36 5.413 0.596 1.272
223 HB THR 36 HB THR 36 4.598 0.804 3.470
224 HG1 THR 36 HG1 THR 36 7.067 -0.435 4.015
225 1HG2 THR 36 HG21 THR 36 5.028 -2.124 3.480
226 2HG2 THR 36 HG23 THR 36 5.270 -1.311 5.026
227 3HG2 THR 36 HG22 THR 36 3.723 -1.173 4.189
228 H ASP 37 HN ASP 37 7.826 0.463 2.176
229 HA ASP 37 HA ASP 37 9.259 -1.942 2.325
230 1HB ASP 37 HB2 ASP 37 8.263 -1.447 -0.331
231 2HB ASP 37 HB1 ASP 37 10.025 -1.357 -0.341
232 H ILE 38 HN ILE 38 9.442 0.724 3.324
233 HA ILE 38 HA ILE 38 12.264 1.238 2.751
234 HB ILE 38 HB ILE 38 11.854 3.644 2.143
235 1HG1 ILE 38 HG12 ILE 38 9.002 2.629 1.889
236 2HG1 ILE 38 HG11 ILE 38 9.580 3.860 3.018
237 1HG2 ILE 38 HG21 ILE 38 12.296 1.800 0.462
238 2HG2 ILE 38 HG23 ILE 38 10.553 1.701 0.215
239 3HG2 ILE 38 HG22 ILE 38 11.417 3.186 -0.183
240 1HD1 ILE 38 HD12 ILE 38 10.430 5.047 0.822
241 2HD1 ILE 38 HD11 ILE 38 9.207 4.041 0.045
242 3HD1 ILE 38 HD13 ILE 38 8.738 5.189 1.300
243 H ASP 39 HN ASP 39 10.481 0.583 5.052
244 HA ASP 39 HA ASP 39 11.710 2.091 7.075
245 1HB ASP 39 HB2 ASP 39 9.605 3.551 5.732
246 2HB ASP 39 HB1 ASP 39 9.172 3.275 7.423
247 H GLU 40 HN GLU 40 11.373 -0.403 7.337
248 HA GLU 40 HA GLU 40 10.355 -2.156 8.524
249 1HB GLU 40 HB2 GLU 40 10.612 -0.223 10.268
250 2HB GLU 40 HB1 GLU 40 8.863 -0.068 10.098
251 1HG GLU 40 HG2 GLU 40 8.452 -2.040 11.168
252 2HG GLU 40 HG1 GLU 40 9.853 -2.835 10.449
No H/Q in entry = 252
Start of MODEL 3
1 1H GLN 1 HT1 GLN 1 0.712 6.674 -5.449
2 2H GLN 1 HT3 GLN 1 -0.107 7.058 -6.883
3 3H GLN 1 HT2 GLN 1 0.277 8.284 -5.771
4 HA GLN 1 HA GLN 1 -1.325 7.625 -4.257
5 1HB GLN 1 HB2 GLN 1 -2.113 7.598 -7.110
6 2HB GLN 1 HB1 GLN 1 -3.294 6.899 -6.001
7 1HG GLN 1 HG2 GLN 1 -2.630 9.112 -4.602
8 2HG GLN 1 HG1 GLN 1 -2.353 9.708 -6.239
9 1HE2 GLN 1 HE22 GLN 1 -5.786 10.128 -6.838
10 2HE2 GLN 1 HE21 GLN 1 -4.188 10.563 -7.212
11 H MET 2 HN MET 2 -0.223 5.063 -6.326
12 HA MET 2 HA MET 2 -1.944 3.076 -4.964
13 1HB MET 2 HB2 MET 2 0.174 2.650 -7.090
14 2HB MET 2 HB1 MET 2 -1.018 1.469 -6.545
15 1HG MET 2 HG2 MET 2 -2.249 2.248 -8.295
16 2HG MET 2 HG1 MET 2 -2.633 3.574 -7.198
17 1HE MET 2 HE2 MET 2 -3.042 5.474 -8.589
18 2HE MET 2 HE1 MET 2 -2.214 5.878 -10.090
19 3HE MET 2 HE3 MET 2 -3.124 4.368 -9.957
20 H PHE 3 HN PHE 3 0.393 4.650 -3.759
21 HA PHE 3 HA PHE 3 2.065 2.330 -2.902
22 1HB PHE 3 HB2 PHE 3 2.717 5.170 -2.192
23 2HB PHE 3 HB1 PHE 3 3.807 3.814 -2.479
24 HD1 PHE 3 HD1 PHE 3 3.355 2.732 -4.982
25 HD2 PHE 3 HD2 PHE 3 2.806 6.829 -3.815
26 HE1 PHE 3 HE1 PHE 3 3.616 3.439 -7.345
27 HE2 PHE 3 HE2 PHE 3 3.068 7.537 -6.178
28 HZ PHE 3 HZ PHE 3 3.472 5.842 -7.943
29 H CYS 4 HN CYS 4 -0.384 2.218 -1.765
30 HA CYS 4 HA CYS 4 -1.455 2.175 0.319
31 1HB CYS 4 HB2 CYS 4 0.036 1.445 1.877
32 2HB CYS 4 HB1 CYS 4 1.371 2.052 0.899
33 H ASN 5 HN ASN 5 -2.325 3.744 1.930
34 HA ASN 5 HA ASN 5 -3.148 6.163 0.981
35 1HB ASN 5 HB2 ASN 5 -2.338 5.486 3.818
36 2HB ASN 5 HB1 ASN 5 -3.171 6.984 3.387
37 1HD2 ASN 5 HD22 ASN 5 -6.283 5.347 2.667
38 2HD2 ASN 5 HD21 ASN 5 -5.353 6.736 2.325
39 H GLN 6 HN GLN 6 -0.338 6.074 3.216
40 HA GLN 6 HA GLN 6 0.703 8.473 1.764
41 1HB GLN 6 HB2 GLN 6 1.826 9.105 3.791
42 2HB GLN 6 HB1 GLN 6 0.175 8.678 4.243
43 1HG GLN 6 HG2 GLN 6 1.161 6.286 4.614
44 2HG GLN 6 HG1 GLN 6 2.713 7.122 4.680
45 1HE2 GLN 6 HE22 GLN 6 -0.059 7.994 7.608
46 2HE2 GLN 6 HE21 GLN 6 -0.609 7.521 6.064
47 H THR 7 HN THR 7 3.357 8.347 2.693
48 HA THR 7 HA THR 7 4.711 6.833 0.825
49 HB THR 7 HB THR 7 5.989 8.322 2.188
50 HG1 THR 7 HG1 THR 7 7.329 6.707 1.702
51 1HG2 THR 7 HG22 THR 7 4.363 7.866 4.187
52 2HG2 THR 7 HG21 THR 7 5.548 6.640 4.637
53 3HG2 THR 7 HG23 THR 7 6.030 8.333 4.524
54 H ALA 8 HN ALA 8 3.978 5.717 4.149
55 HA ALA 8 HA ALA 8 3.733 2.971 3.064
56 1HB ALA 8 HB1 ALA 8 6.054 3.148 3.893
57 2HB ALA 8 HB3 ALA 8 5.447 3.655 5.468
58 3HB ALA 8 HB2 ALA 8 5.104 2.033 4.874
59 H CYS 9 HN CYS 9 2.233 1.743 4.175
60 HA CYS 9 HA CYS 9 1.131 2.194 6.758
61 1HB CYS 9 HB2 CYS 9 -0.868 3.469 6.276
62 2HB CYS 9 HB1 CYS 9 0.488 4.403 5.651
63 HA PRO 10 HA PRO 10 -0.865 -1.493 5.876
64 1HB PRO 10 HB2 PRO 10 -3.560 -0.593 6.522
65 2HB PRO 10 HB1 PRO 10 -2.529 -1.745 7.385
66 1HG PRO 10 HG2 PRO 10 -3.112 0.925 8.166
67 2HG PRO 10 HG1 PRO 10 -1.931 -0.166 8.907
68 1HD PRO 10 HD2 PRO 10 -1.438 2.187 7.345
69 2HD PRO 10 HD1 PRO 10 -0.252 1.109 8.105
70 H ALA 11 HN ALA 11 -3.444 -2.015 4.917
71 HA ALA 11 HA ALA 11 -3.444 -0.542 2.313
72 1HB ALA 11 HB3 ALA 11 -3.781 -3.523 2.749
73 2HB ALA 11 HB2 ALA 11 -3.989 -2.701 1.203
74 3HB ALA 11 HB1 ALA 11 -2.406 -2.730 1.981
75 H ASP 12 HN ASP 12 -5.230 0.659 3.484
76 HA ASP 12 HA ASP 12 -7.712 -0.865 3.919
77 1HB ASP 12 HB2 ASP 12 -6.666 1.642 4.798
78 2HB ASP 12 HB1 ASP 12 -8.161 1.966 3.912
79 H CYS 13 HN CYS 13 -7.904 -1.619 1.681
80 HA CYS 13 HA CYS 13 -7.956 -0.160 -0.665
81 1HB CYS 13 HB2 CYS 13 -10.177 -2.109 -0.006
82 2HB CYS 13 HB1 CYS 13 -9.451 -1.779 -1.582
83 H ASP 14 HN ASP 14 -8.645 1.983 -0.404
84 HA ASP 14 HA ASP 14 -10.902 2.939 0.940
85 1HB ASP 14 HB2 ASP 14 -9.176 3.893 -1.243
86 2HB ASP 14 HB1 ASP 14 -10.805 4.578 -1.271
87 HA PRO 15 HA PRO 15 -14.172 1.738 -1.715
88 1HB PRO 15 HB2 PRO 15 -15.942 3.881 -1.020
89 2HB PRO 15 HB1 PRO 15 -15.868 2.265 -0.305
90 1HG PRO 15 HG2 PRO 15 -15.038 4.756 0.880
91 2HG PRO 15 HG1 PRO 15 -14.979 3.139 1.594
92 1HD PRO 15 HD2 PRO 15 -12.776 4.728 0.627
93 2HD PRO 15 HD1 PRO 15 -12.719 3.117 1.365
94 H ASN 16 HN ASN 16 -12.496 4.533 -2.358
95 HA ASN 16 HA ASN 16 -13.904 4.866 -4.958
96 1HB ASN 16 HB2 ASN 16 -12.888 7.237 -3.381
97 2HB ASN 16 HB1 ASN 16 -13.964 7.237 -4.778
98 1HD2 ASN 16 HD22 ASN 16 -16.731 5.899 -2.699
99 2HD2 ASN 16 HD21 ASN 16 -15.947 5.462 -4.150
100 H THR 17 HN THR 17 -11.501 3.465 -4.186
101 HA THR 17 HA THR 17 -9.696 4.171 -6.175
102 HB THR 17 HB THR 17 -9.503 5.839 -3.725
103 HG1 THR 17 HG1 THR 17 -8.920 7.296 -5.197
104 1HG2 THR 17 HG21 THR 17 -7.181 4.316 -4.811
105 2HG2 THR 17 HG23 THR 17 -6.926 6.000 -4.354
106 3HG2 THR 17 HG22 THR 17 -7.510 4.840 -3.160
107 H GLN 18 HN GLN 18 -9.719 1.853 -6.091
108 HA GLN 18 HA GLN 18 -8.782 0.461 -3.696
109 1HB GLN 18 HB2 GLN 18 -10.405 -0.627 -5.172
110 2HB GLN 18 HB1 GLN 18 -9.276 -0.522 -6.524
111 1HG GLN 18 HG2 GLN 18 -7.993 -2.254 -5.763
112 2HG GLN 18 HG1 GLN 18 -8.230 -1.819 -4.070
113 1HE2 GLN 18 HE22 GLN 18 -11.384 -3.849 -5.771
114 2HE2 GLN 18 HE21 GLN 18 -10.650 -2.574 -6.635
115 H ALA 19 HN ALA 19 -6.723 1.824 -3.691
116 HA ALA 19 HA ALA 19 -4.644 0.409 -5.298
117 1HB ALA 19 HB3 ALA 19 -5.282 2.852 -6.040
118 2HB ALA 19 HB2 ALA 19 -4.340 3.322 -4.625
119 3HB ALA 19 HB1 ALA 19 -3.583 2.396 -5.920
120 H SER 20 HN SER 20 -5.814 0.974 -2.291
121 HA SER 20 HA SER 20 -3.231 1.459 -0.984
122 1HB SER 20 HB2 SER 20 -6.024 1.609 -0.215
123 2HB SER 20 HB1 SER 20 -5.090 0.703 0.972
124 HG SER 20 HG SER 20 -5.229 3.230 0.886
125 H CYS 21 HN CYS 21 -4.735 -1.155 -2.284
126 HA CYS 21 HA CYS 21 -3.184 -2.961 -0.509
127 1HB CYS 21 HB2 CYS 21 -5.048 -4.690 -1.362
128 2HB CYS 21 HB1 CYS 21 -5.232 -3.749 0.120
129 H GLU 22 HN GLU 22 -3.228 -1.646 -3.407
130 HA GLU 22 HA GLU 22 -2.374 -4.100 -4.872
131 1HB GLU 22 HB2 GLU 22 -2.612 -2.842 -6.897
132 2HB GLU 22 HB1 GLU 22 -4.024 -2.425 -5.926
133 1HG GLU 22 HG2 GLU 22 -2.944 -0.365 -5.176
134 2HG GLU 22 HG1 GLU 22 -1.470 -0.793 -6.044
135 H CYS 23 HN CYS 23 -1.039 -2.654 -2.689
136 HA CYS 23 HA CYS 23 0.911 -1.126 -2.495
137 1HB CYS 23 HB2 CYS 23 2.166 -3.811 -2.804
138 2HB CYS 23 HB1 CYS 23 2.337 -2.628 -1.507
139 HA PRO 24 HA PRO 24 2.719 0.700 -6.080
140 1HB PRO 24 HB2 PRO 24 5.161 -0.629 -5.008
141 2HB PRO 24 HB1 PRO 24 4.914 1.059 -5.501
142 1HG PRO 24 HG2 PRO 24 4.993 0.300 -2.878
143 2HG PRO 24 HG1 PRO 24 4.034 1.672 -3.447
144 1HD PRO 24 HD2 PRO 24 3.111 -0.977 -2.520
145 2HD PRO 24 HD1 PRO 24 2.211 0.546 -2.640
146 H GLU 25 HN GLU 25 1.395 -1.266 -7.063
147 HA GLU 25 HA GLU 25 1.419 -3.360 -8.264
148 1HB GLU 25 HB2 GLU 25 1.809 -1.209 -9.706
149 2HB GLU 25 HB1 GLU 25 3.430 -1.871 -9.915
150 1HG GLU 25 HG2 GLU 25 2.070 -2.680 -11.741
151 2HG GLU 25 HG1 GLU 25 2.367 -4.034 -10.651
152 H GLY 26 HN GLY 26 2.467 -4.992 -7.121
153 1HA GLY 26 HA2 GLY 26 4.187 -6.694 -7.300
154 2HA GLY 26 HA1 GLY 26 5.288 -5.463 -7.932
155 H TYR 27 HN TYR 27 4.267 -3.588 -5.723
156 HA TYR 27 HA TYR 27 6.363 -3.863 -3.895
157 1HB TYR 27 HB2 TYR 27 4.161 -2.176 -4.123
158 2HB TYR 27 HB1 TYR 27 3.941 -2.956 -2.551
159 HD1 TYR 27 HD2 TYR 27 6.916 -1.829 -4.536
160 HD2 TYR 27 HD1 TYR 27 4.807 -1.659 -0.797
161 HE1 TYR 27 HE2 TYR 27 8.707 -0.400 -3.595
162 HE2 TYR 27 HE1 TYR 27 6.604 -0.226 0.141
163 HH TYR 27 HH TYR 27 8.689 1.447 -1.545
164 H ILE 28 HN ILE 28 3.422 -5.647 -4.171
165 HA ILE 28 HA ILE 28 2.463 -7.380 -2.972
166 HB ILE 28 HB ILE 28 3.939 -9.102 -2.200
167 1HG1 ILE 28 HG12 ILE 28 6.339 -7.319 -2.509
168 2HG1 ILE 28 HG11 ILE 28 5.434 -7.306 -0.991
169 1HG2 ILE 28 HG23 ILE 28 4.155 -7.833 -4.722
170 2HG2 ILE 28 HG22 ILE 28 5.779 -8.343 -4.260
171 3HG2 ILE 28 HG21 ILE 28 4.470 -9.523 -4.329
172 1HD1 ILE 28 HD13 ILE 28 6.363 -9.884 -2.265
173 2HD1 ILE 28 HD12 ILE 28 7.390 -8.971 -1.160
174 3HD1 ILE 28 HD11 ILE 28 5.846 -9.612 -0.600
175 H LEU 29 HN LEU 29 1.820 -8.106 -0.916
176 HA LEU 29 HA LEU 29 2.023 -6.021 1.137
177 1HB LEU 29 HB2 LEU 29 0.327 -8.415 0.635
178 2HB LEU 29 HB1 LEU 29 0.531 -7.928 2.320
179 HG LEU 29 HG LEU 29 -0.261 -6.043 0.114
180 1HD1 LEU 29 HD11 LEU 29 -1.909 -7.623 2.083
181 2HD1 LEU 29 HD13 LEU 29 -2.523 -6.175 1.285
182 3HD1 LEU 29 HD12 LEU 29 -2.068 -7.584 0.326
183 1HD2 LEU 29 HD23 LEU 29 0.451 -5.749 2.918
184 2HD2 LEU 29 HD22 LEU 29 0.194 -4.502 1.695
185 3HD2 LEU 29 HD21 LEU 29 -1.175 -5.147 2.596
186 H ASP 30 HN ASP 30 1.822 -7.452 3.448
187 HA ASP 30 HA ASP 30 4.116 -9.315 3.593
188 1HB ASP 30 HB2 ASP 30 4.034 -6.744 5.204
189 2HB ASP 30 HB1 ASP 30 5.256 -8.009 5.335
190 H ASP 31 HN ASP 31 4.362 -9.412 6.365
191 HA ASP 31 HA ASP 31 1.996 -10.894 7.089
192 1HB ASP 31 HB2 ASP 31 3.075 -11.249 9.208
193 2HB ASP 31 HB1 ASP 31 4.344 -11.282 7.983
194 H GLY 32 HN GLY 32 2.579 -7.588 6.974
195 1HA GLY 32 HA2 GLY 32 0.577 -7.060 9.125
196 2HA GLY 32 HA1 GLY 32 1.789 -5.894 8.600
197 H PHE 33 HN PHE 33 0.218 -7.789 6.169
198 HA PHE 33 HA PHE 33 -1.049 -7.010 4.340
199 1HB PHE 33 HB2 PHE 33 -2.566 -5.808 6.678
200 2HB PHE 33 HB1 PHE 33 -3.194 -5.944 5.032
201 HD1 PHE 33 HD2 PHE 33 -2.013 -7.885 7.975
202 HD2 PHE 33 HD1 PHE 33 -4.006 -8.019 4.172
203 HE1 PHE 33 HE2 PHE 33 -2.731 -10.214 8.433
204 HE2 PHE 33 HE1 PHE 33 -4.724 -10.347 4.630
205 HZ PHE 33 HZ PHE 33 -4.087 -11.445 6.760
206 H ILE 34 HN ILE 34 1.200 -5.272 5.351
207 HA ILE 34 HA ILE 34 0.169 -2.563 4.789
208 HB ILE 34 HB ILE 34 3.063 -3.313 5.194
209 1HG1 ILE 34 HG12 ILE 34 1.824 -4.184 7.116
210 2HG1 ILE 34 HG11 ILE 34 2.678 -2.712 7.595
211 1HG2 ILE 34 HG22 ILE 34 2.455 -1.058 4.281
212 2HG2 ILE 34 HG21 ILE 34 1.489 -0.776 5.727
213 3HG2 ILE 34 HG23 ILE 34 3.233 -0.966 5.861
214 1HD1 ILE 34 HD11 ILE 34 0.575 -1.422 7.116
215 2HD1 ILE 34 HD13 ILE 34 -0.248 -2.960 6.857
216 3HD1 ILE 34 HD12 ILE 34 0.416 -2.572 8.445
217 H CYS 35 HN CYS 35 0.710 -1.397 2.967
218 HA CYS 35 HA CYS 35 1.709 -3.060 0.711
219 1HB CYS 35 HB2 CYS 35 -0.055 -0.659 0.961
220 2HB CYS 35 HB1 CYS 35 0.882 -0.839 -0.526
221 H THR 36 HN THR 36 3.415 -1.763 2.830
222 HA THR 36 HA THR 36 5.039 0.031 1.064
223 HB THR 36 HB THR 36 4.122 1.149 3.075
224 HG1 THR 36 HG1 THR 36 6.262 1.571 2.156
225 1HG2 THR 36 HG23 THR 36 4.449 -1.211 4.313
226 2HG2 THR 36 HG22 THR 36 5.950 -0.427 4.804
227 3HG2 THR 36 HG21 THR 36 4.399 0.319 5.190
228 H ASP 37 HN ASP 37 7.448 -0.007 1.924
229 HA ASP 37 HA ASP 37 8.693 -2.007 3.317
230 1HB ASP 37 HB2 ASP 37 9.269 -3.658 1.388
231 2HB ASP 37 HB1 ASP 37 7.714 -3.828 2.201
232 H ILE 38 HN ILE 38 10.200 -0.282 3.401
233 HA ILE 38 HA ILE 38 11.906 -0.045 0.956
234 HB ILE 38 HB ILE 38 12.201 2.304 1.333
235 1HG1 ILE 38 HG12 ILE 38 10.589 1.908 3.877
236 2HG1 ILE 38 HG11 ILE 38 12.331 2.193 3.802
237 1HG2 ILE 38 HG23 ILE 38 9.917 1.365 0.426
238 2HG2 ILE 38 HG22 ILE 38 9.275 2.000 1.942
239 3HG2 ILE 38 HG21 ILE 38 10.068 3.083 0.797
240 1HD1 ILE 38 HD12 ILE 38 10.826 4.176 2.273
241 2HD1 ILE 38 HD11 ILE 38 10.363 4.157 3.975
242 3HD1 ILE 38 HD13 ILE 38 12.048 4.417 3.523
243 H ASP 39 HN ASP 39 12.107 -1.706 3.450
244 HA ASP 39 HA ASP 39 13.759 -2.313 5.004
245 1HB ASP 39 HB2 ASP 39 15.026 -1.624 2.611
246 2HB ASP 39 HB1 ASP 39 15.924 -0.738 3.848
247 H GLU 40 HN GLU 40 12.323 -0.496 6.191
248 HA GLU 40 HA GLU 40 14.183 1.006 7.816
249 1HB GLU 40 HB2 GLU 40 14.117 2.508 5.855
250 2HB GLU 40 HB1 GLU 40 12.359 2.587 5.977
251 1HG GLU 40 HG2 GLU 40 12.412 3.854 7.926
252 2HG GLU 40 HG1 GLU 40 14.012 3.270 8.384
No H/Q in entry = 252
Start of MODEL 4
1 1H GLN 1 HT3 GLN 1 -3.495 4.436 -6.491
2 2H GLN 1 HT2 GLN 1 -3.172 5.304 -7.916
3 3H GLN 1 HT1 GLN 1 -3.986 3.815 -7.991
4 HA GLN 1 HA GLN 1 -2.053 2.624 -7.311
5 1HB GLN 1 HB2 GLN 1 -2.338 3.928 -9.726
6 2HB GLN 1 HB1 GLN 1 -0.719 4.413 -9.223
7 1HG GLN 1 HG2 GLN 1 -0.008 2.414 -9.993
8 2HG GLN 1 HG1 GLN 1 -0.827 1.696 -8.605
9 1HE2 GLN 1 HE22 GLN 1 -3.773 0.837 -10.573
10 2HE2 GLN 1 HE21 GLN 1 -3.371 1.468 -9.050
11 H MET 2 HN MET 2 -1.813 3.822 -5.091
12 HA MET 2 HA MET 2 0.822 5.226 -5.152
13 1HB MET 2 HB2 MET 2 -1.630 5.960 -3.528
14 2HB MET 2 HB1 MET 2 -0.017 6.588 -3.189
15 1HG MET 2 HG2 MET 2 -0.046 7.986 -4.986
16 2HG MET 2 HG1 MET 2 -0.857 6.804 -6.013
17 1HE MET 2 HE2 MET 2 -0.915 9.899 -5.342
18 2HE MET 2 HE1 MET 2 -2.526 10.515 -4.983
19 3HE MET 2 HE3 MET 2 -1.453 10.013 -3.668
20 H PHE 3 HN PHE 3 2.281 4.196 -3.870
21 HA PHE 3 HA PHE 3 1.886 1.797 -2.551
22 1HB PHE 3 HB2 PHE 3 3.803 2.755 -0.957
23 2HB PHE 3 HB1 PHE 3 4.128 2.323 -2.635
24 HD1 PHE 3 HD1 PHE 3 3.413 5.144 -0.333
25 HD2 PHE 3 HD2 PHE 3 4.641 3.989 -4.284
26 HE1 PHE 3 HE1 PHE 3 4.080 7.482 -0.810
27 HE2 PHE 3 HE2 PHE 3 5.309 6.328 -4.761
28 HZ PHE 3 HZ PHE 3 5.029 8.077 -3.023
29 H CYS 4 HN CYS 4 -0.114 1.759 -1.345
30 HA CYS 4 HA CYS 4 -1.616 2.363 0.372
31 1HB CYS 4 HB2 CYS 4 0.830 1.286 1.387
32 2HB CYS 4 HB1 CYS 4 0.282 2.526 2.521
33 H ASN 5 HN ASN 5 -1.027 3.859 2.790
34 HA ASN 5 HA ASN 5 -1.077 6.563 1.585
35 1HB ASN 5 HB2 ASN 5 -2.756 5.512 3.366
36 2HB ASN 5 HB1 ASN 5 -1.532 6.085 4.504
37 1HD2 ASN 5 HD22 ASN 5 -2.039 9.493 2.804
38 2HD2 ASN 5 HD21 ASN 5 -0.783 8.351 2.630
39 H GLN 6 HN GLN 6 -0.309 7.566 4.393
40 HA GLN 6 HA GLN 6 2.564 7.739 3.823
41 1HB GLN 6 HB2 GLN 6 2.641 9.388 5.559
42 2HB GLN 6 HB1 GLN 6 1.141 9.671 4.677
43 1HG GLN 6 HG2 GLN 6 -0.130 8.456 6.372
44 2HG GLN 6 HG1 GLN 6 1.357 8.054 7.233
45 1HE2 GLN 6 HE21 GLN 6 2.704 10.569 7.052
46 2HE2 GLN 6 HE22 GLN 6 1.821 11.721 7.948
47 H THR 7 HN THR 7 4.202 7.123 5.429
48 HA THR 7 HA THR 7 5.150 5.450 6.793
49 HB THR 7 HB THR 7 2.566 5.568 8.352
50 HG1 THR 7 HG1 THR 7 4.680 7.400 8.667
51 1HG2 THR 7 HG22 THR 7 4.927 4.234 8.772
52 2HG2 THR 7 HG21 THR 7 5.185 5.720 9.685
53 3HG2 THR 7 HG23 THR 7 3.796 4.694 10.045
54 H ALA 8 HN ALA 8 3.249 4.738 4.547
55 HA ALA 8 HA ALA 8 2.431 2.764 3.621
56 1HB ALA 8 HB2 ALA 8 4.500 1.762 4.617
57 2HB ALA 8 HB1 ALA 8 3.596 1.442 6.097
58 3HB ALA 8 HB3 ALA 8 3.146 0.633 4.596
59 H CYS 9 HN CYS 9 0.558 1.293 3.904
60 HA CYS 9 HA CYS 9 -0.957 1.733 6.419
61 1HB CYS 9 HB2 CYS 9 -2.819 2.708 5.413
62 2HB CYS 9 HB1 CYS 9 -1.482 3.471 4.568
63 HA PRO 10 HA PRO 10 -2.336 -2.294 6.170
64 1HB PRO 10 HB2 PRO 10 -5.174 -1.796 6.410
65 2HB PRO 10 HB1 PRO 10 -4.050 -2.401 7.636
66 1HG PRO 10 HG2 PRO 10 -5.158 0.253 7.410
67 2HG PRO 10 HG1 PRO 10 -4.048 -0.362 8.645
68 1HD PRO 10 HD2 PRO 10 -3.457 1.512 6.607
69 2HD PRO 10 HD1 PRO 10 -2.303 0.740 7.711
70 H ALA 11 HN ALA 11 -3.257 -0.300 3.771
71 HA ALA 11 HA ALA 11 -3.732 -0.786 1.503
72 1HB ALA 11 HB3 ALA 11 -2.385 -2.906 2.104
73 2HB ALA 11 HB2 ALA 11 -3.954 -3.691 2.286
74 3HB ALA 11 HB1 ALA 11 -3.485 -3.011 0.731
75 H ASP 12 HN ASP 12 -5.509 -3.272 1.035
76 HA ASP 12 HA ASP 12 -7.799 -3.862 1.239
77 1HB ASP 12 HB2 ASP 12 -8.305 -1.275 2.713
78 2HB ASP 12 HB1 ASP 12 -9.254 -2.765 2.748
79 H CYS 13 HN CYS 13 -8.494 -3.635 -0.821
80 HA CYS 13 HA CYS 13 -8.406 -1.050 -2.183
81 1HB CYS 13 HB2 CYS 13 -9.927 -3.373 -3.308
82 2HB CYS 13 HB1 CYS 13 -8.874 -2.218 -4.129
83 H ASP 14 HN ASP 14 -9.859 0.043 -0.597
84 HA ASP 14 HA ASP 14 -12.715 -0.740 -0.804
85 1HB ASP 14 HB2 ASP 14 -11.085 0.579 1.191
86 2HB ASP 14 HB1 ASP 14 -12.467 1.594 0.764
87 HA PRO 15 HA PRO 15 -13.841 2.528 -3.430
88 1HB PRO 15 HB2 PRO 15 -15.740 3.920 -1.778
89 2HB PRO 15 HB1 PRO 15 -16.069 2.751 -3.064
90 1HG PRO 15 HG2 PRO 15 -16.335 2.364 -0.222
91 2HG PRO 15 HG1 PRO 15 -16.669 1.202 -1.513
92 1HD PRO 15 HD2 PRO 15 -14.468 1.185 0.336
93 2HD PRO 15 HD1 PRO 15 -14.792 0.041 -0.979
94 H ASN 16 HN ASN 16 -13.307 3.621 -0.094
95 HA ASN 16 HA ASN 16 -12.436 6.278 -1.103
96 1HB ASN 16 HB2 ASN 16 -12.336 6.876 1.321
97 2HB ASN 16 HB1 ASN 16 -13.935 6.314 0.828
98 1HD2 ASN 16 HD22 ASN 16 -13.900 3.572 3.041
99 2HD2 ASN 16 HD21 ASN 16 -14.791 4.543 1.957
100 H THR 17 HN THR 17 -10.953 3.574 -1.273
101 HA THR 17 HA THR 17 -8.325 4.687 -0.625
102 HB THR 17 HB THR 17 -7.811 2.495 0.721
103 HG1 THR 17 HG1 THR 17 -10.602 2.814 1.119
104 1HG2 THR 17 HG23 THR 17 -8.320 5.097 1.422
105 2HG2 THR 17 HG22 THR 17 -9.497 4.225 2.405
106 3HG2 THR 17 HG21 THR 17 -7.780 3.846 2.543
107 H GLN 18 HN GLN 18 -8.892 4.221 -3.100
108 HA GLN 18 HA GLN 18 -8.511 1.426 -3.898
109 1HB GLN 18 HB2 GLN 18 -9.900 3.101 -5.193
110 2HB GLN 18 HB1 GLN 18 -8.393 3.902 -5.641
111 1HG GLN 18 HG2 GLN 18 -7.969 1.166 -6.152
112 2HG GLN 18 HG1 GLN 18 -9.585 1.517 -6.766
113 1HE2 GLN 18 HE22 GLN 18 -7.153 2.380 -9.470
114 2HE2 GLN 18 HE21 GLN 18 -7.585 0.953 -8.641
115 H ALA 19 HN ALA 19 -6.498 4.129 -3.172
116 HA ALA 19 HA ALA 19 -4.237 3.327 -4.817
117 1HB ALA 19 HB1 ALA 19 -4.839 5.421 -2.848
118 2HB ALA 19 HB3 ALA 19 -3.181 4.827 -2.750
119 3HB ALA 19 HB2 ALA 19 -3.795 5.482 -4.268
120 H SER 20 HN SER 20 -5.643 1.994 -2.080
121 HA SER 20 HA SER 20 -3.126 1.072 -0.848
122 1HB SER 20 HB2 SER 20 -5.963 1.144 -0.128
123 2HB SER 20 HB1 SER 20 -5.226 -0.413 0.233
124 HG SER 20 HG SER 20 -5.071 1.654 1.707
125 H CYS 21 HN CYS 21 -3.361 -1.476 -0.279
126 HA CYS 21 HA CYS 21 -2.821 -3.540 -1.267
127 1HB CYS 21 HB2 CYS 21 -4.732 -4.677 -2.154
128 2HB CYS 21 HB1 CYS 21 -5.310 -3.592 -0.887
129 H GLU 22 HN GLU 22 -3.175 -4.737 -3.686
130 HA GLU 22 HA GLU 22 -1.990 -4.741 -5.751
131 1HB GLU 22 HB2 GLU 22 -2.938 -2.126 -6.631
132 2HB GLU 22 HB1 GLU 22 -3.331 -3.719 -7.273
133 1HG GLU 22 HG2 GLU 22 -4.798 -3.871 -5.064
134 2HG GLU 22 HG1 GLU 22 -4.749 -2.113 -5.184
135 H CYS 23 HN CYS 23 -0.794 -3.519 -3.427
136 HA CYS 23 HA CYS 23 0.425 -1.208 -3.298
137 1HB CYS 23 HB2 CYS 23 1.057 -3.569 -2.262
138 2HB CYS 23 HB1 CYS 23 2.367 -3.474 -3.438
139 HA PRO 24 HA PRO 24 1.541 0.840 -7.122
140 1HB PRO 24 HB2 PRO 24 4.138 -0.250 -6.057
141 2HB PRO 24 HB1 PRO 24 3.789 1.356 -6.731
142 1HG PRO 24 HG2 PRO 24 3.876 0.812 -4.035
143 2HG PRO 24 HG1 PRO 24 2.945 2.144 -4.745
144 1HD PRO 24 HD2 PRO 24 1.949 -0.205 -3.432
145 2HD PRO 24 HD1 PRO 24 1.015 1.132 -4.101
146 H GLU 25 HN GLU 25 3.698 -0.075 -8.664
147 HA GLU 25 HA GLU 25 2.508 -2.587 -9.728
148 1HB GLU 25 HB2 GLU 25 2.653 -0.643 -11.260
149 2HB GLU 25 HB1 GLU 25 4.406 -0.642 -11.059
150 1HG GLU 25 HG2 GLU 25 4.541 -2.907 -11.983
151 2HG GLU 25 HG1 GLU 25 2.785 -2.972 -12.129
152 H GLY 26 HN GLY 26 3.735 -3.562 -7.839
153 1HA GLY 26 HA2 GLY 26 5.484 -5.395 -8.123
154 2HA GLY 26 HA1 GLY 26 6.566 -4.092 -8.632
155 H TYR 27 HN TYR 27 4.635 -2.746 -6.300
156 HA TYR 27 HA TYR 27 6.697 -2.458 -4.407
157 1HB TYR 27 HB2 TYR 27 4.183 -1.444 -4.485
158 2HB TYR 27 HB1 TYR 27 3.983 -2.716 -3.279
159 HD1 TYR 27 HD1 TYR 27 5.252 -2.688 -1.144
160 HD2 TYR 27 HD2 TYR 27 5.683 0.432 -4.070
161 HE1 TYR 27 HE1 TYR 27 6.470 -1.293 0.503
162 HE2 TYR 27 HE2 TYR 27 6.886 1.823 -2.421
163 HH TYR 27 HH TYR 27 6.823 1.785 0.407
164 H ILE 28 HN ILE 28 4.199 -4.921 -4.727
165 HA ILE 28 HA ILE 28 4.037 -7.077 -3.863
166 HB ILE 28 HB ILE 28 6.929 -6.442 -3.428
167 1HG1 ILE 28 HG12 ILE 28 6.781 -8.935 -4.465
168 2HG1 ILE 28 HG11 ILE 28 5.214 -8.303 -4.983
169 1HG2 ILE 28 HG22 ILE 28 5.513 -8.790 -2.129
170 2HG2 ILE 28 HG21 ILE 28 7.263 -8.613 -2.261
171 3HG2 ILE 28 HG23 ILE 28 6.332 -7.476 -1.285
172 1HD1 ILE 28 HD13 ILE 28 7.716 -6.673 -5.372
173 2HD1 ILE 28 HD12 ILE 28 7.281 -7.930 -6.530
174 3HD1 ILE 28 HD11 ILE 28 6.186 -6.577 -6.244
175 H LEU 29 HN LEU 29 2.536 -7.055 -2.284
176 HA LEU 29 HA LEU 29 2.423 -5.405 -0.031
177 1HB LEU 29 HB2 LEU 29 1.158 -7.930 -0.863
178 2HB LEU 29 HB1 LEU 29 1.224 -7.699 0.887
179 HG LEU 29 HG LEU 29 0.291 -5.489 -0.939
180 1HD1 LEU 29 HD13 LEU 29 -1.027 -8.015 -0.305
181 2HD1 LEU 29 HD12 LEU 29 -1.965 -6.616 0.216
182 3HD1 LEU 29 HD11 LEU 29 -1.484 -6.776 -1.473
183 1HD2 LEU 29 HD22 LEU 29 0.381 -6.076 1.966
184 2HD2 LEU 29 HD21 LEU 29 0.412 -4.522 1.131
185 3HD2 LEU 29 HD23 LEU 29 -1.121 -5.353 1.389
186 H ASP 30 HN ASP 30 2.243 -6.778 2.260
187 HA ASP 30 HA ASP 30 3.928 -8.692 3.177
188 1HB ASP 30 HB2 ASP 30 5.549 -6.448 2.134
189 2HB ASP 30 HB1 ASP 30 6.005 -7.008 3.744
190 H ASP 31 HN ASP 31 5.053 -8.016 5.428
191 HA ASP 31 HA ASP 31 4.637 -7.238 7.601
192 1HB ASP 31 HB2 ASP 31 4.404 -4.953 5.806
193 2HB ASP 31 HB1 ASP 31 3.397 -4.762 7.242
194 H GLY 32 HN GLY 32 2.374 -8.436 5.777
195 1HA GLY 32 HA2 GLY 32 0.305 -9.317 6.667
196 2HA GLY 32 HA1 GLY 32 0.252 -7.968 7.800
197 H PHE 33 HN PHE 33 -0.006 -8.726 4.341
198 HA PHE 33 HA PHE 33 -1.115 -7.557 2.628
199 1HB PHE 33 HB2 PHE 33 -3.122 -7.098 4.851
200 2HB PHE 33 HB1 PHE 33 -3.447 -7.113 3.114
201 HD1 PHE 33 HD1 PHE 33 -3.078 -9.243 1.809
202 HD2 PHE 33 HD2 PHE 33 -3.038 -9.123 6.102
203 HE1 PHE 33 HE1 PHE 33 -3.406 -11.697 1.879
204 HE2 PHE 33 HE2 PHE 33 -3.367 -11.578 6.174
205 HZ PHE 33 HZ PHE 33 -3.553 -12.868 4.063
206 H ILE 34 HN ILE 34 0.678 -5.931 4.511
207 HA ILE 34 HA ILE 34 -0.695 -3.305 4.332
208 HB ILE 34 HB ILE 34 2.110 -3.747 5.347
209 1HG1 ILE 34 HG12 ILE 34 0.725 -5.223 6.677
210 2HG1 ILE 34 HG11 ILE 34 1.044 -3.774 7.638
211 1HG2 ILE 34 HG21 ILE 34 1.081 -1.447 4.721
212 2HG2 ILE 34 HG23 ILE 34 0.073 -1.653 6.153
213 3HG2 ILE 34 HG22 ILE 34 1.828 -1.586 6.311
214 1HD1 ILE 34 HD13 ILE 34 -1.406 -3.920 5.900
215 2HD1 ILE 34 HD12 ILE 34 -1.400 -4.677 7.488
216 3HD1 ILE 34 HD11 ILE 34 -1.115 -2.945 7.339
217 H CYS 35 HN CYS 35 -0.415 -2.123 2.578
218 HA CYS 35 HA CYS 35 1.809 -2.810 0.748
219 1HB CYS 35 HB2 CYS 35 -0.167 -2.293 -0.463
220 2HB CYS 35 HB1 CYS 35 -0.499 -0.866 0.523
221 H THR 36 HN THR 36 3.591 -1.437 0.425
222 HA THR 36 HA THR 36 4.955 0.482 0.727
223 HB THR 36 HB THR 36 3.002 1.294 2.865
224 HG1 THR 36 HG1 THR 36 2.150 2.612 1.351
225 1HG2 THR 36 HG21 THR 36 5.398 2.122 3.014
226 2HG2 THR 36 HG23 THR 36 5.110 2.945 1.482
227 3HG2 THR 36 HG22 THR 36 4.166 3.379 2.907
228 H ASP 37 HN ASP 37 6.812 0.228 1.785
229 HA ASP 37 HA ASP 37 6.755 -0.994 4.481
230 1HB ASP 37 HB2 ASP 37 7.818 -2.120 2.034
231 2HB ASP 37 HB1 ASP 37 9.086 -1.942 3.248
232 H ILE 38 HN ILE 38 7.725 1.563 2.609
233 HA ILE 38 HA ILE 38 9.606 3.026 2.659
234 HB ILE 38 HB ILE 38 9.511 4.302 4.756
235 1HG1 ILE 38 HG12 ILE 38 7.408 2.723 6.014
236 2HG1 ILE 38 HG11 ILE 38 8.917 1.817 5.903
237 1HG2 ILE 38 HG23 ILE 38 7.541 4.020 2.921
238 2HG2 ILE 38 HG22 ILE 38 6.665 3.544 4.375
239 3HG2 ILE 38 HG21 ILE 38 7.429 5.131 4.286
240 1HD1 ILE 38 HD12 ILE 38 10.007 4.036 6.769
241 2HD1 ILE 38 HD11 ILE 38 8.374 4.411 7.318
242 3HD1 ILE 38 HD13 ILE 38 9.196 2.971 7.918
243 H ASP 39 HN ASP 39 11.394 1.567 2.309
244 HA ASP 39 HA ASP 39 12.855 0.839 4.817
245 1HB ASP 39 HB2 ASP 39 12.193 -0.729 2.567
246 2HB ASP 39 HB1 ASP 39 13.924 -0.401 2.428
247 H GLU 40 HN GLU 40 15.392 0.558 3.925
248 HA GLU 40 HA GLU 40 16.379 3.204 3.736
249 1HB GLU 40 HB2 GLU 40 17.493 0.676 4.020
250 2HB GLU 40 HB1 GLU 40 18.123 1.226 2.467
251 1HG GLU 40 HG2 GLU 40 18.161 3.331 4.499
252 2HG GLU 40 HG1 GLU 40 19.131 1.931 4.957
No H/Q in entry = 252
Start of MODEL 5
1 1H GLN 1 HT2 GLN 1 -3.620 4.466 -6.825
2 2H GLN 1 HT1 GLN 1 -3.648 5.727 -7.964
3 3H GLN 1 HT3 GLN 1 -4.113 4.161 -8.422
4 HA GLN 1 HA GLN 1 -1.925 3.333 -8.255
5 1HB GLN 1 HB2 GLN 1 -2.342 5.915 -9.697
6 2HB GLN 1 HB1 GLN 1 -0.695 5.291 -9.601
7 1HG GLN 1 HG2 GLN 1 -2.808 3.328 -10.322
8 2HG GLN 1 HG1 GLN 1 -2.418 4.545 -11.538
9 1HE2 GLN 1 HE22 GLN 1 0.816 2.323 -10.309
10 2HE2 GLN 1 HE21 GLN 1 -0.229 2.983 -9.146
11 H MET 2 HN MET 2 -1.177 3.313 -6.068
12 HA MET 2 HA MET 2 0.974 5.184 -5.531
13 1HB MET 2 HB2 MET 2 -1.686 5.594 -4.292
14 2HB MET 2 HB1 MET 2 -0.318 5.637 -3.179
15 1HG MET 2 HG2 MET 2 0.788 7.214 -4.904
16 2HG MET 2 HG1 MET 2 -0.830 7.384 -5.585
17 1HE MET 2 HE2 MET 2 -2.855 7.674 -4.156
18 2HE MET 2 HE1 MET 2 -2.956 9.040 -3.048
19 3HE MET 2 HE3 MET 2 -2.450 9.291 -4.725
20 H PHE 3 HN PHE 3 1.929 4.675 -3.287
21 HA PHE 3 HA PHE 3 1.699 1.734 -2.861
22 1HB PHE 3 HB2 PHE 3 3.862 2.479 -1.371
23 2HB PHE 3 HB1 PHE 3 3.955 1.969 -3.054
24 HD1 PHE 3 HD1 PHE 3 3.390 5.030 -0.961
25 HD2 PHE 3 HD2 PHE 3 4.891 3.407 -4.644
26 HE1 PHE 3 HE1 PHE 3 4.259 7.266 -1.593
27 HE2 PHE 3 HE2 PHE 3 5.760 5.642 -5.276
28 HZ PHE 3 HZ PHE 3 5.443 7.572 -3.751
29 H CYS 4 HN CYS 4 0.074 1.455 -1.342
30 HA CYS 4 HA CYS 4 -1.090 1.645 0.665
31 1HB CYS 4 HB2 CYS 4 1.478 1.123 1.367
32 2HB CYS 4 HB1 CYS 4 1.263 2.684 2.156
33 H ASN 5 HN ASN 5 -1.323 3.861 -0.996
34 HA ASN 5 HA ASN 5 -2.077 6.068 -0.967
35 1HB ASN 5 HB2 ASN 5 -3.577 5.299 0.777
36 2HB ASN 5 HB1 ASN 5 -2.297 5.429 1.987
37 1HD2 ASN 5 HD22 ASN 5 -2.846 8.868 2.527
38 2HD2 ASN 5 HD21 ASN 5 -2.056 7.438 3.017
39 H GLN 6 HN GLN 6 -0.677 6.323 2.244
40 HA GLN 6 HA GLN 6 1.389 8.166 1.100
41 1HB GLN 6 HB2 GLN 6 -0.416 9.225 2.524
42 2HB GLN 6 HB1 GLN 6 0.200 8.280 3.881
43 1HG GLN 6 HG2 GLN 6 2.341 9.356 3.772
44 2HG GLN 6 HG1 GLN 6 1.947 10.121 2.232
45 1HE2 GLN 6 HE22 GLN 6 -0.340 12.493 3.813
46 2HE2 GLN 6 HE21 GLN 6 -0.253 11.496 2.432
47 H THR 7 HN THR 7 3.466 8.110 2.053
48 HA THR 7 HA THR 7 5.335 6.801 2.691
49 HB THR 7 HB THR 7 3.619 6.957 5.183
50 HG1 THR 7 HG1 THR 7 4.263 8.932 4.151
51 1HG2 THR 7 HG22 THR 7 6.377 5.940 4.671
52 2HG2 THR 7 HG21 THR 7 6.114 6.888 6.135
53 3HG2 THR 7 HG23 THR 7 5.188 5.412 5.862
54 H ALA 8 HN ALA 8 3.099 5.189 4.880
55 HA ALA 8 HA ALA 8 2.947 2.769 3.269
56 1HB ALA 8 HB2 ALA 8 4.972 3.022 5.461
57 2HB ALA 8 HB1 ALA 8 4.153 1.476 5.243
58 3HB ALA 8 HB3 ALA 8 5.090 2.171 3.921
59 H CYS 9 HN CYS 9 0.693 3.256 3.791
60 HA CYS 9 HA CYS 9 -0.285 3.267 6.512
61 1HB CYS 9 HB2 CYS 9 -2.502 2.869 5.454
62 2HB CYS 9 HB1 CYS 9 -1.633 4.197 4.697
63 HA PRO 10 HA PRO 10 -0.669 -1.161 6.699
64 1HB PRO 10 HB2 PRO 10 -3.262 -1.370 7.901
65 2HB PRO 10 HB1 PRO 10 -1.696 -1.270 8.722
66 1HG PRO 10 HG2 PRO 10 -3.718 0.821 8.362
67 2HG PRO 10 HG1 PRO 10 -2.312 0.804 9.439
68 1HD PRO 10 HD2 PRO 10 -2.570 2.368 7.168
69 2HD PRO 10 HD1 PRO 10 -1.037 1.971 7.970
70 H ALA 11 HN ALA 11 -2.311 0.177 4.423
71 HA ALA 11 HA ALA 11 -3.447 -0.617 2.526
72 1HB ALA 11 HB2 ALA 11 -2.167 -2.981 3.719
73 2HB ALA 11 HB1 ALA 11 -3.589 -3.358 2.746
74 3HB ALA 11 HB3 ALA 11 -2.241 -2.472 2.032
75 H ASP 12 HN ASP 12 -5.452 0.314 3.424
76 HA ASP 12 HA ASP 12 -7.224 -1.655 4.759
77 1HB ASP 12 HB2 ASP 12 -6.815 1.047 5.234
78 2HB ASP 12 HB1 ASP 12 -8.335 1.017 4.334
79 H CYS 13 HN CYS 13 -6.500 -0.652 1.740
80 HA CYS 13 HA CYS 13 -7.691 -0.506 -0.305
81 1HB CYS 13 HB2 CYS 13 -9.338 -2.848 0.215
82 2HB CYS 13 HB1 CYS 13 -8.011 -2.649 -0.928
83 H ASP 14 HN ASP 14 -8.947 1.410 0.583
84 HA ASP 14 HA ASP 14 -11.668 0.893 1.516
85 1HB ASP 14 HB2 ASP 14 -9.927 3.079 1.584
86 2HB ASP 14 HB1 ASP 14 -11.205 3.575 0.469
87 HA PRO 15 HA PRO 15 -13.644 0.418 -2.322
88 1HB PRO 15 HB2 PRO 15 -15.864 2.146 -1.728
89 2HB PRO 15 HB1 PRO 15 -15.824 0.378 -1.700
90 1HG PRO 15 HG2 PRO 15 -15.929 2.169 0.551
91 2HG PRO 15 HG1 PRO 15 -15.884 0.401 0.571
92 1HD PRO 15 HD2 PRO 15 -13.779 2.226 1.294
93 2HD PRO 15 HD1 PRO 15 -13.736 0.453 1.306
94 H ASN 16 HN ASN 16 -12.934 3.556 -1.001
95 HA ASN 16 HA ASN 16 -13.139 4.739 -3.743
96 1HB ASN 16 HB2 ASN 16 -13.542 5.881 -0.997
97 2HB ASN 16 HB1 ASN 16 -12.986 6.940 -2.294
98 1HD2 ASN 16 HD22 ASN 16 -16.869 6.144 -2.112
99 2HD2 ASN 16 HD21 ASN 16 -15.780 5.995 -0.808
100 H THR 17 HN THR 17 -10.886 3.158 -2.855
101 HA THR 17 HA THR 17 -8.732 4.821 -3.654
102 HB THR 17 HB THR 17 -9.113 5.922 -1.458
103 HG1 THR 17 HG1 THR 17 -6.781 4.394 -1.876
104 1HG2 THR 17 HG22 THR 17 -9.590 3.300 -0.603
105 2HG2 THR 17 HG21 THR 17 -8.069 3.752 0.167
106 3HG2 THR 17 HG23 THR 17 -9.510 4.738 0.415
107 H GLN 18 HN GLN 18 -8.652 2.708 -4.797
108 HA GLN 18 HA GLN 18 -7.995 0.291 -3.340
109 1HB GLN 18 HB2 GLN 18 -7.256 0.723 -6.221
110 2HB GLN 18 HB1 GLN 18 -7.861 -0.736 -5.435
111 1HG GLN 18 HG2 GLN 18 -10.006 0.707 -5.002
112 2HG GLN 18 HG1 GLN 18 -9.382 1.702 -6.318
113 1HE2 GLN 18 HE22 GLN 18 -11.546 -1.012 -7.772
114 2HE2 GLN 18 HE21 GLN 18 -11.810 0.228 -6.631
115 H ALA 19 HN ALA 19 -6.236 3.076 -3.872
116 HA ALA 19 HA ALA 19 -3.672 2.311 -4.653
117 1HB ALA 19 HB3 ALA 19 -4.830 4.501 -3.233
118 2HB ALA 19 HB2 ALA 19 -3.395 3.985 -2.346
119 3HB ALA 19 HB1 ALA 19 -3.266 4.440 -4.045
120 H SER 20 HN SER 20 -5.036 2.110 -1.352
121 HA SER 20 HA SER 20 -2.740 0.870 -0.173
122 1HB SER 20 HB2 SER 20 -5.604 1.240 0.547
123 2HB SER 20 HB1 SER 20 -4.769 -0.082 1.354
124 HG SER 20 HG SER 20 -3.511 2.414 1.150
125 H CYS 21 HN CYS 21 -2.580 -1.439 0.492
126 HA CYS 21 HA CYS 21 -2.402 -3.673 -0.239
127 1HB CYS 21 HB2 CYS 21 -5.187 -3.948 -1.074
128 2HB CYS 21 HB1 CYS 21 -4.328 -4.750 0.242
129 H GLU 22 HN GLU 22 -3.535 -5.129 -2.306
130 HA GLU 22 HA GLU 22 -3.084 -5.393 -4.629
131 1HB GLU 22 HB2 GLU 22 -4.132 -2.776 -5.404
132 2HB GLU 22 HB1 GLU 22 -4.777 -4.378 -5.758
133 1HG GLU 22 HG2 GLU 22 -5.546 -4.345 -3.259
134 2HG GLU 22 HG1 GLU 22 -5.333 -2.600 -3.396
135 H CYS 23 HN CYS 23 -1.151 -4.111 -2.938
136 HA CYS 23 HA CYS 23 0.232 -1.969 -3.296
137 1HB CYS 23 HB2 CYS 23 1.218 -4.768 -3.602
138 2HB CYS 23 HB1 CYS 23 2.353 -3.442 -3.868
139 HA PRO 24 HA PRO 24 0.718 -0.200 -7.231
140 1HB PRO 24 HB2 PRO 24 3.629 -0.270 -6.502
141 2HB PRO 24 HB1 PRO 24 2.655 1.094 -7.086
142 1HG PRO 24 HG2 PRO 24 3.380 0.802 -4.470
143 2HG PRO 24 HG1 PRO 24 1.893 1.626 -4.966
144 1HD PRO 24 HD2 PRO 24 2.197 -0.977 -3.643
145 2HD PRO 24 HD1 PRO 24 0.744 0.025 -3.816
146 H GLU 25 HN GLU 25 1.638 -0.817 -9.321
147 HA GLU 25 HA GLU 25 1.983 -3.650 -9.662
148 1HB GLU 25 HB2 GLU 25 1.925 -1.274 -11.364
149 2HB GLU 25 HB1 GLU 25 3.134 -2.440 -11.903
150 1HG GLU 25 HG2 GLU 25 1.483 -4.203 -12.017
151 2HG GLU 25 HG1 GLU 25 0.264 -3.172 -11.267
152 H GLY 26 HN GLY 26 3.680 -4.187 -8.186
153 1HA GLY 26 HA2 GLY 26 6.096 -4.875 -8.663
154 2HA GLY 26 HA1 GLY 26 6.372 -3.153 -8.950
155 H TYR 27 HN TYR 27 4.429 -2.461 -6.702
156 HA TYR 27 HA TYR 27 6.338 -2.174 -4.645
157 1HB TYR 27 HB2 TYR 27 3.598 -1.476 -4.935
158 2HB TYR 27 HB1 TYR 27 3.768 -2.340 -3.400
159 HD1 TYR 27 HD2 TYR 27 5.759 0.129 -5.413
160 HD2 TYR 27 HD1 TYR 27 4.282 -1.020 -1.545
161 HE1 TYR 27 HE2 TYR 27 6.844 2.119 -4.411
162 HE2 TYR 27 HE1 TYR 27 5.370 0.973 -0.549
163 HH TYR 27 HH TYR 27 6.971 2.582 -0.935
164 H ILE 28 HN ILE 28 3.753 -4.586 -5.035
165 HA ILE 28 HA ILE 28 3.537 -6.752 -4.188
166 HB ILE 28 HB ILE 28 6.498 -6.274 -4.020
167 1HG1 ILE 28 HG12 ILE 28 6.094 -8.574 -5.392
168 2HG1 ILE 28 HG11 ILE 28 4.536 -7.783 -5.663
169 1HG2 ILE 28 HG22 ILE 28 4.958 -8.269 -2.478
170 2HG2 ILE 28 HG21 ILE 28 6.260 -8.950 -3.453
171 3HG2 ILE 28 HG23 ILE 28 6.615 -7.708 -2.252
172 1HD1 ILE 28 HD12 ILE 28 7.102 -6.254 -6.042
173 2HD1 ILE 28 HD11 ILE 28 6.492 -7.298 -7.325
174 3HD1 ILE 28 HD13 ILE 28 5.516 -5.947 -6.750
175 H LEU 29 HN LEU 29 2.366 -6.970 -2.370
176 HA LEU 29 HA LEU 29 2.632 -5.439 -0.015
177 1HB LEU 29 HB2 LEU 29 1.176 -7.863 -0.837
178 2HB LEU 29 HB1 LEU 29 1.541 -7.805 0.890
179 HG LEU 29 HG LEU 29 0.296 -5.513 -0.634
180 1HD1 LEU 29 HD13 LEU 29 -0.877 -7.982 0.292
181 2HD1 LEU 29 HD12 LEU 29 -1.540 -6.621 1.198
182 3HD1 LEU 29 HD11 LEU 29 -1.648 -6.645 -0.562
183 1HD2 LEU 29 HD22 LEU 29 0.907 -6.104 2.253
184 2HD2 LEU 29 HD21 LEU 29 1.268 -4.655 1.315
185 3HD2 LEU 29 HD23 LEU 29 -0.388 -4.984 1.823
186 H ASP 30 HN ASP 30 2.781 -7.203 2.126
187 HA ASP 30 HA ASP 30 5.147 -8.877 1.981
188 1HB ASP 30 HB2 ASP 30 6.673 -7.533 3.267
189 2HB ASP 30 HB1 ASP 30 6.110 -6.531 1.929
190 H ASP 31 HN ASP 31 5.844 -9.437 4.365
191 HA ASP 31 HA ASP 31 3.776 -10.663 5.732
192 1HB ASP 31 HB2 ASP 31 6.470 -9.704 6.475
193 2HB ASP 31 HB1 ASP 31 5.366 -9.920 7.833
194 H GLY 32 HN GLY 32 1.869 -9.662 6.242
195 1HA GLY 32 HA2 GLY 32 0.932 -8.295 8.171
196 2HA GLY 32 HA1 GLY 32 2.046 -7.031 7.652
197 H PHE 33 HN PHE 33 1.020 -8.540 4.900
198 HA PHE 33 HA PHE 33 -0.375 -7.774 3.176
199 1HB PHE 33 HB2 PHE 33 -2.014 -8.080 5.597
200 2HB PHE 33 HB1 PHE 33 -2.698 -6.951 4.422
201 HD1 PHE 33 HD1 PHE 33 -0.575 -9.964 3.816
202 HD2 PHE 33 HD2 PHE 33 -4.452 -8.163 3.405
203 HE1 PHE 33 HE1 PHE 33 -1.309 -11.867 2.406
204 HE2 PHE 33 HE2 PHE 33 -5.187 -10.066 1.995
205 HZ PHE 33 HZ PHE 33 -3.615 -11.918 1.496
206 H ILE 34 HN ILE 34 1.299 -5.809 4.861
207 HA ILE 34 HA ILE 34 -0.274 -3.327 4.399
208 HB ILE 34 HB ILE 34 2.488 -3.540 5.613
209 1HG1 ILE 34 HG12 ILE 34 1.024 -4.883 7.007
210 2HG1 ILE 34 HG11 ILE 34 1.257 -3.327 7.813
211 1HG2 ILE 34 HG21 ILE 34 0.501 -1.419 5.062
212 2HG2 ILE 34 HG23 ILE 34 1.191 -1.365 6.684
213 3HG2 ILE 34 HG22 ILE 34 2.246 -1.290 5.273
214 1HD1 ILE 34 HD12 ILE 34 -0.920 -2.998 6.056
215 2HD1 ILE 34 HD11 ILE 34 -1.193 -4.524 6.886
216 3HD1 ILE 34 HD13 ILE 34 -0.970 -3.040 7.813
217 H CYS 35 HN CYS 35 0.296 -1.890 2.827
218 HA CYS 35 HA CYS 35 2.277 -2.869 0.872
219 1HB CYS 35 HB2 CYS 35 -0.062 -1.757 0.378
220 2HB CYS 35 HB1 CYS 35 0.843 -0.255 0.558
221 H THR 36 HN THR 36 4.323 -2.024 0.686
222 HA THR 36 HA THR 36 5.156 0.606 1.218
223 HB THR 36 HB THR 36 4.518 0.420 3.505
224 HG1 THR 36 HG1 THR 36 6.617 1.215 3.267
225 1HG2 THR 36 HG21 THR 36 4.188 -2.027 3.480
226 2HG2 THR 36 HG23 THR 36 5.936 -2.256 3.507
227 3HG2 THR 36 HG22 THR 36 5.122 -1.518 4.887
228 H ASP 37 HN ASP 37 7.643 0.603 1.814
229 HA ASP 37 HA ASP 37 8.941 -1.889 0.835
230 1HB ASP 37 HB2 ASP 37 8.540 0.120 -0.912
231 2HB ASP 37 HB1 ASP 37 10.043 0.683 -0.180
232 H ILE 38 HN ILE 38 9.187 1.207 2.514
233 HA ILE 38 HA ILE 38 11.655 0.172 3.840
234 HB ILE 38 HB ILE 38 12.622 2.306 3.790
235 1HG1 ILE 38 HG12 ILE 38 9.801 3.337 3.353
236 2HG1 ILE 38 HG11 ILE 38 10.847 3.625 4.748
237 1HG2 ILE 38 HG22 ILE 38 12.051 1.208 1.471
238 2HG2 ILE 38 HG21 ILE 38 10.955 2.579 1.304
239 3HG2 ILE 38 HG23 ILE 38 12.684 2.854 1.517
240 1HD1 ILE 38 HD12 ILE 38 11.503 4.533 1.930
241 2HD1 ILE 38 HD11 ILE 38 10.741 5.562 3.143
242 3HD1 ILE 38 HD13 ILE 38 12.372 4.947 3.408
243 H ASP 39 HN ASP 39 11.507 0.015 6.041
244 HA ASP 39 HA ASP 39 9.423 1.626 7.434
245 1HB ASP 39 HB2 ASP 39 8.983 -0.481 8.840
246 2HB ASP 39 HB1 ASP 39 8.322 -0.472 7.201
247 H GLU 40 HN GLU 40 10.430 2.732 9.033
248 HA GLU 40 HA GLU 40 13.111 1.983 9.910
249 1HB GLU 40 HB2 GLU 40 11.470 4.322 9.981
250 2HB GLU 40 HB1 GLU 40 11.951 3.947 11.636
251 1HG GLU 40 HG2 GLU 40 13.787 4.298 9.249
252 2HG GLU 40 HG1 GLU 40 13.658 5.363 10.649
No H/Q in entry = 252
Start of MODEL 6
1 1H GLN 1 HT1 GLN 1 1.929 4.944 -6.559
2 2H GLN 1 HT3 GLN 1 1.050 4.590 -7.965
3 3H GLN 1 HT2 GLN 1 2.228 5.814 -7.987
4 HA GLN 1 HA GLN 1 0.948 7.229 -6.623
5 1HB GLN 1 HB2 GLN 1 0.225 6.584 -9.141
6 2HB GLN 1 HB1 GLN 1 -1.251 6.122 -8.293
7 1HG GLN 1 HG2 GLN 1 -1.104 8.420 -7.143
8 2HG GLN 1 HG1 GLN 1 0.077 8.832 -8.387
9 1HE2 GLN 1 HE22 GLN 1 -3.252 9.833 -9.710
10 2HE2 GLN 1 HE21 GLN 1 -2.261 10.309 -8.416
11 H MET 2 HN MET 2 0.369 3.951 -6.145
12 HA MET 2 HA MET 2 -1.660 4.604 -4.057
13 1HB MET 2 HB2 MET 2 -1.785 2.046 -5.656
14 2HB MET 2 HB1 MET 2 -3.035 2.769 -4.642
15 1HG MET 2 HG2 MET 2 -2.679 4.785 -6.400
16 2HG MET 2 HG1 MET 2 -2.250 3.422 -7.434
17 1HE MET 2 HE3 MET 2 -3.725 1.308 -7.758
18 2HE MET 2 HE2 MET 2 -3.895 1.133 -6.014
19 3HE MET 2 HE1 MET 2 -5.325 1.073 -7.041
20 H PHE 3 HN PHE 3 0.784 4.504 -3.149
21 HA PHE 3 HA PHE 3 1.371 1.686 -2.373
22 1HB PHE 3 HB2 PHE 3 3.472 3.216 -1.416
23 2HB PHE 3 HB1 PHE 3 3.472 2.304 -2.922
24 HD1 PHE 3 HD1 PHE 3 2.346 5.615 -1.561
25 HD2 PHE 3 HD2 PHE 3 3.909 3.434 -4.913
26 HE1 PHE 3 HE1 PHE 3 2.559 7.731 -2.838
27 HE2 PHE 3 HE2 PHE 3 4.119 5.548 -6.192
28 HZ PHE 3 HZ PHE 3 3.444 7.697 -5.154
29 H CYS 4 HN CYS 4 -0.742 2.438 -0.999
30 HA CYS 4 HA CYS 4 -1.625 3.188 1.056
31 1HB CYS 4 HB2 CYS 4 0.269 1.040 1.332
32 2HB CYS 4 HB1 CYS 4 0.280 2.028 2.796
33 H ASN 5 HN ASN 5 -1.482 5.342 1.398
34 HA ASN 5 HA ASN 5 -0.546 7.429 2.005
35 1HB ASN 5 HB2 ASN 5 -0.482 5.483 4.172
36 2HB ASN 5 HB1 ASN 5 0.711 6.768 4.392
37 1HD2 ASN 5 HD22 ASN 5 -3.287 7.720 4.426
38 2HD2 ASN 5 HD21 ASN 5 -2.783 6.230 3.765
39 H GLN 6 HN GLN 6 1.161 6.790 0.128
40 HA GLN 6 HA GLN 6 3.438 6.700 -0.549
41 1HB GLN 6 HB2 GLN 6 3.184 9.047 -0.221
42 2HB GLN 6 HB1 GLN 6 3.248 8.880 1.533
43 1HG GLN 6 HG2 GLN 6 5.514 8.861 1.563
44 2HG GLN 6 HG1 GLN 6 5.609 7.785 0.168
45 1HE2 GLN 6 HE22 GLN 6 6.673 10.491 -1.817
46 2HE2 GLN 6 HE21 GLN 6 6.903 8.870 -1.336
47 H THR 7 HN THR 7 4.424 7.738 2.635
48 HA THR 7 HA THR 7 6.554 6.067 3.024
49 HB THR 7 HB THR 7 4.645 6.516 5.313
50 HG1 THR 7 HG1 THR 7 6.410 8.435 4.208
51 1HG2 THR 7 HG23 THR 7 7.649 6.467 4.960
52 2HG2 THR 7 HG22 THR 7 6.865 7.025 6.438
53 3HG2 THR 7 HG21 THR 7 6.658 5.356 5.905
54 H ALA 8 HN ALA 8 3.217 5.236 4.039
55 HA ALA 8 HA ALA 8 3.301 2.564 3.150
56 1HB ALA 8 HB2 ALA 8 4.213 2.888 6.023
57 2HB ALA 8 HB1 ALA 8 3.708 1.358 5.307
58 3HB ALA 8 HB3 ALA 8 5.138 2.187 4.698
59 H CYS 9 HN CYS 9 1.763 1.156 4.727
60 HA CYS 9 HA CYS 9 -0.149 2.171 6.426
61 1HB CYS 9 HB2 CYS 9 -1.276 3.757 5.279
62 2HB CYS 9 HB1 CYS 9 -0.413 3.379 3.795
63 HA PRO 10 HA PRO 10 -1.607 -1.873 6.380
64 1HB PRO 10 HB2 PRO 10 -4.413 -1.104 6.057
65 2HB PRO 10 HB1 PRO 10 -3.607 -1.845 7.448
66 1HG PRO 10 HG2 PRO 10 -4.426 0.867 7.210
67 2HG PRO 10 HG1 PRO 10 -3.426 0.171 8.496
68 1HD PRO 10 HD2 PRO 10 -2.621 1.991 6.420
69 2HD PRO 10 HD1 PRO 10 -1.626 1.296 7.715
70 H ALA 11 HN ALA 11 -4.219 -2.570 4.996
71 HA ALA 11 HA ALA 11 -3.627 -2.057 2.164
72 1HB ALA 11 HB2 ALA 11 -3.430 -4.853 3.323
73 2HB ALA 11 HB1 ALA 11 -3.402 -4.461 1.603
74 3HB ALA 11 HB3 ALA 11 -2.097 -3.910 2.654
75 H ASP 12 HN ASP 12 -5.864 -1.302 3.540
76 HA ASP 12 HA ASP 12 -7.953 -3.348 3.096
77 1HB ASP 12 HB2 ASP 12 -8.135 -2.012 5.131
78 2HB ASP 12 HB1 ASP 12 -8.074 -0.517 4.190
79 H CYS 13 HN CYS 13 -8.057 -3.498 0.820
80 HA CYS 13 HA CYS 13 -8.042 -1.252 -0.950
81 1HB CYS 13 HB2 CYS 13 -9.059 -4.084 -1.212
82 2HB CYS 13 HB1 CYS 13 -9.247 -2.914 -2.522
83 H ASP 14 HN ASP 14 -9.479 0.302 -0.023
84 HA ASP 14 HA ASP 14 -12.318 -0.409 0.297
85 1HB ASP 14 HB2 ASP 14 -10.687 1.436 1.520
86 2HB ASP 14 HB1 ASP 14 -11.576 2.441 0.370
87 HA PRO 15 HA PRO 15 -13.499 0.836 -3.696
88 1HB PRO 15 HB2 PRO 15 -15.999 2.021 -2.918
89 2HB PRO 15 HB1 PRO 15 -15.725 0.413 -3.604
90 1HG PRO 15 HG2 PRO 15 -16.433 1.075 -0.890
91 2HG PRO 15 HG1 PRO 15 -16.170 -0.530 -1.585
92 1HD PRO 15 HD2 PRO 15 -14.462 0.898 0.235
93 2HD PRO 15 HD1 PRO 15 -14.190 -0.700 -0.485
94 H ASN 16 HN ASN 16 -14.169 3.245 -1.148
95 HA ASN 16 HA ASN 16 -14.058 5.477 -3.025
96 1HB ASN 16 HB2 ASN 16 -13.920 5.474 0.006
97 2HB ASN 16 HB1 ASN 16 -14.222 6.879 -1.017
98 1HD2 ASN 16 HD22 ASN 16 -17.285 4.418 -0.082
99 2HD2 ASN 16 HD21 ASN 16 -15.730 4.227 0.592
100 H THR 17 HN THR 17 -11.715 3.520 -1.595
101 HA THR 17 HA THR 17 -9.602 5.401 -2.415
102 HB THR 17 HB THR 17 -10.083 5.977 -0.025
103 HG1 THR 17 HG1 THR 17 -7.880 5.680 0.635
104 1HG2 THR 17 HG21 THR 17 -9.830 3.049 0.198
105 2HG2 THR 17 HG23 THR 17 -8.953 3.952 1.433
106 3HG2 THR 17 HG22 THR 17 -10.690 4.188 1.234
107 H GLN 18 HN GLN 18 -10.084 3.158 -3.760
108 HA GLN 18 HA GLN 18 -9.185 0.666 -2.988
109 1HB GLN 18 HB2 GLN 18 -9.644 1.933 -5.430
110 2HB GLN 18 HB1 GLN 18 -7.961 1.413 -5.531
111 1HG GLN 18 HG2 GLN 18 -8.509 -0.799 -5.541
112 2HG GLN 18 HG1 GLN 18 -9.818 -0.580 -4.379
113 1HE2 GLN 18 HE22 GLN 18 -10.918 0.619 -8.137
114 2HE2 GLN 18 HE21 GLN 18 -9.528 1.281 -7.402
115 H ALA 19 HN ALA 19 -7.252 3.559 -3.387
116 HA ALA 19 HA ALA 19 -4.666 2.569 -3.674
117 1HB ALA 19 HB3 ALA 19 -5.530 5.013 -3.262
118 2HB ALA 19 HB2 ALA 19 -5.212 4.645 -1.567
119 3HB ALA 19 HB1 ALA 19 -3.901 4.578 -2.745
120 H SER 20 HN SER 20 -3.853 0.809 -2.635
121 HA SER 20 HA SER 20 -3.095 0.695 0.021
122 1HB SER 20 HB2 SER 20 -4.940 -0.859 0.944
123 2HB SER 20 HB1 SER 20 -5.293 0.863 0.872
124 HG SER 20 HG SER 20 -6.666 0.526 -0.722
125 H CYS 21 HN CYS 21 -4.799 -2.142 -0.368
126 HA CYS 21 HA CYS 21 -2.497 -3.729 -0.793
127 1HB CYS 21 HB2 CYS 21 -4.519 -5.292 -1.920
128 2HB CYS 21 HB1 CYS 21 -3.973 -5.333 -0.247
129 H GLU 22 HN GLU 22 -3.048 -5.437 -3.019
130 HA GLU 22 HA GLU 22 -2.473 -5.488 -5.311
131 1HB GLU 22 HB2 GLU 22 -3.595 -2.811 -5.886
132 2HB GLU 22 HB1 GLU 22 -3.960 -4.362 -6.640
133 1HG GLU 22 HG2 GLU 22 -5.143 -4.894 -4.365
134 2HG GLU 22 HG1 GLU 22 -5.146 -3.142 -4.162
135 H CYS 23 HN CYS 23 -0.938 -4.092 -3.195
136 HA CYS 23 HA CYS 23 0.452 -2.018 -3.155
137 1HB CYS 23 HB2 CYS 23 1.501 -4.714 -3.738
138 2HB CYS 23 HB1 CYS 23 2.649 -3.394 -3.942
139 HA PRO 24 HA PRO 24 0.494 0.714 -6.699
140 1HB PRO 24 HB2 PRO 24 3.416 0.220 -6.332
141 2HB PRO 24 HB1 PRO 24 2.542 1.757 -6.475
142 1HG PRO 24 HG2 PRO 24 3.464 0.747 -4.097
143 2HG PRO 24 HG1 PRO 24 2.076 1.843 -4.225
144 1HD PRO 24 HD2 PRO 24 2.116 -0.998 -3.529
145 2HD PRO 24 HD1 PRO 24 0.792 0.170 -3.363
146 H GLU 25 HN GLU 25 3.187 0.136 -8.146
147 HA GLU 25 HA GLU 25 2.005 -1.873 -9.966
148 1HB GLU 25 HB2 GLU 25 3.721 -1.145 -11.563
149 2HB GLU 25 HB1 GLU 25 2.843 0.251 -10.938
150 1HG GLU 25 HG2 GLU 25 4.841 0.060 -9.099
151 2HG GLU 25 HG1 GLU 25 5.670 -0.532 -10.539
152 H GLY 26 HN GLY 26 2.537 -3.326 -8.014
153 1HA GLY 26 HA2 GLY 26 3.751 -5.358 -7.654
154 2HA GLY 26 HA1 GLY 26 5.065 -4.717 -8.650
155 H TYR 27 HN TYR 27 3.779 -2.532 -6.313
156 HA TYR 27 HA TYR 27 6.142 -1.911 -5.031
157 1HB TYR 27 HB2 TYR 27 3.647 -1.100 -4.579
158 2HB TYR 27 HB1 TYR 27 3.792 -2.214 -3.216
159 HD1 TYR 27 HD1 TYR 27 5.618 0.577 -4.912
160 HD2 TYR 27 HD2 TYR 27 4.877 -1.527 -1.239
161 HE1 TYR 27 HE1 TYR 27 6.971 2.249 -3.685
162 HE2 TYR 27 HE2 TYR 27 6.232 0.151 -0.016
163 HH TYR 27 HH TYR 27 8.043 2.651 -1.712
164 H ILE 28 HN ILE 28 4.139 -4.744 -4.532
165 HA ILE 28 HA ILE 28 4.724 -6.808 -3.586
166 HB ILE 28 HB ILE 28 7.224 -5.535 -3.951
167 1HG1 ILE 28 HG12 ILE 28 7.949 -8.036 -3.482
168 2HG1 ILE 28 HG11 ILE 28 6.202 -8.305 -3.463
169 1HG2 ILE 28 HG23 ILE 28 6.917 -6.692 -1.170
170 2HG2 ILE 28 HG22 ILE 28 8.477 -6.532 -1.978
171 3HG2 ILE 28 HG21 ILE 28 7.522 -5.095 -1.611
172 1HD1 ILE 28 HD12 ILE 28 7.590 -6.812 -5.698
173 2HD1 ILE 28 HD11 ILE 28 7.343 -8.557 -5.736
174 3HD1 ILE 28 HD13 ILE 28 5.954 -7.471 -5.688
175 H LEU 29 HN LEU 29 3.294 -7.044 -1.929
176 HA LEU 29 HA LEU 29 2.844 -5.318 0.219
177 1HB LEU 29 HB2 LEU 29 2.205 -8.095 -0.433
178 2HB LEU 29 HB1 LEU 29 2.385 -7.834 1.308
179 HG LEU 29 HG LEU 29 0.694 -6.105 -0.511
180 1HD1 LEU 29 HD13 LEU 29 0.096 -8.557 1.097
181 2HD1 LEU 29 HD12 LEU 29 -1.117 -7.278 1.044
182 3HD1 LEU 29 HD11 LEU 29 -0.576 -8.043 -0.451
183 1HD2 LEU 29 HD21 LEU 29 1.258 -6.204 2.448
184 2HD2 LEU 29 HD23 LEU 29 1.281 -4.813 1.364
185 3HD2 LEU 29 HD22 LEU 29 -0.256 -5.527 1.848
186 H ASP 30 HN ASP 30 3.194 -6.340 2.623
187 HA ASP 30 HA ASP 30 5.426 -7.710 3.459
188 1HB ASP 30 HB2 ASP 30 6.217 -5.259 2.100
189 2HB ASP 30 HB1 ASP 30 6.799 -5.290 3.765
190 H ASP 31 HN ASP 31 6.082 -7.157 5.706
191 HA ASP 31 HA ASP 31 5.691 -6.243 7.845
192 1HB ASP 31 HB2 ASP 31 5.123 -4.126 6.191
193 2HB ASP 31 HB1 ASP 31 3.581 -4.362 7.014
194 H GLY 32 HN GLY 32 3.532 -7.789 5.859
195 1HA GLY 32 HA2 GLY 32 2.018 -9.424 6.938
196 2HA GLY 32 HA1 GLY 32 1.636 -8.187 8.134
197 H PHE 33 HN PHE 33 1.424 -8.810 4.633
198 HA PHE 33 HA PHE 33 -0.222 -8.188 3.088
199 1HB PHE 33 HB2 PHE 33 -1.546 -9.248 5.210
200 2HB PHE 33 HB1 PHE 33 -2.241 -7.624 5.181
201 HD1 PHE 33 HD1 PHE 33 -1.080 -9.988 2.505
202 HD2 PHE 33 HD2 PHE 33 -4.302 -7.631 4.091
203 HE1 PHE 33 HE1 PHE 33 -2.500 -10.630 0.576
204 HE2 PHE 33 HE2 PHE 33 -5.722 -8.273 2.162
205 HZ PHE 33 HZ PHE 33 -4.821 -9.773 0.405
206 H ILE 34 HN ILE 34 1.310 -6.107 4.919
207 HA ILE 34 HA ILE 34 -0.469 -3.788 4.358
208 HB ILE 34 HB ILE 34 2.080 -3.944 5.989
209 1HG1 ILE 34 HG12 ILE 34 0.553 -4.942 7.420
210 2HG1 ILE 34 HG11 ILE 34 0.266 -3.246 7.807
211 1HG2 ILE 34 HG23 ILE 34 1.341 -1.754 4.726
212 2HG2 ILE 34 HG22 ILE 34 0.164 -1.635 6.031
213 3HG2 ILE 34 HG21 ILE 34 1.886 -1.662 6.400
214 1HD1 ILE 34 HD13 ILE 34 -1.476 -3.529 5.759
215 2HD1 ILE 34 HD12 ILE 34 -1.470 -5.181 6.362
216 3HD1 ILE 34 HD11 ILE 34 -1.912 -3.852 7.433
217 H CYS 35 HN CYS 35 0.042 -2.431 2.712
218 HA CYS 35 HA CYS 35 2.277 -3.177 0.995
219 1HB CYS 35 HB2 CYS 35 -0.030 -2.252 0.281
220 2HB CYS 35 HB1 CYS 35 0.645 -0.667 0.685
221 H THR 36 HN THR 36 4.288 -2.285 1.006
222 HA THR 36 HA THR 36 5.073 0.335 1.431
223 HB THR 36 HB THR 36 4.160 0.535 3.583
224 HG1 THR 36 HG1 THR 36 6.296 1.084 3.764
225 1HG2 THR 36 HG23 THR 36 4.725 -2.371 3.657
226 2HG2 THR 36 HG22 THR 36 4.821 -1.528 5.204
227 3HG2 THR 36 HG21 THR 36 3.330 -1.478 4.262
228 H ASP 37 HN ASP 37 7.429 0.407 2.465
229 HA ASP 37 HA ASP 37 8.892 -2.127 2.319
230 1HB ASP 37 HB2 ASP 37 8.680 -0.355 0.003
231 2HB ASP 37 HB1 ASP 37 10.354 -0.610 0.498
232 H ILE 38 HN ILE 38 9.477 1.390 1.931
233 HA ILE 38 HA ILE 38 11.925 1.658 3.127
234 HB ILE 38 HB ILE 38 9.994 3.353 2.306
235 1HG1 ILE 38 HG12 ILE 38 12.618 3.509 2.878
236 2HG1 ILE 38 HG11 ILE 38 11.639 4.907 2.445
237 1HG2 ILE 38 HG21 ILE 38 10.068 3.664 5.320
238 2HG2 ILE 38 HG23 ILE 38 9.330 4.805 4.195
239 3HG2 ILE 38 HG22 ILE 38 8.673 3.177 4.359
240 1HD1 ILE 38 HD13 ILE 38 11.819 4.086 5.329
241 2HD1 ILE 38 HD12 ILE 38 13.159 4.975 4.605
242 3HD1 ILE 38 HD11 ILE 38 11.547 5.688 4.644
243 H ASP 39 HN ASP 39 12.735 1.746 5.255
244 HA ASP 39 HA ASP 39 11.752 0.021 7.200
245 1HB ASP 39 HB2 ASP 39 13.270 2.614 7.631
246 2HB ASP 39 HB1 ASP 39 13.077 1.347 8.848
247 H GLU 40 HN GLU 40 10.124 0.100 8.707
248 HA GLU 40 HA GLU 40 8.141 2.202 8.519
249 1HB GLU 40 HB2 GLU 40 8.381 0.108 10.695
250 2HB GLU 40 HB1 GLU 40 6.923 0.955 10.178
251 1HG GLU 40 HG2 GLU 40 8.479 -0.659 8.179
252 2HG GLU 40 HG1 GLU 40 7.387 -1.478 9.296
No H/Q in entry = 252
Start of MODEL 7
1 1H GLN 1 HT3 GLN 1 1.437 1.268 -10.477
2 2H GLN 1 HT2 GLN 1 2.921 1.972 -10.040
3 3H GLN 1 HT1 GLN 1 2.697 0.294 -9.894
4 HA GLN 1 HA GLN 1 2.239 0.718 -7.762
5 1HB GLN 1 HB2 GLN 1 2.071 3.491 -8.834
6 2HB GLN 1 HB1 GLN 1 1.235 3.178 -7.313
7 1HG GLN 1 HG2 GLN 1 4.156 2.611 -7.899
8 2HG GLN 1 HG1 GLN 1 3.530 3.884 -6.849
9 1HE2 GLN 1 HE22 GLN 1 2.130 0.997 -4.743
10 2HE2 GLN 1 HE21 GLN 1 1.348 2.048 -5.823
11 H MET 2 HN MET 2 0.313 0.500 -6.503
12 HA MET 2 HA MET 2 -2.272 1.095 -7.802
13 1HB MET 2 HB2 MET 2 -1.218 -1.678 -7.295
14 2HB MET 2 HB1 MET 2 -2.952 -1.364 -7.219
15 1HG MET 2 HG2 MET 2 -2.465 -0.127 -9.528
16 2HG MET 2 HG1 MET 2 -1.104 -1.248 -9.566
17 1HE MET 2 HE3 MET 2 -2.647 -1.134 -11.628
18 2HE MET 2 HE2 MET 2 -3.191 -2.757 -12.043
19 3HE MET 2 HE1 MET 2 -4.369 -1.533 -11.576
20 H PHE 3 HN PHE 3 -0.727 1.841 -5.321
21 HA PHE 3 HA PHE 3 -1.023 1.924 -2.978
22 1HB PHE 3 HB2 PHE 3 -3.392 2.703 -2.486
23 2HB PHE 3 HB1 PHE 3 -2.525 3.631 -3.707
24 HD1 PHE 3 HD2 PHE 3 -3.020 3.313 -6.121
25 HD2 PHE 3 HD1 PHE 3 -5.318 1.370 -3.056
26 HE1 PHE 3 HE2 PHE 3 -4.806 2.823 -7.770
27 HE2 PHE 3 HE1 PHE 3 -7.105 0.882 -4.705
28 HZ PHE 3 HZ PHE 3 -6.849 1.608 -7.062
29 H CYS 4 HN CYS 4 -0.599 -0.440 -2.600
30 HA CYS 4 HA CYS 4 -1.211 -2.571 -1.845
31 1HB CYS 4 HB2 CYS 4 -2.917 -0.599 -0.443
32 2HB CYS 4 HB1 CYS 4 -3.531 -2.259 -0.407
33 H ASN 5 HN ASN 5 -3.461 -4.041 -1.657
34 HA ASN 5 HA ASN 5 -4.569 -3.844 -4.425
35 1HB ASN 5 HB2 ASN 5 -3.361 -5.902 -4.042
36 2HB ASN 5 HB1 ASN 5 -4.272 -6.212 -2.561
37 1HD2 ASN 5 HD22 ASN 5 -5.746 -7.645 -5.954
38 2HD2 ASN 5 HD21 ASN 5 -4.112 -7.229 -5.695
39 H GLN 6 HN GLN 6 -5.945 -5.750 -1.799
40 HA GLN 6 HA GLN 6 -8.619 -5.173 -2.392
41 1HB GLN 6 HB2 GLN 6 -7.480 -6.839 -0.663
42 2HB GLN 6 HB1 GLN 6 -7.865 -5.550 0.478
43 1HG GLN 6 HG2 GLN 6 -10.018 -6.196 0.511
44 2HG GLN 6 HG1 GLN 6 -10.129 -5.959 -1.233
45 1HE2 GLN 6 HE22 GLN 6 -9.591 -9.731 0.263
46 2HE2 GLN 6 HE21 GLN 6 -9.430 -8.375 1.286
47 H THR 7 HN THR 7 -9.940 -4.163 -0.210
48 HA THR 7 HA THR 7 -10.138 -1.448 -0.547
49 HB THR 7 HB THR 7 -10.246 -1.883 2.289
50 HG1 THR 7 HG1 THR 7 -10.501 -3.970 2.252
51 1HG2 THR 7 HG22 THR 7 -11.701 -0.492 0.659
52 2HG2 THR 7 HG21 THR 7 -12.575 -1.998 0.379
53 3HG2 THR 7 HG23 THR 7 -12.513 -1.303 1.999
54 H ALA 8 HN ALA 8 -7.614 -3.158 1.161
55 HA ALA 8 HA ALA 8 -5.660 -1.198 0.855
56 1HB ALA 8 HB1 ALA 8 -7.303 -0.845 3.354
57 2HB ALA 8 HB3 ALA 8 -5.609 -0.361 3.311
58 3HB ALA 8 HB2 ALA 8 -6.767 0.378 2.206
59 H CYS 9 HN CYS 9 -3.723 -2.095 1.447
60 HA CYS 9 HA CYS 9 -3.805 -4.466 3.264
61 1HB CYS 9 HB2 CYS 9 -2.545 -5.744 1.791
62 2HB CYS 9 HB1 CYS 9 -3.558 -4.831 0.676
63 HA PRO 10 HA PRO 10 -0.324 -2.862 5.258
64 1HB PRO 10 HB2 PRO 10 1.295 -5.264 5.157
65 2HB PRO 10 HB1 PRO 10 0.404 -4.587 6.528
66 1HG PRO 10 HG2 PRO 10 -0.293 -6.883 4.966
67 2HG PRO 10 HG1 PRO 10 -1.221 -6.152 6.285
68 1HD PRO 10 HD2 PRO 10 -1.852 -6.133 3.490
69 2HD PRO 10 HD1 PRO 10 -2.738 -5.339 4.808
70 H ALA 11 HN ALA 11 2.387 -3.458 5.092
71 HA ALA 11 HA ALA 11 2.989 -2.649 2.275
72 1HB ALA 11 HB2 ALA 11 3.726 -1.465 4.833
73 2HB ALA 11 HB1 ALA 11 5.143 -1.824 3.845
74 3HB ALA 11 HB3 ALA 11 3.862 -0.792 3.209
75 H ASP 12 HN ASP 12 2.958 -5.264 2.449
76 HA ASP 12 HA ASP 12 5.570 -6.304 3.344
77 1HB ASP 12 HB2 ASP 12 4.707 -8.484 2.708
78 2HB ASP 12 HB1 ASP 12 3.445 -7.631 3.604
79 H CYS 13 HN CYS 13 6.322 -4.524 1.631
80 HA CYS 13 HA CYS 13 6.189 -4.713 -1.096
81 1HB CYS 13 HB2 CYS 13 8.384 -4.025 0.785
82 2HB CYS 13 HB1 CYS 13 8.851 -4.335 -0.892
83 H ASP 14 HN ASP 14 6.420 -6.342 -2.509
84 HA ASP 14 HA ASP 14 7.789 -8.821 -1.682
85 1HB ASP 14 HB2 ASP 14 5.575 -8.271 -3.280
86 2HB ASP 14 HB1 ASP 14 6.832 -8.702 -4.445
87 HA PRO 15 HA PRO 15 11.261 -7.905 -4.168
88 1HB PRO 15 HB2 PRO 15 11.808 -10.587 -5.047
89 2HB PRO 15 HB1 PRO 15 12.535 -9.716 -3.690
90 1HG PRO 15 HG2 PRO 15 10.640 -11.880 -3.578
91 2HG PRO 15 HG1 PRO 15 11.365 -11.000 -2.226
92 1HD PRO 15 HD2 PRO 15 8.655 -10.836 -3.181
93 2HD PRO 15 HD1 PRO 15 9.390 -9.952 -1.831
94 H ASN 16 HN ASN 16 8.590 -9.438 -5.683
95 HA ASN 16 HA ASN 16 9.757 -8.881 -8.381
96 1HB ASN 16 HB2 ASN 16 7.965 -11.001 -7.331
97 2HB ASN 16 HB1 ASN 16 7.560 -10.372 -8.928
98 1HD2 ASN 16 HD22 ASN 16 10.771 -12.799 -8.498
99 2HD2 ASN 16 HD21 ASN 16 9.739 -12.432 -7.190
100 H THR 17 HN THR 17 7.356 -7.965 -6.104
101 HA THR 17 HA THR 17 6.229 -6.071 -8.105
102 HB THR 17 HB THR 17 4.714 -8.077 -7.880
103 HG1 THR 17 HG1 THR 17 3.075 -6.763 -8.082
104 1HG2 THR 17 HG22 THR 17 5.325 -7.794 -5.176
105 2HG2 THR 17 HG21 THR 17 3.656 -7.235 -5.298
106 3HG2 THR 17 HG23 THR 17 4.088 -8.851 -5.857
107 H GLN 18 HN GLN 18 8.044 -5.125 -6.436
108 HA GLN 18 HA GLN 18 7.194 -4.445 -3.793
109 1HB GLN 18 HB2 GLN 18 8.925 -2.644 -3.957
110 2HB GLN 18 HB1 GLN 18 9.530 -4.228 -4.442
111 1HG GLN 18 HG2 GLN 18 8.570 -3.290 -6.821
112 2HG GLN 18 HG1 GLN 18 9.118 -1.794 -6.064
113 1HE2 GLN 18 HE22 GLN 18 12.575 -2.701 -6.149
114 2HE2 GLN 18 HE21 GLN 18 11.429 -1.682 -5.404
115 H ALA 19 HN ALA 19 5.055 -3.661 -3.831
116 HA ALA 19 HA ALA 19 4.811 -0.837 -4.610
117 1HB ALA 19 HB3 ALA 19 3.404 -3.062 -6.033
118 2HB ALA 19 HB2 ALA 19 2.521 -1.562 -5.750
119 3HB ALA 19 HB1 ALA 19 4.025 -1.540 -6.673
120 H SER 20 HN SER 20 4.542 -2.859 -2.243
121 HA SER 20 HA SER 20 1.819 -2.010 -1.401
122 1HB SER 20 HB2 SER 20 3.105 -4.515 -1.253
123 2HB SER 20 HB1 SER 20 3.058 -3.905 0.398
124 HG SER 20 HG SER 20 1.137 -5.094 -0.680
125 H CYS 21 HN CYS 21 5.103 -1.539 -0.875
126 HA CYS 21 HA CYS 21 4.467 0.076 1.524
127 1HB CYS 21 HB2 CYS 21 6.398 -0.555 2.687
128 2HB CYS 21 HB1 CYS 21 5.845 -2.070 1.971
129 H GLU 22 HN GLU 22 6.022 -0.130 -1.477
130 HA GLU 22 HA GLU 22 7.671 2.214 -1.263
131 1HB GLU 22 HB2 GLU 22 6.337 1.133 -3.760
132 2HB GLU 22 HB1 GLU 22 7.755 2.182 -3.698
133 1HG GLU 22 HG2 GLU 22 8.042 -0.269 -2.105
134 2HG GLU 22 HG1 GLU 22 7.835 -0.571 -3.831
135 H CYS 23 HN CYS 23 4.421 1.581 -1.448
136 HA CYS 23 HA CYS 23 2.505 2.823 -1.544
137 1HB CYS 23 HB2 CYS 23 4.554 4.474 -0.180
138 2HB CYS 23 HB1 CYS 23 3.022 5.246 -0.582
139 HA PRO 24 HA PRO 24 2.165 4.599 -5.522
140 1HB PRO 24 HB2 PRO 24 0.089 6.312 -4.300
141 2HB PRO 24 HB1 PRO 24 -0.051 5.169 -5.647
142 1HG PRO 24 HG2 PRO 24 -0.998 4.744 -3.047
143 2HG PRO 24 HG1 PRO 24 -0.761 3.491 -4.278
144 1HD PRO 24 HD2 PRO 24 0.751 3.925 -1.844
145 2HD PRO 24 HD1 PRO 24 0.904 2.602 -3.017
146 H GLU 25 HN GLU 25 4.068 5.859 -5.642
147 HA GLU 25 HA GLU 25 5.467 7.735 -5.313
148 1HB GLU 25 HB2 GLU 25 3.875 8.501 -7.028
149 2HB GLU 25 HB1 GLU 25 2.782 9.057 -5.760
150 1HG GLU 25 HG2 GLU 25 4.578 10.573 -4.927
151 2HG GLU 25 HG1 GLU 25 5.588 10.075 -6.285
152 H GLY 26 HN GLY 26 5.860 7.330 -3.056
153 1HA GLY 26 HA2 GLY 26 5.814 7.860 -0.764
154 2HA GLY 26 HA1 GLY 26 5.570 9.509 -1.349
155 H TYR 27 HN TYR 27 3.245 6.951 -2.009
156 HA TYR 27 HA TYR 27 0.916 8.248 -1.331
157 1HB TYR 27 HB2 TYR 27 1.376 5.738 -2.011
158 2HB TYR 27 HB1 TYR 27 1.197 5.462 -0.278
159 HD1 TYR 27 HD1 TYR 27 -0.493 7.844 -2.630
160 HD2 TYR 27 HD2 TYR 27 -0.927 4.580 0.129
161 HE1 TYR 27 HE1 TYR 27 -2.957 7.978 -2.860
162 HE2 TYR 27 HE2 TYR 27 -3.391 4.714 -0.101
163 HH TYR 27 HH TYR 27 -4.908 6.582 -2.550
164 H ILE 28 HN ILE 28 3.232 6.777 0.879
165 HA ILE 28 HA ILE 28 3.697 7.401 3.100
166 HB ILE 28 HB ILE 28 2.031 9.458 2.354
167 1HG1 ILE 28 HG12 ILE 28 2.777 9.265 5.233
168 2HG1 ILE 28 HG11 ILE 28 4.078 9.105 4.048
169 1HG2 ILE 28 HG21 ILE 28 0.029 8.275 3.215
170 2HG2 ILE 28 HG23 ILE 28 0.798 8.141 4.796
171 3HG2 ILE 28 HG22 ILE 28 0.373 9.727 4.153
172 1HD1 ILE 28 HD11 ILE 28 2.447 11.256 3.178
173 2HD1 ILE 28 HD13 ILE 28 2.715 11.491 4.906
174 3HD1 ILE 28 HD12 ILE 28 4.091 11.341 3.813
175 H LEU 29 HN LEU 29 3.617 5.580 4.291
176 HA LEU 29 HA LEU 29 1.541 3.684 4.330
177 1HB LEU 29 HB2 LEU 29 3.964 4.226 5.875
178 2HB LEU 29 HB1 LEU 29 2.689 3.491 6.854
179 HG LEU 29 HG LEU 29 3.591 2.437 4.168
180 1HD1 LEU 29 HD12 LEU 29 5.320 2.282 6.019
181 2HD1 LEU 29 HD11 LEU 29 4.164 1.297 6.916
182 3HD1 LEU 29 HD13 LEU 29 4.794 0.728 5.371
183 1HD2 LEU 29 HD23 LEU 29 1.711 1.461 6.326
184 2HD2 LEU 29 HD22 LEU 29 1.344 1.769 4.633
185 3HD2 LEU 29 HD21 LEU 29 2.348 0.391 5.077
186 H ASP 30 HN ASP 30 0.505 3.118 6.636
187 HA ASP 30 HA ASP 30 -0.298 4.832 8.591
188 1HB ASP 30 HB2 ASP 30 -2.478 5.827 7.595
189 2HB ASP 30 HB1 ASP 30 -0.955 6.621 7.195
190 H ASP 31 HN ASP 31 -2.706 4.446 9.311
191 HA ASP 31 HA ASP 31 -4.330 2.871 9.917
192 1HB ASP 31 HB2 ASP 31 -4.140 2.821 7.081
193 2HB ASP 31 HB1 ASP 31 -4.281 1.148 7.621
194 H GLY 32 HN GLY 32 -1.302 2.298 10.130
195 1HA GLY 32 HA2 GLY 32 -0.281 0.543 11.397
196 2HA GLY 32 HA1 GLY 32 -1.661 -0.491 11.031
197 H PHE 33 HN PHE 33 1.097 1.088 9.422
198 HA PHE 33 HA PHE 33 2.434 0.353 7.652
199 1HB PHE 33 HB2 PHE 33 1.550 -2.384 8.608
200 2HB PHE 33 HB1 PHE 33 2.952 -2.035 7.593
201 HD1 PHE 33 HD1 PHE 33 3.183 0.729 9.389
202 HD2 PHE 33 HD2 PHE 33 3.310 -3.503 10.120
203 HE1 PHE 33 HE1 PHE 33 4.559 1.120 11.414
204 HE2 PHE 33 HE2 PHE 33 4.685 -3.110 12.146
205 HZ PHE 33 HZ PHE 33 5.310 -0.799 12.792
206 H ILE 34 HN ILE 34 -0.729 0.469 7.443
207 HA ILE 34 HA ILE 34 -0.994 -1.202 5.013
208 HB ILE 34 HB ILE 34 -3.142 0.531 6.253
209 1HG1 ILE 34 HG12 ILE 34 -2.541 -0.950 8.021
210 2HG1 ILE 34 HG11 ILE 34 -3.898 -1.748 7.216
211 1HG2 ILE 34 HG21 ILE 34 -3.185 -0.548 3.842
212 2HG2 ILE 34 HG23 ILE 34 -3.530 -2.033 4.727
213 3HG2 ILE 34 HG22 ILE 34 -4.616 -0.651 4.867
214 1HD1 ILE 34 HD11 ILE 34 -2.129 -2.942 5.784
215 2HD1 ILE 34 HD13 ILE 34 -0.951 -2.370 6.965
216 3HD1 ILE 34 HD12 ILE 34 -2.252 -3.449 7.469
217 H CYS 35 HN CYS 35 0.236 -0.107 3.556
218 HA CYS 35 HA CYS 35 0.638 2.582 3.140
219 1HB CYS 35 HB2 CYS 35 1.598 0.828 1.685
220 2HB CYS 35 HB1 CYS 35 0.015 0.617 0.923
221 H THR 36 HN THR 36 -2.195 0.766 2.007
222 HA THR 36 HA THR 36 -3.558 2.719 0.593
223 HB THR 36 HB THR 36 -5.170 1.256 2.550
224 HG1 THR 36 HG1 THR 36 -4.102 -0.505 2.253
225 1HG2 THR 36 HG23 THR 36 -5.162 1.845 -0.390
226 2HG2 THR 36 HG22 THR 36 -6.171 0.544 0.241
227 3HG2 THR 36 HG21 THR 36 -6.410 2.198 0.805
228 H ASP 37 HN ASP 37 -5.597 3.938 1.505
229 HA ASP 37 HA ASP 37 -4.929 5.131 4.162
230 1HB ASP 37 HB2 ASP 37 -4.068 6.657 2.448
231 2HB ASP 37 HB1 ASP 37 -5.636 6.661 1.640
232 H ILE 38 HN ILE 38 -7.392 5.465 1.584
233 HA ILE 38 HA ILE 38 -9.587 6.204 3.003
234 HB ILE 38 HB ILE 38 -9.198 5.351 0.514
235 1HG1 ILE 38 HG12 ILE 38 -11.322 6.319 2.054
236 2HG1 ILE 38 HG11 ILE 38 -11.208 6.300 0.297
237 1HG2 ILE 38 HG23 ILE 38 -9.079 2.950 1.315
238 2HG2 ILE 38 HG22 ILE 38 -10.804 3.064 1.667
239 3HG2 ILE 38 HG21 ILE 38 -10.228 3.255 0.011
240 1HD1 ILE 38 HD13 ILE 38 -12.338 4.030 1.968
241 2HD1 ILE 38 HD12 ILE 38 -13.314 5.248 1.147
242 3HD1 ILE 38 HD11 ILE 38 -12.327 4.130 0.207
243 H ASP 39 HN ASP 39 -10.335 5.509 4.932
244 HA ASP 39 HA ASP 39 -9.819 2.751 5.820
245 1HB ASP 39 HB2 ASP 39 -11.373 4.907 7.272
246 2HB ASP 39 HB1 ASP 39 -10.586 3.487 7.971
247 H GLU 40 HN GLU 40 -12.778 4.777 5.850
248 HA GLU 40 HA GLU 40 -15.012 4.174 5.452
249 1HB GLU 40 HB2 GLU 40 -13.827 3.460 3.251
250 2HB GLU 40 HB1 GLU 40 -13.974 1.819 3.880
251 1HG GLU 40 HG2 GLU 40 -16.168 1.740 3.374
252 2HG GLU 40 HG1 GLU 40 -16.468 3.280 4.179
No H/Q in entry = 252
Start of MODEL 8
1 1H GLN 1 HT1 GLN 1 1.792 -0.727 -9.352
2 2H GLN 1 HT3 GLN 1 2.407 -0.090 -10.799
3 3H GLN 1 HT2 GLN 1 2.800 0.640 -9.316
4 HA GLN 1 HA GLN 1 1.111 2.020 -9.612
5 1HB GLN 1 HB2 GLN 1 1.258 0.831 -12.068
6 2HB GLN 1 HB1 GLN 1 -0.396 0.432 -11.600
7 1HG GLN 1 HG2 GLN 1 -0.881 2.788 -11.170
8 2HG GLN 1 HG1 GLN 1 0.790 3.222 -11.531
9 1HE2 GLN 1 HE22 GLN 1 -1.763 2.312 -14.610
10 2HE2 GLN 1 HE21 GLN 1 -2.187 1.902 -13.018
11 H MET 2 HN MET 2 0.917 0.151 -7.572
12 HA MET 2 HA MET 2 -2.037 -0.221 -7.437
13 1HB MET 2 HB2 MET 2 -0.244 -2.310 -6.243
14 2HB MET 2 HB1 MET 2 -1.911 -2.458 -6.800
15 1HG MET 2 HG2 MET 2 0.412 -1.950 -8.674
16 2HG MET 2 HG1 MET 2 -0.178 -3.566 -8.290
17 1HE MET 2 HE3 MET 2 -0.785 -4.506 -9.889
18 2HE MET 2 HE2 MET 2 -2.478 -4.490 -10.377
19 3HE MET 2 HE1 MET 2 -1.257 -3.792 -11.438
20 H PHE 3 HN PHE 3 -2.885 0.178 -5.380
21 HA PHE 3 HA PHE 3 -0.941 1.266 -3.402
22 1HB PHE 3 HB2 PHE 3 -3.619 1.699 -2.534
23 2HB PHE 3 HB1 PHE 3 -2.470 2.897 -3.123
24 HD1 PHE 3 HD1 PHE 3 -2.476 3.604 -5.480
25 HD2 PHE 3 HD2 PHE 3 -5.332 0.764 -3.986
26 HE1 PHE 3 HE1 PHE 3 -3.853 3.915 -7.519
27 HE2 PHE 3 HE2 PHE 3 -6.709 1.075 -6.025
28 HZ PHE 3 HZ PHE 3 -5.969 2.651 -7.792
29 H CYS 4 HN CYS 4 -0.265 -0.714 -2.426
30 HA CYS 4 HA CYS 4 -0.440 -2.297 -0.699
31 1HB CYS 4 HB2 CYS 4 -2.464 -0.589 -0.046
32 2HB CYS 4 HB1 CYS 4 -3.377 -2.068 -0.367
33 H ASN 5 HN ASN 5 -0.964 -2.690 -3.614
34 HA ASN 5 HA ASN 5 -1.362 -4.567 -4.961
35 1HB ASN 5 HB2 ASN 5 -1.199 -5.605 -2.277
36 2HB ASN 5 HB1 ASN 5 -2.414 -6.499 -3.197
37 1HD2 ASN 5 HD22 ASN 5 0.098 -7.388 -5.765
38 2HD2 ASN 5 HD21 ASN 5 -1.451 -6.673 -5.726
39 H GLN 6 HN GLN 6 -3.795 -3.051 -3.141
40 HA GLN 6 HA GLN 6 -5.821 -3.358 -5.041
41 1HB GLN 6 HB2 GLN 6 -5.875 -5.740 -4.681
42 2HB GLN 6 HB1 GLN 6 -5.874 -5.532 -2.930
43 1HG GLN 6 HG2 GLN 6 -8.099 -4.937 -2.859
44 2HG GLN 6 HG1 GLN 6 -8.068 -4.223 -4.472
45 1HE2 GLN 6 HE22 GLN 6 -9.954 -7.276 -5.072
46 2HE2 GLN 6 HE21 GLN 6 -10.174 -5.685 -4.497
47 H THR 7 HN THR 7 -5.634 -1.156 -3.947
48 HA THR 7 HA THR 7 -6.735 0.475 -2.673
49 HB THR 7 HB THR 7 -8.493 -1.263 -1.125
50 HG1 THR 7 HG1 THR 7 -8.929 -1.355 -3.892
51 1HG2 THR 7 HG23 THR 7 -8.820 1.156 -1.587
52 2HG2 THR 7 HG22 THR 7 -9.029 0.778 -3.297
53 3HG2 THR 7 HG21 THR 7 -10.194 0.183 -2.114
54 H ALA 8 HN ALA 8 -7.142 -2.213 -0.365
55 HA ALA 8 HA ALA 8 -4.978 -0.976 1.276
56 1HB ALA 8 HB2 ALA 8 -7.241 -0.376 2.140
57 2HB ALA 8 HB1 ALA 8 -7.592 -2.093 2.330
58 3HB ALA 8 HB3 ALA 8 -6.311 -1.345 3.284
59 H CYS 9 HN CYS 9 -4.097 -2.539 2.917
60 HA CYS 9 HA CYS 9 -4.603 -5.344 2.819
61 1HB CYS 9 HB2 CYS 9 -2.927 -6.174 1.337
62 2HB CYS 9 HB1 CYS 9 -3.733 -4.886 0.455
63 HA PRO 10 HA PRO 10 -1.259 -4.180 5.632
64 1HB PRO 10 HB2 PRO 10 0.270 -6.540 5.784
65 2HB PRO 10 HB1 PRO 10 -1.342 -6.290 6.474
66 1HG PRO 10 HG2 PRO 10 -0.620 -7.949 4.230
67 2HG PRO 10 HG1 PRO 10 -2.222 -7.714 4.947
68 1HD PRO 10 HD2 PRO 10 -1.137 -6.607 2.490
69 2HD PRO 10 HD1 PRO 10 -2.807 -6.614 3.086
70 H ALA 11 HN ALA 11 0.106 -4.020 2.791
71 HA ALA 11 HA ALA 11 2.195 -3.362 1.937
72 1HB ALA 11 HB2 ALA 11 1.699 -1.980 4.440
73 2HB ALA 11 HB1 ALA 11 3.428 -2.220 4.191
74 3HB ALA 11 HB3 ALA 11 2.471 -1.379 2.972
75 H ASP 12 HN ASP 12 2.937 -5.625 1.778
76 HA ASP 12 HA ASP 12 4.886 -6.336 3.924
77 1HB ASP 12 HB2 ASP 12 2.853 -7.885 3.357
78 2HB ASP 12 HB1 ASP 12 3.815 -8.329 1.943
79 H CYS 13 HN CYS 13 4.897 -4.859 1.131
80 HA CYS 13 HA CYS 13 6.267 -4.882 -0.829
81 1HB CYS 13 HB2 CYS 13 8.589 -5.154 1.018
82 2HB CYS 13 HB1 CYS 13 8.271 -3.938 -0.221
83 H ASP 14 HN ASP 14 5.986 -6.881 -1.906
84 HA ASP 14 HA ASP 14 7.778 -9.103 -1.045
85 1HB ASP 14 HB2 ASP 14 5.100 -9.039 -1.986
86 2HB ASP 14 HB1 ASP 14 6.063 -9.811 -3.250
87 HA PRO 15 HA PRO 15 10.579 -8.516 -4.301
88 1HB PRO 15 HB2 PRO 15 10.556 -11.220 -5.284
89 2HB PRO 15 HB1 PRO 15 11.776 -10.439 -4.268
90 1HG PRO 15 HG2 PRO 15 9.852 -12.432 -3.487
91 2HG PRO 15 HG1 PRO 15 11.070 -11.644 -2.475
92 1HD PRO 15 HD2 PRO 15 8.223 -11.231 -2.446
93 2HD PRO 15 HD1 PRO 15 9.449 -10.431 -1.446
94 H ASN 16 HN ASN 16 7.826 -10.645 -5.135
95 HA ASN 16 HA ASN 16 7.910 -9.676 -7.927
96 1HB ASN 16 HB2 ASN 16 6.004 -11.617 -6.580
97 2HB ASN 16 HB1 ASN 16 6.095 -11.293 -8.311
98 1HD2 ASN 16 HD22 ASN 16 9.594 -12.717 -8.246
99 2HD2 ASN 16 HD21 ASN 16 8.980 -11.150 -8.523
100 H THR 17 HN THR 17 7.291 -7.754 -5.824
101 HA THR 17 HA THR 17 5.088 -6.413 -6.995
102 HB THR 17 HB THR 17 3.741 -8.265 -6.077
103 HG1 THR 17 HG1 THR 17 2.942 -6.084 -6.063
104 1HG2 THR 17 HG23 THR 17 5.569 -8.102 -3.964
105 2HG2 THR 17 HG22 THR 17 4.037 -7.562 -3.275
106 3HG2 THR 17 HG21 THR 17 4.149 -9.145 -4.046
107 H GLN 18 HN GLN 18 6.879 -4.863 -6.566
108 HA GLN 18 HA GLN 18 7.458 -4.138 -3.794
109 1HB GLN 18 HB2 GLN 18 8.959 -3.827 -5.919
110 2HB GLN 18 HB1 GLN 18 8.017 -2.354 -6.156
111 1HG GLN 18 HG2 GLN 18 9.092 -1.287 -4.481
112 2HG GLN 18 HG1 GLN 18 8.889 -2.656 -3.387
113 1HE2 GLN 18 HE22 GLN 18 12.401 -2.188 -5.403
114 2HE2 GLN 18 HE21 GLN 18 11.084 -1.143 -5.692
115 H ALA 19 HN ALA 19 4.751 -3.737 -5.614
116 HA ALA 19 HA ALA 19 4.097 -0.979 -5.310
117 1HB ALA 19 HB1 ALA 19 2.780 -3.363 -6.179
118 2HB ALA 19 HB3 ALA 19 1.730 -2.551 -5.018
119 3HB ALA 19 HB2 ALA 19 2.295 -1.690 -6.450
120 H SER 20 HN SER 20 3.392 -3.775 -3.183
121 HA SER 20 HA SER 20 1.903 -2.542 -1.192
122 1HB SER 20 HB2 SER 20 4.197 -4.498 -0.820
123 2HB SER 20 HB1 SER 20 3.022 -4.093 0.427
124 HG SER 20 HG SER 20 2.260 -5.007 -2.140
125 H CYS 21 HN CYS 21 2.675 -1.710 0.978
126 HA CYS 21 HA CYS 21 3.632 0.193 1.987
127 1HB CYS 21 HB2 CYS 21 6.026 -0.125 2.488
128 2HB CYS 21 HB1 CYS 21 5.102 -1.607 2.742
129 H GLU 22 HN GLU 22 6.067 1.555 1.525
130 HA GLU 22 HA GLU 22 6.633 3.462 0.217
131 1HB GLU 22 HB2 GLU 22 6.578 2.002 -2.327
132 2HB GLU 22 HB1 GLU 22 7.945 2.743 -1.495
133 1HG GLU 22 HG2 GLU 22 7.624 0.674 0.143
134 2HG GLU 22 HG1 GLU 22 6.883 -0.045 -1.287
135 H CYS 23 HN CYS 23 3.856 2.805 0.601
136 HA CYS 23 HA CYS 23 1.842 2.763 -0.885
137 1HB CYS 23 HB2 CYS 23 2.658 5.008 0.826
138 2HB CYS 23 HB1 CYS 23 1.341 5.376 -0.282
139 HA PRO 24 HA PRO 24 2.437 3.402 -5.290
140 1HB PRO 24 HB2 PRO 24 0.497 5.548 -4.465
141 2HB PRO 24 HB1 PRO 24 0.436 4.463 -5.871
142 1HG PRO 24 HG2 PRO 24 -1.020 4.008 -3.626
143 2HG PRO 24 HG1 PRO 24 -0.407 2.692 -4.636
144 1HD PRO 24 HD2 PRO 24 0.427 3.469 -1.934
145 2HD PRO 24 HD1 PRO 24 0.797 1.983 -2.833
146 H GLU 25 HN GLU 25 1.821 6.265 -5.973
147 HA GLU 25 HA GLU 25 4.507 7.329 -5.272
148 1HB GLU 25 HB2 GLU 25 3.852 8.943 -7.249
149 2HB GLU 25 HB1 GLU 25 4.432 7.316 -7.603
150 1HG GLU 25 HG2 GLU 25 2.199 6.498 -7.929
151 2HG GLU 25 HG1 GLU 25 1.499 7.988 -7.296
152 H GLY 26 HN GLY 26 2.941 7.610 -3.247
153 1HA GLY 26 HA2 GLY 26 2.804 9.903 -2.109
154 2HA GLY 26 HA1 GLY 26 1.713 10.319 -3.437
155 H TYR 27 HN TYR 27 1.170 7.095 -2.824
156 HA TYR 27 HA TYR 27 -1.432 7.507 -1.813
157 1HB TYR 27 HB2 TYR 27 0.046 5.235 -2.444
158 2HB TYR 27 HB1 TYR 27 -0.319 5.048 -0.725
159 HD1 TYR 27 HD2 TYR 27 -2.067 6.282 -3.813
160 HD2 TYR 27 HD1 TYR 27 -2.314 3.976 -0.196
161 HE1 TYR 27 HE2 TYR 27 -4.406 5.674 -4.362
162 HE2 TYR 27 HE1 TYR 27 -4.655 3.368 -0.748
163 HH TYR 27 HH TYR 27 -6.467 4.956 -3.067
164 H ILE 28 HN ILE 28 1.638 7.538 -0.258
165 HA ILE 28 HA ILE 28 2.343 7.878 1.927
166 HB ILE 28 HB ILE 28 0.803 9.941 1.281
167 1HG1 ILE 28 HG12 ILE 28 1.198 10.215 4.092
168 2HG1 ILE 28 HG11 ILE 28 2.507 9.211 3.461
169 1HG2 ILE 28 HG22 ILE 28 -0.694 8.595 3.549
170 2HG2 ILE 28 HG21 ILE 28 -0.858 10.303 3.156
171 3HG2 ILE 28 HG23 ILE 28 -1.338 9.083 1.982
172 1HD1 ILE 28 HD13 ILE 28 2.154 11.274 1.572
173 2HD1 ILE 28 HD12 ILE 28 2.092 12.057 3.151
174 3HD1 ILE 28 HD11 ILE 28 3.494 11.086 2.702
175 H LEU 29 HN LEU 29 2.447 6.477 3.578
176 HA LEU 29 HA LEU 29 0.455 4.484 4.038
177 1HB LEU 29 HB2 LEU 29 2.975 5.342 5.344
178 2HB LEU 29 HB1 LEU 29 1.824 4.515 6.398
179 HG LEU 29 HG LEU 29 2.782 3.486 3.726
180 1HD1 LEU 29 HD12 LEU 29 3.894 3.289 6.403
181 2HD1 LEU 29 HD11 LEU 29 3.497 1.699 5.751
182 3HD1 LEU 29 HD13 LEU 29 4.590 2.766 4.869
183 1HD2 LEU 29 HD21 LEU 29 0.913 2.409 5.820
184 2HD2 LEU 29 HD23 LEU 29 0.619 2.613 4.093
185 3HD2 LEU 29 HD22 LEU 29 1.714 1.351 4.659
186 H ASP 30 HN ASP 30 0.020 4.417 6.765
187 HA ASP 30 HA ASP 30 -1.009 6.971 7.731
188 1HB ASP 30 HB2 ASP 30 -2.674 5.523 5.971
189 2HB ASP 30 HB1 ASP 30 -3.330 5.258 7.587
190 H ASP 31 HN ASP 31 -3.011 5.976 9.457
191 HA ASP 31 HA ASP 31 -1.631 5.120 11.704
192 1HB ASP 31 HB2 ASP 31 -4.308 5.470 11.071
193 2HB ASP 31 HB1 ASP 31 -4.219 3.752 11.458
194 H GLY 32 HN GLY 32 -0.034 3.564 11.300
195 1HA GLY 32 HA2 GLY 32 0.415 1.177 11.583
196 2HA GLY 32 HA1 GLY 32 -1.055 0.844 10.655
197 H PHE 33 HN PHE 33 1.728 0.015 10.072
198 HA PHE 33 HA PHE 33 2.652 1.621 7.846
199 1HB PHE 33 HB2 PHE 33 4.361 -0.021 7.586
200 2HB PHE 33 HB1 PHE 33 4.071 0.102 9.324
201 HD1 PHE 33 HD2 PHE 33 2.603 -1.606 10.460
202 HD2 PHE 33 HD1 PHE 33 3.935 -2.045 6.401
203 HE1 PHE 33 HE2 PHE 33 2.044 -4.021 10.537
204 HE2 PHE 33 HE1 PHE 33 3.375 -4.459 6.477
205 HZ PHE 33 HZ PHE 33 2.431 -5.448 8.546
206 H ILE 34 HN ILE 34 -0.189 0.508 7.638
207 HA ILE 34 HA ILE 34 0.151 -1.308 5.321
208 HB ILE 34 HB ILE 34 -2.433 -0.339 6.551
209 1HG1 ILE 34 HG12 ILE 34 -1.537 -1.593 8.317
210 2HG1 ILE 34 HG11 ILE 34 -2.410 -2.827 7.406
211 1HG2 ILE 34 HG21 ILE 34 -2.458 -1.161 4.178
212 2HG2 ILE 34 HG23 ILE 34 -1.828 -2.705 4.743
213 3HG2 ILE 34 HG22 ILE 34 -3.421 -2.157 5.265
214 1HD1 ILE 34 HD11 ILE 34 0.038 -2.842 6.170
215 2HD1 ILE 34 HD13 ILE 34 0.486 -2.513 7.838
216 3HD1 ILE 34 HD12 ILE 34 -0.444 -3.957 7.439
217 H CYS 35 HN CYS 35 -0.511 -0.771 3.282
218 HA CYS 35 HA CYS 35 -0.764 2.148 2.809
219 1HB CYS 35 HB2 CYS 35 0.738 0.541 1.437
220 2HB CYS 35 HB1 CYS 35 -0.769 0.042 0.653
221 H THR 36 HN THR 36 -2.641 3.088 1.922
222 HA THR 36 HA THR 36 -4.788 1.722 0.716
223 HB THR 36 HB THR 36 -5.370 0.471 2.577
224 HG1 THR 36 HG1 THR 36 -7.213 1.349 3.261
225 1HG2 THR 36 HG21 THR 36 -4.099 2.727 4.056
226 2HG2 THR 36 HG23 THR 36 -5.305 1.766 4.910
227 3HG2 THR 36 HG22 THR 36 -3.869 0.989 4.244
228 H ASP 37 HN ASP 37 -6.942 3.042 1.048
229 HA ASP 37 HA ASP 37 -6.270 5.918 1.498
230 1HB ASP 37 HB2 ASP 37 -6.400 4.991 -1.006
231 2HB ASP 37 HB1 ASP 37 -8.127 5.222 -0.734
232 H ILE 38 HN ILE 38 -7.444 5.643 3.526
233 HA ILE 38 HA ILE 38 -10.357 5.959 3.134
234 HB ILE 38 HB ILE 38 -10.717 4.342 5.108
235 1HG1 ILE 38 HG12 ILE 38 -8.019 3.333 4.149
236 2HG1 ILE 38 HG11 ILE 38 -8.263 4.221 5.657
237 1HG2 ILE 38 HG21 ILE 38 -10.825 4.006 2.390
238 2HG2 ILE 38 HG23 ILE 38 -9.748 2.691 2.861
239 3HG2 ILE 38 HG22 ILE 38 -11.362 2.803 3.562
240 1HD1 ILE 38 HD11 ILE 38 -10.197 2.110 5.525
241 2HD1 ILE 38 HD13 ILE 38 -8.604 1.429 5.198
242 3HD1 ILE 38 HD12 ILE 38 -8.890 2.325 6.689
243 H ASP 39 HN ASP 39 -11.183 6.079 5.736
244 HA ASP 39 HA ASP 39 -9.454 8.251 6.848
245 1HB ASP 39 HB2 ASP 39 -12.432 7.807 6.827
246 2HB ASP 39 HB1 ASP 39 -11.694 8.816 8.075
247 H GLU 40 HN GLU 40 -8.620 5.751 7.527
248 HA GLU 40 HA GLU 40 -9.495 5.547 10.375
249 1HB GLU 40 HB2 GLU 40 -10.544 3.678 9.273
250 2HB GLU 40 HB1 GLU 40 -9.057 3.283 8.411
251 1HG GLU 40 HG2 GLU 40 -8.835 3.401 11.366
252 2HG GLU 40 HG1 GLU 40 -9.799 2.070 10.722
No H/Q in entry = 252
Start of MODEL 9
1 1H GLN 1 HT1 GLN 1 3.373 1.835 -8.005
2 2H GLN 1 HT3 GLN 1 3.910 1.002 -9.382
3 3H GLN 1 HT2 GLN 1 4.332 2.633 -9.158
4 HA GLN 1 HA GLN 1 2.172 3.389 -9.570
5 1HB GLN 1 HB2 GLN 1 3.458 2.592 -11.576
6 2HB GLN 1 HB1 GLN 1 2.619 1.046 -11.442
7 1HG GLN 1 HG2 GLN 1 0.440 2.383 -11.526
8 2HG GLN 1 HG1 GLN 1 1.424 3.760 -12.024
9 1HE2 GLN 1 HE22 GLN 1 0.419 1.010 -14.762
10 2HE2 GLN 1 HE21 GLN 1 -0.287 1.086 -13.220
11 H MET 2 HN MET 2 1.456 2.096 -7.374
12 HA MET 2 HA MET 2 -1.131 0.984 -8.013
13 1HB MET 2 HB2 MET 2 1.125 -0.850 -7.730
14 2HB MET 2 HB1 MET 2 -0.158 -1.188 -6.568
15 1HG MET 2 HG2 MET 2 -1.083 -0.606 -9.317
16 2HG MET 2 HG1 MET 2 -0.165 -2.102 -9.135
17 1HE MET 2 HE1 MET 2 -2.145 -2.829 -10.190
18 2HE MET 2 HE3 MET 2 -3.273 -3.821 -9.257
19 3HE MET 2 HE2 MET 2 -3.726 -2.191 -9.745
20 H PHE 3 HN PHE 3 -2.440 0.862 -6.147
21 HA PHE 3 HA PHE 3 -1.141 1.885 -3.655
22 1HB PHE 3 HB2 PHE 3 -4.073 2.073 -3.802
23 2HB PHE 3 HB1 PHE 3 -2.889 3.302 -3.362
24 HD1 PHE 3 HD1 PHE 3 -4.497 1.583 -6.247
25 HD2 PHE 3 HD2 PHE 3 -2.154 4.938 -4.936
26 HE1 PHE 3 HE1 PHE 3 -4.765 2.641 -8.474
27 HE2 PHE 3 HE2 PHE 3 -2.423 5.995 -7.164
28 HZ PHE 3 HZ PHE 3 -3.729 4.847 -8.932
29 H CYS 4 HN CYS 4 -0.612 -0.328 -3.038
30 HA CYS 4 HA CYS 4 -1.059 -2.482 -2.243
31 1HB CYS 4 HB2 CYS 4 -2.222 -0.476 -0.537
32 2HB CYS 4 HB1 CYS 4 -3.219 -1.940 -0.480
33 H ASN 5 HN ASN 5 -1.840 -3.612 -3.971
34 HA ASN 5 HA ASN 5 -3.396 -4.611 -5.417
35 1HB ASN 5 HB2 ASN 5 -3.518 -6.012 -3.428
36 2HB ASN 5 HB1 ASN 5 -4.697 -4.920 -2.696
37 1HD2 ASN 5 HD22 ASN 5 -6.151 -7.867 -4.853
38 2HD2 ASN 5 HD21 ASN 5 -4.679 -7.868 -3.989
39 H GLN 6 HN GLN 6 -5.893 -3.604 -3.178
40 HA GLN 6 HA GLN 6 -6.777 -1.280 -4.604
41 1HB GLN 6 HB2 GLN 6 -7.263 -2.828 -6.412
42 2HB GLN 6 HB1 GLN 6 -8.117 -3.905 -5.308
43 1HG GLN 6 HG2 GLN 6 -10.014 -2.771 -5.707
44 2HG GLN 6 HG1 GLN 6 -9.275 -1.332 -5.003
45 1HE2 GLN 6 HE22 GLN 6 -8.594 -1.677 -9.042
46 2HE2 GLN 6 HE21 GLN 6 -8.272 -3.002 -8.017
47 H THR 7 HN THR 7 -8.230 -0.239 -3.303
48 HA THR 7 HA THR 7 -9.940 0.043 -1.706
49 HB THR 7 HB THR 7 -10.355 -2.583 -2.495
50 HG1 THR 7 HG1 THR 7 -12.309 -2.133 -1.784
51 1HG2 THR 7 HG23 THR 7 -8.995 -3.349 -0.522
52 2HG2 THR 7 HG22 THR 7 -10.172 -2.564 0.531
53 3HG2 THR 7 HG21 THR 7 -10.667 -3.912 -0.492
54 H ALA 8 HN ALA 8 -7.351 -2.286 -0.914
55 HA ALA 8 HA ALA 8 -5.977 -0.777 0.937
56 1HB ALA 8 HB2 ALA 8 -8.423 -2.028 2.181
57 2HB ALA 8 HB1 ALA 8 -6.979 -1.701 3.139
58 3HB ALA 8 HB3 ALA 8 -7.833 -0.377 2.348
59 H CYS 9 HN CYS 9 -4.164 -1.951 1.334
60 HA CYS 9 HA CYS 9 -4.398 -4.874 1.793
61 1HB CYS 9 HB2 CYS 9 -3.485 -5.463 -0.188
62 2HB CYS 9 HB1 CYS 9 -3.618 -3.785 -0.701
63 HA PRO 10 HA PRO 10 -1.500 -3.989 4.870
64 1HB PRO 10 HB2 PRO 10 0.012 -6.439 4.465
65 2HB PRO 10 HB1 PRO 10 -1.065 -6.013 5.803
66 1HG PRO 10 HG2 PRO 10 -1.599 -7.841 3.660
67 2HG PRO 10 HG1 PRO 10 -2.702 -7.345 4.955
68 1HD PRO 10 HD2 PRO 10 -2.840 -6.645 2.178
69 2HD PRO 10 HD1 PRO 10 -3.905 -6.101 3.491
70 H ALA 11 HN ALA 11 1.282 -5.028 4.763
71 HA ALA 11 HA ALA 11 2.274 -3.784 2.249
72 1HB ALA 11 HB1 ALA 11 2.169 -1.987 3.939
73 2HB ALA 11 HB3 ALA 11 3.189 -2.943 5.015
74 3HB ALA 11 HB2 ALA 11 3.831 -2.347 3.484
75 H ASP 12 HN ASP 12 4.978 -3.761 3.735
76 HA ASP 12 HA ASP 12 6.632 -5.314 4.439
77 1HB ASP 12 HB2 ASP 12 4.501 -6.911 4.814
78 2HB ASP 12 HB1 ASP 12 5.189 -7.689 3.384
79 H CYS 13 HN CYS 13 5.607 -4.342 1.629
80 HA CYS 13 HA CYS 13 6.294 -4.594 -0.623
81 1HB CYS 13 HB2 CYS 13 8.949 -5.057 0.758
82 2HB CYS 13 HB1 CYS 13 8.683 -4.349 -0.839
83 H ASP 14 HN ASP 14 5.520 -6.465 -1.585
84 HA ASP 14 HA ASP 14 6.121 -9.127 -0.893
85 1HB ASP 14 HB2 ASP 14 5.097 -7.744 -3.293
86 2HB ASP 14 HB1 ASP 14 5.862 -9.304 -3.612
87 HA PRO 15 HA PRO 15 10.101 -9.617 -2.621
88 1HB PRO 15 HB2 PRO 15 9.796 -12.186 -3.854
89 2HB PRO 15 HB1 PRO 15 10.382 -11.826 -2.225
90 1HG PRO 15 HG2 PRO 15 7.854 -12.990 -2.970
91 2HG PRO 15 HG1 PRO 15 8.450 -12.635 -1.343
92 1HD PRO 15 HD2 PRO 15 6.403 -11.240 -2.816
93 2HD PRO 15 HD1 PRO 15 6.996 -10.899 -1.181
94 H ASN 16 HN ASN 16 7.559 -9.933 -4.991
95 HA ASN 16 HA ASN 16 9.552 -9.180 -7.082
96 1HB ASN 16 HB2 ASN 16 7.514 -11.381 -7.149
97 2HB ASN 16 HB1 ASN 16 7.947 -10.554 -8.646
98 1HD2 ASN 16 HD22 ASN 16 10.546 -13.191 -6.993
99 2HD2 ASN 16 HD21 ASN 16 9.016 -12.889 -6.300
100 H THR 17 HN THR 17 6.857 -8.229 -5.428
101 HA THR 17 HA THR 17 5.670 -6.891 -7.795
102 HB THR 17 HB THR 17 3.660 -6.768 -6.667
103 HG1 THR 17 HG1 THR 17 3.585 -6.016 -4.712
104 1HG2 THR 17 HG21 THR 17 5.153 -9.031 -5.320
105 2HG2 THR 17 HG23 THR 17 3.410 -8.797 -5.189
106 3HG2 THR 17 HG22 THR 17 4.140 -9.130 -6.759
107 H GLN 18 HN GLN 18 7.862 -6.335 -5.413
108 HA GLN 18 HA GLN 18 8.612 -4.373 -4.276
109 1HB GLN 18 HB2 GLN 18 9.658 -4.479 -6.584
110 2HB GLN 18 HB1 GLN 18 8.423 -3.337 -7.115
111 1HG GLN 18 HG2 GLN 18 9.733 -1.667 -6.365
112 2HG GLN 18 HG1 GLN 18 9.471 -2.266 -4.727
113 1HE2 GLN 18 HE22 GLN 18 12.697 -3.725 -4.455
114 2HE2 GLN 18 HE21 GLN 18 11.153 -3.569 -3.748
115 H ALA 19 HN ALA 19 5.714 -4.531 -4.212
116 HA ALA 19 HA ALA 19 5.148 -1.609 -4.125
117 1HB ALA 19 HB1 ALA 19 4.108 -3.290 -6.084
118 2HB ALA 19 HB3 ALA 19 2.812 -3.179 -4.894
119 3HB ALA 19 HB2 ALA 19 3.466 -1.713 -5.625
120 H SER 20 HN SER 20 2.401 -2.008 -3.370
121 HA SER 20 HA SER 20 1.119 -2.366 -1.455
122 1HB SER 20 HB2 SER 20 1.073 -4.601 -1.118
123 2HB SER 20 HB1 SER 20 2.676 -4.770 -1.827
124 HG SER 20 HG SER 20 3.224 -5.247 0.150
125 H CYS 21 HN CYS 21 3.930 -0.999 -1.526
126 HA CYS 21 HA CYS 21 3.795 0.029 1.178
127 1HB CYS 21 HB2 CYS 21 6.154 -0.563 1.771
128 2HB CYS 21 HB1 CYS 21 5.087 -1.970 1.699
129 H GLU 22 HN GLU 22 6.243 1.418 1.253
130 HA GLU 22 HA GLU 22 7.054 3.445 0.288
131 1HB GLU 22 HB2 GLU 22 7.013 2.384 -2.467
132 2HB GLU 22 HB1 GLU 22 8.377 2.987 -1.526
133 1HG GLU 22 HG2 GLU 22 7.918 0.690 -0.192
134 2HG GLU 22 HG1 GLU 22 7.333 0.214 -1.787
135 H CYS 23 HN CYS 23 4.290 2.844 0.506
136 HA CYS 23 HA CYS 23 2.316 3.060 -1.035
137 1HB CYS 23 HB2 CYS 23 2.995 5.166 0.981
138 2HB CYS 23 HB1 CYS 23 1.469 5.215 0.092
139 HA PRO 24 HA PRO 24 2.364 5.305 -4.718
140 1HB PRO 24 HB2 PRO 24 -0.214 6.378 -3.598
141 2HB PRO 24 HB1 PRO 24 0.112 5.714 -5.212
142 1HG PRO 24 HG2 PRO 24 -1.148 4.287 -3.246
143 2HG PRO 24 HG1 PRO 24 -0.171 3.524 -4.513
144 1HD PRO 24 HD2 PRO 24 0.419 3.766 -1.649
145 2HD PRO 24 HD1 PRO 24 1.232 2.773 -2.878
146 H GLU 25 HN GLU 25 2.383 7.621 -5.401
147 HA GLU 25 HA GLU 25 3.763 9.265 -3.509
148 1HB GLU 25 HB2 GLU 25 2.928 9.461 -6.309
149 2HB GLU 25 HB1 GLU 25 2.904 11.012 -5.467
150 1HG GLU 25 HG2 GLU 25 5.140 11.127 -5.635
151 2HG GLU 25 HG1 GLU 25 5.277 9.651 -4.679
152 H GLY 26 HN GLY 26 0.578 8.542 -3.659
153 1HA GLY 26 HA2 GLY 26 -0.110 10.983 -2.118
154 2HA GLY 26 HA1 GLY 26 -1.192 10.428 -3.403
155 H TYR 27 HN TYR 27 0.370 7.827 -1.861
156 HA TYR 27 HA TYR 27 -2.160 7.206 -0.463
157 1HB TYR 27 HB2 TYR 27 -0.243 5.625 -1.865
158 2HB TYR 27 HB1 TYR 27 -0.367 5.031 -0.206
159 HD1 TYR 27 HD2 TYR 27 -2.945 6.674 -2.374
160 HD2 TYR 27 HD1 TYR 27 -1.723 3.109 -0.316
161 HE1 TYR 27 HE2 TYR 27 -5.125 5.618 -2.904
162 HE2 TYR 27 HE1 TYR 27 -3.900 2.054 -0.845
163 HH TYR 27 HH TYR 27 -6.457 3.862 -2.534
164 H ILE 28 HN ILE 28 1.352 7.018 0.183
165 HA ILE 28 HA ILE 28 2.558 7.190 2.181
166 HB ILE 28 HB ILE 28 0.146 8.920 2.709
167 1HG1 ILE 28 HG12 ILE 28 1.947 10.669 2.720
168 2HG1 ILE 28 HG11 ILE 28 3.120 9.399 2.350
169 1HG2 ILE 28 HG23 ILE 28 2.451 8.369 4.607
170 2HG2 ILE 28 HG22 ILE 28 1.274 9.667 4.803
171 3HG2 ILE 28 HG21 ILE 28 0.754 7.984 4.894
172 1HD1 ILE 28 HD12 ILE 28 0.676 9.787 0.629
173 2HD1 ILE 28 HD11 ILE 28 2.127 10.755 0.368
174 3HD1 ILE 28 HD13 ILE 28 2.200 9.000 0.220
175 H LEU 29 HN LEU 29 2.864 5.590 3.665
176 HA LEU 29 HA LEU 29 0.968 3.594 4.254
177 1HB LEU 29 HB2 LEU 29 3.600 4.391 5.289
178 2HB LEU 29 HB1 LEU 29 2.576 3.622 6.508
179 HG LEU 29 HG LEU 29 3.047 2.480 3.748
180 1HD1 LEU 29 HD12 LEU 29 4.739 2.457 6.114
181 2HD1 LEU 29 HD11 LEU 29 4.226 0.823 5.692
182 3HD1 LEU 29 HD13 LEU 29 5.075 1.815 4.506
183 1HD2 LEU 29 HD22 LEU 29 1.872 1.336 6.298
184 2HD2 LEU 29 HD21 LEU 29 0.973 1.745 4.838
185 3HD2 LEU 29 HD23 LEU 29 2.139 0.423 4.812
186 H ASP 30 HN ASP 30 0.764 3.295 6.983
187 HA ASP 30 HA ASP 30 -0.232 5.724 8.248
188 1HB ASP 30 HB2 ASP 30 -2.021 4.639 6.515
189 2HB ASP 30 HB1 ASP 30 -2.409 3.726 7.974
190 H ASP 31 HN ASP 31 -1.720 4.808 10.259
191 HA ASP 31 HA ASP 31 0.102 3.372 11.921
192 1HB ASP 31 HB2 ASP 31 -2.049 3.043 13.353
193 2HB ASP 31 HB1 ASP 31 -1.473 4.687 13.077
194 H GLY 32 HN GLY 32 0.704 1.339 11.210
195 1HA GLY 32 HA2 GLY 32 -0.294 -1.022 11.703
196 2HA GLY 32 HA1 GLY 32 -1.466 -0.565 10.466
197 H PHE 33 HN PHE 33 1.150 0.956 9.411
198 HA PHE 33 HA PHE 33 2.756 0.519 7.776
199 1HB PHE 33 HB2 PHE 33 2.583 -2.324 8.814
200 2HB PHE 33 HB1 PHE 33 3.846 -1.678 7.760
201 HD1 PHE 33 HD2 PHE 33 4.683 0.788 8.730
202 HD2 PHE 33 HD1 PHE 33 3.269 -2.550 11.030
203 HE1 PHE 33 HE2 PHE 33 5.921 1.627 10.706
204 HE2 PHE 33 HE1 PHE 33 4.506 -1.712 13.007
205 HZ PHE 33 HZ PHE 33 5.833 0.376 12.848
206 H ILE 34 HN ILE 34 -0.340 -0.302 7.632
207 HA ILE 34 HA ILE 34 -0.176 -1.958 5.181
208 HB ILE 34 HB ILE 34 -2.540 -0.869 6.736
209 1HG1 ILE 34 HG12 ILE 34 -2.432 -2.821 7.867
210 2HG1 ILE 34 HG11 ILE 34 -2.646 -3.694 6.351
211 1HG2 ILE 34 HG22 ILE 34 -2.566 -1.217 4.031
212 2HG2 ILE 34 HG21 ILE 34 -2.976 -2.845 4.558
213 3HG2 ILE 34 HG23 ILE 34 -3.976 -1.481 5.051
214 1HD1 ILE 34 HD12 ILE 34 -0.175 -3.606 5.987
215 2HD1 ILE 34 HD11 ILE 34 -0.001 -2.806 7.544
216 3HD1 ILE 34 HD13 ILE 34 -0.606 -4.458 7.467
217 H CYS 35 HN CYS 35 0.248 -0.876 3.354
218 HA CYS 35 HA CYS 35 0.266 1.888 3.044
219 1HB CYS 35 HB2 CYS 35 1.125 0.121 1.408
220 2HB CYS 35 HB1 CYS 35 -0.525 0.034 0.788
221 H THR 36 HN THR 36 -2.257 0.231 1.167
222 HA THR 36 HA THR 36 -4.433 1.024 0.695
223 HB THR 36 HB THR 36 -4.565 -0.323 2.843
224 HG1 THR 36 HG1 THR 36 -6.345 0.923 1.621
225 1HG2 THR 36 HG21 THR 36 -4.432 2.471 3.983
226 2HG2 THR 36 HG23 THR 36 -5.107 1.109 4.877
227 3HG2 THR 36 HG22 THR 36 -3.415 1.086 4.381
228 H ASP 37 HN ASP 37 -6.099 2.847 2.010
229 HA ASP 37 HA ASP 37 -4.572 5.328 2.442
230 1HB ASP 37 HB2 ASP 37 -4.748 5.174 -0.028
231 2HB ASP 37 HB1 ASP 37 -6.504 5.093 0.119
232 H ILE 38 HN ILE 38 -7.706 3.692 2.251
233 HA ILE 38 HA ILE 38 -9.028 5.919 3.620
234 HB ILE 38 HB ILE 38 -10.506 4.983 2.079
235 1HG1 ILE 38 HG12 ILE 38 -11.328 2.961 4.039
236 2HG1 ILE 38 HG11 ILE 38 -11.073 4.566 4.720
237 1HG2 ILE 38 HG23 ILE 38 -9.102 2.412 2.737
238 2HG2 ILE 38 HG22 ILE 38 -10.708 2.359 2.010
239 3HG2 ILE 38 HG21 ILE 38 -9.383 3.158 1.164
240 1HD1 ILE 38 HD13 ILE 38 -12.691 4.168 2.206
241 2HD1 ILE 38 HD12 ILE 38 -13.431 4.049 3.803
242 3HD1 ILE 38 HD11 ILE 38 -12.680 5.560 3.289
243 H ASP 39 HN ASP 39 -9.179 6.016 5.806
244 HA ASP 39 HA ASP 39 -8.217 3.708 7.394
245 1HB ASP 39 HB2 ASP 39 -8.354 5.357 9.300
246 2HB ASP 39 HB1 ASP 39 -7.270 5.858 7.997
247 H GLU 40 HN GLU 40 -10.757 3.385 6.118
248 HA GLU 40 HA GLU 40 -13.018 2.914 6.599
249 1HB GLU 40 HB2 GLU 40 -11.837 2.203 9.299
250 2HB GLU 40 HB1 GLU 40 -13.307 1.547 8.579
251 1HG GLU 40 HG2 GLU 40 -10.540 1.255 7.379
252 2HG GLU 40 HG1 GLU 40 -11.341 0.016 8.347
No H/Q in entry = 252
Start of MODEL 10
1 1H GLN 1 HT2 GLN 1 5.192 1.662 -9.924
2 2H GLN 1 HT1 GLN 1 5.834 3.235 -9.885
3 3H GLN 1 HT3 GLN 1 6.366 2.076 -8.767
4 HA GLN 1 HA GLN 1 4.860 2.865 -7.358
5 1HB GLN 1 HB2 GLN 1 3.249 4.568 -8.016
6 2HB GLN 1 HB1 GLN 1 4.790 4.913 -8.803
7 1HG GLN 1 HG2 GLN 1 3.385 3.152 -10.522
8 2HG GLN 1 HG1 GLN 1 2.232 4.389 -10.018
9 1HE2 GLN 1 HE22 GLN 1 4.359 7.070 -11.366
10 2HE2 GLN 1 HE21 GLN 1 3.531 6.722 -9.926
11 H MET 2 HN MET 2 2.425 2.628 -6.847
12 HA MET 2 HA MET 2 0.867 0.888 -8.573
13 1HB MET 2 HB2 MET 2 2.750 -0.399 -6.963
14 2HB MET 2 HB1 MET 2 1.239 -0.571 -6.074
15 1HG MET 2 HG2 MET 2 0.824 -1.003 -8.917
16 2HG MET 2 HG1 MET 2 2.062 -2.090 -8.289
17 1HE MET 2 HE1 MET 2 -0.759 -2.159 -9.534
18 2HE MET 2 HE3 MET 2 -0.626 -3.878 -9.137
19 3HE MET 2 HE2 MET 2 -2.016 -2.947 -8.584
20 H PHE 3 HN PHE 3 -0.544 -0.282 -6.215
21 HA PHE 3 HA PHE 3 -1.459 1.786 -4.444
22 1HB PHE 3 HB2 PHE 3 -2.378 2.867 -6.399
23 2HB PHE 3 HB1 PHE 3 -3.016 1.347 -7.012
24 HD1 PHE 3 HD2 PHE 3 -3.206 1.938 -3.420
25 HD2 PHE 3 HD1 PHE 3 -5.270 2.417 -7.157
26 HE1 PHE 3 HE2 PHE 3 -5.333 2.318 -2.199
27 HE2 PHE 3 HE1 PHE 3 -7.393 2.798 -5.935
28 HZ PHE 3 HZ PHE 3 -7.424 2.748 -3.457
29 H CYS 4 HN CYS 4 -1.414 -0.156 -3.005
30 HA CYS 4 HA CYS 4 -2.307 -2.676 -3.200
31 1HB CYS 4 HB2 CYS 4 -3.133 -0.672 -1.095
32 2HB CYS 4 HB1 CYS 4 -3.590 -2.372 -0.989
33 H ASN 5 HN ASN 5 -3.891 -3.417 -4.588
34 HA ASN 5 HA ASN 5 -6.350 -1.947 -5.033
35 1HB ASN 5 HB2 ASN 5 -5.002 -3.670 -6.564
36 2HB ASN 5 HB1 ASN 5 -6.088 -4.829 -5.790
37 1HD2 ASN 5 HD22 ASN 5 -7.625 -2.050 -8.391
38 2HD2 ASN 5 HD21 ASN 5 -6.043 -1.856 -7.782
39 H GLN 6 HN GLN 6 -7.805 -4.675 -5.069
40 HA GLN 6 HA GLN 6 -9.506 -5.506 -3.647
41 1HB GLN 6 HB2 GLN 6 -7.467 -6.915 -3.205
42 2HB GLN 6 HB1 GLN 6 -7.106 -5.867 -1.832
43 1HG GLN 6 HG2 GLN 6 -8.476 -7.145 -0.584
44 2HG GLN 6 HG1 GLN 6 -9.823 -6.553 -1.557
45 1HE2 GLN 6 HE22 GLN 6 -8.172 -10.197 -2.557
46 2HE2 GLN 6 HE21 GLN 6 -7.193 -9.024 -1.798
47 H THR 7 HN THR 7 -9.163 -2.642 -3.423
48 HA THR 7 HA THR 7 -10.221 -1.024 -2.048
49 HB THR 7 HB THR 7 -10.098 -2.901 0.303
50 HG1 THR 7 HG1 THR 7 -12.194 -2.861 -1.588
51 1HG2 THR 7 HG21 THR 7 -11.712 -0.536 -0.587
52 2HG2 THR 7 HG23 THR 7 -12.431 -1.696 0.530
53 3HG2 THR 7 HG22 THR 7 -10.952 -0.845 0.974
54 H ALA 8 HN ALA 8 -7.687 -3.044 -0.576
55 HA ALA 8 HA ALA 8 -5.780 -0.960 -0.411
56 1HB ALA 8 HB2 ALA 8 -7.502 -1.341 2.040
57 2HB ALA 8 HB1 ALA 8 -5.847 -0.747 2.163
58 3HB ALA 8 HB3 ALA 8 -7.045 0.163 1.244
59 H CYS 9 HN CYS 9 -3.910 -1.679 1.123
60 HA CYS 9 HA CYS 9 -3.969 -4.442 2.008
61 1HB CYS 9 HB2 CYS 9 -3.026 -5.541 0.263
62 2HB CYS 9 HB1 CYS 9 -3.626 -4.191 -0.691
63 HA PRO 10 HA PRO 10 -0.831 -3.163 4.664
64 1HB PRO 10 HB2 PRO 10 0.825 -5.487 4.289
65 2HB PRO 10 HB1 PRO 10 -0.232 -5.100 5.654
66 1HG PRO 10 HG2 PRO 10 -0.668 -7.056 3.588
67 2HG PRO 10 HG1 PRO 10 -1.720 -6.665 4.958
68 1HD PRO 10 HD2 PRO 10 -2.164 -6.059 2.191
69 2HD PRO 10 HD1 PRO 10 -3.173 -5.597 3.577
70 H ALA 11 HN ALA 11 1.893 -3.791 4.545
71 HA ALA 11 HA ALA 11 2.843 -3.000 1.860
72 1HB ALA 11 HB3 ALA 11 2.291 -0.889 3.148
73 2HB ALA 11 HB2 ALA 11 3.545 -1.348 4.298
74 3HB ALA 11 HB1 ALA 11 3.969 -1.012 2.620
75 H ASP 12 HN ASP 12 4.138 -4.842 1.706
76 HA ASP 12 HA ASP 12 6.319 -5.040 3.735
77 1HB ASP 12 HB2 ASP 12 4.403 -7.100 2.829
78 2HB ASP 12 HB1 ASP 12 6.094 -7.615 2.832
79 H CYS 13 HN CYS 13 5.885 -3.956 0.881
80 HA CYS 13 HA CYS 13 7.002 -4.018 -1.205
81 1HB CYS 13 HB2 CYS 13 9.423 -4.536 0.525
82 2HB CYS 13 HB1 CYS 13 9.317 -3.570 -0.951
83 H ASP 14 HN ASP 14 5.873 -6.474 -0.923
84 HA ASP 14 HA ASP 14 7.445 -8.765 -0.754
85 1HB ASP 14 HB2 ASP 14 4.937 -8.030 -2.043
86 2HB ASP 14 HB1 ASP 14 5.815 -9.248 -2.975
87 HA PRO 15 HA PRO 15 10.411 -8.086 -3.914
88 1HB PRO 15 HB2 PRO 15 11.094 -10.873 -4.048
89 2HB PRO 15 HB1 PRO 15 11.992 -9.570 -3.257
90 1HG PRO 15 HG2 PRO 15 10.478 -11.678 -2.006
91 2HG PRO 15 HG1 PRO 15 11.382 -10.376 -1.222
92 1HD PRO 15 HD2 PRO 15 8.526 -10.661 -1.427
93 2HD PRO 15 HD1 PRO 15 9.437 -9.354 -0.649
94 H ASN 16 HN ASN 16 7.956 -10.610 -4.093
95 HA ASN 16 HA ASN 16 8.311 -10.921 -7.003
96 1HB ASN 16 HB2 ASN 16 6.602 -12.204 -4.901
97 2HB ASN 16 HB1 ASN 16 6.100 -12.314 -6.588
98 1HD2 ASN 16 HD22 ASN 16 9.065 -14.689 -5.285
99 2HD2 ASN 16 HD21 ASN 16 8.085 -13.767 -4.236
100 H THR 17 HN THR 17 6.838 -8.669 -5.038
101 HA THR 17 HA THR 17 5.377 -7.510 -7.254
102 HB THR 17 HB THR 17 3.813 -9.335 -6.485
103 HG1 THR 17 HG1 THR 17 3.132 -6.607 -6.274
104 1HG2 THR 17 HG21 THR 17 4.518 -8.305 -3.940
105 2HG2 THR 17 HG23 THR 17 2.804 -7.965 -4.172
106 3HG2 THR 17 HG22 THR 17 3.401 -9.620 -4.298
107 H GLN 18 HN GLN 18 7.067 -5.973 -6.354
108 HA GLN 18 HA GLN 18 7.188 -4.775 -3.885
109 1HB GLN 18 HB2 GLN 18 8.577 -3.988 -5.716
110 2HB GLN 18 HB1 GLN 18 7.164 -3.373 -6.574
111 1HG GLN 18 HG2 GLN 18 7.078 -1.487 -5.318
112 2HG GLN 18 HG1 GLN 18 7.395 -2.366 -3.822
113 1HE2 GLN 18 HE22 GLN 18 10.511 -0.606 -3.954
114 2HE2 GLN 18 HE21 GLN 18 8.959 -0.612 -3.247
115 H ALA 19 HN ALA 19 5.519 -2.621 -6.077
116 HA ALA 19 HA ALA 19 3.689 -1.203 -5.559
117 1HB ALA 19 HB3 ALA 19 2.548 -3.990 -5.183
118 2HB ALA 19 HB2 ALA 19 1.587 -2.530 -5.406
119 3HB ALA 19 HB1 ALA 19 2.636 -3.099 -6.702
120 H SER 20 HN SER 20 1.502 -1.864 -3.713
121 HA SER 20 HA SER 20 1.063 -1.380 -1.443
122 1HB SER 20 HB2 SER 20 3.303 -3.417 -1.346
123 2HB SER 20 HB1 SER 20 2.416 -2.901 0.084
124 HG SER 20 HG SER 20 1.692 -4.831 -1.283
125 H CYS 21 HN CYS 21 3.876 -1.800 0.185
126 HA CYS 21 HA CYS 21 4.339 0.790 0.997
127 1HB CYS 21 HB2 CYS 21 6.582 0.171 1.579
128 2HB CYS 21 HB1 CYS 21 5.603 -1.292 1.738
129 H GLU 22 HN GLU 22 5.873 2.516 0.214
130 HA GLU 22 HA GLU 22 6.590 3.915 -1.561
131 1HB GLU 22 HB2 GLU 22 6.919 1.656 -3.468
132 2HB GLU 22 HB1 GLU 22 8.049 2.945 -3.058
133 1HG GLU 22 HG2 GLU 22 7.950 1.551 -0.704
134 2HG GLU 22 HG1 GLU 22 7.759 0.257 -1.887
135 H CYS 23 HN CYS 23 3.912 2.742 -1.126
136 HA CYS 23 HA CYS 23 2.473 2.236 -3.531
137 1HB CYS 23 HB2 CYS 23 2.101 2.254 -0.771
138 2HB CYS 23 HB1 CYS 23 0.951 3.441 -1.369
139 HA PRO 24 HA PRO 24 1.102 5.516 -6.059
140 1HB PRO 24 HB2 PRO 24 -0.701 6.392 -3.840
141 2HB PRO 24 HB1 PRO 24 -1.061 6.166 -5.563
142 1HG PRO 24 HG2 PRO 24 -1.835 4.368 -3.700
143 2HG PRO 24 HG1 PRO 24 -1.356 3.875 -5.333
144 1HD PRO 24 HD2 PRO 24 0.069 3.598 -2.793
145 2HD PRO 24 HD1 PRO 24 0.194 2.595 -4.248
146 H GLU 25 HN GLU 25 2.559 7.150 -6.289
147 HA GLU 25 HA GLU 25 4.083 8.413 -4.343
148 1HB GLU 25 HB2 GLU 25 3.564 8.848 -7.068
149 2HB GLU 25 HB1 GLU 25 3.175 10.380 -6.283
150 1HG GLU 25 HG2 GLU 25 5.396 10.797 -6.304
151 2HG GLU 25 HG1 GLU 25 5.522 9.590 -5.024
152 H GLY 26 HN GLY 26 3.001 8.881 -2.434
153 1HA GLY 26 HA2 GLY 26 2.042 10.852 -1.257
154 2HA GLY 26 HA1 GLY 26 0.912 11.015 -2.610
155 H TYR 27 HN TYR 27 1.756 7.860 -1.468
156 HA TYR 27 HA TYR 27 -0.980 7.579 -0.316
157 1HB TYR 27 HB2 TYR 27 0.302 6.044 -2.295
158 2HB TYR 27 HB1 TYR 27 0.348 5.064 -0.828
159 HD1 TYR 27 HD2 TYR 27 -2.190 7.601 -1.845
160 HD2 TYR 27 HD1 TYR 27 -1.349 3.446 -1.165
161 HE1 TYR 27 HE2 TYR 27 -4.597 7.071 -2.111
162 HE2 TYR 27 HE1 TYR 27 -3.754 2.916 -1.429
163 HH TYR 27 HH TYR 27 -5.924 4.068 -1.224
164 H ILE 28 HN ILE 28 2.336 6.339 -0.081
165 HA ILE 28 HA ILE 28 3.565 5.492 1.711
166 HB ILE 28 HB ILE 28 3.772 7.003 3.558
167 1HG1 ILE 28 HG12 ILE 28 1.225 8.400 2.727
168 2HG1 ILE 28 HG11 ILE 28 1.202 7.070 3.890
169 1HG2 ILE 28 HG22 ILE 28 4.239 7.785 1.096
170 2HG2 ILE 28 HG21 ILE 28 2.865 8.855 1.374
171 3HG2 ILE 28 HG23 ILE 28 4.291 8.964 2.406
172 1HD1 ILE 28 HD13 ILE 28 2.936 9.539 4.181
173 2HD1 ILE 28 HD12 ILE 28 1.366 9.339 4.959
174 3HD1 ILE 28 HD11 ILE 28 2.700 8.263 5.375
175 H LEU 29 HN LEU 29 3.401 4.774 4.102
176 HA LEU 29 HA LEU 29 1.160 2.934 4.271
177 1HB LEU 29 HB2 LEU 29 3.694 3.415 5.728
178 2HB LEU 29 HB1 LEU 29 2.385 2.710 6.685
179 HG LEU 29 HG LEU 29 3.364 1.676 4.028
180 1HD1 LEU 29 HD11 LEU 29 4.794 1.388 6.215
181 2HD1 LEU 29 HD13 LEU 29 3.554 0.208 6.643
182 3HD1 LEU 29 HD12 LEU 29 4.514 -0.011 5.179
183 1HD2 LEU 29 HD23 LEU 29 1.099 0.990 5.842
184 2HD2 LEU 29 HD22 LEU 29 1.164 0.971 4.079
185 3HD2 LEU 29 HD21 LEU 29 1.915 -0.330 5.004
186 H ASP 30 HN ASP 30 0.557 2.816 6.910
187 HA ASP 30 HA ASP 30 -0.076 5.321 8.155
188 1HB ASP 30 HB2 ASP 30 -1.882 4.418 6.048
189 2HB ASP 30 HB1 ASP 30 -2.711 4.589 7.596
190 H ASP 31 HN ASP 31 -1.833 4.929 9.917
191 HA ASP 31 HA ASP 31 -1.105 2.911 11.657
192 1HB ASP 31 HB2 ASP 31 -3.422 4.645 11.345
193 2HB ASP 31 HB1 ASP 31 -3.877 3.081 12.021
194 H GLY 32 HN GLY 32 -0.748 0.865 10.787
195 1HA GLY 32 HA2 GLY 32 -2.160 -1.277 10.742
196 2HA GLY 32 HA1 GLY 32 -3.099 -0.455 9.497
197 H PHE 33 HN PHE 33 0.138 0.403 9.232
198 HA PHE 33 HA PHE 33 1.652 -0.060 7.498
199 1HB PHE 33 HB2 PHE 33 1.225 -2.420 9.064
200 2HB PHE 33 HB1 PHE 33 1.416 -2.899 7.374
201 HD1 PHE 33 HD1 PHE 33 2.901 -0.184 9.507
202 HD2 PHE 33 HD2 PHE 33 3.603 -3.534 6.912
203 HE1 PHE 33 HE1 PHE 33 5.345 0.202 9.671
204 HE2 PHE 33 HE2 PHE 33 6.047 -3.149 7.076
205 HZ PHE 33 HZ PHE 33 6.919 -1.282 8.456
206 H ILE 34 HN ILE 34 -1.258 0.232 6.848
207 HA ILE 34 HA ILE 34 -1.404 -1.476 4.413
208 HB ILE 34 HB ILE 34 -3.590 0.318 5.487
209 1HG1 ILE 34 HG12 ILE 34 -3.086 -1.234 7.263
210 2HG1 ILE 34 HG11 ILE 34 -4.505 -1.866 6.418
211 1HG2 ILE 34 HG22 ILE 34 -3.441 -0.788 3.069
212 2HG2 ILE 34 HG21 ILE 34 -3.974 -2.223 3.944
213 3HG2 ILE 34 HG23 ILE 34 -4.966 -0.765 3.956
214 1HD1 ILE 34 HD12 ILE 34 -2.761 -3.143 4.955
215 2HD1 ILE 34 HD11 ILE 34 -1.654 -2.825 6.289
216 3HD1 ILE 34 HD13 ILE 34 -3.124 -3.759 6.567
217 H CYS 35 HN CYS 35 -0.425 -0.539 2.752
218 HA CYS 35 HA CYS 35 0.350 2.118 2.483
219 1HB CYS 35 HB2 CYS 35 1.145 1.430 0.489
220 2HB CYS 35 HB1 CYS 35 0.468 -0.144 0.874
221 H THR 36 HN THR 36 -2.832 0.776 1.979
222 HA THR 36 HA THR 36 -4.014 2.831 0.447
223 HB THR 36 HB THR 36 -4.992 0.607 1.227
224 HG1 THR 36 HG1 THR 36 -7.122 2.000 1.569
225 1HG2 THR 36 HG21 THR 36 -4.620 1.074 3.657
226 2HG2 THR 36 HG23 THR 36 -5.848 2.335 3.562
227 3HG2 THR 36 HG22 THR 36 -6.291 0.653 3.284
228 H ASP 37 HN ASP 37 -6.093 3.846 2.118
229 HA ASP 37 HA ASP 37 -4.930 5.218 4.404
230 1HB ASP 37 HB2 ASP 37 -4.692 6.420 1.784
231 2HB ASP 37 HB1 ASP 37 -5.720 7.413 2.818
232 H ILE 38 HN ILE 38 -7.359 3.658 3.469
233 HA ILE 38 HA ILE 38 -9.388 5.601 4.488
234 HB ILE 38 HB ILE 38 -11.033 4.296 3.005
235 1HG1 ILE 38 HG12 ILE 38 -8.515 3.606 1.475
236 2HG1 ILE 38 HG11 ILE 38 -9.264 2.470 2.604
237 1HG2 ILE 38 HG21 ILE 38 -8.891 6.161 2.006
238 2HG2 ILE 38 HG23 ILE 38 -10.122 5.550 0.901
239 3HG2 ILE 38 HG22 ILE 38 -10.595 6.496 2.312
240 1HD1 ILE 38 HD13 ILE 38 -10.751 3.782 0.313
241 2HD1 ILE 38 HD12 ILE 38 -10.007 2.187 0.207
242 3HD1 ILE 38 HD11 ILE 38 -11.324 2.472 1.345
243 H ASP 39 HN ASP 39 -7.781 3.536 5.869
244 HA ASP 39 HA ASP 39 -9.509 1.255 6.363
245 1HB ASP 39 HB2 ASP 39 -7.008 1.262 6.692
246 2HB ASP 39 HB1 ASP 39 -7.256 2.298 8.102
247 H GLU 40 HN GLU 40 -8.446 3.830 8.620
248 HA GLU 40 HA GLU 40 -9.636 4.920 10.325
249 1HB GLU 40 HB2 GLU 40 -11.295 5.102 8.282
250 2HB GLU 40 HB1 GLU 40 -12.223 3.907 9.188
251 1HG GLU 40 HG2 GLU 40 -12.026 5.444 11.203
252 2HG GLU 40 HG1 GLU 40 -11.387 6.667 10.104
No H/Q in entry = 252
Start of MODEL 11
1 1H GLN 1 HT2 GLN 1 2.987 -0.312 -10.882
2 2H GLN 1 HT1 GLN 1 2.903 1.365 -11.142
3 3H GLN 1 HT3 GLN 1 4.364 0.656 -10.654
4 HA GLN 1 HA GLN 1 3.451 0.083 -8.521
5 1HB GLN 1 HB2 GLN 1 3.230 2.315 -7.619
6 2HB GLN 1 HB1 GLN 1 4.407 2.383 -8.930
7 1HG GLN 1 HG2 GLN 1 1.740 2.767 -9.976
8 2HG GLN 1 HG1 GLN 1 2.054 3.919 -8.677
9 1HE2 GLN 1 HE22 GLN 1 3.571 4.798 -12.192
10 2HE2 GLN 1 HE21 GLN 1 2.174 3.879 -11.900
11 H MET 2 HN MET 2 1.614 0.011 -7.113
12 HA MET 2 HA MET 2 -1.010 0.825 -8.164
13 1HB MET 2 HB2 MET 2 -0.612 -2.081 -7.437
14 2HB MET 2 HB1 MET 2 -1.984 -1.338 -8.259
15 1HG MET 2 HG2 MET 2 -0.509 -0.804 -10.189
16 2HG MET 2 HG1 MET 2 0.821 -1.628 -9.375
17 1HE MET 2 HE2 MET 2 -2.138 -1.447 -11.171
18 2HE MET 2 HE1 MET 2 -1.831 -2.774 -12.287
19 3HE MET 2 HE3 MET 2 -3.056 -2.943 -11.022
20 H PHE 3 HN PHE 3 -1.742 1.883 -6.392
21 HA PHE 3 HA PHE 3 -0.977 1.795 -3.759
22 1HB PHE 3 HB2 PHE 3 -3.669 2.018 -3.377
23 2HB PHE 3 HB1 PHE 3 -2.653 3.341 -3.928
24 HD1 PHE 3 HD2 PHE 3 -4.962 0.658 -5.027
25 HD2 PHE 3 HD1 PHE 3 -2.780 4.175 -6.179
26 HE1 PHE 3 HE2 PHE 3 -6.227 0.746 -7.159
27 HE2 PHE 3 HE1 PHE 3 -4.044 4.263 -8.310
28 HZ PHE 3 HZ PHE 3 -5.768 2.548 -8.800
29 H CYS 4 HN CYS 4 -0.384 -0.451 -3.135
30 HA CYS 4 HA CYS 4 -0.825 -2.705 -2.580
31 1HB CYS 4 HB2 CYS 4 -2.019 -0.852 -0.791
32 2HB CYS 4 HB1 CYS 4 -3.167 -2.186 -0.976
33 H ASN 5 HN ASN 5 -1.477 -3.684 -4.476
34 HA ASN 5 HA ASN 5 -3.602 -3.603 -6.094
35 1HB ASN 5 HB2 ASN 5 -1.960 -5.380 -6.283
36 2HB ASN 5 HB1 ASN 5 -2.570 -6.145 -4.812
37 1HD2 ASN 5 HD21 ASN 5 -2.653 -6.616 -8.039
38 2HD2 ASN 5 HD22 ASN 5 -4.223 -7.258 -8.222
39 H GLN 6 HN GLN 6 -4.084 -6.142 -3.673
40 HA GLN 6 HA GLN 6 -6.831 -6.279 -3.763
41 1HB GLN 6 HB2 GLN 6 -5.056 -7.526 -2.240
42 2HB GLN 6 HB1 GLN 6 -5.589 -6.349 -1.039
43 1HG GLN 6 HG2 GLN 6 -7.625 -7.327 -0.806
44 2HG GLN 6 HG1 GLN 6 -7.787 -7.610 -2.540
45 1HE2 GLN 6 HE22 GLN 6 -7.453 -11.001 -1.219
46 2HE2 GLN 6 HE21 GLN 6 -8.632 -9.778 -1.372
47 H THR 7 HN THR 7 -8.448 -5.503 -2.042
48 HA THR 7 HA THR 7 -9.052 -2.850 -2.157
49 HB THR 7 HB THR 7 -9.296 -4.613 0.299
50 HG1 THR 7 HG1 THR 7 -11.193 -3.861 -1.664
51 1HG2 THR 7 HG22 THR 7 -10.672 -1.994 -0.360
52 2HG2 THR 7 HG21 THR 7 -11.038 -3.023 1.024
53 3HG2 THR 7 HG23 THR 7 -9.466 -2.231 0.905
54 H ALA 8 HN ALA 8 -6.783 -4.279 0.176
55 HA ALA 8 HA ALA 8 -5.008 -2.107 0.136
56 1HB ALA 8 HB2 ALA 8 -6.902 -0.861 1.188
57 2HB ALA 8 HB1 ALA 8 -6.821 -1.964 2.554
58 3HB ALA 8 HB3 ALA 8 -5.455 -0.914 2.192
59 H CYS 9 HN CYS 9 -3.392 -3.453 0.358
60 HA CYS 9 HA CYS 9 -3.329 -5.403 2.603
61 1HB CYS 9 HB2 CYS 9 -1.076 -6.018 1.400
62 2HB CYS 9 HB1 CYS 9 -2.606 -6.554 0.709
63 HA PRO 10 HA PRO 10 -0.505 -3.225 4.989
64 1HB PRO 10 HB2 PRO 10 1.564 -5.254 5.053
65 2HB PRO 10 HB1 PRO 10 0.441 -4.778 6.335
66 1HG PRO 10 HG2 PRO 10 0.346 -7.156 4.747
67 2HG PRO 10 HG1 PRO 10 -0.826 -6.624 5.963
68 1HD PRO 10 HD2 PRO 10 -1.175 -6.718 3.121
69 2HD PRO 10 HD1 PRO 10 -2.325 -6.132 4.340
70 H ALA 11 HN ALA 11 2.235 -3.210 5.084
71 HA ALA 11 HA ALA 11 2.963 -2.367 2.309
72 1HB ALA 11 HB1 ALA 11 2.745 -0.755 4.577
73 2HB ALA 11 HB3 ALA 11 4.478 -1.029 4.404
74 3HB ALA 11 HB2 ALA 11 3.557 -0.332 3.070
75 H ASP 12 HN ASP 12 3.513 -4.916 2.854
76 HA ASP 12 HA ASP 12 6.333 -5.017 3.819
77 1HB ASP 12 HB2 ASP 12 4.311 -6.632 4.545
78 2HB ASP 12 HB1 ASP 12 4.835 -7.496 3.095
79 H CYS 13 HN CYS 13 6.435 -3.800 1.544
80 HA CYS 13 HA CYS 13 6.126 -4.856 -0.942
81 1HB CYS 13 HB2 CYS 13 8.645 -3.549 0.121
82 2HB CYS 13 HB1 CYS 13 8.281 -3.773 -1.594
83 H ASP 14 HN ASP 14 6.363 -6.932 -1.555
84 HA ASP 14 HA ASP 14 8.467 -8.633 -0.424
85 1HB ASP 14 HB2 ASP 14 5.952 -9.015 -1.724
86 2HB ASP 14 HB1 ASP 14 7.186 -9.841 -2.683
87 HA PRO 15 HA PRO 15 11.031 -8.368 -3.979
88 1HB PRO 15 HB2 PRO 15 11.114 -11.091 -4.913
89 2HB PRO 15 HB1 PRO 15 12.267 -10.264 -3.857
90 1HG PRO 15 HG2 PRO 15 10.372 -12.290 -3.123
91 2HG PRO 15 HG1 PRO 15 11.489 -11.421 -2.063
92 1HD PRO 15 HD2 PRO 15 8.627 -11.119 -2.253
93 2HD PRO 15 HD1 PRO 15 9.745 -10.277 -1.165
94 H ASN 16 HN ASN 16 8.492 -10.688 -4.980
95 HA ASN 16 HA ASN 16 8.615 -9.615 -7.737
96 1HB ASN 16 HB2 ASN 16 6.748 -11.756 -6.701
97 2HB ASN 16 HB1 ASN 16 7.266 -11.478 -8.364
98 1HD2 ASN 16 HD22 ASN 16 9.610 -13.672 -5.863
99 2HD2 ASN 16 HD21 ASN 16 8.158 -12.965 -5.313
100 H THR 17 HN THR 17 7.679 -7.861 -5.643
101 HA THR 17 HA THR 17 5.292 -6.859 -6.862
102 HB THR 17 HB THR 17 4.248 -8.815 -5.780
103 HG1 THR 17 HG1 THR 17 2.637 -7.577 -5.299
104 1HG2 THR 17 HG21 THR 17 6.037 -8.053 -3.649
105 2HG2 THR 17 HG23 THR 17 4.380 -8.121 -3.048
106 3HG2 THR 17 HG22 THR 17 5.095 -9.533 -3.827
107 H GLN 18 HN GLN 18 6.950 -5.101 -6.589
108 HA GLN 18 HA GLN 18 7.218 -4.086 -3.818
109 1HB GLN 18 HB2 GLN 18 8.520 -3.424 -6.449
110 2HB GLN 18 HB1 GLN 18 8.598 -2.278 -5.110
111 1HG GLN 18 HG2 GLN 18 9.277 -4.514 -3.780
112 2HG GLN 18 HG1 GLN 18 9.861 -4.961 -5.383
113 1HE2 GLN 18 HE22 GLN 18 12.774 -3.229 -4.101
114 2HE2 GLN 18 HE21 GLN 18 12.041 -4.770 -4.122
115 H ALA 19 HN ALA 19 4.588 -4.038 -4.938
116 HA ALA 19 HA ALA 19 4.160 -1.173 -5.616
117 1HB ALA 19 HB1 ALA 19 2.584 -3.691 -5.967
118 2HB ALA 19 HB3 ALA 19 1.694 -2.178 -5.792
119 3HB ALA 19 HB2 ALA 19 2.856 -2.371 -7.105
120 H SER 20 HN SER 20 3.793 -3.482 -3.061
121 HA SER 20 HA SER 20 1.751 -2.209 -1.525
122 1HB SER 20 HB2 SER 20 2.722 -4.510 -1.120
123 2HB SER 20 HB1 SER 20 4.154 -3.723 -0.462
124 HG SER 20 HG SER 20 1.747 -4.169 0.681
125 H CYS 21 HN CYS 21 4.338 -2.174 0.564
126 HA CYS 21 HA CYS 21 4.190 0.546 1.172
127 1HB CYS 21 HB2 CYS 21 6.158 0.323 2.443
128 2HB CYS 21 HB1 CYS 21 5.482 -1.306 2.423
129 H GLU 22 HN GLU 22 6.180 2.186 0.735
130 HA GLU 22 HA GLU 22 7.133 3.517 -0.992
131 1HB GLU 22 HB2 GLU 22 7.485 1.113 -2.742
132 2HB GLU 22 HB1 GLU 22 8.619 2.421 -2.405
133 1HG GLU 22 HG2 GLU 22 8.279 1.206 0.068
134 2HG GLU 22 HG1 GLU 22 8.300 -0.147 -1.062
135 H CYS 23 HN CYS 23 4.375 2.531 -0.783
136 HA CYS 23 HA CYS 23 3.085 1.933 -3.206
137 1HB CYS 23 HB2 CYS 23 2.494 2.455 -0.506
138 2HB CYS 23 HB1 CYS 23 1.473 3.539 -1.450
139 HA PRO 24 HA PRO 24 2.204 5.022 -6.077
140 1HB PRO 24 HB2 PRO 24 0.041 6.174 -4.372
141 2HB PRO 24 HB1 PRO 24 -0.001 5.699 -6.081
142 1HG PRO 24 HG2 PRO 24 -1.125 4.196 -4.123
143 2HG PRO 24 HG1 PRO 24 -0.443 3.475 -5.590
144 1HD PRO 24 HD2 PRO 24 0.560 3.477 -2.843
145 2HD PRO 24 HD1 PRO 24 0.901 2.328 -4.150
146 H GLU 25 HN GLU 25 3.094 7.011 -6.444
147 HA GLU 25 HA GLU 25 4.565 8.331 -4.372
148 1HB GLU 25 HB2 GLU 25 4.676 8.428 -7.066
149 2HB GLU 25 HB1 GLU 25 3.749 9.899 -6.766
150 1HG GLU 25 HG2 GLU 25 5.712 10.095 -4.862
151 2HG GLU 25 HG1 GLU 25 6.580 9.313 -6.184
152 H GLY 26 HN GLY 26 3.077 8.747 -2.718
153 1HA GLY 26 HA2 GLY 26 2.037 11.006 -1.995
154 2HA GLY 26 HA1 GLY 26 0.917 10.709 -3.334
155 H TYR 27 HN TYR 27 0.837 7.810 -2.933
156 HA TYR 27 HA TYR 27 -1.344 7.615 -1.179
157 1HB TYR 27 HB2 TYR 27 0.325 5.732 -2.623
158 2HB TYR 27 HB1 TYR 27 -0.151 5.089 -1.043
159 HD1 TYR 27 HD1 TYR 27 -1.609 7.042 -3.882
160 HD2 TYR 27 HD2 TYR 27 -2.245 4.011 -0.905
161 HE1 TYR 27 HE1 TYR 27 -3.888 6.659 -4.771
162 HE2 TYR 27 HE2 TYR 27 -4.526 3.632 -1.805
163 HH TYR 27 HH TYR 27 -5.832 3.974 -3.721
164 H ILE 28 HN ILE 28 -0.854 5.695 0.773
165 HA ILE 28 HA ILE 28 1.486 5.814 2.271
166 HB ILE 28 HB ILE 28 1.410 8.188 2.466
167 1HG1 ILE 28 HG12 ILE 28 0.039 7.194 4.978
168 2HG1 ILE 28 HG11 ILE 28 1.739 6.877 4.615
169 1HG2 ILE 28 HG21 ILE 28 -1.350 7.830 2.103
170 2HG2 ILE 28 HG23 ILE 28 -1.189 8.548 3.706
171 3HG2 ILE 28 HG22 ILE 28 -0.504 9.365 2.302
172 1HD1 ILE 28 HD11 ILE 28 1.728 9.527 4.199
173 2HD1 ILE 28 HD13 ILE 28 0.404 9.437 5.361
174 3HD1 ILE 28 HD12 ILE 28 2.003 8.832 5.797
175 H LEU 29 HN LEU 29 1.178 5.114 4.529
176 HA LEU 29 HA LEU 29 -1.276 3.497 4.771
177 1HB LEU 29 HB2 LEU 29 1.072 3.583 6.678
178 2HB LEU 29 HB1 LEU 29 -0.117 2.290 6.478
179 HG LEU 29 HG LEU 29 1.480 3.139 4.119
180 1HD1 LEU 29 HD11 LEU 29 2.670 2.251 6.540
181 2HD1 LEU 29 HD13 LEU 29 2.766 0.929 5.378
182 3HD1 LEU 29 HD12 LEU 29 3.448 2.504 4.978
183 1HD2 LEU 29 HD23 LEU 29 -0.369 1.105 4.786
184 2HD2 LEU 29 HD22 LEU 29 0.489 1.310 3.260
185 3HD2 LEU 29 HD21 LEU 29 1.186 0.314 4.537
186 H ASP 30 HN ASP 30 -0.550 3.746 7.827
187 HA ASP 30 HA ASP 30 -0.923 6.144 9.027
188 1HB ASP 30 HB2 ASP 30 -3.306 5.552 7.380
189 2HB ASP 30 HB1 ASP 30 -3.658 6.034 9.040
190 H ASP 31 HN ASP 31 -0.181 4.785 10.743
191 HA ASP 31 HA ASP 31 -0.386 3.215 12.499
192 1HB ASP 31 HB2 ASP 31 -3.268 4.071 12.653
193 2HB ASP 31 HB1 ASP 31 -2.131 3.763 13.967
194 H GLY 32 HN GLY 32 -1.146 2.338 9.742
195 1HA GLY 32 HA2 GLY 32 -2.670 -0.082 10.551
196 2HA GLY 32 HA1 GLY 32 -3.208 0.823 9.137
197 H PHE 33 HN PHE 33 -0.386 1.487 8.398
198 HA PHE 33 HA PHE 33 1.309 0.594 7.076
199 1HB PHE 33 HB2 PHE 33 0.610 -1.821 8.755
200 2HB PHE 33 HB1 PHE 33 1.837 -1.890 7.487
201 HD1 PHE 33 HD1 PHE 33 3.924 -0.640 7.673
202 HD2 PHE 33 HD2 PHE 33 0.941 -0.454 10.758
203 HE1 PHE 33 HE1 PHE 33 5.574 0.400 9.206
204 HE2 PHE 33 HE2 PHE 33 2.590 0.586 12.291
205 HZ PHE 33 HZ PHE 33 4.907 1.012 11.515
206 H ILE 34 HN ILE 34 -1.833 0.168 6.633
207 HA ILE 34 HA ILE 34 -1.545 -1.812 4.430
208 HB ILE 34 HB ILE 34 -4.095 -0.541 5.457
209 1HG1 ILE 34 HG12 ILE 34 -3.112 -1.866 7.249
210 2HG1 ILE 34 HG11 ILE 34 -4.441 -2.791 6.536
211 1HG2 ILE 34 HG22 ILE 34 -3.874 -1.548 3.080
212 2HG2 ILE 34 HG21 ILE 34 -3.740 -3.105 3.897
213 3HG2 ILE 34 HG23 ILE 34 -5.199 -2.132 4.085
214 1HD1 ILE 34 HD13 ILE 34 -2.335 -3.527 4.947
215 2HD1 ILE 34 HD12 ILE 34 -1.549 -3.339 6.515
216 3HD1 ILE 34 HD11 ILE 34 -2.906 -4.451 6.336
217 H CYS 35 HN CYS 35 -0.750 -0.724 2.693
218 HA CYS 35 HA CYS 35 -1.317 2.036 2.101
219 1HB CYS 35 HB2 CYS 35 0.598 1.205 1.024
220 2HB CYS 35 HB1 CYS 35 -0.213 -0.270 0.500
221 H THR 36 HN THR 36 -3.002 2.942 1.004
222 HA THR 36 HA THR 36 -4.655 2.045 -0.976
223 HB THR 36 HB THR 36 -5.358 0.738 1.602
224 HG1 THR 36 HG1 THR 36 -5.945 -0.052 -1.032
225 1HG2 THR 36 HG22 THR 36 -7.265 2.154 -0.158
226 2HG2 THR 36 HG21 THR 36 -7.688 0.481 0.194
227 3HG2 THR 36 HG23 THR 36 -7.458 1.628 1.514
228 H ASP 37 HN ASP 37 -5.021 3.185 2.350
229 HA ASP 37 HA ASP 37 -5.736 5.286 3.154
230 1HB ASP 37 HB2 ASP 37 -4.799 5.891 0.631
231 2HB ASP 37 HB1 ASP 37 -6.478 6.427 0.548
232 H ILE 38 HN ILE 38 -7.731 5.442 4.046
233 HA ILE 38 HA ILE 38 -10.113 5.122 2.303
234 HB ILE 38 HB ILE 38 -11.147 3.518 3.797
235 1HG1 ILE 38 HG12 ILE 38 -8.631 3.906 5.448
236 2HG1 ILE 38 HG11 ILE 38 -10.290 4.279 5.928
237 1HG2 ILE 38 HG21 ILE 38 -9.199 2.884 2.085
238 2HG2 ILE 38 HG23 ILE 38 -8.395 2.374 3.569
239 3HG2 ILE 38 HG22 ILE 38 -9.945 1.664 3.118
240 1HD1 ILE 38 HD11 ILE 38 -10.420 1.608 5.168
241 2HD1 ILE 38 HD13 ILE 38 -8.869 1.724 5.999
242 3HD1 ILE 38 HD12 ILE 38 -10.351 2.206 6.826
243 H ASP 39 HN ASP 39 -12.027 5.199 4.357
244 HA ASP 39 HA ASP 39 -11.865 8.018 5.099
245 1HB ASP 39 HB2 ASP 39 -14.087 7.515 6.217
246 2HB ASP 39 HB1 ASP 39 -14.031 7.169 4.484
247 H GLU 40 HN GLU 40 -10.898 8.739 6.927
248 HA GLU 40 HA GLU 40 -9.864 8.682 9.040
249 1HB GLU 40 HB2 GLU 40 -12.357 8.596 9.565
250 2HB GLU 40 HB1 GLU 40 -12.167 6.852 9.756
251 1HG GLU 40 HG2 GLU 40 -11.522 7.228 11.879
252 2HG GLU 40 HG1 GLU 40 -10.067 7.993 11.239
No H/Q in entry = 252
Start of MODEL 12
1 1H GLN 1 HT3 GLN 1 -1.369 -4.475 -6.123
2 2H GLN 1 HT2 GLN 1 -1.113 -5.752 -7.213
3 3H GLN 1 HT1 GLN 1 -1.157 -6.055 -5.542
4 HA GLN 1 HA GLN 1 0.928 -5.260 -5.172
5 1HB GLN 1 HB2 GLN 1 2.387 -6.096 -6.919
6 2HB GLN 1 HB1 GLN 1 0.990 -7.168 -6.816
7 1HG GLN 1 HG2 GLN 1 0.075 -5.347 -8.617
8 2HG GLN 1 HG1 GLN 1 1.800 -5.326 -8.990
9 1HE2 GLN 1 HE22 GLN 1 -0.412 -8.653 -9.839
10 2HE2 GLN 1 HE21 GLN 1 -1.088 -7.383 -8.938
11 H MET 2 HN MET 2 -0.082 -2.902 -5.193
12 HA MET 2 HA MET 2 1.741 -1.057 -6.127
13 1HB MET 2 HB2 MET 2 0.154 -2.130 -8.325
14 2HB MET 2 HB1 MET 2 -0.033 -0.382 -8.185
15 1HG MET 2 HG2 MET 2 2.691 -0.773 -7.802
16 2HG MET 2 HG1 MET 2 2.282 -1.933 -9.065
17 1HE MET 2 HE2 MET 2 3.504 -1.242 -10.628
18 2HE MET 2 HE1 MET 2 2.240 -0.907 -11.809
19 3HE MET 2 HE3 MET 2 3.531 0.270 -11.532
20 H PHE 3 HN PHE 3 1.150 0.875 -5.191
21 HA PHE 3 HA PHE 3 -0.175 2.285 -3.843
22 1HB PHE 3 HB2 PHE 3 -2.125 1.966 -6.106
23 2HB PHE 3 HB1 PHE 3 -1.727 3.418 -5.189
24 HD1 PHE 3 HD2 PHE 3 1.354 2.756 -5.252
25 HD2 PHE 3 HD1 PHE 3 -1.692 3.064 -8.264
26 HE1 PHE 3 HE2 PHE 3 3.078 3.338 -6.936
27 HE2 PHE 3 HE1 PHE 3 0.032 3.646 -9.949
28 HZ PHE 3 HZ PHE 3 2.418 3.783 -9.284
29 H CYS 4 HN CYS 4 -0.660 -0.679 -3.487
30 HA CYS 4 HA CYS 4 -2.475 -2.164 -2.935
31 1HB CYS 4 HB2 CYS 4 -1.445 -1.371 -0.818
32 2HB CYS 4 HB1 CYS 4 -2.593 -0.022 -0.781
33 H ASN 5 HN ASN 5 -4.110 -1.936 -4.546
34 HA ASN 5 HA ASN 5 -6.289 -0.020 -3.808
35 1HB ASN 5 HB2 ASN 5 -6.387 -1.074 -6.547
36 2HB ASN 5 HB1 ASN 5 -6.518 0.592 -5.979
37 1HD2 ASN 5 HD22 ASN 5 -3.171 -0.390 -7.805
38 2HD2 ASN 5 HD21 ASN 5 -4.700 -1.110 -8.042
39 H GLN 6 HN GLN 6 -7.548 -1.402 -2.550
40 HA GLN 6 HA GLN 6 -9.495 -3.024 -3.647
41 1HB GLN 6 HB2 GLN 6 -7.938 -4.567 -4.587
42 2HB GLN 6 HB1 GLN 6 -6.953 -4.582 -3.124
43 1HG GLN 6 HG2 GLN 6 -8.182 -6.254 -2.251
44 2HG GLN 6 HG1 GLN 6 -9.674 -5.350 -2.508
45 1HE2 GLN 6 HE22 GLN 6 -8.985 -8.490 -4.847
46 2HE2 GLN 6 HE21 GLN 6 -8.235 -8.222 -3.338
47 H THR 7 HN THR 7 -10.467 -1.989 -1.778
48 HA THR 7 HA THR 7 -11.026 -1.782 0.512
49 HB THR 7 HB THR 7 -10.463 -4.588 1.123
50 HG1 THR 7 HG1 THR 7 -10.764 -5.104 -0.935
51 1HG2 THR 7 HG21 THR 7 -12.754 -2.668 1.153
52 2HG2 THR 7 HG23 THR 7 -13.115 -4.394 1.201
53 3HG2 THR 7 HG22 THR 7 -12.113 -3.668 2.457
54 H ALA 8 HN ALA 8 -8.182 -1.540 -0.283
55 HA ALA 8 HA ALA 8 -6.185 -1.089 0.845
56 1HB ALA 8 HB2 ALA 8 -7.723 -0.508 2.789
57 2HB ALA 8 HB1 ALA 8 -7.482 -2.160 3.356
58 3HB ALA 8 HB3 ALA 8 -6.108 -1.061 3.229
59 H CYS 9 HN CYS 9 -4.480 -2.353 2.116
60 HA CYS 9 HA CYS 9 -4.556 -5.165 2.489
61 1HB CYS 9 HB2 CYS 9 -3.592 -6.020 0.452
62 2HB CYS 9 HB1 CYS 9 -4.999 -5.067 -0.030
63 HA PRO 10 HA PRO 10 -0.926 -4.087 4.508
64 1HB PRO 10 HB2 PRO 10 0.626 -6.323 3.601
65 2HB PRO 10 HB1 PRO 10 -0.124 -6.074 5.185
66 1HG PRO 10 HG2 PRO 10 -0.968 -7.851 3.083
67 2HG PRO 10 HG1 PRO 10 -1.689 -7.627 4.685
68 1HD PRO 10 HD2 PRO 10 -2.752 -6.788 2.164
69 2HD PRO 10 HD1 PRO 10 -3.429 -6.492 3.778
70 H ALA 11 HN ALA 11 1.648 -4.386 3.927
71 HA ALA 11 HA ALA 11 2.045 -3.349 1.153
72 1HB ALA 11 HB2 ALA 11 1.927 -1.464 2.815
73 2HB ALA 11 HB1 ALA 11 3.317 -2.167 3.642
74 3HB ALA 11 HB3 ALA 11 3.481 -1.573 1.989
75 H ASP 12 HN ASP 12 2.613 -5.931 2.665
76 HA ASP 12 HA ASP 12 5.288 -6.317 3.326
77 1HB ASP 12 HB2 ASP 12 3.165 -7.988 2.896
78 2HB ASP 12 HB1 ASP 12 4.210 -8.404 1.533
79 H CYS 13 HN CYS 13 6.686 -4.997 2.076
80 HA CYS 13 HA CYS 13 6.750 -4.764 -0.727
81 1HB CYS 13 HB2 CYS 13 9.250 -4.945 0.967
82 2HB CYS 13 HB1 CYS 13 9.000 -4.001 -0.505
83 H ASP 14 HN ASP 14 8.226 -5.859 -2.284
84 HA ASP 14 HA ASP 14 9.555 -8.314 -1.659
85 1HB ASP 14 HB2 ASP 14 6.711 -8.514 -1.840
86 2HB ASP 14 HB1 ASP 14 7.401 -9.303 -3.264
87 HA PRO 15 HA PRO 15 11.107 -7.746 -5.664
88 1HB PRO 15 HB2 PRO 15 10.892 -10.452 -6.610
89 2HB PRO 15 HB1 PRO 15 12.331 -9.625 -5.997
90 1HG PRO 15 HG2 PRO 15 10.793 -11.684 -4.695
91 2HG PRO 15 HG1 PRO 15 12.234 -10.856 -4.089
92 1HD PRO 15 HD2 PRO 15 9.516 -10.535 -3.202
93 2HD PRO 15 HD1 PRO 15 10.962 -9.697 -2.607
94 H ASN 16 HN ASN 16 8.410 -10.107 -5.712
95 HA ASN 16 HA ASN 16 7.537 -9.135 -8.345
96 1HB ASN 16 HB2 ASN 16 5.789 -10.828 -8.159
97 2HB ASN 16 HB1 ASN 16 7.334 -11.540 -7.693
98 1HD2 ASN 16 HD22 ASN 16 6.066 -12.490 -4.555
99 2HD2 ASN 16 HD21 ASN 16 7.124 -12.810 -5.853
100 H THR 17 HN THR 17 7.049 -8.253 -5.098
101 HA THR 17 HA THR 17 4.730 -6.568 -5.922
102 HB THR 17 HB THR 17 3.851 -6.951 -3.538
103 HG1 THR 17 HG1 THR 17 4.544 -9.092 -2.789
104 1HG2 THR 17 HG22 THR 17 3.755 -8.754 -5.878
105 2HG2 THR 17 HG21 THR 17 3.205 -9.467 -4.361
106 3HG2 THR 17 HG23 THR 17 2.437 -8.004 -4.977
107 H GLN 18 HN GLN 18 7.087 -5.392 -6.022
108 HA GLN 18 HA GLN 18 7.828 -4.286 -3.388
109 1HB GLN 18 HB2 GLN 18 9.158 -4.672 -5.870
110 2HB GLN 18 HB1 GLN 18 9.099 -2.932 -5.585
111 1HG GLN 18 HG2 GLN 18 10.235 -3.114 -3.520
112 2HG GLN 18 HG1 GLN 18 9.927 -4.847 -3.405
113 1HE2 GLN 18 HE22 GLN 18 13.459 -4.349 -4.578
114 2HE2 GLN 18 HE21 GLN 18 12.585 -3.867 -3.195
115 H ALA 19 HN ALA 19 5.149 -3.713 -4.443
116 HA ALA 19 HA ALA 19 5.401 -0.743 -4.580
117 1HB ALA 19 HB2 ALA 19 4.852 -1.752 -6.822
118 2HB ALA 19 HB1 ALA 19 3.358 -2.367 -6.115
119 3HB ALA 19 HB3 ALA 19 3.634 -0.628 -6.218
120 H SER 20 HN SER 20 4.220 -3.349 -2.873
121 HA SER 20 HA SER 20 1.639 -2.244 -2.129
122 1HB SER 20 HB2 SER 20 2.647 -4.731 -1.921
123 2HB SER 20 HB1 SER 20 3.030 -4.146 -0.305
124 HG SER 20 HG SER 20 0.475 -3.927 -1.524
125 H CYS 21 HN CYS 21 4.758 -1.429 -1.417
126 HA CYS 21 HA CYS 21 3.881 0.075 1.004
127 1HB CYS 21 HB2 CYS 21 6.372 -0.106 1.699
128 2HB CYS 21 HB1 CYS 21 5.353 -1.528 1.924
129 H GLU 22 HN GLU 22 6.368 1.624 1.144
130 HA GLU 22 HA GLU 22 7.052 3.691 0.205
131 1HB GLU 22 HB2 GLU 22 7.068 2.903 -2.577
132 2HB GLU 22 HB1 GLU 22 8.444 3.181 -1.511
133 1HG GLU 22 HG2 GLU 22 7.907 0.811 -0.575
134 2HG GLU 22 HG1 GLU 22 6.978 0.607 -2.061
135 H CYS 23 HN CYS 23 4.278 3.039 0.467
136 HA CYS 23 HA CYS 23 2.314 3.313 -1.170
137 1HB CYS 23 HB2 CYS 23 2.934 5.124 1.118
138 2HB CYS 23 HB1 CYS 23 1.513 5.471 0.127
139 HA PRO 24 HA PRO 24 2.664 5.837 -4.682
140 1HB PRO 24 HB2 PRO 24 0.069 6.998 -3.777
141 2HB PRO 24 HB1 PRO 24 0.484 6.256 -5.334
142 1HG PRO 24 HG2 PRO 24 -1.029 5.012 -3.407
143 2HG PRO 24 HG1 PRO 24 -0.070 4.148 -4.616
144 1HD PRO 24 HD2 PRO 24 0.410 4.400 -1.735
145 2HD PRO 24 HD1 PRO 24 1.134 3.269 -2.897
146 H GLU 25 HN GLU 25 3.020 8.114 -5.155
147 HA GLU 25 HA GLU 25 4.115 9.620 -2.971
148 1HB GLU 25 HB2 GLU 25 4.047 11.532 -4.700
149 2HB GLU 25 HB1 GLU 25 4.995 10.109 -5.131
150 1HG GLU 25 HG2 GLU 25 3.605 9.552 -6.837
151 2HG GLU 25 HG1 GLU 25 2.159 9.926 -5.898
152 H GLY 26 HN GLY 26 2.390 9.707 -1.421
153 1HA GLY 26 HA2 GLY 26 0.970 11.685 -0.679
154 2HA GLY 26 HA1 GLY 26 0.127 11.484 -2.219
155 H TYR 27 HN TYR 27 0.428 8.419 -1.882
156 HA TYR 27 HA TYR 27 -2.131 7.899 -0.895
157 1HB TYR 27 HB2 TYR 27 -0.041 6.257 -1.762
158 2HB TYR 27 HB1 TYR 27 -0.361 5.726 -0.103
159 HD1 TYR 27 HD2 TYR 27 -2.519 7.080 -2.864
160 HD2 TYR 27 HD1 TYR 27 -1.815 3.902 -0.066
161 HE1 TYR 27 HE2 TYR 27 -4.599 5.960 -3.615
162 HE2 TYR 27 HE1 TYR 27 -3.894 2.780 -0.818
163 HH TYR 27 HH TYR 27 -5.924 3.227 -1.923
164 H ILE 28 HN ILE 28 0.940 7.977 0.882
165 HA ILE 28 HA ILE 28 1.355 8.435 3.136
166 HB ILE 28 HB ILE 28 -1.200 9.620 2.595
167 1HG1 ILE 28 HG12 ILE 28 0.244 10.396 5.046
168 2HG1 ILE 28 HG11 ILE 28 1.247 10.337 3.591
169 1HG2 ILE 28 HG23 ILE 28 -0.982 8.227 5.273
170 2HG2 ILE 28 HG22 ILE 28 -2.019 9.629 5.013
171 3HG2 ILE 28 HG21 ILE 28 -2.307 8.140 4.113
172 1HD1 ILE 28 HD12 ILE 28 -1.382 11.831 3.836
173 2HD1 ILE 28 HD11 ILE 28 0.217 12.572 3.902
174 3HD1 ILE 28 HD13 ILE 28 -0.336 11.799 2.416
175 H LEU 29 HN LEU 29 1.970 6.556 4.093
176 HA LEU 29 HA LEU 29 0.390 4.189 4.229
177 1HB LEU 29 HB2 LEU 29 2.948 5.141 5.341
178 2HB LEU 29 HB1 LEU 29 2.119 3.949 6.352
179 HG LEU 29 HG LEU 29 2.608 3.625 3.394
180 1HD1 LEU 29 HD13 LEU 29 4.173 2.772 5.802
181 2HD1 LEU 29 HD12 LEU 29 4.152 1.742 4.371
182 3HD1 LEU 29 HD11 LEU 29 4.758 3.394 4.259
183 1HD2 LEU 29 HD23 LEU 29 1.251 2.052 5.525
184 2HD2 LEU 29 HD22 LEU 29 0.850 2.211 3.816
185 3HD2 LEU 29 HD21 LEU 29 2.168 1.152 4.316
186 H ASP 30 HN ASP 30 0.429 3.350 6.851
187 HA ASP 30 HA ASP 30 -1.159 5.368 8.364
188 1HB ASP 30 HB2 ASP 30 -2.078 2.502 8.173
189 2HB ASP 30 HB1 ASP 30 -2.990 3.916 8.702
190 H ASP 31 HN ASP 31 -1.829 3.880 10.555
191 HA ASP 31 HA ASP 31 0.656 3.669 11.973
192 1HB ASP 31 HB2 ASP 31 -2.211 3.156 12.552
193 2HB ASP 31 HB1 ASP 31 -1.053 2.284 13.559
194 H GLY 32 HN GLY 32 -0.888 1.538 9.832
195 1HA GLY 32 HA2 GLY 32 0.543 -0.812 10.991
196 2HA GLY 32 HA1 GLY 32 -0.835 -0.923 9.895
197 H PHE 33 HN PHE 33 1.599 1.450 9.259
198 HA PHE 33 HA PHE 33 2.827 1.728 7.267
199 1HB PHE 33 HB2 PHE 33 4.704 0.260 7.157
200 2HB PHE 33 HB1 PHE 33 4.282 0.366 8.868
201 HD1 PHE 33 HD1 PHE 33 3.210 -1.513 10.024
202 HD2 PHE 33 HD2 PHE 33 4.308 -1.776 5.880
203 HE1 PHE 33 HE1 PHE 33 2.930 -3.975 10.105
204 HE2 PHE 33 HE2 PHE 33 4.026 -4.236 5.959
205 HZ PHE 33 HZ PHE 33 3.338 -5.338 8.073
206 H ILE 34 HN ILE 34 0.153 0.431 6.970
207 HA ILE 34 HA ILE 34 0.685 -1.318 4.617
208 HB ILE 34 HB ILE 34 -1.855 -0.843 6.193
209 1HG1 ILE 34 HG12 ILE 34 -0.625 -2.348 7.495
210 2HG1 ILE 34 HG11 ILE 34 -1.500 -3.451 6.432
211 1HG2 ILE 34 HG22 ILE 34 -1.267 -2.434 3.693
212 2HG2 ILE 34 HG21 ILE 34 -2.706 -2.715 4.672
213 3HG2 ILE 34 HG23 ILE 34 -2.459 -1.151 3.890
214 1HD1 ILE 34 HD11 ILE 34 0.617 -3.146 4.881
215 2HD1 ILE 34 HD13 ILE 34 1.400 -2.681 6.390
216 3HD1 ILE 34 HD12 ILE 34 0.664 -4.276 6.231
217 H CYS 35 HN CYS 35 -0.018 -0.696 2.587
218 HA CYS 35 HA CYS 35 -0.654 2.141 2.269
219 1HB CYS 35 HB2 CYS 35 0.643 0.291 0.702
220 2HB CYS 35 HB1 CYS 35 -0.931 0.397 -0.088
221 H THR 36 HN THR 36 -2.643 2.901 1.260
222 HA THR 36 HA THR 36 -4.806 1.475 0.315
223 HB THR 36 HB THR 36 -5.037 0.082 2.197
224 HG1 THR 36 HG1 THR 36 -7.002 1.036 1.728
225 1HG2 THR 36 HG21 THR 36 -3.629 2.109 3.522
226 2HG2 THR 36 HG23 THR 36 -5.182 2.029 4.350
227 3HG2 THR 36 HG22 THR 36 -4.178 0.585 4.217
228 H ASP 37 HN ASP 37 -6.976 2.654 0.780
229 HA ASP 37 HA ASP 37 -6.571 5.472 1.618
230 1HB ASP 37 HB2 ASP 37 -7.579 6.331 -0.453
231 2HB ASP 37 HB1 ASP 37 -6.115 5.418 -0.821
232 H ILE 38 HN ILE 38 -7.941 4.245 3.321
233 HA ILE 38 HA ILE 38 -10.803 4.702 2.645
234 HB ILE 38 HB ILE 38 -11.397 2.605 3.871
235 1HG1 ILE 38 HG12 ILE 38 -8.634 1.564 3.549
236 2HG1 ILE 38 HG11 ILE 38 -8.871 2.722 4.863
237 1HG2 ILE 38 HG22 ILE 38 -9.806 2.646 1.341
238 2HG2 ILE 38 HG21 ILE 38 -10.202 1.074 2.037
239 3HG2 ILE 38 HG23 ILE 38 -11.491 2.195 1.599
240 1HD1 ILE 38 HD13 ILE 38 -10.949 1.278 5.461
241 2HD1 ILE 38 HD12 ILE 38 -10.191 0.044 4.454
242 3HD1 ILE 38 HD11 ILE 38 -9.353 0.655 5.881
243 H ASP 39 HN ASP 39 -8.637 6.059 4.283
244 HA ASP 39 HA ASP 39 -9.320 5.674 7.069
245 1HB ASP 39 HB2 ASP 39 -8.175 8.242 6.004
246 2HB ASP 39 HB1 ASP 39 -7.803 7.396 7.511
247 H GLU 40 HN GLU 40 -11.302 6.199 7.856
248 HA GLU 40 HA GLU 40 -13.251 7.438 8.274
249 1HB GLU 40 HB2 GLU 40 -11.213 9.276 8.193
250 2HB GLU 40 HB1 GLU 40 -12.298 9.894 6.947
251 1HG GLU 40 HG2 GLU 40 -14.074 9.247 8.927
252 2HG GLU 40 HG1 GLU 40 -12.676 9.761 9.871
No H/Q in entry = 252
Start of MODEL 13
1 1H GLN 1 HT2 GLN 1 -0.333 1.161 -10.503
2 2H GLN 1 HT1 GLN 1 0.961 2.019 -11.193
3 3H GLN 1 HT3 GLN 1 1.092 0.346 -10.941
4 HA GLN 1 HA GLN 1 2.325 1.290 -9.212
5 1HB GLN 1 HB2 GLN 1 0.250 3.359 -9.449
6 2HB GLN 1 HB1 GLN 1 0.676 2.978 -7.780
7 1HG GLN 1 HG2 GLN 1 3.071 3.299 -8.331
8 2HG GLN 1 HG1 GLN 1 2.622 3.726 -9.983
9 1HE2 GLN 1 HE22 GLN 1 1.172 6.896 -8.995
10 2HE2 GLN 1 HE21 GLN 1 0.948 5.627 -10.099
11 H MET 2 HN MET 2 -1.227 1.098 -8.799
12 HA MET 2 HA MET 2 -2.504 -0.298 -7.411
13 1HB MET 2 HB2 MET 2 0.042 -1.891 -7.024
14 2HB MET 2 HB1 MET 2 -1.618 -2.459 -6.846
15 1HG MET 2 HG2 MET 2 -1.772 -1.601 -9.378
16 2HG MET 2 HG1 MET 2 -0.044 -1.952 -9.329
17 1HE MET 2 HE1 MET 2 -1.917 -2.900 -11.131
18 2HE MET 2 HE3 MET 2 -0.993 -4.389 -11.371
19 3HE MET 2 HE2 MET 2 -2.703 -4.467 -10.956
20 H PHE 3 HN PHE 3 -3.093 0.304 -5.392
21 HA PHE 3 HA PHE 3 -0.994 1.274 -3.528
22 1HB PHE 3 HB2 PHE 3 -3.724 1.437 -2.519
23 2HB PHE 3 HB1 PHE 3 -2.554 2.727 -2.785
24 HD1 PHE 3 HD2 PHE 3 -2.261 3.649 -5.145
25 HD2 PHE 3 HD1 PHE 3 -5.527 1.093 -4.024
26 HE1 PHE 3 HE2 PHE 3 -3.523 4.381 -7.150
27 HE2 PHE 3 HE1 PHE 3 -6.788 1.825 -6.031
28 HZ PHE 3 HZ PHE 3 -5.786 3.469 -7.593
29 H CYS 4 HN CYS 4 -0.126 -0.654 -2.681
30 HA CYS 4 HA CYS 4 -0.049 -2.357 -1.082
31 1HB CYS 4 HB2 CYS 4 -1.499 -2.093 0.648
32 2HB CYS 4 HB1 CYS 4 -2.371 -0.912 -0.324
33 H ASN 5 HN ASN 5 -1.355 -2.330 -3.984
34 HA ASN 5 HA ASN 5 -1.726 -4.074 -5.526
35 1HB ASN 5 HB2 ASN 5 -0.152 -5.268 -3.696
36 2HB ASN 5 HB1 ASN 5 -1.639 -6.184 -3.425
37 1HD2 ASN 5 HD22 ASN 5 -1.547 -7.783 -6.624
38 2HD2 ASN 5 HD21 ASN 5 -2.559 -7.358 -5.318
39 H GLN 6 HN GLN 6 -3.790 -2.826 -3.657
40 HA GLN 6 HA GLN 6 -6.092 -4.162 -4.625
41 1HB GLN 6 HB2 GLN 6 -4.990 -5.808 -2.820
42 2HB GLN 6 HB1 GLN 6 -5.885 -4.772 -1.708
43 1HG GLN 6 HG2 GLN 6 -7.941 -5.160 -3.091
44 2HG GLN 6 HG1 GLN 6 -7.023 -6.318 -4.053
45 1HE2 GLN 6 HE22 GLN 6 -6.570 -8.124 -0.661
46 2HE2 GLN 6 HE21 GLN 6 -5.492 -7.084 -1.477
47 H THR 7 HN THR 7 -8.111 -3.339 -3.466
48 HA THR 7 HA THR 7 -8.162 -0.585 -3.176
49 HB THR 7 HB THR 7 -10.244 -1.784 -3.216
50 HG1 THR 7 HG1 THR 7 -9.865 -0.686 -0.630
51 1HG2 THR 7 HG21 THR 7 -9.115 -3.751 -1.897
52 2HG2 THR 7 HG23 THR 7 -9.760 -2.922 -0.480
53 3HG2 THR 7 HG22 THR 7 -10.852 -3.488 -1.744
54 H ALA 8 HN ALA 8 -7.727 -2.942 -0.521
55 HA ALA 8 HA ALA 8 -5.964 -1.058 0.857
56 1HB ALA 8 HB3 ALA 8 -8.282 -0.348 1.544
57 2HB ALA 8 HB2 ALA 8 -8.493 -1.945 2.263
58 3HB ALA 8 HB1 ALA 8 -7.253 -0.856 2.883
59 H CYS 9 HN CYS 9 -4.610 -2.120 2.271
60 HA CYS 9 HA CYS 9 -5.015 -4.643 3.519
61 1HB CYS 9 HB2 CYS 9 -3.981 -6.201 2.047
62 2HB CYS 9 HB1 CYS 9 -5.083 -5.294 1.014
63 HA PRO 10 HA PRO 10 -1.391 -3.585 5.510
64 1HB PRO 10 HB2 PRO 10 0.028 -6.077 4.980
65 2HB PRO 10 HB1 PRO 10 -0.588 -5.445 6.515
66 1HG PRO 10 HG2 PRO 10 -1.718 -7.543 4.967
67 2HG PRO 10 HG1 PRO 10 -2.428 -6.771 6.393
68 1HD PRO 10 HD2 PRO 10 -3.285 -6.571 3.663
69 2HD PRO 10 HD1 PRO 10 -4.002 -5.803 5.093
70 H ALA 11 HN ALA 11 1.262 -4.269 5.066
71 HA ALA 11 HA ALA 11 1.732 -3.402 2.242
72 1HB ALA 11 HB2 ALA 11 2.993 -2.252 4.748
73 2HB ALA 11 HB1 ALA 11 3.523 -1.888 3.107
74 3HB ALA 11 HB3 ALA 11 1.909 -1.416 3.635
75 H ASP 12 HN ASP 12 2.148 -5.868 2.258
76 HA ASP 12 HA ASP 12 4.730 -6.633 3.472
77 1HB ASP 12 HB2 ASP 12 2.755 -8.205 3.403
78 2HB ASP 12 HB1 ASP 12 2.934 -8.259 1.645
79 H CYS 13 HN CYS 13 6.075 -5.161 2.203
80 HA CYS 13 HA CYS 13 6.127 -4.911 -0.586
81 1HB CYS 13 HB2 CYS 13 8.733 -5.219 0.890
82 2HB CYS 13 HB1 CYS 13 8.328 -4.117 -0.425
83 H ASP 14 HN ASP 14 7.278 -6.090 -2.254
84 HA ASP 14 HA ASP 14 7.918 -8.906 -1.464
85 1HB ASP 14 HB2 ASP 14 5.896 -8.010 -3.196
86 2HB ASP 14 HB1 ASP 14 7.174 -8.613 -4.256
87 HA PRO 15 HA PRO 15 11.692 -8.232 -3.543
88 1HB PRO 15 HB2 PRO 15 12.088 -10.938 -4.387
89 2HB PRO 15 HB1 PRO 15 12.735 -10.156 -2.938
90 1HG PRO 15 HG2 PRO 15 10.640 -12.140 -3.098
91 2HG PRO 15 HG1 PRO 15 11.329 -11.394 -1.650
92 1HD PRO 15 HD2 PRO 15 8.743 -10.914 -2.810
93 2HD PRO 15 HD1 PRO 15 9.451 -10.147 -1.376
94 H ASN 16 HN ASN 16 9.010 -9.602 -5.203
95 HA ASN 16 HA ASN 16 10.153 -8.715 -7.800
96 1HB ASN 16 HB2 ASN 16 8.969 -10.741 -8.801
97 2HB ASN 16 HB1 ASN 16 10.417 -11.103 -7.861
98 1HD2 ASN 16 HD22 ASN 16 6.897 -12.657 -6.692
99 2HD2 ASN 16 HD21 ASN 16 7.101 -11.859 -8.186
100 H THR 17 HN THR 17 8.253 -7.709 -5.736
101 HA THR 17 HA THR 17 6.134 -6.855 -7.520
102 HB THR 17 HB THR 17 5.696 -8.998 -5.460
103 HG1 THR 17 HG1 THR 17 4.099 -9.491 -7.179
104 1HG2 THR 17 HG22 THR 17 3.907 -6.676 -6.004
105 2HG2 THR 17 HG21 THR 17 3.171 -8.267 -5.807
106 3HG2 THR 17 HG23 THR 17 4.152 -7.584 -4.511
107 H GLN 18 HN GLN 18 7.422 -4.956 -6.694
108 HA GLN 18 HA GLN 18 7.470 -4.179 -3.960
109 1HB GLN 18 HB2 GLN 18 8.360 -3.097 -6.363
110 2HB GLN 18 HB1 GLN 18 7.161 -1.930 -5.804
111 1HG GLN 18 HG2 GLN 18 8.797 -1.116 -4.470
112 2HG GLN 18 HG1 GLN 18 8.549 -2.560 -3.488
113 1HE2 GLN 18 HE22 GLN 18 11.942 -2.187 -5.694
114 2HE2 GLN 18 HE21 GLN 18 10.734 -0.984 -5.723
115 H ALA 19 HN ALA 19 4.814 -4.421 -6.102
116 HA ALA 19 HA ALA 19 3.128 -2.304 -5.350
117 1HB ALA 19 HB2 ALA 19 2.821 -4.759 -6.698
118 2HB ALA 19 HB1 ALA 19 1.637 -4.787 -5.390
119 3HB ALA 19 HB3 ALA 19 1.627 -3.468 -6.562
120 H SER 20 HN SER 20 3.524 -1.792 -3.162
121 HA SER 20 HA SER 20 1.803 -2.459 -1.177
122 1HB SER 20 HB2 SER 20 3.219 -4.192 0.170
123 2HB SER 20 HB1 SER 20 2.207 -4.786 -1.143
124 HG SER 20 HG SER 20 4.211 -5.653 -1.453
125 H CYS 21 HN CYS 21 2.529 -1.621 0.925
126 HA CYS 21 HA CYS 21 3.676 0.102 2.055
127 1HB CYS 21 HB2 CYS 21 6.352 -0.588 1.838
128 2HB CYS 21 HB1 CYS 21 5.239 -1.176 3.073
129 H GLU 22 HN GLU 22 6.123 1.379 1.635
130 HA GLU 22 HA GLU 22 6.789 3.269 0.342
131 1HB GLU 22 HB2 GLU 22 6.856 1.779 -2.178
132 2HB GLU 22 HB1 GLU 22 8.189 2.476 -1.261
133 1HG GLU 22 HG2 GLU 22 7.654 0.420 0.360
134 2HG GLU 22 HG1 GLU 22 7.037 -0.275 -1.139
135 H CYS 23 HN CYS 23 3.995 2.758 0.582
136 HA CYS 23 HA CYS 23 2.061 2.747 -1.067
137 1HB CYS 23 HB2 CYS 23 2.838 5.056 0.631
138 2HB CYS 23 HB1 CYS 23 1.484 5.281 -0.473
139 HA PRO 24 HA PRO 24 2.537 3.997 -5.234
140 1HB PRO 24 HB2 PRO 24 0.124 5.655 -4.657
141 2HB PRO 24 HB1 PRO 24 0.388 4.463 -5.945
142 1HG PRO 24 HG2 PRO 24 -1.130 3.989 -3.688
143 2HG PRO 24 HG1 PRO 24 -0.356 2.716 -4.647
144 1HD PRO 24 HD2 PRO 24 0.320 3.640 -1.962
145 2HD PRO 24 HD1 PRO 24 0.912 2.208 -2.826
146 H GLU 25 HN GLU 25 4.446 5.292 -4.601
147 HA GLU 25 HA GLU 25 5.350 7.425 -3.714
148 1HB GLU 25 HB2 GLU 25 4.890 7.040 -6.605
149 2HB GLU 25 HB1 GLU 25 5.306 8.685 -6.121
150 1HG GLU 25 HG2 GLU 25 7.432 7.816 -6.362
151 2HG GLU 25 HG1 GLU 25 7.141 7.404 -4.671
152 H GLY 26 HN GLY 26 3.237 7.955 -2.458
153 1HA GLY 26 HA2 GLY 26 2.560 10.447 -2.169
154 2HA GLY 26 HA1 GLY 26 1.836 10.235 -3.767
155 H TYR 27 HN TYR 27 1.465 7.273 -2.398
156 HA TYR 27 HA TYR 27 -1.353 7.709 -1.933
157 1HB TYR 27 HB2 TYR 27 0.181 5.452 -2.340
158 2HB TYR 27 HB1 TYR 27 -0.297 5.307 -0.643
159 HD1 TYR 27 HD2 TYR 27 -1.882 6.514 -3.824
160 HD2 TYR 27 HD1 TYR 27 -2.277 4.121 -0.278
161 HE1 TYR 27 HE2 TYR 27 -4.167 5.863 -4.522
162 HE2 TYR 27 HE1 TYR 27 -4.566 3.471 -0.983
163 HH TYR 27 HH TYR 27 -5.843 4.346 -4.137
164 H ILE 28 HN ILE 28 1.411 7.050 0.204
165 HA ILE 28 HA ILE 28 1.823 7.937 2.349
166 HB ILE 28 HB ILE 28 -0.254 9.543 1.527
167 1HG1 ILE 28 HG12 ILE 28 0.686 9.707 4.365
168 2HG1 ILE 28 HG11 ILE 28 1.873 9.841 3.062
169 1HG2 ILE 28 HG21 ILE 28 -1.903 8.006 2.617
170 2HG2 ILE 28 HG23 ILE 28 -1.103 8.303 4.161
171 3HG2 ILE 28 HG22 ILE 28 -1.902 9.627 3.312
172 1HD1 ILE 28 HD11 ILE 28 -0.652 11.511 3.253
173 2HD1 ILE 28 HD13 ILE 28 0.943 12.056 3.771
174 3HD1 ILE 28 HD12 ILE 28 0.644 11.693 2.071
175 H LEU 29 HN LEU 29 2.159 6.203 3.644
176 HA LEU 29 HA LEU 29 0.475 3.966 3.928
177 1HB LEU 29 HB2 LEU 29 2.847 5.034 5.264
178 2HB LEU 29 HB1 LEU 29 1.786 4.158 6.376
179 HG LEU 29 HG LEU 29 2.707 3.096 3.698
180 1HD1 LEU 29 HD11 LEU 29 3.693 2.562 6.516
181 2HD1 LEU 29 HD13 LEU 29 4.075 1.528 5.140
182 3HD1 LEU 29 HD12 LEU 29 4.631 3.201 5.167
183 1HD2 LEU 29 HD23 LEU 29 1.121 1.967 6.009
184 2HD2 LEU 29 HD22 LEU 29 0.646 2.067 4.318
185 3HD2 LEU 29 HD21 LEU 29 1.895 0.928 4.813
186 H ASP 30 HN ASP 30 -0.238 3.422 6.406
187 HA ASP 30 HA ASP 30 -1.286 5.199 8.211
188 1HB ASP 30 HB2 ASP 30 -3.711 5.435 7.297
189 2HB ASP 30 HB1 ASP 30 -2.474 6.518 6.656
190 H ASP 31 HN ASP 31 -3.200 4.292 9.436
191 HA ASP 31 HA ASP 31 -4.438 2.482 10.292
192 1HB ASP 31 HB2 ASP 31 -4.298 1.976 7.502
193 2HB ASP 31 HB1 ASP 31 -3.911 0.459 8.315
194 H GLY 32 HN GLY 32 -1.190 2.624 9.799
195 1HA GLY 32 HA2 GLY 32 0.336 1.594 11.387
196 2HA GLY 32 HA1 GLY 32 -0.760 0.217 11.494
197 H PHE 33 HN PHE 33 1.098 1.941 8.987
198 HA PHE 33 HA PHE 33 2.555 1.135 7.358
199 1HB PHE 33 HB2 PHE 33 2.424 -1.211 9.204
200 2HB PHE 33 HB1 PHE 33 3.086 -1.453 7.588
201 HD1 PHE 33 HD2 PHE 33 4.572 0.824 6.891
202 HD2 PHE 33 HD1 PHE 33 4.077 -0.883 10.801
203 HE1 PHE 33 HE2 PHE 33 6.710 1.854 7.611
204 HE2 PHE 33 HE1 PHE 33 6.215 0.146 11.522
205 HZ PHE 33 HZ PHE 33 7.532 1.515 9.926
206 H ILE 34 HN ILE 34 -0.611 0.531 7.516
207 HA ILE 34 HA ILE 34 -0.655 -1.390 5.243
208 HB ILE 34 HB ILE 34 -2.903 -0.164 6.864
209 1HG1 ILE 34 HG12 ILE 34 -2.909 -2.087 8.071
210 2HG1 ILE 34 HG11 ILE 34 -2.776 -3.080 6.621
211 1HG2 ILE 34 HG22 ILE 34 -2.978 -0.972 4.173
212 2HG2 ILE 34 HG21 ILE 34 -3.644 -2.335 5.068
213 3HG2 ILE 34 HG23 ILE 34 -4.365 -0.736 5.231
214 1HD1 ILE 34 HD11 ILE 34 -0.313 -2.574 6.572
215 2HD1 ILE 34 HD13 ILE 34 -0.506 -1.729 8.101
216 3HD1 ILE 34 HD12 ILE 34 -0.813 -3.458 8.011
217 H CYS 35 HN CYS 35 -0.232 -0.439 3.378
218 HA CYS 35 HA CYS 35 -0.324 2.288 2.810
219 1HB CYS 35 HB2 CYS 35 0.663 0.445 1.364
220 2HB CYS 35 HB1 CYS 35 -0.960 0.208 0.713
221 H THR 36 HN THR 36 -2.637 0.669 0.731
222 HA THR 36 HA THR 36 -4.796 1.426 0.160
223 HB THR 36 HB THR 36 -5.095 -0.061 2.200
224 HG1 THR 36 HG1 THR 36 -7.234 1.066 2.647
225 1HG2 THR 36 HG22 THR 36 -5.096 2.657 3.514
226 2HG2 THR 36 HG21 THR 36 -5.882 1.259 4.246
227 3HG2 THR 36 HG23 THR 36 -4.145 1.237 3.946
228 H ASP 37 HN ASP 37 -6.587 3.155 1.368
229 HA ASP 37 HA ASP 37 -5.431 5.540 2.443
230 1HB ASP 37 HB2 ASP 37 -4.416 5.596 0.147
231 2HB ASP 37 HB1 ASP 37 -6.046 5.698 -0.520
232 H ILE 38 HN ILE 38 -7.454 4.959 3.634
233 HA ILE 38 HA ILE 38 -9.772 6.353 2.399
234 HB ILE 38 HB ILE 38 -11.302 4.573 3.202
235 1HG1 ILE 38 HG12 ILE 38 -8.809 2.921 3.675
236 2HG1 ILE 38 HG11 ILE 38 -9.629 3.789 4.977
237 1HG2 ILE 38 HG23 ILE 38 -9.423 4.393 1.029
238 2HG2 ILE 38 HG22 ILE 38 -9.768 2.774 1.635
239 3HG2 ILE 38 HG21 ILE 38 -11.086 3.813 1.096
240 1HD1 ILE 38 HD12 ILE 38 -11.467 2.228 3.308
241 2HD1 ILE 38 HD11 ILE 38 -10.257 1.233 4.118
242 3HD1 ILE 38 HD13 ILE 38 -11.314 2.281 5.064
243 H ASP 39 HN ASP 39 -10.974 7.522 3.902
244 HA ASP 39 HA ASP 39 -9.755 8.051 6.467
245 1HB ASP 39 HB2 ASP 39 -12.134 8.994 4.963
246 2HB ASP 39 HB1 ASP 39 -12.238 9.122 6.722
247 H GLU 40 HN GLU 40 -9.803 6.469 8.013
248 HA GLU 40 HA GLU 40 -11.674 4.362 8.205
249 1HB GLU 40 HB2 GLU 40 -9.422 4.735 9.466
250 2HB GLU 40 HB1 GLU 40 -10.414 5.576 10.658
251 1HG GLU 40 HG2 GLU 40 -11.819 3.215 10.086
252 2HG GLU 40 HG1 GLU 40 -10.129 2.723 10.202
No H/Q in entry = 252
Start of MODEL 14
1 1H GLN 1 HT1 GLN 1 -1.063 -5.156 -2.351
2 2H GLN 1 HT3 GLN 1 -0.272 -6.622 -2.031
3 3H GLN 1 HT2 GLN 1 0.531 -5.149 -1.762
4 HA GLN 1 HA GLN 1 1.447 -5.754 -3.754
5 1HB GLN 1 HB2 GLN 1 -1.251 -7.010 -4.215
6 2HB GLN 1 HB1 GLN 1 -0.169 -6.705 -5.576
7 1HG GLN 1 HG2 GLN 1 1.616 -7.867 -4.008
8 2HG GLN 1 HG1 GLN 1 0.184 -8.569 -3.256
9 1HE2 GLN 1 HE22 GLN 1 -0.764 -10.004 -6.597
10 2HE2 GLN 1 HE21 GLN 1 -1.476 -8.868 -5.556
11 H MET 2 HN MET 2 1.856 -3.905 -4.865
12 HA MET 2 HA MET 2 1.449 -1.999 -6.198
13 1HB MET 2 HB2 MET 2 -0.823 -3.671 -6.638
14 2HB MET 2 HB1 MET 2 -1.400 -2.019 -6.417
15 1HG MET 2 HG2 MET 2 0.646 -1.464 -8.027
16 2HG MET 2 HG1 MET 2 0.393 -3.133 -8.537
17 1HE MET 2 HE2 MET 2 -0.861 -3.811 -10.134
18 2HE MET 2 HE1 MET 2 -2.345 -3.984 -9.201
19 3HE MET 2 HE3 MET 2 -2.377 -3.189 -10.781
20 H PHE 3 HN PHE 3 -0.607 -0.155 -6.084
21 HA PHE 3 HA PHE 3 -0.181 1.095 -3.520
22 1HB PHE 3 HB2 PHE 3 -2.516 1.810 -5.268
23 2HB PHE 3 HB1 PHE 3 -1.434 2.870 -4.367
24 HD1 PHE 3 HD1 PHE 3 1.168 1.469 -5.293
25 HD2 PHE 3 HD2 PHE 3 -2.277 2.920 -7.408
26 HE1 PHE 3 HE1 PHE 3 2.550 1.785 -7.328
27 HE2 PHE 3 HE2 PHE 3 -0.895 3.236 -9.443
28 HZ PHE 3 HZ PHE 3 1.518 2.669 -9.403
29 H CYS 4 HN CYS 4 -0.897 -0.588 -2.002
30 HA CYS 4 HA CYS 4 -3.141 -2.085 -1.824
31 1HB CYS 4 HB2 CYS 4 -1.698 -0.502 0.222
32 2HB CYS 4 HB1 CYS 4 -3.313 -1.043 0.676
33 H ASN 5 HN ASN 5 -4.962 -1.355 -2.960
34 HA ASN 5 HA ASN 5 -6.410 0.914 -1.688
35 1HB ASN 5 HB2 ASN 5 -5.428 1.092 -4.176
36 2HB ASN 5 HB1 ASN 5 -6.917 0.218 -4.551
37 1HD2 ASN 5 HD22 ASN 5 -8.301 3.519 -4.712
38 2HD2 ASN 5 HD21 ASN 5 -7.693 2.230 -5.650
39 H GLN 6 HN GLN 6 -8.750 0.462 -3.236
40 HA GLN 6 HA GLN 6 -10.709 -0.825 -3.196
41 1HB GLN 6 HB2 GLN 6 -9.349 -2.444 -4.460
42 2HB GLN 6 HB1 GLN 6 -8.721 -3.105 -2.950
43 1HG GLN 6 HG2 GLN 6 -10.577 -4.348 -2.616
44 2HG GLN 6 HG1 GLN 6 -11.638 -2.981 -2.959
45 1HE2 GLN 6 HE22 GLN 6 -10.360 -5.129 -6.239
46 2HE2 GLN 6 HE21 GLN 6 -9.264 -4.828 -4.966
47 H THR 7 HN THR 7 -9.429 -3.388 -1.255
48 HA THR 7 HA THR 7 -10.994 -2.346 1.042
49 HB THR 7 HB THR 7 -9.712 -5.075 0.774
50 HG1 THR 7 HG1 THR 7 -11.529 -5.741 -0.217
51 1HG2 THR 7 HG21 THR 7 -12.004 -3.976 2.424
52 2HG2 THR 7 HG23 THR 7 -11.539 -5.677 2.364
53 3HG2 THR 7 HG22 THR 7 -10.425 -4.481 3.026
54 H ALA 8 HN ALA 8 -8.100 -1.665 0.099
55 HA ALA 8 HA ALA 8 -6.087 -1.084 1.135
56 1HB ALA 8 HB1 ALA 8 -8.126 -1.017 3.299
57 2HB ALA 8 HB3 ALA 8 -6.436 -1.020 3.804
58 3HB ALA 8 HB2 ALA 8 -7.036 0.251 2.739
59 H CYS 9 HN CYS 9 -4.331 -2.357 1.412
60 HA CYS 9 HA CYS 9 -4.622 -4.858 3.036
61 1HB CYS 9 HB2 CYS 9 -2.802 -5.727 1.342
62 2HB CYS 9 HB1 CYS 9 -4.509 -5.794 0.899
63 HA PRO 10 HA PRO 10 -0.954 -3.652 4.906
64 1HB PRO 10 HB2 PRO 10 0.551 -6.106 4.590
65 2HB PRO 10 HB1 PRO 10 -0.288 -5.503 6.026
66 1HG PRO 10 HG2 PRO 10 -1.103 -7.658 4.342
67 2HG PRO 10 HG1 PRO 10 -2.005 -6.957 5.695
68 1HD PRO 10 HD2 PRO 10 -2.554 -6.731 2.873
69 2HD PRO 10 HD1 PRO 10 -3.495 -6.088 4.234
70 H ALA 11 HN ALA 11 1.733 -4.467 4.570
71 HA ALA 11 HA ALA 11 2.290 -3.301 1.875
72 1HB ALA 11 HB1 ALA 11 3.129 -2.507 4.470
73 2HB ALA 11 HB3 ALA 11 4.551 -3.141 3.642
74 3HB ALA 11 HB2 ALA 11 3.623 -1.828 2.923
75 H ASP 12 HN ASP 12 2.552 -5.207 0.692
76 HA ASP 12 HA ASP 12 4.599 -7.132 1.703
77 1HB ASP 12 HB2 ASP 12 3.604 -8.521 -0.292
78 2HB ASP 12 HB1 ASP 12 2.687 -8.399 1.214
79 H CYS 13 HN CYS 13 5.622 -4.777 0.741
80 HA CYS 13 HA CYS 13 6.105 -4.349 -1.934
81 1HB CYS 13 HB2 CYS 13 7.871 -4.142 0.481
82 2HB CYS 13 HB1 CYS 13 8.577 -3.880 -1.118
83 H ASP 14 HN ASP 14 6.343 -5.959 -3.403
84 HA ASP 14 HA ASP 14 8.260 -8.164 -2.795
85 1HB ASP 14 HB2 ASP 14 5.649 -8.187 -3.813
86 2HB ASP 14 HB1 ASP 14 6.680 -8.495 -5.215
87 HA PRO 15 HA PRO 15 10.932 -6.758 -5.927
88 1HB PRO 15 HB2 PRO 15 11.478 -9.278 -7.184
89 2HB PRO 15 HB1 PRO 15 12.456 -8.435 -5.974
90 1HG PRO 15 HG2 PRO 15 10.874 -10.815 -5.614
91 2HG PRO 15 HG1 PRO 15 11.861 -9.973 -4.412
92 1HD PRO 15 HD2 PRO 15 8.988 -10.049 -4.594
93 2HD PRO 15 HD1 PRO 15 9.983 -9.207 -3.391
94 H ASN 16 HN ASN 16 8.638 -9.219 -7.117
95 HA ASN 16 HA ASN 16 8.714 -8.112 -9.838
96 1HB ASN 16 HB2 ASN 16 6.979 -10.249 -8.561
97 2HB ASN 16 HB1 ASN 16 6.923 -9.813 -10.269
98 1HD2 ASN 16 HD22 ASN 16 10.150 -11.913 -8.836
99 2HD2 ASN 16 HD21 ASN 16 9.110 -11.115 -7.744
100 H THR 17 HN THR 17 7.520 -6.848 -7.147
101 HA THR 17 HA THR 17 5.594 -5.186 -8.497
102 HB THR 17 HB THR 17 4.231 -7.264 -8.233
103 HG1 THR 17 HG1 THR 17 2.504 -6.193 -7.169
104 1HG2 THR 17 HG21 THR 17 5.426 -7.187 -5.620
105 2HG2 THR 17 HG23 THR 17 3.672 -7.154 -5.462
106 3HG2 THR 17 HG22 THR 17 4.453 -8.462 -6.349
107 H GLN 18 HN GLN 18 7.337 -3.875 -7.387
108 HA GLN 18 HA GLN 18 7.687 -3.725 -4.597
109 1HB GLN 18 HB2 GLN 18 7.912 -1.682 -6.800
110 2HB GLN 18 HB1 GLN 18 8.175 -1.220 -5.118
111 1HG GLN 18 HG2 GLN 18 9.905 -2.956 -4.897
112 2HG GLN 18 HG1 GLN 18 9.636 -3.447 -6.570
113 1HE2 GLN 18 HE22 GLN 18 11.784 -0.059 -5.773
114 2HE2 GLN 18 HE21 GLN 18 10.949 -0.863 -4.520
115 H ALA 19 HN ALA 19 6.385 -0.687 -5.531
116 HA ALA 19 HA ALA 19 4.660 0.515 -4.459
117 1HB ALA 19 HB3 ALA 19 3.560 -0.591 -6.412
118 2HB ALA 19 HB2 ALA 19 3.117 -1.935 -5.360
119 3HB ALA 19 HB1 ALA 19 2.454 -0.328 -5.064
120 H SER 20 HN SER 20 2.369 -1.620 -3.480
121 HA SER 20 HA SER 20 1.711 -2.152 -1.274
122 1HB SER 20 HB2 SER 20 4.394 -3.474 -1.672
123 2HB SER 20 HB1 SER 20 3.439 -3.740 -0.216
124 HG SER 20 HG SER 20 2.977 -4.518 -2.851
125 H CYS 21 HN CYS 21 4.634 -2.425 0.296
126 HA CYS 21 HA CYS 21 4.115 -0.287 2.081
127 1HB CYS 21 HB2 CYS 21 6.217 -0.719 3.073
128 2HB CYS 21 HB1 CYS 21 5.707 -2.281 2.431
129 H GLU 22 HN GLU 22 6.614 1.168 2.168
130 HA GLU 22 HA GLU 22 7.208 3.322 1.368
131 1HB GLU 22 HB2 GLU 22 8.083 3.184 -1.024
132 2HB GLU 22 HB1 GLU 22 8.788 2.023 0.101
133 1HG GLU 22 HG2 GLU 22 7.265 0.288 -0.688
134 2HG GLU 22 HG1 GLU 22 6.473 1.440 -1.760
135 H CYS 23 HN CYS 23 4.438 2.645 1.363
136 HA CYS 23 HA CYS 23 2.518 2.893 -0.209
137 1HB CYS 23 HB2 CYS 23 3.284 5.033 1.707
138 2HB CYS 23 HB1 CYS 23 1.904 5.334 0.651
139 HA PRO 24 HA PRO 24 3.252 4.444 -4.258
140 1HB PRO 24 HB2 PRO 24 0.623 5.762 -3.704
141 2HB PRO 24 HB1 PRO 24 1.120 4.787 -5.102
142 1HG PRO 24 HG2 PRO 24 -0.471 3.824 -3.083
143 2HG PRO 24 HG1 PRO 24 0.580 2.797 -4.069
144 1HD PRO 24 HD2 PRO 24 0.861 3.521 -1.250
145 2HD PRO 24 HD1 PRO 24 1.723 2.275 -2.172
146 H GLU 25 HN GLU 25 4.967 5.858 -3.506
147 HA GLU 25 HA GLU 25 5.660 7.972 -2.406
148 1HB GLU 25 HB2 GLU 25 5.648 9.461 -4.616
149 2HB GLU 25 HB1 GLU 25 6.707 8.061 -4.447
150 1HG GLU 25 HG2 GLU 25 3.985 7.472 -5.453
151 2HG GLU 25 HG1 GLU 25 5.006 8.411 -6.542
152 H GLY 26 HN GLY 26 3.519 8.213 -1.142
153 1HA GLY 26 HA2 GLY 26 2.584 10.559 -0.613
154 2HA GLY 26 HA1 GLY 26 1.943 10.488 -2.258
155 H TYR 27 HN TYR 27 1.842 7.371 -1.179
156 HA TYR 27 HA TYR 27 -1.031 7.456 -0.857
157 1HB TYR 27 HB2 TYR 27 0.835 5.452 -1.390
158 2HB TYR 27 HB1 TYR 27 0.163 5.030 0.192
159 HD1 TYR 27 HD1 TYR 27 -1.131 6.526 -3.004
160 HD2 TYR 27 HD2 TYR 27 -1.688 3.626 0.116
161 HE1 TYR 27 HE1 TYR 27 -3.227 5.763 -4.088
162 HE2 TYR 27 HE2 TYR 27 -3.783 2.862 -0.969
163 HH TYR 27 HH TYR 27 -4.678 3.871 -4.153
164 H ILE 28 HN ILE 28 1.731 7.443 1.284
165 HA ILE 28 HA ILE 28 1.923 7.878 3.563
166 HB ILE 28 HB ILE 28 -0.866 8.805 2.984
167 1HG1 ILE 28 HG12 ILE 28 0.390 10.810 4.239
168 2HG1 ILE 28 HG11 ILE 28 1.810 9.905 3.698
169 1HG2 ILE 28 HG22 ILE 28 0.252 8.130 5.678
170 2HG2 ILE 28 HG21 ILE 28 -0.680 9.619 5.516
171 3HG2 ILE 28 HG23 ILE 28 -1.417 8.068 5.113
172 1HD1 ILE 28 HD12 ILE 28 -0.162 10.078 1.578
173 2HD1 ILE 28 HD11 ILE 28 0.264 11.686 2.163
174 3HD1 ILE 28 HD13 ILE 28 1.523 10.600 1.574
175 H LEU 29 HN LEU 29 2.385 5.960 4.515
176 HA LEU 29 HA LEU 29 0.719 3.675 4.663
177 1HB LEU 29 HB2 LEU 29 3.219 4.602 5.866
178 2HB LEU 29 HB1 LEU 29 2.274 3.604 6.977
179 HG LEU 29 HG LEU 29 2.872 2.837 4.119
180 1HD1 LEU 29 HD13 LEU 29 4.239 1.991 6.691
181 2HD1 LEU 29 HD12 LEU 29 4.486 1.216 5.126
182 3HD1 LEU 29 HD11 LEU 29 4.971 2.895 5.365
183 1HD2 LEU 29 HD23 LEU 29 1.623 1.456 6.503
184 2HD2 LEU 29 HD22 LEU 29 0.938 1.693 4.896
185 3HD2 LEU 29 HD21 LEU 29 2.255 0.545 5.129
186 H ASP 30 HN ASP 30 0.561 3.016 7.377
187 HA ASP 30 HA ASP 30 -0.854 5.119 8.833
188 1HB ASP 30 HB2 ASP 30 -2.436 3.918 7.039
189 2HB ASP 30 HB1 ASP 30 -2.538 2.705 8.316
190 H ASP 31 HN ASP 31 -1.518 4.298 11.010
191 HA ASP 31 HA ASP 31 0.438 2.881 12.361
192 1HB ASP 31 HB2 ASP 31 -1.883 4.007 13.141
193 2HB ASP 31 HB1 ASP 31 -2.353 2.309 13.232
194 H GLY 32 HN GLY 32 1.252 0.967 11.598
195 1HA GLY 32 HA2 GLY 32 0.743 -1.513 11.920
196 2HA GLY 32 HA1 GLY 32 -0.712 -1.201 10.975
197 H PHE 33 HN PHE 33 1.909 0.655 9.904
198 HA PHE 33 HA PHE 33 3.085 0.572 7.878
199 1HB PHE 33 HB2 PHE 33 3.317 -2.223 8.975
200 2HB PHE 33 HB1 PHE 33 3.998 -1.829 7.393
201 HD1 PHE 33 HD1 PHE 33 5.805 -0.163 7.175
202 HD2 PHE 33 HD2 PHE 33 4.266 -1.319 11.015
203 HE1 PHE 33 HE1 PHE 33 7.781 0.858 8.274
204 HE2 PHE 33 HE2 PHE 33 6.241 -0.298 12.114
205 HZ PHE 33 HZ PHE 33 7.998 0.790 10.744
206 H ILE 34 HN ILE 34 0.069 -0.148 8.028
207 HA ILE 34 HA ILE 34 -0.176 -1.832 5.607
208 HB ILE 34 HB ILE 34 -2.371 -0.450 7.166
209 1HG1 ILE 34 HG12 ILE 34 -1.208 -2.048 8.620
210 2HG1 ILE 34 HG11 ILE 34 -2.776 -2.710 8.147
211 1HG2 ILE 34 HG21 ILE 34 -2.654 -1.213 4.702
212 2HG2 ILE 34 HG23 ILE 34 -2.589 -2.853 5.347
213 3HG2 ILE 34 HG22 ILE 34 -3.865 -1.750 5.866
214 1HD1 ILE 34 HD12 ILE 34 -0.207 -3.336 6.674
215 2HD1 ILE 34 HD11 ILE 34 -0.832 -4.333 7.986
216 3HD1 ILE 34 HD13 ILE 34 -1.768 -4.139 6.505
217 H CYS 35 HN CYS 35 -0.341 -0.948 3.630
218 HA CYS 35 HA CYS 35 -0.491 1.996 3.448
219 1HB CYS 35 HB2 CYS 35 1.106 0.459 2.102
220 2HB CYS 35 HB1 CYS 35 -0.307 0.112 1.107
221 H THR 36 HN THR 36 -2.242 3.090 2.502
222 HA THR 36 HA THR 36 -4.314 1.891 0.969
223 HB THR 36 HB THR 36 -5.159 0.618 2.716
224 HG1 THR 36 HG1 THR 36 -6.836 1.950 3.743
225 1HG2 THR 36 HG21 THR 36 -3.863 2.710 4.394
226 2HG2 THR 36 HG23 THR 36 -5.235 1.854 5.097
227 3HG2 THR 36 HG22 THR 36 -3.819 0.954 4.552
228 H ASP 37 HN ASP 37 -6.424 3.369 1.200
229 HA ASP 37 HA ASP 37 -6.019 6.052 2.203
230 1HB ASP 37 HB2 ASP 37 -4.626 5.653 -0.088
231 2HB ASP 37 HB1 ASP 37 -6.190 6.118 -0.761
232 H ILE 38 HN ILE 38 -7.634 4.265 -0.441
233 HA ILE 38 HA ILE 38 -9.969 5.660 -0.738
234 HB ILE 38 HB ILE 38 -9.055 3.229 -1.511
235 1HG1 ILE 38 HG12 ILE 38 -10.931 4.960 -2.330
236 2HG1 ILE 38 HG11 ILE 38 -10.745 3.353 -3.027
237 1HG2 ILE 38 HG23 ILE 38 -9.749 2.119 0.569
238 2HG2 ILE 38 HG22 ILE 38 -11.409 2.655 0.310
239 3HG2 ILE 38 HG21 ILE 38 -10.669 1.507 -0.806
240 1HD1 ILE 38 HD11 ILE 38 -12.609 3.960 -0.714
241 2HD1 ILE 38 HD13 ILE 38 -13.124 3.965 -2.402
242 3HD1 ILE 38 HD12 ILE 38 -12.534 2.476 -1.664
243 H ASP 39 HN ASP 39 -11.570 6.322 0.612
244 HA ASP 39 HA ASP 39 -12.776 6.587 2.615
245 1HB ASP 39 HB2 ASP 39 -13.231 4.058 1.551
246 2HB ASP 39 HB1 ASP 39 -12.855 3.731 3.246
247 H GLU 40 HN GLU 40 -10.765 7.459 3.641
248 HA GLU 40 HA GLU 40 -9.151 5.664 5.276
249 1HB GLU 40 HB2 GLU 40 -8.186 7.787 6.173
250 2HB GLU 40 HB1 GLU 40 -8.157 7.720 4.411
251 1HG GLU 40 HG2 GLU 40 -9.861 9.288 4.184
252 2HG GLU 40 HG1 GLU 40 -10.530 8.942 5.779
No H/Q in entry = 252